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_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE 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 0.000 176.096 176.300 -0.339 0.000 0.893 13 R CA 0.000 55.968 56.100 -0.219 0.000 0.921 13 R CB 0.000 30.172 30.300 -0.213 0.000 0.687 14 R N 1.934 122.132 120.500 -0.504 0.000 3.251 14 R HA -0.155 4.200 4.340 0.024 0.000 0.249 14 R C -0.237 175.519 176.300 -0.906 0.000 0.949 14 R CA 0.814 56.203 56.100 -1.184 0.000 0.645 14 R CB -1.274 28.484 30.300 -0.903 0.000 1.065 14 R HN 0.290 nan 8.270 nan 0.000 0.452 15 D N -0.160 119.914 120.400 -0.543 0.000 2.263 15 D HA -0.176 4.479 4.640 0.024 0.000 0.208 15 D C 1.595 177.788 176.300 -0.178 0.000 0.971 15 D CA 1.673 55.432 54.000 -0.400 0.000 0.867 15 D CB -0.115 40.262 40.800 -0.704 0.000 0.929 15 D HN 0.724 nan 8.370 nan 0.000 0.492 16 W N 1.195 122.503 121.300 0.013 0.000 3.292 16 W HA 0.222 4.897 4.660 0.024 0.000 0.263 16 W C 0.471 177.088 176.519 0.163 0.000 1.318 16 W CA -0.295 57.169 57.345 0.199 0.000 1.663 16 W CB -0.248 29.380 29.460 0.279 0.000 1.114 16 W HN -0.200 nan 8.180 nan 0.000 0.706 17 E N 1.185 121.238 120.200 -0.246 0.000 3.157 17 E HA 0.050 4.415 4.350 0.024 0.000 0.203 17 E C -0.783 175.673 176.600 -0.240 0.000 0.982 17 E CA -0.225 56.071 56.400 -0.173 0.000 1.217 17 E CB -0.174 29.422 29.700 -0.172 0.000 1.123 17 E HN 0.039 nan 8.360 nan 0.000 0.457 18 N N 0.783 119.374 118.700 -0.181 0.000 2.599 18 N HA 0.145 4.899 4.740 0.024 0.000 0.283 18 N C -2.468 172.900 175.510 -0.237 0.000 1.160 18 N CA -1.863 51.042 53.050 -0.242 0.000 0.869 18 N CB 1.507 39.859 38.487 -0.224 0.000 1.448 18 N HN -0.203 nan 8.380 nan 0.000 0.535 19 P HA 0.089 nan 4.420 nan 0.000 0.230 19 P C 1.124 178.180 177.300 -0.407 0.000 1.158 19 P CA 0.667 63.420 63.100 -0.578 0.000 0.769 19 P CB 0.157 31.021 31.700 -1.392 0.000 0.807 20 G N -0.539 108.063 108.800 -0.330 0.000 2.572 20 G HA2 0.030 4.004 3.960 0.024 0.000 0.216 20 G HA3 0.030 4.004 3.960 0.024 0.000 0.216 20 G C 0.270 175.088 174.900 -0.136 0.000 1.133 20 G CA 0.222 45.184 45.100 -0.229 0.000 0.791 20 G HN 0.207 nan 8.290 nan 0.000 0.538 21 V N 1.488 121.341 119.914 -0.101 0.000 2.326 21 V HA 0.321 4.455 4.120 0.024 0.000 0.281 21 V C 0.818 176.971 176.094 0.099 0.000 1.015 21 V CA 0.101 62.393 62.300 -0.013 0.000 0.823 21 V CB 1.328 33.120 31.823 -0.050 0.000 1.009 21 V HN 0.310 nan 8.190 nan 0.000 0.436 22 T N 0.699 115.309 114.554 0.094 0.000 3.023 22 T HA 0.391 4.755 4.350 0.024 0.000 0.253 22 T C 0.220 174.979 174.700 0.098 0.000 1.038 22 T CA 0.071 62.232 62.100 0.101 0.000 0.962 22 T CB 0.284 69.163 68.868 0.018 0.000 1.018 22 T HN 0.725 nan 8.240 nan 0.000 0.521 23 Q N 0.082 119.994 119.800 0.187 0.000 2.848 23 Q HA 0.648 5.002 4.340 0.024 0.000 0.288 23 Q C -2.282 173.865 176.000 0.245 0.000 0.907 23 Q CA -1.012 54.894 55.803 0.173 0.000 0.792 23 Q CB 0.690 29.447 28.738 0.031 0.000 1.534 23 Q HN 0.210 nan 8.270 nan 0.000 0.419 24 L N 1.643 123.036 121.223 0.283 0.000 2.438 24 L HA 0.610 4.964 4.340 0.024 0.000 0.270 24 L C -0.541 176.459 176.870 0.217 0.000 0.972 24 L CA -0.913 54.091 54.840 0.273 0.000 0.831 24 L CB 1.935 44.267 42.059 0.455 0.000 1.273 24 L HN 0.856 nan 8.230 nan 0.000 0.405 25 N N 0.907 119.708 118.700 0.168 0.000 2.713 25 N HA -0.221 4.534 4.740 0.024 0.000 0.251 25 N C 0.191 175.821 175.510 0.199 0.000 1.117 25 N CA 0.852 53.995 53.050 0.154 0.000 0.770 25 N CB -0.842 37.687 38.487 0.070 0.000 1.137 25 N HN 0.649 nan 8.380 nan 0.000 0.566 26 R N 0.841 121.386 120.500 0.075 0.000 2.490 26 R HA 0.396 4.750 4.340 0.024 0.000 0.280 26 R C 0.501 176.688 176.300 -0.189 0.000 1.077 26 R CA -0.350 55.578 56.100 -0.285 0.000 1.065 26 R CB 0.552 30.674 30.300 -0.297 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.470 27 L N 3.016 124.094 121.223 -0.242 0.000 2.453 27 L HA 0.320 4.675 4.340 0.024 0.000 0.261 27 L C 0.672 177.500 176.870 -0.069 0.000 1.179 27 L CA -0.577 54.207 54.840 -0.093 0.000 0.813 27 L CB 0.958 42.987 42.059 -0.050 0.000 1.110 27 L HN 0.791 nan 8.230 nan 0.000 0.466 28 A N 1.491 124.309 122.820 -0.004 0.000 2.507 28 A HA 0.468 4.803 4.320 0.024 0.000 0.235 28 A C 0.302 177.906 177.584 0.033 0.000 1.070 28 A CA 0.087 52.130 52.037 0.010 0.000 0.768 28 A CB 0.135 19.164 19.000 0.048 0.000 1.011 28 A HN 0.799 nan 8.150 nan 0.000 0.502 29 A N 1.004 123.797 122.820 -0.044 0.000 2.332 29 A HA 0.694 5.028 4.320 0.024 0.000 0.258 29 A C 0.085 177.593 177.584 -0.127 0.000 1.087 29 A CA 0.475 52.409 52.037 -0.171 0.000 0.802 29 A CB -0.043 18.852 19.000 -0.175 0.000 1.042 29 A HN 1.943 nan 8.150 nan 0.000 0.489 30 H N -2.320 116.605 119.070 -0.241 0.000 2.904 30 H HA 0.618 5.188 4.556 0.024 0.000 0.290 30 H C -3.422 171.636 175.328 -0.450 0.000 1.437 30 H CA -1.715 54.130 56.048 -0.337 0.000 1.147 30 H CB 0.081 29.542 29.762 -0.502 0.000 1.824 30 H HN 0.392 nan 8.280 nan 0.000 0.505 31 P HA 0.244 nan 4.420 nan 0.000 0.276 31 P C -2.620 174.536 177.300 -0.240 0.000 1.261 31 P CA -1.554 61.359 63.100 -0.312 0.000 0.800 31 P CB -0.208 31.261 31.700 -0.386 0.000 1.066 32 P HA 0.027 nan 4.420 nan 0.000 0.261 32 P C -0.780 176.730 177.300 0.349 0.000 1.183 32 P CA 1.168 64.316 63.100 0.079 0.000 0.761 32 P CB -0.156 31.628 31.700 0.139 0.000 0.785 33 F N 1.314 121.367 119.950 0.171 0.000 2.556 33 F HA 0.608 5.149 4.527 0.024 0.000 0.327 33 F C 0.973 176.691 175.800 -0.137 0.000 1.059 33 F CA -1.063 56.974 58.000 0.061 0.000 0.953 33 F CB 2.212 41.217 39.000 0.008 0.000 1.227 33 F HN 0.209 nan 8.300 nan 0.000 0.478 34 A N 0.325 123.043 122.820 -0.170 0.000 2.664 34 A HA 0.241 4.575 4.320 0.024 0.000 0.222 34 A C 0.560 177.828 177.584 -0.527 0.000 1.320 34 A CA 0.371 52.058 52.037 -0.583 0.000 1.029 34 A CB -0.083 17.993 19.000 -1.541 0.000 1.318 34 A HN 0.736 nan 8.150 nan 0.000 0.589 35 S N 0.430 115.941 115.700 -0.315 0.000 3.524 35 S HA -0.148 4.337 4.470 0.024 0.000 0.377 35 S C -0.087 174.444 174.600 -0.115 0.000 0.949 35 S CA 0.430 58.511 58.200 -0.197 0.000 1.264 35 S CB -1.455 61.637 63.200 -0.180 0.000 0.918 35 S HN 0.463 nan 8.310 nan 0.000 0.517 36 W N 2.041 123.316 121.300 -0.042 0.000 2.202 36 W HA 0.326 5.000 4.660 0.023 0.000 0.332 36 W C 1.298 177.794 176.519 -0.039 0.000 1.263 36 W CA -0.701 56.627 57.345 -0.028 0.000 1.223 36 W CB 0.409 29.852 29.460 -0.028 0.000 1.128 36 W HN 0.329 nan 8.180 nan 0.000 0.573 37 R N 1.972 122.602 120.500 0.216 0.000 2.546 37 R HA 0.077 4.432 4.340 0.024 0.000 0.320 37 R C -0.080 176.275 176.300 0.091 0.000 1.021 37 R CA -0.144 56.022 56.100 0.111 0.000 1.088 37 R CB -0.301 30.034 30.300 0.057 0.000 1.278 37 R HN 0.329 nan 8.270 nan 0.000 0.557 38 N N -0.101 118.663 118.700 0.107 0.000 2.454 38 N HA 0.116 4.870 4.740 0.024 0.000 0.291 38 N C -0.084 175.386 175.510 -0.067 0.000 1.079 38 N CA -0.084 52.977 53.050 0.018 0.000 0.893 38 N CB 1.888 40.388 38.487 0.023 0.000 1.512 38 N HN -0.277 nan 8.380 nan 0.000 0.497 39 S N 1.987 117.634 115.700 -0.089 0.000 2.399 39 S HA -0.092 4.393 4.470 0.024 0.000 0.231 39 S C 1.315 175.741 174.600 -0.290 0.000 1.022 39 S CA 0.791 58.897 58.200 -0.157 0.000 0.983 39 S CB 0.088 63.230 63.200 -0.095 0.000 0.803 39 S HN 0.587 nan 8.310 nan 0.000 0.480 40 E N 1.392 121.440 120.200 -0.252 0.000 2.106 40 E HA -0.080 4.285 4.350 0.024 0.000 0.192 40 E C 2.010 178.379 176.600 -0.386 0.000 0.984 40 E CA 0.852 57.065 56.400 -0.312 0.000 0.806 40 E CB -0.208 29.371 29.700 -0.201 0.000 0.750 40 E HN 0.587 nan 8.360 nan 0.000 0.458 41 E N 0.104 120.087 120.200 -0.362 0.000 2.110 41 E HA -0.152 4.213 4.350 0.024 0.000 0.193 41 E C 1.955 177.935 176.600 -1.034 0.000 0.988 41 E CA 0.909 57.035 56.400 -0.456 0.000 0.804 41 E CB -0.046 29.517 29.700 -0.229 0.000 0.745 41 E HN 0.196 nan 8.360 nan 0.000 0.458 42 A N 1.592 123.642 122.820 -1.284 0.000 1.877 42 A HA -0.229 4.106 4.320 0.024 0.000 0.216 42 A C 2.102 179.092 177.584 -0.991 0.000 1.186 42 A CA 1.639 52.651 52.037 -1.710 0.000 0.620 42 A CB -0.496 17.997 19.000 -0.844 0.000 0.822 42 A HN 0.112 nan 8.150 nan 0.000 0.443 43 R N -0.200 119.884 120.500 -0.694 0.000 2.081 43 R HA -0.135 4.220 4.340 0.024 0.000 0.235 43 R C 1.882 177.891 176.300 -0.484 0.000 1.131 43 R CA 2.147 57.877 56.100 -0.616 0.000 0.960 43 R CB -0.504 29.276 30.300 -0.868 0.000 0.856 43 R HN 0.599 nan 8.270 nan 0.000 0.436 44 T N -2.723 111.569 114.554 -0.437 0.000 3.107 44 T HA 0.083 4.448 4.350 0.024 0.000 0.249 44 T C 0.181 174.773 174.700 -0.180 0.000 1.096 44 T CA 0.429 62.367 62.100 -0.270 0.000 1.012 44 T CB 0.130 68.868 68.868 -0.216 0.000 0.977 44 T HN 0.363 nan 8.240 nan 0.000 0.527 45 D N 0.776 121.028 120.400 -0.247 0.000 2.981 45 D HA -0.150 4.505 4.640 0.024 0.000 0.223 45 D C 0.103 176.498 176.300 0.160 0.000 1.151 45 D CA 0.392 54.395 54.000 0.006 0.000 0.827 45 D CB -1.030 39.826 40.800 0.094 0.000 1.101 45 D HN 0.574 nan 8.370 nan 0.000 0.426 46 R N -0.052 120.504 120.500 0.094 0.000 2.649 46 R HA 0.467 4.821 4.340 0.024 0.000 0.270 46 R C -2.042 174.498 176.300 0.399 0.000 1.105 46 R CA -1.205 55.008 56.100 0.189 0.000 1.193 46 R CB -0.025 30.337 30.300 0.103 0.000 1.120 46 R HN 0.063 nan 8.270 nan 0.000 0.561 47 P HA -0.034 nan 4.420 nan 0.000 0.269 47 P C -0.775 176.696 177.300 0.285 0.000 1.217 47 P CA 0.217 63.460 63.100 0.239 0.000 0.783 47 P CB 0.660 32.448 31.700 0.147 0.000 0.898 48 S N 0.939 116.695 115.700 0.093 0.000 2.478 48 S HA 0.166 4.650 4.470 0.024 0.000 0.312 48 S C 0.795 175.414 174.600 0.030 0.000 1.094 48 S CA -0.404 57.780 58.200 -0.027 0.000 1.081 48 S CB 0.866 63.762 63.200 -0.506 0.000 1.007 48 S HN 0.184 nan 8.310 nan 0.000 0.475 49 Q N 2.628 122.481 119.800 0.088 0.000 2.364 49 Q HA 0.018 4.373 4.340 0.024 0.000 0.209 49 Q C 1.244 177.358 176.000 0.189 0.000 0.977 49 Q CA 1.588 57.472 55.803 0.135 0.000 0.885 49 Q CB -0.129 28.689 28.738 0.132 0.000 0.941 49 Q HN 0.750 nan 8.270 nan 0.000 0.464 50 Q N -1.000 118.834 119.800 0.057 0.000 2.403 50 Q HA 0.176 4.531 4.340 0.024 0.000 0.203 50 Q C -0.684 175.354 176.000 0.063 0.000 0.932 50 Q CA 0.113 55.903 55.803 -0.022 0.000 0.945 50 Q CB 0.465 29.113 28.738 -0.150 0.000 1.045 50 Q HN 0.102 nan 8.270 nan 0.000 0.511 51 L N 0.376 121.653 121.223 0.090 0.000 2.377 51 L HA 0.443 4.797 4.340 0.024 0.000 0.270 51 L C -1.227 175.723 176.870 0.134 0.000 0.991 51 L CA -0.370 54.525 54.840 0.092 0.000 0.851 51 L CB 1.128 43.157 42.059 -0.051 0.000 1.218 51 L HN -0.154 nan 8.230 nan 0.000 0.420 52 R N 2.209 122.824 120.500 0.191 0.000 2.604 52 R HA 0.637 4.991 4.340 0.024 0.000 0.287 52 R C -0.582 175.741 176.300 0.037 0.000 0.970 52 R CA -0.582 55.581 56.100 0.104 0.000 0.946 52 R CB 2.001 32.339 30.300 0.063 0.000 1.127 52 R HN 0.681 nan 8.270 nan 0.000 0.473 53 S N 1.984 117.693 115.700 0.016 0.000 2.541 53 S HA 0.319 4.804 4.470 0.024 0.000 0.283 53 S C 0.590 175.180 174.600 -0.017 0.000 1.196 53 S CA -0.636 57.562 58.200 -0.003 0.000 1.062 53 S CB 0.672 63.882 63.200 0.016 0.000 1.009 53 S HN 0.561 nan 8.310 nan 0.000 0.502 54 L N 3.096 124.308 121.223 -0.017 0.000 2.808 54 L HA 0.304 4.658 4.340 0.024 0.000 0.246 54 L C 0.089 177.104 176.870 0.242 0.000 1.153 54 L CA -0.349 54.501 54.840 0.017 0.000 0.956 54 L CB -0.232 41.771 42.059 -0.093 0.000 1.270 54 L HN 0.505 nan 8.230 nan 0.000 0.528 55 N N 1.382 120.168 118.700 0.144 0.000 2.453 55 N HA 0.461 5.216 4.740 0.024 0.000 0.253 55 N C 0.628 176.264 175.510 0.209 0.000 1.252 55 N CA 0.990 54.133 53.050 0.155 0.000 0.917 55 N CB 1.243 39.754 38.487 0.041 0.000 1.117 55 N HN 0.284 nan 8.380 nan 0.000 0.442 56 G N 0.289 109.237 108.800 0.247 0.000 2.347 56 G HA2 -0.051 3.923 3.960 0.024 0.000 0.224 56 G HA3 -0.051 3.923 3.960 0.024 0.000 0.224 56 G C -1.529 173.584 174.900 0.355 0.000 1.318 56 G CA -0.783 44.453 45.100 0.226 0.000 1.016 56 G HN 0.455 nan 8.290 nan 0.000 0.469 57 E N -0.109 120.267 120.200 0.295 0.000 2.229 57 E HA 0.496 4.860 4.350 0.024 0.000 0.283 57 E C -1.033 175.811 176.600 0.407 0.000 1.030 57 E CA -0.232 56.354 56.400 0.310 0.000 0.836 57 E CB 1.102 30.901 29.700 0.165 0.000 1.068 57 E HN 0.360 nan 8.360 nan 0.000 0.401 58 W N 1.587 122.969 121.300 0.137 0.000 2.967 58 W HA 0.414 5.088 4.660 0.024 0.000 0.342 58 W C -0.060 176.577 176.519 0.196 0.000 1.162 58 W CA -0.726 56.729 57.345 0.184 0.000 1.085 58 W CB 0.816 30.439 29.460 0.272 0.000 1.460 58 W HN 0.190 nan 8.180 nan 0.000 0.584 59 R N 1.533 122.300 120.500 0.444 0.000 2.368 59 R HA 0.581 4.936 4.340 0.024 0.000 0.302 59 R C -1.460 175.085 176.300 0.409 0.000 1.002 59 R CA -0.834 55.468 56.100 0.338 0.000 0.929 59 R CB 1.127 31.574 30.300 0.244 0.000 1.073 59 R HN 0.479 nan 8.270 nan 0.000 0.464 60 F N 0.513 120.498 119.950 0.057 0.000 2.581 60 F HA 0.617 5.158 4.527 0.024 0.000 0.311 60 F C -1.537 174.094 175.800 -0.281 0.000 1.113 60 F CA -0.599 57.285 58.000 -0.193 0.000 0.935 60 F CB 1.960 40.733 39.000 -0.378 0.000 1.232 60 F HN 0.613 nan 8.300 nan 0.000 0.445 61 A N 4.791 126.810 122.820 -1.335 0.000 2.422 61 A HA 0.564 4.899 4.320 0.024 0.000 0.302 61 A C -2.328 174.285 177.584 -1.617 0.000 1.041 61 A CA -0.529 50.816 52.037 -1.154 0.000 0.708 61 A CB 0.708 19.332 19.000 -0.626 0.000 1.257 61 A HN 0.954 nan 8.150 nan 0.000 0.414 62 W N 2.682 123.098 121.300 -1.475 0.000 2.438 62 W HA 0.737 5.412 4.660 0.024 0.000 0.324 62 W C -1.690 174.180 176.519 -1.082 0.000 1.119 62 W CA -0.258 56.397 57.345 -1.149 0.000 1.221 62 W CB 0.959 30.032 29.460 -0.646 0.000 1.253 62 W HN 0.504 nan 8.180 nan 0.000 0.555 63 F N 5.994 125.169 119.950 -1.292 0.000 2.599 63 F HA 0.350 4.892 4.527 0.024 0.000 0.311 63 F C -1.278 173.569 175.800 -1.589 0.000 1.076 63 F CA -2.062 55.316 58.000 -1.036 0.000 0.937 63 F CB 2.167 40.739 39.000 -0.712 0.000 1.282 63 F HN 0.217 nan 8.300 nan 0.000 0.460 64 P HA 0.127 nan 4.420 nan 0.000 0.231 64 P C -0.441 176.755 177.300 -0.173 0.000 1.168 64 P CA 0.773 63.649 63.100 -0.374 0.000 0.779 64 P CB 0.760 32.512 31.700 0.088 0.000 0.844 65 A N -0.382 122.330 122.820 -0.180 0.000 2.605 65 A HA 0.514 4.849 4.320 0.024 0.000 0.294 65 A C -2.426 175.045 177.584 -0.188 0.000 1.062 65 A CA -1.014 50.957 52.037 -0.109 0.000 0.682 65 A CB 0.507 19.505 19.000 -0.003 0.000 1.278 65 A HN -0.291 nan 8.150 nan 0.000 0.410 66 P HA -0.130 nan 4.420 nan 0.000 0.218 66 P C 0.726 177.921 177.300 -0.175 0.000 1.148 66 P CA 1.515 64.469 63.100 -0.242 0.000 0.822 66 P CB 0.265 31.785 31.700 -0.300 0.000 0.784 67 E N 0.080 120.239 120.200 -0.069 0.000 2.333 67 E HA -0.047 4.317 4.350 0.024 0.000 0.198 67 E C 1.984 178.506 176.600 -0.130 0.000 1.007 67 E CA 1.143 57.512 56.400 -0.051 0.000 0.845 67 E CB -0.915 28.792 29.700 0.011 0.000 0.766 67 E HN 0.254 nan 8.360 nan 0.000 0.507 68 A N 0.237 122.938 122.820 -0.198 0.000 2.251 68 A HA 0.117 4.451 4.320 0.024 0.000 0.209 68 A C 0.614 177.851 177.584 -0.578 0.000 1.187 68 A CA -0.165 51.735 52.037 -0.230 0.000 0.823 68 A CB 0.272 19.237 19.000 -0.058 0.000 0.846 68 A HN 0.028 nan 8.150 nan 0.000 0.486 69 V N 2.521 121.983 119.914 -0.752 0.000 2.508 69 V HA 0.205 4.339 4.120 0.024 0.000 0.281 69 V C -2.227 173.522 176.094 -0.575 0.000 1.041 69 V CA -1.342 60.286 62.300 -1.120 0.000 1.016 69 V CB 0.694 31.966 31.823 -0.920 0.000 0.984 69 V HN 0.286 nan 8.190 nan 0.000 0.478 70 P HA 0.176 nan 4.420 nan 0.000 0.276 70 P C 0.731 177.975 177.300 -0.093 0.000 1.230 70 P CA -0.405 62.590 63.100 -0.175 0.000 0.776 70 P CB 0.703 32.362 31.700 -0.069 0.000 0.888 71 E N 2.094 122.250 120.200 -0.073 0.000 2.160 71 E HA -0.201 4.163 4.350 0.024 0.000 0.195 71 E C 1.356 177.929 176.600 -0.045 0.000 0.991 71 E CA 1.997 58.358 56.400 -0.064 0.000 0.810 71 E CB -1.351 28.314 29.700 -0.059 0.000 0.742 71 E HN 0.467 nan 8.360 nan 0.000 0.466 72 S N 0.260 115.952 115.700 -0.013 0.000 2.402 72 S HA -0.218 4.266 4.470 0.024 0.000 0.233 72 S C 1.795 176.404 174.600 0.015 0.000 1.030 72 S CA 1.103 59.302 58.200 -0.002 0.000 1.003 72 S CB -1.220 61.991 63.200 0.019 0.000 0.813 72 S HN 0.549 nan 8.310 nan 0.000 0.477 73 W N 2.423 123.632 121.300 -0.152 0.000 2.331 73 W HA -0.058 4.616 4.660 0.024 0.000 0.291 73 W C 1.703 178.104 176.519 -0.197 0.000 1.214 73 W CA 1.334 58.583 57.345 -0.159 0.000 1.228 73 W CB -0.411 28.930 29.460 -0.198 0.000 1.135 73 W HN 0.303 nan 8.180 nan 0.000 0.537 74 L N 0.167 121.147 121.223 -0.406 0.000 2.201 74 L HA -0.133 4.221 4.340 0.024 0.000 0.212 74 L C 2.224 178.846 176.870 -0.414 0.000 1.105 74 L CA 1.186 55.626 54.840 -0.667 0.000 0.775 74 L CB -0.688 41.021 42.059 -0.583 0.000 0.913 74 L HN -0.077 nan 8.230 nan 0.000 0.440 75 E N -1.576 118.474 120.200 -0.250 0.000 2.447 75 E HA 0.104 4.468 4.350 0.024 0.000 0.204 75 E C -0.167 176.360 176.600 -0.123 0.000 0.977 75 E CA 0.101 56.410 56.400 -0.152 0.000 0.950 75 E CB 0.812 30.460 29.700 -0.087 0.000 0.975 75 E HN 0.302 nan 8.360 nan 0.000 0.496 76 C N 0.247 119.474 119.300 -0.121 0.000 3.170 76 C HA 0.395 4.869 4.460 0.024 0.000 0.319 76 C C -0.883 174.089 174.990 -0.030 0.000 1.260 76 C CA -1.050 57.929 59.018 -0.065 0.000 1.374 76 C CB 1.250 28.972 27.740 -0.030 0.000 1.739 76 C HN 0.200 nan 8.230 nan 0.000 0.479 77 D N 1.675 122.076 120.400 0.002 0.000 2.443 77 D HA 0.337 4.991 4.640 0.024 0.000 0.239 77 D C -0.366 175.997 176.300 0.105 0.000 1.136 77 D CA 0.348 54.388 54.000 0.067 0.000 0.879 77 D CB 0.619 41.453 40.800 0.057 0.000 1.195 77 D HN 0.544 nan 8.370 nan 0.000 0.443 78 L N 5.529 126.857 121.223 0.174 0.000 2.319 78 L HA 0.254 4.608 4.340 0.024 0.000 0.280 78 L C -1.343 175.579 176.870 0.087 0.000 1.099 78 L CA -1.469 53.454 54.840 0.139 0.000 0.828 78 L CB 1.181 43.333 42.059 0.154 0.000 1.150 78 L HN 0.498 nan 8.230 nan 0.000 0.442 79 P HA -0.140 nan 4.420 nan 0.000 0.220 79 P C 0.672 177.994 177.300 0.037 0.000 1.148 79 P CA 0.985 64.113 63.100 0.046 0.000 0.803 79 P CB 0.257 31.978 31.700 0.036 0.000 0.782 80 E N -0.392 119.826 120.200 0.030 0.000 2.482 80 E HA 0.139 4.504 4.350 0.024 0.000 0.196 80 E C 1.020 177.616 176.600 -0.006 0.000 1.047 80 E CA 0.108 56.511 56.400 0.005 0.000 0.869 80 E CB -0.733 28.953 29.700 -0.025 0.000 0.836 80 E HN 0.194 nan 8.360 nan 0.000 0.520 81 A N 1.101 123.927 122.820 0.011 0.000 2.346 81 A HA 0.208 4.542 4.320 0.024 0.000 0.252 81 A C -0.030 177.595 177.584 0.069 0.000 1.089 81 A CA -0.314 51.728 52.037 0.008 0.000 0.797 81 A CB 0.360 19.392 19.000 0.053 0.000 1.047 81 A HN -0.049 nan 8.150 nan 0.000 0.494 82 D N -0.551 119.920 120.400 0.120 0.000 2.392 82 D HA 0.535 5.189 4.640 0.024 0.000 0.246 82 D C -0.650 175.759 176.300 0.182 0.000 1.013 82 D CA -0.009 54.087 54.000 0.162 0.000 0.993 82 D CB 1.411 42.363 40.800 0.253 0.000 1.219 82 D HN 0.398 nan 8.370 nan 0.000 0.538 83 T N 0.432 115.077 114.554 0.153 0.000 2.767 83 T HA 0.531 4.895 4.350 0.024 0.000 0.284 83 T C 0.097 174.885 174.700 0.146 0.000 0.973 83 T CA -0.582 61.615 62.100 0.161 0.000 0.996 83 T CB 0.808 69.747 68.868 0.118 0.000 0.927 83 T HN 0.275 nan 8.240 nan 0.000 0.456 84 V N 0.979 121.006 119.914 0.190 0.000 3.130 84 V HA 0.785 4.919 4.120 0.024 0.000 0.310 84 V C -0.290 175.911 176.094 0.179 0.000 1.158 84 V CA -1.084 61.283 62.300 0.111 0.000 1.029 84 V CB 1.607 33.499 31.823 0.116 0.000 1.057 84 V HN 0.540 nan 8.190 nan 0.000 0.436 85 V N 2.121 122.109 119.914 0.123 0.000 2.686 85 V HA 0.487 4.622 4.120 0.024 0.000 0.295 85 V C 0.088 176.266 176.094 0.139 0.000 1.055 85 V CA 0.044 62.428 62.300 0.141 0.000 1.050 85 V CB 1.361 33.238 31.823 0.090 0.000 0.984 85 V HN 0.764 nan 8.190 nan 0.000 0.482 86 V N 6.587 126.510 119.914 0.014 0.000 2.656 86 V HA 0.442 4.577 4.120 0.024 0.000 0.307 86 V C -2.352 173.640 176.094 -0.170 0.000 1.051 86 V CA -1.760 60.409 62.300 -0.218 0.000 0.893 86 V CB 2.370 33.711 31.823 -0.804 0.000 0.999 86 V HN 0.750 nan 8.190 nan 0.000 0.426 87 P HA 0.409 nan 4.420 nan 0.000 0.274 87 P C -0.743 176.495 177.300 -0.102 0.000 1.231 87 P CA -0.041 62.946 63.100 -0.188 0.000 0.790 87 P CB 1.132 32.731 31.700 -0.169 0.000 0.951 88 S N 0.275 115.925 115.700 -0.083 0.000 2.595 88 S HA 0.418 4.903 4.470 0.024 0.000 0.270 88 S C -1.307 173.236 174.600 -0.095 0.000 1.145 88 S CA -1.034 57.105 58.200 -0.102 0.000 0.825 88 S CB 0.485 63.604 63.200 -0.135 0.000 1.107 88 S HN 0.325 nan 8.310 nan 0.000 0.461 89 N N 1.055 119.632 118.700 -0.204 0.000 2.408 89 N HA 0.433 5.187 4.740 0.024 0.000 0.280 89 N C 0.509 175.849 175.510 -0.283 0.000 1.002 89 N CA -0.838 52.062 53.050 -0.249 0.000 0.907 89 N CB 0.702 39.011 38.487 -0.295 0.000 1.161 89 N HN 0.864 nan 8.380 nan 0.000 0.488 90 W N 2.350 123.513 121.300 -0.228 0.000 2.421 90 W HA -0.061 4.614 4.660 0.024 0.000 0.270 90 W C 1.013 177.503 176.519 -0.048 0.000 1.233 90 W CA 0.615 57.824 57.345 -0.227 0.000 1.226 90 W CB -0.348 28.980 29.460 -0.219 0.000 1.121 90 W HN 0.499 nan 8.180 nan 0.000 0.579 91 Q N 0.654 120.436 119.800 -0.029 0.000 2.170 91 Q HA -0.132 4.222 4.340 0.024 0.000 0.203 91 Q C 2.201 178.141 176.000 -0.101 0.000 0.976 91 Q CA 1.979 57.754 55.803 -0.046 0.000 0.858 91 Q CB -0.592 28.003 28.738 -0.239 0.000 0.907 91 Q HN 0.297 nan 8.270 nan 0.000 0.433 92 M N -0.751 118.747 119.600 -0.169 0.000 2.549 92 M HA -0.082 4.412 4.480 0.024 0.000 0.260 92 M C 0.673 177.018 176.300 0.074 0.000 1.076 92 M CA 1.465 56.688 55.300 -0.128 0.000 1.090 92 M CB -0.626 31.879 32.600 -0.158 0.000 1.418 92 M HN 0.400 nan 8.290 nan 0.000 0.486 93 H N -0.912 118.185 119.070 0.045 0.000 2.586 93 H HA 0.300 4.870 4.556 0.024 0.000 0.273 93 H C 1.307 176.528 175.328 -0.179 0.000 0.997 93 H CA 0.051 56.110 56.048 0.019 0.000 1.177 93 H CB 0.410 30.297 29.762 0.207 0.000 1.471 93 H HN 0.552 nan 8.280 nan 0.000 0.538 94 G N 0.767 109.570 108.800 0.005 0.000 2.148 94 G HA2 -0.377 3.597 3.960 0.024 0.000 0.254 94 G HA3 -0.377 3.597 3.960 0.024 0.000 0.254 94 G C 0.382 175.151 174.900 -0.218 0.000 0.981 94 G CA 0.445 45.480 45.100 -0.109 0.000 0.670 94 G HN 0.484 nan 8.290 nan 0.000 0.528 95 Y N 1.486 121.812 120.300 0.044 0.000 2.352 95 Y HA 0.247 4.811 4.550 0.024 0.000 0.292 95 Y C 1.644 177.321 175.900 -0.371 0.000 1.136 95 Y CA 1.556 59.565 58.100 -0.151 0.000 1.227 95 Y CB 0.178 38.609 38.460 -0.048 0.000 0.991 95 Y HN 0.670 nan 8.280 nan 0.000 0.545 96 D N -2.140 118.314 120.400 0.090 0.000 2.692 96 D HA 0.481 5.135 4.640 0.024 0.000 0.290 96 D C -1.224 175.147 176.300 0.118 0.000 1.281 96 D CA -0.806 53.235 54.000 0.069 0.000 0.804 96 D CB 0.702 41.656 40.800 0.256 0.000 1.331 96 D HN -0.054 nan 8.370 nan 0.000 0.432 97 A N -0.005 122.892 122.820 0.129 0.000 2.316 97 A HA 0.718 5.052 4.320 0.024 0.000 0.284 97 A C -2.341 175.264 177.584 0.037 0.000 1.115 97 A CA -1.164 50.925 52.037 0.088 0.000 0.812 97 A CB 0.133 19.251 19.000 0.197 0.000 1.064 97 A HN 0.544 nan 8.150 nan 0.000 0.489 98 P HA 0.465 nan 4.420 nan 0.000 0.277 98 P C -0.956 176.519 177.300 0.292 0.000 1.240 98 P CA -0.020 63.031 63.100 -0.082 0.000 0.798 98 P CB 0.825 32.221 31.700 -0.506 0.000 0.979 99 I N 2.202 123.044 120.570 0.453 0.000 2.418 99 I HA 0.240 4.424 4.170 0.024 0.000 0.287 99 I C -0.579 175.699 176.117 0.269 0.000 1.008 99 I CA -0.927 60.613 61.300 0.400 0.000 1.104 99 I CB 1.518 39.686 38.000 0.281 0.000 1.264 99 I HN 0.279 nan 8.210 nan 0.000 0.438 100 Y N 6.518 126.718 120.300 -0.166 0.000 2.504 100 Y HA 0.517 5.081 4.550 0.024 0.000 0.339 100 Y C -0.193 175.539 175.900 -0.279 0.000 0.974 100 Y CA -0.401 57.317 58.100 -0.637 0.000 1.232 100 Y CB 1.025 38.550 38.460 -1.560 0.000 1.108 100 Y HN 0.534 nan 8.280 nan 0.000 0.509 101 T N 5.096 119.102 114.554 -0.913 0.000 2.876 101 T HA 0.270 4.634 4.350 0.024 0.000 0.289 101 T C 0.096 174.315 174.700 -0.801 0.000 1.014 101 T CA -0.594 61.042 62.100 -0.772 0.000 0.986 101 T CB 1.160 69.809 68.868 -0.365 0.000 1.021 101 T HN 0.746 nan 8.240 nan 0.000 0.458 102 N N 2.666 120.958 118.700 -0.680 0.000 2.349 102 N HA 0.080 4.834 4.740 0.024 0.000 0.202 102 N C 1.571 176.869 175.510 -0.353 0.000 1.041 102 N CA 1.365 54.157 53.050 -0.428 0.000 0.970 102 N CB -0.600 37.647 38.487 -0.401 0.000 1.173 102 N HN 0.386 nan 8.380 nan 0.000 0.493 103 V N 0.555 120.237 119.914 -0.386 0.000 2.492 103 V HA 0.105 4.239 4.120 0.024 0.000 0.241 103 V C 0.465 176.336 176.094 -0.370 0.000 1.041 103 V CA 0.911 62.987 62.300 -0.372 0.000 1.057 103 V CB -0.718 30.883 31.823 -0.371 0.000 0.711 103 V HN 0.322 nan 8.190 nan 0.000 0.468 104 T N 0.901 115.271 114.554 -0.306 0.000 2.902 104 T HA 0.133 4.497 4.350 0.024 0.000 0.301 104 T C -0.317 174.254 174.700 -0.214 0.000 1.012 104 T CA 0.265 62.232 62.100 -0.221 0.000 1.151 104 T CB -0.176 68.589 68.868 -0.171 0.000 0.946 104 T HN 0.183 nan 8.240 nan 0.000 0.542 105 Y N 4.606 124.814 120.300 -0.154 0.000 2.550 105 Y HA 0.118 4.683 4.550 0.024 0.000 0.343 105 Y C -0.780 174.994 175.900 -0.210 0.000 1.245 105 Y CA -1.536 56.458 58.100 -0.177 0.000 1.462 105 Y CB 0.482 38.828 38.460 -0.190 0.000 1.340 105 Y HN 0.511 nan 8.280 nan 0.000 0.604 106 P HA 0.056 nan 4.420 nan 0.000 0.249 106 P C -0.417 176.650 177.300 -0.390 0.000 1.229 106 P CA 0.897 63.883 63.100 -0.190 0.000 0.788 106 P CB 0.114 31.739 31.700 -0.125 0.000 1.072 107 I N -4.953 115.362 120.570 -0.425 0.000 3.002 107 I HA 0.514 4.698 4.170 0.024 0.000 0.310 107 I C -0.609 175.366 176.117 -0.238 0.000 1.087 107 I CA -1.166 59.852 61.300 -0.470 0.000 1.017 107 I CB 1.891 39.440 38.000 -0.750 0.000 1.226 107 I HN -0.456 nan 8.210 nan 0.000 0.443 108 T N 2.814 117.277 114.554 -0.152 0.000 2.928 108 T HA 0.138 4.502 4.350 0.024 0.000 0.305 108 T C 0.165 174.843 174.700 -0.038 0.000 1.035 108 T CA -0.165 61.898 62.100 -0.061 0.000 1.145 108 T CB 0.674 69.531 68.868 -0.019 0.000 0.963 108 T HN 0.379 nan 8.240 nan 0.000 0.545 109 V N 4.987 124.893 119.914 -0.014 0.000 2.370 109 V HA 0.230 4.365 4.120 0.024 0.000 0.257 109 V C 0.644 176.779 176.094 0.068 0.000 1.064 109 V CA -0.125 62.185 62.300 0.018 0.000 0.975 109 V CB -0.123 31.690 31.823 -0.016 0.000 1.067 109 V HN 0.864 nan 8.190 nan 0.000 0.485 110 N N 6.251 125.050 118.700 0.164 0.000 2.732 110 N HA 0.253 5.008 4.740 0.024 0.000 0.230 110 N C -2.978 172.600 175.510 0.113 0.000 1.487 110 N CA -1.221 51.910 53.050 0.134 0.000 0.765 110 N CB 1.479 40.082 38.487 0.194 0.000 1.384 110 N HN 0.250 nan 8.380 nan 0.000 0.530 111 P HA 0.192 nan 4.420 nan 0.000 0.266 111 P C -2.284 174.791 177.300 -0.375 0.000 1.195 111 P CA -0.714 61.966 63.100 -0.699 0.000 0.768 111 P CB 0.478 31.621 31.700 -0.929 0.000 0.838 112 P HA 0.240 nan 4.420 nan 0.000 0.262 112 P C -0.521 176.635 177.300 -0.239 0.000 1.651 112 P CA -0.306 62.565 63.100 -0.381 0.000 1.119 112 P CB -0.014 31.471 31.700 -0.358 0.000 1.552 113 F N 0.924 120.971 119.950 0.162 0.000 2.380 113 F HA 0.339 4.881 4.527 0.025 0.000 0.325 113 F C 1.367 177.343 175.800 0.293 0.000 1.136 113 F CA -0.743 57.373 58.000 0.193 0.000 1.171 113 F CB 0.847 39.907 39.000 0.099 0.000 1.230 113 F HN -0.201 nan 8.300 nan 0.000 0.554 114 V N -1.098 119.086 119.914 0.450 0.000 3.126 114 V HA 0.687 4.822 4.120 0.024 0.000 0.314 114 V C -2.782 173.469 176.094 0.262 0.000 1.138 114 V CA -2.941 59.545 62.300 0.310 0.000 1.034 114 V CB 1.367 33.437 31.823 0.412 0.000 1.075 114 V HN 0.474 nan 8.190 nan 0.000 0.442 115 P HA 0.156 nan 4.420 nan 0.000 0.265 115 P C 1.104 178.543 177.300 0.232 0.000 1.187 115 P CA 0.682 63.869 63.100 0.146 0.000 0.766 115 P CB 0.545 32.303 31.700 0.097 0.000 0.820 116 T N -0.905 113.757 114.554 0.181 0.000 2.867 116 T HA -0.124 4.241 4.350 0.024 0.000 0.268 116 T C 0.436 175.247 174.700 0.186 0.000 1.057 116 T CA 0.901 63.112 62.100 0.185 0.000 1.136 116 T CB -0.567 68.376 68.868 0.126 0.000 0.874 116 T HN 0.369 nan 8.240 nan 0.000 0.466 117 E N 2.601 122.913 120.200 0.186 0.000 1.941 117 E HA 0.337 4.702 4.350 0.024 0.000 0.275 117 E C -0.606 176.164 176.600 0.283 0.000 1.113 117 E CA -0.316 56.204 56.400 0.200 0.000 0.878 117 E CB 0.171 29.990 29.700 0.199 0.000 1.070 117 E HN 0.244 nan 8.360 nan 0.000 0.399 118 N N 4.265 123.106 118.700 0.236 0.000 2.664 118 N HA 0.244 4.999 4.740 0.024 0.000 0.257 118 N C -2.876 172.679 175.510 0.074 0.000 1.108 118 N CA -2.578 50.645 53.050 0.288 0.000 0.822 118 N CB 0.992 39.629 38.487 0.250 0.000 1.199 118 N HN 0.057 nan 8.380 nan 0.000 0.529 119 P HA -0.004 nan 4.420 nan 0.000 0.259 119 P C -0.822 176.387 177.300 -0.151 0.000 1.163 119 P CA 0.610 63.671 63.100 -0.066 0.000 0.760 119 P CB 0.434 32.405 31.700 0.452 0.000 0.762 120 T N 2.757 116.954 114.554 -0.594 0.000 2.812 120 T HA 0.574 4.938 4.350 0.024 0.000 0.282 120 T C 0.206 174.407 174.700 -0.832 0.000 0.990 120 T CA -0.575 61.242 62.100 -0.472 0.000 0.960 120 T CB 1.607 70.236 68.868 -0.398 0.000 0.948 120 T HN 0.338 nan 8.240 nan 0.000 0.438 121 G N 0.954 109.301 108.800 -0.755 0.000 2.370 121 G HA2 0.481 4.455 3.960 0.024 0.000 0.317 121 G HA3 0.481 4.455 3.960 0.024 0.000 0.317 121 G C -0.292 174.361 174.900 -0.412 0.000 1.162 121 G CA -0.379 44.139 45.100 -0.970 0.000 0.922 121 G HN 0.876 nan 8.290 nan 0.000 0.454 122 C N 3.231 122.089 119.300 -0.737 0.000 2.200 122 C HA 0.446 4.921 4.460 0.024 0.000 0.328 122 C C -0.472 174.505 174.990 -0.022 0.000 1.148 122 C CA -0.896 57.831 59.018 -0.485 0.000 1.624 122 C CB -1.803 25.187 27.740 -1.251 0.000 2.167 122 C HN 0.620 nan 8.230 nan 0.000 0.484 123 Y N 1.984 122.554 120.300 0.449 0.000 2.387 123 Y HA 0.615 5.180 4.550 0.024 0.000 0.330 123 Y C 0.839 177.185 175.900 0.744 0.000 1.133 123 Y CA -0.079 58.395 58.100 0.623 0.000 1.152 123 Y CB 1.474 40.289 38.460 0.591 0.000 1.215 123 Y HN 0.675 nan 8.280 nan 0.000 0.466 124 S N 2.280 118.465 115.700 0.809 0.000 2.579 124 S HA 0.817 5.302 4.470 0.024 0.000 0.272 124 S C -1.952 172.733 174.600 0.142 0.000 1.141 124 S CA -0.811 57.654 58.200 0.442 0.000 0.843 124 S CB 2.180 65.518 63.200 0.230 0.000 1.122 124 S HN 0.563 nan 8.310 nan 0.000 0.468 125 L N 0.931 122.051 121.223 -0.171 0.000 2.455 125 L HA 0.724 5.079 4.340 0.024 0.000 0.264 125 L C -1.025 175.790 176.870 -0.092 0.000 0.968 125 L CA 0.100 54.673 54.840 -0.445 0.000 0.827 125 L CB 2.280 43.554 42.059 -1.308 0.000 1.317 125 L HN 0.925 nan 8.230 nan 0.000 0.407 126 T N 5.767 120.296 114.554 -0.042 0.000 2.758 126 T HA 0.741 5.105 4.350 0.024 0.000 0.285 126 T C -0.768 174.006 174.700 0.124 0.000 0.981 126 T CA -0.001 62.121 62.100 0.038 0.000 0.965 126 T CB 0.199 69.053 68.868 -0.023 0.000 0.927 126 T HN 0.471 nan 8.240 nan 0.000 0.448 127 F N 0.887 120.743 119.950 -0.158 0.000 2.711 127 F HA 0.722 5.263 4.527 0.024 0.000 0.313 127 F C -0.866 174.860 175.800 -0.123 0.000 1.141 127 F CA -1.588 56.321 58.000 -0.151 0.000 0.941 127 F CB 1.350 40.238 39.000 -0.186 0.000 1.349 127 F HN 0.334 nan 8.300 nan 0.000 0.464 128 N N 0.295 118.916 118.700 -0.133 0.000 2.473 128 N HA 0.619 5.373 4.740 0.024 0.000 0.291 128 N C -1.853 173.522 175.510 -0.225 0.000 1.083 128 N CA -0.396 52.520 53.050 -0.224 0.000 0.951 128 N CB 1.869 40.285 38.487 -0.119 0.000 1.164 128 N HN 0.647 nan 8.380 nan 0.000 0.480 129 V N 2.341 122.089 119.914 -0.275 0.000 2.531 129 V HA 0.230 4.364 4.120 0.024 0.000 0.301 129 V C -0.548 175.433 176.094 -0.188 0.000 1.034 129 V CA -0.914 61.242 62.300 -0.239 0.000 0.865 129 V CB 1.431 33.160 31.823 -0.156 0.000 0.995 129 V HN 0.776 nan 8.190 nan 0.000 0.424 130 D N 2.386 122.638 120.400 -0.248 0.000 2.389 130 D HA 0.137 4.792 4.640 0.024 0.000 0.247 130 D C 1.175 177.489 176.300 0.023 0.000 1.128 130 D CA -0.058 53.875 54.000 -0.111 0.000 0.884 130 D CB 1.357 42.086 40.800 -0.119 0.000 1.194 130 D HN 0.714 nan 8.370 nan 0.000 0.441 131 E N 1.762 121.982 120.200 0.033 0.000 2.219 131 E HA -0.243 4.121 4.350 0.024 0.000 0.198 131 E C 1.549 178.222 176.600 0.121 0.000 0.998 131 E CA 1.834 58.275 56.400 0.069 0.000 0.818 131 E CB -0.107 29.616 29.700 0.039 0.000 0.741 131 E HN 0.462 nan 8.360 nan 0.000 0.477 132 S N -1.210 114.576 115.700 0.143 0.000 2.442 132 S HA -0.146 4.339 4.470 0.024 0.000 0.236 132 S C 1.587 176.288 174.600 0.169 0.000 1.007 132 S CA 0.825 59.108 58.200 0.139 0.000 0.965 132 S CB -0.649 62.632 63.200 0.136 0.000 0.773 132 S HN 0.418 nan 8.310 nan 0.000 0.504 133 W N 1.520 122.774 121.300 -0.076 0.000 2.576 133 W HA 0.421 5.095 4.660 0.024 0.000 0.270 133 W C 1.909 178.506 176.519 0.130 0.000 1.255 133 W CA -0.224 57.077 57.345 -0.072 0.000 1.314 133 W CB -0.347 29.129 29.460 0.026 0.000 1.101 133 W HN 0.284 nan 8.180 nan 0.000 0.595 134 L N 0.131 121.533 121.223 0.298 0.000 2.354 134 L HA -0.052 4.302 4.340 0.024 0.000 0.212 134 L C 2.551 179.509 176.870 0.146 0.000 1.091 134 L CA 0.767 55.734 54.840 0.212 0.000 0.828 134 L CB -0.880 41.272 42.059 0.155 0.000 0.973 134 L HN 0.048 nan 8.230 nan 0.000 0.461 135 Q N 0.241 120.114 119.800 0.122 0.000 2.364 135 Q HA 0.003 4.358 4.340 0.024 0.000 0.207 135 Q C -0.072 175.977 176.000 0.081 0.000 0.970 135 Q CA 0.857 56.709 55.803 0.083 0.000 0.888 135 Q CB 0.286 29.060 28.738 0.060 0.000 0.951 135 Q HN 0.437 nan 8.270 nan 0.000 0.469 136 E N -0.652 119.616 120.200 0.114 0.000 2.430 136 E HA 0.485 4.849 4.350 0.024 0.000 0.279 136 E C -0.306 176.393 176.600 0.165 0.000 1.003 136 E CA -0.088 56.373 56.400 0.102 0.000 0.801 136 E CB 1.833 31.581 29.700 0.079 0.000 1.313 136 E HN 0.266 nan 8.360 nan 0.000 0.459 137 G N 1.176 110.018 108.800 0.070 0.000 2.741 137 G HA2 -0.246 3.729 3.960 0.024 0.000 0.222 137 G HA3 -0.246 3.729 3.960 0.024 0.000 0.222 137 G C -0.663 174.151 174.900 -0.144 0.000 1.364 137 G CA -0.054 45.005 45.100 -0.068 0.000 0.866 137 G HN 0.486 nan 8.290 nan 0.000 0.555 138 Q N -0.494 119.067 119.800 -0.399 0.000 2.330 138 Q HA 0.628 4.983 4.340 0.024 0.000 0.269 138 Q C -0.937 174.891 176.000 -0.287 0.000 1.022 138 Q CA -0.498 55.166 55.803 -0.232 0.000 0.796 138 Q CB 1.518 30.157 28.738 -0.166 0.000 1.271 138 Q HN 0.616 nan 8.270 nan 0.000 0.450 139 T N 5.095 119.649 114.554 0.001 0.000 2.756 139 T HA 0.448 4.813 4.350 0.024 0.000 0.290 139 T C -0.552 174.255 174.700 0.179 0.000 0.985 139 T CA -0.592 61.608 62.100 0.166 0.000 0.955 139 T CB 0.407 69.510 68.868 0.392 0.000 0.930 139 T HN 0.607 nan 8.240 nan 0.000 0.451 140 R N 2.949 123.542 120.500 0.155 0.000 2.832 140 R HA 0.789 5.144 4.340 0.024 0.000 0.271 140 R C -1.030 175.369 176.300 0.166 0.000 0.996 140 R CA -1.002 55.193 56.100 0.158 0.000 0.977 140 R CB 1.533 31.898 30.300 0.109 0.000 1.168 140 R HN 0.559 nan 8.270 nan 0.000 0.482 141 I N 2.200 122.872 120.570 0.171 0.000 2.493 141 I HA 0.458 4.643 4.170 0.024 0.000 0.298 141 I C -1.170 174.983 176.117 0.060 0.000 0.998 141 I CA -1.328 60.022 61.300 0.083 0.000 1.137 141 I CB 1.444 39.500 38.000 0.093 0.000 1.310 141 I HN 0.634 nan 8.210 nan 0.000 0.445 142 I N 7.178 127.677 120.570 -0.119 0.000 2.447 142 I HA 0.302 4.486 4.170 0.024 0.000 0.287 142 I C -1.295 174.628 176.117 -0.322 0.000 1.023 142 I CA -0.351 60.888 61.300 -0.101 0.000 1.083 142 I CB 1.535 39.498 38.000 -0.062 0.000 1.245 142 I HN 0.395 nan 8.210 nan 0.000 0.434 143 F N 4.540 124.473 119.950 -0.029 0.000 2.332 143 F HA 0.277 4.818 4.527 0.024 0.000 0.368 143 F C 1.279 176.969 175.800 -0.184 0.000 1.110 143 F CA -0.424 57.490 58.000 -0.144 0.000 1.087 143 F CB 0.881 39.764 39.000 -0.194 0.000 1.235 143 F HN 0.465 nan 8.300 nan 0.000 0.470 144 D N 2.351 122.665 120.400 -0.144 0.000 2.269 144 D HA 0.057 4.711 4.640 0.024 0.000 0.208 144 D C 0.969 177.113 176.300 -0.262 0.000 0.963 144 D CA 0.831 54.708 54.000 -0.205 0.000 0.864 144 D CB 0.436 41.052 40.800 -0.307 0.000 0.936 144 D HN 0.620 nan 8.370 nan 0.000 0.505 145 G N -0.340 108.248 108.800 -0.354 0.000 2.552 145 G HA2 0.451 4.425 3.960 0.024 0.000 0.288 145 G HA3 0.451 4.425 3.960 0.024 0.000 0.288 145 G C -1.450 173.235 174.900 -0.358 0.000 1.358 145 G CA -0.379 44.406 45.100 -0.525 0.000 1.305 145 G HN -0.063 nan 8.290 nan 0.000 0.602 146 V N 2.536 122.445 119.914 -0.008 0.000 2.569 146 V HA 0.510 4.644 4.120 0.024 0.000 0.301 146 V C -0.931 175.256 176.094 0.156 0.000 1.044 146 V CA -1.186 61.103 62.300 -0.019 0.000 0.874 146 V CB 1.961 33.520 31.823 -0.440 0.000 1.002 146 V HN 0.709 nan 8.190 nan 0.000 0.424 147 N N 2.475 121.252 118.700 0.129 0.000 2.446 147 N HA 0.339 5.093 4.740 0.024 0.000 0.265 147 N C 0.622 176.057 175.510 -0.126 0.000 0.975 147 N CA 0.236 53.259 53.050 -0.045 0.000 0.928 147 N CB 2.239 40.526 38.487 -0.335 0.000 1.160 147 N HN 0.692 nan 8.380 nan 0.000 0.495 148 S N 2.118 117.781 115.700 -0.061 0.000 2.520 148 S HA 0.550 5.034 4.470 0.024 0.000 0.219 148 S C 0.303 174.960 174.600 0.094 0.000 1.028 148 S CA 0.174 58.388 58.200 0.023 0.000 0.921 148 S CB 0.307 63.528 63.200 0.035 0.000 0.844 148 S HN 0.660 nan 8.310 nan 0.000 0.495 149 A N 0.743 123.633 122.820 0.116 0.000 2.604 149 A HA 0.758 5.093 4.320 0.024 0.000 0.295 149 A C -1.256 176.432 177.584 0.173 0.000 1.067 149 A CA -0.961 51.120 52.037 0.073 0.000 0.683 149 A CB 0.830 19.899 19.000 0.115 0.000 1.281 149 A HN 1.103 nan 8.150 nan 0.000 0.407 150 F N -0.521 119.254 119.950 -0.291 0.000 2.693 150 F HA 0.757 5.298 4.527 0.024 0.000 0.309 150 F C -1.081 174.615 175.800 -0.173 0.000 1.129 150 F CA -0.821 57.097 58.000 -0.137 0.000 0.948 150 F CB 1.180 40.083 39.000 -0.161 0.000 1.315 150 F HN 0.628 nan 8.300 nan 0.000 0.447 151 H N 1.729 120.959 119.070 0.267 0.000 2.529 151 H HA 0.695 5.265 4.556 0.024 0.000 0.348 151 H C -1.459 173.851 175.328 -0.030 0.000 1.152 151 H CA -0.756 55.310 56.048 0.030 0.000 1.202 151 H CB 2.560 32.348 29.762 0.043 0.000 1.562 151 H HN 0.765 nan 8.280 nan 0.000 0.515 152 L N 2.795 123.793 121.223 -0.375 0.000 2.362 152 L HA 0.396 4.750 4.340 0.024 0.000 0.275 152 L C -1.553 174.956 176.870 -0.601 0.000 0.998 152 L CA -0.464 54.184 54.840 -0.321 0.000 0.820 152 L CB 1.296 43.058 42.059 -0.495 0.000 1.270 152 L HN 0.510 nan 8.230 nan 0.000 0.415 153 W N 4.237 125.488 121.300 -0.082 0.000 2.864 153 W HA 0.616 5.291 4.660 0.025 0.000 0.343 153 W C -1.162 175.289 176.519 -0.113 0.000 1.109 153 W CA -0.835 56.447 57.345 -0.104 0.000 1.192 153 W CB 2.065 31.508 29.460 -0.029 0.000 1.426 153 W HN 0.604 nan 8.180 nan 0.000 0.529 154 C N 4.244 123.622 119.300 0.130 0.000 2.446 154 C HA 0.293 4.768 4.460 0.024 0.000 0.329 154 C C 0.159 175.261 174.990 0.187 0.000 1.166 154 C CA -0.391 58.700 59.018 0.122 0.000 1.341 154 C CB -0.520 27.237 27.740 0.029 0.000 1.970 154 C HN 0.815 nan 8.230 nan 0.000 0.452 155 N N 3.709 122.481 118.700 0.120 0.000 2.727 155 N HA -0.193 4.562 4.740 0.024 0.000 0.249 155 N C 0.996 176.568 175.510 0.102 0.000 1.048 155 N CA 1.945 55.045 53.050 0.083 0.000 0.714 155 N CB -1.365 37.168 38.487 0.077 0.000 0.959 155 N HN 1.902 nan 8.380 nan 0.000 0.544 156 G N -1.091 107.763 108.800 0.090 0.000 2.205 156 G HA2 -0.378 3.596 3.960 0.024 0.000 0.261 156 G HA3 -0.378 3.596 3.960 0.024 0.000 0.261 156 G C 0.125 175.194 174.900 0.282 0.000 0.980 156 G CA 0.704 45.852 45.100 0.080 0.000 0.632 156 G HN 0.577 nan 8.290 nan 0.000 0.533 157 R N -0.930 119.795 120.500 0.374 0.000 2.346 157 R HA 0.435 4.790 4.340 0.024 0.000 0.311 157 R C -0.182 176.407 176.300 0.481 0.000 0.983 157 R CA -0.868 55.519 56.100 0.479 0.000 0.880 157 R CB 1.056 31.645 30.300 0.483 0.000 1.100 157 R HN 0.215 nan 8.270 nan 0.000 0.453 158 W N 3.663 125.101 121.300 0.230 0.000 2.251 158 W HA 0.065 4.739 4.660 0.024 0.000 0.327 158 W C 0.125 176.496 176.519 -0.247 0.000 1.361 158 W CA 0.079 57.251 57.345 -0.290 0.000 1.234 158 W CB 0.678 29.974 29.460 -0.273 0.000 1.212 158 W HN 0.344 nan 8.180 nan 0.000 0.557 159 V N 5.358 124.455 119.914 -1.361 0.000 2.908 159 V HA 0.524 4.658 4.120 0.024 0.000 0.240 159 V C 1.066 176.106 176.094 -1.757 0.000 1.117 159 V CA 1.019 62.484 62.300 -1.390 0.000 1.133 159 V CB -0.328 30.727 31.823 -1.280 0.000 0.857 159 V HN 0.842 nan 8.190 nan 0.000 0.478 160 G N -1.563 105.905 108.800 -2.221 0.000 2.321 160 G HA2 0.429 4.403 3.960 0.024 0.000 0.296 160 G HA3 0.429 4.403 3.960 0.024 0.000 0.296 160 G C -2.405 171.979 174.900 -0.860 0.000 1.287 160 G CA -0.215 43.994 45.100 -1.485 0.000 0.846 160 G HN 0.026 nan 8.290 nan 0.000 0.508 161 Y N -0.481 119.504 120.300 -0.524 0.000 2.571 161 Y HA 0.736 5.300 4.550 0.024 0.000 0.341 161 Y C -0.051 175.579 175.900 -0.450 0.000 1.076 161 Y CA -0.001 57.742 58.100 -0.595 0.000 1.029 161 Y CB 2.140 40.439 38.460 -0.267 0.000 1.308 161 Y HN 1.366 nan 8.280 nan 0.000 0.461 162 G N 3.267 111.168 108.800 -1.498 0.000 2.704 162 G HA2 0.593 4.567 3.960 0.024 0.000 0.293 162 G HA3 0.593 4.567 3.960 0.024 0.000 0.293 162 G C -2.133 172.301 174.900 -0.777 0.000 1.421 162 G CA -0.910 43.679 45.100 -0.853 0.000 0.870 162 G HN 0.640 nan 8.290 nan 0.000 0.492 163 Q N -0.474 119.133 119.800 -0.322 0.000 2.668 163 Q HA 0.585 4.939 4.340 0.024 0.000 0.298 163 Q C -1.440 174.564 176.000 0.006 0.000 1.071 163 Q CA -0.847 54.892 55.803 -0.107 0.000 0.789 163 Q CB 2.668 31.393 28.738 -0.021 0.000 1.497 163 Q HN 0.642 nan 8.270 nan 0.000 0.460 164 D N -0.142 120.297 120.400 0.064 0.000 4.303 164 D HA -0.097 4.558 4.640 0.024 0.000 0.230 164 D C -0.535 175.832 176.300 0.111 0.000 1.172 164 D CA 0.399 54.452 54.000 0.088 0.000 1.001 164 D CB -0.648 40.188 40.800 0.060 0.000 0.641 164 D HN 0.524 nan 8.370 nan 0.000 0.296 165 S N 2.930 118.707 115.700 0.129 0.000 2.547 165 S HA -0.068 4.417 4.470 0.024 0.000 0.235 165 S C 1.548 176.294 174.600 0.244 0.000 0.980 165 S CA 0.580 58.888 58.200 0.180 0.000 0.941 165 S CB 0.208 63.463 63.200 0.093 0.000 0.763 165 S HN 0.432 nan 8.310 nan 0.000 0.532 166 R N 0.021 120.622 120.500 0.169 0.000 2.565 166 R HA 0.420 4.774 4.340 0.024 0.000 0.347 166 R C -0.358 176.011 176.300 0.114 0.000 1.010 166 R CA 0.049 56.253 56.100 0.174 0.000 1.126 166 R CB 0.256 30.682 30.300 0.209 0.000 1.331 166 R HN 0.313 nan 8.270 nan 0.000 0.552 167 L N 1.479 122.740 121.223 0.063 0.000 2.350 167 L HA 0.530 4.885 4.340 0.024 0.000 0.260 167 L C -2.374 174.479 176.870 -0.028 0.000 1.015 167 L CA -2.302 52.544 54.840 0.010 0.000 0.821 167 L CB 2.911 44.968 42.059 -0.005 0.000 1.370 167 L HN -0.204 nan 8.230 nan 0.000 0.416 168 P HA 0.129 nan 4.420 nan 0.000 0.275 168 P C -1.089 176.181 177.300 -0.050 0.000 1.228 168 P CA -0.262 62.795 63.100 -0.072 0.000 0.786 168 P CB 1.158 32.778 31.700 -0.133 0.000 0.927 169 S N 1.538 117.267 115.700 0.047 0.000 2.478 169 S HA 0.365 4.849 4.470 0.024 0.000 0.312 169 S C -0.517 174.021 174.600 -0.104 0.000 1.094 169 S CA -0.578 57.607 58.200 -0.025 0.000 1.081 169 S CB 0.971 64.323 63.200 0.253 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.475 170 E N 1.779 121.701 120.200 -0.463 0.000 2.266 170 E HA 0.590 4.955 4.350 0.024 0.000 0.268 170 E C -1.474 174.711 176.600 -0.693 0.000 0.879 170 E CA -0.565 55.647 56.400 -0.313 0.000 0.762 170 E CB 1.799 31.438 29.700 -0.101 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.457 120.473 119.950 0.110 0.000 2.576 171 F HA 0.229 4.771 4.527 0.025 0.000 0.313 171 F C -0.007 175.829 175.800 0.060 0.000 1.078 171 F CA -1.079 56.948 58.000 0.046 0.000 0.921 171 F CB 1.569 40.561 39.000 -0.013 0.000 1.232 171 F HN 0.282 nan 8.300 nan 0.000 0.459 172 D N 2.446 122.990 120.400 0.239 0.000 2.325 172 D HA 0.232 4.886 4.640 0.024 0.000 0.251 172 D C 0.286 176.745 176.300 0.265 0.000 1.196 172 D CA 0.267 54.390 54.000 0.204 0.000 0.866 172 D CB 1.003 41.904 40.800 0.167 0.000 1.101 172 D HN 0.549 nan 8.370 nan 0.000 0.476 173 L N 2.782 124.163 121.223 0.265 0.000 2.667 173 L HA 0.034 4.389 4.340 0.024 0.000 0.232 173 L C 2.144 179.244 176.870 0.384 0.000 1.138 173 L CA -0.193 54.852 54.840 0.341 0.000 0.921 173 L CB 0.054 42.275 42.059 0.270 0.000 1.180 173 L HN 0.270 nan 8.230 nan 0.000 0.487 174 S N 1.432 117.298 115.700 0.276 0.000 2.381 174 S HA -0.276 4.209 4.470 0.024 0.000 0.230 174 S C 1.941 176.634 174.600 0.154 0.000 1.052 174 S CA 1.934 60.250 58.200 0.194 0.000 1.068 174 S CB -0.144 63.129 63.200 0.122 0.000 0.918 174 S HN 0.569 nan 8.310 nan 0.000 0.448 175 A N -0.853 122.034 122.820 0.111 0.000 2.275 175 A HA 0.420 4.755 4.320 0.024 0.000 0.212 175 A C 1.166 178.629 177.584 -0.201 0.000 1.201 175 A CA 0.039 52.024 52.037 -0.087 0.000 0.843 175 A CB -0.341 18.519 19.000 -0.234 0.000 0.873 175 A HN 0.464 nan 8.150 nan 0.000 0.492 176 F N -0.689 119.301 119.950 0.068 0.000 2.694 176 F HA 0.363 4.904 4.527 0.024 0.000 0.292 176 F C 0.730 176.563 175.800 0.056 0.000 1.121 176 F CA -0.128 57.910 58.000 0.062 0.000 1.352 176 F CB 0.109 39.151 39.000 0.070 0.000 1.107 176 F HN -0.015 nan 8.300 nan 0.000 0.597 177 L N 1.093 122.461 121.223 0.242 0.000 2.456 177 L HA 0.450 4.805 4.340 0.024 0.000 0.257 177 L C 0.192 177.102 176.870 0.065 0.000 1.162 177 L CA -0.662 54.260 54.840 0.138 0.000 0.808 177 L CB 0.890 43.040 42.059 0.151 0.000 1.136 177 L HN 0.041 nan 8.230 nan 0.000 0.466 178 R N 0.960 121.462 120.500 0.004 0.000 2.807 178 R HA 0.794 5.148 4.340 0.024 0.000 0.276 178 R C -0.995 175.280 176.300 -0.042 0.000 0.979 178 R CA -0.905 55.187 56.100 -0.013 0.000 0.928 178 R CB 1.487 31.771 30.300 -0.026 0.000 1.191 178 R HN 0.550 nan 8.270 nan 0.000 0.471 179 A N 1.498 124.304 122.820 -0.023 0.000 2.520 179 A HA 0.500 4.834 4.320 0.024 0.000 0.245 179 A C 1.033 178.573 177.584 -0.074 0.000 1.072 179 A CA 1.011 53.026 52.037 -0.037 0.000 0.761 179 A CB -0.745 18.247 19.000 -0.014 0.000 1.004 179 A HN 1.322 nan 8.150 nan 0.000 0.499 180 G N 1.647 110.382 108.800 -0.109 0.000 2.516 180 G HA2 -0.104 3.870 3.960 0.024 0.000 0.220 180 G HA3 -0.104 3.870 3.960 0.024 0.000 0.220 180 G C -0.420 174.359 174.900 -0.201 0.000 1.165 180 G CA -0.158 44.865 45.100 -0.127 0.000 1.013 180 G HN 0.861 nan 8.290 nan 0.000 0.590 181 E N 2.230 122.321 120.200 -0.182 0.000 2.290 181 E HA 0.364 4.729 4.350 0.024 0.000 0.277 181 E C 0.037 176.462 176.600 -0.293 0.000 1.035 181 E CA 0.032 56.292 56.400 -0.233 0.000 0.873 181 E CB 0.629 30.237 29.700 -0.152 0.000 1.029 181 E HN 0.452 nan 8.360 nan 0.000 0.419 182 N N 2.294 120.697 118.700 -0.495 0.000 2.321 182 N HA 0.392 5.146 4.740 0.024 0.000 0.290 182 N C -0.721 174.579 175.510 -0.350 0.000 1.212 182 N CA -0.647 52.106 53.050 -0.494 0.000 0.767 182 N CB 2.725 40.748 38.487 -0.772 0.000 1.494 182 N HN 0.222 nan 8.380 nan 0.000 0.479 183 R N 1.513 121.950 120.500 -0.105 0.000 2.532 183 R HA 0.485 4.839 4.340 0.024 0.000 0.297 183 R C -1.268 175.098 176.300 0.110 0.000 0.984 183 R CA -0.483 55.632 56.100 0.024 0.000 0.884 183 R CB 1.099 31.370 30.300 -0.048 0.000 1.182 183 R HN 0.483 nan 8.270 nan 0.000 0.442 184 L N 3.019 124.350 121.223 0.181 0.000 2.325 184 L HA 0.727 5.082 4.340 0.024 0.000 0.279 184 L C -0.267 176.669 176.870 0.110 0.000 1.054 184 L CA -0.784 54.165 54.840 0.182 0.000 0.804 184 L CB 1.931 44.104 42.059 0.189 0.000 1.200 184 L HN 0.738 nan 8.230 nan 0.000 0.436 185 A N 3.203 126.105 122.820 0.135 0.000 2.353 185 A HA 0.755 5.090 4.320 0.024 0.000 0.299 185 A C -1.091 176.782 177.584 0.482 0.000 1.089 185 A CA -0.453 51.577 52.037 -0.012 0.000 0.736 185 A CB 1.508 20.003 19.000 -0.842 0.000 1.195 185 A HN 0.372 nan 8.150 nan 0.000 0.447 186 V N 3.431 123.790 119.914 0.742 0.000 2.443 186 V HA 0.438 4.572 4.120 0.024 0.000 0.293 186 V C -0.107 176.509 176.094 0.870 0.000 1.021 186 V CA -0.278 62.458 62.300 0.726 0.000 0.848 186 V CB 1.505 33.565 31.823 0.395 0.000 0.998 186 V HN 0.965 nan 8.190 nan 0.000 0.424 187 M N 5.916 126.061 119.600 0.908 0.000 2.069 187 M HA 0.506 5.000 4.480 0.024 0.000 0.349 187 M C -1.302 175.251 176.300 0.421 0.000 1.194 187 M CA -0.361 55.286 55.300 0.578 0.000 1.081 187 M CB 0.994 33.976 32.600 0.637 0.000 1.500 187 M HN 0.477 nan 8.290 nan 0.000 0.438 188 V N 6.971 127.089 119.914 0.340 0.000 2.364 188 V HA 0.335 4.469 4.120 0.024 0.000 0.272 188 V C -0.046 176.210 176.094 0.271 0.000 1.036 188 V CA -0.549 61.959 62.300 0.346 0.000 0.880 188 V CB 1.171 33.315 31.823 0.533 0.000 0.991 188 V HN 0.784 nan 8.190 nan 0.000 0.460 189 L N 5.146 126.461 121.223 0.153 0.000 2.289 189 L HA 0.518 4.873 4.340 0.024 0.000 0.285 189 L C 1.537 178.419 176.870 0.020 0.000 1.049 189 L CA -0.337 54.519 54.840 0.026 0.000 0.804 189 L CB 1.150 43.124 42.059 -0.143 0.000 1.195 189 L HN 0.604 nan 8.230 nan 0.000 0.428 190 R N 2.636 123.089 120.500 -0.077 0.000 2.066 190 R HA -0.036 4.318 4.340 0.024 0.000 0.232 190 R C -0.366 175.571 176.300 -0.605 0.000 1.131 190 R CA 1.166 56.975 56.100 -0.484 0.000 0.955 190 R CB 0.213 30.060 30.300 -0.755 0.000 0.851 190 R HN 0.572 nan 8.270 nan 0.000 0.432 191 W N 0.268 121.635 121.300 0.111 0.000 2.606 191 W HA 0.418 5.092 4.660 0.024 0.000 0.332 191 W C -0.328 176.309 176.519 0.198 0.000 1.052 191 W CA -0.813 56.604 57.345 0.121 0.000 1.223 191 W CB 1.796 31.331 29.460 0.124 0.000 1.383 191 W HN 0.028 nan 8.180 nan 0.000 0.524 192 S N -1.007 114.978 115.700 0.475 0.000 2.688 192 S HA 0.222 4.707 4.470 0.024 0.000 0.275 192 S C 0.100 174.964 174.600 0.440 0.000 1.175 192 S CA -0.454 58.042 58.200 0.493 0.000 0.818 192 S CB 1.180 64.636 63.200 0.426 0.000 1.157 192 S HN 0.625 nan 8.310 nan 0.000 0.482 193 D N 0.443 121.105 120.400 0.437 0.000 2.263 193 D HA 0.063 4.718 4.640 0.024 0.000 0.208 193 D C 1.781 178.409 176.300 0.546 0.000 0.971 193 D CA 1.186 55.496 54.000 0.517 0.000 0.867 193 D CB -0.709 40.266 40.800 0.291 0.000 0.929 193 D HN 0.704 nan 8.370 nan 0.000 0.492 194 G N 0.114 109.146 108.800 0.387 0.000 2.470 194 G HA2 -0.252 3.723 3.960 0.024 0.000 0.220 194 G HA3 -0.252 3.723 3.960 0.024 0.000 0.220 194 G C 1.665 176.751 174.900 0.310 0.000 1.121 194 G CA 0.685 45.983 45.100 0.330 0.000 0.766 194 G HN 0.311 nan 8.290 nan 0.000 0.553 195 S N -0.145 115.726 115.700 0.285 0.000 2.442 195 S HA -0.079 4.405 4.470 0.024 0.000 0.236 195 S C 1.806 176.501 174.600 0.158 0.000 1.007 195 S CA 0.579 58.912 58.200 0.222 0.000 0.965 195 S CB -0.363 62.979 63.200 0.236 0.000 0.773 195 S HN 0.561 nan 8.310 nan 0.000 0.504 196 Y N 0.993 121.413 120.300 0.200 0.000 2.509 196 Y HA 0.145 4.709 4.550 0.024 0.000 0.293 196 Y C 1.553 177.540 175.900 0.145 0.000 1.133 196 Y CA 0.572 58.712 58.100 0.067 0.000 1.283 196 Y CB -0.155 38.159 38.460 -0.244 0.000 1.001 196 Y HN 0.199 nan 8.280 nan 0.000 0.555 197 L N -0.388 121.010 121.223 0.291 0.000 2.667 197 L HA 0.133 4.488 4.340 0.024 0.000 0.232 197 L C 0.135 177.131 176.870 0.209 0.000 1.138 197 L CA 0.407 55.379 54.840 0.219 0.000 0.921 197 L CB 0.146 42.343 42.059 0.231 0.000 1.180 197 L HN 0.111 nan 8.230 nan 0.000 0.487 198 E N 0.061 120.395 120.200 0.224 0.000 3.582 198 E HA 0.038 4.402 4.350 0.024 0.000 0.217 198 E C -0.488 176.204 176.600 0.154 0.000 1.092 198 E CA -0.064 56.452 56.400 0.193 0.000 1.365 198 E CB 0.477 30.287 29.700 0.183 0.000 1.278 198 E HN 0.040 nan 8.360 nan 0.000 0.439 199 D N 1.113 121.557 120.400 0.075 0.000 2.706 199 D HA 0.036 4.691 4.640 0.024 0.000 0.236 199 D C -0.270 175.990 176.300 -0.068 0.000 1.231 199 D CA -0.167 53.767 54.000 -0.110 0.000 0.828 199 D CB 0.142 40.620 40.800 -0.536 0.000 1.015 199 D HN 0.036 nan 8.370 nan 0.000 0.484 200 Q N 0.508 120.368 119.800 0.099 0.000 2.392 200 Q HA 0.128 4.483 4.340 0.024 0.000 0.262 200 Q C -0.140 175.956 176.000 0.159 0.000 1.003 200 Q CA -0.006 55.922 55.803 0.208 0.000 0.888 200 Q CB 0.684 29.713 28.738 0.485 0.000 1.260 200 Q HN 0.080 nan 8.270 nan 0.000 0.435 201 D N 3.393 123.897 120.400 0.172 0.000 2.441 201 D HA 0.146 4.801 4.640 0.024 0.000 0.243 201 D C -0.766 175.679 176.300 0.242 0.000 1.257 201 D CA 0.179 54.269 54.000 0.149 0.000 1.027 201 D CB -0.415 40.461 40.800 0.127 0.000 1.084 201 D HN 0.506 nan 8.370 nan 0.000 0.514 202 M N 0.353 120.069 119.600 0.192 0.000 3.084 202 M HA 0.398 4.893 4.480 0.024 0.000 0.273 202 M C -1.257 175.126 176.300 0.138 0.000 1.242 202 M CA -1.194 54.144 55.300 0.063 0.000 0.819 202 M CB 0.991 33.571 32.600 -0.034 0.000 1.625 202 M HN -0.103 nan 8.290 nan 0.000 0.493 203 W N 2.006 123.384 121.300 0.130 0.000 2.223 203 W HA 0.303 4.977 4.660 0.024 0.000 0.334 203 W C 0.253 176.794 176.519 0.036 0.000 1.334 203 W CA 0.093 57.511 57.345 0.122 0.000 1.246 203 W CB 0.305 29.778 29.460 0.023 0.000 1.184 203 W HN 0.278 nan 8.180 nan 0.000 0.563 204 R N 4.819 125.501 120.500 0.304 0.000 2.204 204 R HA 0.418 4.773 4.340 0.024 0.000 0.341 204 R C -0.099 176.217 176.300 0.027 0.000 1.035 204 R CA -0.204 55.994 56.100 0.163 0.000 0.887 204 R CB 0.137 30.596 30.300 0.265 0.000 1.114 204 R HN 0.562 nan 8.270 nan 0.000 0.473 205 M N 0.161 119.664 119.600 -0.162 0.000 2.777 205 M HA 0.516 5.010 4.480 0.024 0.000 0.288 205 M C 0.002 175.959 176.300 -0.572 0.000 1.181 205 M CA -0.818 54.271 55.300 -0.352 0.000 0.758 205 M CB 2.299 34.693 32.600 -0.344 0.000 1.757 205 M HN 0.637 nan 8.290 nan 0.000 0.453 206 S N -1.258 113.967 115.700 -0.793 0.000 2.636 206 S HA 0.952 5.436 4.470 0.024 0.000 0.268 206 S C -0.572 173.520 174.600 -0.846 0.000 1.159 206 S CA -0.152 57.502 58.200 -0.910 0.000 0.815 206 S CB 1.702 64.192 63.200 -1.184 0.000 1.130 206 S HN 1.507 nan 8.310 nan 0.000 0.471 207 G N -0.129 108.410 108.800 -0.434 0.000 2.343 207 G HA2 0.152 4.127 3.960 0.024 0.000 0.562 207 G HA3 0.152 4.127 3.960 0.024 0.000 0.562 207 G C -1.386 173.529 174.900 0.024 0.000 1.269 207 G CA -0.588 44.581 45.100 0.116 0.000 1.011 207 G HN 1.185 nan 8.290 nan 0.000 0.498 208 I N 2.014 122.456 120.570 -0.215 0.000 2.256 208 I HA 0.295 4.479 4.170 0.024 0.000 0.294 208 I C 1.110 177.106 176.117 -0.201 0.000 1.127 208 I CA -0.211 60.864 61.300 -0.375 0.000 1.247 208 I CB -0.148 37.354 38.000 -0.830 0.000 1.460 208 I HN 0.523 nan 8.210 nan 0.000 0.511 209 F N 4.260 124.068 119.950 -0.238 0.000 2.695 209 F HA 0.458 4.999 4.527 0.024 0.000 0.303 209 F C 0.655 176.379 175.800 -0.126 0.000 1.091 209 F CA -0.670 57.222 58.000 -0.179 0.000 1.300 209 F CB 0.127 39.024 39.000 -0.171 0.000 1.071 209 F HN 0.127 nan 8.300 nan 0.000 0.578 210 R N 0.861 120.882 120.500 -0.797 0.000 2.902 210 R HA 0.260 4.615 4.340 0.024 0.000 0.258 210 R C -0.632 175.445 176.300 -0.372 0.000 1.071 210 R CA -1.138 54.603 56.100 -0.598 0.000 1.024 210 R CB 0.734 30.628 30.300 -0.678 0.000 1.184 210 R HN -0.001 nan 8.270 nan 0.000 0.492 211 D N 0.666 120.893 120.400 -0.289 0.000 2.419 211 D HA 0.094 4.748 4.640 0.024 0.000 0.236 211 D C -0.364 175.783 176.300 -0.255 0.000 1.165 211 D CA 0.338 54.209 54.000 -0.215 0.000 0.882 211 D CB 0.775 41.485 40.800 -0.151 0.000 1.201 211 D HN -0.016 nan 8.370 nan 0.000 0.443 212 V N 0.830 120.603 119.914 -0.236 0.000 2.540 212 V HA 0.559 4.693 4.120 0.024 0.000 0.302 212 V C 0.038 176.005 176.094 -0.213 0.000 1.035 212 V CA -0.500 61.600 62.300 -0.334 0.000 0.873 212 V CB 1.706 33.338 31.823 -0.317 0.000 0.992 212 V HN 0.799 nan 8.190 nan 0.000 0.428 213 S N 4.489 120.048 115.700 -0.236 0.000 2.625 213 S HA 0.821 5.305 4.470 0.024 0.000 0.271 213 S C -1.427 173.123 174.600 -0.083 0.000 1.161 213 S CA -0.936 57.194 58.200 -0.117 0.000 0.820 213 S CB 1.820 64.986 63.200 -0.056 0.000 1.137 213 S HN 0.459 nan 8.310 nan 0.000 0.470 214 L N 1.353 122.592 121.223 0.027 0.000 2.362 214 L HA 0.691 5.045 4.340 0.024 0.000 0.275 214 L C -1.519 175.519 176.870 0.281 0.000 0.998 214 L CA -0.877 54.058 54.840 0.159 0.000 0.820 214 L CB 1.773 43.954 42.059 0.204 0.000 1.270 214 L HN 0.704 nan 8.230 nan 0.000 0.415 215 L N 3.347 124.712 121.223 0.238 0.000 2.356 215 L HA 0.474 4.828 4.340 0.024 0.000 0.277 215 L C -0.704 176.184 176.870 0.030 0.000 0.996 215 L CA -0.128 54.794 54.840 0.136 0.000 0.822 215 L CB 1.464 43.571 42.059 0.080 0.000 1.256 215 L HN 0.480 nan 8.230 nan 0.000 0.413 216 H N 5.294 124.176 119.070 -0.312 0.000 2.488 216 H HA 0.489 5.059 4.556 0.024 0.000 0.322 216 H C -1.250 173.877 175.328 -0.335 0.000 1.078 216 H CA -0.513 55.213 56.048 -0.536 0.000 1.260 216 H CB 1.132 30.090 29.762 -1.340 0.000 1.425 216 H HN 0.541 nan 8.280 nan 0.000 0.471 217 K N 5.603 125.600 120.400 -0.672 0.000 2.375 217 K HA 0.365 4.700 4.320 0.024 0.000 0.249 217 K C -2.743 173.597 176.600 -0.434 0.000 0.942 217 K CA -2.063 53.985 56.287 -0.399 0.000 0.806 217 K CB 2.157 34.498 32.500 -0.264 0.000 1.227 217 K HN 0.479 nan 8.250 nan 0.000 0.430 218 P HA 0.138 nan 4.420 nan 0.000 0.274 218 P C 0.530 177.754 177.300 -0.126 0.000 1.246 218 P CA -0.148 62.882 63.100 -0.116 0.000 0.795 218 P CB 0.499 32.169 31.700 -0.049 0.000 1.006 219 T N -0.935 113.571 114.554 -0.080 0.000 2.821 219 T HA -0.041 4.324 4.350 0.024 0.000 0.267 219 T C 0.574 175.232 174.700 -0.070 0.000 1.046 219 T CA 1.551 63.608 62.100 -0.071 0.000 1.139 219 T CB -0.553 68.292 68.868 -0.038 0.000 0.871 219 T HN 0.425 nan 8.240 nan 0.000 0.454 220 T N 3.907 118.427 114.554 -0.057 0.000 2.727 220 T HA 0.432 4.797 4.350 0.024 0.000 0.298 220 T C -0.210 174.447 174.700 -0.071 0.000 0.942 220 T CA -0.566 61.495 62.100 -0.066 0.000 0.997 220 T CB 0.479 69.326 68.868 -0.035 0.000 0.917 220 T HN 0.473 nan 8.240 nan 0.000 0.487 221 Q N 2.371 122.113 119.800 -0.097 0.000 2.565 221 Q HA 0.596 4.950 4.340 0.024 0.000 0.294 221 Q C -1.185 174.753 176.000 -0.104 0.000 1.005 221 Q CA -1.195 54.541 55.803 -0.112 0.000 0.771 221 Q CB 1.343 29.990 28.738 -0.152 0.000 1.486 221 Q HN 0.442 nan 8.270 nan 0.000 0.422 222 I N 2.599 123.085 120.570 -0.139 0.000 2.436 222 I HA -0.002 4.182 4.170 0.024 0.000 0.289 222 I C 0.820 176.842 176.117 -0.158 0.000 1.083 222 I CA 0.123 61.355 61.300 -0.114 0.000 1.372 222 I CB 0.952 38.835 38.000 -0.195 0.000 1.408 222 I HN 0.865 nan 8.210 nan 0.000 0.516 223 S N 2.697 118.415 115.700 0.030 0.000 2.502 223 S HA 0.193 4.678 4.470 0.024 0.000 0.215 223 S C 0.202 175.031 174.600 0.383 0.000 1.009 223 S CA -0.230 58.057 58.200 0.145 0.000 0.908 223 S CB 0.286 63.526 63.200 0.066 0.000 0.801 223 S HN 0.700 nan 8.310 nan 0.000 0.505 224 D N -0.307 120.317 120.400 0.373 0.000 2.685 224 D HA 0.520 5.175 4.640 0.024 0.000 0.236 224 D C -1.878 174.606 176.300 0.306 0.000 1.233 224 D CA -0.717 53.493 54.000 0.350 0.000 0.760 224 D CB 1.594 42.484 40.800 0.150 0.000 1.410 224 D HN 0.220 nan 8.370 nan 0.000 0.439 225 F N -0.555 119.444 119.950 0.082 0.000 2.650 225 F HA 0.638 5.179 4.527 0.024 0.000 0.310 225 F C -1.506 174.323 175.800 0.048 0.000 1.112 225 F CA -0.818 57.158 58.000 -0.040 0.000 0.986 225 F CB 1.291 40.322 39.000 0.052 0.000 1.285 225 F HN 0.244 nan 8.300 nan 0.000 0.440 226 H N 1.757 120.870 119.070 0.071 0.000 2.589 226 H HA 0.746 5.317 4.556 0.024 0.000 0.351 226 H C -1.309 174.041 175.328 0.037 0.000 1.074 226 H CA -1.488 54.534 56.048 -0.044 0.000 1.203 226 H CB 2.598 32.331 29.762 -0.048 0.000 1.558 226 H HN 0.617 nan 8.280 nan 0.000 0.522 227 V N 2.182 122.172 119.914 0.126 0.000 2.495 227 V HA 0.713 4.847 4.120 0.024 0.000 0.298 227 V C -0.218 175.867 176.094 -0.015 0.000 1.031 227 V CA -0.569 61.770 62.300 0.064 0.000 0.871 227 V CB 1.298 33.155 31.823 0.057 0.000 0.988 227 V HN 0.945 nan 8.190 nan 0.000 0.432 228 A N 3.250 126.041 122.820 -0.048 0.000 2.454 228 A HA 0.971 5.305 4.320 0.024 0.000 0.302 228 A C -0.222 177.266 177.584 -0.160 0.000 1.079 228 A CA -0.546 51.443 52.037 -0.081 0.000 0.731 228 A CB 2.109 21.084 19.000 -0.043 0.000 1.299 228 A HN 0.921 nan 8.150 nan 0.000 0.413 229 T N -0.446 113.996 114.554 -0.188 0.000 2.881 229 T HA 0.710 5.075 4.350 0.024 0.000 0.291 229 T C -0.445 174.044 174.700 -0.352 0.000 0.990 229 T CA -0.820 61.082 62.100 -0.329 0.000 0.976 229 T CB 1.067 69.672 68.868 -0.437 0.000 0.970 229 T HN 1.029 nan 8.240 nan 0.000 0.438 230 R N 1.700 121.912 120.500 -0.480 0.000 2.892 230 R HA 0.891 5.245 4.340 0.024 0.000 0.265 230 R C -1.615 174.268 176.300 -0.694 0.000 1.025 230 R CA -0.965 54.927 56.100 -0.347 0.000 0.982 230 R CB 1.325 31.552 30.300 -0.121 0.000 1.185 230 R HN 0.481 nan 8.270 nan 0.000 0.484 231 F N -0.291 119.655 119.950 -0.007 0.000 2.675 231 F HA 0.357 4.897 4.527 0.022 0.000 0.324 231 F C 0.104 175.786 175.800 -0.197 0.000 1.106 231 F CA -1.053 56.897 58.000 -0.084 0.000 0.970 231 F CB 1.229 40.119 39.000 -0.183 0.000 1.385 231 F HN 0.722 nan 8.300 nan 0.000 0.489 232 N N 0.026 118.725 118.700 -0.002 0.000 2.431 232 N HA 0.069 4.823 4.740 0.024 0.000 0.289 232 N C 0.441 175.800 175.510 -0.251 0.000 1.277 232 N CA 0.018 53.013 53.050 -0.091 0.000 0.972 232 N CB -0.056 38.408 38.487 -0.039 0.000 1.143 232 N HN 0.665 nan 8.380 nan 0.000 0.578 233 D N -1.129 119.172 120.400 -0.166 0.000 2.123 233 D HA -0.233 4.421 4.640 0.024 0.000 0.196 233 D C 0.285 176.461 176.300 -0.208 0.000 0.992 233 D CA 1.638 55.531 54.000 -0.179 0.000 0.833 233 D CB -0.638 40.128 40.800 -0.057 0.000 0.954 233 D HN 0.737 nan 8.370 nan 0.000 0.455 234 D N -1.631 118.715 120.400 -0.091 0.000 2.501 234 D HA 0.057 4.711 4.640 0.024 0.000 0.226 234 D C 0.005 176.463 176.300 0.264 0.000 1.198 234 D CA -1.001 53.066 54.000 0.111 0.000 0.830 234 D CB -1.031 39.846 40.800 0.128 0.000 1.014 234 D HN 0.211 nan 8.370 nan 0.000 0.496 235 F N 0.181 120.179 119.950 0.080 0.000 2.953 235 F HA -0.285 4.256 4.527 0.023 0.000 0.292 235 F C 1.502 177.374 175.800 0.119 0.000 0.747 235 F CA 0.810 58.858 58.000 0.080 0.000 1.222 235 F CB -2.556 36.375 39.000 -0.114 0.000 1.457 235 F HN 0.211 nan 8.300 nan 0.000 0.383 236 S N -1.265 114.549 115.700 0.191 0.000 2.575 236 S HA 0.345 4.830 4.470 0.024 0.000 0.215 236 S C 0.587 175.251 174.600 0.106 0.000 0.966 236 S CA -0.161 58.121 58.200 0.136 0.000 0.911 236 S CB 0.412 63.667 63.200 0.091 0.000 0.780 236 S HN 0.460 nan 8.310 nan 0.000 0.514 237 R N 0.112 120.688 120.500 0.127 0.000 2.725 237 R HA 0.836 5.190 4.340 0.024 0.000 0.277 237 R C -1.278 175.080 176.300 0.098 0.000 0.987 237 R CA -0.437 55.706 56.100 0.072 0.000 0.901 237 R CB 2.220 32.534 30.300 0.024 0.000 1.207 237 R HN 0.232 nan 8.270 nan 0.000 0.463 238 A N 1.250 124.056 122.820 -0.023 0.000 2.609 238 A HA 0.734 5.068 4.320 0.024 0.000 0.291 238 A C -1.532 175.971 177.584 -0.135 0.000 1.096 238 A CA -0.645 51.288 52.037 -0.173 0.000 0.684 238 A CB 2.086 20.966 19.000 -0.200 0.000 1.282 238 A HN 0.320 nan 8.150 nan 0.000 0.412 239 V N 1.260 121.065 119.914 -0.183 0.000 2.531 239 V HA 0.490 4.624 4.120 0.024 0.000 0.301 239 V C -0.602 175.438 176.094 -0.090 0.000 1.034 239 V CA -0.388 61.852 62.300 -0.100 0.000 0.865 239 V CB 1.518 33.283 31.823 -0.097 0.000 0.995 239 V HN 0.842 nan 8.190 nan 0.000 0.424 240 L N 4.792 126.003 121.223 -0.021 0.000 2.275 240 L HA 0.655 5.010 4.340 0.024 0.000 0.288 240 L C 0.016 176.854 176.870 -0.052 0.000 1.046 240 L CA -0.034 54.771 54.840 -0.058 0.000 0.805 240 L CB 1.205 43.261 42.059 -0.004 0.000 1.193 240 L HN 0.864 nan 8.230 nan 0.000 0.426 241 E N 5.217 125.380 120.200 -0.061 0.000 2.176 241 E HA 0.654 5.018 4.350 0.024 0.000 0.267 241 E C -1.670 174.926 176.600 -0.007 0.000 0.893 241 E CA -0.880 55.500 56.400 -0.033 0.000 0.761 241 E CB 1.853 31.533 29.700 -0.033 0.000 1.133 241 E HN 0.727 nan 8.360 nan 0.000 0.409 242 A N 4.599 127.424 122.820 0.008 0.000 2.311 242 A HA 0.309 4.644 4.320 0.024 0.000 0.306 242 A C -0.651 176.948 177.584 0.026 0.000 1.189 242 A CA -0.716 51.351 52.037 0.050 0.000 0.791 242 A CB 1.119 20.154 19.000 0.059 0.000 1.172 242 A HN 0.785 nan 8.150 nan 0.000 0.481 243 E N 2.511 122.725 120.200 0.023 0.000 2.197 243 E HA 0.554 4.918 4.350 0.024 0.000 0.281 243 E C -1.295 175.270 176.600 -0.059 0.000 0.995 243 E CA -0.383 55.991 56.400 -0.043 0.000 0.808 243 E CB 1.159 30.808 29.700 -0.083 0.000 1.093 243 E HN 0.380 nan 8.360 nan 0.000 0.394 244 V N 4.644 124.544 119.914 -0.023 0.000 2.604 244 V HA 0.303 4.437 4.120 0.024 0.000 0.305 244 V C -0.470 175.696 176.094 0.119 0.000 1.043 244 V CA -0.837 61.494 62.300 0.052 0.000 0.888 244 V CB 1.692 33.538 31.823 0.038 0.000 0.995 244 V HN 0.749 nan 8.190 nan 0.000 0.429 245 Q N 3.952 123.824 119.800 0.120 0.000 2.345 245 Q HA 0.839 5.193 4.340 0.024 0.000 0.268 245 Q C -0.817 175.255 176.000 0.120 0.000 1.054 245 Q CA -0.907 54.973 55.803 0.129 0.000 0.835 245 Q CB 2.725 31.473 28.738 0.017 0.000 1.339 245 Q HN 0.819 nan 8.270 nan 0.000 0.447 246 M N -0.991 118.597 119.600 -0.019 0.000 2.716 246 M HA 0.757 5.251 4.480 0.024 0.000 0.307 246 M C -1.298 174.907 176.300 -0.159 0.000 1.223 246 M CA -0.471 54.740 55.300 -0.148 0.000 0.871 246 M CB 1.613 33.915 32.600 -0.496 0.000 1.739 246 M HN 0.534 nan 8.290 nan 0.000 0.475 247 C N 0.597 119.816 119.300 -0.135 0.000 2.667 247 C HA 1.033 5.507 4.460 0.024 0.000 0.323 247 C C 0.616 175.528 174.990 -0.130 0.000 1.214 247 C CA 0.615 59.568 59.018 -0.108 0.000 1.721 247 C CB 1.073 28.777 27.740 -0.060 0.000 2.275 247 C HN 1.402 nan 8.230 nan 0.000 0.491 248 G N 1.634 110.369 108.800 -0.109 0.000 2.466 248 G HA2 0.025 3.999 3.960 0.024 0.000 0.316 248 G HA3 0.025 3.999 3.960 0.024 0.000 0.316 248 G C -0.936 173.893 174.900 -0.119 0.000 1.270 248 G CA -0.216 44.824 45.100 -0.100 0.000 0.982 248 G HN 1.013 nan 8.290 nan 0.000 0.506 249 E N -0.064 120.074 120.200 -0.103 0.000 2.194 249 E HA 0.503 4.868 4.350 0.024 0.000 0.284 249 E C 0.429 176.930 176.600 -0.165 0.000 1.035 249 E CA -0.713 55.620 56.400 -0.110 0.000 0.836 249 E CB 0.426 30.084 29.700 -0.070 0.000 1.070 249 E HN 0.537 nan 8.360 nan 0.000 0.401 250 L N 4.842 125.957 121.223 -0.180 0.000 2.456 250 L HA 0.272 4.626 4.340 0.024 0.000 0.272 250 L C 0.357 177.090 176.870 -0.228 0.000 1.189 250 L CA -0.050 54.656 54.840 -0.224 0.000 0.846 250 L CB 0.356 42.306 42.059 -0.182 0.000 1.111 250 L HN 0.551 nan 8.230 nan 0.000 0.475 251 R N 1.720 122.026 120.500 -0.323 0.000 2.604 251 R HA 0.195 4.549 4.340 0.024 0.000 0.281 251 R C -0.291 175.744 176.300 -0.441 0.000 1.020 251 R CA -0.810 54.992 56.100 -0.495 0.000 0.899 251 R CB 1.451 31.127 30.300 -1.040 0.000 1.205 251 R HN 0.507 nan 8.270 nan 0.000 0.450 252 D N 1.184 121.415 120.400 -0.280 0.000 2.309 252 D HA -0.143 4.511 4.640 0.024 0.000 0.212 252 D C 1.419 177.669 176.300 -0.083 0.000 0.968 252 D CA 1.491 55.418 54.000 -0.122 0.000 0.882 252 D CB 0.131 40.911 40.800 -0.033 0.000 0.918 252 D HN 0.581 nan 8.370 nan 0.000 0.503 253 Y N -0.373 119.940 120.300 0.022 0.000 2.490 253 Y HA 0.286 4.850 4.550 0.024 0.000 0.281 253 Y C 0.744 176.651 175.900 0.012 0.000 1.174 253 Y CA -0.532 57.579 58.100 0.017 0.000 1.295 253 Y CB -0.857 37.614 38.460 0.017 0.000 1.062 253 Y HN -0.198 nan 8.280 nan 0.000 0.522 254 L N 2.272 123.465 121.223 -0.049 0.000 2.436 254 L HA 0.370 4.724 4.340 0.024 0.000 0.265 254 L C 0.240 177.116 176.870 0.009 0.000 1.168 254 L CA -0.313 54.572 54.840 0.076 0.000 0.815 254 L CB 0.560 42.673 42.059 0.091 0.000 1.109 254 L HN 0.127 nan 8.230 nan 0.000 0.462 255 R N 1.206 121.607 120.500 -0.164 0.000 2.764 255 R HA 0.703 5.058 4.340 0.024 0.000 0.270 255 R C -1.558 174.414 176.300 -0.546 0.000 1.014 255 R CA -0.786 55.067 56.100 -0.411 0.000 0.904 255 R CB 2.186 32.100 30.300 -0.643 0.000 1.236 255 R HN 0.275 nan 8.270 nan 0.000 0.466 256 V N 0.671 120.297 119.914 -0.480 0.000 2.709 256 V HA 0.535 4.670 4.120 0.024 0.000 0.308 256 V C -0.447 175.589 176.094 -0.097 0.000 1.062 256 V CA -0.583 61.535 62.300 -0.304 0.000 0.901 256 V CB 2.413 33.990 31.823 -0.410 0.000 1.003 256 V HN 0.728 nan 8.190 nan 0.000 0.425 257 T N 3.690 118.299 114.554 0.092 0.000 2.824 257 T HA 0.628 4.993 4.350 0.024 0.000 0.282 257 T C -0.735 173.984 174.700 0.031 0.000 0.993 257 T CA -0.373 61.792 62.100 0.109 0.000 0.967 257 T CB 1.688 70.666 68.868 0.183 0.000 0.960 257 T HN 0.349 nan 8.240 nan 0.000 0.441 258 V N 3.790 123.703 119.914 -0.002 0.000 2.448 258 V HA 0.719 4.853 4.120 0.024 0.000 0.295 258 V C -0.107 175.989 176.094 0.003 0.000 1.025 258 V CA -0.748 61.550 62.300 -0.005 0.000 0.859 258 V CB 1.726 33.538 31.823 -0.020 0.000 0.988 258 V HN 1.041 nan 8.190 nan 0.000 0.431 259 S N 5.288 121.012 115.700 0.041 0.000 2.526 259 S HA 0.848 5.333 4.470 0.024 0.000 0.293 259 S C -1.184 173.431 174.600 0.024 0.000 1.092 259 S CA -0.743 57.446 58.200 -0.017 0.000 0.980 259 S CB 2.079 65.258 63.200 -0.034 0.000 1.048 259 S HN 0.565 nan 8.310 nan 0.000 0.483 260 L N 2.561 123.710 121.223 -0.124 0.000 2.322 260 L HA 0.816 5.171 4.340 0.024 0.000 0.281 260 L C -1.923 174.874 176.870 -0.122 0.000 1.014 260 L CA -0.313 54.549 54.840 0.037 0.000 0.815 260 L CB 0.927 43.029 42.059 0.071 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.603 125.013 121.300 0.183 0.000 2.702 261 W HA 0.598 5.272 4.660 0.024 0.000 0.331 261 W C -0.711 175.901 176.519 0.155 0.000 1.049 261 W CA -0.535 56.892 57.345 0.138 0.000 1.230 261 W CB 1.540 31.033 29.460 0.055 0.000 1.408 261 W HN 0.385 nan 8.180 nan 0.000 0.492 262 Q N 2.478 122.436 119.800 0.264 0.000 2.394 262 Q HA 0.556 4.910 4.340 0.024 0.000 0.259 262 Q C 0.631 176.668 176.000 0.061 0.000 1.021 262 Q CA 0.383 56.172 55.803 -0.024 0.000 0.805 262 Q CB 0.888 29.503 28.738 -0.206 0.000 1.226 262 Q HN 0.761 nan 8.270 nan 0.000 0.476 263 G N 3.775 112.601 108.800 0.044 0.000 2.622 263 G HA2 -0.394 3.580 3.960 0.024 0.000 0.307 263 G HA3 -0.394 3.580 3.960 0.024 0.000 0.307 263 G C 0.585 175.562 174.900 0.130 0.000 1.226 263 G CA 0.463 45.592 45.100 0.049 0.000 0.997 263 G HN 0.673 nan 8.290 nan 0.000 0.551 264 E N 0.886 121.155 120.200 0.115 0.000 2.502 264 E HA 0.159 4.523 4.350 0.024 0.000 0.194 264 E C 0.453 177.261 176.600 0.346 0.000 1.062 264 E CA 0.725 57.226 56.400 0.168 0.000 0.867 264 E CB 0.047 29.797 29.700 0.084 0.000 0.888 264 E HN 0.365 nan 8.360 nan 0.000 0.510 265 T N 0.727 115.457 114.554 0.294 0.000 2.824 265 T HA 0.147 4.512 4.350 0.024 0.000 0.280 265 T C -0.327 174.410 174.700 0.062 0.000 0.995 265 T CA -0.564 61.647 62.100 0.184 0.000 1.009 265 T CB 1.737 70.643 68.868 0.063 0.000 0.955 265 T HN 0.009 nan 8.240 nan 0.000 0.452 266 Q N 2.746 122.313 119.800 -0.388 0.000 2.337 266 Q HA 0.313 4.668 4.340 0.024 0.000 0.255 266 Q C 0.896 176.633 176.000 -0.438 0.000 0.997 266 Q CA -0.521 54.692 55.803 -0.983 0.000 0.925 266 Q CB 0.599 28.498 28.738 -1.399 0.000 1.212 266 Q HN 0.688 nan 8.270 nan 0.000 0.436 267 V N 1.098 120.842 119.914 -0.282 0.000 3.354 267 V HA 0.577 4.712 4.120 0.024 0.000 0.258 267 V C 0.293 176.300 176.094 -0.144 0.000 1.159 267 V CA 0.724 62.946 62.300 -0.129 0.000 1.125 267 V CB -0.153 31.678 31.823 0.014 0.000 0.774 267 V HN 0.651 nan 8.190 nan 0.000 0.464 268 A N -0.850 121.848 122.820 -0.204 0.000 2.599 268 A HA 0.792 5.127 4.320 0.024 0.000 0.294 268 A C -0.668 176.812 177.584 -0.173 0.000 1.055 268 A CA 0.260 52.208 52.037 -0.149 0.000 0.683 268 A CB 1.414 20.360 19.000 -0.091 0.000 1.278 268 A HN 0.780 nan 8.150 nan 0.000 0.412 269 S N -0.728 114.898 115.700 -0.124 0.000 2.547 269 S HA 0.823 5.308 4.470 0.024 0.000 0.270 269 S C -0.544 174.018 174.600 -0.064 0.000 1.150 269 S CA 0.245 58.383 58.200 -0.102 0.000 0.850 269 S CB 1.632 64.757 63.200 -0.125 0.000 1.118 269 S HN 2.395 nan 8.310 nan 0.000 0.461 270 G N 1.300 110.074 108.800 -0.043 0.000 2.696 270 G HA2 0.681 4.656 3.960 0.024 0.000 0.295 270 G HA3 0.681 4.656 3.960 0.024 0.000 0.295 270 G C -1.471 173.417 174.900 -0.020 0.000 1.398 270 G CA -0.440 44.639 45.100 -0.035 0.000 0.920 270 G HN 0.748 nan 8.290 nan 0.000 0.492 271 T N -0.420 114.124 114.554 -0.017 0.000 2.912 271 T HA 0.851 5.215 4.350 0.024 0.000 0.299 271 T C -0.417 174.255 174.700 -0.047 0.000 1.052 271 T CA 0.032 62.130 62.100 -0.004 0.000 0.996 271 T CB 1.838 70.743 68.868 0.061 0.000 1.070 271 T HN 1.646 nan 8.240 nan 0.000 0.465 272 A N 3.116 125.874 122.820 -0.104 0.000 2.612 272 A HA 0.928 5.263 4.320 0.024 0.000 0.293 272 A C -3.112 174.352 177.584 -0.200 0.000 1.075 272 A CA -1.531 50.432 52.037 -0.123 0.000 0.680 272 A CB 1.201 20.124 19.000 -0.128 0.000 1.279 272 A HN 0.536 nan 8.150 nan 0.000 0.411 273 P HA 0.531 nan 4.420 nan 0.000 0.278 273 P C -0.563 176.620 177.300 -0.195 0.000 1.266 273 P CA -0.242 62.777 63.100 -0.136 0.000 0.807 273 P CB 0.351 32.029 31.700 -0.037 0.000 1.094 274 F N -0.283 119.630 119.950 -0.063 0.000 2.440 274 F HA 0.464 5.005 4.527 0.024 0.000 0.323 274 F C 1.506 177.289 175.800 -0.027 0.000 1.192 274 F CA 1.534 59.507 58.000 -0.045 0.000 1.252 274 F CB 0.080 39.049 39.000 -0.051 0.000 1.214 274 F HN 0.591 nan 8.300 nan 0.000 0.578 275 G N 1.188 110.109 108.800 0.201 0.000 2.951 275 G HA2 0.355 4.330 3.960 0.024 0.000 0.508 275 G HA3 0.355 4.330 3.960 0.024 0.000 0.508 275 G C -0.486 174.466 174.900 0.086 0.000 1.203 275 G CA -0.752 44.419 45.100 0.119 0.000 1.209 275 G HN 1.032 nan 8.290 nan 0.000 0.552 276 G N 0.721 109.593 108.800 0.120 0.000 2.580 276 G HA2 0.700 4.674 3.960 0.024 0.000 0.278 276 G HA3 0.700 4.674 3.960 0.024 0.000 0.278 276 G C 0.471 175.415 174.900 0.074 0.000 1.212 276 G CA -0.049 45.112 45.100 0.103 0.000 0.939 276 G HN 1.014 nan 8.290 nan 0.000 0.513 277 E N -0.768 119.468 120.200 0.060 0.000 2.410 277 E HA 0.148 4.512 4.350 0.024 0.000 0.255 277 E C -0.288 176.337 176.600 0.041 0.000 1.194 277 E CA -0.507 55.918 56.400 0.041 0.000 0.955 277 E CB 0.917 30.637 29.700 0.033 0.000 0.988 277 E HN 0.274 nan 8.360 nan 0.000 0.461 278 I N 1.434 122.016 120.570 0.020 0.000 2.683 278 I HA -0.142 4.042 4.170 0.024 0.000 0.286 278 I C 0.968 177.095 176.117 0.017 0.000 1.175 278 I CA 0.112 61.416 61.300 0.008 0.000 1.429 278 I CB 0.346 38.345 38.000 -0.001 0.000 1.371 278 I HN 0.541 nan 8.210 nan 0.000 0.569 279 I N 3.998 124.572 120.570 0.006 0.000 2.947 279 I HA 0.090 4.274 4.170 0.024 0.000 0.263 279 I C 0.552 176.670 176.117 0.002 0.000 1.130 279 I CA 0.997 62.311 61.300 0.022 0.000 1.448 279 I CB -0.868 37.143 38.000 0.018 0.000 1.222 279 I HN 0.692 nan 8.210 nan 0.000 0.453 280 D N -1.349 119.037 120.400 -0.022 0.000 2.921 280 D HA 0.116 4.770 4.640 0.024 0.000 0.329 280 D C 0.405 176.689 176.300 -0.026 0.000 1.293 280 D CA -0.387 53.601 54.000 -0.020 0.000 0.964 280 D CB 0.508 41.297 40.800 -0.019 0.000 1.435 280 D HN -0.264 nan 8.370 nan 0.000 0.548 281 E N -0.924 119.263 120.200 -0.022 0.000 2.265 281 E HA -0.033 4.331 4.350 0.024 0.000 0.196 281 E C 1.465 178.047 176.600 -0.031 0.000 0.996 281 E CA 0.969 57.356 56.400 -0.022 0.000 0.832 281 E CB -0.056 29.635 29.700 -0.016 0.000 0.756 281 E HN 0.228 nan 8.360 nan 0.000 0.491 282 R N -0.213 120.261 120.500 -0.044 0.000 2.310 282 R HA 0.256 4.610 4.340 0.024 0.000 0.202 282 R C 0.927 177.185 176.300 -0.069 0.000 0.933 282 R CA 0.752 56.818 56.100 -0.056 0.000 1.054 282 R CB 0.422 30.684 30.300 -0.065 0.000 0.985 282 R HN 0.221 nan 8.270 nan 0.000 0.489 283 G N -0.628 108.132 108.800 -0.066 0.000 2.408 283 G HA2 -0.086 3.888 3.960 0.024 0.000 0.204 283 G HA3 -0.086 3.888 3.960 0.024 0.000 0.204 283 G C -0.272 174.573 174.900 -0.091 0.000 1.186 283 G CA -0.611 44.450 45.100 -0.066 0.000 1.139 283 G HN 0.490 nan 8.290 nan 0.000 0.563 284 G N -1.994 106.745 108.800 -0.102 0.000 3.022 284 G HA2 0.638 4.613 3.960 0.024 0.000 0.284 284 G HA3 0.638 4.613 3.960 0.024 0.000 0.284 284 G C -1.579 173.204 174.900 -0.195 0.000 1.375 284 G CA -0.713 44.324 45.100 -0.105 0.000 0.902 284 G HN 0.777 nan 8.290 nan 0.000 0.538 285 Y N 1.120 121.434 120.300 0.023 0.000 2.504 285 Y HA 0.406 4.970 4.550 0.023 0.000 0.351 285 Y C 1.493 177.417 175.900 0.040 0.000 0.988 285 Y CA 0.229 58.346 58.100 0.028 0.000 1.239 285 Y CB 1.646 40.128 38.460 0.037 0.000 1.128 285 Y HN 0.545 nan 8.280 nan 0.000 0.525 286 A N 1.869 124.750 122.820 0.103 0.000 2.119 286 A HA -0.140 4.194 4.320 0.024 0.000 0.217 286 A C 1.388 179.030 177.584 0.096 0.000 1.153 286 A CA 1.365 53.449 52.037 0.079 0.000 0.692 286 A CB -0.278 18.730 19.000 0.014 0.000 0.799 286 A HN 0.795 nan 8.150 nan 0.000 0.458 287 D N -1.061 119.401 120.400 0.104 0.000 2.388 287 D HA 0.157 4.812 4.640 0.024 0.000 0.221 287 D C 0.537 176.929 176.300 0.153 0.000 1.133 287 D CA -0.041 53.954 54.000 -0.008 0.000 0.831 287 D CB 0.015 40.784 40.800 -0.053 0.000 0.962 287 D HN 0.383 nan 8.370 nan 0.000 0.502 288 R N -1.011 119.690 120.500 0.336 0.000 2.817 288 R HA 0.755 5.109 4.340 0.024 0.000 0.268 288 R C -1.662 174.809 176.300 0.285 0.000 1.027 288 R CA -1.139 55.162 56.100 0.335 0.000 0.928 288 R CB 2.864 33.235 30.300 0.118 0.000 1.228 288 R HN -0.026 nan 8.270 nan 0.000 0.469 289 V N -0.005 119.959 119.914 0.084 0.000 3.147 289 V HA 0.525 4.659 4.120 0.024 0.000 0.299 289 V C -1.610 174.442 176.094 -0.070 0.000 1.302 289 V CA -0.277 61.985 62.300 -0.064 0.000 1.015 289 V CB 2.775 34.411 31.823 -0.312 0.000 1.086 289 V HN 0.795 nan 8.190 nan 0.000 0.437 290 T N 6.891 121.411 114.554 -0.056 0.000 2.809 290 T HA 0.595 4.959 4.350 0.024 0.000 0.284 290 T C -0.989 173.680 174.700 -0.052 0.000 0.992 290 T CA -0.383 61.691 62.100 -0.043 0.000 0.957 290 T CB 1.028 69.885 68.868 -0.019 0.000 0.942 290 T HN 0.473 nan 8.240 nan 0.000 0.439 291 L N 3.486 124.678 121.223 -0.051 0.000 2.322 291 L HA 0.582 4.936 4.340 0.024 0.000 0.279 291 L C 0.446 177.295 176.870 -0.035 0.000 1.036 291 L CA -0.559 54.251 54.840 -0.050 0.000 0.807 291 L CB 1.471 43.499 42.059 -0.052 0.000 1.226 291 L HN 0.517 nan 8.230 nan 0.000 0.433 292 R N 3.939 124.418 120.500 -0.035 0.000 2.360 292 R HA 0.671 5.025 4.340 0.024 0.000 0.318 292 R C -1.099 175.181 176.300 -0.035 0.000 0.950 292 R CA -0.597 55.483 56.100 -0.034 0.000 0.837 292 R CB 1.801 32.082 30.300 -0.033 0.000 1.165 292 R HN 0.479 nan 8.270 nan 0.000 0.458 293 L N 2.893 124.097 121.223 -0.031 0.000 2.341 293 L HA 0.443 4.798 4.340 0.024 0.000 0.278 293 L C -0.260 176.589 176.870 -0.035 0.000 1.005 293 L CA -1.162 53.658 54.840 -0.033 0.000 0.818 293 L CB 1.768 43.812 42.059 -0.026 0.000 1.259 293 L HN 0.461 nan 8.230 nan 0.000 0.418 294 N N 2.109 120.782 118.700 -0.045 0.000 2.499 294 N HA 0.390 5.145 4.740 0.024 0.000 0.281 294 N C -0.805 174.663 175.510 -0.070 0.000 1.098 294 N CA -0.221 52.797 53.050 -0.053 0.000 0.979 294 N CB 2.468 40.926 38.487 -0.048 0.000 1.121 294 N HN 0.198 nan 8.380 nan 0.000 0.466 295 V N 2.269 122.125 119.914 -0.096 0.000 2.447 295 V HA 0.170 4.304 4.120 0.024 0.000 0.292 295 V C -0.159 175.855 176.094 -0.133 0.000 1.021 295 V CA -0.857 61.347 62.300 -0.160 0.000 0.850 295 V CB 1.720 33.337 31.823 -0.343 0.000 1.005 295 V HN 0.468 nan 8.190 nan 0.000 0.426 296 E N 2.981 123.130 120.200 -0.084 0.000 2.313 296 E HA 0.265 4.630 4.350 0.024 0.000 0.276 296 E C 0.261 176.840 176.600 -0.034 0.000 1.031 296 E CA -0.336 56.038 56.400 -0.044 0.000 0.857 296 E CB 0.513 30.198 29.700 -0.025 0.000 1.040 296 E HN 0.747 nan 8.360 nan 0.000 0.408 297 N N 1.161 119.861 118.700 0.001 0.000 2.686 297 N HA -0.151 4.603 4.740 0.024 0.000 0.261 297 N C -2.446 173.071 175.510 0.011 0.000 1.001 297 N CA 0.126 53.192 53.050 0.027 0.000 0.764 297 N CB -1.007 37.497 38.487 0.028 0.000 0.898 297 N HN 0.347 nan 8.380 nan 0.000 0.544 298 P HA 0.006 nan 4.420 nan 0.000 0.269 298 P C -0.490 176.854 177.300 0.074 0.000 1.215 298 P CA 0.279 63.307 63.100 -0.121 0.000 0.780 298 P CB 0.764 32.215 31.700 -0.416 0.000 0.898 299 K N 2.300 122.833 120.400 0.222 0.000 2.316 299 K HA 0.304 4.638 4.320 0.024 0.000 0.289 299 K C 0.178 176.956 176.600 0.298 0.000 1.070 299 K CA -0.418 55.990 56.287 0.201 0.000 0.928 299 K CB 0.208 32.792 32.500 0.140 0.000 1.039 299 K HN 0.412 nan 8.250 nan 0.000 0.480 300 L N 2.439 123.763 121.223 0.169 0.000 2.395 300 L HA 0.308 4.662 4.340 0.024 0.000 0.269 300 L C -0.062 176.891 176.870 0.138 0.000 1.133 300 L CA -0.774 54.163 54.840 0.163 0.000 0.812 300 L CB 0.407 42.408 42.059 -0.097 0.000 1.125 300 L HN 0.606 nan 8.230 nan 0.000 0.452 301 W N 2.884 124.211 121.300 0.045 0.000 2.417 301 W HA 0.508 5.182 4.660 0.023 0.000 0.317 301 W C -0.086 176.379 176.519 -0.090 0.000 1.121 301 W CA 0.054 57.411 57.345 0.021 0.000 1.208 301 W CB 1.387 30.913 29.460 0.111 0.000 1.253 301 W HN 0.620 nan 8.180 nan 0.000 0.533 302 S N 2.903 118.052 115.700 -0.918 0.000 2.615 302 S HA 0.640 5.125 4.470 0.024 0.000 0.269 302 S C 0.041 173.884 174.600 -1.262 0.000 1.161 302 S CA -0.372 57.351 58.200 -0.795 0.000 0.817 302 S CB 1.159 64.116 63.200 -0.406 0.000 1.131 302 S HN 0.981 nan 8.310 nan 0.000 0.467 303 A N 0.370 122.638 122.820 -0.920 0.000 2.066 303 A HA 0.085 4.420 4.320 0.024 0.000 0.218 303 A C 1.738 179.028 177.584 -0.490 0.000 1.157 303 A CA 1.302 52.798 52.037 -0.902 0.000 0.670 303 A CB -0.897 17.446 19.000 -1.096 0.000 0.804 303 A HN 0.866 nan 8.150 nan 0.000 0.453 304 E N -0.636 119.417 120.200 -0.245 0.000 2.072 304 E HA 0.022 4.386 4.350 0.024 0.000 0.190 304 E C -0.201 176.294 176.600 -0.174 0.000 0.982 304 E CA 0.751 57.078 56.400 -0.120 0.000 0.803 304 E CB -0.012 29.757 29.700 0.115 0.000 0.755 304 E HN 0.604 nan 8.360 nan 0.000 0.453 305 I N 1.791 122.221 120.570 -0.234 0.000 2.583 305 I HA 0.161 4.346 4.170 0.024 0.000 0.276 305 I C -2.495 173.400 176.117 -0.370 0.000 1.089 305 I CA -1.903 59.269 61.300 -0.213 0.000 1.103 305 I CB 2.116 40.042 38.000 -0.124 0.000 1.209 305 I HN -0.205 nan 8.210 nan 0.000 0.484 306 P HA 0.099 nan 4.420 nan 0.000 0.220 306 P C -0.570 176.709 177.300 -0.035 0.000 1.806 306 P CA -0.270 62.510 63.100 -0.534 0.000 0.976 306 P CB -0.201 31.333 31.700 -0.277 0.000 1.952 307 N N 1.766 120.477 118.700 0.020 0.000 2.454 307 N HA 0.139 4.894 4.740 0.024 0.000 0.260 307 N C 0.079 175.814 175.510 0.376 0.000 1.218 307 N CA 0.450 53.591 53.050 0.151 0.000 0.904 307 N CB 0.690 39.263 38.487 0.144 0.000 1.065 307 N HN 0.317 nan 8.380 nan 0.000 0.462 308 L N 2.228 123.606 121.223 0.259 0.000 2.371 308 L HA 0.469 4.823 4.340 0.024 0.000 0.262 308 L C -0.749 176.262 176.870 0.235 0.000 1.006 308 L CA -0.853 54.192 54.840 0.341 0.000 0.818 308 L CB 1.307 43.517 42.059 0.252 0.000 1.354 308 L HN 0.393 nan 8.230 nan 0.000 0.415 309 Y N 0.291 120.748 120.300 0.263 0.000 2.631 309 Y HA 0.645 5.210 4.550 0.025 0.000 0.328 309 Y C -0.141 175.884 175.900 0.209 0.000 1.118 309 Y CA -0.776 57.479 58.100 0.259 0.000 1.206 309 Y CB 1.489 40.169 38.460 0.367 0.000 1.337 309 Y HN 0.375 nan 8.280 nan 0.000 0.515 310 R N 0.887 121.629 120.500 0.404 0.000 2.480 310 R HA 0.782 5.137 4.340 0.024 0.000 0.306 310 R C -1.680 174.816 176.300 0.327 0.000 0.958 310 R CA -0.506 55.758 56.100 0.273 0.000 0.861 310 R CB 1.083 31.470 30.300 0.144 0.000 1.171 310 R HN 0.726 nan 8.270 nan 0.000 0.445 311 A N 3.819 126.773 122.820 0.223 0.000 2.276 311 A HA 0.623 4.958 4.320 0.024 0.000 0.316 311 A C -1.018 176.631 177.584 0.109 0.000 1.229 311 A CA -0.635 51.516 52.037 0.190 0.000 0.851 311 A CB 1.282 20.364 19.000 0.137 0.000 1.165 311 A HN 0.487 nan 8.150 nan 0.000 0.513 312 V N 3.484 123.471 119.914 0.122 0.000 2.448 312 V HA 0.380 4.514 4.120 0.024 0.000 0.295 312 V C -0.381 175.693 176.094 -0.033 0.000 1.025 312 V CA -0.468 61.840 62.300 0.015 0.000 0.859 312 V CB 1.627 33.482 31.823 0.054 0.000 0.988 312 V HN 0.626 nan 8.190 nan 0.000 0.431 313 V N 5.015 124.838 119.914 -0.153 0.000 2.347 313 V HA 0.435 4.569 4.120 0.024 0.000 0.280 313 V C -0.078 175.962 176.094 -0.091 0.000 1.021 313 V CA -0.557 61.636 62.300 -0.177 0.000 0.847 313 V CB 1.371 32.937 31.823 -0.428 0.000 0.990 313 V HN 0.919 nan 8.190 nan 0.000 0.444 314 E N 3.796 123.998 120.200 0.002 0.000 2.171 314 E HA 0.533 4.897 4.350 0.024 0.000 0.271 314 E C -1.094 175.596 176.600 0.150 0.000 0.916 314 E CA -0.859 55.591 56.400 0.084 0.000 0.774 314 E CB 2.548 32.326 29.700 0.131 0.000 1.128 314 E HN 0.472 nan 8.360 nan 0.000 0.403 315 L N 4.468 125.760 121.223 0.114 0.000 2.282 315 L HA 0.441 4.796 4.340 0.024 0.000 0.288 315 L C -0.981 175.988 176.870 0.165 0.000 1.033 315 L CA 0.126 55.022 54.840 0.093 0.000 0.807 315 L CB 0.174 42.280 42.059 0.078 0.000 1.209 315 L HN 0.710 nan 8.230 nan 0.000 0.423 316 H N 0.127 119.242 119.070 0.076 0.000 2.905 316 H HA 0.749 5.319 4.556 0.024 0.000 0.280 316 H C -0.811 174.589 175.328 0.120 0.000 1.445 316 H CA -0.507 55.586 56.048 0.074 0.000 1.165 316 H CB 0.637 30.423 29.762 0.040 0.000 1.857 316 H HN 0.519 nan 8.280 nan 0.000 0.567 317 T N -2.151 112.556 114.554 0.255 0.000 2.927 317 T HA 0.561 4.925 4.350 0.024 0.000 0.281 317 T C 1.404 176.267 174.700 0.271 0.000 0.998 317 T CA -0.354 61.875 62.100 0.215 0.000 1.019 317 T CB 1.542 70.458 68.868 0.080 0.000 1.061 317 T HN 0.945 nan 8.240 nan 0.000 0.518 318 A N 1.459 124.393 122.820 0.189 0.000 1.940 318 A HA -0.115 4.219 4.320 0.024 0.000 0.219 318 A C 1.884 179.550 177.584 0.137 0.000 1.176 318 A CA 1.950 54.082 52.037 0.159 0.000 0.631 318 A CB -1.130 17.948 19.000 0.130 0.000 0.814 318 A HN 1.000 nan 8.150 nan 0.000 0.446 319 D N -2.177 118.277 120.400 0.089 0.000 2.363 319 D HA 0.258 4.912 4.640 0.024 0.000 0.226 319 D C 1.131 177.459 176.300 0.047 0.000 1.020 319 D CA 1.198 55.226 54.000 0.046 0.000 0.892 319 D CB -0.433 40.369 40.800 0.003 0.000 0.900 319 D HN 0.831 nan 8.370 nan 0.000 0.531 320 G N -1.003 107.855 108.800 0.096 0.000 2.218 320 G HA2 -0.218 3.756 3.960 0.024 0.000 0.216 320 G HA3 -0.218 3.756 3.960 0.024 0.000 0.216 320 G C 0.324 175.231 174.900 0.012 0.000 0.994 320 G CA 0.062 45.175 45.100 0.023 0.000 0.637 320 G HN 0.424 nan 8.290 nan 0.000 0.505 321 T N 2.310 116.895 114.554 0.052 0.000 2.799 321 T HA 0.487 4.851 4.350 0.024 0.000 0.296 321 T C 0.332 175.086 174.700 0.090 0.000 0.947 321 T CA -0.061 62.065 62.100 0.042 0.000 1.141 321 T CB 1.916 70.796 68.868 0.021 0.000 0.891 321 T HN 0.532 nan 8.240 nan 0.000 0.533 322 L N 4.422 125.680 121.223 0.058 0.000 2.426 322 L HA 0.346 4.700 4.340 0.024 0.000 0.271 322 L C 0.730 177.651 176.870 0.085 0.000 1.169 322 L CA 0.365 55.258 54.840 0.087 0.000 0.836 322 L CB 0.190 42.273 42.059 0.041 0.000 1.112 322 L HN 0.699 nan 8.230 nan 0.000 0.465 323 I N 1.887 122.519 120.570 0.104 0.000 2.899 323 I HA 0.173 4.357 4.170 0.024 0.000 0.257 323 I C 0.084 176.229 176.117 0.046 0.000 1.115 323 I CA 0.275 61.617 61.300 0.070 0.000 1.451 323 I CB 0.272 38.318 38.000 0.077 0.000 1.251 323 I HN 0.794 nan 8.210 nan 0.000 0.456 324 E N 0.383 120.612 120.200 0.048 0.000 2.401 324 E HA 0.712 5.077 4.350 0.024 0.000 0.280 324 E C -1.509 175.115 176.600 0.040 0.000 1.039 324 E CA -1.057 55.361 56.400 0.030 0.000 0.814 324 E CB 1.937 31.622 29.700 -0.026 0.000 1.275 324 E HN 0.008 nan 8.360 nan 0.000 0.448 325 A N 1.622 124.490 122.820 0.081 0.000 2.414 325 A HA 0.704 5.039 4.320 0.024 0.000 0.306 325 A C -0.997 176.703 177.584 0.193 0.000 1.054 325 A CA -0.741 51.347 52.037 0.087 0.000 0.724 325 A CB 1.603 20.641 19.000 0.064 0.000 1.267 325 A HN 0.523 nan 8.150 nan 0.000 0.418 326 E N -0.237 119.997 120.200 0.056 0.000 2.359 326 E HA 0.851 5.216 4.350 0.024 0.000 0.266 326 E C -0.514 176.100 176.600 0.023 0.000 0.920 326 E CA -0.497 55.975 56.400 0.119 0.000 0.788 326 E CB 2.375 32.001 29.700 -0.124 0.000 1.279 326 E HN 1.195 nan 8.360 nan 0.000 0.438 327 A N -0.080 122.872 122.820 0.221 0.000 2.586 327 A HA 0.719 5.054 4.320 0.024 0.000 0.290 327 A C -1.146 176.622 177.584 0.307 0.000 1.086 327 A CA -0.405 51.690 52.037 0.096 0.000 0.665 327 A CB 0.710 19.690 19.000 -0.034 0.000 1.279 327 A HN 0.873 nan 8.150 nan 0.000 0.423 328 C N -0.620 118.826 119.300 0.243 0.000 3.288 328 C HA 0.821 5.295 4.460 0.024 0.000 0.318 328 C C -1.317 173.774 174.990 0.168 0.000 1.356 328 C CA -0.916 58.254 59.018 0.254 0.000 1.359 328 C CB 1.117 29.032 27.740 0.291 0.000 1.688 328 C HN 0.813 nan 8.230 nan 0.000 0.467 329 D N 1.063 121.544 120.400 0.134 0.000 2.304 329 D HA 0.532 5.186 4.640 0.024 0.000 0.250 329 D C -0.383 175.972 176.300 0.091 0.000 1.107 329 D CA 0.192 54.270 54.000 0.131 0.000 0.885 329 D CB 1.791 42.670 40.800 0.132 0.000 1.192 329 D HN 0.545 nan 8.370 nan 0.000 0.436 330 V N 1.439 121.431 119.914 0.131 0.000 2.487 330 V HA 0.622 4.756 4.120 0.024 0.000 0.298 330 V C 0.611 176.756 176.094 0.084 0.000 1.028 330 V CA -0.865 61.453 62.300 0.030 0.000 0.860 330 V CB 1.947 33.768 31.823 -0.003 0.000 0.991 330 V HN 0.593 nan 8.190 nan 0.000 0.427 331 G N 3.269 112.016 108.800 -0.088 0.000 2.422 331 G HA2 0.592 4.566 3.960 0.024 0.000 0.317 331 G HA3 0.592 4.566 3.960 0.024 0.000 0.317 331 G C -0.909 174.041 174.900 0.082 0.000 1.210 331 G CA -0.387 44.741 45.100 0.046 0.000 0.930 331 G HN 0.455 nan 8.290 nan 0.000 0.468 332 F N 4.146 124.285 119.950 0.314 0.000 2.468 332 F HA 0.392 4.933 4.527 0.023 0.000 0.356 332 F C 1.150 177.196 175.800 0.410 0.000 1.167 332 F CA -0.110 58.133 58.000 0.405 0.000 1.135 332 F CB 0.543 39.785 39.000 0.404 0.000 1.197 332 F HN 0.424 nan 8.300 nan 0.000 0.569 333 R N 3.055 123.838 120.500 0.470 0.000 2.643 333 R HA 0.410 4.765 4.340 0.024 0.000 0.269 333 R C -1.766 174.691 176.300 0.262 0.000 1.037 333 R CA -0.756 55.469 56.100 0.208 0.000 0.894 333 R CB 1.548 32.005 30.300 0.261 0.000 1.238 333 R HN 0.561 nan 8.270 nan 0.000 0.459 334 E N 2.265 122.523 120.200 0.096 0.000 2.171 334 E HA 0.473 4.837 4.350 0.024 0.000 0.271 334 E C -1.176 175.495 176.600 0.118 0.000 0.916 334 E CA -0.932 55.612 56.400 0.241 0.000 0.774 334 E CB 2.062 32.013 29.700 0.419 0.000 1.128 334 E HN 0.406 nan 8.360 nan 0.000 0.403 335 V N 5.383 125.364 119.914 0.111 0.000 2.448 335 V HA 0.577 4.711 4.120 0.024 0.000 0.295 335 V C -0.242 175.896 176.094 0.073 0.000 1.025 335 V CA -0.661 61.674 62.300 0.058 0.000 0.859 335 V CB 1.312 33.147 31.823 0.020 0.000 0.988 335 V HN 0.742 nan 8.190 nan 0.000 0.431 336 R N 4.421 124.961 120.500 0.066 0.000 2.663 336 R HA 0.714 5.069 4.340 0.024 0.000 0.267 336 R C -2.177 174.154 176.300 0.052 0.000 1.038 336 R CA -0.887 55.255 56.100 0.071 0.000 0.886 336 R CB 1.855 32.215 30.300 0.100 0.000 1.249 336 R HN 0.536 nan 8.270 nan 0.000 0.463 337 I N 1.562 122.162 120.570 0.050 0.000 2.354 337 I HA 0.383 4.567 4.170 0.024 0.000 0.292 337 I C -0.621 175.522 176.117 0.044 0.000 0.989 337 I CA -0.533 60.791 61.300 0.039 0.000 1.188 337 I CB 1.899 39.923 38.000 0.040 0.000 1.342 337 I HN 0.718 nan 8.210 nan 0.000 0.457 338 E N 5.399 125.621 120.200 0.038 0.000 2.308 338 E HA 0.259 4.624 4.350 0.024 0.000 0.275 338 E C -0.200 176.417 176.600 0.028 0.000 0.890 338 E CA -0.562 55.862 56.400 0.039 0.000 0.754 338 E CB 1.139 30.868 29.700 0.049 0.000 1.207 338 E HN 0.526 nan 8.360 nan 0.000 0.426 339 N N 3.101 121.817 118.700 0.027 0.000 2.708 339 N HA -0.245 4.510 4.740 0.024 0.000 0.249 339 N C 0.442 175.961 175.510 0.014 0.000 1.097 339 N CA 2.146 55.208 53.050 0.020 0.000 0.710 339 N CB -1.143 37.355 38.487 0.018 0.000 1.032 339 N HN 0.980 nan 8.380 nan 0.000 0.551 340 G N -2.349 106.460 108.800 0.014 0.000 2.157 340 G HA2 -0.267 3.708 3.960 0.024 0.000 0.248 340 G HA3 -0.267 3.708 3.960 0.024 0.000 0.248 340 G C -0.152 174.746 174.900 -0.004 0.000 0.979 340 G CA 0.476 45.580 45.100 0.007 0.000 0.650 340 G HN 0.483 nan 8.290 nan 0.000 0.529 341 L N -0.254 120.968 121.223 -0.003 0.000 2.381 341 L HA 0.686 5.040 4.340 0.024 0.000 0.268 341 L C 0.035 176.897 176.870 -0.012 0.000 0.997 341 L CA -1.360 53.470 54.840 -0.017 0.000 0.818 341 L CB 1.966 44.014 42.059 -0.017 0.000 1.310 341 L HN 0.075 nan 8.230 nan 0.000 0.416 342 L N 4.177 125.381 121.223 -0.032 0.000 2.325 342 L HA 0.398 4.752 4.340 0.024 0.000 0.284 342 L C -0.841 176.008 176.870 -0.036 0.000 1.089 342 L CA 0.510 55.331 54.840 -0.032 0.000 0.836 342 L CB 0.063 42.089 42.059 -0.054 0.000 1.184 342 L HN 0.382 nan 8.230 nan 0.000 0.444 343 L N 5.892 127.110 121.223 -0.008 0.000 2.334 343 L HA 0.532 4.886 4.340 0.024 0.000 0.276 343 L C -0.716 176.153 176.870 -0.001 0.000 1.014 343 L CA -0.817 54.024 54.840 0.001 0.000 0.815 343 L CB 1.920 44.004 42.059 0.043 0.000 1.268 343 L HN 0.540 nan 8.230 nan 0.000 0.428 344 L N 3.632 124.857 121.223 0.003 0.000 2.325 344 L HA 0.466 4.820 4.340 0.024 0.000 0.281 344 L C -0.141 176.702 176.870 -0.045 0.000 1.004 344 L CA -0.122 54.721 54.840 0.005 0.000 0.823 344 L CB 0.859 42.929 42.059 0.018 0.000 1.236 344 L HN 0.604 nan 8.230 nan 0.000 0.415 345 N N 4.104 122.621 118.700 -0.305 0.000 2.710 345 N HA -0.223 4.532 4.740 0.024 0.000 0.249 345 N C 0.909 175.914 175.510 -0.840 0.000 1.059 345 N CA 1.364 53.820 53.050 -0.990 0.000 0.720 345 N CB -1.191 36.744 38.487 -0.920 0.000 0.983 345 N HN 1.146 nan 8.380 nan 0.000 0.544 346 G N -2.191 106.476 108.800 -0.222 0.000 2.179 346 G HA2 -0.348 3.626 3.960 0.024 0.000 0.260 346 G HA3 -0.348 3.626 3.960 0.024 0.000 0.260 346 G C -0.045 174.889 174.900 0.056 0.000 0.977 346 G CA 0.875 46.029 45.100 0.089 0.000 0.641 346 G HN 0.399 nan 8.290 nan 0.000 0.533 347 K N 0.683 121.103 120.400 0.033 0.000 2.259 347 K HA 0.539 4.874 4.320 0.024 0.000 0.249 347 K C -2.759 173.817 176.600 -0.041 0.000 0.942 347 K CA -2.219 54.056 56.287 -0.019 0.000 0.816 347 K CB 2.463 34.889 32.500 -0.123 0.000 1.155 347 K HN 0.037 nan 8.250 nan 0.000 0.428 348 P HA 0.187 nan 4.420 nan 0.000 0.276 348 P C -0.126 177.114 177.300 -0.100 0.000 1.243 348 P CA -0.197 62.860 63.100 -0.071 0.000 0.768 348 P CB 0.481 32.141 31.700 -0.067 0.000 0.856 349 L N 3.384 124.543 121.223 -0.106 0.000 2.436 349 L HA 0.257 4.612 4.340 0.024 0.000 0.265 349 L C 0.691 177.486 176.870 -0.125 0.000 1.168 349 L CA -0.598 54.169 54.840 -0.123 0.000 0.815 349 L CB 0.313 42.259 42.059 -0.189 0.000 1.109 349 L HN 0.262 nan 8.230 nan 0.000 0.462 350 L N 4.111 125.280 121.223 -0.090 0.000 2.366 350 L HA 0.400 4.754 4.340 0.024 0.000 0.266 350 L C -0.426 176.413 176.870 -0.053 0.000 1.010 350 L CA -0.276 54.501 54.840 -0.106 0.000 0.879 350 L CB 0.662 42.692 42.059 -0.047 0.000 1.228 350 L HN 0.252 nan 8.230 nan 0.000 0.439 351 I N 4.600 125.076 120.570 -0.156 0.000 2.494 351 I HA 0.145 4.330 4.170 0.024 0.000 0.289 351 I C 0.618 176.716 176.117 -0.032 0.000 1.106 351 I CA 0.294 61.511 61.300 -0.137 0.000 1.369 351 I CB 0.250 38.040 38.000 -0.350 0.000 1.410 351 I HN 0.536 nan 8.210 nan 0.000 0.523 352 R N 4.720 125.278 120.500 0.097 0.000 2.937 352 R HA 0.439 4.793 4.340 0.024 0.000 0.264 352 R C 0.499 176.935 176.300 0.227 0.000 1.334 352 R CA -0.268 55.931 56.100 0.165 0.000 1.516 352 R CB 0.937 31.149 30.300 -0.147 0.000 1.187 352 R HN 0.780 nan 8.270 nan 0.000 0.609 353 G N 0.111 109.004 108.800 0.155 0.000 2.509 353 G HA2 0.587 4.561 3.960 0.024 0.000 0.328 353 G HA3 0.587 4.561 3.960 0.024 0.000 0.328 353 G C -1.270 173.940 174.900 0.517 0.000 1.194 353 G CA -0.450 44.727 45.100 0.129 0.000 0.967 353 G HN 0.233 nan 8.290 nan 0.000 0.488 354 V N 0.003 120.200 119.914 0.470 0.000 3.012 354 V HA 0.483 4.617 4.120 0.024 0.000 0.307 354 V C -1.199 175.051 176.094 0.261 0.000 1.166 354 V CA -1.238 61.233 62.300 0.286 0.000 0.974 354 V CB 2.271 33.986 31.823 -0.179 0.000 1.040 354 V HN 0.739 nan 8.190 nan 0.000 0.428 355 N N 4.203 122.966 118.700 0.106 0.000 2.472 355 N HA 0.422 5.176 4.740 0.024 0.000 0.277 355 N C -0.758 174.569 175.510 -0.305 0.000 1.081 355 N CA -0.248 52.724 53.050 -0.129 0.000 0.973 355 N CB 1.470 39.820 38.487 -0.229 0.000 1.105 355 N HN 0.631 nan 8.380 nan 0.000 0.470 356 R N 2.418 122.705 120.500 -0.355 0.000 2.483 356 R HA 0.218 4.572 4.340 0.024 0.000 0.303 356 R C -0.734 175.311 176.300 -0.425 0.000 0.987 356 R CA -0.546 55.354 56.100 -0.333 0.000 0.881 356 R CB 0.779 30.857 30.300 -0.371 0.000 1.177 356 R HN 0.585 nan 8.270 nan 0.000 0.451 357 H N 2.118 121.039 119.070 -0.247 0.000 2.603 357 H HA 0.104 4.675 4.556 0.025 0.000 0.370 357 H C -0.451 174.877 175.328 -0.000 0.000 1.225 357 H CA 0.243 56.242 56.048 -0.081 0.000 1.410 357 H CB 1.263 31.053 29.762 0.046 0.000 1.495 357 H HN 0.558 nan 8.280 nan 0.000 0.602 358 E N 1.656 122.062 120.200 0.343 0.000 2.001 358 E HA 0.106 4.471 4.350 0.024 0.000 0.279 358 E C -0.777 175.983 176.600 0.267 0.000 1.045 358 E CA -0.070 56.451 56.400 0.202 0.000 0.833 358 E CB 0.336 30.173 29.700 0.228 0.000 1.077 358 E HN 0.363 nan 8.360 nan 0.000 0.397 359 H N 1.781 120.919 119.070 0.114 0.000 2.759 359 H HA 0.253 4.823 4.556 0.024 0.000 0.354 359 H C -1.641 173.737 175.328 0.084 0.000 1.074 359 H CA -0.644 55.463 56.048 0.097 0.000 1.226 359 H CB 0.999 30.806 29.762 0.076 0.000 1.648 359 H HN 0.406 nan 8.280 nan 0.000 0.529 360 H N 6.346 125.037 119.070 -0.632 0.000 2.689 360 H HA 0.221 4.791 4.556 0.024 0.000 0.346 360 H C -2.300 172.656 175.328 -0.620 0.000 1.037 360 H CA -2.418 53.386 56.048 -0.407 0.000 1.234 360 H CB 2.664 32.328 29.762 -0.163 0.000 1.572 360 H HN 0.538 nan 8.280 nan 0.000 0.524 361 P HA -0.119 nan 4.420 nan 0.000 0.222 361 P C 1.193 178.377 177.300 -0.193 0.000 1.147 361 P CA 0.535 63.451 63.100 -0.308 0.000 0.790 361 P CB 0.816 32.383 31.700 -0.221 0.000 0.780 362 L N -1.526 119.703 121.223 0.009 0.000 2.388 362 L HA 0.182 4.537 4.340 0.024 0.000 0.209 362 L C 1.973 178.644 176.870 -0.331 0.000 1.061 362 L CA 1.419 56.137 54.840 -0.203 0.000 0.834 362 L CB -0.757 41.083 42.059 -0.365 0.000 1.029 362 L HN -0.098 nan 8.230 nan 0.000 0.473 363 H N -1.025 118.074 119.070 0.047 0.000 2.539 363 H HA 0.443 5.013 4.556 0.024 0.000 0.269 363 H C 1.425 176.665 175.328 -0.148 0.000 0.980 363 H CA 0.304 56.257 56.048 -0.158 0.000 1.152 363 H CB 0.185 29.740 29.762 -0.344 0.000 1.407 363 H HN 0.441 nan 8.280 nan 0.000 0.564 364 G N 1.433 110.148 108.800 -0.142 0.000 2.595 364 G HA2 -0.404 3.570 3.960 0.024 0.000 0.297 364 G HA3 -0.404 3.570 3.960 0.024 0.000 0.297 364 G C 0.768 175.587 174.900 -0.136 0.000 1.181 364 G CA 0.483 45.452 45.100 -0.219 0.000 0.963 364 G HN 0.470 nan 8.290 nan 0.000 0.541 365 Q N -0.090 119.671 119.800 -0.065 0.000 2.219 365 Q HA 0.486 4.840 4.340 0.024 0.000 0.209 365 Q C 0.312 176.436 176.000 0.206 0.000 0.854 365 Q CA -0.122 55.696 55.803 0.026 0.000 0.960 365 Q CB 1.497 30.148 28.738 -0.144 0.000 1.116 365 Q HN 0.365 nan 8.270 nan 0.000 0.500 366 V N 2.106 122.106 119.914 0.144 0.000 2.488 366 V HA 0.157 4.292 4.120 0.024 0.000 0.277 366 V C 0.123 176.273 176.094 0.093 0.000 1.046 366 V CA 0.236 62.614 62.300 0.131 0.000 0.986 366 V CB 0.915 32.756 31.823 0.030 0.000 0.989 366 V HN 0.322 nan 8.190 nan 0.000 0.475 367 M N 5.380 125.032 119.600 0.087 0.000 2.508 367 M HA 0.521 5.015 4.480 0.024 0.000 0.327 367 M C -0.460 175.792 176.300 -0.081 0.000 1.160 367 M CA -0.576 54.732 55.300 0.014 0.000 0.980 367 M CB 1.923 34.497 32.600 -0.044 0.000 1.693 367 M HN 0.857 nan 8.290 nan 0.000 0.452 368 D N 0.173 120.537 120.400 -0.060 0.000 2.547 368 D HA 0.219 4.874 4.640 0.024 0.000 0.231 368 D C 0.100 176.376 176.300 -0.039 0.000 1.099 368 D CA -0.418 53.544 54.000 -0.063 0.000 0.901 368 D CB 1.900 42.688 40.800 -0.020 0.000 1.478 368 D HN 0.717 nan 8.370 nan 0.000 0.471 369 E N -0.064 120.122 120.200 -0.022 0.000 2.058 369 E HA -0.287 4.077 4.350 0.024 0.000 0.194 369 E C 1.413 178.050 176.600 0.063 0.000 0.997 369 E CA 1.624 58.039 56.400 0.025 0.000 0.801 369 E CB 0.179 29.909 29.700 0.050 0.000 0.746 369 E HN 0.276 nan 8.360 nan 0.000 0.450 370 Q N 0.024 119.863 119.800 0.065 0.000 2.061 370 Q HA -0.122 4.232 4.340 0.024 0.000 0.204 370 Q C 2.253 178.312 176.000 0.099 0.000 0.984 370 Q CA 2.167 58.020 55.803 0.083 0.000 0.846 370 Q CB -0.833 27.953 28.738 0.080 0.000 0.902 370 Q HN 0.324 nan 8.270 nan 0.000 0.421 371 T N 0.554 115.175 114.554 0.113 0.000 2.821 371 T HA -0.085 4.279 4.350 0.024 0.000 0.267 371 T C 1.846 176.626 174.700 0.134 0.000 1.046 371 T CA 1.344 63.526 62.100 0.138 0.000 1.139 371 T CB -0.152 68.822 68.868 0.177 0.000 0.871 371 T HN 0.235 nan 8.240 nan 0.000 0.454 372 M N 0.602 120.280 119.600 0.131 0.000 2.132 372 M HA -0.058 4.436 4.480 0.024 0.000 0.263 372 M C 2.463 178.868 176.300 0.174 0.000 1.065 372 M CA 1.161 56.601 55.300 0.233 0.000 1.122 372 M CB -0.640 32.135 32.600 0.293 0.000 1.365 372 M HN 0.079 nan 8.290 nan 0.000 0.411 373 V N 0.523 120.487 119.914 0.083 0.000 2.407 373 V HA -0.295 3.839 4.120 0.024 0.000 0.248 373 V C 2.376 178.448 176.094 -0.037 0.000 1.055 373 V CA 2.116 64.401 62.300 -0.025 0.000 1.049 373 V CB -0.865 30.986 31.823 0.046 0.000 0.662 373 V HN 0.566 nan 8.190 nan 0.000 0.455 374 Q N -0.271 119.560 119.800 0.052 0.000 2.084 374 Q HA -0.262 4.093 4.340 0.024 0.000 0.202 374 Q C 1.922 177.988 176.000 0.111 0.000 0.978 374 Q CA 2.120 57.973 55.803 0.083 0.000 0.844 374 Q CB -0.125 28.683 28.738 0.116 0.000 0.898 374 Q HN 0.607 nan 8.270 nan 0.000 0.426 375 D N 0.341 120.820 120.400 0.131 0.000 2.117 375 D HA -0.120 4.535 4.640 0.024 0.000 0.198 375 D C 1.929 178.160 176.300 -0.115 0.000 0.982 375 D CA 1.076 55.144 54.000 0.114 0.000 0.828 375 D CB -0.144 40.709 40.800 0.087 0.000 0.967 375 D HN 0.360 nan 8.370 nan 0.000 0.464 376 I N 0.672 121.167 120.570 -0.126 0.000 2.226 376 I HA -0.243 3.941 4.170 0.024 0.000 0.245 376 I C 2.403 178.354 176.117 -0.276 0.000 1.100 376 I CA 0.706 61.825 61.300 -0.301 0.000 1.374 376 I CB -0.146 37.555 38.000 -0.498 0.000 1.057 376 I HN 0.001 nan 8.210 nan 0.000 0.413 377 L N 0.063 121.165 121.223 -0.201 0.000 2.046 377 L HA -0.226 4.129 4.340 0.024 0.000 0.208 377 L C 2.551 179.470 176.870 0.081 0.000 1.077 377 L CA 1.356 56.171 54.840 -0.041 0.000 0.747 377 L CB -0.556 41.513 42.059 0.017 0.000 0.896 377 L HN 0.280 nan 8.230 nan 0.000 0.432 378 L N -0.964 120.330 121.223 0.117 0.000 2.083 378 L HA -0.225 4.129 4.340 0.024 0.000 0.209 378 L C 2.664 179.689 176.870 0.259 0.000 1.083 378 L CA 1.252 56.255 54.840 0.272 0.000 0.752 378 L CB -0.277 42.067 42.059 0.475 0.000 0.899 378 L HN 0.283 nan 8.230 nan 0.000 0.433 379 M N -0.655 118.908 119.600 -0.061 0.000 2.067 379 M HA -0.236 4.258 4.480 0.024 0.000 0.260 379 M C 2.274 178.640 176.300 0.110 0.000 1.069 379 M CA 1.857 57.060 55.300 -0.163 0.000 1.117 379 M CB -0.351 31.916 32.600 -0.555 0.000 1.334 379 M HN 0.054 nan 8.290 nan 0.000 0.407 380 K N 0.009 120.357 120.400 -0.087 0.000 2.057 380 K HA -0.175 4.159 4.320 0.024 0.000 0.207 380 K C 2.004 178.535 176.600 -0.116 0.000 1.049 380 K CA 1.323 57.423 56.287 -0.312 0.000 0.931 380 K CB -0.273 31.763 32.500 -0.774 0.000 0.714 380 K HN 0.466 nan 8.250 nan 0.000 0.440 381 Q N 0.407 120.338 119.800 0.219 0.000 2.291 381 Q HA -0.065 4.289 4.340 0.024 0.000 0.206 381 Q C 0.876 177.198 176.000 0.536 0.000 0.976 381 Q CA 0.835 56.909 55.803 0.452 0.000 0.875 381 Q CB 0.097 29.070 28.738 0.391 0.000 0.927 381 Q HN 0.287 nan 8.270 nan 0.000 0.450 382 N N 0.394 119.350 118.700 0.427 0.000 2.273 382 N HA 0.054 4.808 4.740 0.024 0.000 0.231 382 N C -0.636 174.998 175.510 0.207 0.000 1.134 382 N CA 0.031 53.327 53.050 0.410 0.000 0.856 382 N CB 0.736 39.543 38.487 0.532 0.000 1.068 382 N HN 0.168 nan 8.380 nan 0.000 0.510 383 N N 0.145 118.973 118.700 0.213 0.000 2.782 383 N HA -0.179 4.576 4.740 0.024 0.000 0.251 383 N C -0.834 174.598 175.510 -0.130 0.000 1.101 383 N CA 0.778 53.892 53.050 0.107 0.000 0.764 383 N CB -1.724 36.742 38.487 -0.034 0.000 1.122 383 N HN 0.233 nan 8.380 nan 0.000 0.561 384 F N 1.190 121.162 119.950 0.037 0.000 2.375 384 F HA 0.313 4.854 4.527 0.023 0.000 0.333 384 F C 1.771 177.571 175.800 0.000 0.000 1.104 384 F CA -0.567 57.440 58.000 0.012 0.000 1.149 384 F CB 0.744 39.727 39.000 -0.028 0.000 1.190 384 F HN 0.033 nan 8.300 nan 0.000 0.533 385 N N 0.408 119.228 118.700 0.201 0.000 2.170 385 N HA 0.460 5.214 4.740 0.024 0.000 0.222 385 N C -0.855 174.705 175.510 0.083 0.000 1.218 385 N CA -0.057 53.038 53.050 0.075 0.000 0.889 385 N CB 0.756 39.326 38.487 0.138 0.000 1.083 385 N HN 0.485 nan 8.380 nan 0.000 0.520 386 A N -0.565 122.381 122.820 0.211 0.000 2.594 386 A HA 0.766 5.100 4.320 0.024 0.000 0.295 386 A C -1.754 176.058 177.584 0.380 0.000 1.071 386 A CA -0.736 51.491 52.037 0.316 0.000 0.685 386 A CB 1.830 21.030 19.000 0.333 0.000 1.285 386 A HN 0.233 nan 8.150 nan 0.000 0.405 387 V N 1.141 121.340 119.914 0.476 0.000 2.888 387 V HA 0.787 4.921 4.120 0.024 0.000 0.309 387 V C -0.695 175.563 176.094 0.274 0.000 1.114 387 V CA -0.679 61.854 62.300 0.389 0.000 0.940 387 V CB 1.895 33.872 31.823 0.257 0.000 1.021 387 V HN 1.136 nan 8.190 nan 0.000 0.426 388 R N 4.829 125.327 120.500 -0.003 0.000 2.393 388 R HA 0.482 4.836 4.340 0.024 0.000 0.310 388 R C -0.585 175.564 176.300 -0.252 0.000 0.968 388 R CA -0.466 55.426 56.100 -0.347 0.000 0.867 388 R CB 1.166 31.000 30.300 -0.776 0.000 1.124 388 R HN 0.820 nan 8.270 nan 0.000 0.450 389 C N 4.389 123.568 119.300 -0.202 0.000 3.329 389 C HA 0.091 4.565 4.460 0.024 0.000 0.537 389 C C 0.483 175.171 174.990 -0.503 0.000 1.034 389 C CA -0.357 58.488 59.018 -0.289 0.000 1.086 389 C CB -2.252 25.443 27.740 -0.076 0.000 1.392 389 C HN 0.704 nan 8.230 nan 0.000 0.612 390 S N 1.323 116.599 115.700 -0.706 0.000 2.465 390 S HA 0.191 4.675 4.470 0.024 0.000 0.280 390 S C -0.161 173.539 174.600 -1.499 0.000 1.232 390 S CA 0.108 57.629 58.200 -1.133 0.000 1.066 390 S CB 0.153 62.650 63.200 -1.172 0.000 0.929 390 S HN 0.724 nan 8.310 nan 0.000 0.494 391 H N 3.674 122.180 119.070 -0.940 0.000 2.439 391 H HA 0.317 4.887 4.556 0.024 0.000 0.228 391 H C -1.227 173.993 175.328 -0.180 0.000 1.423 391 H CA -0.356 55.498 56.048 -0.323 0.000 1.386 391 H CB -0.050 29.710 29.762 -0.004 0.000 1.641 391 H HN 0.893 nan 8.280 nan 0.000 0.508 392 Y N -2.621 117.777 120.300 0.164 0.000 2.687 392 Y HA 0.398 4.963 4.550 0.025 0.000 0.338 392 Y C -3.353 172.651 175.900 0.173 0.000 1.189 392 Y CA -3.057 55.148 58.100 0.176 0.000 1.097 392 Y CB 0.075 38.643 38.460 0.181 0.000 1.342 392 Y HN -0.058 nan 8.280 nan 0.000 0.461 393 P HA 0.157 nan 4.420 nan 0.000 0.268 393 P C -0.597 176.990 177.300 0.479 0.000 1.205 393 P CA 0.170 63.514 63.100 0.407 0.000 0.771 393 P CB 0.592 32.467 31.700 0.291 0.000 0.858 394 N N 0.357 119.358 118.700 0.502 0.000 2.491 394 N HA 0.109 4.863 4.740 0.024 0.000 0.279 394 N C 0.015 175.776 175.510 0.419 0.000 1.236 394 N CA -0.619 52.643 53.050 0.354 0.000 0.982 394 N CB 0.353 38.850 38.487 0.017 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 2.240 121.426 119.070 0.193 0.000 3.001 395 H HA 0.006 4.576 4.556 0.024 0.000 0.334 395 H C -1.602 173.896 175.328 0.283 0.000 1.034 395 H CA -0.786 55.359 56.048 0.162 0.000 1.420 395 H CB 1.038 30.862 29.762 0.103 0.000 1.405 395 H HN 0.425 nan 8.280 nan 0.000 0.593 396 P HA -0.213 nan 4.420 nan 0.000 0.217 396 P C 1.763 179.369 177.300 0.510 0.000 1.148 396 P CA 0.803 64.150 63.100 0.412 0.000 0.828 396 P CB 0.234 32.024 31.700 0.151 0.000 0.783 397 L N -1.195 120.396 121.223 0.614 0.000 2.201 397 L HA -0.024 4.331 4.340 0.024 0.000 0.212 397 L C 2.452 179.466 176.870 0.241 0.000 1.105 397 L CA 1.309 56.374 54.840 0.374 0.000 0.775 397 L CB -1.271 40.966 42.059 0.297 0.000 0.913 397 L HN -0.000 nan 8.230 nan 0.000 0.440 398 W N -0.362 120.958 121.300 0.033 0.000 2.335 398 W HA -0.332 4.342 4.660 0.023 0.000 0.311 398 W C 2.074 178.421 176.519 -0.285 0.000 1.213 398 W CA 2.046 59.268 57.345 -0.206 0.000 1.274 398 W CB -0.431 28.811 29.460 -0.365 0.000 1.148 398 W HN 0.272 nan 8.180 nan 0.000 0.498 399 Y N 0.859 121.073 120.300 -0.143 0.000 2.224 399 Y HA -0.211 4.353 4.550 0.024 0.000 0.289 399 Y C 2.844 178.516 175.900 -0.379 0.000 1.146 399 Y CA 2.142 59.951 58.100 -0.484 0.000 1.182 399 Y CB -1.323 36.490 38.460 -1.078 0.000 0.983 399 Y HN -0.210 nan 8.280 nan 0.000 0.524 400 T N 0.719 115.275 114.554 0.003 0.000 2.708 400 T HA -0.170 4.195 4.350 0.024 0.000 0.266 400 T C 2.013 176.744 174.700 0.051 0.000 1.037 400 T CA 1.489 63.671 62.100 0.137 0.000 1.146 400 T CB -0.599 68.392 68.868 0.205 0.000 0.865 400 T HN 0.236 nan 8.240 nan 0.000 0.435 401 L N 0.415 121.620 121.223 -0.030 0.000 2.046 401 L HA -0.119 4.236 4.340 0.024 0.000 0.208 401 L C 2.918 179.756 176.870 -0.054 0.000 1.077 401 L CA 0.947 55.788 54.840 0.002 0.000 0.747 401 L CB -0.772 41.242 42.059 -0.076 0.000 0.896 401 L HN 0.381 nan 8.230 nan 0.000 0.432 402 C N -0.251 118.860 119.300 -0.316 0.000 2.429 402 C HA -0.153 4.321 4.460 0.024 0.000 0.277 402 C C 2.449 177.488 174.990 0.082 0.000 1.262 402 C CA 0.480 59.354 59.018 -0.241 0.000 1.733 402 C CB -0.806 26.683 27.740 -0.418 0.000 2.010 402 C HN 0.543 nan 8.230 nan 0.000 0.483 403 D N 0.451 120.908 120.400 0.094 0.000 2.123 403 D HA -0.116 4.539 4.640 0.024 0.000 0.196 403 D C 2.380 178.909 176.300 0.381 0.000 0.992 403 D CA 1.297 55.439 54.000 0.236 0.000 0.833 403 D CB -0.341 40.556 40.800 0.162 0.000 0.954 403 D HN 0.549 nan 8.370 nan 0.000 0.455 404 R N -1.126 119.484 120.500 0.183 0.000 2.100 404 R HA 0.032 4.386 4.340 0.024 0.000 0.220 404 R C 2.111 178.394 176.300 -0.027 0.000 1.091 404 R CA 0.501 56.642 56.100 0.068 0.000 0.986 404 R CB -0.192 30.076 30.300 -0.052 0.000 0.888 404 R HN 0.280 nan 8.270 nan 0.000 0.444 405 Y N 0.141 120.448 120.300 0.012 0.000 2.475 405 Y HA 0.172 4.736 4.550 0.024 0.000 0.289 405 Y C 0.976 176.805 175.900 -0.117 0.000 1.121 405 Y CA 0.735 58.813 58.100 -0.036 0.000 1.257 405 Y CB 0.704 39.111 38.460 -0.087 0.000 1.026 405 Y HN 0.241 nan 8.280 nan 0.000 0.555 406 G N 1.294 110.131 108.800 0.061 0.000 2.894 406 G HA2 -0.163 3.811 3.960 0.024 0.000 0.263 406 G HA3 -0.163 3.811 3.960 0.024 0.000 0.263 406 G C -1.130 173.618 174.900 -0.253 0.000 1.013 406 G CA -0.538 44.473 45.100 -0.148 0.000 1.226 406 G HN 0.164 nan 8.290 nan 0.000 0.563 407 L N 0.877 122.023 121.223 -0.129 0.000 2.422 407 L HA 0.537 4.891 4.340 0.024 0.000 0.264 407 L C 0.020 176.864 176.870 -0.042 0.000 0.984 407 L CA -1.362 53.355 54.840 -0.204 0.000 0.819 407 L CB 2.024 43.993 42.059 -0.150 0.000 1.330 407 L HN 0.448 nan 8.230 nan 0.000 0.410 408 Y N 1.609 122.042 120.300 0.222 0.000 2.319 408 Y HA 0.421 4.987 4.550 0.026 0.000 0.328 408 Y C 0.171 176.210 175.900 0.231 0.000 1.133 408 Y CA -0.687 57.579 58.100 0.276 0.000 1.265 408 Y CB 1.351 39.955 38.460 0.239 0.000 1.218 408 Y HN 0.140 nan 8.280 nan 0.000 0.508 409 V N 3.895 124.016 119.914 0.344 0.000 2.735 409 V HA 0.329 4.463 4.120 0.024 0.000 0.310 409 V C -0.689 175.508 176.094 0.171 0.000 1.061 409 V CA -1.031 61.416 62.300 0.245 0.000 0.913 409 V CB 2.063 33.996 31.823 0.183 0.000 1.005 409 V HN 0.467 nan 8.190 nan 0.000 0.428 410 V N 3.175 123.161 119.914 0.121 0.000 2.318 410 V HA 0.332 4.467 4.120 0.024 0.000 0.271 410 V C -0.316 175.827 176.094 0.081 0.000 1.030 410 V CA -0.372 61.945 62.300 0.028 0.000 0.844 410 V CB 1.329 33.060 31.823 -0.153 0.000 1.015 410 V HN 0.862 nan 8.190 nan 0.000 0.460 411 D N 4.162 124.656 120.400 0.156 0.000 2.249 411 D HA 0.322 4.976 4.640 0.024 0.000 0.246 411 D C -0.267 176.233 176.300 0.333 0.000 1.114 411 D CA -0.098 54.088 54.000 0.310 0.000 0.854 411 D CB 1.360 42.400 40.800 0.399 0.000 1.132 411 D HN 0.683 nan 8.370 nan 0.000 0.461 412 E N 1.928 122.285 120.200 0.260 0.000 2.199 412 E HA 0.598 4.963 4.350 0.024 0.000 0.265 412 E C -1.041 175.694 176.600 0.225 0.000 0.882 412 E CA -1.047 55.487 56.400 0.224 0.000 0.759 412 E CB 1.337 31.124 29.700 0.145 0.000 1.148 412 E HN 0.476 nan 8.360 nan 0.000 0.412 413 A N 3.984 126.930 122.820 0.210 0.000 2.498 413 A HA 0.022 4.357 4.320 0.024 0.000 0.239 413 A C 0.385 178.091 177.584 0.203 0.000 1.068 413 A CA -0.173 51.965 52.037 0.170 0.000 0.766 413 A CB 0.106 19.171 19.000 0.108 0.000 1.003 413 A HN 0.695 nan 8.150 nan 0.000 0.497 414 N N 1.513 120.340 118.700 0.211 0.000 2.971 414 N HA 0.216 4.970 4.740 0.024 0.000 0.294 414 N C -0.990 174.643 175.510 0.206 0.000 1.210 414 N CA 0.297 53.503 53.050 0.259 0.000 1.157 414 N CB -0.880 37.765 38.487 0.263 0.000 1.450 414 N HN 0.485 nan 8.380 nan 0.000 0.527 415 I N 1.048 121.737 120.570 0.198 0.000 2.497 415 I HA 0.255 4.440 4.170 0.024 0.000 0.284 415 I C -0.606 175.610 176.117 0.165 0.000 1.060 415 I CA -0.611 60.788 61.300 0.165 0.000 1.071 415 I CB 1.732 39.807 38.000 0.124 0.000 1.216 415 I HN 0.237 nan 8.210 nan 0.000 0.442 416 E N 4.305 124.589 120.200 0.141 0.000 2.287 416 E HA 0.384 4.749 4.350 0.024 0.000 0.274 416 E C -0.646 175.989 176.600 0.058 0.000 0.896 416 E CA -0.526 55.924 56.400 0.082 0.000 0.788 416 E CB 1.686 31.404 29.700 0.030 0.000 1.244 416 E HN 0.568 nan 8.360 nan 0.000 0.408 417 T N 0.948 115.527 114.554 0.043 0.000 3.374 417 T HA 0.207 4.571 4.350 0.024 0.000 0.267 417 T C 0.760 175.436 174.700 -0.040 0.000 0.996 417 T CA -0.324 61.815 62.100 0.065 0.000 0.977 417 T CB -0.455 68.453 68.868 0.066 0.000 1.149 417 T HN 0.573 nan 8.240 nan 0.000 0.517 418 N N 1.070 119.668 118.700 -0.171 0.000 2.132 418 N HA -0.111 4.643 4.740 0.024 0.000 0.191 418 N C 2.030 177.401 175.510 -0.232 0.000 1.015 418 N CA 1.358 54.280 53.050 -0.213 0.000 0.864 418 N CB -0.310 38.013 38.487 -0.274 0.000 1.006 418 N HN 0.623 nan 8.380 nan 0.000 0.430 419 G N -0.221 108.350 108.800 -0.381 0.000 2.920 419 G HA2 0.019 3.994 3.960 0.024 0.000 0.208 419 G HA3 0.019 3.994 3.960 0.024 0.000 0.208 419 G C 0.473 175.453 174.900 0.134 0.000 1.159 419 G CA -0.136 44.823 45.100 -0.235 0.000 0.784 419 G HN 0.128 nan 8.290 nan 0.000 0.535 420 M N 0.523 120.240 119.600 0.195 0.000 2.232 420 M HA 0.293 4.787 4.480 0.024 0.000 0.321 420 M C -0.291 176.021 176.300 0.021 0.000 1.101 420 M CA -0.306 55.072 55.300 0.129 0.000 1.181 420 M CB 1.344 33.974 32.600 0.050 0.000 1.432 420 M HN -0.206 nan 8.290 nan 0.000 0.457 421 V N 4.050 123.964 119.914 -0.001 0.000 2.443 421 V HA 0.375 4.510 4.120 0.024 0.000 0.293 421 V C -1.911 174.165 176.094 -0.031 0.000 1.021 421 V CA -1.351 60.934 62.300 -0.025 0.000 0.848 421 V CB 1.714 33.520 31.823 -0.028 0.000 0.998 421 V HN 0.737 nan 8.190 nan 0.000 0.424 422 P HA 0.196 nan 4.420 nan 0.000 0.275 422 P C 1.021 178.307 177.300 -0.024 0.000 1.270 422 P CA -0.433 62.650 63.100 -0.029 0.000 0.791 422 P CB 0.992 32.680 31.700 -0.021 0.000 1.089 423 M N 0.546 120.133 119.600 -0.021 0.000 2.202 423 M HA -0.175 4.319 4.480 0.024 0.000 0.262 423 M C 1.202 177.512 176.300 0.017 0.000 1.063 423 M CA 1.893 57.188 55.300 -0.009 0.000 1.097 423 M CB -0.473 32.117 32.600 -0.018 0.000 1.382 423 M HN 0.374 nan 8.290 nan 0.000 0.413 424 N N -0.141 118.574 118.700 0.025 0.000 2.276 424 N HA -0.064 4.691 4.740 0.024 0.000 0.212 424 N C 1.119 176.609 175.510 -0.033 0.000 1.127 424 N CA 0.111 53.180 53.050 0.032 0.000 0.834 424 N CB -0.727 37.800 38.487 0.066 0.000 1.014 424 N HN 0.371 nan 8.380 nan 0.000 0.491 425 R N 0.505 120.972 120.500 -0.056 0.000 2.103 425 R HA -0.041 4.313 4.340 0.024 0.000 0.242 425 R C 1.415 177.623 176.300 -0.154 0.000 1.142 425 R CA 1.403 57.448 56.100 -0.091 0.000 0.960 425 R CB -0.072 30.172 30.300 -0.094 0.000 0.858 425 R HN 0.290 nan 8.270 nan 0.000 0.439 426 L N -0.487 120.586 121.223 -0.251 0.000 2.127 426 L HA -0.026 4.329 4.340 0.024 0.000 0.203 426 L C 2.543 179.289 176.870 -0.207 0.000 1.080 426 L CA 1.393 55.973 54.840 -0.433 0.000 0.768 426 L CB -0.609 40.953 42.059 -0.829 0.000 0.924 426 L HN 0.368 nan 8.230 nan 0.000 0.444 427 T N -4.303 110.155 114.554 -0.160 0.000 3.007 427 T HA -0.162 4.202 4.350 0.024 0.000 0.270 427 T C 1.292 175.903 174.700 -0.148 0.000 1.107 427 T CA 1.178 63.166 62.100 -0.188 0.000 1.118 427 T CB -0.213 68.505 68.868 -0.250 0.000 0.889 427 T HN 0.108 nan 8.240 nan 0.000 0.506 428 D N 1.061 121.410 120.400 -0.084 0.000 2.349 428 D HA 0.113 4.768 4.640 0.024 0.000 0.214 428 D C -0.265 176.015 176.300 -0.033 0.000 1.063 428 D CA -0.216 53.743 54.000 -0.068 0.000 0.847 428 D CB -0.088 40.680 40.800 -0.053 0.000 0.933 428 D HN 0.333 nan 8.370 nan 0.000 0.513 429 D N -0.136 120.263 120.400 -0.001 0.000 2.280 429 D HA 0.137 4.791 4.640 0.024 0.000 0.236 429 D C -1.734 174.615 176.300 0.082 0.000 1.082 429 D CA -2.182 51.854 54.000 0.060 0.000 0.834 429 D CB 2.103 42.984 40.800 0.135 0.000 1.100 429 D HN -0.047 nan 8.370 nan 0.000 0.486 430 P HA -0.068 nan 4.420 nan 0.000 0.222 430 P C 0.976 178.271 177.300 -0.008 0.000 1.147 430 P CA 0.660 63.763 63.100 0.006 0.000 0.790 430 P CB 0.302 31.995 31.700 -0.011 0.000 0.780 431 R N -1.646 118.855 120.500 0.001 0.000 2.237 431 R HA -0.071 4.283 4.340 0.024 0.000 0.219 431 R C 1.398 177.551 176.300 -0.245 0.000 1.080 431 R CA 1.075 57.105 56.100 -0.115 0.000 0.995 431 R CB -0.561 29.663 30.300 -0.126 0.000 0.875 431 R HN 0.328 nan 8.270 nan 0.000 0.462 432 W N -0.013 121.230 121.300 -0.095 0.000 3.278 432 W HA 0.143 4.817 4.660 0.023 0.000 0.308 432 W C 1.495 177.953 176.519 -0.101 0.000 1.253 432 W CA -0.537 56.751 57.345 -0.095 0.000 1.759 432 W CB 0.004 29.407 29.460 -0.096 0.000 1.093 432 W HN -0.003 nan 8.180 nan 0.000 0.648 433 L N 2.023 123.267 121.223 0.034 0.000 2.046 433 L HA -0.041 4.313 4.340 0.024 0.000 0.208 433 L C -0.653 176.179 176.870 -0.064 0.000 1.077 433 L CA 2.230 57.054 54.840 -0.026 0.000 0.747 433 L CB -1.639 40.394 42.059 -0.043 0.000 0.896 433 L HN -0.236 nan 8.230 nan 0.000 0.432 434 P HA -0.162 nan 4.420 nan 0.000 0.214 434 P C 1.628 178.874 177.300 -0.091 0.000 1.163 434 P CA 2.228 65.264 63.100 -0.107 0.000 0.883 434 P CB -0.210 31.415 31.700 -0.126 0.000 0.788 435 A N -1.074 121.706 122.820 -0.068 0.000 1.902 435 A HA -0.205 4.129 4.320 0.024 0.000 0.217 435 A C 2.217 179.814 177.584 0.022 0.000 1.181 435 A CA 2.005 54.038 52.037 -0.007 0.000 0.623 435 A CB -1.492 17.544 19.000 0.058 0.000 0.818 435 A HN 0.110 nan 8.150 nan 0.000 0.443 436 M N 0.303 119.926 119.600 0.037 0.000 2.175 436 M HA -0.145 4.349 4.480 0.024 0.000 0.264 436 M C 2.512 178.759 176.300 -0.089 0.000 1.063 436 M CA 1.670 56.967 55.300 -0.004 0.000 1.119 436 M CB -0.391 32.185 32.600 -0.040 0.000 1.377 436 M HN 0.675 nan 8.290 nan 0.000 0.415 437 S N 0.544 116.164 115.700 -0.133 0.000 2.370 437 S HA -0.182 4.302 4.470 0.024 0.000 0.226 437 S C 1.587 176.017 174.600 -0.282 0.000 1.033 437 S CA 1.460 59.515 58.200 -0.242 0.000 1.011 437 S CB -0.570 62.464 63.200 -0.277 0.000 0.852 437 S HN 0.546 nan 8.310 nan 0.000 0.457 438 E N 0.904 120.988 120.200 -0.193 0.000 2.204 438 E HA -0.027 4.337 4.350 0.024 0.000 0.194 438 E C 2.366 178.878 176.600 -0.147 0.000 0.989 438 E CA 0.606 56.896 56.400 -0.183 0.000 0.824 438 E CB -0.132 29.499 29.700 -0.115 0.000 0.756 438 E HN 0.575 nan 8.360 nan 0.000 0.477 439 R N 0.239 120.683 120.500 -0.094 0.000 2.148 439 R HA -0.055 4.300 4.340 0.024 0.000 0.223 439 R C 2.221 178.474 176.300 -0.077 0.000 1.088 439 R CA 0.593 56.669 56.100 -0.040 0.000 0.985 439 R CB 0.082 30.396 30.300 0.023 0.000 0.880 439 R HN 0.012 nan 8.270 nan 0.000 0.451 440 V N 0.105 119.925 119.914 -0.157 0.000 2.374 440 V HA -0.180 3.954 4.120 0.024 0.000 0.241 440 V C 2.512 178.412 176.094 -0.324 0.000 1.034 440 V CA 2.143 64.322 62.300 -0.202 0.000 1.037 440 V CB -0.279 31.410 31.823 -0.224 0.000 0.682 440 V HN 0.506 nan 8.190 nan 0.000 0.463 441 T N -0.570 113.662 114.554 -0.536 0.000 2.746 441 T HA -0.247 4.117 4.350 0.024 0.000 0.267 441 T C 1.922 176.458 174.700 -0.274 0.000 1.039 441 T CA 1.461 63.167 62.100 -0.656 0.000 1.142 441 T CB -0.450 67.826 68.868 -0.987 0.000 0.866 441 T HN 0.413 nan 8.240 nan 0.000 0.444 442 R N 0.352 120.719 120.500 -0.221 0.000 2.152 442 R HA 0.151 4.505 4.340 0.024 0.000 0.232 442 R C 2.638 178.855 176.300 -0.138 0.000 1.117 442 R CA 1.440 57.447 56.100 -0.154 0.000 0.981 442 R CB -0.497 29.723 30.300 -0.133 0.000 0.870 442 R HN 0.516 nan 8.270 nan 0.000 0.451 443 M N 0.576 120.096 119.600 -0.133 0.000 2.123 443 M HA -0.125 4.370 4.480 0.024 0.000 0.263 443 M C 1.870 178.074 176.300 -0.160 0.000 1.069 443 M CA 1.631 56.878 55.300 -0.089 0.000 1.133 443 M CB 0.083 32.673 32.600 -0.017 0.000 1.356 443 M HN -0.026 nan 8.290 nan 0.000 0.415 444 V N 1.179 120.882 119.914 -0.352 0.000 2.332 444 V HA -0.298 3.836 4.120 0.024 0.000 0.248 444 V C 2.287 178.276 176.094 -0.176 0.000 1.055 444 V CA 2.060 64.053 62.300 -0.512 0.000 1.038 444 V CB -0.968 30.532 31.823 -0.539 0.000 0.651 444 V HN 0.601 nan 8.190 nan 0.000 0.450 445 Q N -0.779 118.946 119.800 -0.125 0.000 2.224 445 Q HA -0.193 4.161 4.340 0.024 0.000 0.203 445 Q C 2.446 178.362 176.000 -0.139 0.000 0.970 445 Q CA 1.284 57.023 55.803 -0.107 0.000 0.865 445 Q CB -0.136 28.559 28.738 -0.071 0.000 0.922 445 Q HN 0.542 nan 8.270 nan 0.000 0.445 446 R N 0.223 120.636 120.500 -0.146 0.000 2.112 446 R HA -0.072 4.282 4.340 0.024 0.000 0.216 446 R C 0.409 176.638 176.300 -0.119 0.000 1.080 446 R CA 1.135 57.125 56.100 -0.183 0.000 0.996 446 R CB 0.497 30.687 30.300 -0.183 0.000 0.902 446 R HN 0.121 nan 8.270 nan 0.000 0.449 447 D N -0.206 120.188 120.400 -0.010 0.000 2.398 447 D HA 0.009 4.664 4.640 0.024 0.000 0.210 447 D C 1.214 177.615 176.300 0.168 0.000 1.094 447 D CA 0.073 54.112 54.000 0.065 0.000 0.839 447 D CB 0.322 41.108 40.800 -0.023 0.000 0.963 447 D HN 0.339 nan 8.370 nan 0.000 0.506 448 R N 0.544 121.161 120.500 0.194 0.000 2.241 448 R HA 0.007 4.361 4.340 0.024 0.000 0.224 448 R C 0.757 177.064 176.300 0.012 0.000 1.101 448 R CA 0.868 57.103 56.100 0.225 0.000 0.995 448 R CB -0.289 30.087 30.300 0.127 0.000 0.870 448 R HN -0.070 nan 8.270 nan 0.000 0.463 449 N N 0.224 118.860 118.700 -0.108 0.000 2.280 449 N HA 0.006 4.761 4.740 0.024 0.000 0.192 449 N C -0.507 174.873 175.510 -0.217 0.000 1.109 449 N CA 0.193 53.142 53.050 -0.169 0.000 0.855 449 N CB 0.148 38.500 38.487 -0.225 0.000 0.974 449 N HN 0.285 nan 8.380 nan 0.000 0.482 450 H N 1.454 120.459 119.070 -0.108 0.000 2.742 450 H HA 0.102 4.672 4.556 0.024 0.000 0.302 450 H C -1.200 173.977 175.328 -0.250 0.000 1.069 450 H CA -1.131 54.838 56.048 -0.132 0.000 1.446 450 H CB 1.567 31.288 29.762 -0.069 0.000 1.462 450 H HN 0.060 nan 8.280 nan 0.000 0.499 451 P HA -0.137 nan 4.420 nan 0.000 0.221 451 P C 1.411 178.242 177.300 -0.783 0.000 1.150 451 P CA 0.962 63.711 63.100 -0.584 0.000 0.800 451 P CB 0.284 31.392 31.700 -0.988 0.000 0.787 452 S N -0.715 114.638 115.700 -0.577 0.000 2.419 452 S HA -0.048 4.436 4.470 0.024 0.000 0.233 452 S C 1.129 175.710 174.600 -0.032 0.000 1.016 452 S CA 0.350 58.392 58.200 -0.264 0.000 0.974 452 S CB -1.538 61.667 63.200 0.007 0.000 0.786 452 S HN -0.062 nan 8.310 nan 0.000 0.492 453 V N 3.737 123.601 119.914 -0.083 0.000 2.421 453 V HA 0.181 4.316 4.120 0.024 0.000 0.271 453 V C 1.124 177.085 176.094 -0.222 0.000 1.031 453 V CA 0.168 62.385 62.300 -0.138 0.000 1.032 453 V CB 0.154 31.799 31.823 -0.295 0.000 1.009 453 V HN 0.645 nan 8.190 nan 0.000 0.477 454 I N 2.733 123.233 120.570 -0.117 0.000 4.181 454 I HA 0.506 4.690 4.170 0.024 0.000 0.331 454 I C 0.386 176.397 176.117 -0.178 0.000 1.312 454 I CA 0.472 61.705 61.300 -0.112 0.000 1.146 454 I CB 0.497 38.513 38.000 0.027 0.000 1.074 454 I HN 0.314 nan 8.210 nan 0.000 0.402 455 I N 0.299 120.747 120.570 -0.203 0.000 2.656 455 I HA 0.366 4.550 4.170 0.024 0.000 0.292 455 I C -1.502 174.534 176.117 -0.134 0.000 1.144 455 I CA -0.397 60.826 61.300 -0.127 0.000 1.038 455 I CB 2.122 40.139 38.000 0.027 0.000 1.244 455 I HN 0.038 nan 8.210 nan 0.000 0.420 456 W N 3.770 125.123 121.300 0.089 0.000 2.512 456 W HA 0.630 5.302 4.660 0.021 0.000 0.335 456 W C 0.350 176.939 176.519 0.116 0.000 1.088 456 W CA -0.646 56.757 57.345 0.096 0.000 1.236 456 W CB 1.726 31.238 29.460 0.087 0.000 1.307 456 W HN 0.298 nan 8.180 nan 0.000 0.567 457 S N 2.299 118.245 115.700 0.411 0.000 2.521 457 S HA 0.366 4.850 4.470 0.024 0.000 0.295 457 S C 0.289 175.062 174.600 0.287 0.000 1.098 457 S CA -0.701 57.684 58.200 0.307 0.000 0.999 457 S CB 0.843 64.179 63.200 0.226 0.000 1.034 457 S HN 0.583 nan 8.310 nan 0.000 0.483 458 L N 4.007 125.398 121.223 0.281 0.000 2.551 458 L HA 0.283 4.638 4.340 0.024 0.000 0.228 458 L C 1.457 178.418 176.870 0.151 0.000 1.153 458 L CA 0.705 55.636 54.840 0.151 0.000 0.851 458 L CB -1.123 40.910 42.059 -0.044 0.000 0.959 458 L HN 1.000 nan 8.230 nan 0.000 0.451 459 G N -0.088 108.884 108.800 0.287 0.000 2.265 459 G HA2 -0.128 3.846 3.960 0.024 0.000 0.246 459 G HA3 -0.128 3.846 3.960 0.024 0.000 0.246 459 G C -1.590 173.527 174.900 0.361 0.000 1.299 459 G CA -0.446 44.825 45.100 0.284 0.000 1.117 459 G HN 0.184 nan 8.290 nan 0.000 0.485 460 N N 0.018 118.869 118.700 0.252 0.000 2.405 460 N HA 0.472 5.226 4.740 0.024 0.000 0.274 460 N C -0.467 175.040 175.510 -0.004 0.000 1.170 460 N CA 0.159 53.222 53.050 0.022 0.000 0.848 460 N CB 1.610 39.830 38.487 -0.444 0.000 1.629 460 N HN 0.914 nan 8.380 nan 0.000 0.481 461 E N 0.543 120.684 120.200 -0.098 0.000 2.197 461 E HA -0.174 4.191 4.350 0.024 0.000 0.184 461 E C -0.880 175.733 176.600 0.022 0.000 1.439 461 E CA 0.801 57.144 56.400 -0.095 0.000 0.688 461 E CB -1.303 28.278 29.700 -0.198 0.000 1.090 461 E HN 0.428 nan 8.360 nan 0.000 0.341 462 S N 0.096 115.912 115.700 0.193 0.000 2.902 462 S HA 0.406 4.890 4.470 0.024 0.000 0.250 462 S C 0.605 175.387 174.600 0.303 0.000 1.046 462 S CA -0.171 58.169 58.200 0.232 0.000 1.069 462 S CB 1.352 64.743 63.200 0.318 0.000 0.967 462 S HN 0.829 nan 8.310 nan 0.000 0.530 463 G N 2.003 110.921 108.800 0.197 0.000 2.598 463 G HA2 -0.271 3.703 3.960 0.024 0.000 0.269 463 G HA3 -0.271 3.703 3.960 0.024 0.000 0.269 463 G C -0.487 174.626 174.900 0.355 0.000 1.289 463 G CA -0.083 45.130 45.100 0.188 0.000 0.926 463 G HN 0.663 nan 8.290 nan 0.000 0.567 464 H N 0.444 119.638 119.070 0.207 0.000 2.727 464 H HA 0.582 5.152 4.556 0.024 0.000 0.330 464 H C 0.333 175.831 175.328 0.284 0.000 0.986 464 H CA -0.113 56.096 56.048 0.268 0.000 1.251 464 H CB 0.728 30.587 29.762 0.161 0.000 1.493 464 H HN 1.036 nan 8.280 nan 0.000 0.515 465 G N 1.518 110.408 108.800 0.150 0.000 2.630 465 G HA2 0.446 4.420 3.960 0.024 0.000 0.296 465 G HA3 0.446 4.420 3.960 0.024 0.000 0.296 465 G C 0.502 175.268 174.900 -0.224 0.000 1.285 465 G CA -0.166 44.850 45.100 -0.139 0.000 0.958 465 G HN 0.671 nan 8.290 nan 0.000 0.479 466 A N 0.182 122.902 122.820 -0.167 0.000 2.024 466 A HA -0.086 4.248 4.320 0.024 0.000 0.220 466 A C 2.110 179.661 177.584 -0.054 0.000 1.164 466 A CA 1.869 53.848 52.037 -0.097 0.000 0.643 466 A CB -0.430 18.538 19.000 -0.055 0.000 0.806 466 A HN 0.528 nan 8.150 nan 0.000 0.451 467 N N -0.181 118.450 118.700 -0.115 0.000 2.223 467 N HA -0.151 4.604 4.740 0.024 0.000 0.185 467 N C 1.374 176.814 175.510 -0.116 0.000 1.016 467 N CA 1.746 54.718 53.050 -0.131 0.000 0.863 467 N CB -0.663 37.709 38.487 -0.191 0.000 0.983 467 N HN 0.787 nan 8.380 nan 0.000 0.429 468 H N 0.315 119.363 119.070 -0.037 0.000 2.389 468 H HA -0.006 4.564 4.556 0.023 0.000 0.299 468 H C 1.265 176.657 175.328 0.107 0.000 1.081 468 H CA 1.187 57.223 56.048 -0.020 0.000 1.345 468 H CB 0.159 29.906 29.762 -0.024 0.000 1.393 468 H HN 0.186 nan 8.280 nan 0.000 0.520 469 D N 0.418 120.972 120.400 0.256 0.000 2.117 469 D HA -0.116 4.538 4.640 0.024 0.000 0.197 469 D C 2.307 178.757 176.300 0.250 0.000 0.987 469 D CA 1.154 55.309 54.000 0.259 0.000 0.829 469 D CB -0.353 40.567 40.800 0.200 0.000 0.961 469 D HN 0.425 nan 8.370 nan 0.000 0.460 470 A N 0.829 123.744 122.820 0.158 0.000 1.902 470 A HA -0.115 4.220 4.320 0.024 0.000 0.217 470 A C 2.389 180.076 177.584 0.171 0.000 1.181 470 A CA 0.938 53.057 52.037 0.138 0.000 0.623 470 A CB -0.699 18.340 19.000 0.065 0.000 0.818 470 A HN 0.202 nan 8.150 nan 0.000 0.443 471 L N -2.231 119.078 121.223 0.143 0.000 2.240 471 L HA -0.096 4.259 4.340 0.024 0.000 0.211 471 L C 2.519 179.525 176.870 0.226 0.000 1.106 471 L CA 1.210 56.131 54.840 0.135 0.000 0.793 471 L CB -0.627 41.440 42.059 0.013 0.000 0.927 471 L HN 0.597 nan 8.230 nan 0.000 0.446 472 Y N 1.357 121.741 120.300 0.139 0.000 2.097 472 Y HA -0.331 4.230 4.550 0.017 0.000 0.282 472 Y C 2.834 178.822 175.900 0.146 0.000 1.152 472 Y CA 1.748 59.936 58.100 0.147 0.000 1.136 472 Y CB -0.147 38.400 38.460 0.146 0.000 0.975 472 Y HN -0.053 nan 8.280 nan 0.000 0.498 473 R N -0.114 120.503 120.500 0.195 0.000 2.091 473 R HA -0.223 4.131 4.340 0.024 0.000 0.238 473 R C 2.074 178.392 176.300 0.029 0.000 1.136 473 R CA 2.055 58.198 56.100 0.073 0.000 0.959 473 R CB -1.468 28.942 30.300 0.184 0.000 0.856 473 R HN 0.669 nan 8.270 nan 0.000 0.437 474 W N 0.529 121.791 121.300 -0.064 0.000 2.317 474 W HA -0.198 4.477 4.660 0.025 0.000 0.318 474 W C 1.687 178.119 176.519 -0.146 0.000 1.227 474 W CA 2.120 59.411 57.345 -0.090 0.000 1.269 474 W CB -0.303 29.108 29.460 -0.082 0.000 1.155 474 W HN 0.089 nan 8.180 nan 0.000 0.484 475 I N 0.794 121.408 120.570 0.073 0.000 2.226 475 I HA -0.359 3.825 4.170 0.024 0.000 0.245 475 I C 2.420 178.368 176.117 -0.281 0.000 1.100 475 I CA 1.341 62.533 61.300 -0.180 0.000 1.374 475 I CB -0.743 37.202 38.000 -0.093 0.000 1.057 475 I HN -0.078 nan 8.210 nan 0.000 0.413 476 K N 0.563 120.793 120.400 -0.284 0.000 2.103 476 K HA -0.175 4.160 4.320 0.024 0.000 0.207 476 K C 2.298 178.771 176.600 -0.212 0.000 1.048 476 K CA 1.854 57.985 56.287 -0.260 0.000 0.930 476 K CB -0.633 31.671 32.500 -0.327 0.000 0.716 476 K HN 0.391 nan 8.250 nan 0.000 0.444 477 S N 0.424 115.966 115.700 -0.264 0.000 2.377 477 S HA -0.057 4.428 4.470 0.024 0.000 0.223 477 S C 2.145 176.537 174.600 -0.346 0.000 1.030 477 S CA 0.906 58.949 58.200 -0.261 0.000 0.970 477 S CB -0.173 62.888 63.200 -0.232 0.000 0.830 477 S HN 0.006 nan 8.310 nan 0.000 0.473 478 V N 1.458 121.023 119.914 -0.582 0.000 2.548 478 V HA 0.090 4.225 4.120 0.024 0.000 0.249 478 V C 0.757 176.627 176.094 -0.373 0.000 1.055 478 V CA 1.714 63.644 62.300 -0.617 0.000 1.065 478 V CB -0.506 30.604 31.823 -1.189 0.000 0.681 478 V HN 0.635 nan 8.190 nan 0.000 0.462 479 D N -1.227 119.010 120.400 -0.272 0.000 2.429 479 D HA 0.264 4.918 4.640 0.024 0.000 0.255 479 D C -2.277 174.023 176.300 0.000 0.000 1.257 479 D CA -1.661 52.289 54.000 -0.083 0.000 0.890 479 D CB 1.505 42.352 40.800 0.077 0.000 1.267 479 D HN 0.077 nan 8.370 nan 0.000 0.521 480 P HA -0.036 nan 4.420 nan 0.000 0.239 480 P C 1.040 178.360 177.300 0.034 0.000 1.184 480 P CA 0.575 63.672 63.100 -0.006 0.000 0.760 480 P CB 0.160 31.851 31.700 -0.015 0.000 0.884 481 S N -1.764 113.965 115.700 0.048 0.000 2.603 481 S HA 0.117 4.602 4.470 0.024 0.000 0.220 481 S C 0.783 175.406 174.600 0.038 0.000 0.967 481 S CA -0.133 58.097 58.200 0.050 0.000 0.920 481 S CB -0.286 62.937 63.200 0.039 0.000 0.773 481 S HN 0.042 nan 8.310 nan 0.000 0.529 482 R N 1.175 121.708 120.500 0.055 0.000 2.574 482 R HA 0.515 4.870 4.340 0.024 0.000 0.288 482 R C -3.212 173.131 176.300 0.072 0.000 1.004 482 R CA -2.139 53.955 56.100 -0.011 0.000 0.895 482 R CB 1.579 31.739 30.300 -0.234 0.000 1.191 482 R HN 0.136 nan 8.270 nan 0.000 0.444 483 P HA 0.038 nan 4.420 nan 0.000 0.270 483 P C -0.795 176.611 177.300 0.175 0.000 1.223 483 P CA -0.298 62.865 63.100 0.106 0.000 0.785 483 P CB 0.645 32.395 31.700 0.083 0.000 0.923 484 V N 2.205 122.251 119.914 0.220 0.000 2.495 484 V HA 0.403 4.537 4.120 0.024 0.000 0.298 484 V C 0.176 176.457 176.094 0.311 0.000 1.031 484 V CA -0.304 62.176 62.300 0.299 0.000 0.871 484 V CB 1.166 33.138 31.823 0.248 0.000 0.988 484 V HN 0.597 nan 8.190 nan 0.000 0.432 485 Q N 3.891 123.856 119.800 0.275 0.000 2.433 485 Q HA 0.817 5.171 4.340 0.024 0.000 0.279 485 Q C -1.818 174.347 176.000 0.274 0.000 1.105 485 Q CA -0.922 55.011 55.803 0.216 0.000 0.815 485 Q CB 2.992 31.804 28.738 0.124 0.000 1.403 485 Q HN 0.653 nan 8.270 nan 0.000 0.435 486 Y N 0.223 120.543 120.300 0.034 0.000 2.357 486 Y HA 0.137 4.700 4.550 0.022 0.000 0.319 486 Y C -0.654 175.199 175.900 -0.078 0.000 1.225 486 Y CA -0.708 57.382 58.100 -0.017 0.000 1.095 486 Y CB 1.951 40.391 38.460 -0.034 0.000 1.302 486 Y HN 0.952 nan 8.280 nan 0.000 0.429 487 E N 3.476 123.179 120.200 -0.830 0.000 2.318 487 E HA 0.141 4.506 4.350 0.024 0.000 0.193 487 E C 0.670 176.850 176.600 -0.700 0.000 0.998 487 E CA 0.745 56.783 56.400 -0.603 0.000 0.859 487 E CB 0.259 29.739 29.700 -0.366 0.000 0.812 487 E HN 0.889 nan 8.360 nan 0.000 0.492 488 G N -0.048 107.954 108.800 -1.330 0.000 2.474 488 G HA2 0.225 4.200 3.960 0.024 0.000 0.233 488 G HA3 0.225 4.200 3.960 0.024 0.000 0.233 488 G C 0.809 175.613 174.900 -0.160 0.000 1.278 488 G CA 0.325 45.089 45.100 -0.560 0.000 0.861 488 G HN 0.365 nan 8.290 nan 0.000 0.567 489 G N -0.441 108.354 108.800 -0.008 0.000 2.147 489 G HA2 0.239 4.213 3.960 0.024 0.000 0.244 489 G HA3 0.239 4.213 3.960 0.024 0.000 0.244 489 G C 1.281 176.206 174.900 0.042 0.000 1.005 489 G CA 0.923 46.070 45.100 0.079 0.000 0.713 489 G HN 2.661 nan 8.290 nan 0.000 0.515 490 G N -1.298 107.519 108.800 0.028 0.000 2.168 490 G HA2 0.418 4.392 3.960 0.024 0.000 0.197 490 G HA3 0.418 4.392 3.960 0.024 0.000 0.197 490 G C 1.110 176.146 174.900 0.227 0.000 0.997 490 G CA 1.237 46.413 45.100 0.128 0.000 0.658 490 G HN 2.379 nan 8.290 nan 0.000 0.513 491 A N -0.398 122.440 122.820 0.031 0.000 3.413 491 A HA -0.107 4.228 4.320 0.024 0.000 0.268 491 A C 1.135 178.666 177.584 -0.088 0.000 1.128 491 A CA 2.615 54.607 52.037 -0.075 0.000 1.062 491 A CB -1.714 17.229 19.000 -0.095 0.000 1.121 491 A HN 2.139 nan 8.150 nan 0.000 0.895 492 D N -1.145 119.282 120.400 0.045 0.000 2.712 492 D HA 0.283 4.938 4.640 0.024 0.000 0.300 492 D C 0.422 176.724 176.300 0.003 0.000 1.521 492 D CA 0.808 54.835 54.000 0.046 0.000 0.790 492 D CB -1.218 39.748 40.800 0.277 0.000 1.155 492 D HN 0.809 nan 8.370 nan 0.000 0.456 493 T N -2.148 112.341 114.554 -0.107 0.000 2.652 493 T HA 0.175 4.540 4.350 0.024 0.000 0.319 493 T C 1.569 176.135 174.700 -0.223 0.000 1.029 493 T CA 0.541 62.504 62.100 -0.229 0.000 0.990 493 T CB 0.622 69.096 68.868 -0.658 0.000 1.098 493 T HN 0.088 nan 8.240 nan 0.000 0.520 494 T N -2.729 111.684 114.554 -0.235 0.000 3.160 494 T HA 0.292 4.656 4.350 0.024 0.000 0.257 494 T C 1.370 175.807 174.700 -0.438 0.000 1.147 494 T CA 0.145 62.115 62.100 -0.218 0.000 1.064 494 T CB -0.437 68.390 68.868 -0.068 0.000 0.949 494 T HN 0.833 nan 8.240 nan 0.000 0.526 495 A N 0.485 123.066 122.820 -0.399 0.000 2.545 495 A HA 0.533 4.867 4.320 0.024 0.000 0.277 495 A C 0.732 178.150 177.584 -0.276 0.000 1.301 495 A CA -0.397 51.380 52.037 -0.434 0.000 0.935 495 A CB 0.151 19.166 19.000 0.025 0.000 1.093 495 A HN 0.408 nan 8.150 nan 0.000 0.519 496 T N -1.274 113.115 114.554 -0.275 0.000 2.921 496 T HA 0.371 4.736 4.350 0.024 0.000 0.297 496 T C -0.543 174.172 174.700 0.024 0.000 1.013 496 T CA -0.424 61.671 62.100 -0.009 0.000 0.990 496 T CB 1.196 70.063 68.868 -0.002 0.000 1.023 496 T HN 0.096 nan 8.240 nan 0.000 0.447 497 D N 2.973 123.476 120.400 0.171 0.000 2.348 497 D HA 0.256 4.910 4.640 0.024 0.000 0.211 497 D C 0.366 176.700 176.300 0.057 0.000 0.998 497 D CA 0.738 54.825 54.000 0.146 0.000 0.873 497 D CB 0.416 41.339 40.800 0.204 0.000 0.925 497 D HN 0.540 nan 8.370 nan 0.000 0.524 498 I N 0.982 121.568 120.570 0.027 0.000 2.498 498 I HA 0.246 4.431 4.170 0.024 0.000 0.290 498 I C -0.172 175.883 176.117 -0.104 0.000 1.032 498 I CA -0.870 60.411 61.300 -0.031 0.000 1.073 498 I CB 2.846 40.842 38.000 -0.007 0.000 1.251 498 I HN -0.351 nan 8.210 nan 0.000 0.426 499 I N 5.865 126.323 120.570 -0.187 0.000 2.494 499 I HA 0.022 4.207 4.170 0.024 0.000 0.289 499 I C 0.179 176.086 176.117 -0.350 0.000 1.106 499 I CA 0.081 61.172 61.300 -0.349 0.000 1.369 499 I CB 0.086 37.769 38.000 -0.529 0.000 1.410 499 I HN 0.677 nan 8.210 nan 0.000 0.523 500 C N 5.859 124.979 119.300 -0.300 0.000 3.273 500 C HA 0.475 4.950 4.460 0.024 0.000 0.227 500 C C -2.179 172.689 174.990 -0.204 0.000 1.409 500 C CA -2.382 56.513 59.018 -0.206 0.000 1.516 500 C CB -0.865 26.812 27.740 -0.104 0.000 1.853 500 C HN 0.406 nan 8.230 nan 0.000 0.472 501 P HA 0.300 nan 4.420 nan 0.000 0.272 501 P C -0.417 176.847 177.300 -0.059 0.000 1.240 501 P CA 0.359 63.379 63.100 -0.134 0.000 0.791 501 P CB 0.765 32.407 31.700 -0.097 0.000 0.978 502 M N 0.500 120.091 119.600 -0.015 0.000 2.167 502 M HA 0.446 4.940 4.480 0.024 0.000 0.333 502 M C -0.676 175.615 176.300 -0.015 0.000 1.030 502 M CA -0.668 54.519 55.300 -0.188 0.000 0.963 502 M CB 1.101 33.589 32.600 -0.188 0.000 1.589 502 M HN 0.342 nan 8.290 nan 0.000 0.431 503 Y N -0.417 120.060 120.300 0.295 0.000 4.668 503 Y HA -0.223 4.342 4.550 0.025 0.000 0.234 503 Y C 0.530 176.611 175.900 0.302 0.000 1.056 503 Y CA 0.387 58.665 58.100 0.296 0.000 2.025 503 Y CB -2.261 36.345 38.460 0.244 0.000 1.613 503 Y HN 0.973 nan 8.280 nan 0.000 0.653 504 A N 1.281 124.325 122.820 0.374 0.000 2.440 504 A HA 0.562 4.896 4.320 0.024 0.000 0.251 504 A C 0.744 178.548 177.584 0.367 0.000 1.089 504 A CA -0.414 51.842 52.037 0.365 0.000 0.779 504 A CB 0.390 19.642 19.000 0.422 0.000 1.022 504 A HN 0.412 nan 8.150 nan 0.000 0.492 505 R N 1.346 121.986 120.500 0.233 0.000 2.583 505 R HA 0.325 4.680 4.340 0.024 0.000 0.268 505 R C 0.994 177.249 176.300 -0.076 0.000 1.101 505 R CA -0.677 55.484 56.100 0.102 0.000 1.180 505 R CB 0.538 30.871 30.300 0.054 0.000 1.128 505 R HN 0.487 nan 8.270 nan 0.000 0.568 506 V N 0.518 120.231 119.914 -0.336 0.000 2.323 506 V HA -0.175 3.960 4.120 0.024 0.000 0.244 506 V C 0.932 176.911 176.094 -0.192 0.000 1.041 506 V CA 1.818 63.894 62.300 -0.374 0.000 1.025 506 V CB -0.270 31.208 31.823 -0.575 0.000 0.656 506 V HN 0.730 nan 8.190 nan 0.000 0.451 507 D N -1.445 118.872 120.400 -0.139 0.000 2.473 507 D HA 0.100 4.755 4.640 0.024 0.000 0.230 507 D C 0.932 177.212 176.300 -0.033 0.000 1.097 507 D CA 0.057 54.010 54.000 -0.078 0.000 0.861 507 D CB 0.700 41.457 40.800 -0.071 0.000 1.114 507 D HN 0.469 nan 8.370 nan 0.000 0.500 508 E N 1.871 122.054 120.200 -0.028 0.000 2.229 508 E HA 0.098 4.463 4.350 0.024 0.000 0.283 508 E C -0.795 175.802 176.600 -0.005 0.000 1.030 508 E CA -0.507 55.886 56.400 -0.012 0.000 0.836 508 E CB 0.910 30.603 29.700 -0.011 0.000 1.068 508 E HN -0.163 nan 8.360 nan 0.000 0.401 509 D N 3.566 123.966 120.400 0.000 0.000 2.283 509 D HA 0.154 4.808 4.640 0.024 0.000 0.248 509 D C -0.617 175.577 176.300 -0.177 0.000 1.072 509 D CA 0.060 54.057 54.000 -0.005 0.000 0.929 509 D CB 1.268 42.144 40.800 0.126 0.000 1.182 509 D HN 0.420 nan 8.370 nan 0.000 0.433 510 Q N 1.336 120.887 119.800 -0.415 0.000 2.891 510 Q HA 0.248 4.602 4.340 0.024 0.000 0.242 510 Q C -2.301 173.044 176.000 -1.091 0.000 0.959 510 Q CA -1.538 53.802 55.803 -0.772 0.000 0.707 510 Q CB 2.324 30.508 28.738 -0.923 0.000 1.283 510 Q HN 0.134 nan 8.270 nan 0.000 0.480 511 P HA -0.007 nan 4.420 nan 0.000 0.231 511 P C -0.736 176.264 177.300 -0.501 0.000 1.756 511 P CA 0.051 62.739 63.100 -0.687 0.000 0.990 511 P CB -0.609 30.916 31.700 -0.291 0.000 1.973 512 F N 2.217 121.984 119.950 -0.306 0.000 2.506 512 F HA 0.221 4.762 4.527 0.023 0.000 0.351 512 F C -1.227 174.468 175.800 -0.176 0.000 1.136 512 F CA -2.405 55.481 58.000 -0.191 0.000 1.298 512 F CB -0.514 38.391 39.000 -0.157 0.000 1.145 512 F HN 0.065 nan 8.300 nan 0.000 0.593 513 P HA 0.154 nan 4.420 nan 0.000 0.271 513 P C 0.259 177.572 177.300 0.022 0.000 1.216 513 P CA 0.799 63.914 63.100 0.024 0.000 0.776 513 P CB 1.183 32.896 31.700 0.021 0.000 0.881 514 A N 2.464 125.290 122.820 0.010 0.000 3.275 514 A HA -0.234 4.100 4.320 0.024 0.000 0.241 514 A C 0.715 178.309 177.584 0.016 0.000 0.607 514 A CA 1.970 54.019 52.037 0.020 0.000 1.181 514 A CB -2.674 16.338 19.000 0.019 0.000 1.304 514 A HN 0.726 nan 8.150 nan 0.000 0.682 515 V N -3.213 116.704 119.914 0.004 0.000 2.575 515 V HA 0.540 4.675 4.120 0.024 0.000 0.281 515 V C -2.379 173.699 176.094 -0.027 0.000 1.087 515 V CA -1.224 61.080 62.300 0.006 0.000 1.193 515 V CB 0.538 32.372 31.823 0.019 0.000 1.426 515 V HN 0.449 nan 8.190 nan 0.000 0.623 516 P HA 0.227 nan 4.420 nan 0.000 0.270 516 P C -0.548 176.317 177.300 -0.725 0.000 1.223 516 P CA 0.237 62.943 63.100 -0.656 0.000 0.785 516 P CB 0.924 31.733 31.700 -1.486 0.000 0.923 517 K N 2.041 122.038 120.400 -0.673 0.000 2.484 517 K HA 0.198 4.532 4.320 0.024 0.000 0.226 517 K C -0.479 175.798 176.600 -0.538 0.000 1.031 517 K CA -0.282 55.804 56.287 -0.335 0.000 1.026 517 K CB 0.296 32.879 32.500 0.138 0.000 1.412 517 K HN 0.465 nan 8.250 nan 0.000 0.492 518 W N 1.280 122.249 121.300 -0.552 0.000 2.126 518 W HA 0.049 4.723 4.660 0.024 0.000 0.346 518 W C 1.320 177.843 176.519 0.008 0.000 1.279 518 W CA -0.457 56.675 57.345 -0.356 0.000 1.259 518 W CB 0.409 29.487 29.460 -0.638 0.000 1.133 518 W HN 0.348 nan 8.180 nan 0.000 0.592 519 S N 3.234 119.086 115.700 0.253 0.000 2.558 519 S HA -0.088 4.396 4.470 0.024 0.000 0.293 519 S C 1.226 175.973 174.600 0.245 0.000 1.292 519 S CA -0.115 58.181 58.200 0.160 0.000 1.063 519 S CB 0.120 63.366 63.200 0.077 0.000 0.831 519 S HN 0.511 nan 8.310 nan 0.000 0.499 520 I N 2.379 123.058 120.570 0.183 0.000 2.286 520 I HA -0.157 4.028 4.170 0.024 0.000 0.248 520 I C 2.135 178.281 176.117 0.048 0.000 1.115 520 I CA 1.320 62.728 61.300 0.179 0.000 1.392 520 I CB -0.443 37.601 38.000 0.074 0.000 1.065 520 I HN 0.598 nan 8.210 nan 0.000 0.418 521 K N 1.525 121.850 120.400 -0.125 0.000 2.057 521 K HA -0.198 4.136 4.320 0.024 0.000 0.207 521 K C 2.310 178.910 176.600 0.000 0.000 1.049 521 K CA 2.021 58.145 56.287 -0.271 0.000 0.931 521 K CB -0.193 32.091 32.500 -0.359 0.000 0.714 521 K HN 0.372 nan 8.250 nan 0.000 0.440 522 K N -0.031 120.391 120.400 0.038 0.000 2.097 522 K HA -0.183 4.151 4.320 0.024 0.000 0.205 522 K C 1.947 178.586 176.600 0.065 0.000 1.050 522 K CA 1.025 57.327 56.287 0.025 0.000 0.938 522 K CB -0.126 32.360 32.500 -0.022 0.000 0.718 522 K HN 0.212 nan 8.250 nan 0.000 0.442 523 W N 1.963 123.260 121.300 -0.005 0.000 2.321 523 W HA -0.191 4.482 4.660 0.021 0.000 0.306 523 W C 1.506 178.019 176.519 -0.010 0.000 1.217 523 W CA 1.238 58.597 57.345 0.023 0.000 1.257 523 W CB -0.591 28.960 29.460 0.151 0.000 1.145 523 W HN 0.108 nan 8.180 nan 0.000 0.509 524 L N 0.786 122.172 121.223 0.271 0.000 2.191 524 L HA -0.219 4.135 4.340 0.024 0.000 0.212 524 L C 2.272 179.215 176.870 0.121 0.000 1.103 524 L CA 1.844 56.778 54.840 0.157 0.000 0.769 524 L CB -0.909 41.228 42.059 0.131 0.000 0.908 524 L HN -0.017 nan 8.230 nan 0.000 0.438 525 S N -1.444 114.314 115.700 0.096 0.000 2.557 525 S HA 0.244 4.728 4.470 0.024 0.000 0.223 525 S C 0.638 175.235 174.600 -0.006 0.000 0.969 525 S CA -0.544 57.681 58.200 0.043 0.000 0.927 525 S CB -0.366 62.856 63.200 0.037 0.000 0.806 525 S HN 0.147 nan 8.310 nan 0.000 0.489 526 L N 2.107 123.319 121.223 -0.019 0.000 2.554 526 L HA 0.157 4.511 4.340 0.024 0.000 0.293 526 L C -2.233 174.612 176.870 -0.042 0.000 1.252 526 L CA -1.366 53.415 54.840 -0.098 0.000 0.862 526 L CB -0.424 41.552 42.059 -0.138 0.000 1.113 526 L HN 0.035 nan 8.230 nan 0.000 0.510 527 P HA -0.014 nan 4.420 nan 0.000 0.260 527 P C 0.761 178.057 177.300 -0.006 0.000 1.185 527 P CA 1.048 64.129 63.100 -0.033 0.000 0.763 527 P CB 0.564 32.238 31.700 -0.042 0.000 0.776 528 G N 1.898 110.701 108.800 0.005 0.000 2.205 528 G HA2 -0.271 3.703 3.960 0.024 0.000 0.261 528 G HA3 -0.271 3.703 3.960 0.024 0.000 0.261 528 G C 0.266 175.185 174.900 0.032 0.000 0.980 528 G CA 0.064 45.175 45.100 0.018 0.000 0.632 528 G HN 0.607 nan 8.290 nan 0.000 0.533 529 E N 1.065 121.291 120.200 0.043 0.000 2.316 529 E HA 0.591 4.955 4.350 0.024 0.000 0.275 529 E C 1.380 178.008 176.600 0.046 0.000 1.029 529 E CA 0.692 57.130 56.400 0.064 0.000 0.871 529 E CB 0.802 30.571 29.700 0.114 0.000 1.022 529 E HN 0.546 nan 8.360 nan 0.000 0.418 530 T N 0.669 115.245 114.554 0.038 0.000 3.041 530 T HA 0.323 4.688 4.350 0.024 0.000 0.276 530 T C 0.640 175.350 174.700 0.017 0.000 0.948 530 T CA -0.434 61.681 62.100 0.027 0.000 0.885 530 T CB 0.110 68.993 68.868 0.025 0.000 1.175 530 T HN 0.242 nan 8.240 nan 0.000 0.529 531 R N 2.214 122.719 120.500 0.009 0.000 2.637 531 R HA 0.464 4.818 4.340 0.024 0.000 0.269 531 R C -2.556 173.723 176.300 -0.034 0.000 1.089 531 R CA -1.858 54.236 56.100 -0.010 0.000 1.177 531 R CB 0.077 30.364 30.300 -0.023 0.000 1.091 531 R HN 0.229 nan 8.270 nan 0.000 0.540 532 P HA 0.101 nan 4.420 nan 0.000 0.276 532 P C -1.065 176.165 177.300 -0.116 0.000 1.244 532 P CA -0.127 62.931 63.100 -0.069 0.000 0.801 532 P CB 0.662 32.322 31.700 -0.067 0.000 1.006 533 L N 2.691 123.825 121.223 -0.147 0.000 2.349 533 L HA 0.570 4.924 4.340 0.024 0.000 0.278 533 L C -1.018 175.708 176.870 -0.239 0.000 0.996 533 L CA -0.645 54.068 54.840 -0.212 0.000 0.825 533 L CB 0.523 42.448 42.059 -0.223 0.000 1.243 533 L HN 0.232 nan 8.230 nan 0.000 0.412 534 I N 5.759 126.196 120.570 -0.221 0.000 2.468 534 I HA 0.259 4.443 4.170 0.024 0.000 0.285 534 I C -0.711 175.318 176.117 -0.148 0.000 1.039 534 I CA -0.570 60.587 61.300 -0.237 0.000 1.074 534 I CB 1.966 39.888 38.000 -0.130 0.000 1.228 534 I HN 0.477 nan 8.210 nan 0.000 0.436 535 L N 5.396 126.500 121.223 -0.198 0.000 2.455 535 L HA 0.036 4.390 4.340 0.024 0.000 0.272 535 L C 1.466 178.420 176.870 0.140 0.000 1.174 535 L CA -0.093 54.705 54.840 -0.070 0.000 0.869 535 L CB 0.717 42.709 42.059 -0.111 0.000 1.130 535 L HN 0.863 nan 8.230 nan 0.000 0.474 536 C N -0.053 119.310 119.300 0.106 0.000 2.468 536 C HA 0.185 4.659 4.460 0.024 0.000 0.277 536 C C 0.623 175.769 174.990 0.261 0.000 1.400 536 C CA -0.263 58.866 59.018 0.185 0.000 1.770 536 C CB -1.031 26.727 27.740 0.031 0.000 1.905 536 C HN 0.817 nan 8.230 nan 0.000 0.519 537 E N -0.769 119.508 120.200 0.129 0.000 2.321 537 E HA 0.620 4.985 4.350 0.024 0.000 0.278 537 E C -1.370 175.177 176.600 -0.088 0.000 0.902 537 E CA -0.410 56.049 56.400 0.098 0.000 0.758 537 E CB 2.100 31.683 29.700 -0.194 0.000 1.213 537 E HN 0.657 nan 8.360 nan 0.000 0.426 538 Y N -1.040 119.237 120.300 -0.039 0.000 2.750 538 Y HA 0.620 5.186 4.550 0.025 0.000 0.335 538 Y C -0.788 175.274 175.900 0.270 0.000 1.252 538 Y CA -0.824 57.259 58.100 -0.028 0.000 1.064 538 Y CB 0.747 39.059 38.460 -0.247 0.000 1.321 538 Y HN 0.648 nan 8.280 nan 0.000 0.451 539 A N 1.837 124.712 122.820 0.092 0.000 2.303 539 A HA -0.263 4.071 4.320 0.024 0.000 0.286 539 A C -0.378 177.331 177.584 0.208 0.000 1.429 539 A CA 1.080 53.169 52.037 0.088 0.000 0.738 539 A CB -2.478 16.495 19.000 -0.045 0.000 1.149 539 A HN 1.132 nan 8.150 nan 0.000 0.364 540 H N 0.789 120.015 119.070 0.261 0.000 3.191 540 H HA 0.299 4.869 4.556 0.024 0.000 0.261 540 H C 0.985 176.374 175.328 0.100 0.000 1.013 540 H CA 0.822 57.043 56.048 0.288 0.000 1.457 540 H CB 0.422 30.253 29.762 0.116 0.000 1.535 540 H HN 0.805 nan 8.280 nan 0.000 0.518 541 A N 6.845 129.599 122.820 -0.109 0.000 3.105 541 A HA 0.096 4.430 4.320 0.024 0.000 0.272 541 A C 0.779 178.163 177.584 -0.333 0.000 1.466 541 A CA -0.468 51.439 52.037 -0.217 0.000 1.101 541 A CB -0.610 18.253 19.000 -0.229 0.000 1.065 541 A HN 0.806 nan 8.150 nan 0.000 0.643 542 M N 1.586 120.998 119.600 -0.313 0.000 2.143 542 M HA 0.451 4.946 4.480 0.024 0.000 0.348 542 M C 0.983 177.047 176.300 -0.393 0.000 1.375 542 M CA 1.275 56.374 55.300 -0.335 0.000 1.124 542 M CB -0.087 32.403 32.600 -0.182 0.000 1.669 542 M HN 0.866 nan 8.290 nan 0.000 0.469 543 G N 4.236 112.739 108.800 -0.496 0.000 2.547 543 G HA2 -0.340 3.635 3.960 0.024 0.000 0.271 543 G HA3 -0.340 3.635 3.960 0.024 0.000 0.271 543 G C -0.276 174.056 174.900 -0.948 0.000 1.209 543 G CA 0.043 44.732 45.100 -0.686 0.000 0.959 543 G HN 0.858 nan 8.290 nan 0.000 0.563 544 N N 1.148 119.160 118.700 -1.147 0.000 2.421 544 N HA 0.503 5.258 4.740 0.024 0.000 0.260 544 N C 0.018 175.222 175.510 -0.511 0.000 1.173 544 N CA 1.087 53.588 53.050 -0.914 0.000 0.960 544 N CB 0.525 38.484 38.487 -0.879 0.000 1.273 544 N HN 0.855 nan 8.380 nan 0.000 0.497 545 S N 2.230 117.710 115.700 -0.366 0.000 2.973 545 S HA 0.609 5.093 4.470 0.024 0.000 0.317 545 S C -0.199 174.305 174.600 -0.160 0.000 1.196 545 S CA -0.360 57.694 58.200 -0.243 0.000 0.894 545 S CB 0.105 63.170 63.200 -0.226 0.000 1.292 545 S HN 0.384 nan 8.310 nan 0.000 0.614 546 L N 0.102 121.275 121.223 -0.083 0.000 4.639 546 L HA -0.054 4.300 4.340 0.024 0.000 0.402 546 L C 0.518 177.427 176.870 0.064 0.000 1.069 546 L CA 0.904 55.736 54.840 -0.014 0.000 1.105 546 L CB -1.748 40.216 42.059 -0.158 0.000 2.122 546 L HN 0.739 nan 8.230 nan 0.000 0.662 547 G N -0.871 107.932 108.800 0.005 0.000 2.398 547 G HA2 0.474 4.449 3.960 0.024 0.000 0.246 547 G HA3 0.474 4.449 3.960 0.024 0.000 0.246 547 G C 1.235 176.186 174.900 0.084 0.000 1.289 547 G CA 0.172 45.259 45.100 -0.022 0.000 0.869 547 G HN 1.375 nan 8.290 nan 0.000 0.543 548 G N 1.584 110.434 108.800 0.082 0.000 2.175 548 G HA2 -0.315 3.659 3.960 0.024 0.000 0.244 548 G HA3 -0.315 3.659 3.960 0.024 0.000 0.244 548 G C 1.056 176.147 174.900 0.319 0.000 0.982 548 G CA 0.761 45.967 45.100 0.177 0.000 0.641 548 G HN 0.751 nan 8.290 nan 0.000 0.527 549 F N 1.991 122.063 119.950 0.203 0.000 2.091 549 F HA 0.039 4.581 4.527 0.025 0.000 0.299 549 F C 2.751 178.754 175.800 0.339 0.000 1.103 549 F CA 2.817 61.003 58.000 0.310 0.000 1.228 549 F CB -0.532 38.588 39.000 0.200 0.000 0.984 549 F HN 0.371 nan 8.300 nan 0.000 0.477 550 A N -0.548 122.435 122.820 0.271 0.000 2.070 550 A HA -0.237 4.098 4.320 0.024 0.000 0.220 550 A C 2.265 179.866 177.584 0.027 0.000 1.159 550 A CA 1.709 53.834 52.037 0.146 0.000 0.656 550 A CB -0.830 18.262 19.000 0.155 0.000 0.800 550 A HN 0.480 nan 8.150 nan 0.000 0.453 551 K N -1.526 118.883 120.400 0.015 0.000 2.097 551 K HA -0.177 4.157 4.320 0.024 0.000 0.206 551 K C 1.687 178.077 176.600 -0.350 0.000 1.049 551 K CA 1.643 57.858 56.287 -0.120 0.000 0.933 551 K CB -0.323 32.113 32.500 -0.107 0.000 0.717 551 K HN 0.571 nan 8.250 nan 0.000 0.442 552 Y N -0.862 119.164 120.300 -0.457 0.000 2.181 552 Y HA -0.233 4.330 4.550 0.023 0.000 0.288 552 Y C 1.968 176.896 175.900 -1.620 0.000 1.146 552 Y CA 1.489 58.969 58.100 -1.033 0.000 1.164 552 Y CB -0.230 37.609 38.460 -1.035 0.000 0.982 552 Y HN 0.179 nan 8.280 nan 0.000 0.515 553 W N 0.253 121.087 121.300 -0.776 0.000 2.363 553 W HA -0.201 4.475 4.660 0.026 0.000 0.296 553 W C 2.665 178.994 176.519 -0.317 0.000 1.212 553 W CA 1.810 58.829 57.345 -0.542 0.000 1.260 553 W CB -0.705 28.549 29.460 -0.344 0.000 1.131 553 W HN 0.109 nan 8.180 nan 0.000 0.530 554 Q N 0.315 120.022 119.800 -0.154 0.000 2.084 554 Q HA -0.197 4.158 4.340 0.024 0.000 0.202 554 Q C 2.259 178.190 176.000 -0.114 0.000 0.978 554 Q CA 2.011 57.765 55.803 -0.083 0.000 0.844 554 Q CB -0.364 28.343 28.738 -0.052 0.000 0.898 554 Q HN 0.217 nan 8.270 nan 0.000 0.426 555 A N 0.315 122.976 122.820 -0.265 0.000 1.898 555 A HA -0.123 4.211 4.320 0.024 0.000 0.216 555 A C 1.848 179.395 177.584 -0.062 0.000 1.181 555 A CA 1.113 53.023 52.037 -0.210 0.000 0.620 555 A CB -1.045 17.711 19.000 -0.407 0.000 0.819 555 A HN 0.550 nan 8.150 nan 0.000 0.442 556 F N -0.276 119.487 119.950 -0.312 0.000 2.161 556 F HA -0.228 4.313 4.527 0.025 0.000 0.300 556 F C 2.748 178.444 175.800 -0.173 0.000 1.089 556 F CA 1.134 58.921 58.000 -0.355 0.000 1.282 556 F CB -0.189 38.363 39.000 -0.746 0.000 1.010 556 F HN 0.173 nan 8.300 nan 0.000 0.485 557 R N 0.006 120.550 120.500 0.074 0.000 2.153 557 R HA -0.135 4.220 4.340 0.024 0.000 0.218 557 R C 2.064 178.399 176.300 0.059 0.000 1.072 557 R CA 0.903 57.039 56.100 0.060 0.000 0.990 557 R CB -0.376 29.955 30.300 0.052 0.000 0.889 557 R HN 0.386 nan 8.270 nan 0.000 0.452 558 Q N -0.225 119.637 119.800 0.104 0.000 2.269 558 Q HA -0.039 4.315 4.340 0.024 0.000 0.201 558 Q C -0.480 175.569 176.000 0.082 0.000 0.946 558 Q CA 0.833 56.698 55.803 0.102 0.000 0.877 558 Q CB 0.437 29.269 28.738 0.158 0.000 0.963 558 Q HN 0.183 nan 8.270 nan 0.000 0.472 559 Y N 0.052 120.333 120.300 -0.032 0.000 2.369 559 Y HA 0.277 4.841 4.550 0.023 0.000 0.337 559 Y C -1.798 174.075 175.900 -0.045 0.000 0.961 559 Y CA -2.816 55.265 58.100 -0.032 0.000 1.186 559 Y CB 1.522 39.968 38.460 -0.024 0.000 1.139 559 Y HN 0.098 nan 8.280 nan 0.000 0.494 560 P HA -0.201 nan 4.420 nan 0.000 0.216 560 P C 1.109 178.409 177.300 0.000 0.000 1.157 560 P CA 1.955 65.055 63.100 -0.001 0.000 0.880 560 P CB 0.306 31.991 31.700 -0.026 0.000 0.791 561 R N -1.323 119.197 120.500 0.033 0.000 2.307 561 R HA 0.091 4.446 4.340 0.024 0.000 0.199 561 R C 0.516 176.796 176.300 -0.034 0.000 1.000 561 R CA 0.123 56.225 56.100 0.004 0.000 1.023 561 R CB -0.448 29.864 30.300 0.021 0.000 0.908 561 R HN 0.247 nan 8.270 nan 0.000 0.473 562 L N 1.921 123.140 121.223 -0.006 0.000 2.312 562 L HA 0.121 4.475 4.340 0.024 0.000 0.287 562 L C 0.533 177.253 176.870 -0.251 0.000 1.091 562 L CA 0.205 54.983 54.840 -0.103 0.000 0.846 562 L CB 1.117 43.185 42.059 0.015 0.000 1.219 562 L HN 0.098 nan 8.230 nan 0.000 0.439 563 Q N 2.860 122.436 119.800 -0.373 0.000 2.189 563 Q HA 0.311 4.666 4.340 0.024 0.000 0.221 563 Q C 0.776 176.367 176.000 -0.682 0.000 0.848 563 Q CA 0.076 55.628 55.803 -0.418 0.000 1.007 563 Q CB 1.111 29.695 28.738 -0.256 0.000 1.116 563 Q HN 0.960 nan 8.270 nan 0.000 0.481 564 G N -0.314 107.691 108.800 -1.324 0.000 2.416 564 G HA2 0.084 4.059 3.960 0.024 0.000 0.203 564 G HA3 0.084 4.059 3.960 0.024 0.000 0.203 564 G C -0.288 173.762 174.900 -1.416 0.000 1.227 564 G CA -0.744 43.192 45.100 -1.941 0.000 1.041 564 G HN 0.560 nan 8.290 nan 0.000 0.546 565 G N -2.195 106.089 108.800 -0.859 0.000 2.441 565 G HA2 0.651 4.626 3.960 0.024 0.000 0.294 565 G HA3 0.651 4.626 3.960 0.024 0.000 0.294 565 G C -1.810 173.041 174.900 -0.081 0.000 1.393 565 G CA -0.342 44.489 45.100 -0.448 0.000 0.796 565 G HN 1.095 nan 8.290 nan 0.000 0.494 566 F N 0.865 121.069 119.950 0.424 0.000 2.375 566 F HA 0.501 5.041 4.527 0.023 0.000 0.361 566 F C 0.814 176.896 175.800 0.469 0.000 1.117 566 F CA -0.716 57.541 58.000 0.429 0.000 1.037 566 F CB 1.918 41.072 39.000 0.256 0.000 1.192 566 F HN 0.226 nan 8.300 nan 0.000 0.452 567 V N 3.331 123.531 119.914 0.477 0.000 2.872 567 V HA -0.149 3.986 4.120 0.024 0.000 0.307 567 V C -0.189 176.045 176.094 0.233 0.000 1.072 567 V CA -0.257 62.108 62.300 0.108 0.000 1.148 567 V CB 0.741 32.650 31.823 0.142 0.000 0.954 567 V HN 0.766 nan 8.190 nan 0.000 0.490 568 W N 6.546 127.922 121.300 0.128 0.000 2.278 568 W HA 0.468 5.142 4.660 0.023 0.000 0.317 568 W C -0.821 175.722 176.519 0.040 0.000 1.030 568 W CA -0.603 56.857 57.345 0.193 0.000 1.334 568 W CB 1.223 30.953 29.460 0.450 0.000 1.215 568 W HN 0.928 nan 8.180 nan 0.000 0.405 569 D N 2.841 122.962 120.400 -0.464 0.000 2.838 569 D HA 0.059 4.713 4.640 0.024 0.000 0.334 569 D C 0.602 176.703 176.300 -0.331 0.000 1.315 569 D CA -0.554 53.044 54.000 -0.670 0.000 0.917 569 D CB 0.132 39.923 40.800 -1.681 0.000 1.435 569 D HN 0.396 nan 8.370 nan 0.000 0.517 570 W N 0.542 121.562 121.300 -0.467 0.000 2.380 570 W HA 0.112 4.787 4.660 0.024 0.000 0.317 570 W C -0.083 176.283 176.519 -0.255 0.000 1.196 570 W CA 1.402 58.541 57.345 -0.343 0.000 1.307 570 W CB 0.288 29.558 29.460 -0.318 0.000 1.157 570 W HN 0.167 nan 8.180 nan 0.000 0.483 571 V N 2.577 122.316 119.914 -0.292 0.000 2.709 571 V HA 0.237 4.371 4.120 0.024 0.000 0.308 571 V C -1.010 174.944 176.094 -0.234 0.000 1.062 571 V CA -0.789 61.297 62.300 -0.358 0.000 0.901 571 V CB 1.539 33.252 31.823 -0.183 0.000 1.003 571 V HN -0.105 nan 8.190 nan 0.000 0.425 572 D N 4.172 124.445 120.400 -0.212 0.000 2.493 572 D HA 0.119 4.773 4.640 0.024 0.000 0.240 572 D C 0.368 176.529 176.300 -0.231 0.000 1.142 572 D CA 0.633 54.535 54.000 -0.163 0.000 0.872 572 D CB 0.918 41.691 40.800 -0.045 0.000 1.173 572 D HN 0.622 nan 8.370 nan 0.000 0.467 573 Q N 1.196 120.775 119.800 -0.368 0.000 3.170 573 Q HA 0.127 4.481 4.340 0.024 0.000 0.346 573 Q C -0.011 175.898 176.000 -0.151 0.000 1.333 573 Q CA -0.323 54.994 55.803 -0.809 0.000 0.958 573 Q CB -0.058 28.323 28.738 -0.595 0.000 1.600 573 Q HN 0.358 nan 8.270 nan 0.000 0.482 574 S N -0.175 115.568 115.700 0.073 0.000 2.632 574 S HA 0.620 5.105 4.470 0.024 0.000 0.271 574 S C -0.082 174.691 174.600 0.287 0.000 1.260 574 S CA -0.756 57.614 58.200 0.283 0.000 1.010 574 S CB 1.418 64.772 63.200 0.256 0.000 0.965 574 S HN 0.332 nan 8.310 nan 0.000 0.534 575 L N 1.403 122.726 121.223 0.166 0.000 2.354 575 L HA 0.510 4.865 4.340 0.024 0.000 0.269 575 L C -0.638 176.141 176.870 -0.152 0.000 1.005 575 L CA -1.271 53.538 54.840 -0.053 0.000 0.819 575 L CB 1.489 43.387 42.059 -0.267 0.000 1.311 575 L HN 0.537 nan 8.230 nan 0.000 0.423 576 I N 2.335 122.749 120.570 -0.260 0.000 2.441 576 I HA 0.244 4.428 4.170 0.024 0.000 0.287 576 I C 0.207 175.887 176.117 -0.728 0.000 1.049 576 I CA -0.002 61.005 61.300 -0.488 0.000 1.381 576 I CB 0.760 38.477 38.000 -0.471 0.000 1.409 576 I HN 0.540 nan 8.210 nan 0.000 0.523 577 K N 5.327 125.008 120.400 -1.199 0.000 2.350 577 K HA 0.595 4.930 4.320 0.024 0.000 0.241 577 K C -1.544 174.204 176.600 -1.420 0.000 0.994 577 K CA -0.692 54.786 56.287 -1.349 0.000 0.839 577 K CB 2.280 33.736 32.500 -1.740 0.000 1.244 577 K HN 0.240 nan 8.250 nan 0.000 0.443 578 Y N 0.542 120.557 120.300 -0.474 0.000 2.446 578 Y HA 0.151 4.716 4.550 0.024 0.000 0.345 578 Y C 0.122 176.080 175.900 0.095 0.000 0.984 578 Y CA -1.076 56.929 58.100 -0.157 0.000 1.058 578 Y CB 1.364 39.769 38.460 -0.091 0.000 1.220 578 Y HN 0.696 nan 8.280 nan 0.000 0.455 579 D N -0.261 120.361 120.400 0.371 0.000 2.440 579 D HA 0.027 4.681 4.640 0.024 0.000 0.269 579 D C 0.911 177.319 176.300 0.180 0.000 1.249 579 D CA -0.401 53.779 54.000 0.300 0.000 1.055 579 D CB 0.317 41.248 40.800 0.218 0.000 1.104 579 D HN 0.756 nan 8.370 nan 0.000 0.561 580 E N -1.011 119.259 120.200 0.117 0.000 2.333 580 E HA -0.192 4.172 4.350 0.024 0.000 0.198 580 E C 0.483 177.117 176.600 0.058 0.000 1.007 580 E CA 0.710 57.153 56.400 0.072 0.000 0.845 580 E CB -0.385 29.342 29.700 0.046 0.000 0.766 580 E HN 0.260 nan 8.360 nan 0.000 0.507 581 N N 0.322 119.065 118.700 0.072 0.000 2.270 581 N HA 0.076 4.831 4.740 0.024 0.000 0.198 581 N C 0.767 176.313 175.510 0.060 0.000 1.117 581 N CA 0.786 53.869 53.050 0.055 0.000 0.845 581 N CB 1.219 39.739 38.487 0.054 0.000 0.980 581 N HN 0.433 nan 8.380 nan 0.000 0.486 582 G N 0.897 109.749 108.800 0.086 0.000 2.162 582 G HA2 -0.257 3.717 3.960 0.024 0.000 0.260 582 G HA3 -0.257 3.717 3.960 0.024 0.000 0.260 582 G C -0.092 174.927 174.900 0.199 0.000 0.976 582 G CA -0.298 44.846 45.100 0.074 0.000 0.655 582 G HN 0.270 nan 8.290 nan 0.000 0.533 583 N N 1.886 120.711 118.700 0.207 0.000 2.488 583 N HA 0.437 5.191 4.740 0.024 0.000 0.274 583 N C -2.346 173.314 175.510 0.250 0.000 1.111 583 N CA -0.992 52.182 53.050 0.208 0.000 0.974 583 N CB 1.682 40.262 38.487 0.156 0.000 1.089 583 N HN 0.227 nan 8.380 nan 0.000 0.465 584 P HA 0.346 nan 4.420 nan 0.000 0.281 584 P C -0.579 176.687 177.300 -0.056 0.000 1.249 584 P CA -0.440 62.571 63.100 -0.148 0.000 0.810 584 P CB 0.890 32.495 31.700 -0.158 0.000 1.008 585 W N -0.769 120.310 121.300 -0.368 0.000 3.167 585 W HA 0.453 5.128 4.660 0.024 0.000 0.324 585 W C -1.459 174.889 176.519 -0.284 0.000 1.230 585 W CA -1.066 56.059 57.345 -0.365 0.000 1.184 585 W CB 0.425 29.398 29.460 -0.812 0.000 1.414 585 W HN 0.115 nan 8.180 nan 0.000 0.551 586 S N 1.476 117.280 115.700 0.173 0.000 2.489 586 S HA 0.621 5.106 4.470 0.024 0.000 0.277 586 S C 0.126 174.933 174.600 0.345 0.000 1.230 586 S CA -0.292 57.998 58.200 0.151 0.000 1.053 586 S CB 1.062 64.399 63.200 0.229 0.000 0.955 586 S HN 0.612 nan 8.310 nan 0.000 0.488 587 A N 2.739 125.630 122.820 0.117 0.000 2.330 587 A HA 0.903 5.238 4.320 0.024 0.000 0.329 587 A C -0.803 177.062 177.584 0.468 0.000 1.135 587 A CA -0.738 51.428 52.037 0.214 0.000 0.817 587 A CB 0.749 19.574 19.000 -0.291 0.000 1.269 587 A HN 0.843 nan 8.150 nan 0.000 0.469 588 Y N -0.947 119.691 120.300 0.563 0.000 2.944 588 Y HA 0.769 5.333 4.550 0.024 0.000 0.312 588 Y C 0.605 176.881 175.900 0.625 0.000 1.417 588 Y CA -1.494 56.932 58.100 0.543 0.000 1.105 588 Y CB -0.069 38.538 38.460 0.245 0.000 1.364 588 Y HN 0.963 nan 8.280 nan 0.000 0.540 589 G N -0.078 109.125 108.800 0.671 0.000 2.287 589 G HA2 0.370 4.345 3.960 0.024 0.000 0.235 589 G HA3 0.370 4.345 3.960 0.024 0.000 0.235 589 G C 0.958 176.174 174.900 0.527 0.000 1.258 589 G CA 0.505 45.918 45.100 0.522 0.000 0.884 589 G HN 2.007 nan 8.290 nan 0.000 0.518 590 G N 2.159 111.236 108.800 0.463 0.000 2.268 590 G HA2 -0.285 3.689 3.960 0.024 0.000 0.240 590 G HA3 -0.285 3.689 3.960 0.024 0.000 0.240 590 G C 0.944 176.032 174.900 0.313 0.000 1.010 590 G CA 0.698 46.007 45.100 0.350 0.000 0.618 590 G HN 0.643 nan 8.290 nan 0.000 0.516 591 D N -0.166 120.434 120.400 0.333 0.000 2.371 591 D HA 0.140 4.794 4.640 0.024 0.000 0.221 591 D C 1.324 177.509 176.300 -0.192 0.000 0.986 591 D CA 0.486 54.528 54.000 0.070 0.000 0.899 591 D CB -0.193 40.607 40.800 -0.000 0.000 0.902 591 D HN 0.487 nan 8.370 nan 0.000 0.530 592 F N -0.848 119.230 119.950 0.214 0.000 2.654 592 F HA 0.295 4.837 4.527 0.024 0.000 0.303 592 F C 1.760 177.643 175.800 0.139 0.000 1.099 592 F CA -0.143 57.938 58.000 0.135 0.000 1.270 592 F CB 0.924 40.010 39.000 0.143 0.000 1.024 592 F HN -0.030 nan 8.300 nan 0.000 0.548 593 G N 0.297 109.252 108.800 0.259 0.000 2.176 593 G HA2 -0.270 3.704 3.960 0.024 0.000 0.253 593 G HA3 -0.270 3.704 3.960 0.024 0.000 0.253 593 G C -0.239 174.795 174.900 0.223 0.000 0.979 593 G CA 0.104 45.324 45.100 0.200 0.000 0.641 593 G HN 0.383 nan 8.290 nan 0.000 0.530 594 D N 0.592 121.174 120.400 0.304 0.000 2.425 594 D HA 0.508 5.162 4.640 0.024 0.000 0.247 594 D C 0.151 176.566 176.300 0.191 0.000 1.147 594 D CA 0.936 55.097 54.000 0.269 0.000 0.879 594 D CB 1.606 42.621 40.800 0.358 0.000 1.179 594 D HN 0.374 nan 8.370 nan 0.000 0.456 595 T N 0.920 115.556 114.554 0.138 0.000 2.942 595 T HA 0.441 4.806 4.350 0.024 0.000 0.327 595 T C -2.725 172.009 174.700 0.057 0.000 1.360 595 T CA -1.158 60.996 62.100 0.090 0.000 1.055 595 T CB 1.059 69.981 68.868 0.090 0.000 1.261 595 T HN 0.198 nan 8.240 nan 0.000 0.485 596 P HA 0.477 nan 4.420 nan 0.000 0.271 596 P C -0.951 176.338 177.300 -0.018 0.000 1.244 596 P CA -0.270 62.829 63.100 -0.002 0.000 0.793 596 P CB 0.301 31.975 31.700 -0.044 0.000 0.984 597 N N -1.891 116.792 118.700 -0.028 0.000 2.825 597 N HA 0.278 5.033 4.740 0.024 0.000 0.253 597 N C -1.140 174.306 175.510 -0.106 0.000 1.426 597 N CA -0.733 52.273 53.050 -0.073 0.000 0.851 597 N CB 0.676 39.205 38.487 0.070 0.000 1.470 597 N HN 0.048 nan 8.380 nan 0.000 0.517 598 D N -0.364 119.903 120.400 -0.220 0.000 2.525 598 D HA 0.141 4.795 4.640 0.024 0.000 0.229 598 D C 0.465 176.940 176.300 0.292 0.000 1.202 598 D CA -0.128 53.820 54.000 -0.086 0.000 0.828 598 D CB 0.040 40.631 40.800 -0.349 0.000 1.008 598 D HN 0.711 nan 8.370 nan 0.000 0.493 599 R N 0.751 121.431 120.500 0.299 0.000 3.657 599 R HA -0.324 4.030 4.340 0.024 0.000 0.533 599 R C 1.154 177.526 176.300 0.119 0.000 0.241 599 R CA 1.510 57.803 56.100 0.321 0.000 1.659 599 R CB -1.634 28.772 30.300 0.176 0.000 0.920 599 R HN 0.141 nan 8.270 nan 0.000 0.599 600 Q N 1.449 120.975 119.800 -0.457 0.000 2.515 600 Q HA -0.029 4.325 4.340 0.024 0.000 0.212 600 Q C 1.699 177.442 176.000 -0.429 0.000 0.970 600 Q CA 1.499 56.848 55.803 -0.757 0.000 0.941 600 Q CB -0.072 27.988 28.738 -1.130 0.000 0.998 600 Q HN 0.618 nan 8.270 nan 0.000 0.518 601 F N 1.585 121.473 119.950 -0.103 0.000 2.583 601 F HA -0.139 4.402 4.527 0.024 0.000 0.297 601 F C 2.151 177.896 175.800 -0.093 0.000 1.131 601 F CA 1.043 59.053 58.000 0.016 0.000 1.467 601 F CB -0.074 39.007 39.000 0.134 0.000 1.097 601 F HN 0.398 nan 8.300 nan 0.000 0.586 602 C N -1.551 117.478 119.300 -0.452 0.000 2.562 602 C HA 0.232 4.707 4.460 0.024 0.000 0.266 602 C C 1.010 175.794 174.990 -0.344 0.000 1.382 602 C CA -0.502 58.050 59.018 -0.777 0.000 1.742 602 C CB -1.501 25.306 27.740 -1.555 0.000 1.812 602 C HN 0.186 nan 8.230 nan 0.000 0.559 603 M N 2.767 122.221 119.600 -0.244 0.000 2.060 603 M HA 0.273 4.767 4.480 0.024 0.000 0.342 603 M C -0.506 175.669 176.300 -0.209 0.000 1.031 603 M CA 0.344 55.532 55.300 -0.186 0.000 0.981 603 M CB 0.086 32.606 32.600 -0.134 0.000 1.376 603 M HN 0.392 nan 8.290 nan 0.000 0.397 604 N N 0.961 119.541 118.700 -0.200 0.000 2.307 604 N HA 0.201 4.956 4.740 0.024 0.000 0.248 604 N C 0.297 175.618 175.510 -0.315 0.000 1.322 604 N CA -0.544 52.340 53.050 -0.278 0.000 0.861 604 N CB 1.202 39.585 38.487 -0.174 0.000 1.303 604 N HN 0.636 nan 8.380 nan 0.000 0.498 605 G N 0.016 108.641 108.800 -0.292 0.000 2.504 605 G HA2 0.329 4.304 3.960 0.024 0.000 0.288 605 G HA3 0.329 4.304 3.960 0.024 0.000 0.288 605 G C 0.772 175.500 174.900 -0.287 0.000 1.182 605 G CA -0.556 44.350 45.100 -0.322 0.000 0.894 605 G HN 0.118 nan 8.290 nan 0.000 0.521 606 L N -0.053 120.954 121.223 -0.360 0.000 2.291 606 L HA 0.088 4.442 4.340 0.024 0.000 0.214 606 L C 0.981 177.622 176.870 -0.381 0.000 1.120 606 L CA 0.459 55.108 54.840 -0.319 0.000 0.799 606 L CB -0.403 41.456 42.059 -0.334 0.000 0.925 606 L HN 0.388 nan 8.230 nan 0.000 0.446 607 V N -4.684 114.853 119.914 -0.628 0.000 2.823 607 V HA 0.465 4.599 4.120 0.024 0.000 0.312 607 V C -0.235 175.496 176.094 -0.605 0.000 1.072 607 V CA -1.218 60.679 62.300 -0.672 0.000 0.937 607 V CB 1.637 32.989 31.823 -0.784 0.000 1.013 607 V HN -0.139 nan 8.190 nan 0.000 0.430 608 F N 2.104 121.705 119.950 -0.582 0.000 2.485 608 F HA 0.542 5.083 4.527 0.024 0.000 0.327 608 F C 1.949 177.600 175.800 -0.248 0.000 1.203 608 F CA 0.697 58.453 58.000 -0.406 0.000 1.295 608 F CB 0.933 39.700 39.000 -0.388 0.000 1.191 608 F HN 0.791 nan 8.300 nan 0.000 0.588 609 A N 0.783 123.647 122.820 0.074 0.000 2.032 609 A HA -0.225 4.110 4.320 0.024 0.000 0.221 609 A C 1.604 179.157 177.584 -0.053 0.000 1.165 609 A CA 1.915 53.969 52.037 0.028 0.000 0.645 609 A CB -0.941 18.115 19.000 0.093 0.000 0.807 609 A HN 0.784 nan 8.150 nan 0.000 0.453 610 D N -2.955 117.418 120.400 -0.044 0.000 2.319 610 D HA 0.155 4.809 4.640 0.024 0.000 0.230 610 D C 0.625 176.895 176.300 -0.050 0.000 1.094 610 D CA -0.043 53.909 54.000 -0.080 0.000 0.856 610 D CB -0.074 40.676 40.800 -0.084 0.000 0.915 610 D HN 0.203 nan 8.370 nan 0.000 0.517 611 R N -1.864 118.605 120.500 -0.051 0.000 3.728 611 R HA -0.121 4.234 4.340 0.024 0.000 0.478 611 R C -0.238 176.032 176.300 -0.049 0.000 0.932 611 R CA 1.099 57.169 56.100 -0.050 0.000 1.317 611 R CB -3.199 27.123 30.300 0.037 0.000 1.987 611 R HN 0.249 nan 8.270 nan 0.000 0.509 612 T N 2.571 117.108 114.554 -0.027 0.000 2.901 612 T HA 0.368 4.732 4.350 0.024 0.000 0.301 612 T C -2.291 172.412 174.700 0.004 0.000 1.012 612 T CA -0.762 61.332 62.100 -0.010 0.000 1.135 612 T CB 1.086 69.922 68.868 -0.054 0.000 0.936 612 T HN -0.091 nan 8.240 nan 0.000 0.539 613 P HA 0.306 nan 4.420 nan 0.000 0.277 613 P C -0.466 176.764 177.300 -0.116 0.000 1.240 613 P CA -0.411 62.619 63.100 -0.118 0.000 0.798 613 P CB 0.505 32.177 31.700 -0.048 0.000 0.979 614 H N 1.814 120.749 119.070 -0.224 0.000 2.495 614 H HA 0.192 4.763 4.556 0.024 0.000 0.350 614 H C -1.280 173.966 175.328 -0.137 0.000 1.202 614 H CA -1.387 54.501 56.048 -0.267 0.000 1.322 614 H CB 0.095 29.631 29.762 -0.377 0.000 1.544 614 H HN 0.339 nan 8.280 nan 0.000 0.565 615 P HA -0.192 nan 4.420 nan 0.000 0.218 615 P C 0.957 178.262 177.300 0.008 0.000 1.148 615 P CA 1.712 64.820 63.100 0.013 0.000 0.822 615 P CB 0.061 31.779 31.700 0.030 0.000 0.784 616 A N -0.676 122.138 122.820 -0.009 0.000 2.019 616 A HA -0.187 4.148 4.320 0.024 0.000 0.219 616 A C 2.064 179.594 177.584 -0.091 0.000 1.164 616 A CA 1.191 53.179 52.037 -0.081 0.000 0.644 616 A CB -1.589 17.320 19.000 -0.151 0.000 0.805 616 A HN 0.151 nan 8.150 nan 0.000 0.449 617 L N -0.453 120.744 121.223 -0.042 0.000 2.043 617 L HA -0.167 4.188 4.340 0.024 0.000 0.212 617 L C 2.575 179.488 176.870 0.072 0.000 1.075 617 L CA 2.792 57.644 54.840 0.021 0.000 0.752 617 L CB -1.019 41.054 42.059 0.025 0.000 0.891 617 L HN 0.396 nan 8.230 nan 0.000 0.432 618 T N -1.782 112.820 114.554 0.079 0.000 2.867 618 T HA -0.203 4.161 4.350 0.024 0.000 0.268 618 T C 1.809 176.612 174.700 0.173 0.000 1.057 618 T CA 1.422 63.622 62.100 0.168 0.000 1.136 618 T CB -0.152 68.795 68.868 0.130 0.000 0.874 618 T HN 0.476 nan 8.240 nan 0.000 0.466 619 E N 0.837 121.075 120.200 0.064 0.000 2.077 619 E HA 0.013 4.377 4.350 0.024 0.000 0.193 619 E C 2.198 178.789 176.600 -0.015 0.000 0.989 619 E CA 1.461 57.894 56.400 0.056 0.000 0.800 619 E CB -0.655 29.042 29.700 -0.004 0.000 0.746 619 E HN 0.546 nan 8.360 nan 0.000 0.452 620 A N 1.011 123.704 122.820 -0.211 0.000 1.877 620 A HA -0.239 4.095 4.320 0.024 0.000 0.216 620 A C 2.174 179.634 177.584 -0.207 0.000 1.186 620 A CA 1.985 53.840 52.037 -0.304 0.000 0.620 620 A CB -0.668 18.149 19.000 -0.304 0.000 0.822 620 A HN 0.280 nan 8.150 nan 0.000 0.443 621 K N -1.271 119.094 120.400 -0.059 0.000 2.063 621 K HA -0.289 4.045 4.320 0.024 0.000 0.208 621 K C 2.045 178.547 176.600 -0.162 0.000 1.048 621 K CA 2.036 58.307 56.287 -0.026 0.000 0.928 621 K CB -0.335 32.311 32.500 0.243 0.000 0.713 621 K HN 0.648 nan 8.250 nan 0.000 0.442 622 H N 0.295 119.194 119.070 -0.285 0.000 2.333 622 H HA 0.007 4.578 4.556 0.025 0.000 0.302 622 H C 1.967 177.023 175.328 -0.454 0.000 1.075 622 H CA 1.654 57.335 56.048 -0.610 0.000 1.348 622 H CB 0.103 29.546 29.762 -0.530 0.000 1.393 622 H HN 0.218 nan 8.280 nan 0.000 0.509 623 Q N 0.325 119.878 119.800 -0.411 0.000 2.224 623 Q HA -0.091 4.263 4.340 0.024 0.000 0.203 623 Q C 1.635 177.113 176.000 -0.870 0.000 0.970 623 Q CA 1.182 56.669 55.803 -0.528 0.000 0.865 623 Q CB 0.002 28.608 28.738 -0.221 0.000 0.922 623 Q HN 0.710 nan 8.270 nan 0.000 0.445 624 Q N 0.265 119.491 119.800 -0.957 0.000 2.322 624 Q HA 0.052 4.406 4.340 0.024 0.000 0.203 624 Q C -0.056 175.387 176.000 -0.927 0.000 0.923 624 Q CA -0.202 54.888 55.803 -1.188 0.000 0.949 624 Q CB 0.202 28.287 28.738 -1.088 0.000 1.039 624 Q HN 0.382 nan 8.270 nan 0.000 0.496 625 Q N -0.391 119.015 119.800 -0.657 0.000 2.414 625 Q HA -0.080 4.274 4.340 0.024 0.000 0.288 625 Q C -0.155 175.503 176.000 -0.570 0.000 1.086 625 Q CA 0.485 56.038 55.803 -0.417 0.000 0.943 625 Q CB 0.413 28.991 28.738 -0.266 0.000 1.282 625 Q HN 0.305 nan 8.270 nan 0.000 0.438 626 F N 0.484 120.233 119.950 -0.336 0.000 2.695 626 F HA 0.242 4.783 4.527 0.023 0.000 0.303 626 F C -0.247 175.020 175.800 -0.889 0.000 1.091 626 F CA -0.030 57.542 58.000 -0.712 0.000 1.300 626 F CB 0.561 38.831 39.000 -1.217 0.000 1.071 626 F HN 0.297 nan 8.300 nan 0.000 0.578 627 F N 0.231 120.120 119.950 -0.102 0.000 2.540 627 F HA 0.500 5.042 4.527 0.025 0.000 0.317 627 F C -0.162 175.322 175.800 -0.526 0.000 1.104 627 F CA -1.095 56.744 58.000 -0.268 0.000 0.913 627 F CB 1.395 40.256 39.000 -0.233 0.000 1.170 627 F HN -0.328 nan 8.300 nan 0.000 0.450 628 Q N 2.752 122.296 119.800 -0.428 0.000 2.301 628 Q HA 0.615 4.970 4.340 0.024 0.000 0.267 628 Q C -1.385 174.278 176.000 -0.562 0.000 1.035 628 Q CA -0.673 54.901 55.803 -0.381 0.000 0.856 628 Q CB 2.898 31.549 28.738 -0.145 0.000 1.337 628 Q HN 0.548 nan 8.270 nan 0.000 0.450 629 F N -0.057 120.017 119.950 0.205 0.000 2.588 629 F HA 0.605 5.147 4.527 0.025 0.000 0.314 629 F C 0.200 176.224 175.800 0.373 0.000 1.069 629 F CA -0.879 57.309 58.000 0.314 0.000 0.931 629 F CB 2.032 41.336 39.000 0.507 0.000 1.260 629 F HN 0.160 nan 8.300 nan 0.000 0.465 630 R N 1.368 122.175 120.500 0.512 0.000 2.725 630 R HA 0.730 5.085 4.340 0.024 0.000 0.277 630 R C -2.043 174.339 176.300 0.137 0.000 0.987 630 R CA -1.230 55.095 56.100 0.375 0.000 0.901 630 R CB 2.893 33.312 30.300 0.197 0.000 1.207 630 R HN 0.514 nan 8.270 nan 0.000 0.463 631 L N 0.804 121.979 121.223 -0.080 0.000 2.349 631 L HA 0.510 4.865 4.340 0.024 0.000 0.278 631 L C -1.025 175.694 176.870 -0.251 0.000 0.996 631 L CA 0.029 54.579 54.840 -0.482 0.000 0.825 631 L CB 2.043 43.338 42.059 -1.273 0.000 1.243 631 L HN 0.566 nan 8.230 nan 0.000 0.412 632 S N 4.001 119.580 115.700 -0.201 0.000 2.745 632 S HA 0.716 5.200 4.470 0.024 0.000 0.283 632 S C 0.333 174.849 174.600 -0.139 0.000 1.170 632 S CA 0.298 58.421 58.200 -0.129 0.000 1.119 632 S CB 0.130 63.288 63.200 -0.070 0.000 1.035 632 S HN 1.581 nan 8.310 nan 0.000 0.483 633 G N 4.633 113.348 108.800 -0.141 0.000 2.543 633 G HA2 -0.294 3.680 3.960 0.024 0.000 0.286 633 G HA3 -0.294 3.680 3.960 0.024 0.000 0.286 633 G C 0.330 175.125 174.900 -0.173 0.000 1.153 633 G CA 0.662 45.683 45.100 -0.132 0.000 0.968 633 G HN 0.630 nan 8.290 nan 0.000 0.544 634 Q N 1.230 120.932 119.800 -0.163 0.000 2.282 634 Q HA 0.350 4.704 4.340 0.024 0.000 0.206 634 Q C 0.722 176.592 176.000 -0.216 0.000 0.878 634 Q CA 0.932 56.615 55.803 -0.199 0.000 0.944 634 Q CB 0.594 29.233 28.738 -0.165 0.000 1.100 634 Q HN 0.588 nan 8.270 nan 0.000 0.509 635 T N 0.362 114.806 114.554 -0.184 0.000 2.767 635 T HA 0.537 4.902 4.350 0.024 0.000 0.288 635 T C -0.022 174.574 174.700 -0.173 0.000 0.963 635 T CA -0.352 61.656 62.100 -0.152 0.000 1.019 635 T CB 1.027 69.836 68.868 -0.099 0.000 0.923 635 T HN 0.022 nan 8.240 nan 0.000 0.468 636 I N 2.632 123.122 120.570 -0.133 0.000 2.354 636 I HA 0.294 4.478 4.170 0.024 0.000 0.292 636 I C 0.475 176.615 176.117 0.039 0.000 0.989 636 I CA -0.593 60.660 61.300 -0.078 0.000 1.188 636 I CB 1.457 39.439 38.000 -0.030 0.000 1.342 636 I HN 0.587 nan 8.210 nan 0.000 0.457 637 E N 6.560 126.815 120.200 0.091 0.000 2.109 637 E HA 0.412 4.777 4.350 0.024 0.000 0.278 637 E C -1.534 175.172 176.600 0.176 0.000 0.954 637 E CA -0.555 55.910 56.400 0.109 0.000 0.779 637 E CB 1.509 31.256 29.700 0.079 0.000 1.093 637 E HN 0.328 nan 8.360 nan 0.000 0.401 638 V N 4.460 124.458 119.914 0.140 0.000 2.370 638 V HA 0.287 4.421 4.120 0.024 0.000 0.283 638 V C -0.067 176.053 176.094 0.044 0.000 1.023 638 V CA -0.536 61.809 62.300 0.076 0.000 0.857 638 V CB 1.757 33.660 31.823 0.133 0.000 0.985 638 V HN 0.706 nan 8.190 nan 0.000 0.443 639 T N 3.400 117.937 114.554 -0.027 0.000 2.823 639 T HA 0.366 4.731 4.350 0.024 0.000 0.279 639 T C -0.002 174.706 174.700 0.013 0.000 0.998 639 T CA -0.266 61.836 62.100 0.002 0.000 0.994 639 T CB 1.575 70.424 68.868 -0.031 0.000 0.960 639 T HN 0.663 nan 8.240 nan 0.000 0.448 640 S N 1.567 117.285 115.700 0.029 0.000 2.525 640 S HA 0.238 4.723 4.470 0.024 0.000 0.278 640 S C 0.673 175.164 174.600 -0.181 0.000 1.234 640 S CA -0.597 57.561 58.200 -0.070 0.000 1.058 640 S CB 0.645 63.877 63.200 0.054 0.000 0.983 640 S HN 0.723 nan 8.310 nan 0.000 0.495 641 E N 2.753 122.748 120.200 -0.342 0.000 2.476 641 E HA 0.109 4.474 4.350 0.024 0.000 0.196 641 E C -0.793 175.622 176.600 -0.310 0.000 1.029 641 E CA -0.111 56.111 56.400 -0.297 0.000 0.896 641 E CB 0.330 29.837 29.700 -0.322 0.000 1.012 641 E HN 0.676 nan 8.360 nan 0.000 0.475 642 Y N 0.250 120.435 120.300 -0.191 0.000 2.326 642 Y HA 0.046 4.610 4.550 0.024 0.000 0.333 642 Y C 1.417 177.152 175.900 -0.276 0.000 1.240 642 Y CA 0.114 58.097 58.100 -0.195 0.000 1.365 642 Y CB 0.821 39.153 38.460 -0.214 0.000 1.289 642 Y HN -0.053 nan 8.280 nan 0.000 0.548 643 L N 0.656 121.705 121.223 -0.290 0.000 2.515 643 L HA 0.107 4.462 4.340 0.024 0.000 0.223 643 L C 0.639 177.083 176.870 -0.710 0.000 1.079 643 L CA 0.487 54.920 54.840 -0.678 0.000 0.857 643 L CB 0.087 41.358 42.059 -1.312 0.000 1.050 643 L HN 0.639 nan 8.230 nan 0.000 0.476 644 F N -0.189 119.786 119.950 0.041 0.000 2.619 644 F HA 0.213 4.753 4.527 0.022 0.000 0.281 644 F C 1.299 177.097 175.800 -0.002 0.000 1.065 644 F CA -0.775 57.226 58.000 0.001 0.000 1.304 644 F CB 0.338 39.320 39.000 -0.029 0.000 1.059 644 F HN -0.134 nan 8.300 nan 0.000 0.648 645 R N 0.114 120.675 120.500 0.102 0.000 2.643 645 R HA 0.393 4.747 4.340 0.024 0.000 0.272 645 R C -0.579 175.712 176.300 -0.014 0.000 0.995 645 R CA -0.646 55.466 56.100 0.020 0.000 1.032 645 R CB 0.750 30.958 30.300 -0.153 0.000 1.126 645 R HN 0.074 nan 8.270 nan 0.000 0.505 646 H N 0.408 119.471 119.070 -0.011 0.000 2.547 646 H HA 0.075 4.646 4.556 0.024 0.000 0.362 646 H C 0.060 175.402 175.328 0.024 0.000 1.181 646 H CA 0.185 56.253 56.048 0.033 0.000 1.376 646 H CB 1.608 31.392 29.762 0.037 0.000 1.488 646 H HN 0.757 nan 8.280 nan 0.000 0.583 647 S N 1.144 116.960 115.700 0.194 0.000 4.139 647 S HA -0.042 4.442 4.470 0.024 0.000 0.215 647 S C 0.384 175.075 174.600 0.152 0.000 1.390 647 S CA -0.716 57.610 58.200 0.210 0.000 0.885 647 S CB -0.652 62.719 63.200 0.286 0.000 1.560 647 S HN 0.569 nan 8.310 nan 0.000 0.449 648 D N 0.721 121.187 120.400 0.110 0.000 2.319 648 D HA 0.009 4.663 4.640 0.024 0.000 0.230 648 D C 0.315 176.647 176.300 0.054 0.000 1.094 648 D CA -0.116 53.931 54.000 0.079 0.000 0.856 648 D CB -0.313 40.521 40.800 0.058 0.000 0.915 648 D HN 0.505 nan 8.370 nan 0.000 0.517 649 N N 0.095 118.834 118.700 0.065 0.000 2.651 649 N HA 0.172 4.927 4.740 0.024 0.000 0.277 649 N C -1.617 173.940 175.510 0.079 0.000 1.787 649 N CA -0.223 52.859 53.050 0.053 0.000 0.818 649 N CB 0.290 38.795 38.487 0.030 0.000 1.316 649 N HN -0.063 nan 8.380 nan 0.000 0.503 650 E N 0.249 120.491 120.200 0.070 0.000 2.363 650 E HA 0.455 4.819 4.350 0.024 0.000 0.281 650 E C -1.456 175.166 176.600 0.038 0.000 0.953 650 E CA -0.747 55.687 56.400 0.057 0.000 0.778 650 E CB 2.010 31.717 29.700 0.011 0.000 1.220 650 E HN 0.262 nan 8.360 nan 0.000 0.431 651 L N 1.250 122.500 121.223 0.045 0.000 2.422 651 L HA 0.675 5.030 4.340 0.024 0.000 0.264 651 L C -1.623 175.301 176.870 0.091 0.000 0.984 651 L CA -1.105 53.773 54.840 0.063 0.000 0.819 651 L CB 1.534 43.633 42.059 0.067 0.000 1.330 651 L HN 0.648 nan 8.230 nan 0.000 0.410 652 L N 3.882 125.179 121.223 0.124 0.000 2.265 652 L HA 0.408 4.762 4.340 0.024 0.000 0.288 652 L C -0.243 176.767 176.870 0.234 0.000 1.058 652 L CA 0.100 55.051 54.840 0.185 0.000 0.809 652 L CB 0.413 42.597 42.059 0.208 0.000 1.179 652 L HN 0.691 nan 8.230 nan 0.000 0.429 653 H N 6.523 125.658 119.070 0.108 0.000 2.489 653 H HA 0.296 4.866 4.556 0.024 0.000 0.322 653 H C -1.506 173.893 175.328 0.118 0.000 1.091 653 H CA -0.686 55.383 56.048 0.035 0.000 1.291 653 H CB 0.748 30.502 29.762 -0.013 0.000 1.436 653 H HN 0.764 nan 8.280 nan 0.000 0.480 654 W N 5.326 126.379 121.300 -0.411 0.000 2.844 654 W HA 0.509 5.183 4.660 0.024 0.000 0.340 654 W C -1.925 174.367 176.519 -0.379 0.000 1.093 654 W CA -1.333 55.853 57.345 -0.265 0.000 1.212 654 W CB 1.354 30.753 29.460 -0.102 0.000 1.422 654 W HN 0.516 nan 8.180 nan 0.000 0.515 655 M N 3.430 123.093 119.600 0.104 0.000 2.371 655 M HA 0.593 5.087 4.480 0.024 0.000 0.287 655 M C -2.551 173.903 176.300 0.256 0.000 1.149 655 M CA -0.513 54.788 55.300 0.002 0.000 0.929 655 M CB 2.039 34.553 32.600 -0.143 0.000 1.683 655 M HN 0.188 nan 8.290 nan 0.000 0.470 656 V N 3.968 124.043 119.914 0.269 0.000 2.448 656 V HA 1.012 5.147 4.120 0.024 0.000 0.295 656 V C -0.334 175.857 176.094 0.163 0.000 1.025 656 V CA -0.140 62.310 62.300 0.251 0.000 0.859 656 V CB 1.146 33.128 31.823 0.264 0.000 0.988 656 V HN 1.088 nan 8.190 nan 0.000 0.431 657 A N 4.559 127.485 122.820 0.176 0.000 2.498 657 A HA 0.911 5.245 4.320 0.024 0.000 0.298 657 A C -1.519 176.175 177.584 0.185 0.000 1.075 657 A CA -0.624 51.488 52.037 0.125 0.000 0.714 657 A CB 1.774 20.808 19.000 0.056 0.000 1.299 657 A HN 0.827 nan 8.150 nan 0.000 0.407 658 L N 1.421 122.727 121.223 0.139 0.000 2.294 658 L HA 0.538 4.893 4.340 0.024 0.000 0.283 658 L C -0.698 176.263 176.870 0.151 0.000 1.015 658 L CA 0.186 55.122 54.840 0.160 0.000 0.831 658 L CB 0.613 42.734 42.059 0.103 0.000 1.217 658 L HN 0.760 nan 8.230 nan 0.000 0.420 659 D N 4.728 125.284 120.400 0.259 0.000 2.692 659 D HA -0.209 4.446 4.640 0.024 0.000 0.233 659 D C 1.169 177.495 176.300 0.043 0.000 1.172 659 D CA 1.517 55.653 54.000 0.227 0.000 0.636 659 D CB -1.079 39.831 40.800 0.182 0.000 1.028 659 D HN 1.170 nan 8.370 nan 0.000 0.419 660 G N -0.762 108.030 108.800 -0.014 0.000 2.225 660 G HA2 -0.379 3.595 3.960 0.024 0.000 0.254 660 G HA3 -0.379 3.595 3.960 0.024 0.000 0.254 660 G C 0.299 175.115 174.900 -0.140 0.000 0.988 660 G CA 0.489 45.469 45.100 -0.199 0.000 0.625 660 G HN 0.489 nan 8.290 nan 0.000 0.527 661 K N 2.161 122.531 120.400 -0.050 0.000 2.267 661 K HA 0.456 4.790 4.320 0.024 0.000 0.282 661 K C -2.458 174.131 176.600 -0.019 0.000 1.078 661 K CA -1.840 54.422 56.287 -0.042 0.000 0.903 661 K CB 1.320 33.813 32.500 -0.011 0.000 1.111 661 K HN 0.084 nan 8.250 nan 0.000 0.475 662 P HA -0.097 nan 4.420 nan 0.000 0.261 662 P C -0.059 177.244 177.300 0.005 0.000 1.173 662 P CA 0.367 63.454 63.100 -0.021 0.000 0.760 662 P CB 0.614 32.287 31.700 -0.046 0.000 0.783 663 L N 1.262 122.506 121.223 0.034 0.000 2.730 663 L HA 0.463 4.818 4.340 0.024 0.000 0.236 663 L C 0.712 177.620 176.870 0.063 0.000 1.061 663 L CA 0.362 55.232 54.840 0.050 0.000 0.898 663 L CB 0.434 42.540 42.059 0.078 0.000 1.270 663 L HN 0.426 nan 8.230 nan 0.000 0.500 664 A N -0.453 122.415 122.820 0.080 0.000 2.599 664 A HA 0.635 4.969 4.320 0.024 0.000 0.294 664 A C -0.953 176.573 177.584 -0.097 0.000 1.055 664 A CA 0.129 52.222 52.037 0.093 0.000 0.683 664 A CB 1.669 20.840 19.000 0.285 0.000 1.278 664 A HN 0.067 nan 8.150 nan 0.000 0.412 665 S N -0.358 115.030 115.700 -0.521 0.000 2.611 665 S HA 0.960 5.444 4.470 0.024 0.000 0.268 665 S C -0.276 173.376 174.600 -1.580 0.000 1.156 665 S CA 0.177 57.625 58.200 -1.254 0.000 0.817 665 S CB 1.078 63.913 63.200 -0.609 0.000 1.122 665 S HN 2.702 nan 8.310 nan 0.000 0.466 666 G N -0.022 107.576 108.800 -2.004 0.000 2.488 666 G HA2 0.624 4.599 3.960 0.024 0.000 0.301 666 G HA3 0.624 4.599 3.960 0.024 0.000 0.301 666 G C -2.057 172.428 174.900 -0.691 0.000 1.339 666 G CA -0.210 44.232 45.100 -1.097 0.000 0.803 666 G HN 1.221 nan 8.290 nan 0.000 0.482 667 E N -1.592 118.544 120.200 -0.106 0.000 2.372 667 E HA 0.657 5.021 4.350 0.024 0.000 0.279 667 E C -2.001 174.699 176.600 0.168 0.000 0.946 667 E CA -0.917 55.536 56.400 0.088 0.000 0.769 667 E CB 2.526 32.294 29.700 0.113 0.000 1.230 667 E HN 0.616 nan 8.360 nan 0.000 0.442 668 V N 2.326 122.351 119.914 0.184 0.000 2.777 668 V HA 0.428 4.563 4.120 0.024 0.000 0.306 668 V C -2.469 173.699 176.094 0.123 0.000 1.112 668 V CA -1.742 60.654 62.300 0.160 0.000 0.917 668 V CB 2.008 33.945 31.823 0.189 0.000 1.018 668 V HN 0.687 nan 8.190 nan 0.000 0.426 669 P HA 0.237 nan 4.420 nan 0.000 0.269 669 P C -0.855 176.492 177.300 0.078 0.000 1.209 669 P CA -0.051 63.095 63.100 0.078 0.000 0.776 669 P CB 0.983 32.722 31.700 0.066 0.000 0.876 670 L N 2.761 124.023 121.223 0.064 0.000 2.295 670 L HA 0.361 4.715 4.340 0.024 0.000 0.285 670 L C 0.211 177.134 176.870 0.088 0.000 1.035 670 L CA -0.100 54.774 54.840 0.056 0.000 0.806 670 L CB 1.220 43.266 42.059 -0.021 0.000 1.214 670 L HN 0.343 nan 8.230 nan 0.000 0.426 671 D N 3.489 123.955 120.400 0.111 0.000 2.429 671 D HA 0.347 5.001 4.640 0.024 0.000 0.255 671 D C -1.364 175.039 176.300 0.172 0.000 1.257 671 D CA -0.136 53.958 54.000 0.156 0.000 0.890 671 D CB 1.137 42.018 40.800 0.134 0.000 1.267 671 D HN 0.032 nan 8.370 nan 0.000 0.521 672 V N 1.735 121.753 119.914 0.173 0.000 2.540 672 V HA 0.845 4.979 4.120 0.024 0.000 0.302 672 V C 0.748 176.753 176.094 -0.149 0.000 1.035 672 V CA -1.144 61.215 62.300 0.098 0.000 0.873 672 V CB 1.367 33.305 31.823 0.192 0.000 0.992 672 V HN 0.592 nan 8.190 nan 0.000 0.428 673 A N 6.695 129.318 122.820 -0.328 0.000 2.332 673 A HA 0.718 5.052 4.320 0.024 0.000 0.258 673 A C -2.306 175.088 177.584 -0.317 0.000 1.087 673 A CA -1.483 50.085 52.037 -0.782 0.000 0.802 673 A CB -0.091 18.735 19.000 -0.290 0.000 1.042 673 A HN 0.667 nan 8.150 nan 0.000 0.489 674 P HA 0.006 nan 4.420 nan 0.000 0.262 674 P C -0.486 176.759 177.300 -0.091 0.000 1.182 674 P CA 0.646 63.684 63.100 -0.104 0.000 0.761 674 P CB 0.594 32.245 31.700 -0.082 0.000 0.795 675 Q N -0.996 118.757 119.800 -0.079 0.000 2.362 675 Q HA -0.164 4.191 4.340 0.024 0.000 0.220 675 Q C 0.773 176.746 176.000 -0.045 0.000 0.713 675 Q CA 1.819 57.578 55.803 -0.073 0.000 1.345 675 Q CB -2.535 26.156 28.738 -0.079 0.000 1.570 675 Q HN 0.761 nan 8.270 nan 0.000 0.701 676 G N 0.210 108.988 108.800 -0.035 0.000 2.537 676 G HA2 0.560 4.534 3.960 0.024 0.000 0.297 676 G HA3 0.560 4.534 3.960 0.024 0.000 0.297 676 G C -0.278 174.633 174.900 0.019 0.000 1.310 676 G CA -0.519 44.575 45.100 -0.009 0.000 1.027 676 G HN -0.002 nan 8.290 nan 0.000 0.505 677 K N -0.803 119.616 120.400 0.032 0.000 2.385 677 K HA 0.492 4.827 4.320 0.024 0.000 0.248 677 K C -0.911 175.725 176.600 0.061 0.000 0.955 677 K CA -0.618 55.697 56.287 0.047 0.000 0.816 677 K CB 2.523 35.044 32.500 0.035 0.000 1.250 677 K HN 0.567 nan 8.250 nan 0.000 0.434 678 Q N 2.791 122.635 119.800 0.073 0.000 2.315 678 Q HA 0.399 4.754 4.340 0.024 0.000 0.273 678 Q C -1.746 174.295 176.000 0.069 0.000 1.053 678 Q CA -0.690 55.157 55.803 0.074 0.000 0.817 678 Q CB 1.465 30.256 28.738 0.088 0.000 1.326 678 Q HN 0.537 nan 8.270 nan 0.000 0.423 679 L N 4.640 125.894 121.223 0.051 0.000 2.295 679 L HA 0.572 4.927 4.340 0.024 0.000 0.285 679 L C -0.532 176.355 176.870 0.027 0.000 1.035 679 L CA -0.647 54.214 54.840 0.035 0.000 0.806 679 L CB 1.446 43.515 42.059 0.017 0.000 1.214 679 L HN 0.615 nan 8.230 nan 0.000 0.426 680 I N 2.704 123.283 120.570 0.014 0.000 2.410 680 I HA 0.228 4.412 4.170 0.024 0.000 0.286 680 I C -0.566 175.512 176.117 -0.064 0.000 1.009 680 I CA -0.622 60.676 61.300 -0.002 0.000 1.111 680 I CB 2.073 40.091 38.000 0.030 0.000 1.262 680 I HN 0.502 nan 8.210 nan 0.000 0.443 681 E N 5.678 125.837 120.200 -0.067 0.000 2.130 681 E HA 0.357 4.722 4.350 0.024 0.000 0.284 681 E C -0.861 175.635 176.600 -0.173 0.000 1.018 681 E CA -0.548 55.786 56.400 -0.110 0.000 0.817 681 E CB 0.771 30.426 29.700 -0.076 0.000 1.078 681 E HN 0.237 nan 8.360 nan 0.000 0.396 682 L N 5.909 126.964 121.223 -0.280 0.000 2.380 682 L HA 0.315 4.670 4.340 0.024 0.000 0.273 682 L C -1.936 174.750 176.870 -0.306 0.000 1.138 682 L CA -2.233 52.340 54.840 -0.445 0.000 0.832 682 L CB -0.143 41.536 42.059 -0.634 0.000 1.124 682 L HN 0.442 nan 8.230 nan 0.000 0.454 683 P HA -0.055 nan 4.420 nan 0.000 0.267 683 P C -0.293 176.933 177.300 -0.124 0.000 1.195 683 P CA -0.198 62.830 63.100 -0.120 0.000 0.773 683 P CB 0.303 31.997 31.700 -0.009 0.000 0.837 684 E N 1.216 121.379 120.200 -0.061 0.000 2.585 684 E HA -0.043 4.322 4.350 0.024 0.000 0.252 684 E C -0.378 176.199 176.600 -0.039 0.000 0.981 684 E CA -0.063 56.306 56.400 -0.051 0.000 0.943 684 E CB -0.045 29.643 29.700 -0.021 0.000 0.923 684 E HN 0.232 nan 8.360 nan 0.000 0.486 685 L N 5.239 126.429 121.223 -0.055 0.000 3.048 685 L HA 0.367 4.722 4.340 0.024 0.000 0.234 685 L C -2.125 174.749 176.870 0.008 0.000 1.318 685 L CA -1.817 53.012 54.840 -0.017 0.000 1.109 685 L CB -0.319 41.723 42.059 -0.028 0.000 1.480 685 L HN 0.378 nan 8.230 nan 0.000 0.495 686 P HA -0.213 nan 4.420 nan 0.000 0.271 686 P C -0.378 176.932 177.300 0.016 0.000 1.141 686 P CA 0.562 63.670 63.100 0.014 0.000 0.750 686 P CB 0.468 32.182 31.700 0.023 0.000 0.733 687 Q N 2.840 122.646 119.800 0.010 0.000 2.337 687 Q HA 0.243 4.597 4.340 0.024 0.000 0.270 687 Q C -1.746 174.265 176.000 0.020 0.000 1.002 687 Q CA -1.378 54.431 55.803 0.011 0.000 0.888 687 Q CB -0.765 27.977 28.738 0.005 0.000 1.222 687 Q HN 0.425 nan 8.270 nan 0.000 0.400 688 P HA 0.093 nan 4.420 nan 0.000 0.274 688 P C -0.776 176.539 177.300 0.025 0.000 1.231 688 P CA -0.283 62.835 63.100 0.031 0.000 0.790 688 P CB 0.860 32.583 31.700 0.038 0.000 0.951 689 E N 0.891 121.106 120.200 0.025 0.000 2.490 689 E HA 0.415 4.779 4.350 0.024 0.000 0.232 689 E C -0.169 176.446 176.600 0.024 0.000 1.091 689 E CA -0.317 56.096 56.400 0.021 0.000 1.050 689 E CB 0.223 29.934 29.700 0.018 0.000 1.342 689 E HN 0.417 nan 8.360 nan 0.000 0.454 690 S N 0.114 115.831 115.700 0.027 0.000 2.735 690 S HA 0.390 4.874 4.470 0.024 0.000 0.279 690 S C -1.449 173.173 174.600 0.036 0.000 0.989 690 S CA -0.370 57.849 58.200 0.032 0.000 0.883 690 S CB 0.572 63.794 63.200 0.036 0.000 1.117 690 S HN 0.436 nan 8.310 nan 0.000 0.458 691 A N 1.245 124.089 122.820 0.039 0.000 2.386 691 A HA 0.820 5.154 4.320 0.024 0.000 0.248 691 A C 1.015 178.634 177.584 0.059 0.000 1.082 691 A CA 0.712 52.775 52.037 0.044 0.000 0.789 691 A CB -0.521 18.507 19.000 0.047 0.000 1.025 691 A HN 2.369 nan 8.150 nan 0.000 0.490 692 G N -0.358 108.481 108.800 0.064 0.000 2.359 692 G HA2 0.442 4.417 3.960 0.024 0.000 0.314 692 G HA3 0.442 4.417 3.960 0.024 0.000 0.314 692 G C -1.190 173.760 174.900 0.084 0.000 1.364 692 G CA -0.293 44.863 45.100 0.093 0.000 0.978 692 G HN 1.128 nan 8.290 nan 0.000 0.615 693 Q N -0.241 119.638 119.800 0.132 0.000 2.290 693 Q HA 0.732 5.086 4.340 0.024 0.000 0.259 693 Q C -0.395 175.694 176.000 0.149 0.000 0.941 693 Q CA -0.557 55.286 55.803 0.067 0.000 0.912 693 Q CB 1.342 30.109 28.738 0.049 0.000 1.244 693 Q HN 0.592 nan 8.270 nan 0.000 0.441 694 L N 4.512 125.747 121.223 0.021 0.000 2.305 694 L HA 0.464 4.818 4.340 0.024 0.000 0.281 694 L C -0.940 175.942 176.870 0.020 0.000 1.085 694 L CA -0.327 54.568 54.840 0.090 0.000 0.813 694 L CB 0.662 42.740 42.059 0.031 0.000 1.157 694 L HN 0.721 nan 8.230 nan 0.000 0.436 695 W N 4.585 125.948 121.300 0.106 0.000 2.785 695 W HA 0.485 5.159 4.660 0.024 0.000 0.333 695 W C -0.836 175.780 176.519 0.161 0.000 1.062 695 W CA -0.525 56.903 57.345 0.139 0.000 1.233 695 W CB 1.746 31.316 29.460 0.184 0.000 1.413 695 W HN 0.131 nan 8.180 nan 0.000 0.489 696 L N 3.370 124.857 121.223 0.442 0.000 2.296 696 L HA 0.728 5.082 4.340 0.024 0.000 0.286 696 L C -0.339 176.828 176.870 0.495 0.000 1.023 696 L CA 0.227 55.304 54.840 0.396 0.000 0.812 696 L CB 1.169 43.389 42.059 0.267 0.000 1.223 696 L HN 0.310 nan 8.230 nan 0.000 0.421 697 T N 5.225 120.003 114.554 0.374 0.000 2.807 697 T HA 0.651 5.016 4.350 0.024 0.000 0.279 697 T C -0.608 174.252 174.700 0.267 0.000 0.993 697 T CA -0.422 61.859 62.100 0.301 0.000 0.970 697 T CB 1.488 70.477 68.868 0.201 0.000 0.950 697 T HN 0.600 nan 8.240 nan 0.000 0.441 698 V N 1.741 121.792 119.914 0.229 0.000 2.864 698 V HA 0.895 5.029 4.120 0.024 0.000 0.314 698 V C -0.823 175.348 176.094 0.128 0.000 1.073 698 V CA -1.175 61.219 62.300 0.157 0.000 0.956 698 V CB 1.977 33.856 31.823 0.092 0.000 1.023 698 V HN 0.845 nan 8.190 nan 0.000 0.435 699 R N 1.880 122.488 120.500 0.180 0.000 2.626 699 R HA 0.715 5.070 4.340 0.024 0.000 0.274 699 R C -1.732 174.715 176.300 0.244 0.000 1.031 699 R CA -0.669 55.582 56.100 0.252 0.000 0.898 699 R CB 2.663 33.103 30.300 0.234 0.000 1.222 699 R HN 0.694 nan 8.270 nan 0.000 0.455 700 V N 3.479 123.563 119.914 0.284 0.000 2.383 700 V HA 0.383 4.518 4.120 0.024 0.000 0.275 700 V C -0.226 175.980 176.094 0.186 0.000 1.036 700 V CA -0.525 61.899 62.300 0.208 0.000 0.889 700 V CB 1.546 33.469 31.823 0.167 0.000 0.985 700 V HN 0.431 nan 8.190 nan 0.000 0.459 701 V N 5.088 125.080 119.914 0.129 0.000 2.628 701 V HA 0.415 4.550 4.120 0.024 0.000 0.306 701 V C -0.244 175.911 176.094 0.101 0.000 1.045 701 V CA -0.758 61.600 62.300 0.096 0.000 0.905 701 V CB 2.045 33.893 31.823 0.041 0.000 0.997 701 V HN 0.875 nan 8.190 nan 0.000 0.436 702 Q N 4.769 124.638 119.800 0.116 0.000 2.430 702 Q HA 0.274 4.628 4.340 0.024 0.000 0.245 702 Q C -1.840 174.186 176.000 0.043 0.000 1.021 702 Q CA -1.759 54.102 55.803 0.097 0.000 0.867 702 Q CB 1.865 30.677 28.738 0.122 0.000 1.210 702 Q HN 0.482 nan 8.270 nan 0.000 0.487 703 P HA -0.159 nan 4.420 nan 0.000 0.218 703 P C -0.545 176.748 177.300 -0.011 0.000 1.149 703 P CA 1.128 64.231 63.100 0.005 0.000 0.817 703 P CB 0.380 32.084 31.700 0.008 0.000 0.785 704 N N -0.643 118.046 118.700 -0.019 0.000 2.456 704 N HA 0.454 5.208 4.740 0.024 0.000 0.296 704 N C -0.306 175.154 175.510 -0.083 0.000 1.102 704 N CA -0.717 52.309 53.050 -0.041 0.000 0.924 704 N CB 1.002 39.468 38.487 -0.035 0.000 1.186 704 N HN -0.074 nan 8.380 nan 0.000 0.492 705 A N 0.794 123.560 122.820 -0.090 0.000 2.406 705 A HA 0.446 4.781 4.320 0.024 0.000 0.243 705 A C 0.539 178.007 177.584 -0.194 0.000 1.082 705 A CA 0.012 51.966 52.037 -0.139 0.000 0.786 705 A CB 0.009 18.949 19.000 -0.100 0.000 1.029 705 A HN 0.703 nan 8.150 nan 0.000 0.495 706 T N -3.170 111.194 114.554 -0.317 0.000 2.831 706 T HA 0.629 4.993 4.350 0.024 0.000 0.287 706 T C 0.934 175.478 174.700 -0.261 0.000 1.070 706 T CA 0.018 61.904 62.100 -0.356 0.000 1.010 706 T CB 1.154 69.579 68.868 -0.738 0.000 1.264 706 T HN 1.390 nan 8.240 nan 0.000 0.532 707 A N 0.023 122.778 122.820 -0.108 0.000 2.070 707 A HA 0.090 4.425 4.320 0.024 0.000 0.220 707 A C 1.537 179.248 177.584 0.211 0.000 1.159 707 A CA 1.094 53.175 52.037 0.073 0.000 0.656 707 A CB -0.843 18.249 19.000 0.153 0.000 0.800 707 A HN 0.919 nan 8.150 nan 0.000 0.453 708 W N -0.561 120.805 121.300 0.109 0.000 2.684 708 W HA 0.471 5.146 4.660 0.025 0.000 0.381 708 W C -0.344 176.150 176.519 -0.042 0.000 0.975 708 W CA 0.328 57.710 57.345 0.061 0.000 1.789 708 W CB -1.209 28.265 29.460 0.023 0.000 1.161 708 W HN 0.393 nan 8.180 nan 0.000 0.564 709 S N -0.464 114.872 115.700 -0.606 0.000 2.547 709 S HA 0.395 4.879 4.470 0.024 0.000 0.270 709 S C -0.992 173.406 174.600 -0.337 0.000 1.150 709 S CA -0.760 57.093 58.200 -0.578 0.000 0.850 709 S CB 2.642 65.117 63.200 -1.210 0.000 1.118 709 S HN 0.119 nan 8.310 nan 0.000 0.461 710 E N 0.694 120.793 120.200 -0.168 0.000 2.349 710 E HA 0.531 4.895 4.350 0.024 0.000 0.265 710 E C 0.420 176.986 176.600 -0.056 0.000 1.064 710 E CA -0.545 55.809 56.400 -0.076 0.000 0.886 710 E CB 1.206 30.903 29.700 -0.005 0.000 1.036 710 E HN 0.855 nan 8.360 nan 0.000 0.413 711 A N 1.171 123.963 122.820 -0.046 0.000 2.531 711 A HA 0.343 4.678 4.320 0.024 0.000 0.236 711 A C 1.179 178.764 177.584 0.001 0.000 1.062 711 A CA 0.836 52.855 52.037 -0.030 0.000 0.760 711 A CB -0.326 18.658 19.000 -0.028 0.000 0.995 711 A HN 0.833 nan 8.150 nan 0.000 0.501 712 G N 0.347 109.156 108.800 0.014 0.000 2.176 712 G HA2 -0.257 3.717 3.960 0.024 0.000 0.253 712 G HA3 -0.257 3.717 3.960 0.024 0.000 0.253 712 G C 0.266 175.201 174.900 0.058 0.000 0.979 712 G CA 0.766 45.877 45.100 0.017 0.000 0.641 712 G HN 1.810 nan 8.290 nan 0.000 0.530 713 H N 0.602 119.669 119.070 -0.005 0.000 3.001 713 H HA 0.433 5.004 4.556 0.024 0.000 0.334 713 H C 0.680 176.073 175.328 0.109 0.000 1.034 713 H CA 0.420 56.494 56.048 0.044 0.000 1.420 713 H CB 0.172 29.941 29.762 0.012 0.000 1.405 713 H HN 0.303 nan 8.280 nan 0.000 0.593 714 I N 4.576 124.901 120.570 -0.409 0.000 2.315 714 I HA 0.045 4.229 4.170 0.024 0.000 0.291 714 I C 0.955 176.925 176.117 -0.245 0.000 1.006 714 I CA 0.128 61.317 61.300 -0.184 0.000 1.265 714 I CB 1.548 39.501 38.000 -0.079 0.000 1.387 714 I HN 0.806 nan 8.210 nan 0.000 0.475 715 S N 4.215 120.008 115.700 0.155 0.000 2.506 715 S HA 0.572 5.057 4.470 0.024 0.000 0.219 715 S C 0.481 175.378 174.600 0.495 0.000 1.031 715 S CA 0.066 58.506 58.200 0.399 0.000 0.911 715 S CB 0.578 64.130 63.200 0.588 0.000 0.812 715 S HN 0.698 nan 8.310 nan 0.000 0.497 716 A N 0.366 123.516 122.820 0.550 0.000 2.608 716 A HA 0.677 5.011 4.320 0.024 0.000 0.292 716 A C -1.856 176.118 177.584 0.651 0.000 1.066 716 A CA -0.849 51.494 52.037 0.511 0.000 0.676 716 A CB 0.412 19.763 19.000 0.586 0.000 1.277 716 A HN 0.962 nan 8.150 nan 0.000 0.413 717 W N -0.425 121.066 121.300 0.317 0.000 3.059 717 W HA 0.791 5.466 4.660 0.025 0.000 0.329 717 W C -1.271 175.290 176.519 0.070 0.000 1.246 717 W CA -0.564 56.842 57.345 0.102 0.000 1.190 717 W CB 1.114 30.611 29.460 0.061 0.000 1.423 717 W HN 0.993 nan 8.180 nan 0.000 0.571 718 Q N 1.018 120.846 119.800 0.046 0.000 2.527 718 Q HA 0.444 4.798 4.340 0.024 0.000 0.280 718 Q C -1.642 174.202 176.000 -0.259 0.000 0.977 718 Q CA -0.497 55.183 55.803 -0.204 0.000 0.837 718 Q CB 2.434 30.840 28.738 -0.552 0.000 1.454 718 Q HN 0.638 nan 8.270 nan 0.000 0.387 719 Q N 1.049 120.639 119.800 -0.350 0.000 2.451 719 Q HA 0.672 5.027 4.340 0.024 0.000 0.281 719 Q C -1.182 174.744 176.000 -0.124 0.000 1.099 719 Q CA -0.695 55.109 55.803 0.002 0.000 0.806 719 Q CB 2.445 31.367 28.738 0.306 0.000 1.419 719 Q HN 0.601 nan 8.270 nan 0.000 0.427 720 W N 0.847 122.308 121.300 0.269 0.000 3.167 720 W HA 0.434 5.108 4.660 0.024 0.000 0.324 720 W C -0.475 175.957 176.519 -0.145 0.000 1.230 720 W CA -0.671 56.724 57.345 0.084 0.000 1.184 720 W CB 1.742 31.214 29.460 0.020 0.000 1.414 720 W HN 0.418 nan 8.180 nan 0.000 0.551 721 R N 1.826 122.163 120.500 -0.272 0.000 2.340 721 R HA 0.448 4.803 4.340 0.024 0.000 0.300 721 R C 0.407 176.526 176.300 -0.302 0.000 1.069 721 R CA -0.105 55.539 56.100 -0.759 0.000 0.984 721 R CB 1.097 30.892 30.300 -0.841 0.000 1.003 721 R HN 0.313 nan 8.270 nan 0.000 0.459 722 L N 1.297 122.357 121.223 -0.272 0.000 2.731 722 L HA 0.524 4.879 4.340 0.024 0.000 0.199 722 L C 0.597 177.376 176.870 -0.152 0.000 1.976 722 L CA -0.961 53.791 54.840 -0.146 0.000 2.802 722 L CB -0.123 41.888 42.059 -0.079 0.000 2.882 722 L HN 0.582 nan 8.230 nan 0.000 0.651 723 A N 0.294 123.055 122.820 -0.099 0.000 2.425 723 A HA 0.264 4.598 4.320 0.024 0.000 0.242 723 A C -0.352 177.184 177.584 -0.081 0.000 1.077 723 A CA 0.181 52.170 52.037 -0.080 0.000 0.781 723 A CB 0.245 19.216 19.000 -0.049 0.000 1.020 723 A HN 0.604 nan 8.150 nan 0.000 0.494 724 E N 1.010 121.170 120.200 -0.067 0.000 2.272 724 E HA 0.331 4.696 4.350 0.024 0.000 0.269 724 E C -1.510 175.079 176.600 -0.019 0.000 0.877 724 E CA -0.749 55.622 56.400 -0.049 0.000 0.755 724 E CB 1.022 30.681 29.700 -0.067 0.000 1.192 724 E HN 0.717 nan 8.360 nan 0.000 0.422 725 N N 5.145 123.846 118.700 0.003 0.000 2.524 725 N HA 0.274 5.028 4.740 0.024 0.000 0.261 725 N C -0.480 175.042 175.510 0.021 0.000 0.998 725 N CA -0.391 52.665 53.050 0.011 0.000 0.915 725 N CB 1.360 39.856 38.487 0.015 0.000 1.187 725 N HN 0.447 nan 8.380 nan 0.000 0.507 726 L N 0.687 121.920 121.223 0.018 0.000 2.439 726 L HA 0.117 4.471 4.340 0.024 0.000 0.269 726 L C 1.312 178.201 176.870 0.031 0.000 1.179 726 L CA 0.003 54.860 54.840 0.027 0.000 0.828 726 L CB 0.516 42.589 42.059 0.024 0.000 1.106 726 L HN 0.393 nan 8.230 nan 0.000 0.467 727 S N 1.268 116.992 115.700 0.040 0.000 2.430 727 S HA 0.190 4.674 4.470 0.024 0.000 0.282 727 S C 0.554 175.175 174.600 0.034 0.000 1.186 727 S CA -0.719 57.505 58.200 0.040 0.000 1.060 727 S CB 0.431 63.661 63.200 0.050 0.000 0.966 727 S HN 0.473 nan 8.310 nan 0.000 0.501 728 V N 2.795 122.725 119.914 0.028 0.000 3.319 728 V HA 0.378 4.512 4.120 0.024 0.000 0.317 728 V C 0.522 176.629 176.094 0.022 0.000 1.411 728 V CA 0.147 62.461 62.300 0.024 0.000 1.112 728 V CB -0.257 31.578 31.823 0.019 0.000 1.031 728 V HN 0.818 nan 8.190 nan 0.000 0.448 729 T N 2.517 117.085 114.554 0.024 0.000 2.832 729 T HA 0.625 4.990 4.350 0.024 0.000 0.313 729 T C -0.007 174.707 174.700 0.022 0.000 1.035 729 T CA -0.650 61.463 62.100 0.022 0.000 0.950 729 T CB 0.917 69.797 68.868 0.020 0.000 0.984 729 T HN 0.619 nan 8.240 nan 0.000 0.486 730 L N 2.408 123.642 121.223 0.019 0.000 2.506 730 L HA 0.410 4.764 4.340 0.024 0.000 0.281 730 L C -1.591 175.287 176.870 0.013 0.000 1.228 730 L CA -1.142 53.708 54.840 0.016 0.000 0.850 730 L CB -1.869 40.198 42.059 0.012 0.000 1.110 730 L HN 0.379 nan 8.230 nan 0.000 0.496 731 P HA -0.147 nan 4.420 nan 0.000 0.293 731 P C -0.352 176.947 177.300 -0.002 0.000 1.885 731 P CA 2.113 65.215 63.100 0.003 0.000 1.698 731 P CB -0.179 31.517 31.700 -0.006 0.000 0.328 732 A N -2.962 119.846 122.820 -0.019 0.000 2.942 732 A HA 0.541 4.875 4.320 0.024 0.000 0.229 732 A C 0.086 177.620 177.584 -0.084 0.000 1.326 732 A CA 0.223 52.242 52.037 -0.030 0.000 1.355 732 A CB -0.686 18.309 19.000 -0.010 0.000 1.231 732 A HN 0.777 nan 8.150 nan 0.000 0.851 733 A N 1.082 123.844 122.820 -0.096 0.000 1.773 733 A HA 0.185 4.519 4.320 0.024 0.000 0.341 733 A C 0.732 178.106 177.584 -0.350 0.000 0.848 733 A CA 1.421 53.363 52.037 -0.158 0.000 1.539 733 A CB -1.337 17.588 19.000 -0.125 0.000 0.635 733 A HN 1.990 nan 8.150 nan 0.000 0.205 734 S N 2.044 117.586 115.700 -0.263 0.000 2.669 734 S HA 0.616 5.101 4.470 0.024 0.000 0.315 734 S C 0.380 174.841 174.600 -0.232 0.000 1.106 734 S CA 0.138 58.109 58.200 -0.381 0.000 1.107 734 S CB 0.561 63.656 63.200 -0.176 0.000 0.990 734 S HN 0.871 nan 8.310 nan 0.000 0.471 735 H N 1.884 120.968 119.070 0.022 0.000 1.455 735 H HA -0.362 4.208 4.556 0.024 0.000 0.090 735 H C 1.150 176.492 175.328 0.024 0.000 0.566 735 H CA 2.023 58.083 56.048 0.021 0.000 1.901 735 H CB -1.408 28.365 29.762 0.018 0.000 2.257 735 H HN 1.069 nan 8.280 nan 0.000 0.961 736 A N 2.016 124.919 122.820 0.138 0.000 2.425 736 A HA 0.463 4.798 4.320 0.024 0.000 0.242 736 A C 0.295 177.923 177.584 0.073 0.000 1.077 736 A CA 0.188 52.285 52.037 0.100 0.000 0.781 736 A CB 0.259 19.314 19.000 0.091 0.000 1.020 736 A HN 0.344 nan 8.150 nan 0.000 0.494 737 I N 2.051 122.664 120.570 0.072 0.000 2.474 737 I HA 0.303 4.487 4.170 0.024 0.000 0.294 737 I C -2.164 173.999 176.117 0.076 0.000 1.005 737 I CA -2.014 59.321 61.300 0.058 0.000 1.113 737 I CB 2.170 40.204 38.000 0.056 0.000 1.289 737 I HN 0.457 nan 8.210 nan 0.000 0.436 738 P HA 0.132 nan 4.420 nan 0.000 0.274 738 P C -1.104 176.274 177.300 0.129 0.000 1.237 738 P CA 0.051 63.202 63.100 0.085 0.000 0.793 738 P CB 0.414 32.112 31.700 -0.002 0.000 0.977 739 H N 1.766 120.867 119.070 0.052 0.000 2.600 739 H HA 0.425 4.995 4.556 0.024 0.000 0.357 739 H C -1.451 173.904 175.328 0.046 0.000 1.106 739 H CA -0.951 55.118 56.048 0.036 0.000 1.193 739 H CB 1.430 31.213 29.762 0.036 0.000 1.594 739 H HN 0.211 nan 8.280 nan 0.000 0.526 740 L N 4.347 125.103 121.223 -0.779 0.000 2.292 740 L HA 0.330 4.684 4.340 0.024 0.000 0.284 740 L C -0.696 175.706 176.870 -0.781 0.000 1.065 740 L CA 0.092 54.580 54.840 -0.587 0.000 0.806 740 L CB 1.430 43.288 42.059 -0.333 0.000 1.175 740 L HN 0.597 nan 8.230 nan 0.000 0.431 741 T N 3.618 118.015 114.554 -0.263 0.000 2.815 741 T HA 0.463 4.828 4.350 0.024 0.000 0.289 741 T C -0.417 174.329 174.700 0.076 0.000 1.000 741 T CA -0.359 61.719 62.100 -0.036 0.000 0.958 741 T CB 0.976 69.895 68.868 0.084 0.000 0.944 741 T HN 0.684 nan 8.240 nan 0.000 0.442 742 T N 3.113 117.728 114.554 0.101 0.000 2.794 742 T HA 0.674 5.039 4.350 0.024 0.000 0.280 742 T C 0.218 174.968 174.700 0.085 0.000 0.987 742 T CA -0.732 61.469 62.100 0.168 0.000 0.993 742 T CB 1.197 70.192 68.868 0.211 0.000 0.939 742 T HN 0.677 nan 8.240 nan 0.000 0.449 743 S N 1.773 117.491 115.700 0.030 0.000 2.745 743 S HA 0.506 4.991 4.470 0.024 0.000 0.306 743 S C 0.846 175.400 174.600 -0.077 0.000 1.137 743 S CA -0.867 57.327 58.200 -0.009 0.000 0.900 743 S CB 1.555 64.752 63.200 -0.005 0.000 1.176 743 S HN 0.479 nan 8.310 nan 0.000 0.520 744 E N 0.296 120.458 120.200 -0.063 0.000 2.077 744 E HA -0.122 4.242 4.350 0.024 0.000 0.193 744 E C 1.545 178.058 176.600 -0.145 0.000 0.989 744 E CA 1.691 58.039 56.400 -0.087 0.000 0.800 744 E CB -0.385 29.286 29.700 -0.049 0.000 0.746 744 E HN 0.747 nan 8.360 nan 0.000 0.452 745 M N -0.319 119.209 119.600 -0.120 0.000 2.441 745 M HA 0.241 4.735 4.480 0.024 0.000 0.244 745 M C -0.066 176.142 176.300 -0.153 0.000 1.122 745 M CA 0.420 55.649 55.300 -0.119 0.000 1.041 745 M CB 0.463 33.031 32.600 -0.053 0.000 1.438 745 M HN -0.276 nan 8.290 nan 0.000 0.484 746 D N -0.630 119.656 120.400 -0.191 0.000 2.599 746 D HA 0.420 5.074 4.640 0.024 0.000 0.252 746 D C -1.382 174.803 176.300 -0.192 0.000 1.232 746 D CA -0.404 53.500 54.000 -0.160 0.000 0.819 746 D CB 2.078 42.890 40.800 0.020 0.000 1.401 746 D HN 0.040 nan 8.370 nan 0.000 0.429 747 F N 0.913 120.931 119.950 0.114 0.000 2.427 747 F HA 0.360 4.901 4.527 0.024 0.000 0.348 747 F C 0.151 176.064 175.800 0.188 0.000 1.125 747 F CA -0.911 57.149 58.000 0.100 0.000 0.989 747 F CB 1.602 40.624 39.000 0.036 0.000 1.165 747 F HN 0.090 nan 8.300 nan 0.000 0.442 748 C N 5.761 125.241 119.300 0.300 0.000 2.382 748 C HA 0.799 5.273 4.460 0.024 0.000 0.327 748 C C -0.328 174.794 174.990 0.219 0.000 1.250 748 C CA -0.700 58.476 59.018 0.263 0.000 1.707 748 C CB 0.233 28.071 27.740 0.163 0.000 2.272 748 C HN 0.754 nan 8.230 nan 0.000 0.506 749 I N 4.581 125.339 120.570 0.314 0.000 2.436 749 I HA 0.418 4.603 4.170 0.024 0.000 0.289 749 I C -0.813 175.560 176.117 0.427 0.000 1.010 749 I CA -0.018 61.446 61.300 0.274 0.000 1.098 749 I CB 1.767 39.883 38.000 0.193 0.000 1.266 749 I HN 0.589 nan 8.210 nan 0.000 0.434 750 E N 6.349 126.733 120.200 0.307 0.000 2.199 750 E HA 0.658 5.022 4.350 0.024 0.000 0.269 750 E C -1.142 175.644 176.600 0.311 0.000 0.899 750 E CA -0.599 55.978 56.400 0.295 0.000 0.772 750 E CB 2.441 32.245 29.700 0.173 0.000 1.155 750 E HN 0.364 nan 8.360 nan 0.000 0.408 751 L N 2.893 124.316 121.223 0.334 0.000 2.514 751 L HA 0.564 4.918 4.340 0.024 0.000 0.257 751 L C 0.417 177.376 176.870 0.148 0.000 1.101 751 L CA 0.559 55.566 54.840 0.278 0.000 0.911 751 L CB 0.437 42.726 42.059 0.382 0.000 1.162 751 L HN 0.679 nan 8.230 nan 0.000 0.477 752 G N 3.605 112.457 108.800 0.087 0.000 2.565 752 G HA2 -0.433 3.541 3.960 0.024 0.000 0.295 752 G HA3 -0.433 3.541 3.960 0.024 0.000 0.295 752 G C 0.658 175.557 174.900 -0.002 0.000 1.165 752 G CA 0.535 45.658 45.100 0.038 0.000 0.977 752 G HN 0.901 nan 8.290 nan 0.000 0.546 753 N N 1.562 120.249 118.700 -0.022 0.000 2.467 753 N HA 0.076 4.831 4.740 0.024 0.000 0.184 753 N C 0.528 175.977 175.510 -0.101 0.000 1.106 753 N CA 1.054 54.070 53.050 -0.056 0.000 0.892 753 N CB 0.130 38.587 38.487 -0.050 0.000 0.969 753 N HN 0.728 nan 8.380 nan 0.000 0.454 754 K N 0.456 120.775 120.400 -0.135 0.000 2.182 754 K HA 0.411 4.745 4.320 0.024 0.000 0.262 754 K C -0.547 175.839 176.600 -0.357 0.000 0.957 754 K CA -0.645 55.435 56.287 -0.345 0.000 0.842 754 K CB 2.276 34.471 32.500 -0.508 0.000 1.099 754 K HN -0.012 nan 8.250 nan 0.000 0.438 755 R N 2.142 122.393 120.500 -0.415 0.000 2.744 755 R HA 0.440 4.794 4.340 0.024 0.000 0.279 755 R C -1.580 174.686 176.300 -0.057 0.000 0.977 755 R CA -0.579 55.454 56.100 -0.112 0.000 0.906 755 R CB 1.414 31.603 30.300 -0.186 0.000 1.197 755 R HN 0.611 nan 8.270 nan 0.000 0.463 756 W N 3.171 124.601 121.300 0.216 0.000 2.957 756 W HA 0.307 4.981 4.660 0.024 0.000 0.336 756 W C -0.926 175.688 176.519 0.160 0.000 1.087 756 W CA -0.681 56.739 57.345 0.125 0.000 1.235 756 W CB 2.246 31.741 29.460 0.057 0.000 1.399 756 W HN 0.428 nan 8.180 nan 0.000 0.480 757 Q N 2.812 122.762 119.800 0.250 0.000 2.327 757 Q HA 0.392 4.746 4.340 0.024 0.000 0.270 757 Q C -1.786 174.132 176.000 -0.137 0.000 1.022 757 Q CA -0.522 55.396 55.803 0.191 0.000 0.773 757 Q CB 1.256 30.185 28.738 0.319 0.000 1.251 757 Q HN 0.366 nan 8.270 nan 0.000 0.457 758 F N 3.156 123.190 119.950 0.140 0.000 2.361 758 F HA 0.271 4.813 4.527 0.024 0.000 0.364 758 F C 0.641 176.475 175.800 0.058 0.000 1.117 758 F CA -0.966 57.087 58.000 0.088 0.000 1.071 758 F CB 0.873 39.929 39.000 0.094 0.000 1.188 758 F HN 0.463 nan 8.300 nan 0.000 0.464 759 N N 3.334 122.129 118.700 0.158 0.000 2.475 759 N HA 0.067 4.821 4.740 0.024 0.000 0.267 759 N C 0.929 176.454 175.510 0.026 0.000 1.169 759 N CA 0.193 53.289 53.050 0.077 0.000 0.947 759 N CB 0.707 39.246 38.487 0.087 0.000 1.061 759 N HN 0.636 nan 8.380 nan 0.000 0.466 760 R N 1.903 122.342 120.500 -0.101 0.000 2.240 760 R HA 0.055 4.409 4.340 0.024 0.000 0.203 760 R C 1.242 177.477 176.300 -0.109 0.000 1.011 760 R CA 0.640 56.626 56.100 -0.191 0.000 1.007 760 R CB 0.286 30.334 30.300 -0.421 0.000 0.911 760 R HN 0.619 nan 8.270 nan 0.000 0.468 761 Q N -0.232 119.532 119.800 -0.061 0.000 2.212 761 Q HA -0.012 4.343 4.340 0.024 0.000 0.199 761 Q C 2.063 178.054 176.000 -0.015 0.000 0.950 761 Q CA 1.653 57.434 55.803 -0.037 0.000 0.863 761 Q CB 0.362 29.091 28.738 -0.014 0.000 0.944 761 Q HN 0.309 nan 8.270 nan 0.000 0.465 762 S N -1.409 114.303 115.700 0.020 0.000 2.456 762 S HA 0.205 4.689 4.470 0.024 0.000 0.224 762 S C 1.497 176.027 174.600 -0.116 0.000 1.035 762 S CA 0.836 59.070 58.200 0.056 0.000 0.940 762 S CB 0.445 63.785 63.200 0.233 0.000 0.799 762 S HN 0.407 nan 8.310 nan 0.000 0.508 763 G N 0.399 109.144 108.800 -0.092 0.000 2.141 763 G HA2 -0.186 3.788 3.960 0.024 0.000 0.242 763 G HA3 -0.186 3.788 3.960 0.024 0.000 0.242 763 G C -0.121 174.692 174.900 -0.144 0.000 0.982 763 G CA 0.136 45.161 45.100 -0.124 0.000 0.662 763 G HN 0.525 nan 8.290 nan 0.000 0.527 764 F N -0.990 119.137 119.950 0.295 0.000 2.556 764 F HA 0.673 5.214 4.527 0.024 0.000 0.327 764 F C 0.515 176.337 175.800 0.038 0.000 1.059 764 F CA -1.444 56.687 58.000 0.218 0.000 0.953 764 F CB 1.502 40.586 39.000 0.139 0.000 1.227 764 F HN 0.016 nan 8.300 nan 0.000 0.478 765 L N 2.175 123.433 121.223 0.058 0.000 2.565 765 L HA 0.121 4.475 4.340 0.024 0.000 0.275 765 L C 1.048 177.818 176.870 -0.167 0.000 1.137 765 L CA 0.527 55.069 54.840 -0.497 0.000 0.915 765 L CB 0.288 42.009 42.059 -0.563 0.000 1.232 765 L HN 0.727 nan 8.230 nan 0.000 0.473 766 S N 2.600 118.205 115.700 -0.158 0.000 2.503 766 S HA 0.238 4.722 4.470 0.024 0.000 0.215 766 S C 0.554 175.044 174.600 -0.183 0.000 1.003 766 S CA -0.006 58.145 58.200 -0.081 0.000 0.910 766 S CB 0.105 63.307 63.200 0.004 0.000 0.790 766 S HN 0.700 nan 8.310 nan 0.000 0.514 767 Q N -0.018 119.616 119.800 -0.277 0.000 2.472 767 Q HA 0.640 4.995 4.340 0.024 0.000 0.281 767 Q C -1.845 173.824 176.000 -0.551 0.000 0.997 767 Q CA -0.436 55.068 55.803 -0.497 0.000 0.828 767 Q CB 1.721 30.055 28.738 -0.674 0.000 1.443 767 Q HN 0.303 nan 8.270 nan 0.000 0.390 768 M N 2.465 121.601 119.600 -0.773 0.000 2.421 768 M HA 0.522 5.016 4.480 0.024 0.000 0.287 768 M C -2.035 173.943 176.300 -0.537 0.000 1.183 768 M CA -0.075 54.905 55.300 -0.534 0.000 0.916 768 M CB 1.717 34.008 32.600 -0.516 0.000 1.701 768 M HN 0.816 nan 8.290 nan 0.000 0.470 769 W N 4.494 125.556 121.300 -0.397 0.000 2.950 769 W HA 0.609 5.283 4.660 0.024 0.000 0.340 769 W C -1.190 175.126 176.519 -0.340 0.000 1.139 769 W CA -0.710 56.462 57.345 -0.288 0.000 1.188 769 W CB 1.837 31.168 29.460 -0.214 0.000 1.426 769 W HN 0.481 nan 8.180 nan 0.000 0.531 770 I N 2.232 122.804 120.570 0.004 0.000 2.448 770 I HA 0.444 4.629 4.170 0.024 0.000 0.281 770 I C 0.719 176.826 176.117 -0.017 0.000 1.027 770 I CA 0.277 61.530 61.300 -0.078 0.000 1.111 770 I CB 1.072 38.998 38.000 -0.124 0.000 1.236 770 I HN 0.716 nan 8.210 nan 0.000 0.452 771 G N 5.426 114.209 108.800 -0.028 0.000 2.531 771 G HA2 -0.284 3.690 3.960 0.024 0.000 0.274 771 G HA3 -0.284 3.690 3.960 0.024 0.000 0.274 771 G C 0.412 175.324 174.900 0.021 0.000 1.159 771 G CA 0.429 45.517 45.100 -0.020 0.000 0.969 771 G HN 0.775 nan 8.290 nan 0.000 0.554 772 D N 0.697 121.124 120.400 0.044 0.000 2.363 772 D HA 0.104 4.758 4.640 0.024 0.000 0.214 772 D C 0.198 176.637 176.300 0.231 0.000 1.093 772 D CA 0.055 54.117 54.000 0.104 0.000 0.837 772 D CB 0.196 41.016 40.800 0.034 0.000 0.948 772 D HN 0.330 nan 8.370 nan 0.000 0.507 773 K N 1.911 122.405 120.400 0.158 0.000 2.284 773 K HA 0.212 4.546 4.320 0.024 0.000 0.287 773 K C 0.155 176.754 176.600 -0.002 0.000 1.081 773 K CA -0.301 56.028 56.287 0.070 0.000 0.910 773 K CB 1.747 34.246 32.500 -0.002 0.000 1.088 773 K HN 0.069 nan 8.250 nan 0.000 0.478 774 K N 2.011 122.321 120.400 -0.151 0.000 2.436 774 K HA -0.025 4.309 4.320 0.024 0.000 0.275 774 K C 1.142 177.540 176.600 -0.338 0.000 0.999 774 K CA 0.225 56.177 56.287 -0.557 0.000 0.980 774 K CB 0.635 32.864 32.500 -0.451 0.000 0.919 774 K HN 0.374 nan 8.250 nan 0.000 0.484 775 Q N 1.665 121.246 119.800 -0.365 0.000 2.246 775 Q HA 0.185 4.539 4.340 0.024 0.000 0.222 775 Q C -0.099 175.840 176.000 -0.102 0.000 0.851 775 Q CA 0.267 55.993 55.803 -0.128 0.000 0.945 775 Q CB 0.636 29.382 28.738 0.014 0.000 1.122 775 Q HN 0.490 nan 8.270 nan 0.000 0.508 776 L N 0.832 121.921 121.223 -0.223 0.000 2.346 776 L HA 0.396 4.750 4.340 0.024 0.000 0.274 776 L C 0.903 177.649 176.870 -0.207 0.000 1.007 776 L CA -0.367 54.359 54.840 -0.190 0.000 0.818 776 L CB 1.728 43.662 42.059 -0.209 0.000 1.284 776 L HN -0.054 nan 8.230 nan 0.000 0.424 777 L N 0.490 121.584 121.223 -0.215 0.000 2.515 777 L HA 0.250 4.604 4.340 0.024 0.000 0.223 777 L C 0.084 176.835 176.870 -0.199 0.000 1.079 777 L CA 0.611 55.325 54.840 -0.210 0.000 0.857 777 L CB 0.516 42.433 42.059 -0.236 0.000 1.050 777 L HN 0.600 nan 8.230 nan 0.000 0.476 778 T N 0.201 114.618 114.554 -0.229 0.000 2.993 778 T HA 0.366 4.731 4.350 0.024 0.000 0.312 778 T C -2.650 171.976 174.700 -0.122 0.000 1.115 778 T CA -1.067 60.936 62.100 -0.161 0.000 1.027 778 T CB 2.572 71.306 68.868 -0.223 0.000 1.116 778 T HN -0.273 nan 8.240 nan 0.000 0.464 779 P HA 0.130 nan 4.420 nan 0.000 0.268 779 P C -0.482 176.779 177.300 -0.064 0.000 1.208 779 P CA -0.700 62.370 63.100 -0.050 0.000 0.777 779 P CB 0.401 32.105 31.700 0.005 0.000 0.875 780 L N 3.982 125.206 121.223 0.001 0.000 2.433 780 L HA 0.202 4.556 4.340 0.024 0.000 0.275 780 L C 0.266 177.068 176.870 -0.114 0.000 1.128 780 L CA 0.731 55.598 54.840 0.045 0.000 0.875 780 L CB -0.623 41.574 42.059 0.230 0.000 1.171 780 L HN 0.310 nan 8.230 nan 0.000 0.463 781 R N 2.873 123.223 120.500 -0.249 0.000 2.837 781 R HA 0.452 4.807 4.340 0.024 0.000 0.271 781 R C -0.971 175.159 176.300 -0.282 0.000 0.993 781 R CA -1.035 54.730 56.100 -0.558 0.000 0.931 781 R CB 1.286 31.163 30.300 -0.705 0.000 1.206 781 R HN 0.564 nan 8.270 nan 0.000 0.474 782 D N 1.108 121.387 120.400 -0.202 0.000 2.368 782 D HA 0.061 4.715 4.640 0.024 0.000 0.240 782 D C -0.429 175.457 176.300 -0.691 0.000 1.169 782 D CA 0.347 54.103 54.000 -0.407 0.000 0.906 782 D CB 0.656 41.132 40.800 -0.541 0.000 1.187 782 D HN 0.206 nan 8.370 nan 0.000 0.435 783 Q N 0.835 120.040 119.800 -0.992 0.000 2.289 783 Q HA 0.315 4.670 4.340 0.024 0.000 0.270 783 Q C -1.318 173.944 176.000 -1.230 0.000 1.038 783 Q CA -0.577 54.696 55.803 -0.884 0.000 0.812 783 Q CB 0.836 29.276 28.738 -0.496 0.000 1.300 783 Q HN 0.550 nan 8.270 nan 0.000 0.427 784 F N 0.830 120.359 119.950 -0.702 0.000 2.688 784 F HA 0.207 4.748 4.527 0.024 0.000 0.310 784 F C 0.605 175.931 175.800 -0.790 0.000 1.098 784 F CA -0.144 57.321 58.000 -0.893 0.000 1.228 784 F CB 1.553 39.642 39.000 -1.519 0.000 1.042 784 F HN 0.452 nan 8.300 nan 0.000 0.557 785 T N -0.883 113.327 114.554 -0.573 0.000 2.887 785 T HA 0.768 5.133 4.350 0.024 0.000 0.292 785 T C -0.644 173.777 174.700 -0.465 0.000 1.087 785 T CA -1.003 60.696 62.100 -0.668 0.000 1.009 785 T CB 2.780 71.179 68.868 -0.781 0.000 1.203 785 T HN 0.243 nan 8.240 nan 0.000 0.518 786 R N 0.062 120.329 120.500 -0.388 0.000 2.771 786 R HA 0.776 5.130 4.340 0.024 0.000 0.274 786 R C -0.767 175.574 176.300 0.068 0.000 0.987 786 R CA -1.228 54.784 56.100 -0.147 0.000 0.908 786 R CB 1.594 31.816 30.300 -0.131 0.000 1.213 786 R HN 0.834 nan 8.270 nan 0.000 0.468 787 A N 3.693 126.541 122.820 0.047 0.000 2.484 787 A HA 0.269 4.603 4.320 0.024 0.000 0.268 787 A C -1.942 175.695 177.584 0.089 0.000 1.114 787 A CA -1.298 50.769 52.037 0.049 0.000 0.780 787 A CB -0.429 18.545 19.000 -0.043 0.000 1.061 787 A HN 0.582 nan 8.150 nan 0.000 0.505 788 P HA 0.070 nan 4.420 nan 0.000 0.264 788 P C -0.204 177.199 177.300 0.173 0.000 1.193 788 P CA 0.414 63.661 63.100 0.247 0.000 0.763 788 P CB 0.389 32.268 31.700 0.298 0.000 0.810 789 L N 2.712 124.002 121.223 0.112 0.000 2.472 789 L HA 0.109 4.464 4.340 0.024 0.000 0.260 789 L C 1.899 178.781 176.870 0.019 0.000 1.209 789 L CA -0.305 54.534 54.840 -0.002 0.000 0.817 789 L CB -0.100 41.885 42.059 -0.122 0.000 1.106 789 L HN 0.324 nan 8.230 nan 0.000 0.479 790 D N 0.446 120.800 120.400 -0.078 0.000 2.149 790 D HA -0.154 4.500 4.640 0.024 0.000 0.198 790 D C 1.596 177.809 176.300 -0.145 0.000 0.990 790 D CA 1.287 55.161 54.000 -0.210 0.000 0.839 790 D CB 0.067 40.660 40.800 -0.345 0.000 0.948 790 D HN 0.481 nan 8.370 nan 0.000 0.460 791 N N 1.035 119.666 118.700 -0.116 0.000 2.309 791 N HA -0.109 4.645 4.740 0.024 0.000 0.182 791 N C 1.139 176.652 175.510 0.005 0.000 1.018 791 N CA 0.700 53.711 53.050 -0.065 0.000 0.876 791 N CB -0.127 38.311 38.487 -0.082 0.000 0.972 791 N HN 0.255 nan 8.380 nan 0.000 0.434 792 D N 0.314 120.735 120.400 0.035 0.000 2.194 792 D HA 0.062 4.716 4.640 0.024 0.000 0.204 792 D C 1.990 178.333 176.300 0.071 0.000 0.964 792 D CA 0.379 54.438 54.000 0.099 0.000 0.846 792 D CB 0.171 41.114 40.800 0.239 0.000 0.962 792 D HN 0.315 nan 8.370 nan 0.000 0.490 793 I N 0.155 120.751 120.570 0.043 0.000 2.494 793 I HA 0.064 4.249 4.170 0.024 0.000 0.250 793 I C 1.818 177.951 176.117 0.027 0.000 1.112 793 I CA 0.575 61.887 61.300 0.021 0.000 1.438 793 I CB -0.369 37.613 38.000 -0.030 0.000 1.111 793 I HN 0.046 nan 8.210 nan 0.000 0.431 794 G N 1.577 110.406 108.800 0.049 0.000 2.611 794 G HA2 -0.355 3.620 3.960 0.024 0.000 0.301 794 G HA3 -0.355 3.620 3.960 0.024 0.000 0.301 794 G C 0.708 175.770 174.900 0.270 0.000 1.233 794 G CA 0.906 46.103 45.100 0.162 0.000 0.993 794 G HN 0.505 nan 8.290 nan 0.000 0.553 795 V N -1.902 118.118 119.914 0.176 0.000 3.596 795 V HA 0.598 4.732 4.120 0.024 0.000 0.289 795 V C 1.309 177.423 176.094 0.035 0.000 1.336 795 V CA 1.238 63.589 62.300 0.085 0.000 1.137 795 V CB 0.039 31.807 31.823 -0.091 0.000 0.966 795 V HN 1.213 nan 8.190 nan 0.000 0.428 796 S N 1.177 116.897 115.700 0.033 0.000 2.552 796 S HA 0.255 4.739 4.470 0.024 0.000 0.289 796 S C -0.098 174.509 174.600 0.011 0.000 1.304 796 S CA 0.221 58.424 58.200 0.005 0.000 1.063 796 S CB 0.231 63.429 63.200 -0.003 0.000 0.848 796 S HN 0.829 nan 8.310 nan 0.000 0.499 797 E N 1.501 121.702 120.200 0.002 0.000 2.340 797 E HA 0.577 4.942 4.350 0.024 0.000 0.273 797 E C 0.435 177.040 176.600 0.009 0.000 0.891 797 E CA -0.450 55.956 56.400 0.009 0.000 0.757 797 E CB 1.522 31.224 29.700 0.004 0.000 1.231 797 E HN 0.611 nan 8.360 nan 0.000 0.439 798 A N 1.305 124.135 122.820 0.018 0.000 1.908 798 A HA -0.177 4.158 4.320 0.024 0.000 0.218 798 A C 1.982 179.573 177.584 0.011 0.000 1.181 798 A CA 2.360 54.407 52.037 0.017 0.000 0.627 798 A CB -0.785 18.230 19.000 0.025 0.000 0.818 798 A HN 0.633 nan 8.150 nan 0.000 0.445 799 T N -2.763 111.797 114.554 0.011 0.000 3.118 799 T HA 0.051 4.415 4.350 0.024 0.000 0.260 799 T C 0.786 175.483 174.700 -0.005 0.000 1.139 799 T CA 0.809 62.913 62.100 0.005 0.000 1.085 799 T CB -0.226 68.646 68.868 0.007 0.000 0.934 799 T HN 0.395 nan 8.240 nan 0.000 0.518 800 R N 0.983 121.477 120.500 -0.009 0.000 3.101 800 R HA 0.295 4.650 4.340 0.024 0.000 0.242 800 R C -1.223 175.064 176.300 -0.022 0.000 1.831 800 R CA -0.578 55.509 56.100 -0.021 0.000 1.321 800 R CB 0.205 30.486 30.300 -0.032 0.000 1.512 800 R HN 0.239 nan 8.270 nan 0.000 0.568 801 I N 1.837 122.396 120.570 -0.018 0.000 2.588 801 I HA 0.033 4.218 4.170 0.024 0.000 0.283 801 I C 0.382 176.478 176.117 -0.033 0.000 1.119 801 I CA 0.248 61.536 61.300 -0.021 0.000 1.419 801 I CB 1.000 38.989 38.000 -0.017 0.000 1.394 801 I HN 0.488 nan 8.210 nan 0.000 0.562 802 D N 9.179 129.556 120.400 -0.038 0.000 2.443 802 D HA 0.248 4.902 4.640 0.024 0.000 0.221 802 D C -1.646 174.610 176.300 -0.073 0.000 1.097 802 D CA -2.219 51.749 54.000 -0.053 0.000 0.865 802 D CB 1.575 42.346 40.800 -0.049 0.000 1.034 802 D HN 0.203 nan 8.370 nan 0.000 0.511 803 P HA -0.118 nan 4.420 nan 0.000 0.225 803 P C 0.837 178.047 177.300 -0.151 0.000 1.148 803 P CA 0.739 63.781 63.100 -0.097 0.000 0.779 803 P CB 0.272 31.924 31.700 -0.080 0.000 0.780 804 N N -0.423 118.180 118.700 -0.161 0.000 2.424 804 N HA 0.041 4.795 4.740 0.024 0.000 0.178 804 N C 0.395 175.714 175.510 -0.319 0.000 1.060 804 N CA -0.174 52.733 53.050 -0.237 0.000 0.901 804 N CB 0.046 38.424 38.487 -0.181 0.000 0.979 804 N HN -0.039 nan 8.380 nan 0.000 0.451 805 A N 0.461 123.144 122.820 -0.227 0.000 2.511 805 A HA -0.031 4.303 4.320 0.024 0.000 0.242 805 A C 0.499 177.885 177.584 -0.331 0.000 1.069 805 A CA -0.276 51.631 52.037 -0.217 0.000 0.763 805 A CB -0.174 18.769 19.000 -0.095 0.000 1.001 805 A HN 0.480 nan 8.150 nan 0.000 0.498 806 W N 1.843 122.887 121.300 -0.427 0.000 2.318 806 W HA -0.204 4.471 4.660 0.024 0.000 0.313 806 W C 2.216 178.153 176.519 -0.970 0.000 1.221 806 W CA 1.778 58.591 57.345 -0.887 0.000 1.266 806 W CB -0.406 28.404 29.460 -1.083 0.000 1.150 806 W HN 0.567 nan 8.180 nan 0.000 0.496 807 V N 0.966 120.758 119.914 -0.204 0.000 2.392 807 V HA -0.278 3.856 4.120 0.024 0.000 0.249 807 V C 2.124 178.285 176.094 0.111 0.000 1.059 807 V CA 2.177 64.561 62.300 0.140 0.000 1.051 807 V CB -0.348 31.602 31.823 0.210 0.000 0.658 807 V HN 0.118 nan 8.190 nan 0.000 0.455 808 E N -0.145 120.032 120.200 -0.039 0.000 2.152 808 E HA -0.165 4.199 4.350 0.024 0.000 0.192 808 E C 2.316 178.878 176.600 -0.064 0.000 0.983 808 E CA 0.949 57.329 56.400 -0.033 0.000 0.818 808 E CB -0.292 29.372 29.700 -0.061 0.000 0.758 808 E HN 0.624 nan 8.360 nan 0.000 0.467 809 R N -0.038 120.346 120.500 -0.194 0.000 2.075 809 R HA -0.101 4.253 4.340 0.024 0.000 0.232 809 R C 2.309 178.545 176.300 -0.107 0.000 1.126 809 R CA 1.279 57.244 56.100 -0.224 0.000 0.963 809 R CB -0.171 29.875 30.300 -0.423 0.000 0.858 809 R HN 0.237 nan 8.270 nan 0.000 0.435 810 W N 1.542 122.816 121.300 -0.043 0.000 2.355 810 W HA -0.095 4.579 4.660 0.024 0.000 0.309 810 W C 1.950 178.454 176.519 -0.025 0.000 1.206 810 W CA 0.818 58.069 57.345 -0.158 0.000 1.284 810 W CB -0.725 28.781 29.460 0.077 0.000 1.145 810 W HN 0.106 nan 8.180 nan 0.000 0.502 811 K N 0.160 120.788 120.400 0.380 0.000 2.026 811 K HA -0.097 4.237 4.320 0.024 0.000 0.208 811 K C 2.299 178.972 176.600 0.122 0.000 1.048 811 K CA 1.823 58.282 56.287 0.286 0.000 0.929 811 K CB -0.669 31.939 32.500 0.179 0.000 0.713 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.331 124.191 122.820 0.066 0.000 1.972 812 A HA -0.105 4.229 4.320 0.024 0.000 0.219 812 A C 2.247 179.851 177.584 0.033 0.000 1.169 812 A CA 1.817 53.878 52.037 0.041 0.000 0.635 812 A CB -0.603 18.403 19.000 0.009 0.000 0.810 812 A HN 0.347 nan 8.150 nan 0.000 0.446 813 A N -1.872 120.941 122.820 -0.012 0.000 2.206 813 A HA 0.390 4.725 4.320 0.024 0.000 0.211 813 A C 1.825 179.395 177.584 -0.023 0.000 1.158 813 A CA 1.258 53.301 52.037 0.010 0.000 0.761 813 A CB -0.915 18.035 19.000 -0.084 0.000 0.801 813 A HN 1.909 nan 8.150 nan 0.000 0.473 814 G N -1.567 107.117 108.800 -0.194 0.000 2.136 814 G HA2 -0.303 3.672 3.960 0.024 0.000 0.242 814 G HA3 -0.303 3.672 3.960 0.024 0.000 0.242 814 G C 0.557 175.437 174.900 -0.034 0.000 0.989 814 G CA 0.677 45.418 45.100 -0.598 0.000 0.682 814 G HN 0.756 nan 8.290 nan 0.000 0.522 815 H N -1.535 117.530 119.070 -0.008 0.000 2.387 815 H HA -0.078 4.493 4.556 0.024 0.000 0.299 815 H C 2.190 177.495 175.328 -0.039 0.000 1.090 815 H CA 1.600 57.659 56.048 0.019 0.000 1.332 815 H CB 0.088 29.799 29.762 -0.086 0.000 1.386 815 H HN 0.603 nan 8.280 nan 0.000 0.516 816 Y N 0.997 121.418 120.300 0.201 0.000 2.516 816 Y HA -0.085 4.479 4.550 0.024 0.000 0.291 816 Y C 2.118 178.089 175.900 0.118 0.000 1.131 816 Y CA 0.449 58.624 58.100 0.126 0.000 1.281 816 Y CB 0.336 38.854 38.460 0.096 0.000 1.013 816 Y HN 0.303 nan 8.280 nan 0.000 0.554 817 Q N -0.090 119.849 119.800 0.232 0.000 2.319 817 Q HA 0.335 4.689 4.340 0.024 0.000 0.209 817 Q C 0.806 176.960 176.000 0.256 0.000 0.884 817 Q CA 0.208 56.138 55.803 0.211 0.000 0.938 817 Q CB 0.110 28.953 28.738 0.175 0.000 1.098 817 Q HN 0.251 nan 8.270 nan 0.000 0.517 818 A N 2.419 125.409 122.820 0.284 0.000 2.531 818 A HA 0.058 4.392 4.320 0.024 0.000 0.236 818 A C 0.076 177.934 177.584 0.456 0.000 1.062 818 A CA 0.205 52.481 52.037 0.398 0.000 0.760 818 A CB 0.223 19.498 19.000 0.459 0.000 0.995 818 A HN 0.155 nan 8.150 nan 0.000 0.501 819 E N 1.095 121.496 120.200 0.335 0.000 2.166 819 E HA 0.472 4.836 4.350 0.024 0.000 0.275 819 E C -0.357 176.226 176.600 -0.028 0.000 0.941 819 E CA -0.548 55.973 56.400 0.202 0.000 0.784 819 E CB 1.840 31.625 29.700 0.141 0.000 1.115 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.349 125.058 122.820 -0.185 0.000 2.404 820 A HA 0.480 4.815 4.320 0.024 0.000 0.273 820 A C -0.050 177.398 177.584 -0.227 0.000 1.144 820 A CA -0.241 51.407 52.037 -0.648 0.000 0.806 820 A CB 0.234 19.042 19.000 -0.319 0.000 1.080 820 A HN 0.606 nan 8.150 nan 0.000 0.509 821 A N 3.091 125.760 122.820 -0.252 0.000 2.271 821 A HA 0.562 4.897 4.320 0.024 0.000 0.317 821 A C -0.288 177.215 177.584 -0.134 0.000 1.245 821 A CA -0.580 51.388 52.037 -0.115 0.000 0.857 821 A CB 0.353 19.299 19.000 -0.089 0.000 1.175 821 A HN 1.360 nan 8.150 nan 0.000 0.512 822 L N 3.400 124.536 121.223 -0.145 0.000 2.462 822 L HA 0.260 4.615 4.340 0.024 0.000 0.272 822 L C 0.351 177.063 176.870 -0.263 0.000 1.166 822 L CA 0.481 55.103 54.840 -0.362 0.000 0.880 822 L CB 0.172 42.031 42.059 -0.333 0.000 1.142 822 L HN 0.746 nan 8.230 nan 0.000 0.473 823 L N 3.734 124.785 121.223 -0.287 0.000 2.515 823 L HA 0.352 4.706 4.340 0.024 0.000 0.223 823 L C 0.467 177.262 176.870 -0.126 0.000 1.079 823 L CA 0.007 54.759 54.840 -0.146 0.000 0.857 823 L CB -0.021 41.990 42.059 -0.080 0.000 1.050 823 L HN 0.766 nan 8.230 nan 0.000 0.476 824 Q N -0.425 119.272 119.800 -0.172 0.000 2.545 824 Q HA 0.316 4.670 4.340 0.024 0.000 0.273 824 Q C -2.134 173.810 176.000 -0.093 0.000 0.975 824 Q CA -0.537 55.209 55.803 -0.095 0.000 0.876 824 Q CB 2.885 31.596 28.738 -0.046 0.000 1.472 824 Q HN 0.029 nan 8.270 nan 0.000 0.389 825 C N 3.079 122.375 119.300 -0.005 0.000 2.887 825 C HA 0.743 5.217 4.460 0.024 0.000 0.379 825 C C -0.837 174.276 174.990 0.205 0.000 1.064 825 C CA 0.493 59.565 59.018 0.090 0.000 1.282 825 C CB 0.497 28.291 27.740 0.090 0.000 1.749 825 C HN 0.825 nan 8.230 nan 0.000 0.489 826 T N 2.286 116.886 114.554 0.077 0.000 2.907 826 T HA 0.927 5.291 4.350 0.024 0.000 0.290 826 T C -0.500 173.923 174.700 -0.461 0.000 1.066 826 T CA -0.320 61.746 62.100 -0.056 0.000 1.012 826 T CB 1.989 70.816 68.868 -0.068 0.000 1.184 826 T HN 1.716 nan 8.240 nan 0.000 0.522 827 A N 1.191 123.578 122.820 -0.720 0.000 2.398 827 A HA 0.730 5.065 4.320 0.024 0.000 0.301 827 A C -1.406 175.908 177.584 -0.450 0.000 1.041 827 A CA -0.755 50.769 52.037 -0.855 0.000 0.711 827 A CB 1.268 19.371 19.000 -1.495 0.000 1.240 827 A HN 0.838 nan 8.150 nan 0.000 0.420 828 D N 1.220 121.420 120.400 -0.333 0.000 2.780 828 D HA 0.470 5.125 4.640 0.024 0.000 0.242 828 D C -0.747 175.445 176.300 -0.180 0.000 1.135 828 D CA 0.017 53.892 54.000 -0.208 0.000 0.859 828 D CB 2.249 42.961 40.800 -0.147 0.000 1.530 828 D HN 0.517 nan 8.370 nan 0.000 0.493 829 T N 1.479 115.953 114.554 -0.134 0.000 2.767 829 T HA 0.602 4.967 4.350 0.024 0.000 0.288 829 T C 0.145 174.801 174.700 -0.073 0.000 0.963 829 T CA -0.454 61.582 62.100 -0.106 0.000 1.019 829 T CB 0.296 69.109 68.868 -0.093 0.000 0.923 829 T HN 0.235 nan 8.240 nan 0.000 0.468 830 L N 3.790 124.973 121.223 -0.067 0.000 2.578 830 L HA 0.652 5.007 4.340 0.024 0.000 0.259 830 L C 2.239 179.091 176.870 -0.030 0.000 1.082 830 L CA -1.121 53.690 54.840 -0.047 0.000 0.843 830 L CB -0.079 41.950 42.059 -0.049 0.000 1.535 830 L HN 0.750 nan 8.230 nan 0.000 0.510 831 A N 0.614 123.421 122.820 -0.021 0.000 1.851 831 A HA -0.178 4.157 4.320 0.024 0.000 0.216 831 A C 1.216 178.796 177.584 -0.005 0.000 1.195 831 A CA 2.098 54.130 52.037 -0.010 0.000 0.622 831 A CB -0.588 18.408 19.000 -0.006 0.000 0.831 831 A HN 0.897 nan 8.150 nan 0.000 0.444 832 D N -1.912 118.481 120.400 -0.012 0.000 2.538 832 D HA 0.569 5.223 4.640 0.024 0.000 0.231 832 D C 0.000 176.287 176.300 -0.022 0.000 1.229 832 D CA 0.632 54.626 54.000 -0.010 0.000 0.828 832 D CB -0.075 40.716 40.800 -0.015 0.000 1.035 832 D HN 0.517 nan 8.370 nan 0.000 0.495 833 A N -0.679 122.119 122.820 -0.037 0.000 2.586 833 A HA 0.620 4.955 4.320 0.024 0.000 0.290 833 A C -1.740 175.790 177.584 -0.089 0.000 1.086 833 A CA -0.729 51.270 52.037 -0.064 0.000 0.665 833 A CB 1.453 20.413 19.000 -0.068 0.000 1.279 833 A HN 0.007 nan 8.150 nan 0.000 0.423 834 V N 0.563 120.399 119.914 -0.129 0.000 2.555 834 V HA 0.637 4.772 4.120 0.024 0.000 0.302 834 V C -1.015 174.964 176.094 -0.191 0.000 1.038 834 V CA -0.441 61.758 62.300 -0.169 0.000 0.887 834 V CB 1.450 33.155 31.823 -0.196 0.000 0.991 834 V HN 0.816 nan 8.190 nan 0.000 0.434 835 L N 6.306 127.408 121.223 -0.201 0.000 2.316 835 L HA 0.622 4.976 4.340 0.024 0.000 0.280 835 L C -0.795 175.913 176.870 -0.270 0.000 1.006 835 L CA 0.028 54.754 54.840 -0.190 0.000 0.836 835 L CB 1.103 43.083 42.059 -0.132 0.000 1.221 835 L HN 0.408 nan 8.230 nan 0.000 0.418 836 I N 3.884 124.278 120.570 -0.294 0.000 2.377 836 I HA 0.437 4.621 4.170 0.024 0.000 0.293 836 I C -0.086 175.975 176.117 -0.094 0.000 0.987 836 I CA -0.285 60.789 61.300 -0.377 0.000 1.185 836 I CB 1.653 39.192 38.000 -0.768 0.000 1.341 836 I HN 0.526 nan 8.210 nan 0.000 0.455 837 T N 4.489 118.994 114.554 -0.082 0.000 2.812 837 T HA 0.604 4.969 4.350 0.024 0.000 0.282 837 T C 0.168 174.904 174.700 0.060 0.000 0.990 837 T CA -0.593 61.517 62.100 0.015 0.000 0.960 837 T CB 1.694 70.550 68.868 -0.021 0.000 0.948 837 T HN 0.777 nan 8.240 nan 0.000 0.438 838 T N -0.412 114.222 114.554 0.134 0.000 2.906 838 T HA 0.880 5.244 4.350 0.024 0.000 0.295 838 T C -1.137 173.626 174.700 0.106 0.000 1.075 838 T CA -1.082 61.085 62.100 0.111 0.000 1.005 838 T CB 2.059 71.074 68.868 0.244 0.000 1.136 838 T HN 0.801 nan 8.240 nan 0.000 0.498 839 A N 1.557 124.356 122.820 -0.035 0.000 2.459 839 A HA 0.764 5.099 4.320 0.024 0.000 0.296 839 A C -1.445 176.038 177.584 -0.168 0.000 1.039 839 A CA -0.763 51.293 52.037 0.032 0.000 0.698 839 A CB 0.913 19.937 19.000 0.040 0.000 1.261 839 A HN 1.007 nan 8.150 nan 0.000 0.405 840 H N -0.018 119.101 119.070 0.081 0.000 2.865 840 H HA 0.817 5.388 4.556 0.024 0.000 0.372 840 H C -0.124 175.185 175.328 -0.032 0.000 1.173 840 H CA 0.239 56.237 56.048 -0.084 0.000 1.147 840 H CB 2.172 31.782 29.762 -0.253 0.000 1.805 840 H HN 1.019 nan 8.280 nan 0.000 0.553 841 A N 1.392 124.174 122.820 -0.063 0.000 2.356 841 A HA 0.402 4.736 4.320 0.024 0.000 0.310 841 A C -1.417 176.082 177.584 -0.142 0.000 1.075 841 A CA -0.702 51.365 52.037 0.050 0.000 0.746 841 A CB 1.077 20.097 19.000 0.033 0.000 1.221 841 A HN 0.529 nan 8.150 nan 0.000 0.443 842 W N 2.110 123.517 121.300 0.177 0.000 2.361 842 W HA 0.438 5.113 4.660 0.024 0.000 0.309 842 W C -0.166 176.374 176.519 0.035 0.000 1.122 842 W CA 0.003 57.449 57.345 0.167 0.000 1.208 842 W CB 1.558 31.173 29.460 0.258 0.000 1.246 842 W HN 0.751 nan 8.180 nan 0.000 0.490 843 Q N 1.305 121.219 119.800 0.190 0.000 2.484 843 Q HA 0.389 4.744 4.340 0.024 0.000 0.285 843 Q C -0.996 175.138 176.000 0.224 0.000 1.097 843 Q CA -0.880 55.006 55.803 0.138 0.000 0.802 843 Q CB 3.675 32.456 28.738 0.071 0.000 1.444 843 Q HN 0.418 nan 8.270 nan 0.000 0.429 844 H N 1.545 120.647 119.070 0.052 0.000 3.018 844 H HA 0.087 4.657 4.556 0.024 0.000 0.334 844 H C -0.936 174.424 175.328 0.053 0.000 0.983 844 H CA -0.157 55.935 56.048 0.074 0.000 1.363 844 H CB 0.967 30.786 29.762 0.095 0.000 1.668 844 H HN 0.745 nan 8.280 nan 0.000 0.513 845 Q N 3.509 123.065 119.800 -0.407 0.000 2.453 845 Q HA -0.232 4.122 4.340 0.024 0.000 0.330 845 Q C 0.969 176.897 176.000 -0.120 0.000 1.417 845 Q CA 1.050 56.666 55.803 -0.311 0.000 0.902 845 Q CB -1.687 26.776 28.738 -0.458 0.000 1.154 845 Q HN 1.199 nan 8.270 nan 0.000 0.395 846 G N -0.014 108.750 108.800 -0.059 0.000 2.347 846 G HA2 -0.405 3.570 3.960 0.024 0.000 0.247 846 G HA3 -0.405 3.570 3.960 0.024 0.000 0.247 846 G C 0.177 175.075 174.900 -0.003 0.000 1.037 846 G CA 0.895 45.980 45.100 -0.024 0.000 0.622 846 G HN 0.510 nan 8.290 nan 0.000 0.521 847 K N 1.179 121.584 120.400 0.009 0.000 2.130 847 K HA 0.614 4.949 4.320 0.024 0.000 0.268 847 K C -0.360 176.252 176.600 0.020 0.000 0.983 847 K CA -0.072 56.227 56.287 0.020 0.000 0.893 847 K CB 0.952 33.472 32.500 0.033 0.000 1.066 847 K HN 0.001 nan 8.250 nan 0.000 0.450 848 T N 5.355 119.910 114.554 0.002 0.000 2.728 848 T HA 0.215 4.580 4.350 0.024 0.000 0.296 848 T C 1.102 175.741 174.700 -0.100 0.000 0.940 848 T CA -0.465 61.629 62.100 -0.010 0.000 1.013 848 T CB 0.469 69.346 68.868 0.016 0.000 0.912 848 T HN 0.554 nan 8.240 nan 0.000 0.484 849 L N 2.655 123.724 121.223 -0.258 0.000 2.102 849 L HA 0.312 4.667 4.340 0.024 0.000 0.202 849 L C -0.029 176.308 176.870 -0.889 0.000 1.076 849 L CA 0.975 55.381 54.840 -0.724 0.000 0.761 849 L CB -0.013 41.194 42.059 -1.421 0.000 0.921 849 L HN 0.522 nan 8.230 nan 0.000 0.444 850 F N -1.131 118.774 119.950 -0.075 0.000 2.588 850 F HA 0.587 5.129 4.527 0.024 0.000 0.310 850 F C -0.492 175.420 175.800 0.187 0.000 1.082 850 F CA -0.819 57.074 58.000 -0.178 0.000 0.929 850 F CB 1.955 40.373 39.000 -0.969 0.000 1.254 850 F HN -0.318 nan 8.300 nan 0.000 0.455 851 I N 1.423 122.220 120.570 0.379 0.000 2.498 851 I HA 0.384 4.569 4.170 0.024 0.000 0.290 851 I C -0.800 175.603 176.117 0.477 0.000 1.032 851 I CA -0.515 61.038 61.300 0.423 0.000 1.073 851 I CB 2.252 40.403 38.000 0.252 0.000 1.251 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.436 122.523 115.700 0.645 0.000 2.498 852 S HA 0.581 5.066 4.470 0.024 0.000 0.317 852 S C -0.738 174.119 174.600 0.428 0.000 1.090 852 S CA -0.669 57.881 58.200 0.583 0.000 1.089 852 S CB 0.647 64.346 63.200 0.832 0.000 0.997 852 S HN 0.527 nan 8.310 nan 0.000 0.470 853 R N 3.650 124.321 120.500 0.285 0.000 2.393 853 R HA 0.540 4.895 4.340 0.024 0.000 0.315 853 R C -0.763 175.617 176.300 0.132 0.000 0.952 853 R CA -0.739 55.479 56.100 0.196 0.000 0.842 853 R CB 1.795 32.181 30.300 0.145 0.000 1.163 853 R HN 0.550 nan 8.270 nan 0.000 0.450 854 K N 0.726 121.196 120.400 0.117 0.000 2.433 854 K HA 0.514 4.849 4.320 0.024 0.000 0.252 854 K C -0.686 175.894 176.600 -0.033 0.000 1.015 854 K CA -0.981 55.294 56.287 -0.019 0.000 0.860 854 K CB 2.421 34.855 32.500 -0.112 0.000 1.359 854 K HN 0.585 nan 8.250 nan 0.000 0.452 855 T N -1.436 113.012 114.554 -0.177 0.000 2.916 855 T HA 0.546 4.910 4.350 0.024 0.000 0.298 855 T C -1.427 173.116 174.700 -0.262 0.000 1.031 855 T CA -0.732 61.301 62.100 -0.111 0.000 0.993 855 T CB 0.479 69.316 68.868 -0.051 0.000 1.045 855 T HN 0.435 nan 8.240 nan 0.000 0.454 856 Y N 0.994 121.254 120.300 -0.067 0.000 2.326 856 Y HA 0.616 5.180 4.550 0.024 0.000 0.329 856 Y C 0.391 176.209 175.900 -0.138 0.000 0.973 856 Y CA -1.057 57.014 58.100 -0.049 0.000 1.162 856 Y CB 1.922 40.358 38.460 -0.040 0.000 1.147 856 Y HN 0.675 nan 8.280 nan 0.000 0.456 857 R N 4.129 124.643 120.500 0.024 0.000 2.310 857 R HA 0.665 5.020 4.340 0.024 0.000 0.324 857 R C -1.498 174.742 176.300 -0.100 0.000 0.955 857 R CA -0.341 55.726 56.100 -0.054 0.000 0.830 857 R CB 0.562 30.840 30.300 -0.037 0.000 1.154 857 R HN 0.749 nan 8.270 nan 0.000 0.458 858 I N 4.886 125.338 120.570 -0.196 0.000 2.362 858 I HA 0.231 4.416 4.170 0.024 0.000 0.289 858 I C -0.331 175.666 176.117 -0.200 0.000 0.994 858 I CA -0.748 60.365 61.300 -0.312 0.000 1.158 858 I CB 1.573 39.193 38.000 -0.634 0.000 1.315 858 I HN 0.708 nan 8.210 nan 0.000 0.451 859 D N 4.182 124.507 120.400 -0.124 0.000 2.569 859 D HA 0.280 4.934 4.640 0.024 0.000 0.266 859 D C 1.180 177.473 176.300 -0.011 0.000 1.164 859 D CA -0.715 53.252 54.000 -0.054 0.000 1.071 859 D CB 0.803 41.588 40.800 -0.025 0.000 1.183 859 D HN 0.470 nan 8.370 nan 0.000 0.613 860 G N -1.220 107.584 108.800 0.007 0.000 2.509 860 G HA2 -0.166 3.809 3.960 0.024 0.000 0.218 860 G HA3 -0.166 3.809 3.960 0.024 0.000 0.218 860 G C 1.216 176.147 174.900 0.052 0.000 1.124 860 G CA 0.977 46.099 45.100 0.036 0.000 0.776 860 G HN 0.558 nan 8.290 nan 0.000 0.547 861 S N -0.410 115.315 115.700 0.041 0.000 2.607 861 S HA 0.323 4.808 4.470 0.024 0.000 0.224 861 S C 2.012 176.671 174.600 0.098 0.000 0.969 861 S CA 0.978 59.212 58.200 0.056 0.000 0.927 861 S CB -0.272 62.952 63.200 0.041 0.000 0.772 861 S HN 1.432 nan 8.310 nan 0.000 0.533 862 G N 0.372 109.255 108.800 0.139 0.000 2.189 862 G HA2 -0.300 3.674 3.960 0.024 0.000 0.267 862 G HA3 -0.300 3.674 3.960 0.024 0.000 0.267 862 G C -0.097 174.955 174.900 0.254 0.000 0.975 862 G CA 0.497 45.752 45.100 0.259 0.000 0.644 862 G HN 0.648 nan 8.290 nan 0.000 0.537 863 Q N -0.409 119.475 119.800 0.141 0.000 2.293 863 Q HA 0.636 4.991 4.340 0.024 0.000 0.251 863 Q C 0.372 176.417 176.000 0.074 0.000 0.930 863 Q CA -0.054 55.833 55.803 0.140 0.000 0.893 863 Q CB 1.297 30.101 28.738 0.110 0.000 1.215 863 Q HN 0.473 nan 8.270 nan 0.000 0.425 864 M N 2.063 121.738 119.600 0.124 0.000 2.114 864 M HA 0.552 5.047 4.480 0.024 0.000 0.332 864 M C -1.438 174.958 176.300 0.162 0.000 1.014 864 M CA -0.520 54.813 55.300 0.054 0.000 0.956 864 M CB 0.939 33.584 32.600 0.075 0.000 1.551 864 M HN 0.699 nan 8.290 nan 0.000 0.427 865 A N 7.068 129.947 122.820 0.100 0.000 2.274 865 A HA 0.737 5.071 4.320 0.024 0.000 0.309 865 A C -0.787 176.839 177.584 0.069 0.000 1.226 865 A CA -0.683 51.416 52.037 0.104 0.000 0.853 865 A CB 0.337 19.379 19.000 0.071 0.000 1.146 865 A HN 0.915 nan 8.150 nan 0.000 0.518 866 I N 1.553 122.154 120.570 0.050 0.000 2.474 866 I HA 0.410 4.594 4.170 0.024 0.000 0.294 866 I C 0.008 176.031 176.117 -0.156 0.000 1.005 866 I CA -0.385 60.849 61.300 -0.110 0.000 1.113 866 I CB 2.225 40.180 38.000 -0.076 0.000 1.289 866 I HN 0.490 nan 8.210 nan 0.000 0.436 867 T N 5.321 119.734 114.554 -0.234 0.000 2.807 867 T HA 0.620 4.984 4.350 0.024 0.000 0.279 867 T C -0.681 173.822 174.700 -0.328 0.000 0.993 867 T CA -0.350 61.618 62.100 -0.221 0.000 0.970 867 T CB 1.602 70.437 68.868 -0.055 0.000 0.950 867 T HN 0.293 nan 8.240 nan 0.000 0.441 868 V N 4.569 124.167 119.914 -0.526 0.000 2.577 868 V HA 0.531 4.665 4.120 0.024 0.000 0.303 868 V C -0.844 175.106 176.094 -0.240 0.000 1.042 868 V CA -0.950 61.070 62.300 -0.467 0.000 0.872 868 V CB 2.128 33.423 31.823 -0.879 0.000 0.998 868 V HN 0.831 nan 8.190 nan 0.000 0.423 869 D N 3.311 123.728 120.400 0.029 0.000 2.549 869 D HA 0.561 5.215 4.640 0.024 0.000 0.251 869 D C -1.058 175.376 176.300 0.222 0.000 1.153 869 D CA -0.084 54.027 54.000 0.185 0.000 0.861 869 D CB 2.779 43.700 40.800 0.202 0.000 1.207 869 D HN 0.270 nan 8.370 nan 0.000 0.543 870 V N 2.161 122.245 119.914 0.283 0.000 2.769 870 V HA 0.323 4.457 4.120 0.024 0.000 0.312 870 V C 0.004 176.255 176.094 0.261 0.000 1.061 870 V CA -0.742 61.739 62.300 0.302 0.000 0.931 870 V CB 2.689 34.732 31.823 0.367 0.000 1.010 870 V HN 0.359 nan 8.190 nan 0.000 0.433 871 E N 2.023 122.361 120.200 0.230 0.000 2.183 871 E HA 0.646 5.010 4.350 0.024 0.000 0.271 871 E C -1.587 175.134 176.600 0.200 0.000 0.919 871 E CA -0.548 55.962 56.400 0.183 0.000 0.781 871 E CB 2.518 32.307 29.700 0.149 0.000 1.140 871 E HN 0.395 nan 8.360 nan 0.000 0.402 872 V N 2.100 122.133 119.914 0.198 0.000 2.483 872 V HA 0.348 4.483 4.120 0.024 0.000 0.297 872 V C -0.020 176.164 176.094 0.150 0.000 1.027 872 V CA -0.957 61.479 62.300 0.226 0.000 0.855 872 V CB 1.552 33.555 31.823 0.300 0.000 0.995 872 V HN 0.836 nan 8.190 nan 0.000 0.424 873 A N 3.463 126.329 122.820 0.076 0.000 2.548 873 A HA 0.267 4.601 4.320 0.024 0.000 0.247 873 A C 1.652 179.303 177.584 0.111 0.000 1.067 873 A CA 0.654 52.726 52.037 0.058 0.000 0.757 873 A CB 0.219 19.217 19.000 -0.003 0.000 0.996 873 A HN 1.405 nan 8.150 nan 0.000 0.504 874 S N 1.504 117.266 115.700 0.105 0.000 2.419 874 S HA -0.176 4.308 4.470 0.024 0.000 0.235 874 S C 0.946 175.625 174.600 0.132 0.000 1.019 874 S CA 1.411 59.691 58.200 0.133 0.000 0.982 874 S CB -0.299 62.958 63.200 0.095 0.000 0.789 874 S HN 0.831 nan 8.310 nan 0.000 0.490 875 D N 0.228 120.681 120.400 0.089 0.000 2.328 875 D HA 0.134 4.789 4.640 0.024 0.000 0.221 875 D C 0.510 176.849 176.300 0.064 0.000 1.072 875 D CA 0.055 54.092 54.000 0.061 0.000 0.850 875 D CB -0.331 40.492 40.800 0.038 0.000 0.922 875 D HN 0.328 nan 8.370 nan 0.000 0.516 876 T N 1.028 115.648 114.554 0.109 0.000 2.929 876 T HA 0.436 4.801 4.350 0.024 0.000 0.284 876 T C -2.666 172.147 174.700 0.188 0.000 1.014 876 T CA -2.040 60.150 62.100 0.150 0.000 1.051 876 T CB 1.309 70.290 68.868 0.189 0.000 1.028 876 T HN -0.196 nan 8.240 nan 0.000 0.485 877 P HA 0.098 nan 4.420 nan 0.000 0.265 877 P C -0.627 176.971 177.300 0.497 0.000 1.193 877 P CA 0.116 63.312 63.100 0.161 0.000 0.765 877 P CB -0.118 31.660 31.700 0.131 0.000 0.823 878 H N 3.739 123.177 119.070 0.613 0.000 3.094 878 H HA 0.048 4.618 4.556 0.024 0.000 0.320 878 H C -1.592 174.085 175.328 0.582 0.000 1.000 878 H CA -1.225 55.127 56.048 0.505 0.000 1.413 878 H CB -0.470 29.529 29.762 0.395 0.000 1.405 878 H HN 0.387 nan 8.280 nan 0.000 0.586 879 P HA 0.032 nan 4.420 nan 0.000 0.276 879 P C 0.117 177.313 177.300 -0.174 0.000 1.244 879 P CA -0.367 62.802 63.100 0.114 0.000 0.801 879 P CB 1.148 32.761 31.700 -0.145 0.000 1.006 880 A N 2.725 125.158 122.820 -0.646 0.000 2.015 880 A HA -0.083 4.251 4.320 0.024 0.000 0.219 880 A C 1.019 178.211 177.584 -0.653 0.000 1.163 880 A CA 1.233 52.871 52.037 -0.666 0.000 0.646 880 A CB -0.539 17.834 19.000 -1.045 0.000 0.806 880 A HN 0.738 nan 8.150 nan 0.000 0.448 881 R N -2.668 117.476 120.500 -0.592 0.000 2.712 881 R HA 0.713 5.067 4.340 0.024 0.000 0.272 881 R C -1.677 174.362 176.300 -0.435 0.000 1.032 881 R CA -0.800 54.969 56.100 -0.551 0.000 0.874 881 R CB 0.792 30.714 30.300 -0.631 0.000 1.256 881 R HN -0.013 nan 8.270 nan 0.000 0.468 882 I N 1.340 121.695 120.570 -0.358 0.000 2.521 882 I HA 0.644 4.829 4.170 0.024 0.000 0.277 882 I C -0.351 175.524 176.117 -0.403 0.000 1.054 882 I CA -0.366 60.753 61.300 -0.302 0.000 1.117 882 I CB 1.756 39.651 38.000 -0.174 0.000 1.217 882 I HN 0.965 nan 8.210 nan 0.000 0.469 883 G N 5.710 114.222 108.800 -0.481 0.000 2.650 883 G HA2 0.740 4.714 3.960 0.024 0.000 0.310 883 G HA3 0.740 4.714 3.960 0.024 0.000 0.310 883 G C -1.668 173.048 174.900 -0.307 0.000 1.270 883 G CA -0.585 44.269 45.100 -0.410 0.000 0.810 883 G HN 0.247 nan 8.290 nan 0.000 0.493 884 L N 0.929 122.026 121.223 -0.209 0.000 2.323 884 L HA 0.641 4.995 4.340 0.024 0.000 0.265 884 L C -0.744 176.011 176.870 -0.191 0.000 1.012 884 L CA -1.160 53.583 54.840 -0.163 0.000 0.820 884 L CB 2.465 44.504 42.059 -0.033 0.000 1.334 884 L HN 0.817 nan 8.230 nan 0.000 0.427 885 N N 0.469 119.082 118.700 -0.144 0.000 2.610 885 N HA 0.709 5.464 4.740 0.024 0.000 0.264 885 N C -1.216 174.285 175.510 -0.015 0.000 1.348 885 N CA -0.605 52.393 53.050 -0.086 0.000 0.819 885 N CB 2.237 40.700 38.487 -0.040 0.000 1.521 885 N HN 0.820 nan 8.380 nan 0.000 0.497 886 C N -2.189 117.123 119.300 0.020 0.000 3.292 886 C HA 0.555 5.029 4.460 0.024 0.000 0.338 886 C C -1.146 173.694 174.990 -0.249 0.000 1.323 886 C CA -0.880 58.110 59.018 -0.046 0.000 1.232 886 C CB 1.041 28.772 27.740 -0.016 0.000 1.517 886 C HN 0.847 nan 8.230 nan 0.000 0.470 887 Q N 1.294 120.738 119.800 -0.594 0.000 2.368 887 Q HA 0.643 4.997 4.340 0.024 0.000 0.256 887 Q C -0.977 174.742 176.000 -0.469 0.000 0.980 887 Q CA -0.373 54.836 55.803 -0.990 0.000 0.887 887 Q CB 0.805 28.597 28.738 -1.576 0.000 1.221 887 Q HN 0.745 nan 8.270 nan 0.000 0.458 888 L N 2.219 123.262 121.223 -0.300 0.000 2.417 888 L HA 0.274 4.628 4.340 0.024 0.000 0.268 888 L C 1.086 177.902 176.870 -0.090 0.000 1.158 888 L CA -0.164 54.624 54.840 -0.086 0.000 0.819 888 L CB 0.884 42.992 42.059 0.082 0.000 1.112 888 L HN 0.785 nan 8.230 nan 0.000 0.458 889 A N 1.970 124.769 122.820 -0.034 0.000 2.021 889 A HA -0.022 4.312 4.320 0.024 0.000 0.216 889 A C 0.849 178.425 177.584 -0.013 0.000 1.163 889 A CA 0.434 52.437 52.037 -0.057 0.000 0.676 889 A CB -0.208 18.746 19.000 -0.076 0.000 0.818 889 A HN 0.826 nan 8.150 nan 0.000 0.453 890 Q N -0.944 118.884 119.800 0.046 0.000 2.180 890 Q HA 0.624 4.979 4.340 0.024 0.000 0.241 890 Q C -1.184 174.852 176.000 0.060 0.000 0.970 890 Q CA -0.751 55.060 55.803 0.014 0.000 0.919 890 Q CB 1.492 30.211 28.738 -0.031 0.000 1.222 890 Q HN -0.000 nan 8.270 nan 0.000 0.482 891 V N 1.011 120.927 119.914 0.004 0.000 2.409 891 V HA 0.748 4.882 4.120 0.024 0.000 0.291 891 V C -0.520 175.532 176.094 -0.070 0.000 1.020 891 V CA -0.383 61.953 62.300 0.060 0.000 0.848 891 V CB 0.766 32.608 31.823 0.031 0.000 0.990 891 V HN 0.908 nan 8.190 nan 0.000 0.430 892 A N 3.292 126.002 122.820 -0.184 0.000 2.313 892 A HA 0.834 5.169 4.320 0.024 0.000 0.323 892 A C 0.664 178.249 177.584 0.000 0.000 1.133 892 A CA -0.393 51.480 52.037 -0.274 0.000 0.847 892 A CB 1.258 19.858 19.000 -0.666 0.000 1.308 892 A HN 0.651 nan 8.150 nan 0.000 0.475 893 E N 0.339 120.539 120.200 0.001 0.000 2.076 893 E HA 0.010 4.375 4.350 0.024 0.000 0.190 893 E C 0.367 177.039 176.600 0.120 0.000 0.979 893 E CA 1.095 57.530 56.400 0.058 0.000 0.807 893 E CB 0.068 29.784 29.700 0.027 0.000 0.761 893 E HN 0.521 nan 8.360 nan 0.000 0.454 894 R N -0.405 120.176 120.500 0.135 0.000 2.873 894 R HA 0.599 4.953 4.340 0.024 0.000 0.264 894 R C -0.602 175.884 176.300 0.310 0.000 1.026 894 R CA -0.941 55.274 56.100 0.191 0.000 1.002 894 R CB 1.655 32.038 30.300 0.138 0.000 1.174 894 R HN -0.205 nan 8.270 nan 0.000 0.488 895 V N 1.658 121.769 119.914 0.327 0.000 2.577 895 V HA 0.344 4.479 4.120 0.024 0.000 0.303 895 V C -0.430 175.942 176.094 0.463 0.000 1.042 895 V CA -0.901 61.632 62.300 0.389 0.000 0.872 895 V CB 2.004 34.008 31.823 0.300 0.000 0.998 895 V HN 0.672 nan 8.190 nan 0.000 0.423 896 N N 4.476 123.424 118.700 0.413 0.000 2.346 896 N HA 0.517 5.271 4.740 0.024 0.000 0.289 896 N C -1.432 174.326 175.510 0.413 0.000 1.027 896 N CA -0.413 52.841 53.050 0.339 0.000 0.864 896 N CB 2.519 41.101 38.487 0.159 0.000 1.370 896 N HN 0.803 nan 8.380 nan 0.000 0.481 897 W N 3.306 124.647 121.300 0.067 0.000 3.083 897 W HA 0.595 5.269 4.660 0.024 0.000 0.333 897 W C -1.977 174.508 176.519 -0.056 0.000 1.217 897 W CA -1.135 56.226 57.345 0.027 0.000 1.170 897 W CB 0.732 30.242 29.460 0.084 0.000 1.437 897 W HN 0.212 nan 8.180 nan 0.000 0.557 898 L N 4.169 125.352 121.223 -0.067 0.000 2.277 898 L HA 0.913 5.268 4.340 0.024 0.000 0.284 898 L C 0.016 176.720 176.870 -0.278 0.000 1.028 898 L CA 0.334 54.944 54.840 -0.385 0.000 0.835 898 L CB 0.607 42.519 42.059 -0.245 0.000 1.215 898 L HN 1.000 nan 8.230 nan 0.000 0.425 899 G N 3.758 112.265 108.800 -0.488 0.000 2.335 899 G HA2 0.195 4.169 3.960 0.024 0.000 0.291 899 G HA3 0.195 4.169 3.960 0.024 0.000 0.291 899 G C -1.642 173.369 174.900 0.186 0.000 1.261 899 G CA -1.064 44.048 45.100 0.019 0.000 0.871 899 G HN 0.444 nan 8.290 nan 0.000 0.491 900 L N 1.124 122.560 121.223 0.356 0.000 2.367 900 L HA 0.597 4.952 4.340 0.024 0.000 0.275 900 L C 1.065 178.054 176.870 0.199 0.000 1.129 900 L CA 0.745 55.730 54.840 0.241 0.000 0.839 900 L CB 0.528 42.655 42.059 0.114 0.000 1.133 900 L HN 1.161 nan 8.230 nan 0.000 0.453 901 G N 3.108 111.781 108.800 -0.213 0.000 2.427 901 G HA2 0.293 4.268 3.960 0.024 0.000 0.306 901 G HA3 0.293 4.268 3.960 0.024 0.000 0.306 901 G C -2.774 171.253 174.900 -1.456 0.000 1.280 901 G CA -0.294 44.292 45.100 -0.857 0.000 0.837 901 G HN 0.309 nan 8.290 nan 0.000 0.482 902 P HA 0.102 nan 4.420 nan 0.000 0.239 902 P C 0.349 177.444 177.300 -0.341 0.000 1.188 902 P CA 0.502 62.901 63.100 -1.169 0.000 0.794 902 P CB 0.526 31.691 31.700 -0.891 0.000 0.937 903 Q N 0.547 120.152 119.800 -0.326 0.000 2.318 903 Q HA 0.172 4.526 4.340 0.024 0.000 0.222 903 Q C 0.343 176.235 176.000 -0.179 0.000 1.003 903 Q CA -0.693 55.000 55.803 -0.184 0.000 0.936 903 Q CB 0.726 29.375 28.738 -0.147 0.000 1.204 903 Q HN 0.122 nan 8.270 nan 0.000 0.524 904 E N 1.322 121.423 120.200 -0.165 0.000 2.608 904 E HA -0.120 4.244 4.350 0.024 0.000 0.259 904 E C -1.126 175.378 176.600 -0.161 0.000 0.951 904 E CA 0.306 56.588 56.400 -0.197 0.000 0.945 904 E CB 0.222 29.881 29.700 -0.067 0.000 0.916 904 E HN 0.601 nan 8.360 nan 0.000 0.477 905 N N 2.784 121.303 118.700 -0.302 0.000 2.308 905 N HA 0.305 5.060 4.740 0.024 0.000 0.283 905 N C -1.860 173.379 175.510 -0.451 0.000 1.105 905 N CA -0.673 52.246 53.050 -0.219 0.000 0.840 905 N CB 0.730 39.121 38.487 -0.160 0.000 1.633 905 N HN 0.233 nan 8.380 nan 0.000 0.476 906 Y N 0.314 120.504 120.300 -0.182 0.000 2.630 906 Y HA 0.508 5.072 4.550 0.024 0.000 0.337 906 Y C -1.606 174.187 175.900 -0.178 0.000 1.051 906 Y CA -2.091 55.881 58.100 -0.214 0.000 1.121 906 Y CB 1.892 40.222 38.460 -0.218 0.000 1.299 906 Y HN 0.445 nan 8.280 nan 0.000 0.498 907 P HA -0.168 nan 4.420 nan 0.000 0.216 907 P C 0.436 177.515 177.300 -0.368 0.000 1.150 907 P CA 2.094 65.169 63.100 -0.043 0.000 0.843 907 P CB 0.217 32.014 31.700 0.162 0.000 0.787 908 D N -2.307 117.676 120.400 -0.695 0.000 2.340 908 D HA -0.006 4.649 4.640 0.024 0.000 0.217 908 D C 0.759 176.890 176.300 -0.281 0.000 1.081 908 D CA 0.131 53.566 54.000 -0.942 0.000 0.842 908 D CB -0.219 39.830 40.800 -1.251 0.000 0.934 908 D HN 0.113 nan 8.370 nan 0.000 0.511 909 R N 1.023 121.448 120.500 -0.125 0.000 2.655 909 R HA 0.213 4.568 4.340 0.024 0.000 0.261 909 R C -0.582 175.730 176.300 0.021 0.000 1.624 909 R CA -0.186 55.912 56.100 -0.002 0.000 1.655 909 R CB 0.056 30.366 30.300 0.016 0.000 1.356 909 R HN 0.097 nan 8.270 nan 0.000 0.684 910 L N -1.618 119.623 121.223 0.030 0.000 3.386 910 L HA 0.335 4.690 4.340 0.024 0.000 0.307 910 L C 1.321 178.230 176.870 0.066 0.000 1.235 910 L CA 0.089 54.946 54.840 0.028 0.000 1.056 910 L CB 0.155 42.217 42.059 0.005 0.000 1.453 910 L HN 0.097 nan 8.230 nan 0.000 0.615 911 T N -2.587 112.033 114.554 0.110 0.000 2.867 911 T HA 0.004 4.369 4.350 0.024 0.000 0.268 911 T C 1.808 176.528 174.700 0.032 0.000 1.057 911 T CA 1.330 63.515 62.100 0.142 0.000 1.136 911 T CB -0.330 68.683 68.868 0.242 0.000 0.874 911 T HN 0.382 nan 8.240 nan 0.000 0.466 912 A N 1.808 124.662 122.820 0.057 0.000 2.014 912 A HA 0.618 4.953 4.320 0.024 0.000 0.218 912 A C 1.686 179.340 177.584 0.116 0.000 1.163 912 A CA 0.594 52.629 52.037 -0.003 0.000 0.652 912 A CB -1.037 18.111 19.000 0.247 0.000 0.808 912 A HN 0.854 nan 8.150 nan 0.000 0.449 913 A N -0.946 121.893 122.820 0.031 0.000 2.462 913 A HA 0.415 4.750 4.320 0.024 0.000 0.243 913 A C 0.061 177.660 177.584 0.026 0.000 1.076 913 A CA 0.011 52.029 52.037 -0.031 0.000 0.773 913 A CB -0.264 18.700 19.000 -0.060 0.000 1.010 913 A HN 0.490 nan 8.150 nan 0.000 0.493 914 C N 1.280 120.598 119.300 0.030 0.000 2.493 914 C HA 0.552 5.026 4.460 0.024 0.000 0.326 914 C C -0.073 175.038 174.990 0.202 0.000 1.200 914 C CA -0.477 58.616 59.018 0.125 0.000 1.739 914 C CB 0.759 28.599 27.740 0.167 0.000 2.300 914 C HN 0.793 nan 8.230 nan 0.000 0.500 915 F N 3.760 123.561 119.950 -0.249 0.000 2.445 915 F HA 0.497 5.038 4.527 0.024 0.000 0.359 915 F C 0.357 175.859 175.800 -0.497 0.000 1.101 915 F CA 1.101 58.826 58.000 -0.459 0.000 1.177 915 F CB 0.002 38.211 39.000 -1.319 0.000 1.110 915 F HN 0.627 nan 8.300 nan 0.000 0.522 916 D N 3.112 122.927 120.400 -0.975 0.000 2.879 916 D HA 0.167 4.822 4.640 0.024 0.000 0.346 916 D C -1.670 173.737 176.300 -1.489 0.000 1.390 916 D CA -0.719 52.580 54.000 -1.167 0.000 0.838 916 D CB 1.379 41.465 40.800 -1.191 0.000 1.416 916 D HN 0.477 nan 8.370 nan 0.000 0.493 917 R N 0.652 120.375 120.500 -1.295 0.000 2.207 917 R HA 0.539 4.893 4.340 0.024 0.000 0.334 917 R C -1.370 174.158 176.300 -1.286 0.000 1.013 917 R CA -0.199 55.271 56.100 -1.051 0.000 0.858 917 R CB 0.274 30.214 30.300 -0.601 0.000 1.094 917 R HN 0.287 nan 8.270 nan 0.000 0.457 918 W N 2.560 123.365 121.300 -0.825 0.000 2.706 918 W HA 0.432 5.106 4.660 0.024 0.000 0.346 918 W C -0.520 175.619 176.519 -0.633 0.000 1.071 918 W CA -0.661 56.138 57.345 -0.910 0.000 1.206 918 W CB 1.730 30.150 29.460 -1.734 0.000 1.413 918 W HN 0.396 nan 8.180 nan 0.000 0.542 919 D N 2.500 122.850 120.400 -0.083 0.000 2.613 919 D HA 0.417 5.071 4.640 0.024 0.000 0.230 919 D C -1.506 174.893 176.300 0.164 0.000 1.365 919 D CA -0.101 53.946 54.000 0.078 0.000 0.976 919 D CB 0.896 41.705 40.800 0.014 0.000 1.415 919 D HN 0.385 nan 8.370 nan 0.000 0.589 920 L N 2.696 124.092 121.223 0.289 0.000 2.341 920 L HA 0.589 4.943 4.340 0.024 0.000 0.254 920 L C -2.315 174.678 176.870 0.204 0.000 1.040 920 L CA -2.244 52.736 54.840 0.232 0.000 0.837 920 L CB 2.658 44.901 42.059 0.307 0.000 1.425 920 L HN 0.175 nan 8.230 nan 0.000 0.414 921 P HA 0.044 nan 4.420 nan 0.000 0.271 921 P C 0.517 177.900 177.300 0.138 0.000 1.218 921 P CA -0.348 62.828 63.100 0.126 0.000 0.780 921 P CB 0.832 32.585 31.700 0.088 0.000 0.901 922 L N 3.373 124.681 121.223 0.142 0.000 2.043 922 L HA -0.263 4.092 4.340 0.024 0.000 0.212 922 L C 2.174 179.100 176.870 0.093 0.000 1.075 922 L CA 2.744 57.661 54.840 0.128 0.000 0.752 922 L CB -1.533 40.614 42.059 0.147 0.000 0.891 922 L HN 0.442 nan 8.230 nan 0.000 0.432 923 S N -1.765 113.991 115.700 0.092 0.000 2.419 923 S HA -0.172 4.313 4.470 0.024 0.000 0.233 923 S C 1.556 176.227 174.600 0.118 0.000 1.016 923 S CA 1.135 59.402 58.200 0.111 0.000 0.974 923 S CB -0.783 62.474 63.200 0.095 0.000 0.786 923 S HN 0.531 nan 8.310 nan 0.000 0.492 924 D N 1.007 121.458 120.400 0.085 0.000 2.378 924 D HA 0.119 4.774 4.640 0.024 0.000 0.227 924 D C 1.176 177.490 176.300 0.023 0.000 1.012 924 D CA 0.519 54.550 54.000 0.052 0.000 0.905 924 D CB -0.109 40.728 40.800 0.062 0.000 0.895 924 D HN 0.374 nan 8.370 nan 0.000 0.532 925 M N -0.581 119.042 119.600 0.038 0.000 2.495 925 M HA 0.065 4.559 4.480 0.024 0.000 0.237 925 M C 0.001 176.314 176.300 0.022 0.000 1.131 925 M CA -0.031 55.248 55.300 -0.036 0.000 1.032 925 M CB -0.674 31.895 32.600 -0.053 0.000 1.513 925 M HN -0.041 nan 8.290 nan 0.000 0.488 926 Y N 0.168 120.439 120.300 -0.048 0.000 2.364 926 Y HA 0.491 5.055 4.550 0.024 0.000 0.340 926 Y C -0.714 175.159 175.900 -0.045 0.000 0.975 926 Y CA -0.897 57.197 58.100 -0.009 0.000 1.089 926 Y CB 1.262 39.775 38.460 0.089 0.000 1.192 926 Y HN -0.143 nan 8.280 nan 0.000 0.454 927 T N 9.130 123.294 114.554 -0.650 0.000 2.743 927 T HA 0.284 4.648 4.350 0.024 0.000 0.292 927 T C -2.682 171.358 174.700 -1.099 0.000 0.972 927 T CA -1.455 60.203 62.100 -0.736 0.000 0.967 927 T CB 1.029 69.505 68.868 -0.653 0.000 0.926 927 T HN 0.466 nan 8.240 nan 0.000 0.459 928 P HA 0.152 nan 4.420 nan 0.000 0.220 928 P C -0.675 176.564 177.300 -0.101 0.000 1.806 928 P CA -0.493 62.225 63.100 -0.638 0.000 0.976 928 P CB -0.623 30.832 31.700 -0.408 0.000 1.952 929 Y N -0.137 120.222 120.300 0.100 0.000 2.712 929 Y HA -0.106 4.458 4.550 0.024 0.000 0.333 929 Y C 2.289 178.313 175.900 0.207 0.000 1.225 929 Y CA -0.426 57.810 58.100 0.226 0.000 1.499 929 Y CB 0.491 38.963 38.460 0.021 0.000 1.288 929 Y HN -0.050 nan 8.280 nan 0.000 0.575 930 V N 3.483 123.676 119.914 0.464 0.000 2.332 930 V HA -0.299 3.836 4.120 0.024 0.000 0.248 930 V C 0.528 176.807 176.094 0.308 0.000 1.055 930 V CA 1.384 63.910 62.300 0.376 0.000 1.038 930 V CB -0.537 31.538 31.823 0.421 0.000 0.651 930 V HN 0.588 nan 8.190 nan 0.000 0.450 931 F N 3.347 123.357 119.950 0.100 0.000 2.350 931 F HA 0.521 5.063 4.527 0.024 0.000 0.365 931 F C -2.495 173.315 175.800 0.016 0.000 1.122 931 F CA -3.512 54.479 58.000 -0.016 0.000 1.139 931 F CB 0.681 39.543 39.000 -0.230 0.000 1.220 931 F HN -0.003 nan 8.300 nan 0.000 0.499 932 P HA 0.341 nan 4.420 nan 0.000 0.274 932 P C -1.054 175.933 177.300 -0.521 0.000 1.231 932 P CA -0.063 62.806 63.100 -0.386 0.000 0.790 932 P CB 1.421 32.940 31.700 -0.302 0.000 0.951 933 S N -0.511 115.075 115.700 -0.189 0.000 2.724 933 S HA 0.417 4.902 4.470 0.024 0.000 0.278 933 S C -0.826 173.757 174.600 -0.028 0.000 1.190 933 S CA -0.931 57.185 58.200 -0.140 0.000 0.860 933 S CB 0.160 63.297 63.200 -0.104 0.000 1.206 933 S HN 0.336 nan 8.310 nan 0.000 0.507 934 E N 1.349 121.544 120.200 -0.007 0.000 2.608 934 E HA 0.317 4.681 4.350 0.024 0.000 0.259 934 E C -0.206 176.448 176.600 0.090 0.000 0.951 934 E CA 0.952 57.380 56.400 0.047 0.000 0.945 934 E CB -0.387 29.362 29.700 0.082 0.000 0.916 934 E HN 0.773 nan 8.360 nan 0.000 0.477 935 N N 1.622 120.418 118.700 0.159 0.000 2.927 935 N HA 0.509 5.263 4.740 0.024 0.000 0.248 935 N C 0.104 175.690 175.510 0.125 0.000 1.443 935 N CA -0.589 52.601 53.050 0.235 0.000 0.870 935 N CB 1.034 39.674 38.487 0.255 0.000 1.444 935 N HN 0.695 nan 8.380 nan 0.000 0.519 936 G N -1.193 107.649 108.800 0.070 0.000 2.155 936 G HA2 -0.258 3.716 3.960 0.024 0.000 0.257 936 G HA3 -0.258 3.716 3.960 0.024 0.000 0.257 936 G C -0.338 174.315 174.900 -0.410 0.000 0.983 936 G CA 0.398 45.411 45.100 -0.146 0.000 0.676 936 G HN 0.674 nan 8.290 nan 0.000 0.528 937 L N -0.008 120.880 121.223 -0.558 0.000 2.461 937 L HA 0.706 5.061 4.340 0.024 0.000 0.272 937 L C 0.665 176.944 176.870 -0.985 0.000 1.197 937 L CA 0.189 54.459 54.840 -0.950 0.000 0.836 937 L CB 0.594 41.739 42.059 -1.523 0.000 1.105 937 L HN 0.245 nan 8.230 nan 0.000 0.477 938 R N 2.426 122.258 120.500 -1.114 0.000 2.599 938 R HA 0.552 4.907 4.340 0.024 0.000 0.295 938 R C -0.886 175.047 176.300 -0.612 0.000 0.963 938 R CA -0.279 55.308 56.100 -0.855 0.000 0.883 938 R CB 1.484 31.182 30.300 -1.004 0.000 1.171 938 R HN 0.696 nan 8.270 nan 0.000 0.450 939 C N -0.028 119.071 119.300 -0.334 0.000 2.547 939 C HA 0.708 5.182 4.460 0.024 0.000 0.411 939 C C 1.259 176.223 174.990 -0.044 0.000 1.424 939 C CA -0.010 58.889 59.018 -0.198 0.000 1.848 939 C CB 1.357 29.003 27.740 -0.156 0.000 2.062 939 C HN 1.013 nan 8.230 nan 0.000 0.504 940 G N 1.584 110.370 108.800 -0.024 0.000 2.321 940 G HA2 -0.197 3.778 3.960 0.024 0.000 0.287 940 G HA3 -0.197 3.778 3.960 0.024 0.000 0.287 940 G C -0.004 174.954 174.900 0.097 0.000 1.018 940 G CA 0.714 45.847 45.100 0.055 0.000 0.855 940 G HN 0.788 nan 8.290 nan 0.000 0.507 941 T N 0.199 114.687 114.554 -0.109 0.000 2.771 941 T HA 0.458 4.822 4.350 0.024 0.000 0.291 941 T C 1.433 175.831 174.700 -0.504 0.000 0.954 941 T CA -0.556 61.430 62.100 -0.190 0.000 1.045 941 T CB 1.231 69.999 68.868 -0.167 0.000 0.917 941 T HN 0.225 nan 8.240 nan 0.000 0.484 942 R N 1.740 122.191 120.500 -0.082 0.000 2.237 942 R HA 0.256 4.611 4.340 0.024 0.000 0.195 942 R C 0.618 176.970 176.300 0.087 0.000 0.956 942 R CA 0.287 56.389 56.100 0.004 0.000 1.029 942 R CB 0.346 30.772 30.300 0.210 0.000 0.972 942 R HN 0.677 nan 8.270 nan 0.000 0.493 943 E N 0.573 120.830 120.200 0.096 0.000 2.321 943 E HA 0.304 4.669 4.350 0.024 0.000 0.281 943 E C -1.844 174.905 176.600 0.247 0.000 0.910 943 E CA -0.658 55.874 56.400 0.220 0.000 0.770 943 E CB 1.525 31.317 29.700 0.154 0.000 1.225 943 E HN -0.089 nan 8.360 nan 0.000 0.417 944 L N 4.084 125.515 121.223 0.346 0.000 2.410 944 L HA 0.593 4.947 4.340 0.024 0.000 0.270 944 L C -1.832 175.236 176.870 0.330 0.000 0.983 944 L CA -0.428 54.558 54.840 0.243 0.000 0.822 944 L CB 1.784 43.849 42.059 0.010 0.000 1.285 944 L HN 0.457 nan 8.230 nan 0.000 0.409 945 N N 4.427 123.290 118.700 0.271 0.000 2.354 945 N HA 0.426 5.180 4.740 0.024 0.000 0.287 945 N C -1.969 173.764 175.510 0.371 0.000 1.016 945 N CA -0.249 52.957 53.050 0.261 0.000 0.871 945 N CB 2.169 40.756 38.487 0.166 0.000 1.299 945 N HN 0.621 nan 8.380 nan 0.000 0.482 946 Y N 0.973 121.403 120.300 0.216 0.000 2.358 946 Y HA 0.410 4.974 4.550 0.024 0.000 0.324 946 Y C 0.653 176.652 175.900 0.164 0.000 1.123 946 Y CA 0.168 58.397 58.100 0.214 0.000 1.067 946 Y CB 0.832 39.475 38.460 0.306 0.000 1.230 946 Y HN 0.835 nan 8.280 nan 0.000 0.429 947 G N 6.318 114.940 108.800 -0.297 0.000 2.596 947 G HA2 -0.302 3.673 3.960 0.024 0.000 0.295 947 G HA3 -0.302 3.673 3.960 0.024 0.000 0.295 947 G C -1.746 173.042 174.900 -0.187 0.000 1.240 947 G CA 0.167 45.091 45.100 -0.294 0.000 0.985 947 G HN 0.614 nan 8.290 nan 0.000 0.555 948 P HA 0.156 nan 4.420 nan 0.000 0.249 948 P C 0.244 177.340 177.300 -0.340 0.000 1.229 948 P CA 0.687 63.597 63.100 -0.317 0.000 0.788 948 P CB 0.036 31.481 31.700 -0.424 0.000 1.072 949 H N 0.398 119.403 119.070 -0.108 0.000 2.482 949 H HA 0.455 5.026 4.556 0.024 0.000 0.344 949 H C -0.026 175.035 175.328 -0.445 0.000 1.151 949 H CA -0.033 55.826 56.048 -0.314 0.000 1.300 949 H CB 1.623 31.002 29.762 -0.638 0.000 1.494 949 H HN 0.073 nan 8.280 nan 0.000 0.542 950 Q N 2.313 121.867 119.800 -0.411 0.000 2.271 950 Q HA 0.229 4.584 4.340 0.024 0.000 0.268 950 Q C -1.718 174.048 176.000 -0.390 0.000 1.021 950 Q CA -0.693 54.963 55.803 -0.244 0.000 0.802 950 Q CB 2.032 30.759 28.738 -0.020 0.000 1.282 950 Q HN 0.589 nan 8.270 nan 0.000 0.431 951 W N 3.986 125.273 121.300 -0.022 0.000 2.656 951 W HA 0.575 5.250 4.660 0.024 0.000 0.327 951 W C -0.257 176.358 176.519 0.160 0.000 1.041 951 W CA -0.747 56.552 57.345 -0.077 0.000 1.229 951 W CB 2.001 31.200 29.460 -0.436 0.000 1.397 951 W HN 0.529 nan 8.180 nan 0.000 0.479 952 R N 0.683 121.432 120.500 0.415 0.000 2.750 952 R HA 0.808 5.163 4.340 0.024 0.000 0.281 952 R C 0.213 176.805 176.300 0.486 0.000 0.972 952 R CA -0.471 55.891 56.100 0.437 0.000 0.912 952 R CB 2.440 32.903 30.300 0.271 0.000 1.187 952 R HN 0.747 nan 8.270 nan 0.000 0.464 953 G N 0.655 109.736 108.800 0.468 0.000 2.534 953 G HA2 -0.007 3.968 3.960 0.024 0.000 0.142 953 G HA3 -0.007 3.968 3.960 0.024 0.000 0.142 953 G C -1.761 173.298 174.900 0.265 0.000 1.178 953 G CA -0.361 44.988 45.100 0.416 0.000 1.037 953 G HN 0.494 nan 8.290 nan 0.000 0.474 954 D N 0.141 120.709 120.400 0.279 0.000 2.381 954 D HA 0.590 5.244 4.640 0.024 0.000 0.245 954 D C -0.717 175.600 176.300 0.029 0.000 1.297 954 D CA -0.410 53.613 54.000 0.038 0.000 0.931 954 D CB 0.218 41.068 40.800 0.084 0.000 1.334 954 D HN 0.560 nan 8.370 nan 0.000 0.535 955 F N -0.273 119.680 119.950 0.004 0.000 2.869 955 F HA 0.687 5.229 4.527 0.024 0.000 0.325 955 F C -1.088 174.674 175.800 -0.064 0.000 1.184 955 F CA -1.045 56.891 58.000 -0.107 0.000 0.951 955 F CB 0.622 39.556 39.000 -0.109 0.000 1.421 955 F HN -0.156 nan 8.300 nan 0.000 0.501 956 Q N 1.536 121.428 119.800 0.153 0.000 2.345 956 Q HA 0.662 5.017 4.340 0.024 0.000 0.268 956 Q C -1.328 174.744 176.000 0.121 0.000 1.054 956 Q CA -0.498 55.297 55.803 -0.012 0.000 0.835 956 Q CB 2.735 31.357 28.738 -0.194 0.000 1.339 956 Q HN 0.872 nan 8.270 nan 0.000 0.447 957 F N -1.027 118.805 119.950 -0.196 0.000 2.686 957 F HA 0.749 5.290 4.527 0.024 0.000 0.311 957 F C -1.700 173.889 175.800 -0.353 0.000 1.128 957 F CA -1.076 56.774 58.000 -0.251 0.000 0.946 957 F CB 1.595 40.475 39.000 -0.201 0.000 1.336 957 F HN 0.581 nan 8.300 nan 0.000 0.457 958 N N 1.572 120.109 118.700 -0.271 0.000 2.242 958 N HA 0.713 5.467 4.740 0.024 0.000 0.292 958 N C -2.160 173.308 175.510 -0.070 0.000 1.125 958 N CA -0.705 52.161 53.050 -0.306 0.000 0.783 958 N CB 2.569 40.886 38.487 -0.283 0.000 1.558 958 N HN 1.123 nan 8.380 nan 0.000 0.472 959 I N 0.637 121.157 120.570 -0.085 0.000 2.610 959 I HA 0.698 4.882 4.170 0.024 0.000 0.289 959 I C -1.330 174.712 176.117 -0.125 0.000 1.163 959 I CA 0.049 61.263 61.300 -0.143 0.000 1.044 959 I CB 1.373 39.225 38.000 -0.247 0.000 1.251 959 I HN 1.075 nan 8.210 nan 0.000 0.424 960 S N 6.181 121.814 115.700 -0.112 0.000 2.669 960 S HA 0.476 4.960 4.470 0.024 0.000 0.266 960 S C -0.363 174.129 174.600 -0.180 0.000 1.149 960 S CA -1.000 57.125 58.200 -0.127 0.000 0.842 960 S CB 1.443 64.618 63.200 -0.041 0.000 1.160 960 S HN 0.632 nan 8.310 nan 0.000 0.487 961 R N -0.111 120.102 120.500 -0.477 0.000 2.388 961 R HA 0.261 4.615 4.340 0.024 0.000 0.247 961 R C -0.898 175.054 176.300 -0.579 0.000 0.931 961 R CA 0.247 56.038 56.100 -0.516 0.000 1.082 961 R CB -0.683 29.263 30.300 -0.590 0.000 1.135 961 R HN 0.642 nan 8.270 nan 0.000 0.525 962 Y N 0.391 120.652 120.300 -0.066 0.000 2.376 962 Y HA 0.209 4.774 4.550 0.024 0.000 0.340 962 Y C 0.790 176.468 175.900 -0.369 0.000 0.965 962 Y CA -1.088 56.886 58.100 -0.210 0.000 1.078 962 Y CB 1.508 39.790 38.460 -0.296 0.000 1.193 962 Y HN -0.082 nan 8.280 nan 0.000 0.452 963 S N 1.328 116.688 115.700 -0.567 0.000 2.624 963 S HA 0.078 4.562 4.470 0.024 0.000 0.263 963 S C 0.876 175.139 174.600 -0.563 0.000 1.287 963 S CA -0.783 56.713 58.200 -1.173 0.000 0.990 963 S CB 1.115 63.358 63.200 -1.594 0.000 0.950 963 S HN 0.714 nan 8.310 nan 0.000 0.561 964 Q N 0.459 119.946 119.800 -0.521 0.000 2.170 964 Q HA -0.184 4.171 4.340 0.024 0.000 0.203 964 Q C 2.208 178.063 176.000 -0.240 0.000 0.976 964 Q CA 1.714 57.350 55.803 -0.279 0.000 0.858 964 Q CB -0.549 28.055 28.738 -0.224 0.000 0.907 964 Q HN 0.955 nan 8.270 nan 0.000 0.433 965 Q N 0.523 120.138 119.800 -0.309 0.000 2.084 965 Q HA -0.211 4.143 4.340 0.024 0.000 0.202 965 Q C 2.100 177.998 176.000 -0.170 0.000 0.978 965 Q CA 1.462 57.148 55.803 -0.196 0.000 0.844 965 Q CB 0.039 28.670 28.738 -0.178 0.000 0.898 965 Q HN 0.394 nan 8.270 nan 0.000 0.426 966 Q N -0.004 119.665 119.800 -0.217 0.000 2.079 966 Q HA -0.156 4.198 4.340 0.024 0.000 0.200 966 Q C 2.219 178.103 176.000 -0.194 0.000 0.974 966 Q CA 1.241 56.935 55.803 -0.183 0.000 0.840 966 Q CB -0.046 28.563 28.738 -0.215 0.000 0.898 966 Q HN 0.477 nan 8.270 nan 0.000 0.430 967 L N 0.590 121.692 121.223 -0.201 0.000 2.012 967 L HA -0.240 4.115 4.340 0.024 0.000 0.210 967 L C 2.769 179.511 176.870 -0.213 0.000 1.073 967 L CA 1.683 56.400 54.840 -0.205 0.000 0.748 967 L CB -0.573 41.397 42.059 -0.149 0.000 0.891 967 L HN 0.472 nan 8.230 nan 0.000 0.431 968 M N -1.123 118.380 119.600 -0.160 0.000 2.319 968 M HA -0.127 4.368 4.480 0.024 0.000 0.265 968 M C 1.380 177.611 176.300 -0.116 0.000 1.068 968 M CA 1.715 56.934 55.300 -0.135 0.000 1.118 968 M CB -0.318 32.221 32.600 -0.102 0.000 1.395 968 M HN 0.126 nan 8.290 nan 0.000 0.435 969 E N 0.830 120.964 120.200 -0.110 0.000 2.479 969 E HA 0.110 4.474 4.350 0.024 0.000 0.193 969 E C -0.406 176.152 176.600 -0.070 0.000 1.049 969 E CA 0.055 56.412 56.400 -0.071 0.000 0.870 969 E CB 0.470 30.137 29.700 -0.056 0.000 0.944 969 E HN 0.414 nan 8.360 nan 0.000 0.492 970 T N 0.297 114.776 114.554 -0.126 0.000 2.792 970 T HA 0.098 4.463 4.350 0.024 0.000 0.280 970 T C 0.939 175.557 174.700 -0.137 0.000 0.990 970 T CA -0.509 61.518 62.100 -0.121 0.000 0.960 970 T CB 1.655 70.417 68.868 -0.176 0.000 0.939 970 T HN 0.016 nan 8.240 nan 0.000 0.439 971 S N 1.831 117.544 115.700 0.022 0.000 2.528 971 S HA 0.108 4.593 4.470 0.024 0.000 0.219 971 S C 0.237 174.913 174.600 0.127 0.000 0.985 971 S CA 0.187 58.477 58.200 0.149 0.000 0.914 971 S CB -0.208 63.215 63.200 0.371 0.000 0.776 971 S HN 0.734 nan 8.310 nan 0.000 0.526 972 H N 0.555 119.628 119.070 0.005 0.000 2.759 972 H HA 0.477 5.047 4.556 0.024 0.000 0.354 972 H C 0.909 176.189 175.328 -0.079 0.000 1.074 972 H CA -0.795 55.292 56.048 0.065 0.000 1.226 972 H CB 1.524 31.285 29.762 -0.002 0.000 1.648 972 H HN 0.117 nan 8.280 nan 0.000 0.529 973 R N 2.007 122.607 120.500 0.167 0.000 2.105 973 R HA -0.184 4.171 4.340 0.024 0.000 0.239 973 R C 1.211 177.520 176.300 0.015 0.000 1.135 973 R CA 2.001 58.141 56.100 0.067 0.000 0.967 973 R CB -0.473 29.912 30.300 0.142 0.000 0.861 973 R HN 0.783 nan 8.270 nan 0.000 0.442 974 H N 0.894 119.971 119.070 0.012 0.000 2.545 974 H HA 0.029 4.599 4.556 0.024 0.000 0.282 974 H C 1.435 176.691 175.328 -0.119 0.000 1.020 974 H CA 0.760 56.778 56.048 -0.051 0.000 1.243 974 H CB -0.102 29.625 29.762 -0.058 0.000 1.377 974 H HN 0.325 nan 8.280 nan 0.000 0.581 975 L N 0.841 121.689 121.223 -0.625 0.000 2.592 975 L HA 0.230 4.584 4.340 0.024 0.000 0.227 975 L C 0.649 177.387 176.870 -0.219 0.000 1.127 975 L CA -0.119 54.432 54.840 -0.481 0.000 0.884 975 L CB 0.171 41.914 42.059 -0.528 0.000 1.065 975 L HN 0.071 nan 8.230 nan 0.000 0.457 976 L N 0.528 121.610 121.223 -0.236 0.000 2.418 976 L HA 0.225 4.579 4.340 0.024 0.000 0.265 976 L C 0.067 176.890 176.870 -0.079 0.000 1.143 976 L CA -0.300 54.365 54.840 -0.292 0.000 0.809 976 L CB 0.659 42.323 42.059 -0.658 0.000 1.124 976 L HN 0.187 nan 8.230 nan 0.000 0.456 977 H N 1.208 120.306 119.070 0.048 0.000 2.717 977 H HA 0.566 5.136 4.556 0.024 0.000 0.366 977 H C -0.797 174.674 175.328 0.237 0.000 1.132 977 H CA -1.261 54.863 56.048 0.127 0.000 1.180 977 H CB 1.323 31.110 29.762 0.042 0.000 1.678 977 H HN 0.666 nan 8.280 nan 0.000 0.537 978 A N 3.204 126.139 122.820 0.192 0.000 2.546 978 A HA 0.086 4.421 4.320 0.024 0.000 0.243 978 A C 0.392 178.007 177.584 0.052 0.000 1.063 978 A CA -0.062 51.927 52.037 -0.081 0.000 0.757 978 A CB -0.102 18.836 19.000 -0.103 0.000 0.991 978 A HN 0.826 nan 8.150 nan 0.000 0.503 979 E N 0.706 120.904 120.200 -0.003 0.000 2.330 979 E HA 0.247 4.612 4.350 0.024 0.000 0.256 979 E C 0.063 176.698 176.600 0.058 0.000 1.146 979 E CA -0.672 55.814 56.400 0.143 0.000 0.945 979 E CB 0.631 30.497 29.700 0.276 0.000 1.182 979 E HN 0.818 nan 8.360 nan 0.000 0.480 980 E N 0.145 120.376 120.200 0.052 0.000 2.392 980 E HA 0.253 4.617 4.350 0.024 0.000 0.264 980 E C 0.241 176.791 176.600 -0.084 0.000 1.024 980 E CA 0.430 56.820 56.400 -0.016 0.000 0.903 980 E CB 0.336 30.025 29.700 -0.019 0.000 0.963 980 E HN 0.650 nan 8.360 nan 0.000 0.432 981 G N 2.612 111.366 108.800 -0.077 0.000 2.698 981 G HA2 -0.220 3.755 3.960 0.024 0.000 0.233 981 G HA3 -0.220 3.755 3.960 0.024 0.000 0.233 981 G C -0.619 174.213 174.900 -0.114 0.000 1.352 981 G CA -0.185 44.851 45.100 -0.107 0.000 0.879 981 G HN 0.660 nan 8.290 nan 0.000 0.567 982 T N 0.342 114.819 114.554 -0.129 0.000 2.812 982 T HA 0.499 4.864 4.350 0.024 0.000 0.282 982 T C -0.673 173.880 174.700 -0.244 0.000 0.990 982 T CA -0.106 61.925 62.100 -0.115 0.000 0.960 982 T CB 1.258 70.157 68.868 0.052 0.000 0.948 982 T HN 0.542 nan 8.240 nan 0.000 0.438 983 W N 3.523 124.728 121.300 -0.158 0.000 2.335 983 W HA 0.572 5.247 4.660 0.024 0.000 0.306 983 W C -0.291 176.097 176.519 -0.217 0.000 1.216 983 W CA -0.698 56.551 57.345 -0.160 0.000 1.237 983 W CB 0.682 30.058 29.460 -0.141 0.000 1.243 983 W HN 0.365 nan 8.180 nan 0.000 0.493 984 L N 5.860 127.069 121.223 -0.023 0.000 2.313 984 L HA 0.501 4.856 4.340 0.024 0.000 0.283 984 L C -0.843 175.922 176.870 -0.174 0.000 1.013 984 L CA -0.438 54.274 54.840 -0.214 0.000 0.816 984 L CB 0.767 42.547 42.059 -0.466 0.000 1.236 984 L HN 0.294 nan 8.230 nan 0.000 0.419 985 N N 6.286 124.880 118.700 -0.176 0.000 2.446 985 N HA 0.442 5.196 4.740 0.024 0.000 0.265 985 N C -1.245 174.124 175.510 -0.235 0.000 0.975 985 N CA -0.158 52.785 53.050 -0.179 0.000 0.928 985 N CB 2.420 40.829 38.487 -0.129 0.000 1.160 985 N HN 0.649 nan 8.380 nan 0.000 0.495 986 I N 1.784 122.168 120.570 -0.309 0.000 2.439 986 I HA 0.263 4.447 4.170 0.024 0.000 0.285 986 I C -1.248 174.677 176.117 -0.320 0.000 1.021 986 I CA -0.586 60.497 61.300 -0.362 0.000 1.091 986 I CB 0.972 38.563 38.000 -0.681 0.000 1.242 986 I HN 0.226 nan 8.210 nan 0.000 0.439 987 D N 5.113 125.361 120.400 -0.253 0.000 2.256 987 D HA 0.335 4.989 4.640 0.024 0.000 0.246 987 D C 0.784 176.775 176.300 -0.516 0.000 1.042 987 D CA -0.275 53.503 54.000 -0.370 0.000 0.841 987 D CB 2.291 42.980 40.800 -0.185 0.000 1.223 987 D HN 0.694 nan 8.370 nan 0.000 0.470 988 G N 1.104 109.266 108.800 -1.063 0.000 2.403 988 G HA2 -0.008 3.966 3.960 0.024 0.000 0.216 988 G HA3 -0.008 3.966 3.960 0.024 0.000 0.216 988 G C 0.110 174.207 174.900 -1.338 0.000 1.154 988 G CA 0.582 44.898 45.100 -1.306 0.000 0.784 988 G HN 0.380 nan 8.290 nan 0.000 0.538 989 F N -2.260 117.473 119.950 -0.361 0.000 2.613 989 F HA 0.616 5.158 4.527 0.024 0.000 0.310 989 F C -0.526 175.174 175.800 -0.167 0.000 1.085 989 F CA -1.126 56.749 58.000 -0.208 0.000 0.945 989 F CB 2.238 41.034 39.000 -0.341 0.000 1.298 989 F HN 0.050 nan 8.300 nan 0.000 0.455 990 H N 1.718 120.791 119.070 0.006 0.000 2.954 990 H HA 0.490 5.061 4.556 0.024 0.000 0.361 990 H C -0.908 174.436 175.328 0.028 0.000 1.122 990 H CA -0.888 55.135 56.048 -0.042 0.000 1.217 990 H CB 1.798 31.520 29.762 -0.066 0.000 1.776 990 H HN 0.779 nan 8.280 nan 0.000 0.533 991 M N 3.511 123.090 119.600 -0.034 0.000 2.232 991 M HA 0.305 4.800 4.480 0.024 0.000 0.321 991 M C 0.430 176.846 176.300 0.193 0.000 1.101 991 M CA 0.393 55.732 55.300 0.065 0.000 1.181 991 M CB 0.394 32.930 32.600 -0.105 0.000 1.432 991 M HN 0.824 nan 8.290 nan 0.000 0.457 992 G N 2.573 111.460 108.800 0.146 0.000 2.664 992 G HA2 0.283 4.258 3.960 0.024 0.000 0.242 992 G HA3 0.283 4.258 3.960 0.024 0.000 0.242 992 G C 0.572 175.446 174.900 -0.044 0.000 1.225 992 G CA -0.368 44.743 45.100 0.019 0.000 0.849 992 G HN 0.975 nan 8.290 nan 0.000 0.581 993 I N -1.378 119.116 120.570 -0.128 0.000 3.783 993 I HA 0.405 4.589 4.170 0.024 0.000 0.310 993 I C 1.228 177.264 176.117 -0.136 0.000 1.274 993 I CA 0.371 61.556 61.300 -0.192 0.000 1.294 993 I CB -0.585 37.188 38.000 -0.379 0.000 1.051 993 I HN 0.918 nan 8.210 nan 0.000 0.435 994 G N 1.707 110.456 108.800 -0.085 0.000 2.645 994 G HA2 0.002 3.976 3.960 0.024 0.000 0.246 994 G HA3 0.002 3.976 3.960 0.024 0.000 0.246 994 G C 0.567 175.453 174.900 -0.024 0.000 1.322 994 G CA 0.215 45.302 45.100 -0.022 0.000 0.898 994 G HN 1.337 nan 8.290 nan 0.000 0.573 995 G N -2.531 106.270 108.800 0.002 0.000 2.870 995 G HA2 0.016 3.990 3.960 0.024 0.000 0.216 995 G HA3 0.016 3.990 3.960 0.024 0.000 0.216 995 G C 0.668 175.614 174.900 0.077 0.000 0.973 995 G CA 0.965 46.073 45.100 0.014 0.000 0.807 995 G HN 0.925 nan 8.290 nan 0.000 0.573 996 D N 1.271 121.742 120.400 0.119 0.000 2.203 996 D HA 0.061 4.716 4.640 0.024 0.000 0.199 996 D C 0.993 177.325 176.300 0.054 0.000 0.997 996 D CA 2.125 56.262 54.000 0.228 0.000 0.863 996 D CB 0.129 41.069 40.800 0.234 0.000 0.928 996 D HN 0.802 nan 8.370 nan 0.000 0.458 997 D N -3.345 116.875 120.400 -0.300 0.000 2.615 997 D HA 0.329 4.984 4.640 0.024 0.000 0.267 997 D C -0.848 174.927 176.300 -0.875 0.000 1.236 997 D CA -0.754 52.630 54.000 -1.026 0.000 0.839 997 D CB 0.957 40.572 40.800 -1.976 0.000 1.380 997 D HN -0.300 nan 8.370 nan 0.000 0.433 998 S N -0.439 114.561 115.700 -1.167 0.000 2.624 998 S HA 0.249 4.734 4.470 0.024 0.000 0.246 998 S C -0.576 174.002 174.600 -0.036 0.000 1.072 998 S CA -0.671 57.346 58.200 -0.306 0.000 1.045 998 S CB -0.539 62.724 63.200 0.105 0.000 0.851 998 S HN 0.638 nan 8.310 nan 0.000 0.480 999 W N 0.702 121.938 121.300 -0.108 0.000 2.079 999 W HA 0.498 5.172 4.660 0.023 0.000 0.285 999 W C 0.013 176.482 176.519 -0.083 0.000 0.891 999 W CA -0.347 56.940 57.345 -0.096 0.000 1.308 999 W CB -0.451 28.882 29.460 -0.211 0.000 1.047 999 W HN 0.181 nan 8.180 nan 0.000 0.522 1000 S N -0.690 114.886 115.700 -0.207 0.000 2.556 1000 S HA 0.652 5.136 4.470 0.024 0.000 0.271 1000 S C -3.021 171.518 174.600 -0.101 0.000 1.135 1000 S CA -1.748 56.394 58.200 -0.096 0.000 0.858 1000 S CB 1.730 64.900 63.200 -0.051 0.000 1.114 1000 S HN -0.237 nan 8.310 nan 0.000 0.468 1001 P HA 0.135 nan 4.420 nan 0.000 0.262 1001 P C 0.390 177.734 177.300 0.074 0.000 1.182 1001 P CA 0.116 63.232 63.100 0.026 0.000 0.761 1001 P CB 0.500 32.111 31.700 -0.149 0.000 0.795 1002 S N 0.538 116.318 115.700 0.134 0.000 2.847 1002 S HA 0.140 4.625 4.470 0.024 0.000 0.254 1002 S C 0.145 174.826 174.600 0.135 0.000 1.039 1002 S CA -0.330 57.921 58.200 0.085 0.000 1.113 1002 S CB -0.258 62.939 63.200 -0.004 0.000 1.092 1002 S HN 0.114 nan 8.310 nan 0.000 0.620 1003 V N 2.933 122.969 119.914 0.203 0.000 2.427 1003 V HA 0.383 4.517 4.120 0.024 0.000 0.268 1003 V C 0.845 177.080 176.094 0.236 0.000 1.046 1003 V CA -0.284 62.117 62.300 0.169 0.000 0.970 1003 V CB 0.788 32.641 31.823 0.049 0.000 1.001 1003 V HN 0.522 nan 8.190 nan 0.000 0.476 1004 S N 4.105 119.953 115.700 0.247 0.000 2.573 1004 S HA 0.272 4.756 4.470 0.024 0.000 0.277 1004 S C 1.568 176.291 174.600 0.206 0.000 1.346 1004 S CA 0.121 58.454 58.200 0.222 0.000 1.034 1004 S CB 1.096 64.442 63.200 0.243 0.000 0.879 1004 S HN 0.984 nan 8.310 nan 0.000 0.528 1005 A N 3.203 126.105 122.820 0.137 0.000 1.940 1005 A HA -0.128 4.206 4.320 0.024 0.000 0.219 1005 A C 2.001 179.599 177.584 0.024 0.000 1.176 1005 A CA 1.755 53.859 52.037 0.112 0.000 0.631 1005 A CB -0.669 18.385 19.000 0.089 0.000 0.814 1005 A HN 0.952 nan 8.150 nan 0.000 0.446 1006 E N -0.767 119.379 120.200 -0.090 0.000 2.409 1006 E HA -0.136 4.229 4.350 0.024 0.000 0.198 1006 E C 0.729 177.056 176.600 -0.455 0.000 1.024 1006 E CA 0.803 57.027 56.400 -0.293 0.000 0.861 1006 E CB -0.485 28.951 29.700 -0.441 0.000 0.788 1006 E HN 0.691 nan 8.360 nan 0.000 0.521 1007 F N 1.091 121.086 119.950 0.074 0.000 2.654 1007 F HA 0.262 4.803 4.527 0.024 0.000 0.303 1007 F C 0.793 176.624 175.800 0.052 0.000 1.099 1007 F CA -0.553 57.490 58.000 0.072 0.000 1.270 1007 F CB 0.584 39.625 39.000 0.069 0.000 1.024 1007 F HN -0.184 nan 8.300 nan 0.000 0.548 1008 Q N 1.034 120.929 119.800 0.157 0.000 2.214 1008 Q HA 0.423 4.778 4.340 0.024 0.000 0.251 1008 Q C -0.201 175.829 176.000 0.050 0.000 0.936 1008 Q CA -0.626 55.251 55.803 0.123 0.000 0.894 1008 Q CB 1.976 30.877 28.738 0.273 0.000 1.252 1008 Q HN 0.235 nan 8.270 nan 0.000 0.448 1009 L N 2.363 123.609 121.223 0.038 0.000 2.399 1009 L HA 0.115 4.470 4.340 0.024 0.000 0.257 1009 L C 0.474 177.329 176.870 -0.024 0.000 1.236 1009 L CA -0.040 54.812 54.840 0.020 0.000 1.144 1009 L CB -0.362 41.615 42.059 -0.136 0.000 1.379 1009 L HN 0.704 nan 8.230 nan 0.000 0.414 1010 S N -1.317 114.273 115.700 -0.185 0.000 2.593 1010 S HA 0.175 4.660 4.470 0.024 0.000 0.236 1010 S C 1.513 176.031 174.600 -0.137 0.000 0.991 1010 S CA 0.137 58.077 58.200 -0.433 0.000 0.963 1010 S CB 0.815 63.563 63.200 -0.754 0.000 0.865 1010 S HN 0.491 nan 8.310 nan 0.000 0.488 1011 A N 1.337 124.095 122.820 -0.103 0.000 2.172 1011 A HA 0.473 4.807 4.320 0.024 0.000 0.216 1011 A C 2.094 179.505 177.584 -0.288 0.000 1.154 1011 A CA 1.062 52.907 52.037 -0.320 0.000 0.701 1011 A CB -1.252 17.365 19.000 -0.638 0.000 0.789 1011 A HN 1.485 nan 8.150 nan 0.000 0.465 1012 G N -1.095 107.642 108.800 -0.105 0.000 2.550 1012 G HA2 -0.318 3.656 3.960 0.024 0.000 0.233 1012 G HA3 -0.318 3.656 3.960 0.024 0.000 0.233 1012 G C 0.471 175.354 174.900 -0.029 0.000 1.170 1012 G CA 0.546 45.645 45.100 -0.003 0.000 0.693 1012 G HN 0.692 nan 8.290 nan 0.000 0.512 1013 R N -0.507 119.851 120.500 -0.237 0.000 2.513 1013 R HA 0.681 5.035 4.340 0.024 0.000 0.301 1013 R C -1.490 174.585 176.300 -0.375 0.000 0.968 1013 R CA -0.589 55.429 56.100 -0.137 0.000 0.872 1013 R CB 1.509 31.770 30.300 -0.064 0.000 1.177 1013 R HN 0.256 nan 8.270 nan 0.000 0.444 1014 Y N 0.281 120.584 120.300 0.005 0.000 2.499 1014 Y HA 0.358 4.923 4.550 0.024 0.000 0.347 1014 Y C -0.346 175.706 175.900 0.252 0.000 0.987 1014 Y CA -0.817 57.255 58.100 -0.047 0.000 1.044 1014 Y CB 2.200 40.501 38.460 -0.265 0.000 1.245 1014 Y HN 0.573 nan 8.280 nan 0.000 0.461 1015 H N 2.415 121.763 119.070 0.463 0.000 2.679 1015 H HA 0.589 5.159 4.556 0.024 0.000 0.360 1015 H C -1.764 173.947 175.328 0.638 0.000 1.105 1015 H CA -0.944 55.357 56.048 0.423 0.000 1.196 1015 H CB 1.217 31.126 29.762 0.244 0.000 1.636 1015 H HN 0.571 nan 8.280 nan 0.000 0.531 1016 Y N 1.782 121.884 120.300 -0.329 0.000 2.571 1016 Y HA 0.461 5.025 4.550 0.024 0.000 0.341 1016 Y C -1.979 173.691 175.900 -0.384 0.000 1.076 1016 Y CA -1.091 56.873 58.100 -0.226 0.000 1.029 1016 Y CB 1.458 39.880 38.460 -0.063 0.000 1.308 1016 Y HN 0.756 nan 8.280 nan 0.000 0.461 1017 Q N 3.365 123.129 119.800 -0.061 0.000 2.345 1017 Q HA 0.779 5.134 4.340 0.024 0.000 0.275 1017 Q C -2.223 173.848 176.000 0.118 0.000 1.063 1017 Q CA -1.081 54.684 55.803 -0.064 0.000 0.819 1017 Q CB 3.302 32.048 28.738 0.015 0.000 1.356 1017 Q HN 0.876 nan 8.270 nan 0.000 0.418 1018 L N 1.516 122.797 121.223 0.097 0.000 2.422 1018 L HA 0.647 5.002 4.340 0.024 0.000 0.264 1018 L C -0.984 176.004 176.870 0.197 0.000 0.984 1018 L CA -1.260 53.678 54.840 0.163 0.000 0.819 1018 L CB 2.654 44.785 42.059 0.120 0.000 1.330 1018 L HN 0.499 nan 8.230 nan 0.000 0.410 1019 V N 1.483 121.540 119.914 0.238 0.000 2.370 1019 V HA 0.350 4.485 4.120 0.024 0.000 0.283 1019 V C -0.991 175.302 176.094 0.331 0.000 1.023 1019 V CA -0.405 62.045 62.300 0.249 0.000 0.857 1019 V CB 1.726 33.667 31.823 0.198 0.000 0.985 1019 V HN 0.604 nan 8.190 nan 0.000 0.443 1020 W N 7.442 128.816 121.300 0.122 0.000 2.429 1020 W HA 0.704 5.378 4.660 0.024 0.000 0.314 1020 W C -0.285 176.244 176.519 0.016 0.000 1.062 1020 W CA -1.338 56.009 57.345 0.004 0.000 1.211 1020 W CB 1.319 30.848 29.460 0.114 0.000 1.305 1020 W HN 0.819 nan 8.180 nan 0.000 0.476 1021 C N 4.158 123.713 119.300 0.424 0.000 3.236 1021 C HA 0.859 5.333 4.460 0.024 0.000 0.312 1021 C C -0.541 174.557 174.990 0.181 0.000 1.374 1021 C CA -0.907 58.266 59.018 0.257 0.000 1.455 1021 C CB 1.406 29.250 27.740 0.173 0.000 1.834 1021 C HN 0.716 nan 8.230 nan 0.000 0.460 1022 Q N 1.214 121.072 119.800 0.097 0.000 2.345 1022 Q HA 0.931 5.286 4.340 0.024 0.000 0.268 1022 Q C -0.851 175.143 176.000 -0.010 0.000 1.054 1022 Q CA -0.077 55.727 55.803 0.001 0.000 0.835 1022 Q CB 1.735 30.434 28.738 -0.066 0.000 1.339 1022 Q HN 0.818 nan 8.270 nan 0.000 0.447 1023 K N 0.000 120.374 120.400 -0.043 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 1023 K CB 0.000 32.500 32.500 0.000 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543