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 3dyo_1_C 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 ANIETNGMVP 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 0.000 176.098 176.300 -0.336 0.000 0.893 13 R CA 0.000 55.976 56.100 -0.206 0.000 0.921 13 R CB 0.000 30.182 30.300 -0.197 0.000 0.687 14 R N 1.734 121.919 120.500 -0.525 0.000 3.322 14 R HA -0.170 4.186 4.340 0.027 0.000 0.253 14 R C -0.290 175.486 176.300 -0.873 0.000 0.987 14 R CA 0.849 56.231 56.100 -1.197 0.000 0.666 14 R CB -1.352 28.369 30.300 -0.965 0.000 1.072 14 R HN 0.296 nan 8.270 nan 0.000 0.447 15 D N -0.178 119.920 120.400 -0.503 0.000 2.264 15 D HA -0.158 4.498 4.640 0.027 0.000 0.208 15 D C 1.577 177.801 176.300 -0.126 0.000 0.966 15 D CA 1.554 55.340 54.000 -0.356 0.000 0.864 15 D CB -0.108 40.291 40.800 -0.668 0.000 0.933 15 D HN 0.720 nan 8.370 nan 0.000 0.499 16 W N 1.218 122.526 121.300 0.013 0.000 3.292 16 W HA 0.211 4.887 4.660 0.026 0.000 0.263 16 W C 0.503 177.113 176.519 0.152 0.000 1.318 16 W CA -0.314 57.147 57.345 0.193 0.000 1.663 16 W CB -0.235 29.387 29.460 0.270 0.000 1.114 16 W HN -0.194 nan 8.180 nan 0.000 0.706 17 E N 1.284 121.324 120.200 -0.267 0.000 2.989 17 E HA 0.048 4.414 4.350 0.027 0.000 0.207 17 E C -0.620 175.828 176.600 -0.252 0.000 0.989 17 E CA -0.229 56.055 56.400 -0.194 0.000 1.186 17 E CB -0.152 29.424 29.700 -0.207 0.000 1.141 17 E HN 0.042 nan 8.360 nan 0.000 0.454 18 N N 1.026 119.611 118.700 -0.191 0.000 2.599 18 N HA 0.129 4.885 4.740 0.027 0.000 0.283 18 N C -2.478 172.885 175.510 -0.246 0.000 1.160 18 N CA -1.957 50.941 53.050 -0.252 0.000 0.869 18 N CB 1.486 39.836 38.487 -0.228 0.000 1.448 18 N HN -0.194 nan 8.380 nan 0.000 0.535 19 P HA 0.128 nan 4.420 nan 0.000 0.242 19 P C 0.991 178.050 177.300 -0.402 0.000 1.197 19 P CA 0.416 63.196 63.100 -0.535 0.000 0.765 19 P CB 0.048 30.959 31.700 -1.313 0.000 0.936 20 G N -0.481 108.132 108.800 -0.312 0.000 2.683 20 G HA2 0.072 4.048 3.960 0.027 0.000 0.213 20 G HA3 0.072 4.048 3.960 0.027 0.000 0.213 20 G C 0.241 175.060 174.900 -0.135 0.000 1.142 20 G CA 0.187 45.154 45.100 -0.222 0.000 0.793 20 G HN 0.198 nan 8.290 nan 0.000 0.534 21 V N 1.757 121.609 119.914 -0.102 0.000 2.326 21 V HA 0.323 4.459 4.120 0.027 0.000 0.281 21 V C 0.745 176.891 176.094 0.086 0.000 1.015 21 V CA 0.068 62.358 62.300 -0.017 0.000 0.823 21 V CB 1.238 33.033 31.823 -0.047 0.000 1.009 21 V HN 0.302 nan 8.190 nan 0.000 0.436 22 T N 0.625 115.228 114.554 0.081 0.000 3.044 22 T HA 0.423 4.789 4.350 0.027 0.000 0.260 22 T C 0.162 174.913 174.700 0.085 0.000 1.019 22 T CA -0.060 62.098 62.100 0.096 0.000 0.921 22 T CB 0.219 69.095 68.868 0.013 0.000 1.053 22 T HN 0.726 nan 8.240 nan 0.000 0.533 23 Q N 0.159 120.065 119.800 0.177 0.000 2.848 23 Q HA 0.635 4.991 4.340 0.027 0.000 0.288 23 Q C -2.309 173.839 176.000 0.246 0.000 0.907 23 Q CA -1.025 54.876 55.803 0.163 0.000 0.792 23 Q CB 0.684 29.433 28.738 0.019 0.000 1.534 23 Q HN 0.205 nan 8.270 nan 0.000 0.419 24 L N 1.841 123.239 121.223 0.292 0.000 2.476 24 L HA 0.593 4.949 4.340 0.027 0.000 0.269 24 L C -0.632 176.382 176.870 0.240 0.000 0.965 24 L CA -0.831 54.184 54.840 0.292 0.000 0.845 24 L CB 1.859 44.207 42.059 0.482 0.000 1.259 24 L HN 0.862 nan 8.230 nan 0.000 0.403 25 N N 0.932 119.736 118.700 0.174 0.000 2.800 25 N HA -0.205 4.551 4.740 0.027 0.000 0.250 25 N C 0.215 175.824 175.510 0.165 0.000 1.078 25 N CA 0.838 53.976 53.050 0.147 0.000 0.804 25 N CB -0.794 37.734 38.487 0.068 0.000 1.135 25 N HN 0.651 nan 8.380 nan 0.000 0.565 26 R N 1.067 121.598 120.500 0.052 0.000 2.438 26 R HA 0.375 4.731 4.340 0.027 0.000 0.287 26 R C 0.520 176.699 176.300 -0.202 0.000 1.077 26 R CA -0.342 55.576 56.100 -0.302 0.000 1.034 26 R CB 0.506 30.593 30.300 -0.355 0.000 0.993 26 R HN 0.128 nan 8.270 nan 0.000 0.459 27 L N 3.087 124.161 121.223 -0.249 0.000 2.464 27 L HA 0.272 4.628 4.340 0.027 0.000 0.264 27 L C 0.718 177.536 176.870 -0.087 0.000 1.199 27 L CA -0.470 54.307 54.840 -0.104 0.000 0.818 27 L CB 0.618 42.645 42.059 -0.053 0.000 1.102 27 L HN 0.761 nan 8.230 nan 0.000 0.473 28 A N 1.359 124.169 122.820 -0.018 0.000 2.483 28 A HA 0.480 4.815 4.320 0.027 0.000 0.238 28 A C 0.341 177.925 177.584 -0.001 0.000 1.070 28 A CA 0.044 52.077 52.037 -0.007 0.000 0.770 28 A CB 0.119 19.140 19.000 0.036 0.000 1.008 28 A HN 0.803 nan 8.150 nan 0.000 0.497 29 A N 1.387 124.157 122.820 -0.082 0.000 2.332 29 A HA 0.683 5.019 4.320 0.027 0.000 0.258 29 A C 0.139 177.620 177.584 -0.171 0.000 1.087 29 A CA 0.488 52.391 52.037 -0.224 0.000 0.802 29 A CB -0.040 18.838 19.000 -0.203 0.000 1.042 29 A HN 1.821 nan 8.150 nan 0.000 0.489 30 H N -2.279 116.633 119.070 -0.264 0.000 2.887 30 H HA 0.663 5.235 4.556 0.027 0.000 0.290 30 H C -3.363 171.697 175.328 -0.446 0.000 1.429 30 H CA -1.814 54.028 56.048 -0.344 0.000 1.137 30 H CB 0.078 29.528 29.762 -0.520 0.000 1.824 30 H HN 0.389 nan 8.280 nan 0.000 0.520 31 P HA 0.250 nan 4.420 nan 0.000 0.276 31 P C -2.620 174.545 177.300 -0.224 0.000 1.261 31 P CA -1.632 61.285 63.100 -0.306 0.000 0.800 31 P CB -0.227 31.220 31.700 -0.421 0.000 1.066 32 P HA 0.034 nan 4.420 nan 0.000 0.260 32 P C -0.780 176.728 177.300 0.347 0.000 1.185 32 P CA 1.165 64.310 63.100 0.075 0.000 0.763 32 P CB -0.202 31.572 31.700 0.123 0.000 0.776 33 F N 1.457 121.499 119.950 0.153 0.000 2.538 33 F HA 0.597 5.140 4.527 0.027 0.000 0.325 33 F C 0.999 176.725 175.800 -0.124 0.000 1.066 33 F CA -1.059 56.976 58.000 0.059 0.000 0.946 33 F CB 2.172 41.168 39.000 -0.007 0.000 1.199 33 F HN 0.208 nan 8.300 nan 0.000 0.473 34 A N 0.491 123.219 122.820 -0.155 0.000 2.606 34 A HA 0.246 4.582 4.320 0.027 0.000 0.230 34 A C 0.603 177.879 177.584 -0.514 0.000 1.279 34 A CA 0.379 52.084 52.037 -0.552 0.000 1.010 34 A CB -0.054 18.127 19.000 -1.364 0.000 1.271 34 A HN 0.761 nan 8.150 nan 0.000 0.584 35 S N 0.399 115.920 115.700 -0.297 0.000 3.524 35 S HA -0.144 4.342 4.470 0.027 0.000 0.377 35 S C -0.036 174.502 174.600 -0.103 0.000 0.949 35 S CA 0.406 58.494 58.200 -0.186 0.000 1.264 35 S CB -1.584 61.508 63.200 -0.180 0.000 0.918 35 S HN 0.473 nan 8.310 nan 0.000 0.517 36 W N 1.723 123.004 121.300 -0.031 0.000 2.170 36 W HA 0.276 4.952 4.660 0.026 0.000 0.336 36 W C 1.286 177.787 176.519 -0.030 0.000 1.283 36 W CA -0.601 56.732 57.345 -0.019 0.000 1.224 36 W CB 0.294 29.743 29.460 -0.019 0.000 1.132 36 W HN 0.322 nan 8.180 nan 0.000 0.571 37 R N 1.899 122.535 120.500 0.227 0.000 2.546 37 R HA 0.095 4.451 4.340 0.027 0.000 0.320 37 R C -0.124 176.239 176.300 0.105 0.000 1.021 37 R CA -0.175 55.998 56.100 0.121 0.000 1.088 37 R CB -0.353 29.988 30.300 0.069 0.000 1.278 37 R HN 0.353 nan 8.270 nan 0.000 0.557 38 N N -0.037 118.738 118.700 0.126 0.000 2.454 38 N HA 0.110 4.866 4.740 0.027 0.000 0.291 38 N C -0.069 175.413 175.510 -0.048 0.000 1.079 38 N CA -0.002 53.071 53.050 0.037 0.000 0.893 38 N CB 1.783 40.292 38.487 0.038 0.000 1.512 38 N HN -0.242 nan 8.380 nan 0.000 0.497 39 S N 2.109 117.764 115.700 -0.075 0.000 2.382 39 S HA -0.109 4.377 4.470 0.027 0.000 0.228 39 S C 1.374 175.812 174.600 -0.270 0.000 1.027 39 S CA 0.839 58.953 58.200 -0.142 0.000 0.991 39 S CB 0.063 63.218 63.200 -0.074 0.000 0.823 39 S HN 0.600 nan 8.310 nan 0.000 0.469 40 E N 1.235 121.297 120.200 -0.230 0.000 2.110 40 E HA -0.099 4.267 4.350 0.027 0.000 0.193 40 E C 2.146 178.527 176.600 -0.365 0.000 0.988 40 E CA 0.797 57.023 56.400 -0.291 0.000 0.804 40 E CB -0.210 29.378 29.700 -0.187 0.000 0.745 40 E HN 0.476 nan 8.360 nan 0.000 0.458 41 E N 0.349 120.346 120.200 -0.338 0.000 2.077 41 E HA -0.137 4.229 4.350 0.027 0.000 0.193 41 E C 1.989 177.966 176.600 -1.038 0.000 0.989 41 E CA 1.022 57.165 56.400 -0.428 0.000 0.800 41 E CB -0.258 29.338 29.700 -0.173 0.000 0.746 41 E HN 0.208 nan 8.360 nan 0.000 0.452 42 A N 1.663 123.656 122.820 -1.379 0.000 1.902 42 A HA -0.195 4.140 4.320 0.027 0.000 0.217 42 A C 2.233 179.183 177.584 -1.057 0.000 1.181 42 A CA 1.634 52.515 52.037 -1.927 0.000 0.623 42 A CB -0.530 17.901 19.000 -0.948 0.000 0.818 42 A HN 0.127 nan 8.150 nan 0.000 0.443 43 R N -0.235 119.836 120.500 -0.716 0.000 2.091 43 R HA -0.143 4.213 4.340 0.027 0.000 0.238 43 R C 1.964 177.962 176.300 -0.503 0.000 1.136 43 R CA 2.105 57.824 56.100 -0.635 0.000 0.959 43 R CB -0.429 29.367 30.300 -0.840 0.000 0.856 43 R HN 0.639 nan 8.270 nan 0.000 0.437 44 T N -2.854 111.431 114.554 -0.449 0.000 3.107 44 T HA 0.046 4.412 4.350 0.027 0.000 0.249 44 T C 0.244 174.836 174.700 -0.179 0.000 1.096 44 T CA 0.482 62.417 62.100 -0.275 0.000 1.012 44 T CB 0.101 68.837 68.868 -0.220 0.000 0.977 44 T HN 0.357 nan 8.240 nan 0.000 0.527 45 D N 0.695 120.941 120.400 -0.257 0.000 2.800 45 D HA -0.154 4.502 4.640 0.027 0.000 0.232 45 D C 0.037 176.444 176.300 0.178 0.000 1.137 45 D CA 0.431 54.437 54.000 0.009 0.000 0.718 45 D CB -1.166 39.690 40.800 0.093 0.000 1.084 45 D HN 0.586 nan 8.370 nan 0.000 0.432 46 R N 0.066 120.644 120.500 0.130 0.000 2.546 46 R HA 0.533 4.888 4.340 0.027 0.000 0.266 46 R C -2.057 174.506 176.300 0.438 0.000 1.086 46 R CA -1.505 54.726 56.100 0.218 0.000 1.160 46 R CB 0.374 30.741 30.300 0.112 0.000 1.138 46 R HN 0.045 nan 8.270 nan 0.000 0.567 47 P HA -0.067 nan 4.420 nan 0.000 0.266 47 P C -0.804 176.665 177.300 0.281 0.000 1.193 47 P CA 0.235 63.475 63.100 0.234 0.000 0.770 47 P CB 0.681 32.467 31.700 0.144 0.000 0.836 48 S N 1.505 117.257 115.700 0.087 0.000 2.451 48 S HA 0.160 4.646 4.470 0.027 0.000 0.301 48 S C 0.962 175.581 174.600 0.031 0.000 1.116 48 S CA -0.483 57.685 58.200 -0.053 0.000 1.093 48 S CB 0.611 63.453 63.200 -0.598 0.000 1.017 48 S HN 0.301 nan 8.310 nan 0.000 0.482 49 Q N 2.337 122.196 119.800 0.097 0.000 2.437 49 Q HA -0.051 4.305 4.340 0.027 0.000 0.210 49 Q C 0.903 177.032 176.000 0.215 0.000 0.972 49 Q CA 1.043 56.934 55.803 0.147 0.000 0.903 49 Q CB 0.029 28.858 28.738 0.153 0.000 0.967 49 Q HN 0.656 nan 8.270 nan 0.000 0.486 50 Q N -0.434 119.413 119.800 0.077 0.000 2.319 50 Q HA 0.159 4.515 4.340 0.027 0.000 0.202 50 Q C -0.805 175.241 176.000 0.076 0.000 0.896 50 Q CA 0.181 55.989 55.803 0.008 0.000 0.942 50 Q CB 0.706 29.345 28.738 -0.165 0.000 1.083 50 Q HN 0.087 nan 8.270 nan 0.000 0.510 51 L N 0.678 121.962 121.223 0.101 0.000 2.377 51 L HA 0.460 4.816 4.340 0.027 0.000 0.270 51 L C -1.209 175.749 176.870 0.147 0.000 0.991 51 L CA -0.376 54.525 54.840 0.102 0.000 0.851 51 L CB 1.041 43.069 42.059 -0.053 0.000 1.218 51 L HN -0.111 nan 8.230 nan 0.000 0.420 52 R N 2.486 123.107 120.500 0.203 0.000 2.589 52 R HA 0.603 4.959 4.340 0.027 0.000 0.293 52 R C -0.540 175.781 176.300 0.036 0.000 0.963 52 R CA -0.723 55.435 56.100 0.097 0.000 0.905 52 R CB 2.030 32.341 30.300 0.020 0.000 1.144 52 R HN 0.656 nan 8.270 nan 0.000 0.459 53 S N 1.986 117.696 115.700 0.017 0.000 2.525 53 S HA 0.278 4.764 4.470 0.027 0.000 0.278 53 S C 0.538 175.133 174.600 -0.008 0.000 1.234 53 S CA -0.620 57.581 58.200 0.003 0.000 1.058 53 S CB 0.525 63.737 63.200 0.020 0.000 0.983 53 S HN 0.550 nan 8.310 nan 0.000 0.495 54 L N 3.645 124.861 121.223 -0.012 0.000 2.818 54 L HA 0.317 4.673 4.340 0.027 0.000 0.243 54 L C 0.187 177.187 176.870 0.215 0.000 1.185 54 L CA -0.409 54.444 54.840 0.021 0.000 0.988 54 L CB -0.237 41.778 42.059 -0.073 0.000 1.292 54 L HN 0.503 nan 8.230 nan 0.000 0.519 55 N N 1.220 119.998 118.700 0.130 0.000 2.415 55 N HA 0.495 5.251 4.740 0.027 0.000 0.248 55 N C 0.661 176.294 175.510 0.205 0.000 1.271 55 N CA 1.024 54.161 53.050 0.145 0.000 0.913 55 N CB 1.191 39.700 38.487 0.037 0.000 1.129 55 N HN 0.289 nan 8.380 nan 0.000 0.444 56 G N 0.172 109.108 108.800 0.227 0.000 2.247 56 G HA2 -0.087 3.889 3.960 0.027 0.000 0.229 56 G HA3 -0.087 3.889 3.960 0.027 0.000 0.229 56 G C -1.505 173.599 174.900 0.339 0.000 1.345 56 G CA -0.794 44.437 45.100 0.218 0.000 1.100 56 G HN 0.468 nan 8.290 nan 0.000 0.473 57 E N 0.040 120.411 120.200 0.286 0.000 2.259 57 E HA 0.452 4.818 4.350 0.027 0.000 0.281 57 E C -0.898 175.964 176.600 0.436 0.000 1.037 57 E CA -0.103 56.487 56.400 0.316 0.000 0.854 57 E CB 0.967 30.772 29.700 0.175 0.000 1.051 57 E HN 0.353 nan 8.360 nan 0.000 0.409 58 W N 1.656 123.049 121.300 0.155 0.000 2.894 58 W HA 0.408 5.084 4.660 0.027 0.000 0.345 58 W C 0.136 176.785 176.519 0.217 0.000 1.152 58 W CA -0.705 56.763 57.345 0.206 0.000 1.089 58 W CB 0.778 30.417 29.460 0.298 0.000 1.454 58 W HN 0.184 nan 8.180 nan 0.000 0.589 59 R N 1.378 122.160 120.500 0.470 0.000 2.532 59 R HA 0.612 4.968 4.340 0.027 0.000 0.295 59 R C -1.567 174.992 176.300 0.431 0.000 0.968 59 R CA -0.916 55.396 56.100 0.354 0.000 0.916 59 R CB 1.425 31.878 30.300 0.254 0.000 1.124 59 R HN 0.467 nan 8.270 nan 0.000 0.463 60 F N 0.404 120.406 119.950 0.087 0.000 2.608 60 F HA 0.628 5.171 4.527 0.027 0.000 0.309 60 F C -1.595 174.052 175.800 -0.255 0.000 1.103 60 F CA -0.600 57.308 58.000 -0.154 0.000 0.954 60 F CB 1.979 40.788 39.000 -0.318 0.000 1.267 60 F HN 0.629 nan 8.300 nan 0.000 0.444 61 A N 4.315 126.321 122.820 -1.356 0.000 2.449 61 A HA 0.613 4.949 4.320 0.027 0.000 0.302 61 A C -2.421 174.153 177.584 -1.684 0.000 1.048 61 A CA -0.547 50.788 52.037 -1.170 0.000 0.708 61 A CB 0.846 19.474 19.000 -0.620 0.000 1.274 61 A HN 0.935 nan 8.150 nan 0.000 0.410 62 W N 2.457 122.902 121.300 -1.425 0.000 2.469 62 W HA 0.752 5.428 4.660 0.026 0.000 0.320 62 W C -1.822 174.079 176.519 -1.030 0.000 1.086 62 W CA -0.372 56.308 57.345 -1.108 0.000 1.211 62 W CB 1.086 30.169 29.460 -0.628 0.000 1.298 62 W HN 0.495 nan 8.180 nan 0.000 0.525 63 F N 6.064 125.319 119.950 -1.159 0.000 2.588 63 F HA 0.389 4.932 4.527 0.026 0.000 0.314 63 F C -1.329 173.546 175.800 -1.541 0.000 1.069 63 F CA -2.229 55.201 58.000 -0.950 0.000 0.931 63 F CB 1.827 40.436 39.000 -0.652 0.000 1.260 63 F HN 0.193 nan 8.300 nan 0.000 0.465 64 P HA 0.137 nan 4.420 nan 0.000 0.227 64 P C -0.381 176.775 177.300 -0.241 0.000 1.161 64 P CA 0.820 63.620 63.100 -0.499 0.000 0.788 64 P CB 0.721 32.423 31.700 0.004 0.000 0.822 65 A N -0.685 122.010 122.820 -0.208 0.000 2.608 65 A HA 0.520 4.856 4.320 0.027 0.000 0.292 65 A C -2.426 175.053 177.584 -0.175 0.000 1.066 65 A CA -0.999 50.968 52.037 -0.116 0.000 0.676 65 A CB 0.439 19.437 19.000 -0.003 0.000 1.277 65 A HN -0.290 nan 8.150 nan 0.000 0.413 66 P HA -0.107 nan 4.420 nan 0.000 0.218 66 P C 0.645 177.845 177.300 -0.166 0.000 1.149 66 P CA 1.481 64.447 63.100 -0.223 0.000 0.817 66 P CB 0.221 31.748 31.700 -0.288 0.000 0.785 67 E N 0.052 120.213 120.200 -0.065 0.000 2.409 67 E HA -0.011 4.355 4.350 0.027 0.000 0.198 67 E C 1.890 178.422 176.600 -0.114 0.000 1.024 67 E CA 0.975 57.348 56.400 -0.045 0.000 0.861 67 E CB -0.799 28.913 29.700 0.020 0.000 0.788 67 E HN 0.245 nan 8.360 nan 0.000 0.521 68 A N 0.339 123.056 122.820 -0.172 0.000 2.275 68 A HA 0.143 4.479 4.320 0.027 0.000 0.212 68 A C 0.524 177.803 177.584 -0.508 0.000 1.201 68 A CA -0.205 51.725 52.037 -0.178 0.000 0.843 68 A CB 0.335 19.331 19.000 -0.006 0.000 0.873 68 A HN 0.037 nan 8.150 nan 0.000 0.492 69 V N 3.204 122.704 119.914 -0.690 0.000 2.432 69 V HA 0.217 4.353 4.120 0.027 0.000 0.271 69 V C -2.134 173.625 176.094 -0.559 0.000 1.046 69 V CA -1.607 60.037 62.300 -1.094 0.000 0.945 69 V CB 0.837 32.064 31.823 -0.993 0.000 0.992 69 V HN 0.314 nan 8.190 nan 0.000 0.471 70 P HA 0.184 nan 4.420 nan 0.000 0.271 70 P C 0.292 177.534 177.300 -0.097 0.000 1.216 70 P CA -0.238 62.755 63.100 -0.179 0.000 0.776 70 P CB 1.177 32.832 31.700 -0.074 0.000 0.881 71 E N 1.068 121.225 120.200 -0.072 0.000 2.204 71 E HA -0.128 4.238 4.350 0.027 0.000 0.194 71 E C 1.910 178.479 176.600 -0.052 0.000 0.989 71 E CA 1.381 57.740 56.400 -0.067 0.000 0.824 71 E CB -0.751 28.912 29.700 -0.061 0.000 0.756 71 E HN 0.551 nan 8.360 nan 0.000 0.477 72 S N -0.482 115.208 115.700 -0.016 0.000 2.419 72 S HA -0.214 4.272 4.470 0.027 0.000 0.235 72 S C 1.889 176.491 174.600 0.002 0.000 1.019 72 S CA 0.904 59.100 58.200 -0.007 0.000 0.982 72 S CB -0.824 62.386 63.200 0.016 0.000 0.789 72 S HN 0.535 nan 8.310 nan 0.000 0.490 73 W N 2.427 123.632 121.300 -0.159 0.000 2.350 73 W HA 0.000 4.676 4.660 0.026 0.000 0.289 73 W C 1.618 178.016 176.519 -0.202 0.000 1.215 73 W CA 1.002 58.247 57.345 -0.166 0.000 1.236 73 W CB -0.358 28.981 29.460 -0.202 0.000 1.130 73 W HN 0.273 nan 8.180 nan 0.000 0.541 74 L N 0.234 121.194 121.223 -0.438 0.000 2.131 74 L HA -0.152 4.204 4.340 0.027 0.000 0.210 74 L C 2.116 178.735 176.870 -0.418 0.000 1.092 74 L CA 1.410 55.851 54.840 -0.666 0.000 0.759 74 L CB -0.628 41.083 42.059 -0.579 0.000 0.903 74 L HN 0.026 nan 8.230 nan 0.000 0.435 75 E N -1.934 118.115 120.200 -0.252 0.000 2.490 75 E HA 0.101 4.467 4.350 0.027 0.000 0.209 75 E C -0.115 176.410 176.600 -0.126 0.000 0.971 75 E CA 0.070 56.377 56.400 -0.155 0.000 0.988 75 E CB 1.172 30.817 29.700 -0.091 0.000 1.029 75 E HN 0.278 nan 8.360 nan 0.000 0.496 76 C N 1.574 120.799 119.300 -0.125 0.000 2.686 76 C HA 0.280 4.756 4.460 0.027 0.000 0.318 76 C C -0.754 174.223 174.990 -0.022 0.000 1.160 76 C CA -0.980 58.001 59.018 -0.062 0.000 1.396 76 C CB 1.047 28.772 27.740 -0.025 0.000 1.924 76 C HN 0.233 nan 8.230 nan 0.000 0.471 77 D N 3.136 123.538 120.400 0.002 0.000 2.583 77 D HA 0.136 4.792 4.640 0.027 0.000 0.232 77 D C -0.176 176.191 176.300 0.112 0.000 1.128 77 D CA 0.640 54.683 54.000 0.071 0.000 0.859 77 D CB 0.596 41.430 40.800 0.057 0.000 1.169 77 D HN 0.556 nan 8.370 nan 0.000 0.481 78 L N 6.055 127.392 121.223 0.190 0.000 2.360 78 L HA 0.201 4.557 4.340 0.027 0.000 0.276 78 L C -1.230 175.695 176.870 0.091 0.000 1.121 78 L CA -1.485 53.444 54.840 0.149 0.000 0.845 78 L CB 1.023 43.180 42.059 0.164 0.000 1.143 78 L HN 0.510 nan 8.230 nan 0.000 0.452 79 P HA -0.171 nan 4.420 nan 0.000 0.216 79 P C 0.714 178.037 177.300 0.039 0.000 1.150 79 P CA 1.135 64.263 63.100 0.047 0.000 0.837 79 P CB 0.222 31.944 31.700 0.036 0.000 0.786 80 E N -0.477 119.740 120.200 0.029 0.000 2.516 80 E HA 0.139 4.505 4.350 0.027 0.000 0.199 80 E C 0.958 177.560 176.600 0.003 0.000 1.069 80 E CA 0.108 56.514 56.400 0.009 0.000 0.876 80 E CB -0.655 29.034 29.700 -0.020 0.000 0.843 80 E HN 0.209 nan 8.360 nan 0.000 0.530 81 A N 1.101 123.934 122.820 0.021 0.000 2.327 81 A HA 0.184 4.520 4.320 0.027 0.000 0.255 81 A C 0.005 177.636 177.584 0.079 0.000 1.099 81 A CA -0.335 51.712 52.037 0.017 0.000 0.801 81 A CB 0.393 19.433 19.000 0.067 0.000 1.062 81 A HN -0.040 nan 8.150 nan 0.000 0.496 82 D N -0.573 119.908 120.400 0.136 0.000 2.340 82 D HA 0.523 5.179 4.640 0.027 0.000 0.243 82 D C -0.663 175.753 176.300 0.193 0.000 0.988 82 D CA 0.021 54.125 54.000 0.173 0.000 0.959 82 D CB 1.454 42.416 40.800 0.269 0.000 1.226 82 D HN 0.397 nan 8.370 nan 0.000 0.509 83 T N 0.471 115.120 114.554 0.158 0.000 2.767 83 T HA 0.524 4.890 4.350 0.027 0.000 0.288 83 T C 0.151 174.943 174.700 0.153 0.000 0.963 83 T CA -0.570 61.632 62.100 0.170 0.000 1.019 83 T CB 0.812 69.754 68.868 0.123 0.000 0.923 83 T HN 0.273 nan 8.240 nan 0.000 0.468 84 V N 0.950 120.988 119.914 0.206 0.000 3.160 84 V HA 0.799 4.935 4.120 0.027 0.000 0.310 84 V C -0.376 175.839 176.094 0.201 0.000 1.181 84 V CA -1.075 61.304 62.300 0.133 0.000 1.047 84 V CB 1.630 33.544 31.823 0.151 0.000 1.068 84 V HN 0.528 nan 8.190 nan 0.000 0.441 85 V N 1.686 121.691 119.914 0.152 0.000 2.649 85 V HA 0.580 4.716 4.120 0.027 0.000 0.292 85 V C -0.057 176.120 176.094 0.139 0.000 1.055 85 V CA -0.035 62.355 62.300 0.150 0.000 1.023 85 V CB 1.371 33.252 31.823 0.095 0.000 0.992 85 V HN 0.763 nan 8.190 nan 0.000 0.480 86 V N 6.602 126.512 119.914 -0.006 0.000 2.686 86 V HA 0.438 4.574 4.120 0.027 0.000 0.306 86 V C -2.425 173.550 176.094 -0.198 0.000 1.065 86 V CA -1.601 60.553 62.300 -0.244 0.000 0.894 86 V CB 2.562 33.877 31.823 -0.846 0.000 1.004 86 V HN 0.752 nan 8.190 nan 0.000 0.424 87 P HA 0.468 nan 4.420 nan 0.000 0.277 87 P C -0.760 176.463 177.300 -0.129 0.000 1.240 87 P CA -0.064 62.908 63.100 -0.213 0.000 0.798 87 P CB 1.399 32.982 31.700 -0.196 0.000 0.979 88 S N 0.611 116.244 115.700 -0.113 0.000 2.615 88 S HA 0.429 4.915 4.470 0.027 0.000 0.268 88 S C -1.239 173.287 174.600 -0.123 0.000 1.146 88 S CA -1.019 57.104 58.200 -0.128 0.000 0.818 88 S CB 0.509 63.594 63.200 -0.192 0.000 1.111 88 S HN 0.329 nan 8.310 nan 0.000 0.465 89 N N 0.971 119.536 118.700 -0.224 0.000 2.419 89 N HA 0.449 5.205 4.740 0.027 0.000 0.277 89 N C 0.450 175.773 175.510 -0.313 0.000 1.006 89 N CA -0.799 52.088 53.050 -0.272 0.000 0.923 89 N CB 0.708 39.010 38.487 -0.309 0.000 1.140 89 N HN 0.855 nan 8.380 nan 0.000 0.488 90 W N 2.198 123.350 121.300 -0.246 0.000 2.465 90 W HA -0.002 4.674 4.660 0.027 0.000 0.268 90 W C 1.040 177.520 176.519 -0.065 0.000 1.242 90 W CA 0.548 57.745 57.345 -0.247 0.000 1.248 90 W CB -0.347 28.964 29.460 -0.249 0.000 1.118 90 W HN 0.498 nan 8.180 nan 0.000 0.587 91 Q N 0.576 120.363 119.800 -0.021 0.000 2.170 91 Q HA -0.130 4.226 4.340 0.027 0.000 0.203 91 Q C 2.138 178.091 176.000 -0.077 0.000 0.976 91 Q CA 1.921 57.711 55.803 -0.023 0.000 0.858 91 Q CB -0.509 28.090 28.738 -0.231 0.000 0.907 91 Q HN 0.261 nan 8.270 nan 0.000 0.433 92 M N -0.935 118.578 119.600 -0.146 0.000 2.562 92 M HA -0.040 4.456 4.480 0.027 0.000 0.257 92 M C 0.571 176.932 176.300 0.102 0.000 1.099 92 M CA 1.312 56.553 55.300 -0.098 0.000 1.099 92 M CB -0.499 32.023 32.600 -0.130 0.000 1.427 92 M HN 0.364 nan 8.290 nan 0.000 0.489 93 H N -0.819 118.274 119.070 0.039 0.000 2.549 93 H HA 0.296 4.869 4.556 0.027 0.000 0.279 93 H C 1.229 176.440 175.328 -0.194 0.000 1.018 93 H CA 0.078 56.123 56.048 -0.007 0.000 1.175 93 H CB 0.453 30.306 29.762 0.152 0.000 1.485 93 H HN 0.547 nan 8.280 nan 0.000 0.543 94 G N 0.661 109.464 108.800 0.006 0.000 2.143 94 G HA2 -0.375 3.601 3.960 0.027 0.000 0.249 94 G HA3 -0.375 3.601 3.960 0.027 0.000 0.249 94 G C 0.397 175.164 174.900 -0.221 0.000 0.981 94 G CA 0.424 45.456 45.100 -0.114 0.000 0.665 94 G HN 0.493 nan 8.290 nan 0.000 0.528 95 Y N 1.515 121.826 120.300 0.017 0.000 2.242 95 Y HA 0.233 4.799 4.550 0.027 0.000 0.291 95 Y C 1.704 177.347 175.900 -0.427 0.000 1.137 95 Y CA 1.618 59.606 58.100 -0.186 0.000 1.181 95 Y CB 0.204 38.616 38.460 -0.081 0.000 0.989 95 Y HN 0.653 nan 8.280 nan 0.000 0.527 96 D N -2.104 118.346 120.400 0.084 0.000 2.713 96 D HA 0.455 5.111 4.640 0.027 0.000 0.306 96 D C -1.270 175.110 176.300 0.133 0.000 1.299 96 D CA -0.819 53.213 54.000 0.054 0.000 0.823 96 D CB 0.684 41.606 40.800 0.204 0.000 1.353 96 D HN -0.056 nan 8.370 nan 0.000 0.447 97 A N 0.023 122.931 122.820 0.147 0.000 2.331 97 A HA 0.691 5.027 4.320 0.027 0.000 0.283 97 A C -2.334 175.290 177.584 0.066 0.000 1.142 97 A CA -1.149 50.961 52.037 0.122 0.000 0.812 97 A CB 0.092 19.224 19.000 0.220 0.000 1.074 97 A HN 0.514 nan 8.150 nan 0.000 0.497 98 P HA 0.440 nan 4.420 nan 0.000 0.278 98 P C -0.898 176.565 177.300 0.271 0.000 1.238 98 P CA 0.063 63.104 63.100 -0.098 0.000 0.794 98 P CB 0.812 32.155 31.700 -0.594 0.000 0.955 99 I N 2.350 123.179 120.570 0.431 0.000 2.436 99 I HA 0.244 4.430 4.170 0.027 0.000 0.289 99 I C -0.612 175.661 176.117 0.260 0.000 1.010 99 I CA -0.961 60.570 61.300 0.384 0.000 1.098 99 I CB 1.692 39.859 38.000 0.278 0.000 1.266 99 I HN 0.282 nan 8.210 nan 0.000 0.434 100 Y N 6.387 126.582 120.300 -0.176 0.000 2.491 100 Y HA 0.513 5.078 4.550 0.026 0.000 0.334 100 Y C -0.207 175.524 175.900 -0.282 0.000 0.969 100 Y CA -0.391 57.337 58.100 -0.621 0.000 1.241 100 Y CB 1.037 38.592 38.460 -1.509 0.000 1.105 100 Y HN 0.535 nan 8.280 nan 0.000 0.503 101 T N 4.948 118.957 114.554 -0.908 0.000 2.893 101 T HA 0.263 4.629 4.350 0.027 0.000 0.293 101 T C 0.172 174.376 174.700 -0.827 0.000 1.027 101 T CA -0.613 61.010 62.100 -0.796 0.000 0.988 101 T CB 1.171 69.819 68.868 -0.368 0.000 1.043 101 T HN 0.740 nan 8.240 nan 0.000 0.461 102 N N 2.686 120.963 118.700 -0.706 0.000 2.288 102 N HA 0.051 4.807 4.740 0.027 0.000 0.199 102 N C 1.574 176.868 175.510 -0.361 0.000 1.043 102 N CA 1.566 54.349 53.050 -0.445 0.000 0.947 102 N CB -0.669 37.581 38.487 -0.395 0.000 1.140 102 N HN 0.393 nan 8.380 nan 0.000 0.490 103 V N 0.420 120.104 119.914 -0.383 0.000 2.436 103 V HA 0.095 4.231 4.120 0.027 0.000 0.240 103 V C 0.467 176.344 176.094 -0.362 0.000 1.040 103 V CA 0.964 63.043 62.300 -0.367 0.000 1.052 103 V CB -0.780 30.826 31.823 -0.361 0.000 0.707 103 V HN 0.340 nan 8.190 nan 0.000 0.469 104 T N 0.759 115.137 114.554 -0.293 0.000 2.902 104 T HA 0.142 4.508 4.350 0.027 0.000 0.301 104 T C -0.341 174.234 174.700 -0.208 0.000 1.012 104 T CA 0.217 62.194 62.100 -0.205 0.000 1.151 104 T CB -0.128 68.645 68.868 -0.159 0.000 0.946 104 T HN 0.175 nan 8.240 nan 0.000 0.542 105 Y N 4.414 124.621 120.300 -0.154 0.000 2.578 105 Y HA 0.096 4.662 4.550 0.026 0.000 0.339 105 Y C -0.721 175.057 175.900 -0.205 0.000 1.231 105 Y CA -1.494 56.500 58.100 -0.177 0.000 1.461 105 Y CB 0.478 38.823 38.460 -0.192 0.000 1.323 105 Y HN 0.516 nan 8.280 nan 0.000 0.590 106 P HA -0.006 nan 4.420 nan 0.000 0.241 106 P C -0.346 176.740 177.300 -0.356 0.000 1.191 106 P CA 1.073 64.073 63.100 -0.166 0.000 0.771 106 P CB 0.045 31.697 31.700 -0.080 0.000 0.929 107 I N -5.016 115.314 120.570 -0.400 0.000 2.892 107 I HA 0.501 4.687 4.170 0.027 0.000 0.306 107 I C -0.562 175.421 176.117 -0.224 0.000 1.078 107 I CA -1.194 59.839 61.300 -0.446 0.000 1.032 107 I CB 1.805 39.369 38.000 -0.726 0.000 1.229 107 I HN -0.458 nan 8.210 nan 0.000 0.435 108 T N 3.054 117.520 114.554 -0.146 0.000 2.908 108 T HA 0.117 4.483 4.350 0.027 0.000 0.301 108 T C 0.233 174.915 174.700 -0.029 0.000 1.019 108 T CA -0.204 61.862 62.100 -0.057 0.000 1.152 108 T CB 0.500 69.358 68.868 -0.017 0.000 0.966 108 T HN 0.388 nan 8.240 nan 0.000 0.540 109 V N 4.971 124.878 119.914 -0.012 0.000 2.390 109 V HA 0.188 4.324 4.120 0.027 0.000 0.260 109 V C 0.738 176.875 176.094 0.071 0.000 1.043 109 V CA -0.028 62.280 62.300 0.014 0.000 1.047 109 V CB -0.316 31.495 31.823 -0.020 0.000 1.066 109 V HN 0.891 nan 8.190 nan 0.000 0.481 110 N N 6.131 124.932 118.700 0.168 0.000 2.679 110 N HA 0.233 4.989 4.740 0.027 0.000 0.240 110 N C -2.929 172.642 175.510 0.100 0.000 1.537 110 N CA -1.156 51.974 53.050 0.134 0.000 0.793 110 N CB 1.380 39.986 38.487 0.199 0.000 1.391 110 N HN 0.272 nan 8.380 nan 0.000 0.524 111 P HA 0.175 nan 4.420 nan 0.000 0.266 111 P C -2.273 174.795 177.300 -0.387 0.000 1.195 111 P CA -0.652 61.995 63.100 -0.756 0.000 0.768 111 P CB 0.519 31.644 31.700 -0.959 0.000 0.838 112 P HA 0.237 nan 4.420 nan 0.000 0.266 112 P C -0.489 176.638 177.300 -0.290 0.000 1.561 112 P CA -0.318 62.532 63.100 -0.417 0.000 1.089 112 P CB -0.022 31.421 31.700 -0.427 0.000 1.534 113 F N 0.968 121.001 119.950 0.137 0.000 2.380 113 F HA 0.320 4.863 4.527 0.027 0.000 0.325 113 F C 1.370 177.337 175.800 0.279 0.000 1.136 113 F CA -0.736 57.369 58.000 0.175 0.000 1.171 113 F CB 0.979 40.033 39.000 0.090 0.000 1.230 113 F HN -0.198 nan 8.300 nan 0.000 0.554 114 V N -0.732 119.457 119.914 0.459 0.000 3.113 114 V HA 0.707 4.843 4.120 0.027 0.000 0.316 114 V C -2.756 173.502 176.094 0.273 0.000 1.125 114 V CA -2.809 59.691 62.300 0.333 0.000 1.026 114 V CB 1.367 33.448 31.823 0.430 0.000 1.080 114 V HN 0.469 nan 8.190 nan 0.000 0.444 115 P HA 0.224 nan 4.420 nan 0.000 0.269 115 P C 0.999 178.443 177.300 0.240 0.000 1.215 115 P CA 0.476 63.671 63.100 0.159 0.000 0.780 115 P CB 0.586 32.348 31.700 0.103 0.000 0.898 116 T N -2.205 112.460 114.554 0.186 0.000 2.904 116 T HA -0.053 4.313 4.350 0.027 0.000 0.267 116 T C 0.494 175.305 174.700 0.185 0.000 1.059 116 T CA 0.762 62.975 62.100 0.189 0.000 1.137 116 T CB -0.503 68.441 68.868 0.127 0.000 0.879 116 T HN 0.375 nan 8.240 nan 0.000 0.467 117 E N 2.613 122.921 120.200 0.180 0.000 1.996 117 E HA 0.277 4.643 4.350 0.027 0.000 0.280 117 E C -0.812 175.947 176.600 0.265 0.000 1.092 117 E CA -0.390 56.123 56.400 0.187 0.000 0.862 117 E CB 0.257 30.074 29.700 0.194 0.000 1.066 117 E HN 0.262 nan 8.360 nan 0.000 0.396 118 N N 4.640 123.470 118.700 0.216 0.000 2.573 118 N HA 0.238 4.994 4.740 0.027 0.000 0.262 118 N C -2.861 172.689 175.510 0.067 0.000 1.029 118 N CA -2.527 50.688 53.050 0.275 0.000 0.882 118 N CB 1.132 39.791 38.487 0.285 0.000 1.204 118 N HN 0.044 nan 8.380 nan 0.000 0.519 119 P HA 0.004 nan 4.420 nan 0.000 0.260 119 P C -0.872 176.343 177.300 -0.142 0.000 1.172 119 P CA 0.547 63.604 63.100 -0.071 0.000 0.760 119 P CB 0.376 32.359 31.700 0.470 0.000 0.773 120 T N 2.791 116.987 114.554 -0.597 0.000 2.812 120 T HA 0.550 4.916 4.350 0.027 0.000 0.282 120 T C 0.257 174.478 174.700 -0.797 0.000 0.990 120 T CA -0.587 61.231 62.100 -0.469 0.000 0.960 120 T CB 1.561 70.189 68.868 -0.400 0.000 0.948 120 T HN 0.334 nan 8.240 nan 0.000 0.438 121 G N 1.016 109.442 108.800 -0.624 0.000 2.335 121 G HA2 0.475 4.451 3.960 0.027 0.000 0.314 121 G HA3 0.475 4.451 3.960 0.027 0.000 0.314 121 G C -0.293 174.416 174.900 -0.319 0.000 1.129 121 G CA -0.349 44.310 45.100 -0.735 0.000 0.912 121 G HN 0.862 nan 8.290 nan 0.000 0.443 122 C N 3.370 122.222 119.300 -0.747 0.000 2.225 122 C HA 0.478 4.954 4.460 0.027 0.000 0.323 122 C C -0.557 174.375 174.990 -0.097 0.000 1.164 122 C CA -0.924 57.781 59.018 -0.521 0.000 1.565 122 C CB -1.668 25.358 27.740 -1.190 0.000 2.124 122 C HN 0.636 nan 8.230 nan 0.000 0.461 123 Y N 1.969 122.536 120.300 0.445 0.000 2.387 123 Y HA 0.659 5.225 4.550 0.027 0.000 0.330 123 Y C 0.798 177.148 175.900 0.750 0.000 1.133 123 Y CA -0.204 58.286 58.100 0.650 0.000 1.152 123 Y CB 1.480 40.332 38.460 0.653 0.000 1.215 123 Y HN 0.662 nan 8.280 nan 0.000 0.466 124 S N 1.962 118.147 115.700 0.808 0.000 2.570 124 S HA 0.821 5.307 4.470 0.027 0.000 0.270 124 S C -1.968 172.668 174.600 0.060 0.000 1.149 124 S CA -0.808 57.625 58.200 0.390 0.000 0.837 124 S CB 2.163 65.502 63.200 0.231 0.000 1.124 124 S HN 0.619 nan 8.310 nan 0.000 0.465 125 L N 0.720 121.807 121.223 -0.226 0.000 2.513 125 L HA 0.727 5.083 4.340 0.027 0.000 0.261 125 L C -1.204 175.622 176.870 -0.073 0.000 0.945 125 L CA 0.120 54.698 54.840 -0.436 0.000 0.848 125 L CB 2.324 43.629 42.059 -1.256 0.000 1.334 125 L HN 0.934 nan 8.230 nan 0.000 0.407 126 T N 5.411 119.948 114.554 -0.027 0.000 2.758 126 T HA 0.753 5.119 4.350 0.027 0.000 0.285 126 T C -0.795 173.960 174.700 0.092 0.000 0.981 126 T CA -0.046 62.069 62.100 0.026 0.000 0.965 126 T CB 0.327 69.174 68.868 -0.036 0.000 0.927 126 T HN 0.463 nan 8.240 nan 0.000 0.448 127 F N 0.723 120.581 119.950 -0.154 0.000 2.685 127 F HA 0.725 5.268 4.527 0.027 0.000 0.315 127 F C -0.871 174.857 175.800 -0.119 0.000 1.126 127 F CA -1.551 56.361 58.000 -0.147 0.000 0.950 127 F CB 1.273 40.164 39.000 -0.181 0.000 1.360 127 F HN 0.257 nan 8.300 nan 0.000 0.469 128 N N -0.038 118.561 118.700 -0.167 0.000 2.456 128 N HA 0.705 5.461 4.740 0.027 0.000 0.296 128 N C -1.678 173.707 175.510 -0.207 0.000 1.102 128 N CA -0.744 52.160 53.050 -0.244 0.000 0.924 128 N CB 2.268 40.670 38.487 -0.141 0.000 1.186 128 N HN 0.524 nan 8.380 nan 0.000 0.492 129 V N 1.137 120.905 119.914 -0.243 0.000 2.588 129 V HA 0.282 4.418 4.120 0.027 0.000 0.304 129 V C -0.838 175.138 176.094 -0.196 0.000 1.042 129 V CA -0.957 61.209 62.300 -0.225 0.000 0.877 129 V CB 1.835 33.599 31.823 -0.099 0.000 0.996 129 V HN 0.612 nan 8.190 nan 0.000 0.425 130 D N 2.588 122.815 120.400 -0.289 0.000 2.382 130 D HA 0.131 4.787 4.640 0.027 0.000 0.245 130 D C 1.086 177.384 176.300 -0.004 0.000 1.120 130 D CA -0.187 53.722 54.000 -0.152 0.000 0.890 130 D CB 1.016 41.702 40.800 -0.190 0.000 1.201 130 D HN 0.602 nan 8.370 nan 0.000 0.433 131 E N 1.254 121.463 120.200 0.016 0.000 2.070 131 E HA -0.218 4.148 4.350 0.027 0.000 0.197 131 E C 1.659 178.323 176.600 0.105 0.000 1.004 131 E CA 1.670 58.102 56.400 0.053 0.000 0.805 131 E CB -0.445 29.273 29.700 0.029 0.000 0.744 131 E HN 0.461 nan 8.360 nan 0.000 0.451 132 S N -0.909 114.860 115.700 0.116 0.000 2.420 132 S HA -0.185 4.301 4.470 0.027 0.000 0.237 132 S C 1.879 176.554 174.600 0.124 0.000 1.023 132 S CA 1.203 59.473 58.200 0.117 0.000 0.991 132 S CB -0.883 62.385 63.200 0.113 0.000 0.792 132 S HN 0.345 nan 8.310 nan 0.000 0.488 133 W N 1.336 122.561 121.300 -0.125 0.000 2.518 133 W HA 0.393 5.069 4.660 0.027 0.000 0.273 133 W C 1.873 178.446 176.519 0.089 0.000 1.247 133 W CA -0.046 57.201 57.345 -0.163 0.000 1.288 133 W CB -0.355 29.086 29.460 -0.033 0.000 1.107 133 W HN 0.313 nan 8.180 nan 0.000 0.586 134 L N -0.956 120.431 121.223 0.274 0.000 2.590 134 L HA 0.101 4.456 4.340 0.027 0.000 0.227 134 L C 2.056 179.012 176.870 0.143 0.000 1.099 134 L CA 0.294 55.260 54.840 0.211 0.000 0.872 134 L CB -0.479 41.675 42.059 0.159 0.000 1.088 134 L HN -0.132 nan 8.230 nan 0.000 0.479 135 Q N -0.059 119.811 119.800 0.117 0.000 2.230 135 Q HA -0.009 4.347 4.340 0.027 0.000 0.202 135 Q C 0.072 176.121 176.000 0.082 0.000 0.963 135 Q CA 0.921 56.771 55.803 0.079 0.000 0.866 135 Q CB 0.543 29.316 28.738 0.058 0.000 0.931 135 Q HN 0.267 nan 8.270 nan 0.000 0.452 136 E N -2.104 118.167 120.200 0.119 0.000 2.437 136 E HA 0.439 4.805 4.350 0.027 0.000 0.280 136 E C -0.364 176.355 176.600 0.199 0.000 1.044 136 E CA 0.298 56.767 56.400 0.116 0.000 0.826 136 E CB 1.637 31.392 29.700 0.093 0.000 1.358 136 E HN 0.201 nan 8.360 nan 0.000 0.459 137 G N 1.238 110.091 108.800 0.089 0.000 2.698 137 G HA2 -0.246 3.730 3.960 0.027 0.000 0.233 137 G HA3 -0.246 3.730 3.960 0.027 0.000 0.233 137 G C -0.552 174.248 174.900 -0.167 0.000 1.352 137 G CA 0.164 45.225 45.100 -0.066 0.000 0.879 137 G HN 0.495 nan 8.290 nan 0.000 0.567 138 Q N -0.463 119.064 119.800 -0.455 0.000 2.340 138 Q HA 0.633 4.989 4.340 0.027 0.000 0.268 138 Q C -0.965 174.835 176.000 -0.335 0.000 1.031 138 Q CA -0.471 55.170 55.803 -0.269 0.000 0.804 138 Q CB 1.546 30.179 28.738 -0.175 0.000 1.286 138 Q HN 0.613 nan 8.270 nan 0.000 0.448 139 T N 5.151 119.691 114.554 -0.024 0.000 2.772 139 T HA 0.464 4.830 4.350 0.027 0.000 0.288 139 T C -0.529 174.267 174.700 0.161 0.000 0.994 139 T CA -0.631 61.556 62.100 0.144 0.000 0.951 139 T CB 0.481 69.586 68.868 0.395 0.000 0.933 139 T HN 0.631 nan 8.240 nan 0.000 0.447 140 R N 2.958 123.538 120.500 0.133 0.000 2.873 140 R HA 0.803 5.159 4.340 0.027 0.000 0.264 140 R C -1.050 175.333 176.300 0.139 0.000 1.026 140 R CA -1.019 55.163 56.100 0.137 0.000 1.002 140 R CB 1.594 31.948 30.300 0.091 0.000 1.174 140 R HN 0.555 nan 8.270 nan 0.000 0.488 141 I N 1.719 122.367 120.570 0.130 0.000 2.603 141 I HA 0.480 4.666 4.170 0.027 0.000 0.300 141 I C -1.194 174.932 176.117 0.015 0.000 1.017 141 I CA -1.449 59.867 61.300 0.027 0.000 1.098 141 I CB 1.672 39.666 38.000 -0.011 0.000 1.279 141 I HN 0.631 nan 8.210 nan 0.000 0.437 142 I N 6.848 127.327 120.570 -0.153 0.000 2.447 142 I HA 0.288 4.474 4.170 0.027 0.000 0.287 142 I C -1.348 174.576 176.117 -0.321 0.000 1.023 142 I CA -0.348 60.879 61.300 -0.121 0.000 1.083 142 I CB 1.596 39.547 38.000 -0.081 0.000 1.245 142 I HN 0.379 nan 8.210 nan 0.000 0.434 143 F N 4.561 124.495 119.950 -0.026 0.000 2.308 143 F HA 0.270 4.813 4.527 0.026 0.000 0.370 143 F C 1.321 177.013 175.800 -0.181 0.000 1.100 143 F CA -0.475 57.443 58.000 -0.138 0.000 1.108 143 F CB 0.727 39.619 39.000 -0.181 0.000 1.293 143 F HN 0.454 nan 8.300 nan 0.000 0.478 144 D N 2.358 122.675 120.400 -0.139 0.000 2.264 144 D HA 0.036 4.692 4.640 0.027 0.000 0.208 144 D C 0.985 177.122 176.300 -0.271 0.000 0.966 144 D CA 0.928 54.801 54.000 -0.212 0.000 0.864 144 D CB 0.378 40.990 40.800 -0.313 0.000 0.933 144 D HN 0.640 nan 8.370 nan 0.000 0.499 145 G N -0.496 108.092 108.800 -0.354 0.000 2.455 145 G HA2 0.413 4.389 3.960 0.027 0.000 0.298 145 G HA3 0.413 4.389 3.960 0.027 0.000 0.298 145 G C -1.465 173.169 174.900 -0.444 0.000 1.349 145 G CA -0.477 44.308 45.100 -0.525 0.000 1.220 145 G HN -0.055 nan 8.290 nan 0.000 0.598 146 V N 2.448 122.305 119.914 -0.094 0.000 2.525 146 V HA 0.548 4.684 4.120 0.027 0.000 0.299 146 V C -0.726 175.456 176.094 0.146 0.000 1.034 146 V CA -1.172 61.081 62.300 -0.077 0.000 0.863 146 V CB 1.896 33.438 31.823 -0.468 0.000 0.999 146 V HN 0.714 nan 8.190 nan 0.000 0.423 147 N N 2.645 121.429 118.700 0.139 0.000 2.446 147 N HA 0.337 5.093 4.740 0.027 0.000 0.265 147 N C 0.559 176.000 175.510 -0.115 0.000 0.975 147 N CA 0.108 53.148 53.050 -0.015 0.000 0.928 147 N CB 2.175 40.506 38.487 -0.259 0.000 1.160 147 N HN 0.663 nan 8.380 nan 0.000 0.495 148 S N 1.917 117.588 115.700 -0.049 0.000 2.526 148 S HA 0.604 5.090 4.470 0.027 0.000 0.220 148 S C 0.288 174.945 174.600 0.096 0.000 1.017 148 S CA 0.105 58.326 58.200 0.035 0.000 0.930 148 S CB 0.297 63.531 63.200 0.056 0.000 0.856 148 S HN 0.701 nan 8.310 nan 0.000 0.497 149 A N 0.826 123.713 122.820 0.112 0.000 2.608 149 A HA 0.755 5.091 4.320 0.027 0.000 0.292 149 A C -1.367 176.295 177.584 0.130 0.000 1.066 149 A CA -0.967 51.096 52.037 0.044 0.000 0.676 149 A CB 0.733 19.783 19.000 0.083 0.000 1.277 149 A HN 1.113 nan 8.150 nan 0.000 0.413 150 F N -0.670 119.073 119.950 -0.346 0.000 2.719 150 F HA 0.749 5.292 4.527 0.026 0.000 0.309 150 F C -1.175 174.490 175.800 -0.225 0.000 1.138 150 F CA -0.811 57.086 58.000 -0.171 0.000 0.943 150 F CB 1.089 39.983 39.000 -0.176 0.000 1.304 150 F HN 0.636 nan 8.300 nan 0.000 0.445 151 H N 1.817 121.019 119.070 0.220 0.000 2.529 151 H HA 0.702 5.274 4.556 0.027 0.000 0.348 151 H C -1.448 173.816 175.328 -0.106 0.000 1.152 151 H CA -0.734 55.313 56.048 -0.003 0.000 1.202 151 H CB 2.476 32.251 29.762 0.022 0.000 1.562 151 H HN 0.766 nan 8.280 nan 0.000 0.515 152 L N 3.239 124.215 121.223 -0.412 0.000 2.362 152 L HA 0.387 4.743 4.340 0.027 0.000 0.275 152 L C -1.488 175.087 176.870 -0.493 0.000 0.998 152 L CA -0.523 54.144 54.840 -0.288 0.000 0.820 152 L CB 1.178 42.946 42.059 -0.484 0.000 1.270 152 L HN 0.513 nan 8.230 nan 0.000 0.415 153 W N 4.432 125.679 121.300 -0.087 0.000 2.761 153 W HA 0.602 5.278 4.660 0.027 0.000 0.340 153 W C -1.055 175.388 176.519 -0.128 0.000 1.072 153 W CA -0.835 56.441 57.345 -0.116 0.000 1.215 153 W CB 2.073 31.504 29.460 -0.049 0.000 1.420 153 W HN 0.566 nan 8.180 nan 0.000 0.519 154 C N 4.612 123.974 119.300 0.104 0.000 2.397 154 C HA 0.288 4.764 4.460 0.027 0.000 0.325 154 C C 0.184 175.285 174.990 0.185 0.000 1.201 154 C CA -0.376 58.708 59.018 0.109 0.000 1.377 154 C CB -0.553 27.198 27.740 0.018 0.000 2.038 154 C HN 0.821 nan 8.230 nan 0.000 0.457 155 N N 3.581 122.352 118.700 0.119 0.000 2.735 155 N HA -0.184 4.572 4.740 0.027 0.000 0.248 155 N C 0.937 176.509 175.510 0.103 0.000 1.083 155 N CA 2.010 55.112 53.050 0.087 0.000 0.703 155 N CB -1.393 37.151 38.487 0.096 0.000 1.005 155 N HN 1.866 nan 8.380 nan 0.000 0.550 156 G N -1.217 107.634 108.800 0.084 0.000 2.184 156 G HA2 -0.379 3.597 3.960 0.027 0.000 0.264 156 G HA3 -0.379 3.597 3.960 0.027 0.000 0.264 156 G C 0.094 175.156 174.900 0.271 0.000 0.975 156 G CA 0.751 45.896 45.100 0.074 0.000 0.642 156 G HN 0.608 nan 8.290 nan 0.000 0.536 157 R N -1.122 119.602 120.500 0.373 0.000 2.460 157 R HA 0.471 4.827 4.340 0.027 0.000 0.303 157 R C -0.168 176.435 176.300 0.506 0.000 0.968 157 R CA -0.916 55.477 56.100 0.489 0.000 0.889 157 R CB 1.196 31.789 30.300 0.488 0.000 1.123 157 R HN 0.205 nan 8.270 nan 0.000 0.455 158 W N 3.447 124.902 121.300 0.259 0.000 2.264 158 W HA 0.056 4.732 4.660 0.026 0.000 0.331 158 W C 0.048 176.444 176.519 -0.205 0.000 1.364 158 W CA 0.148 57.334 57.345 -0.266 0.000 1.253 158 W CB 0.645 29.943 29.460 -0.270 0.000 1.215 158 W HN 0.358 nan 8.180 nan 0.000 0.561 159 V N 5.419 124.527 119.914 -1.343 0.000 2.806 159 V HA 0.537 4.673 4.120 0.027 0.000 0.239 159 V C 1.082 176.155 176.094 -1.700 0.000 1.113 159 V CA 0.975 62.477 62.300 -1.329 0.000 1.137 159 V CB -0.376 30.712 31.823 -1.226 0.000 0.865 159 V HN 0.847 nan 8.190 nan 0.000 0.482 160 G N -1.622 105.925 108.800 -2.088 0.000 2.341 160 G HA2 0.453 4.429 3.960 0.027 0.000 0.299 160 G HA3 0.453 4.429 3.960 0.027 0.000 0.299 160 G C -2.411 172.047 174.900 -0.736 0.000 1.274 160 G CA -0.195 44.096 45.100 -1.350 0.000 0.853 160 G HN 0.032 nan 8.290 nan 0.000 0.493 161 Y N -0.556 119.483 120.300 -0.435 0.000 2.597 161 Y HA 0.727 5.292 4.550 0.026 0.000 0.340 161 Y C -0.099 175.572 175.900 -0.381 0.000 1.097 161 Y CA -0.049 57.737 58.100 -0.523 0.000 1.037 161 Y CB 2.145 40.462 38.460 -0.238 0.000 1.305 161 Y HN 1.365 nan 8.280 nan 0.000 0.463 162 G N 3.217 111.119 108.800 -1.496 0.000 2.718 162 G HA2 0.580 4.556 3.960 0.027 0.000 0.295 162 G HA3 0.580 4.556 3.960 0.027 0.000 0.295 162 G C -2.185 172.243 174.900 -0.786 0.000 1.421 162 G CA -0.919 43.645 45.100 -0.892 0.000 0.902 162 G HN 0.630 nan 8.290 nan 0.000 0.501 163 Q N -0.322 119.280 119.800 -0.330 0.000 2.587 163 Q HA 0.606 4.962 4.340 0.027 0.000 0.293 163 Q C -1.408 174.584 176.000 -0.014 0.000 1.083 163 Q CA -0.836 54.893 55.803 -0.123 0.000 0.792 163 Q CB 2.753 31.479 28.738 -0.020 0.000 1.484 163 Q HN 0.673 nan 8.270 nan 0.000 0.446 164 D N -0.248 120.184 120.400 0.053 0.000 4.303 164 D HA -0.098 4.558 4.640 0.027 0.000 0.230 164 D C -0.548 175.811 176.300 0.098 0.000 1.172 164 D CA 0.440 54.487 54.000 0.078 0.000 1.001 164 D CB -0.742 40.087 40.800 0.049 0.000 0.641 164 D HN 0.513 nan 8.370 nan 0.000 0.296 165 S N 3.067 118.839 115.700 0.120 0.000 2.500 165 S HA -0.077 4.409 4.470 0.027 0.000 0.239 165 S C 1.510 176.240 174.600 0.216 0.000 0.989 165 S CA 0.622 58.923 58.200 0.169 0.000 0.951 165 S CB 0.177 63.443 63.200 0.111 0.000 0.759 165 S HN 0.462 nan 8.310 nan 0.000 0.523 166 R N 0.175 120.765 120.500 0.150 0.000 2.577 166 R HA 0.423 4.779 4.340 0.027 0.000 0.344 166 R C -0.482 175.876 176.300 0.096 0.000 1.037 166 R CA 0.051 56.242 56.100 0.151 0.000 1.102 166 R CB 0.172 30.581 30.300 0.182 0.000 1.313 166 R HN 0.317 nan 8.270 nan 0.000 0.561 167 L N 1.544 122.795 121.223 0.046 0.000 2.371 167 L HA 0.522 4.878 4.340 0.027 0.000 0.262 167 L C -2.414 174.433 176.870 -0.039 0.000 1.006 167 L CA -2.298 52.539 54.840 -0.006 0.000 0.818 167 L CB 2.914 44.960 42.059 -0.022 0.000 1.354 167 L HN -0.211 nan 8.230 nan 0.000 0.415 168 P HA 0.130 nan 4.420 nan 0.000 0.275 168 P C -1.012 176.245 177.300 -0.071 0.000 1.227 168 P CA -0.268 62.783 63.100 -0.082 0.000 0.781 168 P CB 1.110 32.724 31.700 -0.144 0.000 0.906 169 S N 1.925 117.642 115.700 0.028 0.000 2.456 169 S HA 0.311 4.797 4.470 0.027 0.000 0.316 169 S C -0.321 174.197 174.600 -0.136 0.000 1.089 169 S CA -0.586 57.580 58.200 -0.056 0.000 1.101 169 S CB 0.714 64.021 63.200 0.178 0.000 0.995 169 S HN 0.365 nan 8.310 nan 0.000 0.468 170 E N 1.960 121.883 120.200 -0.460 0.000 2.227 170 E HA 0.605 4.971 4.350 0.027 0.000 0.268 170 E C -1.400 174.806 176.600 -0.656 0.000 0.907 170 E CA -0.606 55.603 56.400 -0.318 0.000 0.786 170 E CB 1.690 31.319 29.700 -0.119 0.000 1.191 170 E HN 0.427 nan 8.360 nan 0.000 0.411 171 F N 0.513 120.514 119.950 0.085 0.000 2.591 171 F HA 0.188 4.731 4.527 0.027 0.000 0.309 171 F C -0.183 175.642 175.800 0.041 0.000 1.098 171 F CA -1.126 56.892 58.000 0.030 0.000 0.937 171 F CB 1.669 40.659 39.000 -0.016 0.000 1.250 171 F HN 0.278 nan 8.300 nan 0.000 0.447 172 D N 3.031 123.560 120.400 0.214 0.000 2.325 172 D HA 0.239 4.895 4.640 0.027 0.000 0.251 172 D C 0.231 176.677 176.300 0.245 0.000 1.196 172 D CA 0.230 54.340 54.000 0.183 0.000 0.866 172 D CB 1.031 41.922 40.800 0.152 0.000 1.101 172 D HN 0.588 nan 8.370 nan 0.000 0.476 173 L N 2.898 124.268 121.223 0.246 0.000 2.667 173 L HA 0.042 4.398 4.340 0.027 0.000 0.232 173 L C 2.066 179.164 176.870 0.380 0.000 1.138 173 L CA -0.173 54.868 54.840 0.335 0.000 0.921 173 L CB 0.060 42.270 42.059 0.253 0.000 1.180 173 L HN 0.287 nan 8.230 nan 0.000 0.487 174 S N 1.287 117.149 115.700 0.270 0.000 2.380 174 S HA -0.275 4.211 4.470 0.027 0.000 0.229 174 S C 2.015 176.711 174.600 0.160 0.000 1.043 174 S CA 1.856 60.172 58.200 0.194 0.000 1.038 174 S CB -0.107 63.164 63.200 0.118 0.000 0.872 174 S HN 0.580 nan 8.310 nan 0.000 0.456 175 A N -0.760 122.134 122.820 0.125 0.000 2.251 175 A HA 0.347 4.683 4.320 0.027 0.000 0.209 175 A C 1.276 178.737 177.584 -0.204 0.000 1.187 175 A CA 0.279 52.264 52.037 -0.086 0.000 0.823 175 A CB -0.346 18.489 19.000 -0.275 0.000 0.846 175 A HN 0.489 nan 8.150 nan 0.000 0.486 176 F N -0.834 119.158 119.950 0.070 0.000 2.717 176 F HA 0.380 4.923 4.527 0.027 0.000 0.297 176 F C 0.649 176.488 175.800 0.064 0.000 1.113 176 F CA -0.138 57.902 58.000 0.067 0.000 1.319 176 F CB 0.161 39.207 39.000 0.076 0.000 1.097 176 F HN -0.033 nan 8.300 nan 0.000 0.595 177 L N 1.230 122.600 121.223 0.246 0.000 2.416 177 L HA 0.524 4.880 4.340 0.027 0.000 0.262 177 L C 0.187 177.104 176.870 0.077 0.000 1.093 177 L CA -0.811 54.120 54.840 0.150 0.000 0.801 177 L CB 1.141 43.304 42.059 0.174 0.000 1.191 177 L HN 0.007 nan 8.230 nan 0.000 0.459 178 R N 0.996 121.506 120.500 0.015 0.000 2.837 178 R HA 0.809 5.165 4.340 0.027 0.000 0.271 178 R C -1.065 175.215 176.300 -0.033 0.000 0.993 178 R CA -0.921 55.177 56.100 -0.003 0.000 0.931 178 R CB 1.563 31.849 30.300 -0.023 0.000 1.206 178 R HN 0.546 nan 8.270 nan 0.000 0.474 179 A N 0.951 123.760 122.820 -0.019 0.000 2.462 179 A HA 0.529 4.865 4.320 0.027 0.000 0.243 179 A C 0.962 178.500 177.584 -0.077 0.000 1.076 179 A CA 0.968 52.983 52.037 -0.036 0.000 0.773 179 A CB -0.458 18.534 19.000 -0.013 0.000 1.010 179 A HN 1.316 nan 8.150 nan 0.000 0.493 180 G N 1.415 110.149 108.800 -0.110 0.000 2.464 180 G HA2 -0.113 3.863 3.960 0.027 0.000 0.216 180 G HA3 -0.113 3.863 3.960 0.027 0.000 0.216 180 G C -0.386 174.391 174.900 -0.204 0.000 1.186 180 G CA -0.042 44.981 45.100 -0.128 0.000 1.010 180 G HN 0.940 nan 8.290 nan 0.000 0.585 181 E N 1.679 121.764 120.200 -0.193 0.000 2.313 181 E HA 0.425 4.791 4.350 0.027 0.000 0.276 181 E C -0.177 176.234 176.600 -0.316 0.000 1.031 181 E CA -0.278 55.963 56.400 -0.264 0.000 0.857 181 E CB 0.721 30.316 29.700 -0.175 0.000 1.040 181 E HN 0.449 nan 8.360 nan 0.000 0.408 182 N N 2.279 120.655 118.700 -0.539 0.000 2.321 182 N HA 0.387 5.143 4.740 0.027 0.000 0.290 182 N C -0.941 174.342 175.510 -0.378 0.000 1.212 182 N CA -0.743 52.007 53.050 -0.501 0.000 0.767 182 N CB 2.573 40.683 38.487 -0.629 0.000 1.494 182 N HN 0.262 nan 8.380 nan 0.000 0.479 183 R N 1.594 122.036 120.500 -0.097 0.000 2.476 183 R HA 0.451 4.807 4.340 0.027 0.000 0.305 183 R C -1.199 175.167 176.300 0.109 0.000 0.965 183 R CA -0.480 55.635 56.100 0.024 0.000 0.867 183 R CB 0.902 31.172 30.300 -0.050 0.000 1.176 183 R HN 0.493 nan 8.270 nan 0.000 0.447 184 L N 3.208 124.537 121.223 0.177 0.000 2.334 184 L HA 0.717 5.073 4.340 0.027 0.000 0.277 184 L C -0.106 176.807 176.870 0.072 0.000 1.075 184 L CA -0.810 54.120 54.840 0.151 0.000 0.804 184 L CB 1.801 43.935 42.059 0.126 0.000 1.174 184 L HN 0.711 nan 8.230 nan 0.000 0.438 185 A N 3.054 125.931 122.820 0.095 0.000 2.359 185 A HA 0.775 5.111 4.320 0.027 0.000 0.303 185 A C -1.048 176.799 177.584 0.437 0.000 1.066 185 A CA -0.462 51.548 52.037 -0.046 0.000 0.730 185 A CB 1.656 20.111 19.000 -0.907 0.000 1.211 185 A HN 0.382 nan 8.150 nan 0.000 0.439 186 V N 3.233 123.576 119.914 0.715 0.000 2.483 186 V HA 0.490 4.626 4.120 0.027 0.000 0.297 186 V C -0.182 176.429 176.094 0.862 0.000 1.027 186 V CA -0.295 62.416 62.300 0.686 0.000 0.855 186 V CB 1.643 33.675 31.823 0.350 0.000 0.995 186 V HN 0.968 nan 8.190 nan 0.000 0.424 187 M N 6.067 126.193 119.600 0.877 0.000 2.047 187 M HA 0.563 5.059 4.480 0.027 0.000 0.342 187 M C -1.469 175.087 176.300 0.426 0.000 1.058 187 M CA -0.390 55.261 55.300 0.585 0.000 0.991 187 M CB 1.046 34.018 32.600 0.620 0.000 1.474 187 M HN 0.483 nan 8.290 nan 0.000 0.419 188 V N 6.718 126.845 119.914 0.355 0.000 2.383 188 V HA 0.384 4.520 4.120 0.027 0.000 0.275 188 V C -0.083 176.177 176.094 0.277 0.000 1.036 188 V CA -0.633 61.879 62.300 0.353 0.000 0.889 188 V CB 1.265 33.376 31.823 0.479 0.000 0.985 188 V HN 0.799 nan 8.190 nan 0.000 0.459 189 L N 4.799 126.114 121.223 0.152 0.000 2.307 189 L HA 0.530 4.885 4.340 0.027 0.000 0.282 189 L C 1.537 178.427 176.870 0.033 0.000 1.051 189 L CA -0.405 54.458 54.840 0.039 0.000 0.804 189 L CB 1.231 43.212 42.059 -0.130 0.000 1.197 189 L HN 0.623 nan 8.230 nan 0.000 0.431 190 R N 2.630 123.109 120.500 -0.036 0.000 2.066 190 R HA -0.054 4.302 4.340 0.027 0.000 0.232 190 R C -0.334 175.631 176.300 -0.558 0.000 1.131 190 R CA 1.291 57.124 56.100 -0.445 0.000 0.955 190 R CB 0.171 30.068 30.300 -0.672 0.000 0.851 190 R HN 0.571 nan 8.270 nan 0.000 0.432 191 W N 0.215 121.588 121.300 0.122 0.000 2.570 191 W HA 0.430 5.106 4.660 0.026 0.000 0.337 191 W C -0.285 176.360 176.519 0.210 0.000 1.067 191 W CA -0.739 56.687 57.345 0.134 0.000 1.229 191 W CB 1.715 31.257 29.460 0.138 0.000 1.355 191 W HN 0.055 nan 8.180 nan 0.000 0.555 192 S N -1.073 114.930 115.700 0.505 0.000 2.643 192 S HA 0.193 4.679 4.470 0.027 0.000 0.270 192 S C 0.065 174.933 174.600 0.446 0.000 1.166 192 S CA -0.430 58.073 58.200 0.505 0.000 0.815 192 S CB 1.126 64.590 63.200 0.439 0.000 1.139 192 S HN 0.627 nan 8.310 nan 0.000 0.472 193 D N 0.351 121.015 120.400 0.439 0.000 2.263 193 D HA 0.072 4.728 4.640 0.027 0.000 0.208 193 D C 1.724 178.347 176.300 0.538 0.000 0.971 193 D CA 1.201 55.509 54.000 0.514 0.000 0.867 193 D CB -0.671 40.296 40.800 0.279 0.000 0.929 193 D HN 0.711 nan 8.370 nan 0.000 0.492 194 G N -0.008 109.022 108.800 0.383 0.000 2.471 194 G HA2 -0.223 3.753 3.960 0.027 0.000 0.219 194 G HA3 -0.223 3.753 3.960 0.027 0.000 0.219 194 G C 1.668 176.750 174.900 0.304 0.000 1.125 194 G CA 0.611 45.906 45.100 0.325 0.000 0.775 194 G HN 0.311 nan 8.290 nan 0.000 0.548 195 S N 0.052 115.923 115.700 0.285 0.000 2.419 195 S HA -0.104 4.381 4.470 0.027 0.000 0.233 195 S C 1.879 176.562 174.600 0.138 0.000 1.016 195 S CA 0.665 58.999 58.200 0.223 0.000 0.974 195 S CB -0.417 62.942 63.200 0.264 0.000 0.786 195 S HN 0.544 nan 8.310 nan 0.000 0.492 196 Y N 1.202 121.626 120.300 0.208 0.000 2.403 196 Y HA 0.021 4.587 4.550 0.026 0.000 0.291 196 Y C 1.607 177.596 175.900 0.148 0.000 1.143 196 Y CA 0.720 58.852 58.100 0.054 0.000 1.257 196 Y CB -0.230 38.092 38.460 -0.229 0.000 0.984 196 Y HN 0.206 nan 8.280 nan 0.000 0.550 197 L N -0.488 120.907 121.223 0.286 0.000 2.769 197 L HA 0.150 4.506 4.340 0.027 0.000 0.240 197 L C 0.135 177.127 176.870 0.204 0.000 1.163 197 L CA 0.297 55.267 54.840 0.215 0.000 0.962 197 L CB 0.193 42.387 42.059 0.226 0.000 1.258 197 L HN 0.104 nan 8.230 nan 0.000 0.513 198 E N 0.041 120.372 120.200 0.218 0.000 3.388 198 E HA 0.033 4.399 4.350 0.027 0.000 0.214 198 E C -0.437 176.249 176.600 0.143 0.000 1.040 198 E CA -0.054 56.459 56.400 0.188 0.000 1.327 198 E CB 0.481 30.289 29.700 0.180 0.000 1.243 198 E HN 0.064 nan 8.360 nan 0.000 0.444 199 D N 1.009 121.443 120.400 0.057 0.000 2.706 199 D HA 0.028 4.684 4.640 0.027 0.000 0.236 199 D C -0.198 176.047 176.300 -0.092 0.000 1.231 199 D CA -0.104 53.803 54.000 -0.154 0.000 0.828 199 D CB 0.186 40.609 40.800 -0.628 0.000 1.015 199 D HN 0.034 nan 8.370 nan 0.000 0.484 200 Q N 0.448 120.300 119.800 0.086 0.000 2.392 200 Q HA 0.130 4.486 4.340 0.027 0.000 0.262 200 Q C -0.167 175.925 176.000 0.152 0.000 1.003 200 Q CA 0.049 55.971 55.803 0.198 0.000 0.888 200 Q CB 0.648 29.668 28.738 0.469 0.000 1.260 200 Q HN 0.082 nan 8.270 nan 0.000 0.435 201 D N 3.095 123.601 120.400 0.177 0.000 2.455 201 D HA 0.213 4.869 4.640 0.027 0.000 0.234 201 D C -0.829 175.616 176.300 0.241 0.000 1.224 201 D CA 0.094 54.181 54.000 0.146 0.000 0.999 201 D CB -0.419 40.436 40.800 0.091 0.000 1.072 201 D HN 0.499 nan 8.370 nan 0.000 0.514 202 M N 0.468 120.191 119.600 0.205 0.000 3.069 202 M HA 0.354 4.850 4.480 0.027 0.000 0.274 202 M C -1.366 175.047 176.300 0.188 0.000 1.146 202 M CA -1.169 54.195 55.300 0.107 0.000 0.807 202 M CB 0.943 33.539 32.600 -0.008 0.000 1.621 202 M HN -0.078 nan 8.290 nan 0.000 0.521 203 W N 1.794 123.187 121.300 0.155 0.000 2.193 203 W HA 0.320 4.997 4.660 0.027 0.000 0.338 203 W C 0.275 176.817 176.519 0.038 0.000 1.310 203 W CA 0.122 57.548 57.345 0.134 0.000 1.243 203 W CB 0.330 29.804 29.460 0.022 0.000 1.165 203 W HN 0.309 nan 8.180 nan 0.000 0.566 204 R N 4.463 125.135 120.500 0.286 0.000 2.204 204 R HA 0.410 4.766 4.340 0.027 0.000 0.341 204 R C -0.130 176.173 176.300 0.005 0.000 1.035 204 R CA -0.280 55.906 56.100 0.143 0.000 0.887 204 R CB 0.099 30.554 30.300 0.258 0.000 1.114 204 R HN 0.535 nan 8.270 nan 0.000 0.473 205 M N 0.202 119.698 119.600 -0.174 0.000 2.792 205 M HA 0.553 5.049 4.480 0.027 0.000 0.290 205 M C 0.046 175.996 176.300 -0.583 0.000 1.155 205 M CA -0.845 54.233 55.300 -0.369 0.000 0.781 205 M CB 2.152 34.527 32.600 -0.375 0.000 1.741 205 M HN 0.603 nan 8.290 nan 0.000 0.473 206 S N -1.213 114.005 115.700 -0.804 0.000 2.611 206 S HA 0.944 5.430 4.470 0.027 0.000 0.268 206 S C -0.648 173.424 174.600 -0.880 0.000 1.156 206 S CA -0.200 57.447 58.200 -0.922 0.000 0.817 206 S CB 1.810 64.288 63.200 -1.203 0.000 1.122 206 S HN 1.454 nan 8.310 nan 0.000 0.466 207 G N -0.127 108.409 108.800 -0.440 0.000 2.354 207 G HA2 0.203 4.179 3.960 0.027 0.000 0.582 207 G HA3 0.203 4.179 3.960 0.027 0.000 0.582 207 G C -1.390 173.515 174.900 0.007 0.000 1.316 207 G CA -0.690 44.434 45.100 0.039 0.000 0.995 207 G HN 1.108 nan 8.290 nan 0.000 0.573 208 I N 2.084 122.517 120.570 -0.228 0.000 2.243 208 I HA 0.240 4.426 4.170 0.027 0.000 0.297 208 I C 1.245 177.212 176.117 -0.249 0.000 1.161 208 I CA -0.154 60.885 61.300 -0.435 0.000 1.298 208 I CB -0.264 37.178 38.000 -0.930 0.000 1.475 208 I HN 0.507 nan 8.210 nan 0.000 0.561 209 F N 4.376 124.168 119.950 -0.263 0.000 2.727 209 F HA 0.433 4.975 4.527 0.026 0.000 0.302 209 F C 0.700 176.412 175.800 -0.146 0.000 1.097 209 F CA -0.562 57.317 58.000 -0.201 0.000 1.330 209 F CB 0.088 38.972 39.000 -0.193 0.000 1.084 209 F HN 0.118 nan 8.300 nan 0.000 0.578 210 R N 0.526 120.574 120.500 -0.754 0.000 2.939 210 R HA 0.258 4.614 4.340 0.027 0.000 0.254 210 R C -0.706 175.368 176.300 -0.378 0.000 1.123 210 R CA -1.158 54.600 56.100 -0.571 0.000 1.020 210 R CB 0.704 30.590 30.300 -0.691 0.000 1.206 210 R HN -0.017 nan 8.270 nan 0.000 0.491 211 D N 0.717 120.931 120.400 -0.310 0.000 2.400 211 D HA 0.109 4.765 4.640 0.027 0.000 0.238 211 D C -0.388 175.761 176.300 -0.252 0.000 1.157 211 D CA 0.303 54.166 54.000 -0.227 0.000 0.889 211 D CB 0.816 41.516 40.800 -0.168 0.000 1.199 211 D HN -0.013 nan 8.370 nan 0.000 0.436 212 V N 0.998 120.776 119.914 -0.227 0.000 2.495 212 V HA 0.560 4.696 4.120 0.027 0.000 0.298 212 V C 0.049 176.018 176.094 -0.207 0.000 1.031 212 V CA -0.498 61.618 62.300 -0.307 0.000 0.871 212 V CB 1.598 33.260 31.823 -0.268 0.000 0.988 212 V HN 0.771 nan 8.190 nan 0.000 0.432 213 S N 4.518 120.072 115.700 -0.244 0.000 2.596 213 S HA 0.844 5.330 4.470 0.027 0.000 0.270 213 S C -1.565 172.978 174.600 -0.094 0.000 1.155 213 S CA -0.840 57.285 58.200 -0.124 0.000 0.827 213 S CB 2.032 65.196 63.200 -0.059 0.000 1.130 213 S HN 0.358 nan 8.310 nan 0.000 0.467 214 L N 1.459 122.696 121.223 0.023 0.000 2.362 214 L HA 0.751 5.107 4.340 0.027 0.000 0.275 214 L C -1.267 175.780 176.870 0.296 0.000 0.998 214 L CA -0.709 54.230 54.840 0.163 0.000 0.820 214 L CB 1.544 43.725 42.059 0.203 0.000 1.270 214 L HN 0.827 nan 8.230 nan 0.000 0.415 215 L N 4.096 125.458 121.223 0.231 0.000 2.356 215 L HA 0.483 4.839 4.340 0.027 0.000 0.277 215 L C -0.975 175.879 176.870 -0.028 0.000 0.996 215 L CA -0.162 54.747 54.840 0.115 0.000 0.822 215 L CB 1.261 43.360 42.059 0.066 0.000 1.256 215 L HN 0.589 nan 8.230 nan 0.000 0.413 216 H N 5.363 124.169 119.070 -0.440 0.000 2.488 216 H HA 0.486 5.058 4.556 0.027 0.000 0.322 216 H C -1.224 173.874 175.328 -0.383 0.000 1.078 216 H CA -0.573 55.090 56.048 -0.641 0.000 1.260 216 H CB 1.140 30.017 29.762 -1.476 0.000 1.425 216 H HN 0.546 nan 8.280 nan 0.000 0.471 217 K N 5.451 125.472 120.400 -0.631 0.000 2.328 217 K HA 0.370 4.706 4.320 0.027 0.000 0.246 217 K C -2.696 173.653 176.600 -0.418 0.000 0.955 217 K CA -2.023 54.039 56.287 -0.374 0.000 0.817 217 K CB 2.194 34.539 32.500 -0.259 0.000 1.208 217 K HN 0.488 nan 8.250 nan 0.000 0.432 218 P HA 0.113 nan 4.420 nan 0.000 0.274 218 P C 0.518 177.742 177.300 -0.126 0.000 1.246 218 P CA -0.132 62.894 63.100 -0.122 0.000 0.795 218 P CB 0.434 32.104 31.700 -0.050 0.000 1.006 219 T N -0.753 113.755 114.554 -0.078 0.000 2.746 219 T HA -0.052 4.314 4.350 0.027 0.000 0.267 219 T C 0.620 175.279 174.700 -0.068 0.000 1.039 219 T CA 1.618 63.677 62.100 -0.069 0.000 1.142 219 T CB -0.600 68.246 68.868 -0.036 0.000 0.866 219 T HN 0.445 nan 8.240 nan 0.000 0.444 220 T N 3.815 118.337 114.554 -0.054 0.000 2.727 220 T HA 0.435 4.801 4.350 0.027 0.000 0.298 220 T C -0.195 174.465 174.700 -0.066 0.000 0.942 220 T CA -0.551 61.511 62.100 -0.063 0.000 0.997 220 T CB 0.524 69.371 68.868 -0.034 0.000 0.917 220 T HN 0.473 nan 8.240 nan 0.000 0.487 221 Q N 2.444 122.191 119.800 -0.089 0.000 2.565 221 Q HA 0.588 4.944 4.340 0.027 0.000 0.294 221 Q C -1.187 174.760 176.000 -0.089 0.000 1.005 221 Q CA -1.182 54.560 55.803 -0.101 0.000 0.771 221 Q CB 1.330 29.983 28.738 -0.141 0.000 1.486 221 Q HN 0.452 nan 8.270 nan 0.000 0.422 222 I N 2.594 123.089 120.570 -0.125 0.000 2.436 222 I HA 0.005 4.191 4.170 0.027 0.000 0.289 222 I C 0.794 176.822 176.117 -0.148 0.000 1.083 222 I CA 0.102 61.343 61.300 -0.099 0.000 1.372 222 I CB 0.956 38.847 38.000 -0.181 0.000 1.408 222 I HN 0.868 nan 8.210 nan 0.000 0.516 223 S N 2.729 118.450 115.700 0.035 0.000 2.511 223 S HA 0.192 4.678 4.470 0.027 0.000 0.214 223 S C 0.174 174.985 174.600 0.352 0.000 0.997 223 S CA -0.256 58.032 58.200 0.147 0.000 0.908 223 S CB 0.301 63.543 63.200 0.070 0.000 0.803 223 S HN 0.716 nan 8.310 nan 0.000 0.504 224 D N -0.286 120.316 120.400 0.338 0.000 2.728 224 D HA 0.493 5.149 4.640 0.027 0.000 0.249 224 D C -1.895 174.586 176.300 0.302 0.000 1.225 224 D CA -0.694 53.507 54.000 0.335 0.000 0.748 224 D CB 1.499 42.385 40.800 0.143 0.000 1.326 224 D HN 0.209 nan 8.370 nan 0.000 0.426 225 F N -0.465 119.541 119.950 0.093 0.000 2.650 225 F HA 0.640 5.183 4.527 0.027 0.000 0.310 225 F C -1.584 174.260 175.800 0.074 0.000 1.112 225 F CA -0.761 57.222 58.000 -0.029 0.000 0.986 225 F CB 1.272 40.302 39.000 0.050 0.000 1.285 225 F HN 0.259 nan 8.300 nan 0.000 0.440 226 H N 1.885 121.033 119.070 0.130 0.000 2.589 226 H HA 0.747 5.319 4.556 0.027 0.000 0.351 226 H C -1.337 174.036 175.328 0.076 0.000 1.074 226 H CA -1.495 54.561 56.048 0.014 0.000 1.203 226 H CB 2.586 32.337 29.762 -0.019 0.000 1.558 226 H HN 0.623 nan 8.280 nan 0.000 0.522 227 V N 2.234 122.246 119.914 0.163 0.000 2.495 227 V HA 0.710 4.846 4.120 0.027 0.000 0.298 227 V C -0.238 175.855 176.094 -0.001 0.000 1.031 227 V CA -0.533 61.816 62.300 0.081 0.000 0.871 227 V CB 1.329 33.196 31.823 0.074 0.000 0.988 227 V HN 0.947 nan 8.190 nan 0.000 0.432 228 A N 3.214 126.010 122.820 -0.040 0.000 2.454 228 A HA 0.970 5.306 4.320 0.027 0.000 0.302 228 A C -0.244 177.251 177.584 -0.148 0.000 1.079 228 A CA -0.498 51.497 52.037 -0.070 0.000 0.731 228 A CB 2.164 21.145 19.000 -0.033 0.000 1.299 228 A HN 0.933 nan 8.150 nan 0.000 0.413 229 T N -0.612 113.840 114.554 -0.171 0.000 2.881 229 T HA 0.711 5.077 4.350 0.027 0.000 0.291 229 T C -0.467 174.036 174.700 -0.328 0.000 0.990 229 T CA -0.796 61.115 62.100 -0.315 0.000 0.976 229 T CB 1.062 69.647 68.868 -0.471 0.000 0.970 229 T HN 1.070 nan 8.240 nan 0.000 0.438 230 R N 1.800 122.019 120.500 -0.469 0.000 2.854 230 R HA 0.879 5.235 4.340 0.027 0.000 0.271 230 R C -1.649 174.241 176.300 -0.683 0.000 0.996 230 R CA -0.951 54.943 56.100 -0.344 0.000 0.961 230 R CB 1.334 31.570 30.300 -0.105 0.000 1.182 230 R HN 0.483 nan 8.270 nan 0.000 0.479 231 F N -0.103 119.857 119.950 0.016 0.000 2.650 231 F HA 0.360 4.902 4.527 0.025 0.000 0.320 231 F C 0.075 175.767 175.800 -0.179 0.000 1.091 231 F CA -1.090 56.872 58.000 -0.063 0.000 0.962 231 F CB 1.273 40.195 39.000 -0.130 0.000 1.363 231 F HN 0.715 nan 8.300 nan 0.000 0.482 232 N N 0.022 118.725 118.700 0.004 0.000 2.364 232 N HA 0.063 4.819 4.740 0.027 0.000 0.264 232 N C 0.402 175.759 175.510 -0.254 0.000 1.263 232 N CA -0.079 52.917 53.050 -0.089 0.000 0.959 232 N CB 0.177 38.638 38.487 -0.043 0.000 1.204 232 N HN 0.668 nan 8.380 nan 0.000 0.550 233 D N -0.932 119.358 120.400 -0.183 0.000 2.158 233 D HA -0.253 4.403 4.640 0.027 0.000 0.197 233 D C 0.478 176.628 176.300 -0.250 0.000 0.995 233 D CA 1.745 55.624 54.000 -0.202 0.000 0.846 233 D CB -0.581 40.178 40.800 -0.070 0.000 0.941 233 D HN 0.762 nan 8.370 nan 0.000 0.456 234 D N -1.714 118.605 120.400 -0.135 0.000 2.402 234 D HA 0.026 4.682 4.640 0.027 0.000 0.216 234 D C 0.084 176.506 176.300 0.204 0.000 1.128 234 D CA -0.864 53.171 54.000 0.058 0.000 0.833 234 D CB -0.860 40.004 40.800 0.106 0.000 0.971 234 D HN 0.235 nan 8.370 nan 0.000 0.503 235 F N 0.131 120.135 119.950 0.090 0.000 2.926 235 F HA -0.275 4.267 4.527 0.024 0.000 0.288 235 F C 1.479 177.357 175.800 0.128 0.000 0.756 235 F CA 0.754 58.816 58.000 0.103 0.000 1.292 235 F CB -2.516 36.437 39.000 -0.079 0.000 1.482 235 F HN 0.186 nan 8.300 nan 0.000 0.400 236 S N -1.204 114.604 115.700 0.180 0.000 2.548 236 S HA 0.324 4.810 4.470 0.027 0.000 0.215 236 S C 0.606 175.262 174.600 0.094 0.000 0.976 236 S CA -0.103 58.173 58.200 0.127 0.000 0.908 236 S CB 0.415 63.665 63.200 0.084 0.000 0.781 236 S HN 0.453 nan 8.310 nan 0.000 0.519 237 R N 0.114 120.681 120.500 0.112 0.000 2.698 237 R HA 0.823 5.179 4.340 0.027 0.000 0.275 237 R C -1.337 175.005 176.300 0.071 0.000 1.001 237 R CA -0.449 55.684 56.100 0.054 0.000 0.896 237 R CB 2.210 32.517 30.300 0.012 0.000 1.218 237 R HN 0.227 nan 8.270 nan 0.000 0.462 238 A N 1.315 124.109 122.820 -0.045 0.000 2.594 238 A HA 0.738 5.074 4.320 0.027 0.000 0.291 238 A C -1.468 176.033 177.584 -0.139 0.000 1.105 238 A CA -0.663 51.264 52.037 -0.185 0.000 0.694 238 A CB 2.127 20.994 19.000 -0.222 0.000 1.291 238 A HN 0.319 nan 8.150 nan 0.000 0.410 239 V N 1.339 121.143 119.914 -0.183 0.000 2.483 239 V HA 0.449 4.585 4.120 0.027 0.000 0.297 239 V C -0.623 175.407 176.094 -0.107 0.000 1.027 239 V CA -0.300 61.935 62.300 -0.109 0.000 0.855 239 V CB 1.396 33.160 31.823 -0.098 0.000 0.995 239 V HN 0.811 nan 8.190 nan 0.000 0.424 240 L N 4.974 126.176 121.223 -0.034 0.000 2.264 240 L HA 0.624 4.980 4.340 0.027 0.000 0.289 240 L C 0.106 176.941 176.870 -0.058 0.000 1.044 240 L CA 0.071 54.874 54.840 -0.061 0.000 0.807 240 L CB 1.031 43.090 42.059 0.000 0.000 1.192 240 L HN 0.867 nan 8.230 nan 0.000 0.425 241 E N 5.334 125.493 120.200 -0.067 0.000 2.176 241 E HA 0.676 5.042 4.350 0.027 0.000 0.267 241 E C -1.663 174.930 176.600 -0.012 0.000 0.893 241 E CA -0.919 55.459 56.400 -0.038 0.000 0.761 241 E CB 1.843 31.522 29.700 -0.036 0.000 1.133 241 E HN 0.693 nan 8.360 nan 0.000 0.409 242 A N 4.556 127.375 122.820 -0.001 0.000 2.311 242 A HA 0.308 4.644 4.320 0.027 0.000 0.306 242 A C -0.599 176.994 177.584 0.015 0.000 1.189 242 A CA -0.708 51.350 52.037 0.035 0.000 0.791 242 A CB 1.109 20.130 19.000 0.035 0.000 1.172 242 A HN 0.791 nan 8.150 nan 0.000 0.481 243 E N 2.385 122.597 120.200 0.021 0.000 2.227 243 E HA 0.545 4.911 4.350 0.027 0.000 0.282 243 E C -1.257 175.310 176.600 -0.055 0.000 1.015 243 E CA -0.327 56.048 56.400 -0.042 0.000 0.823 243 E CB 1.101 30.752 29.700 -0.081 0.000 1.081 243 E HN 0.385 nan 8.360 nan 0.000 0.396 244 V N 4.525 124.419 119.914 -0.035 0.000 2.656 244 V HA 0.295 4.431 4.120 0.027 0.000 0.307 244 V C -0.539 175.618 176.094 0.105 0.000 1.051 244 V CA -0.820 61.501 62.300 0.036 0.000 0.893 244 V CB 1.817 33.638 31.823 -0.003 0.000 0.999 244 V HN 0.751 nan 8.190 nan 0.000 0.426 245 Q N 3.752 123.625 119.800 0.120 0.000 2.348 245 Q HA 0.849 5.205 4.340 0.027 0.000 0.271 245 Q C -0.885 175.202 176.000 0.144 0.000 1.067 245 Q CA -0.944 54.942 55.803 0.138 0.000 0.839 245 Q CB 2.737 31.487 28.738 0.020 0.000 1.354 245 Q HN 0.800 nan 8.270 nan 0.000 0.447 246 M N -1.021 118.585 119.600 0.010 0.000 2.690 246 M HA 0.746 5.242 4.480 0.027 0.000 0.302 246 M C -1.399 174.811 176.300 -0.151 0.000 1.234 246 M CA -0.525 54.693 55.300 -0.136 0.000 0.853 246 M CB 1.636 33.929 32.600 -0.512 0.000 1.748 246 M HN 0.533 nan 8.290 nan 0.000 0.469 247 C N 0.978 120.202 119.300 -0.127 0.000 2.707 247 C HA 1.033 5.509 4.460 0.027 0.000 0.313 247 C C 0.578 175.494 174.990 -0.122 0.000 1.209 247 C CA 0.593 59.552 59.018 -0.099 0.000 1.635 247 C CB 0.982 28.690 27.740 -0.054 0.000 2.206 247 C HN 1.428 nan 8.230 nan 0.000 0.485 248 G N 1.743 110.480 108.800 -0.105 0.000 2.483 248 G HA2 -0.010 3.966 3.960 0.027 0.000 0.521 248 G HA3 -0.010 3.966 3.960 0.027 0.000 0.521 248 G C -0.898 173.929 174.900 -0.122 0.000 1.278 248 G CA -0.522 44.518 45.100 -0.100 0.000 0.965 248 G HN 0.944 nan 8.290 nan 0.000 0.504 249 E N -0.041 120.096 120.200 -0.105 0.000 2.217 249 E HA 0.366 4.732 4.350 0.027 0.000 0.279 249 E C 0.437 176.933 176.600 -0.173 0.000 1.068 249 E CA -0.404 55.928 56.400 -0.114 0.000 0.882 249 E CB 0.178 29.835 29.700 -0.072 0.000 1.039 249 E HN 0.442 nan 8.360 nan 0.000 0.418 250 L N 5.216 126.326 121.223 -0.188 0.000 2.416 250 L HA 0.216 4.572 4.340 0.027 0.000 0.272 250 L C 0.351 177.075 176.870 -0.244 0.000 1.161 250 L CA 0.031 54.729 54.840 -0.238 0.000 0.845 250 L CB 0.393 42.331 42.059 -0.201 0.000 1.119 250 L HN 0.426 nan 8.230 nan 0.000 0.464 251 R N 1.834 122.125 120.500 -0.349 0.000 2.686 251 R HA 0.216 4.572 4.340 0.027 0.000 0.283 251 R C -0.125 175.906 176.300 -0.449 0.000 0.978 251 R CA -0.824 54.944 56.100 -0.553 0.000 0.897 251 R CB 1.408 30.912 30.300 -1.326 0.000 1.192 251 R HN 0.506 nan 8.270 nan 0.000 0.457 252 D N 1.243 121.468 120.400 -0.291 0.000 2.309 252 D HA -0.143 4.513 4.640 0.027 0.000 0.212 252 D C 1.473 177.729 176.300 -0.073 0.000 0.968 252 D CA 1.431 55.359 54.000 -0.119 0.000 0.882 252 D CB 0.161 40.941 40.800 -0.033 0.000 0.918 252 D HN 0.581 nan 8.370 nan 0.000 0.503 253 Y N 0.007 120.320 120.300 0.021 0.000 2.561 253 Y HA 0.210 4.776 4.550 0.027 0.000 0.291 253 Y C 0.914 176.821 175.900 0.013 0.000 1.141 253 Y CA -0.435 57.676 58.100 0.018 0.000 1.303 253 Y CB -0.927 37.544 38.460 0.017 0.000 1.015 253 Y HN -0.193 nan 8.280 nan 0.000 0.547 254 L N 2.602 123.810 121.223 -0.024 0.000 2.467 254 L HA 0.261 4.617 4.340 0.027 0.000 0.270 254 L C 0.300 177.179 176.870 0.015 0.000 1.205 254 L CA 0.038 54.927 54.840 0.081 0.000 0.828 254 L CB 0.387 42.509 42.059 0.104 0.000 1.101 254 L HN 0.184 nan 8.230 nan 0.000 0.479 255 R N 1.489 121.884 120.500 -0.174 0.000 2.764 255 R HA 0.684 5.040 4.340 0.027 0.000 0.270 255 R C -1.534 174.436 176.300 -0.550 0.000 1.014 255 R CA -0.792 55.064 56.100 -0.407 0.000 0.904 255 R CB 2.163 32.101 30.300 -0.603 0.000 1.236 255 R HN 0.277 nan 8.270 nan 0.000 0.466 256 V N 0.737 120.369 119.914 -0.469 0.000 2.656 256 V HA 0.524 4.660 4.120 0.027 0.000 0.307 256 V C -0.292 175.732 176.094 -0.115 0.000 1.051 256 V CA -0.580 61.533 62.300 -0.311 0.000 0.893 256 V CB 2.322 33.902 31.823 -0.404 0.000 0.999 256 V HN 0.722 nan 8.190 nan 0.000 0.426 257 T N 3.564 118.157 114.554 0.064 0.000 2.824 257 T HA 0.619 4.985 4.350 0.027 0.000 0.282 257 T C -0.732 173.976 174.700 0.013 0.000 0.993 257 T CA -0.339 61.816 62.100 0.091 0.000 0.967 257 T CB 1.671 70.642 68.868 0.173 0.000 0.960 257 T HN 0.354 nan 8.240 nan 0.000 0.441 258 V N 3.894 123.797 119.914 -0.018 0.000 2.448 258 V HA 0.684 4.820 4.120 0.027 0.000 0.295 258 V C -0.092 175.995 176.094 -0.012 0.000 1.025 258 V CA -0.751 61.536 62.300 -0.022 0.000 0.859 258 V CB 1.777 33.577 31.823 -0.039 0.000 0.988 258 V HN 1.053 nan 8.190 nan 0.000 0.431 259 S N 5.206 120.921 115.700 0.025 0.000 2.536 259 S HA 0.873 5.359 4.470 0.027 0.000 0.298 259 S C -1.078 173.536 174.600 0.024 0.000 1.083 259 S CA -0.776 57.403 58.200 -0.034 0.000 0.995 259 S CB 2.232 65.391 63.200 -0.068 0.000 1.058 259 S HN 0.548 nan 8.310 nan 0.000 0.488 260 L N 1.961 123.117 121.223 -0.113 0.000 2.346 260 L HA 0.846 5.202 4.340 0.027 0.000 0.276 260 L C -2.010 174.818 176.870 -0.070 0.000 1.006 260 L CA -0.293 54.589 54.840 0.071 0.000 0.817 260 L CB 1.084 43.193 42.059 0.083 0.000 1.272 260 L HN 0.905 nan 8.230 nan 0.000 0.421 261 W N 3.272 124.682 121.300 0.185 0.000 2.844 261 W HA 0.598 5.274 4.660 0.026 0.000 0.340 261 W C -0.658 175.956 176.519 0.159 0.000 1.093 261 W CA -0.486 56.943 57.345 0.140 0.000 1.212 261 W CB 1.372 30.863 29.460 0.051 0.000 1.422 261 W HN 0.332 nan 8.180 nan 0.000 0.515 262 Q N 2.175 122.147 119.800 0.286 0.000 2.363 262 Q HA 0.462 4.817 4.340 0.027 0.000 0.265 262 Q C 0.594 176.622 176.000 0.048 0.000 1.032 262 Q CA 0.462 56.252 55.803 -0.021 0.000 0.746 262 Q CB 1.219 29.839 28.738 -0.196 0.000 1.237 262 Q HN 0.814 nan 8.270 nan 0.000 0.475 263 G N 3.890 112.704 108.800 0.024 0.000 2.566 263 G HA2 -0.331 3.645 3.960 0.027 0.000 0.280 263 G HA3 -0.331 3.645 3.960 0.027 0.000 0.280 263 G C 0.279 175.248 174.900 0.115 0.000 1.225 263 G CA 0.338 45.459 45.100 0.035 0.000 0.966 263 G HN 0.610 nan 8.290 nan 0.000 0.560 264 E N 1.231 121.496 120.200 0.107 0.000 2.476 264 E HA 0.295 4.661 4.350 0.027 0.000 0.191 264 E C 0.877 177.683 176.600 0.344 0.000 1.064 264 E CA 0.737 57.231 56.400 0.156 0.000 0.866 264 E CB 0.108 29.849 29.700 0.068 0.000 0.952 264 E HN 0.464 nan 8.360 nan 0.000 0.492 265 T N 0.757 115.500 114.554 0.315 0.000 2.771 265 T HA 0.226 4.592 4.350 0.027 0.000 0.281 265 T C -0.240 174.521 174.700 0.101 0.000 0.982 265 T CA -0.613 61.610 62.100 0.204 0.000 0.978 265 T CB 1.446 70.363 68.868 0.081 0.000 0.930 265 T HN -0.006 nan 8.240 nan 0.000 0.447 266 Q N 2.871 122.457 119.800 -0.357 0.000 2.307 266 Q HA 0.313 4.669 4.340 0.027 0.000 0.259 266 Q C 0.861 176.610 176.000 -0.419 0.000 0.998 266 Q CA -0.474 54.756 55.803 -0.955 0.000 0.923 266 Q CB 0.667 28.521 28.738 -1.472 0.000 1.196 266 Q HN 0.685 nan 8.270 nan 0.000 0.416 267 V N 0.926 120.677 119.914 -0.272 0.000 3.565 267 V HA 0.630 4.766 4.120 0.027 0.000 0.260 267 V C 0.245 176.254 176.094 -0.142 0.000 1.231 267 V CA 0.630 62.856 62.300 -0.123 0.000 1.100 267 V CB 0.005 31.840 31.823 0.019 0.000 0.807 267 V HN 0.657 nan 8.190 nan 0.000 0.454 268 A N -0.746 121.953 122.820 -0.202 0.000 2.597 268 A HA 0.809 5.145 4.320 0.027 0.000 0.292 268 A C -0.686 176.794 177.584 -0.173 0.000 1.057 268 A CA 0.267 52.214 52.037 -0.150 0.000 0.674 268 A CB 1.422 20.365 19.000 -0.093 0.000 1.278 268 A HN 0.819 nan 8.150 nan 0.000 0.416 269 S N -0.811 114.812 115.700 -0.127 0.000 2.552 269 S HA 0.813 5.299 4.470 0.027 0.000 0.272 269 S C -0.596 173.962 174.600 -0.070 0.000 1.150 269 S CA 0.249 58.384 58.200 -0.109 0.000 0.849 269 S CB 1.615 64.737 63.200 -0.131 0.000 1.113 269 S HN 2.419 nan 8.310 nan 0.000 0.458 270 G N 1.400 110.169 108.800 -0.051 0.000 2.733 270 G HA2 0.655 4.631 3.960 0.027 0.000 0.297 270 G HA3 0.655 4.631 3.960 0.027 0.000 0.297 270 G C -1.437 173.445 174.900 -0.030 0.000 1.422 270 G CA -0.402 44.673 45.100 -0.042 0.000 0.942 270 G HN 0.730 nan 8.290 nan 0.000 0.510 271 T N -0.260 114.280 114.554 -0.024 0.000 2.900 271 T HA 0.859 5.225 4.350 0.027 0.000 0.295 271 T C -0.390 174.280 174.700 -0.051 0.000 1.044 271 T CA 0.022 62.117 62.100 -0.009 0.000 0.995 271 T CB 1.839 70.740 68.868 0.055 0.000 1.072 271 T HN 1.599 nan 8.240 nan 0.000 0.473 272 A N 3.253 126.009 122.820 -0.107 0.000 2.612 272 A HA 0.904 5.240 4.320 0.027 0.000 0.293 272 A C -3.126 174.339 177.584 -0.198 0.000 1.075 272 A CA -1.536 50.425 52.037 -0.127 0.000 0.680 272 A CB 1.306 20.228 19.000 -0.130 0.000 1.279 272 A HN 0.526 nan 8.150 nan 0.000 0.411 273 P HA 0.559 nan 4.420 nan 0.000 0.278 273 P C -0.575 176.628 177.300 -0.160 0.000 1.266 273 P CA -0.321 62.707 63.100 -0.119 0.000 0.807 273 P CB 0.357 32.044 31.700 -0.022 0.000 1.094 274 F N -0.138 119.773 119.950 -0.064 0.000 2.444 274 F HA 0.462 5.005 4.527 0.026 0.000 0.331 274 F C 1.475 177.258 175.800 -0.028 0.000 1.167 274 F CA 1.546 59.518 58.000 -0.046 0.000 1.262 274 F CB 0.163 39.132 39.000 -0.052 0.000 1.196 274 F HN 0.557 nan 8.300 nan 0.000 0.583 275 G N 1.398 110.327 108.800 0.216 0.000 2.648 275 G HA2 0.353 4.329 3.960 0.027 0.000 0.317 275 G HA3 0.353 4.329 3.960 0.027 0.000 0.317 275 G C -0.479 174.475 174.900 0.089 0.000 1.216 275 G CA -0.729 44.448 45.100 0.128 0.000 1.210 275 G HN 1.031 nan 8.290 nan 0.000 0.583 276 G N 0.615 109.487 108.800 0.121 0.000 2.580 276 G HA2 0.651 4.627 3.960 0.027 0.000 0.278 276 G HA3 0.651 4.627 3.960 0.027 0.000 0.278 276 G C 0.432 175.376 174.900 0.073 0.000 1.212 276 G CA -0.256 44.905 45.100 0.102 0.000 0.939 276 G HN 0.881 nan 8.290 nan 0.000 0.513 277 E N -0.435 119.800 120.200 0.059 0.000 2.425 277 E HA 0.058 4.424 4.350 0.027 0.000 0.258 277 E C -0.045 176.580 176.600 0.041 0.000 1.151 277 E CA -0.563 55.861 56.400 0.040 0.000 0.958 277 E CB 0.691 30.410 29.700 0.032 0.000 0.968 277 E HN 0.060 nan 8.360 nan 0.000 0.451 278 I N 1.893 122.475 120.570 0.020 0.000 2.683 278 I HA -0.125 4.061 4.170 0.027 0.000 0.286 278 I C 1.243 177.369 176.117 0.016 0.000 1.175 278 I CA 0.265 61.570 61.300 0.007 0.000 1.429 278 I CB 0.054 38.054 38.000 -0.000 0.000 1.371 278 I HN 0.614 nan 8.210 nan 0.000 0.569 279 I N 3.796 124.369 120.570 0.006 0.000 3.300 279 I HA 0.049 4.235 4.170 0.027 0.000 0.279 279 I C 0.588 176.706 176.117 0.003 0.000 1.172 279 I CA 0.849 62.163 61.300 0.023 0.000 1.431 279 I CB -0.289 37.728 38.000 0.027 0.000 1.240 279 I HN 0.633 nan 8.210 nan 0.000 0.453 280 D N -1.293 119.093 120.400 -0.023 0.000 2.921 280 D HA 0.132 4.788 4.640 0.027 0.000 0.329 280 D C 0.378 176.663 176.300 -0.026 0.000 1.293 280 D CA -0.394 53.594 54.000 -0.020 0.000 0.964 280 D CB 0.572 41.361 40.800 -0.018 0.000 1.435 280 D HN -0.265 nan 8.370 nan 0.000 0.548 281 E N -1.049 119.138 120.200 -0.022 0.000 2.267 281 E HA -0.046 4.320 4.350 0.027 0.000 0.197 281 E C 1.378 177.959 176.600 -0.031 0.000 0.998 281 E CA 0.954 57.341 56.400 -0.021 0.000 0.830 281 E CB -0.015 29.676 29.700 -0.016 0.000 0.751 281 E HN 0.218 nan 8.360 nan 0.000 0.491 282 R N -0.427 120.047 120.500 -0.044 0.000 2.317 282 R HA 0.271 4.627 4.340 0.027 0.000 0.208 282 R C 0.862 177.120 176.300 -0.070 0.000 0.914 282 R CA 0.730 56.797 56.100 -0.055 0.000 1.060 282 R CB 0.669 30.931 30.300 -0.063 0.000 1.015 282 R HN 0.213 nan 8.270 nan 0.000 0.498 283 G N -0.669 108.090 108.800 -0.068 0.000 2.358 283 G HA2 -0.053 3.922 3.960 0.027 0.000 0.198 283 G HA3 -0.053 3.922 3.960 0.027 0.000 0.198 283 G C -0.339 174.504 174.900 -0.095 0.000 1.220 283 G CA -0.612 44.446 45.100 -0.069 0.000 1.187 283 G HN 0.459 nan 8.290 nan 0.000 0.544 284 G N -1.977 106.759 108.800 -0.106 0.000 3.086 284 G HA2 0.640 4.616 3.960 0.027 0.000 0.282 284 G HA3 0.640 4.616 3.960 0.027 0.000 0.282 284 G C -1.653 173.129 174.900 -0.196 0.000 1.343 284 G CA -0.717 44.315 45.100 -0.113 0.000 0.895 284 G HN 0.771 nan 8.290 nan 0.000 0.557 285 Y N 1.064 121.377 120.300 0.022 0.000 2.452 285 Y HA 0.429 4.994 4.550 0.026 0.000 0.348 285 Y C 1.448 177.372 175.900 0.040 0.000 0.985 285 Y CA 0.198 58.315 58.100 0.028 0.000 1.214 285 Y CB 1.727 40.210 38.460 0.037 0.000 1.136 285 Y HN 0.548 nan 8.280 nan 0.000 0.523 286 A N 1.903 124.787 122.820 0.106 0.000 2.066 286 A HA -0.134 4.202 4.320 0.027 0.000 0.218 286 A C 1.451 179.095 177.584 0.100 0.000 1.157 286 A CA 1.395 53.480 52.037 0.080 0.000 0.670 286 A CB -0.241 18.767 19.000 0.012 0.000 0.804 286 A HN 0.797 nan 8.150 nan 0.000 0.453 287 D N -0.783 119.678 120.400 0.102 0.000 2.358 287 D HA 0.126 4.782 4.640 0.027 0.000 0.224 287 D C 0.461 176.855 176.300 0.157 0.000 1.123 287 D CA -0.052 53.933 54.000 -0.024 0.000 0.833 287 D CB -0.007 40.764 40.800 -0.048 0.000 0.946 287 D HN 0.413 nan 8.370 nan 0.000 0.505 288 R N -0.941 119.775 120.500 0.361 0.000 2.836 288 R HA 0.761 5.117 4.340 0.027 0.000 0.269 288 R C -1.589 174.873 176.300 0.270 0.000 1.010 288 R CA -1.139 55.167 56.100 0.343 0.000 0.930 288 R CB 2.949 33.320 30.300 0.120 0.000 1.218 288 R HN -0.033 nan 8.270 nan 0.000 0.473 289 V N 0.133 120.084 119.914 0.061 0.000 3.098 289 V HA 0.483 4.619 4.120 0.027 0.000 0.294 289 V C -1.671 174.369 176.094 -0.089 0.000 1.351 289 V CA -0.281 61.969 62.300 -0.083 0.000 0.999 289 V CB 2.793 34.432 31.823 -0.307 0.000 1.104 289 V HN 0.824 nan 8.190 nan 0.000 0.438 290 T N 6.895 121.408 114.554 -0.068 0.000 2.848 290 T HA 0.629 4.995 4.350 0.027 0.000 0.285 290 T C -1.189 173.475 174.700 -0.061 0.000 0.995 290 T CA -0.422 61.646 62.100 -0.053 0.000 0.970 290 T CB 1.238 70.092 68.868 -0.025 0.000 0.976 290 T HN 0.450 nan 8.240 nan 0.000 0.441 291 L N 3.341 124.528 121.223 -0.060 0.000 2.325 291 L HA 0.603 4.959 4.340 0.027 0.000 0.278 291 L C 0.327 177.172 176.870 -0.042 0.000 1.023 291 L CA -0.516 54.289 54.840 -0.058 0.000 0.811 291 L CB 1.594 43.615 42.059 -0.064 0.000 1.249 291 L HN 0.553 nan 8.230 nan 0.000 0.431 292 R N 3.999 124.474 120.500 -0.041 0.000 2.439 292 R HA 0.696 5.051 4.340 0.027 0.000 0.310 292 R C -1.178 175.099 176.300 -0.040 0.000 0.955 292 R CA -0.692 55.385 56.100 -0.039 0.000 0.853 292 R CB 2.130 32.408 30.300 -0.037 0.000 1.171 292 R HN 0.467 nan 8.270 nan 0.000 0.449 293 L N 2.821 124.022 121.223 -0.037 0.000 2.341 293 L HA 0.451 4.807 4.340 0.027 0.000 0.278 293 L C -0.366 176.480 176.870 -0.039 0.000 1.005 293 L CA -1.021 53.796 54.840 -0.038 0.000 0.818 293 L CB 2.030 44.072 42.059 -0.029 0.000 1.259 293 L HN 0.562 nan 8.230 nan 0.000 0.418 294 N N 1.600 120.270 118.700 -0.049 0.000 2.499 294 N HA 0.450 5.206 4.740 0.027 0.000 0.281 294 N C -1.048 174.417 175.510 -0.076 0.000 1.098 294 N CA -0.465 52.551 53.050 -0.058 0.000 0.979 294 N CB 1.977 40.432 38.487 -0.053 0.000 1.121 294 N HN 0.193 nan 8.380 nan 0.000 0.466 295 V N 1.912 121.765 119.914 -0.102 0.000 2.447 295 V HA 0.198 4.334 4.120 0.027 0.000 0.292 295 V C -0.578 175.429 176.094 -0.144 0.000 1.021 295 V CA -0.818 61.379 62.300 -0.171 0.000 0.850 295 V CB 1.298 32.905 31.823 -0.361 0.000 1.005 295 V HN 0.599 nan 8.190 nan 0.000 0.426 296 E N 3.114 123.256 120.200 -0.096 0.000 2.283 296 E HA 0.279 4.645 4.350 0.027 0.000 0.278 296 E C 0.314 176.889 176.600 -0.042 0.000 1.027 296 E CA -0.397 55.972 56.400 -0.052 0.000 0.843 296 E CB 0.467 30.149 29.700 -0.031 0.000 1.062 296 E HN 0.742 nan 8.360 nan 0.000 0.401 297 N N 1.209 119.904 118.700 -0.007 0.000 2.686 297 N HA -0.157 4.599 4.740 0.027 0.000 0.261 297 N C -2.451 173.061 175.510 0.002 0.000 1.001 297 N CA 0.152 53.214 53.050 0.019 0.000 0.764 297 N CB -1.103 37.400 38.487 0.027 0.000 0.898 297 N HN 0.336 nan 8.380 nan 0.000 0.544 298 P HA 0.018 nan 4.420 nan 0.000 0.269 298 P C -0.420 176.917 177.300 0.061 0.000 1.215 298 P CA 0.244 63.249 63.100 -0.159 0.000 0.780 298 P CB 0.751 32.147 31.700 -0.507 0.000 0.898 299 K N 2.268 122.803 120.400 0.224 0.000 2.316 299 K HA 0.301 4.637 4.320 0.027 0.000 0.289 299 K C 0.137 176.908 176.600 0.286 0.000 1.070 299 K CA -0.418 55.990 56.287 0.202 0.000 0.928 299 K CB 0.151 32.735 32.500 0.140 0.000 1.039 299 K HN 0.400 nan 8.250 nan 0.000 0.480 300 L N 2.381 123.698 121.223 0.157 0.000 2.395 300 L HA 0.301 4.657 4.340 0.027 0.000 0.269 300 L C 0.009 176.956 176.870 0.129 0.000 1.133 300 L CA -0.761 54.168 54.840 0.149 0.000 0.812 300 L CB 0.312 42.306 42.059 -0.109 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 2.941 124.268 121.300 0.045 0.000 2.376 301 W HA 0.523 5.198 4.660 0.025 0.000 0.322 301 W C -0.066 176.406 176.519 -0.078 0.000 1.160 301 W CA 0.059 57.422 57.345 0.030 0.000 1.218 301 W CB 1.353 30.880 29.460 0.112 0.000 1.205 301 W HN 0.646 nan 8.180 nan 0.000 0.559 302 S N 2.914 118.073 115.700 -0.902 0.000 2.643 302 S HA 0.636 5.122 4.470 0.027 0.000 0.270 302 S C 0.086 173.919 174.600 -1.279 0.000 1.166 302 S CA -0.377 57.335 58.200 -0.814 0.000 0.815 302 S CB 1.119 64.147 63.200 -0.287 0.000 1.139 302 S HN 1.016 nan 8.310 nan 0.000 0.472 303 A N 0.396 122.662 122.820 -0.924 0.000 2.067 303 A HA 0.061 4.397 4.320 0.027 0.000 0.219 303 A C 1.742 179.030 177.584 -0.493 0.000 1.158 303 A CA 1.408 52.894 52.037 -0.919 0.000 0.661 303 A CB -0.917 17.403 19.000 -1.133 0.000 0.801 303 A HN 0.865 nan 8.150 nan 0.000 0.452 304 E N -0.765 119.286 120.200 -0.250 0.000 2.072 304 E HA 0.056 4.422 4.350 0.027 0.000 0.190 304 E C -0.217 176.271 176.600 -0.187 0.000 0.982 304 E CA 0.715 57.030 56.400 -0.141 0.000 0.803 304 E CB 0.026 29.772 29.700 0.077 0.000 0.755 304 E HN 0.599 nan 8.360 nan 0.000 0.453 305 I N 1.710 122.138 120.570 -0.237 0.000 2.595 305 I HA 0.150 4.336 4.170 0.027 0.000 0.276 305 I C -2.509 173.401 176.117 -0.345 0.000 1.109 305 I CA -1.783 59.395 61.300 -0.204 0.000 1.084 305 I CB 2.257 40.192 38.000 -0.109 0.000 1.206 305 I HN -0.213 nan 8.210 nan 0.000 0.486 306 P HA 0.082 nan 4.420 nan 0.000 0.225 306 P C -0.564 176.724 177.300 -0.021 0.000 1.768 306 P CA -0.245 62.553 63.100 -0.504 0.000 0.943 306 P CB -0.266 31.279 31.700 -0.258 0.000 1.936 307 N N 1.642 120.365 118.700 0.038 0.000 2.454 307 N HA 0.101 4.857 4.740 0.027 0.000 0.260 307 N C 0.135 175.864 175.510 0.365 0.000 1.218 307 N CA 0.515 53.657 53.050 0.154 0.000 0.904 307 N CB 0.779 39.352 38.487 0.144 0.000 1.065 307 N HN 0.306 nan 8.380 nan 0.000 0.462 308 L N 2.221 123.594 121.223 0.250 0.000 2.388 308 L HA 0.470 4.826 4.340 0.027 0.000 0.264 308 L C -0.749 176.238 176.870 0.196 0.000 0.998 308 L CA -0.854 54.179 54.840 0.321 0.000 0.817 308 L CB 1.276 43.480 42.059 0.243 0.000 1.338 308 L HN 0.389 nan 8.230 nan 0.000 0.414 309 Y N 0.343 120.801 120.300 0.263 0.000 2.631 309 Y HA 0.663 5.229 4.550 0.027 0.000 0.328 309 Y C -0.143 175.883 175.900 0.210 0.000 1.118 309 Y CA -0.781 57.476 58.100 0.260 0.000 1.206 309 Y CB 1.574 40.259 38.460 0.376 0.000 1.337 309 Y HN 0.382 nan 8.280 nan 0.000 0.515 310 R N 0.930 121.670 120.500 0.401 0.000 2.480 310 R HA 0.783 5.139 4.340 0.027 0.000 0.306 310 R C -1.648 174.843 176.300 0.318 0.000 0.958 310 R CA -0.515 55.743 56.100 0.264 0.000 0.861 310 R CB 1.054 31.426 30.300 0.120 0.000 1.171 310 R HN 0.724 nan 8.270 nan 0.000 0.445 311 A N 3.652 126.602 122.820 0.217 0.000 2.305 311 A HA 0.661 4.997 4.320 0.027 0.000 0.322 311 A C -1.038 176.612 177.584 0.111 0.000 1.187 311 A CA -0.639 51.511 52.037 0.188 0.000 0.825 311 A CB 1.347 20.420 19.000 0.123 0.000 1.164 311 A HN 0.484 nan 8.150 nan 0.000 0.498 312 V N 3.079 123.066 119.914 0.123 0.000 2.448 312 V HA 0.400 4.536 4.120 0.027 0.000 0.295 312 V C -0.480 175.591 176.094 -0.038 0.000 1.025 312 V CA -0.490 61.819 62.300 0.015 0.000 0.859 312 V CB 1.677 33.530 31.823 0.049 0.000 0.988 312 V HN 0.624 nan 8.190 nan 0.000 0.431 313 V N 4.690 124.510 119.914 -0.156 0.000 2.313 313 V HA 0.405 4.541 4.120 0.027 0.000 0.278 313 V C -0.022 176.010 176.094 -0.103 0.000 1.017 313 V CA -0.565 61.621 62.300 -0.190 0.000 0.823 313 V CB 1.248 32.800 31.823 -0.451 0.000 1.010 313 V HN 0.908 nan 8.190 nan 0.000 0.443 314 E N 3.635 123.828 120.200 -0.012 0.000 2.156 314 E HA 0.487 4.853 4.350 0.027 0.000 0.279 314 E C -0.944 175.727 176.600 0.119 0.000 0.965 314 E CA -0.796 55.645 56.400 0.068 0.000 0.789 314 E CB 2.288 32.062 29.700 0.123 0.000 1.098 314 E HN 0.471 nan 8.360 nan 0.000 0.397 315 L N 4.850 126.129 121.223 0.094 0.000 2.272 315 L HA 0.390 4.746 4.340 0.027 0.000 0.289 315 L C -0.893 176.072 176.870 0.158 0.000 1.032 315 L CA 0.165 55.054 54.840 0.082 0.000 0.810 315 L CB 0.115 42.216 42.059 0.071 0.000 1.205 315 L HN 0.688 nan 8.230 nan 0.000 0.422 316 H N 0.183 119.294 119.070 0.069 0.000 2.984 316 H HA 0.792 5.364 4.556 0.027 0.000 0.277 316 H C -0.821 174.574 175.328 0.112 0.000 1.502 316 H CA -0.512 55.578 56.048 0.070 0.000 1.195 316 H CB 0.693 30.478 29.762 0.039 0.000 1.866 316 H HN 0.480 nan 8.280 nan 0.000 0.594 317 T N -2.272 112.447 114.554 0.276 0.000 2.944 317 T HA 0.580 4.946 4.350 0.027 0.000 0.284 317 T C 1.353 176.218 174.700 0.275 0.000 1.010 317 T CA -0.410 61.823 62.100 0.222 0.000 1.025 317 T CB 1.656 70.585 68.868 0.102 0.000 1.079 317 T HN 0.930 nan 8.240 nan 0.000 0.516 318 A N 1.351 124.285 122.820 0.189 0.000 1.940 318 A HA -0.119 4.217 4.320 0.027 0.000 0.219 318 A C 1.844 179.507 177.584 0.132 0.000 1.176 318 A CA 2.039 54.172 52.037 0.160 0.000 0.631 318 A CB -1.234 17.843 19.000 0.127 0.000 0.814 318 A HN 1.014 nan 8.150 nan 0.000 0.446 319 D N -2.103 118.348 120.400 0.084 0.000 2.378 319 D HA 0.258 4.914 4.640 0.027 0.000 0.227 319 D C 1.107 177.432 176.300 0.042 0.000 1.012 319 D CA 1.065 55.089 54.000 0.040 0.000 0.905 319 D CB -0.576 40.222 40.800 -0.004 0.000 0.895 319 D HN 0.908 nan 8.370 nan 0.000 0.532 320 G N -1.136 107.719 108.800 0.092 0.000 2.130 320 G HA2 -0.217 3.759 3.960 0.027 0.000 0.216 320 G HA3 -0.217 3.759 3.960 0.027 0.000 0.216 320 G C 0.121 175.029 174.900 0.014 0.000 0.999 320 G CA 0.118 45.233 45.100 0.025 0.000 0.686 320 G HN 0.427 nan 8.290 nan 0.000 0.515 321 T N 1.110 115.699 114.554 0.059 0.000 2.771 321 T HA 0.526 4.892 4.350 0.027 0.000 0.291 321 T C 0.400 175.149 174.700 0.081 0.000 0.954 321 T CA -0.297 61.827 62.100 0.040 0.000 1.045 321 T CB 1.778 70.660 68.868 0.024 0.000 0.917 321 T HN 0.585 nan 8.240 nan 0.000 0.484 322 L N 4.621 125.876 121.223 0.053 0.000 2.416 322 L HA 0.342 4.698 4.340 0.027 0.000 0.272 322 L C 0.687 177.607 176.870 0.083 0.000 1.161 322 L CA 0.495 55.383 54.840 0.080 0.000 0.845 322 L CB 0.166 42.248 42.059 0.039 0.000 1.119 322 L HN 0.714 nan 8.230 nan 0.000 0.464 323 I N 2.249 122.879 120.570 0.101 0.000 2.685 323 I HA 0.172 4.358 4.170 0.027 0.000 0.251 323 I C 0.209 176.355 176.117 0.047 0.000 1.102 323 I CA 0.412 61.754 61.300 0.070 0.000 1.442 323 I CB 0.167 38.211 38.000 0.074 0.000 1.194 323 I HN 0.818 nan 8.210 nan 0.000 0.448 324 E N 0.186 120.415 120.200 0.049 0.000 2.422 324 E HA 0.712 5.078 4.350 0.027 0.000 0.280 324 E C -1.553 175.072 176.600 0.042 0.000 1.091 324 E CA -1.098 55.323 56.400 0.035 0.000 0.849 324 E CB 1.702 31.392 29.700 -0.018 0.000 1.353 324 E HN -0.016 nan 8.360 nan 0.000 0.449 325 A N 1.154 124.023 122.820 0.081 0.000 2.449 325 A HA 0.696 5.031 4.320 0.027 0.000 0.302 325 A C -1.069 176.624 177.584 0.183 0.000 1.048 325 A CA -0.756 51.331 52.037 0.083 0.000 0.708 325 A CB 1.695 20.742 19.000 0.078 0.000 1.274 325 A HN 0.514 nan 8.150 nan 0.000 0.410 326 E N -0.269 119.961 120.200 0.050 0.000 2.339 326 E HA 0.851 5.217 4.350 0.027 0.000 0.262 326 E C -0.443 176.184 176.600 0.046 0.000 0.934 326 E CA -0.560 55.909 56.400 0.116 0.000 0.802 326 E CB 2.357 32.022 29.700 -0.058 0.000 1.275 326 E HN 1.254 nan 8.360 nan 0.000 0.427 327 A N -0.162 122.794 122.820 0.227 0.000 2.566 327 A HA 0.703 5.039 4.320 0.027 0.000 0.290 327 A C -1.168 176.603 177.584 0.312 0.000 1.071 327 A CA -0.405 51.699 52.037 0.112 0.000 0.658 327 A CB 0.668 19.663 19.000 -0.009 0.000 1.285 327 A HN 0.885 nan 8.150 nan 0.000 0.427 328 C N -0.743 118.700 119.300 0.239 0.000 3.321 328 C HA 0.806 5.282 4.460 0.027 0.000 0.329 328 C C -1.354 173.735 174.990 0.164 0.000 1.394 328 C CA -0.965 58.201 59.018 0.246 0.000 1.291 328 C CB 1.034 28.933 27.740 0.265 0.000 1.606 328 C HN 0.816 nan 8.230 nan 0.000 0.463 329 D N 1.015 121.495 120.400 0.134 0.000 2.304 329 D HA 0.542 5.198 4.640 0.027 0.000 0.250 329 D C -0.333 176.024 176.300 0.094 0.000 1.107 329 D CA 0.206 54.284 54.000 0.129 0.000 0.885 329 D CB 1.748 42.627 40.800 0.132 0.000 1.192 329 D HN 0.540 nan 8.370 nan 0.000 0.436 330 V N 1.222 121.219 119.914 0.138 0.000 2.540 330 V HA 0.695 4.831 4.120 0.027 0.000 0.302 330 V C 0.565 176.725 176.094 0.109 0.000 1.035 330 V CA -0.828 61.499 62.300 0.045 0.000 0.873 330 V CB 2.089 33.922 31.823 0.018 0.000 0.992 330 V HN 0.610 nan 8.190 nan 0.000 0.428 331 G N 2.969 111.734 108.800 -0.058 0.000 2.574 331 G HA2 0.604 4.580 3.960 0.027 0.000 0.306 331 G HA3 0.604 4.580 3.960 0.027 0.000 0.306 331 G C -1.036 173.929 174.900 0.108 0.000 1.334 331 G CA -0.399 44.752 45.100 0.085 0.000 0.954 331 G HN 0.436 nan 8.290 nan 0.000 0.500 332 F N 4.222 124.362 119.950 0.316 0.000 2.468 332 F HA 0.411 4.954 4.527 0.026 0.000 0.356 332 F C 1.161 177.190 175.800 0.381 0.000 1.167 332 F CA -0.135 58.109 58.000 0.407 0.000 1.135 332 F CB 0.563 39.804 39.000 0.402 0.000 1.197 332 F HN 0.430 nan 8.300 nan 0.000 0.569 333 R N 2.931 123.700 120.500 0.449 0.000 2.680 333 R HA 0.438 4.794 4.340 0.027 0.000 0.269 333 R C -1.763 174.633 176.300 0.161 0.000 1.026 333 R CA -0.787 55.395 56.100 0.136 0.000 0.889 333 R CB 1.607 32.044 30.300 0.229 0.000 1.241 333 R HN 0.555 nan 8.270 nan 0.000 0.463 334 E N 2.050 122.218 120.200 -0.053 0.000 2.183 334 E HA 0.485 4.851 4.350 0.027 0.000 0.271 334 E C -1.201 175.440 176.600 0.069 0.000 0.919 334 E CA -0.954 55.533 56.400 0.144 0.000 0.781 334 E CB 2.117 31.987 29.700 0.283 0.000 1.140 334 E HN 0.407 nan 8.360 nan 0.000 0.402 335 V N 5.215 125.182 119.914 0.088 0.000 2.444 335 V HA 0.575 4.711 4.120 0.027 0.000 0.294 335 V C -0.266 175.865 176.094 0.061 0.000 1.022 335 V CA -0.713 61.613 62.300 0.043 0.000 0.850 335 V CB 1.228 33.057 31.823 0.010 0.000 0.992 335 V HN 0.736 nan 8.190 nan 0.000 0.426 336 R N 4.348 124.881 120.500 0.056 0.000 2.643 336 R HA 0.709 5.065 4.340 0.027 0.000 0.269 336 R C -2.102 174.225 176.300 0.046 0.000 1.037 336 R CA -0.883 55.254 56.100 0.063 0.000 0.894 336 R CB 1.924 32.279 30.300 0.092 0.000 1.238 336 R HN 0.547 nan 8.270 nan 0.000 0.459 337 I N 1.827 122.424 120.570 0.045 0.000 2.321 337 I HA 0.339 4.525 4.170 0.027 0.000 0.291 337 I C -0.448 175.694 176.117 0.041 0.000 0.998 337 I CA -0.351 60.970 61.300 0.036 0.000 1.227 337 I CB 1.720 39.743 38.000 0.038 0.000 1.368 337 I HN 0.703 nan 8.210 nan 0.000 0.466 338 E N 5.808 126.029 120.200 0.035 0.000 2.290 338 E HA 0.239 4.605 4.350 0.027 0.000 0.274 338 E C -0.218 176.399 176.600 0.028 0.000 0.889 338 E CA -0.585 55.838 56.400 0.037 0.000 0.760 338 E CB 1.109 30.838 29.700 0.047 0.000 1.206 338 E HN 0.532 nan 8.360 nan 0.000 0.419 339 N N 2.928 121.644 118.700 0.027 0.000 2.708 339 N HA -0.245 4.511 4.740 0.027 0.000 0.249 339 N C 0.460 175.979 175.510 0.015 0.000 1.097 339 N CA 2.167 55.229 53.050 0.020 0.000 0.710 339 N CB -1.163 37.334 38.487 0.018 0.000 1.032 339 N HN 0.980 nan 8.380 nan 0.000 0.551 340 G N -2.456 106.353 108.800 0.016 0.000 2.175 340 G HA2 -0.269 3.707 3.960 0.027 0.000 0.244 340 G HA3 -0.269 3.707 3.960 0.027 0.000 0.244 340 G C -0.109 174.789 174.900 -0.003 0.000 0.982 340 G CA 0.407 45.512 45.100 0.009 0.000 0.641 340 G HN 0.436 nan 8.290 nan 0.000 0.527 341 L N 0.296 121.517 121.223 -0.002 0.000 2.346 341 L HA 0.695 5.051 4.340 0.027 0.000 0.276 341 L C 0.144 177.005 176.870 -0.014 0.000 1.006 341 L CA -1.294 53.537 54.840 -0.016 0.000 0.817 341 L CB 1.901 43.951 42.059 -0.015 0.000 1.272 341 L HN 0.115 nan 8.230 nan 0.000 0.421 342 L N 4.495 125.698 121.223 -0.034 0.000 2.315 342 L HA 0.389 4.745 4.340 0.027 0.000 0.283 342 L C -0.813 176.034 176.870 -0.039 0.000 1.089 342 L CA 0.476 55.296 54.840 -0.034 0.000 0.833 342 L CB 0.176 42.202 42.059 -0.055 0.000 1.170 342 L HN 0.390 nan 8.230 nan 0.000 0.442 343 L N 5.880 127.096 121.223 -0.012 0.000 2.334 343 L HA 0.533 4.889 4.340 0.027 0.000 0.273 343 L C -0.742 176.122 176.870 -0.009 0.000 1.013 343 L CA -0.815 54.023 54.840 -0.002 0.000 0.816 343 L CB 1.889 43.972 42.059 0.039 0.000 1.278 343 L HN 0.555 nan 8.230 nan 0.000 0.431 344 L N 3.757 124.978 121.223 -0.003 0.000 2.343 344 L HA 0.466 4.822 4.340 0.027 0.000 0.278 344 L C -0.306 176.531 176.870 -0.055 0.000 0.996 344 L CA -0.065 54.770 54.840 -0.008 0.000 0.831 344 L CB 0.745 42.809 42.059 0.007 0.000 1.232 344 L HN 0.610 nan 8.230 nan 0.000 0.413 345 N N 3.985 122.474 118.700 -0.351 0.000 2.735 345 N HA -0.210 4.546 4.740 0.027 0.000 0.248 345 N C 0.922 175.972 175.510 -0.768 0.000 1.083 345 N CA 1.313 53.737 53.050 -1.042 0.000 0.703 345 N CB -1.330 36.520 38.487 -1.062 0.000 1.005 345 N HN 1.152 nan 8.380 nan 0.000 0.550 346 G N -2.013 106.669 108.800 -0.198 0.000 2.189 346 G HA2 -0.365 3.611 3.960 0.027 0.000 0.267 346 G HA3 -0.365 3.611 3.960 0.027 0.000 0.267 346 G C -0.013 174.934 174.900 0.078 0.000 0.975 346 G CA 1.014 46.183 45.100 0.114 0.000 0.644 346 G HN 0.425 nan 8.290 nan 0.000 0.537 347 K N 0.530 120.965 120.400 0.058 0.000 2.203 347 K HA 0.556 4.892 4.320 0.027 0.000 0.251 347 K C -2.809 173.778 176.600 -0.023 0.000 0.944 347 K CA -2.281 54.009 56.287 0.004 0.000 0.829 347 K CB 2.340 34.785 32.500 -0.090 0.000 1.125 347 K HN 0.019 nan 8.250 nan 0.000 0.430 348 P HA 0.231 nan 4.420 nan 0.000 0.282 348 P C -0.099 177.142 177.300 -0.098 0.000 1.274 348 P CA -0.263 62.798 63.100 -0.066 0.000 0.770 348 P CB 0.479 32.142 31.700 -0.063 0.000 0.867 349 L N 3.289 124.447 121.223 -0.109 0.000 2.464 349 L HA 0.285 4.641 4.340 0.027 0.000 0.264 349 L C 0.616 177.409 176.870 -0.129 0.000 1.199 349 L CA -0.531 54.232 54.840 -0.128 0.000 0.818 349 L CB 0.215 42.153 42.059 -0.203 0.000 1.102 349 L HN 0.251 nan 8.230 nan 0.000 0.473 350 L N 3.342 124.507 121.223 -0.096 0.000 2.427 350 L HA 0.418 4.774 4.340 0.027 0.000 0.264 350 L C -0.517 176.309 176.870 -0.074 0.000 0.989 350 L CA -0.269 54.498 54.840 -0.122 0.000 0.865 350 L CB 0.889 42.905 42.059 -0.070 0.000 1.209 350 L HN 0.237 nan 8.230 nan 0.000 0.430 351 I N 4.763 125.224 120.570 -0.182 0.000 2.436 351 I HA 0.187 4.372 4.170 0.027 0.000 0.289 351 I C 0.574 176.661 176.117 -0.051 0.000 1.083 351 I CA 0.228 61.432 61.300 -0.160 0.000 1.372 351 I CB 0.434 38.211 38.000 -0.371 0.000 1.408 351 I HN 0.557 nan 8.210 nan 0.000 0.516 352 R N 4.595 125.145 120.500 0.084 0.000 2.790 352 R HA 0.450 4.806 4.340 0.027 0.000 0.274 352 R C 0.433 176.875 176.300 0.237 0.000 1.334 352 R CA -0.266 55.926 56.100 0.154 0.000 1.543 352 R CB 1.050 31.261 30.300 -0.148 0.000 1.154 352 R HN 0.796 nan 8.270 nan 0.000 0.601 353 G N 0.065 108.972 108.800 0.178 0.000 2.509 353 G HA2 0.615 4.591 3.960 0.027 0.000 0.328 353 G HA3 0.615 4.591 3.960 0.027 0.000 0.328 353 G C -1.302 173.920 174.900 0.538 0.000 1.194 353 G CA -0.466 44.733 45.100 0.166 0.000 0.967 353 G HN 0.231 nan 8.290 nan 0.000 0.488 354 V N -0.028 120.182 119.914 0.493 0.000 3.048 354 V HA 0.460 4.596 4.120 0.027 0.000 0.303 354 V C -1.270 174.962 176.094 0.231 0.000 1.214 354 V CA -1.214 61.246 62.300 0.267 0.000 0.984 354 V CB 2.275 33.966 31.823 -0.220 0.000 1.054 354 V HN 0.758 nan 8.190 nan 0.000 0.430 355 N N 4.293 123.037 118.700 0.075 0.000 2.499 355 N HA 0.445 5.201 4.740 0.027 0.000 0.281 355 N C -0.748 174.566 175.510 -0.327 0.000 1.098 355 N CA -0.292 52.656 53.050 -0.169 0.000 0.979 355 N CB 1.525 39.845 38.487 -0.279 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.263 122.540 120.500 -0.371 0.000 2.502 356 R HA 0.211 4.567 4.340 0.027 0.000 0.298 356 R C -0.953 175.102 176.300 -0.409 0.000 1.018 356 R CA -0.539 55.368 56.100 -0.323 0.000 0.899 356 R CB 0.819 30.916 30.300 -0.338 0.000 1.181 356 R HN 0.591 nan 8.270 nan 0.000 0.444 357 H N 2.164 121.085 119.070 -0.249 0.000 2.547 357 H HA 0.119 4.691 4.556 0.027 0.000 0.362 357 H C -0.496 174.834 175.328 0.003 0.000 1.181 357 H CA 0.142 56.139 56.048 -0.085 0.000 1.376 357 H CB 1.429 31.215 29.762 0.040 0.000 1.488 357 H HN 0.554 nan 8.280 nan 0.000 0.583 358 E N 1.896 122.292 120.200 0.327 0.000 1.963 358 E HA 0.089 4.455 4.350 0.027 0.000 0.274 358 E C -0.778 175.977 176.600 0.258 0.000 1.061 358 E CA -0.064 56.450 56.400 0.189 0.000 0.847 358 E CB 0.267 30.106 29.700 0.232 0.000 1.083 358 E HN 0.384 nan 8.360 nan 0.000 0.402 359 H N 1.757 120.893 119.070 0.110 0.000 2.771 359 H HA 0.264 4.836 4.556 0.027 0.000 0.361 359 H C -1.585 173.800 175.328 0.095 0.000 1.108 359 H CA -0.680 55.427 56.048 0.097 0.000 1.201 359 H CB 1.059 30.867 29.762 0.077 0.000 1.681 359 H HN 0.379 nan 8.280 nan 0.000 0.534 360 H N 6.408 125.090 119.070 -0.648 0.000 2.689 360 H HA 0.214 4.786 4.556 0.026 0.000 0.346 360 H C -2.297 172.666 175.328 -0.609 0.000 1.037 360 H CA -2.447 53.359 56.048 -0.403 0.000 1.234 360 H CB 2.633 32.317 29.762 -0.129 0.000 1.572 360 H HN 0.555 nan 8.280 nan 0.000 0.524 361 P HA -0.138 nan 4.420 nan 0.000 0.220 361 P C 1.272 178.474 177.300 -0.163 0.000 1.148 361 P CA 0.541 63.503 63.100 -0.230 0.000 0.803 361 P CB 0.866 32.467 31.700 -0.164 0.000 0.782 362 L N -0.969 120.256 121.223 0.002 0.000 2.200 362 L HA 0.113 4.469 4.340 0.027 0.000 0.200 362 L C 2.144 178.818 176.870 -0.326 0.000 1.072 362 L CA 1.686 56.402 54.840 -0.207 0.000 0.787 362 L CB -1.004 40.806 42.059 -0.414 0.000 0.957 362 L HN -0.073 nan 8.230 nan 0.000 0.459 363 H N -1.064 117.992 119.070 -0.023 0.000 2.539 363 H HA 0.404 4.976 4.556 0.026 0.000 0.269 363 H C 1.400 176.625 175.328 -0.173 0.000 0.980 363 H CA 0.261 56.200 56.048 -0.182 0.000 1.152 363 H CB 0.149 29.696 29.762 -0.358 0.000 1.407 363 H HN 0.473 nan 8.280 nan 0.000 0.564 364 G N 1.449 110.160 108.800 -0.148 0.000 2.595 364 G HA2 -0.405 3.571 3.960 0.027 0.000 0.297 364 G HA3 -0.405 3.571 3.960 0.027 0.000 0.297 364 G C 0.730 175.531 174.900 -0.166 0.000 1.181 364 G CA 0.466 45.422 45.100 -0.242 0.000 0.963 364 G HN 0.469 nan 8.290 nan 0.000 0.541 365 Q N -0.023 119.718 119.800 -0.099 0.000 2.198 365 Q HA 0.492 4.848 4.340 0.027 0.000 0.209 365 Q C 0.255 176.361 176.000 0.177 0.000 0.848 365 Q CA -0.160 55.636 55.803 -0.011 0.000 0.974 365 Q CB 1.450 30.074 28.738 -0.189 0.000 1.115 365 Q HN 0.378 nan 8.270 nan 0.000 0.494 366 V N 1.947 121.936 119.914 0.125 0.000 2.530 366 V HA 0.187 4.323 4.120 0.027 0.000 0.282 366 V C 0.148 176.295 176.094 0.089 0.000 1.048 366 V CA 0.171 62.546 62.300 0.125 0.000 0.997 366 V CB 0.978 32.804 31.823 0.006 0.000 0.987 366 V HN 0.326 nan 8.190 nan 0.000 0.477 367 M N 5.181 124.841 119.600 0.099 0.000 2.508 367 M HA 0.525 5.021 4.480 0.027 0.000 0.327 367 M C -0.500 175.766 176.300 -0.057 0.000 1.160 367 M CA -0.570 54.749 55.300 0.032 0.000 0.980 367 M CB 1.983 34.573 32.600 -0.016 0.000 1.693 367 M HN 0.878 nan 8.290 nan 0.000 0.452 368 D N 0.062 120.433 120.400 -0.047 0.000 2.547 368 D HA 0.225 4.881 4.640 0.027 0.000 0.231 368 D C 0.072 176.354 176.300 -0.030 0.000 1.099 368 D CA -0.413 53.557 54.000 -0.050 0.000 0.901 368 D CB 1.994 42.787 40.800 -0.012 0.000 1.478 368 D HN 0.723 nan 8.370 nan 0.000 0.471 369 E N 0.068 120.258 120.200 -0.017 0.000 2.085 369 E HA -0.293 4.073 4.350 0.027 0.000 0.194 369 E C 1.840 178.480 176.600 0.068 0.000 0.994 369 E CA 1.420 57.836 56.400 0.028 0.000 0.801 369 E CB 0.108 29.840 29.700 0.053 0.000 0.743 369 E HN 0.547 nan 8.360 nan 0.000 0.453 370 Q N 0.028 119.871 119.800 0.071 0.000 2.084 370 Q HA -0.156 4.200 4.340 0.027 0.000 0.202 370 Q C 1.963 178.024 176.000 0.101 0.000 0.978 370 Q CA 2.124 57.979 55.803 0.087 0.000 0.844 370 Q CB -0.209 28.581 28.738 0.087 0.000 0.898 370 Q HN 0.271 nan 8.270 nan 0.000 0.426 371 T N 1.552 116.176 114.554 0.118 0.000 2.746 371 T HA -0.114 4.252 4.350 0.027 0.000 0.267 371 T C 1.961 176.740 174.700 0.133 0.000 1.039 371 T CA 1.742 63.926 62.100 0.140 0.000 1.142 371 T CB -0.179 68.806 68.868 0.195 0.000 0.866 371 T HN 0.324 nan 8.240 nan 0.000 0.444 372 M N 0.486 120.165 119.600 0.133 0.000 2.117 372 M HA -0.078 4.418 4.480 0.027 0.000 0.262 372 M C 2.469 178.875 176.300 0.177 0.000 1.065 372 M CA 1.249 56.689 55.300 0.235 0.000 1.114 372 M CB -0.651 32.125 32.600 0.293 0.000 1.361 372 M HN 0.089 nan 8.290 nan 0.000 0.408 373 V N 0.376 120.342 119.914 0.087 0.000 2.358 373 V HA -0.286 3.849 4.120 0.027 0.000 0.246 373 V C 2.390 178.463 176.094 -0.035 0.000 1.047 373 V CA 2.055 64.345 62.300 -0.016 0.000 1.035 373 V CB -0.818 31.035 31.823 0.050 0.000 0.658 373 V HN 0.560 nan 8.190 nan 0.000 0.452 374 Q N -0.288 119.541 119.800 0.049 0.000 2.096 374 Q HA -0.284 4.072 4.340 0.027 0.000 0.204 374 Q C 1.943 178.002 176.000 0.098 0.000 0.982 374 Q CA 2.227 58.075 55.803 0.075 0.000 0.850 374 Q CB -0.155 28.646 28.738 0.105 0.000 0.901 374 Q HN 0.614 nan 8.270 nan 0.000 0.422 375 D N 0.324 120.794 120.400 0.116 0.000 2.097 375 D HA -0.149 4.507 4.640 0.027 0.000 0.195 375 D C 1.918 178.132 176.300 -0.144 0.000 0.989 375 D CA 1.222 55.266 54.000 0.073 0.000 0.827 375 D CB -0.206 40.624 40.800 0.050 0.000 0.966 375 D HN 0.360 nan 8.370 nan 0.000 0.456 376 I N 0.566 121.055 120.570 -0.135 0.000 2.226 376 I HA -0.229 3.957 4.170 0.027 0.000 0.245 376 I C 2.371 178.324 176.117 -0.273 0.000 1.100 376 I CA 0.633 61.748 61.300 -0.308 0.000 1.374 376 I CB -0.104 37.590 38.000 -0.509 0.000 1.057 376 I HN -0.009 nan 8.210 nan 0.000 0.413 377 L N -0.059 121.046 121.223 -0.197 0.000 2.056 377 L HA -0.210 4.145 4.340 0.027 0.000 0.207 377 L C 2.514 179.433 176.870 0.082 0.000 1.078 377 L CA 1.311 56.128 54.840 -0.039 0.000 0.749 377 L CB -0.607 41.461 42.059 0.015 0.000 0.901 377 L HN 0.263 nan 8.230 nan 0.000 0.433 378 L N -0.911 120.381 121.223 0.115 0.000 2.093 378 L HA -0.210 4.146 4.340 0.027 0.000 0.208 378 L C 2.692 179.719 176.870 0.262 0.000 1.085 378 L CA 1.216 56.213 54.840 0.261 0.000 0.755 378 L CB -0.304 42.018 42.059 0.439 0.000 0.904 378 L HN 0.277 nan 8.230 nan 0.000 0.435 379 M N -0.537 119.030 119.600 -0.054 0.000 2.065 379 M HA -0.261 4.235 4.480 0.027 0.000 0.259 379 M C 2.302 178.678 176.300 0.128 0.000 1.069 379 M CA 1.922 57.139 55.300 -0.140 0.000 1.110 379 M CB -0.397 31.901 32.600 -0.505 0.000 1.328 379 M HN 0.075 nan 8.290 nan 0.000 0.405 380 K N -0.013 120.346 120.400 -0.069 0.000 2.057 380 K HA -0.182 4.154 4.320 0.027 0.000 0.207 380 K C 1.983 178.529 176.600 -0.091 0.000 1.049 380 K CA 1.376 57.498 56.287 -0.274 0.000 0.931 380 K CB -0.264 31.827 32.500 -0.682 0.000 0.714 380 K HN 0.451 nan 8.250 nan 0.000 0.440 381 Q N 0.388 120.324 119.800 0.227 0.000 2.291 381 Q HA -0.058 4.298 4.340 0.027 0.000 0.206 381 Q C 0.770 177.070 176.000 0.500 0.000 0.976 381 Q CA 0.781 56.850 55.803 0.444 0.000 0.875 381 Q CB 0.111 29.077 28.738 0.380 0.000 0.927 381 Q HN 0.273 nan 8.270 nan 0.000 0.450 382 N N 0.526 119.462 118.700 0.393 0.000 2.321 382 N HA 0.055 4.811 4.740 0.027 0.000 0.242 382 N C -0.643 174.951 175.510 0.139 0.000 1.141 382 N CA 0.026 53.294 53.050 0.363 0.000 0.864 382 N CB 0.714 39.499 38.487 0.496 0.000 1.100 382 N HN 0.165 nan 8.380 nan 0.000 0.510 383 N N 0.108 118.903 118.700 0.158 0.000 2.782 383 N HA -0.187 4.569 4.740 0.027 0.000 0.251 383 N C -0.761 174.644 175.510 -0.175 0.000 1.101 383 N CA 0.795 53.877 53.050 0.053 0.000 0.764 383 N CB -1.743 36.687 38.487 -0.095 0.000 1.122 383 N HN 0.256 nan 8.380 nan 0.000 0.561 384 F N 1.200 121.162 119.950 0.020 0.000 2.375 384 F HA 0.282 4.825 4.527 0.026 0.000 0.333 384 F C 1.792 177.583 175.800 -0.015 0.000 1.104 384 F CA -0.471 57.528 58.000 -0.001 0.000 1.149 384 F CB 0.736 39.716 39.000 -0.034 0.000 1.190 384 F HN 0.047 nan 8.300 nan 0.000 0.533 385 N N 0.498 119.313 118.700 0.192 0.000 2.160 385 N HA 0.444 5.200 4.740 0.027 0.000 0.226 385 N C -0.828 174.733 175.510 0.085 0.000 1.256 385 N CA -0.028 53.063 53.050 0.068 0.000 0.890 385 N CB 0.725 39.300 38.487 0.146 0.000 1.116 385 N HN 0.478 nan 8.380 nan 0.000 0.517 386 A N -0.609 122.339 122.820 0.214 0.000 2.606 386 A HA 0.784 5.120 4.320 0.027 0.000 0.293 386 A C -1.741 176.073 177.584 0.383 0.000 1.082 386 A CA -0.723 51.503 52.037 0.315 0.000 0.685 386 A CB 1.817 21.029 19.000 0.353 0.000 1.284 386 A HN 0.201 nan 8.150 nan 0.000 0.408 387 V N 0.728 120.916 119.914 0.457 0.000 2.971 387 V HA 0.771 4.907 4.120 0.027 0.000 0.309 387 V C -0.772 175.442 176.094 0.199 0.000 1.130 387 V CA -0.696 61.822 62.300 0.363 0.000 0.964 387 V CB 1.985 33.939 31.823 0.219 0.000 1.029 387 V HN 1.102 nan 8.190 nan 0.000 0.427 388 R N 4.549 124.997 120.500 -0.088 0.000 2.338 388 R HA 0.493 4.849 4.340 0.027 0.000 0.317 388 R C -0.746 175.386 176.300 -0.281 0.000 0.968 388 R CA -0.480 55.385 56.100 -0.392 0.000 0.849 388 R CB 1.125 30.973 30.300 -0.754 0.000 1.128 388 R HN 0.816 nan 8.270 nan 0.000 0.448 389 C N 4.328 123.492 119.300 -0.228 0.000 3.183 389 C HA 0.115 4.591 4.460 0.027 0.000 0.545 389 C C 0.630 175.300 174.990 -0.532 0.000 1.044 389 C CA -0.492 58.330 59.018 -0.327 0.000 1.117 389 C CB -2.055 25.605 27.740 -0.133 0.000 1.393 389 C HN 0.722 nan 8.230 nan 0.000 0.611 390 S N 1.368 116.640 115.700 -0.712 0.000 2.465 390 S HA 0.157 4.643 4.470 0.027 0.000 0.280 390 S C -0.078 173.587 174.600 -1.558 0.000 1.232 390 S CA 0.220 57.742 58.200 -1.131 0.000 1.066 390 S CB 0.098 62.670 63.200 -1.045 0.000 0.929 390 S HN 0.730 nan 8.310 nan 0.000 0.494 391 H N 3.825 122.323 119.070 -0.953 0.000 2.511 391 H HA 0.308 4.880 4.556 0.026 0.000 0.228 391 H C -1.165 174.063 175.328 -0.166 0.000 1.424 391 H CA -0.342 55.517 56.048 -0.315 0.000 1.321 391 H CB -0.139 29.632 29.762 0.015 0.000 1.720 391 H HN 0.888 nan 8.280 nan 0.000 0.512 392 Y N -2.858 117.526 120.300 0.141 0.000 2.732 392 Y HA 0.438 5.005 4.550 0.027 0.000 0.342 392 Y C -3.366 172.628 175.900 0.156 0.000 1.203 392 Y CA -3.252 54.944 58.100 0.160 0.000 1.092 392 Y CB 0.077 38.637 38.460 0.167 0.000 1.345 392 Y HN -0.110 nan 8.280 nan 0.000 0.458 393 P HA 0.160 nan 4.420 nan 0.000 0.268 393 P C -0.609 176.971 177.300 0.467 0.000 1.205 393 P CA 0.187 63.526 63.100 0.398 0.000 0.771 393 P CB 0.585 32.457 31.700 0.286 0.000 0.858 394 N N 0.537 119.521 118.700 0.473 0.000 2.447 394 N HA 0.090 4.846 4.740 0.027 0.000 0.271 394 N C 0.119 175.882 175.510 0.423 0.000 1.226 394 N CA -0.600 52.652 53.050 0.336 0.000 0.980 394 N CB 0.327 38.797 38.487 -0.030 0.000 1.206 394 N HN 0.597 nan 8.380 nan 0.000 0.558 395 H N 2.209 121.395 119.070 0.193 0.000 3.064 395 H HA -0.003 4.569 4.556 0.026 0.000 0.329 395 H C -1.625 173.883 175.328 0.299 0.000 1.020 395 H CA -0.815 55.332 56.048 0.166 0.000 1.402 395 H CB 0.968 30.792 29.762 0.104 0.000 1.379 395 H HN 0.435 nan 8.280 nan 0.000 0.594 396 P HA -0.207 nan 4.420 nan 0.000 0.217 396 P C 1.823 179.454 177.300 0.552 0.000 1.148 396 P CA 0.667 64.035 63.100 0.447 0.000 0.828 396 P CB 0.259 32.065 31.700 0.176 0.000 0.783 397 L N -0.811 120.804 121.223 0.653 0.000 2.191 397 L HA -0.068 4.288 4.340 0.027 0.000 0.212 397 L C 2.403 179.441 176.870 0.280 0.000 1.103 397 L CA 1.409 56.483 54.840 0.390 0.000 0.769 397 L CB -1.524 40.688 42.059 0.255 0.000 0.908 397 L HN 0.030 nan 8.230 nan 0.000 0.438 398 W N -0.453 120.887 121.300 0.067 0.000 2.321 398 W HA -0.341 4.334 4.660 0.026 0.000 0.306 398 W C 2.092 178.466 176.519 -0.240 0.000 1.217 398 W CA 2.007 59.253 57.345 -0.165 0.000 1.257 398 W CB -0.369 28.890 29.460 -0.335 0.000 1.145 398 W HN 0.285 nan 8.180 nan 0.000 0.509 399 Y N 0.668 120.901 120.300 -0.111 0.000 2.242 399 Y HA -0.184 4.381 4.550 0.026 0.000 0.291 399 Y C 2.821 178.519 175.900 -0.336 0.000 1.137 399 Y CA 2.069 59.899 58.100 -0.450 0.000 1.181 399 Y CB -1.298 36.528 38.460 -1.058 0.000 0.989 399 Y HN -0.221 nan 8.280 nan 0.000 0.527 400 T N 0.626 115.212 114.554 0.055 0.000 2.746 400 T HA -0.136 4.229 4.350 0.027 0.000 0.267 400 T C 1.981 176.720 174.700 0.065 0.000 1.039 400 T CA 1.363 63.557 62.100 0.157 0.000 1.142 400 T CB -0.529 68.467 68.868 0.215 0.000 0.866 400 T HN 0.241 nan 8.240 nan 0.000 0.444 401 L N 0.409 121.623 121.223 -0.015 0.000 2.056 401 L HA -0.066 4.290 4.340 0.027 0.000 0.207 401 L C 2.860 179.706 176.870 -0.040 0.000 1.078 401 L CA 0.824 55.680 54.840 0.026 0.000 0.749 401 L CB -0.792 41.248 42.059 -0.032 0.000 0.901 401 L HN 0.354 nan 8.230 nan 0.000 0.433 402 C N -0.158 118.943 119.300 -0.331 0.000 2.425 402 C HA -0.137 4.339 4.460 0.027 0.000 0.277 402 C C 2.420 177.450 174.990 0.067 0.000 1.280 402 C CA 0.373 59.236 59.018 -0.257 0.000 1.744 402 C CB -0.799 26.694 27.740 -0.411 0.000 1.989 402 C HN 0.537 nan 8.230 nan 0.000 0.491 403 D N 0.531 120.981 120.400 0.084 0.000 2.117 403 D HA -0.099 4.557 4.640 0.027 0.000 0.197 403 D C 2.391 178.908 176.300 0.361 0.000 0.987 403 D CA 1.191 55.327 54.000 0.226 0.000 0.829 403 D CB -0.358 40.530 40.800 0.147 0.000 0.961 403 D HN 0.541 nan 8.370 nan 0.000 0.460 404 R N -0.986 119.617 120.500 0.171 0.000 2.100 404 R HA 0.019 4.375 4.340 0.027 0.000 0.220 404 R C 2.035 178.318 176.300 -0.029 0.000 1.091 404 R CA 0.516 56.651 56.100 0.059 0.000 0.986 404 R CB -0.128 30.132 30.300 -0.067 0.000 0.888 404 R HN 0.291 nan 8.270 nan 0.000 0.444 405 Y N -0.067 120.244 120.300 0.018 0.000 2.490 405 Y HA 0.164 4.730 4.550 0.026 0.000 0.285 405 Y C 0.932 176.765 175.900 -0.110 0.000 1.117 405 Y CA 0.575 58.659 58.100 -0.026 0.000 1.262 405 Y CB 0.857 39.270 38.460 -0.077 0.000 1.043 405 Y HN 0.228 nan 8.280 nan 0.000 0.553 406 G N 1.330 110.171 108.800 0.069 0.000 2.894 406 G HA2 -0.156 3.820 3.960 0.027 0.000 0.263 406 G HA3 -0.156 3.820 3.960 0.027 0.000 0.263 406 G C -1.172 173.570 174.900 -0.264 0.000 1.013 406 G CA -0.562 44.440 45.100 -0.163 0.000 1.226 406 G HN 0.163 nan 8.290 nan 0.000 0.563 407 L N 0.886 122.034 121.223 -0.125 0.000 2.455 407 L HA 0.493 4.849 4.340 0.027 0.000 0.264 407 L C -0.028 176.836 176.870 -0.011 0.000 0.968 407 L CA -1.314 53.403 54.840 -0.204 0.000 0.827 407 L CB 2.016 43.980 42.059 -0.159 0.000 1.317 407 L HN 0.438 nan 8.230 nan 0.000 0.407 408 Y N 1.851 122.289 120.300 0.229 0.000 2.377 408 Y HA 0.371 4.938 4.550 0.029 0.000 0.330 408 Y C 0.215 176.244 175.900 0.215 0.000 1.108 408 Y CA -0.665 57.600 58.100 0.275 0.000 1.308 408 Y CB 1.208 39.807 38.460 0.232 0.000 1.216 408 Y HN 0.160 nan 8.280 nan 0.000 0.518 409 V N 4.286 124.385 119.914 0.308 0.000 2.680 409 V HA 0.343 4.479 4.120 0.027 0.000 0.309 409 V C -0.575 175.601 176.094 0.136 0.000 1.052 409 V CA -1.040 61.383 62.300 0.204 0.000 0.908 409 V CB 2.056 33.958 31.823 0.131 0.000 1.001 409 V HN 0.443 nan 8.190 nan 0.000 0.431 410 V N 2.951 122.914 119.914 0.081 0.000 2.333 410 V HA 0.337 4.473 4.120 0.027 0.000 0.274 410 V C -0.370 175.756 176.094 0.054 0.000 1.028 410 V CA -0.376 61.926 62.300 0.003 0.000 0.851 410 V CB 1.341 33.067 31.823 -0.162 0.000 1.000 410 V HN 0.869 nan 8.190 nan 0.000 0.456 411 D N 4.114 124.588 120.400 0.124 0.000 2.249 411 D HA 0.337 4.993 4.640 0.027 0.000 0.246 411 D C -0.257 176.238 176.300 0.324 0.000 1.114 411 D CA -0.130 54.041 54.000 0.285 0.000 0.854 411 D CB 1.443 42.475 40.800 0.387 0.000 1.132 411 D HN 0.705 nan 8.370 nan 0.000 0.461 412 E N 1.986 122.337 120.200 0.252 0.000 2.210 412 E HA 0.625 4.991 4.350 0.027 0.000 0.266 412 E C -1.078 175.659 176.600 0.228 0.000 0.883 412 E CA -1.057 55.479 56.400 0.227 0.000 0.761 412 E CB 1.379 31.165 29.700 0.144 0.000 1.156 412 E HN 0.442 nan 8.360 nan 0.000 0.412 413 A N 3.766 126.712 122.820 0.211 0.000 2.445 413 A HA 0.066 4.402 4.320 0.027 0.000 0.242 413 A C 0.359 178.064 177.584 0.202 0.000 1.075 413 A CA -0.223 51.916 52.037 0.170 0.000 0.777 413 A CB 0.134 19.197 19.000 0.106 0.000 1.013 413 A HN 0.721 nan 8.150 nan 0.000 0.493 414 N N 1.131 119.956 118.700 0.208 0.000 3.103 414 N HA 0.226 4.982 4.740 0.027 0.000 0.305 414 N C -1.012 174.619 175.510 0.202 0.000 1.232 414 N CA 0.231 53.435 53.050 0.258 0.000 1.190 414 N CB -0.879 37.758 38.487 0.250 0.000 1.461 414 N HN 0.478 nan 8.380 nan 0.000 0.538 415 I N 0.704 121.387 120.570 0.189 0.000 2.468 415 I HA 0.291 4.477 4.170 0.027 0.000 0.284 415 I C -0.496 175.717 176.117 0.161 0.000 1.038 415 I CA -0.631 60.763 61.300 0.156 0.000 1.083 415 I CB 1.694 39.760 38.000 0.109 0.000 1.223 415 I HN 0.209 nan 8.210 nan 0.000 0.443 416 E N 4.413 124.697 120.200 0.140 0.000 2.294 416 E HA 0.352 4.718 4.350 0.027 0.000 0.272 416 E C -0.651 175.985 176.600 0.059 0.000 0.896 416 E CA -0.467 55.984 56.400 0.086 0.000 0.802 416 E CB 1.555 31.283 29.700 0.046 0.000 1.267 416 E HN 0.604 nan 8.360 nan 0.000 0.406 417 T N 0.905 115.488 114.554 0.048 0.000 3.448 417 T HA 0.206 4.572 4.350 0.027 0.000 0.271 417 T C 0.717 175.411 174.700 -0.010 0.000 1.002 417 T CA -0.382 61.766 62.100 0.081 0.000 0.995 417 T CB -0.395 68.520 68.868 0.079 0.000 1.153 417 T HN 0.541 nan 8.240 nan 0.000 0.510 418 N N 1.087 119.697 118.700 -0.150 0.000 2.137 418 N HA -0.091 4.665 4.740 0.027 0.000 0.190 418 N C 1.997 177.387 175.510 -0.200 0.000 1.017 418 N CA 1.269 54.203 53.050 -0.192 0.000 0.859 418 N CB -0.302 38.028 38.487 -0.261 0.000 1.002 418 N HN 0.616 nan 8.380 nan 0.000 0.428 419 G N -0.053 108.554 108.800 -0.321 0.000 2.920 419 G HA2 0.043 4.019 3.960 0.027 0.000 0.208 419 G HA3 0.043 4.019 3.960 0.027 0.000 0.208 419 G C 0.429 175.433 174.900 0.173 0.000 1.159 419 G CA -0.151 44.852 45.100 -0.162 0.000 0.784 419 G HN 0.146 nan 8.290 nan 0.000 0.535 420 M N 0.466 120.187 119.600 0.203 0.000 2.228 420 M HA 0.321 4.817 4.480 0.027 0.000 0.326 420 M C -0.416 175.899 176.300 0.024 0.000 1.122 420 M CA -0.302 55.075 55.300 0.128 0.000 1.161 420 M CB 1.480 34.111 32.600 0.051 0.000 1.437 420 M HN -0.215 nan 8.290 nan 0.000 0.465 421 V N 3.736 123.648 119.914 -0.002 0.000 2.409 421 V HA 0.355 4.491 4.120 0.027 0.000 0.290 421 V C -1.936 174.141 176.094 -0.028 0.000 1.017 421 V CA -1.310 60.977 62.300 -0.023 0.000 0.841 421 V CB 1.581 33.388 31.823 -0.027 0.000 1.003 421 V HN 0.725 nan 8.190 nan 0.000 0.426 422 P HA 0.250 nan 4.420 nan 0.000 0.277 422 P C 1.032 178.321 177.300 -0.019 0.000 1.276 422 P CA -0.499 62.587 63.100 -0.025 0.000 0.788 422 P CB 1.065 32.755 31.700 -0.016 0.000 1.114 423 M N 0.476 120.067 119.600 -0.015 0.000 2.202 423 M HA -0.167 4.329 4.480 0.027 0.000 0.262 423 M C 1.250 177.566 176.300 0.027 0.000 1.063 423 M CA 1.856 57.156 55.300 -0.001 0.000 1.097 423 M CB -0.480 32.115 32.600 -0.008 0.000 1.382 423 M HN 0.378 nan 8.290 nan 0.000 0.413 424 N N -0.026 118.695 118.700 0.035 0.000 2.322 424 N HA -0.071 4.685 4.740 0.027 0.000 0.216 424 N C 1.078 176.576 175.510 -0.021 0.000 1.144 424 N CA 0.149 53.227 53.050 0.047 0.000 0.830 424 N CB -0.690 37.844 38.487 0.078 0.000 1.034 424 N HN 0.355 nan 8.380 nan 0.000 0.484 425 R N 0.494 120.964 120.500 -0.049 0.000 2.113 425 R HA -0.054 4.302 4.340 0.027 0.000 0.244 425 R C 1.536 177.746 176.300 -0.149 0.000 1.142 425 R CA 1.579 57.626 56.100 -0.089 0.000 0.953 425 R CB -0.098 30.143 30.300 -0.097 0.000 0.860 425 R HN 0.295 nan 8.270 nan 0.000 0.438 426 L N -0.581 120.491 121.223 -0.251 0.000 2.127 426 L HA -0.026 4.330 4.340 0.027 0.000 0.203 426 L C 2.570 179.323 176.870 -0.195 0.000 1.080 426 L CA 1.371 55.955 54.840 -0.427 0.000 0.768 426 L CB -0.609 40.934 42.059 -0.860 0.000 0.924 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -4.188 110.274 114.554 -0.153 0.000 3.007 427 T HA -0.179 4.187 4.350 0.027 0.000 0.270 427 T C 1.332 175.952 174.700 -0.134 0.000 1.107 427 T CA 1.318 63.310 62.100 -0.180 0.000 1.118 427 T CB -0.227 68.494 68.868 -0.246 0.000 0.889 427 T HN 0.118 nan 8.240 nan 0.000 0.506 428 D N 1.109 121.464 120.400 -0.074 0.000 2.349 428 D HA 0.111 4.767 4.640 0.027 0.000 0.214 428 D C -0.197 176.087 176.300 -0.027 0.000 1.063 428 D CA -0.200 53.765 54.000 -0.058 0.000 0.847 428 D CB -0.100 40.673 40.800 -0.044 0.000 0.933 428 D HN 0.359 nan 8.370 nan 0.000 0.513 429 D N -0.080 120.321 120.400 0.002 0.000 2.274 429 D HA 0.117 4.773 4.640 0.027 0.000 0.239 429 D C -1.629 174.718 176.300 0.079 0.000 1.104 429 D CA -2.178 51.856 54.000 0.057 0.000 0.840 429 D CB 2.016 42.894 40.800 0.130 0.000 1.100 429 D HN -0.043 nan 8.370 nan 0.000 0.477 430 P HA -0.115 nan 4.420 nan 0.000 0.220 430 P C 0.981 178.276 177.300 -0.009 0.000 1.148 430 P CA 0.763 63.868 63.100 0.007 0.000 0.803 430 P CB 0.305 32.000 31.700 -0.009 0.000 0.782 431 R N -1.591 118.903 120.500 -0.010 0.000 2.241 431 R HA -0.094 4.261 4.340 0.027 0.000 0.224 431 R C 1.671 177.819 176.300 -0.253 0.000 1.101 431 R CA 1.173 57.196 56.100 -0.128 0.000 0.995 431 R CB -0.599 29.610 30.300 -0.151 0.000 0.870 431 R HN 0.334 nan 8.270 nan 0.000 0.463 432 W N -0.142 121.101 121.300 -0.095 0.000 3.278 432 W HA 0.114 4.789 4.660 0.026 0.000 0.308 432 W C 1.557 178.015 176.519 -0.102 0.000 1.253 432 W CA -0.467 56.820 57.345 -0.096 0.000 1.759 432 W CB 0.016 29.418 29.460 -0.096 0.000 1.093 432 W HN 0.010 nan 8.180 nan 0.000 0.648 433 L N 2.066 123.308 121.223 0.032 0.000 2.079 433 L HA -0.060 4.296 4.340 0.027 0.000 0.210 433 L C -0.726 176.105 176.870 -0.066 0.000 1.081 433 L CA 2.206 57.029 54.840 -0.028 0.000 0.752 433 L CB -1.650 40.382 42.059 -0.045 0.000 0.896 433 L HN -0.231 nan 8.230 nan 0.000 0.433 434 P HA -0.102 nan 4.420 nan 0.000 0.215 434 P C 1.641 178.884 177.300 -0.096 0.000 1.157 434 P CA 2.045 65.079 63.100 -0.110 0.000 0.863 434 P CB -0.203 31.422 31.700 -0.124 0.000 0.787 435 A N -0.831 121.946 122.820 -0.071 0.000 1.902 435 A HA -0.210 4.126 4.320 0.027 0.000 0.217 435 A C 2.244 179.838 177.584 0.016 0.000 1.181 435 A CA 2.016 54.046 52.037 -0.011 0.000 0.623 435 A CB -1.514 17.512 19.000 0.044 0.000 0.818 435 A HN 0.097 nan 8.150 nan 0.000 0.443 436 M N 0.200 119.818 119.600 0.030 0.000 2.086 436 M HA -0.168 4.328 4.480 0.027 0.000 0.261 436 M C 2.588 178.829 176.300 -0.098 0.000 1.067 436 M CA 1.891 57.182 55.300 -0.015 0.000 1.116 436 M CB -0.429 32.143 32.600 -0.046 0.000 1.348 436 M HN 0.676 nan 8.290 nan 0.000 0.407 437 S N 0.361 115.973 115.700 -0.146 0.000 2.370 437 S HA -0.198 4.288 4.470 0.027 0.000 0.226 437 S C 1.601 176.022 174.600 -0.298 0.000 1.033 437 S CA 1.629 59.673 58.200 -0.261 0.000 1.011 437 S CB -0.601 62.423 63.200 -0.292 0.000 0.852 437 S HN 0.541 nan 8.310 nan 0.000 0.457 438 E N 0.756 120.833 120.200 -0.205 0.000 2.268 438 E HA -0.015 4.351 4.350 0.027 0.000 0.195 438 E C 2.373 178.880 176.600 -0.155 0.000 0.995 438 E CA 0.623 56.906 56.400 -0.195 0.000 0.836 438 E CB -0.090 29.533 29.700 -0.127 0.000 0.763 438 E HN 0.561 nan 8.360 nan 0.000 0.491 439 R N -0.028 120.410 120.500 -0.102 0.000 2.148 439 R HA -0.050 4.306 4.340 0.027 0.000 0.223 439 R C 2.135 178.387 176.300 -0.079 0.000 1.088 439 R CA 0.574 56.645 56.100 -0.047 0.000 0.985 439 R CB 0.132 30.443 30.300 0.018 0.000 0.880 439 R HN 0.022 nan 8.270 nan 0.000 0.451 440 V N 0.068 119.886 119.914 -0.160 0.000 2.374 440 V HA -0.172 3.964 4.120 0.027 0.000 0.241 440 V C 2.468 178.376 176.094 -0.310 0.000 1.034 440 V CA 2.100 64.285 62.300 -0.192 0.000 1.037 440 V CB -0.195 31.509 31.823 -0.198 0.000 0.682 440 V HN 0.506 nan 8.190 nan 0.000 0.463 441 T N -0.753 113.487 114.554 -0.525 0.000 2.746 441 T HA -0.254 4.112 4.350 0.027 0.000 0.267 441 T C 1.947 176.485 174.700 -0.269 0.000 1.039 441 T CA 1.469 63.177 62.100 -0.653 0.000 1.142 441 T CB -0.428 67.846 68.868 -0.989 0.000 0.866 441 T HN 0.381 nan 8.240 nan 0.000 0.444 442 R N 0.210 120.573 120.500 -0.229 0.000 2.148 442 R HA 0.175 4.531 4.340 0.027 0.000 0.227 442 R C 2.633 178.850 176.300 -0.138 0.000 1.103 442 R CA 1.372 57.376 56.100 -0.161 0.000 0.983 442 R CB -0.444 29.770 30.300 -0.143 0.000 0.874 442 R HN 0.514 nan 8.270 nan 0.000 0.451 443 M N 0.507 120.029 119.600 -0.129 0.000 2.077 443 M HA -0.137 4.359 4.480 0.027 0.000 0.261 443 M C 1.883 178.098 176.300 -0.141 0.000 1.070 443 M CA 1.646 56.898 55.300 -0.081 0.000 1.125 443 M CB 0.072 32.666 32.600 -0.009 0.000 1.339 443 M HN -0.035 nan 8.290 nan 0.000 0.409 444 V N 1.154 120.869 119.914 -0.331 0.000 2.332 444 V HA -0.306 3.830 4.120 0.027 0.000 0.248 444 V C 2.291 178.284 176.094 -0.169 0.000 1.055 444 V CA 2.101 64.106 62.300 -0.490 0.000 1.038 444 V CB -0.998 30.480 31.823 -0.576 0.000 0.651 444 V HN 0.600 nan 8.190 nan 0.000 0.450 445 Q N -0.725 119.004 119.800 -0.118 0.000 2.226 445 Q HA -0.223 4.133 4.340 0.027 0.000 0.204 445 Q C 2.467 178.385 176.000 -0.136 0.000 0.975 445 Q CA 1.533 57.274 55.803 -0.104 0.000 0.866 445 Q CB -0.175 28.521 28.738 -0.070 0.000 0.915 445 Q HN 0.547 nan 8.270 nan 0.000 0.440 446 R N 0.286 120.700 120.500 -0.144 0.000 2.080 446 R HA -0.080 4.276 4.340 0.027 0.000 0.222 446 R C 0.500 176.732 176.300 -0.113 0.000 1.107 446 R CA 1.242 57.234 56.100 -0.180 0.000 0.980 446 R CB 0.443 30.634 30.300 -0.182 0.000 0.879 446 R HN 0.145 nan 8.270 nan 0.000 0.439 447 D N -0.099 120.301 120.400 -0.000 0.000 2.398 447 D HA -0.000 4.656 4.640 0.027 0.000 0.210 447 D C 1.229 177.647 176.300 0.196 0.000 1.094 447 D CA 0.105 54.158 54.000 0.088 0.000 0.839 447 D CB 0.294 41.081 40.800 -0.020 0.000 0.963 447 D HN 0.370 nan 8.370 nan 0.000 0.506 448 R N 0.525 121.147 120.500 0.204 0.000 2.285 448 R HA 0.032 4.388 4.340 0.027 0.000 0.213 448 R C 0.739 177.051 176.300 0.021 0.000 1.068 448 R CA 0.784 57.015 56.100 0.217 0.000 1.004 448 R CB -0.251 30.117 30.300 0.113 0.000 0.873 448 R HN -0.093 nan 8.270 nan 0.000 0.467 449 N N 0.223 118.871 118.700 -0.087 0.000 2.336 449 N HA 0.004 4.760 4.740 0.027 0.000 0.189 449 N C -0.518 174.884 175.510 -0.180 0.000 1.113 449 N CA 0.237 53.204 53.050 -0.139 0.000 0.858 449 N CB 0.133 38.510 38.487 -0.183 0.000 0.970 449 N HN 0.276 nan 8.380 nan 0.000 0.471 450 H N 1.373 120.385 119.070 -0.096 0.000 2.668 450 H HA 0.113 4.684 4.556 0.026 0.000 0.303 450 H C -1.200 173.981 175.328 -0.245 0.000 1.074 450 H CA -1.301 54.674 56.048 -0.122 0.000 1.406 450 H CB 1.588 31.313 29.762 -0.062 0.000 1.442 450 H HN 0.044 nan 8.280 nan 0.000 0.482 451 P HA -0.167 nan 4.420 nan 0.000 0.218 451 P C 1.474 178.279 177.300 -0.826 0.000 1.149 451 P CA 1.231 63.962 63.100 -0.616 0.000 0.817 451 P CB 0.275 31.380 31.700 -0.991 0.000 0.785 452 S N -0.732 114.599 115.700 -0.616 0.000 2.399 452 S HA -0.057 4.429 4.470 0.027 0.000 0.231 452 S C 1.133 175.692 174.600 -0.068 0.000 1.022 452 S CA 0.460 58.471 58.200 -0.314 0.000 0.983 452 S CB -1.537 61.643 63.200 -0.034 0.000 0.803 452 S HN -0.052 nan 8.310 nan 0.000 0.480 453 V N 3.641 123.494 119.914 -0.102 0.000 2.439 453 V HA 0.213 4.349 4.120 0.027 0.000 0.271 453 V C 1.110 177.066 176.094 -0.230 0.000 1.040 453 V CA 0.082 62.294 62.300 -0.145 0.000 1.002 453 V CB 0.325 31.978 31.823 -0.284 0.000 1.000 453 V HN 0.639 nan 8.190 nan 0.000 0.477 454 I N 2.835 123.328 120.570 -0.128 0.000 4.187 454 I HA 0.493 4.679 4.170 0.027 0.000 0.326 454 I C 0.416 176.422 176.117 -0.186 0.000 1.302 454 I CA 0.524 61.754 61.300 -0.117 0.000 1.196 454 I CB 0.464 38.479 38.000 0.026 0.000 1.095 454 I HN 0.305 nan 8.210 nan 0.000 0.411 455 I N 0.230 120.673 120.570 -0.212 0.000 2.619 455 I HA 0.377 4.563 4.170 0.027 0.000 0.292 455 I C -1.488 174.526 176.117 -0.171 0.000 1.100 455 I CA -0.417 60.795 61.300 -0.145 0.000 1.043 455 I CB 2.073 40.083 38.000 0.017 0.000 1.239 455 I HN 0.029 nan 8.210 nan 0.000 0.420 456 W N 3.755 125.106 121.300 0.085 0.000 2.512 456 W HA 0.633 5.306 4.660 0.023 0.000 0.335 456 W C 0.323 176.911 176.519 0.114 0.000 1.088 456 W CA -0.651 56.751 57.345 0.095 0.000 1.236 456 W CB 1.742 31.254 29.460 0.086 0.000 1.307 456 W HN 0.311 nan 8.180 nan 0.000 0.567 457 S N 2.337 118.279 115.700 0.403 0.000 2.500 457 S HA 0.396 4.882 4.470 0.027 0.000 0.301 457 S C 0.173 174.945 174.600 0.287 0.000 1.092 457 S CA -0.708 57.677 58.200 0.308 0.000 1.030 457 S CB 0.860 64.197 63.200 0.228 0.000 1.031 457 S HN 0.585 nan 8.310 nan 0.000 0.483 458 L N 4.023 125.406 121.223 0.267 0.000 2.610 458 L HA 0.328 4.684 4.340 0.027 0.000 0.232 458 L C 1.436 178.359 176.870 0.088 0.000 1.149 458 L CA 0.571 55.480 54.840 0.116 0.000 0.872 458 L CB -1.169 40.849 42.059 -0.068 0.000 0.992 458 L HN 1.022 nan 8.230 nan 0.000 0.447 459 G N 0.009 108.954 108.800 0.241 0.000 2.265 459 G HA2 -0.134 3.842 3.960 0.027 0.000 0.246 459 G HA3 -0.134 3.842 3.960 0.027 0.000 0.246 459 G C -1.588 173.530 174.900 0.364 0.000 1.299 459 G CA -0.523 44.730 45.100 0.256 0.000 1.117 459 G HN 0.174 nan 8.290 nan 0.000 0.485 460 N N 0.169 119.036 118.700 0.277 0.000 2.367 460 N HA 0.468 5.224 4.740 0.027 0.000 0.278 460 N C -0.498 175.029 175.510 0.029 0.000 1.117 460 N CA 0.177 53.264 53.050 0.062 0.000 0.867 460 N CB 1.611 39.839 38.487 -0.431 0.000 1.649 460 N HN 0.904 nan 8.380 nan 0.000 0.479 461 E N 0.664 120.827 120.200 -0.060 0.000 2.197 461 E HA -0.171 4.195 4.350 0.027 0.000 0.184 461 E C -0.890 175.731 176.600 0.036 0.000 1.439 461 E CA 0.847 57.203 56.400 -0.074 0.000 0.688 461 E CB -1.316 28.273 29.700 -0.186 0.000 1.090 461 E HN 0.444 nan 8.360 nan 0.000 0.341 462 S N 0.003 115.827 115.700 0.206 0.000 2.977 462 S HA 0.410 4.896 4.470 0.027 0.000 0.250 462 S C 0.619 175.415 174.600 0.327 0.000 1.005 462 S CA -0.225 58.123 58.200 0.248 0.000 1.081 462 S CB 1.373 64.764 63.200 0.318 0.000 1.018 462 S HN 0.834 nan 8.310 nan 0.000 0.539 463 G N 2.047 110.973 108.800 0.210 0.000 2.598 463 G HA2 -0.276 3.700 3.960 0.027 0.000 0.269 463 G HA3 -0.276 3.700 3.960 0.027 0.000 0.269 463 G C -0.467 174.648 174.900 0.358 0.000 1.289 463 G CA -0.018 45.199 45.100 0.194 0.000 0.926 463 G HN 0.680 nan 8.290 nan 0.000 0.567 464 H N 0.511 119.706 119.070 0.208 0.000 2.800 464 H HA 0.572 5.144 4.556 0.027 0.000 0.322 464 H C 0.385 175.893 175.328 0.300 0.000 0.979 464 H CA -0.098 56.114 56.048 0.274 0.000 1.277 464 H CB 0.565 30.417 29.762 0.149 0.000 1.484 464 H HN 0.983 nan 8.280 nan 0.000 0.512 465 G N 1.546 110.473 108.800 0.211 0.000 2.568 465 G HA2 0.447 4.423 3.960 0.027 0.000 0.313 465 G HA3 0.447 4.423 3.960 0.027 0.000 0.313 465 G C 0.598 175.386 174.900 -0.186 0.000 1.227 465 G CA -0.155 44.891 45.100 -0.089 0.000 0.979 465 G HN 0.676 nan 8.290 nan 0.000 0.486 466 A N 0.234 122.966 122.820 -0.147 0.000 2.019 466 A HA -0.079 4.257 4.320 0.027 0.000 0.219 466 A C 2.125 179.684 177.584 -0.041 0.000 1.164 466 A CA 1.769 53.758 52.037 -0.081 0.000 0.644 466 A CB -0.408 18.566 19.000 -0.045 0.000 0.805 466 A HN 0.531 nan 8.150 nan 0.000 0.449 467 N N -0.197 118.442 118.700 -0.101 0.000 2.166 467 N HA -0.141 4.615 4.740 0.027 0.000 0.186 467 N C 1.408 176.852 175.510 -0.110 0.000 1.019 467 N CA 1.728 54.702 53.050 -0.127 0.000 0.856 467 N CB -0.676 37.695 38.487 -0.192 0.000 0.993 467 N HN 0.782 nan 8.380 nan 0.000 0.426 468 H N 0.465 119.522 119.070 -0.022 0.000 2.321 468 H HA -0.034 4.537 4.556 0.026 0.000 0.300 468 H C 1.297 176.698 175.328 0.121 0.000 1.087 468 H CA 1.350 57.395 56.048 -0.004 0.000 1.319 468 H CB 0.119 29.904 29.762 0.037 0.000 1.379 468 H HN 0.186 nan 8.280 nan 0.000 0.501 469 D N 0.392 120.958 120.400 0.276 0.000 2.123 469 D HA -0.154 4.502 4.640 0.027 0.000 0.196 469 D C 2.304 178.754 176.300 0.251 0.000 0.992 469 D CA 1.190 55.345 54.000 0.258 0.000 0.833 469 D CB -0.409 40.503 40.800 0.188 0.000 0.954 469 D HN 0.436 nan 8.370 nan 0.000 0.455 470 A N 0.862 123.779 122.820 0.162 0.000 1.877 470 A HA -0.136 4.200 4.320 0.027 0.000 0.216 470 A C 2.428 180.125 177.584 0.187 0.000 1.186 470 A CA 1.029 53.153 52.037 0.145 0.000 0.620 470 A CB -0.781 18.259 19.000 0.068 0.000 0.822 470 A HN 0.210 nan 8.150 nan 0.000 0.443 471 L N -2.206 119.111 121.223 0.156 0.000 2.156 471 L HA -0.122 4.234 4.340 0.027 0.000 0.208 471 L C 2.543 179.562 176.870 0.250 0.000 1.095 471 L CA 1.356 56.290 54.840 0.156 0.000 0.770 471 L CB -0.646 41.433 42.059 0.033 0.000 0.914 471 L HN 0.607 nan 8.230 nan 0.000 0.439 472 Y N 1.356 121.748 120.300 0.154 0.000 2.097 472 Y HA -0.343 4.220 4.550 0.022 0.000 0.282 472 Y C 2.839 178.832 175.900 0.155 0.000 1.152 472 Y CA 1.873 60.068 58.100 0.159 0.000 1.136 472 Y CB -0.137 38.418 38.460 0.160 0.000 0.975 472 Y HN -0.034 nan 8.280 nan 0.000 0.498 473 R N -0.238 120.407 120.500 0.241 0.000 2.096 473 R HA -0.201 4.155 4.340 0.027 0.000 0.235 473 R C 2.066 178.395 176.300 0.050 0.000 1.127 473 R CA 1.888 58.052 56.100 0.107 0.000 0.968 473 R CB -1.337 29.091 30.300 0.214 0.000 0.861 473 R HN 0.655 nan 8.270 nan 0.000 0.440 474 W N 0.425 121.695 121.300 -0.050 0.000 2.335 474 W HA -0.154 4.522 4.660 0.027 0.000 0.311 474 W C 1.574 178.009 176.519 -0.140 0.000 1.213 474 W CA 1.926 59.222 57.345 -0.081 0.000 1.274 474 W CB -0.217 29.198 29.460 -0.075 0.000 1.148 474 W HN 0.080 nan 8.180 nan 0.000 0.498 475 I N 0.770 121.355 120.570 0.025 0.000 2.315 475 I HA -0.317 3.869 4.170 0.027 0.000 0.248 475 I C 2.375 178.303 176.117 -0.314 0.000 1.117 475 I CA 1.197 62.355 61.300 -0.236 0.000 1.404 475 I CB -0.628 37.308 38.000 -0.107 0.000 1.071 475 I HN -0.110 nan 8.210 nan 0.000 0.419 476 K N 0.280 120.501 120.400 -0.298 0.000 2.147 476 K HA -0.140 4.196 4.320 0.027 0.000 0.205 476 K C 2.279 178.747 176.600 -0.220 0.000 1.049 476 K CA 1.474 57.603 56.287 -0.262 0.000 0.936 476 K CB -0.439 31.875 32.500 -0.310 0.000 0.722 476 K HN 0.281 nan 8.250 nan 0.000 0.446 477 S N 0.994 116.529 115.700 -0.274 0.000 2.377 477 S HA -0.086 4.400 4.470 0.027 0.000 0.223 477 S C 2.101 176.488 174.600 -0.355 0.000 1.030 477 S CA 1.179 59.219 58.200 -0.266 0.000 0.970 477 S CB -0.196 62.864 63.200 -0.233 0.000 0.830 477 S HN 0.125 nan 8.310 nan 0.000 0.473 478 V N -0.697 118.861 119.914 -0.594 0.000 2.591 478 V HA 0.231 4.367 4.120 0.027 0.000 0.249 478 V C 0.492 176.358 176.094 -0.380 0.000 1.053 478 V CA 1.604 63.538 62.300 -0.610 0.000 1.068 478 V CB -0.614 30.553 31.823 -1.092 0.000 0.689 478 V HN 0.493 nan 8.190 nan 0.000 0.462 479 D N 0.242 120.471 120.400 -0.286 0.000 2.429 479 D HA 0.383 5.039 4.640 0.027 0.000 0.255 479 D C -2.399 173.897 176.300 -0.006 0.000 1.257 479 D CA -1.821 52.123 54.000 -0.092 0.000 0.890 479 D CB 1.604 42.440 40.800 0.060 0.000 1.267 479 D HN 0.154 nan 8.370 nan 0.000 0.521 480 P HA -0.016 nan 4.420 nan 0.000 0.242 480 P C 1.055 178.375 177.300 0.034 0.000 1.197 480 P CA 0.489 63.585 63.100 -0.007 0.000 0.765 480 P CB 0.133 31.824 31.700 -0.016 0.000 0.936 481 S N -1.740 113.990 115.700 0.050 0.000 2.562 481 S HA 0.115 4.601 4.470 0.027 0.000 0.221 481 S C 0.853 175.478 174.600 0.042 0.000 0.975 481 S CA -0.107 58.126 58.200 0.054 0.000 0.918 481 S CB -0.245 62.982 63.200 0.046 0.000 0.772 481 S HN 0.042 nan 8.310 nan 0.000 0.531 482 R N 1.216 121.749 120.500 0.056 0.000 2.628 482 R HA 0.544 4.899 4.340 0.027 0.000 0.288 482 R C -3.187 173.151 176.300 0.062 0.000 0.980 482 R CA -2.200 53.895 56.100 -0.008 0.000 0.891 482 R CB 1.590 31.766 30.300 -0.206 0.000 1.188 482 R HN 0.137 nan 8.270 nan 0.000 0.450 483 P HA 0.070 nan 4.420 nan 0.000 0.271 483 P C -0.832 176.563 177.300 0.159 0.000 1.233 483 P CA -0.355 62.803 63.100 0.096 0.000 0.789 483 P CB 0.659 32.406 31.700 0.077 0.000 0.951 484 V N 2.040 122.075 119.914 0.201 0.000 2.495 484 V HA 0.434 4.570 4.120 0.027 0.000 0.298 484 V C 0.178 176.457 176.094 0.308 0.000 1.031 484 V CA -0.286 62.182 62.300 0.280 0.000 0.871 484 V CB 1.166 33.109 31.823 0.200 0.000 0.988 484 V HN 0.620 nan 8.190 nan 0.000 0.432 485 Q N 3.715 123.685 119.800 0.284 0.000 2.484 485 Q HA 0.818 5.173 4.340 0.027 0.000 0.285 485 Q C -1.868 174.310 176.000 0.296 0.000 1.097 485 Q CA -0.961 54.980 55.803 0.230 0.000 0.802 485 Q CB 3.018 31.838 28.738 0.136 0.000 1.444 485 Q HN 0.634 nan 8.270 nan 0.000 0.429 486 Y N 0.074 120.401 120.300 0.045 0.000 2.409 486 Y HA 0.150 4.714 4.550 0.024 0.000 0.321 486 Y C -0.654 175.205 175.900 -0.069 0.000 1.209 486 Y CA -0.743 57.352 58.100 -0.008 0.000 1.086 486 Y CB 2.004 40.451 38.460 -0.021 0.000 1.320 486 Y HN 0.949 nan 8.280 nan 0.000 0.440 487 E N 3.406 123.131 120.200 -0.792 0.000 2.340 487 E HA 0.146 4.512 4.350 0.027 0.000 0.194 487 E C 0.669 176.847 176.600 -0.703 0.000 0.996 487 E CA 0.756 56.801 56.400 -0.592 0.000 0.869 487 E CB 0.243 29.739 29.700 -0.341 0.000 0.835 487 E HN 0.895 nan 8.360 nan 0.000 0.493 488 G N 0.022 108.041 108.800 -1.301 0.000 2.464 488 G HA2 0.208 4.184 3.960 0.027 0.000 0.231 488 G HA3 0.208 4.184 3.960 0.027 0.000 0.231 488 G C 0.824 175.576 174.900 -0.246 0.000 1.267 488 G CA 0.378 45.098 45.100 -0.634 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.324 108.444 108.800 -0.054 0.000 2.147 489 G HA2 0.237 4.213 3.960 0.027 0.000 0.244 489 G HA3 0.237 4.213 3.960 0.027 0.000 0.244 489 G C 1.301 176.206 174.900 0.008 0.000 1.005 489 G CA 0.902 46.025 45.100 0.039 0.000 0.713 489 G HN 2.669 nan 8.290 nan 0.000 0.515 490 G N -1.252 107.549 108.800 0.003 0.000 2.184 490 G HA2 0.410 4.386 3.960 0.027 0.000 0.206 490 G HA3 0.410 4.386 3.960 0.027 0.000 0.206 490 G C 1.136 176.152 174.900 0.194 0.000 0.995 490 G CA 1.302 46.465 45.100 0.106 0.000 0.651 490 G HN 2.362 nan 8.290 nan 0.000 0.511 491 A N -0.301 122.518 122.820 -0.001 0.000 3.413 491 A HA -0.153 4.183 4.320 0.027 0.000 0.268 491 A C 1.222 178.737 177.584 -0.115 0.000 1.128 491 A CA 2.708 54.683 52.037 -0.102 0.000 1.062 491 A CB -1.723 17.197 19.000 -0.134 0.000 1.121 491 A HN 2.129 nan 8.150 nan 0.000 0.895 492 D N -1.016 119.399 120.400 0.026 0.000 2.636 492 D HA 0.277 4.933 4.640 0.027 0.000 0.270 492 D C 0.494 176.793 176.300 -0.001 0.000 1.430 492 D CA 0.890 54.917 54.000 0.045 0.000 0.796 492 D CB -1.181 39.792 40.800 0.290 0.000 1.117 492 D HN 0.817 nan 8.370 nan 0.000 0.480 493 T N -2.085 112.398 114.554 -0.118 0.000 2.689 493 T HA 0.172 4.538 4.350 0.027 0.000 0.308 493 T C 1.525 176.094 174.700 -0.217 0.000 1.021 493 T CA 0.567 62.527 62.100 -0.234 0.000 0.973 493 T CB 0.561 69.054 68.868 -0.626 0.000 1.113 493 T HN 0.071 nan 8.240 nan 0.000 0.522 494 T N -2.589 111.829 114.554 -0.226 0.000 3.160 494 T HA 0.330 4.696 4.350 0.027 0.000 0.257 494 T C 1.388 175.830 174.700 -0.431 0.000 1.147 494 T CA 0.116 62.090 62.100 -0.211 0.000 1.064 494 T CB -0.398 68.428 68.868 -0.070 0.000 0.949 494 T HN 0.821 nan 8.240 nan 0.000 0.526 495 A N 0.570 123.170 122.820 -0.367 0.000 2.500 495 A HA 0.525 4.861 4.320 0.027 0.000 0.267 495 A C 0.754 178.193 177.584 -0.242 0.000 1.290 495 A CA -0.386 51.396 52.037 -0.425 0.000 0.928 495 A CB 0.117 19.142 19.000 0.043 0.000 1.066 495 A HN 0.399 nan 8.150 nan 0.000 0.516 496 T N -1.270 113.152 114.554 -0.219 0.000 2.916 496 T HA 0.380 4.746 4.350 0.027 0.000 0.298 496 T C -0.571 174.169 174.700 0.066 0.000 1.031 496 T CA -0.418 61.699 62.100 0.029 0.000 0.993 496 T CB 1.216 70.089 68.868 0.008 0.000 1.045 496 T HN 0.088 nan 8.240 nan 0.000 0.454 497 D N 2.967 123.484 120.400 0.195 0.000 2.348 497 D HA 0.280 4.936 4.640 0.027 0.000 0.211 497 D C 0.291 176.629 176.300 0.064 0.000 0.998 497 D CA 0.669 54.762 54.000 0.155 0.000 0.873 497 D CB 0.384 41.304 40.800 0.199 0.000 0.925 497 D HN 0.532 nan 8.370 nan 0.000 0.524 498 I N 0.788 121.378 120.570 0.033 0.000 2.545 498 I HA 0.258 4.444 4.170 0.027 0.000 0.292 498 I C -0.256 175.800 176.117 -0.101 0.000 1.040 498 I CA -0.902 60.381 61.300 -0.028 0.000 1.068 498 I CB 2.853 40.848 38.000 -0.008 0.000 1.251 498 I HN -0.348 nan 8.210 nan 0.000 0.424 499 I N 5.673 126.133 120.570 -0.182 0.000 2.421 499 I HA 0.067 4.252 4.170 0.027 0.000 0.291 499 I C 0.152 176.057 176.117 -0.354 0.000 1.089 499 I CA -0.033 61.056 61.300 -0.351 0.000 1.354 499 I CB 0.123 37.794 38.000 -0.548 0.000 1.413 499 I HN 0.660 nan 8.210 nan 0.000 0.513 500 C N 5.781 124.899 119.300 -0.303 0.000 3.276 500 C HA 0.494 4.970 4.460 0.027 0.000 0.226 500 C C -2.166 172.703 174.990 -0.203 0.000 1.502 500 C CA -2.324 56.571 59.018 -0.205 0.000 1.488 500 C CB -0.956 26.725 27.740 -0.100 0.000 2.014 500 C HN 0.409 nan 8.230 nan 0.000 0.492 501 P HA 0.328 nan 4.420 nan 0.000 0.274 501 P C -0.448 176.812 177.300 -0.067 0.000 1.246 501 P CA 0.201 63.212 63.100 -0.147 0.000 0.795 501 P CB 0.824 32.445 31.700 -0.130 0.000 1.006 502 M N 0.143 119.732 119.600 -0.019 0.000 2.227 502 M HA 0.438 4.934 4.480 0.027 0.000 0.335 502 M C -0.755 175.544 176.300 -0.003 0.000 1.053 502 M CA -0.628 54.570 55.300 -0.171 0.000 0.973 502 M CB 1.123 33.616 32.600 -0.179 0.000 1.623 502 M HN 0.313 nan 8.290 nan 0.000 0.434 503 Y N -0.146 120.329 120.300 0.292 0.000 4.409 503 Y HA -0.236 4.331 4.550 0.028 0.000 0.228 503 Y C 0.559 176.640 175.900 0.301 0.000 1.108 503 Y CA 0.485 58.761 58.100 0.294 0.000 1.955 503 Y CB -2.313 36.293 38.460 0.243 0.000 1.615 503 Y HN 0.975 nan 8.280 nan 0.000 0.665 504 A N 1.079 124.118 122.820 0.365 0.000 2.425 504 A HA 0.547 4.883 4.320 0.027 0.000 0.249 504 A C 0.748 178.562 177.584 0.384 0.000 1.084 504 A CA -0.435 51.827 52.037 0.375 0.000 0.781 504 A CB 0.379 19.645 19.000 0.444 0.000 1.019 504 A HN 0.422 nan 8.150 nan 0.000 0.490 505 R N 1.298 121.955 120.500 0.261 0.000 2.577 505 R HA 0.315 4.671 4.340 0.027 0.000 0.269 505 R C 0.996 177.277 176.300 -0.031 0.000 1.084 505 R CA -0.662 55.518 56.100 0.133 0.000 1.163 505 R CB 0.618 30.962 30.300 0.074 0.000 1.100 505 R HN 0.492 nan 8.270 nan 0.000 0.547 506 V N 0.709 120.449 119.914 -0.290 0.000 2.323 506 V HA -0.190 3.946 4.120 0.027 0.000 0.244 506 V C 0.983 176.967 176.094 -0.184 0.000 1.041 506 V CA 1.847 63.934 62.300 -0.356 0.000 1.025 506 V CB -0.251 31.225 31.823 -0.578 0.000 0.656 506 V HN 0.751 nan 8.190 nan 0.000 0.451 507 D N -1.364 118.957 120.400 -0.131 0.000 2.454 507 D HA 0.092 4.748 4.640 0.027 0.000 0.219 507 D C 0.933 177.217 176.300 -0.026 0.000 1.081 507 D CA 0.071 54.028 54.000 -0.072 0.000 0.867 507 D CB 0.725 41.484 40.800 -0.067 0.000 1.054 507 D HN 0.484 nan 8.370 nan 0.000 0.500 508 E N 1.917 122.106 120.200 -0.017 0.000 2.200 508 E HA 0.111 4.477 4.350 0.027 0.000 0.283 508 E C -0.822 175.782 176.600 0.006 0.000 1.015 508 E CA -0.585 55.813 56.400 -0.003 0.000 0.819 508 E CB 1.009 30.708 29.700 -0.002 0.000 1.081 508 E HN -0.190 nan 8.360 nan 0.000 0.397 509 D N 3.568 123.973 120.400 0.009 0.000 2.313 509 D HA 0.136 4.792 4.640 0.027 0.000 0.247 509 D C -0.572 175.627 176.300 -0.168 0.000 1.094 509 D CA 0.184 54.185 54.000 0.002 0.000 0.925 509 D CB 1.180 42.061 40.800 0.134 0.000 1.188 509 D HN 0.426 nan 8.370 nan 0.000 0.430 510 Q N 1.251 120.821 119.800 -0.383 0.000 3.090 510 Q HA 0.227 4.583 4.340 0.027 0.000 0.241 510 Q C -2.230 173.120 176.000 -1.083 0.000 0.958 510 Q CA -1.450 53.912 55.803 -0.736 0.000 0.715 510 Q CB 2.380 30.658 28.738 -0.766 0.000 1.298 510 Q HN 0.164 nan 8.270 nan 0.000 0.468 511 P HA -0.018 nan 4.420 nan 0.000 0.228 511 P C -0.655 176.335 177.300 -0.517 0.000 1.748 511 P CA -0.078 62.604 63.100 -0.696 0.000 0.909 511 P CB -0.675 30.843 31.700 -0.303 0.000 1.882 512 F N 2.365 122.139 119.950 -0.292 0.000 2.607 512 F HA 0.102 4.644 4.527 0.025 0.000 0.374 512 F C -1.021 174.672 175.800 -0.179 0.000 1.104 512 F CA -2.143 55.743 58.000 -0.190 0.000 1.296 512 F CB -0.731 38.176 39.000 -0.154 0.000 1.085 512 F HN 0.084 nan 8.300 nan 0.000 0.584 513 P HA 0.089 nan 4.420 nan 0.000 0.269 513 P C 0.406 177.722 177.300 0.026 0.000 1.209 513 P CA 0.880 63.997 63.100 0.028 0.000 0.776 513 P CB 1.226 32.943 31.700 0.028 0.000 0.876 514 A N 2.533 125.362 122.820 0.015 0.000 2.617 514 A HA -0.251 4.085 4.320 0.027 0.000 0.236 514 A C 0.728 178.323 177.584 0.018 0.000 0.551 514 A CA 2.041 54.093 52.037 0.023 0.000 1.144 514 A CB -2.734 16.280 19.000 0.022 0.000 1.384 514 A HN 0.732 nan 8.150 nan 0.000 0.694 515 V N -3.001 116.918 119.914 0.008 0.000 2.405 515 V HA 0.572 4.708 4.120 0.027 0.000 0.253 515 V C -2.432 173.643 176.094 -0.031 0.000 0.963 515 V CA -1.316 60.988 62.300 0.006 0.000 1.003 515 V CB 0.647 32.480 31.823 0.016 0.000 1.251 515 V HN 0.471 nan 8.190 nan 0.000 0.520 516 P HA 0.266 nan 4.420 nan 0.000 0.269 516 P C -0.601 176.232 177.300 -0.778 0.000 1.215 516 P CA 0.124 62.802 63.100 -0.704 0.000 0.780 516 P CB 1.000 31.776 31.700 -1.539 0.000 0.898 517 K N 2.120 122.095 120.400 -0.709 0.000 2.478 517 K HA 0.204 4.540 4.320 0.027 0.000 0.236 517 K C -0.465 175.803 176.600 -0.553 0.000 1.021 517 K CA -0.305 55.764 56.287 -0.364 0.000 1.010 517 K CB 0.365 32.950 32.500 0.142 0.000 1.331 517 K HN 0.459 nan 8.250 nan 0.000 0.470 518 W N 1.254 122.207 121.300 -0.580 0.000 2.093 518 W HA 0.053 4.729 4.660 0.027 0.000 0.352 518 W C 1.335 177.861 176.519 0.012 0.000 1.294 518 W CA -0.442 56.681 57.345 -0.370 0.000 1.290 518 W CB 0.354 29.440 29.460 -0.624 0.000 1.149 518 W HN 0.345 nan 8.180 nan 0.000 0.606 519 S N 2.890 118.750 115.700 0.267 0.000 2.558 519 S HA -0.090 4.396 4.470 0.027 0.000 0.293 519 S C 1.192 175.953 174.600 0.268 0.000 1.292 519 S CA -0.084 58.221 58.200 0.175 0.000 1.063 519 S CB 0.123 63.372 63.200 0.082 0.000 0.831 519 S HN 0.515 nan 8.310 nan 0.000 0.499 520 I N 2.273 122.959 120.570 0.194 0.000 2.286 520 I HA -0.139 4.047 4.170 0.027 0.000 0.248 520 I C 2.001 178.150 176.117 0.054 0.000 1.115 520 I CA 1.277 62.691 61.300 0.189 0.000 1.392 520 I CB -0.410 37.652 38.000 0.102 0.000 1.065 520 I HN 0.591 nan 8.210 nan 0.000 0.418 521 K N 1.546 121.873 120.400 -0.121 0.000 2.097 521 K HA -0.149 4.187 4.320 0.027 0.000 0.205 521 K C 2.287 178.889 176.600 0.003 0.000 1.050 521 K CA 1.640 57.768 56.287 -0.266 0.000 0.938 521 K CB -0.193 32.053 32.500 -0.424 0.000 0.718 521 K HN 0.402 nan 8.250 nan 0.000 0.442 522 K N 0.142 120.568 120.400 0.044 0.000 2.103 522 K HA -0.165 4.171 4.320 0.027 0.000 0.204 522 K C 1.866 178.507 176.600 0.069 0.000 1.052 522 K CA 0.835 57.139 56.287 0.028 0.000 0.945 522 K CB -0.093 32.391 32.500 -0.026 0.000 0.722 522 K HN 0.204 nan 8.250 nan 0.000 0.443 523 W N 2.187 123.489 121.300 0.004 0.000 2.321 523 W HA -0.202 4.470 4.660 0.020 0.000 0.306 523 W C 1.623 178.141 176.519 -0.003 0.000 1.217 523 W CA 1.212 58.578 57.345 0.034 0.000 1.257 523 W CB -0.593 28.964 29.460 0.161 0.000 1.145 523 W HN 0.105 nan 8.180 nan 0.000 0.509 524 L N 0.767 122.157 121.223 0.278 0.000 2.127 524 L HA -0.237 4.119 4.340 0.027 0.000 0.211 524 L C 2.281 179.226 176.870 0.126 0.000 1.089 524 L CA 1.923 56.861 54.840 0.162 0.000 0.757 524 L CB -0.954 41.187 42.059 0.136 0.000 0.899 524 L HN -0.021 nan 8.230 nan 0.000 0.434 525 S N -1.352 114.409 115.700 0.101 0.000 2.577 525 S HA 0.231 4.717 4.470 0.027 0.000 0.219 525 S C 0.649 175.246 174.600 -0.004 0.000 0.962 525 S CA -0.508 57.720 58.200 0.047 0.000 0.921 525 S CB -0.405 62.820 63.200 0.042 0.000 0.789 525 S HN 0.155 nan 8.310 nan 0.000 0.497 526 L N 2.056 123.269 121.223 -0.016 0.000 2.529 526 L HA 0.189 4.545 4.340 0.027 0.000 0.287 526 L C -2.256 174.590 176.870 -0.040 0.000 1.241 526 L CA -1.567 53.215 54.840 -0.097 0.000 0.857 526 L CB -0.349 41.629 42.059 -0.135 0.000 1.113 526 L HN 0.017 nan 8.230 nan 0.000 0.504 527 P HA -0.011 nan 4.420 nan 0.000 0.260 527 P C 0.740 178.036 177.300 -0.006 0.000 1.185 527 P CA 1.043 64.124 63.100 -0.032 0.000 0.763 527 P CB 0.550 32.224 31.700 -0.043 0.000 0.776 528 G N 2.041 110.845 108.800 0.006 0.000 2.225 528 G HA2 -0.267 3.709 3.960 0.027 0.000 0.254 528 G HA3 -0.267 3.709 3.960 0.027 0.000 0.254 528 G C 0.308 175.228 174.900 0.034 0.000 0.988 528 G CA 0.006 45.117 45.100 0.019 0.000 0.625 528 G HN 0.599 nan 8.290 nan 0.000 0.527 529 E N 1.203 121.430 120.200 0.045 0.000 2.360 529 E HA 0.556 4.922 4.350 0.027 0.000 0.269 529 E C 1.422 178.053 176.600 0.052 0.000 1.022 529 E CA 0.874 57.315 56.400 0.069 0.000 0.887 529 E CB 0.754 30.527 29.700 0.121 0.000 0.990 529 E HN 0.594 nan 8.360 nan 0.000 0.426 530 T N 0.561 115.141 114.554 0.043 0.000 3.080 530 T HA 0.320 4.686 4.350 0.027 0.000 0.280 530 T C 0.619 175.332 174.700 0.022 0.000 0.926 530 T CA -0.450 61.669 62.100 0.032 0.000 0.883 530 T CB 0.108 68.993 68.868 0.029 0.000 1.194 530 T HN 0.245 nan 8.240 nan 0.000 0.541 531 R N 2.282 122.791 120.500 0.015 0.000 2.649 531 R HA 0.461 4.817 4.340 0.027 0.000 0.270 531 R C -2.481 173.803 176.300 -0.026 0.000 1.105 531 R CA -1.802 54.296 56.100 -0.004 0.000 1.193 531 R CB 0.009 30.300 30.300 -0.015 0.000 1.120 531 R HN 0.236 nan 8.270 nan 0.000 0.561 532 P HA 0.106 nan 4.420 nan 0.000 0.276 532 P C -1.102 176.131 177.300 -0.112 0.000 1.252 532 P CA -0.126 62.936 63.100 -0.065 0.000 0.802 532 P CB 0.703 32.365 31.700 -0.063 0.000 1.035 533 L N 2.208 123.346 121.223 -0.142 0.000 2.381 533 L HA 0.590 4.946 4.340 0.027 0.000 0.274 533 L C -1.053 175.677 176.870 -0.235 0.000 0.988 533 L CA -0.734 53.983 54.840 -0.205 0.000 0.824 533 L CB 0.759 42.690 42.059 -0.214 0.000 1.263 533 L HN 0.238 nan 8.230 nan 0.000 0.410 534 I N 5.663 126.099 120.570 -0.223 0.000 2.500 534 I HA 0.253 4.439 4.170 0.027 0.000 0.286 534 I C -0.745 175.279 176.117 -0.156 0.000 1.063 534 I CA -0.541 60.611 61.300 -0.247 0.000 1.062 534 I CB 2.022 39.937 38.000 -0.142 0.000 1.223 534 I HN 0.485 nan 8.210 nan 0.000 0.435 535 L N 5.593 126.691 121.223 -0.208 0.000 2.513 535 L HA 0.007 4.363 4.340 0.027 0.000 0.272 535 L C 1.534 178.486 176.870 0.137 0.000 1.187 535 L CA -0.096 54.695 54.840 -0.081 0.000 0.895 535 L CB 0.605 42.586 42.059 -0.130 0.000 1.147 535 L HN 0.870 nan 8.230 nan 0.000 0.483 536 C N 0.404 119.770 119.300 0.111 0.000 2.448 536 C HA 0.112 4.588 4.460 0.027 0.000 0.280 536 C C 0.643 175.798 174.990 0.276 0.000 1.398 536 C CA -0.139 58.997 59.018 0.197 0.000 1.774 536 C CB -1.066 26.704 27.740 0.050 0.000 1.888 536 C HN 0.824 nan 8.230 nan 0.000 0.519 537 E N -0.899 119.390 120.200 0.147 0.000 2.335 537 E HA 0.622 4.988 4.350 0.027 0.000 0.280 537 E C -1.366 175.188 176.600 -0.077 0.000 0.918 537 E CA -0.418 56.056 56.400 0.122 0.000 0.765 537 E CB 2.026 31.650 29.700 -0.126 0.000 1.218 537 E HN 0.674 nan 8.360 nan 0.000 0.425 538 Y N -1.193 119.093 120.300 -0.023 0.000 2.713 538 Y HA 0.606 5.173 4.550 0.029 0.000 0.335 538 Y C -0.839 175.233 175.900 0.286 0.000 1.222 538 Y CA -0.852 57.245 58.100 -0.003 0.000 1.061 538 Y CB 0.815 39.125 38.460 -0.250 0.000 1.314 538 Y HN 0.684 nan 8.280 nan 0.000 0.453 539 A N 1.958 124.822 122.820 0.073 0.000 2.303 539 A HA -0.258 4.078 4.320 0.027 0.000 0.286 539 A C -0.485 177.220 177.584 0.202 0.000 1.429 539 A CA 1.041 53.126 52.037 0.079 0.000 0.738 539 A CB -2.406 16.547 19.000 -0.079 0.000 1.149 539 A HN 1.118 nan 8.150 nan 0.000 0.364 540 H N 0.953 120.174 119.070 0.252 0.000 3.145 540 H HA 0.309 4.880 4.556 0.026 0.000 0.263 540 H C 1.049 176.438 175.328 0.102 0.000 1.057 540 H CA 0.785 57.003 56.048 0.282 0.000 1.477 540 H CB 0.447 30.257 29.762 0.081 0.000 1.529 540 H HN 0.816 nan 8.280 nan 0.000 0.508 541 A N 6.704 129.448 122.820 -0.126 0.000 2.916 541 A HA 0.067 4.403 4.320 0.027 0.000 0.254 541 A C 0.851 178.258 177.584 -0.295 0.000 1.544 541 A CA -0.403 51.515 52.037 -0.199 0.000 1.224 541 A CB -0.697 18.186 19.000 -0.194 0.000 1.012 541 A HN 0.806 nan 8.150 nan 0.000 0.636 542 M N 1.581 121.014 119.600 -0.279 0.000 2.156 542 M HA 0.445 4.941 4.480 0.027 0.000 0.345 542 M C 0.990 177.062 176.300 -0.381 0.000 1.398 542 M CA 1.247 56.370 55.300 -0.295 0.000 1.148 542 M CB -0.229 32.290 32.600 -0.136 0.000 1.663 542 M HN 0.851 nan 8.290 nan 0.000 0.464 543 G N 4.256 112.757 108.800 -0.499 0.000 2.547 543 G HA2 -0.340 3.636 3.960 0.027 0.000 0.271 543 G HA3 -0.340 3.636 3.960 0.027 0.000 0.271 543 G C -0.205 174.094 174.900 -1.002 0.000 1.209 543 G CA 0.044 44.691 45.100 -0.755 0.000 0.959 543 G HN 0.831 nan 8.290 nan 0.000 0.563 544 N N 1.295 119.297 118.700 -1.163 0.000 2.466 544 N HA 0.492 5.248 4.740 0.027 0.000 0.263 544 N C 0.063 175.267 175.510 -0.511 0.000 1.178 544 N CA 1.094 53.608 53.050 -0.892 0.000 0.983 544 N CB 0.425 38.413 38.487 -0.831 0.000 1.331 544 N HN 0.837 nan 8.380 nan 0.000 0.500 545 S N 2.033 117.510 115.700 -0.371 0.000 2.998 545 S HA 0.588 5.074 4.470 0.027 0.000 0.321 545 S C -0.173 174.334 174.600 -0.156 0.000 1.171 545 S CA -0.346 57.710 58.200 -0.240 0.000 0.882 545 S CB 0.065 63.135 63.200 -0.217 0.000 1.301 545 S HN 0.325 nan 8.310 nan 0.000 0.629 546 L N 0.117 121.293 121.223 -0.078 0.000 4.613 546 L HA -0.055 4.301 4.340 0.027 0.000 0.409 546 L C 0.529 177.435 176.870 0.060 0.000 1.100 546 L CA 0.909 55.741 54.840 -0.013 0.000 1.029 546 L CB -1.817 40.150 42.059 -0.155 0.000 2.137 546 L HN 0.732 nan 8.230 nan 0.000 0.713 547 G N -0.845 107.957 108.800 0.004 0.000 2.365 547 G HA2 0.477 4.453 3.960 0.027 0.000 0.249 547 G HA3 0.477 4.453 3.960 0.027 0.000 0.249 547 G C 1.230 176.180 174.900 0.084 0.000 1.288 547 G CA 0.175 45.261 45.100 -0.024 0.000 0.887 547 G HN 1.386 nan 8.290 nan 0.000 0.524 548 G N 1.656 110.509 108.800 0.089 0.000 2.176 548 G HA2 -0.321 3.655 3.960 0.027 0.000 0.253 548 G HA3 -0.321 3.655 3.960 0.027 0.000 0.253 548 G C 1.027 176.120 174.900 0.323 0.000 0.979 548 G CA 0.764 45.975 45.100 0.185 0.000 0.641 548 G HN 0.762 nan 8.290 nan 0.000 0.530 549 F N 1.911 121.990 119.950 0.215 0.000 2.095 549 F HA 0.085 4.628 4.527 0.028 0.000 0.298 549 F C 2.737 178.749 175.800 0.354 0.000 1.104 549 F CA 2.693 60.888 58.000 0.326 0.000 1.232 549 F CB -0.523 38.606 39.000 0.214 0.000 0.987 549 F HN 0.356 nan 8.300 nan 0.000 0.475 550 A N -0.348 122.651 122.820 0.298 0.000 2.024 550 A HA -0.262 4.074 4.320 0.027 0.000 0.220 550 A C 2.284 179.888 177.584 0.033 0.000 1.164 550 A CA 1.834 53.971 52.037 0.167 0.000 0.643 550 A CB -0.861 18.242 19.000 0.172 0.000 0.806 550 A HN 0.478 nan 8.150 nan 0.000 0.451 551 K N -1.541 118.862 120.400 0.005 0.000 2.063 551 K HA -0.203 4.133 4.320 0.027 0.000 0.208 551 K C 1.744 178.100 176.600 -0.405 0.000 1.048 551 K CA 1.855 58.053 56.287 -0.149 0.000 0.928 551 K CB -0.346 32.078 32.500 -0.127 0.000 0.713 551 K HN 0.569 nan 8.250 nan 0.000 0.442 552 Y N -0.852 119.171 120.300 -0.462 0.000 2.145 552 Y HA -0.235 4.330 4.550 0.025 0.000 0.286 552 Y C 2.043 176.972 175.900 -1.620 0.000 1.145 552 Y CA 1.602 59.065 58.100 -1.061 0.000 1.148 552 Y CB -0.330 37.483 38.460 -1.080 0.000 0.981 552 Y HN 0.187 nan 8.280 nan 0.000 0.507 553 W N 0.023 120.888 121.300 -0.725 0.000 2.358 553 W HA -0.213 4.464 4.660 0.029 0.000 0.303 553 W C 2.631 178.971 176.519 -0.298 0.000 1.208 553 W CA 1.547 58.599 57.345 -0.489 0.000 1.274 553 W CB -0.653 28.627 29.460 -0.299 0.000 1.138 553 W HN 0.044 nan 8.180 nan 0.000 0.515 554 Q N 0.772 120.479 119.800 -0.154 0.000 2.096 554 Q HA -0.190 4.166 4.340 0.027 0.000 0.204 554 Q C 2.161 178.097 176.000 -0.107 0.000 0.982 554 Q CA 2.162 57.915 55.803 -0.084 0.000 0.850 554 Q CB -0.601 28.098 28.738 -0.066 0.000 0.901 554 Q HN 0.286 nan 8.270 nan 0.000 0.422 555 A N -0.175 122.488 122.820 -0.262 0.000 1.897 555 A HA -0.079 4.257 4.320 0.027 0.000 0.215 555 A C 2.050 179.598 177.584 -0.061 0.000 1.181 555 A CA 0.959 52.873 52.037 -0.206 0.000 0.620 555 A CB -1.027 17.728 19.000 -0.409 0.000 0.821 555 A HN 0.462 nan 8.150 nan 0.000 0.443 556 F N -0.212 119.552 119.950 -0.309 0.000 2.126 556 F HA -0.226 4.317 4.527 0.027 0.000 0.299 556 F C 2.755 178.451 175.800 -0.173 0.000 1.096 556 F CA 1.126 58.916 58.000 -0.351 0.000 1.255 556 F CB -0.198 38.370 39.000 -0.721 0.000 0.997 556 F HN 0.155 nan 8.300 nan 0.000 0.479 557 R N 0.095 120.644 120.500 0.082 0.000 2.115 557 R HA -0.164 4.192 4.340 0.027 0.000 0.226 557 R C 2.114 178.451 176.300 0.061 0.000 1.100 557 R CA 1.163 57.300 56.100 0.063 0.000 0.980 557 R CB -0.406 29.925 30.300 0.052 0.000 0.875 557 R HN 0.390 nan 8.270 nan 0.000 0.445 558 Q N -0.292 119.571 119.800 0.105 0.000 2.187 558 Q HA -0.060 4.296 4.340 0.027 0.000 0.199 558 Q C -0.468 175.579 176.000 0.079 0.000 0.957 558 Q CA 0.916 56.780 55.803 0.103 0.000 0.857 558 Q CB 0.374 29.218 28.738 0.176 0.000 0.929 558 Q HN 0.179 nan 8.270 nan 0.000 0.453 559 Y N 0.089 120.372 120.300 -0.029 0.000 2.342 559 Y HA 0.275 4.840 4.550 0.024 0.000 0.338 559 Y C -1.792 174.084 175.900 -0.041 0.000 0.965 559 Y CA -2.874 55.209 58.100 -0.028 0.000 1.159 559 Y CB 1.434 39.882 38.460 -0.020 0.000 1.157 559 Y HN 0.106 nan 8.280 nan 0.000 0.486 560 P HA -0.184 nan 4.420 nan 0.000 0.215 560 P C 1.097 178.400 177.300 0.006 0.000 1.157 560 P CA 1.896 65.000 63.100 0.007 0.000 0.874 560 P CB 0.308 31.996 31.700 -0.019 0.000 0.790 561 R N -1.257 119.267 120.500 0.039 0.000 2.307 561 R HA 0.092 4.448 4.340 0.027 0.000 0.199 561 R C 0.485 176.766 176.300 -0.031 0.000 1.000 561 R CA 0.145 56.249 56.100 0.007 0.000 1.023 561 R CB -0.482 29.832 30.300 0.023 0.000 0.908 561 R HN 0.240 nan 8.270 nan 0.000 0.473 562 L N 1.805 123.025 121.223 -0.005 0.000 2.282 562 L HA 0.139 4.495 4.340 0.027 0.000 0.287 562 L C 0.554 177.279 176.870 -0.242 0.000 1.075 562 L CA 0.125 54.909 54.840 -0.093 0.000 0.839 562 L CB 1.158 43.232 42.059 0.026 0.000 1.219 562 L HN 0.082 nan 8.230 nan 0.000 0.434 563 Q N 2.764 122.351 119.800 -0.356 0.000 2.201 563 Q HA 0.297 4.653 4.340 0.027 0.000 0.217 563 Q C 0.810 176.406 176.000 -0.674 0.000 0.860 563 Q CA 0.095 55.654 55.803 -0.407 0.000 0.984 563 Q CB 0.981 29.569 28.738 -0.251 0.000 1.095 563 Q HN 0.952 nan 8.270 nan 0.000 0.477 564 G N -0.422 107.604 108.800 -1.290 0.000 2.451 564 G HA2 0.077 4.053 3.960 0.027 0.000 0.208 564 G HA3 0.077 4.053 3.960 0.027 0.000 0.208 564 G C -0.276 173.786 174.900 -1.396 0.000 1.248 564 G CA -0.758 43.206 45.100 -1.894 0.000 0.989 564 G HN 0.557 nan 8.290 nan 0.000 0.559 565 G N -2.277 105.971 108.800 -0.919 0.000 2.342 565 G HA2 0.649 4.625 3.960 0.027 0.000 0.297 565 G HA3 0.649 4.625 3.960 0.027 0.000 0.297 565 G C -1.865 172.920 174.900 -0.191 0.000 1.313 565 G CA -0.307 44.465 45.100 -0.546 0.000 0.830 565 G HN 1.133 nan 8.290 nan 0.000 0.506 566 F N 0.817 121.006 119.950 0.398 0.000 2.382 566 F HA 0.495 5.037 4.527 0.025 0.000 0.361 566 F C 0.772 176.871 175.800 0.499 0.000 1.109 566 F CA -0.721 57.541 58.000 0.438 0.000 1.031 566 F CB 2.011 41.164 39.000 0.254 0.000 1.234 566 F HN 0.247 nan 8.300 nan 0.000 0.445 567 V N 3.417 123.650 119.914 0.532 0.000 2.901 567 V HA -0.164 3.972 4.120 0.027 0.000 0.307 567 V C -0.192 176.046 176.094 0.241 0.000 1.084 567 V CA -0.114 62.281 62.300 0.158 0.000 1.184 567 V CB 0.656 32.588 31.823 0.181 0.000 0.941 567 V HN 0.751 nan 8.190 nan 0.000 0.493 568 W N 6.451 127.831 121.300 0.133 0.000 2.294 568 W HA 0.465 5.141 4.660 0.026 0.000 0.314 568 W C -0.802 175.735 176.519 0.031 0.000 1.044 568 W CA -0.675 56.784 57.345 0.190 0.000 1.284 568 W CB 1.386 31.113 29.460 0.444 0.000 1.231 568 W HN 0.912 nan 8.180 nan 0.000 0.419 569 D N 3.077 123.177 120.400 -0.500 0.000 2.895 569 D HA 0.099 4.755 4.640 0.027 0.000 0.320 569 D C 0.657 176.761 176.300 -0.327 0.000 1.249 569 D CA -0.528 53.053 54.000 -0.698 0.000 0.997 569 D CB 0.171 39.980 40.800 -1.652 0.000 1.430 569 D HN 0.440 nan 8.370 nan 0.000 0.558 570 W N 0.429 121.453 121.300 -0.461 0.000 2.413 570 W HA 0.159 4.835 4.660 0.027 0.000 0.315 570 W C -0.145 176.215 176.519 -0.265 0.000 1.186 570 W CA 1.070 58.207 57.345 -0.346 0.000 1.326 570 W CB 0.368 29.636 29.460 -0.321 0.000 1.153 570 W HN 0.146 nan 8.180 nan 0.000 0.489 571 V N 2.677 122.398 119.914 -0.322 0.000 2.709 571 V HA 0.248 4.384 4.120 0.027 0.000 0.308 571 V C -0.925 175.014 176.094 -0.258 0.000 1.062 571 V CA -0.789 61.272 62.300 -0.399 0.000 0.901 571 V CB 1.525 33.205 31.823 -0.239 0.000 1.003 571 V HN -0.106 nan 8.190 nan 0.000 0.425 572 D N 4.036 124.295 120.400 -0.235 0.000 2.533 572 D HA 0.085 4.741 4.640 0.027 0.000 0.236 572 D C 0.370 176.504 176.300 -0.275 0.000 1.137 572 D CA 0.701 54.596 54.000 -0.174 0.000 0.867 572 D CB 0.864 41.635 40.800 -0.049 0.000 1.170 572 D HN 0.626 nan 8.370 nan 0.000 0.474 573 Q N 1.157 120.729 119.800 -0.380 0.000 3.170 573 Q HA 0.117 4.473 4.340 0.027 0.000 0.346 573 Q C -0.013 175.895 176.000 -0.153 0.000 1.333 573 Q CA -0.324 55.021 55.803 -0.763 0.000 0.958 573 Q CB 0.005 28.447 28.738 -0.493 0.000 1.600 573 Q HN 0.366 nan 8.270 nan 0.000 0.482 574 S N -0.356 115.365 115.700 0.035 0.000 2.632 574 S HA 0.586 5.072 4.470 0.027 0.000 0.271 574 S C -0.078 174.680 174.600 0.263 0.000 1.260 574 S CA -0.765 57.587 58.200 0.255 0.000 1.010 574 S CB 1.410 64.755 63.200 0.243 0.000 0.965 574 S HN 0.335 nan 8.310 nan 0.000 0.534 575 L N 1.510 122.818 121.223 0.141 0.000 2.342 575 L HA 0.507 4.862 4.340 0.027 0.000 0.271 575 L C -0.732 176.044 176.870 -0.156 0.000 1.008 575 L CA -1.312 53.491 54.840 -0.063 0.000 0.818 575 L CB 1.470 43.367 42.059 -0.271 0.000 1.296 575 L HN 0.544 nan 8.230 nan 0.000 0.427 576 I N 2.371 122.786 120.570 -0.258 0.000 2.474 576 I HA 0.275 4.461 4.170 0.027 0.000 0.287 576 I C 0.191 175.884 176.117 -0.707 0.000 1.048 576 I CA -0.171 60.834 61.300 -0.491 0.000 1.383 576 I CB 0.641 38.366 38.000 -0.458 0.000 1.412 576 I HN 0.510 nan 8.210 nan 0.000 0.531 577 K N 5.071 124.776 120.400 -1.157 0.000 2.444 577 K HA 0.580 4.916 4.320 0.027 0.000 0.252 577 K C -1.609 174.153 176.600 -1.397 0.000 0.993 577 K CA -0.754 54.781 56.287 -1.253 0.000 0.847 577 K CB 2.334 33.850 32.500 -1.641 0.000 1.340 577 K HN 0.240 nan 8.250 nan 0.000 0.446 578 Y N 0.919 120.979 120.300 -0.400 0.000 2.376 578 Y HA 0.141 4.707 4.550 0.027 0.000 0.340 578 Y C 0.127 176.118 175.900 0.152 0.000 0.965 578 Y CA -0.989 57.048 58.100 -0.106 0.000 1.078 578 Y CB 1.347 39.762 38.460 -0.074 0.000 1.193 578 Y HN 0.680 nan 8.280 nan 0.000 0.452 579 D N 0.523 121.172 120.400 0.415 0.000 2.440 579 D HA -0.015 4.641 4.640 0.027 0.000 0.269 579 D C 1.082 177.495 176.300 0.189 0.000 1.249 579 D CA -0.356 53.838 54.000 0.324 0.000 1.055 579 D CB 0.441 41.361 40.800 0.199 0.000 1.104 579 D HN 0.664 nan 8.370 nan 0.000 0.561 580 E N -0.185 120.085 120.200 0.117 0.000 2.160 580 E HA -0.260 4.106 4.350 0.027 0.000 0.195 580 E C 0.594 177.233 176.600 0.065 0.000 0.991 580 E CA 1.004 57.447 56.400 0.072 0.000 0.810 580 E CB -0.587 29.137 29.700 0.040 0.000 0.742 580 E HN 0.338 nan 8.360 nan 0.000 0.466 581 N N 0.703 119.450 118.700 0.078 0.000 2.449 581 N HA 0.052 4.808 4.740 0.027 0.000 0.191 581 N C 0.910 176.470 175.510 0.083 0.000 1.161 581 N CA 0.949 54.039 53.050 0.068 0.000 0.863 581 N CB 0.539 39.066 38.487 0.066 0.000 0.980 581 N HN 0.466 nan 8.380 nan 0.000 0.458 582 G N 0.864 109.733 108.800 0.115 0.000 2.168 582 G HA2 -0.338 3.638 3.960 0.027 0.000 0.257 582 G HA3 -0.338 3.638 3.960 0.027 0.000 0.257 582 G C 0.141 175.176 174.900 0.225 0.000 0.997 582 G CA 0.222 45.404 45.100 0.137 0.000 0.708 582 G HN 0.445 nan 8.290 nan 0.000 0.520 583 N N 1.336 120.161 118.700 0.208 0.000 2.488 583 N HA 0.509 5.265 4.740 0.027 0.000 0.274 583 N C -2.016 173.622 175.510 0.213 0.000 1.111 583 N CA -1.572 51.593 53.050 0.192 0.000 0.974 583 N CB 1.264 39.841 38.487 0.150 0.000 1.089 583 N HN 0.113 nan 8.380 nan 0.000 0.465 584 P HA 0.259 nan 4.420 nan 0.000 0.277 584 P C -0.775 176.480 177.300 -0.074 0.000 1.240 584 P CA -0.283 62.702 63.100 -0.192 0.000 0.798 584 P CB 0.363 31.938 31.700 -0.208 0.000 0.979 585 W N -1.021 120.052 121.300 -0.379 0.000 3.118 585 W HA 0.475 5.151 4.660 0.026 0.000 0.328 585 W C -1.463 174.878 176.519 -0.297 0.000 1.239 585 W CA -1.062 56.059 57.345 -0.375 0.000 1.176 585 W CB 0.332 29.314 29.460 -0.796 0.000 1.433 585 W HN 0.086 nan 8.180 nan 0.000 0.562 586 S N 1.476 117.260 115.700 0.139 0.000 2.465 586 S HA 0.597 5.083 4.470 0.027 0.000 0.279 586 S C 0.095 174.895 174.600 0.333 0.000 1.201 586 S CA -0.297 57.991 58.200 0.146 0.000 1.053 586 S CB 0.863 64.191 63.200 0.213 0.000 0.953 586 S HN 0.608 nan 8.310 nan 0.000 0.488 587 A N 3.082 125.966 122.820 0.106 0.000 2.337 587 A HA 0.887 5.223 4.320 0.027 0.000 0.331 587 A C -0.721 177.129 177.584 0.443 0.000 1.137 587 A CA -0.740 51.399 52.037 0.170 0.000 0.807 587 A CB 0.682 19.478 19.000 -0.339 0.000 1.250 587 A HN 0.838 nan 8.150 nan 0.000 0.468 588 Y N -0.558 120.076 120.300 0.556 0.000 2.944 588 Y HA 0.779 5.345 4.550 0.027 0.000 0.312 588 Y C 0.679 176.926 175.900 0.578 0.000 1.417 588 Y CA -1.377 57.032 58.100 0.515 0.000 1.105 588 Y CB -0.092 38.494 38.460 0.211 0.000 1.364 588 Y HN 0.917 nan 8.280 nan 0.000 0.540 589 G N -0.175 109.002 108.800 0.628 0.000 2.287 589 G HA2 0.361 4.337 3.960 0.027 0.000 0.235 589 G HA3 0.361 4.337 3.960 0.027 0.000 0.235 589 G C 0.963 176.155 174.900 0.487 0.000 1.258 589 G CA 0.488 45.877 45.100 0.481 0.000 0.884 589 G HN 1.980 nan 8.290 nan 0.000 0.518 590 G N 2.085 111.137 108.800 0.420 0.000 2.268 590 G HA2 -0.285 3.691 3.960 0.027 0.000 0.240 590 G HA3 -0.285 3.691 3.960 0.027 0.000 0.240 590 G C 0.933 176.022 174.900 0.315 0.000 1.010 590 G CA 0.706 46.004 45.100 0.330 0.000 0.618 590 G HN 0.642 nan 8.290 nan 0.000 0.516 591 D N -0.110 120.498 120.400 0.348 0.000 2.371 591 D HA 0.145 4.801 4.640 0.027 0.000 0.221 591 D C 1.236 177.448 176.300 -0.148 0.000 0.986 591 D CA 0.496 54.557 54.000 0.100 0.000 0.899 591 D CB -0.183 40.628 40.800 0.019 0.000 0.902 591 D HN 0.470 nan 8.370 nan 0.000 0.530 592 F N -0.683 119.393 119.950 0.211 0.000 2.668 592 F HA 0.312 4.855 4.527 0.027 0.000 0.301 592 F C 1.786 177.673 175.800 0.144 0.000 1.106 592 F CA -0.243 57.842 58.000 0.142 0.000 1.289 592 F CB 0.693 39.776 39.000 0.138 0.000 1.006 592 F HN -0.055 nan 8.300 nan 0.000 0.535 593 G N 0.272 109.224 108.800 0.254 0.000 2.184 593 G HA2 -0.295 3.681 3.960 0.027 0.000 0.264 593 G HA3 -0.295 3.681 3.960 0.027 0.000 0.264 593 G C -0.127 174.907 174.900 0.223 0.000 0.975 593 G CA 0.239 45.458 45.100 0.198 0.000 0.642 593 G HN 0.418 nan 8.290 nan 0.000 0.536 594 D N 0.497 121.078 120.400 0.301 0.000 2.417 594 D HA 0.479 5.135 4.640 0.027 0.000 0.250 594 D C 0.139 176.553 176.300 0.191 0.000 1.166 594 D CA 1.002 55.160 54.000 0.265 0.000 0.881 594 D CB 1.537 42.543 40.800 0.343 0.000 1.164 594 D HN 0.353 nan 8.370 nan 0.000 0.467 595 T N 1.166 115.805 114.554 0.140 0.000 3.097 595 T HA 0.421 4.787 4.350 0.027 0.000 0.332 595 T C -2.774 171.963 174.700 0.060 0.000 1.269 595 T CA -1.191 60.965 62.100 0.093 0.000 1.076 595 T CB 1.165 70.090 68.868 0.094 0.000 1.209 595 T HN 0.220 nan 8.240 nan 0.000 0.474 596 P HA 0.482 nan 4.420 nan 0.000 0.272 596 P C -0.958 176.333 177.300 -0.014 0.000 1.240 596 P CA -0.328 62.774 63.100 0.002 0.000 0.791 596 P CB 0.363 32.041 31.700 -0.036 0.000 0.978 597 N N -1.707 116.983 118.700 -0.017 0.000 2.647 597 N HA 0.273 5.029 4.740 0.027 0.000 0.266 597 N C -0.959 174.496 175.510 -0.091 0.000 1.373 597 N CA -0.763 52.253 53.050 -0.056 0.000 0.807 597 N CB 0.788 39.325 38.487 0.083 0.000 1.513 597 N HN 0.078 nan 8.380 nan 0.000 0.505 598 D N -0.233 120.043 120.400 -0.207 0.000 2.525 598 D HA 0.109 4.765 4.640 0.027 0.000 0.229 598 D C 0.478 176.970 176.300 0.320 0.000 1.202 598 D CA -0.118 53.838 54.000 -0.073 0.000 0.828 598 D CB 0.056 40.668 40.800 -0.314 0.000 1.008 598 D HN 0.694 nan 8.370 nan 0.000 0.493 599 R N 0.910 121.605 120.500 0.325 0.000 3.682 599 R HA -0.320 4.036 4.340 0.027 0.000 0.519 599 R C 1.151 177.546 176.300 0.158 0.000 0.241 599 R CA 1.483 57.794 56.100 0.352 0.000 1.619 599 R CB -1.644 28.768 30.300 0.185 0.000 0.923 599 R HN 0.146 nan 8.270 nan 0.000 0.598 600 Q N 1.557 121.126 119.800 -0.385 0.000 2.515 600 Q HA -0.017 4.339 4.340 0.027 0.000 0.212 600 Q C 1.604 177.352 176.000 -0.421 0.000 0.970 600 Q CA 1.388 56.764 55.803 -0.712 0.000 0.941 600 Q CB -0.036 28.029 28.738 -1.121 0.000 0.998 600 Q HN 0.612 nan 8.270 nan 0.000 0.518 601 F N 1.431 121.325 119.950 -0.094 0.000 2.546 601 F HA -0.100 4.443 4.527 0.026 0.000 0.298 601 F C 2.124 177.871 175.800 -0.087 0.000 1.120 601 F CA 0.949 58.960 58.000 0.019 0.000 1.456 601 F CB -0.080 38.999 39.000 0.132 0.000 1.088 601 F HN 0.395 nan 8.300 nan 0.000 0.572 602 C N -1.306 117.720 119.300 -0.457 0.000 2.576 602 C HA 0.259 4.735 4.460 0.027 0.000 0.267 602 C C 0.905 175.706 174.990 -0.315 0.000 1.364 602 C CA -0.513 58.060 59.018 -0.741 0.000 1.723 602 C CB -1.729 25.080 27.740 -1.550 0.000 1.778 602 C HN 0.184 nan 8.230 nan 0.000 0.572 603 M N 2.514 121.982 119.600 -0.220 0.000 2.023 603 M HA 0.286 4.782 4.480 0.027 0.000 0.325 603 M C -0.525 175.676 176.300 -0.165 0.000 0.963 603 M CA 0.326 55.530 55.300 -0.161 0.000 0.928 603 M CB 0.282 32.813 32.600 -0.116 0.000 1.429 603 M HN 0.346 nan 8.290 nan 0.000 0.404 604 N N 0.979 119.591 118.700 -0.146 0.000 2.307 604 N HA 0.209 4.965 4.740 0.027 0.000 0.248 604 N C 0.231 175.589 175.510 -0.254 0.000 1.322 604 N CA -0.532 52.395 53.050 -0.205 0.000 0.861 604 N CB 1.291 39.742 38.487 -0.059 0.000 1.303 604 N HN 0.657 nan 8.380 nan 0.000 0.498 605 G N -0.080 108.582 108.800 -0.230 0.000 2.502 605 G HA2 0.375 4.351 3.960 0.027 0.000 0.305 605 G HA3 0.375 4.351 3.960 0.027 0.000 0.305 605 G C 0.728 175.495 174.900 -0.221 0.000 1.190 605 G CA -0.574 44.355 45.100 -0.285 0.000 0.933 605 G HN 0.095 nan 8.290 nan 0.000 0.503 606 L N -0.346 120.670 121.223 -0.345 0.000 2.291 606 L HA 0.099 4.455 4.340 0.027 0.000 0.214 606 L C 0.928 177.513 176.870 -0.475 0.000 1.120 606 L CA 0.424 55.075 54.840 -0.316 0.000 0.799 606 L CB -0.413 41.452 42.059 -0.324 0.000 0.925 606 L HN 0.371 nan 8.230 nan 0.000 0.446 607 V N -4.868 114.590 119.914 -0.759 0.000 2.914 607 V HA 0.466 4.602 4.120 0.027 0.000 0.314 607 V C -0.188 175.424 176.094 -0.802 0.000 1.084 607 V CA -1.279 60.521 62.300 -0.834 0.000 0.963 607 V CB 1.563 32.899 31.823 -0.813 0.000 1.025 607 V HN -0.136 nan 8.190 nan 0.000 0.432 608 F N 1.768 121.273 119.950 -0.741 0.000 2.485 608 F HA 0.523 5.066 4.527 0.027 0.000 0.327 608 F C 1.993 177.625 175.800 -0.280 0.000 1.203 608 F CA 0.626 58.350 58.000 -0.459 0.000 1.295 608 F CB 0.798 39.581 39.000 -0.363 0.000 1.191 608 F HN 0.788 nan 8.300 nan 0.000 0.588 609 A N 0.806 123.662 122.820 0.060 0.000 1.986 609 A HA -0.246 4.090 4.320 0.027 0.000 0.220 609 A C 1.635 179.182 177.584 -0.061 0.000 1.171 609 A CA 2.001 54.052 52.037 0.023 0.000 0.640 609 A CB -0.976 18.079 19.000 0.092 0.000 0.811 609 A HN 0.801 nan 8.150 nan 0.000 0.451 610 D N -2.985 117.381 120.400 -0.055 0.000 2.319 610 D HA 0.142 4.798 4.640 0.027 0.000 0.230 610 D C 0.645 176.908 176.300 -0.062 0.000 1.094 610 D CA 0.018 53.964 54.000 -0.091 0.000 0.856 610 D CB -0.094 40.651 40.800 -0.091 0.000 0.915 610 D HN 0.218 nan 8.370 nan 0.000 0.517 611 R N -1.879 118.580 120.500 -0.069 0.000 3.840 611 R HA -0.124 4.232 4.340 0.027 0.000 0.464 611 R C -0.228 176.034 176.300 -0.064 0.000 0.986 611 R CA 1.105 57.162 56.100 -0.072 0.000 1.305 611 R CB -3.223 27.090 30.300 0.023 0.000 1.950 611 R HN 0.260 nan 8.270 nan 0.000 0.526 612 T N 2.629 117.163 114.554 -0.032 0.000 2.901 612 T HA 0.343 4.709 4.350 0.027 0.000 0.301 612 T C -2.301 172.395 174.700 -0.006 0.000 1.012 612 T CA -0.770 61.329 62.100 -0.002 0.000 1.135 612 T CB 0.989 69.847 68.868 -0.016 0.000 0.936 612 T HN -0.092 nan 8.240 nan 0.000 0.539 613 P HA 0.212 nan 4.420 nan 0.000 0.271 613 P C -0.356 176.859 177.300 -0.141 0.000 1.218 613 P CA -0.203 62.819 63.100 -0.130 0.000 0.780 613 P CB 0.386 32.057 31.700 -0.049 0.000 0.901 614 H N 2.677 121.577 119.070 -0.283 0.000 2.508 614 H HA 0.155 4.727 4.556 0.026 0.000 0.358 614 H C -1.221 174.002 175.328 -0.174 0.000 1.212 614 H CA -1.580 54.262 56.048 -0.343 0.000 1.356 614 H CB 0.145 29.654 29.762 -0.422 0.000 1.525 614 H HN 0.356 nan 8.280 nan 0.000 0.578 615 P HA -0.213 nan 4.420 nan 0.000 0.218 615 P C 1.050 178.345 177.300 -0.009 0.000 1.148 615 P CA 1.751 64.845 63.100 -0.009 0.000 0.822 615 P CB 0.019 31.719 31.700 -0.001 0.000 0.784 616 A N -0.652 122.154 122.820 -0.024 0.000 2.024 616 A HA -0.202 4.134 4.320 0.027 0.000 0.220 616 A C 2.081 179.611 177.584 -0.090 0.000 1.164 616 A CA 1.319 53.306 52.037 -0.084 0.000 0.643 616 A CB -1.622 17.294 19.000 -0.140 0.000 0.806 616 A HN 0.161 nan 8.150 nan 0.000 0.451 617 L N -0.426 120.769 121.223 -0.047 0.000 2.043 617 L HA -0.169 4.187 4.340 0.027 0.000 0.212 617 L C 2.582 179.488 176.870 0.059 0.000 1.075 617 L CA 2.822 57.667 54.840 0.008 0.000 0.752 617 L CB -1.011 41.050 42.059 0.004 0.000 0.891 617 L HN 0.407 nan 8.230 nan 0.000 0.432 618 T N -1.883 112.713 114.554 0.070 0.000 2.915 618 T HA -0.198 4.168 4.350 0.027 0.000 0.269 618 T C 1.805 176.609 174.700 0.172 0.000 1.071 618 T CA 1.404 63.601 62.100 0.161 0.000 1.132 618 T CB -0.163 68.782 68.868 0.128 0.000 0.878 618 T HN 0.498 nan 8.240 nan 0.000 0.479 619 E N 0.629 120.868 120.200 0.065 0.000 2.106 619 E HA 0.062 4.428 4.350 0.027 0.000 0.192 619 E C 2.171 178.763 176.600 -0.012 0.000 0.984 619 E CA 1.307 57.745 56.400 0.065 0.000 0.806 619 E CB -0.570 29.134 29.700 0.007 0.000 0.750 619 E HN 0.559 nan 8.360 nan 0.000 0.458 620 A N 0.932 123.636 122.820 -0.193 0.000 1.873 620 A HA -0.191 4.145 4.320 0.027 0.000 0.215 620 A C 2.148 179.604 177.584 -0.213 0.000 1.186 620 A CA 1.783 53.646 52.037 -0.290 0.000 0.616 620 A CB -0.591 18.235 19.000 -0.290 0.000 0.823 620 A HN 0.250 nan 8.150 nan 0.000 0.442 621 K N -1.141 119.210 120.400 -0.082 0.000 2.063 621 K HA -0.296 4.040 4.320 0.027 0.000 0.208 621 K C 2.054 178.550 176.600 -0.173 0.000 1.048 621 K CA 2.065 58.318 56.287 -0.058 0.000 0.928 621 K CB -0.343 32.283 32.500 0.209 0.000 0.713 621 K HN 0.647 nan 8.250 nan 0.000 0.442 622 H N 0.365 119.261 119.070 -0.290 0.000 2.357 622 H HA -0.019 4.553 4.556 0.027 0.000 0.301 622 H C 1.959 177.019 175.328 -0.446 0.000 1.082 622 H CA 1.769 57.452 56.048 -0.609 0.000 1.342 622 H CB 0.091 29.554 29.762 -0.499 0.000 1.389 622 H HN 0.247 nan 8.280 nan 0.000 0.511 623 Q N 0.275 119.844 119.800 -0.386 0.000 2.167 623 Q HA -0.105 4.251 4.340 0.027 0.000 0.202 623 Q C 1.706 177.192 176.000 -0.857 0.000 0.970 623 Q CA 1.235 56.732 55.803 -0.511 0.000 0.855 623 Q CB -0.031 28.590 28.738 -0.195 0.000 0.911 623 Q HN 0.711 nan 8.270 nan 0.000 0.438 624 Q N 0.480 119.721 119.800 -0.932 0.000 2.373 624 Q HA 0.043 4.399 4.340 0.027 0.000 0.206 624 Q C -0.043 175.402 176.000 -0.925 0.000 0.942 624 Q CA -0.187 54.910 55.803 -1.175 0.000 0.953 624 Q CB 0.187 28.271 28.738 -1.090 0.000 1.022 624 Q HN 0.390 nan 8.270 nan 0.000 0.502 625 Q N -0.447 118.962 119.800 -0.651 0.000 2.414 625 Q HA -0.069 4.287 4.340 0.027 0.000 0.288 625 Q C -0.157 175.494 176.000 -0.583 0.000 1.086 625 Q CA 0.504 56.054 55.803 -0.421 0.000 0.943 625 Q CB 0.391 28.987 28.738 -0.236 0.000 1.282 625 Q HN 0.304 nan 8.270 nan 0.000 0.438 626 F N 0.182 119.897 119.950 -0.392 0.000 2.664 626 F HA 0.262 4.804 4.527 0.026 0.000 0.303 626 F C -0.333 174.906 175.800 -0.934 0.000 1.092 626 F CA -0.070 57.470 58.000 -0.766 0.000 1.305 626 F CB 0.601 38.839 39.000 -1.270 0.000 1.054 626 F HN 0.297 nan 8.300 nan 0.000 0.565 627 F N 0.365 120.252 119.950 -0.105 0.000 2.529 627 F HA 0.469 5.013 4.527 0.028 0.000 0.320 627 F C -0.208 175.286 175.800 -0.510 0.000 1.118 627 F CA -1.094 56.748 58.000 -0.265 0.000 0.915 627 F CB 1.395 40.260 39.000 -0.225 0.000 1.161 627 F HN -0.303 nan 8.300 nan 0.000 0.445 628 Q N 3.025 122.587 119.800 -0.396 0.000 2.301 628 Q HA 0.608 4.964 4.340 0.027 0.000 0.267 628 Q C -1.380 174.295 176.000 -0.541 0.000 1.035 628 Q CA -0.672 54.910 55.803 -0.368 0.000 0.856 628 Q CB 2.949 31.603 28.738 -0.140 0.000 1.337 628 Q HN 0.573 nan 8.270 nan 0.000 0.450 629 F N 0.053 120.132 119.950 0.216 0.000 2.576 629 F HA 0.593 5.137 4.527 0.027 0.000 0.313 629 F C 0.265 176.290 175.800 0.374 0.000 1.078 629 F CA -0.872 57.327 58.000 0.330 0.000 0.921 629 F CB 2.190 41.516 39.000 0.543 0.000 1.232 629 F HN 0.140 nan 8.300 nan 0.000 0.459 630 R N 1.550 122.346 120.500 0.494 0.000 2.725 630 R HA 0.692 5.047 4.340 0.027 0.000 0.277 630 R C -2.049 174.322 176.300 0.119 0.000 0.987 630 R CA -1.254 55.057 56.100 0.350 0.000 0.901 630 R CB 3.022 33.433 30.300 0.186 0.000 1.207 630 R HN 0.534 nan 8.270 nan 0.000 0.463 631 L N 0.779 121.956 121.223 -0.076 0.000 2.333 631 L HA 0.487 4.843 4.340 0.027 0.000 0.280 631 L C -0.942 175.795 176.870 -0.222 0.000 1.004 631 L CA 0.062 54.640 54.840 -0.438 0.000 0.820 631 L CB 2.049 43.446 42.059 -1.104 0.000 1.247 631 L HN 0.546 nan 8.230 nan 0.000 0.416 632 S N 3.819 119.405 115.700 -0.190 0.000 2.745 632 S HA 0.652 5.138 4.470 0.027 0.000 0.283 632 S C 0.516 175.036 174.600 -0.133 0.000 1.170 632 S CA 0.193 58.320 58.200 -0.121 0.000 1.119 632 S CB 0.215 63.374 63.200 -0.068 0.000 1.035 632 S HN 1.425 nan 8.310 nan 0.000 0.483 633 G N 5.026 113.747 108.800 -0.132 0.000 2.686 633 G HA2 -0.366 3.610 3.960 0.027 0.000 0.329 633 G HA3 -0.366 3.610 3.960 0.027 0.000 0.329 633 G C 0.270 175.072 174.900 -0.164 0.000 1.187 633 G CA 1.130 46.155 45.100 -0.124 0.000 0.965 633 G HN 0.759 nan 8.290 nan 0.000 0.549 634 Q N 0.935 120.644 119.800 -0.151 0.000 2.198 634 Q HA 0.431 4.787 4.340 0.027 0.000 0.209 634 Q C 0.305 176.183 176.000 -0.205 0.000 0.848 634 Q CA 0.730 56.419 55.803 -0.190 0.000 0.974 634 Q CB 0.737 29.360 28.738 -0.192 0.000 1.115 634 Q HN 0.487 nan 8.270 nan 0.000 0.494 635 T N 0.700 115.147 114.554 -0.178 0.000 2.794 635 T HA 0.599 4.965 4.350 0.027 0.000 0.280 635 T C -0.242 174.352 174.700 -0.176 0.000 0.987 635 T CA -0.469 61.540 62.100 -0.151 0.000 0.993 635 T CB 1.152 69.964 68.868 -0.094 0.000 0.939 635 T HN 0.093 nan 8.240 nan 0.000 0.449 636 I N 2.557 123.041 120.570 -0.144 0.000 2.354 636 I HA 0.306 4.491 4.170 0.027 0.000 0.292 636 I C 0.406 176.541 176.117 0.031 0.000 0.989 636 I CA -0.558 60.682 61.300 -0.100 0.000 1.188 636 I CB 1.398 39.356 38.000 -0.069 0.000 1.342 636 I HN 0.594 nan 8.210 nan 0.000 0.457 637 E N 6.724 126.975 120.200 0.085 0.000 2.133 637 E HA 0.453 4.819 4.350 0.027 0.000 0.274 637 E C -1.588 175.120 176.600 0.179 0.000 0.930 637 E CA -0.573 55.892 56.400 0.107 0.000 0.770 637 E CB 1.606 31.351 29.700 0.075 0.000 1.104 637 E HN 0.329 nan 8.360 nan 0.000 0.403 638 V N 4.110 124.111 119.914 0.146 0.000 2.435 638 V HA 0.341 4.477 4.120 0.027 0.000 0.290 638 V C -0.089 176.030 176.094 0.042 0.000 1.030 638 V CA -0.531 61.820 62.300 0.085 0.000 0.881 638 V CB 1.891 33.800 31.823 0.144 0.000 0.983 638 V HN 0.730 nan 8.190 nan 0.000 0.445 639 T N 3.108 117.647 114.554 -0.026 0.000 2.829 639 T HA 0.364 4.730 4.350 0.027 0.000 0.280 639 T C -0.128 174.603 174.700 0.051 0.000 0.999 639 T CA -0.300 61.809 62.100 0.015 0.000 0.983 639 T CB 1.614 70.468 68.868 -0.024 0.000 0.968 639 T HN 0.664 nan 8.240 nan 0.000 0.446 640 S N 1.458 117.206 115.700 0.078 0.000 2.525 640 S HA 0.238 4.724 4.470 0.027 0.000 0.278 640 S C 0.695 175.209 174.600 -0.142 0.000 1.234 640 S CA -0.538 57.663 58.200 0.002 0.000 1.058 640 S CB 0.653 63.920 63.200 0.112 0.000 0.983 640 S HN 0.735 nan 8.310 nan 0.000 0.495 641 E N 2.801 122.817 120.200 -0.306 0.000 2.476 641 E HA 0.117 4.483 4.350 0.027 0.000 0.196 641 E C -0.833 175.605 176.600 -0.270 0.000 1.029 641 E CA -0.117 56.123 56.400 -0.267 0.000 0.896 641 E CB 0.352 29.867 29.700 -0.308 0.000 1.012 641 E HN 0.682 nan 8.360 nan 0.000 0.475 642 Y N 0.185 120.372 120.300 -0.189 0.000 2.336 642 Y HA 0.053 4.619 4.550 0.027 0.000 0.331 642 Y C 1.366 177.096 175.900 -0.283 0.000 1.211 642 Y CA -0.066 57.907 58.100 -0.212 0.000 1.346 642 Y CB 0.853 39.172 38.460 -0.235 0.000 1.271 642 Y HN -0.042 nan 8.280 nan 0.000 0.538 643 L N 1.080 122.130 121.223 -0.288 0.000 2.408 643 L HA 0.070 4.426 4.340 0.027 0.000 0.215 643 L C 0.673 177.099 176.870 -0.742 0.000 1.081 643 L CA 0.629 55.060 54.840 -0.681 0.000 0.840 643 L CB 0.036 41.370 42.059 -1.209 0.000 1.002 643 L HN 0.638 nan 8.230 nan 0.000 0.468 644 F N -0.320 119.652 119.950 0.037 0.000 2.711 644 F HA 0.224 4.766 4.527 0.025 0.000 0.296 644 F C 1.211 177.010 175.800 -0.001 0.000 1.096 644 F CA -0.788 57.212 58.000 0.001 0.000 1.280 644 F CB 0.327 39.307 39.000 -0.033 0.000 1.060 644 F HN -0.130 nan 8.300 nan 0.000 0.608 645 R N -0.148 120.397 120.500 0.075 0.000 2.720 645 R HA 0.452 4.808 4.340 0.027 0.000 0.272 645 R C -0.665 175.635 176.300 0.000 0.000 0.991 645 R CA -0.690 55.421 56.100 0.018 0.000 1.010 645 R CB 0.868 31.072 30.300 -0.161 0.000 1.141 645 R HN 0.071 nan 8.270 nan 0.000 0.494 646 H N 0.200 119.262 119.070 -0.014 0.000 2.508 646 H HA 0.105 4.677 4.556 0.027 0.000 0.358 646 H C 0.079 175.426 175.328 0.033 0.000 1.212 646 H CA -0.126 55.945 56.048 0.038 0.000 1.356 646 H CB 1.724 31.512 29.762 0.043 0.000 1.525 646 H HN 0.744 nan 8.280 nan 0.000 0.578 647 S N 1.032 116.862 115.700 0.217 0.000 4.139 647 S HA -0.041 4.445 4.470 0.027 0.000 0.215 647 S C 0.291 174.982 174.600 0.151 0.000 1.390 647 S CA -0.733 57.599 58.200 0.220 0.000 0.885 647 S CB -0.690 62.658 63.200 0.246 0.000 1.560 647 S HN 0.566 nan 8.310 nan 0.000 0.449 648 D N 0.631 121.097 120.400 0.111 0.000 2.336 648 D HA 0.057 4.713 4.640 0.027 0.000 0.228 648 D C 0.280 176.611 176.300 0.052 0.000 1.120 648 D CA -0.265 53.781 54.000 0.077 0.000 0.839 648 D CB -0.312 40.521 40.800 0.055 0.000 0.932 648 D HN 0.486 nan 8.370 nan 0.000 0.509 649 N N 0.201 118.939 118.700 0.063 0.000 2.636 649 N HA 0.151 4.907 4.740 0.027 0.000 0.287 649 N C -1.568 173.988 175.510 0.077 0.000 1.817 649 N CA -0.174 52.907 53.050 0.051 0.000 0.842 649 N CB 0.315 38.821 38.487 0.031 0.000 1.353 649 N HN -0.038 nan 8.380 nan 0.000 0.500 650 E N -0.089 120.153 120.200 0.070 0.000 2.335 650 E HA 0.519 4.885 4.350 0.027 0.000 0.280 650 E C -1.545 175.077 176.600 0.037 0.000 0.918 650 E CA -0.743 55.689 56.400 0.053 0.000 0.765 650 E CB 2.168 31.881 29.700 0.021 0.000 1.218 650 E HN 0.297 nan 8.360 nan 0.000 0.425 651 L N 0.416 121.663 121.223 0.039 0.000 2.409 651 L HA 0.729 5.085 4.340 0.027 0.000 0.262 651 L C -1.758 175.173 176.870 0.102 0.000 0.992 651 L CA -1.014 53.874 54.840 0.080 0.000 0.817 651 L CB 1.313 43.446 42.059 0.124 0.000 1.350 651 L HN 0.511 nan 8.230 nan 0.000 0.411 652 L N 2.942 124.264 121.223 0.165 0.000 2.264 652 L HA 0.582 4.938 4.340 0.027 0.000 0.289 652 L C -0.854 176.228 176.870 0.353 0.000 1.044 652 L CA 0.292 55.265 54.840 0.221 0.000 0.807 652 L CB 0.312 42.509 42.059 0.230 0.000 1.192 652 L HN 0.647 nan 8.230 nan 0.000 0.425 653 H N 4.955 124.088 119.070 0.104 0.000 2.457 653 H HA 0.544 5.116 4.556 0.027 0.000 0.335 653 H C -1.019 174.373 175.328 0.107 0.000 1.115 653 H CA -0.654 55.407 56.048 0.021 0.000 1.219 653 H CB 0.986 30.728 29.762 -0.034 0.000 1.471 653 H HN 0.637 nan 8.280 nan 0.000 0.491 654 W N 3.247 124.630 121.300 0.138 0.000 2.936 654 W HA 0.674 5.350 4.660 0.026 0.000 0.338 654 W C -1.817 174.746 176.519 0.074 0.000 1.121 654 W CA -1.237 56.171 57.345 0.105 0.000 1.209 654 W CB 0.961 30.469 29.460 0.079 0.000 1.420 654 W HN 0.448 nan 8.180 nan 0.000 0.516 655 M N 3.263 123.099 119.600 0.393 0.000 2.378 655 M HA 0.486 4.982 4.480 0.027 0.000 0.289 655 M C -1.442 175.080 176.300 0.370 0.000 1.136 655 M CA -0.965 54.461 55.300 0.210 0.000 0.917 655 M CB 2.408 35.034 32.600 0.044 0.000 1.669 655 M HN 0.085 nan 8.290 nan 0.000 0.461 656 V N 2.016 122.139 119.914 0.348 0.000 2.448 656 V HA 0.954 5.090 4.120 0.027 0.000 0.295 656 V C -0.492 175.718 176.094 0.193 0.000 1.025 656 V CA -0.439 62.041 62.300 0.300 0.000 0.859 656 V CB 1.629 33.641 31.823 0.314 0.000 0.988 656 V HN 0.980 nan 8.190 nan 0.000 0.431 657 A N 4.587 127.524 122.820 0.196 0.000 2.486 657 A HA 0.860 5.196 4.320 0.027 0.000 0.300 657 A C -1.465 176.233 177.584 0.191 0.000 1.048 657 A CA -0.600 51.519 52.037 0.137 0.000 0.696 657 A CB 1.688 20.721 19.000 0.056 0.000 1.278 657 A HN 0.823 nan 8.150 nan 0.000 0.405 658 L N 1.856 123.162 121.223 0.138 0.000 2.262 658 L HA 0.475 4.831 4.340 0.027 0.000 0.288 658 L C -0.488 176.472 176.870 0.149 0.000 1.035 658 L CA 0.261 55.194 54.840 0.155 0.000 0.820 658 L CB 0.270 42.390 42.059 0.102 0.000 1.204 658 L HN 0.759 nan 8.230 nan 0.000 0.424 659 D N 4.815 125.368 120.400 0.255 0.000 2.704 659 D HA -0.227 4.429 4.640 0.027 0.000 0.232 659 D C 1.196 177.522 176.300 0.044 0.000 1.183 659 D CA 1.390 55.530 54.000 0.233 0.000 0.647 659 D CB -1.019 39.897 40.800 0.195 0.000 1.013 659 D HN 1.149 nan 8.370 nan 0.000 0.415 660 G N -0.642 108.145 108.800 -0.022 0.000 2.234 660 G HA2 -0.389 3.587 3.960 0.027 0.000 0.260 660 G HA3 -0.389 3.587 3.960 0.027 0.000 0.260 660 G C 0.333 175.148 174.900 -0.141 0.000 0.987 660 G CA 0.619 45.596 45.100 -0.206 0.000 0.625 660 G HN 0.496 nan 8.290 nan 0.000 0.532 661 K N 2.007 122.377 120.400 -0.050 0.000 2.285 661 K HA 0.440 4.776 4.320 0.027 0.000 0.286 661 K C -2.405 174.182 176.600 -0.022 0.000 1.072 661 K CA -1.770 54.492 56.287 -0.042 0.000 0.913 661 K CB 1.155 33.648 32.500 -0.012 0.000 1.067 661 K HN 0.083 nan 8.250 nan 0.000 0.479 662 P HA -0.067 nan 4.420 nan 0.000 0.266 662 P C 0.003 177.306 177.300 0.006 0.000 1.195 662 P CA 0.174 63.258 63.100 -0.026 0.000 0.768 662 P CB 0.669 32.335 31.700 -0.056 0.000 0.838 663 L N 0.931 122.175 121.223 0.036 0.000 2.713 663 L HA 0.466 4.822 4.340 0.027 0.000 0.223 663 L C 0.666 177.575 176.870 0.065 0.000 1.040 663 L CA 0.474 55.346 54.840 0.054 0.000 0.894 663 L CB 0.302 42.413 42.059 0.087 0.000 1.361 663 L HN 0.401 nan 8.230 nan 0.000 0.490 664 A N -0.194 122.683 122.820 0.095 0.000 2.604 664 A HA 0.648 4.984 4.320 0.027 0.000 0.295 664 A C -0.980 176.570 177.584 -0.057 0.000 1.067 664 A CA 0.029 52.128 52.037 0.104 0.000 0.683 664 A CB 1.786 20.960 19.000 0.291 0.000 1.281 664 A HN 0.126 nan 8.150 nan 0.000 0.407 665 S N -0.260 115.143 115.700 -0.494 0.000 2.547 665 S HA 0.917 5.403 4.470 0.027 0.000 0.270 665 S C -0.342 173.410 174.600 -1.413 0.000 1.150 665 S CA -0.016 57.508 58.200 -1.127 0.000 0.850 665 S CB 1.225 64.081 63.200 -0.573 0.000 1.118 665 S HN 2.501 nan 8.310 nan 0.000 0.461 666 G N 0.373 107.966 108.800 -2.012 0.000 2.645 666 G HA2 0.680 4.656 3.960 0.027 0.000 0.292 666 G HA3 0.680 4.656 3.960 0.027 0.000 0.292 666 G C -2.075 172.342 174.900 -0.806 0.000 1.415 666 G CA -0.751 43.682 45.100 -1.112 0.000 0.785 666 G HN 0.771 nan 8.290 nan 0.000 0.483 667 E N -1.447 118.582 120.200 -0.284 0.000 2.367 667 E HA 0.655 5.021 4.350 0.027 0.000 0.273 667 E C -1.386 175.279 176.600 0.109 0.000 0.903 667 E CA -0.757 55.583 56.400 -0.100 0.000 0.764 667 E CB 3.234 32.824 29.700 -0.184 0.000 1.252 667 E HN 0.316 nan 8.360 nan 0.000 0.446 668 V N 2.783 122.807 119.914 0.183 0.000 2.777 668 V HA 0.363 4.499 4.120 0.027 0.000 0.306 668 V C -2.479 173.698 176.094 0.138 0.000 1.112 668 V CA -1.855 60.544 62.300 0.165 0.000 0.917 668 V CB 1.949 33.892 31.823 0.199 0.000 1.018 668 V HN 0.588 nan 8.190 nan 0.000 0.426 669 P HA 0.216 nan 4.420 nan 0.000 0.268 669 P C -0.852 176.499 177.300 0.085 0.000 1.205 669 P CA 0.026 63.179 63.100 0.088 0.000 0.771 669 P CB 0.917 32.660 31.700 0.072 0.000 0.858 670 L N 3.174 124.438 121.223 0.069 0.000 2.282 670 L HA 0.338 4.694 4.340 0.027 0.000 0.288 670 L C 0.233 177.150 176.870 0.079 0.000 1.033 670 L CA -0.139 54.733 54.840 0.054 0.000 0.807 670 L CB 1.231 43.276 42.059 -0.023 0.000 1.209 670 L HN 0.335 nan 8.230 nan 0.000 0.423 671 D N 3.815 124.275 120.400 0.100 0.000 2.363 671 D HA 0.341 4.997 4.640 0.027 0.000 0.258 671 D C -1.262 175.132 176.300 0.156 0.000 1.259 671 D CA -0.176 53.908 54.000 0.141 0.000 0.921 671 D CB 1.138 42.014 40.800 0.126 0.000 1.201 671 D HN 0.034 nan 8.370 nan 0.000 0.524 672 V N 1.699 121.708 119.914 0.159 0.000 2.555 672 V HA 0.852 4.988 4.120 0.027 0.000 0.302 672 V C 0.795 176.840 176.094 -0.081 0.000 1.038 672 V CA -1.137 61.225 62.300 0.103 0.000 0.887 672 V CB 1.361 33.294 31.823 0.184 0.000 0.991 672 V HN 0.609 nan 8.190 nan 0.000 0.434 673 A N 6.441 129.126 122.820 -0.224 0.000 2.332 673 A HA 0.723 5.059 4.320 0.027 0.000 0.258 673 A C -2.325 175.081 177.584 -0.298 0.000 1.087 673 A CA -1.546 50.100 52.037 -0.652 0.000 0.802 673 A CB -0.050 18.770 19.000 -0.300 0.000 1.042 673 A HN 0.670 nan 8.150 nan 0.000 0.489 674 P HA 0.001 nan 4.420 nan 0.000 0.262 674 P C -0.480 176.767 177.300 -0.090 0.000 1.182 674 P CA 0.602 63.636 63.100 -0.111 0.000 0.761 674 P CB 0.541 32.186 31.700 -0.093 0.000 0.795 675 Q N -1.029 118.729 119.800 -0.071 0.000 2.348 675 Q HA -0.183 4.173 4.340 0.027 0.000 0.221 675 Q C 0.784 176.763 176.000 -0.036 0.000 0.735 675 Q CA 1.750 57.515 55.803 -0.063 0.000 1.351 675 Q CB -2.572 26.124 28.738 -0.071 0.000 1.640 675 Q HN 0.754 nan 8.270 nan 0.000 0.667 676 G N 0.282 109.065 108.800 -0.028 0.000 2.525 676 G HA2 0.539 4.515 3.960 0.027 0.000 0.287 676 G HA3 0.539 4.515 3.960 0.027 0.000 0.287 676 G C -0.228 174.686 174.900 0.024 0.000 1.350 676 G CA -0.502 44.595 45.100 -0.004 0.000 1.039 676 G HN 0.019 nan 8.290 nan 0.000 0.513 677 K N -1.102 119.319 120.400 0.035 0.000 2.444 677 K HA 0.541 4.877 4.320 0.027 0.000 0.252 677 K C -0.899 175.737 176.600 0.060 0.000 0.993 677 K CA -0.613 55.704 56.287 0.049 0.000 0.847 677 K CB 2.493 35.015 32.500 0.037 0.000 1.340 677 K HN 0.512 nan 8.250 nan 0.000 0.446 678 Q N 1.978 121.820 119.800 0.070 0.000 2.315 678 Q HA 0.422 4.778 4.340 0.027 0.000 0.273 678 Q C -1.790 174.250 176.000 0.068 0.000 1.053 678 Q CA -0.657 55.188 55.803 0.071 0.000 0.817 678 Q CB 1.487 30.275 28.738 0.084 0.000 1.326 678 Q HN 0.500 nan 8.270 nan 0.000 0.423 679 L N 4.583 125.836 121.223 0.050 0.000 2.307 679 L HA 0.605 4.961 4.340 0.027 0.000 0.284 679 L C -0.522 176.366 176.870 0.029 0.000 1.023 679 L CA -0.759 54.102 54.840 0.035 0.000 0.810 679 L CB 1.562 43.630 42.059 0.015 0.000 1.231 679 L HN 0.577 nan 8.230 nan 0.000 0.423 680 I N 2.694 123.276 120.570 0.019 0.000 2.436 680 I HA 0.272 4.458 4.170 0.027 0.000 0.289 680 I C -0.130 175.954 176.117 -0.054 0.000 1.010 680 I CA -0.515 60.788 61.300 0.005 0.000 1.098 680 I CB 2.152 40.171 38.000 0.032 0.000 1.266 680 I HN 0.571 nan 8.210 nan 0.000 0.434 681 E N 7.022 127.188 120.200 -0.057 0.000 2.146 681 E HA 0.401 4.767 4.350 0.027 0.000 0.282 681 E C -0.921 175.589 176.600 -0.150 0.000 0.989 681 E CA -0.572 55.771 56.400 -0.096 0.000 0.799 681 E CB 1.507 31.169 29.700 -0.063 0.000 1.088 681 E HN 0.485 nan 8.360 nan 0.000 0.397 682 L N 5.511 126.590 121.223 -0.240 0.000 2.350 682 L HA 0.304 4.660 4.340 0.027 0.000 0.275 682 L C -1.939 174.781 176.870 -0.250 0.000 1.099 682 L CA -1.968 52.649 54.840 -0.371 0.000 0.808 682 L CB 0.645 42.342 42.059 -0.602 0.000 1.149 682 L HN 0.255 nan 8.230 nan 0.000 0.442 683 P HA -0.059 nan 4.420 nan 0.000 0.265 683 P C -0.395 176.844 177.300 -0.102 0.000 1.187 683 P CA -0.100 62.938 63.100 -0.103 0.000 0.766 683 P CB 0.334 32.026 31.700 -0.014 0.000 0.820 684 E N 3.139 123.308 120.200 -0.053 0.000 2.442 684 E HA -0.010 4.356 4.350 0.027 0.000 0.262 684 E C -1.096 175.487 176.600 -0.028 0.000 1.004 684 E CA 0.118 56.491 56.400 -0.046 0.000 0.928 684 E CB 0.247 29.931 29.700 -0.026 0.000 0.937 684 E HN 0.315 nan 8.360 nan 0.000 0.446 685 L N 5.313 126.517 121.223 -0.031 0.000 2.334 685 L HA 0.424 4.780 4.340 0.027 0.000 0.275 685 L C -1.795 175.082 176.870 0.012 0.000 1.036 685 L CA -2.001 52.838 54.840 -0.002 0.000 0.807 685 L CB 1.543 43.599 42.059 -0.004 0.000 1.231 685 L HN 0.626 nan 8.230 nan 0.000 0.438 686 P HA 0.173 nan 4.420 nan 0.000 0.274 686 P C -1.289 176.026 177.300 0.025 0.000 1.256 686 P CA -0.624 62.493 63.100 0.028 0.000 0.795 686 P CB 0.642 32.365 31.700 0.038 0.000 1.038 687 Q N 0.688 120.500 119.800 0.021 0.000 2.214 687 Q HA 0.411 4.767 4.340 0.027 0.000 0.251 687 Q C -2.047 173.969 176.000 0.026 0.000 0.936 687 Q CA -1.631 54.184 55.803 0.019 0.000 0.894 687 Q CB 0.303 29.048 28.738 0.013 0.000 1.252 687 Q HN 0.354 nan 8.270 nan 0.000 0.448 688 P HA 0.017 nan 4.420 nan 0.000 0.276 688 P C -0.669 176.648 177.300 0.028 0.000 1.230 688 P CA 0.050 63.171 63.100 0.035 0.000 0.776 688 P CB 0.968 32.692 31.700 0.040 0.000 0.888 689 E N 1.212 121.429 120.200 0.028 0.000 2.512 689 E HA 0.036 4.402 4.350 0.027 0.000 0.195 689 E C 0.116 176.731 176.600 0.025 0.000 1.083 689 E CA -0.020 56.394 56.400 0.023 0.000 0.873 689 E CB 0.164 29.876 29.700 0.021 0.000 0.897 689 E HN 0.596 nan 8.360 nan 0.000 0.514 690 S N -2.098 113.619 115.700 0.030 0.000 2.669 690 S HA 0.544 5.030 4.470 0.027 0.000 0.266 690 S C -0.706 173.916 174.600 0.037 0.000 1.149 690 S CA -0.665 57.554 58.200 0.032 0.000 0.842 690 S CB 0.394 63.614 63.200 0.033 0.000 1.160 690 S HN 0.096 nan 8.310 nan 0.000 0.487 691 A N 0.078 122.922 122.820 0.039 0.000 2.466 691 A HA 0.743 5.079 4.320 0.027 0.000 0.238 691 A C 1.073 178.692 177.584 0.058 0.000 1.074 691 A CA 0.663 52.727 52.037 0.044 0.000 0.774 691 A CB -0.916 18.110 19.000 0.045 0.000 1.015 691 A HN 2.634 nan 8.150 nan 0.000 0.498 692 G N -0.332 108.504 108.800 0.061 0.000 2.359 692 G HA2 0.418 4.394 3.960 0.027 0.000 0.303 692 G HA3 0.418 4.394 3.960 0.027 0.000 0.303 692 G C -1.078 173.865 174.900 0.071 0.000 1.293 692 G CA -0.184 44.967 45.100 0.085 0.000 0.964 692 G HN 1.156 nan 8.290 nan 0.000 0.531 693 Q N -0.103 119.764 119.800 0.111 0.000 2.314 693 Q HA 0.714 5.070 4.340 0.027 0.000 0.259 693 Q C -0.264 175.828 176.000 0.154 0.000 0.951 693 Q CA -0.520 55.319 55.803 0.059 0.000 0.909 693 Q CB 1.155 29.905 28.738 0.021 0.000 1.236 693 Q HN 0.562 nan 8.270 nan 0.000 0.444 694 L N 4.496 125.745 121.223 0.043 0.000 2.305 694 L HA 0.455 4.811 4.340 0.027 0.000 0.281 694 L C -0.804 176.117 176.870 0.086 0.000 1.085 694 L CA -0.368 54.543 54.840 0.119 0.000 0.813 694 L CB 0.645 42.735 42.059 0.051 0.000 1.157 694 L HN 0.681 nan 8.230 nan 0.000 0.436 695 W N 4.104 125.472 121.300 0.114 0.000 2.819 695 W HA 0.499 5.175 4.660 0.026 0.000 0.337 695 W C -0.846 175.782 176.519 0.183 0.000 1.077 695 W CA -0.536 56.899 57.345 0.151 0.000 1.226 695 W CB 1.712 31.285 29.460 0.188 0.000 1.419 695 W HN 0.118 nan 8.180 nan 0.000 0.502 696 L N 3.071 124.585 121.223 0.484 0.000 2.296 696 L HA 0.745 5.101 4.340 0.027 0.000 0.286 696 L C -0.338 176.848 176.870 0.527 0.000 1.023 696 L CA 0.179 55.282 54.840 0.438 0.000 0.812 696 L CB 1.242 43.505 42.059 0.339 0.000 1.223 696 L HN 0.324 nan 8.230 nan 0.000 0.421 697 T N 5.024 119.831 114.554 0.421 0.000 2.824 697 T HA 0.692 5.058 4.350 0.027 0.000 0.282 697 T C -0.810 174.091 174.700 0.335 0.000 0.993 697 T CA -0.416 61.891 62.100 0.344 0.000 0.967 697 T CB 1.576 70.579 68.868 0.224 0.000 0.960 697 T HN 0.586 nan 8.240 nan 0.000 0.441 698 V N 1.555 121.637 119.914 0.279 0.000 2.823 698 V HA 0.858 4.994 4.120 0.027 0.000 0.312 698 V C -0.860 175.310 176.094 0.127 0.000 1.072 698 V CA -1.170 61.259 62.300 0.215 0.000 0.937 698 V CB 2.058 33.967 31.823 0.143 0.000 1.013 698 V HN 0.833 nan 8.190 nan 0.000 0.430 699 R N 1.908 122.498 120.500 0.150 0.000 2.651 699 R HA 0.765 5.121 4.340 0.027 0.000 0.278 699 R C -1.686 174.693 176.300 0.132 0.000 1.010 699 R CA -0.778 55.420 56.100 0.164 0.000 0.896 699 R CB 2.728 33.082 30.300 0.089 0.000 1.211 699 R HN 0.681 nan 8.270 nan 0.000 0.456 700 V N 3.178 123.207 119.914 0.191 0.000 2.407 700 V HA 0.386 4.522 4.120 0.027 0.000 0.278 700 V C -0.212 175.918 176.094 0.060 0.000 1.037 700 V CA -0.573 61.799 62.300 0.121 0.000 0.900 700 V CB 1.621 33.528 31.823 0.140 0.000 0.983 700 V HN 0.425 nan 8.190 nan 0.000 0.459 701 V N 4.953 124.843 119.914 -0.040 0.000 2.680 701 V HA 0.423 4.559 4.120 0.027 0.000 0.309 701 V C -0.342 175.757 176.094 0.008 0.000 1.052 701 V CA -0.770 61.481 62.300 -0.082 0.000 0.908 701 V CB 2.002 33.631 31.823 -0.322 0.000 1.001 701 V HN 0.900 nan 8.190 nan 0.000 0.431 702 Q N 5.361 125.196 119.800 0.059 0.000 2.398 702 Q HA 0.295 4.651 4.340 0.027 0.000 0.251 702 Q C -1.796 174.220 176.000 0.027 0.000 0.999 702 Q CA -1.779 54.065 55.803 0.069 0.000 0.874 702 Q CB 2.045 30.840 28.738 0.095 0.000 1.215 702 Q HN 0.476 nan 8.270 nan 0.000 0.470 703 P HA -0.138 nan 4.420 nan 0.000 0.220 703 P C -0.559 176.741 177.300 -0.001 0.000 1.152 703 P CA 0.976 64.086 63.100 0.016 0.000 0.812 703 P CB 0.397 32.114 31.700 0.029 0.000 0.792 704 N N -0.339 118.353 118.700 -0.014 0.000 2.487 704 N HA 0.442 5.198 4.740 0.027 0.000 0.292 704 N C -0.258 175.203 175.510 -0.082 0.000 1.108 704 N CA -0.702 52.326 53.050 -0.037 0.000 0.956 704 N CB 0.991 39.458 38.487 -0.033 0.000 1.176 704 N HN -0.057 nan 8.380 nan 0.000 0.484 705 A N 0.815 123.581 122.820 -0.090 0.000 2.425 705 A HA 0.443 4.779 4.320 0.027 0.000 0.242 705 A C 0.576 178.046 177.584 -0.191 0.000 1.077 705 A CA -0.069 51.882 52.037 -0.144 0.000 0.781 705 A CB 0.016 18.957 19.000 -0.099 0.000 1.020 705 A HN 0.708 nan 8.150 nan 0.000 0.494 706 T N -2.662 111.701 114.554 -0.318 0.000 2.773 706 T HA 0.630 4.996 4.350 0.027 0.000 0.278 706 T C 1.036 175.581 174.700 -0.259 0.000 1.011 706 T CA 0.027 61.922 62.100 -0.342 0.000 1.014 706 T CB 1.129 69.598 68.868 -0.666 0.000 1.293 706 T HN 1.331 nan 8.240 nan 0.000 0.554 707 A N -0.041 122.710 122.820 -0.115 0.000 2.070 707 A HA 0.082 4.418 4.320 0.027 0.000 0.220 707 A C 1.666 179.384 177.584 0.223 0.000 1.159 707 A CA 1.239 53.322 52.037 0.077 0.000 0.656 707 A CB -0.892 18.198 19.000 0.149 0.000 0.800 707 A HN 0.932 nan 8.150 nan 0.000 0.453 708 W N -0.788 120.576 121.300 0.107 0.000 2.714 708 W HA 0.421 5.097 4.660 0.028 0.000 0.353 708 W C -0.246 176.235 176.519 -0.063 0.000 0.999 708 W CA 0.477 57.845 57.345 0.039 0.000 1.629 708 W CB -0.939 28.524 29.460 0.006 0.000 1.106 708 W HN 0.399 nan 8.180 nan 0.000 0.545 709 S N 0.180 115.455 115.700 -0.708 0.000 2.556 709 S HA 0.465 4.951 4.470 0.027 0.000 0.271 709 S C -0.849 173.527 174.600 -0.374 0.000 1.135 709 S CA -0.706 57.091 58.200 -0.671 0.000 0.858 709 S CB 2.706 65.113 63.200 -1.321 0.000 1.114 709 S HN 0.127 nan 8.310 nan 0.000 0.468 710 E N 0.789 120.877 120.200 -0.187 0.000 2.345 710 E HA 0.567 4.933 4.350 0.027 0.000 0.259 710 E C 0.285 176.848 176.600 -0.060 0.000 1.117 710 E CA -0.833 55.515 56.400 -0.087 0.000 0.913 710 E CB 0.938 30.633 29.700 -0.007 0.000 1.057 710 E HN 0.874 nan 8.360 nan 0.000 0.432 711 A N 0.664 123.458 122.820 -0.043 0.000 2.531 711 A HA 0.370 4.706 4.320 0.027 0.000 0.236 711 A C 1.167 178.756 177.584 0.009 0.000 1.062 711 A CA 0.741 52.764 52.037 -0.023 0.000 0.760 711 A CB -0.521 18.470 19.000 -0.016 0.000 0.995 711 A HN 0.820 nan 8.150 nan 0.000 0.501 712 G N 0.525 109.335 108.800 0.017 0.000 2.176 712 G HA2 -0.256 3.720 3.960 0.027 0.000 0.253 712 G HA3 -0.256 3.720 3.960 0.027 0.000 0.253 712 G C 0.248 175.168 174.900 0.034 0.000 0.979 712 G CA 0.732 45.840 45.100 0.013 0.000 0.641 712 G HN 1.766 nan 8.290 nan 0.000 0.530 713 H N 0.518 119.574 119.070 -0.024 0.000 3.034 713 H HA 0.419 4.991 4.556 0.026 0.000 0.324 713 H C 0.724 176.093 175.328 0.068 0.000 1.015 713 H CA 0.328 56.388 56.048 0.019 0.000 1.429 713 H CB 0.161 29.918 29.762 -0.009 0.000 1.429 713 H HN 0.296 nan 8.280 nan 0.000 0.585 714 I N 4.834 125.133 120.570 -0.452 0.000 2.312 714 I HA 0.030 4.216 4.170 0.027 0.000 0.291 714 I C 1.022 176.983 176.117 -0.260 0.000 1.031 714 I CA 0.106 61.264 61.300 -0.236 0.000 1.293 714 I CB 1.361 39.286 38.000 -0.126 0.000 1.403 714 I HN 0.780 nan 8.210 nan 0.000 0.484 715 S N 4.405 120.160 115.700 0.092 0.000 2.492 715 S HA 0.539 5.025 4.470 0.027 0.000 0.218 715 S C 0.539 175.402 174.600 0.439 0.000 1.016 715 S CA 0.111 58.518 58.200 0.345 0.000 0.916 715 S CB 0.490 64.016 63.200 0.544 0.000 0.791 715 S HN 0.699 nan 8.310 nan 0.000 0.513 716 A N 0.266 123.380 122.820 0.490 0.000 2.608 716 A HA 0.662 4.998 4.320 0.027 0.000 0.292 716 A C -1.788 176.158 177.584 0.602 0.000 1.066 716 A CA -0.854 51.452 52.037 0.448 0.000 0.676 716 A CB 0.306 19.630 19.000 0.541 0.000 1.277 716 A HN 0.960 nan 8.150 nan 0.000 0.413 717 W N -0.530 120.943 121.300 0.288 0.000 3.005 717 W HA 0.811 5.487 4.660 0.028 0.000 0.343 717 W C -1.193 175.362 176.519 0.060 0.000 1.243 717 W CA -0.612 56.784 57.345 0.085 0.000 1.186 717 W CB 1.146 30.621 29.460 0.025 0.000 1.453 717 W HN 1.033 nan 8.180 nan 0.000 0.575 718 Q N 0.896 120.724 119.800 0.046 0.000 2.594 718 Q HA 0.411 4.767 4.340 0.027 0.000 0.278 718 Q C -1.656 174.152 176.000 -0.320 0.000 0.961 718 Q CA -0.472 55.187 55.803 -0.240 0.000 0.844 718 Q CB 2.303 30.715 28.738 -0.542 0.000 1.475 718 Q HN 0.633 nan 8.270 nan 0.000 0.389 719 Q N 1.032 120.578 119.800 -0.423 0.000 2.456 719 Q HA 0.681 5.037 4.340 0.027 0.000 0.283 719 Q C -1.188 174.693 176.000 -0.200 0.000 1.084 719 Q CA -0.717 55.059 55.803 -0.044 0.000 0.801 719 Q CB 2.395 31.309 28.738 0.294 0.000 1.434 719 Q HN 0.607 nan 8.270 nan 0.000 0.419 720 W N 0.573 122.039 121.300 0.276 0.000 3.083 720 W HA 0.462 5.137 4.660 0.026 0.000 0.333 720 W C -0.492 175.981 176.519 -0.077 0.000 1.217 720 W CA -0.681 56.728 57.345 0.106 0.000 1.170 720 W CB 1.716 31.201 29.460 0.041 0.000 1.437 720 W HN 0.397 nan 8.180 nan 0.000 0.557 721 R N 1.649 122.042 120.500 -0.179 0.000 2.308 721 R HA 0.474 4.830 4.340 0.027 0.000 0.305 721 R C 0.352 176.512 176.300 -0.234 0.000 1.053 721 R CA -0.229 55.505 56.100 -0.610 0.000 0.957 721 R CB 1.124 30.965 30.300 -0.765 0.000 1.022 721 R HN 0.291 nan 8.270 nan 0.000 0.461 722 L N 1.464 122.570 121.223 -0.196 0.000 2.719 722 L HA 0.534 4.890 4.340 0.027 0.000 0.182 722 L C 0.646 177.442 176.870 -0.123 0.000 1.940 722 L CA -0.919 53.857 54.840 -0.106 0.000 2.839 722 L CB -0.215 41.816 42.059 -0.047 0.000 2.949 722 L HN 0.539 nan 8.230 nan 0.000 0.669 723 A N 0.189 122.962 122.820 -0.078 0.000 2.445 723 A HA 0.261 4.597 4.320 0.027 0.000 0.242 723 A C -0.331 177.211 177.584 -0.069 0.000 1.075 723 A CA 0.127 52.124 52.037 -0.066 0.000 0.777 723 A CB 0.161 19.138 19.000 -0.038 0.000 1.013 723 A HN 0.601 nan 8.150 nan 0.000 0.493 724 E N 1.197 121.359 120.200 -0.063 0.000 2.222 724 E HA 0.344 4.710 4.350 0.027 0.000 0.267 724 E C -1.372 175.218 176.600 -0.017 0.000 0.884 724 E CA -0.753 55.619 56.400 -0.047 0.000 0.764 724 E CB 0.898 30.559 29.700 -0.066 0.000 1.169 724 E HN 0.683 nan 8.360 nan 0.000 0.413 725 N N 4.836 123.538 118.700 0.004 0.000 2.518 725 N HA 0.268 5.024 4.740 0.027 0.000 0.254 725 N C -0.588 174.934 175.510 0.019 0.000 0.979 725 N CA -0.383 52.674 53.050 0.011 0.000 0.930 725 N CB 1.256 39.753 38.487 0.016 0.000 1.152 725 N HN 0.487 nan 8.380 nan 0.000 0.505 726 L N 0.800 122.033 121.223 0.016 0.000 2.456 726 L HA 0.075 4.431 4.340 0.027 0.000 0.272 726 L C 1.268 178.156 176.870 0.029 0.000 1.189 726 L CA 0.194 55.049 54.840 0.024 0.000 0.846 726 L CB 0.435 42.507 42.059 0.021 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.756 117.479 115.700 0.038 0.000 2.474 727 S HA 0.242 4.728 4.470 0.027 0.000 0.276 727 S C 0.589 175.210 174.600 0.034 0.000 1.227 727 S CA -0.697 57.525 58.200 0.038 0.000 1.050 727 S CB 0.935 64.163 63.200 0.046 0.000 0.939 727 S HN 0.484 nan 8.310 nan 0.000 0.490 728 V N 2.793 122.724 119.914 0.029 0.000 3.556 728 V HA 0.332 4.468 4.120 0.027 0.000 0.287 728 V C 0.741 176.851 176.094 0.025 0.000 1.422 728 V CA 0.490 62.805 62.300 0.026 0.000 1.038 728 V CB -0.457 31.379 31.823 0.021 0.000 0.850 728 V HN 0.859 nan 8.190 nan 0.000 0.437 729 T N 2.403 116.973 114.554 0.026 0.000 2.779 729 T HA 0.569 4.935 4.350 0.027 0.000 0.296 729 T C 0.041 174.757 174.700 0.027 0.000 0.938 729 T CA -0.436 61.679 62.100 0.025 0.000 1.119 729 T CB 0.372 69.255 68.868 0.025 0.000 0.891 729 T HN 0.611 nan 8.240 nan 0.000 0.526 730 L N 3.647 124.885 121.223 0.024 0.000 2.525 730 L HA 0.327 4.683 4.340 0.027 0.000 0.278 730 L C -1.337 175.547 176.870 0.023 0.000 1.218 730 L CA -1.426 53.428 54.840 0.023 0.000 0.878 730 L CB -1.155 40.916 42.059 0.020 0.000 1.127 730 L HN 0.412 nan 8.230 nan 0.000 0.492 731 P HA 0.171 nan 4.420 nan 0.000 0.327 731 P C -0.669 176.640 177.300 0.015 0.000 1.414 731 P CA -0.104 63.008 63.100 0.020 0.000 0.823 731 P CB 0.124 31.834 31.700 0.016 0.000 1.899 732 A N -1.527 121.295 122.820 0.005 0.000 2.365 732 A HA 0.639 4.975 4.320 0.027 0.000 0.318 732 A C -0.356 177.199 177.584 -0.048 0.000 1.091 732 A CA -0.482 51.556 52.037 0.001 0.000 0.763 732 A CB 0.972 19.982 19.000 0.017 0.000 1.248 732 A HN 0.533 nan 8.150 nan 0.000 0.442 733 A N 1.734 124.522 122.820 -0.053 0.000 2.537 733 A HA 0.452 4.787 4.320 0.027 0.000 0.260 733 A C 0.812 178.046 177.584 -0.584 0.000 1.082 733 A CA 0.740 52.659 52.037 -0.197 0.000 0.765 733 A CB -0.497 18.502 19.000 -0.003 0.000 1.019 733 A HN 1.385 nan 8.150 nan 0.000 0.507 734 S N 1.525 116.955 115.700 -0.450 0.000 2.565 734 S HA 0.214 4.700 4.470 0.027 0.000 0.276 734 S C 0.742 174.925 174.600 -0.694 0.000 1.326 734 S CA -0.302 57.641 58.200 -0.429 0.000 1.045 734 S CB 0.085 63.189 63.200 -0.160 0.000 0.918 734 S HN 0.734 nan 8.310 nan 0.000 0.505 735 H N 1.915 120.999 119.070 0.024 0.000 2.539 735 H HA 0.452 5.024 4.556 0.027 0.000 0.269 735 H C 0.531 175.873 175.328 0.024 0.000 0.980 735 H CA 0.410 56.471 56.048 0.021 0.000 1.152 735 H CB 0.373 30.145 29.762 0.017 0.000 1.407 735 H HN 0.564 nan 8.280 nan 0.000 0.564 736 A N 1.069 123.916 122.820 0.044 0.000 2.340 736 A HA 0.571 4.907 4.320 0.027 0.000 0.331 736 A C -0.865 176.742 177.584 0.039 0.000 1.140 736 A CA -0.665 51.405 52.037 0.055 0.000 0.801 736 A CB 0.834 19.868 19.000 0.057 0.000 1.234 736 A HN 0.263 nan 8.150 nan 0.000 0.469 737 I N 2.154 122.755 120.570 0.051 0.000 2.509 737 I HA 0.674 4.860 4.170 0.027 0.000 0.293 737 I C -2.450 173.703 176.117 0.060 0.000 1.020 737 I CA -2.170 59.153 61.300 0.039 0.000 1.088 737 I CB 2.132 40.153 38.000 0.034 0.000 1.267 737 I HN 0.458 nan 8.210 nan 0.000 0.430 738 P HA 0.149 nan 4.420 nan 0.000 0.272 738 P C -1.418 175.944 177.300 0.102 0.000 1.230 738 P CA 0.142 63.288 63.100 0.077 0.000 0.788 738 P CB 0.428 32.128 31.700 -0.001 0.000 0.949 739 H N 1.663 120.761 119.070 0.047 0.000 2.572 739 H HA 0.451 5.023 4.556 0.027 0.000 0.359 739 H C -1.500 173.855 175.328 0.045 0.000 1.134 739 H CA -0.950 55.119 56.048 0.034 0.000 1.187 739 H CB 1.711 31.496 29.762 0.038 0.000 1.597 739 H HN 0.251 nan 8.280 nan 0.000 0.524 740 L N 4.202 124.992 121.223 -0.723 0.000 2.282 740 L HA 0.375 4.731 4.340 0.027 0.000 0.288 740 L C -0.797 175.770 176.870 -0.505 0.000 1.033 740 L CA -0.038 54.543 54.840 -0.432 0.000 0.807 740 L CB 1.607 43.479 42.059 -0.311 0.000 1.209 740 L HN 0.596 nan 8.230 nan 0.000 0.423 741 T N 3.514 118.080 114.554 0.019 0.000 2.770 741 T HA 0.456 4.822 4.350 0.027 0.000 0.283 741 T C -0.294 174.520 174.700 0.190 0.000 0.988 741 T CA -0.324 61.891 62.100 0.192 0.000 0.957 741 T CB 0.927 69.960 68.868 0.274 0.000 0.930 741 T HN 0.688 nan 8.240 nan 0.000 0.443 742 T N 3.216 117.876 114.554 0.178 0.000 2.795 742 T HA 0.641 5.007 4.350 0.027 0.000 0.282 742 T C 0.229 175.003 174.700 0.124 0.000 0.980 742 T CA -0.661 61.581 62.100 0.237 0.000 1.012 742 T CB 1.071 70.099 68.868 0.267 0.000 0.936 742 T HN 0.685 nan 8.240 nan 0.000 0.457 743 S N 1.754 117.489 115.700 0.058 0.000 2.704 743 S HA 0.524 5.010 4.470 0.027 0.000 0.296 743 S C 0.958 175.519 174.600 -0.064 0.000 1.138 743 S CA -0.729 57.474 58.200 0.005 0.000 0.875 743 S CB 1.914 65.120 63.200 0.010 0.000 1.151 743 S HN 0.551 nan 8.310 nan 0.000 0.500 744 E N 0.254 120.424 120.200 -0.049 0.000 2.031 744 E HA -0.061 4.305 4.350 0.027 0.000 0.193 744 E C 1.509 178.040 176.600 -0.114 0.000 0.994 744 E CA 1.879 58.237 56.400 -0.070 0.000 0.800 744 E CB -0.226 29.452 29.700 -0.038 0.000 0.752 744 E HN 0.637 nan 8.360 nan 0.000 0.447 745 M N 0.808 120.358 119.600 -0.084 0.000 2.556 745 M HA 0.192 4.688 4.480 0.027 0.000 0.245 745 M C -0.424 175.798 176.300 -0.130 0.000 1.128 745 M CA 0.665 55.910 55.300 -0.091 0.000 1.069 745 M CB -0.277 32.302 32.600 -0.034 0.000 1.469 745 M HN -0.035 nan 8.290 nan 0.000 0.494 746 D N -1.399 118.904 120.400 -0.163 0.000 2.615 746 D HA 0.394 5.050 4.640 0.027 0.000 0.267 746 D C -1.350 174.856 176.300 -0.157 0.000 1.236 746 D CA -0.420 53.497 54.000 -0.139 0.000 0.839 746 D CB 1.858 42.679 40.800 0.036 0.000 1.380 746 D HN -0.046 nan 8.370 nan 0.000 0.433 747 F N 0.829 120.867 119.950 0.147 0.000 2.477 747 F HA 0.395 4.938 4.527 0.027 0.000 0.335 747 F C -0.046 175.894 175.800 0.234 0.000 1.130 747 F CA -0.760 57.324 58.000 0.140 0.000 0.948 747 F CB 1.489 40.538 39.000 0.083 0.000 1.154 747 F HN 0.064 nan 8.300 nan 0.000 0.439 748 C N 4.561 124.085 119.300 0.373 0.000 2.417 748 C HA 0.708 5.184 4.460 0.027 0.000 0.324 748 C C -0.173 175.004 174.990 0.312 0.000 1.240 748 C CA -0.874 58.345 59.018 0.335 0.000 1.632 748 C CB 0.983 28.852 27.740 0.216 0.000 2.241 748 C HN 0.575 nan 8.230 nan 0.000 0.499 749 I N 2.575 123.380 120.570 0.391 0.000 2.404 749 I HA 0.398 4.584 4.170 0.027 0.000 0.293 749 I C -0.060 176.337 176.117 0.466 0.000 0.992 749 I CA 0.106 61.617 61.300 0.351 0.000 1.149 749 I CB 1.194 39.333 38.000 0.231 0.000 1.315 749 I HN 0.625 nan 8.210 nan 0.000 0.446 750 E N 5.919 126.338 120.200 0.364 0.000 2.222 750 E HA 0.621 4.987 4.350 0.027 0.000 0.267 750 E C -1.229 175.561 176.600 0.318 0.000 0.884 750 E CA -0.823 55.764 56.400 0.312 0.000 0.764 750 E CB 2.749 32.551 29.700 0.171 0.000 1.169 750 E HN 0.336 nan 8.360 nan 0.000 0.413 751 L N 3.093 124.521 121.223 0.342 0.000 2.489 751 L HA 0.406 4.762 4.340 0.027 0.000 0.257 751 L C 0.338 177.302 176.870 0.156 0.000 1.215 751 L CA 0.419 55.425 54.840 0.277 0.000 0.915 751 L CB 0.588 42.874 42.059 0.379 0.000 1.146 751 L HN 0.813 nan 8.230 nan 0.000 0.494 752 G N 3.318 112.173 108.800 0.091 0.000 2.675 752 G HA2 -0.449 3.527 3.960 0.027 0.000 0.312 752 G HA3 -0.449 3.527 3.960 0.027 0.000 0.312 752 G C 0.728 175.633 174.900 0.008 0.000 1.186 752 G CA 0.595 45.720 45.100 0.041 0.000 0.965 752 G HN 0.847 nan 8.290 nan 0.000 0.548 753 N N 1.710 120.405 118.700 -0.008 0.000 2.412 753 N HA 0.110 4.866 4.740 0.027 0.000 0.184 753 N C 0.562 176.026 175.510 -0.076 0.000 1.101 753 N CA 0.918 53.944 53.050 -0.041 0.000 0.881 753 N CB 0.195 38.658 38.487 -0.039 0.000 0.969 753 N HN 0.707 nan 8.380 nan 0.000 0.459 754 K N 0.625 120.968 120.400 -0.095 0.000 2.123 754 K HA 0.466 4.802 4.320 0.027 0.000 0.259 754 K C -0.253 176.192 176.600 -0.258 0.000 0.960 754 K CA -0.532 55.586 56.287 -0.281 0.000 0.872 754 K CB 1.817 34.046 32.500 -0.451 0.000 1.079 754 K HN 0.020 nan 8.250 nan 0.000 0.440 755 R N 1.221 121.518 120.500 -0.338 0.000 2.771 755 R HA 0.452 4.808 4.340 0.027 0.000 0.274 755 R C -1.100 175.151 176.300 -0.082 0.000 0.987 755 R CA -0.909 55.165 56.100 -0.044 0.000 0.908 755 R CB 1.971 32.273 30.300 0.003 0.000 1.213 755 R HN 0.538 nan 8.270 nan 0.000 0.468 756 W N 1.881 123.295 121.300 0.190 0.000 2.839 756 W HA 0.322 4.997 4.660 0.026 0.000 0.334 756 W C -0.629 175.945 176.519 0.091 0.000 1.064 756 W CA -0.526 56.851 57.345 0.052 0.000 1.236 756 W CB 2.338 31.809 29.460 0.019 0.000 1.405 756 W HN 0.431 nan 8.180 nan 0.000 0.478 757 Q N 2.896 122.781 119.800 0.142 0.000 2.325 757 Q HA 0.445 4.800 4.340 0.027 0.000 0.270 757 Q C -1.923 173.987 176.000 -0.151 0.000 1.020 757 Q CA -0.462 55.438 55.803 0.161 0.000 0.785 757 Q CB 1.341 30.281 28.738 0.336 0.000 1.259 757 Q HN 0.362 nan 8.270 nan 0.000 0.452 758 F N 3.041 123.084 119.950 0.156 0.000 2.388 758 F HA 0.303 4.846 4.527 0.027 0.000 0.358 758 F C 0.545 176.385 175.800 0.067 0.000 1.122 758 F CA -0.906 57.152 58.000 0.097 0.000 1.056 758 F CB 1.186 40.252 39.000 0.111 0.000 1.155 758 F HN 0.528 nan 8.300 nan 0.000 0.461 759 N N 3.323 122.128 118.700 0.175 0.000 2.475 759 N HA 0.084 4.840 4.740 0.027 0.000 0.267 759 N C 0.925 176.458 175.510 0.038 0.000 1.169 759 N CA 0.187 53.293 53.050 0.093 0.000 0.947 759 N CB 0.769 39.321 38.487 0.108 0.000 1.061 759 N HN 0.649 nan 8.380 nan 0.000 0.466 760 R N 2.345 122.797 120.500 -0.079 0.000 2.200 760 R HA -0.022 4.334 4.340 0.027 0.000 0.208 760 R C 1.114 177.353 176.300 -0.100 0.000 1.033 760 R CA 0.797 56.794 56.100 -0.170 0.000 1.000 760 R CB 0.243 30.323 30.300 -0.365 0.000 0.906 760 R HN 0.565 nan 8.270 nan 0.000 0.462 761 Q N -0.159 119.611 119.800 -0.050 0.000 2.123 761 Q HA -0.037 4.318 4.340 0.027 0.000 0.196 761 Q C 2.135 178.132 176.000 -0.005 0.000 0.958 761 Q CA 1.853 57.640 55.803 -0.026 0.000 0.841 761 Q CB 0.224 28.960 28.738 -0.002 0.000 0.915 761 Q HN 0.274 nan 8.270 nan 0.000 0.455 762 S N -1.944 113.781 115.700 0.042 0.000 2.458 762 S HA 0.183 4.669 4.470 0.027 0.000 0.223 762 S C 1.593 176.142 174.600 -0.085 0.000 1.019 762 S CA 0.590 58.841 58.200 0.085 0.000 0.937 762 S CB 0.225 63.594 63.200 0.282 0.000 0.788 762 S HN 0.470 nan 8.310 nan 0.000 0.511 763 G N 0.316 109.070 108.800 -0.077 0.000 2.159 763 G HA2 -0.225 3.751 3.960 0.027 0.000 0.256 763 G HA3 -0.225 3.751 3.960 0.027 0.000 0.256 763 G C -0.067 174.764 174.900 -0.115 0.000 0.977 763 G CA 0.343 45.366 45.100 -0.127 0.000 0.652 763 G HN 0.543 nan 8.290 nan 0.000 0.531 764 F N -1.053 119.089 119.950 0.320 0.000 2.523 764 F HA 0.686 5.229 4.527 0.027 0.000 0.329 764 F C 0.520 176.386 175.800 0.109 0.000 1.061 764 F CA -1.440 56.711 58.000 0.251 0.000 0.967 764 F CB 1.366 40.464 39.000 0.162 0.000 1.218 764 F HN 0.009 nan 8.300 nan 0.000 0.480 765 L N 1.890 123.231 121.223 0.196 0.000 2.485 765 L HA 0.161 4.517 4.340 0.027 0.000 0.279 765 L C 0.917 177.716 176.870 -0.119 0.000 1.124 765 L CA 0.467 55.106 54.840 -0.334 0.000 0.888 765 L CB 0.267 42.061 42.059 -0.442 0.000 1.217 765 L HN 0.707 nan 8.230 nan 0.000 0.464 766 S N 2.485 118.099 115.700 -0.142 0.000 2.492 766 S HA 0.248 4.734 4.470 0.027 0.000 0.218 766 S C 0.581 175.064 174.600 -0.196 0.000 1.016 766 S CA -0.115 58.035 58.200 -0.083 0.000 0.916 766 S CB 0.112 63.315 63.200 0.004 0.000 0.791 766 S HN 0.659 nan 8.310 nan 0.000 0.513 767 Q N -0.221 119.393 119.800 -0.310 0.000 2.522 767 Q HA 0.723 5.079 4.340 0.027 0.000 0.285 767 Q C -1.974 173.627 176.000 -0.666 0.000 0.982 767 Q CA -0.317 55.136 55.803 -0.583 0.000 0.805 767 Q CB 1.831 30.088 28.738 -0.802 0.000 1.457 767 Q HN 0.402 nan 8.270 nan 0.000 0.394 768 M N 1.388 120.468 119.600 -0.867 0.000 2.421 768 M HA 0.621 5.117 4.480 0.027 0.000 0.287 768 M C -1.640 174.227 176.300 -0.721 0.000 1.183 768 M CA -0.302 54.598 55.300 -0.666 0.000 0.916 768 M CB 2.188 34.395 32.600 -0.655 0.000 1.701 768 M HN 0.496 nan 8.290 nan 0.000 0.470 769 W N 3.284 124.339 121.300 -0.409 0.000 2.936 769 W HA 0.642 5.318 4.660 0.027 0.000 0.338 769 W C -1.417 174.887 176.519 -0.358 0.000 1.121 769 W CA -0.688 56.475 57.345 -0.303 0.000 1.209 769 W CB 1.627 30.955 29.460 -0.219 0.000 1.420 769 W HN 0.437 nan 8.180 nan 0.000 0.516 770 I N 2.603 123.155 120.570 -0.029 0.000 2.437 770 I HA 0.404 4.590 4.170 0.027 0.000 0.279 770 I C 0.793 176.897 176.117 -0.021 0.000 1.028 770 I CA 0.352 61.600 61.300 -0.088 0.000 1.142 770 I CB 1.007 38.932 38.000 -0.125 0.000 1.266 770 I HN 0.730 nan 8.210 nan 0.000 0.461 771 G N 5.380 114.163 108.800 -0.028 0.000 2.565 771 G HA2 -0.337 3.639 3.960 0.027 0.000 0.295 771 G HA3 -0.337 3.639 3.960 0.027 0.000 0.295 771 G C 0.353 175.266 174.900 0.023 0.000 1.165 771 G CA 0.672 45.760 45.100 -0.020 0.000 0.977 771 G HN 0.664 nan 8.290 nan 0.000 0.546 772 D N 0.643 121.069 120.400 0.043 0.000 2.398 772 D HA 0.280 4.936 4.640 0.027 0.000 0.210 772 D C 0.911 177.330 176.300 0.198 0.000 1.094 772 D CA 0.239 54.296 54.000 0.095 0.000 0.839 772 D CB 0.349 41.167 40.800 0.031 0.000 0.963 772 D HN 0.463 nan 8.370 nan 0.000 0.506 773 K N 1.580 122.054 120.400 0.124 0.000 2.292 773 K HA 0.156 4.492 4.320 0.027 0.000 0.290 773 K C -0.095 176.488 176.600 -0.029 0.000 1.083 773 K CA -0.313 56.001 56.287 0.044 0.000 0.918 773 K CB 0.461 32.950 32.500 -0.019 0.000 1.089 773 K HN -0.158 nan 8.250 nan 0.000 0.473 774 K N 2.642 122.963 120.400 -0.132 0.000 2.401 774 K HA -0.015 4.321 4.320 0.027 0.000 0.278 774 K C 0.737 177.144 176.600 -0.322 0.000 1.018 774 K CA -0.037 55.963 56.287 -0.478 0.000 0.981 774 K CB 0.776 33.039 32.500 -0.395 0.000 0.933 774 K HN 0.528 nan 8.250 nan 0.000 0.477 775 Q N 1.557 121.133 119.800 -0.373 0.000 2.396 775 Q HA 0.151 4.507 4.340 0.027 0.000 0.209 775 Q C 0.209 176.132 176.000 -0.128 0.000 0.906 775 Q CA 0.540 56.246 55.803 -0.161 0.000 0.927 775 Q CB 0.437 29.129 28.738 -0.077 0.000 1.069 775 Q HN 0.502 nan 8.270 nan 0.000 0.523 776 L N 0.638 121.714 121.223 -0.245 0.000 2.342 776 L HA 0.364 4.720 4.340 0.027 0.000 0.271 776 L C 0.962 177.705 176.870 -0.212 0.000 1.008 776 L CA -0.388 54.331 54.840 -0.202 0.000 0.818 776 L CB 1.667 43.592 42.059 -0.222 0.000 1.296 776 L HN -0.049 nan 8.230 nan 0.000 0.427 777 L N 0.587 121.679 121.223 -0.219 0.000 2.470 777 L HA 0.157 4.513 4.340 0.027 0.000 0.219 777 L C 0.628 177.383 176.870 -0.192 0.000 1.071 777 L CA 0.466 55.179 54.840 -0.213 0.000 0.850 777 L CB 0.475 42.383 42.059 -0.250 0.000 1.040 777 L HN 0.747 nan 8.230 nan 0.000 0.475 778 T N -3.325 111.095 114.554 -0.223 0.000 2.909 778 T HA 0.532 4.898 4.350 0.027 0.000 0.299 778 T C -2.871 171.763 174.700 -0.111 0.000 1.073 778 T CA -2.011 60.007 62.100 -0.136 0.000 0.999 778 T CB 2.251 71.058 68.868 -0.101 0.000 1.098 778 T HN -0.324 nan 8.240 nan 0.000 0.477 779 P HA 0.258 nan 4.420 nan 0.000 0.270 779 P C -0.611 176.651 177.300 -0.062 0.000 1.223 779 P CA -0.710 62.360 63.100 -0.050 0.000 0.785 779 P CB 0.290 31.989 31.700 -0.003 0.000 0.923 780 L N 3.059 124.285 121.223 0.004 0.000 2.315 780 L HA 0.298 4.654 4.340 0.027 0.000 0.283 780 L C 0.068 176.870 176.870 -0.114 0.000 1.089 780 L CA 0.596 55.466 54.840 0.049 0.000 0.833 780 L CB -0.444 41.767 42.059 0.255 0.000 1.170 780 L HN 0.283 nan 8.230 nan 0.000 0.442 781 R N 2.831 123.172 120.500 -0.265 0.000 2.837 781 R HA 0.444 4.800 4.340 0.027 0.000 0.271 781 R C -1.006 175.142 176.300 -0.253 0.000 0.993 781 R CA -1.046 54.712 56.100 -0.569 0.000 0.931 781 R CB 1.356 31.211 30.300 -0.743 0.000 1.206 781 R HN 0.592 nan 8.270 nan 0.000 0.474 782 D N 1.083 121.393 120.400 -0.150 0.000 2.382 782 D HA 0.060 4.716 4.640 0.027 0.000 0.240 782 D C -0.382 175.537 176.300 -0.634 0.000 1.146 782 D CA 0.355 54.133 54.000 -0.370 0.000 0.897 782 D CB 0.678 41.232 40.800 -0.410 0.000 1.197 782 D HN 0.207 nan 8.370 nan 0.000 0.432 783 Q N 0.905 120.129 119.800 -0.961 0.000 2.289 783 Q HA 0.360 4.716 4.340 0.027 0.000 0.270 783 Q C -1.441 173.819 176.000 -1.233 0.000 1.038 783 Q CA -0.601 54.697 55.803 -0.843 0.000 0.812 783 Q CB 0.881 29.332 28.738 -0.478 0.000 1.300 783 Q HN 0.580 nan 8.270 nan 0.000 0.427 784 F N 0.881 120.420 119.950 -0.685 0.000 2.729 784 F HA 0.215 4.758 4.527 0.026 0.000 0.315 784 F C 0.416 175.747 175.800 -0.782 0.000 1.102 784 F CA -0.198 57.279 58.000 -0.872 0.000 1.204 784 F CB 1.611 39.735 39.000 -1.461 0.000 1.052 784 F HN 0.481 nan 8.300 nan 0.000 0.551 785 T N -0.905 113.324 114.554 -0.542 0.000 2.888 785 T HA 0.796 5.162 4.350 0.027 0.000 0.288 785 T C -0.561 173.867 174.700 -0.454 0.000 1.063 785 T CA -0.993 60.719 62.100 -0.647 0.000 1.010 785 T CB 2.697 71.143 68.868 -0.705 0.000 1.214 785 T HN 0.243 nan 8.240 nan 0.000 0.533 786 R N -0.393 119.890 120.500 -0.362 0.000 2.740 786 R HA 0.764 5.119 4.340 0.027 0.000 0.273 786 R C -0.849 175.490 176.300 0.064 0.000 0.998 786 R CA -1.239 54.777 56.100 -0.140 0.000 0.900 786 R CB 1.486 31.709 30.300 -0.128 0.000 1.223 786 R HN 0.829 nan 8.270 nan 0.000 0.466 787 A N 3.630 126.474 122.820 0.042 0.000 2.505 787 A HA 0.246 4.582 4.320 0.027 0.000 0.271 787 A C -1.915 175.720 177.584 0.086 0.000 1.112 787 A CA -1.177 50.883 52.037 0.039 0.000 0.781 787 A CB -0.562 18.408 19.000 -0.049 0.000 1.059 787 A HN 0.568 nan 8.150 nan 0.000 0.508 788 P HA 0.038 nan 4.420 nan 0.000 0.262 788 P C -0.099 177.302 177.300 0.168 0.000 1.182 788 P CA 0.500 63.749 63.100 0.247 0.000 0.761 788 P CB 0.382 32.261 31.700 0.299 0.000 0.795 789 L N 2.712 124.001 121.223 0.110 0.000 2.479 789 L HA 0.125 4.481 4.340 0.027 0.000 0.248 789 L C 1.922 178.802 176.870 0.016 0.000 1.205 789 L CA -0.352 54.486 54.840 -0.004 0.000 0.817 789 L CB -0.063 41.927 42.059 -0.115 0.000 1.162 789 L HN 0.320 nan 8.230 nan 0.000 0.486 790 D N 0.192 120.541 120.400 -0.085 0.000 2.144 790 D HA -0.148 4.508 4.640 0.027 0.000 0.199 790 D C 1.582 177.799 176.300 -0.139 0.000 0.984 790 D CA 1.303 55.187 54.000 -0.193 0.000 0.834 790 D CB 0.054 40.643 40.800 -0.352 0.000 0.955 790 D HN 0.458 nan 8.370 nan 0.000 0.465 791 N N 1.030 119.662 118.700 -0.114 0.000 2.309 791 N HA -0.103 4.653 4.740 0.027 0.000 0.182 791 N C 1.148 176.663 175.510 0.009 0.000 1.018 791 N CA 0.671 53.683 53.050 -0.063 0.000 0.876 791 N CB -0.111 38.328 38.487 -0.080 0.000 0.972 791 N HN 0.226 nan 8.380 nan 0.000 0.434 792 D N 0.230 120.652 120.400 0.037 0.000 2.194 792 D HA 0.060 4.716 4.640 0.027 0.000 0.204 792 D C 1.952 178.295 176.300 0.072 0.000 0.964 792 D CA 0.404 54.464 54.000 0.100 0.000 0.846 792 D CB 0.182 41.115 40.800 0.221 0.000 0.962 792 D HN 0.316 nan 8.370 nan 0.000 0.490 793 I N 0.149 120.746 120.570 0.046 0.000 2.494 793 I HA 0.081 4.267 4.170 0.027 0.000 0.250 793 I C 1.769 177.903 176.117 0.029 0.000 1.112 793 I CA 0.562 61.877 61.300 0.025 0.000 1.438 793 I CB -0.365 37.626 38.000 -0.015 0.000 1.111 793 I HN 0.038 nan 8.210 nan 0.000 0.431 794 G N 1.449 110.277 108.800 0.046 0.000 2.566 794 G HA2 -0.335 3.641 3.960 0.027 0.000 0.280 794 G HA3 -0.335 3.641 3.960 0.027 0.000 0.280 794 G C 0.682 175.739 174.900 0.261 0.000 1.225 794 G CA 0.740 45.933 45.100 0.155 0.000 0.966 794 G HN 0.511 nan 8.290 nan 0.000 0.560 795 V N -1.763 118.260 119.914 0.182 0.000 3.646 795 V HA 0.545 4.681 4.120 0.027 0.000 0.277 795 V C 1.401 177.517 176.094 0.038 0.000 1.274 795 V CA 1.306 63.664 62.300 0.097 0.000 1.164 795 V CB -0.140 31.637 31.823 -0.078 0.000 0.926 795 V HN 1.233 nan 8.190 nan 0.000 0.442 796 S N 0.914 116.633 115.700 0.032 0.000 2.560 796 S HA 0.300 4.786 4.470 0.027 0.000 0.284 796 S C -0.117 174.490 174.600 0.012 0.000 1.327 796 S CA 0.175 58.378 58.200 0.005 0.000 1.055 796 S CB 0.452 63.651 63.200 -0.003 0.000 0.868 796 S HN 0.834 nan 8.310 nan 0.000 0.506 797 E N 0.850 121.052 120.200 0.003 0.000 2.413 797 E HA 0.573 4.939 4.350 0.027 0.000 0.277 797 E C 0.383 176.989 176.600 0.010 0.000 0.958 797 E CA -0.344 56.063 56.400 0.011 0.000 0.779 797 E CB 1.371 31.075 29.700 0.008 0.000 1.278 797 E HN 0.579 nan 8.360 nan 0.000 0.456 798 A N 0.400 123.231 122.820 0.019 0.000 1.908 798 A HA -0.178 4.158 4.320 0.027 0.000 0.218 798 A C 1.864 179.455 177.584 0.012 0.000 1.181 798 A CA 2.422 54.469 52.037 0.018 0.000 0.627 798 A CB -0.948 18.068 19.000 0.027 0.000 0.818 798 A HN 0.675 nan 8.150 nan 0.000 0.445 799 T N -4.416 110.145 114.554 0.011 0.000 3.118 799 T HA 0.156 4.522 4.350 0.027 0.000 0.260 799 T C 0.824 175.521 174.700 -0.005 0.000 1.139 799 T CA 0.538 62.642 62.100 0.006 0.000 1.085 799 T CB 0.040 68.912 68.868 0.008 0.000 0.934 799 T HN 0.170 nan 8.240 nan 0.000 0.518 800 R N 1.277 121.772 120.500 -0.009 0.000 3.107 800 R HA 0.318 4.674 4.340 0.027 0.000 0.251 800 R C -1.235 175.053 176.300 -0.021 0.000 1.818 800 R CA -0.754 55.334 56.100 -0.020 0.000 1.228 800 R CB 0.237 30.518 30.300 -0.032 0.000 1.459 800 R HN 0.245 nan 8.270 nan 0.000 0.520 801 I N 1.717 122.276 120.570 -0.018 0.000 2.692 801 I HA 0.033 4.219 4.170 0.027 0.000 0.284 801 I C 0.719 176.816 176.117 -0.033 0.000 1.159 801 I CA 0.290 61.578 61.300 -0.020 0.000 1.423 801 I CB 0.731 38.720 38.000 -0.017 0.000 1.380 801 I HN 0.374 nan 8.210 nan 0.000 0.580 802 D N 8.482 128.859 120.400 -0.039 0.000 2.460 802 D HA 0.259 4.915 4.640 0.027 0.000 0.232 802 D C -1.666 174.590 176.300 -0.074 0.000 1.079 802 D CA -2.219 51.749 54.000 -0.054 0.000 0.864 802 D CB 1.596 42.366 40.800 -0.050 0.000 1.048 802 D HN 0.196 nan 8.370 nan 0.000 0.523 803 P HA -0.111 nan 4.420 nan 0.000 0.225 803 P C 0.788 177.996 177.300 -0.153 0.000 1.148 803 P CA 0.614 63.656 63.100 -0.097 0.000 0.779 803 P CB 0.434 32.087 31.700 -0.078 0.000 0.780 804 N N -0.021 118.579 118.700 -0.166 0.000 2.422 804 N HA 0.069 4.825 4.740 0.027 0.000 0.181 804 N C 0.439 175.754 175.510 -0.326 0.000 1.080 804 N CA -0.001 52.903 53.050 -0.242 0.000 0.893 804 N CB -0.410 37.963 38.487 -0.189 0.000 0.973 804 N HN -0.027 nan 8.380 nan 0.000 0.456 805 A N -0.461 122.218 122.820 -0.235 0.000 2.498 805 A HA 0.076 4.412 4.320 0.027 0.000 0.239 805 A C 0.694 178.073 177.584 -0.340 0.000 1.068 805 A CA -0.331 51.574 52.037 -0.221 0.000 0.766 805 A CB -0.143 18.797 19.000 -0.100 0.000 1.003 805 A HN 0.536 nan 8.150 nan 0.000 0.497 806 W N 1.694 122.748 121.300 -0.411 0.000 2.321 806 W HA -0.175 4.500 4.660 0.026 0.000 0.306 806 W C 2.217 178.160 176.519 -0.960 0.000 1.217 806 W CA 1.735 58.578 57.345 -0.837 0.000 1.257 806 W CB -0.310 28.538 29.460 -1.020 0.000 1.145 806 W HN 0.564 nan 8.180 nan 0.000 0.509 807 V N 0.908 120.695 119.914 -0.213 0.000 2.392 807 V HA -0.267 3.869 4.120 0.027 0.000 0.249 807 V C 2.092 178.260 176.094 0.123 0.000 1.059 807 V CA 2.129 64.507 62.300 0.130 0.000 1.051 807 V CB -0.320 31.628 31.823 0.208 0.000 0.658 807 V HN 0.103 nan 8.190 nan 0.000 0.455 808 E N -0.146 120.036 120.200 -0.030 0.000 2.152 808 E HA -0.139 4.227 4.350 0.027 0.000 0.192 808 E C 2.324 178.893 176.600 -0.052 0.000 0.983 808 E CA 0.835 57.224 56.400 -0.019 0.000 0.818 808 E CB -0.267 29.399 29.700 -0.057 0.000 0.758 808 E HN 0.640 nan 8.360 nan 0.000 0.467 809 R N 0.023 120.413 120.500 -0.184 0.000 2.073 809 R HA -0.115 4.241 4.340 0.027 0.000 0.234 809 R C 2.301 178.544 176.300 -0.096 0.000 1.134 809 R CA 1.320 57.287 56.100 -0.221 0.000 0.952 809 R CB -0.246 29.801 30.300 -0.423 0.000 0.850 809 R HN 0.242 nan 8.270 nan 0.000 0.433 810 W N 1.633 122.907 121.300 -0.044 0.000 2.355 810 W HA -0.076 4.601 4.660 0.027 0.000 0.309 810 W C 2.046 178.530 176.519 -0.058 0.000 1.206 810 W CA 0.628 57.843 57.345 -0.218 0.000 1.284 810 W CB -0.720 28.762 29.460 0.037 0.000 1.145 810 W HN 0.121 nan 8.180 nan 0.000 0.502 811 K N 0.079 120.715 120.400 0.393 0.000 2.009 811 K HA -0.140 4.196 4.320 0.027 0.000 0.210 811 K C 2.265 178.943 176.600 0.129 0.000 1.049 811 K CA 2.010 58.489 56.287 0.319 0.000 0.929 811 K CB -0.634 31.990 32.500 0.206 0.000 0.714 811 K HN -0.012 nan 8.250 nan 0.000 0.440 812 A N 1.004 123.865 122.820 0.068 0.000 1.972 812 A HA -0.100 4.236 4.320 0.027 0.000 0.219 812 A C 2.151 179.745 177.584 0.016 0.000 1.169 812 A CA 1.822 53.880 52.037 0.036 0.000 0.635 812 A CB -0.522 18.482 19.000 0.007 0.000 0.810 812 A HN 0.370 nan 8.150 nan 0.000 0.446 813 A N -1.906 120.899 122.820 -0.025 0.000 2.238 813 A HA 0.405 4.741 4.320 0.027 0.000 0.208 813 A C 1.800 179.347 177.584 -0.062 0.000 1.177 813 A CA 1.199 53.229 52.037 -0.012 0.000 0.804 813 A CB -0.890 18.064 19.000 -0.076 0.000 0.823 813 A HN 1.871 nan 8.150 nan 0.000 0.482 814 G N -1.470 107.197 108.800 -0.222 0.000 2.143 814 G HA2 -0.314 3.662 3.960 0.027 0.000 0.249 814 G HA3 -0.314 3.662 3.960 0.027 0.000 0.249 814 G C 0.611 175.497 174.900 -0.022 0.000 0.981 814 G CA 0.683 45.426 45.100 -0.595 0.000 0.665 814 G HN 0.752 nan 8.290 nan 0.000 0.528 815 H N -1.498 117.554 119.070 -0.031 0.000 2.422 815 H HA -0.100 4.472 4.556 0.027 0.000 0.298 815 H C 2.211 177.500 175.328 -0.065 0.000 1.098 815 H CA 1.598 57.642 56.048 -0.007 0.000 1.315 815 H CB 0.073 29.768 29.762 -0.111 0.000 1.382 815 H HN 0.622 nan 8.280 nan 0.000 0.523 816 Y N 0.489 120.911 120.300 0.203 0.000 2.457 816 Y HA -0.084 4.482 4.550 0.026 0.000 0.292 816 Y C 2.106 178.082 175.900 0.127 0.000 1.125 816 Y CA 0.654 58.831 58.100 0.130 0.000 1.254 816 Y CB 0.334 38.857 38.460 0.105 0.000 1.012 816 Y HN 0.177 nan 8.280 nan 0.000 0.555 817 Q N -0.250 119.702 119.800 0.254 0.000 2.319 817 Q HA 0.279 4.635 4.340 0.027 0.000 0.209 817 Q C 0.684 176.858 176.000 0.290 0.000 0.884 817 Q CA -0.119 55.829 55.803 0.242 0.000 0.938 817 Q CB 0.518 29.393 28.738 0.227 0.000 1.098 817 Q HN 0.273 nan 8.270 nan 0.000 0.517 818 A N 2.415 125.421 122.820 0.309 0.000 2.531 818 A HA 0.065 4.401 4.320 0.027 0.000 0.236 818 A C -0.068 177.822 177.584 0.511 0.000 1.062 818 A CA 0.165 52.459 52.037 0.429 0.000 0.760 818 A CB 0.044 19.337 19.000 0.488 0.000 0.995 818 A HN 0.301 nan 8.150 nan 0.000 0.501 819 E N 1.271 121.713 120.200 0.405 0.000 2.222 819 E HA 0.630 4.996 4.350 0.027 0.000 0.267 819 E C -0.494 176.076 176.600 -0.050 0.000 0.884 819 E CA -0.845 55.707 56.400 0.254 0.000 0.764 819 E CB 1.741 31.545 29.700 0.174 0.000 1.169 819 E HN 0.704 nan 8.360 nan 0.000 0.413 820 A N 2.397 125.070 122.820 -0.245 0.000 2.409 820 A HA 0.525 4.861 4.320 0.027 0.000 0.267 820 A C -0.039 177.411 177.584 -0.223 0.000 1.127 820 A CA -0.128 51.497 52.037 -0.686 0.000 0.795 820 A CB 0.262 19.062 19.000 -0.333 0.000 1.061 820 A HN 0.699 nan 8.150 nan 0.000 0.502 821 A N 2.886 125.560 122.820 -0.244 0.000 2.288 821 A HA 0.570 4.906 4.320 0.027 0.000 0.320 821 A C -0.311 177.193 177.584 -0.133 0.000 1.217 821 A CA -0.556 51.413 52.037 -0.113 0.000 0.840 821 A CB 0.381 19.327 19.000 -0.090 0.000 1.179 821 A HN 1.266 nan 8.150 nan 0.000 0.504 822 L N 3.364 124.494 121.223 -0.155 0.000 2.410 822 L HA 0.290 4.646 4.340 0.027 0.000 0.273 822 L C 0.508 177.225 176.870 -0.255 0.000 1.144 822 L CA 0.326 54.946 54.840 -0.367 0.000 0.863 822 L CB 0.276 42.139 42.059 -0.327 0.000 1.140 822 L HN 0.776 nan 8.230 nan 0.000 0.463 823 L N 3.385 124.445 121.223 -0.272 0.000 2.316 823 L HA 0.270 4.626 4.340 0.027 0.000 0.207 823 L C 0.433 177.226 176.870 -0.129 0.000 1.070 823 L CA 0.172 54.927 54.840 -0.142 0.000 0.820 823 L CB -0.038 41.974 42.059 -0.078 0.000 0.992 823 L HN 0.791 nan 8.230 nan 0.000 0.466 824 Q N -0.571 119.123 119.800 -0.177 0.000 2.438 824 Q HA 0.344 4.700 4.340 0.027 0.000 0.272 824 Q C -1.936 174.001 176.000 -0.104 0.000 0.994 824 Q CA -0.679 55.062 55.803 -0.104 0.000 0.887 824 Q CB 2.790 31.499 28.738 -0.049 0.000 1.432 824 Q HN 0.028 nan 8.270 nan 0.000 0.392 825 C N 3.297 122.582 119.300 -0.024 0.000 2.789 825 C HA 0.785 5.261 4.460 0.027 0.000 0.367 825 C C -0.851 174.262 174.990 0.204 0.000 1.062 825 C CA 0.591 59.648 59.018 0.064 0.000 1.297 825 C CB 0.544 28.308 27.740 0.040 0.000 1.794 825 C HN 0.854 nan 8.230 nan 0.000 0.474 826 T N 2.313 116.940 114.554 0.122 0.000 2.901 826 T HA 0.904 5.270 4.350 0.027 0.000 0.293 826 T C -0.513 174.000 174.700 -0.311 0.000 1.084 826 T CA -0.371 61.751 62.100 0.037 0.000 1.008 826 T CB 1.962 70.816 68.868 -0.023 0.000 1.170 826 T HN 1.568 nan 8.240 nan 0.000 0.509 827 A N 1.471 123.901 122.820 -0.651 0.000 2.356 827 A HA 0.726 5.062 4.320 0.027 0.000 0.310 827 A C -1.246 176.067 177.584 -0.451 0.000 1.075 827 A CA -0.773 50.752 52.037 -0.853 0.000 0.746 827 A CB 1.064 19.028 19.000 -1.728 0.000 1.221 827 A HN 0.847 nan 8.150 nan 0.000 0.443 828 D N 1.973 122.175 120.400 -0.331 0.000 2.649 828 D HA 0.455 5.111 4.640 0.027 0.000 0.249 828 D C -0.478 175.707 176.300 -0.192 0.000 1.112 828 D CA 0.009 53.882 54.000 -0.211 0.000 0.850 828 D CB 2.096 42.809 40.800 -0.144 0.000 1.399 828 D HN 0.596 nan 8.370 nan 0.000 0.503 829 T N 0.001 114.463 114.554 -0.153 0.000 2.744 829 T HA 0.609 4.975 4.350 0.027 0.000 0.291 829 T C 0.498 175.141 174.700 -0.094 0.000 0.957 829 T CA -0.607 61.413 62.100 -0.133 0.000 1.002 829 T CB 0.596 69.388 68.868 -0.126 0.000 0.919 829 T HN 0.194 nan 8.240 nan 0.000 0.468 830 L N 2.585 123.757 121.223 -0.085 0.000 2.635 830 L HA 0.643 4.998 4.340 0.027 0.000 0.250 830 L C 2.245 179.088 176.870 -0.045 0.000 1.117 830 L CA -1.158 53.646 54.840 -0.061 0.000 0.834 830 L CB -0.035 41.990 42.059 -0.057 0.000 1.544 830 L HN 0.753 nan 8.230 nan 0.000 0.511 831 A N 0.440 123.241 122.820 -0.031 0.000 1.877 831 A HA -0.166 4.170 4.320 0.027 0.000 0.216 831 A C 1.232 178.806 177.584 -0.016 0.000 1.186 831 A CA 2.020 54.046 52.037 -0.018 0.000 0.620 831 A CB -0.527 18.467 19.000 -0.009 0.000 0.822 831 A HN 0.885 nan 8.150 nan 0.000 0.443 832 D N -2.084 118.302 120.400 -0.023 0.000 2.538 832 D HA 0.561 5.217 4.640 0.027 0.000 0.231 832 D C -0.000 176.277 176.300 -0.038 0.000 1.229 832 D CA 0.628 54.615 54.000 -0.023 0.000 0.828 832 D CB -0.088 40.699 40.800 -0.022 0.000 1.035 832 D HN 0.503 nan 8.370 nan 0.000 0.495 833 A N -0.723 122.066 122.820 -0.053 0.000 2.540 833 A HA 0.605 4.941 4.320 0.027 0.000 0.291 833 A C -1.779 175.744 177.584 -0.102 0.000 1.083 833 A CA -0.721 51.270 52.037 -0.078 0.000 0.650 833 A CB 1.335 20.288 19.000 -0.078 0.000 1.292 833 A HN 0.013 nan 8.150 nan 0.000 0.435 834 V N 0.519 120.352 119.914 -0.136 0.000 2.555 834 V HA 0.627 4.763 4.120 0.027 0.000 0.302 834 V C -1.005 174.978 176.094 -0.185 0.000 1.038 834 V CA -0.452 61.745 62.300 -0.172 0.000 0.887 834 V CB 1.454 33.163 31.823 -0.191 0.000 0.991 834 V HN 0.799 nan 8.190 nan 0.000 0.434 835 L N 6.302 127.407 121.223 -0.197 0.000 2.316 835 L HA 0.591 4.947 4.340 0.027 0.000 0.280 835 L C -0.685 176.037 176.870 -0.247 0.000 1.006 835 L CA 0.024 54.757 54.840 -0.178 0.000 0.836 835 L CB 1.001 42.982 42.059 -0.129 0.000 1.221 835 L HN 0.402 nan 8.230 nan 0.000 0.418 836 I N 3.998 124.416 120.570 -0.254 0.000 2.336 836 I HA 0.394 4.580 4.170 0.027 0.000 0.292 836 I C 0.080 176.157 176.117 -0.066 0.000 0.991 836 I CA -0.202 60.905 61.300 -0.321 0.000 1.227 836 I CB 1.398 38.966 38.000 -0.720 0.000 1.366 836 I HN 0.510 nan 8.210 nan 0.000 0.466 837 T N 5.015 119.533 114.554 -0.060 0.000 2.807 837 T HA 0.658 5.024 4.350 0.027 0.000 0.279 837 T C 0.224 174.964 174.700 0.066 0.000 0.993 837 T CA -0.550 61.564 62.100 0.023 0.000 0.970 837 T CB 1.865 70.725 68.868 -0.015 0.000 0.950 837 T HN 0.784 nan 8.240 nan 0.000 0.441 838 T N -0.685 113.943 114.554 0.124 0.000 2.883 838 T HA 0.881 5.247 4.350 0.027 0.000 0.296 838 T C -1.309 173.449 174.700 0.096 0.000 1.117 838 T CA -1.082 61.078 62.100 0.100 0.000 1.006 838 T CB 2.030 71.036 68.868 0.230 0.000 1.191 838 T HN 0.842 nan 8.240 nan 0.000 0.508 839 A N 1.227 124.029 122.820 -0.030 0.000 2.488 839 A HA 0.766 5.102 4.320 0.027 0.000 0.295 839 A C -1.523 175.972 177.584 -0.147 0.000 1.045 839 A CA -0.753 51.303 52.037 0.031 0.000 0.703 839 A CB 0.922 19.936 19.000 0.024 0.000 1.271 839 A HN 1.022 nan 8.150 nan 0.000 0.400 840 H N -0.149 118.957 119.070 0.059 0.000 2.928 840 H HA 0.801 5.373 4.556 0.027 0.000 0.371 840 H C -0.089 175.210 175.328 -0.050 0.000 1.186 840 H CA 0.307 56.297 56.048 -0.098 0.000 1.134 840 H CB 2.168 31.789 29.762 -0.234 0.000 1.824 840 H HN 1.059 nan 8.280 nan 0.000 0.554 841 A N 1.453 124.234 122.820 -0.065 0.000 2.365 841 A HA 0.484 4.820 4.320 0.027 0.000 0.318 841 A C -1.439 176.051 177.584 -0.157 0.000 1.091 841 A CA -0.687 51.378 52.037 0.048 0.000 0.763 841 A CB 1.252 20.275 19.000 0.039 0.000 1.248 841 A HN 0.555 nan 8.150 nan 0.000 0.442 842 W N 1.768 123.170 121.300 0.169 0.000 2.475 842 W HA 0.443 5.120 4.660 0.027 0.000 0.317 842 W C -0.431 176.108 176.519 0.033 0.000 1.046 842 W CA -0.131 57.313 57.345 0.164 0.000 1.215 842 W CB 1.794 31.404 29.460 0.249 0.000 1.335 842 W HN 0.757 nan 8.180 nan 0.000 0.471 843 Q N 1.756 121.683 119.800 0.212 0.000 2.433 843 Q HA 0.405 4.761 4.340 0.027 0.000 0.279 843 Q C -0.931 175.207 176.000 0.230 0.000 1.105 843 Q CA -0.843 55.049 55.803 0.148 0.000 0.815 843 Q CB 3.693 32.476 28.738 0.075 0.000 1.403 843 Q HN 0.385 nan 8.270 nan 0.000 0.435 844 H N 1.492 120.599 119.070 0.061 0.000 3.096 844 H HA 0.083 4.655 4.556 0.027 0.000 0.335 844 H C -1.015 174.347 175.328 0.056 0.000 0.990 844 H CA -0.081 56.014 56.048 0.078 0.000 1.393 844 H CB 1.117 30.942 29.762 0.106 0.000 1.742 844 H HN 0.831 nan 8.280 nan 0.000 0.501 845 Q N 3.323 122.878 119.800 -0.409 0.000 2.451 845 Q HA -0.251 4.105 4.340 0.027 0.000 0.305 845 Q C 0.969 176.910 176.000 -0.098 0.000 1.345 845 Q CA 1.169 56.797 55.803 -0.291 0.000 0.854 845 Q CB -1.372 27.147 28.738 -0.364 0.000 1.162 845 Q HN 1.188 nan 8.270 nan 0.000 0.440 846 G N -0.612 108.158 108.800 -0.051 0.000 2.253 846 G HA2 -0.378 3.598 3.960 0.027 0.000 0.251 846 G HA3 -0.378 3.598 3.960 0.027 0.000 0.251 846 G C 0.077 174.981 174.900 0.007 0.000 0.998 846 G CA 0.521 45.612 45.100 -0.015 0.000 0.621 846 G HN 0.389 nan 8.290 nan 0.000 0.524 847 K N 1.527 121.942 120.400 0.026 0.000 2.156 847 K HA 0.651 4.987 4.320 0.027 0.000 0.271 847 K C -0.009 176.606 176.600 0.025 0.000 0.995 847 K CA -0.076 56.230 56.287 0.031 0.000 0.890 847 K CB 1.003 33.532 32.500 0.049 0.000 1.073 847 K HN -0.002 nan 8.250 nan 0.000 0.454 848 T N 5.968 120.526 114.554 0.006 0.000 2.723 848 T HA 0.203 4.569 4.350 0.027 0.000 0.297 848 T C 1.076 175.719 174.700 -0.094 0.000 0.925 848 T CA -0.359 61.739 62.100 -0.004 0.000 1.030 848 T CB 0.268 69.149 68.868 0.023 0.000 0.905 848 T HN 0.542 nan 8.240 nan 0.000 0.502 849 L N 2.541 123.619 121.223 -0.241 0.000 2.084 849 L HA 0.298 4.654 4.340 0.027 0.000 0.202 849 L C -0.051 176.300 176.870 -0.865 0.000 1.074 849 L CA 1.003 55.418 54.840 -0.709 0.000 0.757 849 L CB 0.009 41.248 42.059 -1.367 0.000 0.918 849 L HN 0.529 nan 8.230 nan 0.000 0.444 850 F N -1.292 118.630 119.950 -0.047 0.000 2.613 850 F HA 0.576 5.119 4.527 0.026 0.000 0.310 850 F C -0.530 175.396 175.800 0.211 0.000 1.085 850 F CA -0.801 57.116 58.000 -0.139 0.000 0.945 850 F CB 1.852 40.327 39.000 -0.874 0.000 1.298 850 F HN -0.323 nan 8.300 nan 0.000 0.455 851 I N 1.475 122.275 120.570 0.383 0.000 2.498 851 I HA 0.406 4.592 4.170 0.027 0.000 0.290 851 I C -0.834 175.561 176.117 0.464 0.000 1.032 851 I CA -0.559 60.992 61.300 0.418 0.000 1.073 851 I CB 2.253 40.402 38.000 0.248 0.000 1.251 851 I HN 0.565 nan 8.210 nan 0.000 0.426 852 S N 6.633 122.695 115.700 0.603 0.000 2.552 852 S HA 0.578 5.064 4.470 0.027 0.000 0.314 852 S C -0.734 174.103 174.600 0.396 0.000 1.099 852 S CA -0.670 57.855 58.200 0.541 0.000 1.070 852 S CB 0.728 64.395 63.200 0.779 0.000 0.998 852 S HN 0.548 nan 8.310 nan 0.000 0.474 853 R N 3.520 124.181 120.500 0.267 0.000 2.437 853 R HA 0.563 4.919 4.340 0.027 0.000 0.310 853 R C -0.773 175.600 176.300 0.123 0.000 0.955 853 R CA -0.736 55.475 56.100 0.186 0.000 0.851 853 R CB 1.812 32.195 30.300 0.138 0.000 1.161 853 R HN 0.572 nan 8.270 nan 0.000 0.446 854 K N 0.662 121.126 120.400 0.106 0.000 2.480 854 K HA 0.484 4.820 4.320 0.027 0.000 0.258 854 K C -0.776 175.795 176.600 -0.048 0.000 0.990 854 K CA -0.959 55.312 56.287 -0.025 0.000 0.857 854 K CB 2.456 34.897 32.500 -0.099 0.000 1.384 854 K HN 0.604 nan 8.250 nan 0.000 0.446 855 T N -1.512 112.932 114.554 -0.184 0.000 2.893 855 T HA 0.565 4.931 4.350 0.027 0.000 0.293 855 T C -1.376 173.157 174.700 -0.278 0.000 1.027 855 T CA -0.723 61.302 62.100 -0.124 0.000 0.988 855 T CB 0.550 69.384 68.868 -0.056 0.000 1.043 855 T HN 0.435 nan 8.240 nan 0.000 0.461 856 Y N 0.813 121.075 120.300 -0.064 0.000 2.326 856 Y HA 0.606 5.172 4.550 0.027 0.000 0.329 856 Y C 0.390 176.214 175.900 -0.128 0.000 0.973 856 Y CA -1.016 57.057 58.100 -0.046 0.000 1.162 856 Y CB 2.008 40.433 38.460 -0.058 0.000 1.147 856 Y HN 0.664 nan 8.280 nan 0.000 0.456 857 R N 4.519 125.038 120.500 0.031 0.000 2.288 857 R HA 0.649 5.005 4.340 0.027 0.000 0.326 857 R C -1.554 174.687 176.300 -0.098 0.000 0.959 857 R CA -0.348 55.723 56.100 -0.049 0.000 0.834 857 R CB 0.573 30.852 30.300 -0.035 0.000 1.157 857 R HN 0.754 nan 8.270 nan 0.000 0.470 858 I N 5.012 125.468 120.570 -0.190 0.000 2.378 858 I HA 0.224 4.410 4.170 0.027 0.000 0.291 858 I C -0.224 175.765 176.117 -0.213 0.000 0.992 858 I CA -0.739 60.375 61.300 -0.310 0.000 1.154 858 I CB 1.561 39.185 38.000 -0.627 0.000 1.315 858 I HN 0.704 nan 8.210 nan 0.000 0.448 859 D N 4.349 124.663 120.400 -0.143 0.000 2.616 859 D HA 0.251 4.907 4.640 0.027 0.000 0.260 859 D C 1.184 177.459 176.300 -0.041 0.000 1.158 859 D CA -0.653 53.301 54.000 -0.078 0.000 1.085 859 D CB 0.737 41.510 40.800 -0.046 0.000 1.222 859 D HN 0.483 nan 8.370 nan 0.000 0.626 860 G N -0.979 107.808 108.800 -0.022 0.000 2.470 860 G HA2 -0.200 3.776 3.960 0.027 0.000 0.220 860 G HA3 -0.200 3.776 3.960 0.027 0.000 0.220 860 G C 1.261 176.173 174.900 0.020 0.000 1.121 860 G CA 1.185 46.286 45.100 0.001 0.000 0.766 860 G HN 0.561 nan 8.290 nan 0.000 0.553 861 S N -0.531 115.177 115.700 0.014 0.000 2.607 861 S HA 0.318 4.804 4.470 0.027 0.000 0.224 861 S C 1.951 176.601 174.600 0.084 0.000 0.969 861 S CA 0.967 59.188 58.200 0.035 0.000 0.927 861 S CB -0.212 63.004 63.200 0.028 0.000 0.772 861 S HN 1.486 nan 8.310 nan 0.000 0.533 862 G N 0.350 109.222 108.800 0.121 0.000 2.184 862 G HA2 -0.266 3.710 3.960 0.027 0.000 0.264 862 G HA3 -0.266 3.710 3.960 0.027 0.000 0.264 862 G C -0.167 174.878 174.900 0.242 0.000 0.975 862 G CA 0.246 45.492 45.100 0.245 0.000 0.642 862 G HN 0.623 nan 8.290 nan 0.000 0.536 863 Q N -0.419 119.458 119.800 0.129 0.000 2.235 863 Q HA 0.641 4.997 4.340 0.027 0.000 0.250 863 Q C 0.278 176.316 176.000 0.065 0.000 0.909 863 Q CA -0.296 55.588 55.803 0.135 0.000 0.910 863 Q CB 1.476 30.275 28.738 0.101 0.000 1.223 863 Q HN 0.440 nan 8.270 nan 0.000 0.432 864 M N 2.190 121.869 119.600 0.132 0.000 2.101 864 M HA 0.514 5.010 4.480 0.027 0.000 0.340 864 M C -1.373 175.031 176.300 0.172 0.000 1.057 864 M CA -0.467 54.875 55.300 0.071 0.000 0.984 864 M CB 0.826 33.497 32.600 0.118 0.000 1.560 864 M HN 0.697 nan 8.290 nan 0.000 0.435 865 A N 7.037 129.919 122.820 0.104 0.000 2.260 865 A HA 0.709 5.045 4.320 0.027 0.000 0.314 865 A C -0.847 176.777 177.584 0.068 0.000 1.257 865 A CA -0.651 51.448 52.037 0.103 0.000 0.871 865 A CB 0.293 19.331 19.000 0.065 0.000 1.166 865 A HN 0.924 nan 8.150 nan 0.000 0.522 866 I N 2.253 122.855 120.570 0.054 0.000 2.378 866 I HA 0.339 4.525 4.170 0.027 0.000 0.291 866 I C -0.060 175.966 176.117 -0.152 0.000 0.992 866 I CA -0.210 61.027 61.300 -0.105 0.000 1.154 866 I CB 2.198 40.171 38.000 -0.046 0.000 1.315 866 I HN 0.501 nan 8.210 nan 0.000 0.448 867 T N 5.663 120.081 114.554 -0.226 0.000 2.823 867 T HA 0.605 4.971 4.350 0.027 0.000 0.279 867 T C -0.421 174.081 174.700 -0.329 0.000 0.998 867 T CA -0.448 61.521 62.100 -0.218 0.000 0.994 867 T CB 1.962 70.792 68.868 -0.063 0.000 0.960 867 T HN 0.223 nan 8.240 nan 0.000 0.448 868 V N 3.479 123.079 119.914 -0.524 0.000 2.577 868 V HA 0.477 4.613 4.120 0.027 0.000 0.303 868 V C -0.931 175.022 176.094 -0.236 0.000 1.042 868 V CA -0.912 61.101 62.300 -0.477 0.000 0.872 868 V CB 2.120 33.399 31.823 -0.907 0.000 0.998 868 V HN 0.850 nan 8.190 nan 0.000 0.423 869 D N 3.376 123.791 120.400 0.026 0.000 2.505 869 D HA 0.490 5.146 4.640 0.027 0.000 0.250 869 D C -0.982 175.446 176.300 0.214 0.000 1.164 869 D CA -0.078 54.027 54.000 0.176 0.000 0.870 869 D CB 2.642 43.556 40.800 0.191 0.000 1.160 869 D HN 0.254 nan 8.370 nan 0.000 0.549 870 V N 2.423 122.503 119.914 0.277 0.000 2.513 870 V HA 0.292 4.428 4.120 0.027 0.000 0.299 870 V C 0.165 176.412 176.094 0.254 0.000 1.035 870 V CA -0.649 61.832 62.300 0.302 0.000 0.889 870 V CB 2.382 34.430 31.823 0.374 0.000 0.988 870 V HN 0.343 nan 8.190 nan 0.000 0.440 871 E N 2.611 122.944 120.200 0.222 0.000 2.183 871 E HA 0.620 4.986 4.350 0.027 0.000 0.271 871 E C -1.504 175.211 176.600 0.192 0.000 0.919 871 E CA -0.561 55.945 56.400 0.176 0.000 0.781 871 E CB 2.511 32.295 29.700 0.140 0.000 1.140 871 E HN 0.405 nan 8.360 nan 0.000 0.402 872 V N 2.279 122.309 119.914 0.193 0.000 2.444 872 V HA 0.347 4.483 4.120 0.027 0.000 0.294 872 V C 0.002 176.184 176.094 0.148 0.000 1.022 872 V CA -0.907 61.526 62.300 0.223 0.000 0.850 872 V CB 1.504 33.501 31.823 0.291 0.000 0.992 872 V HN 0.839 nan 8.190 nan 0.000 0.426 873 A N 3.618 126.479 122.820 0.068 0.000 2.566 873 A HA 0.236 4.572 4.320 0.027 0.000 0.245 873 A C 1.659 179.310 177.584 0.111 0.000 1.056 873 A CA 0.652 52.723 52.037 0.057 0.000 0.757 873 A CB 0.179 19.177 19.000 -0.004 0.000 0.979 873 A HN 1.391 nan 8.150 nan 0.000 0.508 874 S N 1.469 117.234 115.700 0.108 0.000 2.440 874 S HA -0.186 4.300 4.470 0.027 0.000 0.238 874 S C 0.848 175.528 174.600 0.133 0.000 1.010 874 S CA 1.467 59.750 58.200 0.139 0.000 0.972 874 S CB -0.345 62.916 63.200 0.101 0.000 0.774 874 S HN 0.819 nan 8.310 nan 0.000 0.501 875 D N 0.046 120.498 120.400 0.088 0.000 2.349 875 D HA 0.164 4.820 4.640 0.027 0.000 0.214 875 D C 0.600 176.935 176.300 0.058 0.000 1.063 875 D CA 0.064 54.099 54.000 0.058 0.000 0.847 875 D CB -0.439 40.382 40.800 0.036 0.000 0.933 875 D HN 0.328 nan 8.370 nan 0.000 0.513 876 T N 1.346 115.959 114.554 0.098 0.000 2.928 876 T HA 0.399 4.765 4.350 0.027 0.000 0.284 876 T C -2.608 172.196 174.700 0.173 0.000 1.008 876 T CA -2.040 60.141 62.100 0.135 0.000 1.057 876 T CB 1.117 70.085 68.868 0.167 0.000 1.018 876 T HN -0.171 nan 8.240 nan 0.000 0.493 877 P HA 0.086 nan 4.420 nan 0.000 0.265 877 P C -0.656 176.947 177.300 0.505 0.000 1.193 877 P CA 0.097 63.309 63.100 0.188 0.000 0.765 877 P CB -0.118 31.681 31.700 0.166 0.000 0.823 878 H N 3.721 123.152 119.070 0.601 0.000 3.094 878 H HA 0.064 4.636 4.556 0.026 0.000 0.320 878 H C -1.569 174.075 175.328 0.526 0.000 1.000 878 H CA -1.256 55.077 56.048 0.474 0.000 1.413 878 H CB -0.529 29.446 29.762 0.355 0.000 1.405 878 H HN 0.387 nan 8.280 nan 0.000 0.586 879 P HA 0.027 nan 4.420 nan 0.000 0.276 879 P C 0.151 177.335 177.300 -0.194 0.000 1.244 879 P CA -0.351 62.801 63.100 0.087 0.000 0.801 879 P CB 1.161 32.759 31.700 -0.170 0.000 1.006 880 A N 3.038 125.476 122.820 -0.638 0.000 2.019 880 A HA -0.099 4.237 4.320 0.027 0.000 0.219 880 A C 1.021 178.206 177.584 -0.665 0.000 1.164 880 A CA 1.311 52.925 52.037 -0.705 0.000 0.644 880 A CB -0.549 17.785 19.000 -1.109 0.000 0.805 880 A HN 0.752 nan 8.150 nan 0.000 0.449 881 R N -2.870 117.276 120.500 -0.591 0.000 2.728 881 R HA 0.693 5.049 4.340 0.027 0.000 0.274 881 R C -1.725 174.327 176.300 -0.414 0.000 1.032 881 R CA -0.816 54.958 56.100 -0.543 0.000 0.866 881 R CB 0.704 30.637 30.300 -0.612 0.000 1.263 881 R HN -0.007 nan 8.270 nan 0.000 0.475 882 I N 1.266 121.635 120.570 -0.336 0.000 2.521 882 I HA 0.636 4.822 4.170 0.027 0.000 0.277 882 I C -0.330 175.571 176.117 -0.360 0.000 1.054 882 I CA -0.338 60.802 61.300 -0.267 0.000 1.117 882 I CB 1.768 39.676 38.000 -0.153 0.000 1.217 882 I HN 0.943 nan 8.210 nan 0.000 0.469 883 G N 5.689 114.212 108.800 -0.462 0.000 2.706 883 G HA2 0.785 4.761 3.960 0.027 0.000 0.307 883 G HA3 0.785 4.761 3.960 0.027 0.000 0.307 883 G C -1.584 173.130 174.900 -0.310 0.000 1.307 883 G CA -0.593 44.273 45.100 -0.391 0.000 0.790 883 G HN 0.252 nan 8.290 nan 0.000 0.503 884 L N 0.734 121.830 121.223 -0.213 0.000 2.333 884 L HA 0.659 5.015 4.340 0.027 0.000 0.263 884 L C -0.714 176.043 176.870 -0.187 0.000 1.014 884 L CA -1.160 53.583 54.840 -0.161 0.000 0.820 884 L CB 2.488 44.533 42.059 -0.022 0.000 1.352 884 L HN 0.806 nan 8.230 nan 0.000 0.421 885 N N 0.385 119.002 118.700 -0.137 0.000 2.610 885 N HA 0.697 5.453 4.740 0.027 0.000 0.264 885 N C -1.311 174.193 175.510 -0.010 0.000 1.348 885 N CA -0.552 52.445 53.050 -0.087 0.000 0.819 885 N CB 2.375 40.824 38.487 -0.064 0.000 1.521 885 N HN 0.842 nan 8.380 nan 0.000 0.497 886 C N -1.755 117.555 119.300 0.017 0.000 3.312 886 C HA 0.576 5.052 4.460 0.027 0.000 0.332 886 C C -1.011 173.825 174.990 -0.256 0.000 1.340 886 C CA -0.857 58.135 59.018 -0.043 0.000 1.265 886 C CB 1.100 28.837 27.740 -0.005 0.000 1.563 886 C HN 0.844 nan 8.230 nan 0.000 0.471 887 Q N 1.350 120.777 119.800 -0.622 0.000 2.372 887 Q HA 0.630 4.986 4.340 0.027 0.000 0.259 887 Q C -1.086 174.622 176.000 -0.486 0.000 0.993 887 Q CA -0.402 54.775 55.803 -1.042 0.000 0.854 887 Q CB 0.877 28.570 28.738 -1.741 0.000 1.231 887 Q HN 0.783 nan 8.270 nan 0.000 0.462 888 L N 2.703 123.735 121.223 -0.318 0.000 2.371 888 L HA 0.265 4.621 4.340 0.027 0.000 0.272 888 L C 1.145 177.950 176.870 -0.108 0.000 1.124 888 L CA -0.212 54.568 54.840 -0.100 0.000 0.816 888 L CB 0.984 43.086 42.059 0.072 0.000 1.129 888 L HN 0.826 nan 8.230 nan 0.000 0.448 889 A N 2.344 125.129 122.820 -0.059 0.000 2.014 889 A HA -0.100 4.236 4.320 0.027 0.000 0.218 889 A C 1.043 178.617 177.584 -0.017 0.000 1.163 889 A CA 0.580 52.576 52.037 -0.068 0.000 0.652 889 A CB -0.211 18.743 19.000 -0.077 0.000 0.808 889 A HN 0.779 nan 8.150 nan 0.000 0.449 890 Q N -0.224 119.607 119.800 0.051 0.000 2.299 890 Q HA 0.460 4.816 4.340 0.027 0.000 0.246 890 Q C -1.187 174.857 176.000 0.074 0.000 0.935 890 Q CA 0.030 55.852 55.803 0.032 0.000 0.887 890 Q CB 1.145 29.910 28.738 0.044 0.000 1.223 890 Q HN 0.100 nan 8.270 nan 0.000 0.439 891 V N 3.536 123.456 119.914 0.009 0.000 2.349 891 V HA 0.745 4.881 4.120 0.027 0.000 0.284 891 V C -0.489 175.581 176.094 -0.041 0.000 1.014 891 V CA -0.355 61.983 62.300 0.062 0.000 0.826 891 V CB 0.722 32.564 31.823 0.031 0.000 1.009 891 V HN 0.894 nan 8.190 nan 0.000 0.431 892 A N 3.285 126.035 122.820 -0.117 0.000 2.322 892 A HA 0.736 5.071 4.320 0.027 0.000 0.327 892 A C 0.704 178.306 177.584 0.030 0.000 1.134 892 A CA -0.466 51.444 52.037 -0.212 0.000 0.831 892 A CB 1.199 19.835 19.000 -0.608 0.000 1.288 892 A HN 0.781 nan 8.150 nan 0.000 0.472 893 E N -0.187 120.022 120.200 0.015 0.000 2.112 893 E HA -0.014 4.352 4.350 0.027 0.000 0.190 893 E C 0.175 176.847 176.600 0.120 0.000 0.979 893 E CA 0.685 57.123 56.400 0.064 0.000 0.814 893 E CB 0.166 29.886 29.700 0.032 0.000 0.762 893 E HN 0.442 nan 8.360 nan 0.000 0.460 894 R N 0.160 120.741 120.500 0.135 0.000 2.892 894 R HA 0.546 4.902 4.340 0.027 0.000 0.265 894 R C -0.825 175.658 176.300 0.305 0.000 1.025 894 R CA -0.879 55.334 56.100 0.189 0.000 0.982 894 R CB 1.727 32.109 30.300 0.137 0.000 1.185 894 R HN -0.169 nan 8.270 nan 0.000 0.484 895 V N 1.751 121.855 119.914 0.317 0.000 2.577 895 V HA 0.374 4.509 4.120 0.027 0.000 0.303 895 V C -0.444 175.923 176.094 0.454 0.000 1.042 895 V CA -0.910 61.617 62.300 0.378 0.000 0.872 895 V CB 2.014 34.009 31.823 0.286 0.000 0.998 895 V HN 0.667 nan 8.190 nan 0.000 0.423 896 N N 4.419 123.369 118.700 0.416 0.000 2.346 896 N HA 0.532 5.288 4.740 0.027 0.000 0.289 896 N C -1.429 174.344 175.510 0.437 0.000 1.027 896 N CA -0.418 52.847 53.050 0.358 0.000 0.864 896 N CB 2.675 41.265 38.487 0.171 0.000 1.370 896 N HN 0.810 nan 8.380 nan 0.000 0.481 897 W N 3.250 124.594 121.300 0.072 0.000 3.083 897 W HA 0.590 5.266 4.660 0.026 0.000 0.333 897 W C -1.971 174.518 176.519 -0.050 0.000 1.217 897 W CA -1.118 56.246 57.345 0.031 0.000 1.170 897 W CB 0.724 30.231 29.460 0.079 0.000 1.437 897 W HN 0.215 nan 8.180 nan 0.000 0.557 898 L N 4.186 125.381 121.223 -0.047 0.000 2.283 898 L HA 0.890 5.246 4.340 0.027 0.000 0.281 898 L C 0.037 176.756 176.870 -0.252 0.000 1.033 898 L CA 0.386 55.015 54.840 -0.351 0.000 0.848 898 L CB 0.443 42.389 42.059 -0.188 0.000 1.226 898 L HN 0.967 nan 8.230 nan 0.000 0.429 899 G N 3.664 112.168 108.800 -0.494 0.000 2.335 899 G HA2 0.208 4.184 3.960 0.027 0.000 0.291 899 G HA3 0.208 4.184 3.960 0.027 0.000 0.291 899 G C -1.629 173.346 174.900 0.125 0.000 1.261 899 G CA -1.057 44.046 45.100 0.005 0.000 0.871 899 G HN 0.410 nan 8.290 nan 0.000 0.491 900 L N 1.006 122.429 121.223 0.334 0.000 2.380 900 L HA 0.606 4.962 4.340 0.027 0.000 0.273 900 L C 1.082 178.058 176.870 0.177 0.000 1.138 900 L CA 0.807 55.784 54.840 0.229 0.000 0.832 900 L CB 0.656 42.794 42.059 0.132 0.000 1.124 900 L HN 1.178 nan 8.230 nan 0.000 0.454 901 G N 2.795 111.475 108.800 -0.201 0.000 2.341 901 G HA2 0.263 4.239 3.960 0.027 0.000 0.299 901 G HA3 0.263 4.239 3.960 0.027 0.000 0.299 901 G C -2.773 171.337 174.900 -1.317 0.000 1.274 901 G CA -0.295 44.359 45.100 -0.744 0.000 0.853 901 G HN 0.309 nan 8.290 nan 0.000 0.493 902 P HA 0.102 nan 4.420 nan 0.000 0.239 902 P C 0.376 177.490 177.300 -0.310 0.000 1.188 902 P CA 0.533 62.986 63.100 -1.078 0.000 0.794 902 P CB 0.556 31.729 31.700 -0.879 0.000 0.937 903 Q N 0.520 120.134 119.800 -0.310 0.000 2.249 903 Q HA 0.173 4.529 4.340 0.027 0.000 0.226 903 Q C 0.340 176.237 176.000 -0.172 0.000 0.983 903 Q CA -0.702 54.994 55.803 -0.179 0.000 0.930 903 Q CB 0.794 29.443 28.738 -0.149 0.000 1.193 903 Q HN 0.113 nan 8.270 nan 0.000 0.508 904 E N 1.358 121.463 120.200 -0.159 0.000 2.608 904 E HA -0.119 4.247 4.350 0.027 0.000 0.259 904 E C -1.136 175.384 176.600 -0.133 0.000 0.951 904 E CA 0.306 56.596 56.400 -0.183 0.000 0.945 904 E CB 0.221 29.879 29.700 -0.070 0.000 0.916 904 E HN 0.590 nan 8.360 nan 0.000 0.477 905 N N 2.746 121.296 118.700 -0.250 0.000 2.331 905 N HA 0.340 5.096 4.740 0.027 0.000 0.280 905 N C -1.836 173.453 175.510 -0.369 0.000 1.155 905 N CA -0.691 52.264 53.050 -0.159 0.000 0.822 905 N CB 0.783 39.196 38.487 -0.122 0.000 1.619 905 N HN 0.244 nan 8.380 nan 0.000 0.476 906 Y N -0.152 120.043 120.300 -0.174 0.000 2.630 906 Y HA 0.502 5.068 4.550 0.027 0.000 0.337 906 Y C -1.644 174.161 175.900 -0.159 0.000 1.051 906 Y CA -2.079 55.900 58.100 -0.200 0.000 1.121 906 Y CB 1.870 40.205 38.460 -0.208 0.000 1.299 906 Y HN 0.446 nan 8.280 nan 0.000 0.498 907 P HA -0.173 nan 4.420 nan 0.000 0.216 907 P C 0.386 177.487 177.300 -0.331 0.000 1.150 907 P CA 2.135 65.223 63.100 -0.021 0.000 0.843 907 P CB 0.213 32.008 31.700 0.157 0.000 0.787 908 D N -2.366 117.636 120.400 -0.662 0.000 2.340 908 D HA 0.010 4.666 4.640 0.027 0.000 0.217 908 D C 0.729 176.869 176.300 -0.266 0.000 1.081 908 D CA 0.052 53.499 54.000 -0.922 0.000 0.842 908 D CB -0.229 39.792 40.800 -1.298 0.000 0.934 908 D HN 0.123 nan 8.370 nan 0.000 0.511 909 R N 1.074 121.508 120.500 -0.110 0.000 2.638 909 R HA 0.198 4.554 4.340 0.027 0.000 0.261 909 R C -0.516 175.806 176.300 0.038 0.000 1.515 909 R CA -0.172 55.934 56.100 0.010 0.000 1.623 909 R CB 0.028 30.338 30.300 0.018 0.000 1.347 909 R HN 0.098 nan 8.270 nan 0.000 0.705 910 L N -1.915 119.339 121.223 0.051 0.000 3.259 910 L HA 0.350 4.706 4.340 0.027 0.000 0.292 910 L C 1.368 178.295 176.870 0.094 0.000 1.219 910 L CA 0.169 55.040 54.840 0.052 0.000 1.035 910 L CB 0.160 42.237 42.059 0.030 0.000 1.424 910 L HN 0.088 nan 8.230 nan 0.000 0.603 911 T N -2.531 112.110 114.554 0.145 0.000 2.833 911 T HA -0.033 4.333 4.350 0.027 0.000 0.269 911 T C 1.854 176.611 174.700 0.096 0.000 1.054 911 T CA 1.379 63.596 62.100 0.195 0.000 1.135 911 T CB -0.386 68.654 68.868 0.287 0.000 0.869 911 T HN 0.392 nan 8.240 nan 0.000 0.466 912 A N 2.089 124.966 122.820 0.095 0.000 1.930 912 A HA 0.552 4.888 4.320 0.027 0.000 0.217 912 A C 1.748 179.404 177.584 0.119 0.000 1.175 912 A CA 0.793 52.842 52.037 0.019 0.000 0.627 912 A CB -1.192 17.947 19.000 0.232 0.000 0.815 912 A HN 0.894 nan 8.150 nan 0.000 0.443 913 A N -1.161 121.680 122.820 0.035 0.000 2.445 913 A HA 0.417 4.753 4.320 0.027 0.000 0.242 913 A C 0.103 177.699 177.584 0.020 0.000 1.075 913 A CA 0.049 52.064 52.037 -0.036 0.000 0.777 913 A CB -0.243 18.731 19.000 -0.044 0.000 1.013 913 A HN 0.521 nan 8.150 nan 0.000 0.493 914 C N 0.769 120.073 119.300 0.006 0.000 2.529 914 C HA 0.581 5.057 4.460 0.027 0.000 0.329 914 C C -0.137 174.943 174.990 0.151 0.000 1.194 914 C CA -0.486 58.594 59.018 0.104 0.000 1.779 914 C CB 1.003 28.827 27.740 0.140 0.000 2.322 914 C HN 0.801 nan 8.230 nan 0.000 0.500 915 F N 3.342 123.130 119.950 -0.270 0.000 2.424 915 F HA 0.528 5.071 4.527 0.026 0.000 0.356 915 F C 0.265 175.729 175.800 -0.560 0.000 1.110 915 F CA 1.014 58.706 58.000 -0.515 0.000 1.161 915 F CB 0.024 38.199 39.000 -1.376 0.000 1.115 915 F HN 0.608 nan 8.300 nan 0.000 0.507 916 D N 3.203 122.989 120.400 -1.023 0.000 2.879 916 D HA 0.168 4.824 4.640 0.027 0.000 0.346 916 D C -1.645 173.734 176.300 -1.536 0.000 1.390 916 D CA -0.739 52.543 54.000 -1.196 0.000 0.838 916 D CB 1.462 41.543 40.800 -1.198 0.000 1.416 916 D HN 0.500 nan 8.370 nan 0.000 0.493 917 R N 0.728 120.426 120.500 -1.338 0.000 2.202 917 R HA 0.499 4.855 4.340 0.027 0.000 0.334 917 R C -1.310 174.210 176.300 -1.301 0.000 1.036 917 R CA -0.161 55.295 56.100 -1.072 0.000 0.878 917 R CB 0.179 30.118 30.300 -0.602 0.000 1.067 917 R HN 0.268 nan 8.270 nan 0.000 0.457 918 W N 2.744 123.538 121.300 -0.843 0.000 2.639 918 W HA 0.402 5.078 4.660 0.027 0.000 0.347 918 W C -0.471 175.687 176.519 -0.601 0.000 1.067 918 W CA -0.702 56.088 57.345 -0.925 0.000 1.218 918 W CB 1.701 30.096 29.460 -1.774 0.000 1.393 918 W HN 0.385 nan 8.180 nan 0.000 0.557 919 D N 2.920 123.290 120.400 -0.051 0.000 2.478 919 D HA 0.453 5.109 4.640 0.027 0.000 0.240 919 D C -1.393 175.015 176.300 0.179 0.000 1.364 919 D CA -0.096 53.961 54.000 0.094 0.000 0.987 919 D CB 0.858 41.672 40.800 0.023 0.000 1.328 919 D HN 0.386 nan 8.370 nan 0.000 0.584 920 L N 2.741 124.141 121.223 0.296 0.000 2.341 920 L HA 0.595 4.951 4.340 0.027 0.000 0.254 920 L C -2.309 174.679 176.870 0.196 0.000 1.040 920 L CA -2.236 52.740 54.840 0.226 0.000 0.837 920 L CB 2.640 44.860 42.059 0.269 0.000 1.425 920 L HN 0.173 nan 8.230 nan 0.000 0.414 921 P HA 0.031 nan 4.420 nan 0.000 0.271 921 P C 0.509 177.888 177.300 0.132 0.000 1.218 921 P CA -0.320 62.853 63.100 0.121 0.000 0.780 921 P CB 0.905 32.657 31.700 0.086 0.000 0.901 922 L N 3.663 124.969 121.223 0.138 0.000 2.043 922 L HA -0.249 4.107 4.340 0.027 0.000 0.212 922 L C 2.253 179.174 176.870 0.086 0.000 1.075 922 L CA 2.781 57.693 54.840 0.120 0.000 0.752 922 L CB -1.573 40.571 42.059 0.142 0.000 0.891 922 L HN 0.465 nan 8.230 nan 0.000 0.432 923 S N -1.854 113.900 115.700 0.089 0.000 2.442 923 S HA -0.172 4.314 4.470 0.027 0.000 0.236 923 S C 1.560 176.235 174.600 0.124 0.000 1.007 923 S CA 1.157 59.425 58.200 0.113 0.000 0.965 923 S CB -0.763 62.498 63.200 0.102 0.000 0.773 923 S HN 0.542 nan 8.310 nan 0.000 0.504 924 D N 0.884 121.334 120.400 0.083 0.000 2.363 924 D HA 0.140 4.796 4.640 0.027 0.000 0.220 924 D C 1.092 177.404 176.300 0.019 0.000 0.994 924 D CA 0.508 54.536 54.000 0.047 0.000 0.890 924 D CB -0.072 40.760 40.800 0.055 0.000 0.906 924 D HN 0.374 nan 8.370 nan 0.000 0.530 925 M N -0.402 119.217 119.600 0.031 0.000 2.494 925 M HA 0.071 4.567 4.480 0.027 0.000 0.232 925 M C -0.171 176.136 176.300 0.012 0.000 1.137 925 M CA -0.093 55.178 55.300 -0.049 0.000 1.012 925 M CB -0.700 31.866 32.600 -0.058 0.000 1.567 925 M HN -0.047 nan 8.290 nan 0.000 0.486 926 Y N 0.190 120.458 120.300 -0.055 0.000 2.341 926 Y HA 0.473 5.039 4.550 0.027 0.000 0.338 926 Y C -0.673 175.199 175.900 -0.046 0.000 0.965 926 Y CA -0.865 57.226 58.100 -0.014 0.000 1.108 926 Y CB 1.167 39.679 38.460 0.087 0.000 1.180 926 Y HN -0.133 nan 8.280 nan 0.000 0.458 927 T N 9.511 123.710 114.554 -0.593 0.000 2.743 927 T HA 0.267 4.633 4.350 0.027 0.000 0.292 927 T C -2.616 171.410 174.700 -1.122 0.000 0.972 927 T CA -1.439 60.217 62.100 -0.740 0.000 0.967 927 T CB 0.930 69.403 68.868 -0.659 0.000 0.926 927 T HN 0.468 nan 8.240 nan 0.000 0.459 928 P HA 0.127 nan 4.420 nan 0.000 0.220 928 P C -0.590 176.656 177.300 -0.089 0.000 1.806 928 P CA -0.456 62.246 63.100 -0.663 0.000 0.976 928 P CB -0.693 30.762 31.700 -0.409 0.000 1.952 929 Y N -0.239 120.094 120.300 0.056 0.000 2.811 929 Y HA -0.119 4.447 4.550 0.027 0.000 0.334 929 Y C 2.302 178.315 175.900 0.189 0.000 1.247 929 Y CA -0.430 57.770 58.100 0.167 0.000 1.526 929 Y CB 0.456 38.895 38.460 -0.035 0.000 1.284 929 Y HN -0.066 nan 8.280 nan 0.000 0.586 930 V N 3.413 123.601 119.914 0.456 0.000 2.332 930 V HA -0.304 3.832 4.120 0.027 0.000 0.248 930 V C 0.540 176.821 176.094 0.311 0.000 1.055 930 V CA 1.428 63.952 62.300 0.372 0.000 1.038 930 V CB -0.545 31.524 31.823 0.410 0.000 0.651 930 V HN 0.592 nan 8.190 nan 0.000 0.450 931 F N 3.312 123.303 119.950 0.069 0.000 2.371 931 F HA 0.516 5.059 4.527 0.027 0.000 0.363 931 F C -2.453 173.346 175.800 -0.002 0.000 1.122 931 F CA -3.462 54.513 58.000 -0.043 0.000 1.129 931 F CB 0.671 39.509 39.000 -0.270 0.000 1.173 931 F HN -0.003 nan 8.300 nan 0.000 0.489 932 P HA 0.278 nan 4.420 nan 0.000 0.271 932 P C -1.047 175.927 177.300 -0.542 0.000 1.218 932 P CA 0.006 62.865 63.100 -0.402 0.000 0.780 932 P CB 1.280 32.788 31.700 -0.320 0.000 0.901 933 S N -0.394 115.183 115.700 -0.205 0.000 2.703 933 S HA 0.436 4.922 4.470 0.027 0.000 0.273 933 S C -0.864 173.718 174.600 -0.031 0.000 1.178 933 S CA -0.961 57.152 58.200 -0.145 0.000 0.838 933 S CB 0.359 63.493 63.200 -0.110 0.000 1.178 933 S HN 0.356 nan 8.310 nan 0.000 0.494 934 E N 1.171 121.364 120.200 -0.012 0.000 2.502 934 E HA 0.366 4.732 4.350 0.027 0.000 0.261 934 E C -0.196 176.455 176.600 0.086 0.000 0.974 934 E CA 0.722 57.148 56.400 0.044 0.000 0.936 934 E CB -0.211 29.541 29.700 0.086 0.000 0.926 934 E HN 0.785 nan 8.360 nan 0.000 0.459 935 N N 1.486 120.278 118.700 0.153 0.000 2.927 935 N HA 0.491 5.247 4.740 0.027 0.000 0.248 935 N C 0.140 175.724 175.510 0.123 0.000 1.443 935 N CA -0.592 52.593 53.050 0.227 0.000 0.870 935 N CB 0.994 39.626 38.487 0.241 0.000 1.444 935 N HN 0.729 nan 8.380 nan 0.000 0.519 936 G N -1.281 107.559 108.800 0.066 0.000 2.168 936 G HA2 -0.264 3.712 3.960 0.027 0.000 0.263 936 G HA3 -0.264 3.712 3.960 0.027 0.000 0.263 936 G C -0.265 174.386 174.900 -0.414 0.000 0.977 936 G CA 0.441 45.452 45.100 -0.148 0.000 0.659 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 0.006 120.895 121.223 -0.557 0.000 2.483 937 L HA 0.672 5.028 4.340 0.027 0.000 0.276 937 L C 0.678 176.963 176.870 -0.975 0.000 1.213 937 L CA 0.349 54.611 54.840 -0.964 0.000 0.843 937 L CB 0.557 41.639 42.059 -1.629 0.000 1.107 937 L HN 0.259 nan 8.230 nan 0.000 0.487 938 R N 2.461 122.298 120.500 -1.104 0.000 2.513 938 R HA 0.506 4.862 4.340 0.027 0.000 0.301 938 R C -0.935 175.010 176.300 -0.592 0.000 0.968 938 R CA -0.278 55.310 56.100 -0.852 0.000 0.872 938 R CB 1.387 31.066 30.300 -1.035 0.000 1.177 938 R HN 0.686 nan 8.270 nan 0.000 0.444 939 C N 0.335 119.440 119.300 -0.326 0.000 2.380 939 C HA 0.711 5.187 4.460 0.027 0.000 0.393 939 C C 1.324 176.299 174.990 -0.025 0.000 1.284 939 C CA -0.049 58.860 59.018 -0.181 0.000 2.033 939 C CB 1.289 28.945 27.740 -0.141 0.000 2.165 939 C HN 1.030 nan 8.230 nan 0.000 0.540 940 G N 1.718 110.513 108.800 -0.009 0.000 2.341 940 G HA2 -0.190 3.785 3.960 0.027 0.000 0.292 940 G HA3 -0.190 3.785 3.960 0.027 0.000 0.292 940 G C -0.042 174.930 174.900 0.119 0.000 1.021 940 G CA 0.616 45.759 45.100 0.072 0.000 0.905 940 G HN 0.804 nan 8.290 nan 0.000 0.508 941 T N 0.118 114.616 114.554 -0.094 0.000 2.771 941 T HA 0.490 4.856 4.350 0.027 0.000 0.291 941 T C 1.365 175.747 174.700 -0.530 0.000 0.954 941 T CA -0.574 61.404 62.100 -0.202 0.000 1.045 941 T CB 1.330 70.111 68.868 -0.145 0.000 0.917 941 T HN 0.240 nan 8.240 nan 0.000 0.484 942 R N 1.614 122.046 120.500 -0.113 0.000 2.282 942 R HA 0.279 4.635 4.340 0.027 0.000 0.195 942 R C 0.527 176.869 176.300 0.071 0.000 0.909 942 R CA 0.188 56.276 56.100 -0.021 0.000 1.039 942 R CB 0.425 30.841 30.300 0.193 0.000 1.015 942 R HN 0.706 nan 8.270 nan 0.000 0.513 943 E N 0.512 120.766 120.200 0.091 0.000 2.335 943 E HA 0.321 4.686 4.350 0.027 0.000 0.280 943 E C -1.891 174.871 176.600 0.269 0.000 0.918 943 E CA -0.649 55.890 56.400 0.232 0.000 0.765 943 E CB 1.511 31.307 29.700 0.160 0.000 1.218 943 E HN -0.083 nan 8.360 nan 0.000 0.425 944 L N 4.037 125.477 121.223 0.361 0.000 2.410 944 L HA 0.605 4.961 4.340 0.027 0.000 0.270 944 L C -1.866 175.210 176.870 0.342 0.000 0.983 944 L CA -0.392 54.599 54.840 0.252 0.000 0.822 944 L CB 1.799 43.867 42.059 0.015 0.000 1.285 944 L HN 0.484 nan 8.230 nan 0.000 0.409 945 N N 4.352 123.223 118.700 0.284 0.000 2.314 945 N HA 0.450 5.206 4.740 0.027 0.000 0.294 945 N C -2.004 173.732 175.510 0.376 0.000 1.029 945 N CA -0.262 52.942 53.050 0.258 0.000 0.845 945 N CB 2.290 40.874 38.487 0.162 0.000 1.321 945 N HN 0.617 nan 8.380 nan 0.000 0.481 946 Y N 1.056 121.485 120.300 0.214 0.000 2.313 946 Y HA 0.391 4.957 4.550 0.027 0.000 0.320 946 Y C 0.546 176.549 175.900 0.173 0.000 1.171 946 Y CA 0.161 58.398 58.100 0.229 0.000 1.093 946 Y CB 0.499 39.169 38.460 0.349 0.000 1.224 946 Y HN 0.848 nan 8.280 nan 0.000 0.421 947 G N 6.318 114.938 108.800 -0.301 0.000 2.574 947 G HA2 -0.299 3.677 3.960 0.027 0.000 0.286 947 G HA3 -0.299 3.677 3.960 0.027 0.000 0.286 947 G C -1.871 172.891 174.900 -0.229 0.000 1.212 947 G CA 0.103 45.008 45.100 -0.326 0.000 0.979 947 G HN 0.576 nan 8.290 nan 0.000 0.557 948 P HA 0.205 nan 4.420 nan 0.000 0.255 948 P C 0.152 177.221 177.300 -0.385 0.000 1.248 948 P CA 0.541 63.428 63.100 -0.355 0.000 0.807 948 P CB 0.009 31.436 31.700 -0.455 0.000 1.150 949 H N 0.330 119.311 119.070 -0.148 0.000 2.472 949 H HA 0.456 5.028 4.556 0.027 0.000 0.335 949 H C -0.128 174.883 175.328 -0.528 0.000 1.136 949 H CA -0.107 55.717 56.048 -0.373 0.000 1.264 949 H CB 1.738 31.070 29.762 -0.718 0.000 1.486 949 H HN 0.055 nan 8.280 nan 0.000 0.517 950 Q N 2.587 122.111 119.800 -0.460 0.000 2.304 950 Q HA 0.231 4.587 4.340 0.027 0.000 0.270 950 Q C -1.564 174.187 176.000 -0.416 0.000 1.035 950 Q CA -0.705 54.916 55.803 -0.302 0.000 0.781 950 Q CB 1.906 30.618 28.738 -0.044 0.000 1.261 950 Q HN 0.586 nan 8.270 nan 0.000 0.444 951 W N 4.502 125.777 121.300 -0.041 0.000 2.532 951 W HA 0.554 5.230 4.660 0.027 0.000 0.321 951 W C -0.121 176.482 176.519 0.140 0.000 1.037 951 W CA -0.746 56.536 57.345 -0.104 0.000 1.220 951 W CB 1.648 30.825 29.460 -0.472 0.000 1.361 951 W HN 0.476 nan 8.180 nan 0.000 0.468 952 R N 0.839 121.575 120.500 0.394 0.000 2.803 952 R HA 0.820 5.176 4.340 0.027 0.000 0.276 952 R C 0.259 176.853 176.300 0.490 0.000 0.978 952 R CA -0.500 55.861 56.100 0.436 0.000 0.939 952 R CB 2.337 32.796 30.300 0.266 0.000 1.179 952 R HN 0.744 nan 8.270 nan 0.000 0.472 953 G N 0.552 109.632 108.800 0.466 0.000 2.534 953 G HA2 -0.020 3.956 3.960 0.027 0.000 0.142 953 G HA3 -0.020 3.956 3.960 0.027 0.000 0.142 953 G C -1.793 173.255 174.900 0.246 0.000 1.178 953 G CA -0.342 44.995 45.100 0.395 0.000 1.037 953 G HN 0.509 nan 8.290 nan 0.000 0.474 954 D N 0.039 120.584 120.400 0.243 0.000 2.381 954 D HA 0.587 5.243 4.640 0.027 0.000 0.245 954 D C -0.617 175.694 176.300 0.019 0.000 1.297 954 D CA -0.512 53.501 54.000 0.022 0.000 0.931 954 D CB 0.147 40.988 40.800 0.068 0.000 1.334 954 D HN 0.568 nan 8.370 nan 0.000 0.535 955 F N -0.181 119.763 119.950 -0.009 0.000 2.790 955 F HA 0.754 5.297 4.527 0.027 0.000 0.337 955 F C -1.010 174.745 175.800 -0.075 0.000 1.163 955 F CA -1.009 56.921 58.000 -0.116 0.000 0.997 955 F CB 0.712 39.644 39.000 -0.113 0.000 1.437 955 F HN -0.139 nan 8.300 nan 0.000 0.512 956 Q N 1.449 121.333 119.800 0.140 0.000 2.345 956 Q HA 0.629 4.985 4.340 0.027 0.000 0.268 956 Q C -1.295 174.776 176.000 0.118 0.000 1.054 956 Q CA -0.522 55.273 55.803 -0.013 0.000 0.835 956 Q CB 2.674 31.291 28.738 -0.201 0.000 1.339 956 Q HN 0.856 nan 8.270 nan 0.000 0.447 957 F N -1.003 118.831 119.950 -0.194 0.000 2.668 957 F HA 0.759 5.302 4.527 0.027 0.000 0.309 957 F C -1.496 174.085 175.800 -0.364 0.000 1.117 957 F CA -1.072 56.771 58.000 -0.261 0.000 0.951 957 F CB 1.637 40.507 39.000 -0.217 0.000 1.323 957 F HN 0.565 nan 8.300 nan 0.000 0.451 958 N N 1.684 120.209 118.700 -0.292 0.000 2.284 958 N HA 0.728 5.484 4.740 0.027 0.000 0.289 958 N C -2.117 173.332 175.510 -0.101 0.000 1.179 958 N CA -0.755 52.090 53.050 -0.341 0.000 0.774 958 N CB 2.637 40.937 38.487 -0.311 0.000 1.548 958 N HN 1.119 nan 8.380 nan 0.000 0.473 959 I N 0.465 120.969 120.570 -0.110 0.000 2.610 959 I HA 0.686 4.872 4.170 0.027 0.000 0.289 959 I C -1.364 174.667 176.117 -0.143 0.000 1.163 959 I CA 0.056 61.259 61.300 -0.162 0.000 1.044 959 I CB 1.312 39.161 38.000 -0.251 0.000 1.251 959 I HN 1.057 nan 8.210 nan 0.000 0.424 960 S N 6.238 121.860 115.700 -0.129 0.000 2.683 960 S HA 0.513 4.999 4.470 0.027 0.000 0.269 960 S C -0.250 174.225 174.600 -0.208 0.000 1.165 960 S CA -0.960 57.148 58.200 -0.154 0.000 0.840 960 S CB 1.613 64.776 63.200 -0.061 0.000 1.169 960 S HN 0.614 nan 8.310 nan 0.000 0.490 961 R N -0.170 120.017 120.500 -0.523 0.000 2.334 961 R HA 0.279 4.635 4.340 0.027 0.000 0.220 961 R C -0.866 175.071 176.300 -0.606 0.000 0.917 961 R CA 0.285 56.052 56.100 -0.556 0.000 1.073 961 R CB -0.880 28.994 30.300 -0.710 0.000 1.056 961 R HN 0.662 nan 8.270 nan 0.000 0.506 962 Y N 0.250 120.508 120.300 -0.070 0.000 2.376 962 Y HA 0.215 4.781 4.550 0.027 0.000 0.340 962 Y C 0.725 176.396 175.900 -0.383 0.000 0.965 962 Y CA -1.129 56.843 58.100 -0.213 0.000 1.078 962 Y CB 1.495 39.774 38.460 -0.301 0.000 1.193 962 Y HN -0.099 nan 8.280 nan 0.000 0.452 963 S N 1.457 116.769 115.700 -0.646 0.000 2.600 963 S HA 0.057 4.543 4.470 0.027 0.000 0.265 963 S C 0.884 175.135 174.600 -0.581 0.000 1.325 963 S CA -0.806 56.646 58.200 -1.248 0.000 1.002 963 S CB 1.133 63.421 63.200 -1.520 0.000 0.921 963 S HN 0.718 nan 8.310 nan 0.000 0.554 964 Q N 0.651 120.132 119.800 -0.531 0.000 2.135 964 Q HA -0.210 4.146 4.340 0.027 0.000 0.204 964 Q C 2.228 178.078 176.000 -0.250 0.000 0.981 964 Q CA 1.844 57.474 55.803 -0.289 0.000 0.856 964 Q CB -0.575 28.028 28.738 -0.224 0.000 0.902 964 Q HN 0.953 nan 8.270 nan 0.000 0.425 965 Q N 0.654 120.270 119.800 -0.307 0.000 2.061 965 Q HA -0.241 4.115 4.340 0.027 0.000 0.204 965 Q C 2.161 178.057 176.000 -0.173 0.000 0.984 965 Q CA 1.759 57.445 55.803 -0.196 0.000 0.846 965 Q CB -0.013 28.616 28.738 -0.183 0.000 0.902 965 Q HN 0.413 nan 8.270 nan 0.000 0.421 966 Q N -0.018 119.653 119.800 -0.215 0.000 2.084 966 Q HA -0.183 4.173 4.340 0.027 0.000 0.202 966 Q C 2.195 178.077 176.000 -0.198 0.000 0.978 966 Q CA 1.436 57.130 55.803 -0.181 0.000 0.844 966 Q CB -0.110 28.500 28.738 -0.214 0.000 0.898 966 Q HN 0.486 nan 8.270 nan 0.000 0.426 967 L N 0.493 121.588 121.223 -0.213 0.000 2.042 967 L HA -0.219 4.137 4.340 0.027 0.000 0.210 967 L C 2.718 179.453 176.870 -0.225 0.000 1.076 967 L CA 1.580 56.288 54.840 -0.221 0.000 0.749 967 L CB -0.472 41.488 42.059 -0.166 0.000 0.893 967 L HN 0.501 nan 8.230 nan 0.000 0.432 968 M N -1.516 117.982 119.600 -0.169 0.000 2.419 968 M HA -0.069 4.427 4.480 0.027 0.000 0.264 968 M C 1.265 177.494 176.300 -0.119 0.000 1.082 968 M CA 1.562 56.777 55.300 -0.141 0.000 1.119 968 M CB -0.164 32.372 32.600 -0.107 0.000 1.398 968 M HN 0.098 nan 8.290 nan 0.000 0.453 969 E N 0.838 120.969 120.200 -0.114 0.000 2.474 969 E HA 0.130 4.496 4.350 0.027 0.000 0.195 969 E C -0.435 176.123 176.600 -0.069 0.000 1.039 969 E CA 0.024 56.382 56.400 -0.071 0.000 0.881 969 E CB 0.648 30.316 29.700 -0.054 0.000 0.970 969 E HN 0.380 nan 8.360 nan 0.000 0.486 970 T N 0.384 114.862 114.554 -0.125 0.000 2.779 970 T HA 0.110 4.476 4.350 0.027 0.000 0.280 970 T C 0.913 175.534 174.700 -0.132 0.000 0.987 970 T CA -0.494 61.534 62.100 -0.119 0.000 0.966 970 T CB 1.615 70.380 68.868 -0.172 0.000 0.933 970 T HN 0.021 nan 8.240 nan 0.000 0.442 971 S N 1.794 117.512 115.700 0.032 0.000 2.548 971 S HA 0.130 4.616 4.470 0.027 0.000 0.215 971 S C 0.177 174.894 174.600 0.196 0.000 0.976 971 S CA 0.058 58.360 58.200 0.170 0.000 0.908 971 S CB -0.187 63.256 63.200 0.404 0.000 0.781 971 S HN 0.727 nan 8.310 nan 0.000 0.519 972 H N 0.780 119.874 119.070 0.040 0.000 2.759 972 H HA 0.470 5.042 4.556 0.027 0.000 0.354 972 H C 0.908 176.215 175.328 -0.035 0.000 1.074 972 H CA -0.790 55.327 56.048 0.116 0.000 1.226 972 H CB 1.506 31.315 29.762 0.078 0.000 1.648 972 H HN 0.124 nan 8.280 nan 0.000 0.529 973 R N 2.118 122.736 120.500 0.197 0.000 2.127 973 R HA -0.181 4.175 4.340 0.027 0.000 0.238 973 R C 1.163 177.494 176.300 0.051 0.000 1.134 973 R CA 1.915 58.065 56.100 0.084 0.000 0.975 973 R CB -0.434 29.960 30.300 0.157 0.000 0.865 973 R HN 0.774 nan 8.270 nan 0.000 0.447 974 H N 0.908 119.996 119.070 0.030 0.000 2.545 974 H HA 0.021 4.593 4.556 0.027 0.000 0.282 974 H C 1.396 176.655 175.328 -0.115 0.000 1.020 974 H CA 0.749 56.772 56.048 -0.042 0.000 1.243 974 H CB -0.132 29.595 29.762 -0.059 0.000 1.377 974 H HN 0.322 nan 8.280 nan 0.000 0.581 975 L N 0.970 121.847 121.223 -0.576 0.000 2.607 975 L HA 0.226 4.582 4.340 0.027 0.000 0.228 975 L C 0.604 177.345 176.870 -0.215 0.000 1.123 975 L CA -0.186 54.376 54.840 -0.464 0.000 0.890 975 L CB 0.159 41.906 42.059 -0.520 0.000 1.103 975 L HN 0.051 nan 8.230 nan 0.000 0.468 976 L N 0.806 121.898 121.223 -0.219 0.000 2.452 976 L HA 0.141 4.497 4.340 0.027 0.000 0.267 976 L C 0.174 177.008 176.870 -0.060 0.000 1.188 976 L CA -0.060 54.621 54.840 -0.265 0.000 0.821 976 L CB 0.384 42.073 42.059 -0.617 0.000 1.102 976 L HN 0.211 nan 8.230 nan 0.000 0.470 977 H N 1.597 120.683 119.070 0.026 0.000 2.667 977 H HA 0.549 5.121 4.556 0.027 0.000 0.353 977 H C -0.865 174.597 175.328 0.222 0.000 1.072 977 H CA -1.202 54.909 56.048 0.104 0.000 1.214 977 H CB 1.287 31.069 29.762 0.032 0.000 1.600 977 H HN 0.681 nan 8.280 nan 0.000 0.527 978 A N 4.035 126.970 122.820 0.192 0.000 2.548 978 A HA 0.084 4.420 4.320 0.027 0.000 0.247 978 A C 0.378 178.007 177.584 0.076 0.000 1.067 978 A CA -0.109 51.903 52.037 -0.041 0.000 0.757 978 A CB -0.073 18.870 19.000 -0.096 0.000 0.996 978 A HN 0.846 nan 8.150 nan 0.000 0.504 979 E N 1.157 121.359 120.200 0.004 0.000 2.322 979 E HA 0.216 4.582 4.350 0.027 0.000 0.257 979 E C 0.030 176.666 176.600 0.060 0.000 1.155 979 E CA -0.687 55.800 56.400 0.144 0.000 0.936 979 E CB 0.687 30.549 29.700 0.271 0.000 1.130 979 E HN 0.802 nan 8.360 nan 0.000 0.465 980 E N 0.160 120.392 120.200 0.052 0.000 2.373 980 E HA 0.235 4.601 4.350 0.027 0.000 0.267 980 E C 0.294 176.842 176.600 -0.086 0.000 1.032 980 E CA 0.460 56.851 56.400 -0.015 0.000 0.889 980 E CB 0.425 30.116 29.700 -0.015 0.000 0.984 980 E HN 0.658 nan 8.360 nan 0.000 0.425 981 G N 2.538 111.293 108.800 -0.075 0.000 2.697 981 G HA2 -0.229 3.747 3.960 0.027 0.000 0.240 981 G HA3 -0.229 3.747 3.960 0.027 0.000 0.240 981 G C -0.633 174.193 174.900 -0.123 0.000 1.346 981 G CA -0.136 44.902 45.100 -0.103 0.000 0.887 981 G HN 0.616 nan 8.290 nan 0.000 0.569 982 T N 0.298 114.766 114.554 -0.143 0.000 2.841 982 T HA 0.498 4.864 4.350 0.027 0.000 0.285 982 T C -0.652 173.902 174.700 -0.243 0.000 0.991 982 T CA -0.144 61.879 62.100 -0.128 0.000 0.966 982 T CB 1.263 70.151 68.868 0.033 0.000 0.962 982 T HN 0.553 nan 8.240 nan 0.000 0.438 983 W N 3.252 124.451 121.300 -0.167 0.000 2.322 983 W HA 0.581 5.257 4.660 0.027 0.000 0.307 983 W C -0.255 176.127 176.519 -0.229 0.000 1.220 983 W CA -0.714 56.531 57.345 -0.167 0.000 1.210 983 W CB 0.743 30.114 29.460 -0.148 0.000 1.223 983 W HN 0.370 nan 8.180 nan 0.000 0.511 984 L N 5.787 126.988 121.223 -0.036 0.000 2.325 984 L HA 0.497 4.852 4.340 0.027 0.000 0.281 984 L C -0.952 175.801 176.870 -0.195 0.000 1.004 984 L CA -0.509 54.189 54.840 -0.236 0.000 0.823 984 L CB 0.762 42.522 42.059 -0.498 0.000 1.236 984 L HN 0.313 nan 8.230 nan 0.000 0.415 985 N N 7.097 125.679 118.700 -0.196 0.000 2.446 985 N HA 0.462 5.218 4.740 0.027 0.000 0.265 985 N C -1.159 174.199 175.510 -0.253 0.000 0.975 985 N CA -0.244 52.689 53.050 -0.194 0.000 0.928 985 N CB 2.192 40.594 38.487 -0.143 0.000 1.160 985 N HN 0.549 nan 8.380 nan 0.000 0.495 986 I N 1.894 122.266 120.570 -0.329 0.000 2.382 986 I HA 0.241 4.427 4.170 0.027 0.000 0.286 986 I C -0.657 175.268 176.117 -0.319 0.000 1.002 986 I CA -0.583 60.489 61.300 -0.380 0.000 1.135 986 I CB 1.663 39.262 38.000 -0.669 0.000 1.288 986 I HN 0.163 nan 8.210 nan 0.000 0.448 987 D N 4.454 124.703 120.400 -0.252 0.000 2.192 987 D HA 0.294 4.950 4.640 0.027 0.000 0.246 987 D C 0.997 176.978 176.300 -0.531 0.000 1.042 987 D CA -0.243 53.544 54.000 -0.356 0.000 0.847 987 D CB 2.531 43.225 40.800 -0.177 0.000 1.186 987 D HN 0.696 nan 8.370 nan 0.000 0.461 988 G N 1.032 109.198 108.800 -1.057 0.000 2.421 988 G HA2 -0.010 3.966 3.960 0.027 0.000 0.217 988 G HA3 -0.010 3.966 3.960 0.027 0.000 0.217 988 G C 0.102 174.220 174.900 -1.304 0.000 1.143 988 G CA 0.561 44.898 45.100 -1.272 0.000 0.784 988 G HN 0.365 nan 8.290 nan 0.000 0.541 989 F N -2.137 117.605 119.950 -0.346 0.000 2.601 989 F HA 0.616 5.158 4.527 0.026 0.000 0.309 989 F C -0.523 175.172 175.800 -0.176 0.000 1.089 989 F CA -1.185 56.696 58.000 -0.199 0.000 0.940 989 F CB 2.149 40.970 39.000 -0.298 0.000 1.273 989 F HN 0.018 nan 8.300 nan 0.000 0.450 990 H N 1.652 120.721 119.070 -0.001 0.000 2.865 990 H HA 0.516 5.088 4.556 0.026 0.000 0.362 990 H C -0.835 174.506 175.328 0.021 0.000 1.114 990 H CA -0.871 55.149 56.048 -0.046 0.000 1.208 990 H CB 1.849 31.561 29.762 -0.083 0.000 1.727 990 H HN 0.775 nan 8.280 nan 0.000 0.534 991 M N 3.355 122.912 119.600 -0.073 0.000 2.240 991 M HA 0.298 4.794 4.480 0.027 0.000 0.333 991 M C 0.465 176.862 176.300 0.162 0.000 1.110 991 M CA 0.297 55.614 55.300 0.028 0.000 1.173 991 M CB 0.400 32.920 32.600 -0.134 0.000 1.458 991 M HN 0.824 nan 8.290 nan 0.000 0.458 992 G N 2.589 111.457 108.800 0.112 0.000 2.699 992 G HA2 0.297 4.273 3.960 0.027 0.000 0.246 992 G HA3 0.297 4.273 3.960 0.027 0.000 0.246 992 G C 0.568 175.439 174.900 -0.049 0.000 1.219 992 G CA -0.400 44.695 45.100 -0.009 0.000 0.866 992 G HN 0.974 nan 8.290 nan 0.000 0.572 993 I N -1.641 118.852 120.570 -0.128 0.000 3.645 993 I HA 0.413 4.599 4.170 0.027 0.000 0.300 993 I C 1.217 177.255 176.117 -0.132 0.000 1.260 993 I CA 0.409 61.594 61.300 -0.190 0.000 1.365 993 I CB -0.535 37.237 38.000 -0.379 0.000 1.077 993 I HN 0.927 nan 8.210 nan 0.000 0.439 994 G N 1.689 110.438 108.800 -0.085 0.000 2.645 994 G HA2 0.017 3.993 3.960 0.027 0.000 0.246 994 G HA3 0.017 3.993 3.960 0.027 0.000 0.246 994 G C 0.579 175.465 174.900 -0.023 0.000 1.322 994 G CA 0.169 45.257 45.100 -0.020 0.000 0.898 994 G HN 1.387 nan 8.290 nan 0.000 0.573 995 G N -2.395 106.406 108.800 0.002 0.000 2.370 995 G HA2 0.014 3.990 3.960 0.027 0.000 0.174 995 G HA3 0.014 3.990 3.960 0.027 0.000 0.174 995 G C 0.635 175.581 174.900 0.078 0.000 1.002 995 G CA 0.934 46.043 45.100 0.015 0.000 0.730 995 G HN 0.956 nan 8.290 nan 0.000 0.497 996 D N 1.184 121.650 120.400 0.110 0.000 2.190 996 D HA 0.090 4.745 4.640 0.027 0.000 0.200 996 D C 1.034 177.367 176.300 0.056 0.000 0.992 996 D CA 2.131 56.262 54.000 0.218 0.000 0.854 996 D CB 0.154 41.094 40.800 0.233 0.000 0.936 996 D HN 0.803 nan 8.370 nan 0.000 0.462 997 D N -3.286 116.933 120.400 -0.301 0.000 2.615 997 D HA 0.323 4.979 4.640 0.027 0.000 0.267 997 D C -0.843 174.922 176.300 -0.892 0.000 1.236 997 D CA -0.743 52.633 54.000 -1.040 0.000 0.839 997 D CB 0.956 40.667 40.800 -1.816 0.000 1.380 997 D HN -0.297 nan 8.370 nan 0.000 0.433 998 S N -0.415 114.585 115.700 -1.166 0.000 2.711 998 S HA 0.252 4.738 4.470 0.027 0.000 0.247 998 S C -0.519 174.111 174.600 0.049 0.000 1.079 998 S CA -0.644 57.385 58.200 -0.286 0.000 1.050 998 S CB -0.528 62.729 63.200 0.094 0.000 0.885 998 S HN 0.639 nan 8.310 nan 0.000 0.498 999 W N 0.722 121.959 121.300 -0.106 0.000 2.355 999 W HA 0.493 5.168 4.660 0.025 0.000 0.303 999 W C 0.049 176.516 176.519 -0.086 0.000 0.939 999 W CA -0.262 57.023 57.345 -0.101 0.000 1.377 999 W CB -0.377 28.952 29.460 -0.218 0.000 1.048 999 W HN 0.186 nan 8.180 nan 0.000 0.542 1000 S N -0.648 114.925 115.700 -0.213 0.000 2.564 1000 S HA 0.632 5.118 4.470 0.027 0.000 0.274 1000 S C -3.019 171.521 174.600 -0.100 0.000 1.124 1000 S CA -1.762 56.377 58.200 -0.102 0.000 0.869 1000 S CB 1.758 64.924 63.200 -0.057 0.000 1.105 1000 S HN -0.255 nan 8.310 nan 0.000 0.472 1001 P HA 0.107 nan 4.420 nan 0.000 0.260 1001 P C 0.381 177.726 177.300 0.074 0.000 1.172 1001 P CA 0.209 63.324 63.100 0.025 0.000 0.760 1001 P CB 0.454 32.052 31.700 -0.170 0.000 0.773 1002 S N 0.739 116.519 115.700 0.135 0.000 2.780 1002 S HA 0.143 4.629 4.470 0.027 0.000 0.248 1002 S C 0.209 174.895 174.600 0.143 0.000 1.036 1002 S CA -0.329 57.924 58.200 0.088 0.000 1.061 1002 S CB -0.211 62.989 63.200 0.000 0.000 1.037 1002 S HN 0.113 nan 8.310 nan 0.000 0.584 1003 V N 2.873 122.918 119.914 0.220 0.000 2.455 1003 V HA 0.381 4.517 4.120 0.027 0.000 0.273 1003 V C 0.807 177.050 176.094 0.248 0.000 1.045 1003 V CA -0.281 62.130 62.300 0.185 0.000 0.976 1003 V CB 0.950 32.822 31.823 0.081 0.000 0.993 1003 V HN 0.515 nan 8.190 nan 0.000 0.475 1004 S N 4.046 119.904 115.700 0.262 0.000 2.573 1004 S HA 0.306 4.792 4.470 0.027 0.000 0.277 1004 S C 1.551 176.287 174.600 0.227 0.000 1.346 1004 S CA 0.096 58.438 58.200 0.237 0.000 1.034 1004 S CB 1.164 64.516 63.200 0.254 0.000 0.879 1004 S HN 0.981 nan 8.310 nan 0.000 0.528 1005 A N 3.291 126.202 122.820 0.152 0.000 1.917 1005 A HA -0.149 4.187 4.320 0.027 0.000 0.219 1005 A C 2.021 179.636 177.584 0.051 0.000 1.182 1005 A CA 1.869 53.984 52.037 0.130 0.000 0.633 1005 A CB -0.734 18.323 19.000 0.094 0.000 0.819 1005 A HN 0.961 nan 8.150 nan 0.000 0.448 1006 E N -0.728 119.435 120.200 -0.061 0.000 2.401 1006 E HA -0.145 4.221 4.350 0.027 0.000 0.199 1006 E C 0.802 177.176 176.600 -0.377 0.000 1.023 1006 E CA 0.866 57.106 56.400 -0.267 0.000 0.859 1006 E CB -0.475 28.974 29.700 -0.419 0.000 0.780 1006 E HN 0.699 nan 8.360 nan 0.000 0.523 1007 F N 1.136 121.133 119.950 0.078 0.000 2.639 1007 F HA 0.266 4.808 4.527 0.026 0.000 0.302 1007 F C 0.829 176.662 175.800 0.055 0.000 1.097 1007 F CA -0.572 57.474 58.000 0.076 0.000 1.294 1007 F CB 0.559 39.604 39.000 0.074 0.000 1.027 1007 F HN -0.192 nan 8.300 nan 0.000 0.550 1008 Q N 1.157 121.067 119.800 0.182 0.000 2.222 1008 Q HA 0.424 4.780 4.340 0.027 0.000 0.252 1008 Q C -0.251 175.781 176.000 0.053 0.000 0.926 1008 Q CA -0.600 55.285 55.803 0.136 0.000 0.899 1008 Q CB 2.047 30.954 28.738 0.281 0.000 1.250 1008 Q HN 0.256 nan 8.270 nan 0.000 0.441 1009 L N 2.377 123.616 121.223 0.028 0.000 2.399 1009 L HA 0.125 4.481 4.340 0.027 0.000 0.257 1009 L C 0.508 177.349 176.870 -0.048 0.000 1.236 1009 L CA -0.060 54.776 54.840 -0.008 0.000 1.144 1009 L CB -0.269 41.669 42.059 -0.201 0.000 1.379 1009 L HN 0.707 nan 8.230 nan 0.000 0.414 1010 S N -1.183 114.405 115.700 -0.186 0.000 2.578 1010 S HA 0.151 4.637 4.470 0.027 0.000 0.231 1010 S C 1.676 176.202 174.600 -0.124 0.000 0.994 1010 S CA 0.167 58.086 58.200 -0.469 0.000 0.956 1010 S CB 0.775 63.508 63.200 -0.779 0.000 0.870 1010 S HN 0.507 nan 8.310 nan 0.000 0.494 1011 A N 1.711 124.492 122.820 -0.065 0.000 2.076 1011 A HA 0.367 4.703 4.320 0.027 0.000 0.220 1011 A C 2.184 179.607 177.584 -0.268 0.000 1.160 1011 A CA 1.550 53.404 52.037 -0.304 0.000 0.653 1011 A CB -1.360 17.147 19.000 -0.821 0.000 0.801 1011 A HN 1.506 nan 8.150 nan 0.000 0.455 1012 G N -1.431 107.318 108.800 -0.085 0.000 2.708 1012 G HA2 -0.318 3.658 3.960 0.027 0.000 0.229 1012 G HA3 -0.318 3.658 3.960 0.027 0.000 0.229 1012 G C 0.485 175.367 174.900 -0.028 0.000 1.236 1012 G CA 0.524 45.624 45.100 0.001 0.000 0.749 1012 G HN 0.713 nan 8.290 nan 0.000 0.515 1013 R N -0.286 120.068 120.500 -0.243 0.000 2.480 1013 R HA 0.691 5.047 4.340 0.027 0.000 0.306 1013 R C -1.418 174.624 176.300 -0.430 0.000 0.958 1013 R CA -0.550 55.450 56.100 -0.166 0.000 0.861 1013 R CB 1.370 31.620 30.300 -0.083 0.000 1.171 1013 R HN 0.288 nan 8.270 nan 0.000 0.445 1014 Y N 0.438 120.734 120.300 -0.007 0.000 2.499 1014 Y HA 0.350 4.916 4.550 0.026 0.000 0.347 1014 Y C -0.358 175.677 175.900 0.224 0.000 0.987 1014 Y CA -0.813 57.246 58.100 -0.068 0.000 1.044 1014 Y CB 2.112 40.399 38.460 -0.289 0.000 1.245 1014 Y HN 0.569 nan 8.280 nan 0.000 0.461 1015 H N 2.863 122.179 119.070 0.411 0.000 2.667 1015 H HA 0.589 5.161 4.556 0.026 0.000 0.353 1015 H C -1.723 173.976 175.328 0.618 0.000 1.072 1015 H CA -0.942 55.342 56.048 0.392 0.000 1.214 1015 H CB 1.056 30.956 29.762 0.230 0.000 1.600 1015 H HN 0.577 nan 8.280 nan 0.000 0.527 1016 Y N 1.155 121.226 120.300 -0.382 0.000 2.638 1016 Y HA 0.636 5.202 4.550 0.027 0.000 0.335 1016 Y C -1.813 173.856 175.900 -0.384 0.000 1.155 1016 Y CA -1.117 56.843 58.100 -0.233 0.000 1.046 1016 Y CB 1.509 39.941 38.460 -0.046 0.000 1.303 1016 Y HN 0.635 nan 8.280 nan 0.000 0.460 1017 Q N 1.664 121.431 119.800 -0.055 0.000 2.391 1017 Q HA 0.747 5.103 4.340 0.027 0.000 0.279 1017 Q C -1.879 174.196 176.000 0.125 0.000 1.028 1017 Q CA -0.779 54.986 55.803 -0.063 0.000 0.836 1017 Q CB 3.534 32.287 28.738 0.025 0.000 1.414 1017 Q HN 0.711 nan 8.270 nan 0.000 0.397 1018 L N 0.514 121.802 121.223 0.109 0.000 2.376 1018 L HA 0.803 5.159 4.340 0.027 0.000 0.258 1018 L C -1.116 175.872 176.870 0.197 0.000 1.013 1018 L CA -1.184 53.764 54.840 0.179 0.000 0.822 1018 L CB 2.393 44.537 42.059 0.141 0.000 1.388 1018 L HN 0.323 nan 8.230 nan 0.000 0.413 1019 V N 0.584 120.642 119.914 0.239 0.000 2.487 1019 V HA 0.411 4.547 4.120 0.027 0.000 0.298 1019 V C -1.423 174.863 176.094 0.320 0.000 1.028 1019 V CA -0.398 62.053 62.300 0.252 0.000 0.860 1019 V CB 2.170 34.113 31.823 0.199 0.000 0.991 1019 V HN 0.595 nan 8.190 nan 0.000 0.427 1020 W N 7.105 128.483 121.300 0.131 0.000 2.417 1020 W HA 0.701 5.377 4.660 0.027 0.000 0.315 1020 W C -0.404 176.130 176.519 0.024 0.000 1.045 1020 W CA -1.260 56.088 57.345 0.005 0.000 1.221 1020 W CB 1.373 30.910 29.460 0.129 0.000 1.309 1020 W HN 0.794 nan 8.180 nan 0.000 0.453 1021 C N 4.696 124.220 119.300 0.374 0.000 2.994 1021 C HA 0.822 5.298 4.460 0.027 0.000 0.304 1021 C C -0.205 174.886 174.990 0.168 0.000 1.273 1021 C CA -0.615 58.550 59.018 0.244 0.000 1.537 1021 C CB 1.663 29.501 27.740 0.163 0.000 2.001 1021 C HN 0.659 nan 8.230 nan 0.000 0.471 1022 Q N 0.630 120.488 119.800 0.098 0.000 3.243 1022 Q HA 0.562 4.918 4.340 0.027 0.000 0.257 1022 Q C -0.355 175.623 176.000 -0.037 0.000 1.069 1022 Q CA -0.636 55.166 55.803 -0.002 0.000 0.650 1022 Q CB 0.302 28.985 28.738 -0.092 0.000 3.605 1022 Q HN 0.725 nan 8.270 nan 0.000 0.336 1023 K N 0.000 120.347 120.400 -0.089 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.027 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.071 0.000 0.838 1023 K CB 0.000 32.441 32.500 -0.098 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543