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 1jyn_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM 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 0.000 176.093 176.300 -0.345 0.000 0.893 13 R CA 0.000 55.973 56.100 -0.211 0.000 0.921 13 R CB 0.000 30.175 30.300 -0.208 0.000 0.687 14 R N 1.610 121.781 120.500 -0.549 0.000 3.657 14 R HA 0.100 4.448 4.340 0.012 0.000 0.220 14 R C -0.142 175.568 176.300 -0.983 0.000 1.548 14 R CA -0.236 55.099 56.100 -1.275 0.000 1.465 14 R CB 0.129 29.885 30.300 -0.908 0.000 1.330 14 R HN 0.480 nan 8.270 nan 0.000 0.707 15 D N 0.879 120.945 120.400 -0.556 0.000 2.309 15 D HA -0.171 4.476 4.640 0.012 0.000 0.212 15 D C 1.223 177.443 176.300 -0.134 0.000 0.968 15 D CA 1.017 54.795 54.000 -0.370 0.000 0.882 15 D CB 0.157 40.598 40.800 -0.598 0.000 0.918 15 D HN 0.639 nan 8.370 nan 0.000 0.503 16 W N 1.094 122.426 121.300 0.054 0.000 3.292 16 W HA 0.226 4.894 4.660 0.012 0.000 0.263 16 W C 0.442 177.060 176.519 0.165 0.000 1.318 16 W CA -0.344 57.135 57.345 0.224 0.000 1.663 16 W CB -0.216 29.420 29.460 0.293 0.000 1.114 16 W HN -0.206 nan 8.180 nan 0.000 0.706 17 E N 1.336 121.390 120.200 -0.243 0.000 3.385 17 E HA 0.059 4.416 4.350 0.012 0.000 0.206 17 E C -0.767 175.678 176.600 -0.259 0.000 0.997 17 E CA -0.225 56.062 56.400 -0.188 0.000 1.278 17 E CB -0.176 29.382 29.700 -0.238 0.000 1.165 17 E HN 0.021 nan 8.360 nan 0.000 0.452 18 N N 0.987 119.575 118.700 -0.185 0.000 2.629 18 N HA 0.128 4.875 4.740 0.012 0.000 0.277 18 N C -2.422 172.947 175.510 -0.235 0.000 1.188 18 N CA -1.849 51.054 53.050 -0.245 0.000 0.835 18 N CB 1.452 39.804 38.487 -0.225 0.000 1.420 18 N HN -0.158 nan 8.380 nan 0.000 0.542 19 P HA 0.092 nan 4.420 nan 0.000 0.234 19 P C 1.032 178.095 177.300 -0.394 0.000 1.167 19 P CA 0.543 63.322 63.100 -0.536 0.000 0.763 19 P CB 0.119 31.013 31.700 -1.343 0.000 0.835 20 G N -0.553 108.060 108.800 -0.312 0.000 2.813 20 G HA2 0.084 4.052 3.960 0.012 0.000 0.209 20 G HA3 0.084 4.052 3.960 0.012 0.000 0.209 20 G C 0.218 175.038 174.900 -0.134 0.000 1.150 20 G CA 0.162 45.130 45.100 -0.220 0.000 0.785 20 G HN 0.202 nan 8.290 nan 0.000 0.535 21 V N 1.660 121.513 119.914 -0.102 0.000 2.325 21 V HA 0.293 4.420 4.120 0.012 0.000 0.280 21 V C 0.825 176.971 176.094 0.087 0.000 1.016 21 V CA 0.084 62.372 62.300 -0.019 0.000 0.818 21 V CB 1.255 33.048 31.823 -0.050 0.000 1.019 21 V HN 0.319 nan 8.190 nan 0.000 0.434 22 T N 0.704 115.307 114.554 0.081 0.000 3.023 22 T HA 0.366 4.723 4.350 0.012 0.000 0.253 22 T C 0.248 175.004 174.700 0.093 0.000 1.038 22 T CA 0.067 62.223 62.100 0.094 0.000 0.962 22 T CB 0.313 69.189 68.868 0.014 0.000 1.018 22 T HN 0.685 nan 8.240 nan 0.000 0.521 23 Q N 0.175 120.070 119.800 0.157 0.000 2.776 23 Q HA 0.677 5.025 4.340 0.012 0.000 0.289 23 Q C -2.241 173.887 176.000 0.213 0.000 0.912 23 Q CA -1.045 54.844 55.803 0.144 0.000 0.789 23 Q CB 0.876 29.615 28.738 0.002 0.000 1.498 23 Q HN 0.211 nan 8.270 nan 0.000 0.408 24 L N 1.705 123.075 121.223 0.244 0.000 2.438 24 L HA 0.607 4.954 4.340 0.012 0.000 0.270 24 L C -0.590 176.383 176.870 0.172 0.000 0.972 24 L CA -0.843 54.136 54.840 0.232 0.000 0.831 24 L CB 1.880 44.182 42.059 0.406 0.000 1.273 24 L HN 0.851 nan 8.230 nan 0.000 0.405 25 N N 0.905 119.685 118.700 0.134 0.000 2.800 25 N HA -0.207 4.541 4.740 0.012 0.000 0.250 25 N C 0.164 175.761 175.510 0.145 0.000 1.078 25 N CA 0.809 53.934 53.050 0.125 0.000 0.804 25 N CB -0.794 37.722 38.487 0.049 0.000 1.135 25 N HN 0.651 nan 8.380 nan 0.000 0.565 26 R N 1.044 121.550 120.500 0.010 0.000 2.390 26 R HA 0.395 4.743 4.340 0.012 0.000 0.291 26 R C 0.543 176.713 176.300 -0.216 0.000 1.070 26 R CA -0.349 55.553 56.100 -0.331 0.000 1.014 26 R CB 0.538 30.625 30.300 -0.355 0.000 1.007 26 R HN 0.122 nan 8.270 nan 0.000 0.466 27 L N 3.003 124.068 121.223 -0.263 0.000 2.466 27 L HA 0.302 4.649 4.340 0.012 0.000 0.257 27 L C 0.711 177.532 176.870 -0.081 0.000 1.189 27 L CA -0.546 54.231 54.840 -0.105 0.000 0.813 27 L CB 0.667 42.695 42.059 -0.052 0.000 1.118 27 L HN 0.769 nan 8.230 nan 0.000 0.471 28 A N 1.163 123.978 122.820 -0.009 0.000 2.483 28 A HA 0.471 4.799 4.320 0.012 0.000 0.238 28 A C 0.295 177.884 177.584 0.009 0.000 1.070 28 A CA 0.068 52.107 52.037 0.003 0.000 0.770 28 A CB 0.111 19.138 19.000 0.044 0.000 1.008 28 A HN 0.790 nan 8.150 nan 0.000 0.497 29 A N 1.298 124.075 122.820 -0.072 0.000 2.332 29 A HA 0.704 5.031 4.320 0.012 0.000 0.258 29 A C 0.074 177.561 177.584 -0.162 0.000 1.087 29 A CA 0.400 52.309 52.037 -0.213 0.000 0.802 29 A CB -0.001 18.880 19.000 -0.198 0.000 1.042 29 A HN 1.832 nan 8.150 nan 0.000 0.489 30 H N -2.392 116.520 119.070 -0.263 0.000 2.950 30 H HA 0.628 5.191 4.556 0.012 0.000 0.307 30 H C -3.372 171.677 175.328 -0.466 0.000 1.403 30 H CA -1.827 54.009 56.048 -0.354 0.000 1.145 30 H CB 0.053 29.488 29.762 -0.544 0.000 1.844 30 H HN 0.389 nan 8.280 nan 0.000 0.515 31 P HA 0.213 nan 4.420 nan 0.000 0.275 31 P C -2.566 174.609 177.300 -0.208 0.000 1.266 31 P CA -1.477 61.443 63.100 -0.300 0.000 0.793 31 P CB -0.325 31.115 31.700 -0.434 0.000 1.074 32 P HA 0.041 nan 4.420 nan 0.000 0.261 32 P C -0.847 176.676 177.300 0.371 0.000 1.183 32 P CA 1.133 64.291 63.100 0.097 0.000 0.761 32 P CB -0.136 31.645 31.700 0.135 0.000 0.785 33 F N 1.900 121.953 119.950 0.171 0.000 2.556 33 F HA 0.657 5.191 4.527 0.012 0.000 0.327 33 F C 0.936 176.681 175.800 -0.091 0.000 1.059 33 F CA -1.438 56.609 58.000 0.078 0.000 0.953 33 F CB 1.310 40.317 39.000 0.011 0.000 1.227 33 F HN 0.283 nan 8.300 nan 0.000 0.478 34 A N -0.121 122.658 122.820 -0.067 0.000 2.664 34 A HA 0.335 4.662 4.320 0.012 0.000 0.222 34 A C 0.591 177.898 177.584 -0.461 0.000 1.320 34 A CA 0.632 52.399 52.037 -0.451 0.000 1.029 34 A CB -0.344 17.977 19.000 -1.132 0.000 1.318 34 A HN 0.941 nan 8.150 nan 0.000 0.589 35 S N 0.431 115.960 115.700 -0.284 0.000 3.608 35 S HA -0.146 4.332 4.470 0.012 0.000 0.382 35 S C 0.012 174.546 174.600 -0.109 0.000 0.945 35 S CA 0.493 58.583 58.200 -0.184 0.000 1.256 35 S CB -1.635 61.460 63.200 -0.174 0.000 0.913 35 S HN 0.471 nan 8.310 nan 0.000 0.518 36 W N 1.748 123.024 121.300 -0.040 0.000 2.137 36 W HA 0.270 4.937 4.660 0.012 0.000 0.344 36 W C 1.412 177.905 176.519 -0.043 0.000 1.286 36 W CA -0.576 56.750 57.345 -0.030 0.000 1.240 36 W CB 0.241 29.683 29.460 -0.029 0.000 1.141 36 W HN 0.354 nan 8.180 nan 0.000 0.579 37 R N 1.629 122.248 120.500 0.199 0.000 2.543 37 R HA 0.096 4.443 4.340 0.012 0.000 0.323 37 R C -0.077 176.270 176.300 0.078 0.000 1.002 37 R CA -0.118 56.040 56.100 0.097 0.000 1.106 37 R CB -0.110 30.217 30.300 0.045 0.000 1.280 37 R HN 0.371 nan 8.270 nan 0.000 0.549 38 N N 0.064 118.820 118.700 0.094 0.000 2.425 38 N HA 0.106 4.854 4.740 0.012 0.000 0.289 38 N C -0.109 175.364 175.510 -0.062 0.000 1.074 38 N CA -0.019 53.038 53.050 0.012 0.000 0.905 38 N CB 1.921 40.416 38.487 0.013 0.000 1.586 38 N HN -0.250 nan 8.380 nan 0.000 0.490 39 S N 2.339 117.981 115.700 -0.098 0.000 2.399 39 S HA -0.161 4.317 4.470 0.012 0.000 0.231 39 S C 1.388 175.810 174.600 -0.295 0.000 1.022 39 S CA 1.140 59.238 58.200 -0.169 0.000 0.983 39 S CB 0.001 63.135 63.200 -0.110 0.000 0.803 39 S HN 0.773 nan 8.310 nan 0.000 0.480 40 E N 1.569 121.616 120.200 -0.256 0.000 2.152 40 E HA -0.104 4.254 4.350 0.012 0.000 0.192 40 E C 1.792 178.172 176.600 -0.366 0.000 0.983 40 E CA 0.929 57.137 56.400 -0.319 0.000 0.818 40 E CB -0.111 29.459 29.700 -0.218 0.000 0.758 40 E HN 0.295 nan 8.360 nan 0.000 0.467 41 E N 0.168 120.162 120.200 -0.344 0.000 2.150 41 E HA -0.095 4.262 4.350 0.012 0.000 0.193 41 E C 1.945 177.962 176.600 -0.970 0.000 0.985 41 E CA 1.015 57.174 56.400 -0.402 0.000 0.814 41 E CB -0.323 29.280 29.700 -0.162 0.000 0.752 41 E HN 0.395 nan 8.360 nan 0.000 0.466 42 A N 1.588 123.633 122.820 -1.291 0.000 1.898 42 A HA -0.161 4.166 4.320 0.012 0.000 0.216 42 A C 2.237 179.216 177.584 -1.008 0.000 1.181 42 A CA 1.456 52.396 52.037 -1.829 0.000 0.620 42 A CB -0.451 18.017 19.000 -0.887 0.000 0.819 42 A HN 0.113 nan 8.150 nan 0.000 0.442 43 R N -0.110 119.981 120.500 -0.681 0.000 2.091 43 R HA -0.140 4.208 4.340 0.012 0.000 0.238 43 R C 1.995 178.031 176.300 -0.440 0.000 1.136 43 R CA 2.105 57.861 56.100 -0.573 0.000 0.959 43 R CB -0.498 29.347 30.300 -0.759 0.000 0.856 43 R HN 0.621 nan 8.270 nan 0.000 0.437 44 T N -2.496 111.815 114.554 -0.405 0.000 3.148 44 T HA 0.025 4.382 4.350 0.012 0.000 0.253 44 T C 0.329 174.933 174.700 -0.160 0.000 1.134 44 T CA 0.628 62.581 62.100 -0.244 0.000 1.051 44 T CB 0.006 68.758 68.868 -0.192 0.000 0.959 44 T HN 0.380 nan 8.240 nan 0.000 0.525 45 D N 0.614 120.876 120.400 -0.229 0.000 3.012 45 D HA -0.165 4.482 4.640 0.012 0.000 0.222 45 D C 0.162 176.575 176.300 0.187 0.000 1.167 45 D CA 0.544 54.563 54.000 0.032 0.000 0.854 45 D CB -1.029 39.839 40.800 0.114 0.000 1.107 45 D HN 0.606 nan 8.370 nan 0.000 0.421 46 R N 0.004 120.570 120.500 0.111 0.000 2.649 46 R HA 0.462 4.809 4.340 0.012 0.000 0.270 46 R C -2.094 174.466 176.300 0.432 0.000 1.105 46 R CA -1.241 54.984 56.100 0.209 0.000 1.193 46 R CB 0.083 30.445 30.300 0.104 0.000 1.120 46 R HN 0.073 nan 8.270 nan 0.000 0.561 47 P HA -0.025 nan 4.420 nan 0.000 0.269 47 P C -0.816 176.642 177.300 0.264 0.000 1.215 47 P CA 0.089 63.330 63.100 0.234 0.000 0.780 47 P CB 0.751 32.537 31.700 0.142 0.000 0.898 48 S N 0.771 116.503 115.700 0.053 0.000 2.454 48 S HA 0.145 4.623 4.470 0.012 0.000 0.306 48 S C 0.858 175.468 174.600 0.016 0.000 1.100 48 S CA -0.527 57.634 58.200 -0.065 0.000 1.087 48 S CB 0.614 63.449 63.200 -0.608 0.000 1.019 48 S HN 0.319 nan 8.310 nan 0.000 0.480 49 Q N 2.098 121.945 119.800 0.080 0.000 2.437 49 Q HA -0.064 4.284 4.340 0.012 0.000 0.210 49 Q C 0.648 176.761 176.000 0.188 0.000 0.972 49 Q CA 1.020 56.904 55.803 0.134 0.000 0.903 49 Q CB 0.062 28.878 28.738 0.131 0.000 0.967 49 Q HN 0.676 nan 8.270 nan 0.000 0.486 50 Q N -0.302 119.525 119.800 0.046 0.000 2.360 50 Q HA 0.102 4.449 4.340 0.012 0.000 0.202 50 Q C -0.458 175.586 176.000 0.072 0.000 0.915 50 Q CA 0.201 55.987 55.803 -0.028 0.000 0.943 50 Q CB 0.509 29.142 28.738 -0.175 0.000 1.064 50 Q HN 0.040 nan 8.270 nan 0.000 0.511 51 L N 0.801 122.078 121.223 0.090 0.000 2.353 51 L HA 0.444 4.792 4.340 0.012 0.000 0.270 51 L C -1.115 175.838 176.870 0.138 0.000 1.003 51 L CA -0.366 54.528 54.840 0.090 0.000 0.862 51 L CB 0.900 42.922 42.059 -0.061 0.000 1.221 51 L HN -0.100 nan 8.230 nan 0.000 0.430 52 R N 2.323 122.941 120.500 0.196 0.000 2.668 52 R HA 0.647 4.994 4.340 0.012 0.000 0.279 52 R C -0.564 175.759 176.300 0.038 0.000 0.976 52 R CA -0.793 55.367 56.100 0.101 0.000 0.978 52 R CB 1.975 32.301 30.300 0.044 0.000 1.133 52 R HN 0.633 nan 8.270 nan 0.000 0.484 53 S N 1.318 117.029 115.700 0.017 0.000 2.525 53 S HA 0.320 4.798 4.470 0.012 0.000 0.290 53 S C 0.472 175.065 174.600 -0.012 0.000 1.152 53 S CA -0.689 57.511 58.200 0.000 0.000 1.072 53 S CB 0.631 63.843 63.200 0.020 0.000 1.027 53 S HN 0.550 nan 8.310 nan 0.000 0.500 54 L N 3.421 124.632 121.223 -0.021 0.000 2.769 54 L HA 0.304 4.651 4.340 0.012 0.000 0.240 54 L C 0.176 177.173 176.870 0.212 0.000 1.163 54 L CA -0.333 54.511 54.840 0.007 0.000 0.962 54 L CB -0.271 41.727 42.059 -0.101 0.000 1.258 54 L HN 0.529 nan 8.230 nan 0.000 0.513 55 N N 1.099 119.882 118.700 0.138 0.000 2.415 55 N HA 0.478 5.225 4.740 0.012 0.000 0.248 55 N C 0.646 176.292 175.510 0.227 0.000 1.271 55 N CA 1.022 54.173 53.050 0.169 0.000 0.913 55 N CB 1.147 39.665 38.487 0.052 0.000 1.129 55 N HN 0.283 nan 8.380 nan 0.000 0.444 56 G N -0.026 108.929 108.800 0.258 0.000 2.260 56 G HA2 -0.078 3.889 3.960 0.012 0.000 0.250 56 G HA3 -0.078 3.889 3.960 0.012 0.000 0.250 56 G C -1.561 173.562 174.900 0.371 0.000 1.340 56 G CA -0.807 44.435 45.100 0.237 0.000 1.056 56 G HN 0.466 nan 8.290 nan 0.000 0.471 57 E N -0.019 120.354 120.200 0.288 0.000 2.259 57 E HA 0.449 4.806 4.350 0.012 0.000 0.281 57 E C -0.943 175.893 176.600 0.393 0.000 1.037 57 E CA -0.012 56.570 56.400 0.304 0.000 0.854 57 E CB 0.960 30.758 29.700 0.163 0.000 1.051 57 E HN 0.357 nan 8.360 nan 0.000 0.409 58 W N 1.613 123.002 121.300 0.149 0.000 2.894 58 W HA 0.404 5.071 4.660 0.012 0.000 0.345 58 W C 0.126 176.772 176.519 0.211 0.000 1.152 58 W CA -0.722 56.744 57.345 0.201 0.000 1.089 58 W CB 0.860 30.498 29.460 0.297 0.000 1.454 58 W HN 0.183 nan 8.180 nan 0.000 0.589 59 R N 1.426 122.205 120.500 0.465 0.000 2.532 59 R HA 0.625 4.972 4.340 0.012 0.000 0.295 59 R C -1.565 174.980 176.300 0.408 0.000 0.968 59 R CA -0.926 55.383 56.100 0.349 0.000 0.916 59 R CB 1.543 31.991 30.300 0.247 0.000 1.124 59 R HN 0.493 nan 8.270 nan 0.000 0.463 60 F N 0.369 120.359 119.950 0.067 0.000 2.596 60 F HA 0.613 5.148 4.527 0.012 0.000 0.311 60 F C -1.617 174.030 175.800 -0.255 0.000 1.116 60 F CA -0.575 57.325 58.000 -0.167 0.000 0.957 60 F CB 1.936 40.722 39.000 -0.355 0.000 1.250 60 F HN 0.619 nan 8.300 nan 0.000 0.444 61 A N 4.646 126.743 122.820 -1.206 0.000 2.393 61 A HA 0.587 4.914 4.320 0.012 0.000 0.306 61 A C -2.327 174.353 177.584 -1.507 0.000 1.050 61 A CA -0.565 50.845 52.037 -1.046 0.000 0.724 61 A CB 0.792 19.467 19.000 -0.542 0.000 1.248 61 A HN 0.972 nan 8.150 nan 0.000 0.424 62 W N 2.859 123.343 121.300 -1.360 0.000 2.469 62 W HA 0.724 5.391 4.660 0.012 0.000 0.320 62 W C -1.815 174.109 176.519 -0.991 0.000 1.086 62 W CA -0.351 56.347 57.345 -1.078 0.000 1.211 62 W CB 0.926 30.012 29.460 -0.623 0.000 1.298 62 W HN 0.496 nan 8.180 nan 0.000 0.525 63 F N 6.273 125.595 119.950 -1.046 0.000 2.577 63 F HA 0.391 4.925 4.527 0.012 0.000 0.318 63 F C -1.273 173.651 175.800 -1.460 0.000 1.065 63 F CA -2.325 55.148 58.000 -0.877 0.000 0.929 63 F CB 1.843 40.463 39.000 -0.634 0.000 1.237 63 F HN 0.218 nan 8.300 nan 0.000 0.468 64 P HA 0.149 nan 4.420 nan 0.000 0.236 64 P C -0.428 176.724 177.300 -0.247 0.000 1.177 64 P CA 0.744 63.524 63.100 -0.533 0.000 0.773 64 P CB 0.738 32.429 31.700 -0.015 0.000 0.878 65 A N -0.199 122.493 122.820 -0.214 0.000 2.599 65 A HA 0.506 4.834 4.320 0.012 0.000 0.294 65 A C -2.479 174.994 177.584 -0.185 0.000 1.055 65 A CA -0.950 51.016 52.037 -0.118 0.000 0.683 65 A CB 0.502 19.496 19.000 -0.010 0.000 1.278 65 A HN -0.299 nan 8.150 nan 0.000 0.412 66 P HA -0.081 nan 4.420 nan 0.000 0.220 66 P C 0.674 177.864 177.300 -0.184 0.000 1.148 66 P CA 1.342 64.289 63.100 -0.254 0.000 0.803 66 P CB 0.273 31.781 31.700 -0.320 0.000 0.782 67 E N 0.127 120.282 120.200 -0.075 0.000 2.338 67 E HA -0.034 4.324 4.350 0.012 0.000 0.197 67 E C 1.955 178.488 176.600 -0.112 0.000 1.007 67 E CA 1.018 57.389 56.400 -0.047 0.000 0.849 67 E CB -0.833 28.877 29.700 0.017 0.000 0.774 67 E HN 0.236 nan 8.360 nan 0.000 0.506 68 A N 0.221 122.941 122.820 -0.167 0.000 2.251 68 A HA 0.111 4.438 4.320 0.012 0.000 0.209 68 A C 0.689 178.005 177.584 -0.447 0.000 1.187 68 A CA -0.163 51.780 52.037 -0.157 0.000 0.823 68 A CB 0.344 19.351 19.000 0.011 0.000 0.846 68 A HN 0.039 nan 8.150 nan 0.000 0.486 69 V N 3.429 122.922 119.914 -0.702 0.000 2.470 69 V HA 0.190 4.318 4.120 0.012 0.000 0.276 69 V C -1.995 173.739 176.094 -0.601 0.000 1.040 69 V CA -1.344 60.270 62.300 -1.142 0.000 1.008 69 V CB 0.673 31.912 31.823 -0.973 0.000 0.990 69 V HN 0.369 nan 8.190 nan 0.000 0.477 70 P HA 0.124 nan 4.420 nan 0.000 0.275 70 P C 0.743 177.981 177.300 -0.103 0.000 1.227 70 P CA -0.304 62.684 63.100 -0.186 0.000 0.781 70 P CB 0.791 32.444 31.700 -0.078 0.000 0.906 71 E N 2.183 122.338 120.200 -0.075 0.000 2.209 71 E HA -0.211 4.147 4.350 0.012 0.000 0.196 71 E C 1.198 177.777 176.600 -0.035 0.000 0.993 71 E CA 1.767 58.131 56.400 -0.060 0.000 0.819 71 E CB -0.231 29.438 29.700 -0.051 0.000 0.745 71 E HN 0.454 nan 8.360 nan 0.000 0.477 72 S N 0.130 115.828 115.700 -0.003 0.000 2.419 72 S HA -0.198 4.280 4.470 0.012 0.000 0.233 72 S C 1.638 176.258 174.600 0.034 0.000 1.016 72 S CA 0.814 59.019 58.200 0.008 0.000 0.974 72 S CB -1.024 62.191 63.200 0.025 0.000 0.786 72 S HN 0.652 nan 8.310 nan 0.000 0.492 73 W N 2.468 123.672 121.300 -0.160 0.000 2.364 73 W HA -0.001 4.667 4.660 0.012 0.000 0.281 73 W C 1.536 177.936 176.519 -0.199 0.000 1.219 73 W CA 0.916 58.162 57.345 -0.165 0.000 1.220 73 W CB -0.302 29.034 29.460 -0.208 0.000 1.127 73 W HN 0.255 nan 8.180 nan 0.000 0.556 74 L N 0.241 121.259 121.223 -0.341 0.000 2.141 74 L HA -0.133 4.214 4.340 0.012 0.000 0.209 74 L C 2.329 178.976 176.870 -0.372 0.000 1.094 74 L CA 1.221 55.693 54.840 -0.613 0.000 0.763 74 L CB -0.642 41.093 42.059 -0.541 0.000 0.908 74 L HN -0.010 nan 8.230 nan 0.000 0.437 75 E N -0.977 119.092 120.200 -0.218 0.000 2.307 75 E HA 0.039 4.397 4.350 0.012 0.000 0.195 75 E C 0.469 177.001 176.600 -0.114 0.000 0.975 75 E CA 0.475 56.796 56.400 -0.131 0.000 0.878 75 E CB 0.808 30.464 29.700 -0.073 0.000 0.845 75 E HN 0.499 nan 8.360 nan 0.000 0.488 76 C N -0.162 119.075 119.300 -0.105 0.000 3.239 76 C HA 0.462 4.929 4.460 0.012 0.000 0.317 76 C C -0.546 174.433 174.990 -0.018 0.000 1.310 76 C CA -1.368 57.614 59.018 -0.061 0.000 1.371 76 C CB 1.141 28.863 27.740 -0.029 0.000 1.714 76 C HN 0.117 nan 8.230 nan 0.000 0.473 77 D N 1.014 121.417 120.400 0.005 0.000 2.525 77 D HA 0.299 4.946 4.640 0.012 0.000 0.235 77 D C -0.190 176.175 176.300 0.110 0.000 1.137 77 D CA 0.427 54.470 54.000 0.071 0.000 0.868 77 D CB 0.521 41.354 40.800 0.056 0.000 1.180 77 D HN 0.602 nan 8.370 nan 0.000 0.465 78 L N 6.013 127.344 121.223 0.179 0.000 2.319 78 L HA 0.243 4.590 4.340 0.012 0.000 0.280 78 L C -1.264 175.661 176.870 0.092 0.000 1.099 78 L CA -1.517 53.409 54.840 0.144 0.000 0.828 78 L CB 1.232 43.392 42.059 0.170 0.000 1.150 78 L HN 0.516 nan 8.230 nan 0.000 0.442 79 P HA -0.191 nan 4.420 nan 0.000 0.218 79 P C 0.934 178.257 177.300 0.040 0.000 1.149 79 P CA 1.001 64.129 63.100 0.048 0.000 0.817 79 P CB 0.091 31.813 31.700 0.037 0.000 0.785 80 E N -0.308 119.911 120.200 0.031 0.000 2.502 80 E HA 0.094 4.452 4.350 0.012 0.000 0.194 80 E C 0.549 177.153 176.600 0.008 0.000 1.062 80 E CA -0.108 56.300 56.400 0.012 0.000 0.867 80 E CB -0.484 29.208 29.700 -0.014 0.000 0.888 80 E HN 0.026 nan 8.360 nan 0.000 0.510 81 A N 1.201 124.039 122.820 0.030 0.000 2.406 81 A HA 0.186 4.514 4.320 0.012 0.000 0.243 81 A C -0.213 177.421 177.584 0.084 0.000 1.082 81 A CA -0.168 51.890 52.037 0.034 0.000 0.786 81 A CB 0.355 19.406 19.000 0.084 0.000 1.029 81 A HN 0.123 nan 8.150 nan 0.000 0.495 82 D N -0.243 120.238 120.400 0.136 0.000 2.299 82 D HA 0.514 5.162 4.640 0.012 0.000 0.243 82 D C -0.518 175.893 176.300 0.185 0.000 0.982 82 D CA 0.028 54.130 54.000 0.169 0.000 0.924 82 D CB 1.509 42.468 40.800 0.265 0.000 1.238 82 D HN 0.406 nan 8.370 nan 0.000 0.484 83 T N 0.502 115.145 114.554 0.148 0.000 2.806 83 T HA 0.519 4.876 4.350 0.012 0.000 0.290 83 T C 0.155 174.945 174.700 0.149 0.000 0.966 83 T CA -0.516 61.681 62.100 0.162 0.000 1.060 83 T CB 0.800 69.740 68.868 0.120 0.000 0.927 83 T HN 0.267 nan 8.240 nan 0.000 0.485 84 V N 0.949 120.984 119.914 0.202 0.000 3.130 84 V HA 0.790 4.917 4.120 0.012 0.000 0.310 84 V C -0.399 175.815 176.094 0.199 0.000 1.158 84 V CA -1.067 61.311 62.300 0.129 0.000 1.029 84 V CB 1.630 33.527 31.823 0.124 0.000 1.057 84 V HN 0.539 nan 8.190 nan 0.000 0.436 85 V N 1.752 121.755 119.914 0.148 0.000 2.649 85 V HA 0.543 4.670 4.120 0.012 0.000 0.292 85 V C 0.006 176.182 176.094 0.136 0.000 1.055 85 V CA -0.059 62.333 62.300 0.153 0.000 1.023 85 V CB 1.386 33.266 31.823 0.095 0.000 0.992 85 V HN 0.756 nan 8.190 nan 0.000 0.480 86 V N 6.777 126.695 119.914 0.006 0.000 2.638 86 V HA 0.455 4.583 4.120 0.012 0.000 0.306 86 V C -2.318 173.659 176.094 -0.194 0.000 1.052 86 V CA -1.644 60.505 62.300 -0.251 0.000 0.885 86 V CB 2.557 33.822 31.823 -0.930 0.000 0.999 86 V HN 0.765 nan 8.190 nan 0.000 0.424 87 P HA 0.457 nan 4.420 nan 0.000 0.277 87 P C -0.811 176.424 177.300 -0.109 0.000 1.240 87 P CA -0.097 62.881 63.100 -0.204 0.000 0.798 87 P CB 1.394 32.985 31.700 -0.180 0.000 0.979 88 S N 0.321 115.969 115.700 -0.085 0.000 2.615 88 S HA 0.409 4.887 4.470 0.012 0.000 0.268 88 S C -1.270 173.272 174.600 -0.096 0.000 1.146 88 S CA -1.032 57.104 58.200 -0.105 0.000 0.818 88 S CB 0.467 63.582 63.200 -0.142 0.000 1.111 88 S HN 0.353 nan 8.310 nan 0.000 0.465 89 N N 1.116 119.687 118.700 -0.215 0.000 2.444 89 N HA 0.406 5.153 4.740 0.012 0.000 0.262 89 N C 0.450 175.781 175.510 -0.299 0.000 0.974 89 N CA -0.824 52.068 53.050 -0.263 0.000 0.933 89 N CB 0.693 38.997 38.487 -0.305 0.000 1.137 89 N HN 0.844 nan 8.380 nan 0.000 0.498 90 W N 2.725 123.873 121.300 -0.254 0.000 2.421 90 W HA -0.074 4.593 4.660 0.013 0.000 0.270 90 W C 0.998 177.464 176.519 -0.089 0.000 1.233 90 W CA 0.749 57.933 57.345 -0.268 0.000 1.226 90 W CB -0.333 28.950 29.460 -0.295 0.000 1.121 90 W HN 0.499 nan 8.180 nan 0.000 0.579 91 Q N 0.459 120.207 119.800 -0.086 0.000 2.170 91 Q HA -0.129 4.219 4.340 0.012 0.000 0.203 91 Q C 2.182 178.108 176.000 -0.123 0.000 0.976 91 Q CA 1.950 57.712 55.803 -0.068 0.000 0.858 91 Q CB -0.552 28.023 28.738 -0.273 0.000 0.907 91 Q HN 0.254 nan 8.270 nan 0.000 0.433 92 M N -0.863 118.621 119.600 -0.193 0.000 2.460 92 M HA -0.084 4.403 4.480 0.012 0.000 0.263 92 M C 0.697 177.035 176.300 0.064 0.000 1.071 92 M CA 1.465 56.680 55.300 -0.140 0.000 1.096 92 M CB -0.641 31.858 32.600 -0.170 0.000 1.408 92 M HN 0.369 nan 8.290 nan 0.000 0.463 93 H N -0.865 118.214 119.070 0.015 0.000 2.549 93 H HA 0.292 4.855 4.556 0.013 0.000 0.279 93 H C 1.242 176.458 175.328 -0.187 0.000 1.018 93 H CA 0.056 56.091 56.048 -0.022 0.000 1.175 93 H CB 0.353 30.190 29.762 0.125 0.000 1.485 93 H HN 0.559 nan 8.280 nan 0.000 0.543 94 G N 0.650 109.444 108.800 -0.009 0.000 2.162 94 G HA2 -0.383 3.585 3.960 0.012 0.000 0.260 94 G HA3 -0.383 3.585 3.960 0.012 0.000 0.260 94 G C 0.423 175.191 174.900 -0.219 0.000 0.976 94 G CA 0.433 45.461 45.100 -0.120 0.000 0.655 94 G HN 0.476 nan 8.290 nan 0.000 0.533 95 Y N 1.585 121.895 120.300 0.016 0.000 2.274 95 Y HA 0.216 4.773 4.550 0.012 0.000 0.290 95 Y C 1.709 177.372 175.900 -0.394 0.000 1.145 95 Y CA 1.744 59.737 58.100 -0.179 0.000 1.203 95 Y CB 0.156 38.570 38.460 -0.077 0.000 0.984 95 Y HN 0.683 nan 8.280 nan 0.000 0.533 96 D N -2.111 118.333 120.400 0.074 0.000 2.665 96 D HA 0.496 5.143 4.640 0.012 0.000 0.287 96 D C -1.224 175.147 176.300 0.117 0.000 1.266 96 D CA -0.834 53.208 54.000 0.070 0.000 0.830 96 D CB 0.772 41.733 40.800 0.268 0.000 1.356 96 D HN -0.053 nan 8.370 nan 0.000 0.437 97 A N 0.125 123.024 122.820 0.132 0.000 2.327 97 A HA 0.699 5.027 4.320 0.012 0.000 0.283 97 A C -2.321 175.283 177.584 0.033 0.000 1.127 97 A CA -1.147 50.942 52.037 0.086 0.000 0.810 97 A CB 0.101 19.227 19.000 0.210 0.000 1.066 97 A HN 0.539 nan 8.150 nan 0.000 0.492 98 P HA 0.462 nan 4.420 nan 0.000 0.277 98 P C -0.876 176.616 177.300 0.319 0.000 1.240 98 P CA -0.021 63.038 63.100 -0.069 0.000 0.798 98 P CB 0.820 32.227 31.700 -0.487 0.000 0.979 99 I N 1.816 122.670 120.570 0.473 0.000 2.465 99 I HA 0.256 4.433 4.170 0.012 0.000 0.291 99 I C -0.617 175.684 176.117 0.306 0.000 1.014 99 I CA -0.949 60.607 61.300 0.428 0.000 1.093 99 I CB 1.679 39.862 38.000 0.304 0.000 1.267 99 I HN 0.286 nan 8.210 nan 0.000 0.431 100 Y N 6.125 126.344 120.300 -0.135 0.000 2.478 100 Y HA 0.505 5.062 4.550 0.012 0.000 0.329 100 Y C -0.351 175.380 175.900 -0.282 0.000 0.967 100 Y CA -0.511 57.217 58.100 -0.619 0.000 1.255 100 Y CB 1.095 38.678 38.460 -1.461 0.000 1.103 100 Y HN 0.527 nan 8.280 nan 0.000 0.497 101 T N 5.085 119.116 114.554 -0.871 0.000 2.876 101 T HA 0.273 4.630 4.350 0.012 0.000 0.289 101 T C 0.174 174.384 174.700 -0.817 0.000 1.014 101 T CA -0.559 61.073 62.100 -0.780 0.000 0.986 101 T CB 1.129 69.778 68.868 -0.365 0.000 1.021 101 T HN 0.755 nan 8.240 nan 0.000 0.458 102 N N 2.650 120.924 118.700 -0.710 0.000 2.288 102 N HA 0.076 4.824 4.740 0.012 0.000 0.199 102 N C 1.553 176.797 175.510 -0.443 0.000 1.043 102 N CA 1.363 54.133 53.050 -0.467 0.000 0.947 102 N CB -0.614 37.619 38.487 -0.423 0.000 1.140 102 N HN 0.381 nan 8.380 nan 0.000 0.490 103 V N 0.348 119.932 119.914 -0.550 0.000 2.492 103 V HA 0.123 4.250 4.120 0.012 0.000 0.241 103 V C 0.382 176.182 176.094 -0.490 0.000 1.041 103 V CA 0.817 62.724 62.300 -0.656 0.000 1.057 103 V CB -0.556 30.767 31.823 -0.833 0.000 0.711 103 V HN 0.333 nan 8.190 nan 0.000 0.468 104 T N 0.984 115.310 114.554 -0.380 0.000 2.902 104 T HA 0.142 4.499 4.350 0.012 0.000 0.301 104 T C -0.331 174.242 174.700 -0.212 0.000 1.012 104 T CA 0.232 62.183 62.100 -0.249 0.000 1.151 104 T CB -0.119 68.632 68.868 -0.195 0.000 0.946 104 T HN 0.162 nan 8.240 nan 0.000 0.542 105 Y N 4.680 124.884 120.300 -0.159 0.000 2.550 105 Y HA 0.121 4.678 4.550 0.012 0.000 0.343 105 Y C -0.781 174.991 175.900 -0.213 0.000 1.245 105 Y CA -1.464 56.532 58.100 -0.173 0.000 1.462 105 Y CB 0.383 38.738 38.460 -0.176 0.000 1.340 105 Y HN 0.501 nan 8.280 nan 0.000 0.604 106 P HA 0.038 nan 4.420 nan 0.000 0.249 106 P C -0.337 176.720 177.300 -0.405 0.000 1.229 106 P CA 0.971 63.947 63.100 -0.207 0.000 0.788 106 P CB 0.120 31.713 31.700 -0.179 0.000 1.072 107 I N -4.843 115.470 120.570 -0.429 0.000 2.957 107 I HA 0.509 4.687 4.170 0.012 0.000 0.310 107 I C -0.523 175.454 176.117 -0.234 0.000 1.063 107 I CA -1.196 59.827 61.300 -0.462 0.000 1.033 107 I CB 1.722 39.324 38.000 -0.663 0.000 1.230 107 I HN -0.452 nan 8.210 nan 0.000 0.447 108 T N 2.655 117.117 114.554 -0.154 0.000 2.940 108 T HA 0.166 4.523 4.350 0.012 0.000 0.309 108 T C 0.161 174.842 174.700 -0.031 0.000 1.056 108 T CA -0.210 61.852 62.100 -0.063 0.000 1.137 108 T CB 0.809 69.663 68.868 -0.025 0.000 0.976 108 T HN 0.379 nan 8.240 nan 0.000 0.547 109 V N 4.957 124.871 119.914 0.000 0.000 2.370 109 V HA 0.255 4.383 4.120 0.012 0.000 0.257 109 V C 0.636 176.781 176.094 0.085 0.000 1.064 109 V CA -0.230 62.094 62.300 0.040 0.000 0.975 109 V CB -0.153 31.680 31.823 0.017 0.000 1.067 109 V HN 0.828 nan 8.190 nan 0.000 0.485 110 N N 6.056 124.867 118.700 0.185 0.000 2.700 110 N HA 0.249 4.997 4.740 0.012 0.000 0.242 110 N C -2.946 172.667 175.510 0.171 0.000 1.541 110 N CA -1.276 51.873 53.050 0.166 0.000 0.764 110 N CB 1.558 40.175 38.487 0.216 0.000 1.319 110 N HN 0.268 nan 8.380 nan 0.000 0.518 111 P HA 0.213 nan 4.420 nan 0.000 0.266 111 P C -2.199 174.933 177.300 -0.281 0.000 1.195 111 P CA -0.690 62.074 63.100 -0.560 0.000 0.768 111 P CB 0.538 31.733 31.700 -0.842 0.000 0.838 112 P HA 0.225 nan 4.420 nan 0.000 0.263 112 P C -0.408 176.780 177.300 -0.187 0.000 1.448 112 P CA -0.212 62.687 63.100 -0.335 0.000 0.983 112 P CB 0.049 31.495 31.700 -0.422 0.000 1.481 113 F N 1.086 121.139 119.950 0.170 0.000 2.380 113 F HA 0.293 4.827 4.527 0.013 0.000 0.325 113 F C 1.379 177.350 175.800 0.285 0.000 1.136 113 F CA -0.655 57.461 58.000 0.192 0.000 1.171 113 F CB 0.597 39.662 39.000 0.108 0.000 1.230 113 F HN -0.216 nan 8.300 nan 0.000 0.554 114 V N -1.116 119.082 119.914 0.474 0.000 3.158 114 V HA 0.726 4.853 4.120 0.012 0.000 0.315 114 V C -2.744 173.509 176.094 0.264 0.000 1.148 114 V CA -2.826 59.675 62.300 0.334 0.000 1.042 114 V CB 1.264 33.345 31.823 0.429 0.000 1.101 114 V HN 0.494 nan 8.190 nan 0.000 0.448 115 P HA 0.221 nan 4.420 nan 0.000 0.269 115 P C 0.951 178.385 177.300 0.224 0.000 1.209 115 P CA 0.401 63.586 63.100 0.141 0.000 0.776 115 P CB 0.571 32.325 31.700 0.089 0.000 0.876 116 T N -1.767 112.890 114.554 0.171 0.000 2.951 116 T HA -0.054 4.304 4.350 0.012 0.000 0.268 116 T C 0.460 175.268 174.700 0.180 0.000 1.073 116 T CA 0.709 62.920 62.100 0.185 0.000 1.134 116 T CB -0.448 68.499 68.868 0.131 0.000 0.884 116 T HN 0.392 nan 8.240 nan 0.000 0.479 117 E N 2.581 122.886 120.200 0.175 0.000 2.052 117 E HA 0.310 4.668 4.350 0.012 0.000 0.283 117 E C -0.733 176.026 176.600 0.265 0.000 1.071 117 E CA -0.410 56.100 56.400 0.184 0.000 0.851 117 E CB 0.302 30.116 29.700 0.189 0.000 1.066 117 E HN 0.210 nan 8.360 nan 0.000 0.396 118 N N 4.677 123.508 118.700 0.219 0.000 2.617 118 N HA 0.237 4.985 4.740 0.012 0.000 0.263 118 N C -2.902 172.642 175.510 0.056 0.000 1.074 118 N CA -2.464 50.757 53.050 0.285 0.000 0.841 118 N CB 1.188 39.843 38.487 0.280 0.000 1.221 118 N HN 0.053 nan 8.380 nan 0.000 0.529 119 P HA 0.014 nan 4.420 nan 0.000 0.261 119 P C -0.820 176.379 177.300 -0.168 0.000 1.173 119 P CA 0.560 63.599 63.100 -0.102 0.000 0.760 119 P CB 0.473 32.450 31.700 0.461 0.000 0.783 120 T N 2.738 116.929 114.554 -0.606 0.000 2.812 120 T HA 0.567 4.925 4.350 0.012 0.000 0.282 120 T C 0.143 174.362 174.700 -0.802 0.000 0.990 120 T CA -0.548 61.266 62.100 -0.478 0.000 0.960 120 T CB 1.523 70.138 68.868 -0.422 0.000 0.948 120 T HN 0.336 nan 8.240 nan 0.000 0.438 121 G N 1.104 109.505 108.800 -0.666 0.000 2.415 121 G HA2 0.461 4.428 3.960 0.012 0.000 0.317 121 G HA3 0.461 4.428 3.960 0.012 0.000 0.317 121 G C -0.177 174.504 174.900 -0.366 0.000 1.152 121 G CA -0.345 44.247 45.100 -0.846 0.000 0.956 121 G HN 0.869 nan 8.290 nan 0.000 0.458 122 C N 3.599 122.467 119.300 -0.719 0.000 2.168 122 C HA 0.421 4.888 4.460 0.012 0.000 0.333 122 C C -0.362 174.628 174.990 -0.000 0.000 1.106 122 C CA -0.894 57.834 59.018 -0.484 0.000 1.574 122 C CB -2.059 24.987 27.740 -1.157 0.000 2.055 122 C HN 0.613 nan 8.230 nan 0.000 0.473 123 Y N 1.865 122.449 120.300 0.472 0.000 2.419 123 Y HA 0.642 5.199 4.550 0.013 0.000 0.328 123 Y C 0.841 177.172 175.900 0.717 0.000 1.162 123 Y CA -0.161 58.319 58.100 0.633 0.000 1.174 123 Y CB 1.398 40.236 38.460 0.630 0.000 1.228 123 Y HN 0.647 nan 8.280 nan 0.000 0.473 124 S N 1.794 117.963 115.700 0.782 0.000 2.596 124 S HA 0.818 5.295 4.470 0.012 0.000 0.270 124 S C -1.924 172.752 174.600 0.125 0.000 1.155 124 S CA -0.834 57.607 58.200 0.401 0.000 0.827 124 S CB 2.173 65.495 63.200 0.203 0.000 1.130 124 S HN 0.654 nan 8.310 nan 0.000 0.467 125 L N 0.481 121.611 121.223 -0.155 0.000 2.549 125 L HA 0.709 5.056 4.340 0.012 0.000 0.259 125 L C -1.278 175.541 176.870 -0.086 0.000 0.934 125 L CA 0.126 54.720 54.840 -0.409 0.000 0.865 125 L CB 2.222 43.481 42.059 -1.333 0.000 1.352 125 L HN 0.898 nan 8.230 nan 0.000 0.410 126 T N 5.392 119.919 114.554 -0.046 0.000 2.771 126 T HA 0.762 5.119 4.350 0.012 0.000 0.281 126 T C -0.879 173.857 174.700 0.059 0.000 0.982 126 T CA 0.006 62.108 62.100 0.002 0.000 0.978 126 T CB 0.343 69.179 68.868 -0.053 0.000 0.930 126 T HN 0.459 nan 8.240 nan 0.000 0.447 127 F N 1.128 120.980 119.950 -0.163 0.000 2.664 127 F HA 0.769 5.303 4.527 0.013 0.000 0.317 127 F C -0.876 174.846 175.800 -0.129 0.000 1.108 127 F CA -1.793 56.112 58.000 -0.158 0.000 0.957 127 F CB 1.056 39.941 39.000 -0.193 0.000 1.365 127 F HN 0.343 nan 8.300 nan 0.000 0.475 128 N N 0.082 118.691 118.700 -0.151 0.000 2.456 128 N HA 0.674 5.422 4.740 0.012 0.000 0.296 128 N C -1.944 173.444 175.510 -0.204 0.000 1.102 128 N CA -0.441 52.469 53.050 -0.233 0.000 0.924 128 N CB 1.860 40.270 38.487 -0.127 0.000 1.186 128 N HN 0.639 nan 8.380 nan 0.000 0.492 129 V N 2.172 121.936 119.914 -0.249 0.000 2.638 129 V HA 0.296 4.423 4.120 0.012 0.000 0.306 129 V C -0.805 175.166 176.094 -0.204 0.000 1.052 129 V CA -0.967 61.191 62.300 -0.236 0.000 0.885 129 V CB 1.733 33.486 31.823 -0.118 0.000 0.999 129 V HN 0.700 nan 8.190 nan 0.000 0.424 130 D N 2.462 122.690 120.400 -0.288 0.000 2.345 130 D HA 0.136 4.784 4.640 0.012 0.000 0.247 130 D C 1.051 177.355 176.300 0.007 0.000 1.108 130 D CA -0.029 53.892 54.000 -0.130 0.000 0.894 130 D CB 1.639 42.369 40.800 -0.117 0.000 1.203 130 D HN 0.732 nan 8.370 nan 0.000 0.430 131 E N 0.725 120.940 120.200 0.025 0.000 2.130 131 E HA -0.231 4.127 4.350 0.012 0.000 0.196 131 E C 1.690 178.360 176.600 0.116 0.000 0.998 131 E CA 1.698 58.135 56.400 0.061 0.000 0.806 131 E CB 0.149 29.871 29.700 0.037 0.000 0.738 131 E HN 0.465 nan 8.360 nan 0.000 0.459 132 S N -0.768 115.011 115.700 0.132 0.000 2.419 132 S HA -0.179 4.298 4.470 0.012 0.000 0.235 132 S C 1.531 176.233 174.600 0.170 0.000 1.019 132 S CA 0.940 59.221 58.200 0.135 0.000 0.982 132 S CB -0.592 62.685 63.200 0.127 0.000 0.789 132 S HN 0.407 nan 8.310 nan 0.000 0.490 133 W N 1.523 122.782 121.300 -0.068 0.000 2.678 133 W HA 0.397 5.065 4.660 0.012 0.000 0.256 133 W C 1.755 178.361 176.519 0.145 0.000 1.280 133 W CA -0.248 57.061 57.345 -0.060 0.000 1.345 133 W CB -0.446 29.058 29.460 0.073 0.000 1.118 133 W HN 0.312 nan 8.180 nan 0.000 0.629 134 L N -0.129 121.281 121.223 0.311 0.000 2.554 134 L HA 0.026 4.373 4.340 0.012 0.000 0.225 134 L C 2.114 179.074 176.870 0.151 0.000 1.104 134 L CA 0.416 55.390 54.840 0.223 0.000 0.866 134 L CB -0.413 41.744 42.059 0.163 0.000 1.047 134 L HN -0.107 nan 8.230 nan 0.000 0.468 135 Q N 0.962 120.837 119.800 0.126 0.000 2.432 135 Q HA 0.023 4.370 4.340 0.012 0.000 0.205 135 Q C 0.153 176.204 176.000 0.085 0.000 0.945 135 Q CA 0.548 56.401 55.803 0.083 0.000 0.924 135 Q CB 0.480 29.252 28.738 0.058 0.000 1.016 135 Q HN 0.655 nan 8.270 nan 0.000 0.503 136 E N -1.828 118.448 120.200 0.126 0.000 2.416 136 E HA 0.495 4.852 4.350 0.012 0.000 0.280 136 E C -0.197 176.524 176.600 0.202 0.000 1.055 136 E CA -0.437 56.035 56.400 0.119 0.000 0.825 136 E CB 1.080 30.829 29.700 0.082 0.000 1.312 136 E HN 0.028 nan 8.360 nan 0.000 0.452 137 G N 0.706 109.559 108.800 0.088 0.000 2.697 137 G HA2 -0.281 3.687 3.960 0.012 0.000 0.240 137 G HA3 -0.281 3.687 3.960 0.012 0.000 0.240 137 G C -0.709 174.100 174.900 -0.152 0.000 1.346 137 G CA 0.216 45.282 45.100 -0.057 0.000 0.887 137 G HN 0.762 nan 8.290 nan 0.000 0.569 138 Q N -0.624 118.928 119.800 -0.412 0.000 2.340 138 Q HA 0.638 4.986 4.340 0.012 0.000 0.268 138 Q C -0.955 174.860 176.000 -0.307 0.000 1.031 138 Q CA -0.489 55.170 55.803 -0.239 0.000 0.804 138 Q CB 1.559 30.202 28.738 -0.159 0.000 1.286 138 Q HN 0.608 nan 8.270 nan 0.000 0.448 139 T N 4.806 119.355 114.554 -0.008 0.000 2.772 139 T HA 0.467 4.824 4.350 0.012 0.000 0.288 139 T C -0.690 174.117 174.700 0.178 0.000 0.994 139 T CA -0.640 61.557 62.100 0.161 0.000 0.951 139 T CB 0.551 69.661 68.868 0.403 0.000 0.933 139 T HN 0.638 nan 8.240 nan 0.000 0.447 140 R N 2.946 123.539 120.500 0.155 0.000 2.778 140 R HA 0.788 5.136 4.340 0.012 0.000 0.277 140 R C -1.047 175.349 176.300 0.159 0.000 0.977 140 R CA -0.961 55.231 56.100 0.154 0.000 0.950 140 R CB 1.478 31.844 30.300 0.109 0.000 1.165 140 R HN 0.574 nan 8.270 nan 0.000 0.474 141 I N 2.607 123.276 120.570 0.165 0.000 2.460 141 I HA 0.461 4.638 4.170 0.012 0.000 0.298 141 I C -1.127 175.037 176.117 0.079 0.000 0.989 141 I CA -1.261 60.087 61.300 0.080 0.000 1.173 141 I CB 1.349 39.394 38.000 0.074 0.000 1.338 141 I HN 0.648 nan 8.210 nan 0.000 0.456 142 I N 7.046 127.558 120.570 -0.098 0.000 2.466 142 I HA 0.313 4.491 4.170 0.012 0.000 0.289 142 I C -1.357 174.625 176.117 -0.224 0.000 1.026 142 I CA -0.377 60.893 61.300 -0.051 0.000 1.078 142 I CB 1.698 39.670 38.000 -0.046 0.000 1.249 142 I HN 0.388 nan 8.210 nan 0.000 0.429 143 F N 4.449 124.378 119.950 -0.036 0.000 2.375 143 F HA 0.287 4.821 4.527 0.012 0.000 0.361 143 F C 1.243 176.926 175.800 -0.194 0.000 1.117 143 F CA -0.497 57.411 58.000 -0.152 0.000 1.037 143 F CB 0.998 39.862 39.000 -0.226 0.000 1.192 143 F HN 0.445 nan 8.300 nan 0.000 0.452 144 D N 2.308 122.626 120.400 -0.136 0.000 2.264 144 D HA 0.058 4.706 4.640 0.012 0.000 0.208 144 D C 0.933 177.069 176.300 -0.273 0.000 0.966 144 D CA 0.913 54.788 54.000 -0.209 0.000 0.864 144 D CB 0.406 41.022 40.800 -0.307 0.000 0.933 144 D HN 0.629 nan 8.370 nan 0.000 0.499 145 G N -0.514 108.066 108.800 -0.367 0.000 2.505 145 G HA2 0.450 4.417 3.960 0.012 0.000 0.292 145 G HA3 0.450 4.417 3.960 0.012 0.000 0.292 145 G C -1.500 173.187 174.900 -0.355 0.000 1.332 145 G CA -0.399 44.381 45.100 -0.534 0.000 1.286 145 G HN -0.061 nan 8.290 nan 0.000 0.606 146 V N 2.426 122.327 119.914 -0.022 0.000 2.569 146 V HA 0.542 4.669 4.120 0.012 0.000 0.301 146 V C -0.933 175.253 176.094 0.154 0.000 1.044 146 V CA -1.144 61.133 62.300 -0.039 0.000 0.874 146 V CB 2.009 33.550 31.823 -0.470 0.000 1.002 146 V HN 0.719 nan 8.190 nan 0.000 0.424 147 N N 2.438 121.204 118.700 0.110 0.000 2.443 147 N HA 0.348 5.095 4.740 0.012 0.000 0.269 147 N C 0.527 175.962 175.510 -0.125 0.000 0.985 147 N CA 0.106 53.124 53.050 -0.054 0.000 0.921 147 N CB 2.230 40.506 38.487 -0.352 0.000 1.195 147 N HN 0.662 nan 8.380 nan 0.000 0.492 148 S N 1.819 117.483 115.700 -0.060 0.000 2.540 148 S HA 0.604 5.082 4.470 0.012 0.000 0.222 148 S C 0.296 174.948 174.600 0.087 0.000 1.008 148 S CA 0.058 58.273 58.200 0.025 0.000 0.939 148 S CB 0.313 63.545 63.200 0.054 0.000 0.865 148 S HN 0.687 nan 8.310 nan 0.000 0.499 149 A N 0.902 123.783 122.820 0.102 0.000 2.605 149 A HA 0.729 5.057 4.320 0.012 0.000 0.294 149 A C -1.417 176.227 177.584 0.099 0.000 1.062 149 A CA -0.925 51.121 52.037 0.014 0.000 0.682 149 A CB 0.817 19.869 19.000 0.085 0.000 1.278 149 A HN 1.082 nan 8.150 nan 0.000 0.410 150 F N -0.320 119.396 119.950 -0.391 0.000 2.678 150 F HA 0.745 5.280 4.527 0.012 0.000 0.308 150 F C -1.172 174.498 175.800 -0.216 0.000 1.118 150 F CA -0.717 57.168 58.000 -0.191 0.000 0.959 150 F CB 1.062 39.957 39.000 -0.176 0.000 1.305 150 F HN 0.632 nan 8.300 nan 0.000 0.443 151 H N 2.253 121.458 119.070 0.225 0.000 2.472 151 H HA 0.709 5.272 4.556 0.013 0.000 0.338 151 H C -1.395 173.885 175.328 -0.081 0.000 1.133 151 H CA -0.714 55.335 56.048 0.001 0.000 1.216 151 H CB 2.520 32.281 29.762 -0.000 0.000 1.497 151 H HN 0.806 nan 8.280 nan 0.000 0.500 152 L N 3.176 124.151 121.223 -0.414 0.000 2.362 152 L HA 0.399 4.746 4.340 0.012 0.000 0.275 152 L C -1.562 174.999 176.870 -0.515 0.000 0.998 152 L CA -0.482 54.179 54.840 -0.299 0.000 0.820 152 L CB 1.370 43.130 42.059 -0.497 0.000 1.270 152 L HN 0.517 nan 8.230 nan 0.000 0.415 153 W N 4.381 125.623 121.300 -0.096 0.000 2.844 153 W HA 0.578 5.246 4.660 0.013 0.000 0.340 153 W C -1.124 175.328 176.519 -0.112 0.000 1.093 153 W CA -0.856 56.434 57.345 -0.091 0.000 1.212 153 W CB 2.051 31.497 29.460 -0.023 0.000 1.422 153 W HN 0.574 nan 8.180 nan 0.000 0.515 154 C N 4.652 124.022 119.300 0.116 0.000 2.364 154 C HA 0.297 4.764 4.460 0.012 0.000 0.324 154 C C 0.327 175.436 174.990 0.198 0.000 1.234 154 C CA -0.326 58.762 59.018 0.117 0.000 1.417 154 C CB -0.627 27.119 27.740 0.009 0.000 2.101 154 C HN 0.807 nan 8.230 nan 0.000 0.466 155 N N 3.533 122.309 118.700 0.126 0.000 2.721 155 N HA -0.189 4.559 4.740 0.012 0.000 0.249 155 N C 0.961 176.536 175.510 0.108 0.000 1.072 155 N CA 2.049 55.152 53.050 0.089 0.000 0.710 155 N CB -1.314 37.237 38.487 0.107 0.000 0.993 155 N HN 1.809 nan 8.380 nan 0.000 0.547 156 G N -1.309 107.548 108.800 0.095 0.000 2.184 156 G HA2 -0.368 3.599 3.960 0.012 0.000 0.264 156 G HA3 -0.368 3.599 3.960 0.012 0.000 0.264 156 G C 0.131 175.194 174.900 0.271 0.000 0.975 156 G CA 0.676 45.828 45.100 0.086 0.000 0.642 156 G HN 0.539 nan 8.290 nan 0.000 0.536 157 R N -1.065 119.664 120.500 0.382 0.000 2.460 157 R HA 0.417 4.764 4.340 0.012 0.000 0.303 157 R C -0.372 176.261 176.300 0.555 0.000 0.968 157 R CA -0.871 55.523 56.100 0.490 0.000 0.889 157 R CB 1.157 31.756 30.300 0.498 0.000 1.123 157 R HN 0.197 nan 8.270 nan 0.000 0.455 158 W N 3.545 125.001 121.300 0.260 0.000 2.253 158 W HA 0.088 4.755 4.660 0.012 0.000 0.322 158 W C 0.133 176.557 176.519 -0.159 0.000 1.342 158 W CA 0.049 57.244 57.345 -0.251 0.000 1.218 158 W CB 0.712 29.994 29.460 -0.296 0.000 1.205 158 W HN 0.325 nan 8.180 nan 0.000 0.551 159 V N 5.276 124.512 119.914 -1.131 0.000 2.627 159 V HA 0.533 4.660 4.120 0.012 0.000 0.239 159 V C 1.065 176.131 176.094 -1.713 0.000 1.077 159 V CA 1.094 62.647 62.300 -1.244 0.000 1.103 159 V CB -0.373 30.729 31.823 -1.201 0.000 0.802 159 V HN 0.827 nan 8.190 nan 0.000 0.482 160 G N -1.838 105.685 108.800 -2.128 0.000 2.341 160 G HA2 0.445 4.413 3.960 0.012 0.000 0.299 160 G HA3 0.445 4.413 3.960 0.012 0.000 0.299 160 G C -2.407 171.978 174.900 -0.857 0.000 1.274 160 G CA -0.228 43.956 45.100 -1.528 0.000 0.853 160 G HN 0.012 nan 8.290 nan 0.000 0.493 161 Y N -0.516 119.476 120.300 -0.513 0.000 2.571 161 Y HA 0.697 5.254 4.550 0.012 0.000 0.341 161 Y C -0.059 175.581 175.900 -0.433 0.000 1.076 161 Y CA 0.009 57.761 58.100 -0.581 0.000 1.029 161 Y CB 2.256 40.529 38.460 -0.312 0.000 1.308 161 Y HN 1.243 nan 8.280 nan 0.000 0.461 162 G N 3.534 111.465 108.800 -1.448 0.000 2.718 162 G HA2 0.584 4.552 3.960 0.012 0.000 0.295 162 G HA3 0.584 4.552 3.960 0.012 0.000 0.295 162 G C -2.100 172.336 174.900 -0.774 0.000 1.421 162 G CA -0.832 43.743 45.100 -0.875 0.000 0.902 162 G HN 0.616 nan 8.290 nan 0.000 0.501 163 Q N -0.385 119.226 119.800 -0.315 0.000 2.633 163 Q HA 0.578 4.926 4.340 0.012 0.000 0.292 163 Q C -1.362 174.641 176.000 0.006 0.000 1.089 163 Q CA -0.823 54.918 55.803 -0.103 0.000 0.811 163 Q CB 2.557 31.285 28.738 -0.017 0.000 1.472 163 Q HN 0.648 nan 8.270 nan 0.000 0.464 164 D N -0.213 120.227 120.400 0.065 0.000 4.535 164 D HA -0.097 4.551 4.640 0.012 0.000 0.236 164 D C -0.465 175.899 176.300 0.107 0.000 1.142 164 D CA 0.516 54.569 54.000 0.088 0.000 1.102 164 D CB -0.610 40.226 40.800 0.059 0.000 0.703 164 D HN 0.536 nan 8.370 nan 0.000 0.331 165 S N 3.193 118.970 115.700 0.128 0.000 2.507 165 S HA -0.078 4.400 4.470 0.012 0.000 0.235 165 S C 1.572 176.310 174.600 0.229 0.000 0.988 165 S CA 0.564 58.870 58.200 0.175 0.000 0.944 165 S CB 0.253 63.518 63.200 0.107 0.000 0.762 165 S HN 0.454 nan 8.310 nan 0.000 0.526 166 R N 0.169 120.766 120.500 0.162 0.000 2.509 166 R HA 0.444 4.791 4.340 0.012 0.000 0.300 166 R C -0.319 176.041 176.300 0.100 0.000 0.985 166 R CA 0.068 56.264 56.100 0.160 0.000 1.092 166 R CB 0.057 30.474 30.300 0.195 0.000 1.237 166 R HN 0.335 nan 8.270 nan 0.000 0.546 167 L N 1.129 122.382 121.223 0.049 0.000 2.350 167 L HA 0.517 4.864 4.340 0.012 0.000 0.260 167 L C -2.380 174.465 176.870 -0.042 0.000 1.015 167 L CA -2.319 52.517 54.840 -0.007 0.000 0.821 167 L CB 2.938 44.987 42.059 -0.017 0.000 1.370 167 L HN -0.192 nan 8.230 nan 0.000 0.416 168 P HA 0.111 nan 4.420 nan 0.000 0.271 168 P C -1.025 176.229 177.300 -0.077 0.000 1.216 168 P CA -0.209 62.837 63.100 -0.089 0.000 0.776 168 P CB 1.198 32.808 31.700 -0.150 0.000 0.881 169 S N 1.870 117.576 115.700 0.010 0.000 2.498 169 S HA 0.319 4.796 4.470 0.012 0.000 0.317 169 S C -0.456 174.074 174.600 -0.116 0.000 1.090 169 S CA -0.607 57.555 58.200 -0.064 0.000 1.089 169 S CB 0.903 64.242 63.200 0.232 0.000 0.997 169 S HN 0.376 nan 8.310 nan 0.000 0.470 170 E N 2.123 122.061 120.200 -0.437 0.000 2.222 170 E HA 0.570 4.927 4.350 0.012 0.000 0.267 170 E C -1.467 174.756 176.600 -0.628 0.000 0.884 170 E CA -0.597 55.628 56.400 -0.290 0.000 0.764 170 E CB 1.745 31.385 29.700 -0.100 0.000 1.169 170 E HN 0.381 nan 8.360 nan 0.000 0.413 171 F N 0.677 120.677 119.950 0.084 0.000 2.565 171 F HA 0.206 4.741 4.527 0.013 0.000 0.313 171 F C 0.015 175.838 175.800 0.037 0.000 1.091 171 F CA -1.038 56.974 58.000 0.020 0.000 0.915 171 F CB 1.677 40.657 39.000 -0.033 0.000 1.208 171 F HN 0.288 nan 8.300 nan 0.000 0.453 172 D N 2.872 123.406 120.400 0.223 0.000 2.295 172 D HA 0.258 4.905 4.640 0.012 0.000 0.248 172 D C 0.241 176.686 176.300 0.242 0.000 1.154 172 D CA 0.175 54.290 54.000 0.191 0.000 0.857 172 D CB 1.146 42.043 40.800 0.161 0.000 1.117 172 D HN 0.577 nan 8.370 nan 0.000 0.468 173 L N 2.849 124.220 121.223 0.247 0.000 2.667 173 L HA 0.041 4.388 4.340 0.012 0.000 0.232 173 L C 2.100 179.217 176.870 0.412 0.000 1.138 173 L CA -0.191 54.849 54.840 0.334 0.000 0.921 173 L CB 0.107 42.313 42.059 0.244 0.000 1.180 173 L HN 0.278 nan 8.230 nan 0.000 0.487 174 S N 1.454 117.329 115.700 0.291 0.000 2.381 174 S HA -0.286 4.192 4.470 0.012 0.000 0.230 174 S C 2.027 176.735 174.600 0.180 0.000 1.052 174 S CA 1.913 60.239 58.200 0.210 0.000 1.068 174 S CB -0.153 63.127 63.200 0.133 0.000 0.918 174 S HN 0.573 nan 8.310 nan 0.000 0.448 175 A N -0.638 122.270 122.820 0.147 0.000 2.238 175 A HA 0.301 4.628 4.320 0.012 0.000 0.208 175 A C 1.243 178.730 177.584 -0.161 0.000 1.177 175 A CA 0.394 52.402 52.037 -0.049 0.000 0.804 175 A CB -0.459 18.424 19.000 -0.196 0.000 0.823 175 A HN 0.485 nan 8.150 nan 0.000 0.482 176 F N -0.937 119.059 119.950 0.077 0.000 2.720 176 F HA 0.376 4.910 4.527 0.012 0.000 0.301 176 F C 0.651 176.491 175.800 0.067 0.000 1.103 176 F CA -0.123 57.921 58.000 0.073 0.000 1.291 176 F CB 0.148 39.198 39.000 0.084 0.000 1.086 176 F HN -0.018 nan 8.300 nan 0.000 0.592 177 L N 0.662 122.038 121.223 0.254 0.000 2.400 177 L HA 0.597 4.944 4.340 0.012 0.000 0.264 177 L C 0.041 176.959 176.870 0.079 0.000 1.061 177 L CA -0.909 54.025 54.840 0.157 0.000 0.799 177 L CB 1.308 43.472 42.059 0.175 0.000 1.240 177 L HN -0.023 nan 8.230 nan 0.000 0.461 178 R N 0.422 120.933 120.500 0.017 0.000 2.774 178 R HA 0.800 5.148 4.340 0.012 0.000 0.272 178 R C -1.156 175.126 176.300 -0.031 0.000 1.000 178 R CA -0.921 55.180 56.100 0.001 0.000 0.906 178 R CB 1.485 31.776 30.300 -0.014 0.000 1.227 178 R HN 0.551 nan 8.270 nan 0.000 0.468 179 A N 1.129 123.939 122.820 -0.017 0.000 2.531 179 A HA 0.479 4.807 4.320 0.012 0.000 0.236 179 A C 1.113 178.651 177.584 -0.076 0.000 1.062 179 A CA 1.128 53.144 52.037 -0.036 0.000 0.760 179 A CB -0.745 18.245 19.000 -0.016 0.000 0.995 179 A HN 1.424 nan 8.150 nan 0.000 0.501 180 G N 1.373 110.110 108.800 -0.105 0.000 2.496 180 G HA2 -0.174 3.794 3.960 0.012 0.000 0.243 180 G HA3 -0.174 3.794 3.960 0.012 0.000 0.243 180 G C -0.148 174.630 174.900 -0.204 0.000 1.176 180 G CA 0.204 45.227 45.100 -0.128 0.000 0.940 180 G HN 1.016 nan 8.290 nan 0.000 0.573 181 E N 1.670 121.755 120.200 -0.191 0.000 2.338 181 E HA 0.442 4.800 4.350 0.012 0.000 0.272 181 E C 0.004 176.408 176.600 -0.327 0.000 1.029 181 E CA -0.057 56.187 56.400 -0.261 0.000 0.872 181 E CB 0.495 30.090 29.700 -0.174 0.000 1.015 181 E HN 0.442 nan 8.360 nan 0.000 0.417 182 N N 2.052 120.421 118.700 -0.552 0.000 2.416 182 N HA 0.365 5.112 4.740 0.012 0.000 0.276 182 N C -1.166 174.083 175.510 -0.436 0.000 1.261 182 N CA -0.731 52.000 53.050 -0.532 0.000 0.790 182 N CB 2.490 40.512 38.487 -0.775 0.000 1.554 182 N HN 0.294 nan 8.380 nan 0.000 0.481 183 R N 1.510 121.937 120.500 -0.121 0.000 2.532 183 R HA 0.494 4.841 4.340 0.012 0.000 0.297 183 R C -1.262 175.120 176.300 0.137 0.000 0.984 183 R CA -0.497 55.619 56.100 0.026 0.000 0.884 183 R CB 1.108 31.379 30.300 -0.049 0.000 1.182 183 R HN 0.485 nan 8.270 nan 0.000 0.442 184 L N 2.987 124.336 121.223 0.210 0.000 2.357 184 L HA 0.752 5.100 4.340 0.012 0.000 0.273 184 L C -0.181 176.736 176.870 0.078 0.000 1.080 184 L CA -0.921 54.024 54.840 0.176 0.000 0.803 184 L CB 1.832 43.990 42.059 0.166 0.000 1.174 184 L HN 0.776 nan 8.230 nan 0.000 0.443 185 A N 2.665 125.535 122.820 0.082 0.000 2.381 185 A HA 0.743 5.070 4.320 0.012 0.000 0.299 185 A C -1.115 176.693 177.584 0.373 0.000 1.049 185 A CA -0.437 51.528 52.037 -0.120 0.000 0.715 185 A CB 1.616 20.037 19.000 -0.965 0.000 1.222 185 A HN 0.365 nan 8.150 nan 0.000 0.428 186 V N 3.266 123.587 119.914 0.678 0.000 2.483 186 V HA 0.499 4.626 4.120 0.012 0.000 0.297 186 V C -0.162 176.446 176.094 0.858 0.000 1.027 186 V CA -0.284 62.422 62.300 0.676 0.000 0.855 186 V CB 1.589 33.641 31.823 0.380 0.000 0.995 186 V HN 0.965 nan 8.190 nan 0.000 0.424 187 M N 6.053 126.175 119.600 0.869 0.000 2.047 187 M HA 0.574 5.061 4.480 0.012 0.000 0.342 187 M C -1.476 175.083 176.300 0.431 0.000 1.058 187 M CA -0.396 55.269 55.300 0.608 0.000 0.991 187 M CB 1.125 34.130 32.600 0.676 0.000 1.474 187 M HN 0.474 nan 8.290 nan 0.000 0.419 188 V N 6.780 126.906 119.914 0.353 0.000 2.370 188 V HA 0.367 4.494 4.120 0.012 0.000 0.279 188 V C -0.056 176.194 176.094 0.261 0.000 1.029 188 V CA -0.648 61.863 62.300 0.350 0.000 0.870 188 V CB 1.284 33.409 31.823 0.503 0.000 0.984 188 V HN 0.803 nan 8.190 nan 0.000 0.451 189 L N 5.114 126.421 121.223 0.141 0.000 2.292 189 L HA 0.492 4.839 4.340 0.012 0.000 0.284 189 L C 1.584 178.464 176.870 0.018 0.000 1.065 189 L CA -0.273 54.573 54.840 0.010 0.000 0.806 189 L CB 1.050 43.025 42.059 -0.140 0.000 1.175 189 L HN 0.662 nan 8.230 nan 0.000 0.431 190 R N 2.896 123.357 120.500 -0.065 0.000 2.073 190 R HA -0.029 4.318 4.340 0.012 0.000 0.229 190 R C -0.335 175.600 176.300 -0.608 0.000 1.120 190 R CA 0.916 56.742 56.100 -0.457 0.000 0.967 190 R CB 0.216 30.123 30.300 -0.655 0.000 0.862 190 R HN 0.560 nan 8.270 nan 0.000 0.436 191 W N 0.622 121.988 121.300 0.109 0.000 2.551 191 W HA 0.430 5.097 4.660 0.012 0.000 0.330 191 W C -0.262 176.376 176.519 0.197 0.000 1.063 191 W CA -0.711 56.707 57.345 0.121 0.000 1.222 191 W CB 1.739 31.273 29.460 0.124 0.000 1.349 191 W HN 0.040 nan 8.180 nan 0.000 0.536 192 S N -0.977 115.009 115.700 0.477 0.000 2.727 192 S HA 0.215 4.692 4.470 0.012 0.000 0.278 192 S C 0.053 174.923 174.600 0.450 0.000 1.186 192 S CA -0.456 58.046 58.200 0.504 0.000 0.836 192 S CB 1.109 64.573 63.200 0.441 0.000 1.186 192 S HN 0.603 nan 8.310 nan 0.000 0.499 193 D N 0.242 120.907 120.400 0.440 0.000 2.310 193 D HA 0.105 4.752 4.640 0.012 0.000 0.212 193 D C 1.738 178.363 176.300 0.542 0.000 0.965 193 D CA 0.998 55.305 54.000 0.512 0.000 0.879 193 D CB -0.653 40.316 40.800 0.281 0.000 0.921 193 D HN 0.689 nan 8.370 nan 0.000 0.510 194 G N 0.230 109.262 108.800 0.386 0.000 2.448 194 G HA2 -0.252 3.716 3.960 0.012 0.000 0.219 194 G HA3 -0.252 3.716 3.960 0.012 0.000 0.219 194 G C 1.682 176.779 174.900 0.328 0.000 1.127 194 G CA 0.666 45.967 45.100 0.334 0.000 0.766 194 G HN 0.307 nan 8.290 nan 0.000 0.552 195 S N 0.017 115.897 115.700 0.299 0.000 2.419 195 S HA -0.096 4.382 4.470 0.012 0.000 0.233 195 S C 1.881 176.589 174.600 0.180 0.000 1.016 195 S CA 0.687 59.031 58.200 0.241 0.000 0.974 195 S CB -0.377 62.981 63.200 0.263 0.000 0.786 195 S HN 0.518 nan 8.310 nan 0.000 0.492 196 Y N 1.211 121.649 120.300 0.231 0.000 2.497 196 Y HA 0.108 4.665 4.550 0.012 0.000 0.292 196 Y C 1.593 177.614 175.900 0.202 0.000 1.137 196 Y CA 0.581 58.735 58.100 0.089 0.000 1.285 196 Y CB -0.273 38.076 38.460 -0.184 0.000 0.991 196 Y HN 0.210 nan 8.280 nan 0.000 0.556 197 L N -0.408 121.025 121.223 0.350 0.000 2.667 197 L HA 0.137 4.484 4.340 0.012 0.000 0.232 197 L C 0.075 177.095 176.870 0.250 0.000 1.138 197 L CA 0.394 55.395 54.840 0.267 0.000 0.921 197 L CB 0.084 42.306 42.059 0.273 0.000 1.180 197 L HN 0.115 nan 8.230 nan 0.000 0.487 198 E N -0.088 120.272 120.200 0.268 0.000 3.582 198 E HA 0.037 4.394 4.350 0.012 0.000 0.217 198 E C -0.442 176.277 176.600 0.198 0.000 1.092 198 E CA -0.084 56.454 56.400 0.231 0.000 1.365 198 E CB 0.465 30.288 29.700 0.205 0.000 1.278 198 E HN 0.025 nan 8.360 nan 0.000 0.439 199 D N 1.088 121.566 120.400 0.129 0.000 2.690 199 D HA 0.030 4.677 4.640 0.012 0.000 0.236 199 D C -0.163 176.145 176.300 0.015 0.000 1.218 199 D CA -0.067 53.900 54.000 -0.055 0.000 0.829 199 D CB 0.138 40.651 40.800 -0.478 0.000 1.009 199 D HN 0.079 nan 8.370 nan 0.000 0.482 200 Q N 0.281 120.179 119.800 0.164 0.000 2.454 200 Q HA 0.127 4.475 4.340 0.012 0.000 0.247 200 Q C -0.091 176.037 176.000 0.215 0.000 1.028 200 Q CA 0.004 55.968 55.803 0.268 0.000 0.910 200 Q CB 0.615 29.659 28.738 0.510 0.000 1.276 200 Q HN 0.034 nan 8.270 nan 0.000 0.489 201 D N 2.475 123.036 120.400 0.269 0.000 2.489 201 D HA 0.150 4.797 4.640 0.012 0.000 0.237 201 D C -0.829 175.629 176.300 0.264 0.000 1.212 201 D CA 0.151 54.287 54.000 0.226 0.000 1.058 201 D CB -0.479 40.467 40.800 0.244 0.000 1.098 201 D HN 0.466 nan 8.370 nan 0.000 0.509 202 M N -0.130 119.584 119.600 0.190 0.000 3.008 202 M HA 0.432 4.919 4.480 0.012 0.000 0.271 202 M C -1.194 175.196 176.300 0.150 0.000 1.265 202 M CA -1.175 54.171 55.300 0.077 0.000 0.817 202 M CB 1.092 33.666 32.600 -0.043 0.000 1.638 202 M HN -0.109 nan 8.290 nan 0.000 0.479 203 W N 1.821 123.210 121.300 0.150 0.000 2.193 203 W HA 0.309 4.977 4.660 0.012 0.000 0.338 203 W C 0.296 176.845 176.519 0.050 0.000 1.310 203 W CA -0.093 57.339 57.345 0.144 0.000 1.243 203 W CB 0.394 29.878 29.460 0.041 0.000 1.165 203 W HN 0.293 nan 8.180 nan 0.000 0.566 204 R N 4.675 125.366 120.500 0.318 0.000 2.205 204 R HA 0.362 4.710 4.340 0.012 0.000 0.342 204 R C -0.084 176.231 176.300 0.025 0.000 1.058 204 R CA -0.081 56.122 56.100 0.173 0.000 0.904 204 R CB -0.022 30.454 30.300 0.292 0.000 1.089 204 R HN 0.553 nan 8.270 nan 0.000 0.471 205 M N 0.188 119.687 119.600 -0.168 0.000 2.739 205 M HA 0.522 5.009 4.480 0.012 0.000 0.284 205 M C 0.035 175.979 176.300 -0.592 0.000 1.103 205 M CA -0.842 54.237 55.300 -0.369 0.000 0.809 205 M CB 2.011 34.393 32.600 -0.363 0.000 1.708 205 M HN 0.594 nan 8.290 nan 0.000 0.481 206 S N -1.284 113.935 115.700 -0.802 0.000 2.595 206 S HA 0.908 5.385 4.470 0.012 0.000 0.270 206 S C -0.662 173.424 174.600 -0.856 0.000 1.145 206 S CA -0.202 57.443 58.200 -0.925 0.000 0.825 206 S CB 1.698 64.166 63.200 -1.219 0.000 1.107 206 S HN 1.474 nan 8.310 nan 0.000 0.461 207 G N -0.008 108.555 108.800 -0.394 0.000 2.343 207 G HA2 0.206 4.173 3.960 0.012 0.000 0.465 207 G HA3 0.206 4.173 3.960 0.012 0.000 0.465 207 G C -1.480 173.435 174.900 0.025 0.000 1.282 207 G CA -0.640 44.532 45.100 0.119 0.000 0.996 207 G HN 1.156 nan 8.290 nan 0.000 0.521 208 I N 2.032 122.461 120.570 -0.235 0.000 2.256 208 I HA 0.270 4.448 4.170 0.012 0.000 0.294 208 I C 1.041 177.035 176.117 -0.205 0.000 1.127 208 I CA -0.230 60.839 61.300 -0.385 0.000 1.247 208 I CB -0.121 37.380 38.000 -0.832 0.000 1.460 208 I HN 0.499 nan 8.210 nan 0.000 0.511 209 F N 4.377 124.176 119.950 -0.252 0.000 2.678 209 F HA 0.484 5.019 4.527 0.012 0.000 0.305 209 F C 0.581 176.299 175.800 -0.137 0.000 1.090 209 F CA -0.622 57.264 58.000 -0.191 0.000 1.272 209 F CB -0.054 38.838 39.000 -0.180 0.000 1.060 209 F HN 0.117 nan 8.300 nan 0.000 0.576 210 R N 0.304 120.363 120.500 -0.735 0.000 2.930 210 R HA 0.272 4.619 4.340 0.012 0.000 0.257 210 R C -0.686 175.394 176.300 -0.366 0.000 1.107 210 R CA -1.148 54.620 56.100 -0.553 0.000 0.999 210 R CB 0.723 30.609 30.300 -0.690 0.000 1.209 210 R HN -0.039 nan 8.270 nan 0.000 0.486 211 D N 0.689 120.914 120.400 -0.290 0.000 2.419 211 D HA 0.107 4.755 4.640 0.012 0.000 0.236 211 D C -0.498 175.648 176.300 -0.257 0.000 1.165 211 D CA 0.376 54.246 54.000 -0.217 0.000 0.882 211 D CB 0.775 41.482 40.800 -0.155 0.000 1.201 211 D HN -0.015 nan 8.370 nan 0.000 0.443 212 V N 1.073 120.843 119.914 -0.241 0.000 2.495 212 V HA 0.563 4.691 4.120 0.012 0.000 0.298 212 V C 0.083 176.040 176.094 -0.228 0.000 1.031 212 V CA -0.544 61.549 62.300 -0.345 0.000 0.871 212 V CB 1.641 33.246 31.823 -0.362 0.000 0.988 212 V HN 0.759 nan 8.190 nan 0.000 0.432 213 S N 4.415 119.968 115.700 -0.245 0.000 2.607 213 S HA 0.861 5.339 4.470 0.012 0.000 0.273 213 S C -1.475 173.069 174.600 -0.092 0.000 1.148 213 S CA -0.841 57.287 58.200 -0.121 0.000 0.833 213 S CB 2.121 65.284 63.200 -0.061 0.000 1.130 213 S HN 0.430 nan 8.310 nan 0.000 0.470 214 L N 1.425 122.657 121.223 0.014 0.000 2.333 214 L HA 0.760 5.107 4.340 0.012 0.000 0.280 214 L C -1.398 175.656 176.870 0.306 0.000 1.004 214 L CA -0.756 54.171 54.840 0.145 0.000 0.820 214 L CB 1.531 43.686 42.059 0.161 0.000 1.247 214 L HN 0.829 nan 8.230 nan 0.000 0.416 215 L N 4.422 125.802 121.223 0.262 0.000 2.356 215 L HA 0.470 4.817 4.340 0.012 0.000 0.277 215 L C -0.952 175.930 176.870 0.020 0.000 0.996 215 L CA -0.192 54.740 54.840 0.154 0.000 0.822 215 L CB 1.202 43.313 42.059 0.086 0.000 1.256 215 L HN 0.590 nan 8.230 nan 0.000 0.413 216 H N 5.410 124.250 119.070 -0.384 0.000 2.517 216 H HA 0.446 5.009 4.556 0.012 0.000 0.317 216 H C -1.148 173.976 175.328 -0.340 0.000 1.080 216 H CA -0.438 55.262 56.048 -0.580 0.000 1.301 216 H CB 1.034 29.964 29.762 -1.387 0.000 1.425 216 H HN 0.514 nan 8.280 nan 0.000 0.471 217 K N 5.366 125.416 120.400 -0.583 0.000 2.328 217 K HA 0.382 4.710 4.320 0.012 0.000 0.246 217 K C -2.663 173.717 176.600 -0.368 0.000 0.955 217 K CA -2.065 54.020 56.287 -0.337 0.000 0.817 217 K CB 2.069 34.431 32.500 -0.229 0.000 1.208 217 K HN 0.486 nan 8.250 nan 0.000 0.432 218 P HA 0.146 nan 4.420 nan 0.000 0.274 218 P C 0.521 177.758 177.300 -0.106 0.000 1.246 218 P CA -0.142 62.902 63.100 -0.093 0.000 0.795 218 P CB 0.452 32.128 31.700 -0.040 0.000 1.006 219 T N -0.975 113.541 114.554 -0.063 0.000 2.720 219 T HA -0.064 4.294 4.350 0.012 0.000 0.268 219 T C 0.614 175.281 174.700 -0.054 0.000 1.037 219 T CA 1.649 63.718 62.100 -0.052 0.000 1.144 219 T CB -0.626 68.228 68.868 -0.023 0.000 0.864 219 T HN 0.434 nan 8.240 nan 0.000 0.444 220 T N 3.719 118.246 114.554 -0.045 0.000 2.738 220 T HA 0.463 4.821 4.350 0.012 0.000 0.298 220 T C -0.221 174.438 174.700 -0.067 0.000 0.962 220 T CA -0.631 61.433 62.100 -0.060 0.000 0.972 220 T CB 0.648 69.496 68.868 -0.033 0.000 0.928 220 T HN 0.479 nan 8.240 nan 0.000 0.474 221 Q N 2.474 122.220 119.800 -0.090 0.000 2.565 221 Q HA 0.598 4.946 4.340 0.012 0.000 0.294 221 Q C -1.310 174.634 176.000 -0.094 0.000 1.005 221 Q CA -1.166 54.576 55.803 -0.102 0.000 0.771 221 Q CB 1.318 29.978 28.738 -0.130 0.000 1.486 221 Q HN 0.444 nan 8.270 nan 0.000 0.422 222 I N 2.541 123.028 120.570 -0.139 0.000 2.379 222 I HA 0.050 4.227 4.170 0.012 0.000 0.290 222 I C 0.825 176.872 176.117 -0.116 0.000 1.063 222 I CA -0.042 61.201 61.300 -0.095 0.000 1.351 222 I CB 1.242 39.136 38.000 -0.177 0.000 1.410 222 I HN 0.880 nan 8.210 nan 0.000 0.505 223 S N 2.824 118.568 115.700 0.073 0.000 2.517 223 S HA 0.179 4.656 4.470 0.012 0.000 0.214 223 S C 0.207 175.025 174.600 0.363 0.000 0.991 223 S CA -0.189 58.126 58.200 0.192 0.000 0.906 223 S CB 0.233 63.491 63.200 0.097 0.000 0.789 223 S HN 0.715 nan 8.310 nan 0.000 0.513 224 D N -0.340 120.281 120.400 0.368 0.000 2.728 224 D HA 0.494 5.141 4.640 0.012 0.000 0.249 224 D C -1.929 174.573 176.300 0.338 0.000 1.225 224 D CA -0.688 53.521 54.000 0.350 0.000 0.748 224 D CB 1.489 42.385 40.800 0.160 0.000 1.326 224 D HN 0.183 nan 8.370 nan 0.000 0.426 225 F N -0.617 119.431 119.950 0.163 0.000 2.650 225 F HA 0.619 5.153 4.527 0.012 0.000 0.310 225 F C -1.496 174.402 175.800 0.163 0.000 1.112 225 F CA -0.747 57.276 58.000 0.037 0.000 0.986 225 F CB 1.231 40.279 39.000 0.078 0.000 1.285 225 F HN 0.254 nan 8.300 nan 0.000 0.440 226 H N 1.573 120.704 119.070 0.102 0.000 2.589 226 H HA 0.733 5.296 4.556 0.012 0.000 0.351 226 H C -1.364 173.996 175.328 0.054 0.000 1.074 226 H CA -1.449 54.587 56.048 -0.019 0.000 1.203 226 H CB 2.635 32.376 29.762 -0.035 0.000 1.558 226 H HN 0.616 nan 8.280 nan 0.000 0.522 227 V N 2.459 122.461 119.914 0.147 0.000 2.417 227 V HA 0.626 4.754 4.120 0.012 0.000 0.291 227 V C -0.147 175.939 176.094 -0.014 0.000 1.024 227 V CA -0.544 61.801 62.300 0.076 0.000 0.861 227 V CB 1.231 33.104 31.823 0.083 0.000 0.985 227 V HN 0.906 nan 8.190 nan 0.000 0.436 228 A N 3.440 126.231 122.820 -0.049 0.000 2.374 228 A HA 0.945 5.272 4.320 0.012 0.000 0.317 228 A C -0.082 177.395 177.584 -0.179 0.000 1.094 228 A CA -0.533 51.452 52.037 -0.086 0.000 0.765 228 A CB 1.852 20.824 19.000 -0.045 0.000 1.268 228 A HN 0.909 nan 8.150 nan 0.000 0.438 229 T N -0.002 114.424 114.554 -0.214 0.000 2.881 229 T HA 0.737 5.095 4.350 0.012 0.000 0.291 229 T C -0.525 173.957 174.700 -0.363 0.000 0.990 229 T CA -0.682 61.195 62.100 -0.372 0.000 0.976 229 T CB 0.971 69.492 68.868 -0.578 0.000 0.970 229 T HN 0.696 nan 8.240 nan 0.000 0.438 230 R N 1.853 122.067 120.500 -0.478 0.000 2.803 230 R HA 0.813 5.161 4.340 0.012 0.000 0.276 230 R C -1.181 174.724 176.300 -0.658 0.000 0.978 230 R CA -0.756 55.138 56.100 -0.343 0.000 0.939 230 R CB 1.621 31.837 30.300 -0.140 0.000 1.179 230 R HN 0.548 nan 8.270 nan 0.000 0.472 231 F N 0.264 120.193 119.950 -0.035 0.000 2.611 231 F HA 0.385 4.919 4.527 0.011 0.000 0.324 231 F C 0.484 176.149 175.800 -0.226 0.000 1.061 231 F CA -1.098 56.821 58.000 -0.134 0.000 0.954 231 F CB 1.068 39.865 39.000 -0.339 0.000 1.301 231 F HN 0.539 nan 8.300 nan 0.000 0.482 232 N N -0.088 118.596 118.700 -0.026 0.000 2.364 232 N HA 0.061 4.808 4.740 0.012 0.000 0.264 232 N C 0.418 175.794 175.510 -0.222 0.000 1.263 232 N CA -0.209 52.788 53.050 -0.089 0.000 0.959 232 N CB 0.097 38.558 38.487 -0.043 0.000 1.204 232 N HN 0.661 nan 8.380 nan 0.000 0.550 233 D N -1.502 118.814 120.400 -0.141 0.000 2.221 233 D HA -0.228 4.419 4.640 0.012 0.000 0.204 233 D C 0.134 176.356 176.300 -0.129 0.000 0.982 233 D CA 1.437 55.354 54.000 -0.138 0.000 0.857 233 D CB -0.504 40.272 40.800 -0.039 0.000 0.934 233 D HN 0.732 nan 8.370 nan 0.000 0.475 234 D N -1.620 118.743 120.400 -0.062 0.000 2.538 234 D HA 0.048 4.696 4.640 0.012 0.000 0.231 234 D C 0.073 176.526 176.300 0.254 0.000 1.229 234 D CA -1.028 53.047 54.000 0.125 0.000 0.828 234 D CB -1.022 39.855 40.800 0.128 0.000 1.035 234 D HN 0.171 nan 8.370 nan 0.000 0.495 235 F N 0.250 120.260 119.950 0.100 0.000 2.973 235 F HA -0.313 4.221 4.527 0.012 0.000 0.299 235 F C 1.775 177.662 175.800 0.144 0.000 0.737 235 F CA 0.874 58.945 58.000 0.119 0.000 1.151 235 F CB -2.500 36.459 39.000 -0.068 0.000 1.440 235 F HN 0.224 nan 8.300 nan 0.000 0.367 236 S N -0.911 114.905 115.700 0.193 0.000 2.527 236 S HA 0.175 4.653 4.470 0.012 0.000 0.222 236 S C 0.730 175.389 174.600 0.099 0.000 0.985 236 S CA 0.127 58.407 58.200 0.134 0.000 0.921 236 S CB 0.320 63.571 63.200 0.086 0.000 0.772 236 S HN 0.420 nan 8.310 nan 0.000 0.529 237 R N 0.175 120.739 120.500 0.107 0.000 2.698 237 R HA 0.817 5.164 4.340 0.012 0.000 0.275 237 R C -1.254 175.074 176.300 0.046 0.000 1.001 237 R CA -0.378 55.749 56.100 0.045 0.000 0.896 237 R CB 2.134 32.435 30.300 0.002 0.000 1.218 237 R HN 0.229 nan 8.270 nan 0.000 0.462 238 A N 1.184 123.970 122.820 -0.056 0.000 2.569 238 A HA 0.766 5.094 4.320 0.012 0.000 0.290 238 A C -1.369 176.130 177.584 -0.143 0.000 1.136 238 A CA -0.660 51.249 52.037 -0.212 0.000 0.710 238 A CB 2.208 21.083 19.000 -0.208 0.000 1.303 238 A HN 0.309 nan 8.150 nan 0.000 0.413 239 V N 0.955 120.761 119.914 -0.180 0.000 2.531 239 V HA 0.464 4.591 4.120 0.012 0.000 0.301 239 V C -0.746 175.285 176.094 -0.106 0.000 1.034 239 V CA -0.358 61.880 62.300 -0.104 0.000 0.865 239 V CB 1.503 33.264 31.823 -0.103 0.000 0.995 239 V HN 0.818 nan 8.190 nan 0.000 0.424 240 L N 4.845 126.042 121.223 -0.042 0.000 2.264 240 L HA 0.590 4.938 4.340 0.012 0.000 0.289 240 L C -0.073 176.753 176.870 -0.073 0.000 1.044 240 L CA 0.135 54.924 54.840 -0.085 0.000 0.807 240 L CB 0.878 42.924 42.059 -0.022 0.000 1.192 240 L HN 0.650 nan 8.230 nan 0.000 0.425 241 E N 4.726 124.879 120.200 -0.080 0.000 2.165 241 E HA 0.592 4.949 4.350 0.012 0.000 0.266 241 E C -1.107 175.479 176.600 -0.024 0.000 0.889 241 E CA -0.773 55.597 56.400 -0.049 0.000 0.756 241 E CB 1.982 31.654 29.700 -0.046 0.000 1.131 241 E HN 0.685 nan 8.360 nan 0.000 0.411 242 A N 3.712 126.525 122.820 -0.012 0.000 2.311 242 A HA 0.287 4.615 4.320 0.012 0.000 0.306 242 A C -0.488 177.098 177.584 0.003 0.000 1.189 242 A CA -0.648 51.408 52.037 0.031 0.000 0.791 242 A CB 0.891 19.910 19.000 0.032 0.000 1.172 242 A HN 0.672 nan 8.150 nan 0.000 0.481 243 E N 2.664 122.863 120.200 -0.001 0.000 2.174 243 E HA 0.539 4.896 4.350 0.012 0.000 0.282 243 E C -1.336 175.217 176.600 -0.078 0.000 0.992 243 E CA -0.367 55.986 56.400 -0.077 0.000 0.803 243 E CB 1.138 30.748 29.700 -0.150 0.000 1.090 243 E HN 0.370 nan 8.360 nan 0.000 0.396 244 V N 4.804 124.686 119.914 -0.053 0.000 2.540 244 V HA 0.288 4.415 4.120 0.012 0.000 0.302 244 V C -0.429 175.722 176.094 0.094 0.000 1.035 244 V CA -0.789 61.530 62.300 0.032 0.000 0.873 244 V CB 1.687 33.513 31.823 0.006 0.000 0.992 244 V HN 0.748 nan 8.190 nan 0.000 0.428 245 Q N 4.145 124.018 119.800 0.121 0.000 2.345 245 Q HA 0.833 5.180 4.340 0.012 0.000 0.268 245 Q C -0.818 175.277 176.000 0.158 0.000 1.054 245 Q CA -0.879 55.009 55.803 0.142 0.000 0.835 245 Q CB 2.659 31.413 28.738 0.027 0.000 1.339 245 Q HN 0.810 nan 8.270 nan 0.000 0.447 246 M N -0.907 118.733 119.600 0.067 0.000 2.727 246 M HA 0.783 5.271 4.480 0.012 0.000 0.300 246 M C -1.278 174.958 176.300 -0.106 0.000 1.246 246 M CA -0.511 54.741 55.300 -0.080 0.000 0.835 246 M CB 1.574 33.940 32.600 -0.389 0.000 1.755 246 M HN 0.534 nan 8.290 nan 0.000 0.473 247 C N 0.337 119.575 119.300 -0.102 0.000 2.889 247 C HA 1.026 5.494 4.460 0.012 0.000 0.307 247 C C 0.684 175.611 174.990 -0.105 0.000 1.251 247 C CA 0.606 59.577 59.018 -0.079 0.000 1.593 247 C CB 1.109 28.828 27.740 -0.036 0.000 2.104 247 C HN 1.404 nan 8.230 nan 0.000 0.476 248 G N 1.271 110.017 108.800 -0.089 0.000 2.384 248 G HA2 -0.068 3.900 3.960 0.012 0.000 0.200 248 G HA3 -0.068 3.900 3.960 0.012 0.000 0.200 248 G C -0.719 174.122 174.900 -0.098 0.000 1.205 248 G CA -0.513 44.538 45.100 -0.082 0.000 1.116 248 G HN 0.849 nan 8.290 nan 0.000 0.547 249 E N 0.900 121.048 120.200 -0.087 0.000 1.985 249 E HA 0.303 4.661 4.350 0.012 0.000 0.268 249 E C 0.244 176.745 176.600 -0.165 0.000 1.219 249 E CA -0.227 56.121 56.400 -0.086 0.000 0.942 249 E CB -0.091 29.596 29.700 -0.022 0.000 1.045 249 E HN 0.370 nan 8.360 nan 0.000 0.413 250 L N 5.433 126.540 121.223 -0.194 0.000 2.315 250 L HA 0.278 4.626 4.340 0.012 0.000 0.283 250 L C -0.094 176.616 176.870 -0.268 0.000 1.089 250 L CA 0.071 54.751 54.840 -0.268 0.000 0.833 250 L CB 0.164 42.097 42.059 -0.210 0.000 1.170 250 L HN 0.435 nan 8.230 nan 0.000 0.442 251 R N 2.595 122.854 120.500 -0.401 0.000 2.707 251 R HA 0.183 4.530 4.340 0.012 0.000 0.272 251 R C -0.194 175.792 176.300 -0.524 0.000 1.011 251 R CA -0.797 54.994 56.100 -0.514 0.000 0.893 251 R CB 1.424 31.116 30.300 -1.014 0.000 1.233 251 R HN 0.505 nan 8.270 nan 0.000 0.464 252 D N 0.914 121.115 120.400 -0.331 0.000 2.263 252 D HA -0.141 4.506 4.640 0.012 0.000 0.208 252 D C 1.502 177.732 176.300 -0.116 0.000 0.971 252 D CA 1.610 55.515 54.000 -0.158 0.000 0.867 252 D CB 0.112 40.881 40.800 -0.051 0.000 0.929 252 D HN 0.553 nan 8.370 nan 0.000 0.492 253 Y N -0.129 120.181 120.300 0.015 0.000 2.546 253 Y HA 0.256 4.813 4.550 0.013 0.000 0.287 253 Y C 0.868 176.775 175.900 0.012 0.000 1.158 253 Y CA -0.451 57.657 58.100 0.014 0.000 1.307 253 Y CB -0.873 37.594 38.460 0.013 0.000 1.036 253 Y HN -0.192 nan 8.280 nan 0.000 0.532 254 L N 2.464 123.636 121.223 -0.086 0.000 2.452 254 L HA 0.348 4.695 4.340 0.012 0.000 0.267 254 L C 0.186 177.104 176.870 0.080 0.000 1.188 254 L CA -0.230 54.662 54.840 0.088 0.000 0.821 254 L CB 0.524 42.592 42.059 0.015 0.000 1.102 254 L HN 0.152 nan 8.230 nan 0.000 0.470 255 R N 1.483 121.937 120.500 -0.077 0.000 2.764 255 R HA 0.686 5.034 4.340 0.012 0.000 0.270 255 R C -1.555 174.490 176.300 -0.425 0.000 1.014 255 R CA -0.783 55.131 56.100 -0.309 0.000 0.904 255 R CB 2.018 32.001 30.300 -0.528 0.000 1.236 255 R HN 0.272 nan 8.270 nan 0.000 0.466 256 V N 0.566 120.248 119.914 -0.387 0.000 2.735 256 V HA 0.565 4.692 4.120 0.012 0.000 0.310 256 V C -0.479 175.593 176.094 -0.036 0.000 1.061 256 V CA -0.522 61.648 62.300 -0.216 0.000 0.913 256 V CB 2.483 34.121 31.823 -0.308 0.000 1.005 256 V HN 0.738 nan 8.190 nan 0.000 0.428 257 T N 3.503 118.149 114.554 0.153 0.000 2.841 257 T HA 0.587 4.944 4.350 0.012 0.000 0.285 257 T C -0.760 173.968 174.700 0.047 0.000 0.991 257 T CA -0.311 61.872 62.100 0.139 0.000 0.966 257 T CB 1.572 70.557 68.868 0.196 0.000 0.962 257 T HN 0.337 nan 8.240 nan 0.000 0.438 258 V N 3.993 123.911 119.914 0.006 0.000 2.459 258 V HA 0.706 4.834 4.120 0.012 0.000 0.295 258 V C 0.015 176.118 176.094 0.016 0.000 1.029 258 V CA -0.706 61.594 62.300 -0.001 0.000 0.874 258 V CB 1.779 33.589 31.823 -0.023 0.000 0.985 258 V HN 1.047 nan 8.190 nan 0.000 0.438 259 S N 5.139 120.878 115.700 0.064 0.000 2.542 259 S HA 0.864 5.342 4.470 0.012 0.000 0.293 259 S C -1.092 173.556 174.600 0.079 0.000 1.089 259 S CA -0.781 57.439 58.200 0.033 0.000 0.961 259 S CB 2.157 65.408 63.200 0.084 0.000 1.062 259 S HN 0.572 nan 8.310 nan 0.000 0.483 260 L N 2.000 123.172 121.223 -0.084 0.000 2.341 260 L HA 0.813 5.160 4.340 0.012 0.000 0.278 260 L C -2.030 174.789 176.870 -0.085 0.000 1.005 260 L CA -0.303 54.579 54.840 0.070 0.000 0.818 260 L CB 0.996 43.093 42.059 0.063 0.000 1.259 260 L HN 0.888 nan 8.230 nan 0.000 0.418 261 W N 3.559 124.965 121.300 0.177 0.000 2.736 261 W HA 0.580 5.248 4.660 0.012 0.000 0.335 261 W C -0.625 175.995 176.519 0.169 0.000 1.059 261 W CA -0.439 56.988 57.345 0.137 0.000 1.226 261 W CB 1.462 30.954 29.460 0.054 0.000 1.416 261 W HN 0.462 nan 8.180 nan 0.000 0.505 262 Q N 2.795 122.751 119.800 0.261 0.000 2.425 262 Q HA 0.505 4.853 4.340 0.012 0.000 0.254 262 Q C 0.774 176.811 176.000 0.061 0.000 1.032 262 Q CA 0.456 56.257 55.803 -0.003 0.000 0.798 262 Q CB 0.704 29.362 28.738 -0.134 0.000 1.210 262 Q HN 0.788 nan 8.270 nan 0.000 0.491 263 G N 3.289 112.119 108.800 0.050 0.000 2.574 263 G HA2 -0.346 3.622 3.960 0.012 0.000 0.286 263 G HA3 -0.346 3.622 3.960 0.012 0.000 0.286 263 G C 0.264 175.254 174.900 0.149 0.000 1.212 263 G CA 0.352 45.487 45.100 0.059 0.000 0.979 263 G HN 0.730 nan 8.290 nan 0.000 0.557 264 E N 0.981 121.262 120.200 0.136 0.000 2.437 264 E HA 0.170 4.527 4.350 0.012 0.000 0.189 264 E C 0.326 177.150 176.600 0.373 0.000 1.054 264 E CA 0.553 57.079 56.400 0.210 0.000 0.874 264 E CB 0.234 29.991 29.700 0.094 0.000 1.011 264 E HN 0.346 nan 8.360 nan 0.000 0.474 265 T N 1.355 116.081 114.554 0.286 0.000 2.795 265 T HA 0.128 4.486 4.350 0.012 0.000 0.282 265 T C -0.136 174.543 174.700 -0.036 0.000 0.980 265 T CA -0.467 61.717 62.100 0.141 0.000 1.012 265 T CB 1.947 70.844 68.868 0.047 0.000 0.936 265 T HN 0.024 nan 8.240 nan 0.000 0.457 266 Q N 2.740 122.259 119.800 -0.469 0.000 2.307 266 Q HA 0.289 4.636 4.340 0.012 0.000 0.259 266 Q C 0.906 176.627 176.000 -0.464 0.000 0.998 266 Q CA -0.440 54.742 55.803 -1.036 0.000 0.923 266 Q CB 0.626 28.546 28.738 -1.363 0.000 1.196 266 Q HN 0.699 nan 8.270 nan 0.000 0.416 267 V N 1.009 120.730 119.914 -0.321 0.000 3.307 267 V HA 0.599 4.727 4.120 0.012 0.000 0.253 267 V C 0.295 176.298 176.094 -0.152 0.000 1.149 267 V CA 0.722 62.934 62.300 -0.146 0.000 1.112 267 V CB 0.146 31.970 31.823 0.002 0.000 0.777 267 V HN 0.636 nan 8.190 nan 0.000 0.464 268 A N -0.897 121.805 122.820 -0.197 0.000 2.610 268 A HA 0.842 5.169 4.320 0.012 0.000 0.291 268 A C -0.659 176.827 177.584 -0.164 0.000 1.086 268 A CA 0.169 52.119 52.037 -0.145 0.000 0.677 268 A CB 1.620 20.565 19.000 -0.092 0.000 1.278 268 A HN 0.636 nan 8.150 nan 0.000 0.414 269 S N -1.355 114.277 115.700 -0.113 0.000 2.558 269 S HA 0.739 5.217 4.470 0.012 0.000 0.277 269 S C -0.665 173.901 174.600 -0.056 0.000 1.143 269 S CA 0.195 58.343 58.200 -0.086 0.000 0.865 269 S CB 1.606 64.745 63.200 -0.102 0.000 1.102 269 S HN 2.309 nan 8.310 nan 0.000 0.454 270 G N 1.526 110.304 108.800 -0.037 0.000 2.706 270 G HA2 0.650 4.617 3.960 0.012 0.000 0.297 270 G HA3 0.650 4.617 3.960 0.012 0.000 0.297 270 G C -1.426 173.466 174.900 -0.014 0.000 1.403 270 G CA -0.393 44.689 45.100 -0.031 0.000 0.954 270 G HN 0.681 nan 8.290 nan 0.000 0.500 271 T N -0.060 114.488 114.554 -0.009 0.000 2.876 271 T HA 0.844 5.202 4.350 0.012 0.000 0.289 271 T C -0.256 174.421 174.700 -0.040 0.000 1.014 271 T CA -0.063 62.042 62.100 0.008 0.000 0.986 271 T CB 1.794 70.703 68.868 0.070 0.000 1.021 271 T HN 1.465 nan 8.240 nan 0.000 0.458 272 A N 3.559 126.321 122.820 -0.095 0.000 2.606 272 A HA 0.934 5.261 4.320 0.012 0.000 0.293 272 A C -3.065 174.410 177.584 -0.181 0.000 1.082 272 A CA -1.648 50.317 52.037 -0.120 0.000 0.685 272 A CB 1.290 20.210 19.000 -0.134 0.000 1.284 272 A HN 0.536 nan 8.150 nan 0.000 0.408 273 P HA 0.541 nan 4.420 nan 0.000 0.279 273 P C -0.648 176.551 177.300 -0.168 0.000 1.276 273 P CA -0.289 62.749 63.100 -0.104 0.000 0.801 273 P CB 0.357 32.042 31.700 -0.024 0.000 1.127 274 F N -0.353 119.553 119.950 -0.072 0.000 2.406 274 F HA 0.498 5.033 4.527 0.012 0.000 0.327 274 F C 1.394 177.173 175.800 -0.036 0.000 1.153 274 F CA 1.388 59.355 58.000 -0.054 0.000 1.218 274 F CB 0.336 39.297 39.000 -0.065 0.000 1.215 274 F HN 0.579 nan 8.300 nan 0.000 0.570 275 G N 1.508 110.416 108.800 0.180 0.000 2.781 275 G HA2 0.338 4.306 3.960 0.012 0.000 0.468 275 G HA3 0.338 4.306 3.960 0.012 0.000 0.468 275 G C -0.427 174.513 174.900 0.068 0.000 1.186 275 G CA -0.740 44.427 45.100 0.112 0.000 1.220 275 G HN 1.039 nan 8.290 nan 0.000 0.564 276 G N 1.101 109.964 108.800 0.105 0.000 2.616 276 G HA2 0.663 4.630 3.960 0.012 0.000 0.268 276 G HA3 0.663 4.630 3.960 0.012 0.000 0.268 276 G C 0.561 175.499 174.900 0.062 0.000 1.213 276 G CA -0.002 45.148 45.100 0.083 0.000 0.926 276 G HN 0.988 nan 8.290 nan 0.000 0.523 277 E N -0.307 119.921 120.200 0.048 0.000 2.442 277 E HA -0.025 4.332 4.350 0.012 0.000 0.260 277 E C 0.222 176.844 176.600 0.036 0.000 1.148 277 E CA -0.192 56.228 56.400 0.032 0.000 0.976 277 E CB 0.683 30.398 29.700 0.025 0.000 0.967 277 E HN 0.316 nan 8.360 nan 0.000 0.454 278 I N 1.662 122.242 120.570 0.016 0.000 2.648 278 I HA -0.089 4.088 4.170 0.012 0.000 0.284 278 I C 1.517 177.642 176.117 0.013 0.000 1.153 278 I CA 0.359 61.661 61.300 0.004 0.000 1.426 278 I CB 0.254 38.252 38.000 -0.003 0.000 1.381 278 I HN 0.586 nan 8.210 nan 0.000 0.571 279 I N 1.850 122.422 120.570 0.004 0.000 4.032 279 I HA 0.285 4.462 4.170 0.012 0.000 0.313 279 I C -0.141 175.977 176.117 0.002 0.000 1.272 279 I CA 0.047 61.359 61.300 0.021 0.000 1.307 279 I CB 0.583 38.625 38.000 0.071 0.000 1.155 279 I HN 0.625 nan 8.210 nan 0.000 0.431 280 D N -0.332 120.054 120.400 -0.023 0.000 2.838 280 D HA 0.184 4.832 4.640 0.012 0.000 0.334 280 D C 0.285 176.568 176.300 -0.029 0.000 1.315 280 D CA -0.483 53.504 54.000 -0.022 0.000 0.917 280 D CB 0.609 41.396 40.800 -0.021 0.000 1.435 280 D HN -0.121 nan 8.370 nan 0.000 0.517 281 E N -1.052 119.134 120.200 -0.024 0.000 2.209 281 E HA -0.052 4.305 4.350 0.012 0.000 0.196 281 E C 1.373 177.954 176.600 -0.032 0.000 0.993 281 E CA 1.012 57.399 56.400 -0.023 0.000 0.819 281 E CB 0.006 29.695 29.700 -0.017 0.000 0.745 281 E HN 0.215 nan 8.360 nan 0.000 0.477 282 R N -0.443 120.030 120.500 -0.045 0.000 2.317 282 R HA 0.266 4.614 4.340 0.012 0.000 0.208 282 R C 0.888 177.145 176.300 -0.071 0.000 0.914 282 R CA 0.724 56.790 56.100 -0.057 0.000 1.060 282 R CB 0.617 30.877 30.300 -0.066 0.000 1.015 282 R HN 0.223 nan 8.270 nan 0.000 0.498 283 G N -0.565 108.194 108.800 -0.067 0.000 2.460 283 G HA2 -0.107 3.861 3.960 0.012 0.000 0.207 283 G HA3 -0.107 3.861 3.960 0.012 0.000 0.207 283 G C -0.223 174.624 174.900 -0.089 0.000 1.170 283 G CA -0.590 44.470 45.100 -0.067 0.000 1.151 283 G HN 0.504 nan 8.290 nan 0.000 0.575 284 G N -2.015 106.724 108.800 -0.101 0.000 3.022 284 G HA2 0.627 4.595 3.960 0.012 0.000 0.284 284 G HA3 0.627 4.595 3.960 0.012 0.000 0.284 284 G C -1.693 173.096 174.900 -0.186 0.000 1.375 284 G CA -0.647 44.392 45.100 -0.101 0.000 0.902 284 G HN 0.777 nan 8.290 nan 0.000 0.538 285 Y N 1.209 121.520 120.300 0.019 0.000 2.556 285 Y HA 0.427 4.984 4.550 0.012 0.000 0.352 285 Y C 1.451 177.378 175.900 0.045 0.000 1.006 285 Y CA 0.233 58.350 58.100 0.028 0.000 1.277 285 Y CB 1.527 40.009 38.460 0.036 0.000 1.136 285 Y HN 0.552 nan 8.280 nan 0.000 0.523 286 A N 1.764 124.650 122.820 0.111 0.000 2.168 286 A HA -0.114 4.214 4.320 0.012 0.000 0.215 286 A C 1.331 178.994 177.584 0.131 0.000 1.152 286 A CA 1.224 53.318 52.037 0.095 0.000 0.716 286 A CB -0.264 18.749 19.000 0.022 0.000 0.794 286 A HN 0.756 nan 8.150 nan 0.000 0.465 287 D N -0.789 119.701 120.400 0.150 0.000 2.358 287 D HA 0.133 4.780 4.640 0.012 0.000 0.224 287 D C 0.503 176.966 176.300 0.272 0.000 1.123 287 D CA -0.035 54.004 54.000 0.066 0.000 0.833 287 D CB 0.003 40.805 40.800 0.003 0.000 0.946 287 D HN 0.388 nan 8.370 nan 0.000 0.505 288 R N -0.780 119.957 120.500 0.394 0.000 2.836 288 R HA 0.755 5.103 4.340 0.012 0.000 0.269 288 R C -1.552 174.858 176.300 0.183 0.000 1.010 288 R CA -1.173 55.117 56.100 0.317 0.000 0.930 288 R CB 3.017 33.369 30.300 0.088 0.000 1.218 288 R HN -0.022 nan 8.270 nan 0.000 0.473 289 V N 0.173 120.053 119.914 -0.057 0.000 3.048 289 V HA 0.503 4.631 4.120 0.012 0.000 0.303 289 V C -1.572 174.431 176.094 -0.153 0.000 1.214 289 V CA -0.266 61.912 62.300 -0.202 0.000 0.984 289 V CB 2.720 34.230 31.823 -0.522 0.000 1.054 289 V HN 0.804 nan 8.190 nan 0.000 0.430 290 T N 7.484 121.971 114.554 -0.112 0.000 2.815 290 T HA 0.557 4.914 4.350 0.012 0.000 0.289 290 T C -0.930 173.721 174.700 -0.083 0.000 1.000 290 T CA -0.376 61.675 62.100 -0.082 0.000 0.958 290 T CB 0.982 69.819 68.868 -0.052 0.000 0.944 290 T HN 0.442 nan 8.240 nan 0.000 0.442 291 L N 3.817 124.993 121.223 -0.079 0.000 2.307 291 L HA 0.558 4.905 4.340 0.012 0.000 0.282 291 L C 0.512 177.351 176.870 -0.052 0.000 1.051 291 L CA -0.262 54.536 54.840 -0.070 0.000 0.804 291 L CB 1.156 43.175 42.059 -0.067 0.000 1.197 291 L HN 0.535 nan 8.230 nan 0.000 0.431 292 R N 3.689 124.159 120.500 -0.049 0.000 2.439 292 R HA 0.624 4.972 4.340 0.012 0.000 0.310 292 R C -1.362 174.912 176.300 -0.043 0.000 0.955 292 R CA -0.979 55.094 56.100 -0.045 0.000 0.853 292 R CB 2.048 32.321 30.300 -0.044 0.000 1.171 292 R HN 0.237 nan 8.270 nan 0.000 0.449 293 L N 2.896 124.095 121.223 -0.040 0.000 2.333 293 L HA 0.360 4.708 4.340 0.012 0.000 0.280 293 L C -0.290 176.556 176.870 -0.040 0.000 1.004 293 L CA -0.591 54.225 54.840 -0.039 0.000 0.820 293 L CB 1.543 43.585 42.059 -0.029 0.000 1.247 293 L HN 0.447 nan 8.230 nan 0.000 0.416 294 N N 2.343 121.014 118.700 -0.048 0.000 2.499 294 N HA 0.498 5.246 4.740 0.012 0.000 0.281 294 N C -0.994 174.474 175.510 -0.069 0.000 1.098 294 N CA -0.244 52.773 53.050 -0.055 0.000 0.979 294 N CB 2.273 40.730 38.487 -0.051 0.000 1.121 294 N HN 0.205 nan 8.380 nan 0.000 0.466 295 V N 2.075 121.934 119.914 -0.091 0.000 2.483 295 V HA 0.204 4.331 4.120 0.012 0.000 0.297 295 V C -0.107 175.905 176.094 -0.136 0.000 1.027 295 V CA -0.877 61.332 62.300 -0.152 0.000 0.855 295 V CB 1.948 33.587 31.823 -0.306 0.000 0.995 295 V HN 0.455 nan 8.190 nan 0.000 0.424 296 E N 2.862 123.006 120.200 -0.094 0.000 2.283 296 E HA 0.289 4.647 4.350 0.012 0.000 0.278 296 E C 0.274 176.849 176.600 -0.042 0.000 1.027 296 E CA -0.329 56.039 56.400 -0.053 0.000 0.843 296 E CB 0.593 30.274 29.700 -0.033 0.000 1.062 296 E HN 0.744 nan 8.360 nan 0.000 0.401 297 N N 1.158 119.857 118.700 -0.002 0.000 2.705 297 N HA -0.152 4.595 4.740 0.012 0.000 0.255 297 N C -2.465 173.048 175.510 0.005 0.000 1.008 297 N CA 0.111 53.176 53.050 0.024 0.000 0.742 297 N CB -1.018 37.482 38.487 0.022 0.000 0.906 297 N HN 0.324 nan 8.380 nan 0.000 0.541 298 P HA -0.034 nan 4.420 nan 0.000 0.267 298 P C -0.409 176.923 177.300 0.052 0.000 1.200 298 P CA 0.477 63.478 63.100 -0.164 0.000 0.772 298 P CB 0.684 32.111 31.700 -0.455 0.000 0.855 299 K N 2.552 123.065 120.400 0.188 0.000 2.316 299 K HA 0.279 4.607 4.320 0.012 0.000 0.289 299 K C 0.210 176.964 176.600 0.256 0.000 1.070 299 K CA -0.375 56.016 56.287 0.174 0.000 0.928 299 K CB 0.132 32.697 32.500 0.108 0.000 1.039 299 K HN 0.423 nan 8.250 nan 0.000 0.480 300 L N 2.504 123.807 121.223 0.135 0.000 2.418 300 L HA 0.295 4.642 4.340 0.012 0.000 0.265 300 L C 0.047 176.999 176.870 0.136 0.000 1.143 300 L CA -0.790 54.139 54.840 0.148 0.000 0.809 300 L CB 0.424 42.415 42.059 -0.113 0.000 1.124 300 L HN 0.604 nan 8.230 nan 0.000 0.456 301 W N 2.730 124.066 121.300 0.060 0.000 2.376 301 W HA 0.488 5.155 4.660 0.011 0.000 0.322 301 W C -0.010 176.464 176.519 -0.075 0.000 1.160 301 W CA 0.096 57.459 57.345 0.031 0.000 1.218 301 W CB 1.334 30.865 29.460 0.119 0.000 1.205 301 W HN 0.612 nan 8.180 nan 0.000 0.559 302 S N 2.817 117.949 115.700 -0.947 0.000 2.643 302 S HA 0.641 5.118 4.470 0.012 0.000 0.270 302 S C 0.071 173.865 174.600 -1.343 0.000 1.166 302 S CA -0.355 57.331 58.200 -0.857 0.000 0.815 302 S CB 1.073 64.078 63.200 -0.325 0.000 1.139 302 S HN 1.029 nan 8.310 nan 0.000 0.472 303 A N 0.420 122.615 122.820 -1.040 0.000 2.014 303 A HA 0.083 4.411 4.320 0.012 0.000 0.218 303 A C 1.776 179.032 177.584 -0.546 0.000 1.163 303 A CA 1.398 52.849 52.037 -0.977 0.000 0.652 303 A CB -0.968 17.342 19.000 -1.150 0.000 0.808 303 A HN 0.868 nan 8.150 nan 0.000 0.449 304 E N -0.886 119.129 120.200 -0.310 0.000 2.072 304 E HA -0.011 4.346 4.350 0.012 0.000 0.191 304 E C -0.374 176.093 176.600 -0.222 0.000 0.985 304 E CA 0.790 57.078 56.400 -0.187 0.000 0.801 304 E CB -0.011 29.716 29.700 0.045 0.000 0.750 304 E HN 0.614 nan 8.360 nan 0.000 0.452 305 I N 1.277 121.689 120.570 -0.264 0.000 2.560 305 I HA 0.138 4.316 4.170 0.012 0.000 0.278 305 I C -2.479 173.420 176.117 -0.364 0.000 1.089 305 I CA -1.809 59.358 61.300 -0.222 0.000 1.086 305 I CB 2.291 40.208 38.000 -0.139 0.000 1.202 305 I HN -0.201 nan 8.210 nan 0.000 0.471 306 P HA 0.081 nan 4.420 nan 0.000 0.225 306 P C -0.598 176.669 177.300 -0.054 0.000 1.768 306 P CA -0.244 62.550 63.100 -0.510 0.000 0.943 306 P CB -0.296 31.258 31.700 -0.244 0.000 1.936 307 N N 1.565 120.257 118.700 -0.014 0.000 2.412 307 N HA 0.097 4.844 4.740 0.012 0.000 0.258 307 N C 0.132 175.842 175.510 0.332 0.000 1.236 307 N CA 0.554 53.676 53.050 0.120 0.000 0.882 307 N CB 0.650 39.207 38.487 0.117 0.000 1.066 307 N HN 0.292 nan 8.380 nan 0.000 0.465 308 L N 2.184 123.536 121.223 0.214 0.000 2.371 308 L HA 0.478 4.825 4.340 0.012 0.000 0.262 308 L C -0.765 176.198 176.870 0.155 0.000 1.006 308 L CA -0.876 54.150 54.840 0.309 0.000 0.818 308 L CB 1.295 43.505 42.059 0.252 0.000 1.354 308 L HN 0.379 nan 8.230 nan 0.000 0.415 309 Y N 0.165 120.622 120.300 0.262 0.000 2.631 309 Y HA 0.670 5.227 4.550 0.013 0.000 0.328 309 Y C -0.150 175.875 175.900 0.209 0.000 1.118 309 Y CA -0.796 57.455 58.100 0.251 0.000 1.206 309 Y CB 1.542 40.210 38.460 0.347 0.000 1.337 309 Y HN 0.373 nan 8.280 nan 0.000 0.515 310 R N 0.971 121.712 120.500 0.402 0.000 2.480 310 R HA 0.784 5.131 4.340 0.012 0.000 0.306 310 R C -1.631 174.858 176.300 0.314 0.000 0.958 310 R CA -0.546 55.718 56.100 0.273 0.000 0.861 310 R CB 1.045 31.439 30.300 0.157 0.000 1.171 310 R HN 0.734 nan 8.270 nan 0.000 0.445 311 A N 3.933 126.883 122.820 0.217 0.000 2.276 311 A HA 0.609 4.937 4.320 0.012 0.000 0.316 311 A C -0.978 176.664 177.584 0.097 0.000 1.229 311 A CA -0.645 51.500 52.037 0.181 0.000 0.851 311 A CB 1.214 20.288 19.000 0.123 0.000 1.165 311 A HN 0.490 nan 8.150 nan 0.000 0.513 312 V N 3.273 123.251 119.914 0.107 0.000 2.417 312 V HA 0.366 4.494 4.120 0.012 0.000 0.291 312 V C -0.287 175.780 176.094 -0.045 0.000 1.024 312 V CA -0.483 61.813 62.300 -0.005 0.000 0.861 312 V CB 1.597 33.422 31.823 0.004 0.000 0.985 312 V HN 0.599 nan 8.190 nan 0.000 0.436 313 V N 4.957 124.778 119.914 -0.154 0.000 2.294 313 V HA 0.367 4.494 4.120 0.012 0.000 0.272 313 V C 0.025 176.060 176.094 -0.098 0.000 1.027 313 V CA -0.547 61.638 62.300 -0.191 0.000 0.823 313 V CB 0.953 32.495 31.823 -0.469 0.000 1.030 313 V HN 0.924 nan 8.190 nan 0.000 0.457 314 E N 3.949 124.148 120.200 -0.001 0.000 2.156 314 E HA 0.482 4.840 4.350 0.012 0.000 0.279 314 E C -0.871 175.834 176.600 0.175 0.000 0.965 314 E CA -0.814 55.635 56.400 0.081 0.000 0.789 314 E CB 2.371 32.131 29.700 0.100 0.000 1.098 314 E HN 0.439 nan 8.360 nan 0.000 0.397 315 L N 4.706 126.012 121.223 0.138 0.000 2.272 315 L HA 0.392 4.740 4.340 0.012 0.000 0.289 315 L C -0.986 176.008 176.870 0.205 0.000 1.032 315 L CA 0.056 54.979 54.840 0.138 0.000 0.810 315 L CB 0.091 42.205 42.059 0.092 0.000 1.205 315 L HN 0.678 nan 8.230 nan 0.000 0.422 316 H N 0.075 119.207 119.070 0.102 0.000 2.981 316 H HA 0.686 5.250 4.556 0.012 0.000 0.327 316 H C -0.787 174.623 175.328 0.138 0.000 1.342 316 H CA -0.544 55.559 56.048 0.091 0.000 1.123 316 H CB 0.521 30.315 29.762 0.053 0.000 1.851 316 H HN 0.517 nan 8.280 nan 0.000 0.531 317 T N -1.658 113.036 114.554 0.234 0.000 2.904 317 T HA 0.477 4.835 4.350 0.012 0.000 0.290 317 T C 1.465 176.306 174.700 0.235 0.000 1.018 317 T CA -0.300 61.923 62.100 0.205 0.000 1.075 317 T CB 1.409 70.311 68.868 0.057 0.000 0.986 317 T HN 0.936 nan 8.240 nan 0.000 0.523 318 A N 1.199 124.126 122.820 0.179 0.000 1.978 318 A HA -0.070 4.257 4.320 0.012 0.000 0.220 318 A C 1.803 179.486 177.584 0.165 0.000 1.170 318 A CA 1.468 53.604 52.037 0.166 0.000 0.636 318 A CB -0.854 18.217 19.000 0.119 0.000 0.810 318 A HN 0.858 nan 8.150 nan 0.000 0.448 319 D N -1.494 118.974 120.400 0.112 0.000 2.363 319 D HA 0.276 4.923 4.640 0.012 0.000 0.226 319 D C 1.305 177.641 176.300 0.060 0.000 1.020 319 D CA 1.200 55.239 54.000 0.065 0.000 0.892 319 D CB 0.128 40.942 40.800 0.024 0.000 0.900 319 D HN 0.621 nan 8.370 nan 0.000 0.531 320 G N -0.546 108.318 108.800 0.107 0.000 2.205 320 G HA2 -0.202 3.765 3.960 0.012 0.000 0.180 320 G HA3 -0.202 3.765 3.960 0.012 0.000 0.180 320 G C 0.447 175.369 174.900 0.037 0.000 1.004 320 G CA -0.202 44.927 45.100 0.048 0.000 0.670 320 G HN 0.252 nan 8.290 nan 0.000 0.496 321 T N 2.077 116.673 114.554 0.070 0.000 2.729 321 T HA 0.521 4.878 4.350 0.012 0.000 0.296 321 T C 0.168 174.925 174.700 0.095 0.000 0.928 321 T CA -0.189 61.941 62.100 0.049 0.000 1.045 321 T CB 1.748 70.628 68.868 0.020 0.000 0.902 321 T HN 0.565 nan 8.240 nan 0.000 0.500 322 L N 5.333 126.591 121.223 0.057 0.000 2.360 322 L HA 0.347 4.694 4.340 0.012 0.000 0.276 322 L C 0.833 177.748 176.870 0.074 0.000 1.121 322 L CA 0.344 55.233 54.840 0.082 0.000 0.845 322 L CB 0.045 42.121 42.059 0.029 0.000 1.143 322 L HN 0.681 nan 8.230 nan 0.000 0.452 323 I N 2.806 123.433 120.570 0.095 0.000 2.270 323 I HA 0.064 4.242 4.170 0.012 0.000 0.239 323 I C 0.334 176.473 176.117 0.037 0.000 1.080 323 I CA 0.687 62.024 61.300 0.061 0.000 1.383 323 I CB 0.048 38.088 38.000 0.067 0.000 1.097 323 I HN 0.813 nan 8.210 nan 0.000 0.420 324 E N 0.129 120.352 120.200 0.038 0.000 2.401 324 E HA 0.718 5.076 4.350 0.012 0.000 0.280 324 E C -1.443 175.175 176.600 0.029 0.000 1.039 324 E CA -1.093 55.319 56.400 0.021 0.000 0.814 324 E CB 1.820 31.500 29.700 -0.032 0.000 1.275 324 E HN 0.027 nan 8.360 nan 0.000 0.448 325 A N 1.479 124.337 122.820 0.065 0.000 2.386 325 A HA 0.687 5.014 4.320 0.012 0.000 0.311 325 A C -0.834 176.830 177.584 0.133 0.000 1.068 325 A CA -0.724 51.350 52.037 0.062 0.000 0.743 325 A CB 1.461 20.492 19.000 0.051 0.000 1.258 325 A HN 0.533 nan 8.150 nan 0.000 0.429 326 E N -0.268 119.937 120.200 0.008 0.000 2.355 326 E HA 0.857 5.214 4.350 0.012 0.000 0.261 326 E C -0.447 176.167 176.600 0.023 0.000 0.943 326 E CA -0.517 55.939 56.400 0.093 0.000 0.806 326 E CB 2.344 31.985 29.700 -0.098 0.000 1.286 326 E HN 1.170 nan 8.360 nan 0.000 0.424 327 A N -0.245 122.697 122.820 0.202 0.000 2.566 327 A HA 0.677 5.005 4.320 0.012 0.000 0.290 327 A C -1.251 176.514 177.584 0.302 0.000 1.071 327 A CA -0.356 51.739 52.037 0.097 0.000 0.658 327 A CB 0.656 19.646 19.000 -0.018 0.000 1.285 327 A HN 0.862 nan 8.150 nan 0.000 0.427 328 C N -0.536 118.906 119.300 0.238 0.000 3.285 328 C HA 0.799 5.266 4.460 0.012 0.000 0.325 328 C C -1.367 173.726 174.990 0.172 0.000 1.304 328 C CA -0.925 58.241 59.018 0.246 0.000 1.319 328 C CB 1.064 28.978 27.740 0.291 0.000 1.640 328 C HN 0.828 nan 8.230 nan 0.000 0.477 329 D N 1.097 121.584 120.400 0.145 0.000 2.345 329 D HA 0.536 5.184 4.640 0.012 0.000 0.247 329 D C -0.283 176.086 176.300 0.115 0.000 1.108 329 D CA 0.202 54.289 54.000 0.146 0.000 0.894 329 D CB 1.803 42.690 40.800 0.144 0.000 1.203 329 D HN 0.553 nan 8.370 nan 0.000 0.430 330 V N 1.133 121.144 119.914 0.163 0.000 2.555 330 V HA 0.670 4.798 4.120 0.012 0.000 0.302 330 V C 0.585 176.764 176.094 0.143 0.000 1.038 330 V CA -0.826 61.519 62.300 0.075 0.000 0.887 330 V CB 2.065 33.916 31.823 0.047 0.000 0.991 330 V HN 0.605 nan 8.190 nan 0.000 0.434 331 G N 2.955 111.740 108.800 -0.026 0.000 2.487 331 G HA2 0.600 4.568 3.960 0.012 0.000 0.314 331 G HA3 0.600 4.568 3.960 0.012 0.000 0.314 331 G C -1.013 173.978 174.900 0.151 0.000 1.267 331 G CA -0.392 44.785 45.100 0.127 0.000 0.937 331 G HN 0.423 nan 8.290 nan 0.000 0.481 332 F N 4.045 124.195 119.950 0.333 0.000 2.462 332 F HA 0.422 4.956 4.527 0.012 0.000 0.360 332 F C 1.161 177.221 175.800 0.432 0.000 1.134 332 F CA -0.033 58.214 58.000 0.413 0.000 1.148 332 F CB 0.646 39.911 39.000 0.441 0.000 1.147 332 F HN 0.449 nan 8.300 nan 0.000 0.550 333 R N 3.172 123.964 120.500 0.487 0.000 2.663 333 R HA 0.415 4.762 4.340 0.012 0.000 0.267 333 R C -1.821 174.653 176.300 0.290 0.000 1.038 333 R CA -0.812 55.436 56.100 0.246 0.000 0.886 333 R CB 1.630 32.107 30.300 0.295 0.000 1.249 333 R HN 0.589 nan 8.270 nan 0.000 0.463 334 E N 2.151 122.435 120.200 0.139 0.000 2.199 334 E HA 0.480 4.838 4.350 0.012 0.000 0.269 334 E C -1.250 175.435 176.600 0.141 0.000 0.899 334 E CA -0.918 55.636 56.400 0.257 0.000 0.772 334 E CB 2.181 32.104 29.700 0.371 0.000 1.155 334 E HN 0.396 nan 8.360 nan 0.000 0.408 335 V N 5.268 125.255 119.914 0.122 0.000 2.448 335 V HA 0.579 4.707 4.120 0.012 0.000 0.295 335 V C -0.235 175.904 176.094 0.074 0.000 1.025 335 V CA -0.637 61.705 62.300 0.070 0.000 0.859 335 V CB 1.230 33.071 31.823 0.030 0.000 0.988 335 V HN 0.757 nan 8.190 nan 0.000 0.431 336 R N 4.123 124.662 120.500 0.066 0.000 2.710 336 R HA 0.740 5.088 4.340 0.012 0.000 0.270 336 R C -2.072 174.257 176.300 0.050 0.000 1.021 336 R CA -0.920 55.220 56.100 0.067 0.000 0.889 336 R CB 1.913 32.267 30.300 0.090 0.000 1.243 336 R HN 0.510 nan 8.270 nan 0.000 0.464 337 I N 1.284 121.883 120.570 0.048 0.000 2.354 337 I HA 0.352 4.529 4.170 0.012 0.000 0.292 337 I C -0.668 175.473 176.117 0.041 0.000 0.989 337 I CA -0.428 60.894 61.300 0.036 0.000 1.188 337 I CB 1.899 39.921 38.000 0.037 0.000 1.342 337 I HN 0.710 nan 8.210 nan 0.000 0.457 338 E N 5.837 126.058 120.200 0.034 0.000 2.278 338 E HA 0.272 4.629 4.350 0.012 0.000 0.272 338 E C -0.322 176.295 176.600 0.027 0.000 0.890 338 E CA -0.510 55.911 56.400 0.036 0.000 0.770 338 E CB 0.993 30.720 29.700 0.046 0.000 1.212 338 E HN 0.532 nan 8.360 nan 0.000 0.415 339 N N 3.138 121.853 118.700 0.025 0.000 2.747 339 N HA -0.221 4.527 4.740 0.012 0.000 0.249 339 N C 0.427 175.945 175.510 0.013 0.000 1.107 339 N CA 2.050 55.112 53.050 0.019 0.000 0.707 339 N CB -1.173 37.325 38.487 0.017 0.000 1.054 339 N HN 0.981 nan 8.380 nan 0.000 0.555 340 G N -2.309 106.499 108.800 0.014 0.000 2.175 340 G HA2 -0.269 3.698 3.960 0.012 0.000 0.244 340 G HA3 -0.269 3.698 3.960 0.012 0.000 0.244 340 G C -0.110 174.787 174.900 -0.005 0.000 0.982 340 G CA 0.431 45.535 45.100 0.006 0.000 0.641 340 G HN 0.436 nan 8.290 nan 0.000 0.527 341 L N 0.116 121.337 121.223 -0.003 0.000 2.362 341 L HA 0.727 5.075 4.340 0.012 0.000 0.271 341 L C -0.051 176.810 176.870 -0.014 0.000 1.002 341 L CA -1.339 53.491 54.840 -0.017 0.000 0.818 341 L CB 1.907 43.957 42.059 -0.016 0.000 1.298 341 L HN 0.103 nan 8.230 nan 0.000 0.420 342 L N 4.049 125.251 121.223 -0.035 0.000 2.281 342 L HA 0.474 4.822 4.340 0.012 0.000 0.285 342 L C -0.884 175.965 176.870 -0.035 0.000 1.074 342 L CA 0.335 55.156 54.840 -0.032 0.000 0.817 342 L CB 0.504 42.529 42.059 -0.057 0.000 1.168 342 L HN 0.372 nan 8.230 nan 0.000 0.434 343 L N 5.872 127.091 121.223 -0.006 0.000 2.334 343 L HA 0.558 4.905 4.340 0.012 0.000 0.276 343 L C -0.853 176.027 176.870 0.017 0.000 1.014 343 L CA -0.849 53.996 54.840 0.009 0.000 0.815 343 L CB 1.915 44.002 42.059 0.048 0.000 1.268 343 L HN 0.549 nan 8.230 nan 0.000 0.428 344 L N 3.682 124.925 121.223 0.034 0.000 2.349 344 L HA 0.493 4.840 4.340 0.012 0.000 0.278 344 L C -0.109 176.777 176.870 0.026 0.000 0.996 344 L CA 0.005 54.874 54.840 0.049 0.000 0.825 344 L CB 0.968 43.079 42.059 0.086 0.000 1.243 344 L HN 0.608 nan 8.230 nan 0.000 0.412 345 N N 4.034 122.619 118.700 -0.190 0.000 2.708 345 N HA -0.223 4.524 4.740 0.012 0.000 0.249 345 N C 0.910 176.059 175.510 -0.603 0.000 1.097 345 N CA 1.336 53.934 53.050 -0.753 0.000 0.710 345 N CB -1.402 36.538 38.487 -0.911 0.000 1.032 345 N HN 1.199 nan 8.380 nan 0.000 0.551 346 G N -2.155 106.598 108.800 -0.079 0.000 2.179 346 G HA2 -0.345 3.622 3.960 0.012 0.000 0.260 346 G HA3 -0.345 3.622 3.960 0.012 0.000 0.260 346 G C -0.064 174.876 174.900 0.066 0.000 0.977 346 G CA 0.876 46.042 45.100 0.111 0.000 0.641 346 G HN 0.406 nan 8.290 nan 0.000 0.533 347 K N 0.541 120.973 120.400 0.052 0.000 2.259 347 K HA 0.580 4.907 4.320 0.012 0.000 0.249 347 K C -2.855 173.729 176.600 -0.027 0.000 0.942 347 K CA -2.323 53.960 56.287 -0.006 0.000 0.816 347 K CB 2.269 34.704 32.500 -0.109 0.000 1.155 347 K HN -0.006 nan 8.250 nan 0.000 0.428 348 P HA 0.237 nan 4.420 nan 0.000 0.276 348 P C -0.140 177.100 177.300 -0.100 0.000 1.243 348 P CA -0.234 62.825 63.100 -0.068 0.000 0.768 348 P CB 0.482 32.142 31.700 -0.066 0.000 0.856 349 L N 3.162 124.320 121.223 -0.109 0.000 2.456 349 L HA 0.366 4.714 4.340 0.012 0.000 0.257 349 L C 0.476 177.265 176.870 -0.135 0.000 1.162 349 L CA -0.672 54.090 54.840 -0.129 0.000 0.808 349 L CB 0.378 42.317 42.059 -0.199 0.000 1.136 349 L HN 0.236 nan 8.230 nan 0.000 0.466 350 L N 3.036 124.196 121.223 -0.105 0.000 2.377 350 L HA 0.431 4.778 4.340 0.012 0.000 0.270 350 L C -0.649 176.171 176.870 -0.085 0.000 0.991 350 L CA -0.257 54.503 54.840 -0.133 0.000 0.851 350 L CB 0.989 42.998 42.059 -0.083 0.000 1.218 350 L HN 0.230 nan 8.230 nan 0.000 0.420 351 I N 5.286 125.733 120.570 -0.205 0.000 2.421 351 I HA 0.203 4.380 4.170 0.012 0.000 0.291 351 I C 0.558 176.640 176.117 -0.059 0.000 1.089 351 I CA 0.185 61.377 61.300 -0.180 0.000 1.354 351 I CB 0.300 38.058 38.000 -0.402 0.000 1.413 351 I HN 0.566 nan 8.210 nan 0.000 0.513 352 R N 4.951 125.507 120.500 0.094 0.000 3.070 352 R HA 0.431 4.779 4.340 0.012 0.000 0.252 352 R C 0.585 177.024 176.300 0.233 0.000 1.370 352 R CA -0.285 55.908 56.100 0.154 0.000 1.482 352 R CB 0.624 30.824 30.300 -0.166 0.000 1.220 352 R HN 0.734 nan 8.270 nan 0.000 0.622 353 G N 0.144 109.051 108.800 0.178 0.000 2.552 353 G HA2 0.583 4.550 3.960 0.012 0.000 0.324 353 G HA3 0.583 4.550 3.960 0.012 0.000 0.324 353 G C -1.215 174.041 174.900 0.593 0.000 1.217 353 G CA -0.475 44.746 45.100 0.202 0.000 0.989 353 G HN 0.217 nan 8.290 nan 0.000 0.490 354 V N -0.191 120.026 119.914 0.506 0.000 3.048 354 V HA 0.460 4.587 4.120 0.012 0.000 0.303 354 V C -1.222 175.011 176.094 0.232 0.000 1.214 354 V CA -1.209 61.249 62.300 0.262 0.000 0.984 354 V CB 2.239 33.897 31.823 -0.277 0.000 1.054 354 V HN 0.760 nan 8.190 nan 0.000 0.430 355 N N 4.252 123.012 118.700 0.100 0.000 2.499 355 N HA 0.433 5.181 4.740 0.012 0.000 0.281 355 N C -0.758 174.588 175.510 -0.274 0.000 1.098 355 N CA -0.294 52.687 53.050 -0.115 0.000 0.979 355 N CB 1.489 39.890 38.487 -0.143 0.000 1.121 355 N HN 0.642 nan 8.380 nan 0.000 0.466 356 R N 2.333 122.632 120.500 -0.334 0.000 2.502 356 R HA 0.235 4.582 4.340 0.012 0.000 0.300 356 R C -0.919 175.156 176.300 -0.374 0.000 0.984 356 R CA -0.554 55.373 56.100 -0.288 0.000 0.882 356 R CB 0.900 31.001 30.300 -0.333 0.000 1.180 356 R HN 0.580 nan 8.270 nan 0.000 0.444 357 H N 2.162 121.109 119.070 -0.205 0.000 2.508 357 H HA 0.160 4.723 4.556 0.013 0.000 0.358 357 H C -0.511 174.830 175.328 0.023 0.000 1.212 357 H CA 0.014 56.025 56.048 -0.062 0.000 1.356 357 H CB 1.476 31.262 29.762 0.040 0.000 1.525 357 H HN 0.573 nan 8.280 nan 0.000 0.578 358 E N 1.675 122.081 120.200 0.345 0.000 2.014 358 E HA 0.144 4.501 4.350 0.012 0.000 0.275 358 E C -0.818 175.936 176.600 0.258 0.000 0.997 358 E CA -0.135 56.378 56.400 0.188 0.000 0.804 358 E CB 0.562 30.379 29.700 0.195 0.000 1.090 358 E HN 0.375 nan 8.360 nan 0.000 0.401 359 H N 1.674 120.812 119.070 0.114 0.000 2.865 359 H HA 0.276 4.839 4.556 0.012 0.000 0.362 359 H C -1.727 173.663 175.328 0.103 0.000 1.114 359 H CA -0.637 55.475 56.048 0.108 0.000 1.208 359 H CB 1.088 30.906 29.762 0.093 0.000 1.727 359 H HN 0.416 nan 8.280 nan 0.000 0.534 360 H N 5.970 124.652 119.070 -0.647 0.000 2.759 360 H HA 0.226 4.789 4.556 0.012 0.000 0.354 360 H C -2.362 172.612 175.328 -0.590 0.000 1.074 360 H CA -2.392 53.422 56.048 -0.390 0.000 1.226 360 H CB 2.820 32.492 29.762 -0.149 0.000 1.648 360 H HN 0.528 nan 8.280 nan 0.000 0.529 361 P HA -0.041 nan 4.420 nan 0.000 0.223 361 P C 1.117 178.340 177.300 -0.128 0.000 1.151 361 P CA 0.686 63.671 63.100 -0.192 0.000 0.787 361 P CB 0.900 32.510 31.700 -0.150 0.000 0.788 362 L N -1.559 119.695 121.223 0.052 0.000 2.362 362 L HA 0.123 4.471 4.340 0.012 0.000 0.204 362 L C 2.288 178.957 176.870 -0.335 0.000 1.060 362 L CA 0.622 55.330 54.840 -0.221 0.000 0.827 362 L CB -0.741 41.039 42.059 -0.466 0.000 1.027 362 L HN -0.029 nan 8.230 nan 0.000 0.474 363 H N 0.064 119.066 119.070 -0.114 0.000 2.539 363 H HA 0.304 4.868 4.556 0.012 0.000 0.269 363 H C 1.368 176.578 175.328 -0.197 0.000 0.980 363 H CA 0.520 56.422 56.048 -0.243 0.000 1.152 363 H CB 0.145 29.637 29.762 -0.450 0.000 1.407 363 H HN 0.371 nan 8.280 nan 0.000 0.564 364 G N 1.483 110.192 108.800 -0.151 0.000 2.557 364 G HA2 -0.361 3.607 3.960 0.012 0.000 0.292 364 G HA3 -0.361 3.607 3.960 0.012 0.000 0.292 364 G C 0.703 175.518 174.900 -0.141 0.000 1.162 364 G CA 0.377 45.343 45.100 -0.223 0.000 0.964 364 G HN 0.445 nan 8.290 nan 0.000 0.541 365 Q N -0.159 119.595 119.800 -0.077 0.000 2.198 365 Q HA 0.470 4.818 4.340 0.012 0.000 0.209 365 Q C 0.366 176.477 176.000 0.185 0.000 0.848 365 Q CA -0.153 55.662 55.803 0.021 0.000 0.974 365 Q CB 1.299 29.952 28.738 -0.141 0.000 1.115 365 Q HN 0.381 nan 8.270 nan 0.000 0.494 366 V N 2.217 122.208 119.914 0.129 0.000 2.508 366 V HA 0.121 4.249 4.120 0.012 0.000 0.281 366 V C 0.238 176.377 176.094 0.074 0.000 1.041 366 V CA 0.361 62.732 62.300 0.118 0.000 1.016 366 V CB 0.736 32.561 31.823 0.004 0.000 0.984 366 V HN 0.326 nan 8.190 nan 0.000 0.478 367 M N 4.704 124.348 119.600 0.074 0.000 2.537 367 M HA 0.518 5.005 4.480 0.012 0.000 0.324 367 M C -0.570 175.672 176.300 -0.098 0.000 1.187 367 M CA -0.624 54.671 55.300 -0.008 0.000 0.993 367 M CB 1.742 34.296 32.600 -0.077 0.000 1.666 367 M HN 0.916 nan 8.290 nan 0.000 0.461 368 D N -1.416 118.938 120.400 -0.076 0.000 2.645 368 D HA 0.248 4.895 4.640 0.012 0.000 0.228 368 D C 0.332 176.608 176.300 -0.039 0.000 1.148 368 D CA -0.688 53.271 54.000 -0.068 0.000 0.860 368 D CB 1.427 42.211 40.800 -0.028 0.000 1.548 368 D HN 0.693 nan 8.370 nan 0.000 0.460 369 E N 0.252 120.441 120.200 -0.017 0.000 2.097 369 E HA -0.348 4.009 4.350 0.012 0.000 0.196 369 E C 1.597 178.240 176.600 0.070 0.000 1.000 369 E CA 1.436 57.856 56.400 0.034 0.000 0.804 369 E CB 0.140 29.876 29.700 0.061 0.000 0.740 369 E HN 0.630 nan 8.360 nan 0.000 0.454 370 Q N -0.482 119.361 119.800 0.072 0.000 2.050 370 Q HA -0.157 4.190 4.340 0.012 0.000 0.202 370 Q C 2.064 178.125 176.000 0.101 0.000 0.980 370 Q CA 2.231 58.086 55.803 0.087 0.000 0.840 370 Q CB -0.019 28.771 28.738 0.086 0.000 0.898 370 Q HN 0.293 nan 8.270 nan 0.000 0.424 371 T N 0.849 115.473 114.554 0.117 0.000 2.777 371 T HA -0.132 4.226 4.350 0.012 0.000 0.266 371 T C 1.812 176.592 174.700 0.133 0.000 1.040 371 T CA 1.474 63.655 62.100 0.135 0.000 1.141 371 T CB -0.134 68.841 68.868 0.177 0.000 0.868 371 T HN 0.303 nan 8.240 nan 0.000 0.444 372 M N 0.548 120.227 119.600 0.133 0.000 2.086 372 M HA -0.092 4.395 4.480 0.012 0.000 0.261 372 M C 2.483 178.897 176.300 0.190 0.000 1.067 372 M CA 1.303 56.746 55.300 0.239 0.000 1.116 372 M CB -0.719 32.067 32.600 0.311 0.000 1.348 372 M HN 0.083 nan 8.290 nan 0.000 0.407 373 V N 0.496 120.465 119.914 0.092 0.000 2.332 373 V HA -0.309 3.818 4.120 0.012 0.000 0.248 373 V C 2.415 178.490 176.094 -0.032 0.000 1.055 373 V CA 2.184 64.472 62.300 -0.019 0.000 1.038 373 V CB -0.861 30.988 31.823 0.043 0.000 0.651 373 V HN 0.579 nan 8.190 nan 0.000 0.450 374 Q N -0.393 119.442 119.800 0.058 0.000 2.050 374 Q HA -0.271 4.077 4.340 0.012 0.000 0.202 374 Q C 1.949 178.027 176.000 0.129 0.000 0.980 374 Q CA 2.185 58.041 55.803 0.088 0.000 0.840 374 Q CB -0.152 28.650 28.738 0.108 0.000 0.898 374 Q HN 0.605 nan 8.270 nan 0.000 0.424 375 D N 0.345 120.844 120.400 0.164 0.000 2.117 375 D HA -0.107 4.540 4.640 0.012 0.000 0.198 375 D C 1.931 178.218 176.300 -0.022 0.000 0.982 375 D CA 1.009 55.124 54.000 0.193 0.000 0.828 375 D CB -0.132 40.767 40.800 0.164 0.000 0.967 375 D HN 0.347 nan 8.370 nan 0.000 0.464 376 I N 0.567 121.101 120.570 -0.061 0.000 2.315 376 I HA -0.216 3.962 4.170 0.012 0.000 0.248 376 I C 2.356 178.338 176.117 -0.225 0.000 1.117 376 I CA 0.505 61.655 61.300 -0.250 0.000 1.404 376 I CB -0.033 37.685 38.000 -0.469 0.000 1.071 376 I HN 0.002 nan 8.210 nan 0.000 0.419 377 L N 0.093 121.220 121.223 -0.160 0.000 2.012 377 L HA -0.249 4.099 4.340 0.012 0.000 0.210 377 L C 2.535 179.473 176.870 0.114 0.000 1.073 377 L CA 1.524 56.358 54.840 -0.010 0.000 0.748 377 L CB -0.603 41.481 42.059 0.040 0.000 0.891 377 L HN 0.277 nan 8.230 nan 0.000 0.431 378 L N -1.088 120.233 121.223 0.163 0.000 2.131 378 L HA -0.233 4.114 4.340 0.012 0.000 0.210 378 L C 2.647 179.697 176.870 0.299 0.000 1.092 378 L CA 1.185 56.206 54.840 0.300 0.000 0.759 378 L CB -0.302 42.041 42.059 0.473 0.000 0.903 378 L HN 0.304 nan 8.230 nan 0.000 0.435 379 M N -0.608 118.998 119.600 0.010 0.000 2.086 379 M HA -0.224 4.263 4.480 0.012 0.000 0.261 379 M C 2.281 178.662 176.300 0.136 0.000 1.067 379 M CA 1.860 57.091 55.300 -0.116 0.000 1.116 379 M CB -0.284 32.013 32.600 -0.504 0.000 1.348 379 M HN 0.056 nan 8.290 nan 0.000 0.407 380 K N -0.072 120.319 120.400 -0.015 0.000 2.097 380 K HA -0.167 4.160 4.320 0.012 0.000 0.205 380 K C 1.945 178.551 176.600 0.010 0.000 1.050 380 K CA 1.231 57.422 56.287 -0.162 0.000 0.938 380 K CB -0.210 32.005 32.500 -0.474 0.000 0.718 380 K HN 0.435 nan 8.250 nan 0.000 0.442 381 Q N 0.376 120.337 119.800 0.267 0.000 2.364 381 Q HA -0.032 4.316 4.340 0.012 0.000 0.207 381 Q C 0.697 176.992 176.000 0.492 0.000 0.970 381 Q CA 0.687 56.756 55.803 0.444 0.000 0.888 381 Q CB 0.164 29.141 28.738 0.398 0.000 0.951 381 Q HN 0.270 nan 8.270 nan 0.000 0.469 382 N N 0.566 119.514 118.700 0.413 0.000 2.273 382 N HA 0.058 4.805 4.740 0.012 0.000 0.231 382 N C -0.665 174.964 175.510 0.199 0.000 1.134 382 N CA 0.016 53.304 53.050 0.397 0.000 0.856 382 N CB 0.726 39.529 38.487 0.526 0.000 1.068 382 N HN 0.149 nan 8.380 nan 0.000 0.510 383 N N 0.177 118.994 118.700 0.195 0.000 2.776 383 N HA -0.181 4.567 4.740 0.012 0.000 0.250 383 N C -0.845 174.589 175.510 -0.126 0.000 1.112 383 N CA 0.800 53.914 53.050 0.107 0.000 0.733 383 N CB -1.744 36.721 38.487 -0.036 0.000 1.097 383 N HN 0.246 nan 8.380 nan 0.000 0.558 384 F N 1.140 121.121 119.950 0.051 0.000 2.375 384 F HA 0.318 4.852 4.527 0.012 0.000 0.333 384 F C 1.794 177.602 175.800 0.014 0.000 1.104 384 F CA -0.547 57.468 58.000 0.025 0.000 1.149 384 F CB 0.784 39.772 39.000 -0.020 0.000 1.190 384 F HN 0.049 nan 8.300 nan 0.000 0.533 385 N N 0.544 119.372 118.700 0.212 0.000 2.160 385 N HA 0.437 5.185 4.740 0.012 0.000 0.226 385 N C -0.884 174.696 175.510 0.117 0.000 1.256 385 N CA -0.003 53.101 53.050 0.090 0.000 0.890 385 N CB 0.725 39.315 38.487 0.173 0.000 1.116 385 N HN 0.480 nan 8.380 nan 0.000 0.517 386 A N -0.506 122.462 122.820 0.246 0.000 2.594 386 A HA 0.756 5.084 4.320 0.012 0.000 0.295 386 A C -1.775 176.064 177.584 0.425 0.000 1.071 386 A CA -0.697 51.557 52.037 0.361 0.000 0.685 386 A CB 1.851 21.085 19.000 0.390 0.000 1.285 386 A HN 0.272 nan 8.150 nan 0.000 0.405 387 V N 1.227 121.430 119.914 0.482 0.000 2.808 387 V HA 0.793 4.920 4.120 0.012 0.000 0.308 387 V C -0.720 175.477 176.094 0.173 0.000 1.099 387 V CA -0.651 61.860 62.300 0.351 0.000 0.920 387 V CB 1.879 33.837 31.823 0.226 0.000 1.014 387 V HN 1.161 nan 8.190 nan 0.000 0.425 388 R N 4.837 125.258 120.500 -0.131 0.000 2.460 388 R HA 0.510 4.858 4.340 0.012 0.000 0.303 388 R C -0.697 175.444 176.300 -0.265 0.000 0.968 388 R CA -0.470 55.388 56.100 -0.404 0.000 0.889 388 R CB 1.322 31.154 30.300 -0.779 0.000 1.123 388 R HN 0.804 nan 8.270 nan 0.000 0.455 389 C N 4.289 123.464 119.300 -0.209 0.000 3.183 389 C HA 0.124 4.592 4.460 0.012 0.000 0.545 389 C C 0.461 175.154 174.990 -0.495 0.000 1.044 389 C CA -0.426 58.421 59.018 -0.285 0.000 1.117 389 C CB -2.109 25.588 27.740 -0.072 0.000 1.393 389 C HN 0.713 nan 8.230 nan 0.000 0.611 390 S N 1.247 116.535 115.700 -0.687 0.000 2.488 390 S HA 0.171 4.649 4.470 0.012 0.000 0.278 390 S C -0.117 173.563 174.600 -1.534 0.000 1.259 390 S CA 0.176 57.706 58.200 -1.117 0.000 1.061 390 S CB 0.160 62.612 63.200 -1.247 0.000 0.910 390 S HN 0.722 nan 8.310 nan 0.000 0.491 391 H N 3.661 122.125 119.070 -1.010 0.000 2.511 391 H HA 0.324 4.887 4.556 0.012 0.000 0.228 391 H C -1.210 174.018 175.328 -0.166 0.000 1.424 391 H CA -0.333 55.515 56.048 -0.333 0.000 1.321 391 H CB -0.142 29.627 29.762 0.011 0.000 1.720 391 H HN 0.893 nan 8.280 nan 0.000 0.512 392 Y N -2.782 117.624 120.300 0.177 0.000 2.765 392 Y HA 0.371 4.929 4.550 0.013 0.000 0.350 392 Y C -3.268 172.741 175.900 0.182 0.000 1.196 392 Y CA -2.947 55.267 58.100 0.189 0.000 1.119 392 Y CB 0.025 38.602 38.460 0.196 0.000 1.368 392 Y HN -0.067 nan 8.280 nan 0.000 0.463 393 P HA 0.145 nan 4.420 nan 0.000 0.269 393 P C -0.648 176.941 177.300 0.483 0.000 1.209 393 P CA 0.141 63.489 63.100 0.413 0.000 0.776 393 P CB 0.592 32.466 31.700 0.291 0.000 0.876 394 N N 0.288 119.290 118.700 0.504 0.000 2.491 394 N HA 0.107 4.854 4.740 0.012 0.000 0.279 394 N C 0.045 175.805 175.510 0.416 0.000 1.236 394 N CA -0.619 52.646 53.050 0.358 0.000 0.982 394 N CB 0.361 38.859 38.487 0.018 0.000 1.194 394 N HN 0.597 nan 8.380 nan 0.000 0.582 395 H N 2.131 121.312 119.070 0.184 0.000 3.001 395 H HA 0.001 4.564 4.556 0.012 0.000 0.334 395 H C -1.595 173.908 175.328 0.291 0.000 1.034 395 H CA -0.751 55.387 56.048 0.150 0.000 1.420 395 H CB 1.027 30.841 29.762 0.087 0.000 1.405 395 H HN 0.431 nan 8.280 nan 0.000 0.593 396 P HA -0.220 nan 4.420 nan 0.000 0.216 396 P C 1.838 179.455 177.300 0.527 0.000 1.153 396 P CA 0.797 64.140 63.100 0.404 0.000 0.858 396 P CB 0.227 32.017 31.700 0.151 0.000 0.789 397 L N -0.983 120.612 121.223 0.620 0.000 2.191 397 L HA -0.070 4.278 4.340 0.012 0.000 0.212 397 L C 2.467 179.522 176.870 0.308 0.000 1.103 397 L CA 1.414 56.499 54.840 0.408 0.000 0.769 397 L CB -1.403 40.845 42.059 0.316 0.000 0.908 397 L HN 0.038 nan 8.230 nan 0.000 0.438 398 W N -0.560 120.777 121.300 0.062 0.000 2.335 398 W HA -0.342 4.325 4.660 0.012 0.000 0.311 398 W C 2.096 178.470 176.519 -0.242 0.000 1.213 398 W CA 1.868 59.115 57.345 -0.162 0.000 1.274 398 W CB -0.335 28.929 29.460 -0.327 0.000 1.148 398 W HN 0.270 nan 8.180 nan 0.000 0.498 399 Y N 0.853 121.104 120.300 -0.081 0.000 2.181 399 Y HA -0.225 4.333 4.550 0.012 0.000 0.288 399 Y C 2.842 178.537 175.900 -0.342 0.000 1.146 399 Y CA 2.157 59.988 58.100 -0.448 0.000 1.164 399 Y CB -1.381 36.464 38.460 -1.025 0.000 0.982 399 Y HN -0.212 nan 8.280 nan 0.000 0.515 400 T N 0.771 115.356 114.554 0.051 0.000 2.684 400 T HA -0.176 4.181 4.350 0.012 0.000 0.267 400 T C 2.005 176.752 174.700 0.079 0.000 1.036 400 T CA 1.585 63.785 62.100 0.167 0.000 1.148 400 T CB -0.605 68.400 68.868 0.227 0.000 0.863 400 T HN 0.241 nan 8.240 nan 0.000 0.436 401 L N 0.267 121.493 121.223 0.005 0.000 2.056 401 L HA -0.074 4.274 4.340 0.012 0.000 0.207 401 L C 2.832 179.662 176.870 -0.066 0.000 1.078 401 L CA 0.871 55.730 54.840 0.031 0.000 0.749 401 L CB -0.672 41.359 42.059 -0.047 0.000 0.901 401 L HN 0.366 nan 8.230 nan 0.000 0.433 402 C N -0.391 118.709 119.300 -0.334 0.000 2.450 402 C HA -0.098 4.370 4.460 0.012 0.000 0.279 402 C C 2.376 177.402 174.990 0.060 0.000 1.335 402 C CA 0.150 59.010 59.018 -0.265 0.000 1.749 402 C CB -0.738 26.737 27.740 -0.442 0.000 1.963 402 C HN 0.525 nan 8.230 nan 0.000 0.501 403 D N 0.771 121.212 120.400 0.069 0.000 2.117 403 D HA -0.103 4.544 4.640 0.012 0.000 0.197 403 D C 2.384 178.888 176.300 0.339 0.000 0.987 403 D CA 1.228 55.349 54.000 0.203 0.000 0.829 403 D CB -0.319 40.568 40.800 0.145 0.000 0.961 403 D HN 0.517 nan 8.370 nan 0.000 0.460 404 R N -0.978 119.626 120.500 0.173 0.000 2.093 404 R HA -0.011 4.336 4.340 0.012 0.000 0.224 404 R C 2.123 178.405 176.300 -0.030 0.000 1.101 404 R CA 0.623 56.764 56.100 0.068 0.000 0.979 404 R CB -0.177 30.090 30.300 -0.055 0.000 0.877 404 R HN 0.264 nan 8.270 nan 0.000 0.441 405 Y N -0.075 120.241 120.300 0.027 0.000 2.420 405 Y HA 0.173 4.730 4.550 0.012 0.000 0.292 405 Y C 1.013 176.851 175.900 -0.104 0.000 1.119 405 Y CA 0.925 59.013 58.100 -0.019 0.000 1.229 405 Y CB 0.518 38.937 38.460 -0.067 0.000 1.026 405 Y HN 0.237 nan 8.280 nan 0.000 0.554 406 G N 1.145 109.986 108.800 0.068 0.000 2.830 406 G HA2 -0.152 3.816 3.960 0.012 0.000 0.298 406 G HA3 -0.152 3.816 3.960 0.012 0.000 0.298 406 G C -1.154 173.599 174.900 -0.245 0.000 1.031 406 G CA -0.490 44.527 45.100 -0.139 0.000 1.179 406 G HN 0.170 nan 8.290 nan 0.000 0.527 407 L N 1.420 122.564 121.223 -0.131 0.000 2.455 407 L HA 0.510 4.857 4.340 0.012 0.000 0.264 407 L C -0.342 176.521 176.870 -0.011 0.000 0.968 407 L CA -1.372 53.355 54.840 -0.188 0.000 0.827 407 L CB 1.861 43.833 42.059 -0.145 0.000 1.317 407 L HN 0.394 nan 8.230 nan 0.000 0.407 408 Y N 1.853 122.290 120.300 0.229 0.000 2.309 408 Y HA 0.415 4.973 4.550 0.014 0.000 0.327 408 Y C 0.274 176.305 175.900 0.219 0.000 1.172 408 Y CA -0.509 57.762 58.100 0.286 0.000 1.280 408 Y CB 1.168 39.774 38.460 0.243 0.000 1.234 408 Y HN 0.106 nan 8.280 nan 0.000 0.512 409 V N 3.645 123.754 119.914 0.325 0.000 2.604 409 V HA 0.421 4.548 4.120 0.012 0.000 0.305 409 V C -0.718 175.452 176.094 0.128 0.000 1.043 409 V CA -1.087 61.336 62.300 0.204 0.000 0.888 409 V CB 2.121 34.020 31.823 0.127 0.000 0.995 409 V HN 0.451 nan 8.190 nan 0.000 0.429 410 V N 3.124 123.073 119.914 0.058 0.000 2.350 410 V HA 0.359 4.486 4.120 0.012 0.000 0.276 410 V C -0.379 175.742 176.094 0.044 0.000 1.028 410 V CA -0.353 61.938 62.300 -0.015 0.000 0.860 410 V CB 1.543 33.249 31.823 -0.194 0.000 0.990 410 V HN 0.871 nan 8.190 nan 0.000 0.453 411 D N 4.162 124.633 120.400 0.118 0.000 2.232 411 D HA 0.327 4.974 4.640 0.012 0.000 0.242 411 D C -0.296 176.191 176.300 0.313 0.000 1.093 411 D CA -0.142 54.024 54.000 0.276 0.000 0.845 411 D CB 1.445 42.456 40.800 0.353 0.000 1.124 411 D HN 0.688 nan 8.370 nan 0.000 0.467 412 E N 1.874 122.225 120.200 0.252 0.000 2.210 412 E HA 0.616 4.973 4.350 0.012 0.000 0.266 412 E C -1.002 175.738 176.600 0.235 0.000 0.883 412 E CA -1.033 55.502 56.400 0.225 0.000 0.761 412 E CB 1.355 31.137 29.700 0.138 0.000 1.156 412 E HN 0.455 nan 8.360 nan 0.000 0.412 413 A N 3.892 126.845 122.820 0.221 0.000 2.483 413 A HA 0.043 4.371 4.320 0.012 0.000 0.238 413 A C 0.372 178.085 177.584 0.215 0.000 1.070 413 A CA -0.206 51.941 52.037 0.183 0.000 0.770 413 A CB 0.127 19.200 19.000 0.120 0.000 1.008 413 A HN 0.713 nan 8.150 nan 0.000 0.497 414 N N 1.301 120.134 118.700 0.221 0.000 3.103 414 N HA 0.224 4.972 4.740 0.012 0.000 0.305 414 N C -0.986 174.658 175.510 0.223 0.000 1.232 414 N CA 0.226 53.441 53.050 0.274 0.000 1.190 414 N CB -0.888 37.760 38.487 0.270 0.000 1.461 414 N HN 0.480 nan 8.380 nan 0.000 0.538 415 I N 0.689 121.386 120.570 0.212 0.000 2.468 415 I HA 0.297 4.474 4.170 0.012 0.000 0.284 415 I C -0.525 175.701 176.117 0.181 0.000 1.038 415 I CA -0.664 60.744 61.300 0.181 0.000 1.083 415 I CB 1.760 39.841 38.000 0.136 0.000 1.223 415 I HN 0.204 nan 8.210 nan 0.000 0.443 416 E N 4.371 124.670 120.200 0.166 0.000 2.287 416 E HA 0.376 4.733 4.350 0.012 0.000 0.274 416 E C -0.681 175.979 176.600 0.100 0.000 0.896 416 E CA -0.495 55.971 56.400 0.110 0.000 0.788 416 E CB 1.656 31.407 29.700 0.084 0.000 1.244 416 E HN 0.614 nan 8.360 nan 0.000 0.408 417 T N 0.685 115.286 114.554 0.079 0.000 3.448 417 T HA 0.172 4.530 4.350 0.012 0.000 0.271 417 T C 0.810 175.539 174.700 0.047 0.000 1.002 417 T CA -0.365 61.804 62.100 0.115 0.000 0.995 417 T CB -0.261 68.671 68.868 0.106 0.000 1.153 417 T HN 0.664 nan 8.240 nan 0.000 0.510 418 H N 1.177 120.146 119.070 -0.169 0.000 2.390 418 H HA -0.033 4.531 4.556 0.013 0.000 0.298 418 H C 2.285 177.479 175.328 -0.222 0.000 1.106 418 H CA 1.266 57.195 56.048 -0.199 0.000 1.297 418 H CB -0.138 29.472 29.762 -0.252 0.000 1.375 418 H HN 0.594 nan 8.280 nan 0.000 0.509 419 G N 0.126 108.773 108.800 -0.255 0.000 2.848 419 G HA2 -0.031 3.936 3.960 0.012 0.000 0.208 419 G HA3 -0.031 3.936 3.960 0.012 0.000 0.208 419 G C 0.423 175.429 174.900 0.176 0.000 1.152 419 G CA -0.165 44.828 45.100 -0.177 0.000 0.789 419 G HN 0.142 nan 8.290 nan 0.000 0.531 420 M N 0.274 120.014 119.600 0.233 0.000 2.202 420 M HA 0.346 4.833 4.480 0.012 0.000 0.316 420 M C -0.337 176.001 176.300 0.062 0.000 1.138 420 M CA -0.433 54.968 55.300 0.169 0.000 1.151 420 M CB 1.460 34.115 32.600 0.092 0.000 1.422 420 M HN -0.210 nan 8.290 nan 0.000 0.471 421 V N 3.767 123.698 119.914 0.027 0.000 2.482 421 V HA 0.379 4.507 4.120 0.012 0.000 0.295 421 V C -1.991 174.097 176.094 -0.010 0.000 1.026 421 V CA -1.292 61.008 62.300 0.001 0.000 0.856 421 V CB 1.794 33.612 31.823 -0.009 0.000 1.001 421 V HN 0.728 nan 8.190 nan 0.000 0.424 422 P HA 0.253 nan 4.420 nan 0.000 0.275 422 P C 0.893 178.195 177.300 0.004 0.000 1.266 422 P CA -0.527 62.569 63.100 -0.007 0.000 0.793 422 P CB 1.112 32.809 31.700 -0.006 0.000 1.074 423 M N 0.612 120.219 119.600 0.011 0.000 2.296 423 M HA -0.138 4.349 4.480 0.012 0.000 0.265 423 M C 1.158 177.479 176.300 0.035 0.000 1.064 423 M CA 1.549 56.864 55.300 0.025 0.000 1.109 423 M CB -0.434 32.170 32.600 0.006 0.000 1.396 423 M HN 0.344 nan 8.290 nan 0.000 0.430 424 N N -0.022 118.700 118.700 0.038 0.000 2.313 424 N HA -0.073 4.674 4.740 0.012 0.000 0.207 424 N C 1.104 176.601 175.510 -0.020 0.000 1.141 424 N CA 0.117 53.194 53.050 0.045 0.000 0.830 424 N CB -0.717 37.815 38.487 0.074 0.000 1.008 424 N HN 0.367 nan 8.380 nan 0.000 0.481 425 R N 0.458 120.933 120.500 -0.042 0.000 2.105 425 R HA -0.008 4.339 4.340 0.012 0.000 0.239 425 R C 1.410 177.623 176.300 -0.145 0.000 1.135 425 R CA 1.332 57.384 56.100 -0.079 0.000 0.967 425 R CB -0.048 30.203 30.300 -0.081 0.000 0.861 425 R HN 0.293 nan 8.270 nan 0.000 0.442 426 L N -0.507 120.572 121.223 -0.239 0.000 2.202 426 L HA 0.006 4.353 4.340 0.012 0.000 0.205 426 L C 2.473 179.223 176.870 -0.200 0.000 1.083 426 L CA 1.293 55.885 54.840 -0.413 0.000 0.790 426 L CB -0.614 40.952 42.059 -0.821 0.000 0.942 426 L HN 0.345 nan 8.230 nan 0.000 0.452 427 T N -4.190 110.274 114.554 -0.151 0.000 3.007 427 T HA -0.166 4.192 4.350 0.012 0.000 0.270 427 T C 1.268 175.881 174.700 -0.146 0.000 1.107 427 T CA 1.239 63.227 62.100 -0.187 0.000 1.118 427 T CB -0.238 68.470 68.868 -0.266 0.000 0.889 427 T HN 0.128 nan 8.240 nan 0.000 0.506 428 D N 1.049 121.400 120.400 -0.082 0.000 2.349 428 D HA 0.097 4.745 4.640 0.012 0.000 0.214 428 D C -0.192 176.089 176.300 -0.031 0.000 1.063 428 D CA -0.154 53.808 54.000 -0.062 0.000 0.847 428 D CB -0.027 40.744 40.800 -0.049 0.000 0.933 428 D HN 0.324 nan 8.370 nan 0.000 0.513 429 D N -0.180 120.218 120.400 -0.004 0.000 2.280 429 D HA 0.120 4.767 4.640 0.012 0.000 0.236 429 D C -1.678 174.669 176.300 0.079 0.000 1.082 429 D CA -2.175 51.856 54.000 0.053 0.000 0.834 429 D CB 2.127 43.002 40.800 0.125 0.000 1.100 429 D HN -0.030 nan 8.370 nan 0.000 0.486 430 P HA -0.102 nan 4.420 nan 0.000 0.225 430 P C 0.905 178.210 177.300 0.007 0.000 1.148 430 P CA 0.568 63.677 63.100 0.014 0.000 0.779 430 P CB 0.378 32.075 31.700 -0.004 0.000 0.780 431 R N -1.642 118.874 120.500 0.027 0.000 2.280 431 R HA -0.045 4.303 4.340 0.012 0.000 0.207 431 R C 1.281 177.468 176.300 -0.187 0.000 1.043 431 R CA 0.868 56.919 56.100 -0.080 0.000 1.006 431 R CB -0.613 29.626 30.300 -0.100 0.000 0.885 431 R HN 0.368 nan 8.270 nan 0.000 0.467 432 W N 0.085 121.333 121.300 -0.087 0.000 3.220 432 W HA 0.160 4.827 4.660 0.012 0.000 0.328 432 W C 1.550 178.013 176.519 -0.094 0.000 1.205 432 W CA -0.587 56.707 57.345 -0.086 0.000 1.773 432 W CB -0.022 29.387 29.460 -0.085 0.000 1.086 432 W HN -0.024 nan 8.180 nan 0.000 0.622 433 L N 2.144 123.394 121.223 0.044 0.000 2.046 433 L HA -0.006 4.342 4.340 0.012 0.000 0.208 433 L C -0.703 176.134 176.870 -0.055 0.000 1.077 433 L CA 2.203 57.032 54.840 -0.017 0.000 0.747 433 L CB -1.537 40.500 42.059 -0.036 0.000 0.896 433 L HN -0.249 nan 8.230 nan 0.000 0.432 434 P HA -0.129 nan 4.420 nan 0.000 0.215 434 P C 1.571 178.818 177.300 -0.088 0.000 1.157 434 P CA 2.083 65.123 63.100 -0.100 0.000 0.863 434 P CB -0.200 31.430 31.700 -0.117 0.000 0.787 435 A N -1.093 121.687 122.820 -0.067 0.000 1.898 435 A HA -0.166 4.162 4.320 0.012 0.000 0.216 435 A C 2.228 179.827 177.584 0.025 0.000 1.181 435 A CA 1.742 53.773 52.037 -0.010 0.000 0.620 435 A CB -1.432 17.592 19.000 0.040 0.000 0.819 435 A HN 0.092 nan 8.150 nan 0.000 0.442 436 M N 0.365 119.990 119.600 0.042 0.000 2.117 436 M HA -0.158 4.329 4.480 0.012 0.000 0.262 436 M C 2.555 178.803 176.300 -0.086 0.000 1.065 436 M CA 1.770 57.071 55.300 0.001 0.000 1.114 436 M CB -0.397 32.183 32.600 -0.032 0.000 1.361 436 M HN 0.668 nan 8.290 nan 0.000 0.408 437 S N 0.302 115.922 115.700 -0.133 0.000 2.374 437 S HA -0.209 4.269 4.470 0.012 0.000 0.227 437 S C 1.620 176.052 174.600 -0.280 0.000 1.037 437 S CA 1.622 59.674 58.200 -0.247 0.000 1.024 437 S CB -0.653 62.373 63.200 -0.290 0.000 0.861 437 S HN 0.536 nan 8.310 nan 0.000 0.456 438 E N 0.936 121.024 120.200 -0.187 0.000 2.204 438 E HA -0.044 4.314 4.350 0.012 0.000 0.194 438 E C 2.420 178.935 176.600 -0.143 0.000 0.989 438 E CA 0.723 57.018 56.400 -0.175 0.000 0.824 438 E CB -0.084 29.550 29.700 -0.111 0.000 0.756 438 E HN 0.583 nan 8.360 nan 0.000 0.477 439 R N 0.002 120.448 120.500 -0.090 0.000 2.115 439 R HA -0.069 4.278 4.340 0.012 0.000 0.230 439 R C 2.262 178.520 176.300 -0.070 0.000 1.111 439 R CA 0.745 56.824 56.100 -0.035 0.000 0.976 439 R CB -0.022 30.300 30.300 0.036 0.000 0.870 439 R HN 0.020 nan 8.270 nan 0.000 0.445 440 V N 0.354 120.180 119.914 -0.146 0.000 2.331 440 V HA -0.190 3.938 4.120 0.012 0.000 0.242 440 V C 2.529 178.438 176.094 -0.309 0.000 1.034 440 V CA 2.182 64.372 62.300 -0.184 0.000 1.027 440 V CB -0.383 31.314 31.823 -0.209 0.000 0.667 440 V HN 0.525 nan 8.190 nan 0.000 0.457 441 T N -0.836 113.404 114.554 -0.523 0.000 2.746 441 T HA -0.240 4.117 4.350 0.012 0.000 0.267 441 T C 1.941 176.481 174.700 -0.265 0.000 1.039 441 T CA 1.397 63.112 62.100 -0.643 0.000 1.142 441 T CB -0.420 67.862 68.868 -0.976 0.000 0.866 441 T HN 0.381 nan 8.240 nan 0.000 0.444 442 R N 0.209 120.579 120.500 -0.216 0.000 2.189 442 R HA 0.202 4.550 4.340 0.012 0.000 0.223 442 R C 2.600 178.821 176.300 -0.132 0.000 1.092 442 R CA 1.276 57.286 56.100 -0.151 0.000 0.989 442 R CB -0.433 29.785 30.300 -0.136 0.000 0.876 442 R HN 0.515 nan 8.270 nan 0.000 0.457 443 M N 0.381 119.910 119.600 -0.119 0.000 2.123 443 M HA -0.126 4.361 4.480 0.012 0.000 0.263 443 M C 1.821 178.045 176.300 -0.126 0.000 1.069 443 M CA 1.631 56.891 55.300 -0.067 0.000 1.133 443 M CB 0.109 32.713 32.600 0.007 0.000 1.356 443 M HN -0.029 nan 8.290 nan 0.000 0.415 444 V N 1.104 120.838 119.914 -0.300 0.000 2.407 444 V HA -0.275 3.852 4.120 0.012 0.000 0.248 444 V C 2.265 178.240 176.094 -0.199 0.000 1.055 444 V CA 1.919 63.903 62.300 -0.527 0.000 1.049 444 V CB -0.896 30.569 31.823 -0.597 0.000 0.662 444 V HN 0.595 nan 8.190 nan 0.000 0.455 445 Q N -0.634 119.088 119.800 -0.130 0.000 2.226 445 Q HA -0.217 4.130 4.340 0.012 0.000 0.204 445 Q C 2.436 178.346 176.000 -0.150 0.000 0.975 445 Q CA 1.458 57.192 55.803 -0.116 0.000 0.866 445 Q CB -0.155 28.538 28.738 -0.075 0.000 0.915 445 Q HN 0.539 nan 8.270 nan 0.000 0.440 446 R N 0.149 120.557 120.500 -0.152 0.000 2.140 446 R HA -0.063 4.285 4.340 0.012 0.000 0.213 446 R C 0.358 176.587 176.300 -0.118 0.000 1.059 446 R CA 1.036 57.025 56.100 -0.185 0.000 1.000 446 R CB 0.543 30.730 30.300 -0.188 0.000 0.910 446 R HN 0.106 nan 8.270 nan 0.000 0.455 447 D N -0.230 120.165 120.400 -0.007 0.000 2.433 447 D HA 0.012 4.660 4.640 0.012 0.000 0.211 447 D C 1.224 177.642 176.300 0.196 0.000 1.114 447 D CA 0.030 54.073 54.000 0.071 0.000 0.837 447 D CB 0.378 41.173 40.800 -0.007 0.000 0.984 447 D HN 0.324 nan 8.370 nan 0.000 0.505 448 R N 0.552 121.173 120.500 0.201 0.000 2.241 448 R HA -0.000 4.347 4.340 0.012 0.000 0.224 448 R C 0.642 176.950 176.300 0.013 0.000 1.101 448 R CA 0.964 57.195 56.100 0.218 0.000 0.995 448 R CB -0.212 30.151 30.300 0.106 0.000 0.870 448 R HN -0.102 nan 8.270 nan 0.000 0.463 449 N N 0.311 118.947 118.700 -0.108 0.000 2.270 449 N HA 0.010 4.757 4.740 0.012 0.000 0.198 449 N C -0.609 174.795 175.510 -0.177 0.000 1.117 449 N CA 0.167 53.130 53.050 -0.146 0.000 0.845 449 N CB 0.144 38.511 38.487 -0.199 0.000 0.980 449 N HN 0.287 nan 8.380 nan 0.000 0.486 450 H N 1.363 120.375 119.070 -0.097 0.000 2.742 450 H HA 0.112 4.675 4.556 0.012 0.000 0.302 450 H C -1.195 173.984 175.328 -0.248 0.000 1.069 450 H CA -1.280 54.694 56.048 -0.123 0.000 1.446 450 H CB 1.544 31.272 29.762 -0.056 0.000 1.462 450 H HN 0.040 nan 8.280 nan 0.000 0.499 451 P HA -0.168 nan 4.420 nan 0.000 0.218 451 P C 1.480 178.285 177.300 -0.826 0.000 1.148 451 P CA 1.221 63.941 63.100 -0.634 0.000 0.822 451 P CB 0.270 31.313 31.700 -1.096 0.000 0.784 452 S N -0.667 114.672 115.700 -0.602 0.000 2.399 452 S HA -0.063 4.414 4.470 0.012 0.000 0.231 452 S C 1.148 175.712 174.600 -0.060 0.000 1.022 452 S CA 0.498 58.528 58.200 -0.283 0.000 0.983 452 S CB -1.618 61.564 63.200 -0.031 0.000 0.803 452 S HN -0.052 nan 8.310 nan 0.000 0.480 453 V N 3.693 123.548 119.914 -0.098 0.000 2.446 453 V HA 0.187 4.314 4.120 0.012 0.000 0.276 453 V C 1.105 177.065 176.094 -0.224 0.000 1.030 453 V CA 0.237 62.447 62.300 -0.150 0.000 1.033 453 V CB 0.243 31.883 31.823 -0.306 0.000 0.993 453 V HN 0.643 nan 8.190 nan 0.000 0.477 454 I N 2.521 123.012 120.570 -0.133 0.000 4.288 454 I HA 0.516 4.694 4.170 0.012 0.000 0.331 454 I C 0.344 176.349 176.117 -0.188 0.000 1.322 454 I CA 0.414 61.642 61.300 -0.119 0.000 1.149 454 I CB 0.508 38.522 38.000 0.024 0.000 1.112 454 I HN 0.322 nan 8.210 nan 0.000 0.403 455 I N 0.280 120.719 120.570 -0.220 0.000 2.656 455 I HA 0.376 4.553 4.170 0.012 0.000 0.292 455 I C -1.530 174.483 176.117 -0.173 0.000 1.144 455 I CA -0.342 60.870 61.300 -0.146 0.000 1.038 455 I CB 2.127 40.133 38.000 0.011 0.000 1.244 455 I HN 0.022 nan 8.210 nan 0.000 0.420 456 W N 3.982 125.333 121.300 0.084 0.000 2.496 456 W HA 0.646 5.313 4.660 0.010 0.000 0.327 456 W C 0.374 176.960 176.519 0.112 0.000 1.086 456 W CA -0.611 56.790 57.345 0.093 0.000 1.222 456 W CB 1.735 31.246 29.460 0.085 0.000 1.304 456 W HN 0.316 nan 8.180 nan 0.000 0.547 457 S N 2.390 118.324 115.700 0.390 0.000 2.513 457 S HA 0.429 4.907 4.470 0.012 0.000 0.299 457 S C 0.147 174.923 174.600 0.293 0.000 1.087 457 S CA -0.720 57.661 58.200 0.300 0.000 1.012 457 S CB 0.896 64.224 63.200 0.214 0.000 1.044 457 S HN 0.573 nan 8.310 nan 0.000 0.485 458 L N 3.790 125.189 121.223 0.293 0.000 2.627 458 L HA 0.369 4.716 4.340 0.012 0.000 0.233 458 L C 1.360 178.319 176.870 0.149 0.000 1.144 458 L CA 0.450 55.382 54.840 0.153 0.000 0.892 458 L CB -1.138 40.889 42.059 -0.055 0.000 1.039 458 L HN 1.006 nan 8.230 nan 0.000 0.442 459 G N 0.131 109.102 108.800 0.285 0.000 2.280 459 G HA2 -0.136 3.831 3.960 0.012 0.000 0.277 459 G HA3 -0.136 3.831 3.960 0.012 0.000 0.277 459 G C -1.613 173.496 174.900 0.347 0.000 1.288 459 G CA -0.569 44.699 45.100 0.280 0.000 1.075 459 G HN 0.183 nan 8.290 nan 0.000 0.480 460 N N 0.105 118.943 118.700 0.229 0.000 2.405 460 N HA 0.475 5.223 4.740 0.012 0.000 0.274 460 N C -0.483 174.967 175.510 -0.100 0.000 1.170 460 N CA 0.128 53.159 53.050 -0.032 0.000 0.848 460 N CB 1.595 39.822 38.487 -0.434 0.000 1.629 460 N HN 0.906 nan 8.380 nan 0.000 0.481 461 E N 0.635 120.675 120.200 -0.267 0.000 2.202 461 E HA -0.177 4.180 4.350 0.012 0.000 0.169 461 E C -0.834 175.662 176.600 -0.172 0.000 1.536 461 E CA 0.784 56.945 56.400 -0.399 0.000 0.664 461 E CB -1.279 27.910 29.700 -0.852 0.000 1.064 461 E HN 0.431 nan 8.360 nan 0.000 0.327 462 S N 0.116 115.860 115.700 0.072 0.000 2.941 462 S HA 0.399 4.877 4.470 0.012 0.000 0.251 462 S C 0.637 175.395 174.600 0.263 0.000 1.029 462 S CA -0.175 58.138 58.200 0.188 0.000 1.062 462 S CB 1.385 64.774 63.200 0.314 0.000 0.977 462 S HN 0.858 nan 8.310 nan 0.000 0.552 463 G N 2.017 110.901 108.800 0.140 0.000 2.598 463 G HA2 -0.268 3.700 3.960 0.012 0.000 0.269 463 G HA3 -0.268 3.700 3.960 0.012 0.000 0.269 463 G C -0.491 174.609 174.900 0.333 0.000 1.289 463 G CA -0.040 45.157 45.100 0.160 0.000 0.926 463 G HN 0.667 nan 8.290 nan 0.000 0.567 464 H N 0.303 119.494 119.070 0.201 0.000 2.906 464 H HA 0.569 5.132 4.556 0.012 0.000 0.324 464 H C 0.296 175.793 175.328 0.283 0.000 0.973 464 H CA -0.162 56.045 56.048 0.266 0.000 1.321 464 H CB 0.669 30.522 29.762 0.151 0.000 1.535 464 H HN 1.032 nan 8.280 nan 0.000 0.518 465 G N 1.584 110.543 108.800 0.264 0.000 2.537 465 G HA2 0.448 4.416 3.960 0.012 0.000 0.308 465 G HA3 0.448 4.416 3.960 0.012 0.000 0.308 465 G C 0.626 175.425 174.900 -0.169 0.000 1.237 465 G CA -0.168 44.890 45.100 -0.071 0.000 0.968 465 G HN 0.695 nan 8.290 nan 0.000 0.481 466 A N 0.687 123.416 122.820 -0.152 0.000 2.076 466 A HA -0.103 4.224 4.320 0.012 0.000 0.220 466 A C 2.107 179.664 177.584 -0.046 0.000 1.160 466 A CA 1.783 53.766 52.037 -0.089 0.000 0.653 466 A CB -0.376 18.592 19.000 -0.053 0.000 0.801 466 A HN 0.538 nan 8.150 nan 0.000 0.455 467 N N -0.343 118.294 118.700 -0.105 0.000 2.289 467 N HA -0.130 4.617 4.740 0.012 0.000 0.184 467 N C 1.338 176.781 175.510 -0.113 0.000 1.016 467 N CA 1.601 54.577 53.050 -0.125 0.000 0.872 467 N CB -0.595 37.776 38.487 -0.192 0.000 0.973 467 N HN 0.789 nan 8.380 nan 0.000 0.433 468 H N 0.026 119.082 119.070 -0.022 0.000 2.395 468 H HA 0.015 4.578 4.556 0.012 0.000 0.299 468 H C 1.179 176.572 175.328 0.109 0.000 1.070 468 H CA 1.053 57.092 56.048 -0.015 0.000 1.356 468 H CB 0.227 29.987 29.762 -0.004 0.000 1.401 468 H HN 0.164 nan 8.280 nan 0.000 0.524 469 D N 0.438 120.992 120.400 0.258 0.000 2.117 469 D HA -0.121 4.526 4.640 0.012 0.000 0.197 469 D C 2.292 178.737 176.300 0.242 0.000 0.987 469 D CA 1.166 55.314 54.000 0.247 0.000 0.829 469 D CB -0.370 40.538 40.800 0.179 0.000 0.961 469 D HN 0.416 nan 8.370 nan 0.000 0.460 470 A N 0.778 123.692 122.820 0.156 0.000 1.902 470 A HA -0.118 4.209 4.320 0.012 0.000 0.217 470 A C 2.406 180.096 177.584 0.177 0.000 1.181 470 A CA 0.942 53.063 52.037 0.139 0.000 0.623 470 A CB -0.721 18.319 19.000 0.065 0.000 0.818 470 A HN 0.199 nan 8.150 nan 0.000 0.443 471 L N -2.177 119.136 121.223 0.149 0.000 2.109 471 L HA -0.129 4.219 4.340 0.012 0.000 0.207 471 L C 2.570 179.585 176.870 0.241 0.000 1.086 471 L CA 1.468 56.397 54.840 0.148 0.000 0.760 471 L CB -0.681 41.393 42.059 0.026 0.000 0.910 471 L HN 0.610 nan 8.230 nan 0.000 0.437 472 Y N 1.367 121.751 120.300 0.140 0.000 2.128 472 Y HA -0.340 4.215 4.550 0.010 0.000 0.284 472 Y C 2.802 178.788 175.900 0.142 0.000 1.154 472 Y CA 1.868 60.054 58.100 0.143 0.000 1.149 472 Y CB -0.177 38.367 38.460 0.141 0.000 0.976 472 Y HN -0.031 nan 8.280 nan 0.000 0.505 473 R N -0.245 120.376 120.500 0.201 0.000 2.092 473 R HA -0.192 4.155 4.340 0.012 0.000 0.231 473 R C 2.047 178.364 176.300 0.029 0.000 1.119 473 R CA 1.882 58.024 56.100 0.070 0.000 0.970 473 R CB -1.344 29.075 30.300 0.199 0.000 0.864 473 R HN 0.655 nan 8.270 nan 0.000 0.440 474 W N 0.346 121.607 121.300 -0.065 0.000 2.358 474 W HA -0.091 4.576 4.660 0.013 0.000 0.303 474 W C 1.519 177.950 176.519 -0.148 0.000 1.208 474 W CA 1.712 59.004 57.345 -0.088 0.000 1.274 474 W CB -0.157 29.255 29.460 -0.080 0.000 1.138 474 W HN 0.065 nan 8.180 nan 0.000 0.515 475 I N 0.980 121.580 120.570 0.051 0.000 2.252 475 I HA -0.331 3.847 4.170 0.012 0.000 0.245 475 I C 2.396 178.315 176.117 -0.330 0.000 1.102 475 I CA 1.280 62.433 61.300 -0.245 0.000 1.385 475 I CB -0.705 37.222 38.000 -0.121 0.000 1.064 475 I HN -0.115 nan 8.210 nan 0.000 0.414 476 K N 0.845 121.066 120.400 -0.299 0.000 2.152 476 K HA -0.115 4.212 4.320 0.012 0.000 0.206 476 K C 2.210 178.672 176.600 -0.231 0.000 1.048 476 K CA 1.512 57.641 56.287 -0.265 0.000 0.933 476 K CB -0.514 31.791 32.500 -0.324 0.000 0.721 476 K HN 0.316 nan 8.250 nan 0.000 0.447 477 S N 1.230 116.762 115.700 -0.281 0.000 2.357 477 S HA -0.095 4.382 4.470 0.012 0.000 0.221 477 S C 2.281 176.671 174.600 -0.350 0.000 1.031 477 S CA 1.338 59.376 58.200 -0.271 0.000 0.982 477 S CB -0.498 62.551 63.200 -0.251 0.000 0.853 477 S HN 0.305 nan 8.310 nan 0.000 0.458 478 V N 0.139 119.696 119.914 -0.595 0.000 2.719 478 V HA 0.118 4.246 4.120 0.012 0.000 0.252 478 V C 0.291 176.156 176.094 -0.382 0.000 1.065 478 V CA 1.536 63.474 62.300 -0.602 0.000 1.086 478 V CB -0.401 30.799 31.823 -1.038 0.000 0.700 478 V HN 0.334 nan 8.190 nan 0.000 0.467 479 D N 0.184 120.406 120.400 -0.296 0.000 2.364 479 D HA 0.402 5.050 4.640 0.012 0.000 0.251 479 D C -2.427 173.858 176.300 -0.025 0.000 1.282 479 D CA -1.794 52.139 54.000 -0.111 0.000 0.927 479 D CB 1.707 42.524 40.800 0.028 0.000 1.267 479 D HN 0.165 nan 8.370 nan 0.000 0.531 480 P HA 0.011 nan 4.420 nan 0.000 0.242 480 P C 1.023 178.342 177.300 0.030 0.000 1.197 480 P CA 0.387 63.480 63.100 -0.011 0.000 0.765 480 P CB 0.170 31.857 31.700 -0.022 0.000 0.936 481 S N -1.582 114.147 115.700 0.048 0.000 2.562 481 S HA 0.110 4.587 4.470 0.012 0.000 0.221 481 S C 0.839 175.466 174.600 0.046 0.000 0.975 481 S CA -0.069 58.163 58.200 0.053 0.000 0.918 481 S CB -0.277 62.948 63.200 0.042 0.000 0.772 481 S HN 0.038 nan 8.310 nan 0.000 0.531 482 R N 0.953 121.493 120.500 0.066 0.000 2.621 482 R HA 0.530 4.877 4.340 0.012 0.000 0.284 482 R C -3.243 173.106 176.300 0.082 0.000 0.998 482 R CA -2.129 53.978 56.100 0.011 0.000 0.895 482 R CB 1.606 31.806 30.300 -0.167 0.000 1.195 482 R HN 0.122 nan 8.270 nan 0.000 0.450 483 P HA 0.081 nan 4.420 nan 0.000 0.270 483 P C -0.908 176.495 177.300 0.172 0.000 1.223 483 P CA -0.346 62.817 63.100 0.104 0.000 0.785 483 P CB 0.684 32.432 31.700 0.080 0.000 0.923 484 V N 2.381 122.425 119.914 0.218 0.000 2.555 484 V HA 0.434 4.562 4.120 0.012 0.000 0.302 484 V C 0.172 176.453 176.094 0.312 0.000 1.038 484 V CA -0.316 62.163 62.300 0.298 0.000 0.887 484 V CB 1.278 33.250 31.823 0.249 0.000 0.991 484 V HN 0.619 nan 8.190 nan 0.000 0.434 485 Q N 3.566 123.529 119.800 0.273 0.000 2.528 485 Q HA 0.833 5.180 4.340 0.012 0.000 0.289 485 Q C -1.837 174.319 176.000 0.260 0.000 1.091 485 Q CA -0.954 54.973 55.803 0.207 0.000 0.797 485 Q CB 3.017 31.825 28.738 0.117 0.000 1.466 485 Q HN 0.634 nan 8.270 nan 0.000 0.436 486 Y N -0.191 120.115 120.300 0.010 0.000 2.393 486 Y HA 0.123 4.680 4.550 0.011 0.000 0.320 486 Y C -0.771 175.066 175.900 -0.105 0.000 1.241 486 Y CA -0.696 57.378 58.100 -0.043 0.000 1.122 486 Y CB 1.823 40.245 38.460 -0.062 0.000 1.322 486 Y HN 0.950 nan 8.280 nan 0.000 0.441 487 E N 3.318 122.992 120.200 -0.877 0.000 2.400 487 E HA 0.155 4.512 4.350 0.012 0.000 0.195 487 E C 0.656 176.830 176.600 -0.710 0.000 1.012 487 E CA 0.726 56.752 56.400 -0.622 0.000 0.875 487 E CB 0.310 29.774 29.700 -0.394 0.000 0.859 487 E HN 0.879 nan 8.360 nan 0.000 0.498 488 G N -0.145 107.870 108.800 -1.308 0.000 2.559 488 G HA2 0.252 4.219 3.960 0.012 0.000 0.235 488 G HA3 0.252 4.219 3.960 0.012 0.000 0.235 488 G C 0.785 175.556 174.900 -0.215 0.000 1.266 488 G CA 0.249 44.983 45.100 -0.610 0.000 0.847 488 G HN 0.319 nan 8.290 nan 0.000 0.583 489 G N -0.662 108.106 108.800 -0.054 0.000 2.160 489 G HA2 0.233 4.201 3.960 0.012 0.000 0.251 489 G HA3 0.233 4.201 3.960 0.012 0.000 0.251 489 G C 1.255 176.172 174.900 0.029 0.000 1.008 489 G CA 1.004 46.135 45.100 0.052 0.000 0.724 489 G HN 2.615 nan 8.290 nan 0.000 0.514 490 G N -1.533 107.276 108.800 0.015 0.000 2.192 490 G HA2 0.417 4.384 3.960 0.012 0.000 0.193 490 G HA3 0.417 4.384 3.960 0.012 0.000 0.193 490 G C 1.128 176.164 174.900 0.227 0.000 0.999 490 G CA 1.239 46.410 45.100 0.119 0.000 0.659 490 G HN 2.344 nan 8.290 nan 0.000 0.503 491 A N -0.255 122.584 122.820 0.031 0.000 3.420 491 A HA -0.118 4.209 4.320 0.012 0.000 0.269 491 A C 1.105 178.636 177.584 -0.088 0.000 1.122 491 A CA 2.687 54.677 52.037 -0.078 0.000 1.023 491 A CB -1.734 17.201 19.000 -0.108 0.000 1.099 491 A HN 2.146 nan 8.150 nan 0.000 0.860 492 D N -1.198 119.231 120.400 0.047 0.000 2.785 492 D HA 0.308 4.956 4.640 0.012 0.000 0.324 492 D C 0.367 176.676 176.300 0.015 0.000 1.523 492 D CA 0.755 54.788 54.000 0.054 0.000 0.789 492 D CB -1.133 39.847 40.800 0.301 0.000 1.171 492 D HN 0.797 nan 8.370 nan 0.000 0.447 493 T N -2.449 112.045 114.554 -0.099 0.000 2.698 493 T HA 0.220 4.577 4.350 0.012 0.000 0.295 493 T C 1.570 176.137 174.700 -0.222 0.000 1.007 493 T CA 0.414 62.385 62.100 -0.217 0.000 0.980 493 T CB 0.897 69.395 68.868 -0.616 0.000 1.036 493 T HN 0.089 nan 8.240 nan 0.000 0.526 494 T N -2.642 111.779 114.554 -0.221 0.000 3.163 494 T HA 0.249 4.606 4.350 0.012 0.000 0.260 494 T C 1.410 175.861 174.700 -0.414 0.000 1.156 494 T CA 0.198 62.178 62.100 -0.200 0.000 1.072 494 T CB -0.467 68.373 68.868 -0.047 0.000 0.937 494 T HN 0.836 nan 8.240 nan 0.000 0.528 495 A N 0.460 123.036 122.820 -0.406 0.000 2.507 495 A HA 0.533 4.860 4.320 0.012 0.000 0.270 495 A C 0.736 178.139 177.584 -0.302 0.000 1.318 495 A CA -0.377 51.385 52.037 -0.457 0.000 0.924 495 A CB 0.091 19.077 19.000 -0.023 0.000 1.061 495 A HN 0.418 nan 8.150 nan 0.000 0.516 496 T N -1.317 113.077 114.554 -0.268 0.000 2.971 496 T HA 0.354 4.711 4.350 0.012 0.000 0.304 496 T C -0.591 174.125 174.700 0.027 0.000 1.038 496 T CA -0.434 61.662 62.100 -0.006 0.000 1.007 496 T CB 1.189 70.047 68.868 -0.016 0.000 1.055 496 T HN 0.097 nan 8.240 nan 0.000 0.451 497 D N 2.964 123.466 120.400 0.170 0.000 2.347 497 D HA 0.244 4.892 4.640 0.012 0.000 0.213 497 D C 0.381 176.715 176.300 0.056 0.000 0.985 497 D CA 0.772 54.858 54.000 0.144 0.000 0.879 497 D CB 0.410 41.326 40.800 0.195 0.000 0.919 497 D HN 0.544 nan 8.370 nan 0.000 0.526 498 I N 0.986 121.571 120.570 0.025 0.000 2.498 498 I HA 0.244 4.422 4.170 0.012 0.000 0.290 498 I C -0.190 175.863 176.117 -0.107 0.000 1.032 498 I CA -0.859 60.420 61.300 -0.035 0.000 1.073 498 I CB 2.838 40.829 38.000 -0.014 0.000 1.251 498 I HN -0.350 nan 8.210 nan 0.000 0.426 499 I N 5.789 126.251 120.570 -0.181 0.000 2.505 499 I HA 0.043 4.220 4.170 0.012 0.000 0.287 499 I C 0.152 176.059 176.117 -0.350 0.000 1.104 499 I CA 0.040 61.138 61.300 -0.338 0.000 1.387 499 I CB 0.138 37.833 38.000 -0.509 0.000 1.404 499 I HN 0.686 nan 8.210 nan 0.000 0.528 500 C N 5.622 124.732 119.300 -0.317 0.000 3.401 500 C HA 0.456 4.923 4.460 0.012 0.000 0.204 500 C C -2.152 172.701 174.990 -0.227 0.000 1.522 500 C CA -2.275 56.608 59.018 -0.226 0.000 1.409 500 C CB -0.863 26.806 27.740 -0.117 0.000 1.967 500 C HN 0.419 nan 8.230 nan 0.000 0.496 501 P HA 0.296 nan 4.420 nan 0.000 0.272 501 P C -0.404 176.843 177.300 -0.088 0.000 1.240 501 P CA 0.349 63.346 63.100 -0.171 0.000 0.791 501 P CB 0.776 32.373 31.700 -0.172 0.000 0.978 502 M N 0.204 119.775 119.600 -0.049 0.000 2.227 502 M HA 0.432 4.919 4.480 0.012 0.000 0.335 502 M C -0.756 175.543 176.300 -0.001 0.000 1.053 502 M CA -0.693 54.469 55.300 -0.231 0.000 0.973 502 M CB 1.135 33.551 32.600 -0.307 0.000 1.623 502 M HN 0.264 nan 8.290 nan 0.000 0.434 503 Y N -0.398 120.067 120.300 0.275 0.000 4.409 503 Y HA -0.219 4.339 4.550 0.013 0.000 0.228 503 Y C 0.538 176.616 175.900 0.298 0.000 1.108 503 Y CA 0.565 58.838 58.100 0.288 0.000 1.955 503 Y CB -2.505 36.104 38.460 0.249 0.000 1.615 503 Y HN 0.968 nan 8.280 nan 0.000 0.665 504 A N 0.964 124.014 122.820 0.383 0.000 2.425 504 A HA 0.575 4.903 4.320 0.012 0.000 0.249 504 A C 0.822 178.632 177.584 0.377 0.000 1.084 504 A CA -0.440 51.823 52.037 0.377 0.000 0.781 504 A CB 0.410 19.683 19.000 0.456 0.000 1.019 504 A HN 0.412 nan 8.150 nan 0.000 0.490 505 R N 1.165 121.812 120.500 0.244 0.000 2.541 505 R HA 0.347 4.694 4.340 0.012 0.000 0.263 505 R C 1.004 177.268 176.300 -0.059 0.000 1.112 505 R CA -0.707 55.463 56.100 0.116 0.000 1.170 505 R CB 0.561 30.898 30.300 0.062 0.000 1.167 505 R HN 0.480 nan 8.270 nan 0.000 0.582 506 V N 0.497 120.215 119.914 -0.328 0.000 2.323 506 V HA -0.167 3.960 4.120 0.012 0.000 0.244 506 V C 0.854 176.827 176.094 -0.201 0.000 1.041 506 V CA 1.826 63.896 62.300 -0.384 0.000 1.025 506 V CB -0.244 31.218 31.823 -0.602 0.000 0.656 506 V HN 0.731 nan 8.190 nan 0.000 0.451 507 D N -1.493 118.823 120.400 -0.140 0.000 2.479 507 D HA 0.109 4.757 4.640 0.012 0.000 0.221 507 D C 0.834 177.114 176.300 -0.034 0.000 1.104 507 D CA 0.036 53.987 54.000 -0.080 0.000 0.849 507 D CB 0.805 41.563 40.800 -0.071 0.000 1.072 507 D HN 0.464 nan 8.370 nan 0.000 0.502 508 E N 1.958 122.141 120.200 -0.028 0.000 2.167 508 E HA 0.106 4.463 4.350 0.012 0.000 0.284 508 E C -0.780 175.817 176.600 -0.005 0.000 1.016 508 E CA -0.572 55.821 56.400 -0.011 0.000 0.817 508 E CB 0.944 30.638 29.700 -0.010 0.000 1.080 508 E HN -0.171 nan 8.360 nan 0.000 0.397 509 D N 3.637 124.036 120.400 -0.001 0.000 2.339 509 D HA 0.112 4.759 4.640 0.012 0.000 0.245 509 D C -0.553 175.640 176.300 -0.180 0.000 1.115 509 D CA 0.263 54.256 54.000 -0.011 0.000 0.917 509 D CB 1.107 41.976 40.800 0.116 0.000 1.192 509 D HN 0.429 nan 8.370 nan 0.000 0.428 510 Q N 1.387 120.941 119.800 -0.410 0.000 2.771 510 Q HA 0.241 4.589 4.340 0.012 0.000 0.247 510 Q C -2.248 173.068 176.000 -1.139 0.000 0.986 510 Q CA -1.492 53.862 55.803 -0.748 0.000 0.713 510 Q CB 2.475 30.721 28.738 -0.820 0.000 1.241 510 Q HN 0.171 nan 8.270 nan 0.000 0.488 511 P HA 0.019 nan 4.420 nan 0.000 0.225 511 P C -0.729 176.245 177.300 -0.542 0.000 1.768 511 P CA -0.174 62.477 63.100 -0.749 0.000 0.943 511 P CB -0.452 31.027 31.700 -0.369 0.000 1.936 512 F N 1.989 121.755 119.950 -0.306 0.000 2.553 512 F HA 0.187 4.721 4.527 0.012 0.000 0.356 512 F C -1.317 174.369 175.800 -0.191 0.000 1.142 512 F CA -2.419 55.462 58.000 -0.198 0.000 1.322 512 F CB -1.165 37.738 39.000 -0.161 0.000 1.126 512 F HN 0.093 nan 8.300 nan 0.000 0.599 513 P HA 0.263 nan 4.420 nan 0.000 0.271 513 P C 0.326 177.638 177.300 0.021 0.000 1.216 513 P CA 0.882 63.994 63.100 0.020 0.000 0.776 513 P CB 1.225 32.937 31.700 0.020 0.000 0.881 514 A N 2.656 125.480 122.820 0.007 0.000 2.070 514 A HA -0.244 4.084 4.320 0.012 0.000 0.231 514 A C 0.689 178.280 177.584 0.012 0.000 0.501 514 A CA 2.004 54.051 52.037 0.016 0.000 1.119 514 A CB -2.726 16.285 19.000 0.020 0.000 1.430 514 A HN 0.686 nan 8.150 nan 0.000 0.706 515 V N -2.750 117.169 119.914 0.009 0.000 2.361 515 V HA 0.578 4.705 4.120 0.012 0.000 0.252 515 V C -2.418 173.671 176.094 -0.008 0.000 0.986 515 V CA -1.331 60.977 62.300 0.012 0.000 1.033 515 V CB 0.626 32.468 31.823 0.032 0.000 1.282 515 V HN 0.511 nan 8.190 nan 0.000 0.514 516 P HA 0.246 nan 4.420 nan 0.000 0.269 516 P C -0.567 176.273 177.300 -0.766 0.000 1.215 516 P CA 0.110 62.791 63.100 -0.699 0.000 0.780 516 P CB 1.024 31.843 31.700 -1.469 0.000 0.898 517 K N 2.546 122.544 120.400 -0.670 0.000 2.356 517 K HA 0.190 4.518 4.320 0.012 0.000 0.243 517 K C -0.337 175.972 176.600 -0.484 0.000 1.072 517 K CA -0.278 55.824 56.287 -0.309 0.000 1.014 517 K CB 0.269 32.842 32.500 0.122 0.000 1.523 517 K HN 0.472 nan 8.250 nan 0.000 0.455 518 W N 1.259 122.197 121.300 -0.603 0.000 2.126 518 W HA 0.029 4.697 4.660 0.014 0.000 0.346 518 W C 1.343 177.868 176.519 0.010 0.000 1.279 518 W CA -0.479 56.636 57.345 -0.384 0.000 1.259 518 W CB 0.391 29.458 29.460 -0.655 0.000 1.133 518 W HN 0.352 nan 8.180 nan 0.000 0.592 519 S N 3.022 118.879 115.700 0.262 0.000 2.558 519 S HA -0.082 4.395 4.470 0.012 0.000 0.293 519 S C 1.181 175.929 174.600 0.246 0.000 1.292 519 S CA -0.168 58.129 58.200 0.161 0.000 1.063 519 S CB 0.131 63.374 63.200 0.072 0.000 0.831 519 S HN 0.501 nan 8.310 nan 0.000 0.499 520 I N 2.341 123.020 120.570 0.181 0.000 2.361 520 I HA -0.125 4.052 4.170 0.012 0.000 0.251 520 I C 2.027 178.168 176.117 0.039 0.000 1.133 520 I CA 1.153 62.564 61.300 0.184 0.000 1.413 520 I CB -0.442 37.609 38.000 0.084 0.000 1.073 520 I HN 0.602 nan 8.210 nan 0.000 0.424 521 K N 1.540 121.856 120.400 -0.141 0.000 2.057 521 K HA -0.157 4.170 4.320 0.012 0.000 0.207 521 K C 2.301 178.879 176.600 -0.036 0.000 1.049 521 K CA 1.529 57.638 56.287 -0.296 0.000 0.931 521 K CB -0.209 32.030 32.500 -0.434 0.000 0.714 521 K HN 0.365 nan 8.250 nan 0.000 0.440 522 K N 0.205 120.614 120.400 0.015 0.000 2.167 522 K HA -0.149 4.179 4.320 0.012 0.000 0.203 522 K C 1.856 178.463 176.600 0.013 0.000 1.052 522 K CA 0.654 56.934 56.287 -0.011 0.000 0.956 522 K CB -0.017 32.443 32.500 -0.066 0.000 0.735 522 K HN 0.224 nan 8.250 nan 0.000 0.451 523 W N 2.197 123.466 121.300 -0.052 0.000 2.358 523 W HA -0.157 4.508 4.660 0.010 0.000 0.303 523 W C 1.628 178.122 176.519 -0.041 0.000 1.208 523 W CA 0.945 58.274 57.345 -0.028 0.000 1.274 523 W CB -0.563 28.969 29.460 0.121 0.000 1.138 523 W HN 0.048 nan 8.180 nan 0.000 0.515 524 L N 0.879 122.256 121.223 0.256 0.000 2.127 524 L HA -0.226 4.121 4.340 0.012 0.000 0.211 524 L C 2.123 179.057 176.870 0.108 0.000 1.089 524 L CA 1.896 56.821 54.840 0.142 0.000 0.757 524 L CB -0.848 41.279 42.059 0.114 0.000 0.899 524 L HN -0.022 nan 8.230 nan 0.000 0.434 525 S N -1.536 114.211 115.700 0.078 0.000 2.575 525 S HA 0.281 4.758 4.470 0.012 0.000 0.237 525 S C 0.502 175.090 174.600 -0.021 0.000 0.975 525 S CA -0.554 57.664 58.200 0.030 0.000 0.960 525 S CB -0.320 62.896 63.200 0.028 0.000 0.822 525 S HN 0.129 nan 8.310 nan 0.000 0.472 526 L N 2.051 123.250 121.223 -0.041 0.000 2.483 526 L HA 0.236 4.583 4.340 0.012 0.000 0.276 526 L C -2.223 174.614 176.870 -0.055 0.000 1.213 526 L CA -1.761 53.006 54.840 -0.122 0.000 0.843 526 L CB -0.308 41.655 42.059 -0.161 0.000 1.107 526 L HN 0.023 nan 8.230 nan 0.000 0.487 527 P HA -0.038 nan 4.420 nan 0.000 0.258 527 P C 0.721 178.016 177.300 -0.009 0.000 1.172 527 P CA 1.086 64.165 63.100 -0.036 0.000 0.762 527 P CB 0.419 32.094 31.700 -0.043 0.000 0.764 528 G N 1.747 110.549 108.800 0.002 0.000 2.199 528 G HA2 -0.265 3.702 3.960 0.012 0.000 0.254 528 G HA3 -0.265 3.702 3.960 0.012 0.000 0.254 528 G C 0.230 175.147 174.900 0.029 0.000 0.982 528 G CA 0.128 45.237 45.100 0.016 0.000 0.632 528 G HN 0.623 nan 8.290 nan 0.000 0.529 529 E N 0.903 121.125 120.200 0.036 0.000 2.301 529 E HA 0.644 5.001 4.350 0.012 0.000 0.275 529 E C 1.256 177.882 176.600 0.042 0.000 1.030 529 E CA 0.529 56.962 56.400 0.056 0.000 0.852 529 E CB 0.901 30.659 29.700 0.097 0.000 1.060 529 E HN 0.526 nan 8.360 nan 0.000 0.401 530 T N 0.410 114.986 114.554 0.036 0.000 3.186 530 T HA 0.334 4.692 4.350 0.012 0.000 0.292 530 T C 0.466 175.177 174.700 0.017 0.000 0.915 530 T CA -0.495 61.620 62.100 0.026 0.000 0.902 530 T CB 0.028 68.910 68.868 0.024 0.000 1.192 530 T HN 0.263 nan 8.240 nan 0.000 0.563 531 R N 2.439 122.945 120.500 0.011 0.000 2.615 531 R HA 0.450 4.797 4.340 0.012 0.000 0.270 531 R C -2.527 173.754 176.300 -0.032 0.000 1.081 531 R CA -1.766 54.329 56.100 -0.008 0.000 1.154 531 R CB 0.101 30.389 30.300 -0.019 0.000 1.063 531 R HN 0.230 nan 8.270 nan 0.000 0.519 532 P HA 0.080 nan 4.420 nan 0.000 0.274 532 P C -1.038 176.195 177.300 -0.112 0.000 1.237 532 P CA -0.144 62.917 63.100 -0.065 0.000 0.793 532 P CB 0.702 32.364 31.700 -0.064 0.000 0.977 533 L N 2.408 123.543 121.223 -0.147 0.000 2.349 533 L HA 0.583 4.930 4.340 0.012 0.000 0.278 533 L C -1.048 175.682 176.870 -0.233 0.000 0.996 533 L CA -0.665 54.048 54.840 -0.212 0.000 0.825 533 L CB 0.627 42.554 42.059 -0.220 0.000 1.243 533 L HN 0.233 nan 8.230 nan 0.000 0.412 534 I N 5.695 126.133 120.570 -0.221 0.000 2.500 534 I HA 0.252 4.429 4.170 0.012 0.000 0.286 534 I C -0.752 175.274 176.117 -0.150 0.000 1.063 534 I CA -0.547 60.607 61.300 -0.243 0.000 1.062 534 I CB 2.001 39.912 38.000 -0.148 0.000 1.223 534 I HN 0.493 nan 8.210 nan 0.000 0.435 535 L N 5.651 126.759 121.223 -0.191 0.000 2.499 535 L HA 0.011 4.359 4.340 0.012 0.000 0.273 535 L C 1.511 178.466 176.870 0.141 0.000 1.195 535 L CA -0.065 54.739 54.840 -0.060 0.000 0.882 535 L CB 0.598 42.614 42.059 -0.072 0.000 1.133 535 L HN 0.853 nan 8.230 nan 0.000 0.483 536 C N 0.811 120.172 119.300 0.102 0.000 2.446 536 C HA 0.084 4.551 4.460 0.012 0.000 0.279 536 C C 0.738 175.881 174.990 0.254 0.000 1.366 536 C CA -0.122 59.006 59.018 0.183 0.000 1.763 536 C CB -0.940 26.815 27.740 0.025 0.000 1.929 536 C HN 0.812 nan 8.230 nan 0.000 0.509 537 Q N -0.358 119.512 119.800 0.116 0.000 2.284 537 Q HA 0.616 4.963 4.340 0.012 0.000 0.269 537 Q C -1.492 174.480 176.000 -0.048 0.000 1.026 537 Q CA -0.338 55.518 55.803 0.089 0.000 0.831 537 Q CB 2.415 30.983 28.738 -0.284 0.000 1.322 537 Q HN 0.703 nan 8.270 nan 0.000 0.419 538 Y N -0.112 120.204 120.300 0.026 0.000 2.609 538 Y HA 0.819 5.378 4.550 0.013 0.000 0.336 538 Y C -0.697 175.366 175.900 0.272 0.000 1.129 538 Y CA -0.774 57.333 58.100 0.011 0.000 1.040 538 Y CB 0.730 39.027 38.460 -0.271 0.000 1.310 538 Y HN 0.949 nan 8.280 nan 0.000 0.460 539 A N 1.462 124.413 122.820 0.218 0.000 2.454 539 A HA 0.089 4.416 4.320 0.012 0.000 0.685 539 A C -1.259 176.600 177.584 0.459 0.000 0.152 539 A CA 0.534 52.706 52.037 0.226 0.000 0.038 539 A CB -1.443 17.607 19.000 0.084 0.000 3.970 539 A HN 1.824 nan 8.150 nan 0.000 0.548 540 H N 0.659 119.876 119.070 0.245 0.000 3.162 540 H HA 0.505 5.069 4.556 0.012 0.000 0.309 540 H C 0.101 175.504 175.328 0.124 0.000 1.156 540 H CA 0.296 56.533 56.048 0.315 0.000 1.586 540 H CB 0.718 30.551 29.762 0.119 0.000 1.740 540 H HN 1.634 nan 8.280 nan 0.000 0.525 541 A N 6.119 128.861 122.820 -0.129 0.000 3.033 541 A HA 0.123 4.451 4.320 0.012 0.000 0.250 541 A C 0.680 178.063 177.584 -0.335 0.000 1.633 541 A CA -0.319 51.586 52.037 -0.219 0.000 1.290 541 A CB -0.769 18.104 19.000 -0.212 0.000 1.048 541 A HN 0.699 nan 8.150 nan 0.000 0.648 542 M N 1.611 121.028 119.600 -0.306 0.000 2.077 542 M HA 0.476 4.963 4.480 0.012 0.000 0.348 542 M C 0.853 176.908 176.300 -0.408 0.000 1.252 542 M CA 1.118 56.221 55.300 -0.328 0.000 1.096 542 M CB -0.032 32.469 32.600 -0.164 0.000 1.568 542 M HN 0.876 nan 8.290 nan 0.000 0.456 543 G N 4.113 112.592 108.800 -0.536 0.000 2.569 543 G HA2 -0.325 3.642 3.960 0.012 0.000 0.259 543 G HA3 -0.325 3.642 3.960 0.012 0.000 0.259 543 G C -0.415 173.870 174.900 -1.025 0.000 1.263 543 G CA -0.127 44.516 45.100 -0.762 0.000 0.928 543 G HN 0.862 nan 8.290 nan 0.000 0.572 544 N N 0.879 118.885 118.700 -1.156 0.000 2.415 544 N HA 0.517 5.264 4.740 0.012 0.000 0.250 544 N C 0.113 175.332 175.510 -0.485 0.000 1.127 544 N CA 1.035 53.569 53.050 -0.860 0.000 0.945 544 N CB 0.721 38.749 38.487 -0.765 0.000 1.196 544 N HN 0.915 nan 8.380 nan 0.000 0.499 545 S N 2.458 117.951 115.700 -0.344 0.000 3.121 545 S HA 0.587 5.065 4.470 0.012 0.000 0.324 545 S C -0.177 174.342 174.600 -0.134 0.000 1.192 545 S CA -0.279 57.789 58.200 -0.218 0.000 0.937 545 S CB -0.069 63.013 63.200 -0.196 0.000 1.336 545 S HN 0.390 nan 8.310 nan 0.000 0.664 546 L N 0.055 121.245 121.223 -0.055 0.000 4.793 546 L HA -0.050 4.297 4.340 0.012 0.000 0.404 546 L C 0.532 177.458 176.870 0.094 0.000 1.022 546 L CA 0.925 55.774 54.840 0.015 0.000 1.242 546 L CB -1.749 40.233 42.059 -0.128 0.000 2.049 546 L HN 0.753 nan 8.230 nan 0.000 0.637 547 G N -0.842 107.974 108.800 0.026 0.000 2.365 547 G HA2 0.469 4.436 3.960 0.012 0.000 0.249 547 G HA3 0.469 4.436 3.960 0.012 0.000 0.249 547 G C 1.241 176.196 174.900 0.091 0.000 1.288 547 G CA 0.181 45.277 45.100 -0.008 0.000 0.887 547 G HN 1.378 nan 8.290 nan 0.000 0.524 548 G N 1.631 110.482 108.800 0.086 0.000 2.175 548 G HA2 -0.311 3.656 3.960 0.012 0.000 0.244 548 G HA3 -0.311 3.656 3.960 0.012 0.000 0.244 548 G C 1.052 176.134 174.900 0.302 0.000 0.982 548 G CA 0.752 45.951 45.100 0.165 0.000 0.641 548 G HN 0.795 nan 8.290 nan 0.000 0.527 549 F N 2.009 122.087 119.950 0.212 0.000 2.161 549 F HA 0.115 4.650 4.527 0.013 0.000 0.300 549 F C 2.661 178.685 175.800 0.373 0.000 1.089 549 F CA 2.530 60.735 58.000 0.341 0.000 1.282 549 F CB -0.408 38.733 39.000 0.234 0.000 1.010 549 F HN 0.359 nan 8.300 nan 0.000 0.485 550 A N -0.460 122.531 122.820 0.284 0.000 2.019 550 A HA -0.219 4.108 4.320 0.012 0.000 0.219 550 A C 2.266 179.876 177.584 0.044 0.000 1.164 550 A CA 1.613 53.754 52.037 0.172 0.000 0.644 550 A CB -0.781 18.323 19.000 0.174 0.000 0.805 550 A HN 0.447 nan 8.150 nan 0.000 0.449 551 K N -1.627 118.774 120.400 0.002 0.000 2.147 551 K HA -0.172 4.155 4.320 0.012 0.000 0.205 551 K C 1.610 177.979 176.600 -0.384 0.000 1.049 551 K CA 1.519 57.718 56.287 -0.146 0.000 0.936 551 K CB -0.290 32.121 32.500 -0.150 0.000 0.722 551 K HN 0.573 nan 8.250 nan 0.000 0.446 552 Y N -0.933 119.092 120.300 -0.459 0.000 2.163 552 Y HA -0.213 4.344 4.550 0.012 0.000 0.288 552 Y C 1.917 176.913 175.900 -1.507 0.000 1.136 552 Y CA 1.546 59.019 58.100 -1.045 0.000 1.147 552 Y CB -0.371 37.401 38.460 -1.147 0.000 0.987 552 Y HN 0.154 nan 8.280 nan 0.000 0.509 553 W N 0.054 120.962 121.300 -0.654 0.000 2.374 553 W HA -0.183 4.486 4.660 0.014 0.000 0.288 553 W C 2.602 178.971 176.519 -0.249 0.000 1.218 553 W CA 1.447 58.550 57.345 -0.404 0.000 1.245 553 W CB -0.503 28.811 29.460 -0.244 0.000 1.126 553 W HN 0.051 nan 8.180 nan 0.000 0.545 554 Q N 0.788 120.522 119.800 -0.109 0.000 2.124 554 Q HA -0.167 4.180 4.340 0.012 0.000 0.202 554 Q C 2.163 178.108 176.000 -0.092 0.000 0.977 554 Q CA 2.030 57.799 55.803 -0.057 0.000 0.850 554 Q CB -0.529 28.182 28.738 -0.044 0.000 0.901 554 Q HN 0.278 nan 8.270 nan 0.000 0.429 555 A N 0.102 122.772 122.820 -0.251 0.000 1.898 555 A HA -0.119 4.209 4.320 0.012 0.000 0.216 555 A C 1.826 179.378 177.584 -0.054 0.000 1.181 555 A CA 1.119 53.038 52.037 -0.197 0.000 0.620 555 A CB -0.791 17.954 19.000 -0.425 0.000 0.819 555 A HN 0.360 nan 8.150 nan 0.000 0.442 556 F N 0.233 120.005 119.950 -0.295 0.000 2.126 556 F HA -0.117 4.418 4.527 0.012 0.000 0.299 556 F C 2.496 178.199 175.800 -0.163 0.000 1.096 556 F CA 1.285 59.084 58.000 -0.336 0.000 1.255 556 F CB -0.836 37.741 39.000 -0.705 0.000 0.997 556 F HN 0.174 nan 8.300 nan 0.000 0.479 557 R N -0.325 120.226 120.500 0.084 0.000 2.115 557 R HA -0.135 4.212 4.340 0.012 0.000 0.226 557 R C 2.157 178.492 176.300 0.058 0.000 1.100 557 R CA 1.034 57.172 56.100 0.062 0.000 0.980 557 R CB -0.397 29.938 30.300 0.059 0.000 0.875 557 R HN 0.373 nan 8.270 nan 0.000 0.445 558 Q N -0.336 119.524 119.800 0.100 0.000 2.137 558 Q HA -0.070 4.277 4.340 0.012 0.000 0.198 558 Q C -0.461 175.580 176.000 0.068 0.000 0.960 558 Q CA 1.017 56.875 55.803 0.093 0.000 0.847 558 Q CB 0.353 29.180 28.738 0.148 0.000 0.915 558 Q HN 0.179 nan 8.270 nan 0.000 0.448 559 Y N -0.136 120.145 120.300 -0.032 0.000 2.331 559 Y HA 0.274 4.830 4.550 0.011 0.000 0.338 559 Y C -1.799 174.076 175.900 -0.041 0.000 0.976 559 Y CA -2.859 55.222 58.100 -0.031 0.000 1.137 559 Y CB 1.507 39.953 38.460 -0.024 0.000 1.172 559 Y HN 0.101 nan 8.280 nan 0.000 0.478 560 P HA -0.141 nan 4.420 nan 0.000 0.215 560 P C 1.064 178.367 177.300 0.005 0.000 1.153 560 P CA 1.801 64.905 63.100 0.006 0.000 0.853 560 P CB 0.316 32.005 31.700 -0.019 0.000 0.788 561 R N -1.172 119.349 120.500 0.035 0.000 2.307 561 R HA 0.093 4.440 4.340 0.012 0.000 0.199 561 R C 0.482 176.763 176.300 -0.032 0.000 1.000 561 R CA 0.129 56.231 56.100 0.002 0.000 1.023 561 R CB -0.488 29.823 30.300 0.017 0.000 0.908 561 R HN 0.240 nan 8.270 nan 0.000 0.473 562 L N 2.006 123.229 121.223 0.000 0.000 2.312 562 L HA 0.112 4.459 4.340 0.012 0.000 0.287 562 L C 0.561 177.288 176.870 -0.238 0.000 1.091 562 L CA 0.191 54.984 54.840 -0.079 0.000 0.846 562 L CB 1.041 43.132 42.059 0.053 0.000 1.219 562 L HN 0.109 nan 8.230 nan 0.000 0.439 563 Q N 2.836 122.418 119.800 -0.363 0.000 2.201 563 Q HA 0.296 4.644 4.340 0.012 0.000 0.217 563 Q C 0.821 176.399 176.000 -0.703 0.000 0.860 563 Q CA 0.093 55.644 55.803 -0.421 0.000 0.984 563 Q CB 0.968 29.553 28.738 -0.255 0.000 1.095 563 Q HN 0.949 nan 8.270 nan 0.000 0.477 564 G N -0.387 107.602 108.800 -1.353 0.000 2.416 564 G HA2 0.102 4.069 3.960 0.012 0.000 0.203 564 G HA3 0.102 4.069 3.960 0.012 0.000 0.203 564 G C -0.310 173.758 174.900 -1.387 0.000 1.227 564 G CA -0.759 43.206 45.100 -1.892 0.000 1.041 564 G HN 0.562 nan 8.290 nan 0.000 0.546 565 G N -2.262 106.023 108.800 -0.858 0.000 2.349 565 G HA2 0.645 4.612 3.960 0.012 0.000 0.294 565 G HA3 0.645 4.612 3.960 0.012 0.000 0.294 565 G C -1.835 173.007 174.900 -0.096 0.000 1.380 565 G CA -0.324 44.495 45.100 -0.468 0.000 0.811 565 G HN 1.132 nan 8.290 nan 0.000 0.519 566 F N 0.775 120.988 119.950 0.440 0.000 2.403 566 F HA 0.498 5.031 4.527 0.011 0.000 0.355 566 F C 0.818 176.898 175.800 0.467 0.000 1.119 566 F CA -0.743 57.525 58.000 0.447 0.000 1.007 566 F CB 2.059 41.217 39.000 0.264 0.000 1.194 566 F HN 0.247 nan 8.300 nan 0.000 0.443 567 V N 3.465 123.669 119.914 0.484 0.000 2.788 567 V HA -0.191 3.936 4.120 0.012 0.000 0.307 567 V C -0.156 176.084 176.094 0.243 0.000 1.069 567 V CA -0.091 62.286 62.300 0.129 0.000 1.173 567 V CB 0.557 32.492 31.823 0.187 0.000 0.925 567 V HN 0.770 nan 8.190 nan 0.000 0.492 568 W N 6.733 128.092 121.300 0.100 0.000 2.282 568 W HA 0.449 5.116 4.660 0.012 0.000 0.322 568 W C -0.814 175.734 176.519 0.048 0.000 1.011 568 W CA -0.669 56.784 57.345 0.180 0.000 1.392 568 W CB 1.211 30.930 29.460 0.433 0.000 1.215 568 W HN 0.925 nan 8.180 nan 0.000 0.394 569 D N 2.639 122.720 120.400 -0.532 0.000 2.812 569 D HA 0.101 4.749 4.640 0.012 0.000 0.318 569 D C 0.555 176.687 176.300 -0.280 0.000 1.234 569 D CA -0.563 53.048 54.000 -0.648 0.000 0.989 569 D CB 0.215 40.161 40.800 -1.423 0.000 1.442 569 D HN 0.410 nan 8.370 nan 0.000 0.537 570 W N 0.362 121.404 121.300 -0.429 0.000 2.452 570 W HA 0.180 4.847 4.660 0.013 0.000 0.313 570 W C -0.134 176.244 176.519 -0.235 0.000 1.176 570 W CA 0.903 58.055 57.345 -0.321 0.000 1.350 570 W CB 0.407 29.688 29.460 -0.297 0.000 1.148 570 W HN 0.161 nan 8.180 nan 0.000 0.498 571 V N 2.729 122.492 119.914 -0.252 0.000 2.656 571 V HA 0.259 4.386 4.120 0.012 0.000 0.307 571 V C -0.862 175.108 176.094 -0.206 0.000 1.051 571 V CA -0.795 61.302 62.300 -0.337 0.000 0.893 571 V CB 1.522 33.228 31.823 -0.196 0.000 0.999 571 V HN -0.106 nan 8.190 nan 0.000 0.426 572 D N 3.958 124.249 120.400 -0.181 0.000 2.443 572 D HA 0.144 4.792 4.640 0.012 0.000 0.239 572 D C 0.220 176.403 176.300 -0.195 0.000 1.136 572 D CA 0.567 54.483 54.000 -0.140 0.000 0.879 572 D CB 0.923 41.709 40.800 -0.022 0.000 1.195 572 D HN 0.624 nan 8.370 nan 0.000 0.443 573 Q N 1.035 120.639 119.800 -0.328 0.000 3.207 573 Q HA 0.159 4.506 4.340 0.012 0.000 0.335 573 Q C -0.197 175.770 176.000 -0.054 0.000 1.374 573 Q CA -0.370 54.992 55.803 -0.735 0.000 1.023 573 Q CB 0.112 28.523 28.738 -0.545 0.000 1.576 573 Q HN 0.354 nan 8.270 nan 0.000 0.515 574 S N -0.103 115.674 115.700 0.128 0.000 2.646 574 S HA 0.651 5.128 4.470 0.012 0.000 0.276 574 S C -0.120 174.657 174.600 0.296 0.000 1.222 574 S CA -0.785 57.596 58.200 0.301 0.000 1.014 574 S CB 1.487 64.843 63.200 0.261 0.000 0.991 574 S HN 0.337 nan 8.310 nan 0.000 0.533 575 L N 1.540 122.860 121.223 0.162 0.000 2.342 575 L HA 0.525 4.872 4.340 0.012 0.000 0.271 575 L C -0.444 176.339 176.870 -0.145 0.000 1.008 575 L CA -1.191 53.621 54.840 -0.046 0.000 0.818 575 L CB 1.449 43.364 42.059 -0.241 0.000 1.296 575 L HN 0.551 nan 8.230 nan 0.000 0.427 576 I N 2.326 122.756 120.570 -0.234 0.000 2.441 576 I HA 0.252 4.429 4.170 0.012 0.000 0.287 576 I C 0.126 175.847 176.117 -0.659 0.000 1.049 576 I CA -0.009 61.017 61.300 -0.457 0.000 1.381 576 I CB 1.015 38.761 38.000 -0.424 0.000 1.409 576 I HN 0.585 nan 8.210 nan 0.000 0.523 577 K N 5.345 125.070 120.400 -1.126 0.000 2.350 577 K HA 0.575 4.902 4.320 0.012 0.000 0.241 577 K C -1.580 174.157 176.600 -1.439 0.000 0.994 577 K CA -0.698 54.835 56.287 -1.257 0.000 0.839 577 K CB 2.290 33.845 32.500 -1.576 0.000 1.244 577 K HN 0.228 nan 8.250 nan 0.000 0.443 578 Y N 0.862 120.910 120.300 -0.421 0.000 2.376 578 Y HA 0.136 4.693 4.550 0.012 0.000 0.340 578 Y C 0.031 175.997 175.900 0.110 0.000 0.965 578 Y CA -1.176 56.852 58.100 -0.120 0.000 1.078 578 Y CB 1.279 39.690 38.460 -0.081 0.000 1.193 578 Y HN 0.669 nan 8.280 nan 0.000 0.452 579 D N 0.500 121.135 120.400 0.390 0.000 2.398 579 D HA 0.025 4.672 4.640 0.012 0.000 0.247 579 D C 1.020 177.430 176.300 0.183 0.000 1.227 579 D CA -0.259 53.923 54.000 0.304 0.000 0.980 579 D CB 0.818 41.751 40.800 0.221 0.000 1.106 579 D HN 0.424 nan 8.370 nan 0.000 0.493 580 E N -0.178 120.093 120.200 0.118 0.000 2.136 580 E HA -0.219 4.139 4.350 0.012 0.000 0.202 580 E C 1.260 177.898 176.600 0.064 0.000 1.019 580 E CA 1.226 57.669 56.400 0.073 0.000 0.819 580 E CB -0.334 29.393 29.700 0.045 0.000 0.739 580 E HN 0.464 nan 8.360 nan 0.000 0.458 581 N N -0.721 118.024 118.700 0.074 0.000 2.494 581 N HA -0.022 4.726 4.740 0.012 0.000 0.182 581 N C 1.023 176.579 175.510 0.076 0.000 1.076 581 N CA 1.064 54.152 53.050 0.063 0.000 0.908 581 N CB 0.351 38.874 38.487 0.060 0.000 0.967 581 N HN 0.289 nan 8.380 nan 0.000 0.449 582 G N 0.530 109.399 108.800 0.115 0.000 2.136 582 G HA2 -0.240 3.727 3.960 0.012 0.000 0.242 582 G HA3 -0.240 3.727 3.960 0.012 0.000 0.242 582 G C -0.325 174.712 174.900 0.229 0.000 0.989 582 G CA -0.400 44.782 45.100 0.137 0.000 0.682 582 G HN 0.260 nan 8.290 nan 0.000 0.522 583 N N 1.717 120.551 118.700 0.222 0.000 2.455 583 N HA 0.458 5.206 4.740 0.012 0.000 0.280 583 N C -2.362 173.267 175.510 0.199 0.000 1.055 583 N CA -1.192 51.977 53.050 0.198 0.000 0.961 583 N CB 1.889 40.464 38.487 0.147 0.000 1.121 583 N HN 0.180 nan 8.380 nan 0.000 0.476 584 P HA 0.232 nan 4.420 nan 0.000 0.274 584 P C -0.520 176.715 177.300 -0.109 0.000 1.231 584 P CA -0.233 62.706 63.100 -0.269 0.000 0.790 584 P CB 0.675 32.245 31.700 -0.216 0.000 0.951 585 W N -0.845 120.202 121.300 -0.420 0.000 3.296 585 W HA 0.366 5.033 4.660 0.012 0.000 0.314 585 W C -1.534 174.783 176.519 -0.337 0.000 1.238 585 W CA -0.971 56.121 57.345 -0.422 0.000 1.193 585 W CB 0.309 29.245 29.460 -0.875 0.000 1.383 585 W HN 0.113 nan 8.180 nan 0.000 0.545 586 S N 1.820 117.601 115.700 0.134 0.000 2.481 586 S HA 0.557 5.035 4.470 0.012 0.000 0.276 586 S C 0.256 175.026 174.600 0.284 0.000 1.247 586 S CA -0.144 58.133 58.200 0.127 0.000 1.053 586 S CB 0.852 64.177 63.200 0.208 0.000 0.925 586 S HN 0.605 nan 8.310 nan 0.000 0.491 587 A N 2.946 125.794 122.820 0.048 0.000 2.311 587 A HA 0.887 5.215 4.320 0.012 0.000 0.334 587 A C -0.651 177.177 177.584 0.408 0.000 1.139 587 A CA -0.746 51.367 52.037 0.127 0.000 0.830 587 A CB 0.689 19.447 19.000 -0.404 0.000 1.234 587 A HN 0.835 nan 8.150 nan 0.000 0.483 588 Y N -0.861 119.753 120.300 0.523 0.000 3.048 588 Y HA 0.777 5.335 4.550 0.013 0.000 0.305 588 Y C 0.643 176.902 175.900 0.599 0.000 1.538 588 Y CA -1.426 56.978 58.100 0.505 0.000 1.082 588 Y CB -0.123 38.468 38.460 0.218 0.000 1.388 588 Y HN 0.903 nan 8.280 nan 0.000 0.557 589 G N -0.325 108.864 108.800 0.648 0.000 2.353 589 G HA2 0.378 4.345 3.960 0.012 0.000 0.239 589 G HA3 0.378 4.345 3.960 0.012 0.000 0.239 589 G C 0.948 176.160 174.900 0.520 0.000 1.295 589 G CA 0.339 45.751 45.100 0.520 0.000 0.884 589 G HN 1.974 nan 8.290 nan 0.000 0.537 590 G N 1.912 110.985 108.800 0.455 0.000 2.253 590 G HA2 -0.282 3.685 3.960 0.012 0.000 0.251 590 G HA3 -0.282 3.685 3.960 0.012 0.000 0.251 590 G C 0.897 175.979 174.900 0.304 0.000 0.998 590 G CA 0.674 45.978 45.100 0.340 0.000 0.621 590 G HN 0.646 nan 8.290 nan 0.000 0.524 591 D N -0.262 120.329 120.400 0.318 0.000 2.378 591 D HA 0.159 4.807 4.640 0.012 0.000 0.227 591 D C 1.176 177.337 176.300 -0.232 0.000 1.012 591 D CA 0.462 54.487 54.000 0.043 0.000 0.905 591 D CB -0.194 40.566 40.800 -0.067 0.000 0.895 591 D HN 0.487 nan 8.370 nan 0.000 0.532 592 F N -0.964 119.112 119.950 0.209 0.000 2.698 592 F HA 0.298 4.832 4.527 0.012 0.000 0.304 592 F C 1.757 177.642 175.800 0.142 0.000 1.108 592 F CA -0.214 57.868 58.000 0.137 0.000 1.263 592 F CB 0.924 40.001 39.000 0.128 0.000 1.013 592 F HN -0.043 nan 8.300 nan 0.000 0.532 593 G N 0.368 109.319 108.800 0.253 0.000 2.176 593 G HA2 -0.276 3.692 3.960 0.012 0.000 0.253 593 G HA3 -0.276 3.692 3.960 0.012 0.000 0.253 593 G C -0.163 174.869 174.900 0.219 0.000 0.979 593 G CA 0.118 45.337 45.100 0.198 0.000 0.641 593 G HN 0.410 nan 8.290 nan 0.000 0.530 594 D N 0.598 121.176 120.400 0.297 0.000 2.450 594 D HA 0.472 5.119 4.640 0.012 0.000 0.247 594 D C 0.118 176.534 176.300 0.194 0.000 1.162 594 D CA 1.089 55.254 54.000 0.275 0.000 0.879 594 D CB 1.525 42.556 40.800 0.385 0.000 1.163 594 D HN 0.382 nan 8.370 nan 0.000 0.472 595 T N 1.221 115.857 114.554 0.138 0.000 3.047 595 T HA 0.413 4.770 4.350 0.012 0.000 0.340 595 T C -2.765 171.967 174.700 0.054 0.000 1.421 595 T CA -1.137 61.016 62.100 0.089 0.000 1.090 595 T CB 1.173 70.094 68.868 0.089 0.000 1.292 595 T HN 0.227 nan 8.240 nan 0.000 0.480 596 P HA 0.500 nan 4.420 nan 0.000 0.272 596 P C -0.947 176.340 177.300 -0.021 0.000 1.240 596 P CA -0.289 62.808 63.100 -0.004 0.000 0.791 596 P CB 0.319 31.990 31.700 -0.047 0.000 0.978 597 N N -1.997 116.686 118.700 -0.028 0.000 2.825 597 N HA 0.277 5.025 4.740 0.012 0.000 0.253 597 N C -1.212 174.241 175.510 -0.096 0.000 1.426 597 N CA -0.772 52.235 53.050 -0.072 0.000 0.851 597 N CB 0.740 39.273 38.487 0.077 0.000 1.470 597 N HN 0.095 nan 8.380 nan 0.000 0.517 598 D N -0.192 120.097 120.400 -0.185 0.000 2.643 598 D HA 0.138 4.786 4.640 0.012 0.000 0.244 598 D C 0.367 176.873 176.300 0.344 0.000 1.257 598 D CA -0.119 53.866 54.000 -0.026 0.000 0.831 598 D CB 0.222 40.873 40.800 -0.247 0.000 1.043 598 D HN 0.706 nan 8.370 nan 0.000 0.488 599 R N 0.763 121.458 120.500 0.325 0.000 3.682 599 R HA -0.317 4.030 4.340 0.012 0.000 0.519 599 R C 1.079 177.446 176.300 0.111 0.000 0.241 599 R CA 1.457 57.749 56.100 0.321 0.000 1.619 599 R CB -1.561 28.846 30.300 0.178 0.000 0.923 599 R HN 0.149 nan 8.270 nan 0.000 0.598 600 Q N 1.444 120.982 119.800 -0.436 0.000 2.415 600 Q HA 0.009 4.356 4.340 0.012 0.000 0.206 600 Q C 1.477 177.183 176.000 -0.490 0.000 0.946 600 Q CA 1.146 56.480 55.803 -0.783 0.000 0.951 600 Q CB 0.065 28.078 28.738 -1.207 0.000 1.026 600 Q HN 0.595 nan 8.270 nan 0.000 0.510 601 F N 1.495 121.368 119.950 -0.128 0.000 2.494 601 F HA -0.114 4.420 4.527 0.012 0.000 0.298 601 F C 2.130 177.865 175.800 -0.108 0.000 1.106 601 F CA 0.991 58.993 58.000 0.004 0.000 1.452 601 F CB -0.135 38.946 39.000 0.135 0.000 1.085 601 F HN 0.420 nan 8.300 nan 0.000 0.569 602 C N -1.505 117.496 119.300 -0.498 0.000 2.576 602 C HA 0.258 4.725 4.460 0.012 0.000 0.267 602 C C 0.972 175.761 174.990 -0.335 0.000 1.364 602 C CA -0.519 58.043 59.018 -0.759 0.000 1.723 602 C CB -1.698 25.080 27.740 -1.603 0.000 1.778 602 C HN 0.170 nan 8.230 nan 0.000 0.572 603 M N 2.588 122.040 119.600 -0.247 0.000 2.060 603 M HA 0.283 4.771 4.480 0.012 0.000 0.342 603 M C -0.409 175.767 176.300 -0.206 0.000 1.031 603 M CA 0.334 55.524 55.300 -0.184 0.000 0.981 603 M CB 0.074 32.599 32.600 -0.126 0.000 1.376 603 M HN 0.343 nan 8.290 nan 0.000 0.397 604 N N 0.934 119.515 118.700 -0.199 0.000 2.240 604 N HA 0.187 4.934 4.740 0.012 0.000 0.240 604 N C 0.378 175.697 175.510 -0.318 0.000 1.277 604 N CA -0.538 52.349 53.050 -0.272 0.000 0.873 604 N CB 1.222 39.619 38.487 -0.150 0.000 1.222 604 N HN 0.668 nan 8.380 nan 0.000 0.507 605 G N 0.114 108.749 108.800 -0.276 0.000 2.476 605 G HA2 0.307 4.275 3.960 0.012 0.000 0.269 605 G HA3 0.307 4.275 3.960 0.012 0.000 0.269 605 G C 0.798 175.557 174.900 -0.236 0.000 1.195 605 G CA -0.514 44.414 45.100 -0.287 0.000 0.843 605 G HN 0.115 nan 8.290 nan 0.000 0.545 606 L N 0.323 121.358 121.223 -0.313 0.000 2.291 606 L HA 0.070 4.417 4.340 0.012 0.000 0.214 606 L C 1.068 177.737 176.870 -0.334 0.000 1.120 606 L CA 0.483 55.164 54.840 -0.266 0.000 0.799 606 L CB -0.485 41.419 42.059 -0.259 0.000 0.925 606 L HN 0.414 nan 8.230 nan 0.000 0.446 607 V N -5.026 114.528 119.914 -0.599 0.000 2.864 607 V HA 0.470 4.597 4.120 0.012 0.000 0.314 607 V C -0.150 175.584 176.094 -0.600 0.000 1.073 607 V CA -1.284 60.621 62.300 -0.658 0.000 0.956 607 V CB 1.550 32.922 31.823 -0.751 0.000 1.023 607 V HN -0.164 nan 8.190 nan 0.000 0.435 608 F N 1.561 121.133 119.950 -0.630 0.000 2.485 608 F HA 0.540 5.075 4.527 0.013 0.000 0.327 608 F C 1.904 177.554 175.800 -0.250 0.000 1.203 608 F CA 0.708 58.458 58.000 -0.416 0.000 1.295 608 F CB 0.820 39.586 39.000 -0.390 0.000 1.191 608 F HN 0.779 nan 8.300 nan 0.000 0.588 609 A N 0.812 123.674 122.820 0.070 0.000 2.032 609 A HA -0.219 4.109 4.320 0.012 0.000 0.221 609 A C 1.585 179.127 177.584 -0.069 0.000 1.165 609 A CA 1.873 53.927 52.037 0.027 0.000 0.645 609 A CB -0.983 18.078 19.000 0.101 0.000 0.807 609 A HN 0.777 nan 8.150 nan 0.000 0.453 610 D N -2.792 117.568 120.400 -0.066 0.000 2.325 610 D HA 0.155 4.803 4.640 0.012 0.000 0.234 610 D C 0.622 176.872 176.300 -0.084 0.000 1.122 610 D CA -0.102 53.833 54.000 -0.110 0.000 0.850 610 D CB -0.142 40.593 40.800 -0.109 0.000 0.921 610 D HN 0.205 nan 8.370 nan 0.000 0.513 611 R N -1.848 118.599 120.500 -0.087 0.000 3.892 611 R HA -0.126 4.222 4.340 0.012 0.000 0.441 611 R C -0.259 175.990 176.300 -0.085 0.000 1.052 611 R CA 1.106 57.149 56.100 -0.096 0.000 1.190 611 R CB -3.175 27.116 30.300 -0.015 0.000 1.808 611 R HN 0.246 nan 8.270 nan 0.000 0.538 612 T N 2.187 116.709 114.554 -0.054 0.000 2.901 612 T HA 0.347 4.704 4.350 0.012 0.000 0.301 612 T C -2.277 172.411 174.700 -0.020 0.000 1.012 612 T CA -0.779 61.303 62.100 -0.030 0.000 1.135 612 T CB 1.027 69.852 68.868 -0.072 0.000 0.936 612 T HN -0.103 nan 8.240 nan 0.000 0.539 613 P HA 0.271 nan 4.420 nan 0.000 0.274 613 P C -0.463 176.762 177.300 -0.124 0.000 1.231 613 P CA -0.292 62.735 63.100 -0.121 0.000 0.790 613 P CB 0.475 32.144 31.700 -0.051 0.000 0.951 614 H N 2.161 121.100 119.070 -0.218 0.000 2.495 614 H HA 0.199 4.762 4.556 0.012 0.000 0.350 614 H C -1.285 173.957 175.328 -0.143 0.000 1.202 614 H CA -1.496 54.387 56.048 -0.275 0.000 1.322 614 H CB 0.186 29.715 29.762 -0.389 0.000 1.544 614 H HN 0.339 nan 8.280 nan 0.000 0.565 615 P HA -0.140 nan 4.420 nan 0.000 0.220 615 P C 0.861 178.165 177.300 0.006 0.000 1.148 615 P CA 1.430 64.533 63.100 0.004 0.000 0.803 615 P CB 0.103 31.809 31.700 0.011 0.000 0.782 616 A N -0.554 122.265 122.820 -0.003 0.000 2.067 616 A HA -0.152 4.175 4.320 0.012 0.000 0.219 616 A C 2.024 179.565 177.584 -0.073 0.000 1.158 616 A CA 1.008 53.008 52.037 -0.062 0.000 0.661 616 A CB -1.514 17.410 19.000 -0.127 0.000 0.801 616 A HN 0.165 nan 8.150 nan 0.000 0.452 617 L N -0.525 120.682 121.223 -0.027 0.000 2.042 617 L HA -0.132 4.215 4.340 0.012 0.000 0.210 617 L C 2.473 179.390 176.870 0.079 0.000 1.076 617 L CA 2.758 57.617 54.840 0.032 0.000 0.749 617 L CB -0.991 41.085 42.059 0.028 0.000 0.893 617 L HN 0.355 nan 8.230 nan 0.000 0.432 618 T N -1.698 112.908 114.554 0.086 0.000 2.867 618 T HA -0.180 4.178 4.350 0.012 0.000 0.268 618 T C 1.789 176.602 174.700 0.189 0.000 1.057 618 T CA 1.348 63.556 62.100 0.180 0.000 1.136 618 T CB -0.144 68.810 68.868 0.143 0.000 0.874 618 T HN 0.480 nan 8.240 nan 0.000 0.466 619 E N 0.933 121.183 120.200 0.082 0.000 2.077 619 E HA 0.046 4.403 4.350 0.012 0.000 0.193 619 E C 2.186 178.793 176.600 0.011 0.000 0.989 619 E CA 1.430 57.880 56.400 0.082 0.000 0.800 619 E CB -0.640 29.071 29.700 0.019 0.000 0.746 619 E HN 0.532 nan 8.360 nan 0.000 0.452 620 A N 0.856 123.570 122.820 -0.176 0.000 1.902 620 A HA -0.212 4.115 4.320 0.012 0.000 0.217 620 A C 2.154 179.624 177.584 -0.190 0.000 1.181 620 A CA 1.853 53.729 52.037 -0.269 0.000 0.623 620 A CB -0.597 18.221 19.000 -0.303 0.000 0.818 620 A HN 0.255 nan 8.150 nan 0.000 0.443 621 K N -1.197 119.168 120.400 -0.058 0.000 2.044 621 K HA -0.294 4.033 4.320 0.012 0.000 0.210 621 K C 2.062 178.551 176.600 -0.184 0.000 1.049 621 K CA 2.053 58.318 56.287 -0.038 0.000 0.927 621 K CB -0.330 32.304 32.500 0.223 0.000 0.713 621 K HN 0.656 nan 8.250 nan 0.000 0.443 622 H N 0.348 119.242 119.070 -0.293 0.000 2.326 622 H HA -0.011 4.552 4.556 0.013 0.000 0.301 622 H C 1.951 177.010 175.328 -0.449 0.000 1.081 622 H CA 1.738 57.431 56.048 -0.592 0.000 1.334 622 H CB 0.084 29.546 29.762 -0.501 0.000 1.385 622 H HN 0.229 nan 8.280 nan 0.000 0.504 623 Q N 0.238 119.799 119.800 -0.399 0.000 2.224 623 Q HA -0.095 4.252 4.340 0.012 0.000 0.203 623 Q C 1.398 176.865 176.000 -0.889 0.000 0.970 623 Q CA 1.150 56.640 55.803 -0.521 0.000 0.865 623 Q CB 0.030 28.638 28.738 -0.217 0.000 0.922 623 Q HN 0.705 nan 8.270 nan 0.000 0.445 624 Q N 0.307 119.531 119.800 -0.960 0.000 2.247 624 Q HA 0.089 4.437 4.340 0.012 0.000 0.205 624 Q C -0.120 175.316 176.000 -0.940 0.000 0.896 624 Q CA -0.214 54.861 55.803 -1.214 0.000 0.950 624 Q CB 0.336 28.407 28.738 -1.111 0.000 1.054 624 Q HN 0.366 nan 8.270 nan 0.000 0.482 625 Q N -0.532 118.862 119.800 -0.678 0.000 2.428 625 Q HA -0.011 4.336 4.340 0.012 0.000 0.276 625 Q C -0.112 175.514 176.000 -0.623 0.000 1.059 625 Q CA 0.410 55.946 55.803 -0.444 0.000 0.923 625 Q CB 0.479 29.048 28.738 -0.282 0.000 1.283 625 Q HN 0.324 nan 8.270 nan 0.000 0.447 626 F N 0.124 119.847 119.950 -0.379 0.000 2.695 626 F HA 0.232 4.766 4.527 0.012 0.000 0.303 626 F C -0.277 174.918 175.800 -1.008 0.000 1.091 626 F CA -0.054 57.471 58.000 -0.792 0.000 1.300 626 F CB 0.595 38.834 39.000 -1.268 0.000 1.071 626 F HN 0.295 nan 8.300 nan 0.000 0.578 627 F N 0.405 120.266 119.950 -0.148 0.000 2.529 627 F HA 0.472 5.007 4.527 0.013 0.000 0.320 627 F C -0.195 175.243 175.800 -0.604 0.000 1.118 627 F CA -1.135 56.663 58.000 -0.337 0.000 0.915 627 F CB 1.336 40.133 39.000 -0.338 0.000 1.161 627 F HN -0.306 nan 8.300 nan 0.000 0.445 628 Q N 2.973 122.508 119.800 -0.441 0.000 2.301 628 Q HA 0.612 4.960 4.340 0.012 0.000 0.267 628 Q C -1.348 174.391 176.000 -0.436 0.000 1.035 628 Q CA -0.640 54.966 55.803 -0.329 0.000 0.856 628 Q CB 2.910 31.572 28.738 -0.128 0.000 1.337 628 Q HN 0.546 nan 8.270 nan 0.000 0.450 629 F N -0.074 120.008 119.950 0.219 0.000 2.603 629 F HA 0.605 5.140 4.527 0.013 0.000 0.317 629 F C 0.270 176.307 175.800 0.394 0.000 1.066 629 F CA -0.839 57.361 58.000 0.333 0.000 0.941 629 F CB 2.052 41.377 39.000 0.542 0.000 1.291 629 F HN 0.169 nan 8.300 nan 0.000 0.472 630 R N 1.182 121.986 120.500 0.506 0.000 2.771 630 R HA 0.745 5.093 4.340 0.012 0.000 0.274 630 R C -2.038 174.309 176.300 0.078 0.000 0.987 630 R CA -1.214 55.100 56.100 0.357 0.000 0.908 630 R CB 2.972 33.387 30.300 0.191 0.000 1.213 630 R HN 0.588 nan 8.270 nan 0.000 0.468 631 L N 0.350 121.488 121.223 -0.141 0.000 2.362 631 L HA 0.544 4.891 4.340 0.012 0.000 0.275 631 L C -1.107 175.603 176.870 -0.266 0.000 0.998 631 L CA 0.080 54.617 54.840 -0.505 0.000 0.820 631 L CB 2.274 43.532 42.059 -1.337 0.000 1.270 631 L HN 0.496 nan 8.230 nan 0.000 0.415 632 S N 3.674 119.247 115.700 -0.212 0.000 2.664 632 S HA 0.720 5.198 4.470 0.012 0.000 0.262 632 S C 0.231 174.746 174.600 -0.141 0.000 1.229 632 S CA 0.283 58.402 58.200 -0.134 0.000 1.151 632 S CB 0.170 63.325 63.200 -0.075 0.000 1.054 632 S HN 1.490 nan 8.310 nan 0.000 0.483 633 G N 4.277 112.990 108.800 -0.144 0.000 2.552 633 G HA2 -0.282 3.685 3.960 0.012 0.000 0.267 633 G HA3 -0.282 3.685 3.960 0.012 0.000 0.267 633 G C 0.013 174.803 174.900 -0.184 0.000 1.174 633 G CA 0.597 45.616 45.100 -0.135 0.000 0.955 633 G HN 0.917 nan 8.290 nan 0.000 0.546 634 Q N 0.384 120.076 119.800 -0.179 0.000 2.155 634 Q HA 0.494 4.841 4.340 0.012 0.000 0.220 634 Q C 0.410 176.267 176.000 -0.237 0.000 0.819 634 Q CA 0.648 56.316 55.803 -0.225 0.000 1.032 634 Q CB -0.223 28.392 28.738 -0.205 0.000 1.151 634 Q HN 0.536 nan 8.270 nan 0.000 0.487 635 T N 1.644 116.075 114.554 -0.205 0.000 2.749 635 T HA 0.612 4.969 4.350 0.012 0.000 0.287 635 T C -0.281 174.301 174.700 -0.197 0.000 0.970 635 T CA -0.379 61.618 62.100 -0.170 0.000 0.980 635 T CB 0.629 69.430 68.868 -0.111 0.000 0.924 635 T HN 0.221 nan 8.240 nan 0.000 0.456 636 I N 2.962 123.430 120.570 -0.169 0.000 2.336 636 I HA 0.312 4.490 4.170 0.012 0.000 0.292 636 I C 0.526 176.648 176.117 0.008 0.000 0.991 636 I CA -0.555 60.672 61.300 -0.122 0.000 1.227 636 I CB 1.314 39.257 38.000 -0.095 0.000 1.366 636 I HN 0.540 nan 8.210 nan 0.000 0.466 637 E N 6.686 126.923 120.200 0.063 0.000 2.113 637 E HA 0.412 4.770 4.350 0.012 0.000 0.273 637 E C -1.492 175.209 176.600 0.168 0.000 0.924 637 E CA -0.578 55.877 56.400 0.091 0.000 0.764 637 E CB 1.459 31.199 29.700 0.067 0.000 1.104 637 E HN 0.353 nan 8.360 nan 0.000 0.406 638 V N 4.280 124.277 119.914 0.139 0.000 2.394 638 V HA 0.303 4.430 4.120 0.012 0.000 0.282 638 V C 0.035 176.153 176.094 0.040 0.000 1.031 638 V CA -0.500 61.852 62.300 0.087 0.000 0.881 638 V CB 1.701 33.600 31.823 0.127 0.000 0.982 638 V HN 0.693 nan 8.190 nan 0.000 0.451 639 T N 3.379 117.917 114.554 -0.027 0.000 2.797 639 T HA 0.340 4.697 4.350 0.012 0.000 0.279 639 T C -0.031 174.666 174.700 -0.006 0.000 0.991 639 T CA -0.253 61.846 62.100 -0.002 0.000 0.979 639 T CB 1.545 70.395 68.868 -0.031 0.000 0.943 639 T HN 0.682 nan 8.240 nan 0.000 0.444 640 S N 1.792 117.499 115.700 0.012 0.000 2.499 640 S HA 0.217 4.694 4.470 0.012 0.000 0.279 640 S C 0.799 175.272 174.600 -0.213 0.000 1.219 640 S CA -0.548 57.576 58.200 -0.127 0.000 1.062 640 S CB 0.607 63.821 63.200 0.023 0.000 0.978 640 S HN 0.725 nan 8.310 nan 0.000 0.489 641 E N 2.835 122.798 120.200 -0.396 0.000 2.474 641 E HA 0.085 4.443 4.350 0.012 0.000 0.195 641 E C -0.722 175.698 176.600 -0.299 0.000 1.039 641 E CA -0.106 56.108 56.400 -0.310 0.000 0.881 641 E CB 0.234 29.731 29.700 -0.337 0.000 0.970 641 E HN 0.671 nan 8.360 nan 0.000 0.486 642 Y N 0.607 120.786 120.300 -0.202 0.000 2.480 642 Y HA -0.058 4.499 4.550 0.012 0.000 0.338 642 Y C 1.400 177.148 175.900 -0.253 0.000 1.220 642 Y CA 0.508 58.493 58.100 -0.191 0.000 1.430 642 Y CB 0.556 38.895 38.460 -0.201 0.000 1.311 642 Y HN -0.030 nan 8.280 nan 0.000 0.575 643 L N 1.133 122.207 121.223 -0.248 0.000 2.357 643 L HA 0.016 4.363 4.340 0.012 0.000 0.211 643 L C 0.714 177.178 176.870 -0.675 0.000 1.075 643 L CA 0.659 55.109 54.840 -0.650 0.000 0.830 643 L CB -0.020 41.203 42.059 -1.392 0.000 0.996 643 L HN 0.573 nan 8.230 nan 0.000 0.467 644 F N -0.587 119.388 119.950 0.042 0.000 2.747 644 F HA 0.210 4.743 4.527 0.011 0.000 0.305 644 F C 1.239 177.031 175.800 -0.015 0.000 1.065 644 F CA -0.721 57.275 58.000 -0.007 0.000 1.230 644 F CB 0.112 39.084 39.000 -0.047 0.000 1.027 644 F HN -0.112 nan 8.300 nan 0.000 0.607 645 R N -0.108 120.444 120.500 0.087 0.000 2.598 645 R HA 0.494 4.842 4.340 0.012 0.000 0.279 645 R C -0.962 175.349 176.300 0.019 0.000 0.984 645 R CA -0.672 55.423 56.100 -0.007 0.000 0.999 645 R CB 0.962 31.151 30.300 -0.185 0.000 1.114 645 R HN 0.086 nan 8.270 nan 0.000 0.493 646 H N 0.350 119.406 119.070 -0.023 0.000 2.508 646 H HA 0.131 4.694 4.556 0.012 0.000 0.358 646 H C -0.085 175.259 175.328 0.028 0.000 1.212 646 H CA 0.023 56.089 56.048 0.030 0.000 1.356 646 H CB 1.268 31.052 29.762 0.037 0.000 1.525 646 H HN 0.746 nan 8.280 nan 0.000 0.578 647 S N 1.697 117.321 115.700 -0.126 0.000 4.183 647 S HA -0.010 4.467 4.470 0.012 0.000 0.195 647 S C -0.017 174.650 174.600 0.113 0.000 1.421 647 S CA -0.264 57.976 58.200 0.067 0.000 0.920 647 S CB -0.794 62.464 63.200 0.097 0.000 1.525 647 S HN 0.703 nan 8.310 nan 0.000 0.447 648 D N 0.560 121.046 120.400 0.143 0.000 2.324 648 D HA 0.031 4.679 4.640 0.012 0.000 0.235 648 D C 0.327 176.679 176.300 0.087 0.000 1.095 648 D CA -0.139 53.948 54.000 0.146 0.000 0.871 648 D CB -0.336 40.538 40.800 0.125 0.000 0.906 648 D HN 0.486 nan 8.370 nan 0.000 0.522 649 N N 0.026 118.775 118.700 0.083 0.000 2.639 649 N HA 0.158 4.905 4.740 0.012 0.000 0.265 649 N C -1.621 173.943 175.510 0.090 0.000 1.689 649 N CA -0.203 52.889 53.050 0.070 0.000 0.813 649 N CB 0.285 38.803 38.487 0.051 0.000 1.353 649 N HN -0.040 nan 8.380 nan 0.000 0.510 650 E N -0.180 120.066 120.200 0.077 0.000 2.352 650 E HA 0.537 4.894 4.350 0.012 0.000 0.280 650 E C -1.528 175.098 176.600 0.043 0.000 0.930 650 E CA -0.712 55.725 56.400 0.062 0.000 0.765 650 E CB 1.959 31.659 29.700 -0.000 0.000 1.219 650 E HN 0.282 nan 8.360 nan 0.000 0.434 651 L N -0.215 121.046 121.223 0.062 0.000 2.393 651 L HA 0.750 5.098 4.340 0.012 0.000 0.260 651 L C -1.524 175.405 176.870 0.098 0.000 1.002 651 L CA -1.079 53.800 54.840 0.066 0.000 0.818 651 L CB 1.056 43.153 42.059 0.064 0.000 1.369 651 L HN 0.478 nan 8.230 nan 0.000 0.412 652 L N 2.122 123.407 121.223 0.104 0.000 2.275 652 L HA 0.519 4.866 4.340 0.012 0.000 0.288 652 L C -0.624 176.355 176.870 0.182 0.000 1.046 652 L CA 0.248 55.190 54.840 0.171 0.000 0.805 652 L CB 0.444 42.620 42.059 0.194 0.000 1.193 652 L HN 0.620 nan 8.230 nan 0.000 0.426 653 H N 5.598 124.748 119.070 0.133 0.000 2.457 653 H HA 0.385 4.949 4.556 0.012 0.000 0.335 653 H C -1.352 174.074 175.328 0.163 0.000 1.115 653 H CA -0.338 55.745 56.048 0.059 0.000 1.219 653 H CB 1.251 31.013 29.762 0.001 0.000 1.471 653 H HN 0.718 nan 8.280 nan 0.000 0.491 654 W N 4.352 125.728 121.300 0.127 0.000 2.844 654 W HA 0.540 5.208 4.660 0.012 0.000 0.340 654 W C -1.768 174.818 176.519 0.111 0.000 1.093 654 W CA -1.275 56.138 57.345 0.114 0.000 1.212 654 W CB 1.507 31.012 29.460 0.075 0.000 1.422 654 W HN 0.505 nan 8.180 nan 0.000 0.515 655 M N 3.532 123.405 119.600 0.455 0.000 2.371 655 M HA 0.594 5.081 4.480 0.012 0.000 0.287 655 M C -2.486 174.043 176.300 0.382 0.000 1.149 655 M CA -0.347 55.097 55.300 0.240 0.000 0.929 655 M CB 2.301 34.962 32.600 0.101 0.000 1.683 655 M HN 0.199 nan 8.290 nan 0.000 0.470 656 V N 3.699 123.823 119.914 0.350 0.000 2.495 656 V HA 1.016 5.143 4.120 0.012 0.000 0.298 656 V C -0.422 175.789 176.094 0.195 0.000 1.031 656 V CA -0.237 62.242 62.300 0.298 0.000 0.871 656 V CB 1.354 33.361 31.823 0.306 0.000 0.988 656 V HN 1.036 nan 8.190 nan 0.000 0.432 657 A N 4.255 127.192 122.820 0.195 0.000 2.498 657 A HA 0.888 5.216 4.320 0.012 0.000 0.298 657 A C -1.510 176.181 177.584 0.179 0.000 1.075 657 A CA -0.619 51.501 52.037 0.138 0.000 0.714 657 A CB 1.753 20.801 19.000 0.079 0.000 1.299 657 A HN 0.859 nan 8.150 nan 0.000 0.407 658 L N 1.438 122.739 121.223 0.131 0.000 2.276 658 L HA 0.544 4.892 4.340 0.012 0.000 0.286 658 L C -0.652 176.310 176.870 0.152 0.000 1.024 658 L CA 0.260 55.188 54.840 0.146 0.000 0.826 658 L CB 0.319 42.436 42.059 0.095 0.000 1.211 658 L HN 0.748 nan 8.230 nan 0.000 0.422 659 D N 4.761 125.316 120.400 0.258 0.000 2.697 659 D HA -0.201 4.446 4.640 0.012 0.000 0.235 659 D C 1.193 177.553 176.300 0.100 0.000 1.167 659 D CA 1.558 55.718 54.000 0.266 0.000 0.656 659 D CB -1.053 39.865 40.800 0.196 0.000 1.025 659 D HN 1.165 nan 8.370 nan 0.000 0.419 660 G N -0.787 108.037 108.800 0.039 0.000 2.253 660 G HA2 -0.382 3.586 3.960 0.012 0.000 0.251 660 G HA3 -0.382 3.586 3.960 0.012 0.000 0.251 660 G C 0.271 175.106 174.900 -0.107 0.000 0.998 660 G CA 0.575 45.587 45.100 -0.145 0.000 0.621 660 G HN 0.510 nan 8.290 nan 0.000 0.524 661 K N 2.104 122.487 120.400 -0.028 0.000 2.248 661 K HA 0.482 4.810 4.320 0.012 0.000 0.281 661 K C -2.560 174.036 176.600 -0.008 0.000 1.054 661 K CA -1.916 54.354 56.287 -0.029 0.000 0.903 661 K CB 1.514 34.011 32.500 -0.006 0.000 1.077 661 K HN 0.065 nan 8.250 nan 0.000 0.474 662 P HA -0.080 nan 4.420 nan 0.000 0.264 662 P C -0.085 177.222 177.300 0.012 0.000 1.193 662 P CA 0.072 63.163 63.100 -0.013 0.000 0.763 662 P CB 0.706 32.379 31.700 -0.044 0.000 0.810 663 L N 1.593 122.841 121.223 0.042 0.000 2.600 663 L HA 0.492 4.840 4.340 0.012 0.000 0.213 663 L C 0.576 177.486 176.870 0.066 0.000 1.045 663 L CA 0.676 55.551 54.840 0.059 0.000 0.863 663 L CB 0.353 42.468 42.059 0.094 0.000 1.189 663 L HN 0.453 nan 8.230 nan 0.000 0.484 664 A N -0.839 122.031 122.820 0.082 0.000 2.586 664 A HA 0.634 4.962 4.320 0.012 0.000 0.291 664 A C -1.177 176.351 177.584 -0.092 0.000 1.062 664 A CA 0.123 52.199 52.037 0.065 0.000 0.666 664 A CB 1.412 20.553 19.000 0.235 0.000 1.281 664 A HN 0.145 nan 8.150 nan 0.000 0.421 665 S N -1.021 114.390 115.700 -0.482 0.000 2.578 665 S HA 0.912 5.389 4.470 0.012 0.000 0.272 665 S C -0.267 173.441 174.600 -1.488 0.000 1.145 665 S CA -0.219 57.293 58.200 -1.147 0.000 0.835 665 S CB 1.031 63.928 63.200 -0.506 0.000 1.104 665 S HN 2.500 nan 8.310 nan 0.000 0.458 666 G N -0.032 107.477 108.800 -2.152 0.000 2.663 666 G HA2 0.727 4.695 3.960 0.012 0.000 0.299 666 G HA3 0.727 4.695 3.960 0.012 0.000 0.299 666 G C -2.312 172.030 174.900 -0.929 0.000 1.372 666 G CA -0.899 43.494 45.100 -1.178 0.000 0.781 666 G HN 0.809 nan 8.290 nan 0.000 0.491 667 E N -1.171 118.792 120.200 -0.395 0.000 2.331 667 E HA 0.612 4.969 4.350 0.012 0.000 0.275 667 E C -1.573 175.015 176.600 -0.019 0.000 0.895 667 E CA -0.904 55.305 56.400 -0.319 0.000 0.753 667 E CB 3.176 32.551 29.700 -0.541 0.000 1.216 667 E HN 0.325 nan 8.360 nan 0.000 0.434 668 V N 2.161 122.111 119.914 0.060 0.000 2.760 668 V HA 0.430 4.557 4.120 0.012 0.000 0.309 668 V C -2.399 173.732 176.094 0.063 0.000 1.077 668 V CA -2.000 60.352 62.300 0.087 0.000 0.910 668 V CB 2.135 34.037 31.823 0.133 0.000 1.008 668 V HN 0.619 nan 8.190 nan 0.000 0.424 669 P HA 0.275 nan 4.420 nan 0.000 0.275 669 P C -0.923 176.410 177.300 0.054 0.000 1.228 669 P CA -0.178 62.952 63.100 0.050 0.000 0.786 669 P CB 1.011 32.741 31.700 0.050 0.000 0.927 670 L N 2.483 123.729 121.223 0.038 0.000 2.282 670 L HA 0.324 4.671 4.340 0.012 0.000 0.288 670 L C 0.113 176.999 176.870 0.027 0.000 1.033 670 L CA 0.014 54.862 54.840 0.012 0.000 0.807 670 L CB 1.030 43.047 42.059 -0.070 0.000 1.209 670 L HN 0.367 nan 8.230 nan 0.000 0.423 671 D N 3.115 123.534 120.400 0.032 0.000 2.468 671 D HA 0.307 4.955 4.640 0.012 0.000 0.272 671 D C -1.345 174.899 176.300 -0.093 0.000 1.221 671 D CA -0.016 54.026 54.000 0.070 0.000 0.860 671 D CB 1.290 42.214 40.800 0.207 0.000 1.190 671 D HN 0.101 nan 8.370 nan 0.000 0.509 672 V N 1.733 121.441 119.914 -0.343 0.000 2.656 672 V HA 0.887 5.014 4.120 0.012 0.000 0.307 672 V C -0.173 175.691 176.094 -0.383 0.000 1.051 672 V CA -0.505 61.680 62.300 -0.191 0.000 0.893 672 V CB 1.524 33.362 31.823 0.025 0.000 0.999 672 V HN 0.470 nan 8.190 nan 0.000 0.426 673 A N 8.123 130.885 122.820 -0.097 0.000 2.296 673 A HA 0.775 5.102 4.320 0.012 0.000 0.264 673 A C -2.492 175.121 177.584 0.049 0.000 1.097 673 A CA -1.483 50.598 52.037 0.073 0.000 0.811 673 A CB -0.045 19.065 19.000 0.183 0.000 1.072 673 A HN 0.747 nan 8.150 nan 0.000 0.495 674 P HA 0.032 nan 4.420 nan 0.000 0.264 674 P C -0.473 176.831 177.300 0.008 0.000 1.193 674 P CA 0.534 63.660 63.100 0.044 0.000 0.763 674 P CB 0.593 32.307 31.700 0.022 0.000 0.810 675 Q N -1.056 118.729 119.800 -0.024 0.000 2.348 675 Q HA -0.185 4.162 4.340 0.012 0.000 0.221 675 Q C 0.808 176.803 176.000 -0.008 0.000 0.735 675 Q CA 1.852 57.632 55.803 -0.038 0.000 1.351 675 Q CB -2.474 26.239 28.738 -0.042 0.000 1.640 675 Q HN 0.772 nan 8.270 nan 0.000 0.667 676 G N 0.195 109.005 108.800 0.017 0.000 2.557 676 G HA2 0.528 4.496 3.960 0.012 0.000 0.292 676 G HA3 0.528 4.496 3.960 0.012 0.000 0.292 676 G C -0.255 174.665 174.900 0.035 0.000 1.237 676 G CA -0.488 44.631 45.100 0.032 0.000 0.978 676 G HN 0.013 nan 8.290 nan 0.000 0.498 677 K N -0.818 119.606 120.400 0.040 0.000 2.435 677 K HA 0.484 4.811 4.320 0.012 0.000 0.251 677 K C -0.907 175.723 176.600 0.050 0.000 0.954 677 K CA -0.603 55.710 56.287 0.044 0.000 0.820 677 K CB 2.611 35.131 32.500 0.034 0.000 1.292 677 K HN 0.510 nan 8.250 nan 0.000 0.436 678 Q N 2.501 122.334 119.800 0.056 0.000 2.331 678 Q HA 0.426 4.774 4.340 0.012 0.000 0.272 678 Q C -1.638 174.393 176.000 0.052 0.000 1.062 678 Q CA -0.696 55.140 55.803 0.055 0.000 0.806 678 Q CB 1.463 30.237 28.738 0.059 0.000 1.312 678 Q HN 0.513 nan 8.270 nan 0.000 0.431 679 L N 4.753 125.998 121.223 0.036 0.000 2.295 679 L HA 0.585 4.932 4.340 0.012 0.000 0.285 679 L C -0.501 176.376 176.870 0.012 0.000 1.035 679 L CA -0.671 54.181 54.840 0.020 0.000 0.806 679 L CB 1.333 43.395 42.059 0.005 0.000 1.214 679 L HN 0.579 nan 8.230 nan 0.000 0.426 680 I N 2.565 123.132 120.570 -0.005 0.000 2.439 680 I HA 0.225 4.402 4.170 0.012 0.000 0.285 680 I C -0.640 175.427 176.117 -0.082 0.000 1.021 680 I CA -0.562 60.725 61.300 -0.022 0.000 1.091 680 I CB 2.189 40.190 38.000 0.002 0.000 1.242 680 I HN 0.549 nan 8.210 nan 0.000 0.439 681 E N 6.364 126.514 120.200 -0.083 0.000 2.130 681 E HA 0.395 4.752 4.350 0.012 0.000 0.284 681 E C -0.616 175.878 176.600 -0.178 0.000 1.018 681 E CA -0.282 56.045 56.400 -0.121 0.000 0.817 681 E CB 1.063 30.712 29.700 -0.085 0.000 1.078 681 E HN 0.409 nan 8.360 nan 0.000 0.396 682 L N 5.023 126.073 121.223 -0.287 0.000 2.439 682 L HA 0.268 4.615 4.340 0.012 0.000 0.269 682 L C -1.696 175.002 176.870 -0.288 0.000 1.179 682 L CA -1.914 52.654 54.840 -0.453 0.000 0.828 682 L CB 0.206 41.890 42.059 -0.625 0.000 1.106 682 L HN 0.360 nan 8.230 nan 0.000 0.467 683 P HA -0.120 nan 4.420 nan 0.000 0.271 683 P C -0.439 176.807 177.300 -0.091 0.000 1.228 683 P CA -0.113 62.942 63.100 -0.075 0.000 0.797 683 P CB 0.280 32.028 31.700 0.080 0.000 0.914 684 E N 1.278 121.459 120.200 -0.031 0.000 2.415 684 E HA 0.011 4.369 4.350 0.012 0.000 0.260 684 E C -0.864 175.725 176.600 -0.018 0.000 1.016 684 E CA 0.060 56.442 56.400 -0.029 0.000 0.924 684 E CB -0.078 29.617 29.700 -0.008 0.000 0.961 684 E HN 0.296 nan 8.360 nan 0.000 0.459 685 L N 7.205 128.405 121.223 -0.038 0.000 2.307 685 L HA 0.369 4.716 4.340 0.012 0.000 0.282 685 L C -1.911 174.961 176.870 0.002 0.000 1.051 685 L CA -2.234 52.597 54.840 -0.015 0.000 0.804 685 L CB 1.423 43.455 42.059 -0.046 0.000 1.197 685 L HN 0.509 nan 8.230 nan 0.000 0.431 686 P HA 0.137 nan 4.420 nan 0.000 0.276 686 P C -1.555 175.759 177.300 0.025 0.000 1.235 686 P CA -0.479 62.640 63.100 0.031 0.000 0.772 686 P CB 0.878 32.608 31.700 0.051 0.000 0.871 687 Q N 3.645 123.455 119.800 0.017 0.000 2.333 687 Q HA 0.589 4.936 4.340 0.012 0.000 0.268 687 Q C -2.189 173.821 176.000 0.018 0.000 1.007 687 Q CA -1.345 54.466 55.803 0.013 0.000 0.810 687 Q CB 0.900 29.640 28.738 0.004 0.000 1.264 687 Q HN 0.378 nan 8.270 nan 0.000 0.452 688 P HA 0.327 nan 4.420 nan 0.000 0.295 688 P C -0.320 176.992 177.300 0.020 0.000 1.319 688 P CA -0.738 62.376 63.100 0.023 0.000 0.940 688 P CB 1.708 33.426 31.700 0.030 0.000 1.192 689 E N -0.101 120.110 120.200 0.019 0.000 2.031 689 E HA -0.088 4.269 4.350 0.012 0.000 0.193 689 E C 0.646 177.258 176.600 0.021 0.000 0.994 689 E CA 0.881 57.291 56.400 0.017 0.000 0.800 689 E CB -0.241 29.469 29.700 0.017 0.000 0.752 689 E HN 0.408 nan 8.360 nan 0.000 0.447 690 S N 0.472 116.187 115.700 0.025 0.000 2.642 690 S HA 0.040 4.517 4.470 0.012 0.000 0.308 690 S C -0.012 174.608 174.600 0.034 0.000 1.255 690 S CA -0.128 58.090 58.200 0.030 0.000 1.057 690 S CB 0.206 63.425 63.200 0.032 0.000 0.785 690 S HN 0.311 nan 8.310 nan 0.000 0.500 691 A N 4.118 126.960 122.820 0.037 0.000 2.466 691 A HA 0.633 4.961 4.320 0.012 0.000 0.238 691 A C 0.993 178.608 177.584 0.052 0.000 1.074 691 A CA 0.384 52.446 52.037 0.041 0.000 0.774 691 A CB -0.397 18.630 19.000 0.046 0.000 1.015 691 A HN 1.873 nan 8.150 nan 0.000 0.498 692 G N -0.403 108.428 108.800 0.052 0.000 2.359 692 G HA2 0.467 4.435 3.960 0.012 0.000 0.314 692 G HA3 0.467 4.435 3.960 0.012 0.000 0.314 692 G C -1.191 173.742 174.900 0.055 0.000 1.364 692 G CA -0.203 44.942 45.100 0.075 0.000 0.978 692 G HN 1.179 nan 8.290 nan 0.000 0.615 693 Q N -0.252 119.597 119.800 0.081 0.000 2.293 693 Q HA 0.734 5.082 4.340 0.012 0.000 0.261 693 Q C -0.415 175.622 176.000 0.061 0.000 0.960 693 Q CA -0.641 55.160 55.803 -0.003 0.000 0.882 693 Q CB 1.376 30.061 28.738 -0.088 0.000 1.275 693 Q HN 0.579 nan 8.270 nan 0.000 0.445 694 L N 4.215 125.422 121.223 -0.026 0.000 2.326 694 L HA 0.457 4.804 4.340 0.012 0.000 0.278 694 L C -0.821 176.052 176.870 0.007 0.000 1.092 694 L CA -0.359 54.515 54.840 0.057 0.000 0.810 694 L CB 0.690 42.761 42.059 0.021 0.000 1.153 694 L HN 0.702 nan 8.230 nan 0.000 0.439 695 W N 4.143 125.483 121.300 0.068 0.000 2.785 695 W HA 0.475 5.142 4.660 0.012 0.000 0.333 695 W C -0.800 175.811 176.519 0.154 0.000 1.062 695 W CA -0.537 56.867 57.345 0.099 0.000 1.233 695 W CB 1.801 31.326 29.460 0.109 0.000 1.413 695 W HN 0.132 nan 8.180 nan 0.000 0.489 696 L N 3.491 124.989 121.223 0.457 0.000 2.295 696 L HA 0.749 5.097 4.340 0.012 0.000 0.285 696 L C -0.302 176.863 176.870 0.492 0.000 1.035 696 L CA 0.269 55.362 54.840 0.421 0.000 0.806 696 L CB 1.256 43.517 42.059 0.338 0.000 1.214 696 L HN 0.303 nan 8.230 nan 0.000 0.426 697 T N 5.142 119.935 114.554 0.399 0.000 2.824 697 T HA 0.667 5.024 4.350 0.012 0.000 0.282 697 T C -0.726 174.169 174.700 0.324 0.000 0.993 697 T CA -0.397 61.898 62.100 0.325 0.000 0.967 697 T CB 1.535 70.527 68.868 0.206 0.000 0.960 697 T HN 0.627 nan 8.240 nan 0.000 0.441 698 V N 1.648 121.726 119.914 0.273 0.000 2.864 698 V HA 0.859 4.986 4.120 0.012 0.000 0.314 698 V C -0.825 175.367 176.094 0.163 0.000 1.073 698 V CA -1.182 61.255 62.300 0.228 0.000 0.956 698 V CB 1.985 33.911 31.823 0.172 0.000 1.023 698 V HN 0.834 nan 8.190 nan 0.000 0.435 699 R N 1.907 122.529 120.500 0.203 0.000 2.673 699 R HA 0.750 5.098 4.340 0.012 0.000 0.281 699 R C -1.681 174.766 176.300 0.245 0.000 0.991 699 R CA -0.777 55.465 56.100 0.236 0.000 0.896 699 R CB 2.679 33.081 30.300 0.170 0.000 1.201 699 R HN 0.667 nan 8.270 nan 0.000 0.457 700 V N 3.372 123.455 119.914 0.282 0.000 2.407 700 V HA 0.359 4.487 4.120 0.012 0.000 0.278 700 V C -0.267 175.945 176.094 0.197 0.000 1.037 700 V CA -0.499 61.930 62.300 0.216 0.000 0.900 700 V CB 1.615 33.558 31.823 0.200 0.000 0.983 700 V HN 0.432 nan 8.190 nan 0.000 0.459 701 V N 5.223 125.235 119.914 0.164 0.000 2.604 701 V HA 0.419 4.546 4.120 0.012 0.000 0.305 701 V C -0.317 175.860 176.094 0.139 0.000 1.043 701 V CA -0.791 61.592 62.300 0.139 0.000 0.888 701 V CB 2.034 33.937 31.823 0.134 0.000 0.995 701 V HN 0.876 nan 8.190 nan 0.000 0.429 702 Q N 5.387 125.275 119.800 0.148 0.000 2.360 702 Q HA 0.285 4.633 4.340 0.012 0.000 0.254 702 Q C -1.777 174.266 176.000 0.072 0.000 0.975 702 Q CA -1.786 54.089 55.803 0.120 0.000 0.912 702 Q CB 2.050 30.870 28.738 0.137 0.000 1.212 702 Q HN 0.467 nan 8.270 nan 0.000 0.452 703 P HA -0.147 nan 4.420 nan 0.000 0.217 703 P C -0.513 176.795 177.300 0.014 0.000 1.151 703 P CA 1.093 64.218 63.100 0.041 0.000 0.828 703 P CB 0.378 32.105 31.700 0.044 0.000 0.788 704 N N -0.524 118.175 118.700 -0.002 0.000 2.473 704 N HA 0.443 5.190 4.740 0.012 0.000 0.291 704 N C -0.256 175.208 175.510 -0.076 0.000 1.083 704 N CA -0.688 52.344 53.050 -0.030 0.000 0.951 704 N CB 1.056 39.528 38.487 -0.026 0.000 1.164 704 N HN -0.044 nan 8.380 nan 0.000 0.480 705 A N 0.775 123.544 122.820 -0.085 0.000 2.366 705 A HA 0.476 4.803 4.320 0.012 0.000 0.249 705 A C 0.599 178.064 177.584 -0.198 0.000 1.084 705 A CA -0.043 51.908 52.037 -0.143 0.000 0.794 705 A CB 0.088 19.027 19.000 -0.100 0.000 1.034 705 A HN 0.714 nan 8.150 nan 0.000 0.491 706 T N -3.282 111.076 114.554 -0.327 0.000 2.693 706 T HA 0.626 4.983 4.350 0.012 0.000 0.278 706 T C 0.961 175.506 174.700 -0.259 0.000 0.994 706 T CA 0.096 61.983 62.100 -0.354 0.000 1.033 706 T CB 0.994 69.416 68.868 -0.743 0.000 1.342 706 T HN 1.350 nan 8.240 nan 0.000 0.538 707 A N -0.176 122.566 122.820 -0.129 0.000 2.066 707 A HA 0.135 4.463 4.320 0.012 0.000 0.218 707 A C 1.631 179.322 177.584 0.178 0.000 1.157 707 A CA 1.004 53.069 52.037 0.046 0.000 0.670 707 A CB -0.853 18.207 19.000 0.100 0.000 0.804 707 A HN 0.904 nan 8.150 nan 0.000 0.453 708 W N -0.699 120.663 121.300 0.104 0.000 2.714 708 W HA 0.422 5.090 4.660 0.013 0.000 0.353 708 W C -0.264 176.240 176.519 -0.025 0.000 0.999 708 W CA 0.473 57.871 57.345 0.088 0.000 1.629 708 W CB -0.990 28.518 29.460 0.080 0.000 1.106 708 W HN 0.391 nan 8.180 nan 0.000 0.545 709 S N -0.048 115.260 115.700 -0.654 0.000 2.570 709 S HA 0.466 4.943 4.470 0.012 0.000 0.270 709 S C -1.091 173.290 174.600 -0.364 0.000 1.149 709 S CA -0.754 57.087 58.200 -0.598 0.000 0.837 709 S CB 2.710 65.172 63.200 -1.230 0.000 1.124 709 S HN 0.100 nan 8.310 nan 0.000 0.465 710 E N 0.609 120.708 120.200 -0.168 0.000 2.283 710 E HA 0.612 4.970 4.350 0.012 0.000 0.267 710 E C 0.238 176.809 176.600 -0.049 0.000 1.045 710 E CA -0.844 55.511 56.400 -0.076 0.000 0.884 710 E CB 1.221 30.918 29.700 -0.005 0.000 1.106 710 E HN 0.879 nan 8.360 nan 0.000 0.408 711 A N 0.950 123.748 122.820 -0.037 0.000 2.561 711 A HA 0.354 4.682 4.320 0.012 0.000 0.234 711 A C 1.194 178.790 177.584 0.020 0.000 1.055 711 A CA 0.861 52.889 52.037 -0.015 0.000 0.756 711 A CB -0.543 18.450 19.000 -0.012 0.000 0.986 711 A HN 0.836 nan 8.150 nan 0.000 0.505 712 G N 0.456 109.279 108.800 0.038 0.000 2.195 712 G HA2 -0.254 3.714 3.960 0.012 0.000 0.246 712 G HA3 -0.254 3.714 3.960 0.012 0.000 0.246 712 G C 0.288 175.230 174.900 0.070 0.000 0.984 712 G CA 0.728 45.852 45.100 0.040 0.000 0.633 712 G HN 1.809 nan 8.290 nan 0.000 0.525 713 H N 0.841 119.915 119.070 0.007 0.000 3.064 713 H HA 0.419 4.983 4.556 0.012 0.000 0.329 713 H C 0.706 176.103 175.328 0.115 0.000 1.020 713 H CA 0.523 56.602 56.048 0.051 0.000 1.402 713 H CB 0.154 29.927 29.762 0.018 0.000 1.379 713 H HN 0.320 nan 8.280 nan 0.000 0.594 714 I N 4.480 124.783 120.570 -0.446 0.000 2.331 714 I HA 0.042 4.220 4.170 0.012 0.000 0.292 714 I C 0.845 176.838 176.117 -0.208 0.000 0.998 714 I CA 0.042 61.231 61.300 -0.186 0.000 1.267 714 I CB 1.571 39.526 38.000 -0.075 0.000 1.386 714 I HN 0.796 nan 8.210 nan 0.000 0.476 715 S N 4.046 119.853 115.700 0.178 0.000 2.512 715 S HA 0.588 5.066 4.470 0.012 0.000 0.216 715 S C 0.385 175.251 174.600 0.443 0.000 1.006 715 S CA -0.109 58.331 58.200 0.400 0.000 0.915 715 S CB 0.597 64.150 63.200 0.587 0.000 0.824 715 S HN 0.713 nan 8.310 nan 0.000 0.497 716 A N 0.549 123.658 122.820 0.482 0.000 2.597 716 A HA 0.665 4.992 4.320 0.012 0.000 0.292 716 A C -1.769 176.163 177.584 0.581 0.000 1.057 716 A CA -0.925 51.364 52.037 0.421 0.000 0.674 716 A CB 0.360 19.663 19.000 0.505 0.000 1.278 716 A HN 0.879 nan 8.150 nan 0.000 0.416 717 W N -0.213 121.262 121.300 0.292 0.000 2.988 717 W HA 0.832 5.500 4.660 0.013 0.000 0.355 717 W C -1.107 175.448 176.519 0.060 0.000 1.233 717 W CA -0.646 56.757 57.345 0.096 0.000 1.176 717 W CB 1.143 30.629 29.460 0.043 0.000 1.477 717 W HN 1.088 nan 8.180 nan 0.000 0.582 718 Q N 0.822 120.680 119.800 0.096 0.000 2.594 718 Q HA 0.418 4.766 4.340 0.012 0.000 0.278 718 Q C -1.694 174.161 176.000 -0.242 0.000 0.961 718 Q CA -0.450 55.252 55.803 -0.167 0.000 0.844 718 Q CB 2.181 30.627 28.738 -0.487 0.000 1.475 718 Q HN 0.624 nan 8.270 nan 0.000 0.389 719 Q N 1.207 120.801 119.800 -0.344 0.000 2.456 719 Q HA 0.643 4.991 4.340 0.012 0.000 0.283 719 Q C -1.189 174.701 176.000 -0.183 0.000 1.084 719 Q CA -0.736 55.054 55.803 -0.022 0.000 0.801 719 Q CB 2.492 31.399 28.738 0.283 0.000 1.434 719 Q HN 0.615 nan 8.270 nan 0.000 0.419 720 W N 0.797 122.263 121.300 0.277 0.000 3.127 720 W HA 0.434 5.101 4.660 0.012 0.000 0.330 720 W C -0.419 176.044 176.519 -0.094 0.000 1.187 720 W CA -0.659 56.745 57.345 0.098 0.000 1.198 720 W CB 1.764 31.242 29.460 0.032 0.000 1.408 720 W HN 0.425 nan 8.180 nan 0.000 0.529 721 R N 1.787 122.135 120.500 -0.253 0.000 2.389 721 R HA 0.403 4.750 4.340 0.012 0.000 0.295 721 R C 0.467 176.616 176.300 -0.252 0.000 1.075 721 R CA -0.025 55.662 56.100 -0.687 0.000 1.005 721 R CB 0.957 30.807 30.300 -0.750 0.000 0.987 721 R HN 0.305 nan 8.270 nan 0.000 0.452 722 L N 1.350 122.437 121.223 -0.227 0.000 2.793 722 L HA 0.521 4.869 4.340 0.012 0.000 0.188 722 L C 0.580 177.369 176.870 -0.135 0.000 1.949 722 L CA -1.016 53.753 54.840 -0.118 0.000 2.556 722 L CB -0.083 41.944 42.059 -0.054 0.000 2.898 722 L HN 0.589 nan 8.230 nan 0.000 0.621 723 A N 0.290 123.056 122.820 -0.089 0.000 2.445 723 A HA 0.201 4.529 4.320 0.012 0.000 0.242 723 A C -0.312 177.219 177.584 -0.087 0.000 1.075 723 A CA 0.174 52.164 52.037 -0.078 0.000 0.777 723 A CB 0.147 19.119 19.000 -0.048 0.000 1.013 723 A HN 0.599 nan 8.150 nan 0.000 0.493 724 E N 1.016 121.169 120.200 -0.078 0.000 2.210 724 E HA 0.306 4.663 4.350 0.012 0.000 0.266 724 E C -1.360 175.222 176.600 -0.030 0.000 0.883 724 E CA -0.704 55.657 56.400 -0.066 0.000 0.761 724 E CB 0.794 30.444 29.700 -0.084 0.000 1.156 724 E HN 0.670 nan 8.360 nan 0.000 0.412 725 N N 5.135 123.830 118.700 -0.009 0.000 2.558 725 N HA 0.258 5.005 4.740 0.012 0.000 0.242 725 N C -0.587 174.931 175.510 0.014 0.000 0.979 725 N CA -0.310 52.742 53.050 0.004 0.000 0.931 725 N CB 0.995 39.489 38.487 0.013 0.000 1.122 725 N HN 0.472 nan 8.380 nan 0.000 0.508 726 L N 0.678 121.909 121.223 0.013 0.000 2.456 726 L HA 0.112 4.459 4.340 0.012 0.000 0.272 726 L C 1.283 178.170 176.870 0.030 0.000 1.189 726 L CA 0.086 54.940 54.840 0.023 0.000 0.846 726 L CB 0.502 42.573 42.059 0.021 0.000 1.111 726 L HN 0.343 nan 8.230 nan 0.000 0.475 727 S N 1.545 117.269 115.700 0.040 0.000 2.528 727 S HA 0.241 4.718 4.470 0.012 0.000 0.277 727 S C 0.611 175.232 174.600 0.036 0.000 1.297 727 S CA -0.790 57.434 58.200 0.040 0.000 1.052 727 S CB 0.908 64.137 63.200 0.049 0.000 0.917 727 S HN 0.466 nan 8.310 nan 0.000 0.492 728 V N 2.157 122.090 119.914 0.030 0.000 3.477 728 V HA 0.347 4.474 4.120 0.012 0.000 0.297 728 V C 0.581 176.691 176.094 0.026 0.000 1.433 728 V CA 0.139 62.455 62.300 0.027 0.000 1.052 728 V CB -0.535 31.300 31.823 0.021 0.000 0.895 728 V HN 0.849 nan 8.190 nan 0.000 0.438 729 T N 0.654 115.226 114.554 0.029 0.000 2.743 729 T HA 0.726 5.083 4.350 0.012 0.000 0.293 729 T C -0.310 174.408 174.700 0.031 0.000 0.945 729 T CA -0.456 61.660 62.100 0.028 0.000 1.030 729 T CB 1.379 70.264 68.868 0.027 0.000 0.912 729 T HN 0.213 nan 8.240 nan 0.000 0.483 730 L N 4.404 125.642 121.223 0.026 0.000 2.461 730 L HA 0.379 4.726 4.340 0.012 0.000 0.272 730 L C -1.598 175.289 176.870 0.027 0.000 1.197 730 L CA -1.438 53.417 54.840 0.025 0.000 0.836 730 L CB -0.667 41.403 42.059 0.018 0.000 1.105 730 L HN 0.539 nan 8.230 nan 0.000 0.477 731 P HA 0.299 nan 4.420 nan 0.000 0.276 731 P C -0.594 176.717 177.300 0.019 0.000 1.230 731 P CA -0.531 62.588 63.100 0.032 0.000 0.776 731 P CB 0.905 32.628 31.700 0.039 0.000 0.888 732 A N 2.577 125.410 122.820 0.022 0.000 2.492 732 A HA 0.432 4.759 4.320 0.012 0.000 0.236 732 A C 0.514 178.075 177.584 -0.038 0.000 1.078 732 A CA 0.088 52.129 52.037 0.006 0.000 0.773 732 A CB -0.372 18.647 19.000 0.031 0.000 1.023 732 A HN 0.654 nan 8.150 nan 0.000 0.504 733 A N 1.488 124.259 122.820 -0.082 0.000 2.409 733 A HA 0.523 4.851 4.320 0.012 0.000 0.262 733 A C 0.838 178.188 177.584 -0.391 0.000 1.113 733 A CA 0.278 52.222 52.037 -0.156 0.000 0.790 733 A CB -0.333 18.595 19.000 -0.121 0.000 1.046 733 A HN 1.922 nan 8.150 nan 0.000 0.496 734 S N 2.103 117.589 115.700 -0.358 0.000 2.549 734 S HA 0.231 4.709 4.470 0.012 0.000 0.279 734 S C -0.065 174.225 174.600 -0.516 0.000 1.321 734 S CA -0.271 57.630 58.200 -0.499 0.000 1.054 734 S CB -0.027 63.125 63.200 -0.080 0.000 0.899 734 S HN 0.686 nan 8.310 nan 0.000 0.497 735 H N 1.706 120.790 119.070 0.022 0.000 2.794 735 H HA 0.716 5.280 4.556 0.012 0.000 0.256 735 H C 0.317 175.658 175.328 0.021 0.000 1.637 735 H CA 0.231 56.290 56.048 0.019 0.000 1.222 735 H CB -0.970 28.801 29.762 0.015 0.000 1.545 735 H HN 0.956 nan 8.280 nan 0.000 0.518 736 A N 1.250 124.121 122.820 0.085 0.000 2.571 736 A HA 0.456 4.783 4.320 0.012 0.000 0.296 736 A C -1.805 175.814 177.584 0.060 0.000 1.005 736 A CA -0.817 51.269 52.037 0.082 0.000 0.682 736 A CB 1.071 20.136 19.000 0.107 0.000 1.292 736 A HN 0.290 nan 8.150 nan 0.000 0.420 737 I N 1.113 121.728 120.570 0.075 0.000 2.582 737 I HA 0.754 4.931 4.170 0.012 0.000 0.292 737 I C -3.054 173.138 176.117 0.125 0.000 1.066 737 I CA -2.367 58.981 61.300 0.080 0.000 1.053 737 I CB 1.899 39.941 38.000 0.069 0.000 1.241 737 I HN 0.369 nan 8.210 nan 0.000 0.421 738 P HA 0.354 nan 4.420 nan 0.000 0.274 738 P C -1.163 176.271 177.300 0.223 0.000 1.231 738 P CA 0.146 63.326 63.100 0.133 0.000 0.790 738 P CB 0.400 32.126 31.700 0.045 0.000 0.951 739 H N 0.648 119.750 119.070 0.052 0.000 2.472 739 H HA 0.440 5.004 4.556 0.012 0.000 0.338 739 H C -0.658 174.700 175.328 0.050 0.000 1.133 739 H CA -0.940 55.130 56.048 0.038 0.000 1.216 739 H CB 1.725 31.512 29.762 0.042 0.000 1.497 739 H HN 0.257 nan 8.280 nan 0.000 0.500 740 L N 2.232 123.507 121.223 0.088 0.000 2.317 740 L HA 0.371 4.719 4.340 0.012 0.000 0.281 740 L C -0.612 176.307 176.870 0.082 0.000 1.024 740 L CA -0.061 54.824 54.840 0.075 0.000 0.810 740 L CB 1.856 43.910 42.059 -0.009 0.000 1.240 740 L HN 0.505 nan 8.230 nan 0.000 0.427 741 T N 3.211 117.842 114.554 0.129 0.000 2.841 741 T HA 0.571 4.928 4.350 0.012 0.000 0.285 741 T C -0.579 174.219 174.700 0.164 0.000 0.991 741 T CA -0.364 61.806 62.100 0.117 0.000 0.966 741 T CB 1.372 70.301 68.868 0.101 0.000 0.962 741 T HN 0.715 nan 8.240 nan 0.000 0.438 742 T N 2.639 117.283 114.554 0.150 0.000 2.912 742 T HA 0.815 5.173 4.350 0.012 0.000 0.288 742 T C -0.289 174.449 174.700 0.064 0.000 1.030 742 T CA -0.735 61.472 62.100 0.178 0.000 1.020 742 T CB 1.474 70.473 68.868 0.218 0.000 1.056 742 T HN 0.738 nan 8.240 nan 0.000 0.480 743 S N 0.313 116.007 115.700 -0.011 0.000 2.671 743 S HA 0.446 4.924 4.470 0.012 0.000 0.277 743 S C 0.782 175.321 174.600 -0.101 0.000 1.165 743 S CA -0.913 57.266 58.200 -0.035 0.000 0.822 743 S CB 1.689 64.875 63.200 -0.023 0.000 1.150 743 S HN 0.725 nan 8.310 nan 0.000 0.479 744 E N -0.365 119.789 120.200 -0.077 0.000 2.160 744 E HA -0.131 4.226 4.350 0.012 0.000 0.195 744 E C 1.036 177.549 176.600 -0.144 0.000 0.991 744 E CA 1.350 57.691 56.400 -0.100 0.000 0.810 744 E CB -0.110 29.555 29.700 -0.059 0.000 0.742 744 E HN 0.582 nan 8.360 nan 0.000 0.466 745 M N 0.302 119.832 119.600 -0.116 0.000 2.465 745 M HA 0.164 4.652 4.480 0.012 0.000 0.249 745 M C -0.253 175.969 176.300 -0.130 0.000 1.130 745 M CA 0.530 55.768 55.300 -0.102 0.000 1.067 745 M CB 0.418 32.994 32.600 -0.040 0.000 1.394 745 M HN -0.105 nan 8.290 nan 0.000 0.483 746 D N -1.012 119.284 120.400 -0.173 0.000 2.599 746 D HA 0.406 5.053 4.640 0.012 0.000 0.252 746 D C -1.540 174.656 176.300 -0.172 0.000 1.232 746 D CA -0.321 53.605 54.000 -0.125 0.000 0.819 746 D CB 2.285 43.104 40.800 0.031 0.000 1.401 746 D HN -0.180 nan 8.370 nan 0.000 0.429 747 F N 0.969 121.004 119.950 0.141 0.000 2.460 747 F HA 0.358 4.892 4.527 0.012 0.000 0.341 747 F C -0.042 175.891 175.800 0.221 0.000 1.130 747 F CA -0.796 57.281 58.000 0.128 0.000 0.962 747 F CB 1.171 40.205 39.000 0.057 0.000 1.171 747 F HN 0.135 nan 8.300 nan 0.000 0.436 748 C N 4.983 124.496 119.300 0.356 0.000 2.351 748 C HA 0.806 5.273 4.460 0.012 0.000 0.326 748 C C -0.052 175.111 174.990 0.290 0.000 1.272 748 C CA -0.964 58.240 59.018 0.310 0.000 1.650 748 C CB 0.352 28.204 27.740 0.187 0.000 2.257 748 C HN 0.590 nan 8.230 nan 0.000 0.505 749 I N 2.203 122.993 120.570 0.368 0.000 2.569 749 I HA 0.517 4.695 4.170 0.012 0.000 0.296 749 I C -0.183 176.202 176.117 0.446 0.000 1.028 749 I CA -0.161 61.342 61.300 0.338 0.000 1.082 749 I CB 1.546 39.725 38.000 0.297 0.000 1.264 749 I HN 0.678 nan 8.210 nan 0.000 0.429 750 E N 5.592 125.990 120.200 0.330 0.000 2.248 750 E HA 0.721 5.079 4.350 0.012 0.000 0.267 750 E C -1.882 174.875 176.600 0.262 0.000 0.877 750 E CA -0.825 55.736 56.400 0.268 0.000 0.759 750 E CB 2.317 32.075 29.700 0.098 0.000 1.182 750 E HN 0.535 nan 8.360 nan 0.000 0.418 751 L N 5.154 126.555 121.223 0.297 0.000 2.555 751 L HA 0.524 4.871 4.340 0.012 0.000 0.264 751 L C 0.237 177.189 176.870 0.136 0.000 0.972 751 L CA 0.646 55.624 54.840 0.230 0.000 0.876 751 L CB 1.269 43.525 42.059 0.328 0.000 1.216 751 L HN 0.812 nan 8.230 nan 0.000 0.415 752 G N 4.490 113.319 108.800 0.049 0.000 2.660 752 G HA2 -0.458 3.509 3.960 0.012 0.000 0.321 752 G HA3 -0.458 3.509 3.960 0.012 0.000 0.321 752 G C 0.591 175.483 174.900 -0.012 0.000 1.246 752 G CA 0.750 45.858 45.100 0.013 0.000 1.000 752 G HN 1.250 nan 8.290 nan 0.000 0.550 753 N N 1.571 120.259 118.700 -0.020 0.000 2.370 753 N HA 0.134 4.881 4.740 0.012 0.000 0.198 753 N C 0.448 175.906 175.510 -0.087 0.000 1.156 753 N CA 0.949 53.969 53.050 -0.051 0.000 0.839 753 N CB 0.197 38.656 38.487 -0.047 0.000 0.989 753 N HN 0.741 nan 8.380 nan 0.000 0.468 754 K N 0.002 120.344 120.400 -0.097 0.000 2.267 754 K HA 0.552 4.880 4.320 0.012 0.000 0.246 754 K C -0.463 175.959 176.600 -0.295 0.000 0.954 754 K CA -0.679 55.434 56.287 -0.289 0.000 0.824 754 K CB 2.189 34.437 32.500 -0.420 0.000 1.167 754 K HN -0.032 nan 8.250 nan 0.000 0.431 755 R N 0.843 121.061 120.500 -0.470 0.000 2.698 755 R HA 0.439 4.786 4.340 0.012 0.000 0.275 755 R C -1.300 174.884 176.300 -0.194 0.000 1.001 755 R CA -0.893 55.124 56.100 -0.139 0.000 0.896 755 R CB 1.817 32.080 30.300 -0.061 0.000 1.218 755 R HN 0.536 nan 8.270 nan 0.000 0.462 756 W N 1.656 123.078 121.300 0.204 0.000 2.915 756 W HA 0.371 5.038 4.660 0.012 0.000 0.337 756 W C -0.605 176.023 176.519 0.182 0.000 1.102 756 W CA -0.566 56.850 57.345 0.119 0.000 1.224 756 W CB 2.378 31.892 29.460 0.091 0.000 1.416 756 W HN 0.418 nan 8.180 nan 0.000 0.503 757 Q N 2.245 122.187 119.800 0.237 0.000 2.310 757 Q HA 0.460 4.808 4.340 0.012 0.000 0.270 757 Q C -1.966 174.028 176.000 -0.011 0.000 1.025 757 Q CA -0.453 55.498 55.803 0.246 0.000 0.772 757 Q CB 1.520 30.449 28.738 0.318 0.000 1.253 757 Q HN 0.325 nan 8.270 nan 0.000 0.450 758 F N 2.611 122.655 119.950 0.158 0.000 2.426 758 F HA 0.342 4.876 4.527 0.012 0.000 0.348 758 F C 0.504 176.351 175.800 0.078 0.000 1.124 758 F CA -0.857 57.205 58.000 0.103 0.000 1.008 758 F CB 1.400 40.465 39.000 0.109 0.000 1.139 758 F HN 0.500 nan 8.300 nan 0.000 0.452 759 N N 3.706 122.526 118.700 0.199 0.000 2.442 759 N HA 0.086 4.834 4.740 0.012 0.000 0.265 759 N C 0.871 176.415 175.510 0.056 0.000 1.138 759 N CA -0.014 53.100 53.050 0.108 0.000 0.956 759 N CB 0.745 39.299 38.487 0.112 0.000 1.067 759 N HN 0.702 nan 8.380 nan 0.000 0.474 760 R N 2.313 122.774 120.500 -0.065 0.000 2.236 760 R HA -0.091 4.257 4.340 0.012 0.000 0.208 760 R C 1.693 177.944 176.300 -0.081 0.000 1.036 760 R CA 0.698 56.714 56.100 -0.140 0.000 1.001 760 R CB 0.171 30.259 30.300 -0.354 0.000 0.896 760 R HN 0.682 nan 8.270 nan 0.000 0.464 761 Q N 0.620 120.398 119.800 -0.038 0.000 2.123 761 Q HA -0.079 4.268 4.340 0.012 0.000 0.196 761 Q C 1.923 177.928 176.000 0.008 0.000 0.958 761 Q CA 1.621 57.414 55.803 -0.017 0.000 0.841 761 Q CB 0.249 28.990 28.738 0.005 0.000 0.915 761 Q HN 0.294 nan 8.270 nan 0.000 0.455 762 S N -1.681 114.053 115.700 0.057 0.000 2.439 762 S HA 0.194 4.671 4.470 0.012 0.000 0.224 762 S C 1.452 176.026 174.600 -0.043 0.000 1.029 762 S CA 0.663 58.927 58.200 0.107 0.000 0.946 762 S CB 0.404 63.777 63.200 0.289 0.000 0.797 762 S HN 0.679 nan 8.310 nan 0.000 0.504 763 G N 0.290 109.064 108.800 -0.044 0.000 2.141 763 G HA2 -0.184 3.783 3.960 0.012 0.000 0.242 763 G HA3 -0.184 3.783 3.960 0.012 0.000 0.242 763 G C -0.169 174.651 174.900 -0.133 0.000 0.982 763 G CA 0.249 45.279 45.100 -0.116 0.000 0.662 763 G HN 0.474 nan 8.290 nan 0.000 0.527 764 F N -1.105 119.026 119.950 0.301 0.000 2.575 764 F HA 0.740 5.275 4.527 0.012 0.000 0.330 764 F C 0.395 176.227 175.800 0.052 0.000 1.056 764 F CA -1.671 56.465 58.000 0.227 0.000 0.964 764 F CB 1.230 40.319 39.000 0.148 0.000 1.258 764 F HN 0.021 nan 8.300 nan 0.000 0.484 765 L N 1.694 122.963 121.223 0.077 0.000 2.456 765 L HA 0.211 4.558 4.340 0.012 0.000 0.277 765 L C 0.936 177.701 176.870 -0.175 0.000 1.124 765 L CA 0.505 55.062 54.840 -0.471 0.000 0.880 765 L CB 0.250 41.967 42.059 -0.570 0.000 1.192 765 L HN 0.699 nan 8.230 nan 0.000 0.463 766 S N 2.568 118.167 115.700 -0.168 0.000 2.503 766 S HA 0.276 4.754 4.470 0.012 0.000 0.215 766 S C 0.552 175.036 174.600 -0.194 0.000 1.003 766 S CA -0.117 58.027 58.200 -0.093 0.000 0.910 766 S CB 0.141 63.340 63.200 -0.003 0.000 0.790 766 S HN 0.673 nan 8.310 nan 0.000 0.514 767 Q N -0.224 119.405 119.800 -0.286 0.000 2.578 767 Q HA 0.667 5.015 4.340 0.012 0.000 0.284 767 Q C -2.020 173.641 176.000 -0.565 0.000 0.960 767 Q CA -0.270 55.235 55.803 -0.497 0.000 0.809 767 Q CB 1.698 30.033 28.738 -0.672 0.000 1.462 767 Q HN 0.434 nan 8.270 nan 0.000 0.392 768 M N 1.377 120.524 119.600 -0.756 0.000 2.484 768 M HA 0.585 5.073 4.480 0.012 0.000 0.289 768 M C -1.492 174.407 176.300 -0.668 0.000 1.206 768 M CA -0.435 54.500 55.300 -0.608 0.000 0.892 768 M CB 2.258 34.481 32.600 -0.629 0.000 1.712 768 M HN 0.484 nan 8.290 nan 0.000 0.462 769 W N 3.224 124.290 121.300 -0.389 0.000 2.736 769 W HA 0.667 5.334 4.660 0.012 0.000 0.335 769 W C -1.326 174.994 176.519 -0.330 0.000 1.059 769 W CA -0.651 56.526 57.345 -0.279 0.000 1.226 769 W CB 1.661 30.992 29.460 -0.214 0.000 1.416 769 W HN 0.467 nan 8.180 nan 0.000 0.505 770 I N 2.448 122.999 120.570 -0.031 0.000 2.447 770 I HA 0.471 4.648 4.170 0.012 0.000 0.287 770 I C 0.798 176.894 176.117 -0.036 0.000 1.023 770 I CA 0.123 61.368 61.300 -0.093 0.000 1.083 770 I CB 1.396 39.319 38.000 -0.129 0.000 1.245 770 I HN 0.711 nan 8.210 nan 0.000 0.434 771 G N 5.648 114.422 108.800 -0.043 0.000 2.550 771 G HA2 -0.245 3.723 3.960 0.012 0.000 0.277 771 G HA3 -0.245 3.723 3.960 0.012 0.000 0.277 771 G C 0.075 174.981 174.900 0.010 0.000 1.190 771 G CA 0.256 45.339 45.100 -0.028 0.000 0.971 771 G HN 0.639 nan 8.290 nan 0.000 0.559 772 D N 1.315 121.731 120.400 0.027 0.000 2.593 772 D HA 0.314 4.961 4.640 0.012 0.000 0.241 772 D C 0.014 176.440 176.300 0.210 0.000 1.257 772 D CA 0.057 54.106 54.000 0.080 0.000 0.828 772 D CB 0.584 41.385 40.800 0.001 0.000 1.049 772 D HN 0.269 nan 8.370 nan 0.000 0.490 773 K N 0.968 121.448 120.400 0.133 0.000 2.183 773 K HA 0.305 4.633 4.320 0.012 0.000 0.274 773 K C 0.291 176.865 176.600 -0.043 0.000 1.009 773 K CA -0.484 55.845 56.287 0.069 0.000 0.888 773 K CB 1.666 34.158 32.500 -0.014 0.000 1.078 773 K HN -0.210 nan 8.250 nan 0.000 0.459 774 K N 2.054 122.344 120.400 -0.183 0.000 2.436 774 K HA -0.020 4.307 4.320 0.012 0.000 0.275 774 K C 0.630 177.029 176.600 -0.335 0.000 0.999 774 K CA 0.029 55.984 56.287 -0.552 0.000 0.980 774 K CB 0.485 32.726 32.500 -0.431 0.000 0.919 774 K HN 0.442 nan 8.250 nan 0.000 0.484 775 Q N 1.359 120.931 119.800 -0.379 0.000 2.350 775 Q HA 0.206 4.554 4.340 0.012 0.000 0.225 775 Q C 0.102 176.022 176.000 -0.133 0.000 0.878 775 Q CA 0.448 56.160 55.803 -0.153 0.000 0.935 775 Q CB 0.573 29.259 28.738 -0.087 0.000 1.099 775 Q HN 0.504 nan 8.270 nan 0.000 0.527 776 L N 0.376 121.452 121.223 -0.245 0.000 2.354 776 L HA 0.398 4.746 4.340 0.012 0.000 0.269 776 L C 0.886 177.625 176.870 -0.217 0.000 1.005 776 L CA -0.411 54.309 54.840 -0.199 0.000 0.819 776 L CB 1.750 43.679 42.059 -0.216 0.000 1.311 776 L HN -0.081 nan 8.230 nan 0.000 0.423 777 L N 0.209 121.298 121.223 -0.224 0.000 2.425 777 L HA 0.177 4.524 4.340 0.012 0.000 0.215 777 L C 0.563 177.316 176.870 -0.194 0.000 1.065 777 L CA 0.442 55.156 54.840 -0.210 0.000 0.842 777 L CB 0.390 42.312 42.059 -0.229 0.000 1.033 777 L HN 0.741 nan 8.230 nan 0.000 0.474 778 T N -3.098 111.316 114.554 -0.233 0.000 2.909 778 T HA 0.551 4.908 4.350 0.012 0.000 0.299 778 T C -2.860 171.762 174.700 -0.130 0.000 1.073 778 T CA -2.068 59.942 62.100 -0.150 0.000 0.999 778 T CB 2.181 70.977 68.868 -0.121 0.000 1.098 778 T HN -0.314 nan 8.240 nan 0.000 0.477 779 P HA 0.255 nan 4.420 nan 0.000 0.271 779 P C -0.567 176.682 177.300 -0.085 0.000 1.233 779 P CA -0.764 62.291 63.100 -0.074 0.000 0.789 779 P CB 0.309 31.996 31.700 -0.021 0.000 0.951 780 L N 2.702 123.909 121.223 -0.026 0.000 2.325 780 L HA 0.266 4.613 4.340 0.012 0.000 0.284 780 L C 0.174 176.976 176.870 -0.113 0.000 1.089 780 L CA 0.629 55.488 54.840 0.032 0.000 0.836 780 L CB -0.626 41.562 42.059 0.214 0.000 1.184 780 L HN 0.289 nan 8.230 nan 0.000 0.444 781 R N 2.694 123.036 120.500 -0.262 0.000 2.808 781 R HA 0.452 4.800 4.340 0.012 0.000 0.272 781 R C -1.022 175.141 176.300 -0.227 0.000 0.995 781 R CA -1.055 54.698 56.100 -0.578 0.000 0.917 781 R CB 1.292 31.134 30.300 -0.764 0.000 1.217 781 R HN 0.542 nan 8.270 nan 0.000 0.471 782 D N 1.147 121.484 120.400 -0.106 0.000 2.382 782 D HA 0.047 4.694 4.640 0.012 0.000 0.240 782 D C -0.436 175.501 176.300 -0.606 0.000 1.146 782 D CA 0.371 54.170 54.000 -0.334 0.000 0.897 782 D CB 0.641 41.192 40.800 -0.414 0.000 1.197 782 D HN 0.211 nan 8.370 nan 0.000 0.432 783 Q N 0.916 120.156 119.800 -0.933 0.000 2.285 783 Q HA 0.322 4.669 4.340 0.012 0.000 0.269 783 Q C -1.292 173.977 176.000 -1.218 0.000 1.030 783 Q CA -0.569 54.729 55.803 -0.842 0.000 0.788 783 Q CB 0.752 29.220 28.738 -0.451 0.000 1.266 783 Q HN 0.476 nan 8.270 nan 0.000 0.438 784 F N 0.644 120.208 119.950 -0.643 0.000 2.706 784 F HA 0.198 4.733 4.527 0.012 0.000 0.313 784 F C 0.615 175.966 175.800 -0.748 0.000 1.096 784 F CA 0.037 57.532 58.000 -0.843 0.000 1.219 784 F CB 1.366 39.532 39.000 -1.390 0.000 1.051 784 F HN 0.464 nan 8.300 nan 0.000 0.568 785 T N -0.880 113.363 114.554 -0.518 0.000 2.907 785 T HA 0.791 5.149 4.350 0.012 0.000 0.290 785 T C -0.536 173.909 174.700 -0.426 0.000 1.066 785 T CA -0.989 60.735 62.100 -0.627 0.000 1.012 785 T CB 2.908 71.332 68.868 -0.741 0.000 1.184 785 T HN 0.224 nan 8.240 nan 0.000 0.522 786 R N -0.143 120.147 120.500 -0.350 0.000 2.808 786 R HA 0.770 5.118 4.340 0.012 0.000 0.272 786 R C -0.842 175.509 176.300 0.085 0.000 0.995 786 R CA -1.222 54.810 56.100 -0.113 0.000 0.917 786 R CB 1.545 31.784 30.300 -0.101 0.000 1.217 786 R HN 0.834 nan 8.270 nan 0.000 0.471 787 A N 3.446 126.305 122.820 0.065 0.000 2.484 787 A HA 0.287 4.615 4.320 0.012 0.000 0.268 787 A C -1.992 175.661 177.584 0.114 0.000 1.114 787 A CA -1.301 50.777 52.037 0.068 0.000 0.780 787 A CB -0.456 18.530 19.000 -0.023 0.000 1.061 787 A HN 0.557 nan 8.150 nan 0.000 0.505 788 P HA 0.118 nan 4.420 nan 0.000 0.265 788 P C -0.209 177.204 177.300 0.188 0.000 1.193 788 P CA 0.299 63.559 63.100 0.267 0.000 0.765 788 P CB 0.416 32.307 31.700 0.317 0.000 0.823 789 L N 2.327 123.627 121.223 0.128 0.000 2.466 789 L HA 0.147 4.494 4.340 0.012 0.000 0.257 789 L C 1.840 178.710 176.870 -0.000 0.000 1.189 789 L CA -0.412 54.434 54.840 0.009 0.000 0.813 789 L CB -0.106 41.884 42.059 -0.114 0.000 1.118 789 L HN 0.311 nan 8.230 nan 0.000 0.471 790 D N 0.405 120.739 120.400 -0.111 0.000 2.149 790 D HA -0.158 4.489 4.640 0.012 0.000 0.198 790 D C 1.570 177.779 176.300 -0.153 0.000 0.990 790 D CA 1.382 55.234 54.000 -0.247 0.000 0.839 790 D CB 0.033 40.602 40.800 -0.384 0.000 0.948 790 D HN 0.486 nan 8.370 nan 0.000 0.460 791 N N 0.944 119.577 118.700 -0.112 0.000 2.396 791 N HA -0.095 4.652 4.740 0.012 0.000 0.180 791 N C 1.091 176.607 175.510 0.011 0.000 1.028 791 N CA 0.626 53.642 53.050 -0.057 0.000 0.893 791 N CB -0.057 38.389 38.487 -0.067 0.000 0.967 791 N HN 0.246 nan 8.380 nan 0.000 0.440 792 D N 0.352 120.772 120.400 0.034 0.000 2.234 792 D HA 0.082 4.729 4.640 0.012 0.000 0.205 792 D C 1.953 178.287 176.300 0.057 0.000 0.962 792 D CA 0.323 54.377 54.000 0.090 0.000 0.855 792 D CB 0.264 41.190 40.800 0.210 0.000 0.951 792 D HN 0.298 nan 8.370 nan 0.000 0.500 793 I N 0.199 120.786 120.570 0.028 0.000 2.585 793 I HA 0.060 4.238 4.170 0.012 0.000 0.254 793 I C 1.798 177.920 176.117 0.009 0.000 1.129 793 I CA 0.566 61.870 61.300 0.006 0.000 1.455 793 I CB -0.253 37.719 38.000 -0.047 0.000 1.111 793 I HN 0.041 nan 8.210 nan 0.000 0.433 794 G N 1.471 110.287 108.800 0.026 0.000 2.611 794 G HA2 -0.370 3.598 3.960 0.012 0.000 0.301 794 G HA3 -0.370 3.598 3.960 0.012 0.000 0.301 794 G C 0.793 175.828 174.900 0.226 0.000 1.233 794 G CA 0.975 46.153 45.100 0.130 0.000 0.993 794 G HN 0.511 nan 8.290 nan 0.000 0.553 795 V N -1.658 118.348 119.914 0.154 0.000 3.623 795 V HA 0.548 4.676 4.120 0.012 0.000 0.271 795 V C 1.368 177.479 176.094 0.027 0.000 1.248 795 V CA 1.427 63.773 62.300 0.077 0.000 1.156 795 V CB -0.080 31.700 31.823 -0.071 0.000 0.870 795 V HN 1.202 nan 8.190 nan 0.000 0.453 796 S N 0.933 116.645 115.700 0.021 0.000 2.562 796 S HA 0.316 4.793 4.470 0.012 0.000 0.281 796 S C -0.099 174.504 174.600 0.004 0.000 1.333 796 S CA 0.030 58.228 58.200 -0.004 0.000 1.052 796 S CB 0.338 63.530 63.200 -0.012 0.000 0.884 796 S HN 0.818 nan 8.310 nan 0.000 0.506 797 E N 1.136 121.335 120.200 -0.002 0.000 2.408 797 E HA 0.554 4.911 4.350 0.012 0.000 0.275 797 E C 0.432 177.036 176.600 0.008 0.000 0.935 797 E CA -0.520 55.885 56.400 0.008 0.000 0.775 797 E CB 1.516 31.220 29.700 0.006 0.000 1.277 797 E HN 0.599 nan 8.360 nan 0.000 0.455 798 A N 0.752 123.583 122.820 0.018 0.000 1.940 798 A HA -0.172 4.156 4.320 0.012 0.000 0.219 798 A C 1.974 179.565 177.584 0.011 0.000 1.176 798 A CA 2.376 54.423 52.037 0.017 0.000 0.631 798 A CB -0.729 18.286 19.000 0.026 0.000 0.814 798 A HN 0.612 nan 8.150 nan 0.000 0.446 799 T N -2.893 111.667 114.554 0.009 0.000 3.113 799 T HA 0.079 4.436 4.350 0.012 0.000 0.256 799 T C 0.793 175.488 174.700 -0.008 0.000 1.131 799 T CA 0.768 62.870 62.100 0.003 0.000 1.074 799 T CB -0.184 68.686 68.868 0.004 0.000 0.944 799 T HN 0.401 nan 8.240 nan 0.000 0.516 800 R N 0.871 121.364 120.500 -0.013 0.000 3.101 800 R HA 0.307 4.654 4.340 0.012 0.000 0.242 800 R C -1.342 174.942 176.300 -0.026 0.000 1.831 800 R CA -0.646 55.440 56.100 -0.025 0.000 1.321 800 R CB 0.052 30.331 30.300 -0.035 0.000 1.512 800 R HN 0.184 nan 8.270 nan 0.000 0.568 801 I N 2.012 122.569 120.570 -0.022 0.000 2.648 801 I HA 0.007 4.184 4.170 0.012 0.000 0.284 801 I C 0.372 176.466 176.117 -0.038 0.000 1.153 801 I CA 0.108 61.393 61.300 -0.025 0.000 1.426 801 I CB 0.845 38.834 38.000 -0.018 0.000 1.381 801 I HN 0.501 nan 8.210 nan 0.000 0.571 802 D N 9.091 129.464 120.400 -0.044 0.000 2.454 802 D HA 0.278 4.925 4.640 0.012 0.000 0.225 802 D C -1.671 174.580 176.300 -0.081 0.000 1.081 802 D CA -2.187 51.777 54.000 -0.061 0.000 0.864 802 D CB 1.478 42.243 40.800 -0.059 0.000 1.040 802 D HN 0.217 nan 8.370 nan 0.000 0.517 803 P HA -0.120 nan 4.420 nan 0.000 0.225 803 P C 0.802 178.007 177.300 -0.158 0.000 1.148 803 P CA 0.618 63.657 63.100 -0.101 0.000 0.779 803 P CB 0.447 32.098 31.700 -0.082 0.000 0.780 804 N N 0.108 118.706 118.700 -0.170 0.000 2.424 804 N HA 0.048 4.795 4.740 0.012 0.000 0.178 804 N C 0.507 175.816 175.510 -0.334 0.000 1.060 804 N CA 0.075 52.978 53.050 -0.244 0.000 0.901 804 N CB -0.436 37.935 38.487 -0.193 0.000 0.979 804 N HN -0.033 nan 8.380 nan 0.000 0.451 805 A N -0.451 122.221 122.820 -0.247 0.000 2.483 805 A HA 0.088 4.416 4.320 0.012 0.000 0.238 805 A C 0.712 178.080 177.584 -0.360 0.000 1.070 805 A CA -0.344 51.541 52.037 -0.253 0.000 0.770 805 A CB -0.189 18.738 19.000 -0.122 0.000 1.008 805 A HN 0.529 nan 8.150 nan 0.000 0.497 806 W N 1.643 122.687 121.300 -0.426 0.000 2.318 806 W HA -0.205 4.462 4.660 0.012 0.000 0.313 806 W C 2.252 178.178 176.519 -0.988 0.000 1.221 806 W CA 1.799 58.625 57.345 -0.865 0.000 1.266 806 W CB -0.411 28.399 29.460 -1.083 0.000 1.150 806 W HN 0.566 nan 8.180 nan 0.000 0.496 807 V N 0.955 120.725 119.914 -0.239 0.000 2.380 807 V HA -0.283 3.844 4.120 0.012 0.000 0.251 807 V C 2.078 178.250 176.094 0.131 0.000 1.063 807 V CA 2.220 64.594 62.300 0.124 0.000 1.055 807 V CB -0.340 31.605 31.823 0.204 0.000 0.657 807 V HN 0.131 nan 8.190 nan 0.000 0.455 808 E N -0.251 119.931 120.200 -0.029 0.000 2.158 808 E HA -0.124 4.234 4.350 0.012 0.000 0.191 808 E C 2.332 178.896 176.600 -0.059 0.000 0.982 808 E CA 0.793 57.179 56.400 -0.023 0.000 0.823 808 E CB -0.226 29.436 29.700 -0.063 0.000 0.766 808 E HN 0.631 nan 8.360 nan 0.000 0.468 809 R N -0.065 120.324 120.500 -0.185 0.000 2.075 809 R HA -0.095 4.253 4.340 0.012 0.000 0.232 809 R C 2.266 178.511 176.300 -0.092 0.000 1.126 809 R CA 1.195 57.171 56.100 -0.207 0.000 0.963 809 R CB -0.150 29.913 30.300 -0.394 0.000 0.858 809 R HN 0.221 nan 8.270 nan 0.000 0.435 810 W N 1.648 122.914 121.300 -0.056 0.000 2.355 810 W HA -0.077 4.590 4.660 0.013 0.000 0.309 810 W C 1.953 178.434 176.519 -0.063 0.000 1.206 810 W CA 0.699 57.895 57.345 -0.250 0.000 1.284 810 W CB -0.744 28.721 29.460 0.008 0.000 1.145 810 W HN 0.096 nan 8.180 nan 0.000 0.502 811 K N 0.215 120.847 120.400 0.386 0.000 2.001 811 K HA -0.151 4.176 4.320 0.012 0.000 0.214 811 K C 2.272 178.936 176.600 0.107 0.000 1.050 811 K CA 2.123 58.585 56.287 0.292 0.000 0.934 811 K CB -0.748 31.862 32.500 0.185 0.000 0.718 811 K HN -0.001 nan 8.250 nan 0.000 0.443 812 A N 1.155 124.005 122.820 0.050 0.000 1.972 812 A HA -0.094 4.234 4.320 0.012 0.000 0.219 812 A C 2.233 179.812 177.584 -0.009 0.000 1.169 812 A CA 1.790 53.838 52.037 0.020 0.000 0.635 812 A CB -0.587 18.414 19.000 0.003 0.000 0.810 812 A HN 0.369 nan 8.150 nan 0.000 0.446 813 A N -1.935 120.857 122.820 -0.047 0.000 2.167 813 A HA 0.383 4.710 4.320 0.012 0.000 0.214 813 A C 1.873 179.382 177.584 -0.125 0.000 1.151 813 A CA 1.320 53.335 52.037 -0.036 0.000 0.735 813 A CB -0.830 18.126 19.000 -0.074 0.000 0.802 813 A HN 1.884 nan 8.150 nan 0.000 0.467 814 G N -1.762 106.867 108.800 -0.285 0.000 2.141 814 G HA2 -0.296 3.672 3.960 0.012 0.000 0.242 814 G HA3 -0.296 3.672 3.960 0.012 0.000 0.242 814 G C 0.596 175.499 174.900 0.004 0.000 0.982 814 G CA 0.642 45.377 45.100 -0.607 0.000 0.662 814 G HN 0.737 nan 8.290 nan 0.000 0.527 815 H N -1.449 117.609 119.070 -0.019 0.000 2.387 815 H HA -0.116 4.447 4.556 0.012 0.000 0.299 815 H C 2.127 177.445 175.328 -0.017 0.000 1.099 815 H CA 1.659 57.717 56.048 0.016 0.000 1.315 815 H CB 0.076 29.780 29.762 -0.096 0.000 1.380 815 H HN 0.573 nan 8.280 nan 0.000 0.513 816 Y N 0.944 121.377 120.300 0.223 0.000 2.544 816 Y HA -0.075 4.482 4.550 0.012 0.000 0.286 816 Y C 2.211 178.200 175.900 0.149 0.000 1.141 816 Y CA 0.579 58.769 58.100 0.151 0.000 1.299 816 Y CB 0.346 38.877 38.460 0.119 0.000 1.030 816 Y HN 0.375 nan 8.280 nan 0.000 0.543 817 Q N -0.591 119.380 119.800 0.285 0.000 2.189 817 Q HA 0.386 4.734 4.340 0.012 0.000 0.223 817 Q C 0.469 176.661 176.000 0.321 0.000 0.828 817 Q CA -0.014 55.954 55.803 0.275 0.000 0.967 817 Q CB 0.237 29.126 28.738 0.251 0.000 1.139 817 Q HN 0.168 nan 8.270 nan 0.000 0.497 818 A N 1.949 124.983 122.820 0.358 0.000 2.511 818 A HA 0.125 4.452 4.320 0.012 0.000 0.242 818 A C -0.067 177.799 177.584 0.470 0.000 1.069 818 A CA 0.137 52.440 52.037 0.445 0.000 0.763 818 A CB 0.241 19.547 19.000 0.510 0.000 1.001 818 A HN 0.281 nan 8.150 nan 0.000 0.498 819 E N 1.151 121.531 120.200 0.300 0.000 2.166 819 E HA 0.447 4.805 4.350 0.012 0.000 0.275 819 E C -0.134 176.386 176.600 -0.132 0.000 0.941 819 E CA -0.462 56.033 56.400 0.159 0.000 0.784 819 E CB 1.859 31.626 29.700 0.112 0.000 1.115 819 E HN 0.757 nan 8.360 nan 0.000 0.399 820 A N 2.373 125.014 122.820 -0.298 0.000 2.492 820 A HA 0.406 4.734 4.320 0.012 0.000 0.254 820 A C 0.020 177.444 177.584 -0.267 0.000 1.091 820 A CA 0.002 51.582 52.037 -0.762 0.000 0.768 820 A CB 0.152 18.824 19.000 -0.546 0.000 1.028 820 A HN 0.587 nan 8.150 nan 0.000 0.498 821 A N 2.868 125.537 122.820 -0.251 0.000 2.288 821 A HA 0.580 4.907 4.320 0.012 0.000 0.320 821 A C -0.324 177.204 177.584 -0.094 0.000 1.217 821 A CA -0.584 51.394 52.037 -0.098 0.000 0.840 821 A CB 0.484 19.438 19.000 -0.075 0.000 1.179 821 A HN 1.221 nan 8.150 nan 0.000 0.504 822 L N 3.068 124.226 121.223 -0.108 0.000 2.410 822 L HA 0.312 4.660 4.340 0.012 0.000 0.273 822 L C 0.446 177.188 176.870 -0.213 0.000 1.144 822 L CA 0.385 55.054 54.840 -0.285 0.000 0.863 822 L CB 0.297 42.201 42.059 -0.259 0.000 1.140 822 L HN 0.770 nan 8.230 nan 0.000 0.463 823 L N 3.291 124.363 121.223 -0.252 0.000 2.537 823 L HA 0.342 4.689 4.340 0.012 0.000 0.224 823 L C 0.443 177.245 176.870 -0.114 0.000 1.065 823 L CA 0.030 54.793 54.840 -0.129 0.000 0.860 823 L CB 0.053 42.072 42.059 -0.068 0.000 1.086 823 L HN 0.713 nan 8.230 nan 0.000 0.482 824 Q N -0.341 119.364 119.800 -0.158 0.000 2.438 824 Q HA 0.353 4.701 4.340 0.012 0.000 0.272 824 Q C -2.095 173.850 176.000 -0.092 0.000 0.994 824 Q CA -0.535 55.216 55.803 -0.087 0.000 0.887 824 Q CB 3.075 31.785 28.738 -0.046 0.000 1.432 824 Q HN 0.067 nan 8.270 nan 0.000 0.392 825 C N 3.087 122.378 119.300 -0.014 0.000 2.727 825 C HA 0.787 5.254 4.460 0.012 0.000 0.369 825 C C -0.867 174.233 174.990 0.183 0.000 1.067 825 C CA 0.418 59.474 59.018 0.063 0.000 1.273 825 C CB 0.551 28.322 27.740 0.052 0.000 1.778 825 C HN 0.844 nan 8.230 nan 0.000 0.467 826 T N 2.475 117.079 114.554 0.084 0.000 2.901 826 T HA 0.925 5.283 4.350 0.012 0.000 0.293 826 T C -0.525 173.933 174.700 -0.403 0.000 1.084 826 T CA -0.296 61.790 62.100 -0.023 0.000 1.008 826 T CB 1.941 70.780 68.868 -0.048 0.000 1.170 826 T HN 1.782 nan 8.240 nan 0.000 0.509 827 A N 1.108 123.489 122.820 -0.731 0.000 2.422 827 A HA 0.753 5.080 4.320 0.012 0.000 0.302 827 A C -1.381 175.922 177.584 -0.468 0.000 1.041 827 A CA -0.760 50.751 52.037 -0.877 0.000 0.708 827 A CB 1.340 19.336 19.000 -1.673 0.000 1.257 827 A HN 0.871 nan 8.150 nan 0.000 0.414 828 D N 0.987 121.191 120.400 -0.327 0.000 2.819 828 D HA 0.426 5.073 4.640 0.012 0.000 0.232 828 D C -1.066 175.130 176.300 -0.174 0.000 1.160 828 D CA -0.084 53.795 54.000 -0.202 0.000 0.858 828 D CB 2.359 43.074 40.800 -0.143 0.000 1.610 828 D HN 0.370 nan 8.370 nan 0.000 0.481 829 T N 2.171 116.646 114.554 -0.131 0.000 2.743 829 T HA 0.398 4.755 4.350 0.012 0.000 0.292 829 T C 0.676 175.329 174.700 -0.080 0.000 0.972 829 T CA -0.357 61.681 62.100 -0.104 0.000 0.967 829 T CB 0.450 69.263 68.868 -0.092 0.000 0.926 829 T HN 0.098 nan 8.240 nan 0.000 0.459 830 L N 1.808 122.988 121.223 -0.071 0.000 2.635 830 L HA 0.588 4.936 4.340 0.012 0.000 0.250 830 L C 2.183 179.029 176.870 -0.040 0.000 1.117 830 L CA -1.082 53.726 54.840 -0.054 0.000 0.834 830 L CB -0.093 41.936 42.059 -0.051 0.000 1.544 830 L HN 0.616 nan 8.230 nan 0.000 0.511 831 A N 0.638 123.439 122.820 -0.032 0.000 1.865 831 A HA -0.186 4.141 4.320 0.012 0.000 0.217 831 A C 1.181 178.753 177.584 -0.019 0.000 1.191 831 A CA 2.210 54.233 52.037 -0.024 0.000 0.623 831 A CB -0.567 18.421 19.000 -0.020 0.000 0.826 831 A HN 0.915 nan 8.150 nan 0.000 0.444 832 D N -2.443 117.944 120.400 -0.021 0.000 2.599 832 D HA 0.565 5.212 4.640 0.012 0.000 0.249 832 D C -0.081 176.206 176.300 -0.021 0.000 1.313 832 D CA 0.659 54.650 54.000 -0.016 0.000 0.815 832 D CB -0.157 40.631 40.800 -0.019 0.000 1.077 832 D HN 0.536 nan 8.370 nan 0.000 0.492 833 A N -0.592 122.207 122.820 -0.035 0.000 2.564 833 A HA 0.621 4.948 4.320 0.012 0.000 0.291 833 A C -1.751 175.786 177.584 -0.078 0.000 1.102 833 A CA -0.695 51.307 52.037 -0.058 0.000 0.660 833 A CB 1.553 20.515 19.000 -0.063 0.000 1.283 833 A HN 0.006 nan 8.150 nan 0.000 0.430 834 V N 0.638 120.482 119.914 -0.115 0.000 2.555 834 V HA 0.634 4.761 4.120 0.012 0.000 0.302 834 V C -0.888 175.100 176.094 -0.177 0.000 1.038 834 V CA -0.444 61.769 62.300 -0.145 0.000 0.887 834 V CB 1.410 33.145 31.823 -0.148 0.000 0.991 834 V HN 0.876 nan 8.190 nan 0.000 0.434 835 L N 6.323 127.432 121.223 -0.190 0.000 2.333 835 L HA 0.659 5.006 4.340 0.012 0.000 0.280 835 L C -0.883 175.831 176.870 -0.261 0.000 1.004 835 L CA 0.037 54.771 54.840 -0.177 0.000 0.820 835 L CB 1.247 43.233 42.059 -0.122 0.000 1.247 835 L HN 0.412 nan 8.230 nan 0.000 0.416 836 I N 4.079 124.487 120.570 -0.271 0.000 2.404 836 I HA 0.443 4.620 4.170 0.012 0.000 0.293 836 I C -0.153 175.911 176.117 -0.090 0.000 0.992 836 I CA -0.265 60.816 61.300 -0.364 0.000 1.149 836 I CB 1.657 39.180 38.000 -0.795 0.000 1.315 836 I HN 0.578 nan 8.210 nan 0.000 0.446 837 T N 4.652 119.161 114.554 -0.075 0.000 2.824 837 T HA 0.654 5.012 4.350 0.012 0.000 0.282 837 T C 0.139 174.873 174.700 0.056 0.000 0.993 837 T CA -0.548 61.564 62.100 0.019 0.000 0.967 837 T CB 1.883 70.738 68.868 -0.021 0.000 0.960 837 T HN 0.780 nan 8.240 nan 0.000 0.441 838 T N -0.566 114.062 114.554 0.123 0.000 2.901 838 T HA 0.891 5.248 4.350 0.012 0.000 0.293 838 T C -1.169 173.575 174.700 0.073 0.000 1.084 838 T CA -1.065 61.084 62.100 0.082 0.000 1.008 838 T CB 2.032 71.015 68.868 0.192 0.000 1.170 838 T HN 0.816 nan 8.240 nan 0.000 0.509 839 A N 1.205 123.998 122.820 -0.045 0.000 2.488 839 A HA 0.784 5.112 4.320 0.012 0.000 0.298 839 A C -1.505 175.986 177.584 -0.155 0.000 1.044 839 A CA -0.775 51.281 52.037 0.031 0.000 0.693 839 A CB 1.003 20.022 19.000 0.033 0.000 1.272 839 A HN 1.021 nan 8.150 nan 0.000 0.402 840 H N -0.252 118.869 119.070 0.085 0.000 2.895 840 H HA 0.779 5.342 4.556 0.012 0.000 0.373 840 H C -0.114 175.225 175.328 0.018 0.000 1.174 840 H CA 0.304 56.320 56.048 -0.054 0.000 1.144 840 H CB 2.162 31.799 29.762 -0.209 0.000 1.793 840 H HN 1.036 nan 8.280 nan 0.000 0.551 841 A N 1.615 124.444 122.820 0.015 0.000 2.365 841 A HA 0.479 4.806 4.320 0.012 0.000 0.318 841 A C -1.402 176.147 177.584 -0.059 0.000 1.091 841 A CA -0.694 51.411 52.037 0.113 0.000 0.763 841 A CB 1.234 20.283 19.000 0.082 0.000 1.248 841 A HN 0.565 nan 8.150 nan 0.000 0.442 842 W N 1.737 123.141 121.300 0.174 0.000 2.376 842 W HA 0.470 5.137 4.660 0.013 0.000 0.312 842 W C -0.434 176.112 176.519 0.045 0.000 1.060 842 W CA -0.090 57.357 57.345 0.169 0.000 1.221 842 W CB 1.814 31.433 29.460 0.265 0.000 1.281 842 W HN 0.802 nan 8.180 nan 0.000 0.456 843 Q N 1.340 121.266 119.800 0.210 0.000 2.484 843 Q HA 0.432 4.779 4.340 0.012 0.000 0.285 843 Q C -0.997 175.137 176.000 0.224 0.000 1.097 843 Q CA -0.899 54.993 55.803 0.148 0.000 0.802 843 Q CB 3.645 32.430 28.738 0.078 0.000 1.444 843 Q HN 0.374 nan 8.270 nan 0.000 0.429 844 H N 1.331 120.438 119.070 0.061 0.000 3.096 844 H HA 0.090 4.654 4.556 0.012 0.000 0.335 844 H C -0.908 174.453 175.328 0.055 0.000 0.990 844 H CA -0.069 56.025 56.048 0.077 0.000 1.393 844 H CB 1.018 30.838 29.762 0.098 0.000 1.742 844 H HN 0.820 nan 8.280 nan 0.000 0.501 845 Q N 3.222 122.785 119.800 -0.395 0.000 2.453 845 Q HA -0.244 4.103 4.340 0.012 0.000 0.294 845 Q C 0.899 176.848 176.000 -0.085 0.000 1.295 845 Q CA 1.096 56.742 55.803 -0.261 0.000 0.853 845 Q CB -1.486 27.040 28.738 -0.353 0.000 1.193 845 Q HN 1.180 nan 8.270 nan 0.000 0.461 846 G N -0.381 108.392 108.800 -0.044 0.000 2.217 846 G HA2 -0.352 3.615 3.960 0.012 0.000 0.246 846 G HA3 -0.352 3.615 3.960 0.012 0.000 0.246 846 G C 0.056 174.963 174.900 0.012 0.000 0.990 846 G CA 0.533 45.627 45.100 -0.010 0.000 0.627 846 G HN 0.342 nan 8.290 nan 0.000 0.522 847 K N 1.561 121.979 120.400 0.030 0.000 2.185 847 K HA 0.658 4.986 4.320 0.012 0.000 0.269 847 K C -0.120 176.498 176.600 0.030 0.000 0.987 847 K CA -0.122 56.186 56.287 0.036 0.000 0.865 847 K CB 1.043 33.578 32.500 0.059 0.000 1.090 847 K HN -0.009 nan 8.250 nan 0.000 0.450 848 T N 6.125 120.685 114.554 0.010 0.000 2.727 848 T HA 0.240 4.598 4.350 0.012 0.000 0.298 848 T C 1.013 175.661 174.700 -0.087 0.000 0.942 848 T CA -0.392 61.709 62.100 0.002 0.000 0.997 848 T CB 0.329 69.215 68.868 0.029 0.000 0.917 848 T HN 0.550 nan 8.240 nan 0.000 0.487 849 L N 2.494 123.584 121.223 -0.222 0.000 2.145 849 L HA 0.329 4.676 4.340 0.012 0.000 0.201 849 L C -0.208 176.182 176.870 -0.801 0.000 1.075 849 L CA 0.862 55.302 54.840 -0.666 0.000 0.773 849 L CB 0.087 41.358 42.059 -1.312 0.000 0.936 849 L HN 0.483 nan 8.230 nan 0.000 0.451 850 F N -1.063 118.846 119.950 -0.069 0.000 2.588 850 F HA 0.562 5.096 4.527 0.012 0.000 0.310 850 F C -0.425 175.456 175.800 0.134 0.000 1.082 850 F CA -1.033 56.855 58.000 -0.186 0.000 0.929 850 F CB 1.488 39.952 39.000 -0.894 0.000 1.254 850 F HN -0.308 nan 8.300 nan 0.000 0.455 851 I N 1.350 122.124 120.570 0.340 0.000 2.465 851 I HA 0.453 4.630 4.170 0.012 0.000 0.291 851 I C -0.689 175.688 176.117 0.434 0.000 1.014 851 I CA -0.635 60.900 61.300 0.392 0.000 1.093 851 I CB 2.238 40.384 38.000 0.243 0.000 1.267 851 I HN 0.559 nan 8.210 nan 0.000 0.431 852 S N 6.657 122.710 115.700 0.588 0.000 2.596 852 S HA 0.571 5.048 4.470 0.012 0.000 0.318 852 S C -0.725 174.112 174.600 0.395 0.000 1.097 852 S CA -0.696 57.823 58.200 0.532 0.000 1.080 852 S CB 0.593 64.221 63.200 0.714 0.000 0.991 852 S HN 0.558 nan 8.310 nan 0.000 0.471 853 R N 3.524 124.178 120.500 0.258 0.000 2.437 853 R HA 0.592 4.939 4.340 0.012 0.000 0.310 853 R C -0.701 175.669 176.300 0.116 0.000 0.955 853 R CA -0.779 55.428 56.100 0.178 0.000 0.851 853 R CB 1.853 32.231 30.300 0.131 0.000 1.161 853 R HN 0.553 nan 8.270 nan 0.000 0.446 854 K N 0.674 121.135 120.400 0.102 0.000 2.466 854 K HA 0.495 4.823 4.320 0.012 0.000 0.260 854 K C -0.818 175.763 176.600 -0.033 0.000 1.011 854 K CA -0.947 55.329 56.287 -0.018 0.000 0.871 854 K CB 2.518 34.973 32.500 -0.075 0.000 1.404 854 K HN 0.636 nan 8.250 nan 0.000 0.450 855 T N -1.571 112.895 114.554 -0.146 0.000 2.900 855 T HA 0.560 4.918 4.350 0.012 0.000 0.295 855 T C -1.297 173.282 174.700 -0.202 0.000 1.044 855 T CA -0.766 61.290 62.100 -0.073 0.000 0.995 855 T CB 0.593 69.440 68.868 -0.034 0.000 1.072 855 T HN 0.393 nan 8.240 nan 0.000 0.473 856 Y N 0.723 120.995 120.300 -0.046 0.000 2.331 856 Y HA 0.610 5.167 4.550 0.012 0.000 0.334 856 Y C 0.462 176.298 175.900 -0.108 0.000 0.960 856 Y CA -1.068 57.020 58.100 -0.019 0.000 1.130 856 Y CB 1.812 40.295 38.460 0.039 0.000 1.164 856 Y HN 0.661 nan 8.280 nan 0.000 0.458 857 R N 4.810 125.338 120.500 0.048 0.000 2.360 857 R HA 0.617 4.965 4.340 0.012 0.000 0.318 857 R C -1.604 174.645 176.300 -0.085 0.000 0.950 857 R CA -0.390 55.688 56.100 -0.037 0.000 0.837 857 R CB 0.568 30.853 30.300 -0.025 0.000 1.165 857 R HN 0.794 nan 8.270 nan 0.000 0.458 858 I N 5.314 125.773 120.570 -0.186 0.000 2.330 858 I HA 0.182 4.359 4.170 0.012 0.000 0.289 858 I C -0.245 175.749 176.117 -0.205 0.000 1.001 858 I CA -0.763 60.344 61.300 -0.322 0.000 1.193 858 I CB 1.412 39.011 38.000 -0.668 0.000 1.345 858 I HN 0.697 nan 8.210 nan 0.000 0.461 859 D N 4.329 124.655 120.400 -0.124 0.000 2.494 859 D HA 0.244 4.892 4.640 0.012 0.000 0.259 859 D C 1.226 177.519 176.300 -0.011 0.000 1.109 859 D CA -0.755 53.213 54.000 -0.053 0.000 1.040 859 D CB 0.988 41.777 40.800 -0.019 0.000 1.175 859 D HN 0.465 nan 8.370 nan 0.000 0.584 860 G N -1.425 107.382 108.800 0.012 0.000 2.708 860 G HA2 -0.114 3.853 3.960 0.012 0.000 0.210 860 G HA3 -0.114 3.853 3.960 0.012 0.000 0.210 860 G C 0.989 175.937 174.900 0.081 0.000 1.141 860 G CA 0.853 45.981 45.100 0.047 0.000 0.788 860 G HN 0.512 nan 8.290 nan 0.000 0.531 861 S N -1.277 114.469 115.700 0.076 0.000 2.575 861 S HA 0.387 4.864 4.470 0.012 0.000 0.215 861 S C 1.760 176.443 174.600 0.139 0.000 0.966 861 S CA 0.806 59.071 58.200 0.109 0.000 0.911 861 S CB 0.208 63.464 63.200 0.093 0.000 0.780 861 S HN 1.335 nan 8.310 nan 0.000 0.514 862 G N 0.764 109.657 108.800 0.156 0.000 2.157 862 G HA2 -0.228 3.739 3.960 0.012 0.000 0.248 862 G HA3 -0.228 3.739 3.960 0.012 0.000 0.248 862 G C -0.206 174.863 174.900 0.281 0.000 0.979 862 G CA -0.043 45.226 45.100 0.282 0.000 0.650 862 G HN 0.587 nan 8.290 nan 0.000 0.529 863 Q N -0.459 119.436 119.800 0.159 0.000 2.230 863 Q HA 0.651 4.998 4.340 0.012 0.000 0.248 863 Q C 0.184 176.241 176.000 0.095 0.000 0.915 863 Q CA -0.331 55.572 55.803 0.166 0.000 0.900 863 Q CB 1.608 30.426 28.738 0.133 0.000 1.229 863 Q HN 0.446 nan 8.270 nan 0.000 0.439 864 M N 1.824 121.521 119.600 0.161 0.000 2.078 864 M HA 0.508 4.995 4.480 0.012 0.000 0.320 864 M C -1.438 174.972 176.300 0.184 0.000 0.969 864 M CA -0.493 54.862 55.300 0.092 0.000 0.929 864 M CB 1.069 33.748 32.600 0.130 0.000 1.504 864 M HN 0.691 nan 8.290 nan 0.000 0.419 865 A N 6.938 129.828 122.820 0.116 0.000 2.276 865 A HA 0.669 4.996 4.320 0.012 0.000 0.300 865 A C -0.752 176.877 177.584 0.075 0.000 1.235 865 A CA -0.569 51.535 52.037 0.112 0.000 0.867 865 A CB 0.077 19.121 19.000 0.072 0.000 1.137 865 A HN 0.924 nan 8.150 nan 0.000 0.527 866 I N 2.424 123.029 120.570 0.059 0.000 2.378 866 I HA 0.314 4.492 4.170 0.012 0.000 0.291 866 I C -0.137 175.885 176.117 -0.159 0.000 0.992 866 I CA -0.229 61.006 61.300 -0.110 0.000 1.154 866 I CB 2.151 40.108 38.000 -0.072 0.000 1.315 866 I HN 0.495 nan 8.210 nan 0.000 0.448 867 T N 5.758 120.179 114.554 -0.222 0.000 2.797 867 T HA 0.542 4.899 4.350 0.012 0.000 0.279 867 T C -0.296 174.210 174.700 -0.324 0.000 0.991 867 T CA -0.455 61.513 62.100 -0.219 0.000 0.979 867 T CB 1.828 70.655 68.868 -0.067 0.000 0.943 867 T HN 0.204 nan 8.240 nan 0.000 0.444 868 V N 3.699 123.293 119.914 -0.533 0.000 2.588 868 V HA 0.474 4.601 4.120 0.012 0.000 0.304 868 V C -0.712 175.212 176.094 -0.283 0.000 1.042 868 V CA -0.895 61.118 62.300 -0.478 0.000 0.877 868 V CB 2.038 33.291 31.823 -0.949 0.000 0.996 868 V HN 0.852 nan 8.190 nan 0.000 0.425 869 D N 3.413 123.809 120.400 -0.006 0.000 2.549 869 D HA 0.516 5.163 4.640 0.012 0.000 0.251 869 D C -1.032 175.382 176.300 0.191 0.000 1.153 869 D CA -0.082 54.007 54.000 0.149 0.000 0.861 869 D CB 2.690 43.597 40.800 0.179 0.000 1.207 869 D HN 0.249 nan 8.370 nan 0.000 0.543 870 V N 2.368 122.430 119.914 0.247 0.000 2.628 870 V HA 0.309 4.437 4.120 0.012 0.000 0.306 870 V C 0.032 176.266 176.094 0.232 0.000 1.045 870 V CA -0.700 61.763 62.300 0.272 0.000 0.905 870 V CB 2.509 34.534 31.823 0.338 0.000 0.997 870 V HN 0.358 nan 8.190 nan 0.000 0.436 871 E N 2.499 122.823 120.200 0.207 0.000 2.171 871 E HA 0.613 4.970 4.350 0.012 0.000 0.271 871 E C -1.539 175.172 176.600 0.186 0.000 0.916 871 E CA -0.590 55.911 56.400 0.168 0.000 0.774 871 E CB 2.580 32.362 29.700 0.136 0.000 1.128 871 E HN 0.399 nan 8.360 nan 0.000 0.403 872 V N 2.238 122.266 119.914 0.191 0.000 2.409 872 V HA 0.358 4.485 4.120 0.012 0.000 0.291 872 V C 0.115 176.299 176.094 0.150 0.000 1.020 872 V CA -0.900 61.538 62.300 0.230 0.000 0.848 872 V CB 1.424 33.423 31.823 0.293 0.000 0.990 872 V HN 0.832 nan 8.190 nan 0.000 0.430 873 A N 3.600 126.460 122.820 0.067 0.000 2.546 873 A HA 0.268 4.595 4.320 0.012 0.000 0.243 873 A C 1.618 179.269 177.584 0.111 0.000 1.063 873 A CA 0.631 52.701 52.037 0.055 0.000 0.757 873 A CB 0.254 19.251 19.000 -0.006 0.000 0.991 873 A HN 1.343 nan 8.150 nan 0.000 0.503 874 S N 1.180 116.945 115.700 0.109 0.000 2.447 874 S HA -0.148 4.330 4.470 0.012 0.000 0.233 874 S C 0.885 175.568 174.600 0.138 0.000 1.006 874 S CA 1.284 59.570 58.200 0.145 0.000 0.957 874 S CB -0.285 62.980 63.200 0.107 0.000 0.773 874 S HN 0.819 nan 8.310 nan 0.000 0.507 875 D N 0.398 120.852 120.400 0.089 0.000 2.339 875 D HA 0.132 4.779 4.640 0.012 0.000 0.217 875 D C 0.593 176.929 176.300 0.061 0.000 1.050 875 D CA 0.070 54.107 54.000 0.062 0.000 0.856 875 D CB -0.433 40.390 40.800 0.039 0.000 0.922 875 D HN 0.324 nan 8.370 nan 0.000 0.518 876 T N 1.206 115.821 114.554 0.101 0.000 2.934 876 T HA 0.406 4.764 4.350 0.012 0.000 0.283 876 T C -2.611 172.198 174.700 0.183 0.000 1.005 876 T CA -1.977 60.206 62.100 0.139 0.000 1.041 876 T CB 1.222 70.185 68.868 0.158 0.000 1.042 876 T HN -0.158 nan 8.240 nan 0.000 0.505 877 P HA 0.130 nan 4.420 nan 0.000 0.268 877 P C -0.620 176.988 177.300 0.513 0.000 1.205 877 P CA -0.000 63.216 63.100 0.194 0.000 0.771 877 P CB -0.054 31.750 31.700 0.173 0.000 0.858 878 H N 3.417 122.847 119.070 0.600 0.000 3.094 878 H HA 0.060 4.623 4.556 0.012 0.000 0.320 878 H C -1.606 174.040 175.328 0.530 0.000 1.000 878 H CA -1.178 55.152 56.048 0.470 0.000 1.413 878 H CB -0.411 29.567 29.762 0.360 0.000 1.405 878 H HN 0.385 nan 8.280 nan 0.000 0.586 879 P HA 0.062 nan 4.420 nan 0.000 0.279 879 P C 0.090 177.269 177.300 -0.201 0.000 1.252 879 P CA -0.428 62.723 63.100 0.085 0.000 0.811 879 P CB 1.188 32.798 31.700 -0.150 0.000 1.035 880 A N 2.589 125.011 122.820 -0.664 0.000 1.972 880 A HA -0.102 4.225 4.320 0.012 0.000 0.219 880 A C 1.005 178.192 177.584 -0.661 0.000 1.169 880 A CA 1.372 52.997 52.037 -0.686 0.000 0.635 880 A CB -0.583 17.820 19.000 -0.994 0.000 0.810 880 A HN 0.744 nan 8.150 nan 0.000 0.446 881 R N -2.964 117.191 120.500 -0.575 0.000 2.728 881 R HA 0.731 5.078 4.340 0.012 0.000 0.274 881 R C -1.662 174.397 176.300 -0.403 0.000 1.030 881 R CA -0.814 54.972 56.100 -0.523 0.000 0.876 881 R CB 0.819 30.779 30.300 -0.567 0.000 1.259 881 R HN -0.007 nan 8.270 nan 0.000 0.468 882 I N 1.091 121.462 120.570 -0.332 0.000 2.493 882 I HA 0.659 4.837 4.170 0.012 0.000 0.279 882 I C -0.398 175.497 176.117 -0.370 0.000 1.045 882 I CA -0.317 60.816 61.300 -0.278 0.000 1.106 882 I CB 1.882 39.783 38.000 -0.165 0.000 1.216 882 I HN 0.955 nan 8.210 nan 0.000 0.459 883 G N 5.933 114.451 108.800 -0.469 0.000 2.634 883 G HA2 0.732 4.700 3.960 0.012 0.000 0.309 883 G HA3 0.732 4.700 3.960 0.012 0.000 0.309 883 G C -1.700 173.040 174.900 -0.268 0.000 1.299 883 G CA -0.583 44.278 45.100 -0.398 0.000 0.798 883 G HN 0.279 nan 8.290 nan 0.000 0.490 884 L N 0.756 121.873 121.223 -0.177 0.000 2.309 884 L HA 0.663 5.010 4.340 0.012 0.000 0.261 884 L C -0.676 176.101 176.870 -0.155 0.000 1.021 884 L CA -1.145 53.623 54.840 -0.120 0.000 0.823 884 L CB 2.469 44.538 42.059 0.017 0.000 1.366 884 L HN 0.802 nan 8.230 nan 0.000 0.423 885 N N 0.541 119.177 118.700 -0.107 0.000 2.494 885 N HA 0.673 5.421 4.740 0.012 0.000 0.270 885 N C -1.360 174.159 175.510 0.015 0.000 1.285 885 N CA -0.487 52.531 53.050 -0.053 0.000 0.812 885 N CB 2.465 40.931 38.487 -0.034 0.000 1.557 885 N HN 0.844 nan 8.380 nan 0.000 0.487 886 C N -1.113 118.210 119.300 0.039 0.000 3.312 886 C HA 0.569 5.037 4.460 0.012 0.000 0.332 886 C C -1.121 173.682 174.990 -0.310 0.000 1.340 886 C CA -0.835 58.148 59.018 -0.058 0.000 1.265 886 C CB 1.026 28.767 27.740 0.001 0.000 1.563 886 C HN 0.842 nan 8.230 nan 0.000 0.471 887 Q N 1.420 120.817 119.800 -0.672 0.000 2.372 887 Q HA 0.641 4.988 4.340 0.012 0.000 0.259 887 Q C -0.974 174.731 176.000 -0.491 0.000 0.993 887 Q CA -0.427 54.730 55.803 -1.075 0.000 0.854 887 Q CB 0.901 28.658 28.738 -1.635 0.000 1.231 887 Q HN 0.775 nan 8.270 nan 0.000 0.462 888 L N 2.502 123.541 121.223 -0.306 0.000 2.439 888 L HA 0.211 4.558 4.340 0.012 0.000 0.269 888 L C 1.234 178.039 176.870 -0.110 0.000 1.179 888 L CA -0.122 54.660 54.840 -0.097 0.000 0.828 888 L CB 0.768 42.870 42.059 0.072 0.000 1.106 888 L HN 0.830 nan 8.230 nan 0.000 0.467 889 A N 2.057 124.839 122.820 -0.062 0.000 1.968 889 A HA -0.120 4.208 4.320 0.012 0.000 0.217 889 A C 1.119 178.687 177.584 -0.028 0.000 1.169 889 A CA 0.627 52.620 52.037 -0.073 0.000 0.638 889 A CB -0.293 18.657 19.000 -0.082 0.000 0.812 889 A HN 0.796 nan 8.150 nan 0.000 0.446 890 Q N 0.026 119.843 119.800 0.029 0.000 2.352 890 Q HA 0.434 4.782 4.340 0.012 0.000 0.260 890 Q C -1.182 174.861 176.000 0.071 0.000 0.976 890 Q CA 0.094 55.916 55.803 0.031 0.000 0.881 890 Q CB 0.931 29.709 28.738 0.067 0.000 1.235 890 Q HN 0.124 nan 8.270 nan 0.000 0.419 891 V N 3.449 123.371 119.914 0.013 0.000 2.444 891 V HA 0.813 4.941 4.120 0.012 0.000 0.294 891 V C -0.604 175.465 176.094 -0.042 0.000 1.022 891 V CA -0.301 62.039 62.300 0.067 0.000 0.850 891 V CB 1.132 32.975 31.823 0.033 0.000 0.992 891 V HN 0.924 nan 8.190 nan 0.000 0.426 892 A N 3.209 125.967 122.820 -0.103 0.000 2.384 892 A HA 0.708 5.035 4.320 0.012 0.000 0.312 892 A C 0.670 178.250 177.584 -0.007 0.000 1.113 892 A CA -0.521 51.370 52.037 -0.242 0.000 0.779 892 A CB 1.241 19.817 19.000 -0.707 0.000 1.307 892 A HN 0.810 nan 8.150 nan 0.000 0.436 893 E N 0.289 120.482 120.200 -0.013 0.000 2.150 893 E HA -0.073 4.284 4.350 0.012 0.000 0.193 893 E C 0.142 176.806 176.600 0.107 0.000 0.985 893 E CA 0.790 57.218 56.400 0.047 0.000 0.814 893 E CB 0.075 29.785 29.700 0.018 0.000 0.752 893 E HN 0.456 nan 8.360 nan 0.000 0.466 894 R N 0.174 120.745 120.500 0.119 0.000 2.888 894 R HA 0.558 4.906 4.340 0.012 0.000 0.266 894 R C -0.747 175.733 176.300 0.301 0.000 1.020 894 R CA -0.866 55.343 56.100 0.181 0.000 0.963 894 R CB 1.790 32.169 30.300 0.130 0.000 1.197 894 R HN -0.177 nan 8.270 nan 0.000 0.481 895 V N 1.818 121.927 119.914 0.325 0.000 2.483 895 V HA 0.349 4.477 4.120 0.012 0.000 0.297 895 V C -0.426 175.946 176.094 0.462 0.000 1.027 895 V CA -0.905 61.625 62.300 0.383 0.000 0.855 895 V CB 1.794 33.783 31.823 0.276 0.000 0.995 895 V HN 0.656 nan 8.190 nan 0.000 0.424 896 N N 4.716 123.660 118.700 0.407 0.000 2.314 896 N HA 0.542 5.290 4.740 0.012 0.000 0.294 896 N C -1.352 174.416 175.510 0.430 0.000 1.029 896 N CA -0.435 52.831 53.050 0.361 0.000 0.845 896 N CB 2.673 41.261 38.487 0.169 0.000 1.321 896 N HN 0.804 nan 8.380 nan 0.000 0.481 897 W N 3.174 124.502 121.300 0.047 0.000 3.118 897 W HA 0.589 5.256 4.660 0.012 0.000 0.328 897 W C -2.007 174.461 176.519 -0.085 0.000 1.239 897 W CA -1.141 56.204 57.345 -0.001 0.000 1.176 897 W CB 0.740 30.228 29.460 0.047 0.000 1.433 897 W HN 0.226 nan 8.180 nan 0.000 0.562 898 L N 4.138 125.334 121.223 -0.046 0.000 2.277 898 L HA 0.917 5.264 4.340 0.012 0.000 0.284 898 L C 0.031 176.653 176.870 -0.413 0.000 1.028 898 L CA 0.376 54.985 54.840 -0.385 0.000 0.835 898 L CB 0.615 42.549 42.059 -0.207 0.000 1.215 898 L HN 1.017 nan 8.230 nan 0.000 0.425 899 G N 3.707 112.083 108.800 -0.707 0.000 2.336 899 G HA2 0.175 4.143 3.960 0.012 0.000 0.286 899 G HA3 0.175 4.143 3.960 0.012 0.000 0.286 899 G C -1.606 173.248 174.900 -0.078 0.000 1.269 899 G CA -1.083 43.808 45.100 -0.349 0.000 0.873 899 G HN 0.469 nan 8.290 nan 0.000 0.494 900 L N 1.073 122.413 121.223 0.195 0.000 2.410 900 L HA 0.564 4.911 4.340 0.012 0.000 0.273 900 L C 1.146 178.121 176.870 0.174 0.000 1.152 900 L CA 0.959 55.907 54.840 0.180 0.000 0.855 900 L CB 0.437 42.557 42.059 0.103 0.000 1.129 900 L HN 1.221 nan 8.230 nan 0.000 0.463 901 G N 2.970 111.658 108.800 -0.188 0.000 2.428 901 G HA2 0.254 4.221 3.960 0.012 0.000 0.305 901 G HA3 0.254 4.221 3.960 0.012 0.000 0.305 901 G C -2.743 171.296 174.900 -1.436 0.000 1.260 901 G CA -0.270 44.367 45.100 -0.771 0.000 0.853 901 G HN 0.312 nan 8.290 nan 0.000 0.480 902 P HA 0.087 nan 4.420 nan 0.000 0.235 902 P C 0.455 177.575 177.300 -0.301 0.000 1.177 902 P CA 0.579 63.032 63.100 -1.078 0.000 0.785 902 P CB 0.503 31.729 31.700 -0.790 0.000 0.885 903 Q N 0.473 120.083 119.800 -0.316 0.000 2.318 903 Q HA 0.153 4.501 4.340 0.012 0.000 0.222 903 Q C 0.430 176.326 176.000 -0.173 0.000 1.003 903 Q CA -0.616 55.077 55.803 -0.183 0.000 0.936 903 Q CB 0.674 29.320 28.738 -0.153 0.000 1.204 903 Q HN 0.122 nan 8.270 nan 0.000 0.524 904 E N 1.222 121.328 120.200 -0.157 0.000 2.502 904 E HA -0.096 4.262 4.350 0.012 0.000 0.261 904 E C -1.160 175.359 176.600 -0.135 0.000 0.974 904 E CA 0.267 56.561 56.400 -0.177 0.000 0.936 904 E CB 0.262 29.919 29.700 -0.073 0.000 0.926 904 E HN 0.609 nan 8.360 nan 0.000 0.459 905 N N 2.650 121.195 118.700 -0.259 0.000 2.371 905 N HA 0.298 5.045 4.740 0.012 0.000 0.280 905 N C -1.876 173.425 175.510 -0.349 0.000 1.084 905 N CA -0.673 52.278 53.050 -0.166 0.000 0.892 905 N CB 0.724 39.135 38.487 -0.127 0.000 1.653 905 N HN 0.237 nan 8.380 nan 0.000 0.480 906 Y N 0.457 120.665 120.300 -0.153 0.000 2.630 906 Y HA 0.508 5.065 4.550 0.012 0.000 0.337 906 Y C -1.611 174.209 175.900 -0.133 0.000 1.051 906 Y CA -2.074 55.920 58.100 -0.176 0.000 1.121 906 Y CB 1.881 40.233 38.460 -0.181 0.000 1.299 906 Y HN 0.440 nan 8.280 nan 0.000 0.498 907 P HA -0.192 nan 4.420 nan 0.000 0.216 907 P C 0.343 177.483 177.300 -0.266 0.000 1.154 907 P CA 2.203 65.325 63.100 0.038 0.000 0.865 907 P CB 0.199 32.043 31.700 0.240 0.000 0.789 908 D N -2.580 117.460 120.400 -0.600 0.000 2.340 908 D HA 0.011 4.658 4.640 0.012 0.000 0.217 908 D C 0.784 176.922 176.300 -0.271 0.000 1.081 908 D CA 0.127 53.563 54.000 -0.940 0.000 0.842 908 D CB -0.251 39.830 40.800 -1.198 0.000 0.934 908 D HN 0.128 nan 8.370 nan 0.000 0.511 909 R N 1.106 121.548 120.500 -0.097 0.000 2.638 909 R HA 0.193 4.541 4.340 0.012 0.000 0.261 909 R C -0.537 175.790 176.300 0.046 0.000 1.515 909 R CA -0.154 55.958 56.100 0.021 0.000 1.623 909 R CB 0.073 30.393 30.300 0.033 0.000 1.347 909 R HN 0.091 nan 8.270 nan 0.000 0.705 910 L N -1.863 119.394 121.223 0.057 0.000 3.259 910 L HA 0.352 4.699 4.340 0.012 0.000 0.292 910 L C 1.357 178.285 176.870 0.096 0.000 1.219 910 L CA 0.098 54.972 54.840 0.057 0.000 1.035 910 L CB 0.176 42.258 42.059 0.038 0.000 1.424 910 L HN 0.070 nan 8.230 nan 0.000 0.603 911 T N -2.692 111.949 114.554 0.144 0.000 2.867 911 T HA -0.002 4.355 4.350 0.012 0.000 0.268 911 T C 1.778 176.535 174.700 0.096 0.000 1.057 911 T CA 1.271 63.483 62.100 0.185 0.000 1.136 911 T CB -0.353 68.683 68.868 0.279 0.000 0.874 911 T HN 0.388 nan 8.240 nan 0.000 0.466 912 A N 1.531 124.409 122.820 0.097 0.000 2.119 912 A HA 0.654 4.981 4.320 0.012 0.000 0.216 912 A C 1.604 179.256 177.584 0.113 0.000 1.152 912 A CA 0.465 52.505 52.037 0.005 0.000 0.708 912 A CB -0.897 18.250 19.000 0.245 0.000 0.805 912 A HN 0.825 nan 8.150 nan 0.000 0.460 913 A N -1.146 121.693 122.820 0.033 0.000 2.386 913 A HA 0.451 4.779 4.320 0.012 0.000 0.248 913 A C 0.008 177.598 177.584 0.009 0.000 1.082 913 A CA -0.028 51.985 52.037 -0.041 0.000 0.789 913 A CB -0.076 18.895 19.000 -0.049 0.000 1.025 913 A HN 0.470 nan 8.150 nan 0.000 0.490 914 C N 0.477 119.773 119.300 -0.006 0.000 2.561 914 C HA 0.580 5.048 4.460 0.012 0.000 0.319 914 C C -0.257 174.814 174.990 0.136 0.000 1.198 914 C CA -0.499 58.565 59.018 0.076 0.000 1.665 914 C CB 0.955 28.763 27.740 0.114 0.000 2.258 914 C HN 0.791 nan 8.230 nan 0.000 0.493 915 F N 3.580 123.330 119.950 -0.333 0.000 2.420 915 F HA 0.554 5.088 4.527 0.012 0.000 0.352 915 F C 0.281 175.735 175.800 -0.576 0.000 1.108 915 F CA 1.018 58.712 58.000 -0.509 0.000 1.162 915 F CB 0.152 38.352 39.000 -1.333 0.000 1.118 915 F HN 0.623 nan 8.300 nan 0.000 0.510 916 D N 3.095 122.917 120.400 -0.963 0.000 2.809 916 D HA 0.165 4.813 4.640 0.012 0.000 0.336 916 D C -1.716 173.712 176.300 -1.454 0.000 1.367 916 D CA -0.713 52.624 54.000 -1.106 0.000 0.815 916 D CB 1.419 41.452 40.800 -1.278 0.000 1.381 916 D HN 0.512 nan 8.370 nan 0.000 0.471 917 R N 0.685 120.444 120.500 -1.235 0.000 2.221 917 R HA 0.548 4.895 4.340 0.012 0.000 0.327 917 R C -1.337 174.215 176.300 -1.247 0.000 1.033 917 R CA -0.125 55.381 56.100 -0.990 0.000 0.887 917 R CB 0.247 30.216 30.300 -0.552 0.000 1.057 917 R HN 0.299 nan 8.270 nan 0.000 0.455 918 W N 2.404 123.197 121.300 -0.845 0.000 2.719 918 W HA 0.450 5.117 4.660 0.012 0.000 0.352 918 W C -0.560 175.608 176.519 -0.585 0.000 1.085 918 W CA -0.662 56.137 57.345 -0.910 0.000 1.187 918 W CB 1.702 30.149 29.460 -1.689 0.000 1.417 918 W HN 0.395 nan 8.180 nan 0.000 0.557 919 D N 2.185 122.558 120.400 -0.045 0.000 2.613 919 D HA 0.361 5.008 4.640 0.012 0.000 0.230 919 D C -1.619 174.785 176.300 0.172 0.000 1.365 919 D CA -0.119 53.948 54.000 0.111 0.000 0.976 919 D CB 0.957 41.774 40.800 0.028 0.000 1.415 919 D HN 0.364 nan 8.370 nan 0.000 0.589 920 L N 3.004 124.404 121.223 0.295 0.000 2.309 920 L HA 0.580 4.927 4.340 0.012 0.000 0.261 920 L C -2.256 174.733 176.870 0.198 0.000 1.021 920 L CA -2.175 52.809 54.840 0.239 0.000 0.823 920 L CB 2.595 44.849 42.059 0.324 0.000 1.366 920 L HN 0.175 nan 8.230 nan 0.000 0.423 921 P HA 0.026 nan 4.420 nan 0.000 0.271 921 P C 0.569 177.946 177.300 0.129 0.000 1.218 921 P CA -0.358 62.812 63.100 0.117 0.000 0.780 921 P CB 0.883 32.631 31.700 0.081 0.000 0.901 922 L N 3.732 125.038 121.223 0.138 0.000 2.051 922 L HA -0.281 4.066 4.340 0.012 0.000 0.214 922 L C 2.224 179.145 176.870 0.085 0.000 1.076 922 L CA 2.836 57.752 54.840 0.125 0.000 0.758 922 L CB -1.551 40.596 42.059 0.147 0.000 0.890 922 L HN 0.470 nan 8.230 nan 0.000 0.433 923 S N -2.047 113.704 115.700 0.086 0.000 2.442 923 S HA -0.159 4.319 4.470 0.012 0.000 0.236 923 S C 1.587 176.258 174.600 0.118 0.000 1.007 923 S CA 1.070 59.335 58.200 0.108 0.000 0.965 923 S CB -0.722 62.536 63.200 0.096 0.000 0.773 923 S HN 0.535 nan 8.310 nan 0.000 0.504 924 D N 1.038 121.486 120.400 0.080 0.000 2.348 924 D HA 0.114 4.761 4.640 0.012 0.000 0.216 924 D C 1.183 177.492 176.300 0.014 0.000 0.970 924 D CA 0.586 54.613 54.000 0.045 0.000 0.889 924 D CB -0.110 40.722 40.800 0.054 0.000 0.912 924 D HN 0.373 nan 8.370 nan 0.000 0.524 925 M N -0.430 119.185 119.600 0.024 0.000 2.494 925 M HA 0.067 4.554 4.480 0.012 0.000 0.232 925 M C -0.118 176.183 176.300 0.000 0.000 1.137 925 M CA -0.057 55.209 55.300 -0.057 0.000 1.012 925 M CB -0.763 31.795 32.600 -0.071 0.000 1.567 925 M HN -0.049 nan 8.290 nan 0.000 0.486 926 Y N -0.022 120.244 120.300 -0.055 0.000 2.376 926 Y HA 0.506 5.064 4.550 0.013 0.000 0.340 926 Y C -0.743 175.131 175.900 -0.045 0.000 0.965 926 Y CA -1.006 57.087 58.100 -0.012 0.000 1.078 926 Y CB 1.259 39.777 38.460 0.097 0.000 1.193 926 Y HN -0.129 nan 8.280 nan 0.000 0.452 927 T N 9.051 123.230 114.554 -0.625 0.000 2.749 927 T HA 0.304 4.661 4.350 0.012 0.000 0.287 927 T C -2.731 171.280 174.700 -1.148 0.000 0.970 927 T CA -1.496 60.144 62.100 -0.768 0.000 0.980 927 T CB 1.129 69.609 68.868 -0.646 0.000 0.924 927 T HN 0.459 nan 8.240 nan 0.000 0.456 928 P HA 0.191 nan 4.420 nan 0.000 0.219 928 P C -0.758 176.514 177.300 -0.047 0.000 1.832 928 P CA -0.584 62.153 63.100 -0.604 0.000 1.014 928 P CB -0.480 31.004 31.700 -0.359 0.000 1.939 929 Y N 0.198 120.542 120.300 0.073 0.000 2.610 929 Y HA -0.102 4.455 4.550 0.012 0.000 0.332 929 Y C 2.273 178.298 175.900 0.208 0.000 1.201 929 Y CA 0.077 58.295 58.100 0.196 0.000 1.465 929 Y CB 0.171 38.634 38.460 0.006 0.000 1.283 929 Y HN -0.037 nan 8.280 nan 0.000 0.563 930 V N 3.330 123.533 119.914 0.482 0.000 2.282 930 V HA -0.305 3.822 4.120 0.012 0.000 0.249 930 V C 0.721 177.004 176.094 0.316 0.000 1.057 930 V CA 1.536 64.071 62.300 0.391 0.000 1.032 930 V CB -0.639 31.442 31.823 0.429 0.000 0.645 930 V HN 0.620 nan 8.190 nan 0.000 0.447 931 F N 3.223 123.230 119.950 0.096 0.000 2.375 931 F HA 0.480 5.015 4.527 0.013 0.000 0.362 931 F C -2.406 173.399 175.800 0.009 0.000 1.129 931 F CA -3.342 54.645 58.000 -0.023 0.000 1.154 931 F CB 0.596 39.450 39.000 -0.243 0.000 1.205 931 F HN 0.019 nan 8.300 nan 0.000 0.513 932 P HA 0.209 nan 4.420 nan 0.000 0.268 932 P C -0.986 176.054 177.300 -0.434 0.000 1.205 932 P CA 0.128 63.022 63.100 -0.344 0.000 0.771 932 P CB 1.178 32.679 31.700 -0.332 0.000 0.858 933 S N 0.220 115.838 115.700 -0.136 0.000 2.727 933 S HA 0.469 4.946 4.470 0.012 0.000 0.278 933 S C -0.781 173.821 174.600 0.004 0.000 1.186 933 S CA -0.956 57.194 58.200 -0.083 0.000 0.836 933 S CB 0.491 63.668 63.200 -0.039 0.000 1.186 933 S HN 0.338 nan 8.310 nan 0.000 0.499 934 E N 1.107 121.317 120.200 0.017 0.000 2.502 934 E HA 0.364 4.721 4.350 0.012 0.000 0.261 934 E C -0.209 176.454 176.600 0.105 0.000 0.974 934 E CA 0.745 57.183 56.400 0.063 0.000 0.936 934 E CB -0.212 29.546 29.700 0.097 0.000 0.926 934 E HN 0.797 nan 8.360 nan 0.000 0.459 935 N N 1.360 120.161 118.700 0.169 0.000 3.046 935 N HA 0.487 5.235 4.740 0.012 0.000 0.243 935 N C 0.141 175.730 175.510 0.131 0.000 1.452 935 N CA -0.608 52.588 53.050 0.243 0.000 0.882 935 N CB 0.938 39.574 38.487 0.247 0.000 1.425 935 N HN 0.736 nan 8.380 nan 0.000 0.517 936 G N -1.306 107.531 108.800 0.062 0.000 2.184 936 G HA2 -0.261 3.706 3.960 0.012 0.000 0.264 936 G HA3 -0.261 3.706 3.960 0.012 0.000 0.264 936 G C -0.240 174.408 174.900 -0.420 0.000 0.975 936 G CA 0.381 45.388 45.100 -0.156 0.000 0.642 936 G HN 0.685 nan 8.290 nan 0.000 0.536 937 L N 0.122 121.011 121.223 -0.556 0.000 2.483 937 L HA 0.676 5.024 4.340 0.012 0.000 0.275 937 L C 0.718 177.010 176.870 -0.962 0.000 1.220 937 L CA 0.356 54.629 54.840 -0.946 0.000 0.833 937 L CB 0.550 41.713 42.059 -1.492 0.000 1.102 937 L HN 0.257 nan 8.230 nan 0.000 0.490 938 R N 2.197 122.049 120.500 -1.080 0.000 2.561 938 R HA 0.513 4.860 4.340 0.012 0.000 0.297 938 R C -0.969 174.995 176.300 -0.560 0.000 0.969 938 R CA -0.274 55.340 56.100 -0.810 0.000 0.879 938 R CB 1.434 31.108 30.300 -1.044 0.000 1.178 938 R HN 0.690 nan 8.270 nan 0.000 0.445 939 C N 0.304 119.422 119.300 -0.303 0.000 2.380 939 C HA 0.709 5.176 4.460 0.012 0.000 0.393 939 C C 1.255 176.229 174.990 -0.027 0.000 1.284 939 C CA 0.028 58.942 59.018 -0.173 0.000 2.033 939 C CB 1.342 29.003 27.740 -0.131 0.000 2.165 939 C HN 1.023 nan 8.230 nan 0.000 0.540 940 G N 1.713 110.511 108.800 -0.003 0.000 2.341 940 G HA2 -0.190 3.777 3.960 0.012 0.000 0.292 940 G HA3 -0.190 3.777 3.960 0.012 0.000 0.292 940 G C -0.034 174.921 174.900 0.093 0.000 1.021 940 G CA 0.632 45.784 45.100 0.086 0.000 0.905 940 G HN 0.790 nan 8.290 nan 0.000 0.508 941 T N -0.011 114.472 114.554 -0.119 0.000 2.806 941 T HA 0.501 4.859 4.350 0.012 0.000 0.290 941 T C 1.388 175.771 174.700 -0.527 0.000 0.966 941 T CA -0.551 61.405 62.100 -0.240 0.000 1.060 941 T CB 1.261 70.037 68.868 -0.154 0.000 0.927 941 T HN 0.239 nan 8.240 nan 0.000 0.485 942 R N 1.574 121.970 120.500 -0.173 0.000 2.254 942 R HA 0.298 4.646 4.340 0.012 0.000 0.193 942 R C 0.548 176.865 176.300 0.029 0.000 0.929 942 R CA 0.215 56.283 56.100 -0.053 0.000 1.038 942 R CB 0.416 30.825 30.300 0.181 0.000 1.009 942 R HN 0.677 nan 8.270 nan 0.000 0.512 943 E N 0.484 120.714 120.200 0.049 0.000 2.335 943 E HA 0.359 4.716 4.350 0.012 0.000 0.280 943 E C -1.856 174.880 176.600 0.228 0.000 0.918 943 E CA -0.704 55.814 56.400 0.197 0.000 0.765 943 E CB 1.626 31.406 29.700 0.134 0.000 1.218 943 E HN -0.097 nan 8.360 nan 0.000 0.425 944 L N 3.911 125.329 121.223 0.326 0.000 2.410 944 L HA 0.588 4.936 4.340 0.012 0.000 0.270 944 L C -1.886 175.177 176.870 0.321 0.000 0.983 944 L CA -0.417 54.553 54.840 0.215 0.000 0.822 944 L CB 1.792 43.831 42.059 -0.033 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.449 123.310 118.700 0.267 0.000 2.354 945 N HA 0.410 5.157 4.740 0.012 0.000 0.287 945 N C -1.985 173.744 175.510 0.365 0.000 1.016 945 N CA -0.265 52.934 53.050 0.248 0.000 0.871 945 N CB 2.226 40.801 38.487 0.147 0.000 1.299 945 N HN 0.593 nan 8.380 nan 0.000 0.482 946 Y N 1.216 121.645 120.300 0.215 0.000 2.307 946 Y HA 0.415 4.972 4.550 0.012 0.000 0.323 946 Y C 0.588 176.584 175.900 0.160 0.000 1.100 946 Y CA 0.133 58.363 58.100 0.217 0.000 1.140 946 Y CB 0.577 39.233 38.460 0.327 0.000 1.159 946 Y HN 0.866 nan 8.280 nan 0.000 0.436 947 G N 6.502 115.096 108.800 -0.342 0.000 2.550 947 G HA2 -0.283 3.684 3.960 0.012 0.000 0.277 947 G HA3 -0.283 3.684 3.960 0.012 0.000 0.277 947 G C -1.924 172.844 174.900 -0.219 0.000 1.190 947 G CA 0.047 44.955 45.100 -0.321 0.000 0.971 947 G HN 0.541 nan 8.290 nan 0.000 0.559 948 P HA 0.181 nan 4.420 nan 0.000 0.255 948 P C 0.255 177.301 177.300 -0.424 0.000 1.248 948 P CA 0.615 63.499 63.100 -0.361 0.000 0.807 948 P CB 0.039 31.480 31.700 -0.432 0.000 1.150 949 H N 0.375 119.349 119.070 -0.160 0.000 2.482 949 H HA 0.462 5.025 4.556 0.012 0.000 0.344 949 H C -0.055 174.943 175.328 -0.549 0.000 1.151 949 H CA 0.020 55.811 56.048 -0.427 0.000 1.300 949 H CB 1.552 30.767 29.762 -0.912 0.000 1.494 949 H HN 0.066 nan 8.280 nan 0.000 0.542 950 Q N 2.174 121.656 119.800 -0.530 0.000 2.305 950 Q HA 0.241 4.589 4.340 0.012 0.000 0.271 950 Q C -1.660 174.049 176.000 -0.485 0.000 1.046 950 Q CA -0.701 54.912 55.803 -0.315 0.000 0.798 950 Q CB 2.107 30.804 28.738 -0.067 0.000 1.286 950 Q HN 0.583 nan 8.270 nan 0.000 0.435 951 W N 3.943 125.193 121.300 -0.083 0.000 2.656 951 W HA 0.573 5.240 4.660 0.013 0.000 0.327 951 W C -0.278 176.319 176.519 0.130 0.000 1.041 951 W CA -0.744 56.522 57.345 -0.132 0.000 1.229 951 W CB 2.004 31.180 29.460 -0.474 0.000 1.397 951 W HN 0.522 nan 8.180 nan 0.000 0.479 952 R N 0.797 121.535 120.500 0.398 0.000 2.750 952 R HA 0.792 5.140 4.340 0.012 0.000 0.281 952 R C 0.214 176.803 176.300 0.481 0.000 0.972 952 R CA -0.456 55.905 56.100 0.435 0.000 0.912 952 R CB 2.436 32.893 30.300 0.263 0.000 1.187 952 R HN 0.741 nan 8.270 nan 0.000 0.464 953 G N 0.647 109.735 108.800 0.480 0.000 2.600 953 G HA2 0.025 3.993 3.960 0.012 0.000 0.103 953 G HA3 0.025 3.993 3.960 0.012 0.000 0.103 953 G C -1.738 173.308 174.900 0.243 0.000 1.090 953 G CA -0.272 45.074 45.100 0.409 0.000 1.090 953 G HN 0.492 nan 8.290 nan 0.000 0.500 954 D N -0.006 120.541 120.400 0.244 0.000 2.411 954 D HA 0.565 5.213 4.640 0.012 0.000 0.239 954 D C -0.758 175.557 176.300 0.026 0.000 1.307 954 D CA -0.475 53.543 54.000 0.030 0.000 0.930 954 D CB 0.160 41.014 40.800 0.089 0.000 1.395 954 D HN 0.535 nan 8.370 nan 0.000 0.536 955 F N -0.271 119.680 119.950 0.001 0.000 2.824 955 F HA 0.741 5.276 4.527 0.012 0.000 0.330 955 F C -1.051 174.708 175.800 -0.069 0.000 1.175 955 F CA -1.011 56.923 58.000 -0.110 0.000 0.974 955 F CB 0.725 39.662 39.000 -0.104 0.000 1.430 955 F HN -0.165 nan 8.300 nan 0.000 0.507 956 Q N 1.461 121.344 119.800 0.139 0.000 2.345 956 Q HA 0.650 4.997 4.340 0.012 0.000 0.268 956 Q C -1.272 174.797 176.000 0.115 0.000 1.054 956 Q CA -0.513 55.291 55.803 0.002 0.000 0.835 956 Q CB 2.695 31.323 28.738 -0.183 0.000 1.339 956 Q HN 0.842 nan 8.270 nan 0.000 0.447 957 F N -1.216 118.619 119.950 -0.191 0.000 2.711 957 F HA 0.755 5.289 4.527 0.013 0.000 0.313 957 F C -1.440 174.148 175.800 -0.354 0.000 1.141 957 F CA -1.155 56.692 58.000 -0.254 0.000 0.941 957 F CB 1.398 40.264 39.000 -0.223 0.000 1.349 957 F HN 0.564 nan 8.300 nan 0.000 0.464 958 N N 1.103 119.631 118.700 -0.286 0.000 2.357 958 N HA 0.765 5.513 4.740 0.012 0.000 0.284 958 N C -2.048 173.396 175.510 -0.110 0.000 1.236 958 N CA -0.771 52.076 53.050 -0.338 0.000 0.774 958 N CB 2.688 40.993 38.487 -0.304 0.000 1.534 958 N HN 1.142 nan 8.380 nan 0.000 0.478 959 I N 0.098 120.593 120.570 -0.125 0.000 2.710 959 I HA 0.651 4.828 4.170 0.012 0.000 0.290 959 I C -1.532 174.498 176.117 -0.144 0.000 1.318 959 I CA 0.062 61.260 61.300 -0.170 0.000 1.045 959 I CB 1.349 39.188 38.000 -0.268 0.000 1.307 959 I HN 1.078 nan 8.210 nan 0.000 0.424 960 S N 6.151 121.781 115.700 -0.118 0.000 2.655 960 S HA 0.504 4.981 4.470 0.012 0.000 0.266 960 S C -0.289 174.211 174.600 -0.166 0.000 1.149 960 S CA -0.988 57.133 58.200 -0.131 0.000 0.818 960 S CB 1.631 64.800 63.200 -0.053 0.000 1.130 960 S HN 0.643 nan 8.310 nan 0.000 0.476 961 R N -0.173 120.065 120.500 -0.438 0.000 2.335 961 R HA 0.240 4.587 4.340 0.012 0.000 0.223 961 R C -0.950 175.036 176.300 -0.523 0.000 0.940 961 R CA 0.348 56.163 56.100 -0.475 0.000 1.086 961 R CB -0.921 29.006 30.300 -0.623 0.000 1.073 961 R HN 0.621 nan 8.270 nan 0.000 0.504 962 Y N 0.122 120.406 120.300 -0.026 0.000 2.350 962 Y HA 0.210 4.767 4.550 0.012 0.000 0.338 962 Y C 0.638 176.335 175.900 -0.339 0.000 0.961 962 Y CA -1.482 56.517 58.100 -0.169 0.000 1.100 962 Y CB 1.376 39.672 38.460 -0.274 0.000 1.179 962 Y HN -0.088 nan 8.280 nan 0.000 0.454 963 S N 1.928 117.312 115.700 -0.527 0.000 2.584 963 S HA 0.046 4.523 4.470 0.012 0.000 0.270 963 S C 0.965 175.216 174.600 -0.581 0.000 1.346 963 S CA -0.695 56.812 58.200 -1.156 0.000 1.018 963 S CB 1.077 63.447 63.200 -1.384 0.000 0.899 963 S HN 0.707 nan 8.310 nan 0.000 0.542 964 Q N 0.823 120.294 119.800 -0.549 0.000 2.135 964 Q HA -0.213 4.135 4.340 0.012 0.000 0.204 964 Q C 2.178 178.030 176.000 -0.248 0.000 0.981 964 Q CA 1.869 57.495 55.803 -0.294 0.000 0.856 964 Q CB -0.501 28.095 28.738 -0.238 0.000 0.902 964 Q HN 0.957 nan 8.270 nan 0.000 0.425 965 Q N 0.485 120.103 119.800 -0.303 0.000 2.084 965 Q HA -0.212 4.136 4.340 0.012 0.000 0.202 965 Q C 2.108 177.997 176.000 -0.185 0.000 0.978 965 Q CA 1.454 57.141 55.803 -0.193 0.000 0.844 965 Q CB 0.057 28.696 28.738 -0.166 0.000 0.898 965 Q HN 0.423 nan 8.270 nan 0.000 0.426 966 Q N 0.060 119.718 119.800 -0.237 0.000 2.050 966 Q HA -0.159 4.189 4.340 0.012 0.000 0.202 966 Q C 2.145 178.007 176.000 -0.231 0.000 0.980 966 Q CA 1.265 56.935 55.803 -0.221 0.000 0.840 966 Q CB -0.058 28.525 28.738 -0.259 0.000 0.898 966 Q HN 0.454 nan 8.270 nan 0.000 0.424 967 L N -0.064 121.023 121.223 -0.226 0.000 2.131 967 L HA -0.159 4.188 4.340 0.012 0.000 0.210 967 L C 2.574 179.308 176.870 -0.225 0.000 1.092 967 L CA 0.881 55.584 54.840 -0.228 0.000 0.759 967 L CB -0.243 41.719 42.059 -0.161 0.000 0.903 967 L HN 0.375 nan 8.230 nan 0.000 0.435 968 M N -0.818 118.680 119.600 -0.169 0.000 2.419 968 M HA -0.120 4.368 4.480 0.012 0.000 0.264 968 M C 1.476 177.697 176.300 -0.131 0.000 1.082 968 M CA 1.394 56.612 55.300 -0.135 0.000 1.119 968 M CB 0.207 32.741 32.600 -0.111 0.000 1.398 968 M HN 0.192 nan 8.290 nan 0.000 0.453 969 E N -0.957 119.161 120.200 -0.136 0.000 2.474 969 E HA 0.060 4.417 4.350 0.012 0.000 0.195 969 E C -0.337 176.200 176.600 -0.105 0.000 1.039 969 E CA 0.086 56.428 56.400 -0.097 0.000 0.881 969 E CB 0.555 30.208 29.700 -0.078 0.000 0.970 969 E HN 0.236 nan 8.360 nan 0.000 0.486 970 T N 0.348 114.800 114.554 -0.170 0.000 2.771 970 T HA 0.104 4.461 4.350 0.012 0.000 0.281 970 T C 1.052 175.633 174.700 -0.198 0.000 0.982 970 T CA -0.480 61.517 62.100 -0.173 0.000 0.978 970 T CB 1.674 70.399 68.868 -0.239 0.000 0.930 970 T HN 0.018 nan 8.240 nan 0.000 0.447 971 S N 1.781 117.462 115.700 -0.031 0.000 2.501 971 S HA 0.100 4.578 4.470 0.012 0.000 0.220 971 S C 0.260 174.903 174.600 0.072 0.000 0.997 971 S CA 0.230 58.489 58.200 0.099 0.000 0.919 971 S CB -0.191 63.224 63.200 0.358 0.000 0.778 971 S HN 0.752 nan 8.310 nan 0.000 0.523 972 H N 0.364 119.421 119.070 -0.021 0.000 2.865 972 H HA 0.466 5.030 4.556 0.012 0.000 0.362 972 H C 0.884 176.188 175.328 -0.040 0.000 1.114 972 H CA -0.854 55.245 56.048 0.086 0.000 1.208 972 H CB 1.466 31.260 29.762 0.053 0.000 1.727 972 H HN 0.075 nan 8.280 nan 0.000 0.534 973 R N 1.710 122.325 120.500 0.191 0.000 2.127 973 R HA -0.182 4.166 4.340 0.012 0.000 0.238 973 R C 1.107 177.429 176.300 0.036 0.000 1.134 973 R CA 1.978 58.130 56.100 0.087 0.000 0.975 973 R CB -0.477 29.919 30.300 0.161 0.000 0.865 973 R HN 0.764 nan 8.270 nan 0.000 0.447 974 H N 0.796 119.864 119.070 -0.004 0.000 2.559 974 H HA 0.078 4.641 4.556 0.012 0.000 0.273 974 H C 1.422 176.665 175.328 -0.141 0.000 1.000 974 H CA 0.539 56.545 56.048 -0.069 0.000 1.195 974 H CB -0.088 29.627 29.762 -0.078 0.000 1.368 974 H HN 0.298 nan 8.280 nan 0.000 0.592 975 L N 0.830 121.646 121.223 -0.679 0.000 2.607 975 L HA 0.226 4.573 4.340 0.012 0.000 0.228 975 L C 0.639 177.341 176.870 -0.280 0.000 1.123 975 L CA -0.123 54.396 54.840 -0.535 0.000 0.890 975 L CB 0.206 41.937 42.059 -0.546 0.000 1.103 975 L HN 0.078 nan 8.230 nan 0.000 0.468 976 L N 0.834 121.882 121.223 -0.292 0.000 2.417 976 L HA 0.151 4.498 4.340 0.012 0.000 0.268 976 L C 0.135 176.920 176.870 -0.141 0.000 1.158 976 L CA -0.096 54.523 54.840 -0.367 0.000 0.819 976 L CB 0.499 42.144 42.059 -0.690 0.000 1.112 976 L HN 0.212 nan 8.230 nan 0.000 0.458 977 H N 1.682 120.767 119.070 0.025 0.000 2.667 977 H HA 0.582 5.145 4.556 0.012 0.000 0.353 977 H C -0.746 174.700 175.328 0.197 0.000 1.072 977 H CA -1.229 54.878 56.048 0.097 0.000 1.214 977 H CB 1.286 31.061 29.762 0.021 0.000 1.600 977 H HN 0.681 nan 8.280 nan 0.000 0.527 978 A N 3.746 126.715 122.820 0.248 0.000 2.540 978 A HA 0.078 4.406 4.320 0.012 0.000 0.239 978 A C 0.367 178.035 177.584 0.139 0.000 1.061 978 A CA -0.159 51.889 52.037 0.017 0.000 0.758 978 A CB 0.053 19.009 19.000 -0.074 0.000 0.991 978 A HN 0.857 nan 8.150 nan 0.000 0.502 979 E N 0.684 120.948 120.200 0.108 0.000 2.322 979 E HA 0.253 4.610 4.350 0.012 0.000 0.257 979 E C -0.015 176.629 176.600 0.072 0.000 1.155 979 E CA -0.644 55.869 56.400 0.188 0.000 0.936 979 E CB 0.718 30.614 29.700 0.326 0.000 1.130 979 E HN 0.807 nan 8.360 nan 0.000 0.465 980 E N 0.189 120.421 120.200 0.053 0.000 2.373 980 E HA 0.258 4.616 4.350 0.012 0.000 0.267 980 E C 0.334 176.888 176.600 -0.077 0.000 1.032 980 E CA 0.457 56.847 56.400 -0.015 0.000 0.889 980 E CB 0.369 30.057 29.700 -0.020 0.000 0.984 980 E HN 0.656 nan 8.360 nan 0.000 0.425 981 G N 2.512 111.269 108.800 -0.072 0.000 2.645 981 G HA2 -0.220 3.748 3.960 0.012 0.000 0.239 981 G HA3 -0.220 3.748 3.960 0.012 0.000 0.239 981 G C -0.622 174.213 174.900 -0.108 0.000 1.331 981 G CA -0.160 44.880 45.100 -0.101 0.000 0.890 981 G HN 0.696 nan 8.290 nan 0.000 0.572 982 T N 0.192 114.661 114.554 -0.142 0.000 2.879 982 T HA 0.498 4.856 4.350 0.012 0.000 0.290 982 T C -0.709 173.853 174.700 -0.231 0.000 0.993 982 T CA -0.187 61.840 62.100 -0.122 0.000 0.975 982 T CB 1.322 70.191 68.868 0.002 0.000 0.981 982 T HN 0.569 nan 8.240 nan 0.000 0.439 983 W N 3.278 124.484 121.300 -0.157 0.000 2.311 983 W HA 0.583 5.251 4.660 0.012 0.000 0.310 983 W C -0.195 176.191 176.519 -0.222 0.000 1.274 983 W CA -0.668 56.582 57.345 -0.158 0.000 1.215 983 W CB 0.674 30.055 29.460 -0.132 0.000 1.227 983 W HN 0.388 nan 8.180 nan 0.000 0.523 984 L N 5.476 126.699 121.223 -0.000 0.000 2.356 984 L HA 0.533 4.881 4.340 0.012 0.000 0.277 984 L C -1.055 175.721 176.870 -0.156 0.000 0.996 984 L CA -0.481 54.236 54.840 -0.205 0.000 0.822 984 L CB 1.018 42.801 42.059 -0.460 0.000 1.256 984 L HN 0.314 nan 8.230 nan 0.000 0.413 985 N N 6.870 125.464 118.700 -0.177 0.000 2.442 985 N HA 0.495 5.242 4.740 0.012 0.000 0.274 985 N C -1.311 174.060 175.510 -0.232 0.000 1.002 985 N CA -0.237 52.710 53.050 -0.173 0.000 0.910 985 N CB 2.327 40.739 38.487 -0.126 0.000 1.244 985 N HN 0.564 nan 8.380 nan 0.000 0.492 986 I N 1.788 122.178 120.570 -0.301 0.000 2.410 986 I HA 0.228 4.405 4.170 0.012 0.000 0.286 986 I C -0.768 175.165 176.117 -0.307 0.000 1.009 986 I CA -0.602 60.486 61.300 -0.353 0.000 1.111 986 I CB 1.785 39.400 38.000 -0.641 0.000 1.262 986 I HN 0.165 nan 8.210 nan 0.000 0.443 987 D N 4.432 124.687 120.400 -0.241 0.000 2.192 987 D HA 0.298 4.946 4.640 0.012 0.000 0.246 987 D C 0.991 177.000 176.300 -0.485 0.000 1.042 987 D CA -0.177 53.618 54.000 -0.341 0.000 0.847 987 D CB 2.463 43.163 40.800 -0.167 0.000 1.186 987 D HN 0.699 nan 8.370 nan 0.000 0.461 988 G N 1.154 109.376 108.800 -0.964 0.000 2.403 988 G HA2 -0.017 3.951 3.960 0.012 0.000 0.216 988 G HA3 -0.017 3.951 3.960 0.012 0.000 0.216 988 G C 0.074 174.217 174.900 -1.262 0.000 1.154 988 G CA 0.571 44.987 45.100 -1.139 0.000 0.784 988 G HN 0.373 nan 8.290 nan 0.000 0.538 989 F N -2.083 117.676 119.950 -0.318 0.000 2.601 989 F HA 0.604 5.138 4.527 0.012 0.000 0.309 989 F C -0.575 175.125 175.800 -0.166 0.000 1.089 989 F CA -1.189 56.700 58.000 -0.186 0.000 0.940 989 F CB 2.155 40.960 39.000 -0.324 0.000 1.273 989 F HN 0.042 nan 8.300 nan 0.000 0.450 990 H N 1.873 120.937 119.070 -0.009 0.000 2.865 990 H HA 0.529 5.092 4.556 0.012 0.000 0.362 990 H C -0.813 174.535 175.328 0.033 0.000 1.114 990 H CA -0.861 55.163 56.048 -0.040 0.000 1.208 990 H CB 1.814 31.541 29.762 -0.058 0.000 1.727 990 H HN 0.782 nan 8.280 nan 0.000 0.534 991 M N 3.460 122.997 119.600 -0.106 0.000 2.232 991 M HA 0.301 4.788 4.480 0.012 0.000 0.321 991 M C 0.445 176.858 176.300 0.190 0.000 1.101 991 M CA 0.403 55.720 55.300 0.028 0.000 1.181 991 M CB 0.396 32.912 32.600 -0.139 0.000 1.432 991 M HN 0.818 nan 8.290 nan 0.000 0.457 992 G N 2.473 111.368 108.800 0.157 0.000 2.667 992 G HA2 0.306 4.273 3.960 0.012 0.000 0.250 992 G HA3 0.306 4.273 3.960 0.012 0.000 0.250 992 G C 0.581 175.474 174.900 -0.011 0.000 1.212 992 G CA -0.389 44.746 45.100 0.059 0.000 0.874 992 G HN 0.977 nan 8.290 nan 0.000 0.561 993 I N -1.665 118.849 120.570 -0.094 0.000 3.645 993 I HA 0.415 4.592 4.170 0.012 0.000 0.300 993 I C 1.173 177.222 176.117 -0.113 0.000 1.260 993 I CA 0.417 61.618 61.300 -0.164 0.000 1.365 993 I CB -0.585 37.215 38.000 -0.335 0.000 1.077 993 I HN 0.934 nan 8.210 nan 0.000 0.439 994 G N 1.470 110.228 108.800 -0.070 0.000 2.698 994 G HA2 0.058 4.026 3.960 0.012 0.000 0.233 994 G HA3 0.058 4.026 3.960 0.012 0.000 0.233 994 G C 0.505 175.397 174.900 -0.013 0.000 1.352 994 G CA 0.018 45.110 45.100 -0.013 0.000 0.879 994 G HN 1.322 nan 8.290 nan 0.000 0.567 995 G N -2.319 106.489 108.800 0.013 0.000 2.559 995 G HA2 0.015 3.982 3.960 0.012 0.000 0.202 995 G HA3 0.015 3.982 3.960 0.012 0.000 0.202 995 G C 0.654 175.615 174.900 0.100 0.000 0.992 995 G CA 0.951 46.071 45.100 0.034 0.000 0.764 995 G HN 0.962 nan 8.290 nan 0.000 0.525 996 D N 1.259 121.735 120.400 0.126 0.000 2.190 996 D HA 0.085 4.732 4.640 0.012 0.000 0.200 996 D C 1.034 177.363 176.300 0.048 0.000 0.992 996 D CA 2.092 56.227 54.000 0.225 0.000 0.854 996 D CB 0.148 41.080 40.800 0.220 0.000 0.936 996 D HN 0.818 nan 8.370 nan 0.000 0.462 997 D N -3.486 116.746 120.400 -0.280 0.000 2.665 997 D HA 0.326 4.974 4.640 0.012 0.000 0.287 997 D C -0.765 175.049 176.300 -0.810 0.000 1.266 997 D CA -0.725 52.697 54.000 -0.963 0.000 0.830 997 D CB 0.830 40.489 40.800 -1.902 0.000 1.356 997 D HN -0.304 nan 8.370 nan 0.000 0.437 998 S N -0.782 114.284 115.700 -1.057 0.000 2.741 998 S HA 0.247 4.724 4.470 0.012 0.000 0.247 998 S C -0.629 173.997 174.600 0.042 0.000 1.050 998 S CA -0.655 57.396 58.200 -0.249 0.000 1.025 998 S CB -0.425 62.861 63.200 0.143 0.000 0.897 998 S HN 0.619 nan 8.310 nan 0.000 0.508 999 W N 0.880 122.109 121.300 -0.119 0.000 2.079 999 W HA 0.512 5.179 4.660 0.012 0.000 0.285 999 W C -0.047 176.410 176.519 -0.103 0.000 0.891 999 W CA -0.475 56.804 57.345 -0.110 0.000 1.308 999 W CB -0.445 28.874 29.460 -0.235 0.000 1.047 999 W HN 0.159 nan 8.180 nan 0.000 0.522 1000 S N -0.773 114.780 115.700 -0.245 0.000 2.556 1000 S HA 0.653 5.131 4.470 0.012 0.000 0.271 1000 S C -3.053 171.463 174.600 -0.139 0.000 1.135 1000 S CA -1.714 56.398 58.200 -0.148 0.000 0.858 1000 S CB 1.904 65.036 63.200 -0.113 0.000 1.114 1000 S HN -0.246 nan 8.310 nan 0.000 0.468 1001 P HA 0.198 nan 4.420 nan 0.000 0.264 1001 P C 0.322 177.649 177.300 0.045 0.000 1.193 1001 P CA -0.052 63.043 63.100 -0.009 0.000 0.763 1001 P CB 0.649 32.227 31.700 -0.203 0.000 0.810 1002 S N 0.240 116.008 115.700 0.114 0.000 2.847 1002 S HA 0.141 4.618 4.470 0.012 0.000 0.254 1002 S C 0.161 174.843 174.600 0.137 0.000 1.039 1002 S CA -0.342 57.904 58.200 0.076 0.000 1.113 1002 S CB -0.350 62.847 63.200 -0.006 0.000 1.092 1002 S HN 0.109 nan 8.310 nan 0.000 0.620 1003 V N 2.856 122.899 119.914 0.216 0.000 2.470 1003 V HA 0.358 4.486 4.120 0.012 0.000 0.276 1003 V C 0.853 177.098 176.094 0.251 0.000 1.040 1003 V CA -0.190 62.227 62.300 0.195 0.000 1.008 1003 V CB 1.020 32.915 31.823 0.119 0.000 0.990 1003 V HN 0.527 nan 8.190 nan 0.000 0.477 1004 S N 3.943 119.801 115.700 0.265 0.000 2.572 1004 S HA 0.322 4.799 4.470 0.012 0.000 0.279 1004 S C 1.531 176.271 174.600 0.235 0.000 1.341 1004 S CA 0.038 58.386 58.200 0.246 0.000 1.043 1004 S CB 1.173 64.547 63.200 0.290 0.000 0.887 1004 S HN 0.992 nan 8.310 nan 0.000 0.516 1005 A N 3.345 126.262 122.820 0.162 0.000 1.948 1005 A HA -0.156 4.171 4.320 0.012 0.000 0.220 1005 A C 1.984 179.606 177.584 0.062 0.000 1.177 1005 A CA 1.911 54.030 52.037 0.136 0.000 0.636 1005 A CB -0.664 18.396 19.000 0.100 0.000 0.815 1005 A HN 0.955 nan 8.150 nan 0.000 0.449 1006 E N -1.154 119.021 120.200 -0.043 0.000 2.478 1006 E HA -0.095 4.262 4.350 0.012 0.000 0.198 1006 E C 0.530 176.912 176.600 -0.363 0.000 1.046 1006 E CA 0.628 56.892 56.400 -0.225 0.000 0.870 1006 E CB -0.360 29.124 29.700 -0.360 0.000 0.818 1006 E HN 0.636 nan 8.360 nan 0.000 0.527 1007 F N 1.223 121.226 119.950 0.089 0.000 2.661 1007 F HA 0.290 4.824 4.527 0.012 0.000 0.306 1007 F C 0.736 176.578 175.800 0.071 0.000 1.094 1007 F CA -0.391 57.663 58.000 0.089 0.000 1.254 1007 F CB 0.445 39.498 39.000 0.088 0.000 1.040 1007 F HN -0.170 nan 8.300 nan 0.000 0.562 1008 Q N 1.046 120.956 119.800 0.183 0.000 2.235 1008 Q HA 0.410 4.757 4.340 0.012 0.000 0.250 1008 Q C -0.175 175.862 176.000 0.060 0.000 0.909 1008 Q CA -0.476 55.413 55.803 0.144 0.000 0.910 1008 Q CB 1.782 30.695 28.738 0.292 0.000 1.223 1008 Q HN 0.222 nan 8.270 nan 0.000 0.432 1009 L N 2.476 123.722 121.223 0.038 0.000 2.384 1009 L HA 0.100 4.447 4.340 0.012 0.000 0.258 1009 L C 0.433 177.264 176.870 -0.064 0.000 1.266 1009 L CA -0.063 54.790 54.840 0.022 0.000 1.162 1009 L CB -0.404 41.566 42.059 -0.149 0.000 1.375 1009 L HN 0.674 nan 8.230 nan 0.000 0.420 1010 S N -1.245 114.308 115.700 -0.245 0.000 2.601 1010 S HA 0.200 4.677 4.470 0.012 0.000 0.244 1010 S C 1.529 176.042 174.600 -0.144 0.000 1.001 1010 S CA 0.088 57.966 58.200 -0.536 0.000 0.984 1010 S CB 0.842 63.542 63.200 -0.834 0.000 0.842 1010 S HN 0.518 nan 8.310 nan 0.000 0.474 1011 A N 1.464 124.240 122.820 -0.074 0.000 2.121 1011 A HA 0.441 4.768 4.320 0.012 0.000 0.218 1011 A C 2.116 179.545 177.584 -0.259 0.000 1.154 1011 A CA 1.190 53.050 52.037 -0.295 0.000 0.679 1011 A CB -1.222 17.367 19.000 -0.685 0.000 0.795 1011 A HN 1.465 nan 8.150 nan 0.000 0.458 1012 G N -1.284 107.467 108.800 -0.082 0.000 2.708 1012 G HA2 -0.312 3.656 3.960 0.012 0.000 0.229 1012 G HA3 -0.312 3.656 3.960 0.012 0.000 0.229 1012 G C 0.486 175.366 174.900 -0.034 0.000 1.236 1012 G CA 0.527 45.626 45.100 -0.002 0.000 0.749 1012 G HN 0.690 nan 8.290 nan 0.000 0.515 1013 R N -0.464 119.887 120.500 -0.248 0.000 2.534 1013 R HA 0.703 5.050 4.340 0.012 0.000 0.301 1013 R C -1.514 174.511 176.300 -0.460 0.000 0.961 1013 R CA -0.578 55.416 56.100 -0.175 0.000 0.871 1013 R CB 1.464 31.706 30.300 -0.096 0.000 1.170 1013 R HN 0.255 nan 8.270 nan 0.000 0.446 1014 Y N 0.419 120.695 120.300 -0.040 0.000 2.477 1014 Y HA 0.333 4.890 4.550 0.012 0.000 0.347 1014 Y C -0.520 175.483 175.900 0.172 0.000 0.981 1014 Y CA -0.785 57.232 58.100 -0.137 0.000 1.033 1014 Y CB 2.118 40.367 38.460 -0.351 0.000 1.245 1014 Y HN 0.585 nan 8.280 nan 0.000 0.455 1015 H N 2.886 122.178 119.070 0.370 0.000 2.679 1015 H HA 0.613 5.176 4.556 0.012 0.000 0.360 1015 H C -1.758 173.968 175.328 0.663 0.000 1.105 1015 H CA -0.843 55.443 56.048 0.396 0.000 1.196 1015 H CB 1.109 31.009 29.762 0.229 0.000 1.636 1015 H HN 0.535 nan 8.280 nan 0.000 0.531 1016 Y N 1.574 121.738 120.300 -0.227 0.000 2.625 1016 Y HA 0.513 5.071 4.550 0.012 0.000 0.338 1016 Y C -1.686 174.040 175.900 -0.290 0.000 1.123 1016 Y CA -1.136 56.895 58.100 -0.114 0.000 1.046 1016 Y CB 1.520 40.012 38.460 0.055 0.000 1.299 1016 Y HN 0.761 nan 8.280 nan 0.000 0.464 1017 Q N 2.105 121.924 119.800 0.032 0.000 2.309 1017 Q HA 0.732 5.080 4.340 0.012 0.000 0.273 1017 Q C -2.421 173.677 176.000 0.163 0.000 1.040 1017 Q CA -0.760 55.044 55.803 0.001 0.000 0.834 1017 Q CB 2.695 31.473 28.738 0.067 0.000 1.345 1017 Q HN 0.955 nan 8.270 nan 0.000 0.414 1018 L N 2.042 123.347 121.223 0.137 0.000 2.393 1018 L HA 0.708 5.055 4.340 0.012 0.000 0.260 1018 L C -1.035 175.963 176.870 0.213 0.000 1.002 1018 L CA -1.062 53.899 54.840 0.203 0.000 0.818 1018 L CB 2.556 44.719 42.059 0.173 0.000 1.369 1018 L HN 0.383 nan 8.230 nan 0.000 0.412 1019 V N 0.788 120.850 119.914 0.247 0.000 2.448 1019 V HA 0.395 4.522 4.120 0.012 0.000 0.295 1019 V C -1.267 175.008 176.094 0.303 0.000 1.025 1019 V CA -0.427 62.023 62.300 0.250 0.000 0.859 1019 V CB 2.023 33.967 31.823 0.202 0.000 0.988 1019 V HN 0.608 nan 8.190 nan 0.000 0.431 1020 W N 7.086 128.459 121.300 0.122 0.000 2.417 1020 W HA 0.694 5.361 4.660 0.013 0.000 0.315 1020 W C -0.208 176.321 176.519 0.016 0.000 1.045 1020 W CA -1.118 56.224 57.345 -0.004 0.000 1.221 1020 W CB 1.330 30.853 29.460 0.104 0.000 1.309 1020 W HN 0.874 nan 8.180 nan 0.000 0.453 1021 C N 4.296 123.804 119.300 0.347 0.000 3.321 1021 C HA 0.727 5.194 4.460 0.012 0.000 0.363 1021 C C -0.303 174.792 174.990 0.175 0.000 1.705 1021 C CA -0.657 58.520 59.018 0.264 0.000 1.298 1021 C CB 1.782 29.626 27.740 0.174 0.000 2.086 1021 C HN 0.751 nan 8.230 nan 0.000 0.438 1022 Q N 0.795 120.654 119.800 0.099 0.000 2.990 1022 Q HA 0.835 5.183 4.340 0.012 0.000 0.255 1022 Q C -1.433 174.561 176.000 -0.011 0.000 1.040 1022 Q CA -0.383 55.424 55.803 0.007 0.000 0.897 1022 Q CB 2.118 30.840 28.738 -0.027 0.000 1.429 1022 Q HN 0.963 nan 8.270 nan 0.000 0.497 1023 K N 0.000 120.372 120.400 -0.046 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 1023 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543