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 1jz7_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMXGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.107 176.300 -0.321 0.000 0.893 13 R CA 0.000 55.979 56.100 -0.201 0.000 0.921 13 R CB 0.000 30.185 30.300 -0.191 0.000 0.687 14 R N 1.843 122.024 120.500 -0.531 0.000 3.956 14 R HA 0.113 4.461 4.340 0.012 0.000 0.237 14 R C 0.054 175.812 176.300 -0.902 0.000 1.552 14 R CA -0.397 54.972 56.100 -1.217 0.000 1.529 14 R CB 0.324 30.078 30.300 -0.910 0.000 1.376 14 R HN 0.472 nan 8.270 nan 0.000 0.733 15 D N 0.928 120.999 120.400 -0.549 0.000 2.263 15 D HA -0.180 4.467 4.640 0.012 0.000 0.208 15 D C 1.375 177.582 176.300 -0.154 0.000 0.971 15 D CA 1.092 54.873 54.000 -0.364 0.000 0.867 15 D CB 0.137 40.577 40.800 -0.600 0.000 0.929 15 D HN 0.632 nan 8.370 nan 0.000 0.492 16 W N 1.303 122.629 121.300 0.043 0.000 3.204 16 W HA 0.178 4.845 4.660 0.012 0.000 0.249 16 W C 0.412 177.040 176.519 0.181 0.000 1.322 16 W CA -0.206 57.273 57.345 0.224 0.000 1.593 16 W CB -0.254 29.388 29.460 0.303 0.000 1.122 16 W HN -0.191 nan 8.180 nan 0.000 0.710 17 E N 1.136 121.199 120.200 -0.227 0.000 3.385 17 E HA 0.055 4.412 4.350 0.012 0.000 0.206 17 E C -0.755 175.713 176.600 -0.220 0.000 0.997 17 E CA -0.219 56.094 56.400 -0.143 0.000 1.278 17 E CB -0.195 29.433 29.700 -0.120 0.000 1.165 17 E HN 0.026 nan 8.360 nan 0.000 0.452 18 N N 1.094 119.693 118.700 -0.169 0.000 2.629 18 N HA 0.130 4.877 4.740 0.012 0.000 0.277 18 N C -2.362 173.010 175.510 -0.230 0.000 1.188 18 N CA -1.914 50.999 53.050 -0.228 0.000 0.835 18 N CB 1.453 39.819 38.487 -0.203 0.000 1.420 18 N HN -0.164 nan 8.380 nan 0.000 0.542 19 P HA 0.063 nan 4.420 nan 0.000 0.234 19 P C 1.072 178.138 177.300 -0.389 0.000 1.167 19 P CA 0.585 63.364 63.100 -0.535 0.000 0.763 19 P CB 0.122 31.028 31.700 -1.324 0.000 0.835 20 G N -0.419 108.195 108.800 -0.311 0.000 2.712 20 G HA2 0.049 4.017 3.960 0.012 0.000 0.212 20 G HA3 0.049 4.017 3.960 0.012 0.000 0.212 20 G C 0.314 175.138 174.900 -0.126 0.000 1.142 20 G CA 0.164 45.135 45.100 -0.216 0.000 0.789 20 G HN 0.216 nan 8.290 nan 0.000 0.535 21 V N 1.716 121.576 119.914 -0.091 0.000 2.325 21 V HA 0.274 4.401 4.120 0.012 0.000 0.280 21 V C 0.835 176.987 176.094 0.096 0.000 1.016 21 V CA 0.095 62.394 62.300 -0.002 0.000 0.818 21 V CB 1.162 32.973 31.823 -0.020 0.000 1.019 21 V HN 0.325 nan 8.190 nan 0.000 0.434 22 T N 0.653 115.253 114.554 0.076 0.000 3.054 22 T HA 0.370 4.727 4.350 0.012 0.000 0.255 22 T C 0.258 174.991 174.700 0.055 0.000 1.035 22 T CA 0.049 62.197 62.100 0.079 0.000 0.941 22 T CB 0.266 69.136 68.868 0.004 0.000 1.026 22 T HN 0.689 nan 8.240 nan 0.000 0.533 23 Q N 0.167 120.048 119.800 0.134 0.000 2.776 23 Q HA 0.675 5.022 4.340 0.012 0.000 0.289 23 Q C -2.274 173.856 176.000 0.216 0.000 0.912 23 Q CA -1.069 54.803 55.803 0.115 0.000 0.789 23 Q CB 0.818 29.542 28.738 -0.023 0.000 1.498 23 Q HN 0.211 nan 8.270 nan 0.000 0.408 24 L N 1.543 122.916 121.223 0.251 0.000 2.470 24 L HA 0.609 4.956 4.340 0.012 0.000 0.268 24 L C -0.644 176.338 176.870 0.187 0.000 0.964 24 L CA -0.906 54.081 54.840 0.246 0.000 0.839 24 L CB 1.966 44.279 42.059 0.422 0.000 1.276 24 L HN 0.847 nan 8.230 nan 0.000 0.403 25 N N 0.911 119.690 118.700 0.132 0.000 2.741 25 N HA -0.207 4.541 4.740 0.012 0.000 0.251 25 N C 0.129 175.706 175.510 0.112 0.000 1.112 25 N CA 0.816 53.933 53.050 0.111 0.000 0.750 25 N CB -0.817 37.693 38.487 0.038 0.000 1.119 25 N HN 0.653 nan 8.380 nan 0.000 0.561 26 R N 0.919 121.409 120.500 -0.017 0.000 2.390 26 R HA 0.389 4.736 4.340 0.012 0.000 0.291 26 R C 0.505 176.668 176.300 -0.228 0.000 1.070 26 R CA -0.367 55.524 56.100 -0.348 0.000 1.014 26 R CB 0.542 30.612 30.300 -0.382 0.000 1.007 26 R HN 0.129 nan 8.270 nan 0.000 0.466 27 L N 3.089 124.149 121.223 -0.272 0.000 2.453 27 L HA 0.292 4.639 4.340 0.012 0.000 0.261 27 L C 0.695 177.512 176.870 -0.088 0.000 1.179 27 L CA -0.544 54.228 54.840 -0.113 0.000 0.813 27 L CB 0.776 42.799 42.059 -0.060 0.000 1.110 27 L HN 0.775 nan 8.230 nan 0.000 0.466 28 A N 1.483 124.293 122.820 -0.017 0.000 2.520 28 A HA 0.459 4.786 4.320 0.012 0.000 0.235 28 A C 0.335 177.939 177.584 0.032 0.000 1.065 28 A CA 0.065 52.104 52.037 0.003 0.000 0.764 28 A CB 0.120 19.145 19.000 0.042 0.000 1.002 28 A HN 0.803 nan 8.150 nan 0.000 0.502 29 A N 1.424 124.214 122.820 -0.049 0.000 2.332 29 A HA 0.695 5.022 4.320 0.012 0.000 0.258 29 A C 0.106 177.626 177.584 -0.108 0.000 1.087 29 A CA 0.448 52.384 52.037 -0.168 0.000 0.802 29 A CB -0.016 18.869 19.000 -0.192 0.000 1.042 29 A HN 1.861 nan 8.150 nan 0.000 0.489 30 H N -2.315 116.596 119.070 -0.266 0.000 2.917 30 H HA 0.641 5.204 4.556 0.012 0.000 0.299 30 H C -3.406 171.637 175.328 -0.477 0.000 1.418 30 H CA -1.786 54.050 56.048 -0.355 0.000 1.138 30 H CB 0.075 29.526 29.762 -0.518 0.000 1.830 30 H HN 0.382 nan 8.280 nan 0.000 0.514 31 P HA 0.245 nan 4.420 nan 0.000 0.276 31 P C -2.617 174.519 177.300 -0.274 0.000 1.261 31 P CA -1.516 61.373 63.100 -0.352 0.000 0.800 31 P CB -0.106 31.305 31.700 -0.481 0.000 1.066 32 P HA 0.055 nan 4.420 nan 0.000 0.263 32 P C -0.790 176.723 177.300 0.355 0.000 1.195 32 P CA 1.099 64.241 63.100 0.070 0.000 0.762 32 P CB -0.093 31.685 31.700 0.130 0.000 0.799 33 F N 1.398 121.460 119.950 0.187 0.000 2.556 33 F HA 0.613 5.147 4.527 0.012 0.000 0.327 33 F C 0.995 176.744 175.800 -0.084 0.000 1.059 33 F CA -1.003 57.057 58.000 0.101 0.000 0.953 33 F CB 2.159 41.189 39.000 0.050 0.000 1.227 33 F HN 0.212 nan 8.300 nan 0.000 0.478 34 A N 0.299 123.067 122.820 -0.086 0.000 2.664 34 A HA 0.229 4.556 4.320 0.012 0.000 0.222 34 A C 0.534 177.844 177.584 -0.456 0.000 1.320 34 A CA 0.416 52.170 52.037 -0.471 0.000 1.029 34 A CB -0.131 18.148 19.000 -1.201 0.000 1.318 34 A HN 0.747 nan 8.150 nan 0.000 0.589 35 S N 0.538 116.084 115.700 -0.256 0.000 3.484 35 S HA -0.150 4.327 4.470 0.012 0.000 0.384 35 S C -0.007 174.544 174.600 -0.081 0.000 0.932 35 S CA 0.455 58.560 58.200 -0.157 0.000 1.293 35 S CB -1.515 61.588 63.200 -0.162 0.000 0.919 35 S HN 0.458 nan 8.310 nan 0.000 0.540 36 W N 2.049 123.330 121.300 -0.031 0.000 2.150 36 W HA 0.297 4.964 4.660 0.012 0.000 0.341 36 W C 1.367 177.863 176.519 -0.040 0.000 1.276 36 W CA -0.637 56.693 57.345 -0.024 0.000 1.238 36 W CB 0.332 29.777 29.460 -0.024 0.000 1.128 36 W HN 0.355 nan 8.180 nan 0.000 0.581 37 R N 1.791 122.414 120.500 0.206 0.000 2.577 37 R HA 0.098 4.445 4.340 0.012 0.000 0.344 37 R C -0.103 176.243 176.300 0.078 0.000 1.037 37 R CA -0.130 56.030 56.100 0.099 0.000 1.102 37 R CB -0.155 30.173 30.300 0.047 0.000 1.313 37 R HN 0.361 nan 8.270 nan 0.000 0.561 38 N N -0.057 118.700 118.700 0.094 0.000 2.397 38 N HA 0.126 4.873 4.740 0.012 0.000 0.291 38 N C -0.116 175.350 175.510 -0.073 0.000 1.065 38 N CA -0.048 53.008 53.050 0.009 0.000 0.884 38 N CB 1.967 40.460 38.487 0.011 0.000 1.551 38 N HN -0.259 nan 8.380 nan 0.000 0.487 39 S N 2.259 117.896 115.700 -0.106 0.000 2.383 39 S HA -0.142 4.336 4.470 0.012 0.000 0.227 39 S C 1.391 175.806 174.600 -0.308 0.000 1.026 39 S CA 1.009 59.099 58.200 -0.184 0.000 0.981 39 S CB -0.017 63.108 63.200 -0.125 0.000 0.818 39 S HN 0.764 nan 8.310 nan 0.000 0.472 40 E N 1.738 121.778 120.200 -0.266 0.000 2.106 40 E HA -0.142 4.215 4.350 0.012 0.000 0.192 40 E C 1.824 178.199 176.600 -0.374 0.000 0.984 40 E CA 1.109 57.314 56.400 -0.326 0.000 0.806 40 E CB -0.144 29.424 29.700 -0.220 0.000 0.750 40 E HN 0.276 nan 8.360 nan 0.000 0.458 41 E N 0.160 120.151 120.200 -0.349 0.000 2.110 41 E HA -0.135 4.222 4.350 0.012 0.000 0.193 41 E C 1.986 177.996 176.600 -0.982 0.000 0.988 41 E CA 1.154 57.303 56.400 -0.418 0.000 0.804 41 E CB -0.469 29.126 29.700 -0.176 0.000 0.745 41 E HN 0.402 nan 8.360 nan 0.000 0.458 42 A N 1.413 123.454 122.820 -1.299 0.000 1.930 42 A HA -0.158 4.169 4.320 0.012 0.000 0.217 42 A C 2.225 179.216 177.584 -0.990 0.000 1.175 42 A CA 1.477 52.410 52.037 -1.840 0.000 0.627 42 A CB -0.432 17.990 19.000 -0.964 0.000 0.815 42 A HN 0.118 nan 8.150 nan 0.000 0.443 43 R N -0.082 120.013 120.500 -0.675 0.000 2.081 43 R HA -0.124 4.223 4.340 0.012 0.000 0.235 43 R C 2.000 178.045 176.300 -0.424 0.000 1.131 43 R CA 2.029 57.793 56.100 -0.559 0.000 0.960 43 R CB -0.450 29.394 30.300 -0.759 0.000 0.856 43 R HN 0.613 nan 8.270 nan 0.000 0.436 44 T N -2.512 111.805 114.554 -0.395 0.000 3.148 44 T HA 0.013 4.370 4.350 0.012 0.000 0.253 44 T C 0.330 174.945 174.700 -0.142 0.000 1.134 44 T CA 0.620 62.580 62.100 -0.234 0.000 1.051 44 T CB -0.026 68.731 68.868 -0.185 0.000 0.959 44 T HN 0.376 nan 8.240 nan 0.000 0.525 45 D N 0.683 120.963 120.400 -0.201 0.000 2.870 45 D HA -0.163 4.484 4.640 0.012 0.000 0.228 45 D C 0.096 176.516 176.300 0.199 0.000 1.147 45 D CA 0.440 54.475 54.000 0.058 0.000 0.757 45 D CB -1.077 39.798 40.800 0.125 0.000 1.091 45 D HN 0.583 nan 8.370 nan 0.000 0.429 46 R N -0.016 120.563 120.500 0.133 0.000 2.637 46 R HA 0.439 4.786 4.340 0.012 0.000 0.269 46 R C -2.054 174.500 176.300 0.423 0.000 1.089 46 R CA -1.216 55.011 56.100 0.211 0.000 1.177 46 R CB 0.123 30.490 30.300 0.113 0.000 1.091 46 R HN 0.088 nan 8.270 nan 0.000 0.540 47 P HA -0.025 nan 4.420 nan 0.000 0.269 47 P C -0.813 176.650 177.300 0.271 0.000 1.215 47 P CA 0.085 63.328 63.100 0.238 0.000 0.780 47 P CB 0.738 32.524 31.700 0.144 0.000 0.898 48 S N 0.828 116.565 115.700 0.061 0.000 2.454 48 S HA 0.135 4.612 4.470 0.012 0.000 0.306 48 S C 0.893 175.509 174.600 0.027 0.000 1.100 48 S CA -0.532 57.636 58.200 -0.053 0.000 1.087 48 S CB 0.541 63.396 63.200 -0.575 0.000 1.019 48 S HN 0.309 nan 8.310 nan 0.000 0.480 49 Q N 2.272 122.126 119.800 0.089 0.000 2.437 49 Q HA -0.075 4.272 4.340 0.012 0.000 0.210 49 Q C 0.718 176.850 176.000 0.219 0.000 0.972 49 Q CA 1.065 56.955 55.803 0.146 0.000 0.903 49 Q CB 0.044 28.864 28.738 0.138 0.000 0.967 49 Q HN 0.696 nan 8.270 nan 0.000 0.486 50 Q N -0.258 119.583 119.800 0.068 0.000 2.403 50 Q HA 0.088 4.435 4.340 0.012 0.000 0.203 50 Q C -0.394 175.662 176.000 0.094 0.000 0.932 50 Q CA 0.237 56.027 55.803 -0.021 0.000 0.945 50 Q CB 0.469 29.104 28.738 -0.172 0.000 1.045 50 Q HN 0.031 nan 8.270 nan 0.000 0.511 51 L N 0.662 121.956 121.223 0.118 0.000 2.388 51 L HA 0.436 4.784 4.340 0.012 0.000 0.267 51 L C -1.222 175.734 176.870 0.143 0.000 0.995 51 L CA -0.389 54.518 54.840 0.112 0.000 0.864 51 L CB 1.003 43.034 42.059 -0.047 0.000 1.216 51 L HN -0.116 nan 8.230 nan 0.000 0.430 52 R N 2.251 122.869 120.500 0.197 0.000 2.668 52 R HA 0.648 4.995 4.340 0.012 0.000 0.279 52 R C -0.496 175.825 176.300 0.035 0.000 0.976 52 R CA -0.734 55.423 56.100 0.095 0.000 0.978 52 R CB 1.954 32.268 30.300 0.023 0.000 1.133 52 R HN 0.632 nan 8.270 nan 0.000 0.484 53 S N 1.650 117.360 115.700 0.016 0.000 2.508 53 S HA 0.292 4.769 4.470 0.012 0.000 0.284 53 S C 0.571 175.165 174.600 -0.009 0.000 1.192 53 S CA -0.691 57.510 58.200 0.001 0.000 1.070 53 S CB 0.598 63.810 63.200 0.020 0.000 1.004 53 S HN 0.562 nan 8.310 nan 0.000 0.493 54 L N 3.483 124.695 121.223 -0.017 0.000 2.700 54 L HA 0.282 4.629 4.340 0.012 0.000 0.234 54 L C 0.233 177.234 176.870 0.218 0.000 1.156 54 L CA -0.323 54.525 54.840 0.014 0.000 0.946 54 L CB -0.313 41.689 42.059 -0.096 0.000 1.216 54 L HN 0.533 nan 8.230 nan 0.000 0.493 55 N N 1.115 119.897 118.700 0.138 0.000 2.415 55 N HA 0.443 5.190 4.740 0.012 0.000 0.248 55 N C 0.654 176.296 175.510 0.220 0.000 1.271 55 N CA 1.045 54.191 53.050 0.160 0.000 0.913 55 N CB 1.133 39.645 38.487 0.043 0.000 1.129 55 N HN 0.281 nan 8.380 nan 0.000 0.444 56 G N 0.156 109.106 108.800 0.250 0.000 2.247 56 G HA2 -0.075 3.892 3.960 0.012 0.000 0.229 56 G HA3 -0.075 3.892 3.960 0.012 0.000 0.229 56 G C -1.568 173.550 174.900 0.364 0.000 1.345 56 G CA -0.785 44.455 45.100 0.234 0.000 1.100 56 G HN 0.465 nan 8.290 nan 0.000 0.473 57 E N 0.055 120.434 120.200 0.299 0.000 2.194 57 E HA 0.467 4.824 4.350 0.012 0.000 0.284 57 E C -0.969 175.877 176.600 0.410 0.000 1.035 57 E CA -0.141 56.448 56.400 0.314 0.000 0.836 57 E CB 1.078 30.880 29.700 0.170 0.000 1.070 57 E HN 0.355 nan 8.360 nan 0.000 0.401 58 W N 1.598 122.988 121.300 0.150 0.000 2.894 58 W HA 0.404 5.071 4.660 0.012 0.000 0.345 58 W C 0.114 176.760 176.519 0.212 0.000 1.152 58 W CA -0.736 56.730 57.345 0.201 0.000 1.089 58 W CB 0.797 30.432 29.460 0.291 0.000 1.454 58 W HN 0.183 nan 8.180 nan 0.000 0.589 59 R N 1.472 122.251 120.500 0.465 0.000 2.474 59 R HA 0.598 4.945 4.340 0.012 0.000 0.295 59 R C -1.524 175.019 176.300 0.404 0.000 0.980 59 R CA -0.884 55.426 56.100 0.349 0.000 0.934 59 R CB 1.355 31.808 30.300 0.256 0.000 1.101 59 R HN 0.481 nan 8.270 nan 0.000 0.469 60 F N 0.471 120.455 119.950 0.056 0.000 2.581 60 F HA 0.620 5.154 4.527 0.012 0.000 0.311 60 F C -1.538 174.108 175.800 -0.256 0.000 1.113 60 F CA -0.626 57.265 58.000 -0.183 0.000 0.935 60 F CB 1.977 40.748 39.000 -0.382 0.000 1.232 60 F HN 0.613 nan 8.300 nan 0.000 0.445 61 A N 4.871 126.999 122.820 -1.154 0.000 2.374 61 A HA 0.557 4.884 4.320 0.012 0.000 0.305 61 A C -2.243 174.452 177.584 -1.482 0.000 1.053 61 A CA -0.526 50.897 52.037 -1.024 0.000 0.726 61 A CB 0.638 19.323 19.000 -0.525 0.000 1.229 61 A HN 0.959 nan 8.150 nan 0.000 0.431 62 W N 3.070 123.548 121.300 -1.369 0.000 2.417 62 W HA 0.721 5.388 4.660 0.012 0.000 0.317 62 W C -1.741 174.159 176.519 -1.032 0.000 1.121 62 W CA -0.291 56.395 57.345 -1.097 0.000 1.208 62 W CB 0.877 29.967 29.460 -0.617 0.000 1.253 62 W HN 0.497 nan 8.180 nan 0.000 0.533 63 F N 6.117 125.449 119.950 -1.029 0.000 2.577 63 F HA 0.380 4.914 4.527 0.012 0.000 0.318 63 F C -1.271 173.658 175.800 -1.452 0.000 1.065 63 F CA -2.279 55.202 58.000 -0.865 0.000 0.929 63 F CB 1.937 40.558 39.000 -0.632 0.000 1.237 63 F HN 0.219 nan 8.300 nan 0.000 0.468 64 P HA 0.172 nan 4.420 nan 0.000 0.241 64 P C -0.464 176.681 177.300 -0.259 0.000 1.191 64 P CA 0.712 63.484 63.100 -0.547 0.000 0.771 64 P CB 0.728 32.427 31.700 -0.000 0.000 0.929 65 A N -0.165 122.520 122.820 -0.226 0.000 2.583 65 A HA 0.492 4.819 4.320 0.012 0.000 0.292 65 A C -2.513 174.964 177.584 -0.179 0.000 1.045 65 A CA -0.861 51.102 52.037 -0.124 0.000 0.672 65 A CB 0.370 19.362 19.000 -0.013 0.000 1.283 65 A HN -0.303 nan 8.150 nan 0.000 0.419 66 P HA -0.065 nan 4.420 nan 0.000 0.221 66 P C 0.705 177.908 177.300 -0.160 0.000 1.150 66 P CA 1.387 64.349 63.100 -0.230 0.000 0.800 66 P CB 0.236 31.738 31.700 -0.331 0.000 0.787 67 E N 0.185 120.349 120.200 -0.060 0.000 2.333 67 E HA -0.058 4.299 4.350 0.012 0.000 0.198 67 E C 1.992 178.533 176.600 -0.099 0.000 1.007 67 E CA 1.177 57.554 56.400 -0.038 0.000 0.845 67 E CB -0.877 28.834 29.700 0.019 0.000 0.766 67 E HN 0.251 nan 8.360 nan 0.000 0.507 68 A N 0.205 122.936 122.820 -0.149 0.000 2.218 68 A HA 0.109 4.436 4.320 0.012 0.000 0.209 68 A C 0.773 178.089 177.584 -0.447 0.000 1.168 68 A CA -0.144 51.803 52.037 -0.150 0.000 0.804 68 A CB 0.356 19.365 19.000 0.015 0.000 0.834 68 A HN 0.045 nan 8.150 nan 0.000 0.482 69 V N 3.279 122.763 119.914 -0.716 0.000 2.555 69 V HA 0.202 4.330 4.120 0.012 0.000 0.286 69 V C -1.944 173.807 176.094 -0.572 0.000 1.044 69 V CA -1.365 60.242 62.300 -1.155 0.000 1.026 69 V CB 0.780 32.024 31.823 -0.965 0.000 0.981 69 V HN 0.381 nan 8.190 nan 0.000 0.480 70 P HA 0.156 nan 4.420 nan 0.000 0.279 70 P C 0.613 177.853 177.300 -0.100 0.000 1.239 70 P CA -0.357 62.632 63.100 -0.185 0.000 0.789 70 P CB 0.979 32.626 31.700 -0.088 0.000 0.933 71 E N 2.164 122.316 120.200 -0.079 0.000 2.160 71 E HA -0.228 4.129 4.350 0.012 0.000 0.195 71 E C 1.479 178.045 176.600 -0.057 0.000 0.991 71 E CA 1.950 58.306 56.400 -0.074 0.000 0.810 71 E CB -0.427 29.236 29.700 -0.061 0.000 0.742 71 E HN 0.425 nan 8.360 nan 0.000 0.466 72 S N -0.006 115.682 115.700 -0.021 0.000 2.400 72 S HA -0.220 4.258 4.470 0.012 0.000 0.232 72 S C 1.725 176.328 174.600 0.006 0.000 1.025 72 S CA 0.859 59.053 58.200 -0.009 0.000 0.993 72 S CB -1.011 62.197 63.200 0.014 0.000 0.808 72 S HN 0.676 nan 8.310 nan 0.000 0.478 73 W N 2.503 123.701 121.300 -0.170 0.000 2.387 73 W HA 0.043 4.710 4.660 0.012 0.000 0.272 73 W C 1.527 177.919 176.519 -0.211 0.000 1.224 73 W CA 0.757 58.000 57.345 -0.170 0.000 1.210 73 W CB -0.350 28.981 29.460 -0.216 0.000 1.125 73 W HN 0.268 nan 8.180 nan 0.000 0.572 74 L N 0.232 121.202 121.223 -0.422 0.000 2.131 74 L HA -0.163 4.184 4.340 0.012 0.000 0.210 74 L C 2.323 178.942 176.870 -0.420 0.000 1.092 74 L CA 1.330 55.767 54.840 -0.670 0.000 0.759 74 L CB -0.636 41.063 42.059 -0.600 0.000 0.903 74 L HN -0.037 nan 8.230 nan 0.000 0.435 75 E N -1.664 118.385 120.200 -0.251 0.000 2.413 75 E HA 0.145 4.502 4.350 0.012 0.000 0.203 75 E C 0.053 176.576 176.600 -0.128 0.000 0.957 75 E CA 0.193 56.499 56.400 -0.157 0.000 0.950 75 E CB 0.841 30.488 29.700 -0.089 0.000 0.957 75 E HN 0.336 nan 8.360 nan 0.000 0.497 76 C N 0.929 120.163 119.300 -0.110 0.000 2.712 76 C HA 0.320 4.788 4.460 0.012 0.000 0.308 76 C C -0.033 174.950 174.990 -0.010 0.000 1.201 76 C CA -1.446 57.542 59.018 -0.050 0.000 1.554 76 C CB 1.691 29.424 27.740 -0.011 0.000 2.117 76 C HN 0.253 nan 8.230 nan 0.000 0.480 77 D N 0.928 121.339 120.400 0.017 0.000 2.472 77 D HA 0.250 4.898 4.640 0.012 0.000 0.237 77 D C -0.633 175.742 176.300 0.124 0.000 1.141 77 D CA 0.297 54.350 54.000 0.089 0.000 0.875 77 D CB 0.574 41.417 40.800 0.070 0.000 1.192 77 D HN 0.376 nan 8.370 nan 0.000 0.450 78 L N 5.619 126.955 121.223 0.188 0.000 2.290 78 L HA 0.272 4.619 4.340 0.012 0.000 0.284 78 L C -1.142 175.784 176.870 0.093 0.000 1.078 78 L CA -1.513 53.414 54.840 0.144 0.000 0.815 78 L CB 1.398 43.552 42.059 0.158 0.000 1.162 78 L HN 0.531 nan 8.230 nan 0.000 0.435 79 P HA -0.237 nan 4.420 nan 0.000 0.216 79 P C 0.884 178.209 177.300 0.041 0.000 1.150 79 P CA 1.298 64.427 63.100 0.048 0.000 0.843 79 P CB 0.061 31.784 31.700 0.037 0.000 0.787 80 E N -0.108 120.112 120.200 0.032 0.000 2.502 80 E HA 0.084 4.441 4.350 0.012 0.000 0.194 80 E C 0.715 177.319 176.600 0.007 0.000 1.062 80 E CA -0.046 56.361 56.400 0.012 0.000 0.867 80 E CB -0.545 29.148 29.700 -0.011 0.000 0.888 80 E HN 0.074 nan 8.360 nan 0.000 0.510 81 A N 1.188 124.024 122.820 0.026 0.000 2.386 81 A HA 0.186 4.513 4.320 0.012 0.000 0.246 81 A C -0.166 177.465 177.584 0.078 0.000 1.089 81 A CA -0.138 51.913 52.037 0.024 0.000 0.790 81 A CB 0.320 19.360 19.000 0.067 0.000 1.042 81 A HN 0.119 nan 8.150 nan 0.000 0.497 82 D N -0.521 119.956 120.400 0.128 0.000 2.340 82 D HA 0.524 5.171 4.640 0.012 0.000 0.243 82 D C -0.582 175.828 176.300 0.184 0.000 0.988 82 D CA 0.016 54.116 54.000 0.166 0.000 0.959 82 D CB 1.411 42.365 40.800 0.257 0.000 1.226 82 D HN 0.392 nan 8.370 nan 0.000 0.509 83 T N 0.500 115.145 114.554 0.151 0.000 2.767 83 T HA 0.527 4.884 4.350 0.012 0.000 0.288 83 T C 0.110 174.901 174.700 0.152 0.000 0.963 83 T CA -0.525 61.672 62.100 0.162 0.000 1.019 83 T CB 0.715 69.655 68.868 0.120 0.000 0.923 83 T HN 0.258 nan 8.240 nan 0.000 0.468 84 V N 0.991 121.026 119.914 0.202 0.000 3.130 84 V HA 0.777 4.904 4.120 0.012 0.000 0.310 84 V C -0.333 175.879 176.094 0.197 0.000 1.158 84 V CA -1.097 61.281 62.300 0.130 0.000 1.029 84 V CB 1.631 33.539 31.823 0.143 0.000 1.057 84 V HN 0.518 nan 8.190 nan 0.000 0.436 85 V N 1.739 121.741 119.914 0.147 0.000 2.583 85 V HA 0.526 4.653 4.120 0.012 0.000 0.287 85 V C -0.042 176.130 176.094 0.130 0.000 1.051 85 V CA -0.025 62.365 62.300 0.151 0.000 1.010 85 V CB 1.427 33.308 31.823 0.096 0.000 0.988 85 V HN 0.743 nan 8.190 nan 0.000 0.478 86 V N 7.286 127.199 119.914 -0.001 0.000 2.588 86 V HA 0.458 4.585 4.120 0.012 0.000 0.304 86 V C -2.289 173.683 176.094 -0.203 0.000 1.042 86 V CA -1.631 60.514 62.300 -0.258 0.000 0.877 86 V CB 2.419 33.700 31.823 -0.903 0.000 0.996 86 V HN 0.755 nan 8.190 nan 0.000 0.425 87 P HA 0.465 nan 4.420 nan 0.000 0.276 87 P C -0.796 176.431 177.300 -0.123 0.000 1.244 87 P CA -0.143 62.824 63.100 -0.222 0.000 0.801 87 P CB 1.477 33.054 31.700 -0.204 0.000 1.006 88 S N 0.140 115.779 115.700 -0.102 0.000 2.595 88 S HA 0.403 4.880 4.470 0.012 0.000 0.270 88 S C -1.270 173.272 174.600 -0.097 0.000 1.145 88 S CA -1.021 57.113 58.200 -0.111 0.000 0.825 88 S CB 0.457 63.559 63.200 -0.165 0.000 1.107 88 S HN 0.366 nan 8.310 nan 0.000 0.461 89 N N 0.918 119.496 118.700 -0.203 0.000 2.408 89 N HA 0.447 5.194 4.740 0.012 0.000 0.280 89 N C 0.480 175.808 175.510 -0.304 0.000 1.002 89 N CA -0.822 52.080 53.050 -0.246 0.000 0.907 89 N CB 0.743 39.057 38.487 -0.289 0.000 1.161 89 N HN 0.862 nan 8.380 nan 0.000 0.488 90 W N 2.444 123.591 121.300 -0.255 0.000 2.465 90 W HA -0.038 4.630 4.660 0.012 0.000 0.268 90 W C 1.011 177.483 176.519 -0.079 0.000 1.242 90 W CA 0.662 57.836 57.345 -0.286 0.000 1.248 90 W CB -0.339 28.930 29.460 -0.318 0.000 1.118 90 W HN 0.514 nan 8.180 nan 0.000 0.587 91 Q N 0.593 120.359 119.800 -0.057 0.000 2.170 91 Q HA -0.136 4.211 4.340 0.012 0.000 0.203 91 Q C 2.195 178.137 176.000 -0.097 0.000 0.976 91 Q CA 2.041 57.815 55.803 -0.048 0.000 0.858 91 Q CB -0.577 28.008 28.738 -0.254 0.000 0.907 91 Q HN 0.268 nan 8.270 nan 0.000 0.433 92 M N -0.795 118.703 119.600 -0.171 0.000 2.460 92 M HA -0.087 4.400 4.480 0.012 0.000 0.263 92 M C 0.784 177.142 176.300 0.096 0.000 1.071 92 M CA 1.484 56.715 55.300 -0.116 0.000 1.096 92 M CB -0.687 31.827 32.600 -0.144 0.000 1.408 92 M HN 0.392 nan 8.290 nan 0.000 0.463 93 H N -0.798 118.296 119.070 0.041 0.000 2.551 93 H HA 0.274 4.837 4.556 0.012 0.000 0.271 93 H C 1.288 176.521 175.328 -0.159 0.000 0.984 93 H CA 0.086 56.145 56.048 0.020 0.000 1.164 93 H CB 0.386 30.278 29.762 0.218 0.000 1.437 93 H HN 0.568 nan 8.280 nan 0.000 0.550 94 G N 0.597 109.408 108.800 0.018 0.000 2.143 94 G HA2 -0.362 3.605 3.960 0.012 0.000 0.249 94 G HA3 -0.362 3.605 3.960 0.012 0.000 0.249 94 G C 0.373 175.154 174.900 -0.198 0.000 0.981 94 G CA 0.309 45.346 45.100 -0.105 0.000 0.665 94 G HN 0.476 nan 8.290 nan 0.000 0.528 95 Y N 1.528 121.844 120.300 0.027 0.000 2.352 95 Y HA 0.258 4.815 4.550 0.012 0.000 0.292 95 Y C 1.644 177.310 175.900 -0.389 0.000 1.136 95 Y CA 1.586 59.591 58.100 -0.159 0.000 1.227 95 Y CB 0.245 38.689 38.460 -0.025 0.000 0.991 95 Y HN 0.663 nan 8.280 nan 0.000 0.545 96 D N -2.000 118.451 120.400 0.085 0.000 2.665 96 D HA 0.482 5.129 4.640 0.012 0.000 0.287 96 D C -1.227 175.145 176.300 0.119 0.000 1.266 96 D CA -0.858 53.192 54.000 0.083 0.000 0.830 96 D CB 0.729 41.702 40.800 0.289 0.000 1.356 96 D HN -0.066 nan 8.370 nan 0.000 0.437 97 A N 0.158 123.054 122.820 0.127 0.000 2.327 97 A HA 0.690 5.017 4.320 0.012 0.000 0.283 97 A C -2.297 175.299 177.584 0.020 0.000 1.127 97 A CA -1.159 50.926 52.037 0.080 0.000 0.810 97 A CB 0.046 19.167 19.000 0.201 0.000 1.066 97 A HN 0.542 nan 8.150 nan 0.000 0.492 98 P HA 0.397 nan 4.420 nan 0.000 0.274 98 P C -0.855 176.622 177.300 0.295 0.000 1.231 98 P CA 0.115 63.163 63.100 -0.087 0.000 0.790 98 P CB 0.745 32.152 31.700 -0.489 0.000 0.951 99 I N 2.194 123.024 120.570 0.433 0.000 2.433 99 I HA 0.239 4.416 4.170 0.012 0.000 0.292 99 I C -0.504 175.784 176.117 0.286 0.000 1.001 99 I CA -0.976 60.562 61.300 0.398 0.000 1.119 99 I CB 1.608 39.782 38.000 0.290 0.000 1.289 99 I HN 0.288 nan 8.210 nan 0.000 0.438 100 Y N 6.175 126.383 120.300 -0.153 0.000 2.593 100 Y HA 0.475 5.032 4.550 0.012 0.000 0.331 100 Y C -0.276 175.445 175.900 -0.298 0.000 0.986 100 Y CA -0.571 57.147 58.100 -0.636 0.000 1.262 100 Y CB 0.990 38.628 38.460 -1.370 0.000 1.098 100 Y HN 0.523 nan 8.280 nan 0.000 0.506 101 T N 5.100 119.143 114.554 -0.852 0.000 2.863 101 T HA 0.275 4.632 4.350 0.012 0.000 0.285 101 T C 0.248 174.460 174.700 -0.812 0.000 1.009 101 T CA -0.568 61.057 62.100 -0.791 0.000 0.989 101 T CB 1.086 69.727 68.868 -0.379 0.000 1.004 101 T HN 0.752 nan 8.240 nan 0.000 0.455 102 N N 2.715 120.985 118.700 -0.718 0.000 2.288 102 N HA 0.056 4.803 4.740 0.012 0.000 0.199 102 N C 1.608 176.837 175.510 -0.469 0.000 1.043 102 N CA 1.444 54.202 53.050 -0.487 0.000 0.947 102 N CB -0.669 37.553 38.487 -0.441 0.000 1.140 102 N HN 0.390 nan 8.380 nan 0.000 0.490 103 V N 0.476 120.046 119.914 -0.573 0.000 2.426 103 V HA 0.084 4.212 4.120 0.012 0.000 0.242 103 V C 0.466 176.235 176.094 -0.541 0.000 1.036 103 V CA 0.985 62.859 62.300 -0.711 0.000 1.044 103 V CB -0.802 30.504 31.823 -0.862 0.000 0.688 103 V HN 0.343 nan 8.190 nan 0.000 0.462 104 T N 0.985 115.295 114.554 -0.407 0.000 2.867 104 T HA 0.143 4.500 4.350 0.012 0.000 0.297 104 T C -0.304 174.258 174.700 -0.231 0.000 0.989 104 T CA 0.220 62.163 62.100 -0.262 0.000 1.159 104 T CB -0.226 68.520 68.868 -0.203 0.000 0.928 104 T HN 0.180 nan 8.240 nan 0.000 0.538 105 Y N 4.684 124.878 120.300 -0.177 0.000 2.652 105 Y HA 0.090 4.648 4.550 0.012 0.000 0.344 105 Y C -0.741 175.025 175.900 -0.223 0.000 1.254 105 Y CA -1.510 56.476 58.100 -0.190 0.000 1.480 105 Y CB 0.405 38.748 38.460 -0.195 0.000 1.345 105 Y HN 0.514 nan 8.280 nan 0.000 0.617 106 P HA 0.008 nan 4.420 nan 0.000 0.241 106 P C -0.343 176.710 177.300 -0.412 0.000 1.191 106 P CA 1.082 64.060 63.100 -0.204 0.000 0.771 106 P CB 0.061 31.679 31.700 -0.136 0.000 0.929 107 I N -5.069 115.231 120.570 -0.451 0.000 3.002 107 I HA 0.490 4.667 4.170 0.012 0.000 0.310 107 I C -0.546 175.428 176.117 -0.240 0.000 1.087 107 I CA -1.236 59.779 61.300 -0.476 0.000 1.017 107 I CB 1.677 39.242 38.000 -0.726 0.000 1.226 107 I HN -0.460 nan 8.210 nan 0.000 0.443 108 T N 2.825 117.286 114.554 -0.155 0.000 2.934 108 T HA 0.126 4.484 4.350 0.012 0.000 0.306 108 T C 0.215 174.894 174.700 -0.035 0.000 1.042 108 T CA -0.182 61.880 62.100 -0.063 0.000 1.145 108 T CB 0.508 69.364 68.868 -0.019 0.000 0.982 108 T HN 0.377 nan 8.240 nan 0.000 0.544 109 V N 4.951 124.860 119.914 -0.009 0.000 2.370 109 V HA 0.237 4.364 4.120 0.012 0.000 0.257 109 V C 0.679 176.816 176.094 0.071 0.000 1.064 109 V CA -0.228 62.087 62.300 0.026 0.000 0.975 109 V CB -0.204 31.616 31.823 -0.005 0.000 1.067 109 V HN 0.870 nan 8.190 nan 0.000 0.485 110 N N 6.066 124.865 118.700 0.166 0.000 2.666 110 N HA 0.251 4.998 4.740 0.012 0.000 0.253 110 N C -2.914 172.665 175.510 0.114 0.000 1.621 110 N CA -1.193 51.946 53.050 0.147 0.000 0.785 110 N CB 1.532 40.143 38.487 0.206 0.000 1.332 110 N HN 0.279 nan 8.380 nan 0.000 0.514 111 P HA 0.227 nan 4.420 nan 0.000 0.268 111 P C -2.273 174.788 177.300 -0.397 0.000 1.205 111 P CA -0.739 61.964 63.100 -0.661 0.000 0.771 111 P CB 0.706 31.892 31.700 -0.857 0.000 0.858 112 P HA 0.252 nan 4.420 nan 0.000 0.266 112 P C -0.428 176.751 177.300 -0.201 0.000 1.561 112 P CA -0.289 62.574 63.100 -0.394 0.000 1.089 112 P CB -0.013 31.443 31.700 -0.407 0.000 1.534 113 F N 0.920 120.976 119.950 0.176 0.000 2.371 113 F HA 0.326 4.860 4.527 0.012 0.000 0.329 113 F C 1.367 177.334 175.800 0.279 0.000 1.107 113 F CA -0.848 57.268 58.000 0.192 0.000 1.137 113 F CB 0.993 40.055 39.000 0.103 0.000 1.214 113 F HN -0.212 nan 8.300 nan 0.000 0.536 114 V N -0.819 119.372 119.914 0.460 0.000 3.158 114 V HA 0.685 4.813 4.120 0.012 0.000 0.315 114 V C -2.762 173.485 176.094 0.255 0.000 1.148 114 V CA -2.937 59.552 62.300 0.314 0.000 1.042 114 V CB 1.259 33.329 31.823 0.411 0.000 1.101 114 V HN 0.451 nan 8.190 nan 0.000 0.448 115 P HA 0.198 nan 4.420 nan 0.000 0.267 115 P C 0.975 178.408 177.300 0.221 0.000 1.200 115 P CA 0.472 63.658 63.100 0.143 0.000 0.772 115 P CB 0.526 32.286 31.700 0.099 0.000 0.855 116 T N -1.807 112.848 114.554 0.168 0.000 2.995 116 T HA -0.037 4.320 4.350 0.012 0.000 0.269 116 T C 0.529 175.335 174.700 0.177 0.000 1.091 116 T CA 0.721 62.929 62.100 0.180 0.000 1.128 116 T CB -0.300 68.641 68.868 0.121 0.000 0.891 116 T HN 0.248 nan 8.240 nan 0.000 0.492 117 E N 3.119 123.424 120.200 0.176 0.000 1.996 117 E HA 0.370 4.727 4.350 0.012 0.000 0.280 117 E C -0.772 175.987 176.600 0.264 0.000 1.092 117 E CA -0.246 56.264 56.400 0.183 0.000 0.862 117 E CB 0.393 30.209 29.700 0.193 0.000 1.066 117 E HN 0.317 nan 8.360 nan 0.000 0.396 118 N N 3.927 122.754 118.700 0.212 0.000 2.617 118 N HA 0.271 5.018 4.740 0.012 0.000 0.263 118 N C -2.894 172.641 175.510 0.041 0.000 1.074 118 N CA -2.353 50.857 53.050 0.266 0.000 0.841 118 N CB 1.201 39.843 38.487 0.259 0.000 1.221 118 N HN -0.049 nan 8.380 nan 0.000 0.529 119 P HA 0.005 nan 4.420 nan 0.000 0.260 119 P C -0.838 176.355 177.300 -0.178 0.000 1.172 119 P CA 0.560 63.587 63.100 -0.122 0.000 0.760 119 P CB 0.421 32.364 31.700 0.404 0.000 0.773 120 T N 2.860 117.050 114.554 -0.607 0.000 2.812 120 T HA 0.544 4.902 4.350 0.012 0.000 0.282 120 T C 0.262 174.476 174.700 -0.810 0.000 0.990 120 T CA -0.562 61.251 62.100 -0.477 0.000 0.960 120 T CB 1.487 70.111 68.868 -0.408 0.000 0.948 120 T HN 0.333 nan 8.240 nan 0.000 0.438 121 G N 1.156 109.537 108.800 -0.698 0.000 2.347 121 G HA2 0.456 4.423 3.960 0.012 0.000 0.314 121 G HA3 0.456 4.423 3.960 0.012 0.000 0.314 121 G C -0.151 174.516 174.900 -0.388 0.000 1.126 121 G CA -0.364 44.230 45.100 -0.844 0.000 0.929 121 G HN 0.871 nan 8.290 nan 0.000 0.441 122 C N 3.567 122.411 119.300 -0.761 0.000 2.200 122 C HA 0.411 4.878 4.460 0.012 0.000 0.328 122 C C -0.363 174.580 174.990 -0.078 0.000 1.148 122 C CA -0.935 57.752 59.018 -0.552 0.000 1.624 122 C CB -1.933 25.025 27.740 -1.305 0.000 2.167 122 C HN 0.625 nan 8.230 nan 0.000 0.484 123 Y N 2.004 122.575 120.300 0.451 0.000 2.387 123 Y HA 0.609 5.167 4.550 0.012 0.000 0.330 123 Y C 0.860 177.206 175.900 0.743 0.000 1.133 123 Y CA 0.005 58.488 58.100 0.637 0.000 1.152 123 Y CB 1.410 40.247 38.460 0.628 0.000 1.215 123 Y HN 0.667 nan 8.280 nan 0.000 0.466 124 S N 2.351 118.529 115.700 0.798 0.000 2.570 124 S HA 0.803 5.280 4.470 0.012 0.000 0.270 124 S C -1.930 172.753 174.600 0.137 0.000 1.149 124 S CA -0.825 57.627 58.200 0.420 0.000 0.837 124 S CB 2.082 65.429 63.200 0.246 0.000 1.124 124 S HN 0.631 nan 8.310 nan 0.000 0.465 125 L N 0.699 121.827 121.223 -0.158 0.000 2.513 125 L HA 0.755 5.102 4.340 0.012 0.000 0.261 125 L C -1.173 175.654 176.870 -0.073 0.000 0.945 125 L CA 0.121 54.723 54.840 -0.396 0.000 0.848 125 L CB 2.309 43.588 42.059 -1.301 0.000 1.334 125 L HN 0.899 nan 8.230 nan 0.000 0.407 126 T N 5.433 119.964 114.554 -0.039 0.000 2.771 126 T HA 0.755 5.112 4.350 0.012 0.000 0.281 126 T C -0.913 173.819 174.700 0.054 0.000 0.982 126 T CA -0.007 62.095 62.100 0.004 0.000 0.978 126 T CB 0.298 69.140 68.868 -0.043 0.000 0.930 126 T HN 0.470 nan 8.240 nan 0.000 0.447 127 F N 1.087 120.940 119.950 -0.163 0.000 2.662 127 F HA 0.741 5.275 4.527 0.012 0.000 0.312 127 F C -0.749 174.972 175.800 -0.132 0.000 1.113 127 F CA -1.540 56.363 58.000 -0.161 0.000 0.951 127 F CB 1.309 40.190 39.000 -0.198 0.000 1.344 127 F HN 0.332 nan 8.300 nan 0.000 0.462 128 N N 0.424 119.046 118.700 -0.130 0.000 2.509 128 N HA 0.639 5.386 4.740 0.012 0.000 0.287 128 N C -1.809 173.577 175.510 -0.208 0.000 1.121 128 N CA -0.376 52.548 53.050 -0.211 0.000 0.977 128 N CB 1.829 40.243 38.487 -0.122 0.000 1.167 128 N HN 0.642 nan 8.380 nan 0.000 0.476 129 V N 2.210 121.971 119.914 -0.255 0.000 2.623 129 V HA 0.286 4.413 4.120 0.012 0.000 0.304 129 V C -0.900 175.077 176.094 -0.196 0.000 1.054 129 V CA -0.993 61.157 62.300 -0.250 0.000 0.882 129 V CB 1.698 33.433 31.823 -0.145 0.000 1.002 129 V HN 0.678 nan 8.190 nan 0.000 0.424 130 D N 2.312 122.556 120.400 -0.260 0.000 2.345 130 D HA 0.137 4.784 4.640 0.012 0.000 0.247 130 D C 1.114 177.429 176.300 0.025 0.000 1.108 130 D CA -0.100 53.837 54.000 -0.105 0.000 0.894 130 D CB 1.714 42.461 40.800 -0.088 0.000 1.203 130 D HN 0.798 nan 8.370 nan 0.000 0.430 131 E N 1.085 121.308 120.200 0.038 0.000 2.160 131 E HA -0.230 4.127 4.350 0.012 0.000 0.195 131 E C 1.465 178.138 176.600 0.121 0.000 0.991 131 E CA 1.417 57.859 56.400 0.070 0.000 0.810 131 E CB 0.189 29.913 29.700 0.039 0.000 0.742 131 E HN 0.439 nan 8.360 nan 0.000 0.466 132 S N -0.286 115.498 115.700 0.140 0.000 2.383 132 S HA -0.189 4.288 4.470 0.012 0.000 0.229 132 S C 1.530 176.217 174.600 0.144 0.000 1.030 132 S CA 1.052 59.331 58.200 0.131 0.000 1.002 132 S CB -0.803 62.474 63.200 0.129 0.000 0.829 132 S HN 0.457 nan 8.310 nan 0.000 0.467 133 W N 1.607 122.859 121.300 -0.081 0.000 2.465 133 W HA 0.337 5.004 4.660 0.012 0.000 0.268 133 W C 1.804 178.407 176.519 0.141 0.000 1.242 133 W CA -0.019 57.292 57.345 -0.057 0.000 1.248 133 W CB -0.476 29.031 29.460 0.079 0.000 1.118 133 W HN 0.315 nan 8.180 nan 0.000 0.587 134 L N -0.245 121.158 121.223 0.300 0.000 2.616 134 L HA 0.071 4.418 4.340 0.012 0.000 0.229 134 L C 2.151 179.110 176.870 0.148 0.000 1.110 134 L CA 0.208 55.180 54.840 0.221 0.000 0.884 134 L CB -0.390 41.766 42.059 0.161 0.000 1.115 134 L HN -0.123 nan 8.230 nan 0.000 0.481 135 Q N 1.154 121.028 119.800 0.123 0.000 2.311 135 Q HA -0.002 4.345 4.340 0.012 0.000 0.203 135 Q C 0.287 176.336 176.000 0.081 0.000 0.954 135 Q CA 0.735 56.585 55.803 0.080 0.000 0.885 135 Q CB 0.434 29.205 28.738 0.054 0.000 0.963 135 Q HN 0.659 nan 8.270 nan 0.000 0.471 136 E N -1.866 118.405 120.200 0.118 0.000 2.430 136 E HA 0.513 4.870 4.350 0.012 0.000 0.279 136 E C -0.128 176.594 176.600 0.203 0.000 1.003 136 E CA -0.429 56.040 56.400 0.115 0.000 0.801 136 E CB 1.496 31.244 29.700 0.079 0.000 1.313 136 E HN 0.042 nan 8.360 nan 0.000 0.459 137 G N 0.807 109.659 108.800 0.087 0.000 2.698 137 G HA2 -0.280 3.687 3.960 0.012 0.000 0.233 137 G HA3 -0.280 3.687 3.960 0.012 0.000 0.233 137 G C -0.744 174.076 174.900 -0.133 0.000 1.352 137 G CA 0.181 45.247 45.100 -0.057 0.000 0.879 137 G HN 0.767 nan 8.290 nan 0.000 0.567 138 Q N -0.551 119.011 119.800 -0.397 0.000 2.340 138 Q HA 0.637 4.984 4.340 0.012 0.000 0.268 138 Q C -0.998 174.836 176.000 -0.277 0.000 1.031 138 Q CA -0.483 55.186 55.803 -0.224 0.000 0.804 138 Q CB 1.592 30.236 28.738 -0.156 0.000 1.286 138 Q HN 0.619 nan 8.270 nan 0.000 0.448 139 T N 4.786 119.348 114.554 0.014 0.000 2.770 139 T HA 0.486 4.843 4.350 0.012 0.000 0.283 139 T C -0.663 174.146 174.700 0.182 0.000 0.988 139 T CA -0.656 61.551 62.100 0.178 0.000 0.957 139 T CB 0.626 69.741 68.868 0.413 0.000 0.930 139 T HN 0.644 nan 8.240 nan 0.000 0.443 140 R N 2.835 123.432 120.500 0.163 0.000 2.832 140 R HA 0.799 5.146 4.340 0.012 0.000 0.271 140 R C -1.008 175.392 176.300 0.166 0.000 0.996 140 R CA -0.980 55.215 56.100 0.159 0.000 0.977 140 R CB 1.498 31.866 30.300 0.114 0.000 1.168 140 R HN 0.567 nan 8.270 nan 0.000 0.482 141 I N 1.982 122.653 120.570 0.168 0.000 2.525 141 I HA 0.467 4.644 4.170 0.012 0.000 0.301 141 I C -1.090 175.085 176.117 0.098 0.000 0.992 141 I CA -1.311 60.043 61.300 0.091 0.000 1.162 141 I CB 1.454 39.505 38.000 0.085 0.000 1.332 141 I HN 0.616 nan 8.210 nan 0.000 0.458 142 I N 6.953 127.481 120.570 -0.071 0.000 2.447 142 I HA 0.293 4.470 4.170 0.012 0.000 0.287 142 I C -1.364 174.617 176.117 -0.226 0.000 1.023 142 I CA -0.379 60.895 61.300 -0.043 0.000 1.083 142 I CB 1.601 39.578 38.000 -0.038 0.000 1.245 142 I HN 0.388 nan 8.210 nan 0.000 0.434 143 F N 4.472 124.426 119.950 0.006 0.000 2.332 143 F HA 0.278 4.812 4.527 0.012 0.000 0.368 143 F C 1.287 176.987 175.800 -0.166 0.000 1.110 143 F CA -0.445 57.487 58.000 -0.113 0.000 1.087 143 F CB 0.859 39.770 39.000 -0.149 0.000 1.235 143 F HN 0.448 nan 8.300 nan 0.000 0.470 144 D N 2.337 122.652 120.400 -0.141 0.000 2.310 144 D HA 0.063 4.711 4.640 0.012 0.000 0.212 144 D C 0.948 177.086 176.300 -0.271 0.000 0.965 144 D CA 0.826 54.703 54.000 -0.206 0.000 0.879 144 D CB 0.433 41.053 40.800 -0.301 0.000 0.921 144 D HN 0.624 nan 8.370 nan 0.000 0.510 145 G N -0.411 108.170 108.800 -0.365 0.000 2.505 145 G HA2 0.434 4.401 3.960 0.012 0.000 0.292 145 G HA3 0.434 4.401 3.960 0.012 0.000 0.292 145 G C -1.470 173.171 174.900 -0.432 0.000 1.332 145 G CA -0.412 44.351 45.100 -0.560 0.000 1.286 145 G HN -0.062 nan 8.290 nan 0.000 0.606 146 V N 2.529 122.401 119.914 -0.069 0.000 2.569 146 V HA 0.544 4.671 4.120 0.012 0.000 0.301 146 V C -0.889 175.296 176.094 0.151 0.000 1.044 146 V CA -1.153 61.105 62.300 -0.070 0.000 0.874 146 V CB 1.951 33.444 31.823 -0.550 0.000 1.002 146 V HN 0.718 nan 8.190 nan 0.000 0.424 147 N N 2.518 121.302 118.700 0.140 0.000 2.443 147 N HA 0.353 5.101 4.740 0.012 0.000 0.269 147 N C 0.538 175.994 175.510 -0.090 0.000 0.985 147 N CA 0.131 53.176 53.050 -0.008 0.000 0.921 147 N CB 2.287 40.615 38.487 -0.264 0.000 1.195 147 N HN 0.658 nan 8.380 nan 0.000 0.492 148 S N 1.909 117.596 115.700 -0.023 0.000 2.526 148 S HA 0.594 5.071 4.470 0.012 0.000 0.220 148 S C 0.306 174.980 174.600 0.122 0.000 1.017 148 S CA 0.108 58.343 58.200 0.057 0.000 0.930 148 S CB 0.331 63.582 63.200 0.085 0.000 0.856 148 S HN 0.694 nan 8.310 nan 0.000 0.497 149 A N 0.856 123.765 122.820 0.148 0.000 2.605 149 A HA 0.750 5.077 4.320 0.012 0.000 0.294 149 A C -1.340 176.367 177.584 0.205 0.000 1.062 149 A CA -0.987 51.109 52.037 0.098 0.000 0.682 149 A CB 0.782 19.884 19.000 0.170 0.000 1.278 149 A HN 1.094 nan 8.150 nan 0.000 0.410 150 F N -0.401 119.374 119.950 -0.291 0.000 2.678 150 F HA 0.743 5.277 4.527 0.012 0.000 0.308 150 F C -1.136 174.571 175.800 -0.155 0.000 1.118 150 F CA -0.800 57.128 58.000 -0.120 0.000 0.959 150 F CB 1.183 40.093 39.000 -0.150 0.000 1.305 150 F HN 0.628 nan 8.300 nan 0.000 0.443 151 H N 2.139 121.399 119.070 0.316 0.000 2.472 151 H HA 0.696 5.259 4.556 0.012 0.000 0.338 151 H C -1.415 173.888 175.328 -0.041 0.000 1.133 151 H CA -0.721 55.368 56.048 0.070 0.000 1.216 151 H CB 2.515 32.297 29.762 0.033 0.000 1.497 151 H HN 0.781 nan 8.280 nan 0.000 0.500 152 L N 3.086 124.080 121.223 -0.381 0.000 2.385 152 L HA 0.407 4.754 4.340 0.012 0.000 0.273 152 L C -1.596 174.952 176.870 -0.537 0.000 0.990 152 L CA -0.500 54.161 54.840 -0.298 0.000 0.821 152 L CB 1.453 43.200 42.059 -0.521 0.000 1.279 152 L HN 0.515 nan 8.230 nan 0.000 0.412 153 W N 4.339 125.585 121.300 -0.089 0.000 2.844 153 W HA 0.585 5.252 4.660 0.012 0.000 0.340 153 W C -1.133 175.318 176.519 -0.113 0.000 1.093 153 W CA -0.822 56.466 57.345 -0.094 0.000 1.212 153 W CB 2.055 31.491 29.460 -0.041 0.000 1.422 153 W HN 0.579 nan 8.180 nan 0.000 0.515 154 C N 4.732 124.097 119.300 0.108 0.000 2.364 154 C HA 0.298 4.765 4.460 0.012 0.000 0.324 154 C C 0.268 175.378 174.990 0.200 0.000 1.234 154 C CA -0.336 58.751 59.018 0.115 0.000 1.417 154 C CB -0.615 27.118 27.740 -0.012 0.000 2.101 154 C HN 0.803 nan 8.230 nan 0.000 0.466 155 N N 3.590 122.368 118.700 0.130 0.000 2.727 155 N HA -0.187 4.560 4.740 0.012 0.000 0.249 155 N C 0.966 176.539 175.510 0.105 0.000 1.048 155 N CA 1.996 55.100 53.050 0.091 0.000 0.714 155 N CB -1.314 37.234 38.487 0.102 0.000 0.959 155 N HN 1.803 nan 8.380 nan 0.000 0.544 156 G N -1.195 107.658 108.800 0.088 0.000 2.184 156 G HA2 -0.374 3.593 3.960 0.012 0.000 0.264 156 G HA3 -0.374 3.593 3.960 0.012 0.000 0.264 156 G C 0.138 175.196 174.900 0.262 0.000 0.975 156 G CA 0.690 45.836 45.100 0.076 0.000 0.642 156 G HN 0.548 nan 8.290 nan 0.000 0.536 157 R N -0.934 119.792 120.500 0.377 0.000 2.346 157 R HA 0.400 4.747 4.340 0.012 0.000 0.311 157 R C -0.271 176.355 176.300 0.543 0.000 0.983 157 R CA -0.862 55.534 56.100 0.493 0.000 0.880 157 R CB 1.059 31.671 30.300 0.519 0.000 1.100 157 R HN 0.212 nan 8.270 nan 0.000 0.453 158 W N 3.795 125.251 121.300 0.261 0.000 2.251 158 W HA 0.066 4.733 4.660 0.012 0.000 0.327 158 W C 0.118 176.544 176.519 -0.156 0.000 1.361 158 W CA 0.102 57.285 57.345 -0.270 0.000 1.234 158 W CB 0.690 29.987 29.460 -0.272 0.000 1.212 158 W HN 0.329 nan 8.180 nan 0.000 0.557 159 V N 5.252 124.419 119.914 -1.245 0.000 2.743 159 V HA 0.538 4.665 4.120 0.012 0.000 0.237 159 V C 1.049 176.097 176.094 -1.742 0.000 1.113 159 V CA 1.062 62.593 62.300 -1.281 0.000 1.141 159 V CB -0.235 30.864 31.823 -1.207 0.000 0.873 159 V HN 0.832 nan 8.190 nan 0.000 0.486 160 G N -1.715 105.811 108.800 -2.123 0.000 2.341 160 G HA2 0.442 4.410 3.960 0.012 0.000 0.299 160 G HA3 0.442 4.410 3.960 0.012 0.000 0.299 160 G C -2.386 172.053 174.900 -0.769 0.000 1.274 160 G CA -0.144 44.098 45.100 -1.430 0.000 0.853 160 G HN 0.028 nan 8.290 nan 0.000 0.493 161 Y N -0.580 119.444 120.300 -0.460 0.000 2.581 161 Y HA 0.692 5.249 4.550 0.012 0.000 0.337 161 Y C -0.125 175.535 175.900 -0.399 0.000 1.108 161 Y CA 0.004 57.775 58.100 -0.548 0.000 1.033 161 Y CB 2.059 40.346 38.460 -0.289 0.000 1.318 161 Y HN 1.352 nan 8.280 nan 0.000 0.459 162 G N 3.311 111.254 108.800 -1.428 0.000 2.704 162 G HA2 0.600 4.567 3.960 0.012 0.000 0.293 162 G HA3 0.600 4.567 3.960 0.012 0.000 0.293 162 G C -2.126 172.323 174.900 -0.751 0.000 1.421 162 G CA -0.859 43.732 45.100 -0.849 0.000 0.870 162 G HN 0.625 nan 8.290 nan 0.000 0.492 163 Q N -0.507 119.103 119.800 -0.317 0.000 2.668 163 Q HA 0.576 4.923 4.340 0.012 0.000 0.298 163 Q C -1.482 174.520 176.000 0.004 0.000 1.071 163 Q CA -0.818 54.923 55.803 -0.103 0.000 0.789 163 Q CB 2.709 31.429 28.738 -0.030 0.000 1.497 163 Q HN 0.651 nan 8.270 nan 0.000 0.460 164 D N -0.211 120.230 120.400 0.067 0.000 4.303 164 D HA -0.094 4.553 4.640 0.012 0.000 0.230 164 D C -0.463 175.904 176.300 0.111 0.000 1.172 164 D CA 0.482 54.535 54.000 0.088 0.000 1.001 164 D CB -0.635 40.199 40.800 0.057 0.000 0.641 164 D HN 0.524 nan 8.370 nan 0.000 0.296 165 S N 2.968 118.748 115.700 0.133 0.000 2.500 165 S HA -0.083 4.394 4.470 0.012 0.000 0.239 165 S C 1.568 176.305 174.600 0.228 0.000 0.989 165 S CA 0.638 58.943 58.200 0.176 0.000 0.951 165 S CB 0.238 63.500 63.200 0.104 0.000 0.759 165 S HN 0.440 nan 8.310 nan 0.000 0.523 166 R N 0.053 120.648 120.500 0.157 0.000 2.543 166 R HA 0.440 4.787 4.340 0.012 0.000 0.323 166 R C -0.363 175.997 176.300 0.100 0.000 1.002 166 R CA 0.047 56.239 56.100 0.153 0.000 1.106 166 R CB 0.153 30.560 30.300 0.179 0.000 1.280 166 R HN 0.324 nan 8.270 nan 0.000 0.549 167 L N 1.355 122.610 121.223 0.053 0.000 2.350 167 L HA 0.533 4.880 4.340 0.012 0.000 0.260 167 L C -2.350 174.501 176.870 -0.032 0.000 1.015 167 L CA -2.270 52.571 54.840 0.001 0.000 0.821 167 L CB 2.973 45.025 42.059 -0.012 0.000 1.370 167 L HN -0.198 nan 8.230 nan 0.000 0.416 168 P HA 0.121 nan 4.420 nan 0.000 0.276 168 P C -1.029 176.233 177.300 -0.062 0.000 1.230 168 P CA -0.232 62.823 63.100 -0.075 0.000 0.776 168 P CB 1.308 32.926 31.700 -0.136 0.000 0.888 169 S N 2.080 117.803 115.700 0.039 0.000 2.449 169 S HA 0.325 4.802 4.470 0.012 0.000 0.310 169 S C -0.389 174.169 174.600 -0.071 0.000 1.096 169 S CA -0.570 57.610 58.200 -0.034 0.000 1.095 169 S CB 0.866 64.203 63.200 0.227 0.000 1.007 169 S HN 0.376 nan 8.310 nan 0.000 0.474 170 E N 2.012 121.953 120.200 -0.431 0.000 2.238 170 E HA 0.553 4.910 4.350 0.012 0.000 0.267 170 E C -1.473 174.729 176.600 -0.662 0.000 0.887 170 E CA -0.579 55.653 56.400 -0.279 0.000 0.769 170 E CB 1.834 31.479 29.700 -0.092 0.000 1.187 170 E HN 0.414 nan 8.360 nan 0.000 0.416 171 F N 0.638 120.634 119.950 0.077 0.000 2.569 171 F HA 0.194 4.729 4.527 0.012 0.000 0.312 171 F C -0.013 175.803 175.800 0.027 0.000 1.109 171 F CA -1.095 56.910 58.000 0.009 0.000 0.919 171 F CB 1.684 40.654 39.000 -0.051 0.000 1.211 171 F HN 0.290 nan 8.300 nan 0.000 0.446 172 D N 3.062 123.584 120.400 0.204 0.000 2.317 172 D HA 0.216 4.863 4.640 0.012 0.000 0.252 172 D C 0.252 176.687 176.300 0.225 0.000 1.174 172 D CA 0.285 54.391 54.000 0.177 0.000 0.866 172 D CB 1.038 41.926 40.800 0.147 0.000 1.127 172 D HN 0.573 nan 8.370 nan 0.000 0.467 173 L N 2.896 124.257 121.223 0.231 0.000 2.667 173 L HA 0.040 4.388 4.340 0.012 0.000 0.232 173 L C 2.027 179.132 176.870 0.392 0.000 1.138 173 L CA -0.168 54.851 54.840 0.299 0.000 0.921 173 L CB 0.071 42.264 42.059 0.224 0.000 1.180 173 L HN 0.286 nan 8.230 nan 0.000 0.487 174 S N 1.409 117.284 115.700 0.290 0.000 2.372 174 S HA -0.276 4.201 4.470 0.012 0.000 0.227 174 S C 2.063 176.772 174.600 0.182 0.000 1.044 174 S CA 1.851 60.179 58.200 0.212 0.000 1.050 174 S CB -0.154 63.126 63.200 0.133 0.000 0.901 174 S HN 0.569 nan 8.310 nan 0.000 0.447 175 A N -0.456 122.457 122.820 0.156 0.000 2.208 175 A HA 0.298 4.625 4.320 0.012 0.000 0.209 175 A C 1.406 178.888 177.584 -0.169 0.000 1.161 175 A CA 0.412 52.418 52.037 -0.051 0.000 0.782 175 A CB -0.468 18.418 19.000 -0.189 0.000 0.816 175 A HN 0.480 nan 8.150 nan 0.000 0.477 176 F N -0.596 119.395 119.950 0.068 0.000 2.717 176 F HA 0.348 4.882 4.527 0.012 0.000 0.295 176 F C 0.724 176.561 175.800 0.060 0.000 1.117 176 F CA -0.057 57.982 58.000 0.066 0.000 1.361 176 F CB 0.066 39.111 39.000 0.076 0.000 1.112 176 F HN -0.020 nan 8.300 nan 0.000 0.594 177 L N 0.897 122.275 121.223 0.257 0.000 2.439 177 L HA 0.513 4.860 4.340 0.012 0.000 0.259 177 L C 0.125 177.039 176.870 0.074 0.000 1.129 177 L CA -0.729 54.202 54.840 0.151 0.000 0.803 177 L CB 1.130 43.289 42.059 0.167 0.000 1.161 177 L HN 0.025 nan 8.230 nan 0.000 0.462 178 R N 0.877 121.384 120.500 0.011 0.000 2.808 178 R HA 0.803 5.150 4.340 0.012 0.000 0.272 178 R C -1.068 175.210 176.300 -0.037 0.000 0.995 178 R CA -0.927 55.170 56.100 -0.005 0.000 0.917 178 R CB 1.436 31.726 30.300 -0.016 0.000 1.217 178 R HN 0.549 nan 8.270 nan 0.000 0.471 179 A N 1.237 124.044 122.820 -0.021 0.000 2.531 179 A HA 0.448 4.775 4.320 0.012 0.000 0.236 179 A C 1.177 178.714 177.584 -0.079 0.000 1.062 179 A CA 1.119 53.134 52.037 -0.037 0.000 0.760 179 A CB -0.870 18.121 19.000 -0.015 0.000 0.995 179 A HN 1.410 nan 8.150 nan 0.000 0.501 180 G N 1.668 110.404 108.800 -0.105 0.000 2.527 180 G HA2 -0.206 3.761 3.960 0.012 0.000 0.262 180 G HA3 -0.206 3.761 3.960 0.012 0.000 0.262 180 G C -0.136 174.643 174.900 -0.203 0.000 1.153 180 G CA 0.280 45.302 45.100 -0.129 0.000 0.954 180 G HN 1.083 nan 8.290 nan 0.000 0.552 181 E N 1.936 122.022 120.200 -0.189 0.000 2.316 181 E HA 0.449 4.806 4.350 0.012 0.000 0.275 181 E C -0.022 176.384 176.600 -0.324 0.000 1.029 181 E CA -0.044 56.203 56.400 -0.255 0.000 0.871 181 E CB 0.579 30.177 29.700 -0.169 0.000 1.022 181 E HN 0.449 nan 8.360 nan 0.000 0.418 182 N N 2.102 120.467 118.700 -0.560 0.000 2.357 182 N HA 0.382 5.129 4.740 0.012 0.000 0.284 182 N C -1.097 174.157 175.510 -0.427 0.000 1.236 182 N CA -0.786 51.936 53.050 -0.545 0.000 0.774 182 N CB 2.532 40.542 38.487 -0.794 0.000 1.534 182 N HN 0.312 nan 8.380 nan 0.000 0.478 183 R N 1.483 121.911 120.500 -0.120 0.000 2.532 183 R HA 0.485 4.832 4.340 0.012 0.000 0.297 183 R C -1.286 175.103 176.300 0.148 0.000 0.984 183 R CA -0.493 55.626 56.100 0.032 0.000 0.884 183 R CB 0.910 31.185 30.300 -0.042 0.000 1.182 183 R HN 0.473 nan 8.270 nan 0.000 0.442 184 L N 3.151 124.503 121.223 0.215 0.000 2.357 184 L HA 0.736 5.083 4.340 0.012 0.000 0.273 184 L C -0.144 176.780 176.870 0.090 0.000 1.080 184 L CA -0.946 53.998 54.840 0.174 0.000 0.803 184 L CB 1.841 43.983 42.059 0.138 0.000 1.174 184 L HN 0.796 nan 8.230 nan 0.000 0.443 185 A N 2.892 125.770 122.820 0.096 0.000 2.353 185 A HA 0.734 5.061 4.320 0.012 0.000 0.299 185 A C -1.007 176.813 177.584 0.392 0.000 1.089 185 A CA -0.449 51.538 52.037 -0.082 0.000 0.736 185 A CB 1.475 19.891 19.000 -0.974 0.000 1.195 185 A HN 0.376 nan 8.150 nan 0.000 0.447 186 V N 3.252 123.580 119.914 0.690 0.000 2.407 186 V HA 0.464 4.592 4.120 0.012 0.000 0.291 186 V C -0.083 176.534 176.094 0.871 0.000 1.018 186 V CA -0.305 62.403 62.300 0.680 0.000 0.842 186 V CB 1.484 33.538 31.823 0.384 0.000 0.996 186 V HN 0.970 nan 8.190 nan 0.000 0.426 187 M N 6.069 126.210 119.600 0.902 0.000 2.069 187 M HA 0.555 5.042 4.480 0.012 0.000 0.349 187 M C -1.401 175.164 176.300 0.441 0.000 1.194 187 M CA -0.297 55.381 55.300 0.630 0.000 1.081 187 M CB 0.965 34.010 32.600 0.741 0.000 1.500 187 M HN 0.485 nan 8.290 nan 0.000 0.438 188 V N 6.801 126.929 119.914 0.356 0.000 2.394 188 V HA 0.376 4.503 4.120 0.012 0.000 0.282 188 V C -0.197 176.065 176.094 0.279 0.000 1.031 188 V CA -0.692 61.820 62.300 0.354 0.000 0.881 188 V CB 1.430 33.545 31.823 0.487 0.000 0.982 188 V HN 0.788 nan 8.190 nan 0.000 0.451 189 L N 4.962 126.287 121.223 0.169 0.000 2.292 189 L HA 0.496 4.843 4.340 0.012 0.000 0.284 189 L C 1.589 178.492 176.870 0.056 0.000 1.065 189 L CA -0.165 54.701 54.840 0.044 0.000 0.806 189 L CB 0.852 42.842 42.059 -0.117 0.000 1.175 189 L HN 0.620 nan 8.230 nan 0.000 0.431 190 R N 2.954 123.439 120.500 -0.024 0.000 2.073 190 R HA -0.069 4.278 4.340 0.012 0.000 0.234 190 R C -0.342 175.646 176.300 -0.519 0.000 1.134 190 R CA 1.248 57.089 56.100 -0.432 0.000 0.952 190 R CB 0.164 30.057 30.300 -0.679 0.000 0.850 190 R HN 0.577 nan 8.270 nan 0.000 0.433 191 W N 0.629 122.001 121.300 0.119 0.000 2.520 191 W HA 0.405 5.072 4.660 0.012 0.000 0.323 191 W C -0.266 176.384 176.519 0.218 0.000 1.062 191 W CA -0.816 56.610 57.345 0.134 0.000 1.215 191 W CB 1.697 31.236 29.460 0.133 0.000 1.340 191 W HN 0.058 nan 8.180 nan 0.000 0.516 192 S N -0.748 115.253 115.700 0.502 0.000 2.727 192 S HA 0.221 4.699 4.470 0.012 0.000 0.278 192 S C 0.122 174.994 174.600 0.453 0.000 1.186 192 S CA -0.462 58.051 58.200 0.521 0.000 0.836 192 S CB 1.153 64.633 63.200 0.467 0.000 1.186 192 S HN 0.594 nan 8.310 nan 0.000 0.499 193 D N 0.180 120.845 120.400 0.442 0.000 2.310 193 D HA 0.104 4.752 4.640 0.012 0.000 0.212 193 D C 1.709 178.322 176.300 0.522 0.000 0.965 193 D CA 1.014 55.315 54.000 0.502 0.000 0.879 193 D CB -0.655 40.312 40.800 0.279 0.000 0.921 193 D HN 0.688 nan 8.370 nan 0.000 0.510 194 G N 0.113 109.141 108.800 0.381 0.000 2.471 194 G HA2 -0.231 3.736 3.960 0.012 0.000 0.219 194 G HA3 -0.231 3.736 3.960 0.012 0.000 0.219 194 G C 1.667 176.763 174.900 0.327 0.000 1.125 194 G CA 0.593 45.893 45.100 0.333 0.000 0.775 194 G HN 0.301 nan 8.290 nan 0.000 0.548 195 S N 0.010 115.891 115.700 0.302 0.000 2.419 195 S HA -0.107 4.371 4.470 0.012 0.000 0.233 195 S C 1.873 176.579 174.600 0.177 0.000 1.016 195 S CA 0.716 59.059 58.200 0.240 0.000 0.974 195 S CB -0.394 62.952 63.200 0.244 0.000 0.786 195 S HN 0.553 nan 8.310 nan 0.000 0.492 196 Y N 1.180 121.613 120.300 0.222 0.000 2.421 196 Y HA 0.084 4.641 4.550 0.012 0.000 0.292 196 Y C 1.603 177.621 175.900 0.197 0.000 1.136 196 Y CA 0.620 58.770 58.100 0.084 0.000 1.255 196 Y CB -0.244 38.104 38.460 -0.188 0.000 0.991 196 Y HN 0.200 nan 8.280 nan 0.000 0.552 197 L N -0.245 121.185 121.223 0.343 0.000 2.628 197 L HA 0.119 4.466 4.340 0.012 0.000 0.229 197 L C 0.033 177.048 176.870 0.243 0.000 1.137 197 L CA 0.433 55.429 54.840 0.260 0.000 0.909 197 L CB 0.036 42.252 42.059 0.262 0.000 1.137 197 L HN 0.151 nan 8.230 nan 0.000 0.470 198 E N -0.165 120.190 120.200 0.259 0.000 3.646 198 E HA 0.043 4.400 4.350 0.012 0.000 0.211 198 E C -0.507 176.203 176.600 0.184 0.000 1.034 198 E CA -0.060 56.475 56.400 0.225 0.000 1.341 198 E CB 0.494 30.317 29.700 0.204 0.000 1.202 198 E HN 0.032 nan 8.360 nan 0.000 0.447 199 D N 1.155 121.622 120.400 0.111 0.000 2.706 199 D HA 0.037 4.684 4.640 0.012 0.000 0.236 199 D C -0.235 176.056 176.300 -0.015 0.000 1.231 199 D CA -0.163 53.787 54.000 -0.083 0.000 0.828 199 D CB 0.160 40.648 40.800 -0.520 0.000 1.015 199 D HN 0.038 nan 8.370 nan 0.000 0.484 200 Q N 0.499 120.387 119.800 0.147 0.000 2.392 200 Q HA 0.110 4.457 4.340 0.012 0.000 0.262 200 Q C -0.143 175.975 176.000 0.196 0.000 1.003 200 Q CA 0.085 56.043 55.803 0.259 0.000 0.888 200 Q CB 0.639 29.673 28.738 0.494 0.000 1.260 200 Q HN 0.092 nan 8.270 nan 0.000 0.435 201 D N 3.347 123.883 120.400 0.227 0.000 2.398 201 D HA 0.158 4.805 4.640 0.012 0.000 0.250 201 D C -0.760 175.682 176.300 0.237 0.000 1.287 201 D CA 0.203 54.309 54.000 0.177 0.000 0.992 201 D CB -0.383 40.520 40.800 0.171 0.000 1.071 201 D HN 0.503 nan 8.370 nan 0.000 0.514 202 M N 0.587 120.289 119.600 0.171 0.000 3.012 202 M HA 0.370 4.858 4.480 0.012 0.000 0.272 202 M C -1.369 174.996 176.300 0.107 0.000 1.187 202 M CA -1.154 54.171 55.300 0.042 0.000 0.813 202 M CB 1.019 33.560 32.600 -0.099 0.000 1.626 202 M HN -0.077 nan 8.290 nan 0.000 0.507 203 W N 2.056 123.431 121.300 0.125 0.000 2.223 203 W HA 0.320 4.987 4.660 0.012 0.000 0.334 203 W C 0.275 176.811 176.519 0.028 0.000 1.334 203 W CA 0.024 57.438 57.345 0.115 0.000 1.246 203 W CB 0.363 29.829 29.460 0.010 0.000 1.184 203 W HN 0.291 nan 8.180 nan 0.000 0.563 204 R N 4.984 125.650 120.500 0.276 0.000 2.248 204 R HA 0.345 4.692 4.340 0.012 0.000 0.337 204 R C -0.107 176.196 176.300 0.006 0.000 1.106 204 R CA -0.070 56.120 56.100 0.150 0.000 0.959 204 R CB -0.221 30.239 30.300 0.266 0.000 1.075 204 R HN 0.549 nan 8.270 nan 0.000 0.480 205 M N 0.206 119.703 119.600 -0.171 0.000 2.792 205 M HA 0.533 5.020 4.480 0.012 0.000 0.290 205 M C 0.047 175.999 176.300 -0.580 0.000 1.155 205 M CA -0.838 54.240 55.300 -0.369 0.000 0.781 205 M CB 2.170 34.554 32.600 -0.361 0.000 1.741 205 M HN 0.573 nan 8.290 nan 0.000 0.473 206 S N -1.200 114.022 115.700 -0.797 0.000 2.611 206 S HA 0.959 5.436 4.470 0.012 0.000 0.268 206 S C -0.640 173.474 174.600 -0.809 0.000 1.156 206 S CA -0.220 57.446 58.200 -0.892 0.000 0.817 206 S CB 1.863 64.347 63.200 -1.193 0.000 1.122 206 S HN 1.429 nan 8.310 nan 0.000 0.466 207 G N -0.095 108.493 108.800 -0.353 0.000 2.347 207 G HA2 0.223 4.191 3.960 0.012 0.000 0.341 207 G HA3 0.223 4.191 3.960 0.012 0.000 0.341 207 G C -1.571 173.351 174.900 0.036 0.000 1.287 207 G CA -0.689 44.482 45.100 0.118 0.000 0.984 207 G HN 1.084 nan 8.290 nan 0.000 0.526 208 I N 2.058 122.480 120.570 -0.245 0.000 2.268 208 I HA 0.275 4.452 4.170 0.012 0.000 0.290 208 I C 1.072 177.036 176.117 -0.255 0.000 1.125 208 I CA -0.258 60.783 61.300 -0.432 0.000 1.236 208 I CB -0.131 37.327 38.000 -0.904 0.000 1.469 208 I HN 0.514 nan 8.210 nan 0.000 0.512 209 F N 4.237 124.030 119.950 -0.260 0.000 2.695 209 F HA 0.463 4.997 4.527 0.012 0.000 0.303 209 F C 0.698 176.411 175.800 -0.144 0.000 1.091 209 F CA -0.553 57.328 58.000 -0.199 0.000 1.300 209 F CB 0.119 39.008 39.000 -0.184 0.000 1.071 209 F HN 0.123 nan 8.300 nan 0.000 0.578 210 R N 0.511 120.517 120.500 -0.823 0.000 2.939 210 R HA 0.252 4.599 4.340 0.012 0.000 0.254 210 R C -0.715 175.353 176.300 -0.387 0.000 1.123 210 R CA -1.169 54.585 56.100 -0.576 0.000 1.020 210 R CB 0.693 30.589 30.300 -0.673 0.000 1.206 210 R HN -0.028 nan 8.270 nan 0.000 0.491 211 D N 0.705 120.926 120.400 -0.299 0.000 2.419 211 D HA 0.105 4.752 4.640 0.012 0.000 0.236 211 D C -0.485 175.655 176.300 -0.266 0.000 1.165 211 D CA 0.391 54.256 54.000 -0.225 0.000 0.882 211 D CB 0.771 41.474 40.800 -0.161 0.000 1.201 211 D HN -0.013 nan 8.370 nan 0.000 0.443 212 V N 1.079 120.841 119.914 -0.252 0.000 2.540 212 V HA 0.543 4.670 4.120 0.012 0.000 0.302 212 V C 0.073 176.033 176.094 -0.223 0.000 1.035 212 V CA -0.551 61.537 62.300 -0.354 0.000 0.873 212 V CB 1.631 33.240 31.823 -0.355 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.573 120.127 115.700 -0.243 0.000 2.651 213 S HA 0.885 5.362 4.470 0.012 0.000 0.279 213 S C -1.470 173.082 174.600 -0.081 0.000 1.148 213 S CA -0.851 57.279 58.200 -0.117 0.000 0.837 213 S CB 2.208 65.374 63.200 -0.056 0.000 1.138 213 S HN 0.451 nan 8.310 nan 0.000 0.478 214 L N 1.335 122.573 121.223 0.025 0.000 2.385 214 L HA 0.780 5.128 4.340 0.012 0.000 0.273 214 L C -1.507 175.556 176.870 0.322 0.000 0.990 214 L CA -0.756 54.171 54.840 0.146 0.000 0.821 214 L CB 1.628 43.756 42.059 0.115 0.000 1.279 214 L HN 0.853 nan 8.230 nan 0.000 0.412 215 L N 4.348 125.746 121.223 0.293 0.000 2.381 215 L HA 0.488 4.835 4.340 0.012 0.000 0.274 215 L C -1.081 175.832 176.870 0.070 0.000 0.988 215 L CA -0.197 54.758 54.840 0.192 0.000 0.824 215 L CB 1.269 43.393 42.059 0.108 0.000 1.263 215 L HN 0.623 nan 8.230 nan 0.000 0.410 216 H N 5.363 124.236 119.070 -0.329 0.000 2.517 216 H HA 0.452 5.015 4.556 0.012 0.000 0.317 216 H C -1.187 173.945 175.328 -0.327 0.000 1.080 216 H CA -0.440 55.278 56.048 -0.550 0.000 1.301 216 H CB 1.046 29.950 29.762 -1.431 0.000 1.425 216 H HN 0.535 nan 8.280 nan 0.000 0.471 217 K N 5.510 125.554 120.400 -0.593 0.000 2.328 217 K HA 0.372 4.699 4.320 0.012 0.000 0.246 217 K C -2.666 173.702 176.600 -0.387 0.000 0.955 217 K CA -2.050 54.027 56.287 -0.349 0.000 0.817 217 K CB 2.069 34.426 32.500 -0.239 0.000 1.208 217 K HN 0.488 nan 8.250 nan 0.000 0.432 218 P HA 0.126 nan 4.420 nan 0.000 0.272 218 P C 0.527 177.761 177.300 -0.111 0.000 1.240 218 P CA -0.124 62.917 63.100 -0.098 0.000 0.791 218 P CB 0.448 32.123 31.700 -0.043 0.000 0.978 219 T N -0.921 113.593 114.554 -0.067 0.000 2.720 219 T HA -0.065 4.292 4.350 0.012 0.000 0.268 219 T C 0.618 175.284 174.700 -0.057 0.000 1.037 219 T CA 1.637 63.703 62.100 -0.056 0.000 1.144 219 T CB -0.628 68.225 68.868 -0.025 0.000 0.864 219 T HN 0.438 nan 8.240 nan 0.000 0.444 220 T N 3.675 118.201 114.554 -0.046 0.000 2.738 220 T HA 0.457 4.814 4.350 0.012 0.000 0.298 220 T C -0.239 174.422 174.700 -0.066 0.000 0.962 220 T CA -0.624 61.441 62.100 -0.058 0.000 0.972 220 T CB 0.634 69.486 68.868 -0.026 0.000 0.928 220 T HN 0.483 nan 8.240 nan 0.000 0.474 221 Q N 2.510 122.255 119.800 -0.092 0.000 2.511 221 Q HA 0.586 4.933 4.340 0.012 0.000 0.289 221 Q C -1.301 174.640 176.000 -0.098 0.000 1.021 221 Q CA -1.143 54.596 55.803 -0.105 0.000 0.785 221 Q CB 1.322 29.978 28.738 -0.137 0.000 1.472 221 Q HN 0.461 nan 8.270 nan 0.000 0.411 222 I N 2.739 123.230 120.570 -0.133 0.000 2.436 222 I HA 0.019 4.196 4.170 0.012 0.000 0.289 222 I C 0.856 176.901 176.117 -0.119 0.000 1.083 222 I CA 0.042 61.289 61.300 -0.090 0.000 1.372 222 I CB 1.065 38.969 38.000 -0.159 0.000 1.408 222 I HN 0.880 nan 8.210 nan 0.000 0.516 223 S N 2.805 118.539 115.700 0.056 0.000 2.503 223 S HA 0.170 4.647 4.470 0.012 0.000 0.215 223 S C 0.216 175.032 174.600 0.360 0.000 1.003 223 S CA -0.202 58.096 58.200 0.164 0.000 0.910 223 S CB 0.251 63.496 63.200 0.075 0.000 0.790 223 S HN 0.713 nan 8.310 nan 0.000 0.514 224 D N -0.366 120.248 120.400 0.358 0.000 2.683 224 D HA 0.518 5.166 4.640 0.012 0.000 0.246 224 D C -1.839 174.658 176.300 0.329 0.000 1.238 224 D CA -0.726 53.477 54.000 0.338 0.000 0.759 224 D CB 1.532 42.425 40.800 0.155 0.000 1.349 224 D HN 0.212 nan 8.370 nan 0.000 0.426 225 F N -0.697 119.349 119.950 0.160 0.000 2.665 225 F HA 0.625 5.159 4.527 0.012 0.000 0.308 225 F C -1.613 174.309 175.800 0.203 0.000 1.112 225 F CA -0.767 57.256 58.000 0.038 0.000 0.972 225 F CB 1.321 40.371 39.000 0.084 0.000 1.295 225 F HN 0.270 nan 8.300 nan 0.000 0.440 226 H N 1.621 120.771 119.070 0.132 0.000 2.667 226 H HA 0.707 5.270 4.556 0.012 0.000 0.353 226 H C -1.385 173.992 175.328 0.082 0.000 1.072 226 H CA -1.468 54.588 56.048 0.013 0.000 1.214 226 H CB 2.627 32.378 29.762 -0.018 0.000 1.600 226 H HN 0.611 nan 8.280 nan 0.000 0.527 227 V N 2.352 122.373 119.914 0.178 0.000 2.398 227 V HA 0.650 4.777 4.120 0.012 0.000 0.286 227 V C -0.056 176.036 176.094 -0.004 0.000 1.026 227 V CA -0.545 61.808 62.300 0.089 0.000 0.868 227 V CB 1.186 33.062 31.823 0.089 0.000 0.982 227 V HN 0.908 nan 8.190 nan 0.000 0.443 228 A N 3.367 126.160 122.820 -0.044 0.000 2.401 228 A HA 0.949 5.277 4.320 0.012 0.000 0.310 228 A C -0.112 177.366 177.584 -0.178 0.000 1.075 228 A CA -0.523 51.465 52.037 -0.082 0.000 0.746 228 A CB 1.969 20.943 19.000 -0.044 0.000 1.277 228 A HN 0.928 nan 8.150 nan 0.000 0.425 229 T N -0.129 114.299 114.554 -0.210 0.000 2.890 229 T HA 0.734 5.091 4.350 0.012 0.000 0.295 229 T C -0.556 173.928 174.700 -0.359 0.000 0.993 229 T CA -0.649 61.230 62.100 -0.367 0.000 0.979 229 T CB 0.937 69.475 68.868 -0.550 0.000 0.967 229 T HN 0.700 nan 8.240 nan 0.000 0.441 230 R N 1.919 122.117 120.500 -0.503 0.000 2.803 230 R HA 0.800 5.147 4.340 0.012 0.000 0.276 230 R C -1.234 174.628 176.300 -0.730 0.000 0.978 230 R CA -0.784 55.092 56.100 -0.373 0.000 0.939 230 R CB 1.730 31.935 30.300 -0.157 0.000 1.179 230 R HN 0.554 nan 8.270 nan 0.000 0.472 231 F N 0.348 120.277 119.950 -0.035 0.000 2.611 231 F HA 0.360 4.893 4.527 0.011 0.000 0.324 231 F C 0.521 176.183 175.800 -0.229 0.000 1.061 231 F CA -1.066 56.854 58.000 -0.132 0.000 0.954 231 F CB 1.109 39.902 39.000 -0.344 0.000 1.301 231 F HN 0.537 nan 8.300 nan 0.000 0.482 232 N N -0.017 118.662 118.700 -0.034 0.000 2.364 232 N HA 0.054 4.801 4.740 0.012 0.000 0.264 232 N C 0.484 175.849 175.510 -0.241 0.000 1.263 232 N CA -0.139 52.854 53.050 -0.096 0.000 0.959 232 N CB 0.067 38.528 38.487 -0.044 0.000 1.204 232 N HN 0.674 nan 8.380 nan 0.000 0.550 233 D N -1.326 118.984 120.400 -0.149 0.000 2.182 233 D HA -0.235 4.412 4.640 0.012 0.000 0.201 233 D C 0.201 176.427 176.300 -0.124 0.000 0.986 233 D CA 1.538 55.454 54.000 -0.139 0.000 0.847 233 D CB -0.540 40.236 40.800 -0.040 0.000 0.942 233 D HN 0.732 nan 8.370 nan 0.000 0.467 234 D N -1.591 118.783 120.400 -0.043 0.000 2.501 234 D HA 0.042 4.690 4.640 0.012 0.000 0.226 234 D C 0.068 176.534 176.300 0.277 0.000 1.198 234 D CA -1.028 53.058 54.000 0.144 0.000 0.830 234 D CB -1.133 39.747 40.800 0.133 0.000 1.014 234 D HN 0.183 nan 8.370 nan 0.000 0.496 235 F N 0.362 120.378 119.950 0.110 0.000 3.006 235 F HA -0.305 4.229 4.527 0.011 0.000 0.289 235 F C 1.709 177.596 175.800 0.146 0.000 0.772 235 F CA 0.871 58.951 58.000 0.133 0.000 1.162 235 F CB -2.458 36.513 39.000 -0.048 0.000 1.382 235 F HN 0.234 nan 8.300 nan 0.000 0.406 236 S N -1.217 114.606 115.700 0.205 0.000 2.528 236 S HA 0.248 4.725 4.470 0.012 0.000 0.219 236 S C 0.670 175.337 174.600 0.111 0.000 0.985 236 S CA 0.045 58.332 58.200 0.146 0.000 0.914 236 S CB 0.381 63.639 63.200 0.095 0.000 0.776 236 S HN 0.459 nan 8.310 nan 0.000 0.526 237 R N 0.178 120.748 120.500 0.118 0.000 2.673 237 R HA 0.803 5.150 4.340 0.012 0.000 0.281 237 R C -1.219 175.115 176.300 0.057 0.000 0.991 237 R CA -0.251 55.884 56.100 0.057 0.000 0.896 237 R CB 2.268 32.575 30.300 0.012 0.000 1.201 237 R HN 0.272 nan 8.270 nan 0.000 0.457 238 A N 1.668 124.470 122.820 -0.031 0.000 2.527 238 A HA 0.785 5.112 4.320 0.012 0.000 0.293 238 A C -1.351 176.157 177.584 -0.127 0.000 1.117 238 A CA -0.663 51.269 52.037 -0.175 0.000 0.723 238 A CB 2.024 20.919 19.000 -0.174 0.000 1.313 238 A HN 0.348 nan 8.150 nan 0.000 0.411 239 V N 1.170 120.976 119.914 -0.180 0.000 2.531 239 V HA 0.434 4.562 4.120 0.012 0.000 0.301 239 V C -0.628 175.396 176.094 -0.118 0.000 1.034 239 V CA -0.349 61.887 62.300 -0.108 0.000 0.865 239 V CB 1.464 33.224 31.823 -0.104 0.000 0.995 239 V HN 0.805 nan 8.190 nan 0.000 0.424 240 L N 5.192 126.387 121.223 -0.047 0.000 2.264 240 L HA 0.573 4.920 4.340 0.012 0.000 0.289 240 L C -0.080 176.744 176.870 -0.076 0.000 1.044 240 L CA 0.080 54.865 54.840 -0.093 0.000 0.807 240 L CB 0.697 42.734 42.059 -0.037 0.000 1.192 240 L HN 0.653 nan 8.230 nan 0.000 0.425 241 E N 5.123 125.274 120.200 -0.082 0.000 2.176 241 E HA 0.590 4.948 4.350 0.012 0.000 0.267 241 E C -1.066 175.522 176.600 -0.021 0.000 0.893 241 E CA -0.816 55.555 56.400 -0.049 0.000 0.761 241 E CB 2.106 31.780 29.700 -0.043 0.000 1.133 241 E HN 0.658 nan 8.360 nan 0.000 0.409 242 A N 3.340 126.155 122.820 -0.009 0.000 2.311 242 A HA 0.292 4.619 4.320 0.012 0.000 0.306 242 A C -0.459 177.129 177.584 0.006 0.000 1.189 242 A CA -0.667 51.389 52.037 0.031 0.000 0.791 242 A CB 0.901 19.919 19.000 0.031 0.000 1.172 242 A HN 0.673 nan 8.150 nan 0.000 0.481 243 E N 2.567 122.772 120.200 0.009 0.000 2.174 243 E HA 0.537 4.894 4.350 0.012 0.000 0.282 243 E C -1.323 175.236 176.600 -0.070 0.000 0.992 243 E CA -0.350 56.011 56.400 -0.066 0.000 0.803 243 E CB 1.098 30.723 29.700 -0.126 0.000 1.090 243 E HN 0.380 nan 8.360 nan 0.000 0.396 244 V N 4.909 124.797 119.914 -0.043 0.000 2.540 244 V HA 0.276 4.403 4.120 0.012 0.000 0.302 244 V C -0.449 175.708 176.094 0.105 0.000 1.035 244 V CA -0.833 61.492 62.300 0.042 0.000 0.873 244 V CB 1.666 33.499 31.823 0.017 0.000 0.992 244 V HN 0.735 nan 8.190 nan 0.000 0.428 245 Q N 4.283 124.155 119.800 0.119 0.000 2.306 245 Q HA 0.833 5.181 4.340 0.012 0.000 0.265 245 Q C -0.680 175.404 176.000 0.141 0.000 1.022 245 Q CA -0.853 55.028 55.803 0.131 0.000 0.853 245 Q CB 2.628 31.377 28.738 0.018 0.000 1.327 245 Q HN 0.819 nan 8.270 nan 0.000 0.449 249 E N 1.062 121.211 120.200 -0.086 0.000 1.944 249 E HA 0.268 4.625 4.350 0.012 0.000 0.272 249 E C -0.337 176.168 176.600 -0.159 0.000 1.195 249 E CA -0.247 56.104 56.400 -0.082 0.000 0.926 249 E CB 0.157 29.848 29.700 -0.015 0.000 1.051 249 E HN 0.288 nan 8.360 nan 0.000 0.404 250 L N 5.772 126.882 121.223 -0.190 0.000 2.325 250 L HA 0.273 4.620 4.340 0.012 0.000 0.284 250 L C -0.307 176.407 176.870 -0.260 0.000 1.089 250 L CA -0.005 54.680 54.840 -0.259 0.000 0.836 250 L CB 0.059 41.990 42.059 -0.213 0.000 1.184 250 L HN 0.443 nan 8.230 nan 0.000 0.444 251 R N 2.600 122.861 120.500 -0.399 0.000 2.740 251 R HA 0.210 4.557 4.340 0.012 0.000 0.273 251 R C -0.249 175.737 176.300 -0.523 0.000 0.998 251 R CA -0.801 54.989 56.100 -0.517 0.000 0.900 251 R CB 1.356 30.995 30.300 -1.101 0.000 1.223 251 R HN 0.460 nan 8.270 nan 0.000 0.466 252 D N 0.806 121.013 120.400 -0.323 0.000 2.350 252 D HA -0.100 4.548 4.640 0.012 0.000 0.216 252 D C 1.456 177.686 176.300 -0.117 0.000 0.968 252 D CA 1.200 55.106 54.000 -0.158 0.000 0.894 252 D CB 0.071 40.839 40.800 -0.054 0.000 0.909 252 D HN 0.531 nan 8.370 nan 0.000 0.520 253 Y N -0.348 119.963 120.300 0.019 0.000 2.546 253 Y HA 0.239 4.796 4.550 0.012 0.000 0.287 253 Y C 0.734 176.643 175.900 0.014 0.000 1.158 253 Y CA -0.457 57.653 58.100 0.017 0.000 1.307 253 Y CB -0.930 37.539 38.460 0.015 0.000 1.036 253 Y HN -0.189 nan 8.280 nan 0.000 0.532 254 L N 2.495 123.673 121.223 -0.074 0.000 2.439 254 L HA 0.332 4.679 4.340 0.012 0.000 0.269 254 L C 0.191 177.093 176.870 0.052 0.000 1.179 254 L CA -0.180 54.715 54.840 0.092 0.000 0.828 254 L CB 0.500 42.593 42.059 0.056 0.000 1.106 254 L HN 0.144 nan 8.230 nan 0.000 0.467 255 R N 1.556 121.974 120.500 -0.137 0.000 2.764 255 R HA 0.670 5.017 4.340 0.012 0.000 0.270 255 R C -1.544 174.463 176.300 -0.488 0.000 1.014 255 R CA -0.809 55.063 56.100 -0.380 0.000 0.904 255 R CB 2.068 32.004 30.300 -0.608 0.000 1.236 255 R HN 0.261 nan 8.270 nan 0.000 0.466 256 V N 0.836 120.496 119.914 -0.424 0.000 2.540 256 V HA 0.493 4.620 4.120 0.012 0.000 0.302 256 V C -0.333 175.730 176.094 -0.051 0.000 1.035 256 V CA -0.559 61.599 62.300 -0.237 0.000 0.873 256 V CB 2.251 33.876 31.823 -0.330 0.000 0.992 256 V HN 0.699 nan 8.190 nan 0.000 0.428 257 T N 4.169 118.813 114.554 0.149 0.000 2.786 257 T HA 0.573 4.930 4.350 0.012 0.000 0.283 257 T C -0.540 174.187 174.700 0.045 0.000 0.992 257 T CA -0.300 61.885 62.100 0.140 0.000 0.954 257 T CB 1.518 70.498 68.868 0.187 0.000 0.934 257 T HN 0.340 nan 8.240 nan 0.000 0.440 258 V N 4.185 124.103 119.914 0.007 0.000 2.417 258 V HA 0.663 4.790 4.120 0.012 0.000 0.291 258 V C 0.062 176.168 176.094 0.020 0.000 1.024 258 V CA -0.721 61.579 62.300 -0.001 0.000 0.861 258 V CB 1.683 33.491 31.823 -0.025 0.000 0.985 258 V HN 1.036 nan 8.190 nan 0.000 0.436 259 S N 5.382 121.125 115.700 0.072 0.000 2.513 259 S HA 0.845 5.322 4.470 0.012 0.000 0.299 259 S C -1.109 173.565 174.600 0.124 0.000 1.087 259 S CA -0.759 57.481 58.200 0.067 0.000 1.012 259 S CB 2.068 65.359 63.200 0.151 0.000 1.044 259 S HN 0.528 nan 8.310 nan 0.000 0.485 260 L N 2.534 123.732 121.223 -0.041 0.000 2.341 260 L HA 0.810 5.157 4.340 0.012 0.000 0.278 260 L C -1.928 174.908 176.870 -0.058 0.000 1.005 260 L CA -0.285 54.605 54.840 0.083 0.000 0.818 260 L CB 0.936 43.023 42.059 0.046 0.000 1.259 260 L HN 0.896 nan 8.230 nan 0.000 0.418 261 W N 3.582 124.990 121.300 0.181 0.000 2.844 261 W HA 0.599 5.266 4.660 0.012 0.000 0.340 261 W C -0.552 176.089 176.519 0.203 0.000 1.093 261 W CA -0.463 56.971 57.345 0.148 0.000 1.212 261 W CB 1.446 30.942 29.460 0.060 0.000 1.422 261 W HN 0.324 nan 8.180 nan 0.000 0.515 262 Q N 2.217 122.197 119.800 0.299 0.000 2.363 262 Q HA 0.440 4.787 4.340 0.012 0.000 0.265 262 Q C 0.648 176.710 176.000 0.103 0.000 1.032 262 Q CA 0.444 56.285 55.803 0.064 0.000 0.746 262 Q CB 1.301 30.017 28.738 -0.037 0.000 1.237 262 Q HN 0.810 nan 8.270 nan 0.000 0.475 263 G N 3.714 112.566 108.800 0.086 0.000 2.611 263 G HA2 -0.356 3.611 3.960 0.012 0.000 0.301 263 G HA3 -0.356 3.611 3.960 0.012 0.000 0.301 263 G C 0.393 175.401 174.900 0.180 0.000 1.233 263 G CA 0.473 45.624 45.100 0.084 0.000 0.993 263 G HN 0.719 nan 8.290 nan 0.000 0.553 264 E N 0.962 121.259 120.200 0.162 0.000 2.476 264 E HA 0.171 4.528 4.350 0.012 0.000 0.191 264 E C 0.335 177.177 176.600 0.403 0.000 1.064 264 E CA 0.567 57.113 56.400 0.243 0.000 0.866 264 E CB 0.098 29.869 29.700 0.119 0.000 0.952 264 E HN 0.351 nan 8.360 nan 0.000 0.492 265 T N 0.978 115.708 114.554 0.293 0.000 2.795 265 T HA 0.146 4.504 4.350 0.012 0.000 0.282 265 T C -0.233 174.419 174.700 -0.080 0.000 0.980 265 T CA -0.485 61.690 62.100 0.123 0.000 1.012 265 T CB 1.839 70.730 68.868 0.038 0.000 0.936 265 T HN 0.007 nan 8.240 nan 0.000 0.457 266 Q N 2.682 122.152 119.800 -0.550 0.000 2.314 266 Q HA 0.302 4.649 4.340 0.012 0.000 0.257 266 Q C 1.070 176.777 176.000 -0.490 0.000 0.975 266 Q CA -0.520 54.626 55.803 -1.095 0.000 0.933 266 Q CB 0.719 28.649 28.738 -1.348 0.000 1.195 266 Q HN 0.705 nan 8.270 nan 0.000 0.426 267 V N 1.255 120.967 119.914 -0.336 0.000 2.725 267 V HA 0.486 4.613 4.120 0.012 0.000 0.247 267 V C 0.422 176.413 176.094 -0.171 0.000 1.058 267 V CA 0.890 63.095 62.300 -0.158 0.000 1.080 267 V CB -0.178 31.636 31.823 -0.016 0.000 0.713 267 V HN 0.641 nan 8.190 nan 0.000 0.465 268 A N -1.084 121.610 122.820 -0.210 0.000 2.608 268 A HA 0.805 5.132 4.320 0.012 0.000 0.292 268 A C -0.675 176.813 177.584 -0.160 0.000 1.066 268 A CA 0.217 52.161 52.037 -0.154 0.000 0.676 268 A CB 1.561 20.498 19.000 -0.105 0.000 1.277 268 A HN 0.592 nan 8.150 nan 0.000 0.413 269 S N -1.107 114.526 115.700 -0.113 0.000 2.537 269 S HA 0.782 5.260 4.470 0.012 0.000 0.271 269 S C -0.590 173.977 174.600 -0.055 0.000 1.148 269 S CA 0.208 58.357 58.200 -0.085 0.000 0.868 269 S CB 1.676 64.815 63.200 -0.103 0.000 1.115 269 S HN 2.293 nan 8.310 nan 0.000 0.461 270 G N 1.519 110.299 108.800 -0.035 0.000 2.706 270 G HA2 0.657 4.624 3.960 0.012 0.000 0.297 270 G HA3 0.657 4.624 3.960 0.012 0.000 0.297 270 G C -1.421 173.470 174.900 -0.014 0.000 1.403 270 G CA -0.410 44.672 45.100 -0.030 0.000 0.954 270 G HN 0.691 nan 8.290 nan 0.000 0.500 271 T N -0.146 114.402 114.554 -0.010 0.000 2.893 271 T HA 0.842 5.199 4.350 0.012 0.000 0.293 271 T C -0.340 174.336 174.700 -0.041 0.000 1.027 271 T CA -0.081 62.024 62.100 0.008 0.000 0.988 271 T CB 1.824 70.736 68.868 0.072 0.000 1.043 271 T HN 1.490 nan 8.240 nan 0.000 0.461 272 A N 3.468 126.229 122.820 -0.098 0.000 2.612 272 A HA 0.922 5.249 4.320 0.012 0.000 0.293 272 A C -3.073 174.393 177.584 -0.197 0.000 1.075 272 A CA -1.628 50.333 52.037 -0.126 0.000 0.680 272 A CB 1.327 20.245 19.000 -0.136 0.000 1.279 272 A HN 0.532 nan 8.150 nan 0.000 0.411 273 P HA 0.512 nan 4.420 nan 0.000 0.276 273 P C -0.611 176.567 177.300 -0.203 0.000 1.261 273 P CA -0.276 62.746 63.100 -0.131 0.000 0.800 273 P CB 0.352 32.029 31.700 -0.038 0.000 1.066 274 F N -0.258 119.648 119.950 -0.072 0.000 2.450 274 F HA 0.479 5.013 4.527 0.012 0.000 0.339 274 F C 1.416 177.194 175.800 -0.036 0.000 1.146 274 F CA 1.488 59.456 58.000 -0.054 0.000 1.267 274 F CB 0.332 39.293 39.000 -0.065 0.000 1.178 274 F HN 0.563 nan 8.300 nan 0.000 0.585 275 G N 1.722 110.624 108.800 0.170 0.000 2.648 275 G HA2 0.356 4.324 3.960 0.012 0.000 0.317 275 G HA3 0.356 4.324 3.960 0.012 0.000 0.317 275 G C -0.466 174.476 174.900 0.071 0.000 1.216 275 G CA -0.718 44.449 45.100 0.112 0.000 1.210 275 G HN 1.037 nan 8.290 nan 0.000 0.583 276 G N 0.944 109.807 108.800 0.105 0.000 2.588 276 G HA2 0.665 4.632 3.960 0.012 0.000 0.281 276 G HA3 0.665 4.632 3.960 0.012 0.000 0.281 276 G C 0.501 175.438 174.900 0.061 0.000 1.236 276 G CA -0.112 45.037 45.100 0.081 0.000 0.969 276 G HN 0.930 nan 8.290 nan 0.000 0.504 277 E N -0.477 119.751 120.200 0.048 0.000 2.422 277 E HA 0.009 4.366 4.350 0.012 0.000 0.260 277 E C 0.041 176.661 176.600 0.034 0.000 1.108 277 E CA -0.213 56.206 56.400 0.032 0.000 0.943 277 E CB 0.914 30.630 29.700 0.027 0.000 0.961 277 E HN 0.298 nan 8.360 nan 0.000 0.443 278 I N 1.681 122.260 120.570 0.015 0.000 2.683 278 I HA -0.114 4.063 4.170 0.012 0.000 0.286 278 I C 1.436 177.559 176.117 0.010 0.000 1.175 278 I CA 0.422 61.723 61.300 0.002 0.000 1.429 278 I CB 0.214 38.211 38.000 -0.004 0.000 1.371 278 I HN 0.554 nan 8.210 nan 0.000 0.569 279 I N 1.272 121.843 120.570 0.002 0.000 4.312 279 I HA 0.331 4.508 4.170 0.012 0.000 0.324 279 I C -0.215 175.902 176.117 0.001 0.000 1.298 279 I CA -0.123 61.188 61.300 0.019 0.000 1.231 279 I CB 0.472 38.508 38.000 0.061 0.000 1.152 279 I HN 0.581 nan 8.210 nan 0.000 0.421 280 D N -0.238 120.149 120.400 -0.022 0.000 2.838 280 D HA 0.180 4.827 4.640 0.012 0.000 0.334 280 D C 0.182 176.465 176.300 -0.028 0.000 1.315 280 D CA -0.514 53.474 54.000 -0.021 0.000 0.917 280 D CB 0.622 41.410 40.800 -0.020 0.000 1.435 280 D HN -0.128 nan 8.370 nan 0.000 0.517 281 E N -1.060 119.126 120.200 -0.024 0.000 2.333 281 E HA -0.012 4.345 4.350 0.012 0.000 0.198 281 E C 1.247 177.828 176.600 -0.032 0.000 1.007 281 E CA 0.832 57.218 56.400 -0.023 0.000 0.845 281 E CB -0.015 29.674 29.700 -0.018 0.000 0.766 281 E HN 0.210 nan 8.360 nan 0.000 0.507 282 R N -0.256 120.216 120.500 -0.046 0.000 2.317 282 R HA 0.283 4.630 4.340 0.012 0.000 0.208 282 R C 0.828 177.085 176.300 -0.072 0.000 0.914 282 R CA 0.685 56.750 56.100 -0.057 0.000 1.060 282 R CB 0.538 30.797 30.300 -0.067 0.000 1.015 282 R HN 0.214 nan 8.270 nan 0.000 0.498 283 G N -0.531 108.228 108.800 -0.068 0.000 2.460 283 G HA2 -0.138 3.829 3.960 0.012 0.000 0.207 283 G HA3 -0.138 3.829 3.960 0.012 0.000 0.207 283 G C -0.158 174.688 174.900 -0.090 0.000 1.170 283 G CA -0.592 44.468 45.100 -0.066 0.000 1.151 283 G HN 0.491 nan 8.290 nan 0.000 0.575 284 G N -1.998 106.742 108.800 -0.101 0.000 3.176 284 G HA2 0.629 4.596 3.960 0.012 0.000 0.272 284 G HA3 0.629 4.596 3.960 0.012 0.000 0.272 284 G C -1.539 173.238 174.900 -0.205 0.000 1.349 284 G CA -0.687 44.348 45.100 -0.107 0.000 0.953 284 G HN 0.773 nan 8.290 nan 0.000 0.559 285 Y N 1.233 121.543 120.300 0.018 0.000 2.556 285 Y HA 0.404 4.961 4.550 0.011 0.000 0.352 285 Y C 1.530 177.454 175.900 0.041 0.000 1.006 285 Y CA 0.169 58.284 58.100 0.025 0.000 1.277 285 Y CB 1.541 40.022 38.460 0.034 0.000 1.136 285 Y HN 0.544 nan 8.280 nan 0.000 0.523 286 A N 1.785 124.663 122.820 0.097 0.000 2.121 286 A HA -0.162 4.165 4.320 0.012 0.000 0.218 286 A C 1.397 179.051 177.584 0.117 0.000 1.154 286 A CA 1.535 53.620 52.037 0.081 0.000 0.679 286 A CB -0.281 18.725 19.000 0.011 0.000 0.795 286 A HN 0.786 nan 8.150 nan 0.000 0.458 287 D N -1.098 119.381 120.400 0.132 0.000 2.388 287 D HA 0.147 4.794 4.640 0.012 0.000 0.221 287 D C 0.485 176.924 176.300 0.232 0.000 1.133 287 D CA -0.078 53.942 54.000 0.034 0.000 0.831 287 D CB -0.007 40.778 40.800 -0.024 0.000 0.962 287 D HN 0.383 nan 8.370 nan 0.000 0.502 288 R N -0.726 120.006 120.500 0.387 0.000 2.867 288 R HA 0.750 5.097 4.340 0.012 0.000 0.268 288 R C -1.581 174.848 176.300 0.215 0.000 1.014 288 R CA -1.156 55.140 56.100 0.327 0.000 0.946 288 R CB 3.070 33.436 30.300 0.111 0.000 1.208 288 R HN -0.022 nan 8.270 nan 0.000 0.477 289 V N 0.367 120.275 119.914 -0.009 0.000 2.932 289 V HA 0.484 4.612 4.120 0.012 0.000 0.307 289 V C -1.441 174.577 176.094 -0.127 0.000 1.147 289 V CA -0.293 61.909 62.300 -0.163 0.000 0.951 289 V CB 2.711 34.265 31.823 -0.448 0.000 1.031 289 V HN 0.797 nan 8.190 nan 0.000 0.426 290 T N 7.473 121.970 114.554 -0.094 0.000 2.786 290 T HA 0.568 4.925 4.350 0.012 0.000 0.283 290 T C -0.856 173.798 174.700 -0.076 0.000 0.992 290 T CA -0.373 61.685 62.100 -0.071 0.000 0.954 290 T CB 0.942 69.785 68.868 -0.042 0.000 0.934 290 T HN 0.420 nan 8.240 nan 0.000 0.440 291 L N 3.804 124.984 121.223 -0.073 0.000 2.309 291 L HA 0.564 4.911 4.340 0.012 0.000 0.282 291 L C 0.491 177.331 176.870 -0.050 0.000 1.036 291 L CA -0.343 54.457 54.840 -0.066 0.000 0.806 291 L CB 1.293 43.312 42.059 -0.065 0.000 1.220 291 L HN 0.527 nan 8.230 nan 0.000 0.429 292 R N 3.635 124.107 120.500 -0.048 0.000 2.451 292 R HA 0.592 4.939 4.340 0.012 0.000 0.307 292 R C -1.397 174.876 176.300 -0.044 0.000 0.965 292 R CA -1.001 55.071 56.100 -0.045 0.000 0.865 292 R CB 2.057 32.331 30.300 -0.044 0.000 1.174 292 R HN 0.231 nan 8.270 nan 0.000 0.455 293 L N 3.018 124.216 121.223 -0.042 0.000 2.313 293 L HA 0.367 4.714 4.340 0.012 0.000 0.283 293 L C -0.095 176.750 176.870 -0.042 0.000 1.013 293 L CA -0.654 54.162 54.840 -0.041 0.000 0.816 293 L CB 1.414 43.453 42.059 -0.033 0.000 1.236 293 L HN 0.427 nan 8.230 nan 0.000 0.419 294 N N 2.313 120.982 118.700 -0.050 0.000 2.499 294 N HA 0.509 5.257 4.740 0.012 0.000 0.281 294 N C -0.983 174.484 175.510 -0.071 0.000 1.098 294 N CA -0.259 52.758 53.050 -0.056 0.000 0.979 294 N CB 2.406 40.862 38.487 -0.051 0.000 1.121 294 N HN 0.215 nan 8.380 nan 0.000 0.466 295 V N 1.978 121.839 119.914 -0.089 0.000 2.482 295 V HA 0.184 4.312 4.120 0.012 0.000 0.295 295 V C -0.310 175.706 176.094 -0.131 0.000 1.026 295 V CA -0.864 61.344 62.300 -0.153 0.000 0.856 295 V CB 1.906 33.548 31.823 -0.302 0.000 1.001 295 V HN 0.453 nan 8.190 nan 0.000 0.424 296 E N 2.873 123.016 120.200 -0.095 0.000 2.283 296 E HA 0.326 4.683 4.350 0.012 0.000 0.278 296 E C 0.231 176.806 176.600 -0.042 0.000 1.027 296 E CA -0.444 55.925 56.400 -0.051 0.000 0.843 296 E CB 0.487 30.166 29.700 -0.034 0.000 1.062 296 E HN 0.715 nan 8.360 nan 0.000 0.401 297 N N 1.295 119.994 118.700 -0.001 0.000 2.688 297 N HA -0.145 4.602 4.740 0.012 0.000 0.258 297 N C -2.500 173.015 175.510 0.009 0.000 1.016 297 N CA 0.199 53.266 53.050 0.027 0.000 0.747 297 N CB -0.920 37.582 38.487 0.025 0.000 0.895 297 N HN 0.316 nan 8.380 nan 0.000 0.543 298 P HA 0.023 nan 4.420 nan 0.000 0.271 298 P C -0.390 176.948 177.300 0.064 0.000 1.218 298 P CA 0.237 63.262 63.100 -0.125 0.000 0.780 298 P CB 0.746 32.202 31.700 -0.406 0.000 0.901 299 K N 2.254 122.762 120.400 0.180 0.000 2.349 299 K HA 0.267 4.594 4.320 0.012 0.000 0.289 299 K C 0.193 176.940 176.600 0.245 0.000 1.064 299 K CA -0.304 56.079 56.287 0.159 0.000 0.947 299 K CB 0.102 32.651 32.500 0.082 0.000 1.007 299 K HN 0.417 nan 8.250 nan 0.000 0.478 300 L N 2.565 123.866 121.223 0.129 0.000 2.399 300 L HA 0.322 4.669 4.340 0.012 0.000 0.266 300 L C -0.053 176.891 176.870 0.124 0.000 1.114 300 L CA -0.829 54.093 54.840 0.137 0.000 0.804 300 L CB 0.486 42.461 42.059 -0.139 0.000 1.146 300 L HN 0.610 nan 8.230 nan 0.000 0.451 301 W N 2.609 123.934 121.300 0.042 0.000 2.438 301 W HA 0.500 5.166 4.660 0.011 0.000 0.324 301 W C -0.098 176.376 176.519 -0.076 0.000 1.119 301 W CA 0.059 57.418 57.345 0.023 0.000 1.221 301 W CB 1.407 30.935 29.460 0.115 0.000 1.253 301 W HN 0.611 nan 8.180 nan 0.000 0.555 302 S N 2.801 117.963 115.700 -0.897 0.000 2.643 302 S HA 0.650 5.127 4.470 0.012 0.000 0.270 302 S C 0.106 173.889 174.600 -1.362 0.000 1.166 302 S CA -0.368 57.353 58.200 -0.800 0.000 0.815 302 S CB 1.129 64.155 63.200 -0.290 0.000 1.139 302 S HN 0.968 nan 8.310 nan 0.000 0.472 303 A N 0.505 122.692 122.820 -1.055 0.000 1.969 303 A HA 0.046 4.373 4.320 0.012 0.000 0.218 303 A C 1.754 179.016 177.584 -0.536 0.000 1.169 303 A CA 1.477 52.922 52.037 -0.986 0.000 0.635 303 A CB -1.012 17.250 19.000 -1.229 0.000 0.810 303 A HN 0.881 nan 8.150 nan 0.000 0.445 304 E N -1.018 119.013 120.200 -0.282 0.000 2.106 304 E HA -0.030 4.328 4.350 0.012 0.000 0.192 304 E C -0.532 175.946 176.600 -0.203 0.000 0.984 304 E CA 0.752 57.055 56.400 -0.161 0.000 0.806 304 E CB -0.031 29.709 29.700 0.068 0.000 0.750 304 E HN 0.611 nan 8.360 nan 0.000 0.458 305 I N 1.035 121.450 120.570 -0.257 0.000 2.560 305 I HA 0.128 4.305 4.170 0.012 0.000 0.278 305 I C -2.496 173.395 176.117 -0.377 0.000 1.089 305 I CA -1.787 59.377 61.300 -0.226 0.000 1.086 305 I CB 2.234 40.153 38.000 -0.136 0.000 1.202 305 I HN -0.207 nan 8.210 nan 0.000 0.471 306 P HA 0.095 nan 4.420 nan 0.000 0.225 306 P C -0.619 176.660 177.300 -0.035 0.000 1.768 306 P CA -0.248 62.551 63.100 -0.501 0.000 0.943 306 P CB -0.237 31.316 31.700 -0.246 0.000 1.936 307 N N 1.539 120.234 118.700 -0.008 0.000 2.454 307 N HA 0.104 4.851 4.740 0.012 0.000 0.260 307 N C 0.130 175.837 175.510 0.329 0.000 1.218 307 N CA 0.538 53.655 53.050 0.111 0.000 0.904 307 N CB 0.733 39.273 38.487 0.088 0.000 1.065 307 N HN 0.307 nan 8.380 nan 0.000 0.462 308 L N 2.197 123.534 121.223 0.191 0.000 2.371 308 L HA 0.481 4.828 4.340 0.012 0.000 0.262 308 L C -0.831 176.103 176.870 0.106 0.000 1.006 308 L CA -0.875 54.131 54.840 0.277 0.000 0.818 308 L CB 1.350 43.547 42.059 0.229 0.000 1.354 308 L HN 0.388 nan 8.230 nan 0.000 0.415 309 Y N 0.161 120.618 120.300 0.262 0.000 2.621 309 Y HA 0.655 5.212 4.550 0.012 0.000 0.334 309 Y C -0.204 175.823 175.900 0.211 0.000 1.074 309 Y CA -0.806 57.446 58.100 0.253 0.000 1.149 309 Y CB 1.647 40.315 38.460 0.347 0.000 1.302 309 Y HN 0.361 nan 8.280 nan 0.000 0.501 310 R N 1.109 121.846 120.500 0.396 0.000 2.393 310 R HA 0.783 5.130 4.340 0.012 0.000 0.315 310 R C -1.608 174.877 176.300 0.308 0.000 0.952 310 R CA -0.563 55.696 56.100 0.265 0.000 0.842 310 R CB 0.983 31.376 30.300 0.155 0.000 1.163 310 R HN 0.733 nan 8.270 nan 0.000 0.450 311 A N 3.961 126.908 122.820 0.211 0.000 2.276 311 A HA 0.610 4.937 4.320 0.012 0.000 0.316 311 A C -0.969 176.662 177.584 0.079 0.000 1.229 311 A CA -0.624 51.513 52.037 0.166 0.000 0.851 311 A CB 1.165 20.233 19.000 0.112 0.000 1.165 311 A HN 0.491 nan 8.150 nan 0.000 0.513 312 V N 3.458 123.422 119.914 0.084 0.000 2.417 312 V HA 0.360 4.487 4.120 0.012 0.000 0.291 312 V C -0.332 175.732 176.094 -0.051 0.000 1.024 312 V CA -0.475 61.812 62.300 -0.022 0.000 0.861 312 V CB 1.686 33.497 31.823 -0.019 0.000 0.985 312 V HN 0.610 nan 8.190 nan 0.000 0.436 313 V N 4.997 124.819 119.914 -0.154 0.000 2.311 313 V HA 0.382 4.509 4.120 0.012 0.000 0.275 313 V C 0.026 176.065 176.094 -0.091 0.000 1.022 313 V CA -0.554 61.635 62.300 -0.186 0.000 0.830 313 V CB 0.994 32.543 31.823 -0.457 0.000 1.012 313 V HN 0.913 nan 8.190 nan 0.000 0.452 314 E N 3.814 124.015 120.200 0.002 0.000 2.175 314 E HA 0.495 4.852 4.350 0.012 0.000 0.278 314 E C -0.913 175.786 176.600 0.166 0.000 0.969 314 E CA -0.843 55.605 56.400 0.080 0.000 0.796 314 E CB 2.416 32.174 29.700 0.098 0.000 1.104 314 E HN 0.447 nan 8.360 nan 0.000 0.395 315 L N 4.665 125.967 121.223 0.132 0.000 2.272 315 L HA 0.388 4.736 4.340 0.012 0.000 0.289 315 L C -1.028 175.960 176.870 0.197 0.000 1.032 315 L CA 0.041 54.959 54.840 0.131 0.000 0.810 315 L CB 0.085 42.200 42.059 0.092 0.000 1.205 315 L HN 0.671 nan 8.230 nan 0.000 0.422 316 H N 0.134 119.262 119.070 0.096 0.000 2.981 316 H HA 0.706 5.269 4.556 0.012 0.000 0.327 316 H C -0.748 174.660 175.328 0.134 0.000 1.342 316 H CA -0.535 55.565 56.048 0.086 0.000 1.123 316 H CB 0.554 30.345 29.762 0.048 0.000 1.851 316 H HN 0.515 nan 8.280 nan 0.000 0.531 317 T N -1.660 113.036 114.554 0.236 0.000 2.882 317 T HA 0.470 4.827 4.350 0.012 0.000 0.287 317 T C 1.478 176.329 174.700 0.251 0.000 1.014 317 T CA -0.304 61.922 62.100 0.210 0.000 1.049 317 T CB 1.391 70.295 68.868 0.061 0.000 1.001 317 T HN 0.933 nan 8.240 nan 0.000 0.525 318 A N 1.178 124.110 122.820 0.186 0.000 1.978 318 A HA -0.074 4.253 4.320 0.012 0.000 0.220 318 A C 1.776 179.462 177.584 0.169 0.000 1.170 318 A CA 1.477 53.620 52.037 0.178 0.000 0.636 318 A CB -0.829 18.245 19.000 0.123 0.000 0.810 318 A HN 0.862 nan 8.150 nan 0.000 0.448 319 D N -1.419 119.049 120.400 0.114 0.000 2.352 319 D HA 0.285 4.932 4.640 0.012 0.000 0.232 319 D C 1.261 177.595 176.300 0.056 0.000 1.055 319 D CA 1.154 55.193 54.000 0.065 0.000 0.891 319 D CB 0.092 40.907 40.800 0.026 0.000 0.897 319 D HN 0.629 nan 8.370 nan 0.000 0.529 320 G N -0.281 108.579 108.800 0.100 0.000 2.192 320 G HA2 -0.203 3.764 3.960 0.012 0.000 0.193 320 G HA3 -0.203 3.764 3.960 0.012 0.000 0.193 320 G C 0.384 175.302 174.900 0.030 0.000 0.999 320 G CA -0.238 44.886 45.100 0.039 0.000 0.659 320 G HN 0.245 nan 8.290 nan 0.000 0.503 321 T N 1.816 116.410 114.554 0.067 0.000 2.743 321 T HA 0.526 4.883 4.350 0.012 0.000 0.293 321 T C 0.188 174.945 174.700 0.094 0.000 0.945 321 T CA -0.247 61.880 62.100 0.046 0.000 1.030 321 T CB 1.884 70.763 68.868 0.018 0.000 0.912 321 T HN 0.528 nan 8.240 nan 0.000 0.483 322 L N 5.228 126.484 121.223 0.056 0.000 2.410 322 L HA 0.328 4.675 4.340 0.012 0.000 0.273 322 L C 0.818 177.730 176.870 0.071 0.000 1.144 322 L CA 0.394 55.280 54.840 0.077 0.000 0.863 322 L CB -0.025 42.050 42.059 0.027 0.000 1.140 322 L HN 0.702 nan 8.230 nan 0.000 0.463 323 I N 2.963 123.589 120.570 0.092 0.000 2.364 323 I HA 0.078 4.255 4.170 0.012 0.000 0.241 323 I C 0.338 176.478 176.117 0.039 0.000 1.082 323 I CA 0.579 61.916 61.300 0.061 0.000 1.401 323 I CB 0.114 38.156 38.000 0.071 0.000 1.126 323 I HN 0.805 nan 8.210 nan 0.000 0.429 324 E N 0.066 120.290 120.200 0.041 0.000 2.416 324 E HA 0.712 5.070 4.350 0.012 0.000 0.280 324 E C -1.465 175.156 176.600 0.035 0.000 1.055 324 E CA -1.085 55.331 56.400 0.027 0.000 0.825 324 E CB 1.784 31.471 29.700 -0.021 0.000 1.312 324 E HN 0.008 nan 8.360 nan 0.000 0.452 325 A N 1.204 124.065 122.820 0.069 0.000 2.414 325 A HA 0.701 5.029 4.320 0.012 0.000 0.306 325 A C -0.964 176.711 177.584 0.151 0.000 1.054 325 A CA -0.730 51.344 52.037 0.063 0.000 0.724 325 A CB 1.644 20.671 19.000 0.045 0.000 1.267 325 A HN 0.515 nan 8.150 nan 0.000 0.418 326 E N -0.344 119.877 120.200 0.034 0.000 2.355 326 E HA 0.858 5.215 4.350 0.012 0.000 0.261 326 E C -0.469 176.148 176.600 0.029 0.000 0.943 326 E CA -0.494 55.980 56.400 0.123 0.000 0.806 326 E CB 2.367 32.028 29.700 -0.065 0.000 1.286 326 E HN 1.218 nan 8.360 nan 0.000 0.424 327 A N -0.212 122.733 122.820 0.208 0.000 2.566 327 A HA 0.689 5.016 4.320 0.012 0.000 0.290 327 A C -1.181 176.585 177.584 0.303 0.000 1.071 327 A CA -0.370 51.724 52.037 0.095 0.000 0.658 327 A CB 0.634 19.634 19.000 0.000 0.000 1.285 327 A HN 0.850 nan 8.150 nan 0.000 0.427 328 C N -0.645 118.791 119.300 0.227 0.000 3.288 328 C HA 0.830 5.297 4.460 0.012 0.000 0.318 328 C C -1.352 173.740 174.990 0.170 0.000 1.356 328 C CA -0.923 58.241 59.018 0.243 0.000 1.359 328 C CB 1.117 29.028 27.740 0.284 0.000 1.688 328 C HN 0.817 nan 8.230 nan 0.000 0.467 329 D N 0.977 121.465 120.400 0.147 0.000 2.302 329 D HA 0.576 5.223 4.640 0.012 0.000 0.248 329 D C -0.341 176.026 176.300 0.112 0.000 1.094 329 D CA 0.151 54.239 54.000 0.147 0.000 0.897 329 D CB 1.843 42.730 40.800 0.145 0.000 1.200 329 D HN 0.558 nan 8.370 nan 0.000 0.429 330 V N 0.839 120.850 119.914 0.161 0.000 2.604 330 V HA 0.695 4.822 4.120 0.012 0.000 0.305 330 V C 0.547 176.743 176.094 0.171 0.000 1.043 330 V CA -0.900 61.450 62.300 0.085 0.000 0.888 330 V CB 2.110 33.973 31.823 0.067 0.000 0.995 330 V HN 0.611 nan 8.190 nan 0.000 0.429 331 G N 2.715 111.513 108.800 -0.002 0.000 2.502 331 G HA2 0.602 4.569 3.960 0.012 0.000 0.311 331 G HA3 0.602 4.569 3.960 0.012 0.000 0.311 331 G C -0.990 174.023 174.900 0.188 0.000 1.270 331 G CA -0.387 44.792 45.100 0.132 0.000 0.948 331 G HN 0.414 nan 8.290 nan 0.000 0.487 332 F N 4.162 124.326 119.950 0.357 0.000 2.462 332 F HA 0.398 4.932 4.527 0.011 0.000 0.360 332 F C 1.179 177.232 175.800 0.421 0.000 1.134 332 F CA -0.073 58.192 58.000 0.442 0.000 1.148 332 F CB 0.537 39.826 39.000 0.482 0.000 1.147 332 F HN 0.449 nan 8.300 nan 0.000 0.550 333 R N 2.965 123.753 120.500 0.480 0.000 2.663 333 R HA 0.410 4.758 4.340 0.012 0.000 0.267 333 R C -1.789 174.688 176.300 0.295 0.000 1.038 333 R CA -0.798 55.438 56.100 0.226 0.000 0.886 333 R CB 1.538 31.998 30.300 0.267 0.000 1.249 333 R HN 0.578 nan 8.270 nan 0.000 0.463 334 E N 2.182 122.464 120.200 0.137 0.000 2.171 334 E HA 0.462 4.819 4.350 0.012 0.000 0.271 334 E C -1.204 175.476 176.600 0.134 0.000 0.916 334 E CA -0.915 55.634 56.400 0.249 0.000 0.774 334 E CB 2.031 31.957 29.700 0.377 0.000 1.128 334 E HN 0.403 nan 8.360 nan 0.000 0.403 335 V N 5.721 125.706 119.914 0.119 0.000 2.409 335 V HA 0.554 4.681 4.120 0.012 0.000 0.291 335 V C -0.194 175.945 176.094 0.074 0.000 1.020 335 V CA -0.653 61.688 62.300 0.067 0.000 0.848 335 V CB 1.144 32.984 31.823 0.029 0.000 0.990 335 V HN 0.720 nan 8.190 nan 0.000 0.430 336 R N 4.612 125.152 120.500 0.067 0.000 2.643 336 R HA 0.695 5.042 4.340 0.012 0.000 0.269 336 R C -2.152 174.179 176.300 0.051 0.000 1.037 336 R CA -0.862 55.280 56.100 0.070 0.000 0.894 336 R CB 1.951 32.307 30.300 0.093 0.000 1.238 336 R HN 0.552 nan 8.270 nan 0.000 0.459 337 I N 1.800 122.399 120.570 0.048 0.000 2.354 337 I HA 0.348 4.525 4.170 0.012 0.000 0.292 337 I C -0.530 175.612 176.117 0.041 0.000 0.989 337 I CA -0.426 60.897 61.300 0.037 0.000 1.188 337 I CB 1.844 39.866 38.000 0.037 0.000 1.342 337 I HN 0.717 nan 8.210 nan 0.000 0.457 338 E N 5.754 125.975 120.200 0.035 0.000 2.304 338 E HA 0.238 4.596 4.350 0.012 0.000 0.277 338 E C -0.281 176.336 176.600 0.027 0.000 0.898 338 E CA -0.553 55.869 56.400 0.037 0.000 0.764 338 E CB 1.057 30.785 29.700 0.047 0.000 1.216 338 E HN 0.544 nan 8.360 nan 0.000 0.419 339 N N 3.118 121.834 118.700 0.026 0.000 2.708 339 N HA -0.241 4.506 4.740 0.012 0.000 0.249 339 N C 0.470 175.988 175.510 0.014 0.000 1.097 339 N CA 2.220 55.282 53.050 0.020 0.000 0.710 339 N CB -1.125 37.373 38.487 0.018 0.000 1.032 339 N HN 0.996 nan 8.380 nan 0.000 0.551 340 G N -2.449 106.359 108.800 0.014 0.000 2.175 340 G HA2 -0.270 3.697 3.960 0.012 0.000 0.244 340 G HA3 -0.270 3.697 3.960 0.012 0.000 0.244 340 G C -0.112 174.785 174.900 -0.005 0.000 0.982 340 G CA 0.379 45.483 45.100 0.006 0.000 0.641 340 G HN 0.436 nan 8.290 nan 0.000 0.527 341 L N 0.263 121.485 121.223 -0.003 0.000 2.346 341 L HA 0.721 5.069 4.340 0.012 0.000 0.276 341 L C 0.099 176.960 176.870 -0.014 0.000 1.006 341 L CA -1.317 53.513 54.840 -0.017 0.000 0.817 341 L CB 1.844 43.894 42.059 -0.015 0.000 1.272 341 L HN 0.111 nan 8.230 nan 0.000 0.421 342 L N 4.539 125.741 121.223 -0.035 0.000 2.278 342 L HA 0.461 4.808 4.340 0.012 0.000 0.287 342 L C -0.864 175.984 176.870 -0.036 0.000 1.072 342 L CA 0.358 55.178 54.840 -0.032 0.000 0.819 342 L CB 0.391 42.415 42.059 -0.058 0.000 1.176 342 L HN 0.392 nan 8.230 nan 0.000 0.435 343 L N 5.838 127.057 121.223 -0.006 0.000 2.334 343 L HA 0.549 4.896 4.340 0.012 0.000 0.276 343 L C -0.845 176.035 176.870 0.017 0.000 1.014 343 L CA -0.845 54.001 54.840 0.009 0.000 0.815 343 L CB 1.956 44.044 42.059 0.049 0.000 1.268 343 L HN 0.548 nan 8.230 nan 0.000 0.428 344 L N 3.682 124.926 121.223 0.035 0.000 2.349 344 L HA 0.479 4.826 4.340 0.012 0.000 0.278 344 L C -0.203 176.686 176.870 0.031 0.000 0.996 344 L CA -0.053 54.817 54.840 0.051 0.000 0.825 344 L CB 0.946 43.055 42.059 0.084 0.000 1.243 344 L HN 0.590 nan 8.230 nan 0.000 0.412 345 N N 4.178 122.755 118.700 -0.206 0.000 2.727 345 N HA -0.224 4.523 4.740 0.012 0.000 0.249 345 N C 0.931 176.079 175.510 -0.603 0.000 1.048 345 N CA 1.310 53.885 53.050 -0.793 0.000 0.714 345 N CB -1.279 36.649 38.487 -0.932 0.000 0.959 345 N HN 1.176 nan 8.380 nan 0.000 0.544 346 G N -2.095 106.657 108.800 -0.081 0.000 2.179 346 G HA2 -0.351 3.616 3.960 0.012 0.000 0.260 346 G HA3 -0.351 3.616 3.960 0.012 0.000 0.260 346 G C -0.026 174.914 174.900 0.066 0.000 0.977 346 G CA 0.906 46.072 45.100 0.111 0.000 0.641 346 G HN 0.426 nan 8.290 nan 0.000 0.533 347 K N 0.723 121.153 120.400 0.050 0.000 2.203 347 K HA 0.556 4.883 4.320 0.012 0.000 0.251 347 K C -2.866 173.715 176.600 -0.033 0.000 0.944 347 K CA -2.212 54.067 56.287 -0.014 0.000 0.829 347 K CB 2.381 34.809 32.500 -0.119 0.000 1.125 347 K HN 0.024 nan 8.250 nan 0.000 0.430 348 P HA 0.232 nan 4.420 nan 0.000 0.282 348 P C -0.135 177.103 177.300 -0.104 0.000 1.274 348 P CA -0.242 62.816 63.100 -0.071 0.000 0.770 348 P CB 0.469 32.130 31.700 -0.064 0.000 0.867 349 L N 3.342 124.498 121.223 -0.111 0.000 2.453 349 L HA 0.317 4.664 4.340 0.012 0.000 0.261 349 L C 0.571 177.359 176.870 -0.138 0.000 1.179 349 L CA -0.619 54.144 54.840 -0.130 0.000 0.813 349 L CB 0.353 42.294 42.059 -0.197 0.000 1.110 349 L HN 0.247 nan 8.230 nan 0.000 0.466 350 L N 3.401 124.559 121.223 -0.109 0.000 2.388 350 L HA 0.410 4.757 4.340 0.012 0.000 0.267 350 L C -0.541 176.281 176.870 -0.080 0.000 0.995 350 L CA -0.239 54.522 54.840 -0.132 0.000 0.864 350 L CB 0.869 42.876 42.059 -0.086 0.000 1.216 350 L HN 0.239 nan 8.230 nan 0.000 0.430 351 I N 4.914 125.365 120.570 -0.198 0.000 2.421 351 I HA 0.164 4.341 4.170 0.012 0.000 0.291 351 I C 0.561 176.639 176.117 -0.064 0.000 1.089 351 I CA 0.267 61.458 61.300 -0.182 0.000 1.354 351 I CB 0.149 37.912 38.000 -0.396 0.000 1.413 351 I HN 0.558 nan 8.210 nan 0.000 0.513 352 R N 4.765 125.316 120.500 0.084 0.000 2.755 352 R HA 0.441 4.788 4.340 0.012 0.000 0.268 352 R C 0.518 176.954 176.300 0.226 0.000 1.295 352 R CA -0.267 55.928 56.100 0.159 0.000 1.379 352 R CB 0.939 31.147 30.300 -0.154 0.000 1.170 352 R HN 0.769 nan 8.270 nan 0.000 0.584 353 G N 0.174 109.081 108.800 0.178 0.000 2.552 353 G HA2 0.594 4.561 3.960 0.012 0.000 0.324 353 G HA3 0.594 4.561 3.960 0.012 0.000 0.324 353 G C -1.300 173.932 174.900 0.553 0.000 1.217 353 G CA -0.454 44.751 45.100 0.175 0.000 0.989 353 G HN 0.243 nan 8.290 nan 0.000 0.490 354 V N 0.005 120.203 119.914 0.473 0.000 2.932 354 V HA 0.447 4.574 4.120 0.012 0.000 0.307 354 V C -1.106 175.111 176.094 0.206 0.000 1.147 354 V CA -1.208 61.236 62.300 0.239 0.000 0.951 354 V CB 2.177 33.830 31.823 -0.283 0.000 1.031 354 V HN 0.772 nan 8.190 nan 0.000 0.426 355 N N 4.307 123.053 118.700 0.076 0.000 2.514 355 N HA 0.411 5.158 4.740 0.012 0.000 0.277 355 N C -0.674 174.630 175.510 -0.342 0.000 1.126 355 N CA -0.241 52.716 53.050 -0.155 0.000 0.978 355 N CB 1.353 39.718 38.487 -0.203 0.000 1.106 355 N HN 0.620 nan 8.380 nan 0.000 0.461 356 R N 2.171 122.434 120.500 -0.395 0.000 2.502 356 R HA 0.201 4.548 4.340 0.012 0.000 0.298 356 R C -0.854 175.189 176.300 -0.428 0.000 1.018 356 R CA -0.551 55.334 56.100 -0.359 0.000 0.899 356 R CB 0.721 30.791 30.300 -0.383 0.000 1.181 356 R HN 0.596 nan 8.270 nan 0.000 0.444 357 H N 2.076 120.984 119.070 -0.269 0.000 2.546 357 H HA 0.122 4.686 4.556 0.012 0.000 0.365 357 H C -0.449 174.863 175.328 -0.026 0.000 1.220 357 H CA 0.172 56.155 56.048 -0.108 0.000 1.386 357 H CB 1.310 31.081 29.762 0.016 0.000 1.510 357 H HN 0.556 nan 8.280 nan 0.000 0.591 358 E N 1.623 122.006 120.200 0.305 0.000 2.044 358 E HA 0.128 4.485 4.350 0.012 0.000 0.282 358 E C -0.759 175.993 176.600 0.252 0.000 1.031 358 E CA -0.057 56.445 56.400 0.171 0.000 0.824 358 E CB 0.435 30.248 29.700 0.188 0.000 1.076 358 E HN 0.374 nan 8.360 nan 0.000 0.395 359 H N 1.778 120.908 119.070 0.100 0.000 2.954 359 H HA 0.260 4.823 4.556 0.012 0.000 0.361 359 H C -1.741 173.644 175.328 0.095 0.000 1.122 359 H CA -0.646 55.459 56.048 0.096 0.000 1.217 359 H CB 1.061 30.866 29.762 0.072 0.000 1.776 359 H HN 0.428 nan 8.280 nan 0.000 0.533 360 H N 6.075 124.750 119.070 -0.658 0.000 2.759 360 H HA 0.234 4.797 4.556 0.012 0.000 0.354 360 H C -2.388 172.578 175.328 -0.603 0.000 1.074 360 H CA -2.400 53.414 56.048 -0.390 0.000 1.226 360 H CB 2.821 32.510 29.762 -0.122 0.000 1.648 360 H HN 0.526 nan 8.280 nan 0.000 0.529 361 P HA -0.033 nan 4.420 nan 0.000 0.223 361 P C 1.079 178.293 177.300 -0.143 0.000 1.151 361 P CA 0.637 63.590 63.100 -0.245 0.000 0.787 361 P CB 0.855 32.455 31.700 -0.165 0.000 0.788 362 L N -1.582 119.677 121.223 0.059 0.000 2.388 362 L HA 0.134 4.481 4.340 0.012 0.000 0.209 362 L C 2.301 178.986 176.870 -0.309 0.000 1.061 362 L CA 0.588 55.320 54.840 -0.180 0.000 0.834 362 L CB -0.667 41.148 42.059 -0.406 0.000 1.029 362 L HN -0.017 nan 8.230 nan 0.000 0.473 363 H N -0.160 118.906 119.070 -0.005 0.000 2.551 363 H HA 0.327 4.890 4.556 0.012 0.000 0.271 363 H C 1.366 176.601 175.328 -0.155 0.000 0.984 363 H CA 0.626 56.567 56.048 -0.179 0.000 1.164 363 H CB 0.448 29.991 29.762 -0.364 0.000 1.437 363 H HN 0.354 nan 8.280 nan 0.000 0.550 364 G N 1.588 110.323 108.800 -0.108 0.000 2.559 364 G HA2 -0.348 3.620 3.960 0.012 0.000 0.282 364 G HA3 -0.348 3.620 3.960 0.012 0.000 0.282 364 G C 0.695 175.536 174.900 -0.099 0.000 1.177 364 G CA 0.308 45.301 45.100 -0.178 0.000 0.960 364 G HN 0.430 nan 8.290 nan 0.000 0.540 365 Q N -0.066 119.699 119.800 -0.058 0.000 2.247 365 Q HA 0.442 4.789 4.340 0.012 0.000 0.204 365 Q C 0.422 176.539 176.000 0.196 0.000 0.872 365 Q CA -0.063 55.751 55.803 0.017 0.000 0.951 365 Q CB 1.259 29.886 28.738 -0.184 0.000 1.099 365 Q HN 0.381 nan 8.270 nan 0.000 0.501 366 V N 2.210 122.207 119.914 0.138 0.000 2.508 366 V HA 0.118 4.245 4.120 0.012 0.000 0.281 366 V C 0.232 176.372 176.094 0.076 0.000 1.041 366 V CA 0.347 62.720 62.300 0.122 0.000 1.016 366 V CB 0.738 32.563 31.823 0.004 0.000 0.984 366 V HN 0.315 nan 8.190 nan 0.000 0.478 367 M N 4.790 124.436 119.600 0.076 0.000 2.472 367 M HA 0.483 4.970 4.480 0.012 0.000 0.331 367 M C -0.505 175.736 176.300 -0.098 0.000 1.170 367 M CA -0.546 54.751 55.300 -0.006 0.000 1.009 367 M CB 1.712 34.271 32.600 -0.068 0.000 1.672 367 M HN 0.934 nan 8.290 nan 0.000 0.453 368 D N -1.138 119.217 120.400 -0.074 0.000 2.601 368 D HA 0.250 4.897 4.640 0.012 0.000 0.230 368 D C 0.399 176.674 176.300 -0.042 0.000 1.106 368 D CA -0.698 53.259 54.000 -0.072 0.000 0.873 368 D CB 1.470 42.242 40.800 -0.047 0.000 1.515 368 D HN 0.691 nan 8.370 nan 0.000 0.468 369 E N 0.153 120.337 120.200 -0.026 0.000 2.085 369 E HA -0.312 4.045 4.350 0.012 0.000 0.194 369 E C 1.460 178.097 176.600 0.062 0.000 0.994 369 E CA 1.519 57.933 56.400 0.024 0.000 0.801 369 E CB 0.108 29.840 29.700 0.053 0.000 0.743 369 E HN 0.558 nan 8.360 nan 0.000 0.453 370 Q N -0.436 119.404 119.800 0.066 0.000 2.084 370 Q HA -0.131 4.216 4.340 0.012 0.000 0.202 370 Q C 2.299 178.359 176.000 0.100 0.000 0.978 370 Q CA 1.891 57.745 55.803 0.085 0.000 0.844 370 Q CB -0.106 28.685 28.738 0.089 0.000 0.898 370 Q HN 0.330 nan 8.270 nan 0.000 0.426 371 T N 1.203 115.826 114.554 0.115 0.000 2.777 371 T HA -0.105 4.252 4.350 0.012 0.000 0.266 371 T C 1.901 176.682 174.700 0.135 0.000 1.040 371 T CA 1.108 63.292 62.100 0.140 0.000 1.141 371 T CB -0.115 68.868 68.868 0.191 0.000 0.868 371 T HN 0.218 nan 8.240 nan 0.000 0.444 372 M N 0.508 120.185 119.600 0.130 0.000 2.117 372 M HA -0.079 4.408 4.480 0.012 0.000 0.262 372 M C 2.452 178.855 176.300 0.172 0.000 1.065 372 M CA 1.241 56.683 55.300 0.237 0.000 1.114 372 M CB -0.575 32.199 32.600 0.289 0.000 1.361 372 M HN 0.096 nan 8.290 nan 0.000 0.408 373 V N 0.318 120.273 119.914 0.069 0.000 2.343 373 V HA -0.298 3.829 4.120 0.012 0.000 0.247 373 V C 2.340 178.410 176.094 -0.040 0.000 1.051 373 V CA 2.095 64.367 62.300 -0.047 0.000 1.036 373 V CB -0.897 30.942 31.823 0.027 0.000 0.654 373 V HN 0.561 nan 8.190 nan 0.000 0.451 374 Q N -0.309 119.523 119.800 0.052 0.000 2.096 374 Q HA -0.271 4.076 4.340 0.012 0.000 0.204 374 Q C 1.936 178.006 176.000 0.117 0.000 0.982 374 Q CA 2.145 58.000 55.803 0.086 0.000 0.850 374 Q CB -0.119 28.688 28.738 0.116 0.000 0.901 374 Q HN 0.624 nan 8.270 nan 0.000 0.422 375 D N 0.289 120.771 120.400 0.135 0.000 2.097 375 D HA -0.113 4.534 4.640 0.012 0.000 0.197 375 D C 1.929 178.176 176.300 -0.089 0.000 0.984 375 D CA 1.061 55.138 54.000 0.130 0.000 0.826 375 D CB -0.165 40.692 40.800 0.096 0.000 0.973 375 D HN 0.350 nan 8.370 nan 0.000 0.460 376 I N 0.382 120.875 120.570 -0.127 0.000 2.286 376 I HA -0.244 3.933 4.170 0.012 0.000 0.248 376 I C 2.064 178.030 176.117 -0.253 0.000 1.115 376 I CA 0.378 61.499 61.300 -0.299 0.000 1.392 376 I CB -0.016 37.675 38.000 -0.516 0.000 1.065 376 I HN -0.002 nan 8.210 nan 0.000 0.418 377 L N 0.230 121.350 121.223 -0.172 0.000 1.994 377 L HA -0.206 4.142 4.340 0.012 0.000 0.208 377 L C 2.387 179.322 176.870 0.107 0.000 1.071 377 L CA 1.891 56.728 54.840 -0.004 0.000 0.745 377 L CB -0.919 41.166 42.059 0.044 0.000 0.892 377 L HN 0.179 nan 8.230 nan 0.000 0.431 378 L N -1.906 119.405 121.223 0.146 0.000 2.131 378 L HA -0.249 4.098 4.340 0.012 0.000 0.210 378 L C 2.490 179.528 176.870 0.280 0.000 1.092 378 L CA 1.137 56.151 54.840 0.290 0.000 0.759 378 L CB -0.407 41.943 42.059 0.484 0.000 0.903 378 L HN 0.290 nan 8.230 nan 0.000 0.435 379 M N -0.620 118.955 119.600 -0.042 0.000 2.099 379 M HA -0.209 4.278 4.480 0.012 0.000 0.262 379 M C 2.288 178.656 176.300 0.114 0.000 1.067 379 M CA 1.836 57.045 55.300 -0.151 0.000 1.124 379 M CB -0.264 32.007 32.600 -0.549 0.000 1.353 379 M HN 0.049 nan 8.290 nan 0.000 0.410 380 K N -0.077 120.285 120.400 -0.063 0.000 2.097 380 K HA -0.160 4.167 4.320 0.012 0.000 0.205 380 K C 1.966 178.509 176.600 -0.094 0.000 1.050 380 K CA 1.194 57.330 56.287 -0.250 0.000 0.938 380 K CB -0.192 31.929 32.500 -0.632 0.000 0.718 380 K HN 0.430 nan 8.250 nan 0.000 0.442 381 Q N 0.431 120.364 119.800 0.221 0.000 2.291 381 Q HA -0.069 4.278 4.340 0.012 0.000 0.206 381 Q C 0.856 177.154 176.000 0.498 0.000 0.976 381 Q CA 0.861 56.934 55.803 0.449 0.000 0.875 381 Q CB 0.096 29.082 28.738 0.414 0.000 0.927 381 Q HN 0.275 nan 8.270 nan 0.000 0.450 382 N N 0.387 119.325 118.700 0.397 0.000 2.273 382 N HA 0.054 4.802 4.740 0.012 0.000 0.231 382 N C -0.627 174.979 175.510 0.161 0.000 1.134 382 N CA 0.029 53.303 53.050 0.372 0.000 0.856 382 N CB 0.729 39.520 38.487 0.508 0.000 1.068 382 N HN 0.161 nan 8.380 nan 0.000 0.510 383 N N 0.147 118.951 118.700 0.172 0.000 2.782 383 N HA -0.183 4.564 4.740 0.012 0.000 0.251 383 N C -0.789 174.640 175.510 -0.136 0.000 1.101 383 N CA 0.754 53.858 53.050 0.089 0.000 0.764 383 N CB -1.755 36.695 38.487 -0.061 0.000 1.122 383 N HN 0.249 nan 8.380 nan 0.000 0.561 384 F N 1.150 121.115 119.950 0.026 0.000 2.375 384 F HA 0.287 4.821 4.527 0.012 0.000 0.333 384 F C 1.804 177.595 175.800 -0.014 0.000 1.104 384 F CA -0.423 57.577 58.000 0.001 0.000 1.149 384 F CB 0.746 39.724 39.000 -0.036 0.000 1.190 384 F HN 0.063 nan 8.300 nan 0.000 0.533 385 N N 0.573 119.391 118.700 0.196 0.000 2.160 385 N HA 0.437 5.185 4.740 0.012 0.000 0.226 385 N C -0.937 174.629 175.510 0.092 0.000 1.256 385 N CA -0.022 53.072 53.050 0.073 0.000 0.890 385 N CB 0.750 39.326 38.487 0.149 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.536 122.412 122.820 0.214 0.000 2.604 386 A HA 0.740 5.067 4.320 0.012 0.000 0.295 386 A C -1.816 176.005 177.584 0.396 0.000 1.067 386 A CA -0.697 51.539 52.037 0.331 0.000 0.683 386 A CB 1.805 21.010 19.000 0.342 0.000 1.281 386 A HN 0.241 nan 8.150 nan 0.000 0.407 387 V N 1.393 121.587 119.914 0.466 0.000 2.888 387 V HA 0.796 4.923 4.120 0.012 0.000 0.309 387 V C -0.603 175.617 176.094 0.209 0.000 1.114 387 V CA -0.685 61.825 62.300 0.351 0.000 0.940 387 V CB 1.869 33.837 31.823 0.241 0.000 1.021 387 V HN 1.135 nan 8.190 nan 0.000 0.426 388 R N 5.020 125.469 120.500 -0.084 0.000 2.338 388 R HA 0.489 4.836 4.340 0.012 0.000 0.317 388 R C -0.759 175.382 176.300 -0.264 0.000 0.968 388 R CA -0.437 55.426 56.100 -0.395 0.000 0.849 388 R CB 1.106 30.933 30.300 -0.788 0.000 1.128 388 R HN 0.793 nan 8.270 nan 0.000 0.448 389 C N 4.621 123.800 119.300 -0.202 0.000 2.896 389 C HA 0.130 4.598 4.460 0.012 0.000 0.499 389 C C 0.428 175.130 174.990 -0.480 0.000 1.022 389 C CA -0.419 58.429 59.018 -0.283 0.000 1.127 389 C CB -2.013 25.685 27.740 -0.069 0.000 1.452 389 C HN 0.743 nan 8.230 nan 0.000 0.580 390 S N 1.586 116.872 115.700 -0.689 0.000 2.488 390 S HA 0.193 4.670 4.470 0.012 0.000 0.278 390 S C -0.113 173.587 174.600 -1.500 0.000 1.259 390 S CA 0.046 57.584 58.200 -1.104 0.000 1.061 390 S CB 0.215 62.737 63.200 -1.129 0.000 0.910 390 S HN 0.729 nan 8.310 nan 0.000 0.491 391 H N 3.732 122.225 119.070 -0.961 0.000 2.439 391 H HA 0.336 4.899 4.556 0.012 0.000 0.230 391 H C -1.155 174.069 175.328 -0.173 0.000 1.420 391 H CA -0.327 55.524 56.048 -0.327 0.000 1.305 391 H CB -0.202 29.559 29.762 -0.000 0.000 1.667 391 H HN 0.889 nan 8.280 nan 0.000 0.515 392 Y N -2.885 117.515 120.300 0.167 0.000 2.765 392 Y HA 0.362 4.919 4.550 0.012 0.000 0.350 392 Y C -3.351 172.653 175.900 0.174 0.000 1.196 392 Y CA -2.997 55.211 58.100 0.180 0.000 1.119 392 Y CB -0.001 38.572 38.460 0.187 0.000 1.368 392 Y HN -0.076 nan 8.280 nan 0.000 0.463 393 P HA 0.163 nan 4.420 nan 0.000 0.268 393 P C -0.611 176.983 177.300 0.490 0.000 1.205 393 P CA 0.094 63.448 63.100 0.424 0.000 0.771 393 P CB 0.589 32.471 31.700 0.303 0.000 0.858 394 N N 0.515 119.508 118.700 0.489 0.000 2.434 394 N HA 0.076 4.823 4.740 0.012 0.000 0.266 394 N C 0.163 175.916 175.510 0.405 0.000 1.223 394 N CA -0.554 52.698 53.050 0.337 0.000 0.972 394 N CB 0.337 38.807 38.487 -0.029 0.000 1.207 394 N HN 0.605 nan 8.380 nan 0.000 0.525 395 H N 2.333 121.506 119.070 0.171 0.000 3.064 395 H HA -0.010 4.553 4.556 0.012 0.000 0.329 395 H C -1.601 173.887 175.328 0.267 0.000 1.020 395 H CA -0.673 55.461 56.048 0.144 0.000 1.402 395 H CB 0.997 30.811 29.762 0.086 0.000 1.379 395 H HN 0.444 nan 8.280 nan 0.000 0.594 396 P HA -0.197 nan 4.420 nan 0.000 0.218 396 P C 1.771 179.378 177.300 0.512 0.000 1.148 396 P CA 0.630 63.968 63.100 0.397 0.000 0.822 396 P CB 0.255 32.040 31.700 0.142 0.000 0.784 397 L N -0.922 120.682 121.223 0.635 0.000 2.275 397 L HA -0.030 4.317 4.340 0.012 0.000 0.215 397 L C 2.378 179.417 176.870 0.282 0.000 1.119 397 L CA 1.215 56.291 54.840 0.394 0.000 0.790 397 L CB -1.482 40.761 42.059 0.307 0.000 0.919 397 L HN 0.026 nan 8.230 nan 0.000 0.443 398 W N -0.407 120.923 121.300 0.051 0.000 2.318 398 W HA -0.352 4.315 4.660 0.011 0.000 0.313 398 W C 2.065 178.427 176.519 -0.261 0.000 1.221 398 W CA 2.111 59.345 57.345 -0.185 0.000 1.266 398 W CB -0.433 28.828 29.460 -0.331 0.000 1.150 398 W HN 0.274 nan 8.180 nan 0.000 0.496 399 Y N 0.923 121.161 120.300 -0.102 0.000 2.181 399 Y HA -0.231 4.326 4.550 0.012 0.000 0.288 399 Y C 2.884 178.565 175.900 -0.365 0.000 1.146 399 Y CA 2.290 60.109 58.100 -0.469 0.000 1.164 399 Y CB -1.318 36.514 38.460 -1.046 0.000 0.982 399 Y HN -0.212 nan 8.280 nan 0.000 0.515 400 T N 0.882 115.455 114.554 0.030 0.000 2.684 400 T HA -0.201 4.157 4.350 0.012 0.000 0.267 400 T C 2.004 176.745 174.700 0.068 0.000 1.036 400 T CA 1.643 63.836 62.100 0.154 0.000 1.148 400 T CB -0.642 68.358 68.868 0.220 0.000 0.863 400 T HN 0.238 nan 8.240 nan 0.000 0.436 401 L N 0.297 121.517 121.223 -0.005 0.000 2.046 401 L HA -0.106 4.241 4.340 0.012 0.000 0.208 401 L C 2.895 179.732 176.870 -0.055 0.000 1.077 401 L CA 0.971 55.822 54.840 0.019 0.000 0.747 401 L CB -0.737 41.296 42.059 -0.043 0.000 0.896 401 L HN 0.375 nan 8.230 nan 0.000 0.432 402 C N -0.327 118.773 119.300 -0.335 0.000 2.435 402 C HA -0.118 4.349 4.460 0.012 0.000 0.279 402 C C 2.398 177.433 174.990 0.075 0.000 1.321 402 C CA 0.294 59.163 59.018 -0.249 0.000 1.752 402 C CB -0.776 26.710 27.740 -0.425 0.000 1.959 402 C HN 0.534 nan 8.230 nan 0.000 0.500 403 D N 0.591 121.041 120.400 0.083 0.000 2.117 403 D HA -0.095 4.553 4.640 0.012 0.000 0.197 403 D C 2.385 178.902 176.300 0.362 0.000 0.987 403 D CA 1.170 55.300 54.000 0.218 0.000 0.829 403 D CB -0.327 40.559 40.800 0.143 0.000 0.961 403 D HN 0.527 nan 8.370 nan 0.000 0.460 404 R N -0.958 119.645 120.500 0.172 0.000 2.100 404 R HA 0.007 4.354 4.340 0.012 0.000 0.220 404 R C 2.079 178.349 176.300 -0.051 0.000 1.091 404 R CA 0.611 56.743 56.100 0.053 0.000 0.986 404 R CB -0.162 30.091 30.300 -0.079 0.000 0.888 404 R HN 0.280 nan 8.270 nan 0.000 0.444 405 Y N -0.163 120.150 120.300 0.023 0.000 2.448 405 Y HA 0.177 4.734 4.550 0.012 0.000 0.289 405 Y C 0.957 176.797 175.900 -0.100 0.000 1.114 405 Y CA 0.680 58.769 58.100 -0.019 0.000 1.235 405 Y CB 0.738 39.155 38.460 -0.072 0.000 1.045 405 Y HN 0.232 nan 8.280 nan 0.000 0.554 406 G N 1.268 110.112 108.800 0.073 0.000 2.830 406 G HA2 -0.157 3.810 3.960 0.012 0.000 0.298 406 G HA3 -0.157 3.810 3.960 0.012 0.000 0.298 406 G C -1.178 173.574 174.900 -0.246 0.000 1.031 406 G CA -0.560 44.456 45.100 -0.141 0.000 1.179 406 G HN 0.167 nan 8.290 nan 0.000 0.527 407 L N 1.169 122.324 121.223 -0.114 0.000 2.455 407 L HA 0.489 4.836 4.340 0.012 0.000 0.264 407 L C 0.072 176.965 176.870 0.037 0.000 0.968 407 L CA -1.280 53.457 54.840 -0.171 0.000 0.827 407 L CB 1.973 43.949 42.059 -0.139 0.000 1.317 407 L HN 0.464 nan 8.230 nan 0.000 0.407 408 Y N 1.893 122.337 120.300 0.241 0.000 2.359 408 Y HA 0.356 4.914 4.550 0.014 0.000 0.330 408 Y C 0.210 176.249 175.900 0.232 0.000 1.143 408 Y CA -0.678 57.597 58.100 0.292 0.000 1.318 408 Y CB 1.285 39.890 38.460 0.241 0.000 1.234 408 Y HN 0.170 nan 8.280 nan 0.000 0.522 409 V N 4.317 124.435 119.914 0.340 0.000 2.604 409 V HA 0.296 4.423 4.120 0.012 0.000 0.305 409 V C -0.604 175.576 176.094 0.145 0.000 1.043 409 V CA -0.998 61.436 62.300 0.223 0.000 0.888 409 V CB 1.896 33.815 31.823 0.161 0.000 0.995 409 V HN 0.448 nan 8.190 nan 0.000 0.429 410 V N 3.353 123.318 119.914 0.084 0.000 2.333 410 V HA 0.331 4.458 4.120 0.012 0.000 0.274 410 V C -0.292 175.834 176.094 0.052 0.000 1.028 410 V CA -0.356 61.943 62.300 -0.002 0.000 0.851 410 V CB 1.381 33.096 31.823 -0.181 0.000 1.000 410 V HN 0.862 nan 8.190 nan 0.000 0.456 411 D N 4.213 124.687 120.400 0.124 0.000 2.249 411 D HA 0.310 4.957 4.640 0.012 0.000 0.246 411 D C -0.234 176.255 176.300 0.314 0.000 1.114 411 D CA -0.074 54.094 54.000 0.280 0.000 0.854 411 D CB 1.347 42.347 40.800 0.334 0.000 1.132 411 D HN 0.683 nan 8.370 nan 0.000 0.461 412 E N 1.819 122.170 120.200 0.253 0.000 2.210 412 E HA 0.618 4.975 4.350 0.012 0.000 0.266 412 E C -1.016 175.724 176.600 0.233 0.000 0.883 412 E CA -1.051 55.483 56.400 0.224 0.000 0.761 412 E CB 1.382 31.165 29.700 0.138 0.000 1.156 412 E HN 0.459 nan 8.360 nan 0.000 0.412 413 A N 3.799 126.748 122.820 0.216 0.000 2.445 413 A HA 0.062 4.389 4.320 0.012 0.000 0.242 413 A C 0.313 178.024 177.584 0.211 0.000 1.075 413 A CA -0.234 51.910 52.037 0.178 0.000 0.777 413 A CB 0.148 19.217 19.000 0.115 0.000 1.013 413 A HN 0.694 nan 8.150 nan 0.000 0.493 414 N N 1.353 120.186 118.700 0.221 0.000 2.971 414 N HA 0.243 4.990 4.740 0.012 0.000 0.294 414 N C -1.027 174.613 175.510 0.217 0.000 1.210 414 N CA 0.221 53.435 53.050 0.274 0.000 1.157 414 N CB -0.841 37.806 38.487 0.265 0.000 1.450 414 N HN 0.476 nan 8.380 nan 0.000 0.527 415 I N 0.954 121.646 120.570 0.204 0.000 2.503 415 I HA 0.267 4.444 4.170 0.012 0.000 0.282 415 I C -0.530 175.690 176.117 0.172 0.000 1.059 415 I CA -0.607 60.795 61.300 0.170 0.000 1.081 415 I CB 1.649 39.721 38.000 0.120 0.000 1.210 415 I HN 0.233 nan 8.210 nan 0.000 0.450 416 E N 4.367 124.664 120.200 0.162 0.000 2.274 416 E HA 0.396 4.754 4.350 0.012 0.000 0.269 416 E C -0.533 176.133 176.600 0.110 0.000 0.891 416 E CA -0.476 55.990 56.400 0.110 0.000 0.784 416 E CB 1.620 31.366 29.700 0.077 0.000 1.225 416 E HN 0.594 nan 8.360 nan 0.000 0.412 417 T N 0.618 115.230 114.554 0.096 0.000 3.448 417 T HA 0.156 4.513 4.350 0.012 0.000 0.271 417 T C 0.862 175.618 174.700 0.093 0.000 1.002 417 T CA -0.360 61.828 62.100 0.147 0.000 0.995 417 T CB -0.275 68.658 68.868 0.109 0.000 1.153 417 T HN 0.664 nan 8.240 nan 0.000 0.510 418 H N 1.147 120.129 119.070 -0.145 0.000 2.390 418 H HA -0.050 4.513 4.556 0.013 0.000 0.298 418 H C 2.283 177.491 175.328 -0.200 0.000 1.106 418 H CA 1.306 57.241 56.048 -0.189 0.000 1.297 418 H CB -0.172 29.434 29.762 -0.260 0.000 1.375 418 H HN 0.583 nan 8.280 nan 0.000 0.509 419 G N 0.179 108.848 108.800 -0.218 0.000 2.848 419 G HA2 -0.034 3.933 3.960 0.012 0.000 0.208 419 G HA3 -0.034 3.933 3.960 0.012 0.000 0.208 419 G C 0.486 175.501 174.900 0.192 0.000 1.152 419 G CA -0.164 44.848 45.100 -0.148 0.000 0.789 419 G HN 0.145 nan 8.290 nan 0.000 0.531 420 M N 0.307 120.062 119.600 0.258 0.000 2.198 420 M HA 0.344 4.831 4.480 0.012 0.000 0.315 420 M C -0.336 175.999 176.300 0.058 0.000 1.134 420 M CA -0.322 55.073 55.300 0.159 0.000 1.171 420 M CB 1.378 34.025 32.600 0.079 0.000 1.413 420 M HN -0.206 nan 8.290 nan 0.000 0.467 421 V N 3.491 123.417 119.914 0.019 0.000 2.525 421 V HA 0.378 4.505 4.120 0.012 0.000 0.299 421 V C -1.961 174.123 176.094 -0.016 0.000 1.034 421 V CA -1.317 60.981 62.300 -0.004 0.000 0.863 421 V CB 1.914 33.730 31.823 -0.012 0.000 0.999 421 V HN 0.743 nan 8.190 nan 0.000 0.423 422 P HA 0.201 nan 4.420 nan 0.000 0.274 422 P C 0.921 178.222 177.300 0.001 0.000 1.260 422 P CA -0.430 62.664 63.100 -0.010 0.000 0.793 422 P CB 1.017 32.712 31.700 -0.009 0.000 1.048 423 M N 0.640 120.246 119.600 0.010 0.000 2.279 423 M HA -0.158 4.329 4.480 0.012 0.000 0.264 423 M C 1.167 177.490 176.300 0.038 0.000 1.062 423 M CA 1.653 56.969 55.300 0.027 0.000 1.099 423 M CB -0.458 32.147 32.600 0.009 0.000 1.394 423 M HN 0.355 nan 8.290 nan 0.000 0.426 424 N N -0.143 118.579 118.700 0.037 0.000 2.313 424 N HA -0.070 4.677 4.740 0.012 0.000 0.207 424 N C 1.106 176.601 175.510 -0.024 0.000 1.141 424 N CA 0.143 53.218 53.050 0.043 0.000 0.830 424 N CB -0.699 37.831 38.487 0.073 0.000 1.008 424 N HN 0.358 nan 8.380 nan 0.000 0.481 425 R N 0.394 120.865 120.500 -0.049 0.000 2.091 425 R HA 0.012 4.360 4.340 0.012 0.000 0.238 425 R C 1.446 177.649 176.300 -0.161 0.000 1.136 425 R CA 1.317 57.363 56.100 -0.090 0.000 0.959 425 R CB -0.046 30.195 30.300 -0.098 0.000 0.856 425 R HN 0.289 nan 8.270 nan 0.000 0.437 426 L N -0.588 120.483 121.223 -0.255 0.000 2.168 426 L HA -0.011 4.336 4.340 0.012 0.000 0.203 426 L C 2.506 179.249 176.870 -0.213 0.000 1.078 426 L CA 1.326 55.904 54.840 -0.438 0.000 0.780 426 L CB -0.595 40.961 42.059 -0.839 0.000 0.939 426 L HN 0.357 nan 8.230 nan 0.000 0.451 427 T N -4.196 110.262 114.554 -0.160 0.000 3.007 427 T HA -0.174 4.183 4.350 0.012 0.000 0.270 427 T C 1.293 175.905 174.700 -0.146 0.000 1.107 427 T CA 1.284 63.268 62.100 -0.193 0.000 1.118 427 T CB -0.242 68.459 68.868 -0.279 0.000 0.889 427 T HN 0.116 nan 8.240 nan 0.000 0.506 428 D N 1.090 121.441 120.400 -0.081 0.000 2.349 428 D HA 0.105 4.752 4.640 0.012 0.000 0.214 428 D C -0.192 176.089 176.300 -0.031 0.000 1.063 428 D CA -0.142 53.822 54.000 -0.060 0.000 0.847 428 D CB -0.067 40.705 40.800 -0.048 0.000 0.933 428 D HN 0.344 nan 8.370 nan 0.000 0.513 429 D N -0.143 120.254 120.400 -0.006 0.000 2.280 429 D HA 0.115 4.762 4.640 0.012 0.000 0.236 429 D C -1.652 174.693 176.300 0.075 0.000 1.082 429 D CA -2.191 51.840 54.000 0.050 0.000 0.834 429 D CB 2.046 42.914 40.800 0.113 0.000 1.100 429 D HN -0.024 nan 8.370 nan 0.000 0.486 430 P HA -0.099 nan 4.420 nan 0.000 0.225 430 P C 0.990 178.292 177.300 0.002 0.000 1.148 430 P CA 0.630 63.736 63.100 0.011 0.000 0.779 430 P CB 0.435 32.132 31.700 -0.005 0.000 0.780 431 R N -1.798 118.710 120.500 0.015 0.000 2.235 431 R HA -0.049 4.299 4.340 0.012 0.000 0.213 431 R C 1.373 177.561 176.300 -0.186 0.000 1.059 431 R CA 1.011 57.057 56.100 -0.089 0.000 0.997 431 R CB -0.431 29.808 30.300 -0.101 0.000 0.884 431 R HN 0.295 nan 8.270 nan 0.000 0.462 432 W N -0.615 120.630 121.300 -0.092 0.000 3.239 432 W HA 0.159 4.825 4.660 0.011 0.000 0.348 432 W C 1.215 177.676 176.519 -0.098 0.000 1.183 432 W CA -0.524 56.766 57.345 -0.092 0.000 1.819 432 W CB 0.167 29.572 29.460 -0.093 0.000 1.091 432 W HN 0.031 nan 8.180 nan 0.000 0.629 433 L N 2.128 123.373 121.223 0.037 0.000 2.056 433 L HA 0.007 4.354 4.340 0.012 0.000 0.207 433 L C -0.702 176.132 176.870 -0.059 0.000 1.078 433 L CA 2.134 56.961 54.840 -0.022 0.000 0.749 433 L CB -1.594 40.443 42.059 -0.036 0.000 0.901 433 L HN -0.239 nan 8.230 nan 0.000 0.433 434 P HA -0.134 nan 4.420 nan 0.000 0.215 434 P C 1.618 178.862 177.300 -0.093 0.000 1.157 434 P CA 2.164 65.201 63.100 -0.104 0.000 0.868 434 P CB -0.210 31.417 31.700 -0.122 0.000 0.788 435 A N -1.049 121.727 122.820 -0.072 0.000 1.902 435 A HA -0.182 4.145 4.320 0.012 0.000 0.217 435 A C 2.228 179.823 177.584 0.019 0.000 1.181 435 A CA 1.917 53.945 52.037 -0.015 0.000 0.623 435 A CB -1.459 17.563 19.000 0.037 0.000 0.818 435 A HN 0.102 nan 8.150 nan 0.000 0.443 436 M N 0.313 119.933 119.600 0.034 0.000 2.132 436 M HA -0.148 4.340 4.480 0.012 0.000 0.263 436 M C 2.549 178.793 176.300 -0.094 0.000 1.065 436 M CA 1.704 56.999 55.300 -0.009 0.000 1.122 436 M CB -0.414 32.160 32.600 -0.044 0.000 1.365 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.537 116.153 115.700 -0.141 0.000 2.365 437 S HA -0.224 4.253 4.470 0.012 0.000 0.225 437 S C 1.658 176.084 174.600 -0.290 0.000 1.039 437 S CA 1.697 59.743 58.200 -0.256 0.000 1.033 437 S CB -0.730 62.298 63.200 -0.288 0.000 0.887 437 S HN 0.530 nan 8.310 nan 0.000 0.447 438 E N 1.048 121.129 120.200 -0.198 0.000 2.153 438 E HA -0.115 4.242 4.350 0.012 0.000 0.194 438 E C 2.451 178.962 176.600 -0.149 0.000 0.988 438 E CA 1.052 57.344 56.400 -0.181 0.000 0.811 438 E CB -0.156 29.475 29.700 -0.116 0.000 0.746 438 E HN 0.587 nan 8.360 nan 0.000 0.466 439 R N 0.066 120.510 120.500 -0.093 0.000 2.115 439 R HA -0.070 4.278 4.340 0.012 0.000 0.230 439 R C 2.289 178.543 176.300 -0.076 0.000 1.111 439 R CA 0.674 56.749 56.100 -0.041 0.000 0.976 439 R CB 0.013 30.329 30.300 0.028 0.000 0.870 439 R HN 0.019 nan 8.270 nan 0.000 0.445 440 V N 0.237 120.060 119.914 -0.152 0.000 2.331 440 V HA -0.189 3.938 4.120 0.012 0.000 0.242 440 V C 2.515 178.420 176.094 -0.315 0.000 1.034 440 V CA 2.163 64.352 62.300 -0.186 0.000 1.027 440 V CB -0.373 31.330 31.823 -0.200 0.000 0.667 440 V HN 0.521 nan 8.190 nan 0.000 0.457 441 T N -0.732 113.499 114.554 -0.538 0.000 2.788 441 T HA -0.252 4.105 4.350 0.012 0.000 0.268 441 T C 1.937 176.462 174.700 -0.292 0.000 1.044 441 T CA 1.489 63.166 62.100 -0.705 0.000 1.139 441 T CB -0.421 67.835 68.868 -1.021 0.000 0.867 441 T HN 0.403 nan 8.240 nan 0.000 0.454 442 R N 0.204 120.564 120.500 -0.234 0.000 2.148 442 R HA 0.198 4.545 4.340 0.012 0.000 0.227 442 R C 2.640 178.857 176.300 -0.138 0.000 1.103 442 R CA 1.397 57.400 56.100 -0.161 0.000 0.983 442 R CB -0.443 29.772 30.300 -0.141 0.000 0.874 442 R HN 0.503 nan 8.270 nan 0.000 0.451 443 M N 0.519 120.045 119.600 -0.123 0.000 2.099 443 M HA -0.126 4.362 4.480 0.012 0.000 0.262 443 M C 1.831 178.051 176.300 -0.133 0.000 1.067 443 M CA 1.594 56.854 55.300 -0.067 0.000 1.124 443 M CB 0.126 32.730 32.600 0.007 0.000 1.353 443 M HN -0.037 nan 8.290 nan 0.000 0.410 444 V N 1.096 120.820 119.914 -0.316 0.000 2.343 444 V HA -0.291 3.837 4.120 0.012 0.000 0.247 444 V C 2.285 178.256 176.094 -0.205 0.000 1.051 444 V CA 2.036 64.011 62.300 -0.542 0.000 1.036 444 V CB -0.980 30.479 31.823 -0.605 0.000 0.654 444 V HN 0.593 nan 8.190 nan 0.000 0.451 445 Q N -0.600 119.119 119.800 -0.135 0.000 2.170 445 Q HA -0.221 4.126 4.340 0.012 0.000 0.203 445 Q C 2.476 178.381 176.000 -0.158 0.000 0.976 445 Q CA 1.553 57.285 55.803 -0.119 0.000 0.858 445 Q CB -0.190 28.502 28.738 -0.077 0.000 0.907 445 Q HN 0.546 nan 8.270 nan 0.000 0.433 446 R N 0.289 120.693 120.500 -0.161 0.000 2.100 446 R HA -0.085 4.262 4.340 0.012 0.000 0.220 446 R C 0.369 176.591 176.300 -0.130 0.000 1.091 446 R CA 1.244 57.225 56.100 -0.198 0.000 0.986 446 R CB 0.457 30.639 30.300 -0.197 0.000 0.888 446 R HN 0.129 nan 8.270 nan 0.000 0.444 447 D N -0.313 120.079 120.400 -0.015 0.000 2.433 447 D HA 0.011 4.659 4.640 0.012 0.000 0.211 447 D C 1.250 177.666 176.300 0.193 0.000 1.114 447 D CA 0.028 54.067 54.000 0.064 0.000 0.837 447 D CB 0.348 41.118 40.800 -0.050 0.000 0.984 447 D HN 0.350 nan 8.370 nan 0.000 0.505 448 R N 0.586 121.215 120.500 0.215 0.000 2.241 448 R HA 0.001 4.349 4.340 0.012 0.000 0.224 448 R C 0.702 177.012 176.300 0.017 0.000 1.101 448 R CA 0.946 57.187 56.100 0.236 0.000 0.995 448 R CB -0.228 30.145 30.300 0.122 0.000 0.870 448 R HN -0.101 nan 8.270 nan 0.000 0.463 449 N N 0.193 118.829 118.700 -0.106 0.000 2.280 449 N HA 0.010 4.757 4.740 0.012 0.000 0.192 449 N C -0.561 174.841 175.510 -0.181 0.000 1.109 449 N CA 0.200 53.164 53.050 -0.142 0.000 0.855 449 N CB 0.125 38.502 38.487 -0.183 0.000 0.974 449 N HN 0.273 nan 8.380 nan 0.000 0.482 450 H N 1.374 120.384 119.070 -0.100 0.000 2.742 450 H HA 0.107 4.670 4.556 0.012 0.000 0.302 450 H C -1.196 173.982 175.328 -0.250 0.000 1.069 450 H CA -1.287 54.686 56.048 -0.126 0.000 1.446 450 H CB 1.521 31.239 29.762 -0.074 0.000 1.462 450 H HN 0.047 nan 8.280 nan 0.000 0.499 451 P HA -0.156 nan 4.420 nan 0.000 0.220 451 P C 1.402 178.189 177.300 -0.855 0.000 1.148 451 P CA 1.105 63.824 63.100 -0.634 0.000 0.803 451 P CB 0.286 31.347 31.700 -1.066 0.000 0.782 452 S N -0.846 114.483 115.700 -0.618 0.000 2.399 452 S HA -0.043 4.434 4.470 0.012 0.000 0.231 452 S C 1.118 175.684 174.600 -0.057 0.000 1.022 452 S CA 0.366 58.391 58.200 -0.292 0.000 0.983 452 S CB -1.467 61.715 63.200 -0.031 0.000 0.803 452 S HN -0.057 nan 8.310 nan 0.000 0.480 453 V N 3.668 123.520 119.914 -0.103 0.000 2.439 453 V HA 0.223 4.350 4.120 0.012 0.000 0.271 453 V C 1.118 177.074 176.094 -0.231 0.000 1.040 453 V CA 0.043 62.252 62.300 -0.152 0.000 1.002 453 V CB 0.403 32.044 31.823 -0.302 0.000 1.000 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.718 123.209 120.570 -0.131 0.000 4.187 454 I HA 0.507 4.684 4.170 0.012 0.000 0.326 454 I C 0.389 176.394 176.117 -0.187 0.000 1.302 454 I CA 0.518 61.750 61.300 -0.113 0.000 1.196 454 I CB 0.505 38.521 38.000 0.027 0.000 1.095 454 I HN 0.322 nan 8.210 nan 0.000 0.411 455 I N 0.175 120.613 120.570 -0.220 0.000 2.656 455 I HA 0.359 4.536 4.170 0.012 0.000 0.292 455 I C -1.573 174.446 176.117 -0.162 0.000 1.144 455 I CA -0.376 60.836 61.300 -0.146 0.000 1.038 455 I CB 2.146 40.154 38.000 0.013 0.000 1.244 455 I HN 0.025 nan 8.210 nan 0.000 0.420 456 W N 3.932 125.282 121.300 0.083 0.000 2.496 456 W HA 0.643 5.309 4.660 0.010 0.000 0.327 456 W C 0.369 176.954 176.519 0.110 0.000 1.086 456 W CA -0.666 56.733 57.345 0.091 0.000 1.222 456 W CB 1.700 31.210 29.460 0.083 0.000 1.304 456 W HN 0.312 nan 8.180 nan 0.000 0.547 457 S N 2.515 118.446 115.700 0.386 0.000 2.513 457 S HA 0.417 4.894 4.470 0.012 0.000 0.299 457 S C 0.142 174.913 174.600 0.285 0.000 1.087 457 S CA -0.716 57.662 58.200 0.297 0.000 1.012 457 S CB 0.870 64.198 63.200 0.212 0.000 1.044 457 S HN 0.586 nan 8.310 nan 0.000 0.485 458 L N 4.021 125.410 121.223 0.276 0.000 2.627 458 L HA 0.346 4.693 4.340 0.012 0.000 0.233 458 L C 1.388 178.325 176.870 0.111 0.000 1.144 458 L CA 0.499 55.417 54.840 0.130 0.000 0.892 458 L CB -1.153 40.869 42.059 -0.062 0.000 1.039 458 L HN 1.028 nan 8.230 nan 0.000 0.442 459 G N 0.134 109.088 108.800 0.256 0.000 2.297 459 G HA2 -0.158 3.809 3.960 0.012 0.000 0.209 459 G HA3 -0.158 3.809 3.960 0.012 0.000 0.209 459 G C -1.498 173.605 174.900 0.339 0.000 1.267 459 G CA -0.524 44.732 45.100 0.259 0.000 1.127 459 G HN 0.201 nan 8.290 nan 0.000 0.498 460 N N 0.146 118.981 118.700 0.227 0.000 2.405 460 N HA 0.475 5.222 4.740 0.012 0.000 0.274 460 N C -0.468 174.996 175.510 -0.076 0.000 1.170 460 N CA 0.148 53.181 53.050 -0.027 0.000 0.848 460 N CB 1.602 39.799 38.487 -0.482 0.000 1.629 460 N HN 0.905 nan 8.380 nan 0.000 0.481 461 E N 0.649 120.713 120.200 -0.226 0.000 2.160 461 E HA -0.176 4.181 4.350 0.012 0.000 0.180 461 E C -0.855 175.667 176.600 -0.129 0.000 1.452 461 E CA 0.797 56.989 56.400 -0.345 0.000 0.683 461 E CB -1.267 27.989 29.700 -0.741 0.000 1.072 461 E HN 0.437 nan 8.360 nan 0.000 0.332 462 S N 0.027 115.790 115.700 0.105 0.000 2.902 462 S HA 0.397 4.874 4.470 0.012 0.000 0.250 462 S C 0.629 175.405 174.600 0.292 0.000 1.046 462 S CA -0.186 58.137 58.200 0.205 0.000 1.069 462 S CB 1.382 64.764 63.200 0.303 0.000 0.967 462 S HN 0.841 nan 8.310 nan 0.000 0.530 463 G N 2.028 110.925 108.800 0.163 0.000 2.598 463 G HA2 -0.276 3.691 3.960 0.012 0.000 0.269 463 G HA3 -0.276 3.691 3.960 0.012 0.000 0.269 463 G C -0.469 174.636 174.900 0.340 0.000 1.289 463 G CA -0.036 45.163 45.100 0.166 0.000 0.926 463 G HN 0.665 nan 8.290 nan 0.000 0.567 464 H N 0.407 119.596 119.070 0.198 0.000 2.800 464 H HA 0.565 5.128 4.556 0.011 0.000 0.322 464 H C 0.359 175.857 175.328 0.284 0.000 0.979 464 H CA -0.182 56.025 56.048 0.264 0.000 1.277 464 H CB 0.579 30.427 29.762 0.143 0.000 1.484 464 H HN 0.976 nan 8.280 nan 0.000 0.512 465 G N 1.599 110.597 108.800 0.330 0.000 2.537 465 G HA2 0.441 4.408 3.960 0.012 0.000 0.308 465 G HA3 0.441 4.408 3.960 0.012 0.000 0.308 465 G C 0.627 175.458 174.900 -0.116 0.000 1.237 465 G CA -0.152 44.929 45.100 -0.031 0.000 0.968 465 G HN 0.694 nan 8.290 nan 0.000 0.481 466 A N 0.613 123.358 122.820 -0.124 0.000 2.024 466 A HA -0.107 4.220 4.320 0.012 0.000 0.220 466 A C 2.101 179.670 177.584 -0.025 0.000 1.164 466 A CA 1.807 53.804 52.037 -0.067 0.000 0.643 466 A CB -0.374 18.600 19.000 -0.044 0.000 0.806 466 A HN 0.534 nan 8.150 nan 0.000 0.451 467 N N -0.390 118.259 118.700 -0.086 0.000 2.289 467 N HA -0.121 4.626 4.740 0.012 0.000 0.184 467 N C 1.324 176.776 175.510 -0.095 0.000 1.016 467 N CA 1.534 54.519 53.050 -0.109 0.000 0.872 467 N CB -0.605 37.774 38.487 -0.180 0.000 0.973 467 N HN 0.790 nan 8.380 nan 0.000 0.433 468 H N 0.101 119.171 119.070 -0.000 0.000 2.395 468 H HA 0.012 4.575 4.556 0.012 0.000 0.299 468 H C 1.159 176.564 175.328 0.127 0.000 1.070 468 H CA 1.039 57.092 56.048 0.009 0.000 1.356 468 H CB 0.238 30.019 29.762 0.032 0.000 1.401 468 H HN 0.151 nan 8.280 nan 0.000 0.524 469 D N 0.423 120.992 120.400 0.282 0.000 2.117 469 D HA -0.107 4.540 4.640 0.012 0.000 0.198 469 D C 2.281 178.732 176.300 0.251 0.000 0.982 469 D CA 1.119 55.276 54.000 0.261 0.000 0.828 469 D CB -0.350 40.567 40.800 0.195 0.000 0.967 469 D HN 0.414 nan 8.370 nan 0.000 0.464 470 A N 0.723 123.642 122.820 0.166 0.000 1.902 470 A HA -0.113 4.215 4.320 0.012 0.000 0.217 470 A C 2.382 180.077 177.584 0.185 0.000 1.181 470 A CA 0.926 53.050 52.037 0.145 0.000 0.623 470 A CB -0.703 18.341 19.000 0.073 0.000 0.818 470 A HN 0.202 nan 8.150 nan 0.000 0.443 471 L N -2.212 119.106 121.223 0.159 0.000 2.156 471 L HA -0.119 4.228 4.340 0.012 0.000 0.208 471 L C 2.550 179.565 176.870 0.242 0.000 1.095 471 L CA 1.395 56.330 54.840 0.158 0.000 0.770 471 L CB -0.677 41.402 42.059 0.033 0.000 0.914 471 L HN 0.598 nan 8.230 nan 0.000 0.439 472 Y N 1.391 121.778 120.300 0.144 0.000 2.128 472 Y HA -0.347 4.209 4.550 0.009 0.000 0.284 472 Y C 2.831 178.812 175.900 0.136 0.000 1.154 472 Y CA 1.895 60.081 58.100 0.142 0.000 1.149 472 Y CB -0.161 38.383 38.460 0.140 0.000 0.976 472 Y HN -0.030 nan 8.280 nan 0.000 0.505 473 R N -0.214 120.412 120.500 0.210 0.000 2.096 473 R HA -0.199 4.148 4.340 0.012 0.000 0.235 473 R C 2.043 178.348 176.300 0.008 0.000 1.127 473 R CA 1.893 58.034 56.100 0.068 0.000 0.968 473 R CB -1.405 29.009 30.300 0.190 0.000 0.861 473 R HN 0.647 nan 8.270 nan 0.000 0.440 474 W N 0.507 121.766 121.300 -0.067 0.000 2.335 474 W HA -0.159 4.509 4.660 0.013 0.000 0.311 474 W C 1.627 178.054 176.519 -0.154 0.000 1.213 474 W CA 2.081 59.369 57.345 -0.094 0.000 1.274 474 W CB -0.264 29.145 29.460 -0.084 0.000 1.148 474 W HN 0.087 nan 8.180 nan 0.000 0.498 475 I N 0.725 121.297 120.570 0.003 0.000 2.252 475 I HA -0.320 3.857 4.170 0.012 0.000 0.245 475 I C 2.388 178.297 176.117 -0.347 0.000 1.102 475 I CA 1.255 62.395 61.300 -0.267 0.000 1.385 475 I CB -0.688 37.226 38.000 -0.143 0.000 1.064 475 I HN -0.114 nan 8.210 nan 0.000 0.414 476 K N 0.787 120.991 120.400 -0.327 0.000 2.147 476 K HA -0.091 4.237 4.320 0.012 0.000 0.205 476 K C 2.215 178.672 176.600 -0.238 0.000 1.049 476 K CA 1.354 57.471 56.287 -0.283 0.000 0.936 476 K CB -0.413 31.873 32.500 -0.357 0.000 0.722 476 K HN 0.310 nan 8.250 nan 0.000 0.446 477 S N 1.152 116.676 115.700 -0.293 0.000 2.357 477 S HA -0.096 4.381 4.470 0.012 0.000 0.221 477 S C 2.270 176.655 174.600 -0.359 0.000 1.031 477 S CA 1.356 59.387 58.200 -0.281 0.000 0.982 477 S CB -0.474 62.566 63.200 -0.266 0.000 0.853 477 S HN 0.289 nan 8.310 nan 0.000 0.458 478 V N 0.000 119.556 119.914 -0.598 0.000 2.719 478 V HA 0.142 4.269 4.120 0.012 0.000 0.252 478 V C 0.324 176.187 176.094 -0.386 0.000 1.065 478 V CA 1.467 63.408 62.300 -0.598 0.000 1.086 478 V CB -0.385 30.826 31.823 -1.020 0.000 0.700 478 V HN 0.313 nan 8.190 nan 0.000 0.467 479 D N 0.456 120.674 120.400 -0.303 0.000 2.363 479 D HA 0.397 5.045 4.640 0.012 0.000 0.258 479 D C -2.297 173.987 176.300 -0.026 0.000 1.259 479 D CA -1.925 52.010 54.000 -0.109 0.000 0.921 479 D CB 1.682 42.500 40.800 0.031 0.000 1.201 479 D HN 0.180 nan 8.370 nan 0.000 0.524 480 P HA -0.012 nan 4.420 nan 0.000 0.242 480 P C 1.128 178.445 177.300 0.029 0.000 1.197 480 P CA 0.425 63.516 63.100 -0.014 0.000 0.765 480 P CB 0.144 31.830 31.700 -0.023 0.000 0.936 481 S N -1.466 114.261 115.700 0.046 0.000 2.522 481 S HA 0.067 4.544 4.470 0.012 0.000 0.227 481 S C 0.879 175.507 174.600 0.047 0.000 0.986 481 S CA 0.005 58.237 58.200 0.052 0.000 0.929 481 S CB -0.338 62.888 63.200 0.042 0.000 0.769 481 S HN 0.057 nan 8.310 nan 0.000 0.529 482 R N 0.941 121.481 120.500 0.066 0.000 2.673 482 R HA 0.560 4.908 4.340 0.012 0.000 0.281 482 R C -3.228 173.121 176.300 0.081 0.000 0.991 482 R CA -2.188 53.919 56.100 0.011 0.000 0.896 482 R CB 1.585 31.783 30.300 -0.170 0.000 1.201 482 R HN 0.131 nan 8.270 nan 0.000 0.457 483 P HA 0.141 nan 4.420 nan 0.000 0.274 483 P C -0.911 176.494 177.300 0.175 0.000 1.237 483 P CA -0.433 62.732 63.100 0.108 0.000 0.793 483 P CB 0.760 32.510 31.700 0.084 0.000 0.977 484 V N 2.282 122.329 119.914 0.222 0.000 2.555 484 V HA 0.418 4.546 4.120 0.012 0.000 0.302 484 V C 0.188 176.465 176.094 0.304 0.000 1.038 484 V CA -0.349 62.130 62.300 0.299 0.000 0.887 484 V CB 1.294 33.275 31.823 0.265 0.000 0.991 484 V HN 0.606 nan 8.190 nan 0.000 0.434 485 Q N 3.477 123.437 119.800 0.266 0.000 2.458 485 Q HA 0.817 5.164 4.340 0.012 0.000 0.282 485 Q C -1.830 174.325 176.000 0.257 0.000 1.106 485 Q CA -0.935 54.988 55.803 0.199 0.000 0.814 485 Q CB 2.991 31.794 28.738 0.108 0.000 1.425 485 Q HN 0.629 nan 8.270 nan 0.000 0.437 486 Y N -0.073 120.229 120.300 0.004 0.000 2.357 486 Y HA 0.128 4.684 4.550 0.011 0.000 0.319 486 Y C -0.610 175.222 175.900 -0.113 0.000 1.225 486 Y CA -0.771 57.298 58.100 -0.052 0.000 1.095 486 Y CB 1.935 40.349 38.460 -0.077 0.000 1.302 486 Y HN 0.947 nan 8.280 nan 0.000 0.429 487 E N 3.320 122.988 120.200 -0.886 0.000 2.318 487 E HA 0.139 4.497 4.350 0.012 0.000 0.193 487 E C 0.672 176.823 176.600 -0.749 0.000 0.998 487 E CA 0.754 56.768 56.400 -0.643 0.000 0.859 487 E CB 0.256 29.718 29.700 -0.397 0.000 0.812 487 E HN 0.886 nan 8.360 nan 0.000 0.492 488 G N -0.152 107.805 108.800 -1.404 0.000 2.559 488 G HA2 0.233 4.200 3.960 0.012 0.000 0.235 488 G HA3 0.233 4.200 3.960 0.012 0.000 0.235 488 G C 0.798 175.541 174.900 -0.262 0.000 1.266 488 G CA 0.297 44.990 45.100 -0.679 0.000 0.847 488 G HN 0.344 nan 8.290 nan 0.000 0.583 489 G N -0.601 108.157 108.800 -0.069 0.000 2.160 489 G HA2 0.234 4.201 3.960 0.012 0.000 0.251 489 G HA3 0.234 4.201 3.960 0.012 0.000 0.251 489 G C 1.276 176.188 174.900 0.020 0.000 1.008 489 G CA 0.977 46.102 45.100 0.043 0.000 0.724 489 G HN 2.652 nan 8.290 nan 0.000 0.514 490 G N -1.422 107.378 108.800 -0.001 0.000 2.168 490 G HA2 0.425 4.392 3.960 0.012 0.000 0.197 490 G HA3 0.425 4.392 3.960 0.012 0.000 0.197 490 G C 1.070 176.102 174.900 0.220 0.000 0.997 490 G CA 1.205 46.372 45.100 0.112 0.000 0.658 490 G HN 2.374 nan 8.290 nan 0.000 0.513 491 A N -0.410 122.416 122.820 0.010 0.000 3.413 491 A HA -0.113 4.215 4.320 0.012 0.000 0.268 491 A C 1.113 178.639 177.584 -0.097 0.000 1.128 491 A CA 2.627 54.609 52.037 -0.091 0.000 1.062 491 A CB -1.701 17.225 19.000 -0.123 0.000 1.121 491 A HN 2.150 nan 8.150 nan 0.000 0.895 492 D N -1.075 119.351 120.400 0.043 0.000 2.785 492 D HA 0.306 4.953 4.640 0.012 0.000 0.324 492 D C 0.342 176.649 176.300 0.011 0.000 1.523 492 D CA 0.789 54.817 54.000 0.047 0.000 0.789 492 D CB -1.168 39.805 40.800 0.288 0.000 1.171 492 D HN 0.813 nan 8.370 nan 0.000 0.447 493 T N -2.462 112.029 114.554 -0.104 0.000 2.732 493 T HA 0.234 4.592 4.350 0.012 0.000 0.287 493 T C 1.599 176.171 174.700 -0.214 0.000 0.993 493 T CA 0.402 62.378 62.100 -0.206 0.000 0.966 493 T CB 0.883 69.383 68.868 -0.614 0.000 1.047 493 T HN 0.075 nan 8.240 nan 0.000 0.527 494 T N -2.561 111.872 114.554 -0.202 0.000 3.163 494 T HA 0.209 4.566 4.350 0.012 0.000 0.260 494 T C 1.453 175.911 174.700 -0.405 0.000 1.156 494 T CA 0.260 62.245 62.100 -0.191 0.000 1.072 494 T CB -0.492 68.352 68.868 -0.040 0.000 0.937 494 T HN 0.834 nan 8.240 nan 0.000 0.528 495 A N 0.426 123.009 122.820 -0.394 0.000 2.507 495 A HA 0.530 4.858 4.320 0.012 0.000 0.270 495 A C 0.743 178.176 177.584 -0.252 0.000 1.318 495 A CA -0.365 51.431 52.037 -0.401 0.000 0.924 495 A CB 0.071 19.069 19.000 -0.003 0.000 1.061 495 A HN 0.415 nan 8.150 nan 0.000 0.516 496 T N -1.362 113.032 114.554 -0.266 0.000 2.952 496 T HA 0.354 4.711 4.350 0.012 0.000 0.305 496 T C -0.647 174.064 174.700 0.019 0.000 1.064 496 T CA -0.433 61.659 62.100 -0.013 0.000 1.008 496 T CB 1.233 70.085 68.868 -0.026 0.000 1.078 496 T HN 0.091 nan 8.240 nan 0.000 0.459 497 D N 2.843 123.342 120.400 0.165 0.000 2.348 497 D HA 0.256 4.903 4.640 0.012 0.000 0.211 497 D C 0.370 176.700 176.300 0.049 0.000 0.998 497 D CA 0.710 54.791 54.000 0.135 0.000 0.873 497 D CB 0.406 41.320 40.800 0.191 0.000 0.925 497 D HN 0.541 nan 8.370 nan 0.000 0.524 498 I N 1.026 121.606 120.570 0.017 0.000 2.498 498 I HA 0.256 4.433 4.170 0.012 0.000 0.290 498 I C -0.163 175.888 176.117 -0.111 0.000 1.032 498 I CA -0.899 60.378 61.300 -0.038 0.000 1.073 498 I CB 2.766 40.755 38.000 -0.018 0.000 1.251 498 I HN -0.356 nan 8.210 nan 0.000 0.426 499 I N 5.770 126.229 120.570 -0.185 0.000 2.505 499 I HA 0.039 4.217 4.170 0.012 0.000 0.287 499 I C 0.228 176.130 176.117 -0.359 0.000 1.104 499 I CA 0.039 61.133 61.300 -0.344 0.000 1.387 499 I CB 0.141 37.838 38.000 -0.505 0.000 1.404 499 I HN 0.688 nan 8.210 nan 0.000 0.528 500 C N 5.571 124.674 119.300 -0.328 0.000 3.401 500 C HA 0.460 4.927 4.460 0.012 0.000 0.204 500 C C -2.152 172.698 174.990 -0.233 0.000 1.522 500 C CA -2.274 56.605 59.018 -0.231 0.000 1.409 500 C CB -0.944 26.721 27.740 -0.125 0.000 1.967 500 C HN 0.416 nan 8.230 nan 0.000 0.496 501 P HA 0.299 nan 4.420 nan 0.000 0.272 501 P C -0.434 176.808 177.300 -0.096 0.000 1.240 501 P CA 0.371 63.364 63.100 -0.177 0.000 0.791 501 P CB 0.738 32.337 31.700 -0.169 0.000 0.978 502 M N 0.180 119.750 119.600 -0.051 0.000 2.181 502 M HA 0.454 4.941 4.480 0.012 0.000 0.323 502 M C -0.803 175.476 176.300 -0.034 0.000 1.004 502 M CA -0.655 54.505 55.300 -0.234 0.000 0.941 502 M CB 1.129 33.596 32.600 -0.222 0.000 1.579 502 M HN 0.327 nan 8.290 nan 0.000 0.427 503 Y N -0.232 120.240 120.300 0.287 0.000 4.490 503 Y HA -0.212 4.346 4.550 0.013 0.000 0.233 503 Y C 0.488 176.567 175.900 0.299 0.000 1.101 503 Y CA 0.405 58.680 58.100 0.291 0.000 2.010 503 Y CB -2.252 36.351 38.460 0.240 0.000 1.622 503 Y HN 0.981 nan 8.280 nan 0.000 0.675 504 A N 1.183 124.222 122.820 0.366 0.000 2.440 504 A HA 0.572 4.899 4.320 0.012 0.000 0.251 504 A C 0.724 178.538 177.584 0.383 0.000 1.089 504 A CA -0.426 51.836 52.037 0.375 0.000 0.779 504 A CB 0.393 19.655 19.000 0.437 0.000 1.022 504 A HN 0.414 nan 8.150 nan 0.000 0.492 505 R N 1.457 122.110 120.500 0.255 0.000 2.546 505 R HA 0.318 4.665 4.340 0.012 0.000 0.266 505 R C 1.055 177.326 176.300 -0.048 0.000 1.086 505 R CA -0.699 55.479 56.100 0.129 0.000 1.160 505 R CB 0.633 30.980 30.300 0.078 0.000 1.138 505 R HN 0.496 nan 8.270 nan 0.000 0.567 506 V N 0.775 120.485 119.914 -0.340 0.000 2.270 506 V HA -0.216 3.911 4.120 0.012 0.000 0.245 506 V C 0.963 176.939 176.094 -0.196 0.000 1.043 506 V CA 1.909 63.974 62.300 -0.392 0.000 1.014 506 V CB -0.270 31.195 31.823 -0.596 0.000 0.645 506 V HN 0.752 nan 8.190 nan 0.000 0.447 507 D N -1.563 118.757 120.400 -0.134 0.000 2.454 507 D HA 0.102 4.749 4.640 0.012 0.000 0.219 507 D C 0.908 177.194 176.300 -0.024 0.000 1.081 507 D CA 0.053 54.011 54.000 -0.070 0.000 0.867 507 D CB 0.697 41.460 40.800 -0.061 0.000 1.054 507 D HN 0.476 nan 8.370 nan 0.000 0.500 508 E N 1.935 122.125 120.200 -0.016 0.000 2.146 508 E HA 0.111 4.468 4.350 0.012 0.000 0.282 508 E C -0.850 175.755 176.600 0.007 0.000 0.989 508 E CA -0.576 55.823 56.400 -0.001 0.000 0.799 508 E CB 0.963 30.663 29.700 -0.001 0.000 1.088 508 E HN -0.172 nan 8.360 nan 0.000 0.397 509 D N 3.671 124.076 120.400 0.009 0.000 2.304 509 D HA 0.122 4.769 4.640 0.012 0.000 0.247 509 D C -0.553 175.641 176.300 -0.178 0.000 1.089 509 D CA 0.173 54.172 54.000 -0.003 0.000 0.910 509 D CB 1.182 42.057 40.800 0.125 0.000 1.199 509 D HN 0.419 nan 8.370 nan 0.000 0.426 510 Q N 1.554 121.126 119.800 -0.381 0.000 2.674 510 Q HA 0.240 4.587 4.340 0.012 0.000 0.249 510 Q C -2.204 173.136 176.000 -1.100 0.000 1.011 510 Q CA -1.533 53.834 55.803 -0.726 0.000 0.734 510 Q CB 2.338 30.619 28.738 -0.762 0.000 1.201 510 Q HN 0.173 nan 8.270 nan 0.000 0.498 511 P HA -0.011 nan 4.420 nan 0.000 0.225 511 P C -0.634 176.351 177.300 -0.526 0.000 1.768 511 P CA -0.026 62.624 63.100 -0.749 0.000 0.943 511 P CB -0.570 30.905 31.700 -0.375 0.000 1.936 512 F N 1.693 121.464 119.950 -0.299 0.000 2.545 512 F HA 0.125 4.659 4.527 0.011 0.000 0.348 512 F C -1.174 174.518 175.800 -0.181 0.000 1.163 512 F CA -2.177 55.709 58.000 -0.191 0.000 1.331 512 F CB -0.614 38.286 39.000 -0.167 0.000 1.138 512 F HN 0.049 nan 8.300 nan 0.000 0.602 513 P HA 0.119 nan 4.420 nan 0.000 0.268 513 P C 0.222 177.537 177.300 0.024 0.000 1.205 513 P CA 1.114 64.229 63.100 0.026 0.000 0.771 513 P CB 1.173 32.888 31.700 0.025 0.000 0.858 514 A N 2.606 125.433 122.820 0.012 0.000 2.070 514 A HA -0.246 4.081 4.320 0.012 0.000 0.231 514 A C 0.722 178.315 177.584 0.015 0.000 0.501 514 A CA 2.009 54.057 52.037 0.020 0.000 1.119 514 A CB -2.679 16.333 19.000 0.019 0.000 1.430 514 A HN 0.692 nan 8.150 nan 0.000 0.706 515 V N -2.857 117.060 119.914 0.004 0.000 2.468 515 V HA 0.581 4.708 4.120 0.012 0.000 0.256 515 V C -2.380 173.704 176.094 -0.017 0.000 0.998 515 V CA -1.260 61.042 62.300 0.002 0.000 1.114 515 V CB 0.674 32.500 31.823 0.005 0.000 1.378 515 V HN 0.512 nan 8.190 nan 0.000 0.573 516 P HA 0.289 nan 4.420 nan 0.000 0.272 516 P C -0.646 176.244 177.300 -0.683 0.000 1.223 516 P CA 0.019 62.758 63.100 -0.601 0.000 0.784 516 P CB 1.088 31.964 31.700 -1.373 0.000 0.923 517 K N 2.175 122.244 120.400 -0.551 0.000 2.423 517 K HA 0.201 4.529 4.320 0.012 0.000 0.234 517 K C -0.410 175.941 176.600 -0.415 0.000 1.051 517 K CA -0.279 55.869 56.287 -0.231 0.000 1.021 517 K CB 0.322 32.945 32.500 0.204 0.000 1.474 517 K HN 0.469 nan 8.250 nan 0.000 0.474 518 W N 1.362 122.355 121.300 -0.512 0.000 2.112 518 W HA 0.023 4.691 4.660 0.014 0.000 0.349 518 W C 1.364 177.901 176.519 0.030 0.000 1.289 518 W CA -0.392 56.751 57.345 -0.337 0.000 1.256 518 W CB 0.416 29.506 29.460 -0.617 0.000 1.148 518 W HN 0.368 nan 8.180 nan 0.000 0.590 519 S N 3.190 119.053 115.700 0.271 0.000 2.573 519 S HA -0.114 4.363 4.470 0.012 0.000 0.297 519 S C 1.188 175.943 174.600 0.259 0.000 1.280 519 S CA -0.005 58.298 58.200 0.171 0.000 1.061 519 S CB 0.148 63.397 63.200 0.082 0.000 0.812 519 S HN 0.497 nan 8.310 nan 0.000 0.500 520 I N 2.217 122.895 120.570 0.180 0.000 2.394 520 I HA -0.104 4.073 4.170 0.012 0.000 0.251 520 I C 2.023 178.164 176.117 0.040 0.000 1.136 520 I CA 1.135 62.543 61.300 0.181 0.000 1.425 520 I CB -0.425 37.623 38.000 0.080 0.000 1.079 520 I HN 0.589 nan 8.210 nan 0.000 0.425 521 K N 1.593 121.916 120.400 -0.129 0.000 2.097 521 K HA -0.140 4.187 4.320 0.012 0.000 0.205 521 K C 2.289 178.876 176.600 -0.022 0.000 1.050 521 K CA 1.442 57.565 56.287 -0.274 0.000 0.938 521 K CB -0.169 32.077 32.500 -0.423 0.000 0.718 521 K HN 0.361 nan 8.250 nan 0.000 0.442 522 K N 0.236 120.652 120.400 0.026 0.000 2.103 522 K HA -0.168 4.159 4.320 0.012 0.000 0.204 522 K C 1.864 178.486 176.600 0.037 0.000 1.052 522 K CA 0.852 57.142 56.287 0.005 0.000 0.945 522 K CB -0.054 32.423 32.500 -0.037 0.000 0.722 522 K HN 0.221 nan 8.250 nan 0.000 0.443 523 W N 2.100 123.381 121.300 -0.031 0.000 2.342 523 W HA -0.163 4.503 4.660 0.009 0.000 0.297 523 W C 1.605 178.104 176.519 -0.035 0.000 1.213 523 W CA 1.010 58.346 57.345 -0.014 0.000 1.251 523 W CB -0.527 29.005 29.460 0.121 0.000 1.136 523 W HN 0.081 nan 8.180 nan 0.000 0.526 524 L N 0.862 122.233 121.223 0.248 0.000 2.187 524 L HA -0.230 4.117 4.340 0.012 0.000 0.213 524 L C 2.199 179.132 176.870 0.106 0.000 1.100 524 L CA 1.894 56.818 54.840 0.140 0.000 0.765 524 L CB -0.837 41.288 42.059 0.110 0.000 0.904 524 L HN -0.022 nan 8.230 nan 0.000 0.437 525 S N -1.524 114.223 115.700 0.077 0.000 2.572 525 S HA 0.251 4.728 4.470 0.012 0.000 0.228 525 S C 0.578 175.166 174.600 -0.019 0.000 0.963 525 S CA -0.538 57.680 58.200 0.031 0.000 0.939 525 S CB -0.331 62.887 63.200 0.029 0.000 0.804 525 S HN 0.143 nan 8.310 nan 0.000 0.480 526 L N 2.122 123.323 121.223 -0.036 0.000 2.506 526 L HA 0.206 4.553 4.340 0.012 0.000 0.281 526 L C -2.213 174.626 176.870 -0.051 0.000 1.228 526 L CA -1.635 53.137 54.840 -0.114 0.000 0.850 526 L CB -0.326 41.640 42.059 -0.154 0.000 1.110 526 L HN 0.025 nan 8.230 nan 0.000 0.496 527 P HA -0.042 nan 4.420 nan 0.000 0.260 527 P C 0.738 178.031 177.300 -0.011 0.000 1.172 527 P CA 1.110 64.187 63.100 -0.038 0.000 0.760 527 P CB 0.457 32.129 31.700 -0.047 0.000 0.773 528 G N 1.690 110.490 108.800 0.001 0.000 2.205 528 G HA2 -0.269 3.698 3.960 0.012 0.000 0.261 528 G HA3 -0.269 3.698 3.960 0.012 0.000 0.261 528 G C 0.248 175.164 174.900 0.027 0.000 0.980 528 G CA 0.134 45.242 45.100 0.014 0.000 0.632 528 G HN 0.610 nan 8.290 nan 0.000 0.533 529 E N 0.775 120.996 120.200 0.035 0.000 2.301 529 E HA 0.657 5.015 4.350 0.012 0.000 0.275 529 E C 1.282 177.906 176.600 0.041 0.000 1.030 529 E CA 0.459 56.891 56.400 0.053 0.000 0.852 529 E CB 0.974 30.729 29.700 0.093 0.000 1.060 529 E HN 0.514 nan 8.360 nan 0.000 0.401 530 T N 0.268 114.843 114.554 0.035 0.000 3.130 530 T HA 0.340 4.698 4.350 0.012 0.000 0.288 530 T C 0.543 175.252 174.700 0.016 0.000 0.936 530 T CA -0.459 61.656 62.100 0.025 0.000 0.897 530 T CB 0.064 68.945 68.868 0.023 0.000 1.178 530 T HN 0.244 nan 8.240 nan 0.000 0.543 531 R N 2.388 122.893 120.500 0.008 0.000 2.637 531 R HA 0.451 4.799 4.340 0.012 0.000 0.269 531 R C -2.499 173.782 176.300 -0.033 0.000 1.089 531 R CA -1.809 54.285 56.100 -0.010 0.000 1.177 531 R CB 0.094 30.381 30.300 -0.023 0.000 1.091 531 R HN 0.233 nan 8.270 nan 0.000 0.540 532 P HA 0.070 nan 4.420 nan 0.000 0.274 532 P C -1.048 176.182 177.300 -0.116 0.000 1.237 532 P CA -0.079 62.980 63.100 -0.068 0.000 0.793 532 P CB 0.674 32.335 31.700 -0.065 0.000 0.977 533 L N 2.351 123.484 121.223 -0.150 0.000 2.376 533 L HA 0.576 4.923 4.340 0.012 0.000 0.275 533 L C -1.039 175.688 176.870 -0.238 0.000 0.987 533 L CA -0.654 54.057 54.840 -0.215 0.000 0.828 533 L CB 0.687 42.613 42.059 -0.220 0.000 1.249 533 L HN 0.231 nan 8.230 nan 0.000 0.409 534 I N 5.647 126.083 120.570 -0.224 0.000 2.500 534 I HA 0.262 4.439 4.170 0.012 0.000 0.286 534 I C -0.753 175.270 176.117 -0.156 0.000 1.063 534 I CA -0.529 60.623 61.300 -0.247 0.000 1.062 534 I CB 1.974 39.882 38.000 -0.154 0.000 1.223 534 I HN 0.471 nan 8.210 nan 0.000 0.435 535 L N 5.600 126.701 121.223 -0.204 0.000 2.455 535 L HA 0.021 4.368 4.340 0.012 0.000 0.272 535 L C 1.515 178.463 176.870 0.131 0.000 1.174 535 L CA -0.097 54.698 54.840 -0.076 0.000 0.869 535 L CB 0.591 42.590 42.059 -0.101 0.000 1.130 535 L HN 0.862 nan 8.230 nan 0.000 0.474 536 C N 0.178 119.534 119.300 0.093 0.000 2.448 536 C HA 0.131 4.598 4.460 0.012 0.000 0.280 536 C C 0.609 175.743 174.990 0.240 0.000 1.398 536 C CA -0.164 58.956 59.018 0.171 0.000 1.774 536 C CB -1.107 26.641 27.740 0.014 0.000 1.888 536 C HN 0.826 nan 8.230 nan 0.000 0.519 537 E N -0.841 119.424 120.200 0.109 0.000 2.335 537 E HA 0.613 4.970 4.350 0.012 0.000 0.280 537 E C -1.385 175.150 176.600 -0.109 0.000 0.918 537 E CA -0.422 56.027 56.400 0.082 0.000 0.765 537 E CB 1.964 31.530 29.700 -0.223 0.000 1.218 537 E HN 0.678 nan 8.360 nan 0.000 0.425 538 Y N -1.272 119.011 120.300 -0.027 0.000 2.689 538 Y HA 0.637 5.195 4.550 0.013 0.000 0.333 538 Y C -0.714 175.364 175.900 0.297 0.000 1.208 538 Y CA -0.922 57.169 58.100 -0.016 0.000 1.055 538 Y CB 0.945 39.231 38.460 -0.290 0.000 1.304 538 Y HN 0.676 nan 8.280 nan 0.000 0.455 539 A N 1.887 124.789 122.820 0.136 0.000 2.360 539 A HA -0.257 4.070 4.320 0.012 0.000 0.289 539 A C -0.493 177.230 177.584 0.231 0.000 1.437 539 A CA 1.023 53.130 52.037 0.115 0.000 0.734 539 A CB -2.450 16.500 19.000 -0.082 0.000 1.145 539 A HN 1.107 nan 8.150 nan 0.000 0.374 540 H N 0.864 120.104 119.070 0.283 0.000 3.145 540 H HA 0.325 4.888 4.556 0.012 0.000 0.263 540 H C 0.967 176.377 175.328 0.138 0.000 1.057 540 H CA 0.823 57.060 56.048 0.315 0.000 1.477 540 H CB 0.533 30.363 29.762 0.112 0.000 1.529 540 H HN 0.824 nan 8.280 nan 0.000 0.508 541 A N 6.846 129.579 122.820 -0.145 0.000 3.105 541 A HA 0.093 4.420 4.320 0.012 0.000 0.272 541 A C 0.797 178.258 177.584 -0.206 0.000 1.466 541 A CA -0.484 51.454 52.037 -0.164 0.000 1.101 541 A CB -0.621 18.261 19.000 -0.196 0.000 1.065 541 A HN 0.811 nan 8.150 nan 0.000 0.643 542 M N 1.614 121.085 119.600 -0.215 0.000 2.156 542 M HA 0.448 4.935 4.480 0.012 0.000 0.345 542 M C 0.943 177.095 176.300 -0.245 0.000 1.398 542 M CA 1.302 56.478 55.300 -0.206 0.000 1.148 542 M CB -0.216 32.316 32.600 -0.113 0.000 1.663 542 M HN 0.867 nan 8.290 nan 0.000 0.464 543 G N 4.254 112.882 108.800 -0.287 0.000 2.547 543 G HA2 -0.333 3.635 3.960 0.012 0.000 0.271 543 G HA3 -0.333 3.635 3.960 0.012 0.000 0.271 543 G C -0.294 174.101 174.900 -0.842 0.000 1.209 543 G CA 0.001 44.745 45.100 -0.592 0.000 0.959 543 G HN 0.845 nan 8.290 nan 0.000 0.563 544 N N 1.185 119.256 118.700 -1.047 0.000 2.508 544 N HA 0.511 5.258 4.740 0.012 0.000 0.253 544 N C 0.027 175.291 175.510 -0.410 0.000 1.145 544 N CA 1.038 53.629 53.050 -0.766 0.000 0.973 544 N CB 0.536 38.599 38.487 -0.708 0.000 1.305 544 N HN 0.822 nan 8.380 nan 0.000 0.506 545 S N 2.102 117.648 115.700 -0.257 0.000 2.998 545 S HA 0.623 5.100 4.470 0.012 0.000 0.321 545 S C -0.010 174.535 174.600 -0.092 0.000 1.171 545 S CA -0.342 57.764 58.200 -0.156 0.000 0.882 545 S CB 0.176 63.302 63.200 -0.123 0.000 1.301 545 S HN 0.367 nan 8.310 nan 0.000 0.629 546 L N 0.001 121.202 121.223 -0.036 0.000 4.793 546 L HA -0.062 4.286 4.340 0.012 0.000 0.404 546 L C 0.593 177.516 176.870 0.087 0.000 1.022 546 L CA 0.869 55.711 54.840 0.003 0.000 1.242 546 L CB -1.824 40.147 42.059 -0.147 0.000 2.049 546 L HN 0.728 nan 8.230 nan 0.000 0.637 547 G N -0.770 108.049 108.800 0.032 0.000 2.365 547 G HA2 0.461 4.428 3.960 0.012 0.000 0.249 547 G HA3 0.461 4.428 3.960 0.012 0.000 0.249 547 G C 1.244 176.203 174.900 0.099 0.000 1.288 547 G CA 0.217 45.318 45.100 0.002 0.000 0.887 547 G HN 1.364 nan 8.290 nan 0.000 0.524 548 G N 1.692 110.545 108.800 0.089 0.000 2.157 548 G HA2 -0.322 3.645 3.960 0.012 0.000 0.248 548 G HA3 -0.322 3.645 3.960 0.012 0.000 0.248 548 G C 1.015 176.111 174.900 0.327 0.000 0.979 548 G CA 0.770 45.977 45.100 0.179 0.000 0.650 548 G HN 0.798 nan 8.290 nan 0.000 0.529 549 F N 1.829 121.913 119.950 0.224 0.000 2.126 549 F HA 0.101 4.636 4.527 0.013 0.000 0.299 549 F C 2.651 178.679 175.800 0.379 0.000 1.096 549 F CA 2.445 60.653 58.000 0.346 0.000 1.255 549 F CB -0.497 38.639 39.000 0.228 0.000 0.997 549 F HN 0.360 nan 8.300 nan 0.000 0.479 550 A N -0.383 122.598 122.820 0.268 0.000 2.019 550 A HA -0.223 4.104 4.320 0.012 0.000 0.219 550 A C 2.304 179.911 177.584 0.039 0.000 1.164 550 A CA 1.656 53.783 52.037 0.151 0.000 0.644 550 A CB -0.794 18.303 19.000 0.162 0.000 0.805 550 A HN 0.448 nan 8.150 nan 0.000 0.449 551 K N -1.534 118.874 120.400 0.013 0.000 2.097 551 K HA -0.185 4.142 4.320 0.012 0.000 0.206 551 K C 1.704 178.075 176.600 -0.381 0.000 1.049 551 K CA 1.697 57.905 56.287 -0.132 0.000 0.933 551 K CB -0.313 32.116 32.500 -0.118 0.000 0.717 551 K HN 0.583 nan 8.250 nan 0.000 0.442 552 Y N -0.902 119.127 120.300 -0.452 0.000 2.163 552 Y HA -0.231 4.325 4.550 0.011 0.000 0.288 552 Y C 1.978 176.933 175.900 -1.575 0.000 1.136 552 Y CA 1.528 58.989 58.100 -1.065 0.000 1.147 552 Y CB -0.276 37.532 38.460 -1.087 0.000 0.987 552 Y HN 0.177 nan 8.280 nan 0.000 0.509 553 W N 0.015 120.903 121.300 -0.687 0.000 2.374 553 W HA -0.185 4.483 4.660 0.013 0.000 0.288 553 W C 2.595 178.944 176.519 -0.283 0.000 1.218 553 W CA 1.418 58.483 57.345 -0.467 0.000 1.245 553 W CB -0.465 28.806 29.460 -0.316 0.000 1.126 553 W HN 0.064 nan 8.180 nan 0.000 0.545 554 Q N 0.793 120.511 119.800 -0.136 0.000 2.119 554 Q HA -0.151 4.196 4.340 0.012 0.000 0.201 554 Q C 2.168 178.111 176.000 -0.095 0.000 0.972 554 Q CA 1.956 57.720 55.803 -0.065 0.000 0.847 554 Q CB -0.503 28.210 28.738 -0.043 0.000 0.903 554 Q HN 0.267 nan 8.270 nan 0.000 0.433 555 A N 0.080 122.746 122.820 -0.256 0.000 1.898 555 A HA -0.098 4.229 4.320 0.012 0.000 0.216 555 A C 2.041 179.598 177.584 -0.045 0.000 1.181 555 A CA 1.019 52.940 52.037 -0.194 0.000 0.620 555 A CB -1.069 17.686 19.000 -0.409 0.000 0.819 555 A HN 0.468 nan 8.150 nan 0.000 0.442 556 F N -0.305 119.467 119.950 -0.296 0.000 2.126 556 F HA -0.237 4.297 4.527 0.012 0.000 0.299 556 F C 2.766 178.470 175.800 -0.160 0.000 1.096 556 F CA 1.238 59.035 58.000 -0.339 0.000 1.255 556 F CB -0.171 38.397 39.000 -0.721 0.000 0.997 556 F HN 0.159 nan 8.300 nan 0.000 0.479 557 R N -0.026 120.524 120.500 0.083 0.000 2.115 557 R HA -0.154 4.193 4.340 0.012 0.000 0.226 557 R C 2.110 178.444 176.300 0.056 0.000 1.100 557 R CA 1.089 57.224 56.100 0.059 0.000 0.980 557 R CB -0.374 29.958 30.300 0.052 0.000 0.875 557 R HN 0.387 nan 8.270 nan 0.000 0.445 558 Q N -0.249 119.612 119.800 0.102 0.000 2.187 558 Q HA -0.063 4.284 4.340 0.012 0.000 0.199 558 Q C -0.453 175.580 176.000 0.054 0.000 0.957 558 Q CA 0.959 56.813 55.803 0.084 0.000 0.857 558 Q CB 0.359 29.175 28.738 0.131 0.000 0.929 558 Q HN 0.189 nan 8.270 nan 0.000 0.453 559 Y N 0.116 120.397 120.300 -0.032 0.000 2.342 559 Y HA 0.275 4.832 4.550 0.011 0.000 0.338 559 Y C -1.791 174.084 175.900 -0.042 0.000 0.965 559 Y CA -2.804 55.277 58.100 -0.031 0.000 1.159 559 Y CB 1.511 39.957 38.460 -0.024 0.000 1.157 559 Y HN 0.113 nan 8.280 nan 0.000 0.486 560 P HA -0.163 nan 4.420 nan 0.000 0.215 560 P C 1.092 178.395 177.300 0.005 0.000 1.157 560 P CA 1.836 64.939 63.100 0.006 0.000 0.874 560 P CB 0.306 31.994 31.700 -0.019 0.000 0.790 561 R N -1.166 119.355 120.500 0.036 0.000 2.307 561 R HA 0.093 4.441 4.340 0.012 0.000 0.199 561 R C 0.454 176.733 176.300 -0.035 0.000 1.000 561 R CA 0.109 56.210 56.100 0.001 0.000 1.023 561 R CB -0.506 29.805 30.300 0.019 0.000 0.908 561 R HN 0.245 nan 8.270 nan 0.000 0.473 562 L N 1.956 123.178 121.223 -0.002 0.000 2.312 562 L HA 0.113 4.460 4.340 0.012 0.000 0.287 562 L C 0.529 177.253 176.870 -0.243 0.000 1.091 562 L CA 0.198 54.986 54.840 -0.087 0.000 0.846 562 L CB 1.043 43.122 42.059 0.033 0.000 1.219 562 L HN 0.080 nan 8.230 nan 0.000 0.439 563 Q N 2.959 122.542 119.800 -0.361 0.000 2.211 563 Q HA 0.322 4.669 4.340 0.012 0.000 0.231 563 Q C 0.761 176.337 176.000 -0.708 0.000 0.865 563 Q CA 0.035 55.584 55.803 -0.422 0.000 0.997 563 Q CB 1.014 29.598 28.738 -0.258 0.000 1.101 563 Q HN 0.946 nan 8.270 nan 0.000 0.468 564 G N -0.458 107.518 108.800 -1.373 0.000 2.428 564 G HA2 0.124 4.091 3.960 0.012 0.000 0.202 564 G HA3 0.124 4.091 3.960 0.012 0.000 0.202 564 G C -0.337 173.708 174.900 -1.426 0.000 1.247 564 G CA -0.744 43.211 45.100 -1.908 0.000 1.020 564 G HN 0.573 nan 8.290 nan 0.000 0.529 565 G N -2.247 106.006 108.800 -0.912 0.000 2.349 565 G HA2 0.641 4.608 3.960 0.012 0.000 0.294 565 G HA3 0.641 4.608 3.960 0.012 0.000 0.294 565 G C -1.830 172.998 174.900 -0.120 0.000 1.380 565 G CA -0.316 44.487 45.100 -0.496 0.000 0.811 565 G HN 1.150 nan 8.290 nan 0.000 0.519 566 F N 0.714 120.905 119.950 0.402 0.000 2.403 566 F HA 0.516 5.049 4.527 0.011 0.000 0.355 566 F C 0.798 176.875 175.800 0.462 0.000 1.119 566 F CA -0.754 57.504 58.000 0.429 0.000 1.007 566 F CB 2.061 41.211 39.000 0.251 0.000 1.194 566 F HN 0.258 nan 8.300 nan 0.000 0.443 567 V N 3.325 123.532 119.914 0.488 0.000 2.872 567 V HA -0.139 3.988 4.120 0.012 0.000 0.307 567 V C -0.250 175.989 176.094 0.242 0.000 1.072 567 V CA -0.218 62.163 62.300 0.134 0.000 1.148 567 V CB 0.769 32.684 31.823 0.153 0.000 0.954 567 V HN 0.766 nan 8.190 nan 0.000 0.490 568 W N 6.351 127.732 121.300 0.135 0.000 2.318 568 W HA 0.483 5.150 4.660 0.012 0.000 0.315 568 W C -0.932 175.600 176.519 0.022 0.000 1.033 568 W CA -0.659 56.801 57.345 0.191 0.000 1.275 568 W CB 1.358 31.106 29.460 0.481 0.000 1.250 568 W HN 0.915 nan 8.180 nan 0.000 0.421 569 D N 2.866 122.937 120.400 -0.548 0.000 2.825 569 D HA 0.080 4.727 4.640 0.012 0.000 0.327 569 D C 0.578 176.639 176.300 -0.398 0.000 1.277 569 D CA -0.551 53.003 54.000 -0.744 0.000 0.950 569 D CB 0.200 39.992 40.800 -1.681 0.000 1.438 569 D HN 0.427 nan 8.370 nan 0.000 0.526 570 W N 0.403 121.380 121.300 -0.537 0.000 2.413 570 W HA 0.141 4.808 4.660 0.012 0.000 0.315 570 W C -0.104 176.184 176.519 -0.384 0.000 1.186 570 W CA 1.122 58.209 57.345 -0.431 0.000 1.326 570 W CB 0.365 29.601 29.460 -0.375 0.000 1.153 570 W HN 0.155 nan 8.180 nan 0.000 0.489 571 V N 2.699 122.378 119.914 -0.391 0.000 2.638 571 V HA 0.237 4.364 4.120 0.012 0.000 0.306 571 V C -0.899 175.000 176.094 -0.326 0.000 1.052 571 V CA -0.793 61.227 62.300 -0.467 0.000 0.885 571 V CB 1.474 33.147 31.823 -0.249 0.000 0.999 571 V HN -0.109 nan 8.190 nan 0.000 0.424 572 D N 4.061 124.264 120.400 -0.329 0.000 2.488 572 D HA 0.097 4.744 4.640 0.012 0.000 0.238 572 D C 0.388 176.545 176.300 -0.238 0.000 1.138 572 D CA 0.641 54.512 54.000 -0.215 0.000 0.873 572 D CB 0.911 41.671 40.800 -0.066 0.000 1.183 572 D HN 0.620 nan 8.370 nan 0.000 0.458 573 Q N 1.113 120.702 119.800 -0.351 0.000 3.170 573 Q HA 0.115 4.463 4.340 0.012 0.000 0.346 573 Q C -0.073 175.876 176.000 -0.084 0.000 1.333 573 Q CA -0.309 55.052 55.803 -0.738 0.000 0.958 573 Q CB 0.006 28.436 28.738 -0.512 0.000 1.600 573 Q HN 0.362 nan 8.270 nan 0.000 0.482 574 S N -0.319 115.447 115.700 0.110 0.000 2.610 574 S HA 0.607 5.084 4.470 0.012 0.000 0.273 574 S C -0.094 174.681 174.600 0.292 0.000 1.274 574 S CA -0.766 57.606 58.200 0.286 0.000 1.023 574 S CB 1.435 64.788 63.200 0.255 0.000 0.962 574 S HN 0.327 nan 8.310 nan 0.000 0.523 575 L N 1.640 122.948 121.223 0.142 0.000 2.342 575 L HA 0.516 4.863 4.340 0.012 0.000 0.271 575 L C -0.522 176.261 176.870 -0.145 0.000 1.008 575 L CA -1.228 53.574 54.840 -0.064 0.000 0.818 575 L CB 1.511 43.411 42.059 -0.264 0.000 1.296 575 L HN 0.553 nan 8.230 nan 0.000 0.427 576 I N 2.454 122.887 120.570 -0.229 0.000 2.441 576 I HA 0.255 4.432 4.170 0.012 0.000 0.287 576 I C 0.155 175.892 176.117 -0.634 0.000 1.049 576 I CA 0.006 61.042 61.300 -0.440 0.000 1.381 576 I CB 0.940 38.697 38.000 -0.404 0.000 1.409 576 I HN 0.559 nan 8.210 nan 0.000 0.523 577 K N 5.421 125.170 120.400 -1.086 0.000 2.350 577 K HA 0.563 4.890 4.320 0.012 0.000 0.241 577 K C -1.536 174.248 176.600 -1.360 0.000 0.994 577 K CA -0.696 54.862 56.287 -1.215 0.000 0.839 577 K CB 2.341 33.854 32.500 -1.645 0.000 1.244 577 K HN 0.252 nan 8.250 nan 0.000 0.443 578 Y N 0.959 120.998 120.300 -0.434 0.000 2.376 578 Y HA 0.125 4.682 4.550 0.012 0.000 0.340 578 Y C 0.075 176.039 175.900 0.106 0.000 0.965 578 Y CA -1.021 56.998 58.100 -0.134 0.000 1.078 578 Y CB 1.380 39.784 38.460 -0.093 0.000 1.193 578 Y HN 0.688 nan 8.280 nan 0.000 0.452 579 D N 0.347 120.988 120.400 0.402 0.000 2.414 579 D HA 0.017 4.664 4.640 0.012 0.000 0.251 579 D C 1.036 177.447 176.300 0.186 0.000 1.252 579 D CA -0.279 53.914 54.000 0.322 0.000 0.999 579 D CB 0.728 41.662 40.800 0.223 0.000 1.093 579 D HN 0.401 nan 8.370 nan 0.000 0.515 580 E N -0.401 119.871 120.200 0.120 0.000 2.114 580 E HA -0.211 4.146 4.350 0.012 0.000 0.199 580 E C 1.040 177.679 176.600 0.065 0.000 1.008 580 E CA 1.069 57.513 56.400 0.074 0.000 0.810 580 E CB -0.293 29.433 29.700 0.043 0.000 0.739 580 E HN 0.445 nan 8.360 nan 0.000 0.456 581 N N -0.514 118.231 118.700 0.074 0.000 2.461 581 N HA -0.002 4.746 4.740 0.012 0.000 0.188 581 N C 0.786 176.342 175.510 0.076 0.000 1.134 581 N CA 0.893 53.980 53.050 0.061 0.000 0.878 581 N CB 0.609 39.130 38.487 0.055 0.000 0.972 581 N HN 0.257 nan 8.380 nan 0.000 0.456 582 G N 1.025 109.892 108.800 0.111 0.000 2.147 582 G HA2 -0.243 3.724 3.960 0.012 0.000 0.244 582 G HA3 -0.243 3.724 3.960 0.012 0.000 0.244 582 G C -0.211 174.831 174.900 0.236 0.000 1.005 582 G CA -0.334 44.849 45.100 0.138 0.000 0.713 582 G HN 0.272 nan 8.290 nan 0.000 0.515 583 N N 1.433 120.270 118.700 0.229 0.000 2.479 583 N HA 0.456 5.203 4.740 0.012 0.000 0.285 583 N C -2.329 173.300 175.510 0.199 0.000 1.075 583 N CA -1.195 51.978 53.050 0.206 0.000 0.967 583 N CB 1.911 40.490 38.487 0.153 0.000 1.137 583 N HN 0.173 nan 8.380 nan 0.000 0.472 584 P HA 0.235 nan 4.420 nan 0.000 0.274 584 P C -0.574 176.680 177.300 -0.078 0.000 1.231 584 P CA -0.212 62.736 63.100 -0.254 0.000 0.790 584 P CB 0.670 32.225 31.700 -0.242 0.000 0.951 585 W N -0.909 120.147 121.300 -0.407 0.000 3.363 585 W HA 0.353 5.020 4.660 0.012 0.000 0.306 585 W C -1.607 174.724 176.519 -0.314 0.000 1.253 585 W CA -0.937 56.175 57.345 -0.388 0.000 1.195 585 W CB 0.318 29.303 29.460 -0.791 0.000 1.366 585 W HN 0.109 nan 8.180 nan 0.000 0.551 586 S N 1.808 117.603 115.700 0.159 0.000 2.474 586 S HA 0.565 5.042 4.470 0.012 0.000 0.276 586 S C 0.238 175.031 174.600 0.322 0.000 1.227 586 S CA -0.131 58.159 58.200 0.151 0.000 1.050 586 S CB 0.789 64.118 63.200 0.214 0.000 0.939 586 S HN 0.597 nan 8.310 nan 0.000 0.490 587 A N 3.103 125.979 122.820 0.094 0.000 2.311 587 A HA 0.885 5.212 4.320 0.012 0.000 0.334 587 A C -0.667 177.177 177.584 0.433 0.000 1.139 587 A CA -0.731 51.395 52.037 0.150 0.000 0.830 587 A CB 0.685 19.449 19.000 -0.393 0.000 1.234 587 A HN 0.838 nan 8.150 nan 0.000 0.483 588 Y N -0.796 119.821 120.300 0.528 0.000 2.944 588 Y HA 0.776 5.333 4.550 0.012 0.000 0.312 588 Y C 0.623 176.895 175.900 0.620 0.000 1.417 588 Y CA -1.393 57.020 58.100 0.522 0.000 1.105 588 Y CB -0.068 38.529 38.460 0.228 0.000 1.364 588 Y HN 0.901 nan 8.280 nan 0.000 0.540 589 G N -0.255 108.956 108.800 0.686 0.000 2.353 589 G HA2 0.379 4.347 3.960 0.012 0.000 0.239 589 G HA3 0.379 4.347 3.960 0.012 0.000 0.239 589 G C 0.941 176.165 174.900 0.541 0.000 1.295 589 G CA 0.337 45.766 45.100 0.549 0.000 0.884 589 G HN 1.981 nan 8.290 nan 0.000 0.537 590 G N 2.024 111.114 108.800 0.483 0.000 2.225 590 G HA2 -0.278 3.689 3.960 0.012 0.000 0.254 590 G HA3 -0.278 3.689 3.960 0.012 0.000 0.254 590 G C 0.892 175.981 174.900 0.316 0.000 0.988 590 G CA 0.655 45.969 45.100 0.357 0.000 0.625 590 G HN 0.642 nan 8.290 nan 0.000 0.527 591 D N -0.306 120.295 120.400 0.335 0.000 2.378 591 D HA 0.126 4.773 4.640 0.012 0.000 0.227 591 D C 1.128 177.282 176.300 -0.245 0.000 1.012 591 D CA 0.526 54.550 54.000 0.039 0.000 0.905 591 D CB -0.171 40.584 40.800 -0.075 0.000 0.895 591 D HN 0.479 nan 8.370 nan 0.000 0.532 592 F N -0.883 119.187 119.950 0.199 0.000 2.735 592 F HA 0.310 4.844 4.527 0.012 0.000 0.304 592 F C 1.706 177.588 175.800 0.135 0.000 1.119 592 F CA -0.253 57.820 58.000 0.122 0.000 1.280 592 F CB 0.916 39.984 39.000 0.114 0.000 0.994 592 F HN -0.053 nan 8.300 nan 0.000 0.520 593 G N 0.265 109.216 108.800 0.251 0.000 2.179 593 G HA2 -0.275 3.692 3.960 0.012 0.000 0.260 593 G HA3 -0.275 3.692 3.960 0.012 0.000 0.260 593 G C -0.145 174.888 174.900 0.222 0.000 0.977 593 G CA 0.146 45.366 45.100 0.200 0.000 0.641 593 G HN 0.412 nan 8.290 nan 0.000 0.533 594 D N 0.536 121.116 120.400 0.302 0.000 2.383 594 D HA 0.500 5.148 4.640 0.012 0.000 0.252 594 D C 0.100 176.518 176.300 0.197 0.000 1.166 594 D CA 0.950 55.115 54.000 0.275 0.000 0.879 594 D CB 1.649 42.675 40.800 0.377 0.000 1.164 594 D HN 0.391 nan 8.370 nan 0.000 0.462 595 T N 1.096 115.735 114.554 0.141 0.000 3.047 595 T HA 0.402 4.759 4.350 0.012 0.000 0.340 595 T C -2.802 171.933 174.700 0.058 0.000 1.421 595 T CA -1.137 61.018 62.100 0.092 0.000 1.090 595 T CB 1.084 70.008 68.868 0.093 0.000 1.292 595 T HN 0.213 nan 8.240 nan 0.000 0.480 596 P HA 0.462 nan 4.420 nan 0.000 0.270 596 P C -0.893 176.392 177.300 -0.025 0.000 1.223 596 P CA -0.240 62.856 63.100 -0.007 0.000 0.785 596 P CB 0.314 31.984 31.700 -0.050 0.000 0.923 597 N N -1.602 117.079 118.700 -0.031 0.000 2.732 597 N HA 0.316 5.064 4.740 0.012 0.000 0.259 597 N C -1.135 174.309 175.510 -0.109 0.000 1.402 597 N CA -0.775 52.229 53.050 -0.076 0.000 0.829 597 N CB 0.915 39.452 38.487 0.083 0.000 1.495 597 N HN 0.071 nan 8.380 nan 0.000 0.511 598 D N -0.332 119.942 120.400 -0.209 0.000 2.670 598 D HA 0.145 4.792 4.640 0.012 0.000 0.255 598 D C 0.426 176.918 176.300 0.319 0.000 1.286 598 D CA -0.122 53.845 54.000 -0.056 0.000 0.830 598 D CB 0.166 40.786 40.800 -0.300 0.000 1.065 598 D HN 0.736 nan 8.370 nan 0.000 0.486 599 R N 0.774 121.471 120.500 0.329 0.000 3.682 599 R HA -0.326 4.021 4.340 0.012 0.000 0.519 599 R C 1.086 177.464 176.300 0.131 0.000 0.241 599 R CA 1.575 57.883 56.100 0.347 0.000 1.619 599 R CB -1.575 28.845 30.300 0.199 0.000 0.923 599 R HN 0.154 nan 8.270 nan 0.000 0.598 600 Q N 1.444 120.982 119.800 -0.437 0.000 2.444 600 Q HA 0.014 4.361 4.340 0.012 0.000 0.206 600 Q C 1.612 177.339 176.000 -0.455 0.000 0.948 600 Q CA 1.201 56.545 55.803 -0.765 0.000 0.946 600 Q CB 0.055 28.101 28.738 -1.153 0.000 1.027 600 Q HN 0.615 nan 8.270 nan 0.000 0.513 601 F N 1.591 121.478 119.950 -0.105 0.000 2.494 601 F HA -0.141 4.393 4.527 0.012 0.000 0.298 601 F C 2.228 177.987 175.800 -0.068 0.000 1.106 601 F CA 1.122 59.135 58.000 0.021 0.000 1.452 601 F CB -0.071 39.004 39.000 0.125 0.000 1.085 601 F HN 0.425 nan 8.300 nan 0.000 0.569 602 C N -1.318 117.729 119.300 -0.421 0.000 2.576 602 C HA 0.221 4.688 4.460 0.012 0.000 0.267 602 C C 1.001 175.812 174.990 -0.298 0.000 1.364 602 C CA -0.487 58.124 59.018 -0.679 0.000 1.723 602 C CB -1.596 25.209 27.740 -1.558 0.000 1.778 602 C HN 0.193 nan 8.230 nan 0.000 0.572 603 M N 2.634 122.108 119.600 -0.211 0.000 2.060 603 M HA 0.276 4.763 4.480 0.012 0.000 0.342 603 M C -0.445 175.767 176.300 -0.147 0.000 1.031 603 M CA 0.318 55.529 55.300 -0.149 0.000 0.981 603 M CB 0.135 32.676 32.600 -0.098 0.000 1.376 603 M HN 0.368 nan 8.290 nan 0.000 0.397 604 N N 0.956 119.561 118.700 -0.157 0.000 2.305 604 N HA 0.193 4.940 4.740 0.012 0.000 0.248 604 N C 0.337 175.649 175.510 -0.330 0.000 1.290 604 N CA -0.522 52.398 53.050 -0.217 0.000 0.873 604 N CB 1.203 39.644 38.487 -0.076 0.000 1.261 604 N HN 0.645 nan 8.380 nan 0.000 0.504 605 G N 0.124 108.691 108.800 -0.388 0.000 2.444 605 G HA2 0.306 4.273 3.960 0.012 0.000 0.268 605 G HA3 0.306 4.273 3.960 0.012 0.000 0.268 605 G C 0.789 175.214 174.900 -0.792 0.000 1.203 605 G CA -0.522 44.225 45.100 -0.588 0.000 0.835 605 G HN 0.141 nan 8.290 nan 0.000 0.543 606 L N 0.649 121.432 121.223 -0.733 0.000 2.291 606 L HA 0.069 4.416 4.340 0.012 0.000 0.214 606 L C 1.029 177.297 176.870 -1.004 0.000 1.120 606 L CA 0.500 54.918 54.840 -0.703 0.000 0.799 606 L CB -0.470 41.310 42.059 -0.465 0.000 0.925 606 L HN 0.427 nan 8.230 nan 0.000 0.446 607 V N -5.078 114.105 119.914 -1.219 0.000 2.914 607 V HA 0.463 4.591 4.120 0.012 0.000 0.314 607 V C -0.192 175.384 176.094 -0.862 0.000 1.084 607 V CA -1.306 60.407 62.300 -0.978 0.000 0.963 607 V CB 1.594 32.901 31.823 -0.861 0.000 1.025 607 V HN -0.141 nan 8.190 nan 0.000 0.432 608 F N 1.683 121.458 119.950 -0.293 0.000 2.480 608 F HA 0.530 5.064 4.527 0.012 0.000 0.319 608 F C 1.972 177.688 175.800 -0.139 0.000 1.230 608 F CA 0.648 58.612 58.000 -0.060 0.000 1.285 608 F CB 0.800 39.817 39.000 0.028 0.000 1.208 608 F HN 0.783 nan 8.300 nan 0.000 0.579 609 A N 0.716 123.624 122.820 0.145 0.000 1.978 609 A HA -0.217 4.110 4.320 0.012 0.000 0.220 609 A C 1.638 179.204 177.584 -0.030 0.000 1.170 609 A CA 1.878 53.953 52.037 0.063 0.000 0.636 609 A CB -0.920 18.153 19.000 0.122 0.000 0.810 609 A HN 0.787 nan 8.150 nan 0.000 0.448 610 D N -2.732 117.666 120.400 -0.004 0.000 2.319 610 D HA 0.121 4.769 4.640 0.012 0.000 0.230 610 D C 0.601 176.891 176.300 -0.016 0.000 1.094 610 D CA -0.040 53.930 54.000 -0.050 0.000 0.856 610 D CB -0.133 40.639 40.800 -0.047 0.000 0.915 610 D HN 0.185 nan 8.370 nan 0.000 0.517 611 R N -1.737 118.754 120.500 -0.015 0.000 3.892 611 R HA -0.123 4.225 4.340 0.012 0.000 0.441 611 R C -0.279 176.022 176.300 0.002 0.000 1.052 611 R CA 1.071 57.152 56.100 -0.031 0.000 1.190 611 R CB -3.215 27.106 30.300 0.035 0.000 1.808 611 R HN 0.243 nan 8.270 nan 0.000 0.538 612 T N 2.411 117.012 114.554 0.079 0.000 2.901 612 T HA 0.332 4.690 4.350 0.012 0.000 0.301 612 T C -2.284 172.529 174.700 0.190 0.000 1.012 612 T CA -0.755 61.421 62.100 0.127 0.000 1.135 612 T CB 1.004 69.954 68.868 0.136 0.000 0.936 612 T HN -0.096 nan 8.240 nan 0.000 0.539 613 P HA 0.163 nan 4.420 nan 0.000 0.271 613 P C -0.070 177.295 177.300 0.108 0.000 1.218 613 P CA -0.200 62.900 63.100 0.000 0.000 0.780 613 P CB 0.403 32.101 31.700 -0.002 0.000 0.901 614 H N 2.715 121.610 119.070 -0.292 0.000 2.546 614 H HA 0.110 4.673 4.556 0.012 0.000 0.365 614 H C -1.310 173.917 175.328 -0.169 0.000 1.220 614 H CA -1.893 53.953 56.048 -0.337 0.000 1.386 614 H CB 0.315 29.821 29.762 -0.426 0.000 1.510 614 H HN 0.339 nan 8.280 nan 0.000 0.591 615 P HA -0.151 nan 4.420 nan 0.000 0.218 615 P C 1.151 178.449 177.300 -0.003 0.000 1.149 615 P CA 1.428 64.515 63.100 -0.022 0.000 0.817 615 P CB 0.042 31.726 31.700 -0.026 0.000 0.785 616 A N -0.581 122.240 122.820 0.002 0.000 2.076 616 A HA -0.188 4.139 4.320 0.012 0.000 0.220 616 A C 2.060 179.592 177.584 -0.086 0.000 1.160 616 A CA 1.201 53.204 52.037 -0.057 0.000 0.653 616 A CB -1.596 17.346 19.000 -0.097 0.000 0.801 616 A HN 0.154 nan 8.150 nan 0.000 0.455 617 L N -0.523 120.666 121.223 -0.057 0.000 2.042 617 L HA -0.146 4.202 4.340 0.012 0.000 0.210 617 L C 2.556 179.465 176.870 0.065 0.000 1.076 617 L CA 2.752 57.592 54.840 -0.001 0.000 0.749 617 L CB -1.005 41.047 42.059 -0.011 0.000 0.893 617 L HN 0.389 nan 8.230 nan 0.000 0.432 618 T N -1.779 112.820 114.554 0.075 0.000 2.867 618 T HA -0.195 4.163 4.350 0.012 0.000 0.268 618 T C 1.802 176.614 174.700 0.186 0.000 1.057 618 T CA 1.418 63.621 62.100 0.172 0.000 1.136 618 T CB -0.122 68.826 68.868 0.133 0.000 0.874 618 T HN 0.475 nan 8.240 nan 0.000 0.466 619 E N 0.787 121.036 120.200 0.082 0.000 2.072 619 E HA 0.059 4.416 4.350 0.012 0.000 0.191 619 E C 2.211 178.828 176.600 0.028 0.000 0.985 619 E CA 1.368 57.822 56.400 0.089 0.000 0.801 619 E CB -0.632 29.090 29.700 0.036 0.000 0.750 619 E HN 0.531 nan 8.360 nan 0.000 0.452 620 A N 1.067 123.787 122.820 -0.167 0.000 1.877 620 A HA -0.249 4.078 4.320 0.012 0.000 0.216 620 A C 2.165 179.635 177.584 -0.190 0.000 1.186 620 A CA 1.998 53.889 52.037 -0.244 0.000 0.620 620 A CB -0.673 18.168 19.000 -0.265 0.000 0.822 620 A HN 0.276 nan 8.150 nan 0.000 0.443 621 K N -1.212 119.154 120.400 -0.057 0.000 2.044 621 K HA -0.311 4.016 4.320 0.012 0.000 0.210 621 K C 2.071 178.565 176.600 -0.177 0.000 1.049 621 K CA 2.176 58.441 56.287 -0.038 0.000 0.927 621 K CB -0.372 32.258 32.500 0.217 0.000 0.713 621 K HN 0.659 nan 8.250 nan 0.000 0.443 622 H N 0.222 119.114 119.070 -0.297 0.000 2.326 622 H HA -0.020 4.543 4.556 0.012 0.000 0.301 622 H C 1.985 177.036 175.328 -0.461 0.000 1.081 622 H CA 1.777 57.456 56.048 -0.616 0.000 1.334 622 H CB 0.074 29.490 29.762 -0.577 0.000 1.385 622 H HN 0.246 nan 8.280 nan 0.000 0.504 623 Q N 0.255 119.815 119.800 -0.400 0.000 2.224 623 Q HA -0.095 4.252 4.340 0.012 0.000 0.203 623 Q C 1.562 177.020 176.000 -0.903 0.000 0.970 623 Q CA 1.177 56.660 55.803 -0.534 0.000 0.865 623 Q CB 0.030 28.600 28.738 -0.279 0.000 0.922 623 Q HN 0.711 nan 8.270 nan 0.000 0.445 624 Q N 0.121 119.347 119.800 -0.957 0.000 2.322 624 Q HA 0.067 4.414 4.340 0.012 0.000 0.203 624 Q C -0.073 175.376 176.000 -0.919 0.000 0.923 624 Q CA -0.212 54.871 55.803 -1.199 0.000 0.949 624 Q CB 0.304 28.392 28.738 -1.084 0.000 1.039 624 Q HN 0.373 nan 8.270 nan 0.000 0.496 625 Q N -0.468 118.939 119.800 -0.656 0.000 2.414 625 Q HA -0.051 4.296 4.340 0.012 0.000 0.288 625 Q C -0.155 175.506 176.000 -0.565 0.000 1.086 625 Q CA 0.452 56.010 55.803 -0.409 0.000 0.943 625 Q CB 0.450 29.019 28.738 -0.282 0.000 1.282 625 Q HN 0.307 nan 8.270 nan 0.000 0.438 626 F N 0.472 120.196 119.950 -0.378 0.000 2.727 626 F HA 0.229 4.763 4.527 0.012 0.000 0.302 626 F C -0.276 174.923 175.800 -1.001 0.000 1.097 626 F CA -0.030 57.508 58.000 -0.771 0.000 1.330 626 F CB 0.559 38.840 39.000 -1.198 0.000 1.084 626 F HN 0.300 nan 8.300 nan 0.000 0.578 627 F N 0.274 120.144 119.950 -0.133 0.000 2.529 627 F HA 0.471 5.006 4.527 0.013 0.000 0.320 627 F C -0.182 175.262 175.800 -0.594 0.000 1.118 627 F CA -1.097 56.705 58.000 -0.330 0.000 0.915 627 F CB 1.348 40.163 39.000 -0.309 0.000 1.161 627 F HN -0.321 nan 8.300 nan 0.000 0.445 628 Q N 3.112 122.641 119.800 -0.452 0.000 2.306 628 Q HA 0.570 4.917 4.340 0.012 0.000 0.265 628 Q C -1.375 174.358 176.000 -0.444 0.000 1.022 628 Q CA -0.621 54.973 55.803 -0.349 0.000 0.853 628 Q CB 2.865 31.521 28.738 -0.136 0.000 1.327 628 Q HN 0.541 nan 8.270 nan 0.000 0.449 629 F N 0.334 120.406 119.950 0.203 0.000 2.563 629 F HA 0.592 5.127 4.527 0.013 0.000 0.316 629 F C 0.280 176.328 175.800 0.413 0.000 1.076 629 F CA -0.834 57.370 58.000 0.340 0.000 0.921 629 F CB 2.036 41.355 39.000 0.531 0.000 1.209 629 F HN 0.180 nan 8.300 nan 0.000 0.462 630 R N 1.547 122.350 120.500 0.506 0.000 2.744 630 R HA 0.749 5.096 4.340 0.012 0.000 0.279 630 R C -1.979 174.373 176.300 0.087 0.000 0.977 630 R CA -1.184 55.124 56.100 0.347 0.000 0.906 630 R CB 2.712 33.121 30.300 0.182 0.000 1.197 630 R HN 0.534 nan 8.270 nan 0.000 0.463 631 L N 0.576 121.715 121.223 -0.140 0.000 2.362 631 L HA 0.554 4.901 4.340 0.012 0.000 0.275 631 L C -1.096 175.615 176.870 -0.266 0.000 0.998 631 L CA 0.069 54.604 54.840 -0.509 0.000 0.820 631 L CB 2.189 43.475 42.059 -1.288 0.000 1.270 631 L HN 0.522 nan 8.230 nan 0.000 0.415 632 S N 3.510 119.082 115.700 -0.213 0.000 2.789 632 S HA 0.697 5.174 4.470 0.012 0.000 0.286 632 S C 0.315 174.828 174.600 -0.144 0.000 1.153 632 S CA 0.240 58.358 58.200 -0.136 0.000 1.084 632 S CB 0.386 63.539 63.200 -0.078 0.000 1.036 632 S HN 1.447 nan 8.310 nan 0.000 0.484 633 G N 4.140 112.856 108.800 -0.139 0.000 2.557 633 G HA2 -0.290 3.677 3.960 0.012 0.000 0.292 633 G HA3 -0.290 3.677 3.960 0.012 0.000 0.292 633 G C 0.238 175.035 174.900 -0.172 0.000 1.162 633 G CA 0.735 45.758 45.100 -0.129 0.000 0.964 633 G HN 1.002 nan 8.290 nan 0.000 0.541 634 Q N 0.943 120.642 119.800 -0.169 0.000 2.135 634 Q HA 0.359 4.706 4.340 0.012 0.000 0.231 634 Q C 0.081 175.947 176.000 -0.225 0.000 0.817 634 Q CA 0.745 56.420 55.803 -0.213 0.000 1.073 634 Q CB -0.437 28.177 28.738 -0.206 0.000 1.176 634 Q HN 0.556 nan 8.270 nan 0.000 0.478 635 T N 2.295 116.734 114.554 -0.191 0.000 2.733 635 T HA 0.585 4.942 4.350 0.012 0.000 0.294 635 T C 0.045 174.640 174.700 -0.174 0.000 0.956 635 T CA -0.258 61.748 62.100 -0.156 0.000 0.987 635 T CB 0.617 69.423 68.868 -0.105 0.000 0.920 635 T HN 0.223 nan 8.240 nan 0.000 0.470 636 I N 2.907 123.390 120.570 -0.145 0.000 2.353 636 I HA 0.305 4.482 4.170 0.012 0.000 0.293 636 I C 0.597 176.729 176.117 0.024 0.000 0.992 636 I CA -0.558 60.687 61.300 -0.092 0.000 1.268 636 I CB 1.274 39.251 38.000 -0.040 0.000 1.387 636 I HN 0.546 nan 8.210 nan 0.000 0.478 637 E N 6.400 126.647 120.200 0.077 0.000 2.113 637 E HA 0.436 4.793 4.350 0.012 0.000 0.273 637 E C -1.542 175.156 176.600 0.163 0.000 0.924 637 E CA -0.586 55.870 56.400 0.094 0.000 0.764 637 E CB 1.494 31.236 29.700 0.070 0.000 1.104 637 E HN 0.358 nan 8.360 nan 0.000 0.406 638 V N 4.286 124.280 119.914 0.134 0.000 2.398 638 V HA 0.308 4.435 4.120 0.012 0.000 0.286 638 V C -0.071 176.045 176.094 0.037 0.000 1.026 638 V CA -0.539 61.808 62.300 0.078 0.000 0.868 638 V CB 1.766 33.664 31.823 0.125 0.000 0.982 638 V HN 0.713 nan 8.190 nan 0.000 0.443 639 T N 3.330 117.871 114.554 -0.023 0.000 2.797 639 T HA 0.345 4.702 4.350 0.012 0.000 0.279 639 T C -0.011 174.686 174.700 -0.004 0.000 0.991 639 T CA -0.261 61.836 62.100 -0.005 0.000 0.979 639 T CB 1.551 70.399 68.868 -0.033 0.000 0.943 639 T HN 0.657 nan 8.240 nan 0.000 0.444 640 S N 1.594 117.307 115.700 0.022 0.000 2.537 640 S HA 0.216 4.694 4.470 0.012 0.000 0.275 640 S C 0.791 175.273 174.600 -0.197 0.000 1.272 640 S CA -0.549 57.590 58.200 -0.101 0.000 1.050 640 S CB 0.633 63.850 63.200 0.029 0.000 0.961 640 S HN 0.735 nan 8.310 nan 0.000 0.496 641 E N 2.656 122.635 120.200 -0.367 0.000 2.481 641 E HA 0.100 4.457 4.350 0.012 0.000 0.198 641 E C -0.730 175.695 176.600 -0.292 0.000 1.027 641 E CA -0.116 56.105 56.400 -0.300 0.000 0.900 641 E CB 0.312 29.811 29.700 -0.335 0.000 0.993 641 E HN 0.692 nan 8.360 nan 0.000 0.482 642 Y N 0.424 120.608 120.300 -0.194 0.000 2.480 642 Y HA -0.017 4.540 4.550 0.012 0.000 0.338 642 Y C 1.420 177.166 175.900 -0.258 0.000 1.220 642 Y CA 0.159 58.146 58.100 -0.188 0.000 1.430 642 Y CB 0.747 39.082 38.460 -0.208 0.000 1.311 642 Y HN -0.026 nan 8.280 nan 0.000 0.575 643 L N 1.382 122.438 121.223 -0.278 0.000 2.515 643 L HA 0.083 4.430 4.340 0.012 0.000 0.223 643 L C 0.555 177.011 176.870 -0.691 0.000 1.079 643 L CA 0.572 55.017 54.840 -0.658 0.000 0.857 643 L CB 0.101 41.319 42.059 -1.401 0.000 1.050 643 L HN 0.672 nan 8.230 nan 0.000 0.476 644 F N -0.643 119.337 119.950 0.050 0.000 2.819 644 F HA 0.212 4.745 4.527 0.011 0.000 0.325 644 F C 1.144 176.939 175.800 -0.008 0.000 1.041 644 F CA -0.762 57.237 58.000 -0.002 0.000 1.184 644 F CB 0.502 39.478 39.000 -0.039 0.000 1.019 644 F HN -0.132 nan 8.300 nan 0.000 0.590 645 R N -0.105 120.458 120.500 0.104 0.000 2.732 645 R HA 0.509 4.856 4.340 0.012 0.000 0.278 645 R C -1.138 175.174 176.300 0.020 0.000 0.976 645 R CA -0.706 55.399 56.100 0.009 0.000 0.963 645 R CB 1.156 31.363 30.300 -0.156 0.000 1.150 645 R HN 0.024 nan 8.270 nan 0.000 0.478 646 H N 0.404 119.462 119.070 -0.020 0.000 2.508 646 H HA 0.133 4.696 4.556 0.012 0.000 0.358 646 H C -0.074 175.269 175.328 0.025 0.000 1.212 646 H CA 0.200 56.265 56.048 0.028 0.000 1.356 646 H CB 1.257 31.039 29.762 0.033 0.000 1.525 646 H HN 0.741 nan 8.280 nan 0.000 0.578 647 S N 1.619 117.266 115.700 -0.088 0.000 4.139 647 S HA 0.000 4.478 4.470 0.012 0.000 0.215 647 S C -0.019 174.664 174.600 0.140 0.000 1.390 647 S CA -0.285 57.969 58.200 0.090 0.000 0.885 647 S CB -0.702 62.569 63.200 0.119 0.000 1.560 647 S HN 0.704 nan 8.310 nan 0.000 0.449 648 D N 0.723 121.208 120.400 0.143 0.000 2.319 648 D HA 0.039 4.686 4.640 0.012 0.000 0.230 648 D C 0.342 176.690 176.300 0.078 0.000 1.094 648 D CA -0.136 53.944 54.000 0.133 0.000 0.856 648 D CB -0.279 40.585 40.800 0.108 0.000 0.915 648 D HN 0.490 nan 8.370 nan 0.000 0.517 649 N N 0.055 118.800 118.700 0.077 0.000 2.651 649 N HA 0.177 4.924 4.740 0.012 0.000 0.277 649 N C -1.599 173.963 175.510 0.087 0.000 1.787 649 N CA -0.203 52.886 53.050 0.065 0.000 0.818 649 N CB 0.287 38.800 38.487 0.045 0.000 1.316 649 N HN -0.035 nan 8.380 nan 0.000 0.503 650 E N -0.194 120.052 120.200 0.076 0.000 2.363 650 E HA 0.490 4.847 4.350 0.012 0.000 0.281 650 E C -1.608 175.021 176.600 0.048 0.000 0.953 650 E CA -0.732 55.705 56.400 0.062 0.000 0.778 650 E CB 1.887 31.586 29.700 -0.003 0.000 1.220 650 E HN 0.256 nan 8.360 nan 0.000 0.431 651 L N -0.016 121.251 121.223 0.074 0.000 2.371 651 L HA 0.756 5.103 4.340 0.012 0.000 0.262 651 L C -1.610 175.339 176.870 0.133 0.000 1.006 651 L CA -1.017 53.876 54.840 0.088 0.000 0.818 651 L CB 1.055 43.163 42.059 0.082 0.000 1.354 651 L HN 0.490 nan 8.230 nan 0.000 0.415 652 L N 2.556 123.859 121.223 0.133 0.000 2.272 652 L HA 0.519 4.866 4.340 0.012 0.000 0.289 652 L C -0.580 176.427 176.870 0.229 0.000 1.032 652 L CA 0.282 55.240 54.840 0.198 0.000 0.810 652 L CB 0.378 42.559 42.059 0.203 0.000 1.205 652 L HN 0.625 nan 8.230 nan 0.000 0.422 653 H N 5.589 124.741 119.070 0.137 0.000 2.458 653 H HA 0.373 4.936 4.556 0.012 0.000 0.330 653 H C -1.225 174.205 175.328 0.172 0.000 1.111 653 H CA -0.477 55.621 56.048 0.083 0.000 1.245 653 H CB 1.178 30.943 29.762 0.005 0.000 1.456 653 H HN 0.690 nan 8.280 nan 0.000 0.488 654 W N 3.803 125.180 121.300 0.128 0.000 2.844 654 W HA 0.531 5.198 4.660 0.012 0.000 0.340 654 W C -1.589 174.988 176.519 0.096 0.000 1.093 654 W CA -1.360 56.050 57.345 0.110 0.000 1.212 654 W CB 1.426 30.938 29.460 0.086 0.000 1.422 654 W HN 0.508 nan 8.180 nan 0.000 0.515 655 M N 3.111 122.919 119.600 0.346 0.000 2.433 655 M HA 0.664 5.151 4.480 0.012 0.000 0.290 655 M C -2.511 173.989 176.300 0.333 0.000 1.173 655 M CA -0.451 54.935 55.300 0.144 0.000 0.905 655 M CB 2.379 35.001 32.600 0.035 0.000 1.692 655 M HN 0.155 nan 8.290 nan 0.000 0.462 656 V N 3.428 123.522 119.914 0.300 0.000 2.495 656 V HA 1.012 5.139 4.120 0.012 0.000 0.298 656 V C -0.420 175.790 176.094 0.194 0.000 1.031 656 V CA -0.197 62.283 62.300 0.301 0.000 0.871 656 V CB 1.376 33.402 31.823 0.338 0.000 0.988 656 V HN 1.076 nan 8.190 nan 0.000 0.432 657 A N 4.204 127.154 122.820 0.217 0.000 2.498 657 A HA 0.881 5.208 4.320 0.012 0.000 0.298 657 A C -1.529 176.198 177.584 0.239 0.000 1.075 657 A CA -0.632 51.503 52.037 0.163 0.000 0.714 657 A CB 1.752 20.807 19.000 0.091 0.000 1.299 657 A HN 0.823 nan 8.150 nan 0.000 0.407 658 L N 1.565 122.892 121.223 0.174 0.000 2.272 658 L HA 0.476 4.823 4.340 0.012 0.000 0.284 658 L C -0.519 176.482 176.870 0.219 0.000 1.045 658 L CA 0.266 55.222 54.840 0.193 0.000 0.842 658 L CB 0.014 42.139 42.059 0.110 0.000 1.224 658 L HN 0.732 nan 8.230 nan 0.000 0.430 659 D N 4.981 125.618 120.400 0.395 0.000 2.740 659 D HA -0.209 4.438 4.640 0.012 0.000 0.231 659 D C 1.178 177.564 176.300 0.143 0.000 1.194 659 D CA 1.493 55.728 54.000 0.391 0.000 0.673 659 D CB -0.820 40.186 40.800 0.343 0.000 0.995 659 D HN 1.140 nan 8.370 nan 0.000 0.411 660 G N -0.466 108.346 108.800 0.021 0.000 2.241 660 G HA2 -0.353 3.615 3.960 0.012 0.000 0.244 660 G HA3 -0.353 3.615 3.960 0.012 0.000 0.244 660 G C 0.260 175.090 174.900 -0.116 0.000 0.998 660 G CA 0.416 45.415 45.100 -0.168 0.000 0.621 660 G HN 0.473 nan 8.290 nan 0.000 0.519 661 K N 2.100 122.485 120.400 -0.026 0.000 2.264 661 K HA 0.502 4.829 4.320 0.012 0.000 0.277 661 K C -2.648 173.949 176.600 -0.005 0.000 1.067 661 K CA -1.937 54.336 56.287 -0.025 0.000 0.900 661 K CB 1.740 34.241 32.500 0.002 0.000 1.124 661 K HN 0.064 nan 8.250 nan 0.000 0.469 662 P HA -0.007 nan 4.420 nan 0.000 0.268 662 P C -0.095 177.207 177.300 0.004 0.000 1.204 662 P CA 0.169 63.258 63.100 -0.019 0.000 0.768 662 P CB 0.658 32.326 31.700 -0.053 0.000 0.842 663 L N 1.193 122.435 121.223 0.032 0.000 2.653 663 L HA 0.510 4.857 4.340 0.012 0.000 0.230 663 L C 0.819 177.715 176.870 0.043 0.000 1.055 663 L CA 0.226 55.092 54.840 0.044 0.000 0.880 663 L CB 0.260 42.364 42.059 0.074 0.000 1.195 663 L HN 0.382 nan 8.230 nan 0.000 0.492 664 A N -0.063 122.780 122.820 0.038 0.000 2.597 664 A HA 0.689 5.016 4.320 0.012 0.000 0.292 664 A C -0.993 176.441 177.584 -0.250 0.000 1.057 664 A CA 0.022 52.055 52.037 -0.007 0.000 0.674 664 A CB 1.551 20.666 19.000 0.191 0.000 1.278 664 A HN 0.061 nan 8.150 nan 0.000 0.416 665 S N -0.553 114.759 115.700 -0.647 0.000 2.578 665 S HA 0.928 5.405 4.470 0.012 0.000 0.272 665 S C -0.302 173.439 174.600 -1.432 0.000 1.145 665 S CA -0.014 57.450 58.200 -1.228 0.000 0.835 665 S CB 1.002 63.871 63.200 -0.552 0.000 1.104 665 S HN 2.597 nan 8.310 nan 0.000 0.458 666 G N 0.063 107.696 108.800 -1.946 0.000 2.606 666 G HA2 0.689 4.656 3.960 0.012 0.000 0.300 666 G HA3 0.689 4.656 3.960 0.012 0.000 0.300 666 G C -2.239 172.274 174.900 -0.645 0.000 1.360 666 G CA -0.826 43.714 45.100 -0.934 0.000 0.783 666 G HN 0.801 nan 8.290 nan 0.000 0.484 667 E N -1.430 118.657 120.200 -0.190 0.000 2.356 667 E HA 0.640 4.997 4.350 0.012 0.000 0.275 667 E C -1.415 175.216 176.600 0.052 0.000 0.904 667 E CA -0.795 55.507 56.400 -0.164 0.000 0.757 667 E CB 3.293 32.750 29.700 -0.406 0.000 1.232 667 E HN 0.341 nan 8.360 nan 0.000 0.442 668 V N 2.400 122.366 119.914 0.087 0.000 2.808 668 V HA 0.419 4.546 4.120 0.012 0.000 0.308 668 V C -2.431 173.705 176.094 0.071 0.000 1.099 668 V CA -1.955 60.403 62.300 0.098 0.000 0.920 668 V CB 2.181 34.087 31.823 0.138 0.000 1.014 668 V HN 0.602 nan 8.190 nan 0.000 0.425 669 P HA 0.217 nan 4.420 nan 0.000 0.268 669 P C -0.936 176.400 177.300 0.060 0.000 1.205 669 P CA -0.026 63.107 63.100 0.056 0.000 0.771 669 P CB 0.896 32.629 31.700 0.054 0.000 0.858 670 L N 2.950 124.201 121.223 0.046 0.000 2.295 670 L HA 0.362 4.709 4.340 0.012 0.000 0.285 670 L C 0.453 177.351 176.870 0.045 0.000 1.035 670 L CA 0.026 54.880 54.840 0.023 0.000 0.806 670 L CB 1.245 43.270 42.059 -0.057 0.000 1.214 670 L HN 0.361 nan 8.230 nan 0.000 0.426 671 D N 3.589 124.022 120.400 0.055 0.000 2.468 671 D HA 0.282 4.929 4.640 0.012 0.000 0.272 671 D C -1.340 174.928 176.300 -0.054 0.000 1.221 671 D CA -0.067 54.005 54.000 0.119 0.000 0.860 671 D CB 1.475 42.408 40.800 0.221 0.000 1.190 671 D HN 0.090 nan 8.370 nan 0.000 0.509 672 V N 1.179 120.900 119.914 -0.322 0.000 2.540 672 V HA 0.707 4.834 4.120 0.012 0.000 0.302 672 V C 0.737 176.527 176.094 -0.507 0.000 1.035 672 V CA -1.049 61.117 62.300 -0.223 0.000 0.873 672 V CB 1.447 33.283 31.823 0.023 0.000 0.992 672 V HN 0.451 nan 8.190 nan 0.000 0.428 673 A N 6.406 129.083 122.820 -0.238 0.000 2.313 673 A HA 0.730 5.057 4.320 0.012 0.000 0.261 673 A C -2.306 175.277 177.584 -0.002 0.000 1.090 673 A CA -1.483 50.526 52.037 -0.047 0.000 0.807 673 A CB -0.152 18.929 19.000 0.134 0.000 1.055 673 A HN 0.685 nan 8.150 nan 0.000 0.492 674 P HA 0.053 nan 4.420 nan 0.000 0.265 674 P C -0.460 176.838 177.300 -0.004 0.000 1.193 674 P CA 0.569 63.685 63.100 0.026 0.000 0.765 674 P CB 0.516 32.224 31.700 0.012 0.000 0.823 675 Q N -1.051 118.730 119.800 -0.032 0.000 2.305 675 Q HA -0.187 4.160 4.340 0.012 0.000 0.203 675 Q C 0.828 176.819 176.000 -0.016 0.000 0.663 675 Q CA 1.369 57.147 55.803 -0.042 0.000 1.389 675 Q CB -2.177 26.530 28.738 -0.053 0.000 1.566 675 Q HN 0.772 nan 8.270 nan 0.000 0.755 676 G N 0.379 109.182 108.800 0.004 0.000 2.522 676 G HA2 0.551 4.518 3.960 0.012 0.000 0.304 676 G HA3 0.551 4.518 3.960 0.012 0.000 0.304 676 G C -0.385 174.530 174.900 0.025 0.000 1.210 676 G CA -0.539 44.573 45.100 0.019 0.000 0.960 676 G HN -0.017 nan 8.290 nan 0.000 0.497 677 K N -0.548 119.870 120.400 0.031 0.000 2.385 677 K HA 0.480 4.807 4.320 0.012 0.000 0.248 677 K C -0.978 175.648 176.600 0.045 0.000 0.955 677 K CA -0.683 55.626 56.287 0.038 0.000 0.816 677 K CB 2.662 35.180 32.500 0.029 0.000 1.250 677 K HN 0.543 nan 8.250 nan 0.000 0.434 678 Q N 2.383 122.215 119.800 0.053 0.000 2.331 678 Q HA 0.409 4.756 4.340 0.012 0.000 0.272 678 Q C -1.717 174.314 176.000 0.053 0.000 1.062 678 Q CA -0.685 55.150 55.803 0.053 0.000 0.806 678 Q CB 1.524 30.297 28.738 0.058 0.000 1.312 678 Q HN 0.527 nan 8.270 nan 0.000 0.431 679 L N 4.517 125.762 121.223 0.037 0.000 2.309 679 L HA 0.596 4.943 4.340 0.012 0.000 0.282 679 L C -0.473 176.405 176.870 0.014 0.000 1.036 679 L CA -0.666 54.188 54.840 0.023 0.000 0.806 679 L CB 1.459 43.521 42.059 0.006 0.000 1.220 679 L HN 0.559 nan 8.230 nan 0.000 0.429 680 I N 2.385 122.955 120.570 -0.000 0.000 2.439 680 I HA 0.263 4.440 4.170 0.012 0.000 0.283 680 I C -0.637 175.429 176.117 -0.084 0.000 1.023 680 I CA -0.531 60.755 61.300 -0.025 0.000 1.100 680 I CB 1.938 39.940 38.000 0.003 0.000 1.238 680 I HN 0.586 nan 8.210 nan 0.000 0.445 681 E N 6.249 126.397 120.200 -0.086 0.000 2.130 681 E HA 0.426 4.783 4.350 0.012 0.000 0.284 681 E C -0.579 175.914 176.600 -0.178 0.000 1.018 681 E CA -0.281 56.046 56.400 -0.121 0.000 0.817 681 E CB 1.273 30.922 29.700 -0.085 0.000 1.078 681 E HN 0.439 nan 8.360 nan 0.000 0.396 682 L N 4.641 125.698 121.223 -0.276 0.000 2.453 682 L HA 0.324 4.671 4.340 0.012 0.000 0.261 682 L C -1.762 174.931 176.870 -0.295 0.000 1.179 682 L CA -1.951 52.624 54.840 -0.440 0.000 0.813 682 L CB 0.342 42.035 42.059 -0.610 0.000 1.110 682 L HN 0.329 nan 8.230 nan 0.000 0.466 683 P HA -0.047 nan 4.420 nan 0.000 0.269 683 P C -0.522 176.719 177.300 -0.098 0.000 1.217 683 P CA -0.181 62.858 63.100 -0.101 0.000 0.783 683 P CB 0.331 32.056 31.700 0.042 0.000 0.898 684 E N 2.240 122.418 120.200 -0.036 0.000 2.606 684 E HA -0.032 4.325 4.350 0.012 0.000 0.248 684 E C -0.498 176.102 176.600 -0.000 0.000 1.005 684 E CA 0.273 56.658 56.400 -0.025 0.000 0.946 684 E CB -0.016 29.680 29.700 -0.005 0.000 0.928 684 E HN 0.255 nan 8.360 nan 0.000 0.494 685 L N 5.433 126.648 121.223 -0.014 0.000 2.544 685 L HA 0.443 4.790 4.340 0.012 0.000 0.256 685 L C -1.936 174.964 176.870 0.049 0.000 1.097 685 L CA -2.429 52.432 54.840 0.035 0.000 0.812 685 L CB 0.302 42.369 42.059 0.013 0.000 1.440 685 L HN 0.474 nan 8.230 nan 0.000 0.496 686 P HA 0.036 nan 4.420 nan 0.000 0.265 686 P C -1.028 176.299 177.300 0.045 0.000 1.222 686 P CA 0.164 63.307 63.100 0.072 0.000 0.767 686 P CB 0.551 32.310 31.700 0.099 0.000 0.801 687 Q N 3.741 123.560 119.800 0.031 0.000 2.943 687 Q HA 0.290 4.637 4.340 0.012 0.000 0.327 687 Q C -2.166 173.844 176.000 0.016 0.000 0.937 687 Q CA -1.522 54.291 55.803 0.017 0.000 0.914 687 Q CB 0.198 28.940 28.738 0.007 0.000 1.339 687 Q HN 0.377 nan 8.270 nan 0.000 0.417 688 P HA 0.136 nan 4.420 nan 0.000 0.274 688 P C -0.141 177.167 177.300 0.014 0.000 1.231 688 P CA -0.153 62.959 63.100 0.021 0.000 0.790 688 P CB 1.182 32.900 31.700 0.029 0.000 0.951 689 E N -0.435 119.773 120.200 0.014 0.000 2.415 689 E HA 0.026 4.383 4.350 0.012 0.000 0.197 689 E C 0.723 177.331 176.600 0.013 0.000 1.007 689 E CA -0.041 56.365 56.400 0.011 0.000 0.890 689 E CB 0.088 29.793 29.700 0.010 0.000 0.891 689 E HN 0.364 nan 8.360 nan 0.000 0.496 690 S N 1.073 116.784 115.700 0.019 0.000 2.579 690 S HA 0.336 4.813 4.470 0.012 0.000 0.275 690 S C 0.264 174.879 174.600 0.025 0.000 1.345 690 S CA -0.261 57.953 58.200 0.024 0.000 1.031 690 S CB 0.694 63.911 63.200 0.028 0.000 0.892 690 S HN 0.286 nan 8.310 nan 0.000 0.529 691 A N 2.731 125.568 122.820 0.030 0.000 2.466 691 A HA 0.620 4.947 4.320 0.012 0.000 0.238 691 A C 0.931 178.540 177.584 0.041 0.000 1.074 691 A CA 0.417 52.473 52.037 0.031 0.000 0.774 691 A CB -0.820 18.203 19.000 0.039 0.000 1.015 691 A HN 1.935 nan 8.150 nan 0.000 0.498 692 G N -0.279 108.540 108.800 0.032 0.000 2.351 692 G HA2 0.445 4.412 3.960 0.012 0.000 0.353 692 G HA3 0.445 4.412 3.960 0.012 0.000 0.353 692 G C -1.054 173.845 174.900 -0.001 0.000 1.358 692 G CA -0.198 44.931 45.100 0.049 0.000 0.995 692 G HN 1.215 nan 8.290 nan 0.000 0.611 693 Q N -0.202 119.592 119.800 -0.010 0.000 2.278 693 Q HA 0.728 5.076 4.340 0.012 0.000 0.257 693 Q C -0.215 175.667 176.000 -0.198 0.000 0.928 693 Q CA -0.606 55.073 55.803 -0.207 0.000 0.932 693 Q CB 1.311 29.814 28.738 -0.391 0.000 1.221 693 Q HN 0.616 nan 8.270 nan 0.000 0.434 694 L N 4.401 125.486 121.223 -0.230 0.000 2.350 694 L HA 0.491 4.838 4.340 0.012 0.000 0.275 694 L C -0.958 175.785 176.870 -0.212 0.000 1.099 694 L CA -0.302 54.491 54.840 -0.077 0.000 0.808 694 L CB 0.648 42.691 42.059 -0.027 0.000 1.149 694 L HN 0.767 nan 8.230 nan 0.000 0.442 695 W N 4.013 125.361 121.300 0.080 0.000 3.032 695 W HA 0.469 5.136 4.660 0.012 0.000 0.335 695 W C -1.072 175.545 176.519 0.163 0.000 1.154 695 W CA -0.545 56.871 57.345 0.118 0.000 1.204 695 W CB 1.565 31.099 29.460 0.124 0.000 1.416 695 W HN 0.081 nan 8.180 nan 0.000 0.521 696 L N 2.704 124.225 121.223 0.497 0.000 2.296 696 L HA 0.802 5.149 4.340 0.012 0.000 0.286 696 L C -0.469 176.699 176.870 0.497 0.000 1.023 696 L CA 0.097 55.207 54.840 0.450 0.000 0.812 696 L CB 1.291 43.583 42.059 0.388 0.000 1.223 696 L HN 0.365 nan 8.230 nan 0.000 0.421 697 T N 5.069 119.855 114.554 0.386 0.000 2.848 697 T HA 0.667 5.024 4.350 0.012 0.000 0.285 697 T C -0.702 174.169 174.700 0.285 0.000 0.995 697 T CA -0.465 61.806 62.100 0.285 0.000 0.970 697 T CB 1.553 70.520 68.868 0.165 0.000 0.976 697 T HN 0.581 nan 8.240 nan 0.000 0.441 698 V N 1.553 121.596 119.914 0.215 0.000 2.715 698 V HA 0.845 4.972 4.120 0.012 0.000 0.310 698 V C -0.677 175.476 176.094 0.099 0.000 1.054 698 V CA -1.167 61.238 62.300 0.174 0.000 0.928 698 V CB 1.907 33.797 31.823 0.112 0.000 1.007 698 V HN 0.820 nan 8.190 nan 0.000 0.437 699 R N 1.962 122.556 120.500 0.157 0.000 2.673 699 R HA 0.751 5.099 4.340 0.012 0.000 0.281 699 R C -1.635 174.792 176.300 0.212 0.000 0.991 699 R CA -0.770 55.444 56.100 0.189 0.000 0.896 699 R CB 2.702 33.072 30.300 0.117 0.000 1.201 699 R HN 0.690 nan 8.270 nan 0.000 0.457 700 V N 3.485 123.553 119.914 0.256 0.000 2.407 700 V HA 0.350 4.477 4.120 0.012 0.000 0.278 700 V C -0.232 175.969 176.094 0.178 0.000 1.037 700 V CA -0.520 61.904 62.300 0.207 0.000 0.900 700 V CB 1.553 33.486 31.823 0.182 0.000 0.983 700 V HN 0.424 nan 8.190 nan 0.000 0.459 701 V N 5.213 125.221 119.914 0.158 0.000 2.604 701 V HA 0.399 4.527 4.120 0.012 0.000 0.305 701 V C -0.269 175.907 176.094 0.137 0.000 1.043 701 V CA -0.765 61.605 62.300 0.116 0.000 0.888 701 V CB 2.024 33.899 31.823 0.087 0.000 0.995 701 V HN 0.889 nan 8.190 nan 0.000 0.429 702 Q N 5.662 125.547 119.800 0.142 0.000 2.390 702 Q HA 0.269 4.616 4.340 0.012 0.000 0.249 702 Q C -1.759 174.285 176.000 0.074 0.000 0.996 702 Q CA -1.780 54.096 55.803 0.121 0.000 0.899 702 Q CB 1.872 30.692 28.738 0.136 0.000 1.216 702 Q HN 0.471 nan 8.270 nan 0.000 0.465 703 P HA -0.161 nan 4.420 nan 0.000 0.217 703 P C -0.502 176.809 177.300 0.017 0.000 1.151 703 P CA 1.129 64.259 63.100 0.049 0.000 0.828 703 P CB 0.348 32.079 31.700 0.052 0.000 0.788 704 N N -0.447 118.252 118.700 -0.001 0.000 2.473 704 N HA 0.428 5.176 4.740 0.012 0.000 0.291 704 N C -0.181 175.281 175.510 -0.080 0.000 1.083 704 N CA -0.647 52.385 53.050 -0.031 0.000 0.951 704 N CB 0.969 39.439 38.487 -0.029 0.000 1.164 704 N HN -0.032 nan 8.380 nan 0.000 0.480 705 A N 0.974 123.740 122.820 -0.091 0.000 2.386 705 A HA 0.441 4.768 4.320 0.012 0.000 0.246 705 A C 0.626 178.086 177.584 -0.207 0.000 1.089 705 A CA -0.010 51.936 52.037 -0.152 0.000 0.790 705 A CB 0.044 18.981 19.000 -0.105 0.000 1.042 705 A HN 0.712 nan 8.150 nan 0.000 0.497 706 T N -3.337 111.010 114.554 -0.345 0.000 2.693 706 T HA 0.626 4.983 4.350 0.012 0.000 0.278 706 T C 0.954 175.485 174.700 -0.282 0.000 0.994 706 T CA 0.060 61.935 62.100 -0.376 0.000 1.033 706 T CB 1.045 69.439 68.868 -0.790 0.000 1.342 706 T HN 1.382 nan 8.240 nan 0.000 0.538 707 A N -0.126 122.611 122.820 -0.139 0.000 2.121 707 A HA 0.115 4.443 4.320 0.012 0.000 0.218 707 A C 1.571 179.267 177.584 0.186 0.000 1.154 707 A CA 1.037 53.105 52.037 0.053 0.000 0.679 707 A CB -0.874 18.198 19.000 0.120 0.000 0.795 707 A HN 0.906 nan 8.150 nan 0.000 0.458 708 W N -0.788 120.575 121.300 0.106 0.000 2.702 708 W HA 0.439 5.107 4.660 0.013 0.000 0.369 708 W C -0.262 176.233 176.519 -0.039 0.000 0.987 708 W CA 0.422 57.808 57.345 0.068 0.000 1.702 708 W CB -1.054 28.437 29.460 0.053 0.000 1.138 708 W HN 0.408 nan 8.180 nan 0.000 0.552 709 S N -0.127 115.193 115.700 -0.633 0.000 2.570 709 S HA 0.468 4.945 4.470 0.012 0.000 0.270 709 S C -1.032 173.352 174.600 -0.360 0.000 1.149 709 S CA -0.729 57.118 58.200 -0.588 0.000 0.837 709 S CB 2.721 65.185 63.200 -1.227 0.000 1.124 709 S HN 0.108 nan 8.310 nan 0.000 0.465 710 E N 0.565 120.664 120.200 -0.168 0.000 2.280 710 E HA 0.639 4.996 4.350 0.012 0.000 0.261 710 E C 0.235 176.800 176.600 -0.059 0.000 1.088 710 E CA -0.943 55.406 56.400 -0.085 0.000 0.915 710 E CB 1.096 30.788 29.700 -0.013 0.000 1.141 710 E HN 0.888 nan 8.360 nan 0.000 0.433 711 A N 0.401 123.197 122.820 -0.040 0.000 2.483 711 A HA 0.400 4.727 4.320 0.012 0.000 0.238 711 A C 1.130 178.724 177.584 0.016 0.000 1.070 711 A CA 0.695 52.722 52.037 -0.017 0.000 0.770 711 A CB -0.519 18.472 19.000 -0.014 0.000 1.008 711 A HN 0.808 nan 8.150 nan 0.000 0.497 712 G N 0.276 109.096 108.800 0.033 0.000 2.179 712 G HA2 -0.264 3.704 3.960 0.012 0.000 0.260 712 G HA3 -0.264 3.704 3.960 0.012 0.000 0.260 712 G C 0.275 175.206 174.900 0.052 0.000 0.977 712 G CA 0.794 45.911 45.100 0.028 0.000 0.641 712 G HN 1.829 nan 8.290 nan 0.000 0.533 713 H N 0.684 119.752 119.070 -0.003 0.000 3.064 713 H HA 0.399 4.962 4.556 0.012 0.000 0.329 713 H C 0.748 176.135 175.328 0.098 0.000 1.020 713 H CA 0.435 56.508 56.048 0.042 0.000 1.402 713 H CB 0.163 29.937 29.762 0.020 0.000 1.379 713 H HN 0.315 nan 8.280 nan 0.000 0.594 714 I N 4.693 125.017 120.570 -0.410 0.000 2.315 714 I HA 0.041 4.219 4.170 0.012 0.000 0.291 714 I C 0.846 176.795 176.117 -0.280 0.000 1.006 714 I CA 0.053 61.224 61.300 -0.215 0.000 1.265 714 I CB 1.494 39.432 38.000 -0.104 0.000 1.387 714 I HN 0.788 nan 8.210 nan 0.000 0.475 715 S N 4.073 119.834 115.700 0.101 0.000 2.512 715 S HA 0.571 5.048 4.470 0.012 0.000 0.216 715 S C 0.412 175.269 174.600 0.429 0.000 1.006 715 S CA -0.102 58.304 58.200 0.342 0.000 0.915 715 S CB 0.629 64.165 63.200 0.561 0.000 0.824 715 S HN 0.706 nan 8.310 nan 0.000 0.497 716 A N 0.544 123.646 122.820 0.471 0.000 2.608 716 A HA 0.676 5.003 4.320 0.012 0.000 0.292 716 A C -1.797 176.128 177.584 0.569 0.000 1.066 716 A CA -0.939 51.358 52.037 0.433 0.000 0.676 716 A CB 0.415 19.732 19.000 0.529 0.000 1.277 716 A HN 0.890 nan 8.150 nan 0.000 0.413 717 W N -0.209 121.252 121.300 0.269 0.000 3.005 717 W HA 0.810 5.478 4.660 0.013 0.000 0.343 717 W C -1.130 175.398 176.519 0.015 0.000 1.243 717 W CA -0.638 56.739 57.345 0.054 0.000 1.186 717 W CB 1.182 30.647 29.460 0.008 0.000 1.453 717 W HN 1.044 nan 8.180 nan 0.000 0.575 718 Q N 1.274 121.065 119.800 -0.016 0.000 2.527 718 Q HA 0.400 4.747 4.340 0.012 0.000 0.280 718 Q C -1.953 173.840 176.000 -0.345 0.000 0.977 718 Q CA -0.562 55.078 55.803 -0.273 0.000 0.837 718 Q CB 2.517 30.879 28.738 -0.627 0.000 1.454 718 Q HN 0.637 nan 8.270 nan 0.000 0.387 719 Q N 2.282 121.846 119.800 -0.393 0.000 2.372 719 Q HA 0.678 5.025 4.340 0.012 0.000 0.273 719 Q C -1.546 174.359 176.000 -0.159 0.000 1.078 719 Q CA -0.519 55.224 55.803 -0.101 0.000 0.806 719 Q CB 1.435 30.239 28.738 0.110 0.000 1.332 719 Q HN 0.674 nan 8.270 nan 0.000 0.435 720 W N 2.393 123.868 121.300 0.291 0.000 2.950 720 W HA 0.508 5.175 4.660 0.012 0.000 0.340 720 W C -0.358 176.272 176.519 0.185 0.000 1.139 720 W CA -0.833 56.644 57.345 0.221 0.000 1.188 720 W CB 1.802 31.331 29.460 0.116 0.000 1.426 720 W HN 0.540 nan 8.180 nan 0.000 0.531 721 R N 1.560 122.166 120.500 0.176 0.000 2.438 721 R HA 0.404 4.751 4.340 0.012 0.000 0.287 721 R C 0.505 176.734 176.300 -0.119 0.000 1.077 721 R CA -0.107 55.803 56.100 -0.317 0.000 1.034 721 R CB 1.004 31.049 30.300 -0.425 0.000 0.993 721 R HN 0.300 nan 8.270 nan 0.000 0.459 722 L N 1.224 122.342 121.223 -0.174 0.000 2.719 722 L HA 0.521 4.868 4.340 0.012 0.000 0.182 722 L C 0.570 177.351 176.870 -0.149 0.000 1.940 722 L CA -0.949 53.831 54.840 -0.101 0.000 2.839 722 L CB -0.084 41.947 42.059 -0.046 0.000 2.949 722 L HN 0.590 nan 8.230 nan 0.000 0.669 723 A N 0.235 122.989 122.820 -0.109 0.000 2.386 723 A HA 0.245 4.572 4.320 0.012 0.000 0.248 723 A C -0.370 177.132 177.584 -0.136 0.000 1.082 723 A CA 0.042 52.016 52.037 -0.106 0.000 0.789 723 A CB 0.307 19.267 19.000 -0.066 0.000 1.025 723 A HN 0.584 nan 8.150 nan 0.000 0.490 724 E N 1.145 121.271 120.200 -0.123 0.000 2.187 724 E HA 0.270 4.627 4.350 0.012 0.000 0.268 724 E C -1.279 175.281 176.600 -0.067 0.000 0.896 724 E CA -0.688 55.638 56.400 -0.124 0.000 0.766 724 E CB 0.712 30.326 29.700 -0.143 0.000 1.142 724 E HN 0.660 nan 8.360 nan 0.000 0.408 725 N N 5.194 123.867 118.700 -0.045 0.000 2.546 725 N HA 0.246 4.994 4.740 0.012 0.000 0.238 725 N C -0.469 175.035 175.510 -0.010 0.000 0.984 725 N CA -0.275 52.762 53.050 -0.020 0.000 0.935 725 N CB 0.947 39.430 38.487 -0.007 0.000 1.122 725 N HN 0.481 nan 8.380 nan 0.000 0.510 726 L N 0.622 121.839 121.223 -0.009 0.000 2.461 726 L HA 0.087 4.434 4.340 0.012 0.000 0.272 726 L C 1.290 178.169 176.870 0.015 0.000 1.197 726 L CA 0.085 54.927 54.840 0.004 0.000 0.836 726 L CB 0.452 42.514 42.059 0.005 0.000 1.105 726 L HN 0.356 nan 8.230 nan 0.000 0.477 727 S N 1.404 117.120 115.700 0.026 0.000 2.481 727 S HA 0.231 4.708 4.470 0.012 0.000 0.276 727 S C 0.549 175.166 174.600 0.028 0.000 1.247 727 S CA -0.787 57.432 58.200 0.030 0.000 1.053 727 S CB 0.698 63.923 63.200 0.042 0.000 0.925 727 S HN 0.466 nan 8.310 nan 0.000 0.491 728 V N 2.416 122.345 119.914 0.024 0.000 3.380 728 V HA 0.334 4.461 4.120 0.012 0.000 0.307 728 V C 0.559 176.667 176.094 0.022 0.000 1.434 728 V CA 0.025 62.338 62.300 0.021 0.000 1.075 728 V CB -0.660 31.173 31.823 0.016 0.000 0.954 728 V HN 0.827 nan 8.190 nan 0.000 0.444 729 T N 0.667 115.236 114.554 0.025 0.000 2.851 729 T HA 0.635 4.992 4.350 0.012 0.000 0.298 729 T C -0.441 174.275 174.700 0.027 0.000 0.977 729 T CA -0.213 61.902 62.100 0.025 0.000 1.126 729 T CB 1.669 70.553 68.868 0.027 0.000 0.916 729 T HN 0.200 nan 8.240 nan 0.000 0.529 730 L N 5.385 126.623 121.223 0.024 0.000 2.290 730 L HA 0.375 4.723 4.340 0.012 0.000 0.284 730 L C -1.557 175.328 176.870 0.025 0.000 1.078 730 L CA -1.594 53.260 54.840 0.023 0.000 0.815 730 L CB 0.204 42.274 42.059 0.019 0.000 1.162 730 L HN 0.617 nan 8.230 nan 0.000 0.435 731 P HA 0.092 nan 4.420 nan 0.000 0.264 731 P C -0.639 176.670 177.300 0.016 0.000 1.179 731 P CA -0.335 62.778 63.100 0.022 0.000 0.763 731 P CB 0.394 32.105 31.700 0.017 0.000 0.806 732 A N 2.463 125.295 122.820 0.021 0.000 2.445 732 A HA 0.471 4.799 4.320 0.012 0.000 0.242 732 A C 0.734 178.306 177.584 -0.021 0.000 1.075 732 A CA 0.028 52.082 52.037 0.028 0.000 0.777 732 A CB -0.293 18.752 19.000 0.075 0.000 1.013 732 A HN 0.751 nan 8.150 nan 0.000 0.493 733 A N 1.767 124.582 122.820 -0.008 0.000 2.507 733 A HA 0.475 4.802 4.320 0.012 0.000 0.235 733 A C 0.942 178.360 177.584 -0.277 0.000 1.070 733 A CA 0.502 52.499 52.037 -0.068 0.000 0.768 733 A CB -0.321 18.679 19.000 -0.001 0.000 1.011 733 A HN 2.018 nan 8.150 nan 0.000 0.502 734 S N 0.461 115.988 115.700 -0.287 0.000 2.578 734 S HA 0.422 4.899 4.470 0.012 0.000 0.283 734 S C -0.160 174.182 174.600 -0.430 0.000 1.195 734 S CA -0.558 57.322 58.200 -0.533 0.000 1.050 734 S CB 0.368 63.412 63.200 -0.261 0.000 1.012 734 S HN 0.669 nan 8.310 nan 0.000 0.511 735 H N 1.564 120.649 119.070 0.026 0.000 2.820 735 H HA 0.659 5.222 4.556 0.012 0.000 0.291 735 H C 0.426 175.772 175.328 0.031 0.000 1.412 735 H CA 0.226 56.288 56.048 0.024 0.000 1.176 735 H CB -0.497 29.279 29.762 0.022 0.000 1.467 735 H HN 0.897 nan 8.280 nan 0.000 0.517 736 A N 1.424 124.261 122.820 0.028 0.000 2.490 736 A HA 0.494 4.821 4.320 0.012 0.000 0.292 736 A C -1.904 175.691 177.584 0.019 0.000 1.047 736 A CA -0.752 51.311 52.037 0.043 0.000 0.632 736 A CB 1.359 20.400 19.000 0.067 0.000 1.323 736 A HN 0.235 nan 8.150 nan 0.000 0.448 737 I N 0.493 121.088 120.570 0.042 0.000 2.586 737 I HA 0.608 4.785 4.170 0.012 0.000 0.288 737 I C -3.152 172.991 176.117 0.044 0.000 1.147 737 I CA -2.084 59.222 61.300 0.010 0.000 1.047 737 I CB 1.586 39.565 38.000 -0.035 0.000 1.244 737 I HN 0.350 nan 8.210 nan 0.000 0.429 738 P HA 0.233 nan 4.420 nan 0.000 0.268 738 P C -0.969 176.372 177.300 0.068 0.000 1.208 738 P CA 0.378 63.532 63.100 0.091 0.000 0.777 738 P CB 0.314 32.020 31.700 0.010 0.000 0.875 739 H N 0.991 120.090 119.070 0.049 0.000 2.492 739 H HA 0.412 4.975 4.556 0.012 0.000 0.345 739 H C -0.600 174.756 175.328 0.047 0.000 1.136 739 H CA -0.741 55.328 56.048 0.035 0.000 1.202 739 H CB 1.899 31.684 29.762 0.039 0.000 1.524 739 H HN 0.253 nan 8.280 nan 0.000 0.506 740 L N 2.242 123.535 121.223 0.116 0.000 2.317 740 L HA 0.365 4.712 4.340 0.012 0.000 0.281 740 L C -0.490 176.458 176.870 0.130 0.000 1.024 740 L CA -0.080 54.821 54.840 0.100 0.000 0.810 740 L CB 1.819 43.880 42.059 0.003 0.000 1.240 740 L HN 0.476 nan 8.230 nan 0.000 0.427 741 T N 3.224 117.869 114.554 0.152 0.000 2.824 741 T HA 0.613 4.970 4.350 0.012 0.000 0.282 741 T C -0.662 174.145 174.700 0.178 0.000 0.993 741 T CA -0.358 61.824 62.100 0.136 0.000 0.967 741 T CB 1.371 70.300 68.868 0.103 0.000 0.960 741 T HN 0.720 nan 8.240 nan 0.000 0.441 742 T N 2.531 117.185 114.554 0.166 0.000 2.885 742 T HA 0.761 5.118 4.350 0.012 0.000 0.285 742 T C -0.246 174.502 174.700 0.079 0.000 1.019 742 T CA -0.775 61.440 62.100 0.191 0.000 1.010 742 T CB 1.506 70.513 68.868 0.232 0.000 1.022 742 T HN 0.698 nan 8.240 nan 0.000 0.466 743 S N 0.692 116.398 115.700 0.010 0.000 2.697 743 S HA 0.466 4.943 4.470 0.012 0.000 0.289 743 S C 0.855 175.402 174.600 -0.088 0.000 1.149 743 S CA -0.870 57.317 58.200 -0.022 0.000 0.850 743 S CB 1.805 64.996 63.200 -0.014 0.000 1.151 743 S HN 0.738 nan 8.310 nan 0.000 0.491 744 E N -0.388 119.772 120.200 -0.067 0.000 2.160 744 E HA -0.122 4.235 4.350 0.012 0.000 0.195 744 E C 1.100 177.619 176.600 -0.135 0.000 0.991 744 E CA 1.216 57.562 56.400 -0.089 0.000 0.810 744 E CB -0.089 29.580 29.700 -0.052 0.000 0.742 744 E HN 0.588 nan 8.360 nan 0.000 0.466 745 M N 0.106 119.641 119.600 -0.109 0.000 2.516 745 M HA 0.158 4.645 4.480 0.012 0.000 0.259 745 M C 0.157 176.378 176.300 -0.132 0.000 1.146 745 M CA 0.576 55.817 55.300 -0.099 0.000 1.122 745 M CB 0.391 32.968 32.600 -0.038 0.000 1.341 745 M HN -0.095 nan 8.290 nan 0.000 0.478 746 D N -1.172 119.131 120.400 -0.160 0.000 2.583 746 D HA 0.413 5.060 4.640 0.012 0.000 0.248 746 D C -1.622 174.577 176.300 -0.167 0.000 1.209 746 D CA -0.357 53.569 54.000 -0.123 0.000 0.848 746 D CB 2.597 43.413 40.800 0.028 0.000 1.431 746 D HN -0.086 nan 8.370 nan 0.000 0.436 747 F N 1.035 121.070 119.950 0.142 0.000 2.427 747 F HA 0.360 4.894 4.527 0.012 0.000 0.348 747 F C 0.012 175.948 175.800 0.227 0.000 1.125 747 F CA -0.811 57.270 58.000 0.135 0.000 0.989 747 F CB 1.302 40.340 39.000 0.063 0.000 1.165 747 F HN 0.047 nan 8.300 nan 0.000 0.442 748 C N 4.985 124.502 119.300 0.362 0.000 2.322 748 C HA 0.724 5.191 4.460 0.012 0.000 0.324 748 C C -0.186 174.976 174.990 0.287 0.000 1.284 748 C CA -0.841 58.360 59.018 0.305 0.000 1.606 748 C CB 0.230 28.078 27.740 0.179 0.000 2.251 748 C HN 0.537 nan 8.230 nan 0.000 0.502 749 I N 2.603 123.395 120.570 0.369 0.000 2.509 749 I HA 0.531 4.708 4.170 0.012 0.000 0.293 749 I C -0.107 176.279 176.117 0.449 0.000 1.020 749 I CA -0.181 61.330 61.300 0.351 0.000 1.088 749 I CB 1.445 39.638 38.000 0.322 0.000 1.267 749 I HN 0.671 nan 8.210 nan 0.000 0.430 750 E N 5.563 125.966 120.200 0.338 0.000 2.272 750 E HA 0.737 5.094 4.350 0.012 0.000 0.269 750 E C -1.899 174.882 176.600 0.302 0.000 0.877 750 E CA -0.822 55.746 56.400 0.280 0.000 0.755 750 E CB 2.210 31.974 29.700 0.106 0.000 1.192 750 E HN 0.528 nan 8.360 nan 0.000 0.422 751 L N 5.156 126.566 121.223 0.313 0.000 2.620 751 L HA 0.518 4.865 4.340 0.012 0.000 0.261 751 L C 0.169 177.137 176.870 0.164 0.000 0.978 751 L CA 0.771 55.769 54.840 0.262 0.000 0.897 751 L CB 1.182 43.459 42.059 0.363 0.000 1.207 751 L HN 0.820 nan 8.230 nan 0.000 0.425 752 G N 4.454 113.312 108.800 0.096 0.000 2.629 752 G HA2 -0.447 3.521 3.960 0.012 0.000 0.313 752 G HA3 -0.447 3.521 3.960 0.012 0.000 0.313 752 G C 0.617 175.521 174.900 0.008 0.000 1.217 752 G CA 0.666 45.794 45.100 0.048 0.000 0.994 752 G HN 1.220 nan 8.290 nan 0.000 0.549 753 N N 1.633 120.330 118.700 -0.004 0.000 2.449 753 N HA 0.096 4.843 4.740 0.012 0.000 0.191 753 N C 0.466 175.929 175.510 -0.078 0.000 1.161 753 N CA 1.057 54.084 53.050 -0.039 0.000 0.863 753 N CB 0.111 38.577 38.487 -0.035 0.000 0.980 753 N HN 0.751 nan 8.380 nan 0.000 0.458 754 K N 0.193 120.542 120.400 -0.085 0.000 2.203 754 K HA 0.522 4.850 4.320 0.012 0.000 0.251 754 K C -0.353 176.056 176.600 -0.319 0.000 0.944 754 K CA -0.628 55.491 56.287 -0.281 0.000 0.829 754 K CB 2.053 34.320 32.500 -0.388 0.000 1.125 754 K HN -0.024 nan 8.250 nan 0.000 0.430 755 R N 1.247 121.451 120.500 -0.492 0.000 2.651 755 R HA 0.415 4.762 4.340 0.012 0.000 0.278 755 R C -1.256 174.874 176.300 -0.282 0.000 1.010 755 R CA -0.872 55.110 56.100 -0.197 0.000 0.896 755 R CB 1.822 32.092 30.300 -0.049 0.000 1.211 755 R HN 0.543 nan 8.270 nan 0.000 0.456 756 W N 2.102 123.522 121.300 0.201 0.000 2.785 756 W HA 0.352 5.019 4.660 0.012 0.000 0.333 756 W C -0.483 176.143 176.519 0.179 0.000 1.062 756 W CA -0.566 56.848 57.345 0.115 0.000 1.233 756 W CB 2.329 31.862 29.460 0.123 0.000 1.413 756 W HN 0.424 nan 8.180 nan 0.000 0.489 757 Q N 2.507 122.447 119.800 0.233 0.000 2.325 757 Q HA 0.460 4.807 4.340 0.012 0.000 0.270 757 Q C -1.893 174.103 176.000 -0.008 0.000 1.020 757 Q CA -0.467 55.480 55.803 0.240 0.000 0.785 757 Q CB 1.425 30.349 28.738 0.311 0.000 1.259 757 Q HN 0.319 nan 8.270 nan 0.000 0.452 758 F N 2.761 122.805 119.950 0.157 0.000 2.426 758 F HA 0.326 4.860 4.527 0.012 0.000 0.348 758 F C 0.502 176.344 175.800 0.070 0.000 1.124 758 F CA -0.888 57.174 58.000 0.103 0.000 1.008 758 F CB 1.338 40.408 39.000 0.117 0.000 1.139 758 F HN 0.507 nan 8.300 nan 0.000 0.452 759 N N 3.674 122.483 118.700 0.182 0.000 2.442 759 N HA 0.076 4.823 4.740 0.012 0.000 0.265 759 N C 0.872 176.414 175.510 0.053 0.000 1.138 759 N CA 0.046 53.155 53.050 0.099 0.000 0.956 759 N CB 0.733 39.283 38.487 0.106 0.000 1.067 759 N HN 0.700 nan 8.380 nan 0.000 0.474 760 R N 2.307 122.766 120.500 -0.069 0.000 2.276 760 R HA -0.037 4.310 4.340 0.012 0.000 0.203 760 R C 1.619 177.869 176.300 -0.083 0.000 1.017 760 R CA 0.632 56.644 56.100 -0.147 0.000 1.010 760 R CB 0.259 30.346 30.300 -0.355 0.000 0.900 760 R HN 0.679 nan 8.270 nan 0.000 0.469 761 Q N 0.107 119.885 119.800 -0.037 0.000 2.134 761 Q HA -0.060 4.288 4.340 0.012 0.000 0.195 761 Q C 1.879 177.884 176.000 0.009 0.000 0.958 761 Q CA 1.597 57.390 55.803 -0.016 0.000 0.840 761 Q CB 0.348 29.090 28.738 0.007 0.000 0.918 761 Q HN 0.317 nan 8.270 nan 0.000 0.467 762 S N -2.032 113.702 115.700 0.058 0.000 2.470 762 S HA 0.178 4.655 4.470 0.012 0.000 0.222 762 S C 1.351 175.924 174.600 -0.045 0.000 1.024 762 S CA 0.635 58.898 58.200 0.105 0.000 0.931 762 S CB 0.763 64.144 63.200 0.300 0.000 0.791 762 S HN 0.547 nan 8.310 nan 0.000 0.513 763 G N 0.367 109.146 108.800 -0.036 0.000 2.141 763 G HA2 -0.204 3.763 3.960 0.012 0.000 0.242 763 G HA3 -0.204 3.763 3.960 0.012 0.000 0.242 763 G C -0.108 174.744 174.900 -0.080 0.000 0.982 763 G CA 0.150 45.189 45.100 -0.103 0.000 0.662 763 G HN 0.528 nan 8.290 nan 0.000 0.527 764 F N -1.156 118.971 119.950 0.295 0.000 2.575 764 F HA 0.686 5.220 4.527 0.012 0.000 0.330 764 F C 0.491 176.301 175.800 0.017 0.000 1.056 764 F CA -1.487 56.640 58.000 0.212 0.000 0.964 764 F CB 1.454 40.536 39.000 0.138 0.000 1.258 764 F HN 0.020 nan 8.300 nan 0.000 0.484 765 L N 1.884 123.113 121.223 0.008 0.000 2.530 765 L HA 0.149 4.496 4.340 0.012 0.000 0.273 765 L C 1.016 177.771 176.870 -0.192 0.000 1.141 765 L CA 0.483 55.016 54.840 -0.511 0.000 0.905 765 L CB 0.472 42.169 42.059 -0.603 0.000 1.202 765 L HN 0.723 nan 8.230 nan 0.000 0.473 766 S N 2.688 118.276 115.700 -0.187 0.000 2.470 766 S HA 0.219 4.696 4.470 0.012 0.000 0.222 766 S C 0.595 175.078 174.600 -0.196 0.000 1.024 766 S CA 0.032 58.170 58.200 -0.104 0.000 0.931 766 S CB 0.081 63.274 63.200 -0.012 0.000 0.791 766 S HN 0.686 nan 8.310 nan 0.000 0.513 767 Q N -0.224 119.409 119.800 -0.279 0.000 2.472 767 Q HA 0.683 5.030 4.340 0.012 0.000 0.281 767 Q C -2.008 173.670 176.000 -0.536 0.000 0.997 767 Q CA -0.281 55.228 55.803 -0.491 0.000 0.828 767 Q CB 1.804 30.127 28.738 -0.691 0.000 1.443 767 Q HN 0.452 nan 8.270 nan 0.000 0.390 768 M N 1.661 120.829 119.600 -0.720 0.000 2.446 768 M HA 0.583 5.070 4.480 0.012 0.000 0.294 768 M C -1.471 174.431 176.300 -0.663 0.000 1.158 768 M CA -0.412 54.534 55.300 -0.590 0.000 0.899 768 M CB 2.214 34.443 32.600 -0.618 0.000 1.687 768 M HN 0.456 nan 8.290 nan 0.000 0.455 769 W N 3.730 124.791 121.300 -0.398 0.000 2.702 769 W HA 0.689 5.356 4.660 0.012 0.000 0.331 769 W C -1.311 175.008 176.519 -0.334 0.000 1.049 769 W CA -0.647 56.524 57.345 -0.289 0.000 1.230 769 W CB 1.661 30.988 29.460 -0.222 0.000 1.408 769 W HN 0.499 nan 8.180 nan 0.000 0.492 770 I N 2.230 122.777 120.570 -0.038 0.000 2.498 770 I HA 0.566 4.743 4.170 0.012 0.000 0.290 770 I C 0.849 176.947 176.117 -0.031 0.000 1.032 770 I CA -0.155 61.090 61.300 -0.092 0.000 1.073 770 I CB 1.575 39.493 38.000 -0.136 0.000 1.251 770 I HN 0.694 nan 8.210 nan 0.000 0.426 771 G N 5.149 113.925 108.800 -0.041 0.000 2.591 771 G HA2 -0.254 3.713 3.960 0.012 0.000 0.298 771 G HA3 -0.254 3.713 3.960 0.012 0.000 0.298 771 G C 0.092 174.995 174.900 0.006 0.000 1.195 771 G CA 0.442 45.527 45.100 -0.026 0.000 0.989 771 G HN 0.674 nan 8.290 nan 0.000 0.551 772 D N 0.942 121.359 120.400 0.029 0.000 2.696 772 D HA 0.314 4.961 4.640 0.012 0.000 0.269 772 D C 0.398 176.823 176.300 0.208 0.000 1.319 772 D CA -0.055 53.991 54.000 0.078 0.000 0.826 772 D CB 0.812 41.610 40.800 -0.002 0.000 1.086 772 D HN 0.279 nan 8.370 nan 0.000 0.481 773 K N 1.054 121.538 120.400 0.140 0.000 2.185 773 K HA 0.245 4.572 4.320 0.012 0.000 0.269 773 K C 0.047 176.630 176.600 -0.027 0.000 0.987 773 K CA -0.485 55.850 56.287 0.080 0.000 0.865 773 K CB 1.336 33.833 32.500 -0.004 0.000 1.090 773 K HN -0.262 nan 8.250 nan 0.000 0.450 774 K N 2.634 122.928 120.400 -0.175 0.000 2.448 774 K HA -0.014 4.313 4.320 0.012 0.000 0.278 774 K C 0.531 176.931 176.600 -0.334 0.000 1.009 774 K CA 0.071 56.023 56.287 -0.559 0.000 0.995 774 K CB 0.704 32.936 32.500 -0.446 0.000 0.917 774 K HN 0.513 nan 8.250 nan 0.000 0.481 775 Q N 1.592 121.169 119.800 -0.372 0.000 2.350 775 Q HA 0.198 4.545 4.340 0.012 0.000 0.225 775 Q C 0.087 175.999 176.000 -0.146 0.000 0.878 775 Q CA 0.446 56.159 55.803 -0.150 0.000 0.935 775 Q CB 0.596 29.290 28.738 -0.074 0.000 1.099 775 Q HN 0.503 nan 8.270 nan 0.000 0.527 776 L N 0.580 121.653 121.223 -0.251 0.000 2.354 776 L HA 0.401 4.748 4.340 0.012 0.000 0.269 776 L C 0.810 177.542 176.870 -0.230 0.000 1.005 776 L CA -0.379 54.334 54.840 -0.210 0.000 0.819 776 L CB 1.844 43.764 42.059 -0.230 0.000 1.311 776 L HN -0.059 nan 8.230 nan 0.000 0.423 777 L N 0.581 121.661 121.223 -0.238 0.000 2.575 777 L HA 0.167 4.515 4.340 0.012 0.000 0.228 777 L C 0.588 177.330 176.870 -0.213 0.000 1.075 777 L CA 0.425 55.132 54.840 -0.223 0.000 0.867 777 L CB 0.635 42.546 42.059 -0.247 0.000 1.097 777 L HN 0.737 nan 8.230 nan 0.000 0.485 778 T N -2.851 111.549 114.554 -0.256 0.000 2.912 778 T HA 0.532 4.889 4.350 0.012 0.000 0.299 778 T C -2.869 171.745 174.700 -0.145 0.000 1.052 778 T CA -2.037 59.956 62.100 -0.178 0.000 0.996 778 T CB 2.349 71.118 68.868 -0.166 0.000 1.070 778 T HN -0.309 nan 8.240 nan 0.000 0.465 779 P HA 0.224 nan 4.420 nan 0.000 0.270 779 P C -0.601 176.647 177.300 -0.087 0.000 1.227 779 P CA -0.726 62.325 63.100 -0.081 0.000 0.788 779 P CB 0.298 31.974 31.700 -0.039 0.000 0.926 780 L N 2.785 123.991 121.223 -0.030 0.000 2.278 780 L HA 0.309 4.657 4.340 0.012 0.000 0.287 780 L C 0.080 176.888 176.870 -0.103 0.000 1.072 780 L CA 0.518 55.377 54.840 0.031 0.000 0.819 780 L CB -0.580 41.606 42.059 0.212 0.000 1.176 780 L HN 0.299 nan 8.230 nan 0.000 0.435 781 R N 2.668 123.023 120.500 -0.243 0.000 2.808 781 R HA 0.455 4.802 4.340 0.012 0.000 0.272 781 R C -1.055 175.110 176.300 -0.225 0.000 0.995 781 R CA -1.056 54.727 56.100 -0.529 0.000 0.917 781 R CB 1.274 31.100 30.300 -0.789 0.000 1.217 781 R HN 0.546 nan 8.270 nan 0.000 0.471 782 D N 1.177 121.517 120.400 -0.100 0.000 2.400 782 D HA 0.046 4.694 4.640 0.012 0.000 0.238 782 D C -0.444 175.494 176.300 -0.604 0.000 1.157 782 D CA 0.399 54.205 54.000 -0.325 0.000 0.889 782 D CB 0.641 41.221 40.800 -0.367 0.000 1.199 782 D HN 0.209 nan 8.370 nan 0.000 0.436 783 Q N 1.051 120.287 119.800 -0.940 0.000 2.271 783 Q HA 0.325 4.672 4.340 0.012 0.000 0.268 783 Q C -1.264 173.993 176.000 -1.239 0.000 1.021 783 Q CA -0.563 54.734 55.803 -0.843 0.000 0.802 783 Q CB 0.792 29.247 28.738 -0.472 0.000 1.282 783 Q HN 0.569 nan 8.270 nan 0.000 0.431 784 F N 0.738 120.281 119.950 -0.678 0.000 2.706 784 F HA 0.198 4.732 4.527 0.012 0.000 0.313 784 F C 0.667 176.004 175.800 -0.772 0.000 1.096 784 F CA -0.133 57.339 58.000 -0.879 0.000 1.219 784 F CB 1.550 39.646 39.000 -1.507 0.000 1.051 784 F HN 0.449 nan 8.300 nan 0.000 0.568 785 T N -0.892 113.330 114.554 -0.554 0.000 2.907 785 T HA 0.751 5.108 4.350 0.012 0.000 0.290 785 T C -0.578 173.854 174.700 -0.447 0.000 1.066 785 T CA -0.999 60.706 62.100 -0.658 0.000 1.012 785 T CB 2.713 71.115 68.868 -0.777 0.000 1.184 785 T HN 0.230 nan 8.240 nan 0.000 0.522 786 R N -0.087 120.184 120.500 -0.382 0.000 2.837 786 R HA 0.785 5.132 4.340 0.012 0.000 0.271 786 R C -0.767 175.583 176.300 0.083 0.000 0.993 786 R CA -1.237 54.782 56.100 -0.135 0.000 0.931 786 R CB 1.534 31.753 30.300 -0.135 0.000 1.206 786 R HN 0.814 nan 8.270 nan 0.000 0.474 787 A N 3.472 126.325 122.820 0.055 0.000 2.484 787 A HA 0.274 4.601 4.320 0.012 0.000 0.268 787 A C -1.960 175.684 177.584 0.101 0.000 1.114 787 A CA -1.353 50.716 52.037 0.054 0.000 0.780 787 A CB -0.450 18.525 19.000 -0.042 0.000 1.061 787 A HN 0.583 nan 8.150 nan 0.000 0.505 788 P HA 0.084 nan 4.420 nan 0.000 0.264 788 P C -0.249 177.164 177.300 0.188 0.000 1.193 788 P CA 0.399 63.660 63.100 0.269 0.000 0.763 788 P CB 0.464 32.364 31.700 0.332 0.000 0.810 789 L N 2.594 123.896 121.223 0.133 0.000 2.466 789 L HA 0.144 4.492 4.340 0.012 0.000 0.257 789 L C 1.938 178.824 176.870 0.027 0.000 1.189 789 L CA -0.481 54.373 54.840 0.022 0.000 0.813 789 L CB -0.072 41.933 42.059 -0.090 0.000 1.118 789 L HN 0.316 nan 8.230 nan 0.000 0.471 790 D N 0.464 120.824 120.400 -0.067 0.000 2.133 790 D HA -0.179 4.469 4.640 0.012 0.000 0.195 790 D C 1.576 177.810 176.300 -0.109 0.000 0.997 790 D CA 1.522 55.408 54.000 -0.189 0.000 0.840 790 D CB 0.017 40.626 40.800 -0.318 0.000 0.947 790 D HN 0.488 nan 8.370 nan 0.000 0.452 791 N N 0.965 119.619 118.700 -0.076 0.000 2.309 791 N HA -0.104 4.643 4.740 0.012 0.000 0.182 791 N C 1.161 176.691 175.510 0.033 0.000 1.018 791 N CA 0.673 53.708 53.050 -0.025 0.000 0.876 791 N CB -0.149 38.314 38.487 -0.041 0.000 0.972 791 N HN 0.254 nan 8.380 nan 0.000 0.434 792 D N 0.373 120.804 120.400 0.052 0.000 2.234 792 D HA 0.057 4.704 4.640 0.012 0.000 0.205 792 D C 1.947 178.292 176.300 0.074 0.000 0.962 792 D CA 0.366 54.425 54.000 0.099 0.000 0.855 792 D CB 0.183 41.112 40.800 0.215 0.000 0.951 792 D HN 0.319 nan 8.370 nan 0.000 0.500 793 I N 0.186 120.790 120.570 0.056 0.000 2.585 793 I HA 0.060 4.237 4.170 0.012 0.000 0.254 793 I C 1.829 177.971 176.117 0.043 0.000 1.129 793 I CA 0.532 61.852 61.300 0.035 0.000 1.455 793 I CB -0.321 37.671 38.000 -0.014 0.000 1.111 793 I HN 0.030 nan 8.210 nan 0.000 0.433 794 G N 1.564 110.406 108.800 0.070 0.000 2.611 794 G HA2 -0.364 3.603 3.960 0.012 0.000 0.301 794 G HA3 -0.364 3.603 3.960 0.012 0.000 0.301 794 G C 0.783 175.845 174.900 0.270 0.000 1.233 794 G CA 1.020 46.227 45.100 0.178 0.000 0.993 794 G HN 0.511 nan 8.290 nan 0.000 0.553 795 V N -1.754 118.266 119.914 0.177 0.000 3.633 795 V HA 0.562 4.689 4.120 0.012 0.000 0.283 795 V C 1.367 177.481 176.094 0.033 0.000 1.305 795 V CA 1.312 63.660 62.300 0.080 0.000 1.153 795 V CB -0.070 31.693 31.823 -0.099 0.000 0.950 795 V HN 1.186 nan 8.190 nan 0.000 0.432 796 S N 0.916 116.638 115.700 0.036 0.000 2.568 796 S HA 0.323 4.800 4.470 0.012 0.000 0.282 796 S C -0.122 174.487 174.600 0.015 0.000 1.338 796 S CA 0.129 58.334 58.200 0.008 0.000 1.045 796 S CB 0.435 63.636 63.200 0.002 0.000 0.873 796 S HN 0.824 nan 8.310 nan 0.000 0.516 797 E N 0.743 120.946 120.200 0.005 0.000 2.413 797 E HA 0.551 4.908 4.350 0.012 0.000 0.277 797 E C 0.238 176.846 176.600 0.012 0.000 0.958 797 E CA -0.427 55.981 56.400 0.013 0.000 0.779 797 E CB 1.463 31.168 29.700 0.008 0.000 1.278 797 E HN 0.576 nan 8.360 nan 0.000 0.456 798 A N 0.689 123.522 122.820 0.021 0.000 1.969 798 A HA -0.134 4.194 4.320 0.012 0.000 0.218 798 A C 1.925 179.516 177.584 0.012 0.000 1.169 798 A CA 2.122 54.170 52.037 0.018 0.000 0.635 798 A CB -0.623 18.392 19.000 0.024 0.000 0.810 798 A HN 0.589 nan 8.150 nan 0.000 0.445 799 T N -2.425 112.135 114.554 0.011 0.000 3.118 799 T HA 0.033 4.390 4.350 0.012 0.000 0.260 799 T C 0.791 175.487 174.700 -0.006 0.000 1.139 799 T CA 0.852 62.955 62.100 0.005 0.000 1.085 799 T CB -0.249 68.622 68.868 0.005 0.000 0.934 799 T HN 0.429 nan 8.240 nan 0.000 0.518 800 R N 0.875 121.369 120.500 -0.009 0.000 3.107 800 R HA 0.279 4.626 4.340 0.012 0.000 0.224 800 R C -1.281 175.007 176.300 -0.021 0.000 1.734 800 R CA -0.652 55.435 56.100 -0.021 0.000 1.303 800 R CB -0.089 30.191 30.300 -0.032 0.000 1.570 800 R HN 0.170 nan 8.270 nan 0.000 0.606 801 I N 1.875 122.435 120.570 -0.017 0.000 2.692 801 I HA 0.012 4.189 4.170 0.012 0.000 0.284 801 I C 0.417 176.516 176.117 -0.030 0.000 1.159 801 I CA 0.144 61.434 61.300 -0.018 0.000 1.423 801 I CB 0.774 38.766 38.000 -0.013 0.000 1.380 801 I HN 0.491 nan 8.210 nan 0.000 0.580 802 D N 8.433 128.812 120.400 -0.034 0.000 2.460 802 D HA 0.304 4.952 4.640 0.012 0.000 0.232 802 D C -1.798 174.462 176.300 -0.068 0.000 1.079 802 D CA -2.169 51.801 54.000 -0.049 0.000 0.864 802 D CB 1.603 42.377 40.800 -0.044 0.000 1.048 802 D HN 0.200 nan 8.370 nan 0.000 0.523 803 P HA -0.089 nan 4.420 nan 0.000 0.228 803 P C 0.701 177.913 177.300 -0.146 0.000 1.151 803 P CA 0.511 63.556 63.100 -0.092 0.000 0.770 803 P CB 0.454 32.110 31.700 -0.074 0.000 0.786 804 N N 0.104 118.711 118.700 -0.154 0.000 2.392 804 N HA 0.065 4.812 4.740 0.012 0.000 0.177 804 N C 0.480 175.809 175.510 -0.302 0.000 1.066 804 N CA -0.005 52.911 53.050 -0.224 0.000 0.895 804 N CB -0.389 37.993 38.487 -0.175 0.000 0.988 804 N HN -0.047 nan 8.380 nan 0.000 0.457 805 A N -0.424 122.267 122.820 -0.215 0.000 2.483 805 A HA 0.084 4.411 4.320 0.012 0.000 0.238 805 A C 0.743 178.132 177.584 -0.324 0.000 1.070 805 A CA -0.323 51.587 52.037 -0.213 0.000 0.770 805 A CB -0.170 18.777 19.000 -0.089 0.000 1.008 805 A HN 0.516 nan 8.150 nan 0.000 0.497 806 W N 1.595 122.648 121.300 -0.413 0.000 2.318 806 W HA -0.187 4.480 4.660 0.012 0.000 0.313 806 W C 2.243 178.188 176.519 -0.955 0.000 1.221 806 W CA 1.777 58.608 57.345 -0.857 0.000 1.266 806 W CB -0.370 28.441 29.460 -1.082 0.000 1.150 806 W HN 0.565 nan 8.180 nan 0.000 0.496 807 V N 0.866 120.654 119.914 -0.210 0.000 2.392 807 V HA -0.270 3.857 4.120 0.012 0.000 0.249 807 V C 2.139 178.311 176.094 0.129 0.000 1.059 807 V CA 2.162 64.552 62.300 0.150 0.000 1.051 807 V CB -0.346 31.606 31.823 0.215 0.000 0.658 807 V HN 0.092 nan 8.190 nan 0.000 0.455 808 E N -0.053 120.135 120.200 -0.020 0.000 2.107 808 E HA -0.156 4.201 4.350 0.012 0.000 0.191 808 E C 2.354 178.927 176.600 -0.045 0.000 0.982 808 E CA 1.028 57.419 56.400 -0.015 0.000 0.809 808 E CB -0.322 29.346 29.700 -0.053 0.000 0.756 808 E HN 0.629 nan 8.360 nan 0.000 0.459 809 R N -0.127 120.271 120.500 -0.170 0.000 2.081 809 R HA -0.120 4.228 4.340 0.012 0.000 0.235 809 R C 2.275 178.524 176.300 -0.086 0.000 1.131 809 R CA 1.222 57.205 56.100 -0.195 0.000 0.960 809 R CB -0.196 29.871 30.300 -0.389 0.000 0.856 809 R HN 0.259 nan 8.270 nan 0.000 0.436 810 W N 1.532 122.800 121.300 -0.052 0.000 2.381 810 W HA -0.068 4.599 4.660 0.012 0.000 0.301 810 W C 1.987 178.462 176.519 -0.073 0.000 1.205 810 W CA 0.653 57.854 57.345 -0.240 0.000 1.285 810 W CB -0.635 28.840 29.460 0.025 0.000 1.133 810 W HN 0.098 nan 8.180 nan 0.000 0.521 811 K N 0.151 120.771 120.400 0.367 0.000 2.026 811 K HA -0.109 4.218 4.320 0.012 0.000 0.208 811 K C 2.274 178.939 176.600 0.108 0.000 1.048 811 K CA 1.906 58.363 56.287 0.283 0.000 0.929 811 K CB -0.607 32.005 32.500 0.187 0.000 0.713 811 K HN -0.020 nan 8.250 nan 0.000 0.439 812 A N 1.025 123.879 122.820 0.056 0.000 2.015 812 A HA -0.045 4.282 4.320 0.012 0.000 0.219 812 A C 2.186 179.773 177.584 0.006 0.000 1.163 812 A CA 1.650 53.704 52.037 0.027 0.000 0.646 812 A CB -0.488 18.517 19.000 0.008 0.000 0.806 812 A HN 0.337 nan 8.150 nan 0.000 0.448 813 A N -1.861 120.940 122.820 -0.033 0.000 2.167 813 A HA 0.395 4.722 4.320 0.012 0.000 0.214 813 A C 1.813 179.357 177.584 -0.066 0.000 1.151 813 A CA 1.272 53.301 52.037 -0.012 0.000 0.735 813 A CB -0.782 18.178 19.000 -0.065 0.000 0.802 813 A HN 1.842 nan 8.150 nan 0.000 0.467 814 G N -1.661 107.000 108.800 -0.232 0.000 2.141 814 G HA2 -0.290 3.677 3.960 0.012 0.000 0.242 814 G HA3 -0.290 3.677 3.960 0.012 0.000 0.242 814 G C 0.567 175.470 174.900 0.005 0.000 0.982 814 G CA 0.628 45.382 45.100 -0.575 0.000 0.662 814 G HN 0.740 nan 8.290 nan 0.000 0.527 815 H N -1.407 117.661 119.070 -0.003 0.000 2.387 815 H HA -0.117 4.446 4.556 0.012 0.000 0.299 815 H C 2.250 177.562 175.328 -0.026 0.000 1.099 815 H CA 1.646 57.710 56.048 0.026 0.000 1.315 815 H CB 0.052 29.758 29.762 -0.093 0.000 1.380 815 H HN 0.604 nan 8.280 nan 0.000 0.513 816 Y N 1.015 121.442 120.300 0.211 0.000 2.373 816 Y HA -0.133 4.424 4.550 0.012 0.000 0.293 816 Y C 2.276 178.262 175.900 0.142 0.000 1.129 816 Y CA 0.939 59.122 58.100 0.138 0.000 1.226 816 Y CB 0.284 38.808 38.460 0.106 0.000 1.000 816 Y HN 0.362 nan 8.280 nan 0.000 0.549 817 Q N -0.240 119.730 119.800 0.282 0.000 2.159 817 Q HA 0.428 4.775 4.340 0.012 0.000 0.217 817 Q C 0.249 176.437 176.000 0.314 0.000 0.818 817 Q CA -0.189 55.773 55.803 0.266 0.000 1.008 817 Q CB 0.414 29.295 28.738 0.238 0.000 1.148 817 Q HN 0.155 nan 8.270 nan 0.000 0.491 818 A N 1.846 124.877 122.820 0.352 0.000 2.462 818 A HA 0.189 4.516 4.320 0.012 0.000 0.243 818 A C -0.132 177.742 177.584 0.484 0.000 1.076 818 A CA -0.092 52.214 52.037 0.448 0.000 0.773 818 A CB 0.297 19.618 19.000 0.534 0.000 1.010 818 A HN 0.399 nan 8.150 nan 0.000 0.493 819 E N 1.071 121.465 120.200 0.325 0.000 2.183 819 E HA 0.508 4.865 4.350 0.012 0.000 0.271 819 E C -0.448 176.080 176.600 -0.119 0.000 0.919 819 E CA -0.763 55.744 56.400 0.177 0.000 0.781 819 E CB 1.847 31.621 29.700 0.123 0.000 1.140 819 E HN 0.718 nan 8.360 nan 0.000 0.402 820 A N 2.034 124.674 122.820 -0.300 0.000 2.492 820 A HA 0.448 4.775 4.320 0.012 0.000 0.254 820 A C -0.031 177.396 177.584 -0.263 0.000 1.091 820 A CA -0.093 51.514 52.037 -0.718 0.000 0.768 820 A CB 0.102 18.807 19.000 -0.490 0.000 1.028 820 A HN 0.621 nan 8.150 nan 0.000 0.498 821 A N 2.829 125.486 122.820 -0.272 0.000 2.304 821 A HA 0.592 4.919 4.320 0.012 0.000 0.323 821 A C -0.398 177.118 177.584 -0.114 0.000 1.195 821 A CA -0.562 51.406 52.037 -0.115 0.000 0.826 821 A CB 0.534 19.485 19.000 -0.081 0.000 1.184 821 A HN 1.204 nan 8.150 nan 0.000 0.496 822 L N 3.050 124.199 121.223 -0.122 0.000 2.319 822 L HA 0.383 4.730 4.340 0.012 0.000 0.280 822 L C 0.350 177.099 176.870 -0.202 0.000 1.099 822 L CA 0.289 54.963 54.840 -0.276 0.000 0.828 822 L CB 0.427 42.328 42.059 -0.263 0.000 1.150 822 L HN 0.767 nan 8.230 nan 0.000 0.442 823 L N 3.419 124.506 121.223 -0.225 0.000 2.609 823 L HA 0.348 4.696 4.340 0.012 0.000 0.230 823 L C 0.301 177.106 176.870 -0.107 0.000 1.064 823 L CA -0.003 54.766 54.840 -0.118 0.000 0.873 823 L CB 0.151 42.170 42.059 -0.066 0.000 1.139 823 L HN 0.722 nan 8.230 nan 0.000 0.490 824 Q N -0.207 119.501 119.800 -0.154 0.000 2.438 824 Q HA 0.336 4.683 4.340 0.012 0.000 0.272 824 Q C -2.060 173.885 176.000 -0.091 0.000 0.994 824 Q CA -0.526 55.225 55.803 -0.087 0.000 0.887 824 Q CB 3.049 31.760 28.738 -0.045 0.000 1.432 824 Q HN 0.048 nan 8.270 nan 0.000 0.392 825 C N 3.283 122.575 119.300 -0.013 0.000 2.789 825 C HA 0.767 5.234 4.460 0.012 0.000 0.367 825 C C -0.911 174.199 174.990 0.199 0.000 1.062 825 C CA 0.457 59.516 59.018 0.068 0.000 1.297 825 C CB 0.525 28.294 27.740 0.050 0.000 1.794 825 C HN 0.838 nan 8.230 nan 0.000 0.474 826 T N 2.360 116.983 114.554 0.115 0.000 2.901 826 T HA 0.914 5.271 4.350 0.012 0.000 0.293 826 T C -0.545 173.933 174.700 -0.370 0.000 1.084 826 T CA -0.326 61.778 62.100 0.006 0.000 1.008 826 T CB 1.954 70.802 68.868 -0.034 0.000 1.170 826 T HN 1.674 nan 8.240 nan 0.000 0.509 827 A N 1.367 123.764 122.820 -0.705 0.000 2.393 827 A HA 0.757 5.084 4.320 0.012 0.000 0.306 827 A C -1.302 176.006 177.584 -0.461 0.000 1.050 827 A CA -0.736 50.775 52.037 -0.877 0.000 0.724 827 A CB 1.280 19.247 19.000 -1.722 0.000 1.248 827 A HN 0.867 nan 8.150 nan 0.000 0.424 828 D N 1.428 121.630 120.400 -0.331 0.000 2.819 828 D HA 0.508 5.155 4.640 0.012 0.000 0.232 828 D C -0.798 175.391 176.300 -0.186 0.000 1.160 828 D CA 0.008 53.884 54.000 -0.208 0.000 0.858 828 D CB 2.315 43.025 40.800 -0.150 0.000 1.610 828 D HN 0.616 nan 8.370 nan 0.000 0.481 829 T N -0.142 114.325 114.554 -0.146 0.000 2.758 829 T HA 0.640 4.998 4.350 0.012 0.000 0.285 829 T C 0.514 175.151 174.700 -0.105 0.000 0.981 829 T CA -0.659 61.363 62.100 -0.129 0.000 0.965 829 T CB 0.877 69.674 68.868 -0.119 0.000 0.927 829 T HN 0.184 nan 8.240 nan 0.000 0.448 830 L N 2.195 123.359 121.223 -0.098 0.000 2.751 830 L HA 0.643 4.990 4.340 0.012 0.000 0.241 830 L C 2.251 179.079 176.870 -0.070 0.000 1.146 830 L CA -1.246 53.548 54.840 -0.077 0.000 0.879 830 L CB -0.017 42.000 42.059 -0.071 0.000 1.687 830 L HN 0.748 nan 8.230 nan 0.000 0.527 831 A N 0.351 123.138 122.820 -0.055 0.000 1.902 831 A HA -0.157 4.171 4.320 0.012 0.000 0.217 831 A C 1.046 178.600 177.584 -0.051 0.000 1.181 831 A CA 2.031 54.039 52.037 -0.048 0.000 0.623 831 A CB -0.477 18.502 19.000 -0.035 0.000 0.818 831 A HN 0.880 nan 8.150 nan 0.000 0.443 832 D N -2.604 117.764 120.400 -0.053 0.000 2.673 832 D HA 0.559 5.207 4.640 0.012 0.000 0.278 832 D C -0.110 176.152 176.300 -0.064 0.000 1.393 832 D CA 0.650 54.619 54.000 -0.052 0.000 0.805 832 D CB -0.251 40.523 40.800 -0.043 0.000 1.110 832 D HN 0.508 nan 8.370 nan 0.000 0.476 833 A N -0.702 122.071 122.820 -0.079 0.000 2.540 833 A HA 0.603 4.930 4.320 0.012 0.000 0.291 833 A C -1.827 175.685 177.584 -0.120 0.000 1.083 833 A CA -0.687 51.290 52.037 -0.099 0.000 0.650 833 A CB 1.382 20.326 19.000 -0.093 0.000 1.292 833 A HN 0.016 nan 8.150 nan 0.000 0.435 834 V N 0.512 120.336 119.914 -0.150 0.000 2.628 834 V HA 0.670 4.797 4.120 0.012 0.000 0.306 834 V C -0.937 175.041 176.094 -0.193 0.000 1.045 834 V CA -0.479 61.718 62.300 -0.172 0.000 0.905 834 V CB 1.495 33.214 31.823 -0.174 0.000 0.997 834 V HN 0.928 nan 8.190 nan 0.000 0.436 835 L N 6.101 127.204 121.223 -0.200 0.000 2.325 835 L HA 0.638 4.986 4.340 0.012 0.000 0.281 835 L C -0.842 175.872 176.870 -0.261 0.000 1.004 835 L CA 0.008 54.738 54.840 -0.184 0.000 0.823 835 L CB 1.306 43.288 42.059 -0.129 0.000 1.236 835 L HN 0.410 nan 8.230 nan 0.000 0.415 836 I N 4.197 124.600 120.570 -0.278 0.000 2.336 836 I HA 0.394 4.571 4.170 0.012 0.000 0.292 836 I C -0.063 176.007 176.117 -0.078 0.000 0.991 836 I CA -0.208 60.873 61.300 -0.365 0.000 1.227 836 I CB 1.427 38.909 38.000 -0.863 0.000 1.366 836 I HN 0.578 nan 8.210 nan 0.000 0.466 837 T N 5.087 119.603 114.554 -0.064 0.000 2.807 837 T HA 0.634 4.991 4.350 0.012 0.000 0.279 837 T C 0.225 174.966 174.700 0.068 0.000 0.993 837 T CA -0.513 61.603 62.100 0.027 0.000 0.970 837 T CB 1.765 70.625 68.868 -0.014 0.000 0.950 837 T HN 0.786 nan 8.240 nan 0.000 0.441 838 T N -0.460 114.176 114.554 0.137 0.000 2.865 838 T HA 0.897 5.254 4.350 0.012 0.000 0.294 838 T C -1.181 173.563 174.700 0.074 0.000 1.119 838 T CA -1.093 61.059 62.100 0.087 0.000 1.007 838 T CB 2.040 71.024 68.868 0.194 0.000 1.225 838 T HN 0.792 nan 8.240 nan 0.000 0.515 839 A N 1.032 123.819 122.820 -0.054 0.000 2.488 839 A HA 0.770 5.097 4.320 0.012 0.000 0.298 839 A C -1.541 175.944 177.584 -0.164 0.000 1.044 839 A CA -0.777 51.271 52.037 0.018 0.000 0.693 839 A CB 0.966 19.982 19.000 0.026 0.000 1.272 839 A HN 1.013 nan 8.150 nan 0.000 0.402 840 H N -0.149 118.971 119.070 0.083 0.000 2.895 840 H HA 0.777 5.340 4.556 0.012 0.000 0.373 840 H C -0.091 175.241 175.328 0.006 0.000 1.174 840 H CA 0.280 56.290 56.048 -0.064 0.000 1.144 840 H CB 2.163 31.798 29.762 -0.212 0.000 1.793 840 H HN 1.023 nan 8.280 nan 0.000 0.551 841 A N 1.747 124.567 122.820 0.001 0.000 2.342 841 A HA 0.419 4.746 4.320 0.012 0.000 0.323 841 A C -1.282 176.273 177.584 -0.050 0.000 1.125 841 A CA -0.697 51.406 52.037 0.110 0.000 0.785 841 A CB 1.063 20.110 19.000 0.079 0.000 1.221 841 A HN 0.577 nan 8.150 nan 0.000 0.463 842 W N 1.949 123.363 121.300 0.190 0.000 2.391 842 W HA 0.436 5.104 4.660 0.012 0.000 0.311 842 W C -0.301 176.255 176.519 0.061 0.000 1.087 842 W CA -0.075 57.385 57.345 0.191 0.000 1.209 842 W CB 1.603 31.249 29.460 0.309 0.000 1.273 842 W HN 0.774 nan 8.180 nan 0.000 0.482 843 Q N 1.367 121.307 119.800 0.232 0.000 2.484 843 Q HA 0.420 4.767 4.340 0.012 0.000 0.285 843 Q C -0.993 175.147 176.000 0.233 0.000 1.097 843 Q CA -0.916 54.982 55.803 0.158 0.000 0.802 843 Q CB 3.594 32.381 28.738 0.081 0.000 1.444 843 Q HN 0.394 nan 8.270 nan 0.000 0.429 844 H N 1.531 120.643 119.070 0.070 0.000 3.018 844 H HA 0.074 4.637 4.556 0.012 0.000 0.334 844 H C -0.824 174.540 175.328 0.060 0.000 0.983 844 H CA -0.151 55.948 56.048 0.084 0.000 1.363 844 H CB 1.021 30.846 29.762 0.105 0.000 1.668 844 H HN 0.749 nan 8.280 nan 0.000 0.513 845 Q N 3.382 122.926 119.800 -0.426 0.000 2.439 845 Q HA -0.245 4.102 4.340 0.012 0.000 0.325 845 Q C 0.951 176.891 176.000 -0.100 0.000 1.372 845 Q CA 1.246 56.878 55.803 -0.285 0.000 0.909 845 Q CB -1.659 26.854 28.738 -0.376 0.000 1.167 845 Q HN 1.182 nan 8.270 nan 0.000 0.418 846 G N -0.522 108.248 108.800 -0.050 0.000 2.284 846 G HA2 -0.348 3.620 3.960 0.012 0.000 0.230 846 G HA3 -0.348 3.620 3.960 0.012 0.000 0.230 846 G C 0.105 175.010 174.900 0.008 0.000 1.021 846 G CA 0.450 45.542 45.100 -0.014 0.000 0.619 846 G HN 0.422 nan 8.290 nan 0.000 0.510 847 K N 1.675 122.088 120.400 0.023 0.000 2.185 847 K HA 0.660 4.987 4.320 0.012 0.000 0.269 847 K C -0.220 176.398 176.600 0.030 0.000 0.987 847 K CA -0.055 56.250 56.287 0.030 0.000 0.865 847 K CB 1.138 33.666 32.500 0.047 0.000 1.090 847 K HN 0.006 nan 8.250 nan 0.000 0.450 848 T N 6.126 120.686 114.554 0.010 0.000 2.723 848 T HA 0.220 4.577 4.350 0.012 0.000 0.297 848 T C 1.008 175.655 174.700 -0.088 0.000 0.925 848 T CA -0.362 61.740 62.100 0.003 0.000 1.030 848 T CB 0.255 69.142 68.868 0.031 0.000 0.905 848 T HN 0.553 nan 8.240 nan 0.000 0.502 849 L N 2.571 123.663 121.223 -0.218 0.000 2.168 849 L HA 0.353 4.700 4.340 0.012 0.000 0.203 849 L C -0.054 176.331 176.870 -0.810 0.000 1.078 849 L CA 0.862 55.297 54.840 -0.674 0.000 0.780 849 L CB 0.073 41.324 42.059 -1.348 0.000 0.939 849 L HN 0.517 nan 8.230 nan 0.000 0.451 850 F N -1.059 118.844 119.950 -0.078 0.000 2.601 850 F HA 0.541 5.075 4.527 0.012 0.000 0.309 850 F C -0.530 175.359 175.800 0.147 0.000 1.089 850 F CA -0.817 57.062 58.000 -0.202 0.000 0.940 850 F CB 1.983 40.437 39.000 -0.909 0.000 1.273 850 F HN -0.330 nan 8.300 nan 0.000 0.450 851 I N 1.687 122.463 120.570 0.344 0.000 2.436 851 I HA 0.377 4.554 4.170 0.012 0.000 0.289 851 I C -0.691 175.685 176.117 0.431 0.000 1.010 851 I CA -0.575 60.959 61.300 0.391 0.000 1.098 851 I CB 2.150 40.295 38.000 0.242 0.000 1.266 851 I HN 0.526 nan 8.210 nan 0.000 0.434 852 S N 6.912 122.971 115.700 0.597 0.000 2.530 852 S HA 0.567 5.045 4.470 0.012 0.000 0.322 852 S C -0.642 174.197 174.600 0.398 0.000 1.085 852 S CA -0.676 57.843 58.200 0.532 0.000 1.096 852 S CB 0.612 64.241 63.200 0.715 0.000 0.988 852 S HN 0.551 nan 8.310 nan 0.000 0.466 853 R N 3.457 124.114 120.500 0.261 0.000 2.494 853 R HA 0.614 4.962 4.340 0.012 0.000 0.305 853 R C -0.721 175.653 176.300 0.124 0.000 0.959 853 R CA -0.807 55.403 56.100 0.183 0.000 0.864 853 R CB 1.871 32.253 30.300 0.136 0.000 1.159 853 R HN 0.566 nan 8.270 nan 0.000 0.446 854 K N 0.548 121.011 120.400 0.104 0.000 2.495 854 K HA 0.445 4.772 4.320 0.012 0.000 0.268 854 K C -0.982 175.603 176.600 -0.024 0.000 1.008 854 K CA -0.903 55.371 56.287 -0.022 0.000 0.882 854 K CB 2.586 35.042 32.500 -0.074 0.000 1.443 854 K HN 0.669 nan 8.250 nan 0.000 0.447 855 T N -1.468 113.000 114.554 -0.144 0.000 2.893 855 T HA 0.584 4.941 4.350 0.012 0.000 0.293 855 T C -1.322 173.256 174.700 -0.203 0.000 1.027 855 T CA -0.753 61.305 62.100 -0.070 0.000 0.988 855 T CB 0.569 69.418 68.868 -0.031 0.000 1.043 855 T HN 0.389 nan 8.240 nan 0.000 0.461 856 Y N 0.788 121.066 120.300 -0.038 0.000 2.326 856 Y HA 0.610 5.167 4.550 0.012 0.000 0.331 856 Y C 0.464 176.292 175.900 -0.121 0.000 0.962 856 Y CA -1.143 56.944 58.100 -0.022 0.000 1.167 856 Y CB 1.719 40.215 38.460 0.060 0.000 1.148 856 Y HN 0.647 nan 8.280 nan 0.000 0.463 857 R N 4.596 125.118 120.500 0.037 0.000 2.288 857 R HA 0.632 4.979 4.340 0.012 0.000 0.326 857 R C -1.563 174.674 176.300 -0.104 0.000 0.959 857 R CA -0.421 55.648 56.100 -0.051 0.000 0.834 857 R CB 0.500 30.779 30.300 -0.035 0.000 1.157 857 R HN 0.786 nan 8.270 nan 0.000 0.470 858 I N 4.998 125.442 120.570 -0.211 0.000 2.330 858 I HA 0.195 4.372 4.170 0.012 0.000 0.289 858 I C -0.220 175.754 176.117 -0.239 0.000 1.001 858 I CA -0.778 60.310 61.300 -0.353 0.000 1.193 858 I CB 1.466 39.037 38.000 -0.716 0.000 1.345 858 I HN 0.667 nan 8.210 nan 0.000 0.461 859 D N 4.161 124.466 120.400 -0.158 0.000 2.487 859 D HA 0.267 4.914 4.640 0.012 0.000 0.262 859 D C 1.315 177.584 176.300 -0.052 0.000 1.130 859 D CA -0.736 53.211 54.000 -0.089 0.000 1.038 859 D CB 0.906 41.675 40.800 -0.052 0.000 1.142 859 D HN 0.463 nan 8.370 nan 0.000 0.575 860 G N -1.401 107.376 108.800 -0.038 0.000 2.586 860 G HA2 -0.155 3.812 3.960 0.012 0.000 0.215 860 G HA3 -0.155 3.812 3.960 0.012 0.000 0.215 860 G C 1.048 175.947 174.900 -0.002 0.000 1.128 860 G CA 0.929 46.020 45.100 -0.015 0.000 0.774 860 G HN 0.526 nan 8.290 nan 0.000 0.543 861 S N -1.286 114.413 115.700 -0.002 0.000 2.575 861 S HA 0.397 4.874 4.470 0.012 0.000 0.215 861 S C 1.724 176.374 174.600 0.083 0.000 0.966 861 S CA 0.824 59.037 58.200 0.021 0.000 0.911 861 S CB 0.223 63.431 63.200 0.013 0.000 0.780 861 S HN 1.370 nan 8.310 nan 0.000 0.514 862 G N 0.797 109.665 108.800 0.112 0.000 2.157 862 G HA2 -0.207 3.761 3.960 0.012 0.000 0.239 862 G HA3 -0.207 3.761 3.960 0.012 0.000 0.239 862 G C -0.203 174.837 174.900 0.234 0.000 0.982 862 G CA -0.138 45.112 45.100 0.249 0.000 0.650 862 G HN 0.570 nan 8.290 nan 0.000 0.527 863 Q N -0.391 119.476 119.800 0.113 0.000 2.230 863 Q HA 0.635 4.983 4.340 0.012 0.000 0.248 863 Q C 0.080 176.109 176.000 0.049 0.000 0.915 863 Q CA -0.286 55.592 55.803 0.125 0.000 0.900 863 Q CB 1.730 30.526 28.738 0.098 0.000 1.229 863 Q HN 0.450 nan 8.270 nan 0.000 0.439 864 M N 1.682 121.357 119.600 0.125 0.000 2.125 864 M HA 0.495 4.983 4.480 0.012 0.000 0.321 864 M C -1.497 174.904 176.300 0.168 0.000 0.983 864 M CA -0.479 54.861 55.300 0.067 0.000 0.934 864 M CB 1.235 33.896 32.600 0.103 0.000 1.542 864 M HN 0.695 nan 8.290 nan 0.000 0.424 865 A N 6.913 129.793 122.820 0.101 0.000 2.260 865 A HA 0.695 5.023 4.320 0.012 0.000 0.308 865 A C -0.817 176.806 177.584 0.064 0.000 1.254 865 A CA -0.609 51.487 52.037 0.100 0.000 0.874 865 A CB 0.167 19.203 19.000 0.060 0.000 1.153 865 A HN 0.917 nan 8.150 nan 0.000 0.527 866 I N 2.541 123.139 120.570 0.047 0.000 2.362 866 I HA 0.302 4.479 4.170 0.012 0.000 0.289 866 I C -0.200 175.810 176.117 -0.179 0.000 0.994 866 I CA -0.199 61.025 61.300 -0.126 0.000 1.158 866 I CB 2.035 39.984 38.000 -0.086 0.000 1.315 866 I HN 0.483 nan 8.210 nan 0.000 0.451 867 T N 5.882 120.297 114.554 -0.231 0.000 2.779 867 T HA 0.531 4.888 4.350 0.012 0.000 0.280 867 T C -0.235 174.275 174.700 -0.317 0.000 0.987 867 T CA -0.434 61.532 62.100 -0.224 0.000 0.966 867 T CB 1.784 70.615 68.868 -0.061 0.000 0.933 867 T HN 0.198 nan 8.240 nan 0.000 0.442 868 V N 3.821 123.418 119.914 -0.529 0.000 2.540 868 V HA 0.500 4.627 4.120 0.012 0.000 0.302 868 V C -0.661 175.271 176.094 -0.270 0.000 1.035 868 V CA -0.896 61.125 62.300 -0.466 0.000 0.873 868 V CB 2.055 33.301 31.823 -0.961 0.000 0.992 868 V HN 0.845 nan 8.190 nan 0.000 0.428 869 D N 3.269 123.670 120.400 0.002 0.000 2.549 869 D HA 0.521 5.168 4.640 0.012 0.000 0.251 869 D C -1.067 175.355 176.300 0.203 0.000 1.153 869 D CA -0.087 54.007 54.000 0.157 0.000 0.861 869 D CB 2.718 43.631 40.800 0.189 0.000 1.207 869 D HN 0.250 nan 8.370 nan 0.000 0.543 870 V N 2.206 122.278 119.914 0.263 0.000 2.715 870 V HA 0.331 4.458 4.120 0.012 0.000 0.310 870 V C 0.002 176.242 176.094 0.244 0.000 1.054 870 V CA -0.725 61.745 62.300 0.284 0.000 0.928 870 V CB 2.530 34.565 31.823 0.353 0.000 1.007 870 V HN 0.359 nan 8.190 nan 0.000 0.437 871 E N 2.313 122.642 120.200 0.214 0.000 2.171 871 E HA 0.638 4.995 4.350 0.012 0.000 0.271 871 E C -1.556 175.154 176.600 0.184 0.000 0.916 871 E CA -0.602 55.903 56.400 0.175 0.000 0.774 871 E CB 2.599 32.383 29.700 0.139 0.000 1.128 871 E HN 0.383 nan 8.360 nan 0.000 0.403 872 V N 2.137 122.166 119.914 0.191 0.000 2.444 872 V HA 0.366 4.493 4.120 0.012 0.000 0.294 872 V C 0.061 176.237 176.094 0.138 0.000 1.022 872 V CA -0.924 61.504 62.300 0.212 0.000 0.850 872 V CB 1.537 33.527 31.823 0.279 0.000 0.992 872 V HN 0.856 nan 8.190 nan 0.000 0.426 873 A N 3.587 126.437 122.820 0.050 0.000 2.566 873 A HA 0.222 4.549 4.320 0.012 0.000 0.245 873 A C 1.625 179.270 177.584 0.101 0.000 1.056 873 A CA 0.681 52.744 52.037 0.043 0.000 0.757 873 A CB 0.183 19.172 19.000 -0.018 0.000 0.979 873 A HN 1.378 nan 8.150 nan 0.000 0.508 874 S N 1.314 117.074 115.700 0.101 0.000 2.442 874 S HA -0.161 4.316 4.470 0.012 0.000 0.236 874 S C 0.941 175.616 174.600 0.125 0.000 1.007 874 S CA 1.293 59.575 58.200 0.137 0.000 0.965 874 S CB -0.273 62.989 63.200 0.104 0.000 0.773 874 S HN 0.841 nan 8.310 nan 0.000 0.504 875 D N 0.275 120.722 120.400 0.078 0.000 2.339 875 D HA 0.121 4.768 4.640 0.012 0.000 0.217 875 D C 0.566 176.892 176.300 0.044 0.000 1.050 875 D CA 0.088 54.116 54.000 0.047 0.000 0.856 875 D CB -0.463 40.355 40.800 0.029 0.000 0.922 875 D HN 0.307 nan 8.370 nan 0.000 0.518 876 T N 1.436 116.039 114.554 0.082 0.000 2.922 876 T HA 0.384 4.742 4.350 0.012 0.000 0.285 876 T C -2.569 172.231 174.700 0.167 0.000 1.005 876 T CA -1.892 60.284 62.100 0.127 0.000 1.061 876 T CB 1.166 70.121 68.868 0.144 0.000 1.007 876 T HN -0.139 nan 8.240 nan 0.000 0.502 877 P HA 0.100 nan 4.420 nan 0.000 0.266 877 P C -0.576 177.040 177.300 0.526 0.000 1.195 877 P CA 0.059 63.266 63.100 0.177 0.000 0.768 877 P CB -0.007 31.794 31.700 0.168 0.000 0.838 878 H N 3.288 122.743 119.070 0.641 0.000 3.001 878 H HA 0.064 4.627 4.556 0.012 0.000 0.334 878 H C -1.571 174.117 175.328 0.600 0.000 1.034 878 H CA -1.135 55.232 56.048 0.531 0.000 1.420 878 H CB -0.419 29.596 29.762 0.422 0.000 1.405 878 H HN 0.382 nan 8.280 nan 0.000 0.593 879 P HA 0.046 nan 4.420 nan 0.000 0.279 879 P C 0.048 177.250 177.300 -0.163 0.000 1.252 879 P CA -0.377 62.796 63.100 0.122 0.000 0.811 879 P CB 1.228 32.853 31.700 -0.125 0.000 1.035 880 A N 2.927 125.356 122.820 -0.651 0.000 2.019 880 A HA -0.100 4.227 4.320 0.012 0.000 0.219 880 A C 1.014 178.198 177.584 -0.665 0.000 1.164 880 A CA 1.339 52.958 52.037 -0.697 0.000 0.644 880 A CB -0.567 17.793 19.000 -1.066 0.000 0.805 880 A HN 0.749 nan 8.150 nan 0.000 0.449 881 R N -2.939 117.218 120.500 -0.572 0.000 2.712 881 R HA 0.725 5.072 4.340 0.012 0.000 0.272 881 R C -1.633 174.427 176.300 -0.399 0.000 1.032 881 R CA -0.782 55.008 56.100 -0.517 0.000 0.874 881 R CB 0.786 30.751 30.300 -0.558 0.000 1.256 881 R HN -0.013 nan 8.270 nan 0.000 0.468 882 I N 1.201 121.575 120.570 -0.326 0.000 2.493 882 I HA 0.668 4.846 4.170 0.012 0.000 0.279 882 I C -0.422 175.465 176.117 -0.384 0.000 1.045 882 I CA -0.336 60.798 61.300 -0.277 0.000 1.106 882 I CB 1.861 39.778 38.000 -0.138 0.000 1.216 882 I HN 0.961 nan 8.210 nan 0.000 0.459 883 G N 5.945 114.448 108.800 -0.495 0.000 2.634 883 G HA2 0.728 4.695 3.960 0.012 0.000 0.309 883 G HA3 0.728 4.695 3.960 0.012 0.000 0.309 883 G C -1.724 172.999 174.900 -0.295 0.000 1.299 883 G CA -0.591 44.258 45.100 -0.419 0.000 0.798 883 G HN 0.275 nan 8.290 nan 0.000 0.490 884 L N 0.789 121.897 121.223 -0.192 0.000 2.333 884 L HA 0.654 5.001 4.340 0.012 0.000 0.263 884 L C -0.703 176.064 176.870 -0.172 0.000 1.014 884 L CA -1.169 53.591 54.840 -0.133 0.000 0.820 884 L CB 2.450 44.516 42.059 0.011 0.000 1.352 884 L HN 0.801 nan 8.230 nan 0.000 0.421 885 N N 0.635 119.262 118.700 -0.123 0.000 2.610 885 N HA 0.709 5.456 4.740 0.012 0.000 0.264 885 N C -1.230 174.284 175.510 0.007 0.000 1.348 885 N CA -0.577 52.435 53.050 -0.064 0.000 0.819 885 N CB 2.311 40.777 38.487 -0.036 0.000 1.521 885 N HN 0.848 nan 8.380 nan 0.000 0.497 886 C N -1.355 117.968 119.300 0.038 0.000 3.307 886 C HA 0.580 5.047 4.460 0.012 0.000 0.333 886 C C -1.202 173.615 174.990 -0.288 0.000 1.291 886 C CA -0.845 58.145 59.018 -0.047 0.000 1.273 886 C CB 0.939 28.680 27.740 0.002 0.000 1.580 886 C HN 0.866 nan 8.230 nan 0.000 0.481 887 Q N 1.503 120.886 119.800 -0.695 0.000 2.340 887 Q HA 0.654 5.001 4.340 0.012 0.000 0.259 887 Q C -0.957 174.736 176.000 -0.510 0.000 0.964 887 Q CA -0.444 54.701 55.803 -1.096 0.000 0.900 887 Q CB 0.906 28.610 28.738 -1.723 0.000 1.228 887 Q HN 0.774 nan 8.270 nan 0.000 0.449 888 L N 2.609 123.639 121.223 -0.321 0.000 2.417 888 L HA 0.220 4.567 4.340 0.012 0.000 0.268 888 L C 1.176 177.973 176.870 -0.122 0.000 1.158 888 L CA -0.120 54.650 54.840 -0.117 0.000 0.819 888 L CB 0.799 42.892 42.059 0.056 0.000 1.112 888 L HN 0.834 nan 8.230 nan 0.000 0.458 889 A N 2.029 124.804 122.820 -0.075 0.000 2.014 889 A HA -0.097 4.231 4.320 0.012 0.000 0.218 889 A C 1.083 178.651 177.584 -0.027 0.000 1.163 889 A CA 0.545 52.534 52.037 -0.079 0.000 0.652 889 A CB -0.262 18.684 19.000 -0.090 0.000 0.808 889 A HN 0.794 nan 8.150 nan 0.000 0.449 890 Q N -0.186 119.635 119.800 0.035 0.000 2.340 890 Q HA 0.444 4.791 4.340 0.012 0.000 0.249 890 Q C -1.184 174.854 176.000 0.062 0.000 0.957 890 Q CA 0.101 55.920 55.803 0.027 0.000 0.882 890 Q CB 0.992 29.768 28.738 0.063 0.000 1.235 890 Q HN 0.105 nan 8.270 nan 0.000 0.439 891 V N 3.203 123.117 119.914 -0.000 0.000 2.409 891 V HA 0.774 4.901 4.120 0.012 0.000 0.290 891 V C -0.717 175.342 176.094 -0.058 0.000 1.017 891 V CA -0.263 62.067 62.300 0.050 0.000 0.841 891 V CB 1.029 32.867 31.823 0.024 0.000 1.003 891 V HN 0.913 nan 8.190 nan 0.000 0.426 892 A N 3.208 125.940 122.820 -0.145 0.000 2.354 892 A HA 0.734 5.062 4.320 0.012 0.000 0.321 892 A C 0.672 178.258 177.584 0.003 0.000 1.125 892 A CA -0.488 51.410 52.037 -0.232 0.000 0.799 892 A CB 1.289 19.898 19.000 -0.651 0.000 1.293 892 A HN 0.806 nan 8.150 nan 0.000 0.452 893 E N 0.067 120.265 120.200 -0.004 0.000 2.106 893 E HA -0.076 4.281 4.350 0.012 0.000 0.192 893 E C 0.214 176.884 176.600 0.116 0.000 0.984 893 E CA 0.895 57.328 56.400 0.054 0.000 0.806 893 E CB 0.111 29.825 29.700 0.024 0.000 0.750 893 E HN 0.467 nan 8.360 nan 0.000 0.458 894 R N 0.004 120.583 120.500 0.132 0.000 2.888 894 R HA 0.536 4.883 4.340 0.012 0.000 0.266 894 R C -0.863 175.621 176.300 0.308 0.000 1.020 894 R CA -0.833 55.379 56.100 0.187 0.000 0.963 894 R CB 1.749 32.130 30.300 0.135 0.000 1.197 894 R HN -0.174 nan 8.270 nan 0.000 0.481 895 V N 1.733 121.840 119.914 0.321 0.000 2.531 895 V HA 0.384 4.511 4.120 0.012 0.000 0.301 895 V C -0.364 176.002 176.094 0.453 0.000 1.034 895 V CA -0.935 61.594 62.300 0.383 0.000 0.865 895 V CB 1.912 33.901 31.823 0.278 0.000 0.995 895 V HN 0.688 nan 8.190 nan 0.000 0.424 896 N N 4.429 123.373 118.700 0.407 0.000 2.346 896 N HA 0.510 5.257 4.740 0.012 0.000 0.289 896 N C -1.364 174.397 175.510 0.419 0.000 1.027 896 N CA -0.469 52.788 53.050 0.344 0.000 0.864 896 N CB 2.610 41.197 38.487 0.166 0.000 1.370 896 N HN 0.821 nan 8.380 nan 0.000 0.481 897 W N 3.188 124.530 121.300 0.069 0.000 3.083 897 W HA 0.625 5.292 4.660 0.012 0.000 0.333 897 W C -1.950 174.536 176.519 -0.055 0.000 1.217 897 W CA -1.161 56.199 57.345 0.024 0.000 1.170 897 W CB 0.814 30.316 29.460 0.070 0.000 1.437 897 W HN 0.231 nan 8.180 nan 0.000 0.557 898 L N 3.977 125.156 121.223 -0.072 0.000 2.295 898 L HA 0.914 5.262 4.340 0.012 0.000 0.281 898 L C 0.001 176.631 176.870 -0.399 0.000 1.018 898 L CA 0.284 54.897 54.840 -0.379 0.000 0.841 898 L CB 0.667 42.624 42.059 -0.170 0.000 1.218 898 L HN 0.988 nan 8.230 nan 0.000 0.424 899 G N 3.737 112.107 108.800 -0.716 0.000 2.325 899 G HA2 0.206 4.173 3.960 0.012 0.000 0.295 899 G HA3 0.206 4.173 3.960 0.012 0.000 0.295 899 G C -1.653 173.193 174.900 -0.091 0.000 1.274 899 G CA -1.058 43.839 45.100 -0.337 0.000 0.857 899 G HN 0.466 nan 8.290 nan 0.000 0.499 900 L N 0.807 122.152 121.223 0.204 0.000 2.397 900 L HA 0.611 4.958 4.340 0.012 0.000 0.271 900 L C 1.127 178.089 176.870 0.152 0.000 1.148 900 L CA 0.858 55.809 54.840 0.186 0.000 0.825 900 L CB 0.764 42.893 42.059 0.117 0.000 1.117 900 L HN 1.232 nan 8.230 nan 0.000 0.456 901 G N 2.322 110.996 108.800 -0.210 0.000 2.341 901 G HA2 0.227 4.194 3.960 0.012 0.000 0.299 901 G HA3 0.227 4.194 3.960 0.012 0.000 0.299 901 G C -2.775 171.315 174.900 -1.350 0.000 1.274 901 G CA -0.268 44.371 45.100 -0.768 0.000 0.853 901 G HN 0.324 nan 8.290 nan 0.000 0.493 902 P HA 0.119 nan 4.420 nan 0.000 0.245 902 P C 0.371 177.475 177.300 -0.326 0.000 1.203 902 P CA 0.497 62.915 63.100 -1.137 0.000 0.792 902 P CB 0.567 31.715 31.700 -0.920 0.000 0.997 903 Q N 0.553 120.153 119.800 -0.334 0.000 2.256 903 Q HA 0.169 4.516 4.340 0.012 0.000 0.232 903 Q C 0.338 176.221 176.000 -0.195 0.000 0.965 903 Q CA -0.657 55.024 55.803 -0.202 0.000 0.908 903 Q CB 0.877 29.513 28.738 -0.169 0.000 1.209 903 Q HN 0.122 nan 8.270 nan 0.000 0.489 904 E N 1.423 121.513 120.200 -0.183 0.000 2.568 904 E HA -0.134 4.224 4.350 0.012 0.000 0.262 904 E C -1.123 175.391 176.600 -0.143 0.000 0.961 904 E CA 0.384 56.664 56.400 -0.199 0.000 0.945 904 E CB 0.242 29.886 29.700 -0.094 0.000 0.924 904 E HN 0.615 nan 8.360 nan 0.000 0.467 905 N N 2.618 121.164 118.700 -0.258 0.000 2.367 905 N HA 0.329 5.077 4.740 0.012 0.000 0.278 905 N C -1.847 173.438 175.510 -0.375 0.000 1.117 905 N CA -0.694 52.253 53.050 -0.172 0.000 0.867 905 N CB 0.765 39.171 38.487 -0.135 0.000 1.649 905 N HN 0.231 nan 8.380 nan 0.000 0.479 906 Y N 0.130 120.341 120.300 -0.149 0.000 2.633 906 Y HA 0.512 5.069 4.550 0.012 0.000 0.339 906 Y C -1.678 174.149 175.900 -0.122 0.000 1.045 906 Y CA -2.109 55.893 58.100 -0.164 0.000 1.098 906 Y CB 1.881 40.244 38.460 -0.163 0.000 1.296 906 Y HN 0.442 nan 8.280 nan 0.000 0.494 907 P HA -0.153 nan 4.420 nan 0.000 0.216 907 P C 0.348 177.497 177.300 -0.253 0.000 1.150 907 P CA 2.043 65.168 63.100 0.042 0.000 0.837 907 P CB 0.222 32.066 31.700 0.240 0.000 0.786 908 D N -2.312 117.728 120.400 -0.601 0.000 2.340 908 D HA 0.008 4.655 4.640 0.012 0.000 0.217 908 D C 0.747 176.891 176.300 -0.260 0.000 1.081 908 D CA 0.097 53.539 54.000 -0.930 0.000 0.842 908 D CB -0.251 39.802 40.800 -1.245 0.000 0.934 908 D HN 0.111 nan 8.370 nan 0.000 0.511 909 R N 1.059 121.507 120.500 -0.088 0.000 2.638 909 R HA 0.194 4.541 4.340 0.012 0.000 0.261 909 R C -0.561 175.770 176.300 0.051 0.000 1.515 909 R CA -0.152 55.965 56.100 0.027 0.000 1.623 909 R CB 0.091 30.416 30.300 0.041 0.000 1.347 909 R HN 0.093 nan 8.270 nan 0.000 0.705 910 L N -1.970 119.291 121.223 0.062 0.000 3.410 910 L HA 0.329 4.676 4.340 0.012 0.000 0.309 910 L C 1.339 178.265 176.870 0.092 0.000 1.254 910 L CA 0.079 54.953 54.840 0.058 0.000 1.048 910 L CB 0.051 42.133 42.059 0.038 0.000 1.442 910 L HN 0.061 nan 8.230 nan 0.000 0.615 911 T N -2.482 112.156 114.554 0.140 0.000 2.833 911 T HA -0.044 4.313 4.350 0.012 0.000 0.269 911 T C 1.754 176.502 174.700 0.081 0.000 1.054 911 T CA 1.391 63.600 62.100 0.181 0.000 1.135 911 T CB -0.353 68.678 68.868 0.273 0.000 0.869 911 T HN 0.407 nan 8.240 nan 0.000 0.466 912 A N 1.435 124.304 122.820 0.081 0.000 2.119 912 A HA 0.656 4.983 4.320 0.012 0.000 0.216 912 A C 1.569 179.211 177.584 0.096 0.000 1.152 912 A CA 0.469 52.494 52.037 -0.020 0.000 0.708 912 A CB -0.864 18.272 19.000 0.226 0.000 0.805 912 A HN 0.843 nan 8.150 nan 0.000 0.460 913 A N -1.111 121.724 122.820 0.025 0.000 2.351 913 A HA 0.476 4.804 4.320 0.012 0.000 0.257 913 A C -0.012 177.585 177.584 0.022 0.000 1.087 913 A CA -0.115 51.901 52.037 -0.034 0.000 0.798 913 A CB -0.012 18.960 19.000 -0.046 0.000 1.033 913 A HN 0.470 nan 8.150 nan 0.000 0.488 914 C N 0.300 119.614 119.300 0.023 0.000 2.561 914 C HA 0.550 5.017 4.460 0.012 0.000 0.319 914 C C -0.178 174.909 174.990 0.161 0.000 1.198 914 C CA -0.520 58.555 59.018 0.095 0.000 1.665 914 C CB 0.828 28.629 27.740 0.101 0.000 2.258 914 C HN 0.791 nan 8.230 nan 0.000 0.493 915 F N 3.553 123.357 119.950 -0.243 0.000 2.445 915 F HA 0.489 5.024 4.527 0.012 0.000 0.359 915 F C 0.298 175.739 175.800 -0.598 0.000 1.101 915 F CA 1.122 58.869 58.000 -0.422 0.000 1.177 915 F CB -0.012 38.377 39.000 -1.019 0.000 1.110 915 F HN 0.640 nan 8.300 nan 0.000 0.522 916 D N 3.456 123.287 120.400 -0.950 0.000 2.970 916 D HA 0.204 4.851 4.640 0.012 0.000 0.344 916 D C -1.603 173.832 176.300 -1.442 0.000 1.365 916 D CA -0.724 52.582 54.000 -1.157 0.000 0.910 916 D CB 1.501 41.471 40.800 -1.383 0.000 1.445 916 D HN 0.491 nan 8.370 nan 0.000 0.532 917 R N 0.698 120.444 120.500 -1.258 0.000 2.198 917 R HA 0.496 4.843 4.340 0.012 0.000 0.339 917 R C -1.310 174.282 176.300 -1.180 0.000 1.020 917 R CA -0.269 55.243 56.100 -0.980 0.000 0.864 917 R CB 0.175 30.153 30.300 -0.536 0.000 1.105 917 R HN 0.264 nan 8.270 nan 0.000 0.463 918 W N 2.841 123.651 121.300 -0.817 0.000 2.627 918 W HA 0.423 5.090 4.660 0.012 0.000 0.339 918 W C -0.403 175.786 176.519 -0.550 0.000 1.058 918 W CA -0.677 56.116 57.345 -0.920 0.000 1.223 918 W CB 1.616 29.968 29.460 -1.846 0.000 1.389 918 W HN 0.366 nan 8.180 nan 0.000 0.541 919 D N 2.858 123.238 120.400 -0.033 0.000 2.470 919 D HA 0.388 5.035 4.640 0.012 0.000 0.233 919 D C -1.555 174.848 176.300 0.172 0.000 1.372 919 D CA -0.151 53.916 54.000 0.110 0.000 0.994 919 D CB 0.928 41.744 40.800 0.026 0.000 1.377 919 D HN 0.367 nan 8.370 nan 0.000 0.586 920 L N 3.154 124.551 121.223 0.290 0.000 2.350 920 L HA 0.573 4.920 4.340 0.012 0.000 0.260 920 L C -2.268 174.720 176.870 0.196 0.000 1.015 920 L CA -2.151 52.828 54.840 0.232 0.000 0.821 920 L CB 2.707 44.950 42.059 0.307 0.000 1.370 920 L HN 0.161 nan 8.230 nan 0.000 0.416 921 P HA 0.017 nan 4.420 nan 0.000 0.271 921 P C 0.572 177.947 177.300 0.124 0.000 1.218 921 P CA -0.363 62.807 63.100 0.116 0.000 0.780 921 P CB 0.914 32.662 31.700 0.080 0.000 0.901 922 L N 3.532 124.834 121.223 0.131 0.000 2.051 922 L HA -0.274 4.073 4.340 0.012 0.000 0.214 922 L C 2.251 179.165 176.870 0.073 0.000 1.076 922 L CA 2.831 57.739 54.840 0.114 0.000 0.758 922 L CB -1.606 40.538 42.059 0.143 0.000 0.890 922 L HN 0.464 nan 8.230 nan 0.000 0.433 923 S N -1.839 113.907 115.700 0.076 0.000 2.419 923 S HA -0.180 4.298 4.470 0.012 0.000 0.235 923 S C 1.587 176.248 174.600 0.100 0.000 1.019 923 S CA 1.165 59.422 58.200 0.095 0.000 0.982 923 S CB -0.789 62.462 63.200 0.086 0.000 0.789 923 S HN 0.546 nan 8.310 nan 0.000 0.490 924 D N 1.053 121.493 120.400 0.066 0.000 2.363 924 D HA 0.112 4.759 4.640 0.012 0.000 0.220 924 D C 1.226 177.522 176.300 -0.007 0.000 0.994 924 D CA 0.568 54.586 54.000 0.029 0.000 0.890 924 D CB -0.123 40.702 40.800 0.042 0.000 0.906 924 D HN 0.386 nan 8.370 nan 0.000 0.530 925 M N -0.406 119.197 119.600 0.005 0.000 2.561 925 M HA 0.055 4.543 4.480 0.012 0.000 0.238 925 M C -0.042 176.244 176.300 -0.023 0.000 1.131 925 M CA 0.000 55.254 55.300 -0.077 0.000 1.046 925 M CB -0.730 31.815 32.600 -0.091 0.000 1.532 925 M HN -0.050 nan 8.290 nan 0.000 0.497 926 Y N -0.016 120.231 120.300 -0.087 0.000 2.409 926 Y HA 0.504 5.062 4.550 0.012 0.000 0.343 926 Y C -0.797 175.043 175.900 -0.100 0.000 0.973 926 Y CA -1.062 57.007 58.100 -0.051 0.000 1.064 926 Y CB 1.323 39.817 38.460 0.057 0.000 1.207 926 Y HN -0.144 nan 8.280 nan 0.000 0.452 927 T N 9.014 123.129 114.554 -0.732 0.000 2.756 927 T HA 0.302 4.659 4.350 0.012 0.000 0.290 927 T C -2.728 171.205 174.700 -1.278 0.000 0.985 927 T CA -1.492 60.073 62.100 -0.891 0.000 0.955 927 T CB 1.109 69.501 68.868 -0.794 0.000 0.930 927 T HN 0.450 nan 8.240 nan 0.000 0.451 928 P HA 0.163 nan 4.420 nan 0.000 0.220 928 P C -0.663 176.476 177.300 -0.269 0.000 1.806 928 P CA -0.474 62.154 63.100 -0.785 0.000 0.976 928 P CB -0.668 30.722 31.700 -0.517 0.000 1.952 929 Y N -0.095 120.128 120.300 -0.129 0.000 2.712 929 Y HA -0.101 4.456 4.550 0.012 0.000 0.333 929 Y C 2.281 178.216 175.900 0.058 0.000 1.225 929 Y CA -0.496 57.594 58.100 -0.016 0.000 1.499 929 Y CB 0.599 38.977 38.460 -0.137 0.000 1.288 929 Y HN -0.061 nan 8.280 nan 0.000 0.575 930 V N 3.616 123.739 119.914 0.349 0.000 2.324 930 V HA -0.318 3.809 4.120 0.012 0.000 0.250 930 V C 0.560 176.807 176.094 0.254 0.000 1.060 930 V CA 1.481 63.962 62.300 0.302 0.000 1.042 930 V CB -0.549 31.491 31.823 0.362 0.000 0.650 930 V HN 0.579 nan 8.190 nan 0.000 0.450 931 F N 3.172 123.145 119.950 0.038 0.000 2.350 931 F HA 0.497 5.031 4.527 0.012 0.000 0.365 931 F C -2.435 173.347 175.800 -0.030 0.000 1.122 931 F CA -3.534 54.428 58.000 -0.063 0.000 1.139 931 F CB 0.623 39.466 39.000 -0.261 0.000 1.220 931 F HN 0.006 nan 8.300 nan 0.000 0.499 932 P HA 0.223 nan 4.420 nan 0.000 0.268 932 P C -1.000 175.972 177.300 -0.547 0.000 1.205 932 P CA 0.144 62.975 63.100 -0.448 0.000 0.771 932 P CB 1.138 32.603 31.700 -0.392 0.000 0.858 933 S N 0.195 115.773 115.700 -0.203 0.000 2.703 933 S HA 0.454 4.931 4.470 0.012 0.000 0.273 933 S C -0.774 173.808 174.600 -0.029 0.000 1.178 933 S CA -0.963 57.161 58.200 -0.127 0.000 0.838 933 S CB 0.440 63.594 63.200 -0.076 0.000 1.178 933 S HN 0.326 nan 8.310 nan 0.000 0.494 934 E N 1.174 121.369 120.200 -0.008 0.000 2.568 934 E HA 0.322 4.679 4.350 0.012 0.000 0.262 934 E C -0.190 176.455 176.600 0.076 0.000 0.961 934 E CA 0.976 57.400 56.400 0.040 0.000 0.945 934 E CB -0.290 29.459 29.700 0.081 0.000 0.924 934 E HN 0.806 nan 8.360 nan 0.000 0.467 935 N N 1.402 120.185 118.700 0.138 0.000 3.046 935 N HA 0.484 5.231 4.740 0.012 0.000 0.243 935 N C 0.168 175.736 175.510 0.097 0.000 1.452 935 N CA -0.551 52.620 53.050 0.202 0.000 0.882 935 N CB 0.913 39.522 38.487 0.204 0.000 1.425 935 N HN 0.725 nan 8.380 nan 0.000 0.517 936 G N -1.257 107.558 108.800 0.025 0.000 2.184 936 G HA2 -0.266 3.701 3.960 0.012 0.000 0.264 936 G HA3 -0.266 3.701 3.960 0.012 0.000 0.264 936 G C -0.205 174.433 174.900 -0.437 0.000 0.975 936 G CA 0.390 45.380 45.100 -0.183 0.000 0.642 936 G HN 0.696 nan 8.290 nan 0.000 0.536 937 L N 0.135 121.030 121.223 -0.547 0.000 2.506 937 L HA 0.631 4.978 4.340 0.012 0.000 0.281 937 L C 0.667 176.946 176.870 -0.985 0.000 1.228 937 L CA 0.479 54.745 54.840 -0.957 0.000 0.850 937 L CB 0.519 41.662 42.059 -1.527 0.000 1.110 937 L HN 0.257 nan 8.230 nan 0.000 0.496 938 R N 2.406 122.244 120.500 -1.104 0.000 2.513 938 R HA 0.506 4.853 4.340 0.012 0.000 0.301 938 R C -0.967 174.977 176.300 -0.594 0.000 0.968 938 R CA -0.290 55.293 56.100 -0.861 0.000 0.872 938 R CB 1.409 31.060 30.300 -1.082 0.000 1.177 938 R HN 0.681 nan 8.270 nan 0.000 0.444 939 C N 0.147 119.248 119.300 -0.331 0.000 2.380 939 C HA 0.740 5.208 4.460 0.012 0.000 0.393 939 C C 1.343 176.315 174.990 -0.031 0.000 1.284 939 C CA 0.052 58.958 59.018 -0.185 0.000 2.033 939 C CB 1.343 29.000 27.740 -0.138 0.000 2.165 939 C HN 1.019 nan 8.230 nan 0.000 0.540 940 G N 1.495 110.291 108.800 -0.007 0.000 2.283 940 G HA2 -0.193 3.774 3.960 0.012 0.000 0.280 940 G HA3 -0.193 3.774 3.960 0.012 0.000 0.280 940 G C -0.026 174.946 174.900 0.120 0.000 1.029 940 G CA 0.610 45.769 45.100 0.099 0.000 0.840 940 G HN 0.794 nan 8.290 nan 0.000 0.505 941 T N 0.018 114.501 114.554 -0.118 0.000 2.806 941 T HA 0.507 4.865 4.350 0.012 0.000 0.290 941 T C 1.363 175.728 174.700 -0.558 0.000 0.966 941 T CA -0.510 61.441 62.100 -0.249 0.000 1.060 941 T CB 1.294 70.047 68.868 -0.192 0.000 0.927 941 T HN 0.194 nan 8.240 nan 0.000 0.485 942 R N 1.566 121.985 120.500 -0.135 0.000 2.254 942 R HA 0.292 4.639 4.340 0.012 0.000 0.193 942 R C 0.545 176.893 176.300 0.079 0.000 0.929 942 R CA 0.269 56.373 56.100 0.006 0.000 1.038 942 R CB 0.356 30.799 30.300 0.239 0.000 1.009 942 R HN 0.685 nan 8.270 nan 0.000 0.512 943 E N 0.474 120.727 120.200 0.088 0.000 2.321 943 E HA 0.306 4.663 4.350 0.012 0.000 0.281 943 E C -1.826 174.930 176.600 0.260 0.000 0.910 943 E CA -0.656 55.879 56.400 0.225 0.000 0.770 943 E CB 1.524 31.320 29.700 0.159 0.000 1.225 943 E HN -0.109 nan 8.360 nan 0.000 0.417 944 L N 4.130 125.574 121.223 0.369 0.000 2.385 944 L HA 0.578 4.925 4.340 0.012 0.000 0.273 944 L C -1.739 175.326 176.870 0.325 0.000 0.990 944 L CA -0.449 54.532 54.840 0.236 0.000 0.821 944 L CB 1.679 43.730 42.059 -0.012 0.000 1.279 944 L HN 0.462 nan 8.230 nan 0.000 0.412 945 N N 4.688 123.549 118.700 0.268 0.000 2.372 945 N HA 0.359 5.106 4.740 0.012 0.000 0.285 945 N C -1.930 173.801 175.510 0.368 0.000 1.008 945 N CA -0.243 52.958 53.050 0.251 0.000 0.880 945 N CB 2.045 40.624 38.487 0.154 0.000 1.239 945 N HN 0.581 nan 8.380 nan 0.000 0.484 946 Y N 1.407 121.841 120.300 0.223 0.000 2.301 946 Y HA 0.395 4.952 4.550 0.012 0.000 0.325 946 Y C 0.644 176.655 175.900 0.186 0.000 1.103 946 Y CA 0.075 58.315 58.100 0.232 0.000 1.182 946 Y CB 0.517 39.177 38.460 0.334 0.000 1.139 946 Y HN 0.865 nan 8.280 nan 0.000 0.443 947 G N 6.553 115.197 108.800 -0.261 0.000 2.583 947 G HA2 -0.294 3.674 3.960 0.012 0.000 0.292 947 G HA3 -0.294 3.674 3.960 0.012 0.000 0.292 947 G C -1.736 173.047 174.900 -0.195 0.000 1.203 947 G CA 0.061 44.996 45.100 -0.274 0.000 0.987 947 G HN 0.544 nan 8.290 nan 0.000 0.554 948 P HA 0.111 nan 4.420 nan 0.000 0.245 948 P C 0.220 177.253 177.300 -0.445 0.000 1.212 948 P CA 0.815 63.698 63.100 -0.361 0.000 0.774 948 P CB -0.060 31.373 31.700 -0.444 0.000 0.999 949 H N 0.337 119.321 119.070 -0.143 0.000 2.481 949 H HA 0.430 4.993 4.556 0.012 0.000 0.339 949 H C -0.067 174.971 175.328 -0.484 0.000 1.131 949 H CA -0.142 55.674 56.048 -0.387 0.000 1.301 949 H CB 1.569 30.802 29.762 -0.882 0.000 1.476 949 H HN 0.085 nan 8.280 nan 0.000 0.529 950 Q N 2.553 122.088 119.800 -0.441 0.000 2.304 950 Q HA 0.237 4.585 4.340 0.012 0.000 0.270 950 Q C -1.571 174.165 176.000 -0.439 0.000 1.035 950 Q CA -0.718 54.921 55.803 -0.274 0.000 0.781 950 Q CB 1.916 30.622 28.738 -0.053 0.000 1.261 950 Q HN 0.576 nan 8.270 nan 0.000 0.444 951 W N 3.978 125.229 121.300 -0.081 0.000 2.632 951 W HA 0.567 5.234 4.660 0.012 0.000 0.328 951 W C -0.255 176.337 176.519 0.122 0.000 1.044 951 W CA -0.773 56.488 57.345 -0.141 0.000 1.225 951 W CB 1.918 31.083 29.460 -0.492 0.000 1.396 951 W HN 0.520 nan 8.180 nan 0.000 0.499 952 R N 0.889 121.621 120.500 0.388 0.000 2.686 952 R HA 0.791 5.138 4.340 0.012 0.000 0.286 952 R C 0.202 176.785 176.300 0.471 0.000 0.969 952 R CA -0.480 55.873 56.100 0.423 0.000 0.898 952 R CB 2.379 32.837 30.300 0.263 0.000 1.183 952 R HN 0.744 nan 8.270 nan 0.000 0.456 953 G N 0.662 109.760 108.800 0.496 0.000 2.566 953 G HA2 0.046 4.013 3.960 0.012 0.000 0.138 953 G HA3 0.046 4.013 3.960 0.012 0.000 0.138 953 G C -1.760 173.300 174.900 0.267 0.000 1.133 953 G CA -0.295 45.062 45.100 0.427 0.000 1.037 953 G HN 0.481 nan 8.290 nan 0.000 0.491 954 D N -0.047 120.505 120.400 0.253 0.000 2.411 954 D HA 0.557 5.204 4.640 0.012 0.000 0.239 954 D C -0.807 175.509 176.300 0.025 0.000 1.307 954 D CA -0.489 53.535 54.000 0.039 0.000 0.930 954 D CB 0.185 41.040 40.800 0.093 0.000 1.395 954 D HN 0.513 nan 8.370 nan 0.000 0.536 955 F N -0.234 119.715 119.950 -0.001 0.000 2.706 955 F HA 0.735 5.269 4.527 0.012 0.000 0.328 955 F C -1.009 174.749 175.800 -0.071 0.000 1.123 955 F CA -0.999 56.933 58.000 -0.113 0.000 0.978 955 F CB 0.791 39.727 39.000 -0.107 0.000 1.404 955 F HN -0.159 nan 8.300 nan 0.000 0.497 956 Q N 1.649 121.520 119.800 0.118 0.000 2.345 956 Q HA 0.639 4.987 4.340 0.012 0.000 0.268 956 Q C -1.299 174.761 176.000 0.100 0.000 1.054 956 Q CA -0.496 55.293 55.803 -0.023 0.000 0.835 956 Q CB 2.696 31.312 28.738 -0.203 0.000 1.339 956 Q HN 0.873 nan 8.270 nan 0.000 0.447 957 F N -1.068 118.761 119.950 -0.203 0.000 2.686 957 F HA 0.749 5.283 4.527 0.012 0.000 0.311 957 F C -1.470 174.104 175.800 -0.377 0.000 1.128 957 F CA -1.126 56.714 58.000 -0.265 0.000 0.946 957 F CB 1.568 40.433 39.000 -0.226 0.000 1.336 957 F HN 0.568 nan 8.300 nan 0.000 0.457 958 N N 1.278 119.793 118.700 -0.308 0.000 2.284 958 N HA 0.742 5.489 4.740 0.012 0.000 0.289 958 N C -2.104 173.332 175.510 -0.122 0.000 1.179 958 N CA -0.754 52.091 53.050 -0.343 0.000 0.774 958 N CB 2.669 40.966 38.487 -0.315 0.000 1.548 958 N HN 1.129 nan 8.380 nan 0.000 0.473 959 I N 0.373 120.861 120.570 -0.137 0.000 2.680 959 I HA 0.670 4.847 4.170 0.012 0.000 0.291 959 I C -1.462 174.558 176.117 -0.162 0.000 1.244 959 I CA 0.044 61.234 61.300 -0.183 0.000 1.042 959 I CB 1.375 39.205 38.000 -0.284 0.000 1.277 959 I HN 1.075 nan 8.210 nan 0.000 0.423 960 S N 6.162 121.777 115.700 -0.141 0.000 2.656 960 S HA 0.497 4.974 4.470 0.012 0.000 0.265 960 S C -0.335 174.143 174.600 -0.204 0.000 1.132 960 S CA -0.987 57.116 58.200 -0.161 0.000 0.819 960 S CB 1.579 64.728 63.200 -0.086 0.000 1.119 960 S HN 0.625 nan 8.310 nan 0.000 0.476 961 R N -0.086 120.120 120.500 -0.489 0.000 2.356 961 R HA 0.275 4.622 4.340 0.012 0.000 0.234 961 R C -0.923 175.041 176.300 -0.560 0.000 0.929 961 R CA 0.276 56.069 56.100 -0.511 0.000 1.084 961 R CB -0.987 28.912 30.300 -0.668 0.000 1.105 961 R HN 0.661 nan 8.270 nan 0.000 0.515 962 Y N 0.047 120.309 120.300 -0.063 0.000 2.376 962 Y HA 0.220 4.777 4.550 0.012 0.000 0.340 962 Y C 0.675 176.363 175.900 -0.353 0.000 0.965 962 Y CA -1.165 56.816 58.100 -0.199 0.000 1.078 962 Y CB 1.470 39.746 38.460 -0.306 0.000 1.193 962 Y HN -0.099 nan 8.280 nan 0.000 0.452 963 S N 1.558 116.942 115.700 -0.526 0.000 2.593 963 S HA 0.055 4.532 4.470 0.012 0.000 0.269 963 S C 0.882 175.151 174.600 -0.551 0.000 1.334 963 S CA -0.769 56.784 58.200 -1.078 0.000 1.015 963 S CB 1.186 63.543 63.200 -1.405 0.000 0.912 963 S HN 0.726 nan 8.310 nan 0.000 0.541 964 Q N 0.830 120.316 119.800 -0.524 0.000 2.135 964 Q HA -0.219 4.128 4.340 0.012 0.000 0.204 964 Q C 2.225 178.074 176.000 -0.251 0.000 0.981 964 Q CA 1.999 57.626 55.803 -0.294 0.000 0.856 964 Q CB -0.569 28.026 28.738 -0.240 0.000 0.902 964 Q HN 0.985 nan 8.270 nan 0.000 0.425 965 Q N 0.578 120.192 119.800 -0.311 0.000 2.084 965 Q HA -0.220 4.127 4.340 0.012 0.000 0.202 965 Q C 2.130 178.012 176.000 -0.197 0.000 0.978 965 Q CA 1.584 57.265 55.803 -0.203 0.000 0.844 965 Q CB -0.007 28.619 28.738 -0.186 0.000 0.898 965 Q HN 0.417 nan 8.270 nan 0.000 0.426 966 Q N 0.052 119.702 119.800 -0.250 0.000 2.084 966 Q HA -0.165 4.182 4.340 0.012 0.000 0.202 966 Q C 2.190 178.044 176.000 -0.243 0.000 0.978 966 Q CA 1.385 57.045 55.803 -0.238 0.000 0.844 966 Q CB -0.077 28.486 28.738 -0.293 0.000 0.898 966 Q HN 0.501 nan 8.270 nan 0.000 0.426 967 L N 0.088 121.166 121.223 -0.243 0.000 2.083 967 L HA -0.183 4.164 4.340 0.012 0.000 0.209 967 L C 2.661 179.387 176.870 -0.239 0.000 1.083 967 L CA 1.095 55.787 54.840 -0.247 0.000 0.752 967 L CB -0.302 41.646 42.059 -0.184 0.000 0.899 967 L HN 0.411 nan 8.230 nan 0.000 0.433 968 M N -0.635 118.856 119.600 -0.181 0.000 2.394 968 M HA -0.149 4.339 4.480 0.012 0.000 0.264 968 M C 1.503 177.723 176.300 -0.133 0.000 1.073 968 M CA 1.514 56.726 55.300 -0.146 0.000 1.111 968 M CB 0.146 32.675 32.600 -0.119 0.000 1.401 968 M HN 0.197 nan 8.290 nan 0.000 0.448 969 E N -0.667 119.450 120.200 -0.137 0.000 2.474 969 E HA 0.058 4.415 4.350 0.012 0.000 0.195 969 E C -0.394 176.149 176.600 -0.095 0.000 1.039 969 E CA 0.099 56.442 56.400 -0.095 0.000 0.881 969 E CB 0.564 30.216 29.700 -0.080 0.000 0.970 969 E HN 0.274 nan 8.360 nan 0.000 0.486 970 T N 0.279 114.738 114.554 -0.158 0.000 2.779 970 T HA 0.087 4.445 4.350 0.012 0.000 0.280 970 T C 1.038 175.645 174.700 -0.156 0.000 0.987 970 T CA -0.470 61.540 62.100 -0.150 0.000 0.966 970 T CB 1.669 70.406 68.868 -0.218 0.000 0.933 970 T HN 0.018 nan 8.240 nan 0.000 0.442 971 S N 1.947 117.655 115.700 0.015 0.000 2.496 971 S HA 0.047 4.524 4.470 0.012 0.000 0.224 971 S C 0.296 174.963 174.600 0.111 0.000 0.996 971 S CA 0.392 58.696 58.200 0.173 0.000 0.927 971 S CB -0.249 63.204 63.200 0.421 0.000 0.774 971 S HN 0.753 nan 8.310 nan 0.000 0.524 972 H N 0.258 119.325 119.070 -0.005 0.000 2.865 972 H HA 0.481 5.045 4.556 0.012 0.000 0.362 972 H C 0.907 176.192 175.328 -0.072 0.000 1.114 972 H CA -0.758 55.334 56.048 0.072 0.000 1.208 972 H CB 1.493 31.266 29.762 0.019 0.000 1.727 972 H HN 0.101 nan 8.280 nan 0.000 0.534 973 R N 1.860 122.444 120.500 0.139 0.000 2.105 973 R HA -0.187 4.160 4.340 0.012 0.000 0.239 973 R C 1.186 177.487 176.300 0.002 0.000 1.135 973 R CA 2.042 58.166 56.100 0.039 0.000 0.967 973 R CB -0.476 29.887 30.300 0.104 0.000 0.861 973 R HN 0.793 nan 8.270 nan 0.000 0.442 974 H N 0.905 119.964 119.070 -0.017 0.000 2.559 974 H HA 0.044 4.607 4.556 0.012 0.000 0.273 974 H C 1.456 176.691 175.328 -0.155 0.000 1.000 974 H CA 0.718 56.715 56.048 -0.085 0.000 1.195 974 H CB -0.106 29.588 29.762 -0.113 0.000 1.368 974 H HN 0.327 nan 8.280 nan 0.000 0.592 975 L N 0.826 121.659 121.223 -0.651 0.000 2.592 975 L HA 0.210 4.557 4.340 0.012 0.000 0.227 975 L C 0.727 177.438 176.870 -0.266 0.000 1.127 975 L CA -0.142 54.383 54.840 -0.524 0.000 0.884 975 L CB 0.126 41.880 42.059 -0.509 0.000 1.065 975 L HN 0.056 nan 8.230 nan 0.000 0.457 976 L N 0.785 121.839 121.223 -0.282 0.000 2.452 976 L HA 0.132 4.479 4.340 0.012 0.000 0.267 976 L C 0.161 176.966 176.870 -0.108 0.000 1.188 976 L CA -0.056 54.578 54.840 -0.343 0.000 0.821 976 L CB 0.356 41.986 42.059 -0.714 0.000 1.102 976 L HN 0.209 nan 8.230 nan 0.000 0.470 977 H N 1.333 120.414 119.070 0.018 0.000 2.667 977 H HA 0.580 5.143 4.556 0.012 0.000 0.353 977 H C -0.794 174.656 175.328 0.203 0.000 1.072 977 H CA -1.226 54.879 56.048 0.094 0.000 1.214 977 H CB 1.227 30.999 29.762 0.016 0.000 1.600 977 H HN 0.683 nan 8.280 nan 0.000 0.527 978 A N 3.676 126.635 122.820 0.231 0.000 2.540 978 A HA 0.084 4.411 4.320 0.012 0.000 0.239 978 A C 0.369 178.019 177.584 0.111 0.000 1.061 978 A CA -0.123 51.909 52.037 -0.007 0.000 0.758 978 A CB 0.030 18.981 19.000 -0.082 0.000 0.991 978 A HN 0.849 nan 8.150 nan 0.000 0.502 979 E N 0.725 120.973 120.200 0.080 0.000 2.322 979 E HA 0.242 4.599 4.350 0.012 0.000 0.257 979 E C -0.010 176.627 176.600 0.061 0.000 1.155 979 E CA -0.642 55.859 56.400 0.168 0.000 0.936 979 E CB 0.753 30.625 29.700 0.287 0.000 1.130 979 E HN 0.807 nan 8.360 nan 0.000 0.465 980 E N 0.189 120.415 120.200 0.044 0.000 2.392 980 E HA 0.231 4.588 4.350 0.012 0.000 0.264 980 E C 0.324 176.876 176.600 -0.080 0.000 1.024 980 E CA 0.543 56.931 56.400 -0.020 0.000 0.903 980 E CB 0.355 30.038 29.700 -0.028 0.000 0.963 980 E HN 0.657 nan 8.360 nan 0.000 0.432 981 G N 2.484 111.239 108.800 -0.075 0.000 2.645 981 G HA2 -0.222 3.745 3.960 0.012 0.000 0.239 981 G HA3 -0.222 3.745 3.960 0.012 0.000 0.239 981 G C -0.625 174.215 174.900 -0.101 0.000 1.331 981 G CA -0.166 44.873 45.100 -0.100 0.000 0.890 981 G HN 0.670 nan 8.290 nan 0.000 0.572 982 T N 0.195 114.675 114.554 -0.124 0.000 2.879 982 T HA 0.501 4.858 4.350 0.012 0.000 0.290 982 T C -0.793 173.782 174.700 -0.209 0.000 0.993 982 T CA -0.161 61.875 62.100 -0.105 0.000 0.975 982 T CB 1.342 70.222 68.868 0.020 0.000 0.981 982 T HN 0.563 nan 8.240 nan 0.000 0.439 983 W N 3.345 124.543 121.300 -0.170 0.000 2.322 983 W HA 0.590 5.257 4.660 0.012 0.000 0.307 983 W C -0.272 176.106 176.519 -0.234 0.000 1.220 983 W CA -0.680 56.562 57.345 -0.172 0.000 1.210 983 W CB 0.729 30.100 29.460 -0.148 0.000 1.223 983 W HN 0.377 nan 8.180 nan 0.000 0.511 984 L N 5.769 126.976 121.223 -0.027 0.000 2.325 984 L HA 0.509 4.856 4.340 0.012 0.000 0.281 984 L C -0.930 175.833 176.870 -0.177 0.000 1.004 984 L CA -0.455 54.248 54.840 -0.230 0.000 0.823 984 L CB 0.760 42.528 42.059 -0.486 0.000 1.236 984 L HN 0.308 nan 8.230 nan 0.000 0.415 985 N N 7.190 125.778 118.700 -0.187 0.000 2.446 985 N HA 0.488 5.236 4.740 0.012 0.000 0.265 985 N C -1.202 174.160 175.510 -0.247 0.000 0.975 985 N CA -0.231 52.706 53.050 -0.188 0.000 0.928 985 N CB 2.149 40.549 38.487 -0.144 0.000 1.160 985 N HN 0.557 nan 8.380 nan 0.000 0.495 986 I N 1.661 122.041 120.570 -0.317 0.000 2.410 986 I HA 0.257 4.434 4.170 0.012 0.000 0.286 986 I C -0.745 175.182 176.117 -0.318 0.000 1.009 986 I CA -0.665 60.414 61.300 -0.368 0.000 1.111 986 I CB 1.857 39.451 38.000 -0.677 0.000 1.262 986 I HN 0.139 nan 8.210 nan 0.000 0.443 987 D N 4.435 124.684 120.400 -0.252 0.000 2.217 987 D HA 0.294 4.941 4.640 0.012 0.000 0.243 987 D C 1.017 177.015 176.300 -0.503 0.000 1.054 987 D CA -0.231 53.555 54.000 -0.357 0.000 0.838 987 D CB 2.553 43.245 40.800 -0.179 0.000 1.162 987 D HN 0.710 nan 8.370 nan 0.000 0.472 988 G N 1.209 109.401 108.800 -1.012 0.000 2.403 988 G HA2 -0.046 3.922 3.960 0.012 0.000 0.216 988 G HA3 -0.046 3.922 3.960 0.012 0.000 0.216 988 G C 0.100 174.191 174.900 -1.348 0.000 1.154 988 G CA 0.651 45.034 45.100 -1.195 0.000 0.784 988 G HN 0.382 nan 8.290 nan 0.000 0.538 989 F N -2.132 117.635 119.950 -0.306 0.000 2.601 989 F HA 0.608 5.143 4.527 0.012 0.000 0.309 989 F C -0.547 175.161 175.800 -0.153 0.000 1.089 989 F CA -1.163 56.732 58.000 -0.175 0.000 0.940 989 F CB 2.165 40.985 39.000 -0.300 0.000 1.273 989 F HN 0.047 nan 8.300 nan 0.000 0.450 990 H N 1.899 120.972 119.070 0.006 0.000 2.865 990 H HA 0.519 5.082 4.556 0.012 0.000 0.362 990 H C -0.844 174.510 175.328 0.044 0.000 1.114 990 H CA -0.850 55.178 56.048 -0.033 0.000 1.208 990 H CB 1.828 31.552 29.762 -0.062 0.000 1.727 990 H HN 0.781 nan 8.280 nan 0.000 0.534 991 M N 3.314 122.842 119.600 -0.120 0.000 2.245 991 M HA 0.285 4.772 4.480 0.012 0.000 0.330 991 M C 0.515 176.921 176.300 0.176 0.000 1.098 991 M CA 0.387 55.696 55.300 0.015 0.000 1.172 991 M CB 0.354 32.866 32.600 -0.147 0.000 1.467 991 M HN 0.847 nan 8.290 nan 0.000 0.454 992 G N 2.728 111.613 108.800 0.142 0.000 2.630 992 G HA2 0.259 4.226 3.960 0.012 0.000 0.236 992 G HA3 0.259 4.226 3.960 0.012 0.000 0.236 992 G C 0.597 175.485 174.900 -0.020 0.000 1.248 992 G CA -0.353 44.770 45.100 0.039 0.000 0.844 992 G HN 0.973 nan 8.290 nan 0.000 0.588 993 I N -1.041 119.474 120.570 -0.092 0.000 3.645 993 I HA 0.411 4.588 4.170 0.012 0.000 0.300 993 I C 1.208 177.265 176.117 -0.100 0.000 1.260 993 I CA 0.410 61.617 61.300 -0.155 0.000 1.365 993 I CB -0.571 37.239 38.000 -0.317 0.000 1.077 993 I HN 0.937 nan 8.210 nan 0.000 0.439 994 G N 1.552 110.316 108.800 -0.060 0.000 2.645 994 G HA2 0.047 4.014 3.960 0.012 0.000 0.239 994 G HA3 0.047 4.014 3.960 0.012 0.000 0.239 994 G C 0.541 175.442 174.900 0.003 0.000 1.331 994 G CA 0.063 45.163 45.100 0.000 0.000 0.890 994 G HN 1.373 nan 8.290 nan 0.000 0.572 995 G N -2.295 106.521 108.800 0.027 0.000 2.370 995 G HA2 0.012 3.979 3.960 0.012 0.000 0.174 995 G HA3 0.012 3.979 3.960 0.012 0.000 0.174 995 G C 0.638 175.597 174.900 0.099 0.000 1.002 995 G CA 0.921 46.044 45.100 0.040 0.000 0.730 995 G HN 0.983 nan 8.290 nan 0.000 0.497 996 D N 1.217 121.697 120.400 0.133 0.000 2.190 996 D HA 0.090 4.737 4.640 0.012 0.000 0.200 996 D C 1.047 177.382 176.300 0.060 0.000 0.992 996 D CA 2.108 56.249 54.000 0.236 0.000 0.854 996 D CB 0.140 41.086 40.800 0.242 0.000 0.936 996 D HN 0.826 nan 8.370 nan 0.000 0.462 997 D N -3.453 116.778 120.400 -0.281 0.000 2.643 997 D HA 0.334 4.982 4.640 0.012 0.000 0.283 997 D C -0.813 174.991 176.300 -0.826 0.000 1.242 997 D CA -0.738 52.667 54.000 -0.992 0.000 0.863 997 D CB 0.909 40.565 40.800 -1.906 0.000 1.382 997 D HN -0.312 nan 8.370 nan 0.000 0.444 998 S N -0.546 114.513 115.700 -1.069 0.000 2.624 998 S HA 0.256 4.733 4.470 0.012 0.000 0.246 998 S C -0.667 174.007 174.600 0.124 0.000 1.072 998 S CA -0.676 57.408 58.200 -0.193 0.000 1.045 998 S CB -0.494 62.842 63.200 0.225 0.000 0.851 998 S HN 0.617 nan 8.310 nan 0.000 0.480 999 W N 0.617 121.874 121.300 -0.073 0.000 2.079 999 W HA 0.487 5.154 4.660 0.011 0.000 0.285 999 W C 0.043 176.520 176.519 -0.069 0.000 0.891 999 W CA -0.459 56.840 57.345 -0.075 0.000 1.308 999 W CB -0.481 28.860 29.460 -0.199 0.000 1.047 999 W HN 0.187 nan 8.180 nan 0.000 0.522 1000 S N -0.836 114.768 115.700 -0.159 0.000 2.556 1000 S HA 0.670 5.147 4.470 0.012 0.000 0.271 1000 S C -3.093 171.454 174.600 -0.089 0.000 1.135 1000 S CA -1.714 56.438 58.200 -0.080 0.000 0.858 1000 S CB 1.974 65.153 63.200 -0.034 0.000 1.114 1000 S HN -0.250 nan 8.310 nan 0.000 0.468 1001 P HA 0.202 nan 4.420 nan 0.000 0.264 1001 P C 0.329 177.673 177.300 0.072 0.000 1.193 1001 P CA -0.035 63.079 63.100 0.025 0.000 0.763 1001 P CB 0.737 32.349 31.700 -0.148 0.000 0.810 1002 S N 0.403 116.191 115.700 0.147 0.000 2.787 1002 S HA 0.127 4.604 4.470 0.012 0.000 0.255 1002 S C 0.196 174.889 174.600 0.154 0.000 1.051 1002 S CA -0.286 57.975 58.200 0.102 0.000 1.124 1002 S CB -0.275 62.934 63.200 0.016 0.000 1.104 1002 S HN 0.108 nan 8.310 nan 0.000 0.623 1003 V N 2.989 123.041 119.914 0.229 0.000 2.470 1003 V HA 0.350 4.477 4.120 0.012 0.000 0.276 1003 V C 0.852 177.103 176.094 0.262 0.000 1.040 1003 V CA -0.190 62.232 62.300 0.203 0.000 1.008 1003 V CB 0.942 32.837 31.823 0.120 0.000 0.990 1003 V HN 0.523 nan 8.190 nan 0.000 0.477 1004 S N 4.035 119.900 115.700 0.275 0.000 2.568 1004 S HA 0.276 4.753 4.470 0.012 0.000 0.282 1004 S C 1.546 176.293 174.600 0.245 0.000 1.338 1004 S CA 0.060 58.416 58.200 0.261 0.000 1.045 1004 S CB 1.086 64.465 63.200 0.299 0.000 0.873 1004 S HN 0.997 nan 8.310 nan 0.000 0.516 1005 A N 3.655 126.576 122.820 0.167 0.000 1.927 1005 A HA -0.172 4.155 4.320 0.012 0.000 0.220 1005 A C 2.019 179.643 177.584 0.066 0.000 1.185 1005 A CA 1.962 54.084 52.037 0.140 0.000 0.639 1005 A CB -0.734 18.326 19.000 0.099 0.000 0.820 1005 A HN 0.969 nan 8.150 nan 0.000 0.451 1006 E N -0.867 119.310 120.200 -0.037 0.000 2.409 1006 E HA -0.137 4.220 4.350 0.012 0.000 0.198 1006 E C 0.809 177.193 176.600 -0.359 0.000 1.024 1006 E CA 0.856 57.120 56.400 -0.227 0.000 0.861 1006 E CB -0.439 29.049 29.700 -0.354 0.000 0.788 1006 E HN 0.698 nan 8.360 nan 0.000 0.521 1007 F N 0.960 120.964 119.950 0.090 0.000 2.661 1007 F HA 0.276 4.810 4.527 0.012 0.000 0.306 1007 F C 0.927 176.768 175.800 0.068 0.000 1.094 1007 F CA -0.526 57.528 58.000 0.090 0.000 1.254 1007 F CB 0.583 39.637 39.000 0.090 0.000 1.040 1007 F HN -0.186 nan 8.300 nan 0.000 0.562 1008 Q N 1.152 121.064 119.800 0.187 0.000 2.230 1008 Q HA 0.419 4.766 4.340 0.012 0.000 0.248 1008 Q C -0.263 175.769 176.000 0.053 0.000 0.915 1008 Q CA -0.547 55.338 55.803 0.138 0.000 0.900 1008 Q CB 1.920 30.818 28.738 0.266 0.000 1.229 1008 Q HN 0.235 nan 8.270 nan 0.000 0.439 1009 L N 2.428 123.670 121.223 0.032 0.000 2.387 1009 L HA 0.131 4.478 4.340 0.012 0.000 0.267 1009 L C 0.455 177.289 176.870 -0.060 0.000 1.197 1009 L CA -0.060 54.791 54.840 0.019 0.000 1.070 1009 L CB -0.212 41.766 42.059 -0.135 0.000 1.349 1009 L HN 0.683 nan 8.230 nan 0.000 0.422 1010 S N -1.112 114.464 115.700 -0.207 0.000 2.593 1010 S HA 0.177 4.654 4.470 0.012 0.000 0.236 1010 S C 1.506 176.040 174.600 -0.109 0.000 0.991 1010 S CA 0.132 58.035 58.200 -0.495 0.000 0.963 1010 S CB 0.829 63.565 63.200 -0.773 0.000 0.865 1010 S HN 0.514 nan 8.310 nan 0.000 0.488 1011 A N 1.395 124.194 122.820 -0.035 0.000 2.119 1011 A HA 0.488 4.816 4.320 0.012 0.000 0.217 1011 A C 2.065 179.513 177.584 -0.226 0.000 1.153 1011 A CA 1.078 52.954 52.037 -0.269 0.000 0.692 1011 A CB -1.159 17.416 19.000 -0.709 0.000 0.799 1011 A HN 1.450 nan 8.150 nan 0.000 0.458 1012 G N -1.261 107.522 108.800 -0.029 0.000 2.640 1012 G HA2 -0.290 3.677 3.960 0.012 0.000 0.226 1012 G HA3 -0.290 3.677 3.960 0.012 0.000 0.226 1012 G C 0.452 175.360 174.900 0.013 0.000 1.222 1012 G CA 0.422 45.539 45.100 0.030 0.000 0.729 1012 G HN 0.678 nan 8.290 nan 0.000 0.516 1013 R N -0.559 119.828 120.500 -0.188 0.000 2.621 1013 R HA 0.696 5.043 4.340 0.012 0.000 0.292 1013 R C -1.561 174.507 176.300 -0.387 0.000 0.969 1013 R CA -0.601 55.425 56.100 -0.124 0.000 0.887 1013 R CB 1.593 31.854 30.300 -0.066 0.000 1.180 1013 R HN 0.251 nan 8.270 nan 0.000 0.450 1014 Y N 0.230 120.521 120.300 -0.015 0.000 2.492 1014 Y HA 0.334 4.891 4.550 0.012 0.000 0.346 1014 Y C -0.521 175.508 175.900 0.215 0.000 0.997 1014 Y CA -0.823 57.231 58.100 -0.077 0.000 1.025 1014 Y CB 2.223 40.495 38.460 -0.313 0.000 1.263 1014 Y HN 0.583 nan 8.280 nan 0.000 0.454 1015 H N 2.838 122.153 119.070 0.407 0.000 2.589 1015 H HA 0.605 5.168 4.556 0.012 0.000 0.351 1015 H C -1.707 174.013 175.328 0.654 0.000 1.074 1015 H CA -0.877 55.416 56.048 0.408 0.000 1.203 1015 H CB 1.138 31.040 29.762 0.233 0.000 1.558 1015 H HN 0.584 nan 8.280 nan 0.000 0.522 1016 Y N 2.011 122.131 120.300 -0.301 0.000 2.625 1016 Y HA 0.518 5.075 4.550 0.012 0.000 0.338 1016 Y C -1.822 173.897 175.900 -0.302 0.000 1.123 1016 Y CA -1.176 56.828 58.100 -0.161 0.000 1.046 1016 Y CB 1.476 39.946 38.460 0.016 0.000 1.299 1016 Y HN 0.766 nan 8.280 nan 0.000 0.464 1017 Q N 2.232 122.051 119.800 0.031 0.000 2.340 1017 Q HA 0.775 5.122 4.340 0.012 0.000 0.276 1017 Q C -2.567 173.526 176.000 0.154 0.000 1.048 1017 Q CA -0.688 55.111 55.803 -0.005 0.000 0.832 1017 Q CB 2.772 31.547 28.738 0.062 0.000 1.373 1017 Q HN 0.906 nan 8.270 nan 0.000 0.409 1018 L N 1.595 122.894 121.223 0.127 0.000 2.350 1018 L HA 0.865 5.212 4.340 0.012 0.000 0.260 1018 L C -1.124 175.869 176.870 0.204 0.000 1.015 1018 L CA -1.366 53.592 54.840 0.195 0.000 0.821 1018 L CB 2.812 44.968 42.059 0.161 0.000 1.370 1018 L HN 0.603 nan 8.230 nan 0.000 0.416 1019 V N 0.432 120.492 119.914 0.244 0.000 2.531 1019 V HA 0.384 4.511 4.120 0.012 0.000 0.301 1019 V C -1.422 174.850 176.094 0.298 0.000 1.034 1019 V CA -0.446 62.002 62.300 0.248 0.000 0.865 1019 V CB 2.146 34.085 31.823 0.193 0.000 0.995 1019 V HN 0.606 nan 8.190 nan 0.000 0.424 1020 W N 7.015 128.387 121.300 0.119 0.000 2.361 1020 W HA 0.709 5.376 4.660 0.012 0.000 0.314 1020 W C -0.225 176.301 176.519 0.011 0.000 1.041 1020 W CA -1.101 56.237 57.345 -0.012 0.000 1.241 1020 W CB 1.355 30.882 29.460 0.112 0.000 1.279 1020 W HN 0.875 nan 8.180 nan 0.000 0.436 1021 C N 5.045 124.565 119.300 0.366 0.000 3.259 1021 C HA 0.669 5.137 4.460 0.012 0.000 0.328 1021 C C -0.193 174.903 174.990 0.177 0.000 1.425 1021 C CA -0.593 58.583 59.018 0.262 0.000 1.465 1021 C CB 1.738 29.582 27.740 0.174 0.000 1.890 1021 C HN 0.742 nan 8.230 nan 0.000 0.450 1022 Q N 1.016 120.877 119.800 0.101 0.000 2.448 1022 Q HA 0.796 5.144 4.340 0.012 0.000 0.192 1022 Q C -1.097 174.891 176.000 -0.020 0.000 1.001 1022 Q CA -0.192 55.614 55.803 0.004 0.000 1.018 1022 Q CB 1.814 30.532 28.738 -0.032 0.000 1.290 1022 Q HN 0.958 nan 8.270 nan 0.000 0.517 1023 K N 0.000 120.366 120.400 -0.056 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.259 56.287 -0.046 0.000 0.838 1023 K CB 0.000 32.481 32.500 -0.032 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543