REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jz5_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.114 176.300 -0.310 0.000 0.893 13 R CA 0.000 55.977 56.100 -0.204 0.000 0.921 13 R CB 0.000 30.178 30.300 -0.203 0.000 0.687 14 R N 1.858 122.073 120.500 -0.474 0.000 3.225 14 R HA -0.172 4.182 4.340 0.023 0.000 0.245 14 R C -0.188 175.628 176.300 -0.805 0.000 0.928 14 R CA 0.910 56.362 56.100 -1.079 0.000 0.632 14 R CB -1.299 28.394 30.300 -1.013 0.000 1.038 14 R HN 0.274 nan 8.270 nan 0.000 0.461 15 D N -0.008 120.117 120.400 -0.459 0.000 2.265 15 D HA -0.188 4.466 4.640 0.023 0.000 0.208 15 D C 1.554 177.789 176.300 -0.108 0.000 0.977 15 D CA 1.733 55.527 54.000 -0.344 0.000 0.871 15 D CB -0.124 40.278 40.800 -0.663 0.000 0.925 15 D HN 0.750 nan 8.370 nan 0.000 0.485 16 W N 1.354 122.664 121.300 0.018 0.000 3.377 16 W HA 0.244 4.918 4.660 0.023 0.000 0.277 16 W C 0.221 176.831 176.519 0.153 0.000 1.311 16 W CA -0.372 57.082 57.345 0.182 0.000 1.703 16 W CB -0.247 29.365 29.460 0.252 0.000 1.095 16 W HN -0.211 nan 8.180 nan 0.000 0.715 17 E N 1.431 121.548 120.200 -0.138 0.000 3.729 17 E HA 0.048 4.412 4.350 0.023 0.000 0.195 17 E C -0.892 175.587 176.600 -0.202 0.000 1.005 17 E CA -0.233 56.100 56.400 -0.111 0.000 1.356 17 E CB -0.167 29.446 29.700 -0.145 0.000 1.138 17 E HN 0.054 nan 8.360 nan 0.000 0.450 18 N N 1.060 119.669 118.700 -0.152 0.000 2.699 18 N HA 0.114 4.868 4.740 0.023 0.000 0.271 18 N C -2.412 172.968 175.510 -0.217 0.000 1.216 18 N CA -1.687 51.232 53.050 -0.219 0.000 0.844 18 N CB 1.486 39.857 38.487 -0.194 0.000 1.462 18 N HN -0.159 nan 8.380 nan 0.000 0.555 19 P HA 0.060 nan 4.420 nan 0.000 0.226 19 P C 1.082 178.152 177.300 -0.384 0.000 1.153 19 P CA 0.691 63.468 63.100 -0.538 0.000 0.777 19 P CB 0.145 31.012 31.700 -1.389 0.000 0.794 20 G N -0.426 108.189 108.800 -0.308 0.000 2.813 20 G HA2 0.068 4.042 3.960 0.023 0.000 0.209 20 G HA3 0.068 4.042 3.960 0.023 0.000 0.209 20 G C 0.304 175.129 174.900 -0.125 0.000 1.150 20 G CA 0.141 45.114 45.100 -0.212 0.000 0.785 20 G HN 0.207 nan 8.290 nan 0.000 0.535 21 V N 1.764 121.620 119.914 -0.096 0.000 2.305 21 V HA 0.255 4.389 4.120 0.023 0.000 0.275 21 V C 0.901 177.050 176.094 0.092 0.000 1.020 21 V CA 0.105 62.399 62.300 -0.011 0.000 0.811 21 V CB 1.057 32.856 31.823 -0.040 0.000 1.031 21 V HN 0.331 nan 8.190 nan 0.000 0.439 22 T N 0.582 115.187 114.554 0.085 0.000 3.040 22 T HA 0.358 4.722 4.350 0.023 0.000 0.250 22 T C 0.296 175.054 174.700 0.096 0.000 1.058 22 T CA 0.147 62.304 62.100 0.096 0.000 0.988 22 T CB 0.285 69.160 68.868 0.012 0.000 0.993 22 T HN 0.689 nan 8.240 nan 0.000 0.519 23 Q N 0.063 119.971 119.800 0.180 0.000 2.776 23 Q HA 0.669 5.023 4.340 0.023 0.000 0.289 23 Q C -2.319 173.833 176.000 0.253 0.000 0.912 23 Q CA -1.041 54.865 55.803 0.172 0.000 0.789 23 Q CB 0.725 29.465 28.738 0.004 0.000 1.498 23 Q HN 0.216 nan 8.270 nan 0.000 0.408 24 L N 1.516 122.915 121.223 0.294 0.000 2.505 24 L HA 0.594 4.948 4.340 0.023 0.000 0.266 24 L C -0.604 176.411 176.870 0.242 0.000 0.954 24 L CA -0.835 54.177 54.840 0.286 0.000 0.852 24 L CB 2.022 44.365 42.059 0.474 0.000 1.282 24 L HN 0.856 nan 8.230 nan 0.000 0.403 25 N N 0.864 119.667 118.700 0.172 0.000 2.753 25 N HA -0.216 4.538 4.740 0.023 0.000 0.251 25 N C 0.209 175.816 175.510 0.161 0.000 1.097 25 N CA 0.918 54.060 53.050 0.153 0.000 0.786 25 N CB -0.769 37.764 38.487 0.077 0.000 1.137 25 N HN 0.662 nan 8.380 nan 0.000 0.566 26 R N 0.984 121.490 120.500 0.011 0.000 2.490 26 R HA 0.388 4.742 4.340 0.023 0.000 0.280 26 R C 0.494 176.641 176.300 -0.255 0.000 1.077 26 R CA -0.342 55.498 56.100 -0.433 0.000 1.065 26 R CB 0.546 30.564 30.300 -0.470 0.000 1.003 26 R HN 0.122 nan 8.270 nan 0.000 0.470 27 L N 2.805 123.853 121.223 -0.292 0.000 2.466 27 L HA 0.325 4.679 4.340 0.023 0.000 0.257 27 L C 0.628 177.437 176.870 -0.102 0.000 1.189 27 L CA -0.611 54.156 54.840 -0.121 0.000 0.813 27 L CB 0.899 42.919 42.059 -0.066 0.000 1.118 27 L HN 0.801 nan 8.230 nan 0.000 0.471 28 A N 1.232 124.034 122.820 -0.030 0.000 2.483 28 A HA 0.480 4.814 4.320 0.023 0.000 0.238 28 A C 0.266 177.834 177.584 -0.027 0.000 1.070 28 A CA 0.026 52.050 52.037 -0.022 0.000 0.770 28 A CB 0.174 19.191 19.000 0.028 0.000 1.008 28 A HN 0.782 nan 8.150 nan 0.000 0.497 29 A N 1.275 124.033 122.820 -0.104 0.000 2.332 29 A HA 0.688 5.022 4.320 0.023 0.000 0.258 29 A C 0.093 177.556 177.584 -0.203 0.000 1.087 29 A CA 0.464 52.358 52.037 -0.239 0.000 0.802 29 A CB -0.030 18.838 19.000 -0.220 0.000 1.042 29 A HN 1.931 nan 8.150 nan 0.000 0.489 30 H N -2.395 116.515 119.070 -0.266 0.000 2.950 30 H HA 0.633 5.203 4.556 0.023 0.000 0.307 30 H C -3.419 171.627 175.328 -0.470 0.000 1.403 30 H CA -1.849 53.978 56.048 -0.368 0.000 1.145 30 H CB -0.014 29.431 29.762 -0.527 0.000 1.844 30 H HN 0.374 nan 8.280 nan 0.000 0.515 31 P HA 0.200 nan 4.420 nan 0.000 0.272 31 P C -2.574 174.601 177.300 -0.208 0.000 1.240 31 P CA -1.335 61.592 63.100 -0.289 0.000 0.791 31 P CB -0.307 31.146 31.700 -0.412 0.000 0.978 32 P HA 0.033 nan 4.420 nan 0.000 0.261 32 P C -0.737 176.753 177.300 0.315 0.000 1.183 32 P CA 1.169 64.315 63.100 0.077 0.000 0.761 32 P CB -0.156 31.625 31.700 0.135 0.000 0.785 33 F N 1.353 121.397 119.950 0.156 0.000 2.575 33 F HA 0.617 5.158 4.527 0.023 0.000 0.330 33 F C 1.016 176.745 175.800 -0.119 0.000 1.056 33 F CA -1.067 56.966 58.000 0.054 0.000 0.964 33 F CB 2.136 41.113 39.000 -0.038 0.000 1.258 33 F HN 0.198 nan 8.300 nan 0.000 0.484 34 A N 0.128 122.885 122.820 -0.104 0.000 2.664 34 A HA 0.244 4.578 4.320 0.023 0.000 0.222 34 A C 0.590 177.894 177.584 -0.466 0.000 1.320 34 A CA 0.454 52.204 52.037 -0.479 0.000 1.029 34 A CB -0.099 18.178 19.000 -1.206 0.000 1.318 34 A HN 0.762 nan 8.150 nan 0.000 0.589 35 S N 0.399 115.926 115.700 -0.288 0.000 3.559 35 S HA -0.150 4.334 4.470 0.023 0.000 0.369 35 S C 0.072 174.607 174.600 -0.109 0.000 0.987 35 S CA 0.490 58.575 58.200 -0.191 0.000 1.187 35 S CB -1.631 61.463 63.200 -0.178 0.000 0.914 35 S HN 0.485 nan 8.310 nan 0.000 0.480 36 W N 1.119 122.398 121.300 -0.035 0.000 2.148 36 W HA 0.218 4.892 4.660 0.023 0.000 0.347 36 W C 1.359 177.854 176.519 -0.040 0.000 1.288 36 W CA -0.482 56.847 57.345 -0.026 0.000 1.252 36 W CB 0.186 29.631 29.460 -0.026 0.000 1.156 36 W HN 0.302 nan 8.180 nan 0.000 0.580 37 R N 1.716 122.346 120.500 0.216 0.000 2.577 37 R HA 0.084 4.438 4.340 0.023 0.000 0.344 37 R C -0.125 176.229 176.300 0.089 0.000 1.037 37 R CA -0.127 56.038 56.100 0.108 0.000 1.102 37 R CB -0.241 30.092 30.300 0.055 0.000 1.313 37 R HN 0.369 nan 8.270 nan 0.000 0.561 38 N N 0.029 118.793 118.700 0.107 0.000 2.454 38 N HA 0.105 4.859 4.740 0.023 0.000 0.291 38 N C -0.075 175.393 175.510 -0.071 0.000 1.079 38 N CA -0.000 53.059 53.050 0.016 0.000 0.893 38 N CB 1.779 40.275 38.487 0.015 0.000 1.512 38 N HN -0.247 nan 8.380 nan 0.000 0.497 39 S N 2.392 118.031 115.700 -0.100 0.000 2.399 39 S HA -0.171 4.313 4.470 0.023 0.000 0.231 39 S C 1.404 175.817 174.600 -0.312 0.000 1.022 39 S CA 1.152 59.244 58.200 -0.179 0.000 0.983 39 S CB 0.000 63.120 63.200 -0.133 0.000 0.803 39 S HN 0.769 nan 8.310 nan 0.000 0.480 40 E N 1.670 121.703 120.200 -0.279 0.000 2.150 40 E HA -0.129 4.235 4.350 0.023 0.000 0.193 40 E C 1.853 178.217 176.600 -0.393 0.000 0.985 40 E CA 1.050 57.244 56.400 -0.343 0.000 0.814 40 E CB -0.131 29.425 29.700 -0.239 0.000 0.752 40 E HN 0.345 nan 8.360 nan 0.000 0.466 41 E N 0.113 120.089 120.200 -0.373 0.000 2.106 41 E HA -0.116 4.248 4.350 0.023 0.000 0.192 41 E C 1.991 177.948 176.600 -1.071 0.000 0.984 41 E CA 1.031 57.158 56.400 -0.454 0.000 0.806 41 E CB -0.328 29.257 29.700 -0.192 0.000 0.750 41 E HN 0.396 nan 8.360 nan 0.000 0.458 42 A N 1.657 123.678 122.820 -1.332 0.000 1.898 42 A HA -0.171 4.163 4.320 0.023 0.000 0.216 42 A C 2.222 179.171 177.584 -1.058 0.000 1.181 42 A CA 1.430 52.295 52.037 -1.953 0.000 0.620 42 A CB -0.470 17.966 19.000 -0.939 0.000 0.819 42 A HN 0.097 nan 8.150 nan 0.000 0.442 43 R N -0.160 119.925 120.500 -0.691 0.000 2.091 43 R HA -0.146 4.208 4.340 0.023 0.000 0.238 43 R C 2.093 178.136 176.300 -0.428 0.000 1.136 43 R CA 2.159 57.926 56.100 -0.556 0.000 0.959 43 R CB -0.485 29.366 30.300 -0.749 0.000 0.856 43 R HN 0.647 nan 8.270 nan 0.000 0.437 44 T N -2.561 111.744 114.554 -0.415 0.000 3.113 44 T HA -0.009 4.355 4.350 0.023 0.000 0.256 44 T C 0.389 174.999 174.700 -0.151 0.000 1.131 44 T CA 0.661 62.614 62.100 -0.245 0.000 1.074 44 T CB -0.004 68.748 68.868 -0.193 0.000 0.944 44 T HN 0.376 nan 8.240 nan 0.000 0.516 45 D N 0.616 120.880 120.400 -0.227 0.000 2.907 45 D HA -0.151 4.503 4.640 0.023 0.000 0.226 45 D C 0.028 176.456 176.300 0.214 0.000 1.141 45 D CA 0.375 54.405 54.000 0.050 0.000 0.779 45 D CB -1.253 39.618 40.800 0.120 0.000 1.095 45 D HN 0.573 nan 8.370 nan 0.000 0.430 46 R N -0.072 120.527 120.500 0.164 0.000 2.546 46 R HA 0.547 4.901 4.340 0.023 0.000 0.266 46 R C -2.137 174.420 176.300 0.428 0.000 1.086 46 R CA -1.475 54.761 56.100 0.227 0.000 1.160 46 R CB 0.372 30.747 30.300 0.124 0.000 1.138 46 R HN 0.033 nan 8.270 nan 0.000 0.567 47 P HA -0.037 nan 4.420 nan 0.000 0.266 47 P C -0.916 176.539 177.300 0.259 0.000 1.195 47 P CA 0.253 63.492 63.100 0.231 0.000 0.768 47 P CB 0.846 32.633 31.700 0.144 0.000 0.838 48 S N 1.808 117.556 115.700 0.079 0.000 2.475 48 S HA 0.130 4.614 4.470 0.023 0.000 0.298 48 S C 0.939 175.555 174.600 0.027 0.000 1.119 48 S CA -0.520 57.654 58.200 -0.043 0.000 1.085 48 S CB 0.484 63.355 63.200 -0.548 0.000 1.028 48 S HN 0.223 nan 8.310 nan 0.000 0.489 49 Q N 2.586 122.437 119.800 0.085 0.000 2.436 49 Q HA 0.008 4.362 4.340 0.023 0.000 0.209 49 Q C 0.770 176.876 176.000 0.178 0.000 0.965 49 Q CA 1.052 56.937 55.803 0.136 0.000 0.910 49 Q CB -0.093 28.727 28.738 0.138 0.000 0.980 49 Q HN 0.691 nan 8.270 nan 0.000 0.491 50 Q N -0.314 119.508 119.800 0.038 0.000 2.320 50 Q HA 0.152 4.506 4.340 0.023 0.000 0.201 50 Q C -0.415 175.633 176.000 0.079 0.000 0.910 50 Q CA 0.052 55.828 55.803 -0.044 0.000 0.946 50 Q CB 0.406 29.024 28.738 -0.200 0.000 1.062 50 Q HN 0.019 nan 8.270 nan 0.000 0.503 51 L N 0.671 121.967 121.223 0.122 0.000 2.377 51 L HA 0.456 4.810 4.340 0.023 0.000 0.270 51 L C -1.174 175.797 176.870 0.168 0.000 0.991 51 L CA -0.430 54.481 54.840 0.119 0.000 0.851 51 L CB 1.012 43.050 42.059 -0.035 0.000 1.218 51 L HN -0.094 nan 8.230 nan 0.000 0.420 52 R N 2.344 122.975 120.500 0.218 0.000 2.604 52 R HA 0.597 4.951 4.340 0.023 0.000 0.287 52 R C -0.371 175.950 176.300 0.035 0.000 0.970 52 R CA -0.675 55.485 56.100 0.100 0.000 0.946 52 R CB 1.918 32.230 30.300 0.022 0.000 1.127 52 R HN 0.668 nan 8.270 nan 0.000 0.473 53 S N 2.110 117.821 115.700 0.018 0.000 2.537 53 S HA 0.221 4.705 4.470 0.023 0.000 0.275 53 S C 0.616 175.210 174.600 -0.011 0.000 1.272 53 S CA -0.606 57.594 58.200 -0.000 0.000 1.050 53 S CB 0.471 63.681 63.200 0.017 0.000 0.961 53 S HN 0.566 nan 8.310 nan 0.000 0.496 54 L N 3.642 124.854 121.223 -0.017 0.000 2.818 54 L HA 0.291 4.645 4.340 0.023 0.000 0.243 54 L C 0.226 177.229 176.870 0.221 0.000 1.185 54 L CA -0.402 54.452 54.840 0.023 0.000 0.988 54 L CB -0.304 41.715 42.059 -0.067 0.000 1.292 54 L HN 0.532 nan 8.230 nan 0.000 0.519 55 N N 1.180 119.950 118.700 0.116 0.000 2.453 55 N HA 0.457 5.211 4.740 0.023 0.000 0.253 55 N C 0.682 176.296 175.510 0.174 0.000 1.252 55 N CA 1.043 54.160 53.050 0.110 0.000 0.917 55 N CB 1.237 39.734 38.487 0.016 0.000 1.117 55 N HN 0.296 nan 8.380 nan 0.000 0.442 56 G N 0.434 109.347 108.800 0.188 0.000 2.240 56 G HA2 -0.098 3.876 3.960 0.023 0.000 0.199 56 G HA3 -0.098 3.876 3.960 0.023 0.000 0.199 56 G C -1.513 173.572 174.900 0.309 0.000 1.342 56 G CA -0.781 44.435 45.100 0.194 0.000 1.145 56 G HN 0.475 nan 8.290 nan 0.000 0.477 57 E N 0.268 120.637 120.200 0.282 0.000 2.152 57 E HA 0.443 4.807 4.350 0.023 0.000 0.285 57 E C -0.916 175.939 176.600 0.425 0.000 1.043 57 E CA -0.149 56.432 56.400 0.303 0.000 0.839 57 E CB 0.935 30.739 29.700 0.174 0.000 1.069 57 E HN 0.345 nan 8.360 nan 0.000 0.399 58 W N 1.711 123.105 121.300 0.157 0.000 2.804 58 W HA 0.393 5.067 4.660 0.023 0.000 0.352 58 W C 0.250 176.906 176.519 0.228 0.000 1.153 58 W CA -0.738 56.733 57.345 0.209 0.000 1.119 58 W CB 0.729 30.371 29.460 0.303 0.000 1.448 58 W HN 0.187 nan 8.180 nan 0.000 0.600 59 R N 1.375 122.155 120.500 0.466 0.000 2.428 59 R HA 0.572 4.926 4.340 0.023 0.000 0.294 59 R C -1.425 175.135 176.300 0.433 0.000 1.000 59 R CA -0.880 55.434 56.100 0.357 0.000 0.960 59 R CB 0.858 31.309 30.300 0.251 0.000 1.076 59 R HN 0.454 nan 8.270 nan 0.000 0.475 60 F N 0.308 120.311 119.950 0.089 0.000 2.596 60 F HA 0.611 5.152 4.527 0.023 0.000 0.311 60 F C -1.592 174.062 175.800 -0.244 0.000 1.116 60 F CA -0.610 57.304 58.000 -0.144 0.000 0.957 60 F CB 1.888 40.715 39.000 -0.289 0.000 1.250 60 F HN 0.618 nan 8.300 nan 0.000 0.444 61 A N 4.449 126.458 122.820 -1.351 0.000 2.449 61 A HA 0.621 4.955 4.320 0.023 0.000 0.302 61 A C -2.397 174.185 177.584 -1.669 0.000 1.048 61 A CA -0.582 50.772 52.037 -1.139 0.000 0.708 61 A CB 0.898 19.499 19.000 -0.665 0.000 1.274 61 A HN 0.971 nan 8.150 nan 0.000 0.410 62 W N 2.465 122.888 121.300 -1.462 0.000 2.520 62 W HA 0.747 5.421 4.660 0.023 0.000 0.323 62 W C -1.877 173.943 176.519 -1.165 0.000 1.062 62 W CA -0.481 56.148 57.345 -1.193 0.000 1.215 62 W CB 1.091 30.123 29.460 -0.714 0.000 1.340 62 W HN 0.499 nan 8.180 nan 0.000 0.516 63 F N 6.017 125.419 119.950 -0.914 0.000 2.563 63 F HA 0.384 4.925 4.527 0.023 0.000 0.316 63 F C -1.366 173.604 175.800 -1.383 0.000 1.076 63 F CA -2.314 55.213 58.000 -0.789 0.000 0.921 63 F CB 1.884 40.534 39.000 -0.582 0.000 1.209 63 F HN 0.205 nan 8.300 nan 0.000 0.462 64 P HA 0.175 nan 4.420 nan 0.000 0.249 64 P C -0.503 176.649 177.300 -0.247 0.000 1.229 64 P CA 0.622 63.421 63.100 -0.502 0.000 0.788 64 P CB 0.622 32.338 31.700 0.026 0.000 1.072 65 A N -0.023 122.660 122.820 -0.227 0.000 2.594 65 A HA 0.486 4.820 4.320 0.023 0.000 0.296 65 A C -2.462 175.014 177.584 -0.181 0.000 1.056 65 A CA -0.917 51.042 52.037 -0.130 0.000 0.693 65 A CB 0.455 19.443 19.000 -0.020 0.000 1.278 65 A HN -0.293 nan 8.150 nan 0.000 0.408 66 P HA -0.131 nan 4.420 nan 0.000 0.220 66 P C 0.639 177.848 177.300 -0.152 0.000 1.148 66 P CA 1.505 64.476 63.100 -0.215 0.000 0.803 66 P CB 0.231 31.793 31.700 -0.229 0.000 0.782 67 E N 0.255 120.424 120.200 -0.052 0.000 2.409 67 E HA -0.014 4.350 4.350 0.023 0.000 0.198 67 E C 1.924 178.452 176.600 -0.120 0.000 1.024 67 E CA 1.019 57.393 56.400 -0.043 0.000 0.861 67 E CB -0.761 28.953 29.700 0.024 0.000 0.788 67 E HN 0.261 nan 8.360 nan 0.000 0.521 68 A N 0.467 123.178 122.820 -0.181 0.000 2.275 68 A HA 0.143 4.477 4.320 0.023 0.000 0.212 68 A C 0.553 177.824 177.584 -0.522 0.000 1.201 68 A CA -0.234 51.679 52.037 -0.207 0.000 0.843 68 A CB 0.286 19.244 19.000 -0.070 0.000 0.873 68 A HN 0.043 nan 8.150 nan 0.000 0.492 69 V N 2.606 122.124 119.914 -0.659 0.000 2.488 69 V HA 0.187 4.321 4.120 0.023 0.000 0.277 69 V C -2.191 173.542 176.094 -0.601 0.000 1.046 69 V CA -1.427 60.242 62.300 -1.052 0.000 0.986 69 V CB 0.659 31.921 31.823 -0.934 0.000 0.989 69 V HN 0.271 nan 8.190 nan 0.000 0.475 70 P HA 0.148 nan 4.420 nan 0.000 0.268 70 P C 0.414 177.650 177.300 -0.108 0.000 1.204 70 P CA -0.134 62.840 63.100 -0.209 0.000 0.768 70 P CB 0.737 32.380 31.700 -0.096 0.000 0.842 71 E N 0.946 121.097 120.200 -0.081 0.000 2.153 71 E HA -0.182 4.182 4.350 0.023 0.000 0.194 71 E C 1.895 178.467 176.600 -0.047 0.000 0.988 71 E CA 1.689 58.049 56.400 -0.067 0.000 0.811 71 E CB -0.572 29.094 29.700 -0.056 0.000 0.746 71 E HN 0.536 nan 8.360 nan 0.000 0.466 72 S N 0.162 115.853 115.700 -0.015 0.000 2.383 72 S HA -0.253 4.231 4.470 0.023 0.000 0.229 72 S C 1.829 176.436 174.600 0.013 0.000 1.030 72 S CA 0.922 59.121 58.200 -0.002 0.000 1.002 72 S CB -0.933 62.278 63.200 0.018 0.000 0.829 72 S HN 0.591 nan 8.310 nan 0.000 0.467 73 W N 2.377 123.581 121.300 -0.160 0.000 2.336 73 W HA -0.066 4.608 4.660 0.023 0.000 0.277 73 W C 1.561 177.961 176.519 -0.197 0.000 1.211 73 W CA 1.207 58.455 57.345 -0.162 0.000 1.187 73 W CB -0.361 28.982 29.460 -0.194 0.000 1.132 73 W HN 0.309 nan 8.180 nan 0.000 0.562 74 L N -0.017 120.995 121.223 -0.351 0.000 2.156 74 L HA -0.121 4.233 4.340 0.023 0.000 0.208 74 L C 2.507 179.139 176.870 -0.396 0.000 1.095 74 L CA 1.121 55.595 54.840 -0.611 0.000 0.770 74 L CB -0.640 41.065 42.059 -0.590 0.000 0.914 74 L HN -0.062 nan 8.230 nan 0.000 0.439 75 E N -0.720 119.337 120.200 -0.238 0.000 2.201 75 E HA 0.032 4.396 4.350 0.023 0.000 0.193 75 E C 0.522 177.039 176.600 -0.138 0.000 0.957 75 E CA 0.653 56.964 56.400 -0.150 0.000 0.858 75 E CB 0.692 30.342 29.700 -0.084 0.000 0.816 75 E HN 0.500 nan 8.360 nan 0.000 0.475 76 C N -0.096 119.132 119.300 -0.120 0.000 3.090 76 C HA 0.547 5.021 4.460 0.023 0.000 0.305 76 C C -0.106 174.863 174.990 -0.035 0.000 1.292 76 C CA -1.444 57.529 59.018 -0.074 0.000 1.482 76 C CB 1.229 28.950 27.740 -0.032 0.000 1.897 76 C HN 0.119 nan 8.230 nan 0.000 0.469 77 D N 0.692 121.091 120.400 -0.003 0.000 2.472 77 D HA 0.308 4.962 4.640 0.023 0.000 0.237 77 D C -0.290 176.078 176.300 0.114 0.000 1.141 77 D CA 0.363 54.406 54.000 0.071 0.000 0.875 77 D CB 0.506 41.340 40.800 0.057 0.000 1.192 77 D HN 0.591 nan 8.370 nan 0.000 0.450 78 L N 5.784 127.121 121.223 0.191 0.000 2.305 78 L HA 0.275 4.629 4.340 0.023 0.000 0.281 78 L C -1.159 175.770 176.870 0.098 0.000 1.085 78 L CA -1.557 53.375 54.840 0.153 0.000 0.813 78 L CB 1.311 43.480 42.059 0.184 0.000 1.157 78 L HN 0.514 nan 8.230 nan 0.000 0.436 79 P HA -0.175 nan 4.420 nan 0.000 0.218 79 P C 0.551 177.877 177.300 0.043 0.000 1.148 79 P CA 1.189 64.319 63.100 0.051 0.000 0.822 79 P CB 0.205 31.929 31.700 0.040 0.000 0.784 80 E N -0.403 119.819 120.200 0.037 0.000 2.502 80 E HA 0.244 4.608 4.350 0.023 0.000 0.194 80 E C 0.937 177.539 176.600 0.003 0.000 1.062 80 E CA -0.053 56.356 56.400 0.014 0.000 0.867 80 E CB -0.718 28.978 29.700 -0.007 0.000 0.888 80 E HN 0.223 nan 8.360 nan 0.000 0.510 81 A N 1.090 123.925 122.820 0.025 0.000 2.366 81 A HA 0.220 4.554 4.320 0.023 0.000 0.249 81 A C -0.011 177.617 177.584 0.074 0.000 1.084 81 A CA -0.444 51.603 52.037 0.018 0.000 0.794 81 A CB 0.399 19.440 19.000 0.068 0.000 1.034 81 A HN -0.030 nan 8.150 nan 0.000 0.491 82 D N -0.220 120.254 120.400 0.123 0.000 2.440 82 D HA 0.502 5.156 4.640 0.023 0.000 0.258 82 D C -0.521 175.897 176.300 0.195 0.000 1.092 82 D CA 0.095 54.197 54.000 0.169 0.000 1.016 82 D CB 1.088 42.042 40.800 0.257 0.000 1.141 82 D HN 0.389 nan 8.370 nan 0.000 0.552 83 T N 0.476 115.132 114.554 0.170 0.000 2.758 83 T HA 0.513 4.877 4.350 0.023 0.000 0.285 83 T C -0.010 174.793 174.700 0.171 0.000 0.981 83 T CA -0.575 61.632 62.100 0.178 0.000 0.965 83 T CB 0.676 69.621 68.868 0.128 0.000 0.927 83 T HN 0.277 nan 8.240 nan 0.000 0.448 84 V N 1.333 121.384 119.914 0.229 0.000 3.160 84 V HA 0.830 4.964 4.120 0.023 0.000 0.310 84 V C -0.509 175.722 176.094 0.227 0.000 1.181 84 V CA -1.011 61.393 62.300 0.174 0.000 1.047 84 V CB 1.710 33.679 31.823 0.244 0.000 1.068 84 V HN 0.496 nan 8.190 nan 0.000 0.441 85 V N 1.758 121.781 119.914 0.183 0.000 2.607 85 V HA 0.580 4.714 4.120 0.023 0.000 0.289 85 V C 0.024 176.196 176.094 0.130 0.000 1.053 85 V CA -0.197 62.198 62.300 0.158 0.000 0.996 85 V CB 1.388 33.264 31.823 0.088 0.000 0.995 85 V HN 0.762 nan 8.190 nan 0.000 0.476 86 V N 6.467 126.373 119.914 -0.013 0.000 2.656 86 V HA 0.468 4.602 4.120 0.023 0.000 0.307 86 V C -2.300 173.670 176.094 -0.207 0.000 1.051 86 V CA -1.835 60.320 62.300 -0.241 0.000 0.893 86 V CB 2.530 33.893 31.823 -0.766 0.000 0.999 86 V HN 0.763 nan 8.190 nan 0.000 0.426 87 P HA 0.398 nan 4.420 nan 0.000 0.274 87 P C -0.794 176.416 177.300 -0.150 0.000 1.231 87 P CA -0.020 62.945 63.100 -0.224 0.000 0.790 87 P CB 1.113 32.694 31.700 -0.198 0.000 0.951 88 S N 0.375 115.991 115.700 -0.139 0.000 2.615 88 S HA 0.425 4.909 4.470 0.023 0.000 0.268 88 S C -1.334 173.170 174.600 -0.160 0.000 1.146 88 S CA -1.046 57.053 58.200 -0.168 0.000 0.818 88 S CB 0.470 63.505 63.200 -0.274 0.000 1.111 88 S HN 0.337 nan 8.310 nan 0.000 0.465 89 N N 1.055 119.598 118.700 -0.263 0.000 2.417 89 N HA 0.426 5.180 4.740 0.023 0.000 0.274 89 N C 0.471 175.763 175.510 -0.362 0.000 0.987 89 N CA -0.867 51.987 53.050 -0.328 0.000 0.912 89 N CB 0.710 38.980 38.487 -0.363 0.000 1.177 89 N HN 0.861 nan 8.380 nan 0.000 0.490 90 W N 2.452 123.605 121.300 -0.246 0.000 2.387 90 W HA -0.111 4.564 4.660 0.024 0.000 0.272 90 W C 0.982 177.466 176.519 -0.058 0.000 1.224 90 W CA 0.748 57.943 57.345 -0.249 0.000 1.210 90 W CB -0.385 28.874 29.460 -0.334 0.000 1.125 90 W HN 0.494 nan 8.180 nan 0.000 0.572 91 Q N 0.561 120.285 119.800 -0.126 0.000 2.170 91 Q HA -0.124 4.230 4.340 0.023 0.000 0.203 91 Q C 2.184 178.141 176.000 -0.073 0.000 0.976 91 Q CA 1.943 57.711 55.803 -0.059 0.000 0.858 91 Q CB -0.613 27.976 28.738 -0.248 0.000 0.907 91 Q HN 0.296 nan 8.270 nan 0.000 0.433 92 M N -0.788 118.722 119.600 -0.149 0.000 2.630 92 M HA -0.046 4.448 4.480 0.023 0.000 0.254 92 M C 0.595 176.976 176.300 0.136 0.000 1.092 92 M CA 1.305 56.554 55.300 -0.086 0.000 1.087 92 M CB -0.517 32.010 32.600 -0.122 0.000 1.453 92 M HN 0.380 nan 8.290 nan 0.000 0.509 93 H N -0.895 118.199 119.070 0.040 0.000 2.652 93 H HA 0.276 4.846 4.556 0.024 0.000 0.274 93 H C 1.219 176.449 175.328 -0.163 0.000 1.021 93 H CA 0.124 56.179 56.048 0.011 0.000 1.187 93 H CB 0.585 30.454 29.762 0.178 0.000 1.505 93 H HN 0.545 nan 8.280 nan 0.000 0.530 94 G N 0.679 109.491 108.800 0.020 0.000 2.143 94 G HA2 -0.356 3.618 3.960 0.023 0.000 0.249 94 G HA3 -0.356 3.618 3.960 0.023 0.000 0.249 94 G C 0.337 175.122 174.900 -0.190 0.000 0.981 94 G CA 0.335 45.380 45.100 -0.091 0.000 0.665 94 G HN 0.466 nan 8.290 nan 0.000 0.528 95 Y N 1.481 121.810 120.300 0.049 0.000 2.293 95 Y HA 0.238 4.802 4.550 0.023 0.000 0.291 95 Y C 1.696 177.401 175.900 -0.325 0.000 1.137 95 Y CA 1.574 59.583 58.100 -0.152 0.000 1.202 95 Y CB 0.200 38.617 38.460 -0.072 0.000 0.990 95 Y HN 0.630 nan 8.280 nan 0.000 0.537 96 D N -1.653 118.856 120.400 0.181 0.000 2.643 96 D HA 0.501 5.155 4.640 0.023 0.000 0.283 96 D C -1.156 175.260 176.300 0.193 0.000 1.242 96 D CA -0.935 53.171 54.000 0.176 0.000 0.863 96 D CB 0.904 41.966 40.800 0.436 0.000 1.382 96 D HN -0.046 nan 8.370 nan 0.000 0.444 97 A N 0.142 123.081 122.820 0.198 0.000 2.327 97 A HA 0.683 5.017 4.320 0.023 0.000 0.283 97 A C -2.329 175.317 177.584 0.103 0.000 1.127 97 A CA -1.183 50.954 52.037 0.166 0.000 0.810 97 A CB 0.093 19.255 19.000 0.271 0.000 1.066 97 A HN 0.541 nan 8.150 nan 0.000 0.492 98 P HA 0.404 nan 4.420 nan 0.000 0.275 98 P C -0.883 176.611 177.300 0.323 0.000 1.228 98 P CA 0.105 63.181 63.100 -0.040 0.000 0.786 98 P CB 0.707 32.116 31.700 -0.485 0.000 0.927 99 I N 2.355 123.185 120.570 0.434 0.000 2.433 99 I HA 0.250 4.434 4.170 0.023 0.000 0.292 99 I C -0.444 175.839 176.117 0.277 0.000 1.001 99 I CA -0.962 60.580 61.300 0.402 0.000 1.119 99 I CB 1.462 39.635 38.000 0.289 0.000 1.289 99 I HN 0.285 nan 8.210 nan 0.000 0.438 100 Y N 6.319 126.526 120.300 -0.154 0.000 2.491 100 Y HA 0.520 5.083 4.550 0.023 0.000 0.334 100 Y C -0.349 175.385 175.900 -0.277 0.000 0.969 100 Y CA -0.624 57.111 58.100 -0.609 0.000 1.241 100 Y CB 1.041 38.694 38.460 -1.345 0.000 1.105 100 Y HN 0.543 nan 8.280 nan 0.000 0.503 101 T N 4.942 118.999 114.554 -0.829 0.000 2.876 101 T HA 0.276 4.640 4.350 0.023 0.000 0.289 101 T C 0.270 174.508 174.700 -0.770 0.000 1.014 101 T CA -0.553 61.081 62.100 -0.777 0.000 0.986 101 T CB 1.133 69.797 68.868 -0.341 0.000 1.021 101 T HN 0.779 nan 8.240 nan 0.000 0.458 102 N N 2.751 121.056 118.700 -0.658 0.000 2.288 102 N HA 0.049 4.803 4.740 0.023 0.000 0.199 102 N C 1.568 176.849 175.510 -0.383 0.000 1.043 102 N CA 1.593 54.418 53.050 -0.376 0.000 0.947 102 N CB -0.689 37.648 38.487 -0.251 0.000 1.140 102 N HN 0.366 nan 8.380 nan 0.000 0.490 103 V N 0.285 119.901 119.914 -0.497 0.000 2.426 103 V HA 0.088 4.222 4.120 0.023 0.000 0.242 103 V C 0.378 176.187 176.094 -0.476 0.000 1.036 103 V CA 1.032 62.950 62.300 -0.637 0.000 1.044 103 V CB -0.854 30.489 31.823 -0.799 0.000 0.688 103 V HN 0.375 nan 8.190 nan 0.000 0.462 104 T N 1.386 115.725 114.554 -0.358 0.000 2.792 104 T HA 0.066 4.430 4.350 0.023 0.000 0.286 104 T C -0.287 174.305 174.700 -0.179 0.000 0.970 104 T CA 0.308 62.272 62.100 -0.226 0.000 1.187 104 T CB -0.496 68.268 68.868 -0.174 0.000 0.915 104 T HN 0.199 nan 8.240 nan 0.000 0.529 105 Y N 5.141 125.352 120.300 -0.148 0.000 2.702 105 Y HA 0.064 4.628 4.550 0.023 0.000 0.336 105 Y C -0.724 175.056 175.900 -0.201 0.000 1.235 105 Y CA -1.614 56.388 58.100 -0.163 0.000 1.492 105 Y CB 0.426 38.790 38.460 -0.161 0.000 1.308 105 Y HN 0.522 nan 8.280 nan 0.000 0.589 106 P HA -0.032 nan 4.420 nan 0.000 0.237 106 P C -0.310 176.778 177.300 -0.354 0.000 1.178 106 P CA 1.158 64.159 63.100 -0.166 0.000 0.766 106 P CB -0.004 31.637 31.700 -0.097 0.000 0.876 107 I N -5.440 114.885 120.570 -0.407 0.000 3.002 107 I HA 0.498 4.682 4.170 0.023 0.000 0.310 107 I C -0.502 175.481 176.117 -0.222 0.000 1.087 107 I CA -1.246 59.790 61.300 -0.440 0.000 1.017 107 I CB 1.702 39.279 38.000 -0.706 0.000 1.226 107 I HN -0.469 nan 8.210 nan 0.000 0.443 108 T N 2.703 117.172 114.554 -0.142 0.000 2.928 108 T HA 0.151 4.515 4.350 0.023 0.000 0.305 108 T C 0.172 174.854 174.700 -0.029 0.000 1.035 108 T CA -0.188 61.879 62.100 -0.054 0.000 1.145 108 T CB 0.633 69.493 68.868 -0.014 0.000 0.963 108 T HN 0.383 nan 8.240 nan 0.000 0.545 109 V N 4.905 124.817 119.914 -0.003 0.000 2.370 109 V HA 0.235 4.369 4.120 0.023 0.000 0.257 109 V C 0.670 176.805 176.094 0.067 0.000 1.064 109 V CA -0.267 62.051 62.300 0.029 0.000 0.975 109 V CB -0.217 31.603 31.823 -0.005 0.000 1.067 109 V HN 0.857 nan 8.190 nan 0.000 0.485 110 N N 6.080 124.874 118.700 0.157 0.000 2.673 110 N HA 0.272 5.026 4.740 0.023 0.000 0.265 110 N C -2.897 172.667 175.510 0.091 0.000 1.709 110 N CA -1.306 51.828 53.050 0.139 0.000 0.792 110 N CB 1.486 40.102 38.487 0.216 0.000 1.286 110 N HN 0.281 nan 8.380 nan 0.000 0.506 111 P HA 0.218 nan 4.420 nan 0.000 0.269 111 P C -2.224 174.826 177.300 -0.417 0.000 1.209 111 P CA -0.793 61.887 63.100 -0.700 0.000 0.776 111 P CB 0.622 31.698 31.700 -1.040 0.000 0.876 112 P HA 0.217 nan 4.420 nan 0.000 0.259 112 P C -0.409 176.734 177.300 -0.262 0.000 1.530 112 P CA -0.264 62.593 63.100 -0.405 0.000 1.022 112 P CB -0.047 31.420 31.700 -0.389 0.000 1.514 113 F N 0.958 121.014 119.950 0.176 0.000 2.380 113 F HA 0.305 4.847 4.527 0.024 0.000 0.325 113 F C 1.380 177.347 175.800 0.277 0.000 1.136 113 F CA -0.730 57.385 58.000 0.192 0.000 1.171 113 F CB 0.760 39.820 39.000 0.101 0.000 1.230 113 F HN -0.210 nan 8.300 nan 0.000 0.554 114 V N -0.981 119.201 119.914 0.447 0.000 3.113 114 V HA 0.697 4.831 4.120 0.023 0.000 0.316 114 V C -2.731 173.522 176.094 0.264 0.000 1.125 114 V CA -2.858 59.627 62.300 0.308 0.000 1.026 114 V CB 1.317 33.377 31.823 0.395 0.000 1.080 114 V HN 0.481 nan 8.190 nan 0.000 0.444 115 P HA 0.185 nan 4.420 nan 0.000 0.268 115 P C 0.999 178.437 177.300 0.230 0.000 1.208 115 P CA 0.555 63.744 63.100 0.148 0.000 0.777 115 P CB 0.510 32.263 31.700 0.088 0.000 0.875 116 T N -2.142 112.519 114.554 0.178 0.000 2.942 116 T HA -0.037 4.327 4.350 0.023 0.000 0.265 116 T C 0.682 175.488 174.700 0.177 0.000 1.062 116 T CA 0.724 62.935 62.100 0.185 0.000 1.139 116 T CB -0.377 68.567 68.868 0.127 0.000 0.883 116 T HN 0.189 nan 8.240 nan 0.000 0.468 117 E N 3.235 123.535 120.200 0.167 0.000 1.932 117 E HA 0.338 4.702 4.350 0.023 0.000 0.275 117 E C -0.783 175.956 176.600 0.232 0.000 1.159 117 E CA -0.126 56.375 56.400 0.168 0.000 0.905 117 E CB 0.067 29.868 29.700 0.168 0.000 1.059 117 E HN 0.444 nan 8.360 nan 0.000 0.400 118 N N 4.188 122.995 118.700 0.180 0.000 2.576 118 N HA 0.277 5.031 4.740 0.023 0.000 0.269 118 N C -2.892 172.606 175.510 -0.020 0.000 1.058 118 N CA -2.321 50.863 53.050 0.223 0.000 0.860 118 N CB 1.258 39.897 38.487 0.254 0.000 1.249 118 N HN -0.060 nan 8.380 nan 0.000 0.525 119 P HA 0.020 nan 4.420 nan 0.000 0.258 119 P C -0.852 176.243 177.300 -0.343 0.000 1.172 119 P CA 0.512 63.432 63.100 -0.300 0.000 0.762 119 P CB 0.317 32.121 31.700 0.173 0.000 0.764 120 T N 2.923 117.022 114.554 -0.759 0.000 2.809 120 T HA 0.530 4.894 4.350 0.023 0.000 0.284 120 T C 0.355 174.505 174.700 -0.917 0.000 0.992 120 T CA -0.574 61.176 62.100 -0.583 0.000 0.957 120 T CB 1.496 70.102 68.868 -0.436 0.000 0.942 120 T HN 0.319 nan 8.240 nan 0.000 0.439 121 G N 1.190 109.488 108.800 -0.835 0.000 2.329 121 G HA2 0.457 4.431 3.960 0.023 0.000 0.309 121 G HA3 0.457 4.431 3.960 0.023 0.000 0.309 121 G C -0.187 174.455 174.900 -0.430 0.000 1.110 121 G CA -0.347 44.222 45.100 -0.885 0.000 0.923 121 G HN 0.863 nan 8.290 nan 0.000 0.430 122 C N 3.486 122.294 119.300 -0.820 0.000 2.223 122 C HA 0.472 4.946 4.460 0.023 0.000 0.324 122 C C -0.487 174.469 174.990 -0.057 0.000 1.196 122 C CA -0.919 57.813 59.018 -0.477 0.000 1.628 122 C CB -1.726 25.377 27.740 -1.062 0.000 2.229 122 C HN 0.631 nan 8.230 nan 0.000 0.486 123 Y N 1.884 122.477 120.300 0.489 0.000 2.457 123 Y HA 0.663 5.228 4.550 0.024 0.000 0.333 123 Y C 0.747 177.084 175.900 0.729 0.000 1.119 123 Y CA -0.342 58.158 58.100 0.666 0.000 1.143 123 Y CB 1.433 40.314 38.460 0.702 0.000 1.230 123 Y HN 0.652 nan 8.280 nan 0.000 0.469 124 S N 1.988 118.133 115.700 0.742 0.000 2.550 124 S HA 0.765 5.249 4.470 0.023 0.000 0.270 124 S C -1.990 172.614 174.600 0.005 0.000 1.145 124 S CA -0.803 57.582 58.200 0.307 0.000 0.852 124 S CB 1.941 65.237 63.200 0.159 0.000 1.119 124 S HN 0.667 nan 8.310 nan 0.000 0.465 125 L N 1.042 122.093 121.223 -0.286 0.000 2.493 125 L HA 0.749 5.103 4.340 0.023 0.000 0.265 125 L C -1.037 175.752 176.870 -0.135 0.000 0.954 125 L CA 0.127 54.643 54.840 -0.539 0.000 0.844 125 L CB 2.221 43.392 42.059 -1.480 0.000 1.302 125 L HN 0.881 nan 8.230 nan 0.000 0.405 126 T N 5.948 120.468 114.554 -0.056 0.000 2.767 126 T HA 0.748 5.112 4.350 0.023 0.000 0.284 126 T C -0.769 173.997 174.700 0.110 0.000 0.973 126 T CA 0.056 62.172 62.100 0.026 0.000 0.996 126 T CB 0.264 69.114 68.868 -0.030 0.000 0.927 126 T HN 0.493 nan 8.240 nan 0.000 0.456 127 F N 0.975 120.832 119.950 -0.154 0.000 2.711 127 F HA 0.720 5.261 4.527 0.024 0.000 0.313 127 F C -0.784 174.945 175.800 -0.119 0.000 1.141 127 F CA -1.571 56.343 58.000 -0.143 0.000 0.941 127 F CB 1.352 40.248 39.000 -0.174 0.000 1.349 127 F HN 0.396 nan 8.300 nan 0.000 0.464 128 N N 0.056 118.672 118.700 -0.140 0.000 2.489 128 N HA 0.704 5.458 4.740 0.023 0.000 0.284 128 N C -1.974 173.401 175.510 -0.224 0.000 1.158 128 N CA -0.468 52.440 53.050 -0.237 0.000 0.965 128 N CB 1.993 40.402 38.487 -0.130 0.000 1.195 128 N HN 0.651 nan 8.380 nan 0.000 0.506 129 V N 1.769 121.532 119.914 -0.252 0.000 2.623 129 V HA 0.251 4.385 4.120 0.023 0.000 0.304 129 V C -1.054 174.925 176.094 -0.192 0.000 1.054 129 V CA -0.988 61.173 62.300 -0.232 0.000 0.882 129 V CB 1.732 33.463 31.823 -0.152 0.000 1.002 129 V HN 0.747 nan 8.190 nan 0.000 0.424 130 D N 2.951 123.193 120.400 -0.262 0.000 2.424 130 D HA 0.041 4.695 4.640 0.023 0.000 0.244 130 D C 1.034 177.345 176.300 0.018 0.000 1.134 130 D CA 0.067 53.997 54.000 -0.117 0.000 0.881 130 D CB 1.767 42.505 40.800 -0.104 0.000 1.191 130 D HN 0.765 nan 8.370 nan 0.000 0.445 131 E N 1.510 121.731 120.200 0.036 0.000 2.153 131 E HA -0.203 4.161 4.350 0.023 0.000 0.194 131 E C 1.614 178.287 176.600 0.121 0.000 0.988 131 E CA 1.572 58.015 56.400 0.071 0.000 0.811 131 E CB -0.088 29.637 29.700 0.042 0.000 0.746 131 E HN 0.403 nan 8.360 nan 0.000 0.466 132 S N -0.853 114.928 115.700 0.134 0.000 2.419 132 S HA -0.177 4.307 4.470 0.023 0.000 0.235 132 S C 1.639 176.323 174.600 0.139 0.000 1.019 132 S CA 1.030 59.307 58.200 0.128 0.000 0.982 132 S CB -0.844 62.434 63.200 0.130 0.000 0.789 132 S HN 0.437 nan 8.310 nan 0.000 0.490 133 W N 1.427 122.663 121.300 -0.106 0.000 2.584 133 W HA 0.402 5.076 4.660 0.023 0.000 0.264 133 W C 1.904 178.505 176.519 0.136 0.000 1.264 133 W CA -0.184 57.092 57.345 -0.115 0.000 1.306 133 W CB -0.382 29.088 29.460 0.016 0.000 1.110 133 W HN 0.312 nan 8.180 nan 0.000 0.606 134 L N -0.208 121.196 121.223 0.302 0.000 2.470 134 L HA -0.008 4.346 4.340 0.023 0.000 0.219 134 L C 2.603 179.568 176.870 0.159 0.000 1.071 134 L CA 0.525 55.500 54.840 0.225 0.000 0.850 134 L CB -0.889 41.265 42.059 0.159 0.000 1.040 134 L HN -0.014 nan 8.230 nan 0.000 0.475 135 Q N 2.248 122.125 119.800 0.129 0.000 2.291 135 Q HA -0.128 4.226 4.340 0.023 0.000 0.206 135 Q C -0.118 175.936 176.000 0.088 0.000 0.976 135 Q CA 0.998 56.853 55.803 0.088 0.000 0.875 135 Q CB -0.107 28.668 28.738 0.062 0.000 0.927 135 Q HN 0.680 nan 8.270 nan 0.000 0.450 136 E N -1.740 118.535 120.200 0.125 0.000 2.423 136 E HA 0.626 4.990 4.350 0.023 0.000 0.280 136 E C -0.301 176.416 176.600 0.195 0.000 1.030 136 E CA -0.787 55.682 56.400 0.116 0.000 0.812 136 E CB 1.349 31.098 29.700 0.083 0.000 1.313 136 E HN 0.189 nan 8.360 nan 0.000 0.456 137 G N 0.490 109.340 108.800 0.083 0.000 2.698 137 G HA2 -0.167 3.807 3.960 0.023 0.000 0.225 137 G HA3 -0.167 3.807 3.960 0.023 0.000 0.225 137 G C -1.033 173.769 174.900 -0.164 0.000 1.345 137 G CA -0.122 44.931 45.100 -0.079 0.000 0.871 137 G HN 0.765 nan 8.290 nan 0.000 0.540 138 Q N -0.577 118.957 119.800 -0.444 0.000 2.340 138 Q HA 0.672 5.026 4.340 0.023 0.000 0.268 138 Q C -1.023 174.810 176.000 -0.279 0.000 1.031 138 Q CA -0.528 55.134 55.803 -0.236 0.000 0.804 138 Q CB 1.739 30.382 28.738 -0.159 0.000 1.286 138 Q HN 0.629 nan 8.270 nan 0.000 0.448 139 T N 4.776 119.340 114.554 0.017 0.000 2.791 139 T HA 0.477 4.841 4.350 0.023 0.000 0.288 139 T C -0.711 174.100 174.700 0.185 0.000 0.999 139 T CA -0.666 61.544 62.100 0.183 0.000 0.952 139 T CB 0.602 69.728 68.868 0.430 0.000 0.938 139 T HN 0.660 nan 8.240 nan 0.000 0.444 140 R N 2.916 123.512 120.500 0.161 0.000 2.832 140 R HA 0.792 5.146 4.340 0.023 0.000 0.271 140 R C -0.998 175.399 176.300 0.162 0.000 0.996 140 R CA -0.989 55.207 56.100 0.160 0.000 0.977 140 R CB 1.520 31.889 30.300 0.114 0.000 1.168 140 R HN 0.553 nan 8.270 nan 0.000 0.482 141 I N 2.149 122.815 120.570 0.160 0.000 2.460 141 I HA 0.441 4.625 4.170 0.023 0.000 0.298 141 I C -1.078 175.067 176.117 0.046 0.000 0.989 141 I CA -1.334 59.999 61.300 0.056 0.000 1.173 141 I CB 1.398 39.424 38.000 0.043 0.000 1.338 141 I HN 0.617 nan 8.210 nan 0.000 0.456 142 I N 7.134 127.629 120.570 -0.125 0.000 2.418 142 I HA 0.284 4.468 4.170 0.023 0.000 0.287 142 I C -1.268 174.670 176.117 -0.298 0.000 1.008 142 I CA -0.407 60.838 61.300 -0.092 0.000 1.104 142 I CB 1.494 39.457 38.000 -0.062 0.000 1.264 142 I HN 0.382 nan 8.210 nan 0.000 0.438 143 F N 4.554 124.493 119.950 -0.018 0.000 2.313 143 F HA 0.262 4.803 4.527 0.023 0.000 0.369 143 F C 1.318 177.006 175.800 -0.187 0.000 1.109 143 F CA -0.477 57.438 58.000 -0.142 0.000 1.132 143 F CB 0.610 39.475 39.000 -0.225 0.000 1.291 143 F HN 0.459 nan 8.300 nan 0.000 0.496 144 D N 2.332 122.639 120.400 -0.154 0.000 2.264 144 D HA 0.032 4.686 4.640 0.023 0.000 0.208 144 D C 1.034 177.156 176.300 -0.297 0.000 0.966 144 D CA 0.897 54.760 54.000 -0.229 0.000 0.864 144 D CB 0.383 40.988 40.800 -0.325 0.000 0.933 144 D HN 0.626 nan 8.370 nan 0.000 0.499 145 G N -0.325 108.244 108.800 -0.384 0.000 2.505 145 G HA2 0.425 4.399 3.960 0.023 0.000 0.292 145 G HA3 0.425 4.399 3.960 0.023 0.000 0.292 145 G C -1.431 173.241 174.900 -0.380 0.000 1.332 145 G CA -0.423 44.345 45.100 -0.553 0.000 1.286 145 G HN -0.057 nan 8.290 nan 0.000 0.606 146 V N 2.635 122.529 119.914 -0.033 0.000 2.482 146 V HA 0.501 4.635 4.120 0.023 0.000 0.295 146 V C -0.740 175.454 176.094 0.166 0.000 1.026 146 V CA -1.165 61.117 62.300 -0.030 0.000 0.856 146 V CB 1.830 33.366 31.823 -0.479 0.000 1.001 146 V HN 0.690 nan 8.190 nan 0.000 0.424 147 N N 2.731 121.508 118.700 0.128 0.000 2.476 147 N HA 0.315 5.069 4.740 0.023 0.000 0.257 147 N C 0.604 176.042 175.510 -0.119 0.000 0.970 147 N CA 0.160 53.183 53.050 -0.045 0.000 0.938 147 N CB 2.071 40.351 38.487 -0.345 0.000 1.144 147 N HN 0.671 nan 8.380 nan 0.000 0.500 148 S N 1.846 117.520 115.700 -0.044 0.000 2.549 148 S HA 0.573 5.057 4.470 0.023 0.000 0.225 148 S C 0.332 174.993 174.600 0.101 0.000 1.039 148 S CA 0.013 58.237 58.200 0.039 0.000 0.942 148 S CB 0.386 63.623 63.200 0.063 0.000 0.881 148 S HN 0.620 nan 8.310 nan 0.000 0.503 149 A N 0.939 123.828 122.820 0.114 0.000 2.606 149 A HA 0.793 5.127 4.320 0.023 0.000 0.293 149 A C -1.305 176.358 177.584 0.132 0.000 1.082 149 A CA -0.992 51.072 52.037 0.046 0.000 0.685 149 A CB 0.966 20.014 19.000 0.079 0.000 1.284 149 A HN 1.050 nan 8.150 nan 0.000 0.408 150 F N -0.544 119.199 119.950 -0.344 0.000 2.678 150 F HA 0.739 5.280 4.527 0.023 0.000 0.308 150 F C -1.084 174.576 175.800 -0.233 0.000 1.118 150 F CA -0.809 57.078 58.000 -0.189 0.000 0.959 150 F CB 1.170 40.068 39.000 -0.169 0.000 1.305 150 F HN 0.609 nan 8.300 nan 0.000 0.443 151 H N 2.011 121.221 119.070 0.233 0.000 2.499 151 H HA 0.705 5.275 4.556 0.024 0.000 0.340 151 H C -1.379 173.897 175.328 -0.088 0.000 1.148 151 H CA -0.702 55.364 56.048 0.030 0.000 1.215 151 H CB 2.442 32.218 29.762 0.023 0.000 1.529 151 H HN 0.766 nan 8.280 nan 0.000 0.510 152 L N 2.991 123.976 121.223 -0.397 0.000 2.385 152 L HA 0.398 4.752 4.340 0.023 0.000 0.273 152 L C -1.575 174.975 176.870 -0.534 0.000 0.990 152 L CA -0.527 54.136 54.840 -0.295 0.000 0.821 152 L CB 1.411 43.169 42.059 -0.501 0.000 1.279 152 L HN 0.518 nan 8.230 nan 0.000 0.412 153 W N 4.086 125.352 121.300 -0.058 0.000 2.799 153 W HA 0.644 5.318 4.660 0.024 0.000 0.349 153 W C -1.111 175.338 176.519 -0.116 0.000 1.100 153 W CA -0.794 56.498 57.345 -0.087 0.000 1.174 153 W CB 2.094 31.536 29.460 -0.029 0.000 1.427 153 W HN 0.613 nan 8.180 nan 0.000 0.547 154 C N 4.169 123.537 119.300 0.114 0.000 2.505 154 C HA 0.268 4.742 4.460 0.023 0.000 0.342 154 C C 0.071 175.165 174.990 0.173 0.000 1.121 154 C CA -0.410 58.666 59.018 0.097 0.000 1.306 154 C CB -0.695 27.032 27.740 -0.021 0.000 1.897 154 C HN 0.815 nan 8.230 nan 0.000 0.446 155 N N 3.602 122.369 118.700 0.112 0.000 2.735 155 N HA -0.186 4.568 4.740 0.023 0.000 0.248 155 N C 0.982 176.551 175.510 0.097 0.000 1.083 155 N CA 2.023 55.120 53.050 0.079 0.000 0.703 155 N CB -1.349 37.191 38.487 0.088 0.000 1.005 155 N HN 1.911 nan 8.380 nan 0.000 0.550 156 G N -1.044 107.808 108.800 0.087 0.000 2.234 156 G HA2 -0.371 3.603 3.960 0.023 0.000 0.260 156 G HA3 -0.371 3.603 3.960 0.023 0.000 0.260 156 G C 0.167 175.226 174.900 0.264 0.000 0.987 156 G CA 0.677 45.829 45.100 0.086 0.000 0.625 156 G HN 0.540 nan 8.290 nan 0.000 0.532 157 R N -0.856 119.853 120.500 0.348 0.000 2.407 157 R HA 0.430 4.784 4.340 0.023 0.000 0.303 157 R C -0.210 176.381 176.300 0.485 0.000 0.981 157 R CA -0.880 55.491 56.100 0.452 0.000 0.905 157 R CB 0.933 31.525 30.300 0.486 0.000 1.099 157 R HN 0.222 nan 8.270 nan 0.000 0.459 158 W N 3.735 125.185 121.300 0.251 0.000 2.251 158 W HA 0.070 4.743 4.660 0.023 0.000 0.327 158 W C 0.054 176.450 176.519 -0.205 0.000 1.361 158 W CA 0.023 57.240 57.345 -0.213 0.000 1.234 158 W CB 0.668 29.989 29.460 -0.230 0.000 1.212 158 W HN 0.335 nan 8.180 nan 0.000 0.557 159 V N 5.275 124.418 119.914 -1.285 0.000 2.627 159 V HA 0.542 4.676 4.120 0.023 0.000 0.239 159 V C 1.069 176.126 176.094 -1.728 0.000 1.077 159 V CA 1.038 62.549 62.300 -1.315 0.000 1.103 159 V CB -0.482 30.622 31.823 -1.198 0.000 0.802 159 V HN 0.834 nan 8.190 nan 0.000 0.482 160 G N -1.705 105.840 108.800 -2.092 0.000 2.340 160 G HA2 0.453 4.427 3.960 0.023 0.000 0.299 160 G HA3 0.453 4.427 3.960 0.023 0.000 0.299 160 G C -2.433 172.053 174.900 -0.689 0.000 1.291 160 G CA -0.252 44.025 45.100 -1.371 0.000 0.841 160 G HN 0.034 nan 8.290 nan 0.000 0.500 161 Y N -0.454 119.647 120.300 -0.332 0.000 2.562 161 Y HA 0.717 5.281 4.550 0.023 0.000 0.345 161 Y C -0.076 175.631 175.900 -0.322 0.000 1.045 161 Y CA -0.076 57.784 58.100 -0.401 0.000 1.028 161 Y CB 2.257 40.667 38.460 -0.083 0.000 1.297 161 Y HN 1.231 nan 8.280 nan 0.000 0.463 162 G N 3.701 111.622 108.800 -1.465 0.000 2.706 162 G HA2 0.594 4.568 3.960 0.023 0.000 0.297 162 G HA3 0.594 4.568 3.960 0.023 0.000 0.297 162 G C -2.092 172.325 174.900 -0.806 0.000 1.403 162 G CA -0.873 43.684 45.100 -0.905 0.000 0.954 162 G HN 0.633 nan 8.290 nan 0.000 0.500 163 Q N -0.217 119.377 119.800 -0.343 0.000 2.633 163 Q HA 0.600 4.954 4.340 0.023 0.000 0.292 163 Q C -1.361 174.638 176.000 -0.001 0.000 1.089 163 Q CA -0.886 54.846 55.803 -0.119 0.000 0.811 163 Q CB 2.604 31.331 28.738 -0.018 0.000 1.472 163 Q HN 0.631 nan 8.270 nan 0.000 0.464 164 D N -0.176 120.263 120.400 0.065 0.000 4.535 164 D HA -0.098 4.556 4.640 0.023 0.000 0.236 164 D C -0.590 175.777 176.300 0.111 0.000 1.142 164 D CA 0.421 54.475 54.000 0.090 0.000 1.102 164 D CB -0.611 40.226 40.800 0.061 0.000 0.703 164 D HN 0.537 nan 8.370 nan 0.000 0.331 165 S N 3.386 119.165 115.700 0.131 0.000 2.595 165 S HA -0.042 4.442 4.470 0.023 0.000 0.235 165 S C 1.527 176.262 174.600 0.225 0.000 0.974 165 S CA 0.421 58.731 58.200 0.183 0.000 0.942 165 S CB 0.240 63.507 63.200 0.112 0.000 0.766 165 S HN 0.459 nan 8.310 nan 0.000 0.536 166 R N 0.210 120.798 120.500 0.146 0.000 2.508 166 R HA 0.429 4.783 4.340 0.023 0.000 0.300 166 R C -0.360 175.992 176.300 0.088 0.000 0.970 166 R CA 0.073 56.253 56.100 0.133 0.000 1.102 166 R CB 0.233 30.622 30.300 0.148 0.000 1.246 166 R HN 0.322 nan 8.270 nan 0.000 0.539 167 L N 1.658 122.907 121.223 0.042 0.000 2.393 167 L HA 0.493 4.847 4.340 0.023 0.000 0.260 167 L C -2.414 174.433 176.870 -0.038 0.000 1.002 167 L CA -2.265 52.571 54.840 -0.006 0.000 0.818 167 L CB 3.147 45.196 42.059 -0.016 0.000 1.369 167 L HN -0.202 nan 8.230 nan 0.000 0.412 168 P HA 0.100 nan 4.420 nan 0.000 0.271 168 P C -0.988 176.274 177.300 -0.063 0.000 1.216 168 P CA -0.200 62.852 63.100 -0.079 0.000 0.776 168 P CB 1.166 32.781 31.700 -0.141 0.000 0.881 169 S N 2.100 117.826 115.700 0.043 0.000 2.456 169 S HA 0.318 4.802 4.470 0.023 0.000 0.316 169 S C -0.342 174.240 174.600 -0.029 0.000 1.089 169 S CA -0.598 57.592 58.200 -0.016 0.000 1.101 169 S CB 0.938 64.273 63.200 0.225 0.000 0.995 169 S HN 0.387 nan 8.310 nan 0.000 0.468 170 E N 1.932 121.910 120.200 -0.370 0.000 2.238 170 E HA 0.617 4.981 4.350 0.023 0.000 0.267 170 E C -1.412 174.826 176.600 -0.604 0.000 0.887 170 E CA -0.610 55.646 56.400 -0.241 0.000 0.769 170 E CB 1.769 31.412 29.700 -0.095 0.000 1.187 170 E HN 0.421 nan 8.360 nan 0.000 0.416 171 F N 0.365 120.370 119.950 0.092 0.000 2.588 171 F HA 0.196 4.738 4.527 0.024 0.000 0.310 171 F C -0.123 175.708 175.800 0.051 0.000 1.082 171 F CA -1.105 56.916 58.000 0.035 0.000 0.929 171 F CB 1.639 40.630 39.000 -0.015 0.000 1.254 171 F HN 0.278 nan 8.300 nan 0.000 0.455 172 D N 2.560 123.102 120.400 0.236 0.000 2.325 172 D HA 0.231 4.885 4.640 0.023 0.000 0.251 172 D C 0.298 176.754 176.300 0.259 0.000 1.196 172 D CA 0.329 54.450 54.000 0.203 0.000 0.866 172 D CB 1.002 41.904 40.800 0.169 0.000 1.101 172 D HN 0.558 nan 8.370 nan 0.000 0.476 173 L N 2.755 124.131 121.223 0.256 0.000 2.640 173 L HA 0.014 4.368 4.340 0.023 0.000 0.230 173 L C 2.123 179.238 176.870 0.408 0.000 1.123 173 L CA -0.140 54.895 54.840 0.325 0.000 0.900 173 L CB 0.071 42.273 42.059 0.239 0.000 1.146 173 L HN 0.289 nan 8.230 nan 0.000 0.484 174 S N 1.404 117.280 115.700 0.293 0.000 2.381 174 S HA -0.298 4.186 4.470 0.023 0.000 0.230 174 S C 2.004 176.709 174.600 0.175 0.000 1.052 174 S CA 1.932 60.260 58.200 0.213 0.000 1.068 174 S CB -0.185 63.096 63.200 0.135 0.000 0.918 174 S HN 0.569 nan 8.310 nan 0.000 0.448 175 A N -0.662 122.238 122.820 0.134 0.000 2.238 175 A HA 0.334 4.668 4.320 0.023 0.000 0.208 175 A C 1.276 178.740 177.584 -0.201 0.000 1.177 175 A CA 0.316 52.301 52.037 -0.086 0.000 0.804 175 A CB -0.390 18.452 19.000 -0.263 0.000 0.823 175 A HN 0.488 nan 8.150 nan 0.000 0.482 176 F N -0.779 119.211 119.950 0.066 0.000 2.720 176 F HA 0.378 4.919 4.527 0.023 0.000 0.301 176 F C 0.623 176.456 175.800 0.054 0.000 1.103 176 F CA -0.155 57.882 58.000 0.061 0.000 1.291 176 F CB 0.148 39.190 39.000 0.069 0.000 1.086 176 F HN -0.024 nan 8.300 nan 0.000 0.592 177 L N 0.932 122.302 121.223 0.245 0.000 2.416 177 L HA 0.565 4.919 4.340 0.023 0.000 0.262 177 L C 0.066 176.977 176.870 0.069 0.000 1.093 177 L CA -0.827 54.096 54.840 0.139 0.000 0.801 177 L CB 1.245 43.399 42.059 0.158 0.000 1.191 177 L HN 0.019 nan 8.230 nan 0.000 0.459 178 R N 0.669 121.172 120.500 0.005 0.000 2.808 178 R HA 0.794 5.148 4.340 0.023 0.000 0.272 178 R C -1.145 175.131 176.300 -0.041 0.000 0.995 178 R CA -0.961 55.133 56.100 -0.010 0.000 0.917 178 R CB 1.490 31.774 30.300 -0.027 0.000 1.217 178 R HN 0.536 nan 8.270 nan 0.000 0.471 179 A N 1.149 123.954 122.820 -0.024 0.000 2.520 179 A HA 0.519 4.853 4.320 0.023 0.000 0.245 179 A C 0.969 178.508 177.584 -0.074 0.000 1.072 179 A CA 1.063 53.078 52.037 -0.037 0.000 0.761 179 A CB -0.689 18.304 19.000 -0.012 0.000 1.004 179 A HN 1.323 nan 8.150 nan 0.000 0.499 180 G N 1.557 110.295 108.800 -0.104 0.000 2.418 180 G HA2 -0.044 3.930 3.960 0.023 0.000 0.206 180 G HA3 -0.044 3.930 3.960 0.023 0.000 0.206 180 G C -0.548 174.237 174.900 -0.192 0.000 1.202 180 G CA -0.257 44.770 45.100 -0.121 0.000 1.061 180 G HN 0.836 nan 8.290 nan 0.000 0.563 181 E N 1.789 121.881 120.200 -0.180 0.000 2.313 181 E HA 0.438 4.802 4.350 0.023 0.000 0.276 181 E C 0.190 176.604 176.600 -0.309 0.000 1.031 181 E CA -0.121 56.135 56.400 -0.240 0.000 0.857 181 E CB 0.755 30.361 29.700 -0.158 0.000 1.040 181 E HN 0.480 nan 8.360 nan 0.000 0.408 182 N N 1.809 120.198 118.700 -0.519 0.000 2.405 182 N HA 0.413 5.167 4.740 0.023 0.000 0.285 182 N C -0.743 174.547 175.510 -0.366 0.000 1.262 182 N CA -0.687 52.055 53.050 -0.514 0.000 0.773 182 N CB 2.598 40.625 38.487 -0.766 0.000 1.490 182 N HN 0.186 nan 8.380 nan 0.000 0.486 183 R N 1.528 121.952 120.500 -0.128 0.000 2.451 183 R HA 0.466 4.820 4.340 0.023 0.000 0.307 183 R C -1.334 175.019 176.300 0.088 0.000 0.965 183 R CA -0.438 55.659 56.100 -0.005 0.000 0.865 183 R CB 0.777 31.038 30.300 -0.064 0.000 1.174 183 R HN 0.481 nan 8.270 nan 0.000 0.455 184 L N 3.237 124.558 121.223 0.163 0.000 2.325 184 L HA 0.763 5.117 4.340 0.023 0.000 0.279 184 L C -0.241 176.662 176.870 0.054 0.000 1.054 184 L CA -0.982 53.945 54.840 0.144 0.000 0.804 184 L CB 1.916 44.053 42.059 0.131 0.000 1.200 184 L HN 0.793 nan 8.230 nan 0.000 0.436 185 A N 3.181 126.059 122.820 0.096 0.000 2.359 185 A HA 0.743 5.077 4.320 0.023 0.000 0.303 185 A C -1.065 176.797 177.584 0.463 0.000 1.066 185 A CA -0.442 51.591 52.037 -0.006 0.000 0.730 185 A CB 1.610 20.086 19.000 -0.874 0.000 1.211 185 A HN 0.374 nan 8.150 nan 0.000 0.439 186 V N 3.494 123.831 119.914 0.705 0.000 2.443 186 V HA 0.464 4.598 4.120 0.023 0.000 0.293 186 V C -0.140 176.477 176.094 0.871 0.000 1.021 186 V CA -0.287 62.435 62.300 0.704 0.000 0.848 186 V CB 1.538 33.604 31.823 0.404 0.000 0.998 186 V HN 0.964 nan 8.190 nan 0.000 0.424 187 M N 6.012 126.145 119.600 0.888 0.000 2.061 187 M HA 0.556 5.050 4.480 0.023 0.000 0.346 187 M C -1.420 175.133 176.300 0.422 0.000 1.112 187 M CA -0.420 55.228 55.300 0.581 0.000 1.021 187 M CB 1.181 34.151 32.600 0.615 0.000 1.530 187 M HN 0.472 nan 8.290 nan 0.000 0.437 188 V N 6.964 127.086 119.914 0.345 0.000 2.350 188 V HA 0.352 4.486 4.120 0.023 0.000 0.276 188 V C -0.078 176.160 176.094 0.240 0.000 1.028 188 V CA -0.625 61.882 62.300 0.345 0.000 0.860 188 V CB 1.157 33.296 31.823 0.527 0.000 0.990 188 V HN 0.797 nan 8.190 nan 0.000 0.453 189 L N 5.079 126.370 121.223 0.113 0.000 2.276 189 L HA 0.497 4.851 4.340 0.023 0.000 0.286 189 L C 1.602 178.473 176.870 0.001 0.000 1.061 189 L CA -0.345 54.479 54.840 -0.027 0.000 0.807 189 L CB 0.998 42.937 42.059 -0.200 0.000 1.177 189 L HN 0.631 nan 8.230 nan 0.000 0.429 190 R N 2.961 123.419 120.500 -0.069 0.000 2.081 190 R HA -0.067 4.287 4.340 0.023 0.000 0.235 190 R C -0.363 175.610 176.300 -0.544 0.000 1.131 190 R CA 1.375 57.208 56.100 -0.444 0.000 0.960 190 R CB 0.225 30.068 30.300 -0.762 0.000 0.856 190 R HN 0.574 nan 8.270 nan 0.000 0.436 191 W N -0.100 121.253 121.300 0.088 0.000 2.689 191 W HA 0.419 5.093 4.660 0.023 0.000 0.340 191 W C -0.415 176.200 176.519 0.161 0.000 1.060 191 W CA -0.830 56.575 57.345 0.099 0.000 1.218 191 W CB 1.859 31.382 29.460 0.105 0.000 1.410 191 W HN 0.003 nan 8.180 nan 0.000 0.528 192 S N -1.127 114.855 115.700 0.470 0.000 2.643 192 S HA 0.206 4.690 4.470 0.023 0.000 0.270 192 S C 0.085 174.938 174.600 0.421 0.000 1.166 192 S CA -0.425 58.057 58.200 0.470 0.000 0.815 192 S CB 1.194 64.644 63.200 0.416 0.000 1.139 192 S HN 0.638 nan 8.310 nan 0.000 0.472 193 D N 0.590 121.250 120.400 0.434 0.000 2.218 193 D HA 0.043 4.697 4.640 0.023 0.000 0.204 193 D C 1.856 178.477 176.300 0.534 0.000 0.976 193 D CA 1.302 55.610 54.000 0.513 0.000 0.853 193 D CB -0.790 40.177 40.800 0.278 0.000 0.939 193 D HN 0.717 nan 8.370 nan 0.000 0.481 194 G N 0.195 109.220 108.800 0.376 0.000 2.450 194 G HA2 -0.309 3.665 3.960 0.023 0.000 0.220 194 G HA3 -0.309 3.665 3.960 0.023 0.000 0.220 194 G C 1.732 176.821 174.900 0.316 0.000 1.130 194 G CA 0.917 46.210 45.100 0.321 0.000 0.760 194 G HN 0.337 nan 8.290 nan 0.000 0.557 195 S N -0.174 115.697 115.700 0.285 0.000 2.442 195 S HA -0.102 4.382 4.470 0.023 0.000 0.236 195 S C 1.886 176.599 174.600 0.189 0.000 1.007 195 S CA 0.739 59.077 58.200 0.230 0.000 0.965 195 S CB -0.397 62.932 63.200 0.215 0.000 0.773 195 S HN 0.563 nan 8.310 nan 0.000 0.504 196 Y N 1.133 121.576 120.300 0.239 0.000 2.421 196 Y HA 0.070 4.634 4.550 0.023 0.000 0.292 196 Y C 1.603 177.631 175.900 0.214 0.000 1.136 196 Y CA 0.661 58.835 58.100 0.124 0.000 1.255 196 Y CB -0.157 38.244 38.460 -0.099 0.000 0.991 196 Y HN 0.203 nan 8.280 nan 0.000 0.552 197 L N -0.350 121.076 121.223 0.338 0.000 2.667 197 L HA 0.118 4.472 4.340 0.023 0.000 0.232 197 L C 0.037 177.050 176.870 0.238 0.000 1.138 197 L CA 0.423 55.415 54.840 0.253 0.000 0.921 197 L CB 0.074 42.285 42.059 0.253 0.000 1.180 197 L HN 0.139 nan 8.230 nan 0.000 0.487 198 E N -0.161 120.192 120.200 0.255 0.000 3.646 198 E HA 0.033 4.397 4.350 0.023 0.000 0.211 198 E C -0.415 176.294 176.600 0.181 0.000 1.034 198 E CA -0.071 56.462 56.400 0.223 0.000 1.341 198 E CB 0.480 30.304 29.700 0.207 0.000 1.202 198 E HN 0.037 nan 8.360 nan 0.000 0.447 199 D N 1.035 121.497 120.400 0.103 0.000 2.538 199 D HA 0.013 4.667 4.640 0.023 0.000 0.234 199 D C -0.194 176.099 176.300 -0.013 0.000 1.191 199 D CA -0.057 53.890 54.000 -0.088 0.000 0.828 199 D CB 0.157 40.628 40.800 -0.548 0.000 0.981 199 D HN 0.060 nan 8.370 nan 0.000 0.490 200 Q N 0.566 120.451 119.800 0.141 0.000 2.361 200 Q HA 0.070 4.424 4.340 0.023 0.000 0.276 200 Q C -0.085 176.028 176.000 0.188 0.000 1.022 200 Q CA 0.200 56.149 55.803 0.245 0.000 0.898 200 Q CB 0.577 29.605 28.738 0.482 0.000 1.246 200 Q HN 0.068 nan 8.270 nan 0.000 0.410 201 D N 3.565 124.096 120.400 0.218 0.000 2.489 201 D HA 0.138 4.792 4.640 0.023 0.000 0.237 201 D C -0.740 175.708 176.300 0.246 0.000 1.212 201 D CA 0.178 54.297 54.000 0.197 0.000 1.058 201 D CB -0.439 40.487 40.800 0.211 0.000 1.098 201 D HN 0.492 nan 8.370 nan 0.000 0.509 202 M N 0.083 119.790 119.600 0.177 0.000 3.084 202 M HA 0.390 4.884 4.480 0.023 0.000 0.273 202 M C -1.249 175.112 176.300 0.102 0.000 1.242 202 M CA -1.200 54.117 55.300 0.027 0.000 0.819 202 M CB 0.965 33.488 32.600 -0.129 0.000 1.625 202 M HN -0.114 nan 8.290 nan 0.000 0.493 203 W N 2.155 123.525 121.300 0.117 0.000 2.223 203 W HA 0.285 4.959 4.660 0.023 0.000 0.334 203 W C 0.233 176.766 176.519 0.024 0.000 1.334 203 W CA 0.009 57.415 57.345 0.101 0.000 1.246 203 W CB 0.301 29.756 29.460 -0.010 0.000 1.184 203 W HN 0.267 nan 8.180 nan 0.000 0.563 204 R N 4.985 125.657 120.500 0.287 0.000 2.204 204 R HA 0.428 4.782 4.340 0.023 0.000 0.341 204 R C -0.128 176.196 176.300 0.039 0.000 1.035 204 R CA -0.247 55.951 56.100 0.162 0.000 0.887 204 R CB 0.180 30.647 30.300 0.278 0.000 1.114 204 R HN 0.553 nan 8.270 nan 0.000 0.473 205 M N 0.338 119.846 119.600 -0.153 0.000 2.788 205 M HA 0.524 5.018 4.480 0.023 0.000 0.291 205 M C -0.069 175.890 176.300 -0.570 0.000 1.213 205 M CA -0.826 54.260 55.300 -0.357 0.000 0.768 205 M CB 2.462 34.845 32.600 -0.362 0.000 1.766 205 M HN 0.657 nan 8.290 nan 0.000 0.460 206 S N -1.076 114.137 115.700 -0.812 0.000 2.611 206 S HA 0.973 5.457 4.470 0.023 0.000 0.268 206 S C -0.589 173.439 174.600 -0.954 0.000 1.156 206 S CA -0.163 57.471 58.200 -0.943 0.000 0.817 206 S CB 1.905 64.408 63.200 -1.161 0.000 1.122 206 S HN 1.449 nan 8.310 nan 0.000 0.466 207 G N -0.082 108.407 108.800 -0.519 0.000 2.331 207 G HA2 0.184 4.158 3.960 0.023 0.000 0.402 207 G HA3 0.184 4.158 3.960 0.023 0.000 0.402 207 G C -1.504 173.385 174.900 -0.018 0.000 1.275 207 G CA -0.615 44.488 45.100 0.004 0.000 1.003 207 G HN 1.133 nan 8.290 nan 0.000 0.500 208 I N 2.079 122.494 120.570 -0.258 0.000 2.276 208 I HA 0.285 4.469 4.170 0.023 0.000 0.290 208 I C 1.144 177.118 176.117 -0.240 0.000 1.109 208 I CA -0.260 60.786 61.300 -0.424 0.000 1.229 208 I CB -0.092 37.360 38.000 -0.913 0.000 1.452 208 I HN 0.517 nan 8.210 nan 0.000 0.497 209 F N 4.359 124.138 119.950 -0.285 0.000 2.727 209 F HA 0.460 5.001 4.527 0.023 0.000 0.302 209 F C 0.749 176.454 175.800 -0.159 0.000 1.097 209 F CA -0.470 57.398 58.000 -0.220 0.000 1.330 209 F CB 0.140 39.017 39.000 -0.206 0.000 1.084 209 F HN 0.148 nan 8.300 nan 0.000 0.578 210 R N 0.396 120.470 120.500 -0.709 0.000 2.922 210 R HA 0.225 4.579 4.340 0.023 0.000 0.256 210 R C -0.812 175.262 176.300 -0.378 0.000 1.138 210 R CA -1.160 54.620 56.100 -0.533 0.000 0.995 210 R CB 0.742 30.613 30.300 -0.716 0.000 1.226 210 R HN -0.041 nan 8.270 nan 0.000 0.481 211 D N 0.816 121.042 120.400 -0.289 0.000 2.443 211 D HA 0.091 4.745 4.640 0.023 0.000 0.234 211 D C -0.506 175.635 176.300 -0.265 0.000 1.172 211 D CA 0.510 54.377 54.000 -0.223 0.000 0.878 211 D CB 0.630 41.343 40.800 -0.144 0.000 1.204 211 D HN -0.005 nan 8.370 nan 0.000 0.453 212 V N 1.186 120.950 119.914 -0.250 0.000 2.540 212 V HA 0.584 4.718 4.120 0.023 0.000 0.302 212 V C -0.015 175.937 176.094 -0.237 0.000 1.035 212 V CA -0.527 61.563 62.300 -0.349 0.000 0.873 212 V CB 1.632 33.238 31.823 -0.362 0.000 0.992 212 V HN 0.780 nan 8.190 nan 0.000 0.428 213 S N 4.524 120.067 115.700 -0.261 0.000 2.625 213 S HA 0.819 5.303 4.470 0.023 0.000 0.271 213 S C -1.350 173.186 174.600 -0.107 0.000 1.161 213 S CA -0.981 57.138 58.200 -0.135 0.000 0.820 213 S CB 1.800 64.962 63.200 -0.064 0.000 1.137 213 S HN 0.441 nan 8.310 nan 0.000 0.470 214 L N 1.418 122.646 121.223 0.009 0.000 2.333 214 L HA 0.690 5.044 4.340 0.023 0.000 0.280 214 L C -1.390 175.666 176.870 0.310 0.000 1.004 214 L CA -0.840 54.094 54.840 0.156 0.000 0.820 214 L CB 1.648 43.823 42.059 0.194 0.000 1.247 214 L HN 0.680 nan 8.230 nan 0.000 0.416 215 L N 3.302 124.685 121.223 0.266 0.000 2.356 215 L HA 0.472 4.826 4.340 0.023 0.000 0.277 215 L C -0.725 176.181 176.870 0.061 0.000 0.996 215 L CA -0.101 54.836 54.840 0.162 0.000 0.822 215 L CB 1.422 43.534 42.059 0.089 0.000 1.256 215 L HN 0.487 nan 8.230 nan 0.000 0.413 216 H N 5.341 124.219 119.070 -0.320 0.000 2.519 216 H HA 0.474 5.044 4.556 0.024 0.000 0.316 216 H C -1.211 173.909 175.328 -0.346 0.000 1.065 216 H CA -0.540 55.183 56.048 -0.541 0.000 1.264 216 H CB 1.075 29.978 29.762 -1.431 0.000 1.413 216 H HN 0.555 nan 8.280 nan 0.000 0.465 217 K N 5.574 125.629 120.400 -0.576 0.000 2.328 217 K HA 0.386 4.720 4.320 0.023 0.000 0.246 217 K C -2.683 173.670 176.600 -0.412 0.000 0.955 217 K CA -2.021 54.050 56.287 -0.359 0.000 0.817 217 K CB 2.152 34.504 32.500 -0.247 0.000 1.208 217 K HN 0.489 nan 8.250 nan 0.000 0.432 218 P HA 0.168 nan 4.420 nan 0.000 0.276 218 P C 0.420 177.647 177.300 -0.123 0.000 1.252 218 P CA -0.215 62.814 63.100 -0.119 0.000 0.802 218 P CB 0.473 32.143 31.700 -0.050 0.000 1.035 219 T N -0.960 113.547 114.554 -0.078 0.000 2.788 219 T HA -0.045 4.319 4.350 0.023 0.000 0.268 219 T C 0.634 175.292 174.700 -0.070 0.000 1.044 219 T CA 1.596 63.655 62.100 -0.068 0.000 1.139 219 T CB -0.614 68.232 68.868 -0.037 0.000 0.867 219 T HN 0.430 nan 8.240 nan 0.000 0.454 220 T N 3.860 118.379 114.554 -0.059 0.000 2.747 220 T HA 0.421 4.785 4.350 0.023 0.000 0.301 220 T C -0.163 174.491 174.700 -0.077 0.000 0.952 220 T CA -0.568 61.489 62.100 -0.072 0.000 0.983 220 T CB 0.386 69.227 68.868 -0.045 0.000 0.930 220 T HN 0.496 nan 8.240 nan 0.000 0.494 221 Q N 2.418 122.156 119.800 -0.103 0.000 2.553 221 Q HA 0.620 4.974 4.340 0.023 0.000 0.293 221 Q C -1.140 174.791 176.000 -0.114 0.000 1.038 221 Q CA -1.198 54.535 55.803 -0.116 0.000 0.777 221 Q CB 1.316 29.967 28.738 -0.145 0.000 1.487 221 Q HN 0.427 nan 8.270 nan 0.000 0.426 222 I N 2.519 122.998 120.570 -0.152 0.000 2.452 222 I HA 0.009 4.193 4.170 0.023 0.000 0.287 222 I C 0.707 176.728 176.117 -0.160 0.000 1.079 222 I CA 0.097 61.324 61.300 -0.122 0.000 1.387 222 I CB 1.040 38.922 38.000 -0.197 0.000 1.404 222 I HN 0.879 nan 8.210 nan 0.000 0.522 223 S N 2.656 118.367 115.700 0.019 0.000 2.511 223 S HA 0.216 4.700 4.470 0.023 0.000 0.214 223 S C 0.139 174.959 174.600 0.366 0.000 0.997 223 S CA -0.302 57.980 58.200 0.135 0.000 0.908 223 S CB 0.296 63.533 63.200 0.063 0.000 0.803 223 S HN 0.713 nan 8.310 nan 0.000 0.504 224 D N -0.205 120.397 120.400 0.338 0.000 2.728 224 D HA 0.511 5.165 4.640 0.023 0.000 0.249 224 D C -1.916 174.544 176.300 0.266 0.000 1.225 224 D CA -0.678 53.507 54.000 0.308 0.000 0.748 224 D CB 1.579 42.440 40.800 0.101 0.000 1.326 224 D HN 0.203 nan 8.370 nan 0.000 0.426 225 F N -0.659 119.335 119.950 0.074 0.000 2.650 225 F HA 0.591 5.132 4.527 0.024 0.000 0.310 225 F C -1.556 174.275 175.800 0.052 0.000 1.112 225 F CA -0.797 57.178 58.000 -0.041 0.000 0.986 225 F CB 1.156 40.181 39.000 0.041 0.000 1.285 225 F HN 0.241 nan 8.300 nan 0.000 0.440 226 H N 1.670 120.790 119.070 0.083 0.000 2.538 226 H HA 0.764 5.334 4.556 0.024 0.000 0.353 226 H C -1.289 174.075 175.328 0.060 0.000 1.109 226 H CA -1.497 54.541 56.048 -0.017 0.000 1.192 226 H CB 2.667 32.411 29.762 -0.029 0.000 1.555 226 H HN 0.613 nan 8.280 nan 0.000 0.518 227 V N 2.272 122.280 119.914 0.156 0.000 2.495 227 V HA 0.655 4.789 4.120 0.023 0.000 0.298 227 V C -0.299 175.789 176.094 -0.010 0.000 1.031 227 V CA -0.533 61.816 62.300 0.081 0.000 0.871 227 V CB 1.341 33.206 31.823 0.069 0.000 0.988 227 V HN 0.925 nan 8.190 nan 0.000 0.432 228 A N 3.217 126.008 122.820 -0.047 0.000 2.401 228 A HA 0.937 5.271 4.320 0.023 0.000 0.310 228 A C -0.150 177.329 177.584 -0.174 0.000 1.075 228 A CA -0.494 51.494 52.037 -0.083 0.000 0.746 228 A CB 1.978 20.950 19.000 -0.046 0.000 1.277 228 A HN 0.930 nan 8.150 nan 0.000 0.425 229 T N -0.053 114.377 114.554 -0.207 0.000 2.864 229 T HA 0.704 5.068 4.350 0.023 0.000 0.299 229 T C -0.528 173.939 174.700 -0.390 0.000 1.011 229 T CA -0.635 61.242 62.100 -0.372 0.000 0.975 229 T CB 0.693 69.245 68.868 -0.526 0.000 0.962 229 T HN 0.691 nan 8.240 nan 0.000 0.448 230 R N 2.185 122.384 120.500 -0.503 0.000 2.711 230 R HA 0.792 5.146 4.340 0.023 0.000 0.284 230 R C -1.140 174.782 176.300 -0.629 0.000 0.968 230 R CA -0.773 55.119 56.100 -0.347 0.000 0.924 230 R CB 1.611 31.833 30.300 -0.131 0.000 1.162 230 R HN 0.537 nan 8.270 nan 0.000 0.465 231 F N 0.281 120.213 119.950 -0.030 0.000 2.611 231 F HA 0.357 4.897 4.527 0.021 0.000 0.324 231 F C 0.529 176.193 175.800 -0.226 0.000 1.061 231 F CA -1.132 56.792 58.000 -0.127 0.000 0.954 231 F CB 0.980 39.816 39.000 -0.273 0.000 1.301 231 F HN 0.529 nan 8.300 nan 0.000 0.482 232 N N -0.128 118.554 118.700 -0.030 0.000 2.364 232 N HA 0.070 4.824 4.740 0.023 0.000 0.264 232 N C 0.477 175.831 175.510 -0.260 0.000 1.263 232 N CA -0.186 52.804 53.050 -0.099 0.000 0.959 232 N CB 0.043 38.499 38.487 -0.051 0.000 1.204 232 N HN 0.672 nan 8.380 nan 0.000 0.550 233 D N -1.344 118.956 120.400 -0.167 0.000 2.182 233 D HA -0.233 4.421 4.640 0.023 0.000 0.201 233 D C 0.175 176.384 176.300 -0.152 0.000 0.986 233 D CA 1.538 55.441 54.000 -0.162 0.000 0.847 233 D CB -0.506 40.264 40.800 -0.051 0.000 0.942 233 D HN 0.726 nan 8.370 nan 0.000 0.467 234 D N -1.803 118.556 120.400 -0.068 0.000 2.501 234 D HA 0.047 4.701 4.640 0.023 0.000 0.226 234 D C 0.108 176.558 176.300 0.249 0.000 1.198 234 D CA -0.961 53.113 54.000 0.123 0.000 0.830 234 D CB -1.030 39.843 40.800 0.122 0.000 1.014 234 D HN 0.190 nan 8.370 nan 0.000 0.496 235 F N 0.275 120.280 119.950 0.092 0.000 2.914 235 F HA -0.300 4.240 4.527 0.022 0.000 0.304 235 F C 1.673 177.554 175.800 0.136 0.000 0.712 235 F CA 0.855 58.921 58.000 0.110 0.000 1.211 235 F CB -2.432 36.537 39.000 -0.052 0.000 1.515 235 F HN 0.210 nan 8.300 nan 0.000 0.350 236 S N -0.696 115.111 115.700 0.178 0.000 2.558 236 S HA 0.204 4.688 4.470 0.023 0.000 0.217 236 S C 0.644 175.302 174.600 0.097 0.000 0.975 236 S CA -0.034 58.244 58.200 0.130 0.000 0.912 236 S CB 0.286 63.536 63.200 0.084 0.000 0.776 236 S HN 0.403 nan 8.310 nan 0.000 0.526 237 R N 0.411 120.975 120.500 0.106 0.000 2.651 237 R HA 0.822 5.176 4.340 0.023 0.000 0.278 237 R C -1.260 175.073 176.300 0.055 0.000 1.010 237 R CA -0.476 55.654 56.100 0.051 0.000 0.896 237 R CB 1.950 32.255 30.300 0.008 0.000 1.211 237 R HN 0.193 nan 8.270 nan 0.000 0.456 238 A N 1.435 124.233 122.820 -0.037 0.000 2.527 238 A HA 0.752 5.086 4.320 0.023 0.000 0.293 238 A C -1.231 176.277 177.584 -0.128 0.000 1.117 238 A CA -0.725 51.212 52.037 -0.167 0.000 0.723 238 A CB 2.245 21.121 19.000 -0.207 0.000 1.313 238 A HN 0.325 nan 8.150 nan 0.000 0.411 239 V N 1.227 121.035 119.914 -0.177 0.000 2.444 239 V HA 0.422 4.556 4.120 0.023 0.000 0.294 239 V C -0.582 175.445 176.094 -0.113 0.000 1.022 239 V CA -0.319 61.916 62.300 -0.109 0.000 0.850 239 V CB 1.345 33.106 31.823 -0.104 0.000 0.992 239 V HN 0.792 nan 8.190 nan 0.000 0.426 240 L N 4.537 125.736 121.223 -0.041 0.000 2.265 240 L HA 0.571 4.925 4.340 0.023 0.000 0.288 240 L C 0.056 176.884 176.870 -0.070 0.000 1.058 240 L CA 0.211 55.004 54.840 -0.078 0.000 0.809 240 L CB 0.974 43.026 42.059 -0.013 0.000 1.179 240 L HN 0.779 nan 8.230 nan 0.000 0.429 241 E N 4.254 124.408 120.200 -0.077 0.000 2.165 241 E HA 0.658 5.022 4.350 0.023 0.000 0.266 241 E C -1.404 175.189 176.600 -0.011 0.000 0.889 241 E CA -0.771 55.604 56.400 -0.041 0.000 0.756 241 E CB 1.617 31.293 29.700 -0.039 0.000 1.131 241 E HN 0.704 nan 8.360 nan 0.000 0.411 242 A N 4.678 127.499 122.820 0.002 0.000 2.310 242 A HA 0.309 4.643 4.320 0.023 0.000 0.304 242 A C -0.707 176.894 177.584 0.028 0.000 1.231 242 A CA -0.668 51.393 52.037 0.040 0.000 0.799 242 A CB 0.973 19.996 19.000 0.039 0.000 1.162 242 A HN 0.722 nan 8.150 nan 0.000 0.486 243 E N 2.756 122.980 120.200 0.040 0.000 2.174 243 E HA 0.559 4.923 4.350 0.023 0.000 0.282 243 E C -1.405 175.177 176.600 -0.029 0.000 0.992 243 E CA -0.402 55.985 56.400 -0.021 0.000 0.803 243 E CB 1.245 30.915 29.700 -0.049 0.000 1.090 243 E HN 0.357 nan 8.360 nan 0.000 0.396 244 V N 4.516 124.430 119.914 -0.000 0.000 2.604 244 V HA 0.326 4.460 4.120 0.023 0.000 0.305 244 V C -0.475 175.701 176.094 0.136 0.000 1.043 244 V CA -0.778 61.568 62.300 0.077 0.000 0.888 244 V CB 1.720 33.572 31.823 0.048 0.000 0.995 244 V HN 0.771 nan 8.190 nan 0.000 0.429 245 Q N 3.763 123.642 119.800 0.132 0.000 2.387 245 Q HA 0.855 5.209 4.340 0.023 0.000 0.273 245 Q C -0.885 175.171 176.000 0.093 0.000 1.089 245 Q CA -0.870 54.998 55.803 0.110 0.000 0.824 245 Q CB 2.767 31.499 28.738 -0.010 0.000 1.367 245 Q HN 0.828 nan 8.270 nan 0.000 0.443 246 M N -1.083 118.471 119.600 -0.077 0.000 2.690 246 M HA 0.777 5.271 4.480 0.023 0.000 0.302 246 M C -1.371 174.807 176.300 -0.203 0.000 1.234 246 M CA -0.487 54.689 55.300 -0.207 0.000 0.853 246 M CB 1.709 33.976 32.600 -0.555 0.000 1.748 246 M HN 0.506 nan 8.290 nan 0.000 0.469 247 C N 0.898 120.100 119.300 -0.162 0.000 2.634 247 C HA 1.038 5.512 4.460 0.023 0.000 0.313 247 C C 0.568 175.475 174.990 -0.139 0.000 1.198 247 C CA 0.618 59.562 59.018 -0.124 0.000 1.605 247 C CB 1.043 28.742 27.740 -0.068 0.000 2.196 247 C HN 1.380 nan 8.230 nan 0.000 0.486 248 G N 1.922 110.651 108.800 -0.118 0.000 2.331 248 G HA2 0.095 4.069 3.960 0.023 0.000 0.479 248 G HA3 0.095 4.069 3.960 0.023 0.000 0.479 248 G C -1.188 173.640 174.900 -0.120 0.000 1.262 248 G CA -0.433 44.604 45.100 -0.106 0.000 1.029 248 G HN 0.938 nan 8.290 nan 0.000 0.487 249 E N -0.333 119.804 120.200 -0.105 0.000 2.259 249 E HA 0.551 4.915 4.350 0.023 0.000 0.281 249 E C 0.229 176.732 176.600 -0.161 0.000 1.027 249 E CA -0.679 55.656 56.400 -0.109 0.000 0.838 249 E CB 0.643 30.298 29.700 -0.075 0.000 1.066 249 E HN 0.506 nan 8.360 nan 0.000 0.401 250 L N 4.639 125.760 121.223 -0.171 0.000 2.397 250 L HA 0.391 4.745 4.340 0.023 0.000 0.271 250 L C 0.317 177.056 176.870 -0.217 0.000 1.148 250 L CA -0.313 54.402 54.840 -0.208 0.000 0.825 250 L CB 0.616 42.575 42.059 -0.167 0.000 1.117 250 L HN 0.546 nan 8.230 nan 0.000 0.456 251 R N 1.436 121.755 120.500 -0.302 0.000 2.698 251 R HA 0.192 4.546 4.340 0.023 0.000 0.275 251 R C -0.292 175.788 176.300 -0.367 0.000 1.001 251 R CA -0.800 55.029 56.100 -0.452 0.000 0.896 251 R CB 1.540 31.207 30.300 -1.055 0.000 1.218 251 R HN 0.529 nan 8.270 nan 0.000 0.462 252 D N 1.071 121.336 120.400 -0.226 0.000 2.221 252 D HA -0.158 4.496 4.640 0.023 0.000 0.204 252 D C 1.547 177.827 176.300 -0.034 0.000 0.982 252 D CA 1.624 55.576 54.000 -0.080 0.000 0.857 252 D CB 0.100 40.895 40.800 -0.007 0.000 0.934 252 D HN 0.588 nan 8.370 nan 0.000 0.475 253 Y N 0.065 120.377 120.300 0.019 0.000 2.583 253 Y HA 0.211 4.775 4.550 0.024 0.000 0.293 253 Y C 0.803 176.704 175.900 0.001 0.000 1.157 253 Y CA -0.380 57.727 58.100 0.012 0.000 1.315 253 Y CB -0.928 37.541 38.460 0.014 0.000 1.021 253 Y HN -0.188 nan 8.280 nan 0.000 0.536 254 L N 2.585 123.762 121.223 -0.077 0.000 2.461 254 L HA 0.288 4.642 4.340 0.023 0.000 0.272 254 L C 0.295 177.139 176.870 -0.044 0.000 1.197 254 L CA -0.015 54.835 54.840 0.017 0.000 0.836 254 L CB 0.420 42.523 42.059 0.072 0.000 1.105 254 L HN 0.173 nan 8.230 nan 0.000 0.477 255 R N 1.586 121.953 120.500 -0.222 0.000 2.739 255 R HA 0.678 5.032 4.340 0.023 0.000 0.271 255 R C -1.591 174.365 176.300 -0.573 0.000 1.010 255 R CA -0.806 55.016 56.100 -0.464 0.000 0.897 255 R CB 2.201 32.068 30.300 -0.721 0.000 1.236 255 R HN 0.274 nan 8.270 nan 0.000 0.466 256 V N 0.988 120.615 119.914 -0.479 0.000 2.588 256 V HA 0.476 4.610 4.120 0.023 0.000 0.304 256 V C -0.389 175.658 176.094 -0.079 0.000 1.042 256 V CA -0.520 61.600 62.300 -0.301 0.000 0.877 256 V CB 2.338 33.910 31.823 -0.419 0.000 0.996 256 V HN 0.725 nan 8.190 nan 0.000 0.425 257 T N 4.082 118.707 114.554 0.118 0.000 2.807 257 T HA 0.616 4.980 4.350 0.023 0.000 0.279 257 T C -0.658 174.061 174.700 0.032 0.000 0.993 257 T CA -0.356 61.813 62.100 0.115 0.000 0.970 257 T CB 1.649 70.610 68.868 0.156 0.000 0.950 257 T HN 0.337 nan 8.240 nan 0.000 0.441 258 V N 3.770 123.684 119.914 -0.001 0.000 2.409 258 V HA 0.688 4.822 4.120 0.023 0.000 0.291 258 V C 0.017 176.115 176.094 0.007 0.000 1.020 258 V CA -0.738 61.557 62.300 -0.008 0.000 0.848 258 V CB 1.674 33.481 31.823 -0.027 0.000 0.990 258 V HN 1.021 nan 8.190 nan 0.000 0.430 259 S N 5.617 121.349 115.700 0.053 0.000 2.536 259 S HA 0.870 5.354 4.470 0.023 0.000 0.298 259 S C -1.178 173.453 174.600 0.053 0.000 1.083 259 S CA -0.723 57.497 58.200 0.033 0.000 0.995 259 S CB 2.037 65.303 63.200 0.111 0.000 1.058 259 S HN 0.617 nan 8.310 nan 0.000 0.488 260 L N 2.662 123.793 121.223 -0.153 0.000 2.362 260 L HA 0.826 5.180 4.340 0.023 0.000 0.275 260 L C -2.078 174.655 176.870 -0.229 0.000 0.998 260 L CA -0.336 54.500 54.840 -0.007 0.000 0.820 260 L CB 1.145 43.227 42.059 0.040 0.000 1.270 260 L HN 0.896 nan 8.230 nan 0.000 0.415 261 W N 3.609 125.012 121.300 0.172 0.000 2.702 261 W HA 0.611 5.285 4.660 0.023 0.000 0.331 261 W C -0.634 175.973 176.519 0.146 0.000 1.049 261 W CA -0.522 56.899 57.345 0.126 0.000 1.230 261 W CB 1.503 30.988 29.460 0.042 0.000 1.408 261 W HN 0.397 nan 8.180 nan 0.000 0.492 262 Q N 2.544 122.470 119.800 0.210 0.000 2.462 262 Q HA 0.523 4.877 4.340 0.023 0.000 0.247 262 Q C 0.632 176.643 176.000 0.018 0.000 1.044 262 Q CA 0.341 56.090 55.803 -0.090 0.000 0.803 262 Q CB 0.600 29.177 28.738 -0.267 0.000 1.190 262 Q HN 0.757 nan 8.270 nan 0.000 0.507 263 G N 3.280 112.098 108.800 0.030 0.000 2.611 263 G HA2 -0.374 3.600 3.960 0.023 0.000 0.301 263 G HA3 -0.374 3.600 3.960 0.023 0.000 0.301 263 G C 0.645 175.628 174.900 0.137 0.000 1.233 263 G CA 0.351 45.479 45.100 0.047 0.000 0.993 263 G HN 0.617 nan 8.290 nan 0.000 0.553 264 E N 0.818 121.085 120.200 0.112 0.000 2.481 264 E HA 0.092 4.456 4.350 0.023 0.000 0.195 264 E C 0.584 177.374 176.600 0.317 0.000 1.047 264 E CA 0.767 57.260 56.400 0.156 0.000 0.867 264 E CB -0.043 29.695 29.700 0.063 0.000 0.858 264 E HN 0.393 nan 8.360 nan 0.000 0.513 265 T N 0.999 115.707 114.554 0.257 0.000 2.806 265 T HA 0.110 4.474 4.350 0.023 0.000 0.290 265 T C -0.141 174.584 174.700 0.042 0.000 0.966 265 T CA -0.307 61.890 62.100 0.162 0.000 1.060 265 T CB 1.575 70.475 68.868 0.052 0.000 0.927 265 T HN 0.027 nan 8.240 nan 0.000 0.485 266 Q N 3.308 122.919 119.800 -0.315 0.000 2.323 266 Q HA 0.231 4.585 4.340 0.023 0.000 0.257 266 Q C 0.518 176.231 176.000 -0.477 0.000 1.022 266 Q CA -0.360 54.870 55.803 -0.955 0.000 0.919 266 Q CB 0.573 28.629 28.738 -1.137 0.000 1.220 266 Q HN 0.556 nan 8.270 nan 0.000 0.427 267 V N 3.194 122.877 119.914 -0.387 0.000 2.446 267 V HA 0.130 4.264 4.120 0.023 0.000 0.244 267 V C 0.515 176.496 176.094 -0.188 0.000 1.039 267 V CA 1.545 63.740 62.300 -0.174 0.000 1.045 267 V CB 0.015 31.837 31.823 -0.002 0.000 0.681 267 V HN 0.827 nan 8.190 nan 0.000 0.459 268 A N -1.465 121.211 122.820 -0.240 0.000 2.599 268 A HA 0.777 5.111 4.320 0.023 0.000 0.290 268 A C -0.783 176.686 177.584 -0.190 0.000 1.101 268 A CA 0.082 52.016 52.037 -0.172 0.000 0.674 268 A CB 1.912 20.847 19.000 -0.108 0.000 1.277 268 A HN 0.117 nan 8.150 nan 0.000 0.419 269 S N -1.104 114.518 115.700 -0.130 0.000 2.542 269 S HA 0.720 5.204 4.470 0.023 0.000 0.276 269 S C -0.614 173.949 174.600 -0.061 0.000 1.148 269 S CA 0.266 58.407 58.200 -0.098 0.000 0.886 269 S CB 1.409 64.543 63.200 -0.110 0.000 1.109 269 S HN 2.338 nan 8.310 nan 0.000 0.458 270 G N 1.735 110.511 108.800 -0.040 0.000 2.667 270 G HA2 0.683 4.657 3.960 0.023 0.000 0.298 270 G HA3 0.683 4.657 3.960 0.023 0.000 0.298 270 G C -1.367 173.522 174.900 -0.018 0.000 1.377 270 G CA -0.455 44.625 45.100 -0.033 0.000 0.964 270 G HN 0.718 nan 8.290 nan 0.000 0.493 271 T N -0.225 114.321 114.554 -0.013 0.000 2.893 271 T HA 0.841 5.205 4.350 0.023 0.000 0.293 271 T C -0.351 174.323 174.700 -0.043 0.000 1.027 271 T CA -0.049 62.053 62.100 0.003 0.000 0.988 271 T CB 1.817 70.723 68.868 0.064 0.000 1.043 271 T HN 1.499 nan 8.240 nan 0.000 0.461 272 A N 3.361 126.120 122.820 -0.102 0.000 2.612 272 A HA 0.916 5.250 4.320 0.023 0.000 0.293 272 A C -3.102 174.352 177.584 -0.216 0.000 1.075 272 A CA -1.622 50.337 52.037 -0.130 0.000 0.680 272 A CB 1.286 20.206 19.000 -0.133 0.000 1.279 272 A HN 0.533 nan 8.150 nan 0.000 0.411 273 P HA 0.527 nan 4.420 nan 0.000 0.278 273 P C -0.553 176.609 177.300 -0.230 0.000 1.266 273 P CA -0.292 62.709 63.100 -0.165 0.000 0.807 273 P CB 0.323 31.992 31.700 -0.052 0.000 1.094 274 F N -0.111 119.802 119.950 -0.063 0.000 2.444 274 F HA 0.464 5.005 4.527 0.023 0.000 0.331 274 F C 1.461 177.245 175.800 -0.026 0.000 1.167 274 F CA 1.573 59.546 58.000 -0.045 0.000 1.262 274 F CB 0.224 39.192 39.000 -0.054 0.000 1.196 274 F HN 0.566 nan 8.300 nan 0.000 0.583 275 G N 1.509 110.425 108.800 0.193 0.000 2.789 275 G HA2 0.362 4.336 3.960 0.023 0.000 0.353 275 G HA3 0.362 4.336 3.960 0.023 0.000 0.353 275 G C -0.538 174.415 174.900 0.088 0.000 1.220 275 G CA -0.721 44.451 45.100 0.121 0.000 1.204 275 G HN 1.035 nan 8.290 nan 0.000 0.574 276 G N 0.641 109.513 108.800 0.120 0.000 2.543 276 G HA2 0.749 4.723 3.960 0.023 0.000 0.290 276 G HA3 0.749 4.723 3.960 0.023 0.000 0.290 276 G C 0.396 175.341 174.900 0.075 0.000 1.310 276 G CA 0.002 45.162 45.100 0.101 0.000 1.025 276 G HN 1.126 nan 8.290 nan 0.000 0.502 277 E N -1.064 119.175 120.200 0.065 0.000 2.392 277 E HA 0.280 4.644 4.350 0.023 0.000 0.256 277 E C -0.104 176.524 176.600 0.046 0.000 1.145 277 E CA -0.662 55.765 56.400 0.044 0.000 0.929 277 E CB 0.969 30.689 29.700 0.034 0.000 0.998 277 E HN 0.304 nan 8.360 nan 0.000 0.442 278 I N 1.940 122.525 120.570 0.024 0.000 2.668 278 I HA -0.134 4.050 4.170 0.023 0.000 0.285 278 I C 0.686 176.815 176.117 0.020 0.000 1.168 278 I CA 0.079 61.386 61.300 0.011 0.000 1.424 278 I CB 0.232 38.234 38.000 0.003 0.000 1.377 278 I HN 0.624 nan 8.210 nan 0.000 0.560 279 I N 4.124 124.700 120.570 0.011 0.000 2.947 279 I HA 0.067 4.251 4.170 0.023 0.000 0.263 279 I C 0.604 176.723 176.117 0.005 0.000 1.130 279 I CA 1.020 62.335 61.300 0.026 0.000 1.448 279 I CB -0.693 37.329 38.000 0.036 0.000 1.222 279 I HN 0.688 nan 8.210 nan 0.000 0.453 280 D N -1.337 119.050 120.400 -0.021 0.000 2.921 280 D HA 0.126 4.780 4.640 0.023 0.000 0.329 280 D C 0.409 176.693 176.300 -0.026 0.000 1.293 280 D CA -0.388 53.600 54.000 -0.019 0.000 0.964 280 D CB 0.503 41.291 40.800 -0.020 0.000 1.435 280 D HN -0.275 nan 8.370 nan 0.000 0.548 281 E N -1.059 119.128 120.200 -0.022 0.000 2.265 281 E HA -0.026 4.338 4.350 0.023 0.000 0.196 281 E C 1.277 177.859 176.600 -0.030 0.000 0.996 281 E CA 0.934 57.321 56.400 -0.021 0.000 0.832 281 E CB -0.024 29.666 29.700 -0.016 0.000 0.756 281 E HN 0.205 nan 8.360 nan 0.000 0.491 282 R N -0.407 120.067 120.500 -0.044 0.000 2.334 282 R HA 0.309 4.663 4.340 0.023 0.000 0.216 282 R C 0.781 177.040 176.300 -0.070 0.000 0.905 282 R CA 0.666 56.733 56.100 -0.055 0.000 1.064 282 R CB 0.650 30.910 30.300 -0.066 0.000 1.046 282 R HN 0.208 nan 8.270 nan 0.000 0.508 283 G N -0.574 108.186 108.800 -0.065 0.000 2.408 283 G HA2 -0.099 3.875 3.960 0.023 0.000 0.204 283 G HA3 -0.099 3.875 3.960 0.023 0.000 0.204 283 G C -0.259 174.588 174.900 -0.087 0.000 1.186 283 G CA -0.613 44.449 45.100 -0.064 0.000 1.139 283 G HN 0.476 nan 8.290 nan 0.000 0.563 284 G N -2.052 106.692 108.800 -0.093 0.000 3.022 284 G HA2 0.646 4.620 3.960 0.023 0.000 0.284 284 G HA3 0.646 4.620 3.960 0.023 0.000 0.284 284 G C -1.607 173.205 174.900 -0.147 0.000 1.375 284 G CA -0.691 44.358 45.100 -0.085 0.000 0.902 284 G HN 0.798 nan 8.290 nan 0.000 0.538 285 Y N 1.181 121.494 120.300 0.021 0.000 2.504 285 Y HA 0.412 4.976 4.550 0.022 0.000 0.351 285 Y C 1.524 177.446 175.900 0.036 0.000 0.988 285 Y CA 0.234 58.349 58.100 0.024 0.000 1.239 285 Y CB 1.595 40.074 38.460 0.032 0.000 1.128 285 Y HN 0.561 nan 8.280 nan 0.000 0.525 286 A N 1.889 124.775 122.820 0.110 0.000 2.067 286 A HA -0.162 4.172 4.320 0.023 0.000 0.219 286 A C 1.382 179.030 177.584 0.106 0.000 1.158 286 A CA 1.526 53.615 52.037 0.087 0.000 0.661 286 A CB -0.305 18.707 19.000 0.020 0.000 0.801 286 A HN 0.789 nan 8.150 nan 0.000 0.452 287 D N -1.080 119.377 120.400 0.096 0.000 2.395 287 D HA 0.179 4.833 4.640 0.023 0.000 0.226 287 D C 0.481 176.835 176.300 0.090 0.000 1.146 287 D CA -0.050 53.919 54.000 -0.052 0.000 0.830 287 D CB -0.022 40.731 40.800 -0.077 0.000 0.958 287 D HN 0.384 nan 8.370 nan 0.000 0.501 288 R N -0.987 119.709 120.500 0.326 0.000 2.799 288 R HA 0.750 5.104 4.340 0.023 0.000 0.270 288 R C -1.730 174.745 176.300 0.292 0.000 1.010 288 R CA -1.138 55.160 56.100 0.331 0.000 0.916 288 R CB 2.945 33.304 30.300 0.099 0.000 1.228 288 R HN -0.021 nan 8.270 nan 0.000 0.469 289 V N 0.161 120.136 119.914 0.102 0.000 3.098 289 V HA 0.460 4.594 4.120 0.023 0.000 0.294 289 V C -1.633 174.426 176.094 -0.059 0.000 1.351 289 V CA -0.305 61.969 62.300 -0.043 0.000 0.999 289 V CB 2.754 34.428 31.823 -0.248 0.000 1.104 289 V HN 0.804 nan 8.190 nan 0.000 0.438 290 T N 7.171 121.696 114.554 -0.048 0.000 2.786 290 T HA 0.605 4.969 4.350 0.023 0.000 0.283 290 T C -0.908 173.761 174.700 -0.051 0.000 0.992 290 T CA -0.392 61.684 62.100 -0.039 0.000 0.954 290 T CB 1.037 69.895 68.868 -0.016 0.000 0.934 290 T HN 0.446 nan 8.240 nan 0.000 0.440 291 L N 3.804 124.996 121.223 -0.051 0.000 2.322 291 L HA 0.588 4.942 4.340 0.023 0.000 0.279 291 L C 0.360 177.208 176.870 -0.038 0.000 1.036 291 L CA -0.498 54.312 54.840 -0.051 0.000 0.807 291 L CB 1.511 43.537 42.059 -0.055 0.000 1.226 291 L HN 0.570 nan 8.230 nan 0.000 0.433 292 R N 4.480 124.957 120.500 -0.038 0.000 2.439 292 R HA 0.693 5.047 4.340 0.023 0.000 0.310 292 R C -1.198 175.078 176.300 -0.039 0.000 0.955 292 R CA -0.740 55.337 56.100 -0.038 0.000 0.853 292 R CB 2.061 32.339 30.300 -0.037 0.000 1.171 292 R HN 0.463 nan 8.270 nan 0.000 0.449 293 L N 2.661 123.861 121.223 -0.038 0.000 2.341 293 L HA 0.445 4.799 4.340 0.023 0.000 0.278 293 L C -0.246 176.600 176.870 -0.040 0.000 1.005 293 L CA -1.093 53.724 54.840 -0.039 0.000 0.818 293 L CB 1.868 43.908 42.059 -0.032 0.000 1.259 293 L HN 0.477 nan 8.230 nan 0.000 0.418 294 N N 2.180 120.851 118.700 -0.049 0.000 2.499 294 N HA 0.425 5.179 4.740 0.023 0.000 0.281 294 N C -0.914 174.553 175.510 -0.072 0.000 1.098 294 N CA -0.223 52.793 53.050 -0.056 0.000 0.979 294 N CB 2.628 41.084 38.487 -0.050 0.000 1.121 294 N HN 0.189 nan 8.380 nan 0.000 0.466 295 V N 2.110 121.968 119.914 -0.093 0.000 2.525 295 V HA 0.202 4.336 4.120 0.023 0.000 0.299 295 V C -0.168 175.850 176.094 -0.128 0.000 1.034 295 V CA -0.878 61.332 62.300 -0.151 0.000 0.863 295 V CB 2.038 33.675 31.823 -0.310 0.000 0.999 295 V HN 0.472 nan 8.190 nan 0.000 0.423 296 E N 2.850 122.997 120.200 -0.089 0.000 2.301 296 E HA 0.314 4.678 4.350 0.023 0.000 0.275 296 E C 0.237 176.812 176.600 -0.041 0.000 1.030 296 E CA -0.384 55.987 56.400 -0.048 0.000 0.852 296 E CB 0.694 30.376 29.700 -0.030 0.000 1.060 296 E HN 0.768 nan 8.360 nan 0.000 0.401 297 N N 0.852 119.551 118.700 -0.002 0.000 2.714 297 N HA -0.151 4.603 4.740 0.023 0.000 0.252 297 N C -2.484 173.028 175.510 0.005 0.000 1.014 297 N CA 0.051 53.114 53.050 0.023 0.000 0.735 297 N CB -1.178 37.322 38.487 0.022 0.000 0.924 297 N HN 0.313 nan 8.380 nan 0.000 0.540 298 P HA -0.020 nan 4.420 nan 0.000 0.267 298 P C -0.348 176.982 177.300 0.050 0.000 1.200 298 P CA 0.463 63.465 63.100 -0.164 0.000 0.772 298 P CB 0.655 32.098 31.700 -0.428 0.000 0.855 299 K N 2.656 123.173 120.400 0.196 0.000 2.312 299 K HA 0.275 4.609 4.320 0.023 0.000 0.287 299 K C 0.218 176.978 176.600 0.267 0.000 1.062 299 K CA -0.414 55.985 56.287 0.186 0.000 0.934 299 K CB 0.164 32.747 32.500 0.138 0.000 1.027 299 K HN 0.408 nan 8.250 nan 0.000 0.478 300 L N 2.453 123.761 121.223 0.140 0.000 2.417 300 L HA 0.255 4.609 4.340 0.023 0.000 0.268 300 L C 0.045 176.989 176.870 0.123 0.000 1.158 300 L CA -0.685 54.233 54.840 0.130 0.000 0.819 300 L CB 0.307 42.291 42.059 -0.126 0.000 1.112 300 L HN 0.613 nan 8.230 nan 0.000 0.458 301 W N 3.137 124.461 121.300 0.039 0.000 2.365 301 W HA 0.493 5.166 4.660 0.022 0.000 0.316 301 W C -0.021 176.442 176.519 -0.094 0.000 1.164 301 W CA 0.079 57.435 57.345 0.019 0.000 1.204 301 W CB 1.320 30.844 29.460 0.107 0.000 1.213 301 W HN 0.634 nan 8.180 nan 0.000 0.539 302 S N 2.956 118.112 115.700 -0.907 0.000 2.615 302 S HA 0.624 5.108 4.470 0.023 0.000 0.269 302 S C 0.072 173.886 174.600 -1.311 0.000 1.161 302 S CA -0.371 57.324 58.200 -0.842 0.000 0.817 302 S CB 1.111 64.103 63.200 -0.347 0.000 1.131 302 S HN 1.015 nan 8.310 nan 0.000 0.467 303 A N 0.406 122.613 122.820 -1.021 0.000 2.067 303 A HA 0.067 4.401 4.320 0.023 0.000 0.219 303 A C 1.758 179.013 177.584 -0.548 0.000 1.158 303 A CA 1.397 52.851 52.037 -0.971 0.000 0.661 303 A CB -0.926 17.336 19.000 -1.230 0.000 0.801 303 A HN 0.863 nan 8.150 nan 0.000 0.452 304 E N -0.749 119.267 120.200 -0.306 0.000 2.047 304 E HA 0.018 4.382 4.350 0.023 0.000 0.191 304 E C -0.258 176.194 176.600 -0.247 0.000 0.987 304 E CA 0.762 57.044 56.400 -0.196 0.000 0.799 304 E CB -0.008 29.726 29.700 0.056 0.000 0.752 304 E HN 0.608 nan 8.360 nan 0.000 0.449 305 I N 1.530 121.934 120.570 -0.277 0.000 2.540 305 I HA 0.156 4.340 4.170 0.023 0.000 0.280 305 I C -2.517 173.369 176.117 -0.385 0.000 1.083 305 I CA -1.912 59.243 61.300 -0.242 0.000 1.080 305 I CB 2.415 40.329 38.000 -0.144 0.000 1.205 305 I HN -0.209 nan 8.210 nan 0.000 0.459 306 P HA 0.102 nan 4.420 nan 0.000 0.220 306 P C -0.655 176.604 177.300 -0.070 0.000 1.806 306 P CA -0.315 62.471 63.100 -0.524 0.000 0.976 306 P CB -0.231 31.314 31.700 -0.259 0.000 1.952 307 N N 1.853 120.552 118.700 -0.001 0.000 2.447 307 N HA 0.111 4.865 4.740 0.023 0.000 0.263 307 N C 0.125 175.847 175.510 0.354 0.000 1.226 307 N CA 0.559 53.694 53.050 0.141 0.000 0.906 307 N CB 0.710 39.287 38.487 0.149 0.000 1.060 307 N HN 0.310 nan 8.380 nan 0.000 0.468 308 L N 2.200 123.565 121.223 0.236 0.000 2.350 308 L HA 0.502 4.856 4.340 0.023 0.000 0.260 308 L C -0.886 176.103 176.870 0.198 0.000 1.015 308 L CA -0.891 54.155 54.840 0.343 0.000 0.821 308 L CB 1.337 43.557 42.059 0.269 0.000 1.370 308 L HN 0.363 nan 8.230 nan 0.000 0.416 309 Y N -0.025 120.428 120.300 0.254 0.000 2.621 309 Y HA 0.688 5.252 4.550 0.024 0.000 0.334 309 Y C -0.290 175.736 175.900 0.210 0.000 1.074 309 Y CA -0.928 57.323 58.100 0.251 0.000 1.149 309 Y CB 1.730 40.403 38.460 0.354 0.000 1.302 309 Y HN 0.372 nan 8.280 nan 0.000 0.501 310 R N 0.967 121.711 120.500 0.407 0.000 2.480 310 R HA 0.822 5.176 4.340 0.023 0.000 0.306 310 R C -1.652 174.846 176.300 0.330 0.000 0.958 310 R CA -0.535 55.738 56.100 0.288 0.000 0.861 310 R CB 1.206 31.617 30.300 0.185 0.000 1.171 310 R HN 0.762 nan 8.270 nan 0.000 0.445 311 A N 3.836 126.791 122.820 0.224 0.000 2.276 311 A HA 0.628 4.962 4.320 0.023 0.000 0.316 311 A C -1.009 176.638 177.584 0.106 0.000 1.229 311 A CA -0.614 51.528 52.037 0.175 0.000 0.851 311 A CB 1.174 20.244 19.000 0.117 0.000 1.165 311 A HN 0.482 nan 8.150 nan 0.000 0.513 312 V N 3.285 123.267 119.914 0.113 0.000 2.448 312 V HA 0.416 4.550 4.120 0.023 0.000 0.295 312 V C -0.433 175.637 176.094 -0.039 0.000 1.025 312 V CA -0.521 61.785 62.300 0.011 0.000 0.859 312 V CB 1.713 33.555 31.823 0.033 0.000 0.988 312 V HN 0.617 nan 8.190 nan 0.000 0.431 313 V N 4.635 124.455 119.914 -0.156 0.000 2.334 313 V HA 0.434 4.568 4.120 0.023 0.000 0.281 313 V C -0.110 175.923 176.094 -0.102 0.000 1.016 313 V CA -0.537 61.651 62.300 -0.187 0.000 0.832 313 V CB 1.296 32.851 31.823 -0.448 0.000 0.999 313 V HN 0.927 nan 8.190 nan 0.000 0.439 314 E N 3.744 123.940 120.200 -0.007 0.000 2.166 314 E HA 0.516 4.880 4.350 0.023 0.000 0.275 314 E C -1.032 175.653 176.600 0.142 0.000 0.941 314 E CA -0.900 55.541 56.400 0.068 0.000 0.784 314 E CB 2.627 32.398 29.700 0.118 0.000 1.115 314 E HN 0.482 nan 8.360 nan 0.000 0.399 315 L N 4.535 125.819 121.223 0.102 0.000 2.272 315 L HA 0.387 4.741 4.340 0.023 0.000 0.289 315 L C -0.941 176.016 176.870 0.146 0.000 1.032 315 L CA 0.166 55.056 54.840 0.084 0.000 0.810 315 L CB 0.036 42.134 42.059 0.064 0.000 1.205 315 L HN 0.670 nan 8.230 nan 0.000 0.422 316 H N 0.296 119.401 119.070 0.058 0.000 2.942 316 H HA 0.803 5.373 4.556 0.023 0.000 0.316 316 H C -0.717 174.677 175.328 0.111 0.000 1.323 316 H CA -0.500 55.588 56.048 0.067 0.000 1.144 316 H CB 0.744 30.527 29.762 0.036 0.000 1.866 316 H HN 0.514 nan 8.280 nan 0.000 0.545 317 T N -2.252 112.431 114.554 0.216 0.000 2.927 317 T HA 0.543 4.907 4.350 0.023 0.000 0.281 317 T C 1.392 176.233 174.700 0.234 0.000 0.998 317 T CA -0.389 61.839 62.100 0.213 0.000 1.019 317 T CB 1.510 70.472 68.868 0.157 0.000 1.061 317 T HN 0.928 nan 8.240 nan 0.000 0.518 318 A N 1.293 124.220 122.820 0.179 0.000 1.978 318 A HA -0.096 4.238 4.320 0.023 0.000 0.220 318 A C 1.754 179.410 177.584 0.120 0.000 1.170 318 A CA 1.901 54.026 52.037 0.146 0.000 0.636 318 A CB -1.174 17.899 19.000 0.121 0.000 0.810 318 A HN 1.001 nan 8.150 nan 0.000 0.448 319 D N -2.471 117.976 120.400 0.078 0.000 2.363 319 D HA 0.301 4.955 4.640 0.023 0.000 0.226 319 D C 1.106 177.433 176.300 0.046 0.000 1.020 319 D CA 0.918 54.939 54.000 0.036 0.000 0.892 319 D CB -0.473 40.319 40.800 -0.014 0.000 0.900 319 D HN 0.784 nan 8.370 nan 0.000 0.531 320 G N -0.916 107.942 108.800 0.098 0.000 2.144 320 G HA2 -0.226 3.748 3.960 0.023 0.000 0.218 320 G HA3 -0.226 3.748 3.960 0.023 0.000 0.218 320 G C 0.157 175.082 174.900 0.041 0.000 0.988 320 G CA 0.113 45.238 45.100 0.041 0.000 0.659 320 G HN 0.410 nan 8.290 nan 0.000 0.522 321 T N 1.508 116.113 114.554 0.083 0.000 2.771 321 T HA 0.532 4.896 4.350 0.023 0.000 0.291 321 T C 0.302 175.065 174.700 0.105 0.000 0.954 321 T CA -0.354 61.783 62.100 0.061 0.000 1.045 321 T CB 2.055 70.947 68.868 0.040 0.000 0.917 321 T HN 0.523 nan 8.240 nan 0.000 0.484 322 L N 4.519 125.783 121.223 0.070 0.000 2.410 322 L HA 0.315 4.669 4.340 0.023 0.000 0.273 322 L C 0.788 177.711 176.870 0.088 0.000 1.152 322 L CA 0.378 55.273 54.840 0.093 0.000 0.855 322 L CB 0.004 42.087 42.059 0.040 0.000 1.129 322 L HN 0.714 nan 8.230 nan 0.000 0.463 323 I N 2.450 123.081 120.570 0.101 0.000 2.512 323 I HA 0.104 4.288 4.170 0.023 0.000 0.247 323 I C 0.318 176.458 176.117 0.039 0.000 1.094 323 I CA 0.466 61.805 61.300 0.065 0.000 1.427 323 I CB 0.197 38.237 38.000 0.067 0.000 1.149 323 I HN 0.818 nan 8.210 nan 0.000 0.438 324 E N -0.027 120.196 120.200 0.039 0.000 2.439 324 E HA 0.735 5.099 4.350 0.023 0.000 0.279 324 E C -1.398 175.222 176.600 0.034 0.000 1.077 324 E CA -1.101 55.314 56.400 0.025 0.000 0.849 324 E CB 1.778 31.460 29.700 -0.030 0.000 1.408 324 E HN -0.011 nan 8.360 nan 0.000 0.457 325 A N 0.708 123.565 122.820 0.061 0.000 2.475 325 A HA 0.727 5.061 4.320 0.023 0.000 0.301 325 A C -1.185 176.486 177.584 0.145 0.000 1.059 325 A CA -0.733 51.341 52.037 0.061 0.000 0.710 325 A CB 1.808 20.843 19.000 0.059 0.000 1.288 325 A HN 0.487 nan 8.150 nan 0.000 0.408 326 E N -0.517 119.707 120.200 0.041 0.000 2.392 326 E HA 0.835 5.199 4.350 0.023 0.000 0.269 326 E C -0.611 176.014 176.600 0.041 0.000 0.924 326 E CA -0.456 56.012 56.400 0.114 0.000 0.784 326 E CB 2.428 32.056 29.700 -0.120 0.000 1.292 326 E HN 1.266 nan 8.360 nan 0.000 0.447 327 A N -0.003 122.976 122.820 0.264 0.000 2.586 327 A HA 0.750 5.084 4.320 0.023 0.000 0.290 327 A C -1.177 176.613 177.584 0.344 0.000 1.086 327 A CA -0.391 51.737 52.037 0.153 0.000 0.665 327 A CB 0.807 19.819 19.000 0.019 0.000 1.279 327 A HN 0.878 nan 8.150 nan 0.000 0.423 328 C N -0.579 118.872 119.300 0.251 0.000 3.311 328 C HA 0.796 5.270 4.460 0.023 0.000 0.325 328 C C -1.297 173.797 174.990 0.174 0.000 1.352 328 C CA -0.914 58.254 59.018 0.248 0.000 1.308 328 C CB 1.035 28.939 27.740 0.273 0.000 1.619 328 C HN 0.824 nan 8.230 nan 0.000 0.469 329 D N 1.000 121.490 120.400 0.151 0.000 2.345 329 D HA 0.524 5.178 4.640 0.023 0.000 0.247 329 D C -0.337 176.031 176.300 0.112 0.000 1.108 329 D CA 0.219 54.309 54.000 0.149 0.000 0.894 329 D CB 1.794 42.685 40.800 0.151 0.000 1.203 329 D HN 0.548 nan 8.370 nan 0.000 0.430 330 V N 1.326 121.331 119.914 0.153 0.000 2.495 330 V HA 0.637 4.771 4.120 0.023 0.000 0.298 330 V C 0.604 176.765 176.094 0.112 0.000 1.031 330 V CA -0.801 61.532 62.300 0.055 0.000 0.871 330 V CB 1.967 33.800 31.823 0.016 0.000 0.988 330 V HN 0.592 nan 8.190 nan 0.000 0.432 331 G N 3.198 111.965 108.800 -0.056 0.000 2.422 331 G HA2 0.603 4.577 3.960 0.023 0.000 0.317 331 G HA3 0.603 4.577 3.960 0.023 0.000 0.317 331 G C -0.998 173.976 174.900 0.123 0.000 1.210 331 G CA -0.393 44.764 45.100 0.094 0.000 0.930 331 G HN 0.429 nan 8.290 nan 0.000 0.468 332 F N 3.917 124.050 119.950 0.304 0.000 2.434 332 F HA 0.434 4.974 4.527 0.023 0.000 0.358 332 F C 1.134 177.188 175.800 0.423 0.000 1.136 332 F CA -0.169 58.065 58.000 0.389 0.000 1.157 332 F CB 0.613 39.846 39.000 0.388 0.000 1.167 332 F HN 0.444 nan 8.300 nan 0.000 0.539 333 R N 3.044 123.830 120.500 0.477 0.000 2.629 333 R HA 0.412 4.766 4.340 0.023 0.000 0.266 333 R C -1.867 174.567 176.300 0.224 0.000 1.051 333 R CA -0.765 55.450 56.100 0.192 0.000 0.895 333 R CB 1.684 32.134 30.300 0.250 0.000 1.246 333 R HN 0.584 nan 8.270 nan 0.000 0.459 334 E N 2.314 122.542 120.200 0.048 0.000 2.187 334 E HA 0.468 4.832 4.350 0.023 0.000 0.268 334 E C -1.263 175.399 176.600 0.103 0.000 0.896 334 E CA -0.923 55.591 56.400 0.190 0.000 0.766 334 E CB 2.206 32.086 29.700 0.301 0.000 1.142 334 E HN 0.403 nan 8.360 nan 0.000 0.408 335 V N 5.462 125.435 119.914 0.098 0.000 2.409 335 V HA 0.564 4.698 4.120 0.023 0.000 0.291 335 V C -0.195 175.935 176.094 0.060 0.000 1.020 335 V CA -0.635 61.695 62.300 0.051 0.000 0.848 335 V CB 1.164 32.996 31.823 0.016 0.000 0.990 335 V HN 0.729 nan 8.190 nan 0.000 0.430 336 R N 4.119 124.651 120.500 0.053 0.000 2.710 336 R HA 0.763 5.117 4.340 0.023 0.000 0.270 336 R C -1.904 174.419 176.300 0.039 0.000 1.021 336 R CA -0.970 55.164 56.100 0.056 0.000 0.889 336 R CB 2.045 32.393 30.300 0.079 0.000 1.243 336 R HN 0.488 nan 8.270 nan 0.000 0.464 337 I N 1.050 121.643 120.570 0.038 0.000 2.354 337 I HA 0.339 4.523 4.170 0.023 0.000 0.292 337 I C -0.604 175.533 176.117 0.033 0.000 0.989 337 I CA -0.423 60.894 61.300 0.028 0.000 1.188 337 I CB 1.863 39.880 38.000 0.029 0.000 1.342 337 I HN 0.696 nan 8.210 nan 0.000 0.457 338 E N 5.659 125.875 120.200 0.026 0.000 2.263 338 E HA 0.252 4.616 4.350 0.023 0.000 0.268 338 E C -0.258 176.354 176.600 0.019 0.000 0.884 338 E CA -0.562 55.855 56.400 0.029 0.000 0.766 338 E CB 0.989 30.712 29.700 0.038 0.000 1.196 338 E HN 0.526 nan 8.360 nan 0.000 0.416 339 N N 3.440 122.151 118.700 0.019 0.000 2.721 339 N HA -0.246 4.508 4.740 0.023 0.000 0.249 339 N C 0.435 175.950 175.510 0.008 0.000 1.072 339 N CA 2.084 55.142 53.050 0.013 0.000 0.710 339 N CB -1.163 37.331 38.487 0.011 0.000 0.993 339 N HN 0.972 nan 8.380 nan 0.000 0.547 340 G N -2.372 106.433 108.800 0.008 0.000 2.176 340 G HA2 -0.267 3.707 3.960 0.023 0.000 0.253 340 G HA3 -0.267 3.707 3.960 0.023 0.000 0.253 340 G C -0.126 174.767 174.900 -0.011 0.000 0.979 340 G CA 0.438 45.538 45.100 0.001 0.000 0.641 340 G HN 0.483 nan 8.290 nan 0.000 0.530 341 L N 0.024 121.241 121.223 -0.010 0.000 2.362 341 L HA 0.719 5.073 4.340 0.023 0.000 0.271 341 L C 0.013 176.870 176.870 -0.022 0.000 1.002 341 L CA -1.329 53.496 54.840 -0.025 0.000 0.818 341 L CB 1.938 43.981 42.059 -0.026 0.000 1.298 341 L HN 0.073 nan 8.230 nan 0.000 0.420 342 L N 4.431 125.629 121.223 -0.043 0.000 2.283 342 L HA 0.438 4.792 4.340 0.023 0.000 0.287 342 L C -0.762 176.078 176.870 -0.049 0.000 1.073 342 L CA 0.369 55.183 54.840 -0.044 0.000 0.822 342 L CB 0.155 42.173 42.059 -0.070 0.000 1.186 342 L HN 0.386 nan 8.230 nan 0.000 0.436 343 L N 5.612 126.823 121.223 -0.020 0.000 2.331 343 L HA 0.575 4.929 4.340 0.023 0.000 0.275 343 L C -0.699 176.167 176.870 -0.006 0.000 1.022 343 L CA -0.849 53.984 54.840 -0.010 0.000 0.812 343 L CB 1.825 43.900 42.059 0.026 0.000 1.257 343 L HN 0.533 nan 8.230 nan 0.000 0.435 344 L N 3.016 124.245 121.223 0.010 0.000 2.356 344 L HA 0.493 4.847 4.340 0.023 0.000 0.277 344 L C -0.158 176.717 176.870 0.007 0.000 0.996 344 L CA -0.106 54.751 54.840 0.029 0.000 0.822 344 L CB 1.124 43.214 42.059 0.053 0.000 1.256 344 L HN 0.610 nan 8.230 nan 0.000 0.413 345 N N 3.988 122.550 118.700 -0.231 0.000 2.708 345 N HA -0.221 4.533 4.740 0.023 0.000 0.249 345 N C 0.903 176.014 175.510 -0.666 0.000 1.097 345 N CA 1.414 53.976 53.050 -0.814 0.000 0.710 345 N CB -1.232 36.757 38.487 -0.831 0.000 1.032 345 N HN 1.181 nan 8.380 nan 0.000 0.551 346 G N -2.024 106.688 108.800 -0.147 0.000 2.162 346 G HA2 -0.354 3.620 3.960 0.023 0.000 0.260 346 G HA3 -0.354 3.620 3.960 0.023 0.000 0.260 346 G C -0.097 174.825 174.900 0.038 0.000 0.976 346 G CA 0.930 46.071 45.100 0.068 0.000 0.655 346 G HN 0.432 nan 8.290 nan 0.000 0.533 347 K N 0.486 120.899 120.400 0.020 0.000 2.259 347 K HA 0.552 4.886 4.320 0.023 0.000 0.249 347 K C -2.907 173.657 176.600 -0.060 0.000 0.942 347 K CA -2.301 53.961 56.287 -0.041 0.000 0.816 347 K CB 2.460 34.860 32.500 -0.167 0.000 1.155 347 K HN 0.014 nan 8.250 nan 0.000 0.428 348 P HA 0.214 nan 4.420 nan 0.000 0.276 348 P C -0.091 177.137 177.300 -0.119 0.000 1.253 348 P CA -0.249 62.799 63.100 -0.086 0.000 0.766 348 P CB 0.435 32.088 31.700 -0.079 0.000 0.845 349 L N 3.205 124.351 121.223 -0.127 0.000 2.472 349 L HA 0.302 4.656 4.340 0.023 0.000 0.260 349 L C 0.625 177.403 176.870 -0.153 0.000 1.209 349 L CA -0.446 54.303 54.840 -0.151 0.000 0.817 349 L CB 0.141 42.065 42.059 -0.225 0.000 1.106 349 L HN 0.246 nan 8.230 nan 0.000 0.479 350 L N 2.759 123.906 121.223 -0.126 0.000 2.471 350 L HA 0.419 4.773 4.340 0.023 0.000 0.263 350 L C -0.665 176.148 176.870 -0.096 0.000 0.985 350 L CA -0.199 54.554 54.840 -0.146 0.000 0.868 350 L CB 0.906 42.913 42.059 -0.088 0.000 1.203 350 L HN 0.233 nan 8.230 nan 0.000 0.429 351 I N 4.662 125.106 120.570 -0.211 0.000 2.421 351 I HA 0.206 4.390 4.170 0.023 0.000 0.291 351 I C 0.589 176.658 176.117 -0.079 0.000 1.089 351 I CA 0.189 61.377 61.300 -0.186 0.000 1.354 351 I CB 0.459 38.210 38.000 -0.416 0.000 1.413 351 I HN 0.554 nan 8.210 nan 0.000 0.513 352 R N 4.776 125.316 120.500 0.067 0.000 3.070 352 R HA 0.433 4.787 4.340 0.023 0.000 0.252 352 R C 0.510 176.941 176.300 0.219 0.000 1.370 352 R CA -0.275 55.916 56.100 0.152 0.000 1.482 352 R CB 0.859 31.075 30.300 -0.139 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.122 109.010 108.800 0.147 0.000 2.509 353 G HA2 0.584 4.558 3.960 0.023 0.000 0.328 353 G HA3 0.584 4.558 3.960 0.023 0.000 0.328 353 G C -1.272 173.914 174.900 0.477 0.000 1.194 353 G CA -0.448 44.721 45.100 0.114 0.000 0.967 353 G HN 0.225 nan 8.290 nan 0.000 0.488 354 V N 0.056 120.220 119.914 0.416 0.000 3.012 354 V HA 0.472 4.606 4.120 0.023 0.000 0.307 354 V C -1.143 175.054 176.094 0.171 0.000 1.166 354 V CA -1.209 61.212 62.300 0.201 0.000 0.974 354 V CB 2.222 33.874 31.823 -0.285 0.000 1.040 354 V HN 0.764 nan 8.190 nan 0.000 0.428 355 N N 4.161 122.875 118.700 0.022 0.000 2.518 355 N HA 0.471 5.225 4.740 0.023 0.000 0.283 355 N C -0.761 174.500 175.510 -0.414 0.000 1.119 355 N CA -0.334 52.583 53.050 -0.223 0.000 0.983 355 N CB 1.495 39.745 38.487 -0.395 0.000 1.139 355 N HN 0.674 nan 8.380 nan 0.000 0.465 356 R N 2.174 122.398 120.500 -0.460 0.000 2.510 356 R HA 0.198 4.552 4.340 0.023 0.000 0.294 356 R C -1.038 174.969 176.300 -0.488 0.000 1.056 356 R CA -0.560 55.290 56.100 -0.416 0.000 0.918 356 R CB 0.672 30.746 30.300 -0.376 0.000 1.187 356 R HN 0.587 nan 8.270 nan 0.000 0.437 357 H N 2.174 121.062 119.070 -0.304 0.000 2.607 357 H HA 0.105 4.676 4.556 0.024 0.000 0.367 357 H C -0.461 174.844 175.328 -0.039 0.000 1.181 357 H CA 0.235 56.204 56.048 -0.132 0.000 1.402 357 H CB 1.311 31.060 29.762 -0.023 0.000 1.474 357 H HN 0.564 nan 8.280 nan 0.000 0.596 358 E N 1.816 122.188 120.200 0.287 0.000 1.963 358 E HA 0.104 4.468 4.350 0.023 0.000 0.274 358 E C -0.714 176.033 176.600 0.245 0.000 1.061 358 E CA -0.051 56.450 56.400 0.168 0.000 0.847 358 E CB 0.237 30.061 29.700 0.207 0.000 1.083 358 E HN 0.389 nan 8.360 nan 0.000 0.402 359 H N 1.707 120.830 119.070 0.089 0.000 2.856 359 H HA 0.253 4.823 4.556 0.023 0.000 0.355 359 H C -1.654 173.715 175.328 0.069 0.000 1.079 359 H CA -0.689 55.407 56.048 0.080 0.000 1.240 359 H CB 1.016 30.814 29.762 0.061 0.000 1.701 359 H HN 0.376 nan 8.280 nan 0.000 0.527 360 H N 6.414 125.105 119.070 -0.632 0.000 2.689 360 H HA 0.224 4.794 4.556 0.023 0.000 0.346 360 H C -2.280 172.671 175.328 -0.629 0.000 1.037 360 H CA -2.520 53.274 56.048 -0.423 0.000 1.234 360 H CB 2.510 32.166 29.762 -0.177 0.000 1.572 360 H HN 0.550 nan 8.280 nan 0.000 0.524 361 P HA -0.089 nan 4.420 nan 0.000 0.221 361 P C 1.148 178.372 177.300 -0.127 0.000 1.145 361 P CA 0.764 63.722 63.100 -0.238 0.000 0.795 361 P CB 0.847 32.444 31.700 -0.171 0.000 0.775 362 L N -2.529 118.760 121.223 0.110 0.000 2.547 362 L HA 0.175 4.529 4.340 0.023 0.000 0.218 362 L C 2.045 178.716 176.870 -0.331 0.000 1.048 362 L CA 0.531 55.254 54.840 -0.194 0.000 0.859 362 L CB -0.228 41.574 42.059 -0.429 0.000 1.128 362 L HN -0.070 nan 8.230 nan 0.000 0.483 363 H N -0.985 117.993 119.070 -0.152 0.000 2.539 363 H HA 0.304 4.874 4.556 0.023 0.000 0.269 363 H C 1.344 176.556 175.328 -0.193 0.000 0.980 363 H CA 0.241 56.139 56.048 -0.250 0.000 1.152 363 H CB 0.406 29.927 29.762 -0.400 0.000 1.407 363 H HN 0.386 nan 8.280 nan 0.000 0.564 364 G N 1.365 110.076 108.800 -0.149 0.000 2.536 364 G HA2 -0.369 3.605 3.960 0.023 0.000 0.277 364 G HA3 -0.369 3.605 3.960 0.023 0.000 0.277 364 G C 0.566 175.378 174.900 -0.146 0.000 1.155 364 G CA 0.226 45.189 45.100 -0.228 0.000 0.960 364 G HN 0.449 nan 8.290 nan 0.000 0.544 365 Q N -0.089 119.659 119.800 -0.087 0.000 2.188 365 Q HA 0.491 4.845 4.340 0.023 0.000 0.212 365 Q C 0.202 176.304 176.000 0.171 0.000 0.846 365 Q CA -0.155 55.653 55.803 0.008 0.000 0.989 365 Q CB 1.367 30.015 28.738 -0.151 0.000 1.114 365 Q HN 0.345 nan 8.270 nan 0.000 0.488 366 V N 2.022 122.007 119.914 0.118 0.000 2.461 366 V HA 0.217 4.351 4.120 0.023 0.000 0.275 366 V C 0.126 176.275 176.094 0.092 0.000 1.047 366 V CA 0.028 62.399 62.300 0.119 0.000 0.955 366 V CB 1.139 32.968 31.823 0.009 0.000 0.988 366 V HN 0.335 nan 8.190 nan 0.000 0.471 367 M N 5.357 125.013 119.600 0.093 0.000 2.472 367 M HA 0.519 5.013 4.480 0.023 0.000 0.331 367 M C -0.500 175.777 176.300 -0.037 0.000 1.170 367 M CA -0.477 54.843 55.300 0.034 0.000 1.009 367 M CB 1.824 34.414 32.600 -0.016 0.000 1.672 367 M HN 0.797 nan 8.290 nan 0.000 0.453 368 D N 0.277 120.664 120.400 -0.022 0.000 2.601 368 D HA 0.199 4.853 4.640 0.023 0.000 0.230 368 D C 0.126 176.415 176.300 -0.018 0.000 1.106 368 D CA -0.445 53.537 54.000 -0.029 0.000 0.873 368 D CB 1.934 42.746 40.800 0.020 0.000 1.515 368 D HN 0.750 nan 8.370 nan 0.000 0.468 369 E N 0.191 120.383 120.200 -0.014 0.000 2.118 369 E HA -0.308 4.056 4.350 0.023 0.000 0.195 369 E C 1.456 178.099 176.600 0.071 0.000 0.992 369 E CA 1.477 57.895 56.400 0.029 0.000 0.804 369 E CB 0.178 29.907 29.700 0.048 0.000 0.741 369 E HN 0.313 nan 8.360 nan 0.000 0.458 370 Q N 0.194 120.039 119.800 0.074 0.000 2.061 370 Q HA -0.135 4.219 4.340 0.023 0.000 0.204 370 Q C 2.139 178.199 176.000 0.100 0.000 0.984 370 Q CA 2.465 58.321 55.803 0.088 0.000 0.846 370 Q CB -0.701 28.091 28.738 0.090 0.000 0.902 370 Q HN 0.305 nan 8.270 nan 0.000 0.421 371 T N 0.138 114.761 114.554 0.116 0.000 2.746 371 T HA -0.125 4.239 4.350 0.023 0.000 0.267 371 T C 1.780 176.556 174.700 0.127 0.000 1.039 371 T CA 1.488 63.666 62.100 0.130 0.000 1.142 371 T CB -0.179 68.794 68.868 0.175 0.000 0.866 371 T HN 0.262 nan 8.240 nan 0.000 0.444 372 M N 0.474 120.152 119.600 0.131 0.000 2.117 372 M HA -0.088 4.406 4.480 0.023 0.000 0.262 372 M C 2.448 178.855 176.300 0.178 0.000 1.065 372 M CA 1.275 56.714 55.300 0.232 0.000 1.114 372 M CB -0.549 32.218 32.600 0.278 0.000 1.361 372 M HN 0.096 nan 8.290 nan 0.000 0.408 373 V N 0.219 120.182 119.914 0.082 0.000 2.343 373 V HA -0.295 3.839 4.120 0.023 0.000 0.247 373 V C 2.316 178.386 176.094 -0.041 0.000 1.051 373 V CA 2.058 64.335 62.300 -0.038 0.000 1.036 373 V CB -0.838 31.002 31.823 0.028 0.000 0.654 373 V HN 0.560 nan 8.190 nan 0.000 0.451 374 Q N -0.301 119.529 119.800 0.050 0.000 2.096 374 Q HA -0.274 4.080 4.340 0.023 0.000 0.204 374 Q C 1.926 177.992 176.000 0.109 0.000 0.982 374 Q CA 2.141 57.991 55.803 0.079 0.000 0.850 374 Q CB -0.123 28.678 28.738 0.106 0.000 0.901 374 Q HN 0.612 nan 8.270 nan 0.000 0.422 375 D N 0.274 120.752 120.400 0.130 0.000 2.117 375 D HA -0.122 4.532 4.640 0.023 0.000 0.198 375 D C 1.886 178.134 176.300 -0.088 0.000 0.982 375 D CA 1.053 55.132 54.000 0.130 0.000 0.828 375 D CB -0.134 40.730 40.800 0.108 0.000 0.967 375 D HN 0.358 nan 8.370 nan 0.000 0.464 376 I N 0.511 121.017 120.570 -0.105 0.000 2.252 376 I HA -0.215 3.969 4.170 0.023 0.000 0.245 376 I C 2.369 178.346 176.117 -0.232 0.000 1.102 376 I CA 0.600 61.738 61.300 -0.270 0.000 1.385 376 I CB -0.081 37.638 38.000 -0.468 0.000 1.064 376 I HN 0.002 nan 8.210 nan 0.000 0.414 377 L N 0.098 121.219 121.223 -0.171 0.000 2.027 377 L HA -0.216 4.138 4.340 0.023 0.000 0.206 377 L C 2.560 179.493 176.870 0.105 0.000 1.074 377 L CA 1.345 56.175 54.840 -0.016 0.000 0.745 377 L CB -0.533 41.539 42.059 0.023 0.000 0.898 377 L HN 0.271 nan 8.230 nan 0.000 0.433 378 L N -0.966 120.342 121.223 0.142 0.000 2.079 378 L HA -0.262 4.092 4.340 0.023 0.000 0.210 378 L C 2.681 179.714 176.870 0.272 0.000 1.081 378 L CA 1.341 56.351 54.840 0.283 0.000 0.752 378 L CB -0.304 42.040 42.059 0.475 0.000 0.896 378 L HN 0.295 nan 8.230 nan 0.000 0.433 379 M N -0.575 119.012 119.600 -0.022 0.000 2.065 379 M HA -0.265 4.229 4.480 0.023 0.000 0.259 379 M C 2.333 178.715 176.300 0.137 0.000 1.071 379 M CA 1.942 57.150 55.300 -0.153 0.000 1.109 379 M CB -0.317 31.994 32.600 -0.481 0.000 1.313 379 M HN 0.048 nan 8.290 nan 0.000 0.408 380 K N -0.182 120.211 120.400 -0.012 0.000 2.103 380 K HA -0.204 4.130 4.320 0.023 0.000 0.207 380 K C 1.954 178.563 176.600 0.016 0.000 1.048 380 K CA 1.406 57.602 56.287 -0.152 0.000 0.930 380 K CB -0.219 32.040 32.500 -0.402 0.000 0.716 380 K HN 0.482 nan 8.250 nan 0.000 0.444 381 Q N 0.222 120.201 119.800 0.298 0.000 2.291 381 Q HA -0.036 4.318 4.340 0.023 0.000 0.205 381 Q C 0.790 177.096 176.000 0.510 0.000 0.970 381 Q CA 0.703 56.787 55.803 0.469 0.000 0.876 381 Q CB 0.151 29.132 28.738 0.405 0.000 0.935 381 Q HN 0.278 nan 8.270 nan 0.000 0.455 382 N N 0.863 119.811 118.700 0.414 0.000 2.320 382 N HA 0.050 4.804 4.740 0.023 0.000 0.237 382 N C -0.648 174.974 175.510 0.187 0.000 1.129 382 N CA 0.025 53.313 53.050 0.397 0.000 0.854 382 N CB 0.621 39.411 38.487 0.506 0.000 1.083 382 N HN 0.167 nan 8.380 nan 0.000 0.504 383 N N 0.142 118.956 118.700 0.190 0.000 2.776 383 N HA -0.189 4.565 4.740 0.023 0.000 0.250 383 N C -0.864 174.565 175.510 -0.135 0.000 1.112 383 N CA 0.846 53.956 53.050 0.102 0.000 0.733 383 N CB -1.734 36.735 38.487 -0.029 0.000 1.097 383 N HN 0.267 nan 8.380 nan 0.000 0.558 384 F N 0.986 120.952 119.950 0.026 0.000 2.379 384 F HA 0.349 4.889 4.527 0.023 0.000 0.332 384 F C 1.709 177.500 175.800 -0.014 0.000 1.096 384 F CA -0.618 57.379 58.000 -0.005 0.000 1.105 384 F CB 0.938 39.906 39.000 -0.054 0.000 1.189 384 F HN 0.032 nan 8.300 nan 0.000 0.515 385 N N 0.550 119.366 118.700 0.193 0.000 2.160 385 N HA 0.440 5.194 4.740 0.023 0.000 0.226 385 N C -0.870 174.695 175.510 0.092 0.000 1.256 385 N CA -0.030 53.062 53.050 0.071 0.000 0.890 385 N CB 0.732 39.308 38.487 0.148 0.000 1.116 385 N HN 0.476 nan 8.380 nan 0.000 0.517 386 A N -0.538 122.403 122.820 0.203 0.000 2.606 386 A HA 0.779 5.113 4.320 0.023 0.000 0.293 386 A C -1.746 176.050 177.584 0.354 0.000 1.082 386 A CA -0.711 51.505 52.037 0.299 0.000 0.685 386 A CB 1.837 21.035 19.000 0.330 0.000 1.284 386 A HN 0.244 nan 8.150 nan 0.000 0.408 387 V N 0.801 120.977 119.914 0.437 0.000 2.888 387 V HA 0.797 4.931 4.120 0.023 0.000 0.309 387 V C -0.663 175.559 176.094 0.213 0.000 1.114 387 V CA -0.689 61.819 62.300 0.346 0.000 0.940 387 V CB 1.875 33.831 31.823 0.223 0.000 1.021 387 V HN 1.150 nan 8.190 nan 0.000 0.426 388 R N 4.956 125.409 120.500 -0.078 0.000 2.393 388 R HA 0.490 4.844 4.340 0.023 0.000 0.310 388 R C -0.718 175.425 176.300 -0.261 0.000 0.968 388 R CA -0.455 55.408 56.100 -0.396 0.000 0.867 388 R CB 1.181 31.008 30.300 -0.788 0.000 1.124 388 R HN 0.800 nan 8.270 nan 0.000 0.450 389 C N 4.469 123.653 119.300 -0.195 0.000 3.183 389 C HA 0.111 4.585 4.460 0.023 0.000 0.545 389 C C 0.520 175.228 174.990 -0.470 0.000 1.044 389 C CA -0.457 58.398 59.018 -0.272 0.000 1.117 389 C CB -2.146 25.546 27.740 -0.079 0.000 1.393 389 C HN 0.748 nan 8.230 nan 0.000 0.611 390 S N 1.496 116.793 115.700 -0.672 0.000 2.509 390 S HA 0.105 4.589 4.470 0.023 0.000 0.287 390 S C -0.159 173.594 174.600 -1.411 0.000 1.248 390 S CA 0.330 57.870 58.200 -1.100 0.000 1.089 390 S CB 0.048 62.538 63.200 -1.183 0.000 0.900 390 S HN 0.733 nan 8.310 nan 0.000 0.496 391 H N 3.859 122.400 119.070 -0.881 0.000 2.429 391 H HA 0.342 4.912 4.556 0.023 0.000 0.231 391 H C -1.114 174.138 175.328 -0.127 0.000 1.416 391 H CA -0.367 55.509 56.048 -0.287 0.000 1.443 391 H CB -0.038 29.744 29.762 0.033 0.000 1.591 391 H HN 0.900 nan 8.280 nan 0.000 0.507 392 Y N -2.360 118.059 120.300 0.199 0.000 2.841 392 Y HA 0.345 4.909 4.550 0.024 0.000 0.373 392 Y C -3.372 172.643 175.900 0.191 0.000 1.170 392 Y CA -2.846 55.374 58.100 0.200 0.000 1.196 392 Y CB -0.039 38.545 38.460 0.207 0.000 1.433 392 Y HN -0.023 nan 8.280 nan 0.000 0.479 393 P HA 0.159 nan 4.420 nan 0.000 0.268 393 P C -0.594 176.999 177.300 0.488 0.000 1.205 393 P CA 0.143 63.504 63.100 0.434 0.000 0.771 393 P CB 0.569 32.459 31.700 0.316 0.000 0.858 394 N N 0.635 119.633 118.700 0.497 0.000 2.458 394 N HA 0.074 4.828 4.740 0.023 0.000 0.271 394 N C 0.175 175.919 175.510 0.391 0.000 1.210 394 N CA -0.562 52.687 53.050 0.332 0.000 0.978 394 N CB 0.332 38.793 38.487 -0.043 0.000 1.206 394 N HN 0.604 nan 8.380 nan 0.000 0.536 395 H N 2.294 121.462 119.070 0.163 0.000 3.115 395 H HA -0.029 4.541 4.556 0.023 0.000 0.324 395 H C -1.593 173.904 175.328 0.282 0.000 1.007 395 H CA -0.596 55.537 56.048 0.142 0.000 1.385 395 H CB 0.946 30.757 29.762 0.082 0.000 1.351 395 H HN 0.445 nan 8.280 nan 0.000 0.592 396 P HA -0.200 nan 4.420 nan 0.000 0.218 396 P C 1.840 179.475 177.300 0.559 0.000 1.148 396 P CA 0.708 64.074 63.100 0.445 0.000 0.822 396 P CB 0.204 32.016 31.700 0.186 0.000 0.784 397 L N -0.913 120.736 121.223 0.711 0.000 2.191 397 L HA -0.051 4.303 4.340 0.023 0.000 0.212 397 L C 2.398 179.439 176.870 0.284 0.000 1.103 397 L CA 1.399 56.475 54.840 0.394 0.000 0.769 397 L CB -1.470 40.721 42.059 0.219 0.000 0.908 397 L HN 0.018 nan 8.230 nan 0.000 0.438 398 W N -0.419 120.911 121.300 0.050 0.000 2.321 398 W HA -0.350 4.324 4.660 0.022 0.000 0.306 398 W C 2.082 178.459 176.519 -0.236 0.000 1.217 398 W CA 2.058 59.301 57.345 -0.171 0.000 1.257 398 W CB -0.404 28.848 29.460 -0.346 0.000 1.145 398 W HN 0.280 nan 8.180 nan 0.000 0.509 399 Y N 0.703 120.942 120.300 -0.102 0.000 2.181 399 Y HA -0.221 4.343 4.550 0.023 0.000 0.288 399 Y C 2.874 178.538 175.900 -0.394 0.000 1.146 399 Y CA 2.207 60.033 58.100 -0.456 0.000 1.164 399 Y CB -1.260 36.628 38.460 -0.953 0.000 0.982 399 Y HN -0.221 nan 8.280 nan 0.000 0.515 400 T N 0.720 115.278 114.554 0.006 0.000 2.720 400 T HA -0.172 4.192 4.350 0.023 0.000 0.268 400 T C 1.978 176.711 174.700 0.056 0.000 1.037 400 T CA 1.469 63.649 62.100 0.132 0.000 1.144 400 T CB -0.548 68.457 68.868 0.229 0.000 0.864 400 T HN 0.232 nan 8.240 nan 0.000 0.444 401 L N 0.310 121.525 121.223 -0.013 0.000 2.056 401 L HA -0.097 4.257 4.340 0.023 0.000 0.207 401 L C 2.925 179.774 176.870 -0.035 0.000 1.078 401 L CA 0.926 55.782 54.840 0.026 0.000 0.749 401 L CB -0.778 41.277 42.059 -0.006 0.000 0.901 401 L HN 0.369 nan 8.230 nan 0.000 0.433 402 C N -0.075 119.034 119.300 -0.319 0.000 2.429 402 C HA -0.162 4.312 4.460 0.023 0.000 0.277 402 C C 2.443 177.467 174.990 0.057 0.000 1.262 402 C CA 0.535 59.393 59.018 -0.266 0.000 1.733 402 C CB -0.834 26.638 27.740 -0.446 0.000 2.010 402 C HN 0.545 nan 8.230 nan 0.000 0.483 403 D N 0.304 120.743 120.400 0.065 0.000 2.149 403 D HA -0.112 4.542 4.640 0.023 0.000 0.198 403 D C 2.375 178.882 176.300 0.346 0.000 0.990 403 D CA 1.257 55.378 54.000 0.203 0.000 0.839 403 D CB -0.341 40.538 40.800 0.131 0.000 0.948 403 D HN 0.557 nan 8.370 nan 0.000 0.460 404 R N -1.273 119.320 120.500 0.156 0.000 2.128 404 R HA 0.065 4.419 4.340 0.023 0.000 0.211 404 R C 1.987 178.243 176.300 -0.072 0.000 1.067 404 R CA 0.338 56.463 56.100 0.042 0.000 1.010 404 R CB -0.070 30.181 30.300 -0.081 0.000 0.922 404 R HN 0.253 nan 8.270 nan 0.000 0.457 405 Y N 0.091 120.398 120.300 0.011 0.000 2.448 405 Y HA 0.181 4.745 4.550 0.023 0.000 0.289 405 Y C 0.942 176.767 175.900 -0.125 0.000 1.114 405 Y CA 0.813 58.891 58.100 -0.037 0.000 1.235 405 Y CB 0.769 39.179 38.460 -0.083 0.000 1.045 405 Y HN 0.220 nan 8.280 nan 0.000 0.554 406 G N 1.172 110.004 108.800 0.053 0.000 2.780 406 G HA2 -0.134 3.840 3.960 0.023 0.000 0.364 406 G HA3 -0.134 3.840 3.960 0.023 0.000 0.364 406 G C -1.213 173.539 174.900 -0.247 0.000 1.045 406 G CA -0.570 44.441 45.100 -0.149 0.000 1.202 406 G HN 0.159 nan 8.290 nan 0.000 0.534 407 L N 1.033 122.184 121.223 -0.120 0.000 2.455 407 L HA 0.497 4.851 4.340 0.023 0.000 0.264 407 L C -0.121 176.753 176.870 0.006 0.000 0.968 407 L CA -1.281 53.447 54.840 -0.186 0.000 0.827 407 L CB 2.029 43.994 42.059 -0.156 0.000 1.317 407 L HN 0.458 nan 8.230 nan 0.000 0.407 408 Y N 1.797 122.223 120.300 0.210 0.000 2.335 408 Y HA 0.412 4.978 4.550 0.026 0.000 0.331 408 Y C 0.206 176.230 175.900 0.208 0.000 1.094 408 Y CA -0.673 57.585 58.100 0.263 0.000 1.253 408 Y CB 1.338 39.930 38.460 0.220 0.000 1.203 408 Y HN 0.164 nan 8.280 nan 0.000 0.508 409 V N 4.228 124.327 119.914 0.307 0.000 2.769 409 V HA 0.367 4.501 4.120 0.023 0.000 0.312 409 V C -0.598 175.580 176.094 0.139 0.000 1.061 409 V CA -1.037 61.389 62.300 0.210 0.000 0.931 409 V CB 2.086 33.994 31.823 0.141 0.000 1.010 409 V HN 0.435 nan 8.190 nan 0.000 0.433 410 V N 2.737 122.698 119.914 0.079 0.000 2.328 410 V HA 0.348 4.482 4.120 0.023 0.000 0.278 410 V C -0.455 175.676 176.094 0.061 0.000 1.021 410 V CA -0.383 61.916 62.300 -0.002 0.000 0.838 410 V CB 1.456 33.169 31.823 -0.183 0.000 0.999 410 V HN 0.885 nan 8.190 nan 0.000 0.447 411 D N 4.132 124.607 120.400 0.126 0.000 2.280 411 D HA 0.330 4.984 4.640 0.023 0.000 0.243 411 D C -0.285 176.220 176.300 0.342 0.000 1.129 411 D CA -0.106 54.072 54.000 0.298 0.000 0.848 411 D CB 1.348 42.368 40.800 0.367 0.000 1.107 411 D HN 0.678 nan 8.370 nan 0.000 0.471 412 E N 1.984 122.349 120.200 0.275 0.000 2.199 412 E HA 0.614 4.978 4.350 0.023 0.000 0.265 412 E C -0.974 175.777 176.600 0.252 0.000 0.882 412 E CA -1.033 55.514 56.400 0.245 0.000 0.759 412 E CB 1.323 31.118 29.700 0.158 0.000 1.148 412 E HN 0.474 nan 8.360 nan 0.000 0.412 413 A N 3.942 126.902 122.820 0.233 0.000 2.483 413 A HA 0.039 4.373 4.320 0.023 0.000 0.238 413 A C 0.328 178.047 177.584 0.225 0.000 1.070 413 A CA -0.179 51.973 52.037 0.191 0.000 0.770 413 A CB 0.121 19.197 19.000 0.127 0.000 1.008 413 A HN 0.710 nan 8.150 nan 0.000 0.497 414 N N 1.261 120.101 118.700 0.232 0.000 2.971 414 N HA 0.272 5.026 4.740 0.023 0.000 0.294 414 N C -1.034 174.610 175.510 0.224 0.000 1.210 414 N CA 0.237 53.457 53.050 0.284 0.000 1.157 414 N CB -0.838 37.813 38.487 0.273 0.000 1.450 414 N HN 0.470 nan 8.380 nan 0.000 0.527 415 I N 0.982 121.679 120.570 0.212 0.000 2.500 415 I HA 0.285 4.469 4.170 0.023 0.000 0.286 415 I C -0.621 175.600 176.117 0.174 0.000 1.063 415 I CA -0.633 60.772 61.300 0.175 0.000 1.062 415 I CB 1.828 39.904 38.000 0.127 0.000 1.223 415 I HN 0.261 nan 8.210 nan 0.000 0.435 416 E N 4.364 124.658 120.200 0.158 0.000 2.287 416 E HA 0.375 4.739 4.350 0.023 0.000 0.274 416 E C -0.744 175.916 176.600 0.100 0.000 0.896 416 E CA -0.492 55.971 56.400 0.104 0.000 0.788 416 E CB 1.641 31.378 29.700 0.063 0.000 1.244 416 E HN 0.603 nan 8.360 nan 0.000 0.408 417 T N 0.731 115.336 114.554 0.085 0.000 3.483 417 T HA 0.173 4.537 4.350 0.023 0.000 0.258 417 T C 0.813 175.556 174.700 0.071 0.000 1.013 417 T CA -0.368 61.808 62.100 0.127 0.000 1.078 417 T CB -0.252 68.683 68.868 0.112 0.000 1.111 417 T HN 0.667 nan 8.240 nan 0.000 0.538 418 H N 1.219 120.199 119.070 -0.151 0.000 2.390 418 H HA -0.064 4.507 4.556 0.024 0.000 0.298 418 H C 2.343 177.558 175.328 -0.190 0.000 1.106 418 H CA 1.457 57.397 56.048 -0.180 0.000 1.297 418 H CB -0.184 29.434 29.762 -0.240 0.000 1.375 418 H HN 0.598 nan 8.280 nan 0.000 0.509 419 G N 0.317 108.995 108.800 -0.202 0.000 2.509 419 G HA2 -0.102 3.872 3.960 0.023 0.000 0.218 419 G HA3 -0.102 3.872 3.960 0.023 0.000 0.218 419 G C 0.591 175.634 174.900 0.239 0.000 1.124 419 G CA -0.004 45.009 45.100 -0.145 0.000 0.776 419 G HN 0.151 nan 8.290 nan 0.000 0.547 420 M N 0.165 119.954 119.600 0.314 0.000 2.207 420 M HA 0.328 4.822 4.480 0.023 0.000 0.311 420 M C -0.293 176.052 176.300 0.075 0.000 1.127 420 M CA -0.262 55.147 55.300 0.183 0.000 1.181 420 M CB 1.222 33.879 32.600 0.095 0.000 1.409 420 M HN -0.189 nan 8.290 nan 0.000 0.461 421 V N 3.314 123.247 119.914 0.032 0.000 2.524 421 V HA 0.371 4.505 4.120 0.023 0.000 0.297 421 V C -2.013 174.077 176.094 -0.007 0.000 1.035 421 V CA -1.274 61.030 62.300 0.007 0.000 0.867 421 V CB 1.941 33.764 31.823 -0.001 0.000 1.004 421 V HN 0.740 nan 8.190 nan 0.000 0.426 422 P HA 0.279 nan 4.420 nan 0.000 0.277 422 P C 1.031 178.335 177.300 0.007 0.000 1.276 422 P CA -0.525 62.573 63.100 -0.003 0.000 0.788 422 P CB 0.963 32.661 31.700 -0.003 0.000 1.114 423 M N 0.387 119.994 119.600 0.012 0.000 2.202 423 M HA -0.172 4.322 4.480 0.023 0.000 0.262 423 M C 1.096 177.417 176.300 0.034 0.000 1.063 423 M CA 1.813 57.127 55.300 0.024 0.000 1.097 423 M CB -0.476 32.124 32.600 -0.001 0.000 1.382 423 M HN 0.369 nan 8.290 nan 0.000 0.413 424 N N -0.194 118.528 118.700 0.036 0.000 2.295 424 N HA -0.050 4.704 4.740 0.023 0.000 0.221 424 N C 1.055 176.551 175.510 -0.023 0.000 1.129 424 N CA 0.079 53.154 53.050 0.041 0.000 0.836 424 N CB -0.702 37.825 38.487 0.066 0.000 1.040 424 N HN 0.346 nan 8.380 nan 0.000 0.494 425 R N 0.399 120.870 120.500 -0.047 0.000 2.103 425 R HA -0.030 4.324 4.340 0.023 0.000 0.242 425 R C 1.321 177.525 176.300 -0.160 0.000 1.142 425 R CA 1.415 57.464 56.100 -0.086 0.000 0.960 425 R CB -0.034 30.215 30.300 -0.085 0.000 0.858 425 R HN 0.309 nan 8.270 nan 0.000 0.439 426 L N -0.716 120.353 121.223 -0.257 0.000 2.202 426 L HA 0.005 4.359 4.340 0.023 0.000 0.205 426 L C 2.492 179.227 176.870 -0.225 0.000 1.083 426 L CA 1.261 55.826 54.840 -0.458 0.000 0.790 426 L CB -0.541 40.988 42.059 -0.883 0.000 0.942 426 L HN 0.338 nan 8.230 nan 0.000 0.452 427 T N -4.262 110.200 114.554 -0.154 0.000 3.035 427 T HA -0.156 4.208 4.350 0.023 0.000 0.268 427 T C 1.300 175.923 174.700 -0.129 0.000 1.109 427 T CA 1.164 63.165 62.100 -0.165 0.000 1.119 427 T CB -0.217 68.533 68.868 -0.196 0.000 0.900 427 T HN 0.104 nan 8.240 nan 0.000 0.503 428 D N 1.137 121.492 120.400 -0.076 0.000 2.339 428 D HA 0.099 4.753 4.640 0.023 0.000 0.217 428 D C -0.163 176.119 176.300 -0.031 0.000 1.050 428 D CA -0.130 53.833 54.000 -0.061 0.000 0.856 428 D CB -0.095 40.675 40.800 -0.050 0.000 0.922 428 D HN 0.330 nan 8.370 nan 0.000 0.518 429 D N -0.291 120.107 120.400 -0.004 0.000 2.274 429 D HA 0.121 4.775 4.640 0.023 0.000 0.239 429 D C -1.693 174.656 176.300 0.083 0.000 1.104 429 D CA -2.173 51.859 54.000 0.054 0.000 0.840 429 D CB 2.068 42.940 40.800 0.120 0.000 1.100 429 D HN -0.034 nan 8.370 nan 0.000 0.477 430 P HA -0.066 nan 4.420 nan 0.000 0.223 430 P C 0.919 178.221 177.300 0.004 0.000 1.151 430 P CA 0.660 63.770 63.100 0.017 0.000 0.787 430 P CB 0.333 32.032 31.700 -0.003 0.000 0.788 431 R N -1.643 118.866 120.500 0.015 0.000 2.189 431 R HA -0.057 4.297 4.340 0.023 0.000 0.223 431 R C 1.554 177.726 176.300 -0.213 0.000 1.092 431 R CA 1.075 57.116 56.100 -0.098 0.000 0.989 431 R CB -0.585 29.640 30.300 -0.125 0.000 0.876 431 R HN 0.314 nan 8.270 nan 0.000 0.457 432 W N 0.173 121.421 121.300 -0.087 0.000 3.278 432 W HA 0.129 4.802 4.660 0.022 0.000 0.308 432 W C 1.574 178.036 176.519 -0.095 0.000 1.253 432 W CA -0.468 56.824 57.345 -0.087 0.000 1.759 432 W CB 0.036 29.442 29.460 -0.089 0.000 1.093 432 W HN 0.011 nan 8.180 nan 0.000 0.648 433 L N 2.333 123.584 121.223 0.046 0.000 2.012 433 L HA -0.085 4.269 4.340 0.023 0.000 0.210 433 L C -0.636 176.200 176.870 -0.057 0.000 1.073 433 L CA 2.298 57.127 54.840 -0.018 0.000 0.748 433 L CB -1.709 40.330 42.059 -0.034 0.000 0.891 433 L HN -0.234 nan 8.230 nan 0.000 0.431 434 P HA -0.152 nan 4.420 nan 0.000 0.215 434 P C 1.607 178.852 177.300 -0.092 0.000 1.157 434 P CA 2.236 65.273 63.100 -0.103 0.000 0.868 434 P CB -0.289 31.341 31.700 -0.116 0.000 0.788 435 A N -0.903 121.875 122.820 -0.071 0.000 1.902 435 A HA -0.185 4.149 4.320 0.023 0.000 0.217 435 A C 2.308 179.906 177.584 0.024 0.000 1.181 435 A CA 2.025 54.052 52.037 -0.016 0.000 0.623 435 A CB -1.500 17.511 19.000 0.019 0.000 0.818 435 A HN 0.104 nan 8.150 nan 0.000 0.443 436 M N 0.218 119.843 119.600 0.041 0.000 2.132 436 M HA -0.146 4.348 4.480 0.023 0.000 0.263 436 M C 2.562 178.813 176.300 -0.082 0.000 1.065 436 M CA 1.714 57.016 55.300 0.003 0.000 1.122 436 M CB -0.342 32.238 32.600 -0.033 0.000 1.365 436 M HN 0.673 nan 8.290 nan 0.000 0.411 437 S N 0.380 116.001 115.700 -0.132 0.000 2.370 437 S HA -0.202 4.282 4.470 0.023 0.000 0.226 437 S C 1.588 176.018 174.600 -0.283 0.000 1.033 437 S CA 1.567 59.620 58.200 -0.246 0.000 1.011 437 S CB -0.701 62.325 63.200 -0.289 0.000 0.852 437 S HN 0.529 nan 8.310 nan 0.000 0.457 438 E N 1.094 121.177 120.200 -0.195 0.000 2.153 438 E HA -0.113 4.251 4.350 0.023 0.000 0.194 438 E C 2.426 178.940 176.600 -0.144 0.000 0.988 438 E CA 1.004 57.297 56.400 -0.179 0.000 0.811 438 E CB -0.160 29.473 29.700 -0.113 0.000 0.746 438 E HN 0.587 nan 8.360 nan 0.000 0.466 439 R N 0.109 120.554 120.500 -0.090 0.000 2.115 439 R HA -0.071 4.283 4.340 0.023 0.000 0.230 439 R C 2.300 178.565 176.300 -0.059 0.000 1.111 439 R CA 0.770 56.850 56.100 -0.034 0.000 0.976 439 R CB 0.009 30.331 30.300 0.036 0.000 0.870 439 R HN 0.020 nan 8.270 nan 0.000 0.445 440 V N 0.217 120.054 119.914 -0.128 0.000 2.331 440 V HA -0.186 3.948 4.120 0.023 0.000 0.242 440 V C 2.518 178.442 176.094 -0.283 0.000 1.034 440 V CA 2.124 64.331 62.300 -0.155 0.000 1.027 440 V CB -0.412 31.312 31.823 -0.165 0.000 0.667 440 V HN 0.521 nan 8.190 nan 0.000 0.457 441 T N -0.468 113.781 114.554 -0.509 0.000 2.720 441 T HA -0.272 4.092 4.350 0.023 0.000 0.268 441 T C 1.920 176.449 174.700 -0.285 0.000 1.037 441 T CA 1.591 63.281 62.100 -0.683 0.000 1.144 441 T CB -0.460 67.782 68.868 -1.044 0.000 0.864 441 T HN 0.406 nan 8.240 nan 0.000 0.444 442 R N 0.164 120.528 120.500 -0.227 0.000 2.189 442 R HA 0.227 4.581 4.340 0.023 0.000 0.223 442 R C 2.591 178.813 176.300 -0.130 0.000 1.092 442 R CA 1.203 57.208 56.100 -0.158 0.000 0.989 442 R CB -0.432 29.782 30.300 -0.142 0.000 0.876 442 R HN 0.497 nan 8.270 nan 0.000 0.457 443 M N 0.397 119.928 119.600 -0.115 0.000 2.123 443 M HA -0.128 4.366 4.480 0.023 0.000 0.263 443 M C 1.844 178.072 176.300 -0.120 0.000 1.069 443 M CA 1.567 56.831 55.300 -0.060 0.000 1.133 443 M CB 0.146 32.746 32.600 0.001 0.000 1.356 443 M HN -0.024 nan 8.290 nan 0.000 0.415 444 V N 0.959 120.697 119.914 -0.293 0.000 2.343 444 V HA -0.290 3.844 4.120 0.023 0.000 0.247 444 V C 2.259 178.243 176.094 -0.182 0.000 1.051 444 V CA 1.970 63.962 62.300 -0.512 0.000 1.036 444 V CB -0.886 30.606 31.823 -0.551 0.000 0.654 444 V HN 0.583 nan 8.190 nan 0.000 0.451 445 Q N -0.726 119.008 119.800 -0.110 0.000 2.226 445 Q HA -0.228 4.126 4.340 0.023 0.000 0.204 445 Q C 2.460 178.384 176.000 -0.127 0.000 0.975 445 Q CA 1.530 57.282 55.803 -0.085 0.000 0.866 445 Q CB -0.153 28.548 28.738 -0.061 0.000 0.915 445 Q HN 0.531 nan 8.270 nan 0.000 0.440 446 R N 0.244 120.660 120.500 -0.140 0.000 2.080 446 R HA -0.077 4.277 4.340 0.023 0.000 0.222 446 R C 0.488 176.720 176.300 -0.113 0.000 1.107 446 R CA 1.220 57.216 56.100 -0.173 0.000 0.980 446 R CB 0.445 30.642 30.300 -0.171 0.000 0.879 446 R HN 0.126 nan 8.270 nan 0.000 0.439 447 D N -0.070 120.321 120.400 -0.015 0.000 2.398 447 D HA -0.000 4.654 4.640 0.023 0.000 0.210 447 D C 1.327 177.738 176.300 0.185 0.000 1.094 447 D CA 0.074 54.113 54.000 0.064 0.000 0.839 447 D CB 0.271 41.057 40.800 -0.023 0.000 0.963 447 D HN 0.350 nan 8.370 nan 0.000 0.506 448 R N 0.612 121.225 120.500 0.189 0.000 2.193 448 R HA -0.023 4.331 4.340 0.023 0.000 0.229 448 R C 0.722 177.038 176.300 0.026 0.000 1.110 448 R CA 0.894 57.126 56.100 0.220 0.000 0.988 448 R CB -0.293 30.066 30.300 0.099 0.000 0.871 448 R HN -0.066 nan 8.270 nan 0.000 0.458 449 N N 0.364 119.003 118.700 -0.101 0.000 2.398 449 N HA -0.005 4.749 4.740 0.023 0.000 0.188 449 N C -0.481 174.915 175.510 -0.189 0.000 1.122 449 N CA 0.296 53.255 53.050 -0.151 0.000 0.866 449 N CB 0.069 38.442 38.487 -0.189 0.000 0.970 449 N HN 0.292 nan 8.380 nan 0.000 0.462 450 H N 1.503 120.520 119.070 -0.089 0.000 2.800 450 H HA 0.100 4.670 4.556 0.023 0.000 0.291 450 H C -1.164 174.013 175.328 -0.251 0.000 1.076 450 H CA -1.350 54.622 56.048 -0.126 0.000 1.452 450 H CB 1.431 31.153 29.762 -0.067 0.000 1.461 450 H HN 0.080 nan 8.280 nan 0.000 0.488 451 P HA -0.162 nan 4.420 nan 0.000 0.219 451 P C 1.379 178.183 177.300 -0.827 0.000 1.146 451 P CA 1.116 63.853 63.100 -0.605 0.000 0.808 451 P CB 0.295 31.397 31.700 -0.998 0.000 0.779 452 S N -0.915 114.400 115.700 -0.641 0.000 2.442 452 S HA -0.035 4.449 4.470 0.023 0.000 0.236 452 S C 1.109 175.682 174.600 -0.046 0.000 1.007 452 S CA 0.278 58.302 58.200 -0.293 0.000 0.965 452 S CB -1.393 61.787 63.200 -0.033 0.000 0.773 452 S HN -0.048 nan 8.310 nan 0.000 0.504 453 V N 3.628 123.481 119.914 -0.101 0.000 2.405 453 V HA 0.245 4.379 4.120 0.023 0.000 0.264 453 V C 1.122 177.081 176.094 -0.225 0.000 1.048 453 V CA -0.103 62.110 62.300 -0.144 0.000 0.966 453 V CB 0.445 32.091 31.823 -0.294 0.000 1.015 453 V HN 0.631 nan 8.190 nan 0.000 0.477 454 I N 2.992 123.487 120.570 -0.125 0.000 4.035 454 I HA 0.490 4.674 4.170 0.023 0.000 0.321 454 I C 0.414 176.414 176.117 -0.195 0.000 1.289 454 I CA 0.620 61.853 61.300 -0.112 0.000 1.236 454 I CB 0.486 38.503 38.000 0.028 0.000 1.076 454 I HN 0.320 nan 8.210 nan 0.000 0.418 455 I N -0.068 120.361 120.570 -0.234 0.000 2.722 455 I HA 0.353 4.537 4.170 0.023 0.000 0.295 455 I C -1.525 174.466 176.117 -0.210 0.000 1.161 455 I CA -0.463 60.734 61.300 -0.173 0.000 1.032 455 I CB 2.138 40.136 38.000 -0.004 0.000 1.244 455 I HN 0.022 nan 8.210 nan 0.000 0.421 456 W N 3.547 124.898 121.300 0.084 0.000 2.438 456 W HA 0.612 5.284 4.660 0.020 0.000 0.324 456 W C 0.397 176.985 176.519 0.116 0.000 1.119 456 W CA -0.563 56.839 57.345 0.096 0.000 1.221 456 W CB 1.628 31.139 29.460 0.084 0.000 1.253 456 W HN 0.306 nan 8.180 nan 0.000 0.555 457 S N 2.712 118.656 115.700 0.406 0.000 2.521 457 S HA 0.387 4.871 4.470 0.023 0.000 0.295 457 S C 0.145 174.925 174.600 0.301 0.000 1.098 457 S CA -0.712 57.673 58.200 0.307 0.000 0.999 457 S CB 0.811 64.144 63.200 0.222 0.000 1.034 457 S HN 0.573 nan 8.310 nan 0.000 0.483 458 L N 4.250 125.653 121.223 0.300 0.000 2.610 458 L HA 0.340 4.694 4.340 0.023 0.000 0.232 458 L C 1.446 178.402 176.870 0.144 0.000 1.149 458 L CA 0.573 55.511 54.840 0.164 0.000 0.872 458 L CB -1.115 40.937 42.059 -0.011 0.000 0.992 458 L HN 1.015 nan 8.230 nan 0.000 0.447 459 G N -0.005 108.962 108.800 0.278 0.000 2.295 459 G HA2 -0.150 3.824 3.960 0.023 0.000 0.195 459 G HA3 -0.150 3.824 3.960 0.023 0.000 0.195 459 G C -1.502 173.606 174.900 0.346 0.000 1.269 459 G CA -0.447 44.819 45.100 0.276 0.000 1.170 459 G HN 0.202 nan 8.290 nan 0.000 0.511 460 N N 0.159 119.010 118.700 0.251 0.000 2.405 460 N HA 0.463 5.217 4.740 0.023 0.000 0.274 460 N C -0.606 174.886 175.510 -0.030 0.000 1.170 460 N CA 0.125 53.197 53.050 0.037 0.000 0.848 460 N CB 1.601 39.850 38.487 -0.397 0.000 1.629 460 N HN 0.894 nan 8.380 nan 0.000 0.481 461 E N 0.661 120.757 120.200 -0.174 0.000 2.202 461 E HA -0.177 4.187 4.350 0.023 0.000 0.169 461 E C -0.821 175.709 176.600 -0.117 0.000 1.536 461 E CA 0.802 57.011 56.400 -0.318 0.000 0.664 461 E CB -1.200 28.088 29.700 -0.686 0.000 1.064 461 E HN 0.444 nan 8.360 nan 0.000 0.327 462 S N 0.078 115.840 115.700 0.103 0.000 2.952 462 S HA 0.393 4.877 4.470 0.023 0.000 0.251 462 S C 0.623 175.380 174.600 0.261 0.000 1.021 462 S CA -0.153 58.166 58.200 0.198 0.000 1.067 462 S CB 1.433 64.810 63.200 0.295 0.000 1.002 462 S HN 0.869 nan 8.310 nan 0.000 0.574 463 G N 2.026 110.913 108.800 0.144 0.000 2.601 463 G HA2 -0.260 3.714 3.960 0.023 0.000 0.261 463 G HA3 -0.260 3.714 3.960 0.023 0.000 0.261 463 G C -0.521 174.558 174.900 0.300 0.000 1.289 463 G CA -0.065 45.122 45.100 0.145 0.000 0.920 463 G HN 0.657 nan 8.290 nan 0.000 0.571 464 H N 0.371 119.547 119.070 0.177 0.000 2.823 464 H HA 0.577 5.147 4.556 0.023 0.000 0.332 464 H C 0.290 175.780 175.328 0.271 0.000 0.980 464 H CA -0.060 56.132 56.048 0.240 0.000 1.286 464 H CB 0.768 30.614 29.762 0.140 0.000 1.541 464 H HN 1.109 nan 8.280 nan 0.000 0.521 465 G N 1.436 110.332 108.800 0.160 0.000 2.685 465 G HA2 0.459 4.433 3.960 0.023 0.000 0.298 465 G HA3 0.459 4.433 3.960 0.023 0.000 0.298 465 G C 0.567 175.332 174.900 -0.224 0.000 1.277 465 G CA -0.174 44.845 45.100 -0.134 0.000 0.986 465 G HN 0.667 nan 8.290 nan 0.000 0.487 466 A N 0.132 122.853 122.820 -0.166 0.000 2.024 466 A HA -0.091 4.243 4.320 0.023 0.000 0.220 466 A C 2.121 179.678 177.584 -0.045 0.000 1.164 466 A CA 1.904 53.888 52.037 -0.088 0.000 0.643 466 A CB -0.451 18.519 19.000 -0.049 0.000 0.806 466 A HN 0.526 nan 8.150 nan 0.000 0.451 467 N N -0.235 118.401 118.700 -0.106 0.000 2.223 467 N HA -0.147 4.607 4.740 0.023 0.000 0.185 467 N C 1.375 176.811 175.510 -0.124 0.000 1.016 467 N CA 1.700 54.673 53.050 -0.128 0.000 0.863 467 N CB -0.682 37.684 38.487 -0.201 0.000 0.983 467 N HN 0.781 nan 8.380 nan 0.000 0.429 468 H N 0.434 119.494 119.070 -0.018 0.000 2.321 468 H HA -0.041 4.529 4.556 0.022 0.000 0.300 468 H C 1.324 176.728 175.328 0.127 0.000 1.087 468 H CA 1.419 57.469 56.048 0.003 0.000 1.319 468 H CB 0.110 29.890 29.762 0.030 0.000 1.379 468 H HN 0.188 nan 8.280 nan 0.000 0.501 469 D N 0.286 120.853 120.400 0.279 0.000 2.117 469 D HA -0.129 4.525 4.640 0.023 0.000 0.197 469 D C 2.325 178.782 176.300 0.261 0.000 0.987 469 D CA 1.182 55.340 54.000 0.265 0.000 0.829 469 D CB -0.431 40.493 40.800 0.206 0.000 0.961 469 D HN 0.425 nan 8.370 nan 0.000 0.460 470 A N 0.894 123.815 122.820 0.168 0.000 1.883 470 A HA -0.139 4.195 4.320 0.023 0.000 0.217 470 A C 2.425 180.120 177.584 0.186 0.000 1.186 470 A CA 1.068 53.193 52.037 0.147 0.000 0.624 470 A CB -0.840 18.203 19.000 0.071 0.000 0.822 470 A HN 0.209 nan 8.150 nan 0.000 0.444 471 L N -2.130 119.185 121.223 0.153 0.000 2.156 471 L HA -0.136 4.218 4.340 0.023 0.000 0.208 471 L C 2.544 179.564 176.870 0.249 0.000 1.095 471 L CA 1.401 56.337 54.840 0.161 0.000 0.770 471 L CB -0.642 41.438 42.059 0.034 0.000 0.914 471 L HN 0.615 nan 8.230 nan 0.000 0.439 472 Y N 1.219 121.608 120.300 0.149 0.000 2.128 472 Y HA -0.325 4.234 4.550 0.016 0.000 0.284 472 Y C 2.817 178.801 175.900 0.141 0.000 1.154 472 Y CA 1.751 59.942 58.100 0.151 0.000 1.149 472 Y CB -0.111 38.439 38.460 0.151 0.000 0.976 472 Y HN -0.039 nan 8.280 nan 0.000 0.505 473 R N -0.103 120.529 120.500 0.220 0.000 2.115 473 R HA -0.182 4.172 4.340 0.023 0.000 0.230 473 R C 2.002 178.314 176.300 0.020 0.000 1.111 473 R CA 1.765 57.905 56.100 0.067 0.000 0.976 473 R CB -1.463 28.953 30.300 0.194 0.000 0.870 473 R HN 0.655 nan 8.270 nan 0.000 0.445 474 W N 0.562 121.828 121.300 -0.057 0.000 2.335 474 W HA -0.174 4.501 4.660 0.025 0.000 0.311 474 W C 1.591 178.023 176.519 -0.145 0.000 1.213 474 W CA 2.097 59.391 57.345 -0.085 0.000 1.274 474 W CB -0.291 29.120 29.460 -0.080 0.000 1.148 474 W HN 0.085 nan 8.180 nan 0.000 0.498 475 I N 0.871 121.427 120.570 -0.024 0.000 2.179 475 I HA -0.358 3.826 4.170 0.023 0.000 0.242 475 I C 2.449 178.349 176.117 -0.362 0.000 1.088 475 I CA 1.463 62.585 61.300 -0.297 0.000 1.357 475 I CB -0.753 37.149 38.000 -0.164 0.000 1.051 475 I HN -0.114 nan 8.210 nan 0.000 0.409 476 K N 0.466 120.674 120.400 -0.320 0.000 2.147 476 K HA -0.155 4.179 4.320 0.023 0.000 0.205 476 K C 2.285 178.742 176.600 -0.240 0.000 1.049 476 K CA 1.664 57.788 56.287 -0.271 0.000 0.936 476 K CB -0.487 31.815 32.500 -0.329 0.000 0.722 476 K HN 0.368 nan 8.250 nan 0.000 0.446 477 S N 1.120 116.640 115.700 -0.299 0.000 2.377 477 S HA -0.087 4.397 4.470 0.023 0.000 0.223 477 S C 2.112 176.486 174.600 -0.376 0.000 1.030 477 S CA 1.141 59.169 58.200 -0.287 0.000 0.970 477 S CB -0.226 62.843 63.200 -0.217 0.000 0.830 477 S HN 0.147 nan 8.310 nan 0.000 0.473 478 V N -0.885 118.654 119.914 -0.625 0.000 2.788 478 V HA 0.277 4.411 4.120 0.023 0.000 0.251 478 V C 0.356 176.212 176.094 -0.396 0.000 1.068 478 V CA 1.433 63.367 62.300 -0.609 0.000 1.090 478 V CB -0.508 30.717 31.823 -0.997 0.000 0.710 478 V HN 0.468 nan 8.190 nan 0.000 0.467 479 D N 0.585 120.799 120.400 -0.311 0.000 2.364 479 D HA 0.381 5.035 4.640 0.023 0.000 0.251 479 D C -2.144 174.134 176.300 -0.038 0.000 1.282 479 D CA -1.859 52.066 54.000 -0.124 0.000 0.927 479 D CB 1.701 42.507 40.800 0.011 0.000 1.267 479 D HN 0.178 nan 8.370 nan 0.000 0.531 480 P HA -0.061 nan 4.420 nan 0.000 0.234 480 P C 1.155 178.468 177.300 0.022 0.000 1.167 480 P CA 0.507 63.594 63.100 -0.021 0.000 0.763 480 P CB 0.096 31.782 31.700 -0.024 0.000 0.835 481 S N -1.355 114.367 115.700 0.037 0.000 2.515 481 S HA 0.030 4.514 4.470 0.023 0.000 0.231 481 S C 0.908 175.529 174.600 0.036 0.000 0.987 481 S CA -0.018 58.209 58.200 0.045 0.000 0.936 481 S CB -0.390 62.832 63.200 0.037 0.000 0.766 481 S HN 0.097 nan 8.310 nan 0.000 0.528 482 R N 0.977 121.509 120.500 0.054 0.000 2.673 482 R HA 0.559 4.913 4.340 0.023 0.000 0.281 482 R C -3.216 173.120 176.300 0.059 0.000 0.991 482 R CA -2.277 53.814 56.100 -0.015 0.000 0.896 482 R CB 1.455 31.617 30.300 -0.229 0.000 1.201 482 R HN 0.132 nan 8.270 nan 0.000 0.457 483 P HA 0.112 nan 4.420 nan 0.000 0.272 483 P C -0.821 176.574 177.300 0.158 0.000 1.240 483 P CA -0.428 62.726 63.100 0.090 0.000 0.791 483 P CB 0.656 32.397 31.700 0.067 0.000 0.978 484 V N 1.635 121.671 119.914 0.203 0.000 2.495 484 V HA 0.443 4.577 4.120 0.023 0.000 0.298 484 V C 0.158 176.439 176.094 0.310 0.000 1.031 484 V CA -0.308 62.165 62.300 0.288 0.000 0.871 484 V CB 1.161 33.123 31.823 0.233 0.000 0.988 484 V HN 0.621 nan 8.190 nan 0.000 0.432 485 Q N 3.697 123.664 119.800 0.278 0.000 2.484 485 Q HA 0.806 5.160 4.340 0.023 0.000 0.285 485 Q C -1.907 174.262 176.000 0.282 0.000 1.097 485 Q CA -0.923 55.011 55.803 0.219 0.000 0.802 485 Q CB 2.995 31.807 28.738 0.123 0.000 1.444 485 Q HN 0.649 nan 8.270 nan 0.000 0.429 486 Y N 0.166 120.484 120.300 0.030 0.000 2.357 486 Y HA 0.146 4.709 4.550 0.021 0.000 0.319 486 Y C -0.553 175.294 175.900 -0.089 0.000 1.225 486 Y CA -0.712 57.374 58.100 -0.024 0.000 1.095 486 Y CB 1.997 40.438 38.460 -0.030 0.000 1.302 486 Y HN 0.961 nan 8.280 nan 0.000 0.429 487 E N 3.378 123.083 120.200 -0.826 0.000 2.230 487 E HA 0.116 4.480 4.350 0.023 0.000 0.192 487 E C 0.697 176.863 176.600 -0.722 0.000 0.987 487 E CA 0.738 56.766 56.400 -0.621 0.000 0.841 487 E CB 0.244 29.709 29.700 -0.391 0.000 0.783 487 E HN 0.888 nan 8.360 nan 0.000 0.481 488 G N -0.296 107.711 108.800 -1.321 0.000 2.484 488 G HA2 0.237 4.211 3.960 0.023 0.000 0.235 488 G HA3 0.237 4.211 3.960 0.023 0.000 0.235 488 G C 0.791 175.540 174.900 -0.251 0.000 1.282 488 G CA 0.278 44.992 45.100 -0.642 0.000 0.857 488 G HN 0.329 nan 8.290 nan 0.000 0.571 489 G N -0.551 108.209 108.800 -0.067 0.000 2.143 489 G HA2 0.232 4.206 3.960 0.023 0.000 0.248 489 G HA3 0.232 4.206 3.960 0.023 0.000 0.248 489 G C 1.257 176.167 174.900 0.016 0.000 0.991 489 G CA 0.956 46.083 45.100 0.045 0.000 0.689 489 G HN 2.629 nan 8.290 nan 0.000 0.522 490 G N -1.382 107.415 108.800 -0.004 0.000 2.192 490 G HA2 0.443 4.417 3.960 0.023 0.000 0.193 490 G HA3 0.443 4.417 3.960 0.023 0.000 0.193 490 G C 1.044 176.064 174.900 0.201 0.000 0.999 490 G CA 1.292 46.455 45.100 0.106 0.000 0.659 490 G HN 2.347 nan 8.290 nan 0.000 0.503 491 A N -0.251 122.567 122.820 -0.002 0.000 3.396 491 A HA -0.123 4.211 4.320 0.023 0.000 0.267 491 A C 1.083 178.591 177.584 -0.127 0.000 1.139 491 A CA 2.599 54.566 52.037 -0.116 0.000 1.115 491 A CB -1.759 17.140 19.000 -0.168 0.000 1.133 491 A HN 2.116 nan 8.150 nan 0.000 0.920 492 D N -0.771 119.642 120.400 0.023 0.000 2.760 492 D HA 0.318 4.972 4.640 0.023 0.000 0.314 492 D C 0.373 176.672 176.300 -0.002 0.000 1.464 492 D CA 0.813 54.830 54.000 0.027 0.000 0.797 492 D CB -1.132 39.822 40.800 0.256 0.000 1.149 492 D HN 0.823 nan 8.370 nan 0.000 0.455 493 T N -2.424 112.063 114.554 -0.111 0.000 2.698 493 T HA 0.214 4.578 4.350 0.023 0.000 0.295 493 T C 1.566 176.131 174.700 -0.225 0.000 1.007 493 T CA 0.452 62.418 62.100 -0.223 0.000 0.980 493 T CB 0.857 69.385 68.868 -0.568 0.000 1.036 493 T HN 0.079 nan 8.240 nan 0.000 0.526 494 T N -2.652 111.755 114.554 -0.245 0.000 3.160 494 T HA 0.263 4.627 4.350 0.023 0.000 0.257 494 T C 1.466 175.906 174.700 -0.434 0.000 1.147 494 T CA 0.199 62.165 62.100 -0.224 0.000 1.064 494 T CB -0.444 68.374 68.868 -0.083 0.000 0.949 494 T HN 0.826 nan 8.240 nan 0.000 0.526 495 A N 0.533 123.109 122.820 -0.406 0.000 2.460 495 A HA 0.523 4.857 4.320 0.023 0.000 0.258 495 A C 0.781 178.197 177.584 -0.280 0.000 1.300 495 A CA -0.322 51.447 52.037 -0.446 0.000 0.913 495 A CB 0.029 19.033 19.000 0.006 0.000 1.031 495 A HN 0.428 nan 8.150 nan 0.000 0.512 496 T N -1.545 112.858 114.554 -0.251 0.000 2.952 496 T HA 0.371 4.735 4.350 0.023 0.000 0.305 496 T C -0.647 174.077 174.700 0.041 0.000 1.064 496 T CA -0.417 61.691 62.100 0.013 0.000 1.008 496 T CB 1.298 70.166 68.868 0.001 0.000 1.078 496 T HN 0.061 nan 8.240 nan 0.000 0.459 497 D N 2.797 123.303 120.400 0.178 0.000 2.348 497 D HA 0.277 4.931 4.640 0.023 0.000 0.211 497 D C 0.335 176.668 176.300 0.055 0.000 0.998 497 D CA 0.715 54.802 54.000 0.145 0.000 0.873 497 D CB 0.343 41.259 40.800 0.193 0.000 0.925 497 D HN 0.556 nan 8.370 nan 0.000 0.524 498 I N 0.928 121.511 120.570 0.023 0.000 2.545 498 I HA 0.258 4.442 4.170 0.023 0.000 0.292 498 I C -0.174 175.877 176.117 -0.111 0.000 1.040 498 I CA -0.902 60.375 61.300 -0.038 0.000 1.068 498 I CB 2.798 40.787 38.000 -0.020 0.000 1.251 498 I HN -0.344 nan 8.210 nan 0.000 0.424 499 I N 5.641 126.099 120.570 -0.186 0.000 2.505 499 I HA 0.051 4.235 4.170 0.023 0.000 0.287 499 I C 0.124 176.032 176.117 -0.349 0.000 1.104 499 I CA 0.006 61.097 61.300 -0.348 0.000 1.387 499 I CB 0.107 37.793 38.000 -0.522 0.000 1.404 499 I HN 0.676 nan 8.210 nan 0.000 0.528 500 C N 5.668 124.776 119.300 -0.319 0.000 3.414 500 C HA 0.484 4.958 4.460 0.023 0.000 0.208 500 C C -2.188 172.666 174.990 -0.227 0.000 1.422 500 C CA -2.247 56.638 59.018 -0.222 0.000 1.437 500 C CB -0.846 26.821 27.740 -0.121 0.000 1.850 500 C HN 0.418 nan 8.230 nan 0.000 0.481 501 P HA 0.368 nan 4.420 nan 0.000 0.274 501 P C -0.470 176.779 177.300 -0.086 0.000 1.256 501 P CA 0.109 63.108 63.100 -0.169 0.000 0.795 501 P CB 0.804 32.423 31.700 -0.135 0.000 1.038 502 M N -0.152 119.425 119.600 -0.037 0.000 2.181 502 M HA 0.448 4.942 4.480 0.023 0.000 0.323 502 M C -0.861 175.420 176.300 -0.031 0.000 1.004 502 M CA -0.676 54.512 55.300 -0.186 0.000 0.941 502 M CB 1.139 33.638 32.600 -0.168 0.000 1.579 502 M HN 0.319 nan 8.290 nan 0.000 0.427 503 Y N -0.264 120.207 120.300 0.284 0.000 4.272 503 Y HA -0.206 4.358 4.550 0.024 0.000 0.232 503 Y C 0.443 176.516 175.900 0.290 0.000 1.149 503 Y CA 0.450 58.721 58.100 0.284 0.000 1.961 503 Y CB -2.317 36.280 38.460 0.228 0.000 1.611 503 Y HN 0.969 nan 8.280 nan 0.000 0.682 504 A N 1.109 124.138 122.820 0.349 0.000 2.440 504 A HA 0.613 4.947 4.320 0.023 0.000 0.251 504 A C 0.721 178.526 177.584 0.367 0.000 1.089 504 A CA -0.492 51.759 52.037 0.357 0.000 0.779 504 A CB 0.436 19.693 19.000 0.429 0.000 1.022 504 A HN 0.415 nan 8.150 nan 0.000 0.492 505 R N 1.441 122.091 120.500 0.251 0.000 2.546 505 R HA 0.350 4.704 4.340 0.023 0.000 0.266 505 R C 1.004 177.279 176.300 -0.041 0.000 1.086 505 R CA -0.755 55.428 56.100 0.138 0.000 1.160 505 R CB 0.600 30.949 30.300 0.080 0.000 1.138 505 R HN 0.484 nan 8.270 nan 0.000 0.567 506 V N 0.621 120.346 119.914 -0.315 0.000 2.244 506 V HA -0.205 3.929 4.120 0.023 0.000 0.244 506 V C 1.031 177.007 176.094 -0.197 0.000 1.042 506 V CA 1.868 63.939 62.300 -0.383 0.000 1.006 506 V CB -0.255 31.209 31.823 -0.599 0.000 0.641 506 V HN 0.750 nan 8.190 nan 0.000 0.446 507 D N -1.439 118.878 120.400 -0.138 0.000 2.454 507 D HA 0.096 4.750 4.640 0.023 0.000 0.219 507 D C 0.905 177.188 176.300 -0.028 0.000 1.081 507 D CA 0.055 54.010 54.000 -0.076 0.000 0.867 507 D CB 0.739 41.500 40.800 -0.065 0.000 1.054 507 D HN 0.471 nan 8.370 nan 0.000 0.500 508 E N 1.937 122.125 120.200 -0.021 0.000 2.200 508 E HA 0.104 4.468 4.350 0.023 0.000 0.283 508 E C -0.825 175.773 176.600 -0.003 0.000 1.015 508 E CA -0.562 55.833 56.400 -0.007 0.000 0.819 508 E CB 0.965 30.662 29.700 -0.005 0.000 1.081 508 E HN -0.161 nan 8.360 nan 0.000 0.397 509 D N 3.488 123.886 120.400 -0.004 0.000 2.313 509 D HA 0.139 4.793 4.640 0.023 0.000 0.247 509 D C -0.533 175.658 176.300 -0.183 0.000 1.094 509 D CA 0.101 54.084 54.000 -0.028 0.000 0.925 509 D CB 1.169 42.009 40.800 0.067 0.000 1.188 509 D HN 0.419 nan 8.370 nan 0.000 0.430 510 Q N 1.155 120.728 119.800 -0.377 0.000 2.932 510 Q HA 0.228 4.582 4.340 0.023 0.000 0.248 510 Q C -2.184 173.221 176.000 -0.991 0.000 0.982 510 Q CA -1.485 53.896 55.803 -0.702 0.000 0.730 510 Q CB 2.151 30.471 28.738 -0.698 0.000 1.249 510 Q HN 0.155 nan 8.270 nan 0.000 0.476 511 P HA -0.079 nan 4.420 nan 0.000 0.246 511 P C -0.668 176.326 177.300 -0.509 0.000 1.675 511 P CA 0.170 62.879 63.100 -0.652 0.000 0.908 511 P CB -0.726 30.801 31.700 -0.289 0.000 1.890 512 F N 1.867 121.642 119.950 -0.292 0.000 2.563 512 F HA 0.142 4.683 4.527 0.022 0.000 0.363 512 F C -1.147 174.547 175.800 -0.175 0.000 1.123 512 F CA -2.344 55.545 58.000 -0.185 0.000 1.307 512 F CB -0.740 38.171 39.000 -0.148 0.000 1.115 512 F HN 0.038 nan 8.300 nan 0.000 0.592 513 P HA 0.122 nan 4.420 nan 0.000 0.268 513 P C 0.358 177.676 177.300 0.029 0.000 1.205 513 P CA 0.867 63.984 63.100 0.030 0.000 0.771 513 P CB 1.179 32.897 31.700 0.030 0.000 0.858 514 A N 2.595 125.427 122.820 0.020 0.000 2.617 514 A HA -0.248 4.086 4.320 0.023 0.000 0.236 514 A C 0.723 178.320 177.584 0.021 0.000 0.551 514 A CA 2.061 54.114 52.037 0.027 0.000 1.144 514 A CB -2.704 16.311 19.000 0.025 0.000 1.384 514 A HN 0.724 nan 8.150 nan 0.000 0.694 515 V N -3.086 116.833 119.914 0.008 0.000 2.468 515 V HA 0.563 4.697 4.120 0.023 0.000 0.256 515 V C -2.384 173.696 176.094 -0.023 0.000 0.998 515 V CA -1.230 61.073 62.300 0.004 0.000 1.114 515 V CB 0.612 32.439 31.823 0.008 0.000 1.378 515 V HN 0.497 nan 8.190 nan 0.000 0.573 516 P HA 0.270 nan 4.420 nan 0.000 0.272 516 P C -0.607 176.257 177.300 -0.726 0.000 1.223 516 P CA 0.130 62.860 63.100 -0.616 0.000 0.784 516 P CB 0.996 31.842 31.700 -1.424 0.000 0.923 517 K N 2.238 122.283 120.400 -0.591 0.000 2.419 517 K HA 0.212 4.546 4.320 0.023 0.000 0.244 517 K C -0.438 175.852 176.600 -0.516 0.000 1.045 517 K CA -0.278 55.839 56.287 -0.284 0.000 1.004 517 K CB 0.360 32.959 32.500 0.165 0.000 1.376 517 K HN 0.465 nan 8.250 nan 0.000 0.460 518 W N 1.244 122.228 121.300 -0.528 0.000 2.093 518 W HA 0.070 4.744 4.660 0.023 0.000 0.352 518 W C 1.289 177.812 176.519 0.006 0.000 1.294 518 W CA -0.536 56.590 57.345 -0.365 0.000 1.290 518 W CB 0.445 29.490 29.460 -0.691 0.000 1.149 518 W HN 0.359 nan 8.180 nan 0.000 0.606 519 S N 2.889 118.738 115.700 0.249 0.000 2.552 519 S HA -0.065 4.419 4.470 0.023 0.000 0.289 519 S C 1.203 175.955 174.600 0.253 0.000 1.304 519 S CA -0.226 58.074 58.200 0.166 0.000 1.063 519 S CB 0.105 63.352 63.200 0.078 0.000 0.848 519 S HN 0.514 nan 8.310 nan 0.000 0.499 520 I N 2.357 123.045 120.570 0.196 0.000 2.335 520 I HA -0.169 4.015 4.170 0.023 0.000 0.251 520 I C 2.036 178.189 176.117 0.061 0.000 1.129 520 I CA 1.303 62.719 61.300 0.193 0.000 1.402 520 I CB -0.428 37.626 38.000 0.090 0.000 1.069 520 I HN 0.605 nan 8.210 nan 0.000 0.424 521 K N 1.592 121.929 120.400 -0.104 0.000 2.057 521 K HA -0.169 4.165 4.320 0.023 0.000 0.206 521 K C 2.304 178.908 176.600 0.008 0.000 1.050 521 K CA 1.824 57.970 56.287 -0.235 0.000 0.935 521 K CB -0.204 32.078 32.500 -0.364 0.000 0.715 521 K HN 0.380 nan 8.250 nan 0.000 0.439 522 K N 0.137 120.564 120.400 0.045 0.000 2.155 522 K HA -0.164 4.170 4.320 0.023 0.000 0.203 522 K C 1.916 178.556 176.600 0.067 0.000 1.052 522 K CA 0.754 57.058 56.287 0.028 0.000 0.948 522 K CB -0.062 32.425 32.500 -0.021 0.000 0.728 522 K HN 0.196 nan 8.250 nan 0.000 0.448 523 W N 2.030 123.329 121.300 -0.002 0.000 2.335 523 W HA -0.187 4.486 4.660 0.021 0.000 0.311 523 W C 1.530 178.036 176.519 -0.021 0.000 1.213 523 W CA 1.179 58.531 57.345 0.011 0.000 1.274 523 W CB -0.709 28.835 29.460 0.139 0.000 1.148 523 W HN 0.085 nan 8.180 nan 0.000 0.498 524 L N 0.962 122.345 121.223 0.267 0.000 2.189 524 L HA -0.260 4.094 4.340 0.023 0.000 0.214 524 L C 2.223 179.161 176.870 0.114 0.000 1.097 524 L CA 1.981 56.913 54.840 0.152 0.000 0.764 524 L CB -0.900 41.238 42.059 0.131 0.000 0.900 524 L HN 0.031 nan 8.230 nan 0.000 0.436 525 S N -1.663 114.092 115.700 0.090 0.000 2.557 525 S HA 0.237 4.721 4.470 0.023 0.000 0.223 525 S C 0.618 175.208 174.600 -0.017 0.000 0.969 525 S CA -0.544 57.678 58.200 0.036 0.000 0.927 525 S CB -0.295 62.925 63.200 0.035 0.000 0.806 525 S HN 0.157 nan 8.310 nan 0.000 0.489 526 L N 2.082 123.285 121.223 -0.032 0.000 2.529 526 L HA 0.193 4.547 4.340 0.023 0.000 0.287 526 L C -2.191 174.645 176.870 -0.056 0.000 1.241 526 L CA -1.558 53.212 54.840 -0.116 0.000 0.857 526 L CB -0.340 41.627 42.059 -0.154 0.000 1.113 526 L HN 0.032 nan 8.230 nan 0.000 0.504 527 P HA -0.038 nan 4.420 nan 0.000 0.260 527 P C 0.753 178.043 177.300 -0.016 0.000 1.172 527 P CA 1.143 64.217 63.100 -0.043 0.000 0.760 527 P CB 0.513 32.182 31.700 -0.053 0.000 0.773 528 G N 1.858 110.656 108.800 -0.003 0.000 2.234 528 G HA2 -0.288 3.686 3.960 0.023 0.000 0.260 528 G HA3 -0.288 3.686 3.960 0.023 0.000 0.260 528 G C 0.324 175.238 174.900 0.023 0.000 0.987 528 G CA 0.204 45.311 45.100 0.010 0.000 0.625 528 G HN 0.618 nan 8.290 nan 0.000 0.532 529 E N 1.147 121.366 120.200 0.033 0.000 2.360 529 E HA 0.563 4.927 4.350 0.023 0.000 0.269 529 E C 1.357 177.980 176.600 0.038 0.000 1.022 529 E CA 0.839 57.270 56.400 0.052 0.000 0.887 529 E CB 0.715 30.472 29.700 0.096 0.000 0.990 529 E HN 0.584 nan 8.360 nan 0.000 0.426 530 T N 0.592 115.165 114.554 0.031 0.000 3.130 530 T HA 0.333 4.697 4.350 0.023 0.000 0.288 530 T C 0.555 175.263 174.700 0.012 0.000 0.936 530 T CA -0.490 61.623 62.100 0.022 0.000 0.897 530 T CB 0.087 68.967 68.868 0.020 0.000 1.178 530 T HN 0.241 nan 8.240 nan 0.000 0.543 531 R N 2.175 122.678 120.500 0.004 0.000 2.649 531 R HA 0.501 4.856 4.340 0.023 0.000 0.270 531 R C -2.558 173.720 176.300 -0.035 0.000 1.105 531 R CA -1.913 54.180 56.100 -0.013 0.000 1.193 531 R CB 0.113 30.399 30.300 -0.023 0.000 1.120 531 R HN 0.200 nan 8.270 nan 0.000 0.561 532 P HA 0.092 nan 4.420 nan 0.000 0.274 532 P C -1.119 176.111 177.300 -0.118 0.000 1.237 532 P CA -0.114 62.943 63.100 -0.071 0.000 0.793 532 P CB 0.647 32.306 31.700 -0.070 0.000 0.977 533 L N 2.515 123.650 121.223 -0.147 0.000 2.376 533 L HA 0.576 4.930 4.340 0.023 0.000 0.275 533 L C -1.097 175.633 176.870 -0.233 0.000 0.987 533 L CA -0.642 54.073 54.840 -0.208 0.000 0.828 533 L CB 0.594 42.524 42.059 -0.214 0.000 1.249 533 L HN 0.230 nan 8.230 nan 0.000 0.409 534 I N 5.652 126.091 120.570 -0.218 0.000 2.468 534 I HA 0.260 4.444 4.170 0.023 0.000 0.285 534 I C -0.749 175.272 176.117 -0.158 0.000 1.039 534 I CA -0.594 60.561 61.300 -0.241 0.000 1.074 534 I CB 1.970 39.885 38.000 -0.142 0.000 1.228 534 I HN 0.486 nan 8.210 nan 0.000 0.436 535 L N 5.857 126.953 121.223 -0.211 0.000 2.462 535 L HA 0.019 4.373 4.340 0.023 0.000 0.272 535 L C 1.483 178.425 176.870 0.119 0.000 1.166 535 L CA -0.114 54.676 54.840 -0.083 0.000 0.880 535 L CB 0.482 42.475 42.059 -0.110 0.000 1.142 535 L HN 0.842 nan 8.230 nan 0.000 0.473 536 C N 0.170 119.521 119.300 0.084 0.000 2.456 536 C HA 0.147 4.621 4.460 0.023 0.000 0.279 536 C C 0.596 175.727 174.990 0.236 0.000 1.427 536 C CA -0.199 58.917 59.018 0.164 0.000 1.778 536 C CB -1.188 26.564 27.740 0.020 0.000 1.842 536 C HN 0.832 nan 8.230 nan 0.000 0.531 537 E N -0.833 119.441 120.200 0.123 0.000 2.335 537 E HA 0.622 4.986 4.350 0.023 0.000 0.280 537 E C -1.367 175.171 176.600 -0.104 0.000 0.918 537 E CA -0.432 56.026 56.400 0.098 0.000 0.765 537 E CB 1.987 31.631 29.700 -0.095 0.000 1.218 537 E HN 0.666 nan 8.360 nan 0.000 0.425 538 Y N -1.403 118.861 120.300 -0.059 0.000 2.713 538 Y HA 0.598 5.162 4.550 0.025 0.000 0.335 538 Y C -0.789 175.268 175.900 0.262 0.000 1.222 538 Y CA -0.826 57.247 58.100 -0.044 0.000 1.061 538 Y CB 0.805 39.093 38.460 -0.286 0.000 1.314 538 Y HN 0.698 nan 8.280 nan 0.000 0.453 539 A N 1.817 124.699 122.820 0.104 0.000 2.416 539 A HA -0.261 4.073 4.320 0.023 0.000 0.293 539 A C -0.356 177.348 177.584 0.200 0.000 1.452 539 A CA 1.065 53.152 52.037 0.084 0.000 0.738 539 A CB -2.500 16.433 19.000 -0.112 0.000 1.123 539 A HN 1.110 nan 8.150 nan 0.000 0.389 540 H N 0.477 119.698 119.070 0.252 0.000 3.184 540 H HA 0.259 4.829 4.556 0.023 0.000 0.274 540 H C 1.046 176.426 175.328 0.086 0.000 0.962 540 H CA 0.928 57.118 56.048 0.237 0.000 1.441 540 H CB 0.518 30.309 29.762 0.047 0.000 1.518 540 H HN 0.812 nan 8.280 nan 0.000 0.539 541 A N 6.752 129.444 122.820 -0.214 0.000 2.929 541 A HA 0.092 4.426 4.320 0.023 0.000 0.279 541 A C 0.785 178.210 177.584 -0.264 0.000 1.418 541 A CA -0.485 51.420 52.037 -0.219 0.000 1.035 541 A CB -0.535 18.314 19.000 -0.252 0.000 1.047 541 A HN 0.801 nan 8.150 nan 0.000 0.609 542 M N 1.543 120.985 119.600 -0.262 0.000 2.156 542 M HA 0.451 4.945 4.480 0.023 0.000 0.345 542 M C 0.915 177.105 176.300 -0.183 0.000 1.398 542 M CA 1.327 56.505 55.300 -0.204 0.000 1.148 542 M CB -0.237 32.316 32.600 -0.079 0.000 1.663 542 M HN 0.859 nan 8.290 nan 0.000 0.464 543 G N 4.256 112.933 108.800 -0.205 0.000 2.528 543 G HA2 -0.330 3.644 3.960 0.023 0.000 0.262 543 G HA3 -0.330 3.644 3.960 0.023 0.000 0.262 543 G C -0.351 174.095 174.900 -0.756 0.000 1.200 543 G CA 0.031 44.829 45.100 -0.504 0.000 0.951 543 G HN 0.854 nan 8.290 nan 0.000 0.566 544 N N 1.185 119.293 118.700 -0.986 0.000 2.508 544 N HA 0.534 5.288 4.740 0.023 0.000 0.253 544 N C -0.065 175.226 175.510 -0.365 0.000 1.145 544 N CA 1.008 53.640 53.050 -0.698 0.000 0.973 544 N CB 0.552 38.632 38.487 -0.678 0.000 1.305 544 N HN 0.855 nan 8.380 nan 0.000 0.506 545 S N 2.138 117.704 115.700 -0.224 0.000 2.880 545 S HA 0.638 5.122 4.470 0.023 0.000 0.308 545 S C -0.263 174.290 174.600 -0.079 0.000 1.195 545 S CA -0.356 57.762 58.200 -0.136 0.000 0.866 545 S CB 0.213 63.348 63.200 -0.108 0.000 1.254 545 S HN 0.353 nan 8.310 nan 0.000 0.571 546 L N 0.090 121.297 121.223 -0.026 0.000 4.696 546 L HA -0.043 4.311 4.340 0.023 0.000 0.398 546 L C 0.521 177.444 176.870 0.088 0.000 0.971 546 L CA 0.962 55.811 54.840 0.016 0.000 1.427 546 L CB -1.777 40.211 42.059 -0.118 0.000 1.965 546 L HN 0.756 nan 8.230 nan 0.000 0.593 547 G N -0.671 108.150 108.800 0.035 0.000 2.365 547 G HA2 0.483 4.457 3.960 0.023 0.000 0.249 547 G HA3 0.483 4.457 3.960 0.023 0.000 0.249 547 G C 1.218 176.168 174.900 0.083 0.000 1.288 547 G CA 0.251 45.351 45.100 -0.001 0.000 0.887 547 G HN 1.439 nan 8.290 nan 0.000 0.524 548 G N 1.615 110.458 108.800 0.073 0.000 2.141 548 G HA2 -0.307 3.667 3.960 0.023 0.000 0.242 548 G HA3 -0.307 3.667 3.960 0.023 0.000 0.242 548 G C 0.915 176.003 174.900 0.313 0.000 0.982 548 G CA 0.693 45.887 45.100 0.158 0.000 0.662 548 G HN 0.784 nan 8.290 nan 0.000 0.527 549 F N 1.615 121.689 119.950 0.207 0.000 2.171 549 F HA 0.164 4.705 4.527 0.024 0.000 0.300 549 F C 2.610 178.630 175.800 0.366 0.000 1.090 549 F CA 2.311 60.509 58.000 0.330 0.000 1.293 549 F CB -0.415 38.718 39.000 0.222 0.000 1.013 549 F HN 0.344 nan 8.300 nan 0.000 0.486 550 A N -0.295 122.690 122.820 0.274 0.000 1.972 550 A HA -0.235 4.099 4.320 0.023 0.000 0.219 550 A C 2.301 179.905 177.584 0.033 0.000 1.169 550 A CA 1.737 53.865 52.037 0.151 0.000 0.635 550 A CB -0.788 18.303 19.000 0.152 0.000 0.810 550 A HN 0.442 nan 8.150 nan 0.000 0.446 551 K N -1.643 118.765 120.400 0.013 0.000 2.097 551 K HA -0.171 4.163 4.320 0.023 0.000 0.206 551 K C 1.705 178.082 176.600 -0.371 0.000 1.049 551 K CA 1.575 57.784 56.287 -0.131 0.000 0.933 551 K CB -0.306 32.124 32.500 -0.116 0.000 0.717 551 K HN 0.571 nan 8.250 nan 0.000 0.442 552 Y N -0.747 119.291 120.300 -0.437 0.000 2.145 552 Y HA -0.242 4.322 4.550 0.022 0.000 0.286 552 Y C 1.985 176.905 175.900 -1.634 0.000 1.145 552 Y CA 1.639 59.119 58.100 -1.033 0.000 1.148 552 Y CB -0.363 37.456 38.460 -1.069 0.000 0.981 552 Y HN 0.174 nan 8.280 nan 0.000 0.507 553 W N 0.040 120.892 121.300 -0.747 0.000 2.342 553 W HA -0.229 4.446 4.660 0.025 0.000 0.297 553 W C 2.624 178.944 176.519 -0.333 0.000 1.213 553 W CA 1.594 58.629 57.345 -0.518 0.000 1.251 553 W CB -0.619 28.638 29.460 -0.338 0.000 1.136 553 W HN 0.061 nan 8.180 nan 0.000 0.526 554 Q N 0.599 120.293 119.800 -0.176 0.000 2.084 554 Q HA -0.176 4.178 4.340 0.023 0.000 0.202 554 Q C 2.220 178.134 176.000 -0.144 0.000 0.978 554 Q CA 2.049 57.788 55.803 -0.107 0.000 0.844 554 Q CB -0.545 28.148 28.738 -0.075 0.000 0.898 554 Q HN 0.292 nan 8.270 nan 0.000 0.426 555 A N -0.202 122.430 122.820 -0.314 0.000 1.929 555 A HA -0.081 4.253 4.320 0.023 0.000 0.216 555 A C 2.001 179.529 177.584 -0.092 0.000 1.176 555 A CA 0.810 52.700 52.037 -0.245 0.000 0.628 555 A CB -0.963 17.761 19.000 -0.461 0.000 0.816 555 A HN 0.454 nan 8.150 nan 0.000 0.444 556 F N -0.149 119.616 119.950 -0.308 0.000 2.126 556 F HA -0.236 4.306 4.527 0.024 0.000 0.299 556 F C 2.747 178.442 175.800 -0.175 0.000 1.096 556 F CA 1.200 58.990 58.000 -0.350 0.000 1.255 556 F CB -0.184 38.388 39.000 -0.714 0.000 0.997 556 F HN 0.160 nan 8.300 nan 0.000 0.479 557 R N -0.006 120.534 120.500 0.067 0.000 2.115 557 R HA -0.153 4.201 4.340 0.023 0.000 0.226 557 R C 2.088 178.418 176.300 0.050 0.000 1.100 557 R CA 1.064 57.193 56.100 0.048 0.000 0.980 557 R CB -0.408 29.913 30.300 0.036 0.000 0.875 557 R HN 0.382 nan 8.270 nan 0.000 0.445 558 Q N -0.254 119.606 119.800 0.099 0.000 2.187 558 Q HA -0.056 4.298 4.340 0.023 0.000 0.199 558 Q C -0.447 175.602 176.000 0.081 0.000 0.957 558 Q CA 0.914 56.779 55.803 0.102 0.000 0.857 558 Q CB 0.392 29.239 28.738 0.181 0.000 0.929 558 Q HN 0.197 nan 8.270 nan 0.000 0.453 559 Y N 0.134 120.412 120.300 -0.037 0.000 2.369 559 Y HA 0.261 4.824 4.550 0.022 0.000 0.337 559 Y C -1.789 174.083 175.900 -0.047 0.000 0.961 559 Y CA -2.809 55.270 58.100 -0.035 0.000 1.186 559 Y CB 1.404 39.848 38.460 -0.026 0.000 1.139 559 Y HN 0.126 nan 8.280 nan 0.000 0.494 560 P HA -0.205 nan 4.420 nan 0.000 0.216 560 P C 1.145 178.443 177.300 -0.003 0.000 1.157 560 P CA 1.916 65.012 63.100 -0.005 0.000 0.880 560 P CB 0.309 31.991 31.700 -0.030 0.000 0.791 561 R N -1.256 119.262 120.500 0.030 0.000 2.280 561 R HA 0.074 4.428 4.340 0.023 0.000 0.207 561 R C 0.560 176.840 176.300 -0.033 0.000 1.043 561 R CA 0.174 56.275 56.100 0.002 0.000 1.006 561 R CB -0.506 29.805 30.300 0.019 0.000 0.885 561 R HN 0.244 nan 8.270 nan 0.000 0.467 562 L N 2.066 123.289 121.223 -0.000 0.000 2.334 562 L HA 0.106 4.460 4.340 0.023 0.000 0.286 562 L C 0.524 177.254 176.870 -0.232 0.000 1.108 562 L CA 0.189 54.983 54.840 -0.076 0.000 0.875 562 L CB 0.992 43.079 42.059 0.046 0.000 1.246 562 L HN 0.104 nan 8.230 nan 0.000 0.439 563 Q N 2.764 122.348 119.800 -0.360 0.000 2.201 563 Q HA 0.321 4.675 4.340 0.023 0.000 0.217 563 Q C 0.798 176.381 176.000 -0.696 0.000 0.860 563 Q CA 0.065 55.614 55.803 -0.423 0.000 0.984 563 Q CB 1.015 29.596 28.738 -0.260 0.000 1.095 563 Q HN 0.934 nan 8.270 nan 0.000 0.477 564 G N -0.408 107.579 108.800 -1.356 0.000 2.384 564 G HA2 0.158 4.132 3.960 0.023 0.000 0.204 564 G HA3 0.158 4.132 3.960 0.023 0.000 0.204 564 G C -0.429 173.653 174.900 -1.365 0.000 1.237 564 G CA -0.747 43.300 45.100 -1.755 0.000 1.060 564 G HN 0.539 nan 8.290 nan 0.000 0.514 565 G N -2.163 106.129 108.800 -0.847 0.000 2.356 565 G HA2 0.639 4.613 3.960 0.023 0.000 0.294 565 G HA3 0.639 4.613 3.960 0.023 0.000 0.294 565 G C -1.840 173.006 174.900 -0.090 0.000 1.423 565 G CA -0.373 44.442 45.100 -0.475 0.000 0.806 565 G HN 1.119 nan 8.290 nan 0.000 0.527 566 F N 0.839 121.031 119.950 0.402 0.000 2.403 566 F HA 0.505 5.045 4.527 0.022 0.000 0.355 566 F C 0.827 176.901 175.800 0.456 0.000 1.119 566 F CA -0.715 57.529 58.000 0.408 0.000 1.007 566 F CB 1.960 41.097 39.000 0.229 0.000 1.194 566 F HN 0.255 nan 8.300 nan 0.000 0.443 567 V N 3.299 123.482 119.914 0.449 0.000 2.872 567 V HA -0.144 3.990 4.120 0.023 0.000 0.307 567 V C -0.223 175.992 176.094 0.203 0.000 1.072 567 V CA -0.206 62.146 62.300 0.087 0.000 1.148 567 V CB 0.787 32.676 31.823 0.112 0.000 0.954 567 V HN 0.759 nan 8.190 nan 0.000 0.490 568 W N 6.372 127.729 121.300 0.094 0.000 2.299 568 W HA 0.458 5.131 4.660 0.023 0.000 0.319 568 W C -0.856 175.627 176.519 -0.061 0.000 1.008 568 W CA -0.631 56.794 57.345 0.133 0.000 1.384 568 W CB 1.210 30.926 29.460 0.427 0.000 1.220 568 W HN 0.934 nan 8.180 nan 0.000 0.402 569 D N 2.448 122.539 120.400 -0.515 0.000 2.825 569 D HA 0.071 4.725 4.640 0.023 0.000 0.327 569 D C 0.639 176.679 176.300 -0.433 0.000 1.277 569 D CA -0.554 52.990 54.000 -0.759 0.000 0.950 569 D CB 0.194 39.928 40.800 -1.776 0.000 1.438 569 D HN 0.379 nan 8.370 nan 0.000 0.526 570 W N 0.419 121.366 121.300 -0.588 0.000 2.381 570 W HA 0.105 4.779 4.660 0.024 0.000 0.321 570 W C -0.017 176.249 176.519 -0.421 0.000 1.196 570 W CA 1.248 58.312 57.345 -0.468 0.000 1.304 570 W CB 0.235 29.452 29.460 -0.405 0.000 1.166 570 W HN 0.153 nan 8.180 nan 0.000 0.473 571 V N 2.678 122.322 119.914 -0.450 0.000 2.604 571 V HA 0.222 4.356 4.120 0.023 0.000 0.305 571 V C -0.785 175.085 176.094 -0.374 0.000 1.043 571 V CA -0.814 61.182 62.300 -0.507 0.000 0.888 571 V CB 1.435 33.076 31.823 -0.305 0.000 0.995 571 V HN -0.069 nan 8.190 nan 0.000 0.429 572 D N 4.293 124.481 120.400 -0.354 0.000 2.525 572 D HA 0.063 4.718 4.640 0.023 0.000 0.235 572 D C 0.283 176.404 176.300 -0.298 0.000 1.137 572 D CA 0.666 54.518 54.000 -0.247 0.000 0.868 572 D CB 0.817 41.577 40.800 -0.066 0.000 1.180 572 D HN 0.617 nan 8.370 nan 0.000 0.465 573 Q N 1.092 120.650 119.800 -0.404 0.000 3.122 573 Q HA 0.135 4.489 4.340 0.023 0.000 0.360 573 Q C -0.013 175.945 176.000 -0.070 0.000 1.300 573 Q CA -0.345 54.993 55.803 -0.774 0.000 0.982 573 Q CB 0.011 28.422 28.738 -0.544 0.000 1.534 573 Q HN 0.337 nan 8.270 nan 0.000 0.474 574 S N -0.096 115.671 115.700 0.111 0.000 2.616 574 S HA 0.595 5.079 4.470 0.023 0.000 0.277 574 S C -0.091 174.679 174.600 0.284 0.000 1.234 574 S CA -0.770 57.599 58.200 0.281 0.000 1.028 574 S CB 1.431 64.774 63.200 0.238 0.000 0.988 574 S HN 0.358 nan 8.310 nan 0.000 0.522 575 L N 1.704 123.022 121.223 0.159 0.000 2.330 575 L HA 0.540 4.894 4.340 0.023 0.000 0.271 575 L C -0.470 176.307 176.870 -0.155 0.000 1.013 575 L CA -1.251 53.553 54.840 -0.060 0.000 0.816 575 L CB 1.427 43.327 42.059 -0.266 0.000 1.287 575 L HN 0.560 nan 8.230 nan 0.000 0.435 576 I N 2.104 122.527 120.570 -0.245 0.000 2.365 576 I HA 0.302 4.486 4.170 0.023 0.000 0.291 576 I C 0.120 175.834 176.117 -0.672 0.000 1.004 576 I CA -0.135 60.890 61.300 -0.458 0.000 1.311 576 I CB 1.233 38.966 38.000 -0.445 0.000 1.401 576 I HN 0.555 nan 8.210 nan 0.000 0.491 577 K N 4.978 124.697 120.400 -1.136 0.000 2.306 577 K HA 0.576 4.910 4.320 0.023 0.000 0.236 577 K C -1.564 174.266 176.600 -1.285 0.000 1.013 577 K CA -0.649 54.892 56.287 -1.242 0.000 0.857 577 K CB 2.141 33.660 32.500 -1.634 0.000 1.214 577 K HN 0.261 nan 8.250 nan 0.000 0.449 578 Y N 0.974 121.088 120.300 -0.309 0.000 2.361 578 Y HA 0.124 4.688 4.550 0.023 0.000 0.337 578 Y C 0.044 176.069 175.900 0.209 0.000 0.965 578 Y CA -1.121 56.968 58.100 -0.018 0.000 1.091 578 Y CB 1.298 39.743 38.460 -0.026 0.000 1.182 578 Y HN 0.694 nan 8.280 nan 0.000 0.450 579 D N 0.528 121.198 120.400 0.450 0.000 2.398 579 D HA 0.012 4.666 4.640 0.023 0.000 0.264 579 D C 0.887 177.297 176.300 0.183 0.000 1.263 579 D CA -0.228 53.952 54.000 0.299 0.000 1.037 579 D CB 0.505 41.410 40.800 0.174 0.000 1.101 579 D HN 0.703 nan 8.370 nan 0.000 0.551 580 E N -0.265 119.999 120.200 0.106 0.000 2.070 580 E HA -0.259 4.105 4.350 0.023 0.000 0.197 580 E C 1.222 177.858 176.600 0.060 0.000 1.004 580 E CA 1.224 57.662 56.400 0.064 0.000 0.805 580 E CB -0.627 29.092 29.700 0.032 0.000 0.744 580 E HN 0.402 nan 8.360 nan 0.000 0.451 581 N N 0.709 119.449 118.700 0.067 0.000 2.550 581 N HA -0.018 4.736 4.740 0.023 0.000 0.186 581 N C 1.118 176.674 175.510 0.077 0.000 1.110 581 N CA 1.100 54.186 53.050 0.059 0.000 0.912 581 N CB 0.388 38.908 38.487 0.055 0.000 0.968 581 N HN 0.457 nan 8.380 nan 0.000 0.448 582 G N 0.712 109.584 108.800 0.119 0.000 2.160 582 G HA2 -0.246 3.728 3.960 0.023 0.000 0.244 582 G HA3 -0.246 3.728 3.960 0.023 0.000 0.244 582 G C -0.432 174.615 174.900 0.245 0.000 1.022 582 G CA -0.406 44.781 45.100 0.144 0.000 0.741 582 G HN 0.304 nan 8.290 nan 0.000 0.508 583 N N 1.002 119.847 118.700 0.243 0.000 2.498 583 N HA 0.497 5.251 4.740 0.023 0.000 0.287 583 N C -2.792 172.875 175.510 0.261 0.000 1.097 583 N CA -1.234 51.954 53.050 0.230 0.000 0.973 583 N CB 1.824 40.406 38.487 0.158 0.000 1.153 583 N HN 0.079 nan 8.380 nan 0.000 0.472 584 P HA 0.317 nan 4.420 nan 0.000 0.284 584 P C -0.567 176.705 177.300 -0.048 0.000 1.253 584 P CA -0.340 62.645 63.100 -0.192 0.000 0.800 584 P CB 0.597 32.146 31.700 -0.252 0.000 0.961 585 W N -0.362 120.713 121.300 -0.375 0.000 3.083 585 W HA 0.494 5.168 4.660 0.023 0.000 0.333 585 W C -1.412 174.938 176.519 -0.280 0.000 1.217 585 W CA -1.126 56.002 57.345 -0.361 0.000 1.170 585 W CB 0.283 29.284 29.460 -0.764 0.000 1.437 585 W HN 0.080 nan 8.180 nan 0.000 0.557 586 S N 1.656 117.400 115.700 0.073 0.000 2.416 586 S HA 0.573 5.057 4.470 0.023 0.000 0.287 586 S C 0.199 174.941 174.600 0.237 0.000 1.139 586 S CA -0.258 57.987 58.200 0.074 0.000 1.058 586 S CB 0.560 63.866 63.200 0.177 0.000 0.967 586 S HN 0.598 nan 8.310 nan 0.000 0.495 587 A N 3.328 126.131 122.820 -0.029 0.000 2.306 587 A HA 0.892 5.226 4.320 0.023 0.000 0.330 587 A C -0.596 177.251 177.584 0.438 0.000 1.146 587 A CA -0.683 51.394 52.037 0.066 0.000 0.827 587 A CB 0.586 19.335 19.000 -0.419 0.000 1.178 587 A HN 0.844 nan 8.150 nan 0.000 0.490 588 Y N -0.878 119.741 120.300 0.531 0.000 3.175 588 Y HA 0.745 5.309 4.550 0.024 0.000 0.294 588 Y C 0.759 177.042 175.900 0.638 0.000 1.750 588 Y CA -1.244 57.183 58.100 0.545 0.000 1.054 588 Y CB -0.110 38.495 38.460 0.241 0.000 1.465 588 Y HN 0.895 nan 8.280 nan 0.000 0.535 589 G N 0.022 109.238 108.800 0.693 0.000 2.178 589 G HA2 0.347 4.321 3.960 0.023 0.000 0.244 589 G HA3 0.347 4.321 3.960 0.023 0.000 0.244 589 G C 0.976 176.200 174.900 0.540 0.000 1.213 589 G CA 0.594 46.028 45.100 0.557 0.000 0.912 589 G HN 1.962 nan 8.290 nan 0.000 0.474 590 G N 2.428 111.517 108.800 0.482 0.000 2.241 590 G HA2 -0.278 3.696 3.960 0.023 0.000 0.244 590 G HA3 -0.278 3.696 3.960 0.023 0.000 0.244 590 G C 0.882 175.972 174.900 0.316 0.000 0.998 590 G CA 0.611 45.925 45.100 0.358 0.000 0.621 590 G HN 0.647 nan 8.290 nan 0.000 0.519 591 D N -0.164 120.439 120.400 0.338 0.000 2.378 591 D HA 0.125 4.779 4.640 0.023 0.000 0.227 591 D C 1.273 177.433 176.300 -0.233 0.000 1.012 591 D CA 0.510 54.552 54.000 0.070 0.000 0.905 591 D CB -0.189 40.617 40.800 0.009 0.000 0.895 591 D HN 0.484 nan 8.370 nan 0.000 0.532 592 F N -0.681 119.396 119.950 0.212 0.000 2.654 592 F HA 0.294 4.836 4.527 0.024 0.000 0.303 592 F C 1.791 177.679 175.800 0.145 0.000 1.099 592 F CA -0.162 57.925 58.000 0.145 0.000 1.270 592 F CB 0.760 39.846 39.000 0.144 0.000 1.024 592 F HN -0.038 nan 8.300 nan 0.000 0.548 593 G N 0.563 109.511 108.800 0.245 0.000 2.159 593 G HA2 -0.267 3.707 3.960 0.023 0.000 0.256 593 G HA3 -0.267 3.707 3.960 0.023 0.000 0.256 593 G C -0.237 174.798 174.900 0.226 0.000 0.977 593 G CA 0.139 45.356 45.100 0.195 0.000 0.652 593 G HN 0.405 nan 8.290 nan 0.000 0.531 594 D N 0.409 120.991 120.400 0.304 0.000 2.390 594 D HA 0.512 5.166 4.640 0.023 0.000 0.249 594 D C 0.129 176.550 176.300 0.202 0.000 1.144 594 D CA 0.851 55.019 54.000 0.279 0.000 0.880 594 D CB 1.698 42.729 40.800 0.384 0.000 1.182 594 D HN 0.402 nan 8.370 nan 0.000 0.451 595 T N 1.015 115.658 114.554 0.149 0.000 3.047 595 T HA 0.399 4.763 4.350 0.023 0.000 0.340 595 T C -2.757 171.982 174.700 0.065 0.000 1.421 595 T CA -1.105 61.053 62.100 0.098 0.000 1.090 595 T CB 1.175 70.101 68.868 0.096 0.000 1.292 595 T HN 0.309 nan 8.240 nan 0.000 0.480 596 P HA 0.468 nan 4.420 nan 0.000 0.271 596 P C -0.946 176.344 177.300 -0.016 0.000 1.244 596 P CA -0.266 62.834 63.100 -0.000 0.000 0.793 596 P CB 0.270 31.946 31.700 -0.040 0.000 0.984 597 N N -2.006 116.676 118.700 -0.030 0.000 2.732 597 N HA 0.269 5.023 4.740 0.023 0.000 0.259 597 N C -1.057 174.384 175.510 -0.114 0.000 1.402 597 N CA -0.772 52.236 53.050 -0.069 0.000 0.829 597 N CB 0.732 39.274 38.487 0.091 0.000 1.495 597 N HN 0.085 nan 8.380 nan 0.000 0.511 598 D N -0.049 120.217 120.400 -0.223 0.000 2.643 598 D HA 0.210 4.864 4.640 0.023 0.000 0.244 598 D C 0.221 176.678 176.300 0.261 0.000 1.257 598 D CA -0.222 53.722 54.000 -0.092 0.000 0.831 598 D CB 0.104 40.722 40.800 -0.304 0.000 1.043 598 D HN 0.386 nan 8.370 nan 0.000 0.488 599 R N 1.057 121.745 120.500 0.313 0.000 3.772 599 R HA -0.258 4.096 4.340 0.023 0.000 0.480 599 R C 1.681 178.099 176.300 0.195 0.000 0.241 599 R CA 1.568 57.893 56.100 0.375 0.000 1.508 599 R CB -1.672 28.745 30.300 0.196 0.000 0.956 599 R HN 0.325 nan 8.270 nan 0.000 0.583 600 Q N 1.186 120.800 119.800 -0.311 0.000 2.488 600 Q HA -0.053 4.301 4.340 0.023 0.000 0.211 600 Q C 1.853 177.713 176.000 -0.233 0.000 0.967 600 Q CA 1.411 56.847 55.803 -0.611 0.000 0.926 600 Q CB -0.314 27.924 28.738 -0.834 0.000 0.992 600 Q HN 0.536 nan 8.270 nan 0.000 0.506 601 F N 2.502 122.380 119.950 -0.120 0.000 2.411 601 F HA -0.186 4.355 4.527 0.023 0.000 0.299 601 F C 1.907 177.667 175.800 -0.067 0.000 1.077 601 F CA 1.168 59.167 58.000 -0.001 0.000 1.439 601 F CB -0.067 38.984 39.000 0.085 0.000 1.085 601 F HN 0.437 nan 8.300 nan 0.000 0.564 602 C N -1.262 117.711 119.300 -0.546 0.000 2.626 602 C HA 0.316 4.790 4.460 0.023 0.000 0.266 602 C C 0.940 175.669 174.990 -0.435 0.000 1.317 602 C CA -0.562 57.989 59.018 -0.779 0.000 1.716 602 C CB -1.724 25.053 27.740 -1.604 0.000 1.819 602 C HN 0.223 nan 8.230 nan 0.000 0.578 603 M N 2.735 122.132 119.600 -0.338 0.000 2.060 603 M HA 0.282 4.776 4.480 0.023 0.000 0.342 603 M C -0.422 175.729 176.300 -0.248 0.000 1.031 603 M CA 0.302 55.465 55.300 -0.229 0.000 0.981 603 M CB 0.068 32.596 32.600 -0.120 0.000 1.376 603 M HN 0.381 nan 8.290 nan 0.000 0.397 604 N N 0.586 119.113 118.700 -0.289 0.000 2.241 604 N HA 0.201 4.955 4.740 0.023 0.000 0.238 604 N C 0.445 175.700 175.510 -0.424 0.000 1.244 604 N CA -0.537 52.295 53.050 -0.364 0.000 0.880 604 N CB 1.153 39.435 38.487 -0.341 0.000 1.179 604 N HN 0.619 nan 8.380 nan 0.000 0.513 605 G N -0.016 108.495 108.800 -0.481 0.000 2.528 605 G HA2 0.359 4.333 3.960 0.023 0.000 0.289 605 G HA3 0.359 4.333 3.960 0.023 0.000 0.289 605 G C 0.674 175.023 174.900 -0.919 0.000 1.192 605 G CA -0.562 44.148 45.100 -0.651 0.000 0.921 605 G HN 0.072 nan 8.290 nan 0.000 0.512 606 L N -0.380 120.333 121.223 -0.850 0.000 2.240 606 L HA 0.109 4.463 4.340 0.023 0.000 0.211 606 L C 0.987 177.235 176.870 -1.036 0.000 1.106 606 L CA 0.469 54.835 54.840 -0.791 0.000 0.793 606 L CB -0.263 41.481 42.059 -0.525 0.000 0.927 606 L HN 0.386 nan 8.230 nan 0.000 0.446 607 V N -4.794 114.410 119.914 -1.182 0.000 2.960 607 V HA 0.458 4.592 4.120 0.023 0.000 0.315 607 V C -0.159 175.534 176.094 -0.669 0.000 1.087 607 V CA -1.277 60.511 62.300 -0.853 0.000 0.982 607 V CB 1.545 32.880 31.823 -0.813 0.000 1.039 607 V HN -0.133 nan 8.190 nan 0.000 0.437 608 F N 1.403 121.290 119.950 -0.105 0.000 2.435 608 F HA 0.535 5.076 4.527 0.024 0.000 0.316 608 F C 1.967 177.700 175.800 -0.112 0.000 1.220 608 F CA 0.568 58.576 58.000 0.013 0.000 1.241 608 F CB 0.759 39.774 39.000 0.026 0.000 1.234 608 F HN 0.763 nan 8.300 nan 0.000 0.569 609 A N 0.675 123.592 122.820 0.163 0.000 1.978 609 A HA -0.222 4.112 4.320 0.023 0.000 0.220 609 A C 1.716 179.281 177.584 -0.031 0.000 1.170 609 A CA 1.897 53.970 52.037 0.060 0.000 0.636 609 A CB -0.935 18.138 19.000 0.122 0.000 0.810 609 A HN 0.800 nan 8.150 nan 0.000 0.448 610 D N -2.775 117.625 120.400 0.000 0.000 2.336 610 D HA 0.066 4.720 4.640 0.023 0.000 0.229 610 D C 0.705 176.992 176.300 -0.022 0.000 1.061 610 D CA 0.203 54.173 54.000 -0.050 0.000 0.875 610 D CB -0.093 40.676 40.800 -0.051 0.000 0.904 610 D HN 0.216 nan 8.370 nan 0.000 0.525 611 R N -1.890 118.601 120.500 -0.016 0.000 3.584 611 R HA -0.119 4.235 4.340 0.023 0.000 0.488 611 R C -0.125 176.180 176.300 0.008 0.000 0.869 611 R CA 1.114 57.198 56.100 -0.027 0.000 1.325 611 R CB -3.116 27.200 30.300 0.027 0.000 2.015 611 R HN 0.245 nan 8.270 nan 0.000 0.489 612 T N 2.893 117.493 114.554 0.077 0.000 2.916 612 T HA 0.336 4.700 4.350 0.023 0.000 0.303 612 T C -2.313 172.499 174.700 0.186 0.000 1.025 612 T CA -0.570 61.605 62.100 0.124 0.000 1.142 612 T CB 0.970 69.911 68.868 0.121 0.000 0.947 612 T HN -0.072 nan 8.240 nan 0.000 0.544 613 P HA 0.225 nan 4.420 nan 0.000 0.277 613 P C -0.150 177.208 177.300 0.096 0.000 1.240 613 P CA -0.411 62.700 63.100 0.018 0.000 0.798 613 P CB 0.488 32.193 31.700 0.009 0.000 0.979 614 H N 2.127 121.021 119.070 -0.292 0.000 2.547 614 H HA 0.115 4.685 4.556 0.024 0.000 0.362 614 H C -1.280 173.950 175.328 -0.164 0.000 1.181 614 H CA -1.859 53.987 56.048 -0.336 0.000 1.376 614 H CB 0.420 29.936 29.762 -0.409 0.000 1.488 614 H HN 0.326 nan 8.280 nan 0.000 0.583 615 P HA -0.132 nan 4.420 nan 0.000 0.222 615 P C 1.083 178.388 177.300 0.010 0.000 1.147 615 P CA 1.158 64.255 63.100 -0.005 0.000 0.790 615 P CB 0.043 31.736 31.700 -0.010 0.000 0.780 616 A N -0.481 122.346 122.820 0.011 0.000 2.070 616 A HA -0.152 4.182 4.320 0.023 0.000 0.220 616 A C 2.027 179.561 177.584 -0.083 0.000 1.159 616 A CA 0.998 53.005 52.037 -0.050 0.000 0.656 616 A CB -1.525 17.416 19.000 -0.098 0.000 0.800 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N -0.494 120.696 121.223 -0.055 0.000 2.127 617 L HA -0.117 4.237 4.340 0.023 0.000 0.211 617 L C 2.491 179.396 176.870 0.059 0.000 1.089 617 L CA 2.589 57.425 54.840 -0.007 0.000 0.757 617 L CB -0.776 41.281 42.059 -0.003 0.000 0.899 617 L HN 0.388 nan 8.230 nan 0.000 0.434 618 T N -1.973 112.622 114.554 0.069 0.000 2.951 618 T HA -0.151 4.213 4.350 0.023 0.000 0.268 618 T C 1.779 176.585 174.700 0.175 0.000 1.073 618 T CA 1.227 63.422 62.100 0.158 0.000 1.134 618 T CB -0.094 68.853 68.868 0.132 0.000 0.884 618 T HN 0.461 nan 8.240 nan 0.000 0.479 619 E N 0.824 121.071 120.200 0.078 0.000 2.106 619 E HA 0.108 4.472 4.350 0.023 0.000 0.192 619 E C 2.150 178.759 176.600 0.014 0.000 0.984 619 E CA 1.260 57.714 56.400 0.090 0.000 0.806 619 E CB -0.580 29.140 29.700 0.033 0.000 0.750 619 E HN 0.552 nan 8.360 nan 0.000 0.458 620 A N 1.013 123.731 122.820 -0.169 0.000 1.873 620 A HA -0.207 4.127 4.320 0.023 0.000 0.215 620 A C 2.162 179.628 177.584 -0.196 0.000 1.186 620 A CA 1.855 53.715 52.037 -0.296 0.000 0.616 620 A CB -0.613 18.198 19.000 -0.314 0.000 0.823 620 A HN 0.262 nan 8.150 nan 0.000 0.442 621 K N -1.227 119.139 120.400 -0.056 0.000 2.032 621 K HA -0.294 4.040 4.320 0.023 0.000 0.209 621 K C 2.076 178.593 176.600 -0.139 0.000 1.048 621 K CA 2.055 58.327 56.287 -0.024 0.000 0.927 621 K CB -0.341 32.300 32.500 0.235 0.000 0.712 621 K HN 0.634 nan 8.250 nan 0.000 0.441 622 H N 0.313 119.219 119.070 -0.274 0.000 2.357 622 H HA -0.001 4.569 4.556 0.024 0.000 0.301 622 H C 1.880 176.940 175.328 -0.446 0.000 1.082 622 H CA 1.672 57.358 56.048 -0.603 0.000 1.342 622 H CB 0.087 29.552 29.762 -0.495 0.000 1.389 622 H HN 0.236 nan 8.280 nan 0.000 0.511 623 Q N 0.213 119.775 119.800 -0.396 0.000 2.291 623 Q HA -0.065 4.289 4.340 0.023 0.000 0.205 623 Q C 1.327 176.797 176.000 -0.883 0.000 0.970 623 Q CA 1.032 56.512 55.803 -0.539 0.000 0.876 623 Q CB 0.107 28.688 28.738 -0.262 0.000 0.935 623 Q HN 0.702 nan 8.270 nan 0.000 0.455 624 Q N 0.086 119.331 119.800 -0.926 0.000 2.247 624 Q HA 0.100 4.454 4.340 0.023 0.000 0.205 624 Q C -0.162 175.280 176.000 -0.930 0.000 0.896 624 Q CA -0.224 54.869 55.803 -1.184 0.000 0.950 624 Q CB 0.396 28.476 28.738 -1.097 0.000 1.054 624 Q HN 0.342 nan 8.270 nan 0.000 0.482 625 Q N -0.469 118.937 119.800 -0.656 0.000 2.386 625 Q HA -0.023 4.331 4.340 0.023 0.000 0.282 625 Q C -0.150 175.488 176.000 -0.603 0.000 1.050 625 Q CA 0.402 55.954 55.803 -0.419 0.000 0.918 625 Q CB 0.497 29.077 28.738 -0.264 0.000 1.266 625 Q HN 0.310 nan 8.270 nan 0.000 0.423 626 F N 0.635 120.331 119.950 -0.423 0.000 2.727 626 F HA 0.216 4.757 4.527 0.023 0.000 0.302 626 F C -0.189 175.005 175.800 -1.010 0.000 1.097 626 F CA -0.016 57.494 58.000 -0.817 0.000 1.330 626 F CB 0.536 38.742 39.000 -1.325 0.000 1.084 626 F HN 0.313 nan 8.300 nan 0.000 0.578 627 F N 0.505 120.386 119.950 -0.114 0.000 2.507 627 F HA 0.458 5.000 4.527 0.024 0.000 0.325 627 F C -0.043 175.435 175.800 -0.536 0.000 1.116 627 F CA -1.075 56.760 58.000 -0.275 0.000 0.930 627 F CB 1.273 40.145 39.000 -0.212 0.000 1.146 627 F HN -0.303 nan 8.300 nan 0.000 0.447 628 Q N 3.130 122.678 119.800 -0.421 0.000 2.301 628 Q HA 0.607 4.961 4.340 0.023 0.000 0.267 628 Q C -1.315 174.337 176.000 -0.579 0.000 1.035 628 Q CA -0.661 54.903 55.803 -0.399 0.000 0.856 628 Q CB 2.938 31.581 28.738 -0.158 0.000 1.337 628 Q HN 0.577 nan 8.270 nan 0.000 0.450 629 F N -0.099 119.983 119.950 0.220 0.000 2.599 629 F HA 0.598 5.140 4.527 0.024 0.000 0.311 629 F C 0.152 176.187 175.800 0.392 0.000 1.076 629 F CA -0.897 57.302 58.000 0.332 0.000 0.937 629 F CB 2.205 41.533 39.000 0.547 0.000 1.282 629 F HN 0.163 nan 8.300 nan 0.000 0.460 630 R N 1.434 122.240 120.500 0.512 0.000 2.698 630 R HA 0.712 5.066 4.340 0.023 0.000 0.275 630 R C -2.048 174.280 176.300 0.047 0.000 1.001 630 R CA -1.159 55.142 56.100 0.335 0.000 0.896 630 R CB 3.003 33.404 30.300 0.170 0.000 1.218 630 R HN 0.560 nan 8.270 nan 0.000 0.462 631 L N 0.639 121.767 121.223 -0.159 0.000 2.365 631 L HA 0.638 4.992 4.340 0.023 0.000 0.273 631 L C -1.079 175.619 176.870 -0.286 0.000 1.000 631 L CA 0.014 54.550 54.840 -0.507 0.000 0.819 631 L CB 2.236 43.494 42.059 -1.334 0.000 1.284 631 L HN 0.589 nan 8.230 nan 0.000 0.418 632 S N 3.766 119.324 115.700 -0.238 0.000 2.737 632 S HA 0.669 5.153 4.470 0.023 0.000 0.269 632 S C 0.172 174.679 174.600 -0.155 0.000 1.150 632 S CA 0.275 58.382 58.200 -0.155 0.000 1.077 632 S CB 0.186 63.333 63.200 -0.089 0.000 1.075 632 S HN 1.741 nan 8.310 nan 0.000 0.476 633 G N 4.524 113.230 108.800 -0.157 0.000 2.574 633 G HA2 -0.320 3.654 3.960 0.023 0.000 0.301 633 G HA3 -0.320 3.654 3.960 0.023 0.000 0.301 633 G C 0.416 175.206 174.900 -0.182 0.000 1.166 633 G CA 0.801 45.815 45.100 -0.144 0.000 0.971 633 G HN 0.737 nan 8.290 nan 0.000 0.542 634 Q N 1.654 121.353 119.800 -0.168 0.000 2.247 634 Q HA 0.359 4.713 4.340 0.023 0.000 0.204 634 Q C 0.552 176.418 176.000 -0.225 0.000 0.872 634 Q CA 0.961 56.641 55.803 -0.205 0.000 0.951 634 Q CB 0.263 28.903 28.738 -0.164 0.000 1.099 634 Q HN 0.629 nan 8.270 nan 0.000 0.501 635 T N 0.162 114.596 114.554 -0.200 0.000 2.749 635 T HA 0.539 4.903 4.350 0.023 0.000 0.287 635 T C 0.032 174.610 174.700 -0.205 0.000 0.970 635 T CA -0.401 61.594 62.100 -0.174 0.000 0.980 635 T CB 1.033 69.833 68.868 -0.113 0.000 0.924 635 T HN 0.039 nan 8.240 nan 0.000 0.456 636 I N 2.780 123.247 120.570 -0.173 0.000 2.336 636 I HA 0.325 4.509 4.170 0.023 0.000 0.292 636 I C 0.461 176.587 176.117 0.015 0.000 0.991 636 I CA -0.538 60.692 61.300 -0.117 0.000 1.227 636 I CB 1.337 39.291 38.000 -0.077 0.000 1.366 636 I HN 0.602 nan 8.210 nan 0.000 0.466 637 E N 6.776 127.022 120.200 0.078 0.000 2.155 637 E HA 0.456 4.820 4.350 0.023 0.000 0.264 637 E C -1.682 175.020 176.600 0.170 0.000 0.886 637 E CA -0.591 55.869 56.400 0.100 0.000 0.752 637 E CB 1.788 31.525 29.700 0.062 0.000 1.133 637 E HN 0.341 nan 8.360 nan 0.000 0.414 638 V N 3.991 123.989 119.914 0.139 0.000 2.398 638 V HA 0.356 4.490 4.120 0.023 0.000 0.286 638 V C -0.036 176.086 176.094 0.046 0.000 1.026 638 V CA -0.518 61.824 62.300 0.070 0.000 0.868 638 V CB 1.750 33.652 31.823 0.131 0.000 0.982 638 V HN 0.702 nan 8.190 nan 0.000 0.443 639 T N 3.173 117.717 114.554 -0.017 0.000 2.807 639 T HA 0.342 4.706 4.350 0.023 0.000 0.279 639 T C -0.090 174.630 174.700 0.033 0.000 0.993 639 T CA -0.266 61.841 62.100 0.013 0.000 0.970 639 T CB 1.604 70.452 68.868 -0.034 0.000 0.950 639 T HN 0.662 nan 8.240 nan 0.000 0.441 640 S N 1.670 117.402 115.700 0.054 0.000 2.513 640 S HA 0.200 4.684 4.470 0.023 0.000 0.276 640 S C 0.776 175.258 174.600 -0.197 0.000 1.254 640 S CA -0.547 57.618 58.200 -0.059 0.000 1.053 640 S CB 0.470 63.711 63.200 0.067 0.000 0.958 640 S HN 0.708 nan 8.310 nan 0.000 0.491 641 E N 3.174 123.137 120.200 -0.395 0.000 2.465 641 E HA 0.090 4.454 4.350 0.023 0.000 0.195 641 E C -0.762 175.650 176.600 -0.313 0.000 1.028 641 E CA -0.093 56.115 56.400 -0.320 0.000 0.899 641 E CB 0.292 29.791 29.700 -0.335 0.000 1.032 641 E HN 0.679 nan 8.360 nan 0.000 0.468 642 Y N 0.342 120.533 120.300 -0.182 0.000 2.336 642 Y HA 0.036 4.600 4.550 0.023 0.000 0.331 642 Y C 1.422 177.159 175.900 -0.272 0.000 1.211 642 Y CA -0.061 57.925 58.100 -0.191 0.000 1.346 642 Y CB 0.863 39.194 38.460 -0.214 0.000 1.271 642 Y HN -0.026 nan 8.280 nan 0.000 0.538 643 L N 1.224 122.292 121.223 -0.258 0.000 2.515 643 L HA 0.074 4.428 4.340 0.023 0.000 0.223 643 L C 0.588 177.044 176.870 -0.691 0.000 1.079 643 L CA 0.582 55.025 54.840 -0.661 0.000 0.857 643 L CB 0.088 41.371 42.059 -1.293 0.000 1.050 643 L HN 0.669 nan 8.230 nan 0.000 0.476 644 F N -0.551 119.409 119.950 0.016 0.000 2.699 644 F HA 0.206 4.746 4.527 0.022 0.000 0.295 644 F C 1.275 177.057 175.800 -0.029 0.000 1.052 644 F CA -0.778 57.209 58.000 -0.023 0.000 1.239 644 F CB 0.350 39.319 39.000 -0.051 0.000 1.018 644 F HN -0.145 nan 8.300 nan 0.000 0.627 645 R N 0.301 120.848 120.500 0.077 0.000 2.643 645 R HA 0.394 4.748 4.340 0.023 0.000 0.272 645 R C -0.584 175.700 176.300 -0.027 0.000 0.995 645 R CA -0.628 55.472 56.100 0.000 0.000 1.032 645 R CB 0.734 30.932 30.300 -0.169 0.000 1.126 645 R HN 0.082 nan 8.270 nan 0.000 0.505 646 H N 0.403 119.473 119.070 -0.000 0.000 2.547 646 H HA 0.049 4.619 4.556 0.023 0.000 0.362 646 H C 0.188 175.547 175.328 0.052 0.000 1.181 646 H CA 0.277 56.355 56.048 0.050 0.000 1.376 646 H CB 1.622 31.413 29.762 0.048 0.000 1.488 646 H HN 0.765 nan 8.280 nan 0.000 0.583 647 S N 1.016 116.854 115.700 0.231 0.000 4.085 647 S HA -0.065 4.419 4.470 0.023 0.000 0.189 647 S C 0.482 175.181 174.600 0.165 0.000 1.392 647 S CA -0.561 57.785 58.200 0.243 0.000 0.972 647 S CB -0.757 62.612 63.200 0.281 0.000 1.482 647 S HN 0.586 nan 8.310 nan 0.000 0.446 648 D N 0.816 121.293 120.400 0.130 0.000 2.324 648 D HA -0.006 4.648 4.640 0.023 0.000 0.235 648 D C 0.391 176.731 176.300 0.067 0.000 1.095 648 D CA -0.101 53.953 54.000 0.089 0.000 0.871 648 D CB -0.368 40.472 40.800 0.066 0.000 0.906 648 D HN 0.539 nan 8.370 nan 0.000 0.522 649 N N -0.133 118.616 118.700 0.083 0.000 2.622 649 N HA 0.142 4.896 4.740 0.023 0.000 0.293 649 N C -1.576 173.994 175.510 0.101 0.000 1.788 649 N CA -0.257 52.837 53.050 0.073 0.000 0.860 649 N CB 0.351 38.872 38.487 0.055 0.000 1.388 649 N HN -0.073 nan 8.380 nan 0.000 0.496 650 E N 0.108 120.361 120.200 0.088 0.000 2.352 650 E HA 0.495 4.859 4.350 0.023 0.000 0.280 650 E C -1.326 175.303 176.600 0.049 0.000 0.930 650 E CA -0.719 55.727 56.400 0.076 0.000 0.765 650 E CB 2.234 31.952 29.700 0.030 0.000 1.219 650 E HN 0.303 nan 8.360 nan 0.000 0.434 651 L N 0.716 121.976 121.223 0.061 0.000 2.393 651 L HA 0.721 5.075 4.340 0.023 0.000 0.260 651 L C -1.605 175.327 176.870 0.104 0.000 1.002 651 L CA -1.234 53.651 54.840 0.074 0.000 0.818 651 L CB 1.529 43.635 42.059 0.078 0.000 1.369 651 L HN 0.582 nan 8.230 nan 0.000 0.412 652 L N 2.961 124.263 121.223 0.132 0.000 2.272 652 L HA 0.473 4.827 4.340 0.023 0.000 0.289 652 L C -0.496 176.512 176.870 0.230 0.000 1.032 652 L CA 0.010 54.961 54.840 0.185 0.000 0.810 652 L CB 0.814 42.994 42.059 0.201 0.000 1.205 652 L HN 0.704 nan 8.230 nan 0.000 0.422 653 H N 5.985 125.127 119.070 0.121 0.000 2.472 653 H HA 0.379 4.949 4.556 0.023 0.000 0.338 653 H C -1.693 173.715 175.328 0.133 0.000 1.133 653 H CA -0.674 55.403 56.048 0.049 0.000 1.216 653 H CB 1.118 30.869 29.762 -0.018 0.000 1.497 653 H HN 0.765 nan 8.280 nan 0.000 0.500 654 W N 5.204 126.107 121.300 -0.661 0.000 2.936 654 W HA 0.509 5.183 4.660 0.023 0.000 0.338 654 W C -1.923 174.305 176.519 -0.485 0.000 1.121 654 W CA -1.390 55.715 57.345 -0.400 0.000 1.209 654 W CB 1.281 30.647 29.460 -0.157 0.000 1.420 654 W HN 0.576 nan 8.180 nan 0.000 0.516 655 M N 3.247 122.877 119.600 0.051 0.000 2.378 655 M HA 0.630 5.124 4.480 0.023 0.000 0.289 655 M C -2.594 173.872 176.300 0.276 0.000 1.136 655 M CA -0.509 54.809 55.300 0.030 0.000 0.917 655 M CB 2.131 34.705 32.600 -0.044 0.000 1.669 655 M HN 0.142 nan 8.290 nan 0.000 0.461 656 V N 3.966 124.055 119.914 0.292 0.000 2.384 656 V HA 0.987 5.121 4.120 0.023 0.000 0.287 656 V C -0.306 175.895 176.094 0.180 0.000 1.020 656 V CA -0.076 62.385 62.300 0.267 0.000 0.850 656 V CB 1.104 33.090 31.823 0.272 0.000 0.987 656 V HN 1.088 nan 8.190 nan 0.000 0.436 657 A N 4.879 127.812 122.820 0.190 0.000 2.475 657 A HA 0.882 5.216 4.320 0.023 0.000 0.301 657 A C -1.381 176.315 177.584 0.187 0.000 1.059 657 A CA -0.648 51.473 52.037 0.141 0.000 0.710 657 A CB 1.717 20.769 19.000 0.085 0.000 1.288 657 A HN 0.828 nan 8.150 nan 0.000 0.408 658 L N 1.401 122.706 121.223 0.137 0.000 2.265 658 L HA 0.528 4.882 4.340 0.023 0.000 0.289 658 L C -0.529 176.440 176.870 0.165 0.000 1.033 658 L CA 0.276 55.209 54.840 0.156 0.000 0.814 658 L CB 0.310 42.428 42.059 0.099 0.000 1.203 658 L HN 0.756 nan 8.230 nan 0.000 0.423 659 D N 4.823 125.387 120.400 0.273 0.000 2.692 659 D HA -0.212 4.442 4.640 0.023 0.000 0.233 659 D C 1.176 177.523 176.300 0.078 0.000 1.172 659 D CA 1.507 55.663 54.000 0.260 0.000 0.636 659 D CB -1.055 39.857 40.800 0.187 0.000 1.028 659 D HN 1.185 nan 8.370 nan 0.000 0.419 660 G N -0.794 108.014 108.800 0.014 0.000 2.268 660 G HA2 -0.363 3.611 3.960 0.023 0.000 0.240 660 G HA3 -0.363 3.611 3.960 0.023 0.000 0.240 660 G C 0.246 175.077 174.900 -0.114 0.000 1.010 660 G CA 0.409 45.411 45.100 -0.163 0.000 0.618 660 G HN 0.493 nan 8.290 nan 0.000 0.516 661 K N 2.128 122.508 120.400 -0.034 0.000 2.285 661 K HA 0.468 4.802 4.320 0.023 0.000 0.286 661 K C -2.685 173.914 176.600 -0.002 0.000 1.072 661 K CA -1.807 54.464 56.287 -0.026 0.000 0.913 661 K CB 1.417 33.915 32.500 -0.002 0.000 1.067 661 K HN 0.091 nan 8.250 nan 0.000 0.479 662 P HA -0.054 nan 4.420 nan 0.000 0.264 662 P C 0.041 177.352 177.300 0.018 0.000 1.193 662 P CA -0.016 63.081 63.100 -0.004 0.000 0.763 662 P CB 0.663 32.345 31.700 -0.029 0.000 0.810 663 L N 2.022 123.272 121.223 0.045 0.000 2.515 663 L HA 0.494 4.848 4.340 0.023 0.000 0.202 663 L C 0.605 177.512 176.870 0.062 0.000 1.056 663 L CA 0.795 55.670 54.840 0.057 0.000 0.847 663 L CB 0.145 42.255 42.059 0.085 0.000 1.131 663 L HN 0.419 nan 8.230 nan 0.000 0.484 664 A N -1.001 121.868 122.820 0.082 0.000 2.601 664 A HA 0.615 4.949 4.320 0.023 0.000 0.291 664 A C -0.901 176.638 177.584 -0.076 0.000 1.075 664 A CA 0.294 52.374 52.037 0.071 0.000 0.671 664 A CB 1.535 20.681 19.000 0.245 0.000 1.277 664 A HN 0.226 nan 8.150 nan 0.000 0.417 665 S N -0.966 114.437 115.700 -0.495 0.000 2.656 665 S HA 0.954 5.439 4.470 0.023 0.000 0.265 665 S C -0.177 173.446 174.600 -1.628 0.000 1.132 665 S CA 0.220 57.582 58.200 -1.397 0.000 0.819 665 S CB 0.725 63.537 63.200 -0.647 0.000 1.119 665 S HN 2.770 nan 8.310 nan 0.000 0.476 666 G N -0.208 107.412 108.800 -1.967 0.000 2.341 666 G HA2 0.595 4.569 3.960 0.023 0.000 0.299 666 G HA3 0.595 4.569 3.960 0.023 0.000 0.299 666 G C -2.442 172.056 174.900 -0.669 0.000 1.274 666 G CA -0.388 44.162 45.100 -0.917 0.000 0.853 666 G HN 1.153 nan 8.290 nan 0.000 0.493 667 E N -1.448 118.700 120.200 -0.087 0.000 2.372 667 E HA 0.643 5.007 4.350 0.023 0.000 0.279 667 E C -1.710 174.994 176.600 0.173 0.000 0.946 667 E CA -0.997 55.462 56.400 0.099 0.000 0.769 667 E CB 2.765 32.538 29.700 0.122 0.000 1.230 667 E HN 0.484 nan 8.360 nan 0.000 0.442 668 V N 1.499 121.526 119.914 0.189 0.000 2.925 668 V HA 0.459 4.593 4.120 0.023 0.000 0.311 668 V C -2.481 173.683 176.094 0.117 0.000 1.104 668 V CA -2.033 60.358 62.300 0.152 0.000 0.954 668 V CB 2.220 34.139 31.823 0.160 0.000 1.022 668 V HN 0.616 nan 8.190 nan 0.000 0.427 669 P HA 0.370 nan 4.420 nan 0.000 0.278 669 P C -0.923 176.422 177.300 0.074 0.000 1.238 669 P CA -0.241 62.904 63.100 0.076 0.000 0.794 669 P CB 0.655 32.394 31.700 0.065 0.000 0.955 670 L N 3.019 124.278 121.223 0.060 0.000 2.289 670 L HA 0.375 4.729 4.340 0.023 0.000 0.285 670 L C 0.135 177.051 176.870 0.077 0.000 1.049 670 L CA -0.047 54.820 54.840 0.045 0.000 0.804 670 L CB 1.133 43.172 42.059 -0.034 0.000 1.195 670 L HN 0.376 nan 8.230 nan 0.000 0.428 671 D N 3.492 123.951 120.400 0.100 0.000 2.429 671 D HA 0.321 4.975 4.640 0.023 0.000 0.255 671 D C -1.325 175.084 176.300 0.181 0.000 1.257 671 D CA -0.208 53.879 54.000 0.144 0.000 0.890 671 D CB 0.951 41.821 40.800 0.117 0.000 1.267 671 D HN 0.049 nan 8.370 nan 0.000 0.521 672 V N 1.319 121.350 119.914 0.195 0.000 2.495 672 V HA 0.869 5.003 4.120 0.023 0.000 0.298 672 V C 0.882 176.960 176.094 -0.028 0.000 1.031 672 V CA -1.185 61.205 62.300 0.150 0.000 0.871 672 V CB 1.181 33.133 31.823 0.216 0.000 0.988 672 V HN 0.588 nan 8.190 nan 0.000 0.432 673 A N 6.565 129.238 122.820 -0.244 0.000 2.332 673 A HA 0.702 5.036 4.320 0.023 0.000 0.258 673 A C -2.268 175.088 177.584 -0.381 0.000 1.087 673 A CA -1.460 50.023 52.037 -0.922 0.000 0.802 673 A CB -0.178 18.629 19.000 -0.321 0.000 1.042 673 A HN 0.692 nan 8.150 nan 0.000 0.489 674 P HA -0.006 nan 4.420 nan 0.000 0.262 674 P C -0.326 176.912 177.300 -0.103 0.000 1.182 674 P CA 0.655 63.678 63.100 -0.129 0.000 0.761 674 P CB 0.502 32.136 31.700 -0.109 0.000 0.795 675 Q N -1.207 118.543 119.800 -0.083 0.000 2.305 675 Q HA -0.170 4.184 4.340 0.023 0.000 0.203 675 Q C 0.807 176.781 176.000 -0.043 0.000 0.663 675 Q CA 1.924 57.682 55.803 -0.074 0.000 1.389 675 Q CB -2.517 26.177 28.738 -0.075 0.000 1.566 675 Q HN 0.767 nan 8.270 nan 0.000 0.755 676 G N 0.211 108.992 108.800 -0.031 0.000 2.557 676 G HA2 0.520 4.494 3.960 0.023 0.000 0.292 676 G HA3 0.520 4.494 3.960 0.023 0.000 0.292 676 G C -0.254 174.662 174.900 0.027 0.000 1.237 676 G CA -0.462 44.637 45.100 -0.001 0.000 0.978 676 G HN -0.010 nan 8.290 nan 0.000 0.498 677 K N -0.718 119.704 120.400 0.038 0.000 2.385 677 K HA 0.451 4.785 4.320 0.023 0.000 0.248 677 K C -0.936 175.701 176.600 0.062 0.000 0.955 677 K CA -0.596 55.720 56.287 0.049 0.000 0.816 677 K CB 2.474 34.995 32.500 0.034 0.000 1.250 677 K HN 0.539 nan 8.250 nan 0.000 0.434 678 Q N 3.108 122.950 119.800 0.071 0.000 2.285 678 Q HA 0.377 4.731 4.340 0.023 0.000 0.269 678 Q C -1.623 174.415 176.000 0.063 0.000 1.030 678 Q CA -0.637 55.209 55.803 0.071 0.000 0.788 678 Q CB 1.312 30.101 28.738 0.085 0.000 1.266 678 Q HN 0.523 nan 8.270 nan 0.000 0.438 679 L N 5.091 126.340 121.223 0.043 0.000 2.295 679 L HA 0.562 4.916 4.340 0.023 0.000 0.285 679 L C -0.471 176.410 176.870 0.017 0.000 1.035 679 L CA -0.740 54.115 54.840 0.025 0.000 0.806 679 L CB 1.287 43.349 42.059 0.006 0.000 1.214 679 L HN 0.621 nan 8.230 nan 0.000 0.426 680 I N 2.471 123.041 120.570 0.001 0.000 2.436 680 I HA 0.245 4.429 4.170 0.023 0.000 0.289 680 I C -0.330 175.736 176.117 -0.086 0.000 1.010 680 I CA -0.517 60.771 61.300 -0.019 0.000 1.098 680 I CB 2.197 40.200 38.000 0.004 0.000 1.266 680 I HN 0.496 nan 8.210 nan 0.000 0.434 681 E N 5.975 126.124 120.200 -0.085 0.000 2.174 681 E HA 0.483 4.847 4.350 0.023 0.000 0.282 681 E C -0.941 175.543 176.600 -0.194 0.000 0.992 681 E CA -0.327 55.996 56.400 -0.128 0.000 0.803 681 E CB 1.097 30.746 29.700 -0.085 0.000 1.090 681 E HN 0.385 nan 8.360 nan 0.000 0.396 682 L N 5.788 126.835 121.223 -0.294 0.000 2.418 682 L HA 0.411 4.765 4.340 0.023 0.000 0.265 682 L C -1.816 174.887 176.870 -0.278 0.000 1.143 682 L CA -1.969 52.600 54.840 -0.450 0.000 0.809 682 L CB 0.616 42.279 42.059 -0.660 0.000 1.124 682 L HN 0.448 nan 8.230 nan 0.000 0.456 683 P HA 0.022 nan 4.420 nan 0.000 0.272 683 P C -0.668 176.574 177.300 -0.097 0.000 1.240 683 P CA -0.497 62.548 63.100 -0.091 0.000 0.791 683 P CB 0.417 32.127 31.700 0.016 0.000 0.978 684 E N 0.899 121.070 120.200 -0.049 0.000 2.415 684 E HA 0.030 4.394 4.350 0.023 0.000 0.263 684 E C -0.678 175.907 176.600 -0.024 0.000 0.995 684 E CA 0.006 56.380 56.400 -0.043 0.000 0.915 684 E CB 0.097 29.782 29.700 -0.024 0.000 0.951 684 E HN 0.347 nan 8.360 nan 0.000 0.449 685 L N 7.940 129.143 121.223 -0.034 0.000 2.270 685 L HA 0.275 4.629 4.340 0.023 0.000 0.286 685 L C -1.806 175.071 176.870 0.011 0.000 1.059 685 L CA -2.078 52.760 54.840 -0.003 0.000 0.839 685 L CB 0.935 42.978 42.059 -0.026 0.000 1.221 685 L HN 0.465 nan 8.230 nan 0.000 0.431 686 P HA -0.094 nan 4.420 nan 0.000 0.263 686 P C -0.475 176.838 177.300 0.022 0.000 1.168 686 P CA 0.016 63.130 63.100 0.024 0.000 0.759 686 P CB 0.672 32.393 31.700 0.035 0.000 0.782 687 Q N 3.569 123.377 119.800 0.014 0.000 2.535 687 Q HA 0.297 4.651 4.340 0.023 0.000 0.228 687 Q C -1.753 174.259 176.000 0.020 0.000 1.062 687 Q CA -0.581 55.230 55.803 0.013 0.000 0.967 687 Q CB -0.325 28.417 28.738 0.006 0.000 1.273 687 Q HN 0.461 nan 8.270 nan 0.000 0.554 688 P HA 0.259 nan 4.420 nan 0.000 0.296 688 P C -1.325 175.988 177.300 0.022 0.000 1.310 688 P CA -0.582 62.534 63.100 0.027 0.000 0.900 688 P CB 1.366 33.086 31.700 0.032 0.000 1.111 689 E N 1.387 121.601 120.200 0.023 0.000 2.070 689 E HA 0.516 4.880 4.350 0.023 0.000 0.261 689 E C -0.762 175.852 176.600 0.023 0.000 0.926 689 E CA -0.369 56.043 56.400 0.020 0.000 0.760 689 E CB 0.779 30.489 29.700 0.018 0.000 1.133 689 E HN 0.395 nan 8.360 nan 0.000 0.420 690 S N 0.158 115.873 115.700 0.025 0.000 2.963 690 S HA 0.169 4.653 4.470 0.023 0.000 0.249 690 S C -0.576 174.044 174.600 0.033 0.000 0.669 690 S CA -0.586 57.631 58.200 0.029 0.000 0.892 690 S CB 0.280 63.500 63.200 0.034 0.000 1.119 690 S HN 0.636 nan 8.310 nan 0.000 0.578 691 A N 1.132 123.973 122.820 0.035 0.000 2.366 691 A HA 0.882 5.216 4.320 0.023 0.000 0.250 691 A C 1.085 178.699 177.584 0.050 0.000 1.099 691 A CA 0.773 52.833 52.037 0.037 0.000 0.794 691 A CB -0.302 18.721 19.000 0.039 0.000 1.056 691 A HN 2.506 nan 8.150 nan 0.000 0.499 692 G N -1.159 107.672 108.800 0.052 0.000 2.353 692 G HA2 0.437 4.411 3.960 0.023 0.000 0.424 692 G HA3 0.437 4.411 3.960 0.023 0.000 0.424 692 G C -1.040 173.895 174.900 0.058 0.000 1.320 692 G CA -0.072 45.073 45.100 0.076 0.000 0.995 692 G HN 1.266 nan 8.290 nan 0.000 0.580 693 Q N -0.308 119.546 119.800 0.090 0.000 2.307 693 Q HA 0.736 5.090 4.340 0.023 0.000 0.262 693 Q C -0.385 175.667 176.000 0.087 0.000 0.961 693 Q CA -0.602 55.215 55.803 0.023 0.000 0.882 693 Q CB 1.267 29.986 28.738 -0.031 0.000 1.264 693 Q HN 0.609 nan 8.270 nan 0.000 0.446 694 L N 4.123 125.337 121.223 -0.014 0.000 2.326 694 L HA 0.513 4.867 4.340 0.023 0.000 0.278 694 L C -0.815 176.030 176.870 -0.043 0.000 1.092 694 L CA -0.424 54.453 54.840 0.062 0.000 0.810 694 L CB 0.778 42.855 42.059 0.030 0.000 1.153 694 L HN 0.680 nan 8.230 nan 0.000 0.439 695 W N 4.011 125.351 121.300 0.067 0.000 2.739 695 W HA 0.497 5.171 4.660 0.023 0.000 0.331 695 W C -0.871 175.735 176.519 0.145 0.000 1.049 695 W CA -0.513 56.892 57.345 0.100 0.000 1.234 695 W CB 1.716 31.252 29.460 0.126 0.000 1.404 695 W HN 0.115 nan 8.180 nan 0.000 0.477 696 L N 3.698 125.177 121.223 0.426 0.000 2.282 696 L HA 0.736 5.090 4.340 0.023 0.000 0.288 696 L C -0.262 176.894 176.870 0.476 0.000 1.033 696 L CA 0.250 55.330 54.840 0.400 0.000 0.807 696 L CB 1.047 43.297 42.059 0.319 0.000 1.209 696 L HN 0.321 nan 8.230 nan 0.000 0.423 697 T N 5.124 119.899 114.554 0.369 0.000 2.829 697 T HA 0.680 5.044 4.350 0.023 0.000 0.280 697 T C -0.590 174.272 174.700 0.270 0.000 0.999 697 T CA -0.431 61.849 62.100 0.300 0.000 0.983 697 T CB 1.589 70.583 68.868 0.210 0.000 0.968 697 T HN 0.617 nan 8.240 nan 0.000 0.446 698 V N 1.397 121.446 119.914 0.225 0.000 2.864 698 V HA 0.955 5.089 4.120 0.023 0.000 0.314 698 V C -0.775 175.400 176.094 0.136 0.000 1.073 698 V CA -1.341 61.052 62.300 0.155 0.000 0.956 698 V CB 1.963 33.821 31.823 0.058 0.000 1.023 698 V HN 1.055 nan 8.190 nan 0.000 0.435 699 R N 1.691 122.302 120.500 0.185 0.000 2.668 699 R HA 0.839 5.193 4.340 0.023 0.000 0.272 699 R C -2.161 174.291 176.300 0.254 0.000 1.019 699 R CA -0.842 55.413 56.100 0.260 0.000 0.894 699 R CB 2.164 32.622 30.300 0.264 0.000 1.228 699 R HN 0.537 nan 8.270 nan 0.000 0.460 700 V N 2.555 122.652 119.914 0.305 0.000 2.370 700 V HA 0.393 4.527 4.120 0.023 0.000 0.279 700 V C -0.338 175.888 176.094 0.220 0.000 1.029 700 V CA -0.618 61.831 62.300 0.249 0.000 0.870 700 V CB 1.500 33.487 31.823 0.274 0.000 0.984 700 V HN 0.541 nan 8.190 nan 0.000 0.451 701 V N 5.214 125.223 119.914 0.159 0.000 2.555 701 V HA 0.430 4.564 4.120 0.023 0.000 0.302 701 V C -0.296 175.872 176.094 0.124 0.000 1.038 701 V CA -0.786 61.588 62.300 0.123 0.000 0.887 701 V CB 2.016 33.883 31.823 0.073 0.000 0.991 701 V HN 0.901 nan 8.190 nan 0.000 0.434 702 Q N 5.360 125.243 119.800 0.139 0.000 2.360 702 Q HA 0.299 4.653 4.340 0.023 0.000 0.254 702 Q C -1.896 174.137 176.000 0.055 0.000 0.975 702 Q CA -1.778 54.093 55.803 0.114 0.000 0.912 702 Q CB 1.906 30.723 28.738 0.132 0.000 1.212 702 Q HN 0.450 nan 8.270 nan 0.000 0.452 703 P HA -0.119 nan 4.420 nan 0.000 0.222 703 P C -0.562 176.736 177.300 -0.004 0.000 1.153 703 P CA 0.961 64.071 63.100 0.016 0.000 0.798 703 P CB 0.435 32.145 31.700 0.017 0.000 0.796 704 N N -0.675 118.017 118.700 -0.013 0.000 2.417 704 N HA 0.477 5.231 4.740 0.023 0.000 0.300 704 N C -0.440 175.020 175.510 -0.083 0.000 1.102 704 N CA -0.725 52.303 53.050 -0.037 0.000 0.886 704 N CB 1.156 39.625 38.487 -0.030 0.000 1.203 704 N HN -0.102 nan 8.380 nan 0.000 0.496 705 A N 0.596 123.360 122.820 -0.094 0.000 2.406 705 A HA 0.491 4.825 4.320 0.023 0.000 0.243 705 A C 0.530 177.992 177.584 -0.204 0.000 1.082 705 A CA 0.015 51.961 52.037 -0.152 0.000 0.786 705 A CB -0.024 18.912 19.000 -0.106 0.000 1.029 705 A HN 0.713 nan 8.150 nan 0.000 0.495 706 T N -2.981 111.369 114.554 -0.340 0.000 2.693 706 T HA 0.627 4.991 4.350 0.023 0.000 0.278 706 T C 1.005 175.554 174.700 -0.252 0.000 0.994 706 T CA 0.055 61.955 62.100 -0.333 0.000 1.033 706 T CB 1.001 69.473 68.868 -0.661 0.000 1.342 706 T HN 1.348 nan 8.240 nan 0.000 0.538 707 A N -0.174 122.595 122.820 -0.086 0.000 2.121 707 A HA 0.102 4.436 4.320 0.023 0.000 0.218 707 A C 1.581 179.300 177.584 0.225 0.000 1.154 707 A CA 1.116 53.209 52.037 0.092 0.000 0.679 707 A CB -0.903 18.186 19.000 0.149 0.000 0.795 707 A HN 0.901 nan 8.150 nan 0.000 0.458 708 W N -1.001 120.358 121.300 0.099 0.000 2.534 708 W HA 0.408 5.083 4.660 0.025 0.000 0.339 708 W C -0.238 176.257 176.519 -0.040 0.000 0.961 708 W CA 0.476 57.853 57.345 0.053 0.000 1.545 708 W CB -1.096 28.381 29.460 0.028 0.000 1.104 708 W HN 0.368 nan 8.180 nan 0.000 0.538 709 S N 0.097 115.338 115.700 -0.765 0.000 2.579 709 S HA 0.527 5.011 4.470 0.023 0.000 0.272 709 S C -1.011 173.358 174.600 -0.384 0.000 1.141 709 S CA -0.699 57.090 58.200 -0.683 0.000 0.843 709 S CB 2.812 65.223 63.200 -1.315 0.000 1.122 709 S HN 0.078 nan 8.310 nan 0.000 0.468 710 E N 0.549 120.639 120.200 -0.184 0.000 2.280 710 E HA 0.632 4.996 4.350 0.023 0.000 0.264 710 E C 0.162 176.720 176.600 -0.070 0.000 1.064 710 E CA -0.925 55.417 56.400 -0.096 0.000 0.900 710 E CB 1.208 30.894 29.700 -0.024 0.000 1.123 710 E HN 0.885 nan 8.360 nan 0.000 0.418 711 A N 0.746 123.534 122.820 -0.053 0.000 2.531 711 A HA 0.358 4.692 4.320 0.023 0.000 0.236 711 A C 1.178 178.763 177.584 0.002 0.000 1.062 711 A CA 0.859 52.878 52.037 -0.030 0.000 0.760 711 A CB -0.620 18.364 19.000 -0.026 0.000 0.995 711 A HN 0.833 nan 8.150 nan 0.000 0.501 712 G N 0.536 109.347 108.800 0.018 0.000 2.199 712 G HA2 -0.265 3.709 3.960 0.023 0.000 0.254 712 G HA3 -0.265 3.709 3.960 0.023 0.000 0.254 712 G C 0.282 175.214 174.900 0.053 0.000 0.982 712 G CA 0.782 45.895 45.100 0.021 0.000 0.632 712 G HN 1.897 nan 8.290 nan 0.000 0.529 713 H N 0.873 119.940 119.070 -0.004 0.000 3.094 713 H HA 0.386 4.956 4.556 0.023 0.000 0.320 713 H C 0.729 176.124 175.328 0.112 0.000 1.000 713 H CA 0.519 56.591 56.048 0.040 0.000 1.413 713 H CB 0.139 29.897 29.762 -0.007 0.000 1.405 713 H HN 0.329 nan 8.280 nan 0.000 0.586 714 I N 4.657 124.974 120.570 -0.421 0.000 2.331 714 I HA 0.044 4.228 4.170 0.023 0.000 0.292 714 I C 0.865 176.822 176.117 -0.266 0.000 0.998 714 I CA 0.017 61.206 61.300 -0.186 0.000 1.267 714 I CB 1.597 39.551 38.000 -0.077 0.000 1.386 714 I HN 0.807 nan 8.210 nan 0.000 0.476 715 S N 4.069 119.869 115.700 0.166 0.000 2.512 715 S HA 0.566 5.050 4.470 0.023 0.000 0.216 715 S C 0.356 175.255 174.600 0.497 0.000 1.006 715 S CA -0.091 58.362 58.200 0.422 0.000 0.915 715 S CB 0.609 64.189 63.200 0.634 0.000 0.824 715 S HN 0.722 nan 8.310 nan 0.000 0.497 716 A N 0.518 123.671 122.820 0.555 0.000 2.605 716 A HA 0.673 5.007 4.320 0.023 0.000 0.294 716 A C -1.715 176.263 177.584 0.657 0.000 1.062 716 A CA -0.894 51.447 52.037 0.507 0.000 0.682 716 A CB 0.391 19.737 19.000 0.577 0.000 1.278 716 A HN 0.921 nan 8.150 nan 0.000 0.410 717 W N -0.184 121.319 121.300 0.339 0.000 2.959 717 W HA 0.822 5.496 4.660 0.024 0.000 0.358 717 W C -1.142 175.446 176.519 0.114 0.000 1.228 717 W CA -0.633 56.791 57.345 0.131 0.000 1.183 717 W CB 1.119 30.611 29.460 0.054 0.000 1.467 717 W HN 1.059 nan 8.180 nan 0.000 0.578 718 Q N 0.815 120.658 119.800 0.072 0.000 2.594 718 Q HA 0.430 4.784 4.340 0.023 0.000 0.278 718 Q C -1.596 174.245 176.000 -0.265 0.000 0.961 718 Q CA -0.439 55.250 55.803 -0.189 0.000 0.844 718 Q CB 2.238 30.706 28.738 -0.450 0.000 1.475 718 Q HN 0.627 nan 8.270 nan 0.000 0.389 719 Q N 1.146 120.730 119.800 -0.360 0.000 2.484 719 Q HA 0.687 5.041 4.340 0.023 0.000 0.285 719 Q C -1.154 174.673 176.000 -0.288 0.000 1.097 719 Q CA -0.777 54.983 55.803 -0.073 0.000 0.802 719 Q CB 2.535 31.454 28.738 0.303 0.000 1.444 719 Q HN 0.608 nan 8.270 nan 0.000 0.429 720 W N 0.648 122.096 121.300 0.247 0.000 3.217 720 W HA 0.412 5.086 4.660 0.023 0.000 0.323 720 W C -0.563 175.834 176.519 -0.202 0.000 1.216 720 W CA -0.621 56.751 57.345 0.046 0.000 1.194 720 W CB 1.732 31.193 29.460 0.002 0.000 1.397 720 W HN 0.448 nan 8.180 nan 0.000 0.537 721 R N 1.759 122.074 120.500 -0.308 0.000 2.441 721 R HA 0.527 4.881 4.340 0.023 0.000 0.284 721 R C 0.496 176.617 176.300 -0.298 0.000 1.070 721 R CA -0.210 55.446 56.100 -0.740 0.000 1.047 721 R CB 1.273 31.075 30.300 -0.831 0.000 1.016 721 R HN 0.308 nan 8.270 nan 0.000 0.477 722 L N 1.043 122.107 121.223 -0.265 0.000 2.731 722 L HA 0.535 4.889 4.340 0.023 0.000 0.199 722 L C 0.629 177.408 176.870 -0.152 0.000 1.976 722 L CA -1.017 53.737 54.840 -0.143 0.000 2.802 722 L CB -0.165 41.847 42.059 -0.078 0.000 2.882 722 L HN 0.596 nan 8.230 nan 0.000 0.651 723 A N 0.214 122.973 122.820 -0.101 0.000 2.406 723 A HA 0.241 4.575 4.320 0.023 0.000 0.243 723 A C -0.326 177.203 177.584 -0.091 0.000 1.082 723 A CA 0.181 52.166 52.037 -0.086 0.000 0.786 723 A CB 0.261 19.229 19.000 -0.053 0.000 1.029 723 A HN 0.619 nan 8.150 nan 0.000 0.495 724 E N 0.530 120.685 120.200 -0.075 0.000 2.266 724 E HA 0.333 4.697 4.350 0.023 0.000 0.268 724 E C -1.481 175.103 176.600 -0.027 0.000 0.879 724 E CA -0.746 55.620 56.400 -0.058 0.000 0.762 724 E CB 1.007 30.664 29.700 -0.072 0.000 1.199 724 E HN 0.687 nan 8.360 nan 0.000 0.422 725 N N 4.666 123.362 118.700 -0.007 0.000 2.518 725 N HA 0.277 5.031 4.740 0.023 0.000 0.254 725 N C -0.605 174.912 175.510 0.012 0.000 0.979 725 N CA -0.348 52.703 53.050 0.002 0.000 0.930 725 N CB 1.189 39.681 38.487 0.009 0.000 1.152 725 N HN 0.429 nan 8.380 nan 0.000 0.505 726 L N 0.592 121.822 121.223 0.011 0.000 2.461 726 L HA 0.154 4.508 4.340 0.023 0.000 0.272 726 L C 1.325 178.210 176.870 0.024 0.000 1.197 726 L CA -0.000 54.852 54.840 0.020 0.000 0.836 726 L CB 0.418 42.488 42.059 0.018 0.000 1.105 726 L HN 0.342 nan 8.230 nan 0.000 0.477 727 S N 1.116 116.835 115.700 0.032 0.000 2.505 727 S HA 0.261 4.745 4.470 0.023 0.000 0.276 727 S C 0.575 175.191 174.600 0.027 0.000 1.274 727 S CA -0.748 57.470 58.200 0.031 0.000 1.053 727 S CB 0.772 63.995 63.200 0.038 0.000 0.919 727 S HN 0.483 nan 8.310 nan 0.000 0.490 728 V N 2.216 122.143 119.914 0.022 0.000 3.380 728 V HA 0.339 4.473 4.120 0.023 0.000 0.307 728 V C 0.546 176.650 176.094 0.018 0.000 1.434 728 V CA 0.022 62.333 62.300 0.019 0.000 1.075 728 V CB -0.524 31.308 31.823 0.015 0.000 0.954 728 V HN 0.833 nan 8.190 nan 0.000 0.444 729 T N 2.132 116.698 114.554 0.019 0.000 2.737 729 T HA 0.659 5.023 4.350 0.023 0.000 0.296 729 T C -0.127 174.583 174.700 0.017 0.000 0.922 729 T CA -0.531 61.580 62.100 0.017 0.000 1.079 729 T CB 0.799 69.677 68.868 0.017 0.000 0.892 729 T HN 0.380 nan 8.240 nan 0.000 0.514 730 L N 3.257 124.488 121.223 0.014 0.000 2.456 730 L HA 0.442 4.796 4.340 0.023 0.000 0.272 730 L C -1.857 175.018 176.870 0.008 0.000 1.189 730 L CA -1.661 53.186 54.840 0.012 0.000 0.846 730 L CB -1.283 40.782 42.059 0.009 0.000 1.111 730 L HN 0.411 nan 8.230 nan 0.000 0.475 731 P HA 0.336 nan 4.420 nan 0.000 0.274 731 P C -0.689 176.604 177.300 -0.013 0.000 1.231 731 P CA -0.553 62.546 63.100 -0.001 0.000 0.790 731 P CB 0.731 32.431 31.700 0.000 0.000 0.951 732 A N 2.135 124.938 122.820 -0.028 0.000 2.524 732 A HA 0.427 4.761 4.320 0.023 0.000 0.250 732 A C 0.796 178.341 177.584 -0.064 0.000 1.078 732 A CA -0.075 51.935 52.037 -0.045 0.000 0.761 732 A CB -0.731 18.230 19.000 -0.065 0.000 1.012 732 A HN 0.699 nan 8.150 nan 0.000 0.500 733 A N 3.923 126.722 122.820 -0.035 0.000 2.567 733 A HA 0.388 4.722 4.320 0.023 0.000 0.240 733 A C 1.031 178.587 177.584 -0.047 0.000 1.053 733 A CA 0.337 52.360 52.037 -0.023 0.000 0.755 733 A CB -0.496 18.507 19.000 0.005 0.000 0.978 733 A HN 1.265 nan 8.150 nan 0.000 0.507 734 S N 1.816 117.496 115.700 -0.033 0.000 2.643 734 S HA -0.091 4.393 4.470 0.023 0.000 0.310 734 S C 1.031 175.659 174.600 0.046 0.000 1.253 734 S CA 0.608 58.796 58.200 -0.020 0.000 1.047 734 S CB -0.130 63.078 63.200 0.013 0.000 0.767 734 S HN 0.832 nan 8.310 nan 0.000 0.498 735 H N 0.873 119.960 119.070 0.029 0.000 2.436 735 H HA 0.243 4.813 4.556 0.023 0.000 0.294 735 H C 0.944 176.290 175.328 0.029 0.000 1.048 735 H CA 0.577 56.641 56.048 0.027 0.000 1.353 735 H CB 0.301 30.079 29.762 0.027 0.000 1.414 735 H HN 0.669 nan 8.280 nan 0.000 0.536 736 A N 0.582 123.490 122.820 0.147 0.000 2.569 736 A HA 0.508 4.842 4.320 0.023 0.000 0.290 736 A C -1.611 176.020 177.584 0.078 0.000 1.136 736 A CA -0.693 51.405 52.037 0.102 0.000 0.710 736 A CB 1.260 20.323 19.000 0.104 0.000 1.303 736 A HN 0.173 nan 8.150 nan 0.000 0.413 737 I N 0.849 121.461 120.570 0.071 0.000 2.389 737 I HA 0.676 4.860 4.170 0.023 0.000 0.288 737 I C -2.504 173.660 176.117 0.079 0.000 0.999 737 I CA -2.098 59.236 61.300 0.058 0.000 1.129 737 I CB 1.784 39.807 38.000 0.039 0.000 1.288 737 I HN 0.399 nan 8.210 nan 0.000 0.444 738 P HA 0.109 nan 4.420 nan 0.000 0.272 738 P C -1.219 176.154 177.300 0.121 0.000 1.230 738 P CA 0.114 63.283 63.100 0.114 0.000 0.788 738 P CB 0.412 32.157 31.700 0.076 0.000 0.949 739 H N 1.627 120.741 119.070 0.073 0.000 2.457 739 H HA 0.410 4.980 4.556 0.023 0.000 0.335 739 H C -1.198 174.173 175.328 0.071 0.000 1.115 739 H CA -0.874 55.209 56.048 0.057 0.000 1.219 739 H CB 1.408 31.202 29.762 0.055 0.000 1.471 739 H HN 0.228 nan 8.280 nan 0.000 0.491 740 L N 4.709 125.616 121.223 -0.526 0.000 2.272 740 L HA 0.309 4.663 4.340 0.023 0.000 0.289 740 L C -0.667 176.057 176.870 -0.243 0.000 1.032 740 L CA -0.131 54.569 54.840 -0.235 0.000 0.810 740 L CB 1.416 43.350 42.059 -0.209 0.000 1.205 740 L HN 0.535 nan 8.230 nan 0.000 0.422 741 T N 3.687 118.329 114.554 0.146 0.000 2.753 741 T HA 0.352 4.716 4.350 0.023 0.000 0.297 741 T C -0.078 174.746 174.700 0.208 0.000 0.981 741 T CA -0.191 62.048 62.100 0.231 0.000 0.956 741 T CB 0.468 69.488 68.868 0.253 0.000 0.936 741 T HN 0.677 nan 8.240 nan 0.000 0.463 742 T N 3.735 118.403 114.554 0.189 0.000 2.749 742 T HA 0.531 4.895 4.350 0.023 0.000 0.287 742 T C 0.356 175.135 174.700 0.131 0.000 0.970 742 T CA -0.609 61.643 62.100 0.254 0.000 0.980 742 T CB 0.672 69.704 68.868 0.273 0.000 0.924 742 T HN 0.677 nan 8.240 nan 0.000 0.456 743 S N 2.593 118.325 115.700 0.054 0.000 2.689 743 S HA 0.459 4.943 4.470 0.023 0.000 0.306 743 S C 1.058 175.620 174.600 -0.063 0.000 1.104 743 S CA -0.934 57.268 58.200 0.003 0.000 0.973 743 S CB 1.503 64.707 63.200 0.007 0.000 1.121 743 S HN 0.537 nan 8.310 nan 0.000 0.523 744 E N 0.572 120.745 120.200 -0.045 0.000 2.114 744 E HA -0.195 4.169 4.350 0.023 0.000 0.199 744 E C 1.372 177.904 176.600 -0.113 0.000 1.008 744 E CA 1.832 58.193 56.400 -0.065 0.000 0.810 744 E CB -0.412 29.267 29.700 -0.035 0.000 0.739 744 E HN 0.805 nan 8.360 nan 0.000 0.456 745 M N -0.763 118.779 119.600 -0.096 0.000 2.333 745 M HA 0.333 4.827 4.480 0.023 0.000 0.257 745 M C -0.388 175.831 176.300 -0.134 0.000 1.078 745 M CA 0.035 55.271 55.300 -0.106 0.000 1.005 745 M CB 0.478 33.049 32.600 -0.047 0.000 1.444 745 M HN -0.314 nan 8.290 nan 0.000 0.496 746 D N -0.011 120.292 120.400 -0.161 0.000 2.661 746 D HA 0.442 5.096 4.640 0.023 0.000 0.228 746 D C -1.463 174.751 176.300 -0.143 0.000 1.183 746 D CA -0.253 53.680 54.000 -0.112 0.000 0.844 746 D CB 2.278 43.097 40.800 0.032 0.000 1.555 746 D HN 0.102 nan 8.370 nan 0.000 0.453 747 F N 0.999 121.040 119.950 0.152 0.000 2.403 747 F HA 0.344 4.885 4.527 0.023 0.000 0.355 747 F C 0.133 176.074 175.800 0.235 0.000 1.119 747 F CA -0.740 57.351 58.000 0.151 0.000 1.007 747 F CB 1.339 40.407 39.000 0.113 0.000 1.194 747 F HN 0.056 nan 8.300 nan 0.000 0.443 748 C N 4.604 124.132 119.300 0.380 0.000 2.411 748 C HA 0.750 5.224 4.460 0.023 0.000 0.330 748 C C -0.302 174.884 174.990 0.327 0.000 1.224 748 C CA -0.682 58.534 59.018 0.331 0.000 1.770 748 C CB 1.066 28.937 27.740 0.218 0.000 2.297 748 C HN 0.576 nan 8.230 nan 0.000 0.507 749 I N 2.961 123.767 120.570 0.393 0.000 2.498 749 I HA 0.456 4.640 4.170 0.023 0.000 0.290 749 I C -0.628 175.760 176.117 0.452 0.000 1.032 749 I CA -0.081 61.443 61.300 0.374 0.000 1.073 749 I CB 1.810 40.011 38.000 0.336 0.000 1.251 749 I HN 0.592 nan 8.210 nan 0.000 0.426 750 E N 6.135 126.553 120.200 0.364 0.000 2.266 750 E HA 0.778 5.142 4.350 0.023 0.000 0.268 750 E C -1.314 175.471 176.600 0.308 0.000 0.879 750 E CA -0.655 55.923 56.400 0.298 0.000 0.762 750 E CB 2.605 32.392 29.700 0.145 0.000 1.199 750 E HN 0.391 nan 8.360 nan 0.000 0.422 751 L N 2.385 123.792 121.223 0.306 0.000 2.617 751 L HA 0.584 4.938 4.340 0.023 0.000 0.259 751 L C 0.222 177.185 176.870 0.156 0.000 0.995 751 L CA 0.584 55.582 54.840 0.264 0.000 0.899 751 L CB 0.796 43.075 42.059 0.366 0.000 1.181 751 L HN 0.712 nan 8.230 nan 0.000 0.437 752 G N 3.927 112.779 108.800 0.087 0.000 2.527 752 G HA2 -0.373 3.601 3.960 0.023 0.000 0.268 752 G HA3 -0.373 3.601 3.960 0.023 0.000 0.268 752 G C 0.352 175.251 174.900 -0.001 0.000 1.175 752 G CA 0.405 45.530 45.100 0.042 0.000 0.962 752 G HN 1.159 nan 8.290 nan 0.000 0.560 753 N N 1.114 119.799 118.700 -0.026 0.000 2.313 753 N HA 0.194 4.948 4.740 0.023 0.000 0.207 753 N C 0.288 175.737 175.510 -0.101 0.000 1.141 753 N CA 0.628 53.643 53.050 -0.059 0.000 0.830 753 N CB 0.332 38.786 38.487 -0.054 0.000 1.008 753 N HN 0.689 nan 8.380 nan 0.000 0.481 754 K N 0.248 120.569 120.400 -0.132 0.000 2.164 754 K HA 0.460 4.794 4.320 0.023 0.000 0.258 754 K C -0.484 175.907 176.600 -0.349 0.000 0.951 754 K CA -0.574 55.512 56.287 -0.334 0.000 0.844 754 K CB 2.213 34.416 32.500 -0.495 0.000 1.099 754 K HN -0.017 nan 8.250 nan 0.000 0.435 755 R N 1.814 122.045 120.500 -0.450 0.000 2.725 755 R HA 0.429 4.783 4.340 0.023 0.000 0.277 755 R C -1.538 174.639 176.300 -0.205 0.000 0.987 755 R CA -0.704 55.303 56.100 -0.155 0.000 0.901 755 R CB 1.359 31.619 30.300 -0.067 0.000 1.207 755 R HN 0.600 nan 8.270 nan 0.000 0.463 756 W N 2.811 124.214 121.300 0.172 0.000 2.839 756 W HA 0.296 4.970 4.660 0.023 0.000 0.334 756 W C -0.680 175.886 176.519 0.078 0.000 1.064 756 W CA -0.526 56.849 57.345 0.049 0.000 1.236 756 W CB 2.182 31.678 29.460 0.060 0.000 1.405 756 W HN 0.410 nan 8.180 nan 0.000 0.478 757 Q N 2.955 122.827 119.800 0.120 0.000 2.330 757 Q HA 0.428 4.782 4.340 0.023 0.000 0.269 757 Q C -1.899 173.986 176.000 -0.192 0.000 1.022 757 Q CA -0.492 55.385 55.803 0.123 0.000 0.796 757 Q CB 1.426 30.324 28.738 0.267 0.000 1.271 757 Q HN 0.372 nan 8.270 nan 0.000 0.450 758 F N 3.346 123.390 119.950 0.156 0.000 2.375 758 F HA 0.274 4.815 4.527 0.023 0.000 0.361 758 F C 0.597 176.436 175.800 0.064 0.000 1.117 758 F CA -0.928 57.133 58.000 0.101 0.000 1.037 758 F CB 1.027 40.090 39.000 0.104 0.000 1.192 758 F HN 0.494 nan 8.300 nan 0.000 0.452 759 N N 3.443 122.232 118.700 0.149 0.000 2.475 759 N HA 0.048 4.802 4.740 0.023 0.000 0.267 759 N C 0.892 176.422 175.510 0.033 0.000 1.169 759 N CA 0.025 53.118 53.050 0.072 0.000 0.947 759 N CB 0.766 39.304 38.487 0.084 0.000 1.061 759 N HN 0.648 nan 8.380 nan 0.000 0.466 760 R N 2.551 122.996 120.500 -0.092 0.000 2.280 760 R HA -0.010 4.344 4.340 0.023 0.000 0.207 760 R C 1.321 177.577 176.300 -0.073 0.000 1.043 760 R CA 0.945 56.952 56.100 -0.155 0.000 1.006 760 R CB 0.193 30.248 30.300 -0.407 0.000 0.885 760 R HN 0.671 nan 8.270 nan 0.000 0.467 761 Q N -0.084 119.697 119.800 -0.031 0.000 2.339 761 Q HA 0.016 4.370 4.340 0.023 0.000 0.205 761 Q C 1.990 178.001 176.000 0.018 0.000 0.925 761 Q CA 1.234 57.031 55.803 -0.011 0.000 0.898 761 Q CB 0.544 29.283 28.738 0.001 0.000 1.013 761 Q HN 0.350 nan 8.270 nan 0.000 0.504 762 S N -0.981 114.752 115.700 0.055 0.000 2.421 762 S HA 0.107 4.591 4.470 0.023 0.000 0.224 762 S C 1.602 176.180 174.600 -0.037 0.000 1.035 762 S CA 0.731 58.996 58.200 0.109 0.000 0.953 762 S CB 0.242 63.608 63.200 0.276 0.000 0.810 762 S HN 0.450 nan 8.310 nan 0.000 0.497 763 G N 0.389 109.168 108.800 -0.035 0.000 2.143 763 G HA2 -0.209 3.765 3.960 0.023 0.000 0.249 763 G HA3 -0.209 3.765 3.960 0.023 0.000 0.249 763 G C -0.081 174.741 174.900 -0.129 0.000 0.981 763 G CA 0.328 45.373 45.100 -0.092 0.000 0.665 763 G HN 0.537 nan 8.290 nan 0.000 0.528 764 F N -1.450 118.685 119.950 0.308 0.000 2.598 764 F HA 0.680 5.221 4.527 0.023 0.000 0.327 764 F C 0.437 176.305 175.800 0.114 0.000 1.057 764 F CA -1.437 56.719 58.000 0.260 0.000 0.957 764 F CB 1.414 40.510 39.000 0.160 0.000 1.278 764 F HN -0.002 nan 8.300 nan 0.000 0.484 765 L N 1.792 123.139 121.223 0.207 0.000 2.515 765 L HA 0.184 4.538 4.340 0.023 0.000 0.281 765 L C 0.883 177.672 176.870 -0.135 0.000 1.131 765 L CA 0.405 55.026 54.840 -0.364 0.000 0.905 765 L CB 0.068 41.918 42.059 -0.348 0.000 1.246 765 L HN 0.676 nan 8.230 nan 0.000 0.463 766 S N 2.349 117.964 115.700 -0.142 0.000 2.501 766 S HA 0.208 4.692 4.470 0.023 0.000 0.220 766 S C 0.605 175.088 174.600 -0.195 0.000 0.997 766 S CA -0.112 58.036 58.200 -0.087 0.000 0.919 766 S CB 0.031 63.226 63.200 -0.010 0.000 0.778 766 S HN 0.645 nan 8.310 nan 0.000 0.523 767 Q N 0.051 119.678 119.800 -0.289 0.000 2.386 767 Q HA 0.595 4.949 4.340 0.023 0.000 0.274 767 Q C -1.812 173.864 176.000 -0.541 0.000 1.011 767 Q CA -0.310 55.187 55.803 -0.509 0.000 0.867 767 Q CB 1.830 30.111 28.738 -0.761 0.000 1.409 767 Q HN 0.308 nan 8.270 nan 0.000 0.395 768 M N 3.121 122.301 119.600 -0.700 0.000 2.324 768 M HA 0.504 4.998 4.480 0.023 0.000 0.288 768 M C -1.919 174.048 176.300 -0.556 0.000 1.097 768 M CA -0.137 54.832 55.300 -0.552 0.000 0.928 768 M CB 1.483 33.727 32.600 -0.594 0.000 1.648 768 M HN 0.748 nan 8.290 nan 0.000 0.460 769 W N 5.372 126.427 121.300 -0.409 0.000 2.666 769 W HA 0.540 5.214 4.660 0.023 0.000 0.334 769 W C -0.876 175.447 176.519 -0.326 0.000 1.051 769 W CA -0.759 56.410 57.345 -0.293 0.000 1.224 769 W CB 1.740 31.069 29.460 -0.218 0.000 1.405 769 W HN 0.517 nan 8.180 nan 0.000 0.513 770 I N 3.167 123.719 120.570 -0.031 0.000 2.359 770 I HA 0.321 4.505 4.170 0.023 0.000 0.284 770 I C 0.894 176.991 176.117 -0.034 0.000 1.018 770 I CA 0.452 61.696 61.300 -0.093 0.000 1.173 770 I CB 0.828 38.752 38.000 -0.127 0.000 1.326 770 I HN 0.757 nan 8.210 nan 0.000 0.462 771 G N 6.378 115.150 108.800 -0.046 0.000 2.531 771 G HA2 -0.325 3.649 3.960 0.023 0.000 0.274 771 G HA3 -0.325 3.649 3.960 0.023 0.000 0.274 771 G C 0.382 175.279 174.900 -0.005 0.000 1.159 771 G CA 0.467 45.545 45.100 -0.036 0.000 0.969 771 G HN 0.763 nan 8.290 nan 0.000 0.554 772 D N 0.806 121.215 120.400 0.015 0.000 2.363 772 D HA 0.230 4.884 4.640 0.023 0.000 0.214 772 D C 0.337 176.760 176.300 0.205 0.000 1.093 772 D CA 0.215 54.250 54.000 0.059 0.000 0.837 772 D CB 0.205 41.010 40.800 0.009 0.000 0.948 772 D HN 0.275 nan 8.370 nan 0.000 0.507 773 K N 1.228 121.714 120.400 0.143 0.000 2.227 773 K HA 0.299 4.633 4.320 0.023 0.000 0.280 773 K C 0.186 176.785 176.600 -0.001 0.000 1.041 773 K CA -0.503 55.831 56.287 0.079 0.000 0.905 773 K CB 1.426 33.924 32.500 -0.003 0.000 1.068 773 K HN 0.014 nan 8.250 nan 0.000 0.470 774 K N 2.334 122.645 120.400 -0.147 0.000 2.412 774 K HA 0.010 4.344 4.320 0.023 0.000 0.281 774 K C 1.027 177.450 176.600 -0.295 0.000 1.027 774 K CA 0.044 56.038 56.287 -0.489 0.000 0.989 774 K CB 0.587 32.832 32.500 -0.424 0.000 0.935 774 K HN 0.347 nan 8.250 nan 0.000 0.475 775 Q N 1.701 121.307 119.800 -0.324 0.000 2.392 775 Q HA 0.163 4.517 4.340 0.023 0.000 0.219 775 Q C 0.225 176.161 176.000 -0.107 0.000 0.895 775 Q CA 0.513 56.246 55.803 -0.116 0.000 0.929 775 Q CB 0.458 29.175 28.738 -0.036 0.000 1.077 775 Q HN 0.508 nan 8.270 nan 0.000 0.532 776 L N 0.531 121.622 121.223 -0.220 0.000 2.330 776 L HA 0.379 4.733 4.340 0.023 0.000 0.271 776 L C 1.013 177.757 176.870 -0.210 0.000 1.013 776 L CA -0.409 54.318 54.840 -0.187 0.000 0.816 776 L CB 1.536 43.472 42.059 -0.204 0.000 1.287 776 L HN -0.061 nan 8.230 nan 0.000 0.435 777 L N 0.086 121.176 121.223 -0.222 0.000 2.537 777 L HA 0.238 4.592 4.340 0.023 0.000 0.224 777 L C 0.089 176.844 176.870 -0.191 0.000 1.065 777 L CA 0.617 55.330 54.840 -0.211 0.000 0.860 777 L CB 0.729 42.645 42.059 -0.239 0.000 1.086 777 L HN 0.620 nan 8.230 nan 0.000 0.482 778 T N 0.074 114.495 114.554 -0.222 0.000 2.909 778 T HA 0.407 4.771 4.350 0.023 0.000 0.299 778 T C -2.606 172.027 174.700 -0.112 0.000 1.073 778 T CA -1.138 60.878 62.100 -0.140 0.000 0.999 778 T CB 2.537 71.307 68.868 -0.164 0.000 1.098 778 T HN -0.261 nan 8.240 nan 0.000 0.477 779 P HA 0.177 nan 4.420 nan 0.000 0.269 779 P C -0.621 176.649 177.300 -0.050 0.000 1.217 779 P CA -0.694 62.376 63.100 -0.050 0.000 0.783 779 P CB 0.416 32.110 31.700 -0.009 0.000 0.898 780 L N 3.509 124.746 121.223 0.023 0.000 2.385 780 L HA 0.214 4.568 4.340 0.023 0.000 0.281 780 L C 0.245 177.089 176.870 -0.044 0.000 1.106 780 L CA 0.593 55.483 54.840 0.084 0.000 0.856 780 L CB -0.641 41.582 42.059 0.273 0.000 1.186 780 L HN 0.279 nan 8.230 nan 0.000 0.453 781 R N 2.962 123.343 120.500 -0.198 0.000 2.750 781 R HA 0.451 4.805 4.340 0.023 0.000 0.281 781 R C -0.899 175.287 176.300 -0.191 0.000 0.972 781 R CA -1.016 54.805 56.100 -0.465 0.000 0.912 781 R CB 1.326 31.210 30.300 -0.692 0.000 1.187 781 R HN 0.538 nan 8.270 nan 0.000 0.464 782 D N 1.257 121.608 120.400 -0.082 0.000 2.400 782 D HA 0.026 4.680 4.640 0.023 0.000 0.238 782 D C -0.369 175.572 176.300 -0.599 0.000 1.157 782 D CA 0.442 54.259 54.000 -0.304 0.000 0.889 782 D CB 0.664 41.248 40.800 -0.360 0.000 1.199 782 D HN 0.238 nan 8.370 nan 0.000 0.436 783 Q N 0.780 120.037 119.800 -0.906 0.000 2.331 783 Q HA 0.392 4.747 4.340 0.023 0.000 0.272 783 Q C -1.253 174.025 176.000 -1.202 0.000 1.062 783 Q CA -0.601 54.712 55.803 -0.815 0.000 0.806 783 Q CB 0.920 29.392 28.738 -0.443 0.000 1.312 783 Q HN 0.557 nan 8.270 nan 0.000 0.431 784 F N 0.591 120.168 119.950 -0.621 0.000 2.729 784 F HA 0.210 4.751 4.527 0.023 0.000 0.315 784 F C 0.392 175.772 175.800 -0.700 0.000 1.102 784 F CA -0.220 57.305 58.000 -0.793 0.000 1.204 784 F CB 1.642 39.866 39.000 -1.293 0.000 1.052 784 F HN 0.472 nan 8.300 nan 0.000 0.551 785 T N -0.933 113.334 114.554 -0.478 0.000 2.901 785 T HA 0.760 5.124 4.350 0.023 0.000 0.293 785 T C -0.606 173.855 174.700 -0.399 0.000 1.084 785 T CA -0.967 60.780 62.100 -0.589 0.000 1.008 785 T CB 2.810 71.259 68.868 -0.699 0.000 1.170 785 T HN 0.244 nan 8.240 nan 0.000 0.509 786 R N 0.143 120.431 120.500 -0.354 0.000 2.837 786 R HA 0.801 5.155 4.340 0.023 0.000 0.271 786 R C -0.796 175.560 176.300 0.093 0.000 0.993 786 R CA -1.234 54.799 56.100 -0.112 0.000 0.931 786 R CB 1.566 31.813 30.300 -0.088 0.000 1.206 786 R HN 0.821 nan 8.270 nan 0.000 0.474 787 A N 3.014 125.882 122.820 0.079 0.000 2.454 787 A HA 0.336 4.670 4.320 0.023 0.000 0.260 787 A C -2.051 175.621 177.584 0.147 0.000 1.106 787 A CA -1.588 50.506 52.037 0.095 0.000 0.780 787 A CB -0.277 18.720 19.000 -0.005 0.000 1.044 787 A HN 0.576 nan 8.150 nan 0.000 0.498 788 P HA 0.092 nan 4.420 nan 0.000 0.263 788 P C -0.265 177.184 177.300 0.249 0.000 1.195 788 P CA 0.468 63.745 63.100 0.295 0.000 0.762 788 P CB 0.283 32.181 31.700 0.329 0.000 0.799 789 L N 2.634 123.967 121.223 0.183 0.000 2.475 789 L HA 0.139 4.493 4.340 0.023 0.000 0.253 789 L C 1.863 178.793 176.870 0.099 0.000 1.198 789 L CA -0.453 54.441 54.840 0.090 0.000 0.814 789 L CB -0.070 41.966 42.059 -0.039 0.000 1.134 789 L HN 0.297 nan 8.230 nan 0.000 0.478 790 D N 0.439 120.850 120.400 0.018 0.000 2.133 790 D HA -0.169 4.485 4.640 0.023 0.000 0.195 790 D C 1.649 177.944 176.300 -0.009 0.000 0.997 790 D CA 1.484 55.447 54.000 -0.061 0.000 0.840 790 D CB -0.007 40.732 40.800 -0.102 0.000 0.947 790 D HN 0.497 nan 8.370 nan 0.000 0.452 791 N N 1.127 119.822 118.700 -0.008 0.000 2.289 791 N HA -0.116 4.638 4.740 0.023 0.000 0.184 791 N C 1.200 176.737 175.510 0.046 0.000 1.016 791 N CA 0.743 53.798 53.050 0.009 0.000 0.872 791 N CB -0.215 38.262 38.487 -0.016 0.000 0.973 791 N HN 0.270 nan 8.380 nan 0.000 0.433 792 D N 0.562 121.007 120.400 0.076 0.000 2.183 792 D HA 0.015 4.669 4.640 0.023 0.000 0.203 792 D C 1.990 178.340 176.300 0.083 0.000 0.969 792 D CA 0.349 54.422 54.000 0.121 0.000 0.842 792 D CB 0.021 40.972 40.800 0.251 0.000 0.957 792 D HN 0.322 nan 8.370 nan 0.000 0.484 793 I N 0.384 120.991 120.570 0.062 0.000 2.439 793 I HA -0.059 4.125 4.170 0.023 0.000 0.251 793 I C 1.336 177.446 176.117 -0.012 0.000 1.139 793 I CA 0.691 62.003 61.300 0.020 0.000 1.438 793 I CB -0.260 37.726 38.000 -0.024 0.000 1.085 793 I HN 0.033 nan 8.210 nan 0.000 0.427 794 G N 2.217 111.017 108.800 0.000 0.000 2.295 794 G HA2 -0.174 3.800 3.960 0.023 0.000 0.287 794 G HA3 -0.174 3.800 3.960 0.023 0.000 0.287 794 G C 0.021 174.923 174.900 0.002 0.000 1.055 794 G CA 0.417 45.516 45.100 -0.003 0.000 0.922 794 G HN 0.485 nan 8.290 nan 0.000 0.503 795 V N -3.355 116.556 119.914 -0.004 0.000 2.925 795 V HA 0.938 5.072 4.120 0.023 0.000 0.311 795 V C 0.503 176.436 176.094 -0.268 0.000 1.104 795 V CA 0.331 62.572 62.300 -0.097 0.000 0.954 795 V CB 1.864 33.607 31.823 -0.132 0.000 1.022 795 V HN 1.132 nan 8.190 nan 0.000 0.427 796 S N 0.759 116.094 115.700 -0.608 0.000 2.603 796 S HA 0.453 4.937 4.470 0.023 0.000 0.232 796 S C 0.090 174.030 174.600 -1.100 0.000 1.016 796 S CA -0.201 57.069 58.200 -1.551 0.000 0.976 796 S CB -0.159 62.067 63.200 -1.624 0.000 0.921 796 S HN 0.887 nan 8.310 nan 0.000 0.516 797 E N 0.668 120.513 120.200 -0.591 0.000 2.274 797 E HA 0.541 4.905 4.350 0.023 0.000 0.269 797 E C 0.148 176.598 176.600 -0.250 0.000 0.891 797 E CA -0.374 55.787 56.400 -0.398 0.000 0.784 797 E CB 1.856 31.339 29.700 -0.362 0.000 1.225 797 E HN 0.179 nan 8.360 nan 0.000 0.412 798 A N 2.422 125.135 122.820 -0.178 0.000 2.032 798 A HA -0.204 4.130 4.320 0.023 0.000 0.221 798 A C 1.945 179.474 177.584 -0.093 0.000 1.165 798 A CA 2.335 54.312 52.037 -0.100 0.000 0.645 798 A CB -0.669 18.305 19.000 -0.043 0.000 0.807 798 A HN 0.659 nan 8.150 nan 0.000 0.453 799 T N -0.504 113.980 114.554 -0.117 0.000 2.698 799 T HA -0.019 4.345 4.350 0.023 0.000 0.260 799 T C 1.154 175.798 174.700 -0.093 0.000 1.044 799 T CA 0.703 62.748 62.100 -0.093 0.000 1.149 799 T CB -0.275 68.533 68.868 -0.100 0.000 0.864 799 T HN 0.497 nan 8.240 nan 0.000 0.419 800 R N 1.065 121.491 120.500 -0.122 0.000 2.811 800 R HA 0.477 4.831 4.340 0.023 0.000 0.265 800 R C -0.515 175.725 176.300 -0.100 0.000 1.026 800 R CA 0.221 56.252 56.100 -0.115 0.000 1.142 800 R CB 0.057 30.270 30.300 -0.143 0.000 1.027 800 R HN 0.396 nan 8.270 nan 0.000 0.465 801 I N -0.255 120.266 120.570 -0.083 0.000 2.769 801 I HA 0.227 4.411 4.170 0.023 0.000 0.298 801 I C -0.953 175.121 176.117 -0.072 0.000 1.128 801 I CA -0.809 60.448 61.300 -0.070 0.000 1.031 801 I CB 2.298 40.266 38.000 -0.053 0.000 1.235 801 I HN 0.410 nan 8.210 nan 0.000 0.423 802 D N 5.681 126.037 120.400 -0.073 0.000 2.471 802 D HA 0.368 5.022 4.640 0.023 0.000 0.245 802 D C -2.126 174.115 176.300 -0.099 0.000 1.116 802 D CA -2.229 51.721 54.000 -0.083 0.000 0.853 802 D CB 2.616 43.367 40.800 -0.083 0.000 1.123 802 D HN 0.087 nan 8.370 nan 0.000 0.540 803 P HA -0.049 nan 4.420 nan 0.000 0.220 803 P C 0.817 178.017 177.300 -0.168 0.000 1.148 803 P CA 0.637 63.670 63.100 -0.111 0.000 0.803 803 P CB 0.439 32.083 31.700 -0.092 0.000 0.782 804 N N -0.399 118.192 118.700 -0.181 0.000 2.521 804 N HA 0.041 4.795 4.740 0.023 0.000 0.188 804 N C 0.703 176.005 175.510 -0.348 0.000 1.146 804 N CA 0.179 53.072 53.050 -0.260 0.000 0.893 804 N CB -0.341 38.019 38.487 -0.211 0.000 0.975 804 N HN 0.097 nan 8.380 nan 0.000 0.451 805 A N -0.400 122.261 122.820 -0.264 0.000 2.407 805 A HA 0.133 4.467 4.320 0.023 0.000 0.248 805 A C 0.778 178.136 177.584 -0.377 0.000 1.082 805 A CA -0.481 51.402 52.037 -0.257 0.000 0.785 805 A CB 0.126 19.048 19.000 -0.130 0.000 1.020 805 A HN 0.307 nan 8.150 nan 0.000 0.489 806 W N 1.544 122.592 121.300 -0.419 0.000 2.318 806 W HA -0.180 4.494 4.660 0.023 0.000 0.313 806 W C 2.208 178.161 176.519 -0.944 0.000 1.221 806 W CA 1.765 58.591 57.345 -0.865 0.000 1.266 806 W CB -0.456 28.326 29.460 -1.129 0.000 1.150 806 W HN 0.533 nan 8.180 nan 0.000 0.496 807 V N 0.890 120.686 119.914 -0.196 0.000 2.392 807 V HA -0.278 3.856 4.120 0.023 0.000 0.249 807 V C 2.165 178.336 176.094 0.128 0.000 1.059 807 V CA 2.151 64.550 62.300 0.164 0.000 1.051 807 V CB -0.347 31.600 31.823 0.207 0.000 0.658 807 V HN 0.102 nan 8.190 nan 0.000 0.455 808 E N -0.252 119.928 120.200 -0.033 0.000 2.152 808 E HA -0.136 4.228 4.350 0.023 0.000 0.192 808 E C 2.336 178.893 176.600 -0.072 0.000 0.983 808 E CA 0.871 57.250 56.400 -0.035 0.000 0.818 808 E CB -0.271 29.383 29.700 -0.077 0.000 0.758 808 E HN 0.617 nan 8.360 nan 0.000 0.467 809 R N -0.177 120.202 120.500 -0.202 0.000 2.073 809 R HA -0.078 4.276 4.340 0.023 0.000 0.229 809 R C 2.250 178.476 176.300 -0.124 0.000 1.120 809 R CA 1.018 56.977 56.100 -0.234 0.000 0.967 809 R CB -0.135 29.907 30.300 -0.429 0.000 0.862 809 R HN 0.235 nan 8.270 nan 0.000 0.436 810 W N 1.639 122.901 121.300 -0.064 0.000 2.358 810 W HA -0.062 4.613 4.660 0.024 0.000 0.303 810 W C 1.920 178.395 176.519 -0.072 0.000 1.208 810 W CA 0.650 57.859 57.345 -0.226 0.000 1.274 810 W CB -0.602 28.845 29.460 -0.022 0.000 1.138 810 W HN 0.096 nan 8.180 nan 0.000 0.515 811 K N 0.212 120.823 120.400 0.352 0.000 2.002 811 K HA -0.114 4.220 4.320 0.023 0.000 0.209 811 K C 2.300 178.961 176.600 0.102 0.000 1.048 811 K CA 1.949 58.403 56.287 0.278 0.000 0.930 811 K CB -0.664 31.949 32.500 0.189 0.000 0.714 811 K HN -0.032 nan 8.250 nan 0.000 0.438 812 A N 1.149 123.999 122.820 0.050 0.000 1.972 812 A HA -0.113 4.221 4.320 0.023 0.000 0.219 812 A C 2.206 179.780 177.584 -0.017 0.000 1.169 812 A CA 1.821 53.869 52.037 0.018 0.000 0.635 812 A CB -0.612 18.385 19.000 -0.004 0.000 0.810 812 A HN 0.366 nan 8.150 nan 0.000 0.446 813 A N -1.881 120.906 122.820 -0.056 0.000 2.209 813 A HA 0.373 4.707 4.320 0.023 0.000 0.212 813 A C 1.911 179.407 177.584 -0.146 0.000 1.158 813 A CA 1.317 53.322 52.037 -0.053 0.000 0.742 813 A CB -0.920 18.028 19.000 -0.088 0.000 0.790 813 A HN 1.892 nan 8.150 nan 0.000 0.472 814 G N -1.717 106.894 108.800 -0.316 0.000 2.159 814 G HA2 -0.321 3.653 3.960 0.023 0.000 0.256 814 G HA3 -0.321 3.653 3.960 0.023 0.000 0.256 814 G C 0.631 175.513 174.900 -0.031 0.000 0.977 814 G CA 0.715 45.402 45.100 -0.688 0.000 0.652 814 G HN 0.753 nan 8.290 nan 0.000 0.531 815 H N -1.360 117.683 119.070 -0.046 0.000 2.390 815 H HA -0.107 4.463 4.556 0.023 0.000 0.298 815 H C 2.015 177.316 175.328 -0.045 0.000 1.106 815 H CA 1.603 57.638 56.048 -0.022 0.000 1.297 815 H CB 0.054 29.733 29.762 -0.137 0.000 1.375 815 H HN 0.604 nan 8.280 nan 0.000 0.509 816 Y N 0.054 120.477 120.300 0.204 0.000 2.490 816 Y HA -0.015 4.549 4.550 0.023 0.000 0.281 816 Y C 1.713 177.698 175.900 0.142 0.000 1.174 816 Y CA 0.051 58.236 58.100 0.142 0.000 1.295 816 Y CB 0.599 39.126 38.460 0.111 0.000 1.062 816 Y HN 0.177 nan 8.280 nan 0.000 0.522 817 Q N -0.459 119.507 119.800 0.277 0.000 2.245 817 Q HA 0.326 4.680 4.340 0.023 0.000 0.236 817 Q C 0.833 177.019 176.000 0.310 0.000 0.842 817 Q CA 0.105 56.068 55.803 0.267 0.000 0.945 817 Q CB 0.365 29.257 28.738 0.258 0.000 1.122 817 Q HN 0.270 nan 8.270 nan 0.000 0.506 818 A N 2.566 125.591 122.820 0.340 0.000 2.561 818 A HA 0.109 4.443 4.320 0.023 0.000 0.234 818 A C 0.099 177.993 177.584 0.518 0.000 1.055 818 A CA 0.420 52.729 52.037 0.452 0.000 0.756 818 A CB 0.054 19.357 19.000 0.504 0.000 0.986 818 A HN 0.223 nan 8.150 nan 0.000 0.505 819 E N 1.085 121.500 120.200 0.358 0.000 2.272 819 E HA 0.594 4.958 4.350 0.023 0.000 0.269 819 E C -0.542 175.954 176.600 -0.174 0.000 0.877 819 E CA -0.887 55.620 56.400 0.178 0.000 0.755 819 E CB 1.712 31.497 29.700 0.142 0.000 1.192 819 E HN 0.793 nan 8.360 nan 0.000 0.422 820 A N 2.134 124.705 122.820 -0.415 0.000 2.545 820 A HA 0.416 4.750 4.320 0.023 0.000 0.253 820 A C 0.050 177.493 177.584 -0.235 0.000 1.074 820 A CA 0.276 51.899 52.037 -0.690 0.000 0.760 820 A CB -0.167 18.601 19.000 -0.387 0.000 1.005 820 A HN 0.646 nan 8.150 nan 0.000 0.506 821 A N 3.059 125.748 122.820 -0.218 0.000 2.303 821 A HA 0.597 4.931 4.320 0.023 0.000 0.320 821 A C -0.337 177.222 177.584 -0.042 0.000 1.192 821 A CA -0.584 51.410 52.037 -0.073 0.000 0.821 821 A CB 0.594 19.560 19.000 -0.057 0.000 1.188 821 A HN 1.293 nan 8.150 nan 0.000 0.492 822 L N 2.810 124.006 121.223 -0.044 0.000 2.380 822 L HA 0.395 4.749 4.340 0.023 0.000 0.273 822 L C 0.334 177.108 176.870 -0.160 0.000 1.138 822 L CA 0.275 55.006 54.840 -0.182 0.000 0.832 822 L CB 0.532 42.477 42.059 -0.191 0.000 1.124 822 L HN 0.771 nan 8.230 nan 0.000 0.454 823 L N 3.178 124.275 121.223 -0.210 0.000 2.609 823 L HA 0.353 4.707 4.340 0.023 0.000 0.230 823 L C 0.273 177.080 176.870 -0.104 0.000 1.064 823 L CA -0.007 54.768 54.840 -0.109 0.000 0.873 823 L CB 0.098 42.121 42.059 -0.060 0.000 1.139 823 L HN 0.719 nan 8.230 nan 0.000 0.490 824 Q N -0.208 119.496 119.800 -0.161 0.000 2.438 824 Q HA 0.290 4.644 4.340 0.023 0.000 0.272 824 Q C -2.125 173.815 176.000 -0.100 0.000 0.994 824 Q CA -0.500 55.247 55.803 -0.094 0.000 0.887 824 Q CB 3.001 31.707 28.738 -0.053 0.000 1.432 824 Q HN 0.049 nan 8.270 nan 0.000 0.392 825 C N 3.365 122.655 119.300 -0.015 0.000 2.781 825 C HA 0.759 5.233 4.460 0.023 0.000 0.348 825 C C -0.648 174.451 174.990 0.181 0.000 1.051 825 C CA 0.463 59.519 59.018 0.063 0.000 1.347 825 C CB 0.417 28.201 27.740 0.073 0.000 1.846 825 C HN 0.827 nan 8.230 nan 0.000 0.473 826 T N 2.270 116.862 114.554 0.063 0.000 2.907 826 T HA 0.917 5.281 4.350 0.023 0.000 0.290 826 T C -0.507 173.947 174.700 -0.410 0.000 1.066 826 T CA -0.387 61.682 62.100 -0.051 0.000 1.012 826 T CB 1.973 70.798 68.868 -0.072 0.000 1.184 826 T HN 1.617 nan 8.240 nan 0.000 0.522 827 A N 1.100 123.502 122.820 -0.697 0.000 2.374 827 A HA 0.736 5.070 4.320 0.023 0.000 0.305 827 A C -1.249 176.069 177.584 -0.444 0.000 1.053 827 A CA -0.698 50.837 52.037 -0.837 0.000 0.726 827 A CB 1.231 19.320 19.000 -1.518 0.000 1.229 827 A HN 0.860 nan 8.150 nan 0.000 0.431 828 D N 1.129 121.335 120.400 -0.323 0.000 2.645 828 D HA 0.577 5.231 4.640 0.023 0.000 0.228 828 D C -0.748 175.444 176.300 -0.181 0.000 1.148 828 D CA 0.038 53.912 54.000 -0.209 0.000 0.860 828 D CB 2.494 43.204 40.800 -0.151 0.000 1.548 828 D HN 0.612 nan 8.370 nan 0.000 0.460 829 T N -0.336 114.134 114.554 -0.139 0.000 2.824 829 T HA 0.685 5.049 4.350 0.023 0.000 0.280 829 T C 0.426 175.074 174.700 -0.087 0.000 0.995 829 T CA -0.719 61.310 62.100 -0.118 0.000 1.009 829 T CB 1.208 70.010 68.868 -0.110 0.000 0.955 829 T HN 0.179 nan 8.240 nan 0.000 0.452 830 L N 1.530 122.707 121.223 -0.077 0.000 2.347 830 L HA 0.652 5.006 4.340 0.023 0.000 0.268 830 L C 2.049 178.895 176.870 -0.041 0.000 1.019 830 L CA -1.474 53.333 54.840 -0.055 0.000 0.806 830 L CB 0.526 42.553 42.059 -0.053 0.000 1.339 830 L HN 0.800 nan 8.230 nan 0.000 0.463 831 A N 0.468 123.271 122.820 -0.029 0.000 1.940 831 A HA -0.177 4.157 4.320 0.023 0.000 0.219 831 A C 1.119 178.695 177.584 -0.014 0.000 1.176 831 A CA 2.123 54.149 52.037 -0.018 0.000 0.631 831 A CB -0.491 18.502 19.000 -0.011 0.000 0.814 831 A HN 0.903 nan 8.150 nan 0.000 0.446 832 D N -2.653 117.736 120.400 -0.018 0.000 2.563 832 D HA 0.551 5.205 4.640 0.023 0.000 0.237 832 D C -0.002 176.284 176.300 -0.023 0.000 1.282 832 D CA 0.673 54.666 54.000 -0.012 0.000 0.816 832 D CB -0.198 40.598 40.800 -0.007 0.000 1.066 832 D HN 0.489 nan 8.370 nan 0.000 0.501 833 A N -0.591 122.204 122.820 -0.041 0.000 2.564 833 A HA 0.614 4.948 4.320 0.023 0.000 0.291 833 A C -1.786 175.746 177.584 -0.087 0.000 1.102 833 A CA -0.687 51.312 52.037 -0.063 0.000 0.660 833 A CB 1.525 20.487 19.000 -0.063 0.000 1.283 833 A HN 0.001 nan 8.150 nan 0.000 0.430 834 V N 0.636 120.480 119.914 -0.118 0.000 2.555 834 V HA 0.643 4.777 4.120 0.023 0.000 0.302 834 V C -0.998 174.994 176.094 -0.170 0.000 1.038 834 V CA -0.461 61.751 62.300 -0.147 0.000 0.887 834 V CB 1.423 33.156 31.823 -0.150 0.000 0.991 834 V HN 0.868 nan 8.190 nan 0.000 0.434 835 L N 6.381 127.495 121.223 -0.182 0.000 2.333 835 L HA 0.653 5.007 4.340 0.023 0.000 0.280 835 L C -0.845 175.877 176.870 -0.248 0.000 1.004 835 L CA -0.054 54.681 54.840 -0.175 0.000 0.820 835 L CB 1.399 43.378 42.059 -0.132 0.000 1.247 835 L HN 0.393 nan 8.230 nan 0.000 0.416 836 I N 4.088 124.494 120.570 -0.273 0.000 2.359 836 I HA 0.473 4.657 4.170 0.023 0.000 0.294 836 I C 0.043 176.087 176.117 -0.122 0.000 0.987 836 I CA -0.218 60.868 61.300 -0.357 0.000 1.225 836 I CB 1.378 38.904 38.000 -0.790 0.000 1.366 836 I HN 0.587 nan 8.210 nan 0.000 0.466 837 T N 4.763 119.256 114.554 -0.103 0.000 2.861 837 T HA 0.708 5.072 4.350 0.023 0.000 0.287 837 T C 0.051 174.765 174.700 0.023 0.000 1.003 837 T CA -0.589 61.504 62.100 -0.011 0.000 0.977 837 T CB 2.058 70.903 68.868 -0.040 0.000 0.996 837 T HN 0.771 nan 8.240 nan 0.000 0.448 838 T N -0.839 113.760 114.554 0.075 0.000 2.896 838 T HA 0.872 5.236 4.350 0.023 0.000 0.297 838 T C -1.313 173.390 174.700 0.006 0.000 1.108 838 T CA -1.095 61.019 62.100 0.023 0.000 1.004 838 T CB 2.004 70.938 68.868 0.110 0.000 1.159 838 T HN 0.839 nan 8.240 nan 0.000 0.499 839 A N 1.408 124.143 122.820 -0.142 0.000 2.437 839 A HA 0.759 5.093 4.320 0.023 0.000 0.293 839 A C -1.412 176.000 177.584 -0.288 0.000 1.038 839 A CA -0.759 51.236 52.037 -0.071 0.000 0.708 839 A CB 0.800 19.789 19.000 -0.017 0.000 1.251 839 A HN 1.000 nan 8.150 nan 0.000 0.409 840 H N 0.190 119.309 119.070 0.083 0.000 2.821 840 H HA 0.792 5.362 4.556 0.023 0.000 0.373 840 H C 0.027 175.379 175.328 0.039 0.000 1.165 840 H CA 0.221 56.250 56.048 -0.033 0.000 1.154 840 H CB 2.167 31.849 29.762 -0.134 0.000 1.765 840 H HN 0.994 nan 8.280 nan 0.000 0.549 841 A N 1.730 124.574 122.820 0.041 0.000 2.365 841 A HA 0.449 4.783 4.320 0.023 0.000 0.318 841 A C -1.418 176.139 177.584 -0.045 0.000 1.091 841 A CA -0.696 51.419 52.037 0.130 0.000 0.763 841 A CB 1.228 20.278 19.000 0.084 0.000 1.248 841 A HN 0.602 nan 8.150 nan 0.000 0.442 842 W N 1.897 123.308 121.300 0.185 0.000 2.361 842 W HA 0.443 5.117 4.660 0.024 0.000 0.314 842 W C -0.537 175.999 176.519 0.028 0.000 1.041 842 W CA -0.092 57.354 57.345 0.169 0.000 1.241 842 W CB 1.728 31.353 29.460 0.274 0.000 1.279 842 W HN 0.791 nan 8.180 nan 0.000 0.436 843 Q N 1.898 121.826 119.800 0.214 0.000 2.451 843 Q HA 0.457 4.811 4.340 0.023 0.000 0.281 843 Q C -0.985 175.144 176.000 0.216 0.000 1.099 843 Q CA -0.899 54.990 55.803 0.145 0.000 0.806 843 Q CB 3.761 32.547 28.738 0.079 0.000 1.419 843 Q HN 0.398 nan 8.270 nan 0.000 0.427 844 H N 1.286 120.392 119.070 0.059 0.000 2.966 844 H HA 0.077 4.647 4.556 0.023 0.000 0.347 844 H C -0.981 174.378 175.328 0.052 0.000 1.048 844 H CA -0.314 55.779 56.048 0.075 0.000 1.295 844 H CB 1.408 31.225 29.762 0.092 0.000 1.744 844 H HN 0.677 nan 8.280 nan 0.000 0.513 845 Q N 2.794 122.330 119.800 -0.440 0.000 2.416 845 Q HA -0.186 4.168 4.340 0.023 0.000 0.319 845 Q C 1.025 176.967 176.000 -0.097 0.000 1.318 845 Q CA 1.609 57.228 55.803 -0.308 0.000 0.915 845 Q CB -1.697 26.802 28.738 -0.398 0.000 1.184 845 Q HN 1.155 nan 8.270 nan 0.000 0.444 846 G N -0.901 107.869 108.800 -0.049 0.000 2.155 846 G HA2 -0.401 3.573 3.960 0.023 0.000 0.257 846 G HA3 -0.401 3.573 3.960 0.023 0.000 0.257 846 G C 0.019 174.926 174.900 0.011 0.000 0.983 846 G CA 0.691 45.784 45.100 -0.011 0.000 0.676 846 G HN 0.615 nan 8.290 nan 0.000 0.528 847 K N 0.382 120.798 120.400 0.027 0.000 2.270 847 K HA 0.633 4.967 4.320 0.023 0.000 0.255 847 K C -0.187 176.430 176.600 0.028 0.000 0.936 847 K CA -0.486 55.819 56.287 0.030 0.000 0.809 847 K CB 1.243 33.769 32.500 0.043 0.000 1.131 847 K HN -0.031 nan 8.250 nan 0.000 0.427 848 T N 5.494 120.056 114.554 0.013 0.000 2.737 848 T HA 0.175 4.539 4.350 0.023 0.000 0.296 848 T C 1.197 175.845 174.700 -0.087 0.000 0.922 848 T CA -0.422 61.681 62.100 0.005 0.000 1.079 848 T CB 0.423 69.311 68.868 0.033 0.000 0.892 848 T HN 0.557 nan 8.240 nan 0.000 0.514 849 L N 2.416 123.502 121.223 -0.228 0.000 2.084 849 L HA 0.301 4.655 4.340 0.023 0.000 0.202 849 L C 0.057 176.416 176.870 -0.852 0.000 1.074 849 L CA 1.022 55.452 54.840 -0.683 0.000 0.757 849 L CB -0.041 41.250 42.059 -1.279 0.000 0.918 849 L HN 0.526 nan 8.230 nan 0.000 0.444 850 F N -1.258 118.646 119.950 -0.077 0.000 2.613 850 F HA 0.588 5.129 4.527 0.023 0.000 0.314 850 F C -0.424 175.475 175.800 0.164 0.000 1.075 850 F CA -0.838 57.069 58.000 -0.155 0.000 0.945 850 F CB 2.076 40.614 39.000 -0.770 0.000 1.310 850 F HN -0.319 nan 8.300 nan 0.000 0.467 851 I N 1.279 122.084 120.570 0.393 0.000 2.498 851 I HA 0.374 4.558 4.170 0.023 0.000 0.290 851 I C -0.917 175.466 176.117 0.443 0.000 1.032 851 I CA -0.558 60.987 61.300 0.407 0.000 1.073 851 I CB 2.277 40.428 38.000 0.252 0.000 1.251 851 I HN 0.536 nan 8.210 nan 0.000 0.426 852 S N 6.661 122.698 115.700 0.563 0.000 2.552 852 S HA 0.576 5.060 4.470 0.023 0.000 0.314 852 S C -0.755 174.071 174.600 0.376 0.000 1.099 852 S CA -0.691 57.815 58.200 0.510 0.000 1.070 852 S CB 0.712 64.340 63.200 0.714 0.000 0.998 852 S HN 0.546 nan 8.310 nan 0.000 0.474 853 R N 3.571 124.219 120.500 0.247 0.000 2.494 853 R HA 0.575 4.929 4.340 0.023 0.000 0.305 853 R C -0.697 175.665 176.300 0.103 0.000 0.959 853 R CA -0.818 55.381 56.100 0.165 0.000 0.864 853 R CB 1.837 32.209 30.300 0.120 0.000 1.159 853 R HN 0.555 nan 8.270 nan 0.000 0.446 854 K N 0.877 121.326 120.400 0.083 0.000 2.444 854 K HA 0.506 4.840 4.320 0.023 0.000 0.252 854 K C -0.711 175.856 176.600 -0.055 0.000 0.993 854 K CA -0.925 55.336 56.287 -0.044 0.000 0.847 854 K CB 2.563 35.009 32.500 -0.089 0.000 1.340 854 K HN 0.666 nan 8.250 nan 0.000 0.446 855 T N -1.568 112.867 114.554 -0.199 0.000 2.909 855 T HA 0.583 4.947 4.350 0.023 0.000 0.299 855 T C -1.406 173.136 174.700 -0.262 0.000 1.073 855 T CA -0.768 61.261 62.100 -0.117 0.000 0.999 855 T CB 0.636 69.466 68.868 -0.062 0.000 1.098 855 T HN 0.436 nan 8.240 nan 0.000 0.477 856 Y N 0.345 120.576 120.300 -0.114 0.000 2.346 856 Y HA 0.625 5.189 4.550 0.023 0.000 0.332 856 Y C 0.289 176.089 175.900 -0.167 0.000 0.985 856 Y CA -1.047 56.994 58.100 -0.098 0.000 1.112 856 Y CB 2.122 40.500 38.460 -0.136 0.000 1.170 856 Y HN 0.649 nan 8.280 nan 0.000 0.447 857 R N 4.014 124.515 120.500 0.001 0.000 2.310 857 R HA 0.670 5.024 4.340 0.023 0.000 0.324 857 R C -1.645 174.589 176.300 -0.111 0.000 0.955 857 R CA -0.620 55.442 56.100 -0.064 0.000 0.830 857 R CB 0.629 30.905 30.300 -0.041 0.000 1.154 857 R HN 0.731 nan 8.270 nan 0.000 0.458 858 I N 4.562 125.011 120.570 -0.202 0.000 2.378 858 I HA 0.208 4.392 4.170 0.023 0.000 0.291 858 I C -0.115 175.881 176.117 -0.202 0.000 0.992 858 I CA -0.425 60.681 61.300 -0.324 0.000 1.154 858 I CB 1.590 39.185 38.000 -0.674 0.000 1.315 858 I HN 0.642 nan 8.210 nan 0.000 0.448 859 D N 3.972 124.289 120.400 -0.138 0.000 2.621 859 D HA 0.306 4.960 4.640 0.023 0.000 0.255 859 D C 1.213 177.503 176.300 -0.017 0.000 1.122 859 D CA -0.761 53.201 54.000 -0.063 0.000 1.096 859 D CB 0.768 41.548 40.800 -0.034 0.000 1.282 859 D HN 0.468 nan 8.370 nan 0.000 0.619 860 G N -1.052 107.752 108.800 0.007 0.000 2.498 860 G HA2 -0.198 3.776 3.960 0.023 0.000 0.219 860 G HA3 -0.198 3.776 3.960 0.023 0.000 0.219 860 G C 1.216 176.146 174.900 0.050 0.000 1.119 860 G CA 1.226 46.350 45.100 0.039 0.000 0.766 860 G HN 0.561 nan 8.290 nan 0.000 0.552 861 S N -1.013 114.707 115.700 0.033 0.000 2.528 861 S HA 0.355 4.839 4.470 0.023 0.000 0.219 861 S C 1.889 176.546 174.600 0.094 0.000 0.985 861 S CA 0.981 59.206 58.200 0.042 0.000 0.914 861 S CB 0.014 63.227 63.200 0.022 0.000 0.776 861 S HN 1.469 nan 8.310 nan 0.000 0.526 862 G N 0.423 109.292 108.800 0.115 0.000 2.157 862 G HA2 -0.234 3.740 3.960 0.023 0.000 0.248 862 G HA3 -0.234 3.740 3.960 0.023 0.000 0.248 862 G C -0.185 174.850 174.900 0.225 0.000 0.979 862 G CA 0.085 45.330 45.100 0.241 0.000 0.650 862 G HN 0.602 nan 8.290 nan 0.000 0.529 863 Q N -0.459 119.406 119.800 0.108 0.000 2.259 863 Q HA 0.667 5.021 4.340 0.023 0.000 0.246 863 Q C 0.228 176.252 176.000 0.039 0.000 0.920 863 Q CA -0.293 55.581 55.803 0.119 0.000 0.895 863 Q CB 1.431 30.228 28.738 0.099 0.000 1.220 863 Q HN 0.424 nan 8.270 nan 0.000 0.439 864 M N 1.962 121.633 119.600 0.117 0.000 2.078 864 M HA 0.506 5.000 4.480 0.023 0.000 0.320 864 M C -1.459 174.936 176.300 0.159 0.000 0.969 864 M CA -0.503 54.825 55.300 0.048 0.000 0.929 864 M CB 1.004 33.658 32.600 0.089 0.000 1.504 864 M HN 0.684 nan 8.290 nan 0.000 0.419 865 A N 7.046 129.919 122.820 0.089 0.000 2.252 865 A HA 0.637 4.971 4.320 0.023 0.000 0.309 865 A C -0.694 176.917 177.584 0.046 0.000 1.285 865 A CA -0.605 51.484 52.037 0.087 0.000 0.900 865 A CB 0.019 19.050 19.000 0.052 0.000 1.157 865 A HN 0.920 nan 8.150 nan 0.000 0.536 866 I N 2.650 123.243 120.570 0.039 0.000 2.321 866 I HA 0.300 4.484 4.170 0.023 0.000 0.291 866 I C -0.093 175.920 176.117 -0.173 0.000 0.998 866 I CA -0.101 61.123 61.300 -0.126 0.000 1.227 866 I CB 1.783 39.742 38.000 -0.069 0.000 1.368 866 I HN 0.476 nan 8.210 nan 0.000 0.466 867 T N 5.915 120.323 114.554 -0.243 0.000 2.792 867 T HA 0.512 4.876 4.350 0.023 0.000 0.280 867 T C -0.263 174.239 174.700 -0.330 0.000 0.990 867 T CA -0.464 61.499 62.100 -0.228 0.000 0.960 867 T CB 1.823 70.657 68.868 -0.057 0.000 0.939 867 T HN 0.206 nan 8.240 nan 0.000 0.439 868 V N 3.814 123.405 119.914 -0.538 0.000 2.487 868 V HA 0.469 4.603 4.120 0.023 0.000 0.298 868 V C -0.644 175.293 176.094 -0.262 0.000 1.028 868 V CA -0.906 61.100 62.300 -0.490 0.000 0.860 868 V CB 1.903 33.136 31.823 -0.985 0.000 0.991 868 V HN 0.835 nan 8.190 nan 0.000 0.427 869 D N 3.515 123.918 120.400 0.005 0.000 2.481 869 D HA 0.543 5.197 4.640 0.023 0.000 0.246 869 D C -0.905 175.520 176.300 0.209 0.000 1.109 869 D CA -0.090 54.008 54.000 0.164 0.000 0.845 869 D CB 2.709 43.628 40.800 0.199 0.000 1.160 869 D HN 0.259 nan 8.370 nan 0.000 0.534 870 V N 2.232 122.312 119.914 0.275 0.000 2.715 870 V HA 0.323 4.457 4.120 0.023 0.000 0.310 870 V C 0.107 176.358 176.094 0.263 0.000 1.054 870 V CA -0.727 61.752 62.300 0.299 0.000 0.928 870 V CB 2.568 34.609 31.823 0.363 0.000 1.007 870 V HN 0.367 nan 8.190 nan 0.000 0.437 871 E N 2.024 122.367 120.200 0.238 0.000 2.183 871 E HA 0.640 5.004 4.350 0.023 0.000 0.271 871 E C -1.609 175.123 176.600 0.221 0.000 0.919 871 E CA -0.572 55.946 56.400 0.197 0.000 0.781 871 E CB 2.514 32.310 29.700 0.160 0.000 1.140 871 E HN 0.417 nan 8.360 nan 0.000 0.402 872 V N 2.315 122.359 119.914 0.216 0.000 2.409 872 V HA 0.337 4.471 4.120 0.023 0.000 0.290 872 V C 0.107 176.297 176.094 0.160 0.000 1.017 872 V CA -0.946 61.502 62.300 0.246 0.000 0.841 872 V CB 1.305 33.312 31.823 0.305 0.000 1.003 872 V HN 0.842 nan 8.190 nan 0.000 0.426 873 A N 3.640 126.506 122.820 0.077 0.000 2.587 873 A HA 0.243 4.577 4.320 0.023 0.000 0.235 873 A C 1.661 179.312 177.584 0.110 0.000 1.044 873 A CA 0.712 52.785 52.037 0.061 0.000 0.754 873 A CB 0.245 19.246 19.000 0.001 0.000 0.968 873 A HN 1.373 nan 8.150 nan 0.000 0.509 874 S N 1.001 116.763 115.700 0.104 0.000 2.423 874 S HA -0.147 4.337 4.470 0.023 0.000 0.231 874 S C 0.963 175.642 174.600 0.132 0.000 1.014 874 S CA 1.234 59.515 58.200 0.135 0.000 0.965 874 S CB -0.282 62.978 63.200 0.100 0.000 0.785 874 S HN 0.836 nan 8.310 nan 0.000 0.495 875 D N 0.656 121.108 120.400 0.086 0.000 2.340 875 D HA 0.088 4.742 4.640 0.023 0.000 0.220 875 D C 0.576 176.913 176.300 0.062 0.000 1.039 875 D CA 0.112 54.148 54.000 0.060 0.000 0.866 875 D CB -0.483 40.339 40.800 0.036 0.000 0.913 875 D HN 0.331 nan 8.370 nan 0.000 0.523 876 T N 1.597 116.212 114.554 0.101 0.000 2.913 876 T HA 0.355 4.719 4.350 0.023 0.000 0.287 876 T C -2.543 172.273 174.700 0.194 0.000 1.008 876 T CA -1.819 60.366 62.100 0.141 0.000 1.067 876 T CB 1.197 70.150 68.868 0.141 0.000 0.996 876 T HN -0.127 nan 8.240 nan 0.000 0.513 877 P HA 0.080 nan 4.420 nan 0.000 0.266 877 P C -0.625 176.992 177.300 0.527 0.000 1.195 877 P CA 0.080 63.287 63.100 0.177 0.000 0.768 877 P CB -0.037 31.729 31.700 0.111 0.000 0.838 878 H N 3.218 122.654 119.070 0.610 0.000 3.034 878 H HA 0.072 4.642 4.556 0.023 0.000 0.324 878 H C -1.566 174.135 175.328 0.621 0.000 1.015 878 H CA -1.337 55.024 56.048 0.520 0.000 1.429 878 H CB -0.475 29.531 29.762 0.406 0.000 1.429 878 H HN 0.387 nan 8.280 nan 0.000 0.585 879 P HA 0.003 nan 4.420 nan 0.000 0.274 879 P C 0.143 177.356 177.300 -0.145 0.000 1.237 879 P CA -0.284 62.910 63.100 0.155 0.000 0.793 879 P CB 1.047 32.688 31.700 -0.099 0.000 0.977 880 A N 2.885 125.333 122.820 -0.621 0.000 2.015 880 A HA -0.083 4.251 4.320 0.023 0.000 0.219 880 A C 1.023 178.209 177.584 -0.662 0.000 1.163 880 A CA 1.281 52.912 52.037 -0.677 0.000 0.646 880 A CB -0.536 17.854 19.000 -1.017 0.000 0.806 880 A HN 0.750 nan 8.150 nan 0.000 0.448 881 R N -2.778 117.383 120.500 -0.564 0.000 2.712 881 R HA 0.703 5.057 4.340 0.023 0.000 0.272 881 R C -1.654 174.411 176.300 -0.393 0.000 1.032 881 R CA -0.798 54.997 56.100 -0.509 0.000 0.874 881 R CB 0.746 30.724 30.300 -0.537 0.000 1.256 881 R HN -0.016 nan 8.270 nan 0.000 0.468 882 I N 1.340 121.716 120.570 -0.323 0.000 2.521 882 I HA 0.622 4.806 4.170 0.023 0.000 0.277 882 I C -0.413 175.478 176.117 -0.377 0.000 1.054 882 I CA -0.410 60.715 61.300 -0.291 0.000 1.117 882 I CB 1.700 39.600 38.000 -0.166 0.000 1.217 882 I HN 0.957 nan 8.210 nan 0.000 0.469 883 G N 5.817 114.327 108.800 -0.483 0.000 2.731 883 G HA2 0.785 4.759 3.960 0.023 0.000 0.309 883 G HA3 0.785 4.759 3.960 0.023 0.000 0.309 883 G C -1.612 173.121 174.900 -0.278 0.000 1.273 883 G CA -0.556 44.306 45.100 -0.397 0.000 0.798 883 G HN 0.255 nan 8.290 nan 0.000 0.509 884 L N 0.834 121.949 121.223 -0.179 0.000 2.333 884 L HA 0.642 4.996 4.340 0.023 0.000 0.263 884 L C -0.697 176.082 176.870 -0.152 0.000 1.014 884 L CA -1.098 53.673 54.840 -0.116 0.000 0.820 884 L CB 2.494 44.561 42.059 0.013 0.000 1.352 884 L HN 0.782 nan 8.230 nan 0.000 0.421 885 N N 0.751 119.389 118.700 -0.102 0.000 2.708 885 N HA 0.694 5.448 4.740 0.023 0.000 0.257 885 N C -1.387 174.134 175.510 0.019 0.000 1.373 885 N CA -0.465 52.551 53.050 -0.056 0.000 0.843 885 N CB 2.492 40.956 38.487 -0.039 0.000 1.503 885 N HN 0.851 nan 8.380 nan 0.000 0.504 886 C N -0.978 118.352 119.300 0.050 0.000 3.292 886 C HA 0.564 5.038 4.460 0.023 0.000 0.338 886 C C -1.251 173.583 174.990 -0.260 0.000 1.323 886 C CA -0.850 58.151 59.018 -0.028 0.000 1.232 886 C CB 1.000 28.742 27.740 0.004 0.000 1.517 886 C HN 0.850 nan 8.230 nan 0.000 0.470 887 Q N 1.468 120.917 119.800 -0.585 0.000 2.368 887 Q HA 0.654 5.008 4.340 0.023 0.000 0.263 887 Q C -1.064 174.654 176.000 -0.469 0.000 1.009 887 Q CA -0.464 54.741 55.803 -0.996 0.000 0.818 887 Q CB 0.956 28.705 28.738 -1.648 0.000 1.239 887 Q HN 0.785 nan 8.270 nan 0.000 0.464 888 L N 2.668 123.710 121.223 -0.301 0.000 2.439 888 L HA 0.221 4.575 4.340 0.023 0.000 0.269 888 L C 1.291 178.095 176.870 -0.110 0.000 1.179 888 L CA -0.098 54.685 54.840 -0.095 0.000 0.828 888 L CB 0.762 42.862 42.059 0.069 0.000 1.106 888 L HN 0.852 nan 8.230 nan 0.000 0.467 889 A N 2.215 124.998 122.820 -0.061 0.000 1.969 889 A HA -0.120 4.214 4.320 0.023 0.000 0.218 889 A C 0.982 178.549 177.584 -0.028 0.000 1.169 889 A CA 0.923 52.916 52.037 -0.073 0.000 0.635 889 A CB -0.322 18.629 19.000 -0.082 0.000 0.810 889 A HN 0.829 nan 8.150 nan 0.000 0.445 890 Q N -0.699 119.123 119.800 0.036 0.000 2.193 890 Q HA 0.572 4.926 4.340 0.023 0.000 0.246 890 Q C -1.408 174.639 176.000 0.077 0.000 0.959 890 Q CA -0.643 55.182 55.803 0.036 0.000 0.904 890 Q CB 1.583 30.340 28.738 0.031 0.000 1.238 890 Q HN 0.049 nan 8.270 nan 0.000 0.469 891 V N 1.763 121.692 119.914 0.025 0.000 2.407 891 V HA 0.741 4.875 4.120 0.023 0.000 0.291 891 V C -0.550 175.520 176.094 -0.040 0.000 1.018 891 V CA -0.380 61.961 62.300 0.068 0.000 0.842 891 V CB 0.797 32.646 31.823 0.044 0.000 0.996 891 V HN 0.900 nan 8.190 nan 0.000 0.426 892 A N 3.375 126.111 122.820 -0.140 0.000 2.322 892 A HA 0.713 5.047 4.320 0.023 0.000 0.327 892 A C 0.788 178.372 177.584 0.000 0.000 1.134 892 A CA -0.485 51.400 52.037 -0.254 0.000 0.831 892 A CB 1.106 19.688 19.000 -0.697 0.000 1.288 892 A HN 0.763 nan 8.150 nan 0.000 0.472 893 E N 0.114 120.312 120.200 -0.003 0.000 2.152 893 E HA -0.046 4.318 4.350 0.023 0.000 0.192 893 E C 0.048 176.718 176.600 0.117 0.000 0.983 893 E CA 0.787 57.221 56.400 0.056 0.000 0.818 893 E CB 0.120 29.836 29.700 0.028 0.000 0.758 893 E HN 0.424 nan 8.360 nan 0.000 0.467 894 R N 0.220 120.799 120.500 0.133 0.000 2.854 894 R HA 0.533 4.887 4.340 0.023 0.000 0.271 894 R C -0.589 175.898 176.300 0.313 0.000 0.994 894 R CA -0.859 55.355 56.100 0.191 0.000 0.945 894 R CB 1.881 32.263 30.300 0.138 0.000 1.194 894 R HN -0.186 nan 8.270 nan 0.000 0.476 895 V N 1.921 122.030 119.914 0.325 0.000 2.444 895 V HA 0.373 4.507 4.120 0.023 0.000 0.294 895 V C -0.233 176.139 176.094 0.463 0.000 1.022 895 V CA -0.888 61.643 62.300 0.386 0.000 0.850 895 V CB 1.821 33.811 31.823 0.279 0.000 0.992 895 V HN 0.634 nan 8.190 nan 0.000 0.426 896 N N 4.658 123.604 118.700 0.410 0.000 2.354 896 N HA 0.548 5.302 4.740 0.023 0.000 0.287 896 N C -1.425 174.346 175.510 0.435 0.000 1.016 896 N CA -0.415 52.854 53.050 0.365 0.000 0.871 896 N CB 2.591 41.187 38.487 0.182 0.000 1.299 896 N HN 0.823 nan 8.380 nan 0.000 0.482 897 W N 3.087 124.421 121.300 0.056 0.000 3.137 897 W HA 0.570 5.244 4.660 0.023 0.000 0.324 897 W C -2.056 174.423 176.519 -0.067 0.000 1.253 897 W CA -1.106 56.244 57.345 0.009 0.000 1.183 897 W CB 0.745 30.227 29.460 0.036 0.000 1.424 897 W HN 0.212 nan 8.180 nan 0.000 0.566 898 L N 3.921 125.130 121.223 -0.024 0.000 2.295 898 L HA 0.916 5.270 4.340 0.023 0.000 0.281 898 L C -0.002 176.672 176.870 -0.326 0.000 1.018 898 L CA 0.373 54.988 54.840 -0.375 0.000 0.841 898 L CB 0.710 42.634 42.059 -0.225 0.000 1.218 898 L HN 0.988 nan 8.230 nan 0.000 0.424 899 G N 3.788 112.249 108.800 -0.564 0.000 2.364 899 G HA2 0.228 4.202 3.960 0.023 0.000 0.286 899 G HA3 0.228 4.202 3.960 0.023 0.000 0.286 899 G C -1.647 173.251 174.900 -0.003 0.000 1.241 899 G CA -0.989 44.003 45.100 -0.179 0.000 0.887 899 G HN 0.431 nan 8.290 nan 0.000 0.484 900 L N 1.071 122.467 121.223 0.288 0.000 2.349 900 L HA 0.671 5.025 4.340 0.023 0.000 0.275 900 L C 1.008 178.012 176.870 0.224 0.000 1.115 900 L CA 0.532 55.521 54.840 0.248 0.000 0.820 900 L CB 0.734 42.882 42.059 0.149 0.000 1.135 900 L HN 1.229 nan 8.230 nan 0.000 0.445 901 G N 2.626 111.333 108.800 -0.155 0.000 2.335 901 G HA2 0.192 4.166 3.960 0.023 0.000 0.291 901 G HA3 0.192 4.166 3.960 0.023 0.000 0.291 901 G C -2.748 171.331 174.900 -1.369 0.000 1.261 901 G CA -0.250 44.445 45.100 -0.675 0.000 0.871 901 G HN 0.305 nan 8.290 nan 0.000 0.491 902 P HA 0.058 nan 4.420 nan 0.000 0.224 902 P C 0.543 177.642 177.300 -0.335 0.000 1.157 902 P CA 0.785 63.240 63.100 -1.075 0.000 0.799 902 P CB 0.357 31.581 31.700 -0.794 0.000 0.809 903 Q N 0.398 120.004 119.800 -0.322 0.000 2.318 903 Q HA 0.150 4.504 4.340 0.023 0.000 0.222 903 Q C 0.359 176.254 176.000 -0.175 0.000 1.003 903 Q CA -0.654 55.038 55.803 -0.185 0.000 0.936 903 Q CB 0.651 29.297 28.738 -0.155 0.000 1.204 903 Q HN 0.130 nan 8.270 nan 0.000 0.524 904 E N 1.222 121.325 120.200 -0.163 0.000 2.568 904 E HA -0.125 4.239 4.350 0.023 0.000 0.262 904 E C -1.129 175.392 176.600 -0.131 0.000 0.961 904 E CA 0.348 56.639 56.400 -0.181 0.000 0.945 904 E CB 0.246 29.908 29.700 -0.064 0.000 0.924 904 E HN 0.590 nan 8.360 nan 0.000 0.467 905 N N 2.487 121.035 118.700 -0.254 0.000 2.405 905 N HA 0.308 5.062 4.740 0.023 0.000 0.274 905 N C -1.884 173.393 175.510 -0.387 0.000 1.170 905 N CA -0.686 52.274 53.050 -0.150 0.000 0.848 905 N CB 0.631 39.053 38.487 -0.108 0.000 1.629 905 N HN 0.232 nan 8.380 nan 0.000 0.481 906 Y N -0.209 120.016 120.300 -0.125 0.000 2.630 906 Y HA 0.527 5.091 4.550 0.023 0.000 0.337 906 Y C -1.588 174.254 175.900 -0.096 0.000 1.051 906 Y CA -2.042 55.975 58.100 -0.138 0.000 1.121 906 Y CB 1.575 39.952 38.460 -0.138 0.000 1.299 906 Y HN 0.431 nan 8.280 nan 0.000 0.498 907 P HA -0.196 nan 4.420 nan 0.000 0.216 907 P C 0.451 177.632 177.300 -0.197 0.000 1.157 907 P CA 2.204 65.344 63.100 0.067 0.000 0.880 907 P CB 0.163 32.024 31.700 0.269 0.000 0.791 908 D N -2.175 117.884 120.400 -0.568 0.000 2.328 908 D HA -0.011 4.643 4.640 0.023 0.000 0.221 908 D C 0.780 176.937 176.300 -0.239 0.000 1.072 908 D CA 0.090 53.567 54.000 -0.871 0.000 0.850 908 D CB -0.303 39.736 40.800 -1.268 0.000 0.922 908 D HN 0.150 nan 8.370 nan 0.000 0.516 909 R N 0.932 121.393 120.500 -0.066 0.000 2.627 909 R HA 0.188 4.542 4.340 0.023 0.000 0.251 909 R C -0.472 175.870 176.300 0.070 0.000 1.524 909 R CA -0.139 55.988 56.100 0.045 0.000 1.606 909 R CB 0.050 30.386 30.300 0.060 0.000 1.396 909 R HN 0.107 nan 8.270 nan 0.000 0.724 910 L N -2.285 118.986 121.223 0.080 0.000 3.259 910 L HA 0.350 4.704 4.340 0.023 0.000 0.292 910 L C 1.437 178.381 176.870 0.124 0.000 1.219 910 L CA 0.173 55.062 54.840 0.082 0.000 1.035 910 L CB 0.142 42.237 42.059 0.061 0.000 1.424 910 L HN 0.065 nan 8.230 nan 0.000 0.603 911 T N -2.229 112.427 114.554 0.169 0.000 2.788 911 T HA -0.084 4.280 4.350 0.023 0.000 0.268 911 T C 1.824 176.613 174.700 0.147 0.000 1.044 911 T CA 1.495 63.728 62.100 0.221 0.000 1.139 911 T CB -0.480 68.569 68.868 0.302 0.000 0.867 911 T HN 0.399 nan 8.240 nan 0.000 0.454 912 A N 1.763 124.674 122.820 0.150 0.000 2.066 912 A HA 0.619 4.953 4.320 0.023 0.000 0.218 912 A C 1.643 179.325 177.584 0.163 0.000 1.157 912 A CA 0.596 52.684 52.037 0.085 0.000 0.670 912 A CB -1.004 18.158 19.000 0.269 0.000 0.804 912 A HN 0.878 nan 8.150 nan 0.000 0.453 913 A N -1.145 121.722 122.820 0.079 0.000 2.386 913 A HA 0.445 4.779 4.320 0.023 0.000 0.248 913 A C 0.027 177.656 177.584 0.075 0.000 1.082 913 A CA -0.027 52.018 52.037 0.013 0.000 0.789 913 A CB -0.094 18.901 19.000 -0.008 0.000 1.025 913 A HN 0.494 nan 8.150 nan 0.000 0.490 914 C N 0.436 119.778 119.300 0.070 0.000 2.507 914 C HA 0.530 5.004 4.460 0.023 0.000 0.319 914 C C -0.144 174.980 174.990 0.224 0.000 1.208 914 C CA -0.489 58.627 59.018 0.163 0.000 1.619 914 C CB 0.699 28.548 27.740 0.181 0.000 2.230 914 C HN 0.779 nan 8.230 nan 0.000 0.492 915 F N 3.844 123.639 119.950 -0.259 0.000 2.444 915 F HA 0.467 5.008 4.527 0.023 0.000 0.360 915 F C 0.353 175.785 175.800 -0.613 0.000 1.106 915 F CA 1.191 58.853 58.000 -0.563 0.000 1.170 915 F CB -0.077 38.006 39.000 -1.529 0.000 1.113 915 F HN 0.627 nan 8.300 nan 0.000 0.521 916 D N 3.359 123.111 120.400 -1.080 0.000 2.865 916 D HA 0.191 4.845 4.640 0.023 0.000 0.343 916 D C -1.579 173.811 176.300 -1.517 0.000 1.372 916 D CA -0.731 52.519 54.000 -1.249 0.000 0.862 916 D CB 1.529 41.470 40.800 -1.432 0.000 1.425 916 D HN 0.531 nan 8.370 nan 0.000 0.501 917 R N 0.719 120.437 120.500 -1.302 0.000 2.215 917 R HA 0.530 4.884 4.340 0.023 0.000 0.336 917 R C -1.347 174.266 176.300 -1.145 0.000 0.996 917 R CA -0.375 55.118 56.100 -1.013 0.000 0.847 917 R CB 0.298 30.265 30.300 -0.554 0.000 1.127 917 R HN 0.264 nan 8.270 nan 0.000 0.465 918 W N 2.301 123.066 121.300 -0.891 0.000 2.647 918 W HA 0.434 5.108 4.660 0.023 0.000 0.353 918 W C -0.427 175.727 176.519 -0.609 0.000 1.080 918 W CA -0.642 56.157 57.345 -0.910 0.000 1.208 918 W CB 1.566 30.035 29.460 -1.652 0.000 1.396 918 W HN 0.411 nan 8.180 nan 0.000 0.573 919 D N 1.948 122.314 120.400 -0.056 0.000 2.764 919 D HA 0.412 5.066 4.640 0.023 0.000 0.227 919 D C -1.642 174.761 176.300 0.172 0.000 1.347 919 D CA -0.180 53.883 54.000 0.105 0.000 0.953 919 D CB 0.963 41.784 40.800 0.035 0.000 1.476 919 D HN 0.381 nan 8.370 nan 0.000 0.585 920 L N 3.246 124.642 121.223 0.289 0.000 2.350 920 L HA 0.582 4.936 4.340 0.023 0.000 0.260 920 L C -2.238 174.752 176.870 0.200 0.000 1.015 920 L CA -2.166 52.812 54.840 0.229 0.000 0.821 920 L CB 2.764 44.993 42.059 0.285 0.000 1.370 920 L HN 0.190 nan 8.230 nan 0.000 0.416 921 P HA 0.005 nan 4.420 nan 0.000 0.269 921 P C 0.595 177.974 177.300 0.132 0.000 1.209 921 P CA -0.328 62.845 63.100 0.121 0.000 0.776 921 P CB 0.996 32.747 31.700 0.084 0.000 0.876 922 L N 3.472 124.778 121.223 0.139 0.000 2.081 922 L HA -0.266 4.088 4.340 0.023 0.000 0.212 922 L C 2.372 179.287 176.870 0.076 0.000 1.080 922 L CA 2.718 57.628 54.840 0.117 0.000 0.754 922 L CB -1.415 40.724 42.059 0.133 0.000 0.893 922 L HN 0.467 nan 8.230 nan 0.000 0.433 923 S N -1.741 114.005 115.700 0.077 0.000 2.399 923 S HA -0.193 4.291 4.470 0.023 0.000 0.231 923 S C 1.641 176.310 174.600 0.115 0.000 1.022 923 S CA 1.151 59.410 58.200 0.098 0.000 0.983 923 S CB -0.812 62.443 63.200 0.091 0.000 0.803 923 S HN 0.519 nan 8.310 nan 0.000 0.480 924 D N 1.441 121.886 120.400 0.075 0.000 2.309 924 D HA 0.020 4.674 4.640 0.023 0.000 0.212 924 D C 1.322 177.625 176.300 0.004 0.000 0.968 924 D CA 0.736 54.760 54.000 0.039 0.000 0.882 924 D CB -0.221 40.608 40.800 0.049 0.000 0.918 924 D HN 0.399 nan 8.370 nan 0.000 0.503 925 M N -0.474 119.136 119.600 0.017 0.000 2.563 925 M HA 0.046 4.540 4.480 0.023 0.000 0.231 925 M C 0.009 176.306 176.300 -0.006 0.000 1.136 925 M CA 0.019 55.285 55.300 -0.058 0.000 1.026 925 M CB -0.905 31.649 32.600 -0.076 0.000 1.597 925 M HN -0.030 nan 8.290 nan 0.000 0.495 926 Y N -0.196 120.059 120.300 -0.076 0.000 2.391 926 Y HA 0.499 5.063 4.550 0.024 0.000 0.341 926 Y C -0.873 174.981 175.900 -0.077 0.000 0.965 926 Y CA -0.946 57.130 58.100 -0.041 0.000 1.067 926 Y CB 1.356 39.846 38.460 0.051 0.000 1.199 926 Y HN -0.124 nan 8.280 nan 0.000 0.450 927 T N 8.954 123.026 114.554 -0.802 0.000 2.756 927 T HA 0.296 4.660 4.350 0.023 0.000 0.290 927 T C -2.727 171.232 174.700 -1.236 0.000 0.985 927 T CA -1.521 60.049 62.100 -0.883 0.000 0.955 927 T CB 1.096 69.497 68.868 -0.778 0.000 0.930 927 T HN 0.452 nan 8.240 nan 0.000 0.451 928 P HA 0.139 nan 4.420 nan 0.000 0.226 928 P C -0.663 176.504 177.300 -0.221 0.000 1.783 928 P CA -0.434 62.275 63.100 -0.651 0.000 0.980 928 P CB -0.679 30.787 31.700 -0.391 0.000 1.967 929 Y N -0.123 120.130 120.300 -0.078 0.000 2.610 929 Y HA -0.096 4.468 4.550 0.023 0.000 0.332 929 Y C 2.287 178.248 175.900 0.102 0.000 1.201 929 Y CA -0.505 57.612 58.100 0.030 0.000 1.465 929 Y CB 0.549 38.964 38.460 -0.075 0.000 1.283 929 Y HN -0.060 nan 8.280 nan 0.000 0.563 930 V N 3.291 123.427 119.914 0.370 0.000 2.324 930 V HA -0.320 3.814 4.120 0.023 0.000 0.250 930 V C 0.588 176.845 176.094 0.271 0.000 1.060 930 V CA 1.478 63.967 62.300 0.314 0.000 1.042 930 V CB -0.578 31.458 31.823 0.355 0.000 0.650 930 V HN 0.592 nan 8.190 nan 0.000 0.450 931 F N 3.240 123.242 119.950 0.087 0.000 2.335 931 F HA 0.497 5.038 4.527 0.024 0.000 0.365 931 F C -2.402 173.423 175.800 0.042 0.000 1.122 931 F CA -3.361 54.644 58.000 0.008 0.000 1.151 931 F CB 0.597 39.518 39.000 -0.133 0.000 1.282 931 F HN 0.011 nan 8.300 nan 0.000 0.513 932 P HA 0.318 nan 4.420 nan 0.000 0.272 932 P C -1.032 175.999 177.300 -0.448 0.000 1.223 932 P CA -0.028 62.866 63.100 -0.343 0.000 0.784 932 P CB 1.376 32.892 31.700 -0.308 0.000 0.923 933 S N -0.597 115.027 115.700 -0.126 0.000 2.694 933 S HA 0.411 4.895 4.470 0.023 0.000 0.273 933 S C -0.873 173.742 174.600 0.024 0.000 1.180 933 S CA -0.951 57.215 58.200 -0.056 0.000 0.864 933 S CB 0.227 63.436 63.200 0.015 0.000 1.198 933 S HN 0.338 nan 8.310 nan 0.000 0.499 934 E N 1.330 121.553 120.200 0.037 0.000 2.529 934 E HA 0.349 4.713 4.350 0.023 0.000 0.259 934 E C -0.182 176.482 176.600 0.107 0.000 0.966 934 E CA 0.783 57.228 56.400 0.074 0.000 0.937 934 E CB -0.341 29.424 29.700 0.109 0.000 0.923 934 E HN 0.757 nan 8.360 nan 0.000 0.468 935 N N 1.655 120.449 118.700 0.156 0.000 3.020 935 N HA 0.515 5.269 4.740 0.023 0.000 0.248 935 N C 0.227 175.802 175.510 0.108 0.000 1.480 935 N CA -0.605 52.574 53.050 0.214 0.000 0.874 935 N CB 0.937 39.544 38.487 0.201 0.000 1.433 935 N HN 0.659 nan 8.380 nan 0.000 0.530 936 G N -1.279 107.546 108.800 0.042 0.000 2.175 936 G HA2 -0.281 3.693 3.960 0.023 0.000 0.265 936 G HA3 -0.281 3.693 3.960 0.023 0.000 0.265 936 G C -0.172 174.472 174.900 -0.427 0.000 0.979 936 G CA 0.573 45.572 45.100 -0.169 0.000 0.663 936 G HN 0.685 nan 8.290 nan 0.000 0.533 937 L N -0.270 120.629 121.223 -0.540 0.000 2.482 937 L HA 0.664 5.018 4.340 0.023 0.000 0.273 937 L C 0.696 176.998 176.870 -0.948 0.000 1.228 937 L CA 0.416 54.695 54.840 -0.936 0.000 0.827 937 L CB 0.543 41.763 42.059 -1.399 0.000 1.099 937 L HN 0.258 nan 8.230 nan 0.000 0.494 938 R N 2.071 121.946 120.500 -1.041 0.000 2.532 938 R HA 0.496 4.850 4.340 0.023 0.000 0.297 938 R C -1.063 174.938 176.300 -0.499 0.000 0.984 938 R CA -0.278 55.363 56.100 -0.765 0.000 0.884 938 R CB 1.458 31.189 30.300 -0.948 0.000 1.182 938 R HN 0.679 nan 8.270 nan 0.000 0.442 939 C N 0.245 119.386 119.300 -0.264 0.000 2.451 939 C HA 0.739 5.213 4.460 0.023 0.000 0.391 939 C C 1.266 176.257 174.990 0.001 0.000 1.286 939 C CA 0.088 59.021 59.018 -0.141 0.000 1.935 939 C CB 1.425 29.103 27.740 -0.105 0.000 2.188 939 C HN 1.028 nan 8.230 nan 0.000 0.523 940 G N 1.679 110.489 108.800 0.016 0.000 2.305 940 G HA2 -0.188 3.786 3.960 0.023 0.000 0.287 940 G HA3 -0.188 3.786 3.960 0.023 0.000 0.287 940 G C -0.046 174.928 174.900 0.124 0.000 1.036 940 G CA 0.621 45.779 45.100 0.097 0.000 0.887 940 G HN 0.787 nan 8.290 nan 0.000 0.505 941 T N 0.048 114.559 114.554 -0.072 0.000 2.767 941 T HA 0.507 4.871 4.350 0.023 0.000 0.288 941 T C 1.335 175.735 174.700 -0.500 0.000 0.963 941 T CA -0.621 61.375 62.100 -0.174 0.000 1.019 941 T CB 1.334 70.151 68.868 -0.085 0.000 0.923 941 T HN 0.196 nan 8.240 nan 0.000 0.468 942 R N 1.656 122.072 120.500 -0.140 0.000 2.254 942 R HA 0.265 4.619 4.340 0.023 0.000 0.193 942 R C 0.576 176.877 176.300 0.002 0.000 0.929 942 R CA 0.262 56.325 56.100 -0.062 0.000 1.038 942 R CB 0.277 30.680 30.300 0.171 0.000 1.009 942 R HN 0.725 nan 8.270 nan 0.000 0.512 943 E N 0.431 120.653 120.200 0.036 0.000 2.321 943 E HA 0.317 4.681 4.350 0.023 0.000 0.281 943 E C -1.822 174.918 176.600 0.234 0.000 0.910 943 E CA -0.658 55.852 56.400 0.183 0.000 0.770 943 E CB 1.464 31.245 29.700 0.135 0.000 1.225 943 E HN -0.074 nan 8.360 nan 0.000 0.417 944 L N 4.184 125.608 121.223 0.335 0.000 2.385 944 L HA 0.613 4.967 4.340 0.023 0.000 0.273 944 L C -1.776 175.277 176.870 0.304 0.000 0.990 944 L CA -0.344 54.623 54.840 0.211 0.000 0.821 944 L CB 1.705 43.704 42.059 -0.100 0.000 1.279 944 L HN 0.502 nan 8.230 nan 0.000 0.412 945 N N 4.478 123.332 118.700 0.257 0.000 2.314 945 N HA 0.426 5.180 4.740 0.023 0.000 0.294 945 N C -1.976 173.754 175.510 0.367 0.000 1.029 945 N CA -0.316 52.886 53.050 0.253 0.000 0.845 945 N CB 2.303 40.884 38.487 0.156 0.000 1.321 945 N HN 0.605 nan 8.380 nan 0.000 0.481 946 Y N 0.881 121.309 120.300 0.214 0.000 2.287 946 Y HA 0.382 4.946 4.550 0.023 0.000 0.321 946 Y C 0.536 176.546 175.900 0.184 0.000 1.173 946 Y CA 0.209 58.440 58.100 0.219 0.000 1.124 946 Y CB 0.558 39.212 38.460 0.324 0.000 1.201 946 Y HN 0.877 nan 8.280 nan 0.000 0.421 947 G N 6.464 115.083 108.800 -0.301 0.000 2.574 947 G HA2 -0.280 3.694 3.960 0.023 0.000 0.286 947 G HA3 -0.280 3.694 3.960 0.023 0.000 0.286 947 G C -1.930 172.859 174.900 -0.183 0.000 1.212 947 G CA 0.072 44.996 45.100 -0.293 0.000 0.979 947 G HN 0.575 nan 8.290 nan 0.000 0.557 948 P HA 0.188 nan 4.420 nan 0.000 0.255 948 P C 0.097 177.206 177.300 -0.319 0.000 1.248 948 P CA 0.452 63.382 63.100 -0.283 0.000 0.807 948 P CB 0.041 31.531 31.700 -0.350 0.000 1.150 949 H N 0.518 119.529 119.070 -0.098 0.000 2.481 949 H HA 0.442 5.012 4.556 0.023 0.000 0.339 949 H C -0.101 174.959 175.328 -0.447 0.000 1.131 949 H CA 0.044 55.914 56.048 -0.297 0.000 1.301 949 H CB 1.669 31.067 29.762 -0.607 0.000 1.476 949 H HN 0.083 nan 8.280 nan 0.000 0.529 950 Q N 2.615 122.164 119.800 -0.419 0.000 2.285 950 Q HA 0.229 4.583 4.340 0.023 0.000 0.269 950 Q C -1.570 174.180 176.000 -0.417 0.000 1.030 950 Q CA -0.690 54.957 55.803 -0.260 0.000 0.788 950 Q CB 1.918 30.637 28.738 -0.031 0.000 1.266 950 Q HN 0.578 nan 8.270 nan 0.000 0.438 951 W N 4.157 125.414 121.300 -0.073 0.000 2.587 951 W HA 0.567 5.241 4.660 0.024 0.000 0.324 951 W C -0.213 176.400 176.519 0.157 0.000 1.040 951 W CA -0.763 56.512 57.345 -0.117 0.000 1.222 951 W CB 1.810 30.981 29.460 -0.482 0.000 1.381 951 W HN 0.495 nan 8.180 nan 0.000 0.483 952 R N 0.908 121.656 120.500 0.413 0.000 2.740 952 R HA 0.814 5.168 4.340 0.023 0.000 0.282 952 R C 0.243 176.831 176.300 0.479 0.000 0.969 952 R CA -0.511 55.843 56.100 0.422 0.000 0.918 952 R CB 2.352 32.802 30.300 0.251 0.000 1.175 952 R HN 0.743 nan 8.270 nan 0.000 0.464 953 G N 0.710 109.756 108.800 0.409 0.000 2.591 953 G HA2 0.001 3.975 3.960 0.023 0.000 0.104 953 G HA3 0.001 3.975 3.960 0.023 0.000 0.104 953 G C -1.752 173.242 174.900 0.156 0.000 1.097 953 G CA -0.351 44.958 45.100 0.348 0.000 1.076 953 G HN 0.495 nan 8.290 nan 0.000 0.485 954 D N 0.098 120.588 120.400 0.150 0.000 2.381 954 D HA 0.587 5.241 4.640 0.023 0.000 0.245 954 D C -0.754 175.518 176.300 -0.046 0.000 1.297 954 D CA -0.463 53.515 54.000 -0.037 0.000 0.931 954 D CB 0.210 41.040 40.800 0.050 0.000 1.334 954 D HN 0.546 nan 8.370 nan 0.000 0.535 955 F N -0.149 119.795 119.950 -0.010 0.000 2.726 955 F HA 0.719 5.260 4.527 0.023 0.000 0.324 955 F C -0.941 174.817 175.800 -0.070 0.000 1.140 955 F CA -1.025 56.908 58.000 -0.112 0.000 0.964 955 F CB 0.734 39.661 39.000 -0.122 0.000 1.399 955 F HN -0.142 nan 8.300 nan 0.000 0.491 956 Q N 1.471 121.361 119.800 0.150 0.000 2.348 956 Q HA 0.674 5.028 4.340 0.023 0.000 0.271 956 Q C -1.299 174.781 176.000 0.134 0.000 1.067 956 Q CA -0.548 55.267 55.803 0.020 0.000 0.839 956 Q CB 2.799 31.437 28.738 -0.167 0.000 1.354 956 Q HN 0.881 nan 8.270 nan 0.000 0.447 957 F N -1.218 118.615 119.950 -0.194 0.000 2.713 957 F HA 0.724 5.265 4.527 0.024 0.000 0.311 957 F C -1.696 173.885 175.800 -0.365 0.000 1.141 957 F CA -1.087 56.746 58.000 -0.278 0.000 0.939 957 F CB 1.489 40.326 39.000 -0.272 0.000 1.325 957 F HN 0.581 nan 8.300 nan 0.000 0.453 958 N N 1.647 120.139 118.700 -0.346 0.000 2.284 958 N HA 0.746 5.500 4.740 0.023 0.000 0.289 958 N C -2.012 173.423 175.510 -0.124 0.000 1.179 958 N CA -0.796 52.021 53.050 -0.388 0.000 0.774 958 N CB 2.720 41.031 38.487 -0.293 0.000 1.548 958 N HN 1.136 nan 8.380 nan 0.000 0.473 959 I N 0.181 120.679 120.570 -0.120 0.000 2.649 959 I HA 0.677 4.861 4.170 0.023 0.000 0.289 959 I C -1.488 174.547 176.117 -0.137 0.000 1.222 959 I CA 0.014 61.222 61.300 -0.154 0.000 1.046 959 I CB 1.259 39.109 38.000 -0.249 0.000 1.272 959 I HN 1.031 nan 8.210 nan 0.000 0.425 960 S N 6.123 121.756 115.700 -0.111 0.000 2.661 960 S HA 0.529 5.013 4.470 0.023 0.000 0.268 960 S C -0.169 174.331 174.600 -0.168 0.000 1.162 960 S CA -1.007 57.110 58.200 -0.139 0.000 0.817 960 S CB 1.671 64.827 63.200 -0.073 0.000 1.141 960 S HN 0.634 nan 8.310 nan 0.000 0.477 961 R N -0.150 120.077 120.500 -0.455 0.000 2.335 961 R HA 0.266 4.620 4.340 0.023 0.000 0.223 961 R C -0.873 175.167 176.300 -0.433 0.000 0.940 961 R CA 0.308 56.137 56.100 -0.452 0.000 1.086 961 R CB -1.085 28.846 30.300 -0.614 0.000 1.073 961 R HN 0.672 nan 8.270 nan 0.000 0.504 962 Y N -0.152 120.143 120.300 -0.009 0.000 2.391 962 Y HA 0.239 4.803 4.550 0.023 0.000 0.341 962 Y C 0.726 176.419 175.900 -0.345 0.000 0.965 962 Y CA -1.205 56.798 58.100 -0.161 0.000 1.067 962 Y CB 1.465 39.772 38.460 -0.256 0.000 1.199 962 Y HN -0.114 nan 8.280 nan 0.000 0.450 963 S N 1.321 116.697 115.700 -0.541 0.000 2.614 963 S HA 0.080 4.564 4.470 0.023 0.000 0.265 963 S C 0.824 175.097 174.600 -0.545 0.000 1.303 963 S CA -0.717 56.801 58.200 -1.136 0.000 1.000 963 S CB 1.128 63.375 63.200 -1.589 0.000 0.935 963 S HN 0.744 nan 8.310 nan 0.000 0.551 964 Q N 0.385 119.883 119.800 -0.504 0.000 2.170 964 Q HA -0.160 4.194 4.340 0.023 0.000 0.203 964 Q C 2.190 178.057 176.000 -0.222 0.000 0.976 964 Q CA 1.455 57.102 55.803 -0.259 0.000 0.858 964 Q CB -0.524 28.095 28.738 -0.198 0.000 0.907 964 Q HN 0.885 nan 8.270 nan 0.000 0.433 965 Q N 0.770 120.400 119.800 -0.283 0.000 2.014 965 Q HA -0.252 4.102 4.340 0.023 0.000 0.207 965 Q C 2.163 178.057 176.000 -0.176 0.000 0.993 965 Q CA 1.834 57.522 55.803 -0.191 0.000 0.850 965 Q CB -0.011 28.616 28.738 -0.186 0.000 0.916 965 Q HN 0.409 nan 8.270 nan 0.000 0.417 966 Q N -0.048 119.619 119.800 -0.222 0.000 2.096 966 Q HA -0.188 4.166 4.340 0.023 0.000 0.204 966 Q C 2.181 178.048 176.000 -0.222 0.000 0.982 966 Q CA 1.406 57.083 55.803 -0.211 0.000 0.850 966 Q CB -0.087 28.503 28.738 -0.247 0.000 0.901 966 Q HN 0.430 nan 8.270 nan 0.000 0.422 967 L N 0.328 121.420 121.223 -0.218 0.000 2.046 967 L HA -0.192 4.162 4.340 0.023 0.000 0.208 967 L C 2.679 179.422 176.870 -0.212 0.000 1.077 967 L CA 1.427 56.137 54.840 -0.217 0.000 0.747 967 L CB -0.489 41.481 42.059 -0.149 0.000 0.896 967 L HN 0.475 nan 8.230 nan 0.000 0.432 968 M N -1.655 117.852 119.600 -0.155 0.000 2.492 968 M HA -0.076 4.418 4.480 0.023 0.000 0.262 968 M C 1.364 177.595 176.300 -0.115 0.000 1.090 968 M CA 1.572 56.797 55.300 -0.125 0.000 1.110 968 M CB -0.341 32.205 32.600 -0.090 0.000 1.407 968 M HN 0.095 nan 8.290 nan 0.000 0.470 969 E N 1.071 121.199 120.200 -0.120 0.000 2.479 969 E HA 0.102 4.466 4.350 0.023 0.000 0.193 969 E C -0.459 176.087 176.600 -0.089 0.000 1.049 969 E CA 0.151 56.501 56.400 -0.084 0.000 0.870 969 E CB 0.523 30.180 29.700 -0.072 0.000 0.944 969 E HN 0.432 nan 8.360 nan 0.000 0.492 970 T N -0.325 114.139 114.554 -0.150 0.000 2.807 970 T HA 0.129 4.493 4.350 0.023 0.000 0.279 970 T C 0.889 175.484 174.700 -0.174 0.000 0.993 970 T CA -0.584 61.427 62.100 -0.149 0.000 0.970 970 T CB 1.745 70.485 68.868 -0.213 0.000 0.950 970 T HN -0.006 nan 8.240 nan 0.000 0.441 971 S N 1.296 117.005 115.700 0.015 0.000 2.503 971 S HA 0.128 4.612 4.470 0.023 0.000 0.215 971 S C 0.219 174.964 174.600 0.242 0.000 1.003 971 S CA 0.117 58.426 58.200 0.181 0.000 0.910 971 S CB -0.199 63.287 63.200 0.476 0.000 0.790 971 S HN 0.719 nan 8.310 nan 0.000 0.514 972 H N 0.972 120.078 119.070 0.060 0.000 2.600 972 H HA 0.520 5.090 4.556 0.023 0.000 0.357 972 H C 1.032 176.359 175.328 -0.001 0.000 1.106 972 H CA -0.782 55.364 56.048 0.163 0.000 1.193 972 H CB 1.523 31.408 29.762 0.205 0.000 1.594 972 H HN 0.149 nan 8.280 nan 0.000 0.526 973 R N 1.980 122.603 120.500 0.205 0.000 2.127 973 R HA -0.167 4.187 4.340 0.023 0.000 0.238 973 R C 1.203 177.527 176.300 0.042 0.000 1.134 973 R CA 1.822 57.970 56.100 0.080 0.000 0.975 973 R CB -0.455 29.927 30.300 0.138 0.000 0.865 973 R HN 0.783 nan 8.270 nan 0.000 0.447 974 H N 1.059 120.157 119.070 0.047 0.000 2.545 974 H HA 0.027 4.597 4.556 0.023 0.000 0.282 974 H C 1.379 176.644 175.328 -0.105 0.000 1.020 974 H CA 0.770 56.807 56.048 -0.019 0.000 1.243 974 H CB -0.086 29.683 29.762 0.012 0.000 1.377 974 H HN 0.328 nan 8.280 nan 0.000 0.581 975 L N 0.810 121.690 121.223 -0.572 0.000 2.607 975 L HA 0.231 4.585 4.340 0.023 0.000 0.228 975 L C 0.635 177.357 176.870 -0.247 0.000 1.123 975 L CA -0.164 54.389 54.840 -0.479 0.000 0.890 975 L CB 0.198 41.949 42.059 -0.513 0.000 1.103 975 L HN 0.053 nan 8.230 nan 0.000 0.468 976 L N 0.869 121.925 121.223 -0.277 0.000 2.452 976 L HA 0.159 4.513 4.340 0.023 0.000 0.267 976 L C 0.106 176.878 176.870 -0.163 0.000 1.188 976 L CA -0.039 54.568 54.840 -0.388 0.000 0.821 976 L CB 0.395 42.000 42.059 -0.757 0.000 1.102 976 L HN 0.199 nan 8.230 nan 0.000 0.470 977 H N 1.226 120.296 119.070 -0.000 0.000 2.771 977 H HA 0.530 5.100 4.556 0.023 0.000 0.361 977 H C -0.842 174.626 175.328 0.234 0.000 1.108 977 H CA -1.269 54.843 56.048 0.107 0.000 1.201 977 H CB 1.288 31.065 29.762 0.025 0.000 1.681 977 H HN 0.677 nan 8.280 nan 0.000 0.534 978 A N 3.670 126.653 122.820 0.271 0.000 2.545 978 A HA 0.048 4.382 4.320 0.023 0.000 0.253 978 A C 0.435 178.100 177.584 0.135 0.000 1.074 978 A CA -0.031 52.035 52.037 0.048 0.000 0.760 978 A CB -0.286 18.690 19.000 -0.039 0.000 1.005 978 A HN 0.781 nan 8.150 nan 0.000 0.506 979 E N 1.741 122.008 120.200 0.112 0.000 2.342 979 E HA 0.165 4.529 4.350 0.023 0.000 0.257 979 E C -0.018 176.633 176.600 0.086 0.000 1.150 979 E CA -0.623 55.892 56.400 0.192 0.000 0.926 979 E CB 0.750 30.654 29.700 0.339 0.000 1.074 979 E HN 0.792 nan 8.360 nan 0.000 0.449 980 E N 0.074 120.316 120.200 0.069 0.000 2.392 980 E HA 0.189 4.553 4.350 0.023 0.000 0.264 980 E C 0.367 176.928 176.600 -0.064 0.000 1.024 980 E CA 0.691 57.091 56.400 -0.000 0.000 0.903 980 E CB 0.441 30.134 29.700 -0.012 0.000 0.963 980 E HN 0.672 nan 8.360 nan 0.000 0.432 981 G N 2.587 111.348 108.800 -0.064 0.000 2.593 981 G HA2 -0.227 3.747 3.960 0.023 0.000 0.237 981 G HA3 -0.227 3.747 3.960 0.023 0.000 0.237 981 G C -0.634 174.205 174.900 -0.102 0.000 1.312 981 G CA -0.180 44.861 45.100 -0.098 0.000 0.896 981 G HN 0.603 nan 8.290 nan 0.000 0.574 982 T N 0.163 114.626 114.554 -0.153 0.000 2.937 982 T HA 0.496 4.860 4.350 0.023 0.000 0.297 982 T C -0.854 173.694 174.700 -0.253 0.000 0.991 982 T CA -0.165 61.855 62.100 -0.132 0.000 0.990 982 T CB 1.346 70.219 68.868 0.008 0.000 0.991 982 T HN 0.571 nan 8.240 nan 0.000 0.440 983 W N 3.282 124.493 121.300 -0.149 0.000 2.322 983 W HA 0.602 5.276 4.660 0.023 0.000 0.307 983 W C -0.261 176.129 176.519 -0.214 0.000 1.220 983 W CA -0.682 56.574 57.345 -0.150 0.000 1.210 983 W CB 0.756 30.141 29.460 -0.124 0.000 1.223 983 W HN 0.391 nan 8.180 nan 0.000 0.511 984 L N 5.758 126.970 121.223 -0.019 0.000 2.325 984 L HA 0.508 4.862 4.340 0.023 0.000 0.281 984 L C -0.978 175.790 176.870 -0.169 0.000 1.004 984 L CA -0.366 54.346 54.840 -0.214 0.000 0.823 984 L CB 0.782 42.557 42.059 -0.472 0.000 1.236 984 L HN 0.309 nan 8.230 nan 0.000 0.415 985 N N 6.208 124.796 118.700 -0.186 0.000 2.442 985 N HA 0.441 5.195 4.740 0.023 0.000 0.274 985 N C -1.358 174.004 175.510 -0.247 0.000 1.002 985 N CA -0.197 52.743 53.050 -0.182 0.000 0.910 985 N CB 2.511 40.922 38.487 -0.127 0.000 1.244 985 N HN 0.639 nan 8.380 nan 0.000 0.492 986 I N 1.835 122.213 120.570 -0.321 0.000 2.410 986 I HA 0.274 4.458 4.170 0.023 0.000 0.286 986 I C -1.103 174.820 176.117 -0.324 0.000 1.009 986 I CA -0.535 60.537 61.300 -0.380 0.000 1.111 986 I CB 0.861 38.440 38.000 -0.703 0.000 1.262 986 I HN 0.225 nan 8.210 nan 0.000 0.443 987 D N 4.970 125.217 120.400 -0.254 0.000 2.192 987 D HA 0.326 4.980 4.640 0.023 0.000 0.246 987 D C 0.794 176.785 176.300 -0.516 0.000 1.042 987 D CA -0.250 53.532 54.000 -0.364 0.000 0.847 987 D CB 2.288 42.984 40.800 -0.174 0.000 1.186 987 D HN 0.696 nan 8.370 nan 0.000 0.461 988 G N 1.093 109.260 108.800 -1.056 0.000 2.394 988 G HA2 -0.030 3.944 3.960 0.023 0.000 0.215 988 G HA3 -0.030 3.944 3.960 0.023 0.000 0.215 988 G C 0.110 174.246 174.900 -1.275 0.000 1.165 988 G CA 0.631 44.966 45.100 -1.274 0.000 0.784 988 G HN 0.386 nan 8.290 nan 0.000 0.535 989 F N -2.183 117.581 119.950 -0.308 0.000 2.601 989 F HA 0.595 5.136 4.527 0.023 0.000 0.309 989 F C -0.546 175.171 175.800 -0.138 0.000 1.089 989 F CA -1.142 56.763 58.000 -0.158 0.000 0.940 989 F CB 2.165 41.015 39.000 -0.250 0.000 1.273 989 F HN 0.027 nan 8.300 nan 0.000 0.450 990 H N 1.732 120.822 119.070 0.034 0.000 2.806 990 H HA 0.536 5.106 4.556 0.023 0.000 0.367 990 H C -0.783 174.578 175.328 0.054 0.000 1.136 990 H CA -0.868 55.172 56.048 -0.012 0.000 1.178 990 H CB 1.879 31.622 29.762 -0.031 0.000 1.718 990 H HN 0.757 nan 8.280 nan 0.000 0.540 991 M N 3.075 122.606 119.600 -0.116 0.000 2.248 991 M HA 0.259 4.753 4.480 0.023 0.000 0.337 991 M C 0.484 176.892 176.300 0.180 0.000 1.121 991 M CA 0.270 55.580 55.300 0.018 0.000 1.155 991 M CB 0.314 32.831 32.600 -0.140 0.000 1.514 991 M HN 0.854 nan 8.290 nan 0.000 0.452 992 G N 3.008 111.899 108.800 0.152 0.000 2.664 992 G HA2 0.274 4.248 3.960 0.023 0.000 0.242 992 G HA3 0.274 4.248 3.960 0.023 0.000 0.242 992 G C 0.685 175.576 174.900 -0.015 0.000 1.225 992 G CA -0.471 44.654 45.100 0.041 0.000 0.849 992 G HN 0.974 nan 8.290 nan 0.000 0.581 993 I N -0.985 119.536 120.570 -0.082 0.000 3.228 993 I HA 0.351 4.535 4.170 0.023 0.000 0.279 993 I C 1.297 177.360 176.117 -0.091 0.000 1.221 993 I CA 0.523 61.739 61.300 -0.140 0.000 1.458 993 I CB -0.725 37.103 38.000 -0.287 0.000 1.105 993 I HN 0.900 nan 8.210 nan 0.000 0.445 994 G N 1.526 110.290 108.800 -0.061 0.000 2.601 994 G HA2 -0.005 3.969 3.960 0.023 0.000 0.252 994 G HA3 -0.005 3.969 3.960 0.023 0.000 0.252 994 G C 0.594 175.500 174.900 0.010 0.000 1.294 994 G CA 0.213 45.314 45.100 0.002 0.000 0.912 994 G HN 1.411 nan 8.290 nan 0.000 0.574 995 G N -2.409 106.410 108.800 0.031 0.000 2.370 995 G HA2 0.013 3.987 3.960 0.023 0.000 0.174 995 G HA3 0.013 3.987 3.960 0.023 0.000 0.174 995 G C 0.653 175.608 174.900 0.092 0.000 1.002 995 G CA 0.877 46.002 45.100 0.043 0.000 0.730 995 G HN 0.992 nan 8.290 nan 0.000 0.497 996 D N 1.242 121.719 120.400 0.128 0.000 2.172 996 D HA 0.065 4.719 4.640 0.023 0.000 0.196 996 D C 1.077 177.425 176.300 0.080 0.000 0.999 996 D CA 2.186 56.325 54.000 0.232 0.000 0.856 996 D CB 0.099 41.045 40.800 0.243 0.000 0.934 996 D HN 0.829 nan 8.370 nan 0.000 0.453 997 D N -3.535 116.707 120.400 -0.265 0.000 2.626 997 D HA 0.381 5.035 4.640 0.023 0.000 0.278 997 D C -0.655 175.192 176.300 -0.756 0.000 1.211 997 D CA -0.733 52.697 54.000 -0.949 0.000 0.903 997 D CB 1.033 40.669 40.800 -1.940 0.000 1.408 997 D HN -0.294 nan 8.370 nan 0.000 0.454 998 S N -0.743 114.397 115.700 -0.933 0.000 2.663 998 S HA 0.206 4.690 4.470 0.023 0.000 0.243 998 S C -0.490 174.081 174.600 -0.048 0.000 1.009 998 S CA -0.669 57.406 58.200 -0.208 0.000 0.988 998 S CB -0.402 62.936 63.200 0.230 0.000 0.896 998 S HN 0.622 nan 8.310 nan 0.000 0.502 999 W N 1.656 122.875 121.300 -0.134 0.000 2.407 999 W HA 0.613 5.287 4.660 0.022 0.000 0.370 999 W C -0.061 176.387 176.519 -0.119 0.000 0.928 999 W CA -0.671 56.574 57.345 -0.166 0.000 2.005 999 W CB -0.589 28.703 29.460 -0.281 0.000 1.171 999 W HN 0.135 nan 8.180 nan 0.000 0.572 1000 S N -1.430 114.135 115.700 -0.225 0.000 2.587 1000 S HA 0.600 5.084 4.470 0.023 0.000 0.269 1000 S C -3.185 171.350 174.600 -0.109 0.000 1.154 1000 S CA -1.636 56.485 58.200 -0.132 0.000 0.824 1000 S CB 1.548 64.688 63.200 -0.100 0.000 1.118 1000 S HN -0.199 nan 8.310 nan 0.000 0.462 1001 P HA 0.241 nan 4.420 nan 0.000 0.267 1001 P C 0.364 177.707 177.300 0.071 0.000 1.209 1001 P CA -0.073 63.038 63.100 0.019 0.000 0.763 1001 P CB 0.693 32.297 31.700 -0.161 0.000 0.816 1002 S N 0.782 116.563 115.700 0.136 0.000 2.847 1002 S HA 0.151 4.635 4.470 0.023 0.000 0.254 1002 S C 0.193 174.878 174.600 0.142 0.000 1.039 1002 S CA -0.308 57.944 58.200 0.088 0.000 1.113 1002 S CB -0.277 62.925 63.200 0.003 0.000 1.092 1002 S HN 0.117 nan 8.310 nan 0.000 0.620 1003 V N 2.782 122.823 119.914 0.213 0.000 2.488 1003 V HA 0.399 4.533 4.120 0.023 0.000 0.277 1003 V C 0.830 177.071 176.094 0.245 0.000 1.046 1003 V CA -0.306 62.100 62.300 0.177 0.000 0.986 1003 V CB 1.102 32.973 31.823 0.080 0.000 0.989 1003 V HN 0.514 nan 8.190 nan 0.000 0.475 1004 S N 3.860 119.719 115.700 0.266 0.000 2.573 1004 S HA 0.254 4.738 4.470 0.023 0.000 0.277 1004 S C 1.550 176.300 174.600 0.251 0.000 1.346 1004 S CA 0.101 58.458 58.200 0.262 0.000 1.034 1004 S CB 1.070 64.458 63.200 0.313 0.000 0.879 1004 S HN 1.000 nan 8.310 nan 0.000 0.528 1005 A N 3.343 126.265 122.820 0.169 0.000 1.948 1005 A HA -0.153 4.181 4.320 0.023 0.000 0.220 1005 A C 2.016 179.638 177.584 0.063 0.000 1.177 1005 A CA 1.868 53.988 52.037 0.139 0.000 0.636 1005 A CB -0.637 18.422 19.000 0.097 0.000 0.815 1005 A HN 0.951 nan 8.150 nan 0.000 0.449 1006 E N -0.835 119.341 120.200 -0.041 0.000 2.418 1006 E HA -0.108 4.256 4.350 0.023 0.000 0.197 1006 E C 0.967 177.318 176.600 -0.416 0.000 1.026 1006 E CA 0.735 56.985 56.400 -0.250 0.000 0.862 1006 E CB -0.470 28.995 29.700 -0.392 0.000 0.799 1006 E HN 0.682 nan 8.360 nan 0.000 0.518 1007 F N 1.268 121.269 119.950 0.086 0.000 2.695 1007 F HA 0.242 4.783 4.527 0.023 0.000 0.303 1007 F C 1.034 176.872 175.800 0.062 0.000 1.091 1007 F CA -0.382 57.668 58.000 0.084 0.000 1.300 1007 F CB 0.399 39.449 39.000 0.084 0.000 1.071 1007 F HN -0.182 nan 8.300 nan 0.000 0.578 1008 Q N 1.292 121.204 119.800 0.187 0.000 2.259 1008 Q HA 0.368 4.722 4.340 0.023 0.000 0.246 1008 Q C -0.231 175.808 176.000 0.064 0.000 0.920 1008 Q CA -0.403 55.484 55.803 0.141 0.000 0.895 1008 Q CB 1.615 30.530 28.738 0.295 0.000 1.220 1008 Q HN 0.242 nan 8.270 nan 0.000 0.439 1009 L N 2.404 123.647 121.223 0.034 0.000 2.422 1009 L HA 0.128 4.482 4.340 0.023 0.000 0.256 1009 L C 0.675 177.514 176.870 -0.052 0.000 1.202 1009 L CA -0.085 54.759 54.840 0.007 0.000 1.119 1009 L CB -0.292 41.662 42.059 -0.175 0.000 1.383 1009 L HN 0.702 nan 8.230 nan 0.000 0.411 1010 S N -0.916 114.659 115.700 -0.209 0.000 2.554 1010 S HA 0.139 4.623 4.470 0.023 0.000 0.226 1010 S C 1.658 176.174 174.600 -0.139 0.000 0.980 1010 S CA 0.199 58.103 58.200 -0.493 0.000 0.939 1010 S CB 0.717 63.470 63.200 -0.745 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.486 1011 A N 1.459 124.228 122.820 -0.086 0.000 2.125 1011 A HA 0.430 4.764 4.320 0.023 0.000 0.219 1011 A C 2.100 179.528 177.584 -0.259 0.000 1.156 1011 A CA 1.346 53.202 52.037 -0.301 0.000 0.671 1011 A CB -1.283 17.311 19.000 -0.678 0.000 0.794 1011 A HN 1.498 nan 8.150 nan 0.000 0.459 1012 G N -1.287 107.470 108.800 -0.072 0.000 2.900 1012 G HA2 -0.293 3.681 3.960 0.023 0.000 0.223 1012 G HA3 -0.293 3.681 3.960 0.023 0.000 0.223 1012 G C 0.462 175.365 174.900 0.005 0.000 1.293 1012 G CA 0.354 45.464 45.100 0.017 0.000 0.792 1012 G HN 0.673 nan 8.290 nan 0.000 0.527 1013 R N -0.121 120.264 120.500 -0.192 0.000 2.480 1013 R HA 0.672 5.026 4.340 0.023 0.000 0.306 1013 R C -1.461 174.612 176.300 -0.379 0.000 0.958 1013 R CA -0.521 55.507 56.100 -0.119 0.000 0.861 1013 R CB 1.330 31.595 30.300 -0.058 0.000 1.171 1013 R HN 0.294 nan 8.270 nan 0.000 0.445 1014 Y N 0.486 120.789 120.300 0.005 0.000 2.499 1014 Y HA 0.354 4.918 4.550 0.023 0.000 0.347 1014 Y C -0.305 175.756 175.900 0.269 0.000 0.987 1014 Y CA -0.831 57.253 58.100 -0.026 0.000 1.044 1014 Y CB 2.121 40.439 38.460 -0.237 0.000 1.245 1014 Y HN 0.565 nan 8.280 nan 0.000 0.461 1015 H N 2.678 122.039 119.070 0.484 0.000 2.771 1015 H HA 0.574 5.144 4.556 0.023 0.000 0.361 1015 H C -1.779 173.924 175.328 0.625 0.000 1.108 1015 H CA -0.950 55.351 56.048 0.423 0.000 1.201 1015 H CB 1.139 31.047 29.762 0.244 0.000 1.681 1015 H HN 0.583 nan 8.280 nan 0.000 0.534 1016 Y N 1.908 122.021 120.300 -0.312 0.000 2.597 1016 Y HA 0.463 5.027 4.550 0.023 0.000 0.340 1016 Y C -1.875 173.806 175.900 -0.364 0.000 1.097 1016 Y CA -1.120 56.850 58.100 -0.217 0.000 1.037 1016 Y CB 1.554 39.971 38.460 -0.072 0.000 1.305 1016 Y HN 0.737 nan 8.280 nan 0.000 0.463 1017 Q N 3.426 123.218 119.800 -0.013 0.000 2.289 1017 Q HA 0.748 5.102 4.340 0.023 0.000 0.270 1017 Q C -2.238 173.849 176.000 0.145 0.000 1.038 1017 Q CA -0.976 54.814 55.803 -0.022 0.000 0.812 1017 Q CB 3.021 31.774 28.738 0.025 0.000 1.300 1017 Q HN 0.900 nan 8.270 nan 0.000 0.427 1018 L N 1.364 122.660 121.223 0.122 0.000 2.388 1018 L HA 0.775 5.129 4.340 0.023 0.000 0.264 1018 L C -0.781 176.210 176.870 0.203 0.000 0.998 1018 L CA -1.381 53.577 54.840 0.197 0.000 0.817 1018 L CB 2.381 44.536 42.059 0.160 0.000 1.338 1018 L HN 0.449 nan 8.230 nan 0.000 0.414 1019 V N 0.886 120.946 119.914 0.243 0.000 2.409 1019 V HA 0.390 4.524 4.120 0.023 0.000 0.291 1019 V C -1.124 175.151 176.094 0.301 0.000 1.020 1019 V CA -0.373 62.073 62.300 0.243 0.000 0.848 1019 V CB 2.061 34.000 31.823 0.193 0.000 0.990 1019 V HN 0.622 nan 8.190 nan 0.000 0.430 1020 W N 6.960 128.335 121.300 0.125 0.000 2.478 1020 W HA 0.713 5.387 4.660 0.024 0.000 0.318 1020 W C -0.183 176.349 176.519 0.022 0.000 1.062 1020 W CA -1.069 56.277 57.345 0.001 0.000 1.210 1020 W CB 1.451 30.979 29.460 0.114 0.000 1.325 1020 W HN 0.876 nan 8.180 nan 0.000 0.496 1021 C N 3.406 122.983 119.300 0.461 0.000 3.335 1021 C HA 0.724 5.198 4.460 0.023 0.000 0.356 1021 C C -0.596 174.537 174.990 0.239 0.000 1.570 1021 C CA -0.897 58.311 59.018 0.317 0.000 1.271 1021 C CB 1.518 29.374 27.740 0.193 0.000 1.873 1021 C HN 0.711 nan 8.230 nan 0.000 0.439 1022 Q N 1.400 121.279 119.800 0.130 0.000 2.282 1022 Q HA 0.661 5.015 4.340 0.023 0.000 0.260 1022 Q C -0.738 175.267 176.000 0.009 0.000 0.964 1022 Q CA -0.260 55.563 55.803 0.033 0.000 0.880 1022 Q CB 1.326 30.053 28.738 -0.019 0.000 1.286 1022 Q HN 0.790 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.379 120.400 -0.035 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.023 0.000 0.191 1023 K CA 0.000 56.268 56.287 -0.031 0.000 0.838 1023 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543