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 1jz3_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE 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 0.000 176.081 176.300 -0.365 0.000 0.893 13 R CA 0.000 55.964 56.100 -0.227 0.000 0.921 13 R CB 0.000 30.172 30.300 -0.213 0.000 0.687 14 R N 1.863 122.030 120.500 -0.555 0.000 3.158 14 R HA -0.165 4.191 4.340 0.026 0.000 0.244 14 R C -0.217 175.523 176.300 -0.932 0.000 0.900 14 R CA 0.754 56.085 56.100 -1.282 0.000 0.618 14 R CB -1.148 28.599 30.300 -0.921 0.000 1.061 14 R HN 0.257 nan 8.270 nan 0.000 0.471 15 D N -0.226 119.840 120.400 -0.557 0.000 2.309 15 D HA -0.174 4.482 4.640 0.026 0.000 0.212 15 D C 1.564 177.779 176.300 -0.142 0.000 0.968 15 D CA 1.558 55.326 54.000 -0.386 0.000 0.882 15 D CB -0.106 40.273 40.800 -0.701 0.000 0.918 15 D HN 0.728 nan 8.370 nan 0.000 0.503 16 W N 1.160 122.479 121.300 0.032 0.000 3.292 16 W HA 0.211 4.886 4.660 0.026 0.000 0.263 16 W C 0.384 176.999 176.519 0.161 0.000 1.318 16 W CA -0.301 57.166 57.345 0.202 0.000 1.663 16 W CB -0.244 29.385 29.460 0.281 0.000 1.114 16 W HN -0.196 nan 8.180 nan 0.000 0.706 17 E N 1.364 121.431 120.200 -0.221 0.000 3.385 17 E HA 0.066 4.432 4.350 0.026 0.000 0.206 17 E C -0.768 175.695 176.600 -0.229 0.000 0.997 17 E CA -0.232 56.079 56.400 -0.147 0.000 1.278 17 E CB -0.185 29.432 29.700 -0.139 0.000 1.165 17 E HN 0.031 nan 8.360 nan 0.000 0.452 18 N N 1.079 119.673 118.700 -0.177 0.000 2.699 18 N HA 0.113 4.869 4.740 0.026 0.000 0.271 18 N C -2.454 172.913 175.510 -0.238 0.000 1.216 18 N CA -1.755 51.152 53.050 -0.238 0.000 0.844 18 N CB 1.444 39.803 38.487 -0.214 0.000 1.462 18 N HN -0.158 nan 8.380 nan 0.000 0.555 19 P HA 0.102 nan 4.420 nan 0.000 0.234 19 P C 1.057 178.117 177.300 -0.400 0.000 1.167 19 P CA 0.493 63.257 63.100 -0.560 0.000 0.763 19 P CB 0.120 30.975 31.700 -1.409 0.000 0.835 20 G N -0.366 108.248 108.800 -0.310 0.000 2.623 20 G HA2 0.046 4.021 3.960 0.026 0.000 0.214 20 G HA3 0.046 4.021 3.960 0.026 0.000 0.214 20 G C 0.312 175.136 174.900 -0.127 0.000 1.138 20 G CA 0.201 45.173 45.100 -0.213 0.000 0.794 20 G HN 0.211 nan 8.290 nan 0.000 0.535 21 V N 1.757 121.611 119.914 -0.100 0.000 2.325 21 V HA 0.281 4.417 4.120 0.026 0.000 0.280 21 V C 0.843 176.994 176.094 0.094 0.000 1.016 21 V CA 0.117 62.410 62.300 -0.012 0.000 0.818 21 V CB 1.168 32.965 31.823 -0.044 0.000 1.019 21 V HN 0.330 nan 8.190 nan 0.000 0.434 22 T N 0.677 115.279 114.554 0.079 0.000 3.023 22 T HA 0.349 4.715 4.350 0.026 0.000 0.253 22 T C 0.282 175.033 174.700 0.086 0.000 1.038 22 T CA 0.109 62.262 62.100 0.088 0.000 0.962 22 T CB 0.276 69.149 68.868 0.008 0.000 1.018 22 T HN 0.690 nan 8.240 nan 0.000 0.521 23 Q N 0.227 120.124 119.800 0.161 0.000 2.776 23 Q HA 0.671 5.027 4.340 0.026 0.000 0.289 23 Q C -2.302 173.832 176.000 0.224 0.000 0.912 23 Q CA -1.078 54.814 55.803 0.148 0.000 0.789 23 Q CB 0.858 29.599 28.738 0.004 0.000 1.498 23 Q HN 0.218 nan 8.270 nan 0.000 0.408 24 L N 1.751 123.127 121.223 0.256 0.000 2.470 24 L HA 0.592 4.948 4.340 0.026 0.000 0.268 24 L C -0.691 176.300 176.870 0.201 0.000 0.964 24 L CA -0.926 54.067 54.840 0.255 0.000 0.839 24 L CB 1.957 44.271 42.059 0.425 0.000 1.276 24 L HN 0.862 nan 8.230 nan 0.000 0.403 25 N N 0.767 119.558 118.700 0.152 0.000 2.753 25 N HA -0.208 4.548 4.740 0.026 0.000 0.251 25 N C 0.159 175.766 175.510 0.161 0.000 1.097 25 N CA 0.847 53.980 53.050 0.137 0.000 0.786 25 N CB -0.851 37.672 38.487 0.060 0.000 1.137 25 N HN 0.671 nan 8.380 nan 0.000 0.566 26 R N 0.767 121.286 120.500 0.032 0.000 2.490 26 R HA 0.446 4.802 4.340 0.026 0.000 0.278 26 R C 0.450 176.627 176.300 -0.205 0.000 1.069 26 R CA -0.388 55.525 56.100 -0.313 0.000 1.080 26 R CB 0.566 30.669 30.300 -0.329 0.000 1.030 26 R HN 0.131 nan 8.270 nan 0.000 0.491 27 L N 2.829 123.898 121.223 -0.255 0.000 2.439 27 L HA 0.350 4.706 4.340 0.026 0.000 0.261 27 L C 0.601 177.425 176.870 -0.077 0.000 1.153 27 L CA -0.653 54.126 54.840 -0.101 0.000 0.808 27 L CB 0.977 43.007 42.059 -0.048 0.000 1.126 27 L HN 0.791 nan 8.230 nan 0.000 0.460 28 A N 1.413 124.227 122.820 -0.009 0.000 2.507 28 A HA 0.444 4.780 4.320 0.026 0.000 0.235 28 A C 0.322 177.909 177.584 0.004 0.000 1.070 28 A CA 0.097 52.135 52.037 0.001 0.000 0.768 28 A CB 0.077 19.101 19.000 0.040 0.000 1.011 28 A HN 0.795 nan 8.150 nan 0.000 0.502 29 A N 1.361 124.137 122.820 -0.072 0.000 2.332 29 A HA 0.688 5.024 4.320 0.026 0.000 0.258 29 A C 0.068 177.547 177.584 -0.174 0.000 1.087 29 A CA 0.430 52.347 52.037 -0.200 0.000 0.802 29 A CB -0.030 18.854 19.000 -0.193 0.000 1.042 29 A HN 1.941 nan 8.150 nan 0.000 0.489 30 H N -2.196 116.716 119.070 -0.264 0.000 2.950 30 H HA 0.618 5.190 4.556 0.026 0.000 0.307 30 H C -3.429 171.596 175.328 -0.506 0.000 1.403 30 H CA -1.830 53.991 56.048 -0.378 0.000 1.145 30 H CB -0.008 29.420 29.762 -0.557 0.000 1.844 30 H HN 0.376 nan 8.280 nan 0.000 0.515 31 P HA 0.184 nan 4.420 nan 0.000 0.273 31 P C -2.562 174.564 177.300 -0.289 0.000 1.250 31 P CA -1.259 61.625 63.100 -0.360 0.000 0.793 31 P CB -0.257 31.147 31.700 -0.492 0.000 1.011 32 P HA 0.023 nan 4.420 nan 0.000 0.260 32 P C -0.745 176.733 177.300 0.296 0.000 1.185 32 P CA 1.169 64.299 63.100 0.050 0.000 0.763 32 P CB -0.168 31.600 31.700 0.114 0.000 0.776 33 F N 1.483 121.539 119.950 0.177 0.000 2.541 33 F HA 0.623 5.166 4.527 0.026 0.000 0.331 33 F C 1.063 176.802 175.800 -0.102 0.000 1.057 33 F CA -1.005 57.040 58.000 0.074 0.000 0.975 33 F CB 2.072 41.067 39.000 -0.007 0.000 1.246 33 F HN 0.210 nan 8.300 nan 0.000 0.484 34 A N 0.151 122.915 122.820 -0.093 0.000 2.710 34 A HA 0.222 4.558 4.320 0.026 0.000 0.212 34 A C 0.525 177.835 177.584 -0.456 0.000 1.358 34 A CA 0.399 52.161 52.037 -0.458 0.000 1.048 34 A CB -0.197 18.102 19.000 -1.168 0.000 1.345 34 A HN 0.729 nan 8.150 nan 0.000 0.583 35 S N 0.674 116.208 115.700 -0.277 0.000 3.405 35 S HA -0.154 4.332 4.470 0.026 0.000 0.373 35 S C 0.042 174.575 174.600 -0.112 0.000 0.939 35 S CA 0.460 58.553 58.200 -0.179 0.000 1.295 35 S CB -1.506 61.590 63.200 -0.173 0.000 0.919 35 S HN 0.454 nan 8.310 nan 0.000 0.535 36 W N 2.054 123.337 121.300 -0.028 0.000 2.137 36 W HA 0.234 4.910 4.660 0.026 0.000 0.344 36 W C 1.388 177.888 176.519 -0.031 0.000 1.286 36 W CA -0.526 56.808 57.345 -0.018 0.000 1.240 36 W CB 0.256 29.706 29.460 -0.017 0.000 1.141 36 W HN 0.372 nan 8.180 nan 0.000 0.579 37 R N 1.783 122.412 120.500 0.214 0.000 2.577 37 R HA 0.082 4.438 4.340 0.026 0.000 0.344 37 R C -0.090 176.266 176.300 0.095 0.000 1.037 37 R CA -0.118 56.048 56.100 0.110 0.000 1.102 37 R CB -0.134 30.198 30.300 0.055 0.000 1.313 37 R HN 0.362 nan 8.270 nan 0.000 0.561 38 N N 0.131 118.904 118.700 0.123 0.000 2.454 38 N HA 0.121 4.877 4.740 0.026 0.000 0.291 38 N C -0.166 175.322 175.510 -0.037 0.000 1.079 38 N CA -0.008 53.064 53.050 0.037 0.000 0.893 38 N CB 1.850 40.361 38.487 0.039 0.000 1.512 38 N HN -0.259 nan 8.380 nan 0.000 0.497 39 S N 2.367 118.023 115.700 -0.073 0.000 2.402 39 S HA -0.147 4.339 4.470 0.026 0.000 0.229 39 S C 1.406 175.845 174.600 -0.269 0.000 1.021 39 S CA 1.011 59.124 58.200 -0.144 0.000 0.974 39 S CB -0.005 63.143 63.200 -0.087 0.000 0.800 39 S HN 0.769 nan 8.310 nan 0.000 0.484 40 E N 1.845 121.906 120.200 -0.232 0.000 2.153 40 E HA -0.152 4.213 4.350 0.026 0.000 0.194 40 E C 1.701 178.078 176.600 -0.372 0.000 0.988 40 E CA 1.321 57.541 56.400 -0.299 0.000 0.811 40 E CB -0.219 29.360 29.700 -0.202 0.000 0.746 40 E HN 0.580 nan 8.360 nan 0.000 0.466 41 E N -0.256 119.729 120.200 -0.358 0.000 2.106 41 E HA -0.133 4.233 4.350 0.026 0.000 0.192 41 E C 1.988 177.967 176.600 -1.034 0.000 0.984 41 E CA 0.952 57.075 56.400 -0.462 0.000 0.806 41 E CB -0.184 29.368 29.700 -0.247 0.000 0.750 41 E HN 0.409 nan 8.360 nan 0.000 0.458 42 A N 1.411 123.425 122.820 -1.342 0.000 1.969 42 A HA -0.183 4.153 4.320 0.026 0.000 0.218 42 A C 2.073 179.059 177.584 -0.997 0.000 1.169 42 A CA 1.281 52.182 52.037 -1.892 0.000 0.635 42 A CB -0.386 18.035 19.000 -0.965 0.000 0.810 42 A HN 0.075 nan 8.150 nan 0.000 0.445 43 R N -0.079 120.018 120.500 -0.672 0.000 2.081 43 R HA -0.125 4.231 4.340 0.026 0.000 0.235 43 R C 1.832 177.872 176.300 -0.434 0.000 1.131 43 R CA 2.025 57.787 56.100 -0.563 0.000 0.960 43 R CB -0.364 29.473 30.300 -0.771 0.000 0.856 43 R HN 0.602 nan 8.270 nan 0.000 0.436 44 T N -2.905 111.403 114.554 -0.409 0.000 3.086 44 T HA 0.077 4.443 4.350 0.026 0.000 0.250 44 T C 0.154 174.764 174.700 -0.151 0.000 1.074 44 T CA 0.377 62.328 62.100 -0.248 0.000 0.988 44 T CB 0.158 68.906 68.868 -0.201 0.000 0.988 44 T HN 0.329 nan 8.240 nan 0.000 0.530 45 D N 0.822 121.095 120.400 -0.212 0.000 2.800 45 D HA -0.151 4.505 4.640 0.026 0.000 0.232 45 D C -0.023 176.398 176.300 0.202 0.000 1.137 45 D CA 0.420 54.455 54.000 0.059 0.000 0.718 45 D CB -1.221 39.656 40.800 0.128 0.000 1.084 45 D HN 0.590 nan 8.370 nan 0.000 0.432 46 R N 0.122 120.709 120.500 0.145 0.000 2.577 46 R HA 0.550 4.906 4.340 0.026 0.000 0.269 46 R C -2.108 174.449 176.300 0.429 0.000 1.084 46 R CA -1.414 54.815 56.100 0.214 0.000 1.163 46 R CB 0.346 30.710 30.300 0.107 0.000 1.100 46 R HN 0.036 nan 8.270 nan 0.000 0.547 47 P HA -0.062 nan 4.420 nan 0.000 0.266 47 P C -0.895 176.565 177.300 0.267 0.000 1.195 47 P CA 0.362 63.600 63.100 0.231 0.000 0.768 47 P CB 0.788 32.575 31.700 0.145 0.000 0.838 48 S N 1.814 117.562 115.700 0.079 0.000 2.451 48 S HA 0.119 4.604 4.470 0.026 0.000 0.301 48 S C 1.032 175.647 174.600 0.025 0.000 1.116 48 S CA -0.575 57.598 58.200 -0.044 0.000 1.093 48 S CB 0.491 63.339 63.200 -0.586 0.000 1.017 48 S HN 0.274 nan 8.310 nan 0.000 0.482 49 Q N 2.755 122.606 119.800 0.085 0.000 2.364 49 Q HA -0.096 4.260 4.340 0.026 0.000 0.209 49 Q C 0.893 177.006 176.000 0.188 0.000 0.977 49 Q CA 1.162 57.045 55.803 0.133 0.000 0.885 49 Q CB -0.079 28.739 28.738 0.134 0.000 0.941 49 Q HN 0.712 nan 8.270 nan 0.000 0.464 50 Q N -0.030 119.801 119.800 0.051 0.000 2.444 50 Q HA 0.087 4.443 4.340 0.026 0.000 0.206 50 Q C -0.127 175.924 176.000 0.085 0.000 0.948 50 Q CA 0.231 56.016 55.803 -0.031 0.000 0.946 50 Q CB 0.363 28.995 28.738 -0.177 0.000 1.027 50 Q HN 0.078 nan 8.270 nan 0.000 0.513 51 L N 0.571 121.852 121.223 0.096 0.000 2.388 51 L HA 0.442 4.798 4.340 0.026 0.000 0.267 51 L C -1.195 175.755 176.870 0.132 0.000 0.995 51 L CA -0.366 54.531 54.840 0.094 0.000 0.864 51 L CB 1.014 43.043 42.059 -0.051 0.000 1.216 51 L HN -0.137 nan 8.230 nan 0.000 0.430 52 R N 2.398 123.010 120.500 0.186 0.000 2.604 52 R HA 0.645 5.001 4.340 0.026 0.000 0.287 52 R C -0.590 175.729 176.300 0.032 0.000 0.970 52 R CA -0.751 55.406 56.100 0.095 0.000 0.946 52 R CB 2.025 32.342 30.300 0.030 0.000 1.127 52 R HN 0.650 nan 8.270 nan 0.000 0.473 53 S N 1.820 117.528 115.700 0.013 0.000 2.508 53 S HA 0.301 4.787 4.470 0.026 0.000 0.284 53 S C 0.556 175.148 174.600 -0.013 0.000 1.192 53 S CA -0.691 57.508 58.200 -0.001 0.000 1.070 53 S CB 0.609 63.820 63.200 0.019 0.000 1.004 53 S HN 0.563 nan 8.310 nan 0.000 0.493 54 L N 3.450 124.663 121.223 -0.017 0.000 2.700 54 L HA 0.292 4.648 4.340 0.026 0.000 0.234 54 L C 0.211 177.222 176.870 0.235 0.000 1.156 54 L CA -0.325 54.525 54.840 0.018 0.000 0.946 54 L CB -0.345 41.658 42.059 -0.093 0.000 1.216 54 L HN 0.523 nan 8.230 nan 0.000 0.493 55 N N 1.054 119.842 118.700 0.146 0.000 2.415 55 N HA 0.472 5.228 4.740 0.026 0.000 0.248 55 N C 0.684 176.325 175.510 0.219 0.000 1.271 55 N CA 1.047 54.194 53.050 0.162 0.000 0.913 55 N CB 1.186 39.700 38.487 0.046 0.000 1.129 55 N HN 0.277 nan 8.380 nan 0.000 0.444 56 G N 0.290 109.234 108.800 0.239 0.000 2.225 56 G HA2 -0.100 3.876 3.960 0.026 0.000 0.203 56 G HA3 -0.100 3.876 3.960 0.026 0.000 0.203 56 G C -1.509 173.592 174.900 0.336 0.000 1.335 56 G CA -0.781 44.449 45.100 0.217 0.000 1.183 56 G HN 0.483 nan 8.290 nan 0.000 0.488 57 E N 0.242 120.610 120.200 0.280 0.000 2.152 57 E HA 0.463 4.829 4.350 0.026 0.000 0.285 57 E C -0.937 175.898 176.600 0.390 0.000 1.043 57 E CA -0.203 56.378 56.400 0.300 0.000 0.839 57 E CB 0.951 30.750 29.700 0.165 0.000 1.069 57 E HN 0.358 nan 8.360 nan 0.000 0.399 58 W N 1.750 123.137 121.300 0.145 0.000 2.804 58 W HA 0.408 5.084 4.660 0.027 0.000 0.352 58 W C 0.208 176.855 176.519 0.213 0.000 1.153 58 W CA -0.748 56.716 57.345 0.198 0.000 1.119 58 W CB 0.791 30.426 29.460 0.291 0.000 1.448 58 W HN 0.171 nan 8.180 nan 0.000 0.600 59 R N 1.583 122.365 120.500 0.470 0.000 2.407 59 R HA 0.555 4.911 4.340 0.026 0.000 0.303 59 R C -1.485 175.070 176.300 0.424 0.000 0.981 59 R CA -0.905 55.408 56.100 0.356 0.000 0.905 59 R CB 0.978 31.437 30.300 0.265 0.000 1.099 59 R HN 0.497 nan 8.270 nan 0.000 0.459 60 F N 0.621 120.615 119.950 0.072 0.000 2.596 60 F HA 0.635 5.178 4.527 0.026 0.000 0.311 60 F C -1.578 174.052 175.800 -0.284 0.000 1.116 60 F CA -0.574 57.320 58.000 -0.177 0.000 0.957 60 F CB 1.912 40.705 39.000 -0.347 0.000 1.250 60 F HN 0.611 nan 8.300 nan 0.000 0.444 61 A N 4.534 126.600 122.820 -1.257 0.000 2.449 61 A HA 0.612 4.948 4.320 0.026 0.000 0.302 61 A C -2.410 174.179 177.584 -1.658 0.000 1.048 61 A CA -0.561 50.789 52.037 -1.144 0.000 0.708 61 A CB 0.866 19.469 19.000 -0.660 0.000 1.274 61 A HN 0.955 nan 8.150 nan 0.000 0.410 62 W N 2.265 122.651 121.300 -1.525 0.000 2.469 62 W HA 0.751 5.426 4.660 0.026 0.000 0.320 62 W C -1.765 174.072 176.519 -1.137 0.000 1.086 62 W CA -0.348 56.255 57.345 -1.237 0.000 1.211 62 W CB 1.094 30.122 29.460 -0.720 0.000 1.298 62 W HN 0.504 nan 8.180 nan 0.000 0.525 63 F N 5.821 125.050 119.950 -1.203 0.000 2.599 63 F HA 0.368 4.911 4.527 0.026 0.000 0.311 63 F C -1.311 173.586 175.800 -1.505 0.000 1.076 63 F CA -2.064 55.376 58.000 -0.934 0.000 0.937 63 F CB 2.095 40.703 39.000 -0.652 0.000 1.282 63 F HN 0.198 nan 8.300 nan 0.000 0.460 64 P HA 0.132 nan 4.420 nan 0.000 0.231 64 P C -0.441 176.715 177.300 -0.240 0.000 1.168 64 P CA 0.766 63.588 63.100 -0.464 0.000 0.779 64 P CB 0.732 32.453 31.700 0.034 0.000 0.844 65 A N -0.525 122.166 122.820 -0.217 0.000 2.599 65 A HA 0.505 4.841 4.320 0.026 0.000 0.294 65 A C -2.434 175.040 177.584 -0.183 0.000 1.055 65 A CA -0.985 50.975 52.037 -0.130 0.000 0.683 65 A CB 0.444 19.432 19.000 -0.019 0.000 1.278 65 A HN -0.300 nan 8.150 nan 0.000 0.412 66 P HA -0.139 nan 4.420 nan 0.000 0.218 66 P C 0.748 177.954 177.300 -0.157 0.000 1.148 66 P CA 1.550 64.525 63.100 -0.208 0.000 0.822 66 P CB 0.255 31.812 31.700 -0.238 0.000 0.784 67 E N -0.250 119.908 120.200 -0.069 0.000 2.338 67 E HA -0.027 4.339 4.350 0.026 0.000 0.197 67 E C 1.921 178.439 176.600 -0.137 0.000 1.007 67 E CA 1.051 57.416 56.400 -0.058 0.000 0.849 67 E CB -0.754 28.945 29.700 -0.003 0.000 0.774 67 E HN 0.245 nan 8.360 nan 0.000 0.506 68 A N 0.165 122.861 122.820 -0.207 0.000 2.275 68 A HA 0.138 4.474 4.320 0.026 0.000 0.212 68 A C 0.556 177.789 177.584 -0.584 0.000 1.201 68 A CA -0.214 51.673 52.037 -0.250 0.000 0.843 68 A CB 0.375 19.310 19.000 -0.109 0.000 0.873 68 A HN 0.023 nan 8.150 nan 0.000 0.492 69 V N 2.855 122.351 119.914 -0.695 0.000 2.508 69 V HA 0.207 4.343 4.120 0.026 0.000 0.281 69 V C -2.148 173.588 176.094 -0.596 0.000 1.041 69 V CA -1.395 60.270 62.300 -1.060 0.000 1.016 69 V CB 0.662 31.947 31.823 -0.897 0.000 0.984 69 V HN 0.312 nan 8.190 nan 0.000 0.478 70 P HA 0.245 nan 4.420 nan 0.000 0.275 70 P C 0.406 177.632 177.300 -0.123 0.000 1.227 70 P CA -0.335 62.626 63.100 -0.233 0.000 0.781 70 P CB 1.067 32.687 31.700 -0.134 0.000 0.906 71 E N 0.983 121.133 120.200 -0.084 0.000 2.265 71 E HA -0.167 4.199 4.350 0.026 0.000 0.196 71 E C 1.879 178.457 176.600 -0.037 0.000 0.996 71 E CA 1.547 57.909 56.400 -0.063 0.000 0.832 71 E CB -0.353 29.313 29.700 -0.056 0.000 0.756 71 E HN 0.540 nan 8.360 nan 0.000 0.491 72 S N -0.469 115.227 115.700 -0.007 0.000 2.400 72 S HA -0.233 4.252 4.470 0.026 0.000 0.232 72 S C 1.869 176.492 174.600 0.039 0.000 1.025 72 S CA 0.980 59.186 58.200 0.010 0.000 0.993 72 S CB -0.785 62.432 63.200 0.027 0.000 0.808 72 S HN 0.598 nan 8.310 nan 0.000 0.478 73 W N 2.237 123.447 121.300 -0.151 0.000 2.392 73 W HA 0.076 4.752 4.660 0.026 0.000 0.279 73 W C 1.641 178.049 176.519 -0.185 0.000 1.225 73 W CA 0.897 58.152 57.345 -0.149 0.000 1.233 73 W CB -0.289 29.064 29.460 -0.180 0.000 1.122 73 W HN 0.275 nan 8.180 nan 0.000 0.561 74 L N 0.191 121.207 121.223 -0.344 0.000 2.141 74 L HA -0.148 4.208 4.340 0.026 0.000 0.209 74 L C 2.117 178.747 176.870 -0.399 0.000 1.094 74 L CA 1.692 56.162 54.840 -0.617 0.000 0.763 74 L CB -0.626 41.102 42.059 -0.551 0.000 0.908 74 L HN -0.047 nan 8.230 nan 0.000 0.437 75 E N -1.939 118.120 120.200 -0.235 0.000 2.389 75 E HA 0.049 4.415 4.350 0.026 0.000 0.199 75 E C -0.160 176.368 176.600 -0.121 0.000 0.978 75 E CA -0.005 56.309 56.400 -0.143 0.000 0.912 75 E CB 0.801 30.453 29.700 -0.080 0.000 0.907 75 E HN 0.303 nan 8.360 nan 0.000 0.494 76 C N 0.081 119.310 119.300 -0.119 0.000 2.888 76 C HA 0.394 4.870 4.460 0.026 0.000 0.308 76 C C -1.020 173.955 174.990 -0.025 0.000 1.213 76 C CA -1.142 57.839 59.018 -0.062 0.000 1.461 76 C CB 1.037 28.763 27.740 -0.023 0.000 1.934 76 C HN 0.332 nan 8.230 nan 0.000 0.474 77 D N 2.207 122.610 120.400 0.005 0.000 2.472 77 D HA 0.256 4.911 4.640 0.026 0.000 0.237 77 D C -0.344 176.033 176.300 0.129 0.000 1.141 77 D CA 0.505 54.551 54.000 0.077 0.000 0.875 77 D CB 0.597 41.434 40.800 0.062 0.000 1.192 77 D HN 0.532 nan 8.370 nan 0.000 0.450 78 L N 5.545 126.896 121.223 0.214 0.000 2.331 78 L HA 0.244 4.599 4.340 0.026 0.000 0.278 78 L C -1.295 175.640 176.870 0.109 0.000 1.106 78 L CA -1.450 53.492 54.840 0.171 0.000 0.824 78 L CB 1.249 43.419 42.059 0.185 0.000 1.142 78 L HN 0.520 nan 8.230 nan 0.000 0.443 79 P HA -0.135 nan 4.420 nan 0.000 0.218 79 P C 0.658 177.989 177.300 0.052 0.000 1.149 79 P CA 0.975 64.110 63.100 0.059 0.000 0.817 79 P CB 0.249 31.975 31.700 0.045 0.000 0.785 80 E N -0.262 119.966 120.200 0.047 0.000 2.427 80 E HA 0.127 4.493 4.350 0.026 0.000 0.196 80 E C 1.002 177.615 176.600 0.023 0.000 1.028 80 E CA 0.109 56.526 56.400 0.027 0.000 0.864 80 E CB -0.782 28.921 29.700 0.005 0.000 0.813 80 E HN 0.175 nan 8.360 nan 0.000 0.514 81 A N 1.333 124.176 122.820 0.038 0.000 2.492 81 A HA 0.085 4.420 4.320 0.026 0.000 0.236 81 A C 0.051 177.690 177.584 0.092 0.000 1.078 81 A CA -0.050 52.012 52.037 0.041 0.000 0.773 81 A CB 0.268 19.322 19.000 0.090 0.000 1.023 81 A HN -0.022 nan 8.150 nan 0.000 0.504 82 D N -0.473 120.015 120.400 0.147 0.000 2.384 82 D HA 0.513 5.169 4.640 0.026 0.000 0.250 82 D C -0.536 175.877 176.300 0.188 0.000 1.029 82 D CA -0.010 54.091 54.000 0.170 0.000 0.990 82 D CB 1.293 42.240 40.800 0.245 0.000 1.175 82 D HN 0.407 nan 8.370 nan 0.000 0.532 83 T N 0.511 115.156 114.554 0.151 0.000 2.767 83 T HA 0.509 4.874 4.350 0.026 0.000 0.288 83 T C 0.131 174.920 174.700 0.148 0.000 0.963 83 T CA -0.526 61.671 62.100 0.162 0.000 1.019 83 T CB 0.676 69.614 68.868 0.117 0.000 0.923 83 T HN 0.262 nan 8.240 nan 0.000 0.468 84 V N 1.220 121.250 119.914 0.194 0.000 3.160 84 V HA 0.798 4.933 4.120 0.026 0.000 0.310 84 V C -0.291 175.909 176.094 0.177 0.000 1.181 84 V CA -1.061 61.304 62.300 0.110 0.000 1.047 84 V CB 1.603 33.503 31.823 0.128 0.000 1.068 84 V HN 0.509 nan 8.190 nan 0.000 0.441 85 V N 1.423 121.412 119.914 0.125 0.000 2.649 85 V HA 0.558 4.694 4.120 0.026 0.000 0.292 85 V C -0.063 176.110 176.094 0.132 0.000 1.055 85 V CA -0.069 62.314 62.300 0.139 0.000 1.023 85 V CB 1.473 33.338 31.823 0.069 0.000 0.992 85 V HN 0.752 nan 8.190 nan 0.000 0.480 86 V N 6.587 126.501 119.914 0.000 0.000 2.638 86 V HA 0.448 4.584 4.120 0.026 0.000 0.306 86 V C -2.356 173.622 176.094 -0.192 0.000 1.052 86 V CA -1.635 60.518 62.300 -0.245 0.000 0.885 86 V CB 2.464 33.767 31.823 -0.867 0.000 0.999 86 V HN 0.760 nan 8.190 nan 0.000 0.424 87 P HA 0.474 nan 4.420 nan 0.000 0.277 87 P C -0.786 176.435 177.300 -0.133 0.000 1.240 87 P CA -0.116 62.852 63.100 -0.220 0.000 0.798 87 P CB 1.361 32.946 31.700 -0.192 0.000 0.979 88 S N 0.169 115.799 115.700 -0.117 0.000 2.615 88 S HA 0.402 4.888 4.470 0.026 0.000 0.268 88 S C -1.256 173.257 174.600 -0.144 0.000 1.146 88 S CA -1.038 57.075 58.200 -0.146 0.000 0.818 88 S CB 0.439 63.493 63.200 -0.244 0.000 1.111 88 S HN 0.346 nan 8.310 nan 0.000 0.465 89 N N 0.994 119.546 118.700 -0.245 0.000 2.425 89 N HA 0.420 5.176 4.740 0.026 0.000 0.268 89 N C 0.612 175.936 175.510 -0.311 0.000 0.991 89 N CA -0.844 52.041 53.050 -0.275 0.000 0.931 89 N CB 0.671 38.972 38.487 -0.311 0.000 1.130 89 N HN 0.857 nan 8.380 nan 0.000 0.493 90 W N 2.538 123.708 121.300 -0.217 0.000 2.364 90 W HA -0.148 4.528 4.660 0.027 0.000 0.281 90 W C 1.044 177.533 176.519 -0.050 0.000 1.219 90 W CA 0.793 58.014 57.345 -0.208 0.000 1.220 90 W CB -0.386 28.987 29.460 -0.145 0.000 1.127 90 W HN 0.502 nan 8.180 nan 0.000 0.556 91 Q N 0.386 120.160 119.800 -0.044 0.000 2.170 91 Q HA -0.146 4.210 4.340 0.026 0.000 0.203 91 Q C 2.178 178.117 176.000 -0.101 0.000 0.976 91 Q CA 1.908 57.681 55.803 -0.051 0.000 0.858 91 Q CB -0.631 27.962 28.738 -0.243 0.000 0.907 91 Q HN 0.260 nan 8.270 nan 0.000 0.433 92 M N -0.840 118.662 119.600 -0.163 0.000 2.476 92 M HA -0.070 4.426 4.480 0.026 0.000 0.262 92 M C 0.835 177.188 176.300 0.089 0.000 1.079 92 M CA 1.460 56.695 55.300 -0.109 0.000 1.104 92 M CB -0.667 31.845 32.600 -0.146 0.000 1.409 92 M HN 0.387 nan 8.290 nan 0.000 0.467 93 H N -1.167 117.909 119.070 0.010 0.000 2.551 93 H HA 0.299 4.870 4.556 0.027 0.000 0.271 93 H C 1.267 176.472 175.328 -0.204 0.000 0.984 93 H CA 0.134 56.160 56.048 -0.036 0.000 1.164 93 H CB 0.418 30.238 29.762 0.096 0.000 1.437 93 H HN 0.545 nan 8.280 nan 0.000 0.550 94 G N 0.534 109.328 108.800 -0.010 0.000 2.157 94 G HA2 -0.346 3.630 3.960 0.026 0.000 0.239 94 G HA3 -0.346 3.630 3.960 0.026 0.000 0.239 94 G C 0.368 175.140 174.900 -0.213 0.000 0.982 94 G CA 0.200 45.226 45.100 -0.124 0.000 0.650 94 G HN 0.467 nan 8.290 nan 0.000 0.527 95 Y N 1.594 121.900 120.300 0.009 0.000 2.373 95 Y HA 0.295 4.861 4.550 0.026 0.000 0.293 95 Y C 1.588 177.265 175.900 -0.372 0.000 1.129 95 Y CA 1.413 59.400 58.100 -0.189 0.000 1.226 95 Y CB 0.299 38.715 38.460 -0.074 0.000 1.000 95 Y HN 0.629 nan 8.280 nan 0.000 0.549 96 D N -1.799 118.673 120.400 0.120 0.000 2.665 96 D HA 0.466 5.121 4.640 0.026 0.000 0.287 96 D C -1.219 175.169 176.300 0.147 0.000 1.266 96 D CA -0.882 53.189 54.000 0.118 0.000 0.830 96 D CB 0.736 41.728 40.800 0.320 0.000 1.356 96 D HN -0.077 nan 8.370 nan 0.000 0.437 97 A N 0.209 123.125 122.820 0.159 0.000 2.327 97 A HA 0.689 5.024 4.320 0.026 0.000 0.283 97 A C -2.293 175.330 177.584 0.065 0.000 1.127 97 A CA -1.139 50.970 52.037 0.120 0.000 0.810 97 A CB 0.109 19.240 19.000 0.218 0.000 1.066 97 A HN 0.546 nan 8.150 nan 0.000 0.492 98 P HA 0.456 nan 4.420 nan 0.000 0.278 98 P C -0.913 176.547 177.300 0.266 0.000 1.238 98 P CA 0.029 63.076 63.100 -0.089 0.000 0.794 98 P CB 0.896 32.286 31.700 -0.516 0.000 0.955 99 I N 2.351 123.180 120.570 0.431 0.000 2.465 99 I HA 0.268 4.454 4.170 0.026 0.000 0.291 99 I C -0.623 175.704 176.117 0.350 0.000 1.014 99 I CA -1.028 60.528 61.300 0.426 0.000 1.093 99 I CB 1.827 40.010 38.000 0.305 0.000 1.267 99 I HN 0.298 nan 8.210 nan 0.000 0.431 100 Y N 5.991 126.243 120.300 -0.080 0.000 2.402 100 Y HA 0.556 5.121 4.550 0.026 0.000 0.332 100 Y C -0.454 175.305 175.900 -0.234 0.000 0.960 100 Y CA -0.637 57.147 58.100 -0.526 0.000 1.228 100 Y CB 1.213 38.880 38.460 -1.321 0.000 1.120 100 Y HN 0.536 nan 8.280 nan 0.000 0.491 101 T N 5.325 119.404 114.554 -0.792 0.000 2.886 101 T HA 0.256 4.621 4.350 0.026 0.000 0.292 101 T C 0.208 174.482 174.700 -0.711 0.000 1.012 101 T CA -0.594 61.057 62.100 -0.747 0.000 0.982 101 T CB 1.076 69.743 68.868 -0.334 0.000 1.018 101 T HN 0.775 nan 8.240 nan 0.000 0.451 102 N N 3.009 121.327 118.700 -0.637 0.000 2.202 102 N HA 0.021 4.777 4.740 0.026 0.000 0.191 102 N C 1.543 176.838 175.510 -0.357 0.000 1.054 102 N CA 1.746 54.594 53.050 -0.337 0.000 0.877 102 N CB -0.629 37.705 38.487 -0.255 0.000 1.057 102 N HN 0.396 nan 8.380 nan 0.000 0.456 103 V N 0.164 119.789 119.914 -0.482 0.000 2.492 103 V HA 0.114 4.250 4.120 0.026 0.000 0.241 103 V C 0.432 176.245 176.094 -0.468 0.000 1.041 103 V CA 0.870 62.806 62.300 -0.608 0.000 1.057 103 V CB -0.739 30.609 31.823 -0.791 0.000 0.711 103 V HN 0.319 nan 8.190 nan 0.000 0.468 104 T N 1.141 115.484 114.554 -0.352 0.000 2.871 104 T HA 0.124 4.490 4.350 0.026 0.000 0.296 104 T C -0.341 174.252 174.700 -0.178 0.000 0.998 104 T CA 0.278 62.244 62.100 -0.223 0.000 1.162 104 T CB -0.257 68.504 68.868 -0.180 0.000 0.947 104 T HN 0.185 nan 8.240 nan 0.000 0.536 105 Y N 4.729 124.948 120.300 -0.136 0.000 2.578 105 Y HA 0.105 4.671 4.550 0.026 0.000 0.339 105 Y C -0.746 175.040 175.900 -0.190 0.000 1.231 105 Y CA -1.665 56.346 58.100 -0.148 0.000 1.461 105 Y CB 0.443 38.816 38.460 -0.145 0.000 1.323 105 Y HN 0.521 nan 8.280 nan 0.000 0.590 106 P HA -0.010 nan 4.420 nan 0.000 0.245 106 P C -0.344 176.740 177.300 -0.360 0.000 1.212 106 P CA 1.068 64.073 63.100 -0.159 0.000 0.774 106 P CB 0.003 31.647 31.700 -0.094 0.000 0.999 107 I N -5.025 115.306 120.570 -0.398 0.000 2.892 107 I HA 0.482 4.668 4.170 0.026 0.000 0.306 107 I C -0.564 175.422 176.117 -0.218 0.000 1.078 107 I CA -1.191 59.839 61.300 -0.451 0.000 1.032 107 I CB 1.905 39.465 38.000 -0.734 0.000 1.229 107 I HN -0.448 nan 8.210 nan 0.000 0.435 108 T N 3.105 117.577 114.554 -0.137 0.000 2.946 108 T HA 0.113 4.478 4.350 0.026 0.000 0.312 108 T C 0.238 174.928 174.700 -0.017 0.000 1.066 108 T CA -0.181 61.890 62.100 -0.048 0.000 1.138 108 T CB 0.597 69.459 68.868 -0.011 0.000 1.014 108 T HN 0.391 nan 8.240 nan 0.000 0.544 109 V N 4.646 124.568 119.914 0.013 0.000 2.370 109 V HA 0.266 4.402 4.120 0.026 0.000 0.257 109 V C 0.645 176.785 176.094 0.078 0.000 1.064 109 V CA -0.203 62.123 62.300 0.044 0.000 0.975 109 V CB -0.060 31.776 31.823 0.022 0.000 1.067 109 V HN 0.890 nan 8.190 nan 0.000 0.485 110 N N 5.927 124.727 118.700 0.167 0.000 2.679 110 N HA 0.234 4.990 4.740 0.026 0.000 0.240 110 N C -2.970 172.636 175.510 0.160 0.000 1.537 110 N CA -1.063 52.083 53.050 0.161 0.000 0.793 110 N CB 1.489 40.109 38.487 0.222 0.000 1.391 110 N HN 0.272 nan 8.380 nan 0.000 0.524 111 P HA 0.215 nan 4.420 nan 0.000 0.268 111 P C -2.266 174.811 177.300 -0.372 0.000 1.205 111 P CA -0.723 62.026 63.100 -0.585 0.000 0.771 111 P CB 0.549 31.724 31.700 -0.874 0.000 0.858 112 P HA 0.229 nan 4.420 nan 0.000 0.259 112 P C -0.373 176.815 177.300 -0.187 0.000 1.530 112 P CA -0.305 62.601 63.100 -0.324 0.000 1.022 112 P CB -0.052 31.434 31.700 -0.358 0.000 1.514 113 F N 0.984 121.054 119.950 0.201 0.000 2.380 113 F HA 0.295 4.838 4.527 0.027 0.000 0.325 113 F C 1.396 177.364 175.800 0.281 0.000 1.136 113 F CA -0.624 57.496 58.000 0.200 0.000 1.171 113 F CB 0.874 39.941 39.000 0.112 0.000 1.230 113 F HN -0.192 nan 8.300 nan 0.000 0.554 114 V N -0.926 119.263 119.914 0.457 0.000 3.126 114 V HA 0.687 4.823 4.120 0.026 0.000 0.314 114 V C -2.828 173.425 176.094 0.266 0.000 1.138 114 V CA -2.867 59.621 62.300 0.313 0.000 1.034 114 V CB 1.400 33.455 31.823 0.386 0.000 1.075 114 V HN 0.470 nan 8.190 nan 0.000 0.442 115 P HA 0.227 nan 4.420 nan 0.000 0.269 115 P C 1.030 178.461 177.300 0.218 0.000 1.215 115 P CA 0.483 63.674 63.100 0.152 0.000 0.780 115 P CB 0.556 32.314 31.700 0.097 0.000 0.898 116 T N -1.966 112.688 114.554 0.165 0.000 2.904 116 T HA -0.081 4.284 4.350 0.026 0.000 0.267 116 T C 0.505 175.305 174.700 0.168 0.000 1.059 116 T CA 0.807 63.010 62.100 0.172 0.000 1.137 116 T CB -0.584 68.352 68.868 0.115 0.000 0.879 116 T HN 0.373 nan 8.240 nan 0.000 0.467 117 E N 2.591 122.889 120.200 0.163 0.000 1.932 117 E HA 0.274 4.640 4.350 0.026 0.000 0.275 117 E C -0.727 176.014 176.600 0.235 0.000 1.159 117 E CA -0.383 56.117 56.400 0.167 0.000 0.905 117 E CB 0.150 29.954 29.700 0.173 0.000 1.059 117 E HN 0.241 nan 8.360 nan 0.000 0.400 118 N N 4.528 123.342 118.700 0.191 0.000 2.569 118 N HA 0.247 5.003 4.740 0.026 0.000 0.254 118 N C -2.830 172.701 175.510 0.035 0.000 1.004 118 N CA -2.594 50.605 53.050 0.248 0.000 0.904 118 N CB 1.095 39.721 38.487 0.231 0.000 1.165 118 N HN 0.048 nan 8.380 nan 0.000 0.513 119 P HA 0.006 nan 4.420 nan 0.000 0.260 119 P C -0.866 176.310 177.300 -0.207 0.000 1.172 119 P CA 0.545 63.563 63.100 -0.137 0.000 0.760 119 P CB 0.352 32.280 31.700 0.379 0.000 0.773 120 T N 2.969 117.131 114.554 -0.653 0.000 2.809 120 T HA 0.550 4.916 4.350 0.026 0.000 0.284 120 T C 0.242 174.416 174.700 -0.876 0.000 0.992 120 T CA -0.567 61.226 62.100 -0.511 0.000 0.957 120 T CB 1.491 70.111 68.868 -0.413 0.000 0.942 120 T HN 0.327 nan 8.240 nan 0.000 0.439 121 G N 1.121 109.477 108.800 -0.740 0.000 2.384 121 G HA2 0.469 4.445 3.960 0.026 0.000 0.316 121 G HA3 0.469 4.445 3.960 0.026 0.000 0.316 121 G C -0.226 174.427 174.900 -0.410 0.000 1.160 121 G CA -0.357 44.179 45.100 -0.940 0.000 0.936 121 G HN 0.859 nan 8.290 nan 0.000 0.455 122 C N 3.447 122.288 119.300 -0.766 0.000 2.200 122 C HA 0.443 4.918 4.460 0.026 0.000 0.328 122 C C -0.498 174.463 174.990 -0.049 0.000 1.148 122 C CA -0.882 57.853 59.018 -0.471 0.000 1.624 122 C CB -1.897 25.207 27.740 -1.061 0.000 2.167 122 C HN 0.620 nan 8.230 nan 0.000 0.484 123 Y N 2.002 122.566 120.300 0.441 0.000 2.387 123 Y HA 0.631 5.197 4.550 0.027 0.000 0.330 123 Y C 0.794 177.124 175.900 0.718 0.000 1.133 123 Y CA -0.146 58.320 58.100 0.610 0.000 1.152 123 Y CB 1.489 40.308 38.460 0.598 0.000 1.215 123 Y HN 0.656 nan 8.280 nan 0.000 0.466 124 S N 2.259 118.426 115.700 0.778 0.000 2.579 124 S HA 0.822 5.308 4.470 0.026 0.000 0.272 124 S C -1.983 172.696 174.600 0.131 0.000 1.141 124 S CA -0.810 57.635 58.200 0.408 0.000 0.843 124 S CB 2.186 65.506 63.200 0.199 0.000 1.122 124 S HN 0.585 nan 8.310 nan 0.000 0.468 125 L N 0.867 121.983 121.223 -0.179 0.000 2.493 125 L HA 0.703 5.058 4.340 0.026 0.000 0.265 125 L C -1.060 175.748 176.870 -0.103 0.000 0.954 125 L CA 0.136 54.712 54.840 -0.440 0.000 0.844 125 L CB 2.218 43.529 42.059 -1.248 0.000 1.302 125 L HN 0.925 nan 8.230 nan 0.000 0.405 126 T N 5.703 120.228 114.554 -0.048 0.000 2.767 126 T HA 0.750 5.116 4.350 0.026 0.000 0.284 126 T C -0.805 173.935 174.700 0.067 0.000 0.973 126 T CA 0.031 62.136 62.100 0.009 0.000 0.996 126 T CB 0.249 69.092 68.868 -0.043 0.000 0.927 126 T HN 0.458 nan 8.240 nan 0.000 0.456 127 F N 1.027 120.879 119.950 -0.163 0.000 2.662 127 F HA 0.740 5.283 4.527 0.027 0.000 0.312 127 F C -0.804 174.916 175.800 -0.133 0.000 1.113 127 F CA -1.551 56.352 58.000 -0.162 0.000 0.951 127 F CB 1.342 40.221 39.000 -0.202 0.000 1.344 127 F HN 0.379 nan 8.300 nan 0.000 0.462 128 N N 0.314 118.945 118.700 -0.115 0.000 2.492 128 N HA 0.659 5.414 4.740 0.026 0.000 0.289 128 N C -1.951 173.431 175.510 -0.212 0.000 1.133 128 N CA -0.459 52.457 53.050 -0.223 0.000 0.961 128 N CB 1.985 40.393 38.487 -0.132 0.000 1.186 128 N HN 0.649 nan 8.380 nan 0.000 0.493 129 V N 2.027 121.789 119.914 -0.253 0.000 2.525 129 V HA 0.230 4.366 4.120 0.026 0.000 0.299 129 V C -0.560 175.425 176.094 -0.182 0.000 1.034 129 V CA -0.900 61.261 62.300 -0.231 0.000 0.863 129 V CB 1.272 33.016 31.823 -0.132 0.000 0.999 129 V HN 0.818 nan 8.190 nan 0.000 0.423 130 D N 2.495 122.751 120.400 -0.239 0.000 2.372 130 D HA 0.114 4.770 4.640 0.026 0.000 0.243 130 D C 1.167 177.479 176.300 0.021 0.000 1.121 130 D CA 0.030 53.969 54.000 -0.101 0.000 0.898 130 D CB 1.340 42.085 40.800 -0.092 0.000 1.202 130 D HN 0.683 nan 8.370 nan 0.000 0.428 131 E N 1.456 121.677 120.200 0.036 0.000 2.160 131 E HA -0.208 4.157 4.350 0.026 0.000 0.195 131 E C 1.698 178.369 176.600 0.119 0.000 0.991 131 E CA 1.728 58.170 56.400 0.069 0.000 0.810 131 E CB -0.298 29.426 29.700 0.040 0.000 0.742 131 E HN 0.457 nan 8.360 nan 0.000 0.466 132 S N -0.944 114.836 115.700 0.132 0.000 2.400 132 S HA -0.185 4.301 4.470 0.026 0.000 0.232 132 S C 1.804 176.495 174.600 0.150 0.000 1.025 132 S CA 1.096 59.373 58.200 0.129 0.000 0.993 132 S CB -0.919 62.353 63.200 0.120 0.000 0.808 132 S HN 0.424 nan 8.310 nan 0.000 0.478 133 W N 1.676 122.920 121.300 -0.092 0.000 2.467 133 W HA 0.338 5.014 4.660 0.026 0.000 0.275 133 W C 1.959 178.563 176.519 0.142 0.000 1.239 133 W CA 0.086 57.377 57.345 -0.089 0.000 1.266 133 W CB -0.399 29.075 29.460 0.023 0.000 1.112 133 W HN 0.314 nan 8.180 nan 0.000 0.576 134 L N -1.072 120.332 121.223 0.302 0.000 2.513 134 L HA 0.077 4.433 4.340 0.026 0.000 0.222 134 L C 2.126 179.086 176.870 0.150 0.000 1.096 134 L CA 0.369 55.340 54.840 0.218 0.000 0.857 134 L CB -0.680 41.477 42.059 0.162 0.000 1.026 134 L HN -0.125 nan 8.230 nan 0.000 0.469 135 Q N 0.258 120.135 119.800 0.128 0.000 2.167 135 Q HA -0.018 4.338 4.340 0.026 0.000 0.202 135 Q C 0.077 176.130 176.000 0.088 0.000 0.970 135 Q CA 1.044 56.900 55.803 0.087 0.000 0.855 135 Q CB 0.571 29.348 28.738 0.065 0.000 0.911 135 Q HN 0.289 nan 8.270 nan 0.000 0.438 136 E N -1.883 118.390 120.200 0.122 0.000 2.408 136 E HA 0.510 4.875 4.350 0.026 0.000 0.275 136 E C -0.336 176.367 176.600 0.171 0.000 0.935 136 E CA 0.113 56.580 56.400 0.112 0.000 0.775 136 E CB 1.691 31.446 29.700 0.092 0.000 1.277 136 E HN 0.243 nan 8.360 nan 0.000 0.455 137 G N 1.300 110.132 108.800 0.053 0.000 2.760 137 G HA2 -0.231 3.744 3.960 0.026 0.000 0.246 137 G HA3 -0.231 3.744 3.960 0.026 0.000 0.246 137 G C -0.655 174.140 174.900 -0.176 0.000 1.359 137 G CA -0.101 44.933 45.100 -0.110 0.000 0.861 137 G HN 0.511 nan 8.290 nan 0.000 0.541 138 Q N -0.469 119.075 119.800 -0.427 0.000 2.333 138 Q HA 0.648 5.004 4.340 0.026 0.000 0.267 138 Q C -0.844 174.995 176.000 -0.268 0.000 1.012 138 Q CA -0.494 55.165 55.803 -0.239 0.000 0.824 138 Q CB 1.471 30.110 28.738 -0.166 0.000 1.290 138 Q HN 0.619 nan 8.270 nan 0.000 0.449 139 T N 5.070 119.639 114.554 0.026 0.000 2.772 139 T HA 0.464 4.830 4.350 0.026 0.000 0.288 139 T C -0.596 174.218 174.700 0.190 0.000 0.994 139 T CA -0.637 61.587 62.100 0.207 0.000 0.951 139 T CB 0.506 69.636 68.868 0.437 0.000 0.933 139 T HN 0.640 nan 8.240 nan 0.000 0.447 140 R N 2.907 123.508 120.500 0.169 0.000 2.854 140 R HA 0.785 5.141 4.340 0.026 0.000 0.271 140 R C -1.096 175.300 176.300 0.159 0.000 0.996 140 R CA -0.971 55.224 56.100 0.157 0.000 0.961 140 R CB 1.503 31.870 30.300 0.111 0.000 1.182 140 R HN 0.565 nan 8.270 nan 0.000 0.479 141 I N 2.297 122.961 120.570 0.156 0.000 2.525 141 I HA 0.465 4.650 4.170 0.026 0.000 0.301 141 I C -1.077 175.073 176.117 0.054 0.000 0.992 141 I CA -1.272 60.064 61.300 0.061 0.000 1.162 141 I CB 1.397 39.427 38.000 0.049 0.000 1.332 141 I HN 0.632 nan 8.210 nan 0.000 0.458 142 I N 6.778 127.282 120.570 -0.109 0.000 2.499 142 I HA 0.287 4.472 4.170 0.026 0.000 0.288 142 I C -1.355 174.622 176.117 -0.233 0.000 1.048 142 I CA -0.324 60.938 61.300 -0.063 0.000 1.062 142 I CB 1.673 39.646 38.000 -0.044 0.000 1.238 142 I HN 0.379 nan 8.210 nan 0.000 0.426 143 F N 4.562 124.500 119.950 -0.019 0.000 2.308 143 F HA 0.272 4.815 4.527 0.026 0.000 0.370 143 F C 1.288 176.979 175.800 -0.182 0.000 1.100 143 F CA -0.456 57.465 58.000 -0.132 0.000 1.108 143 F CB 0.752 39.640 39.000 -0.186 0.000 1.293 143 F HN 0.462 nan 8.300 nan 0.000 0.478 144 D N 2.342 122.667 120.400 -0.124 0.000 2.263 144 D HA 0.024 4.680 4.640 0.026 0.000 0.208 144 D C 1.008 177.149 176.300 -0.264 0.000 0.971 144 D CA 0.916 54.796 54.000 -0.200 0.000 0.867 144 D CB 0.372 40.995 40.800 -0.296 0.000 0.929 144 D HN 0.618 nan 8.370 nan 0.000 0.492 145 G N -0.464 108.127 108.800 -0.349 0.000 2.505 145 G HA2 0.426 4.402 3.960 0.026 0.000 0.292 145 G HA3 0.426 4.402 3.960 0.026 0.000 0.292 145 G C -1.462 173.188 174.900 -0.417 0.000 1.332 145 G CA -0.440 44.349 45.100 -0.519 0.000 1.286 145 G HN -0.051 nan 8.290 nan 0.000 0.606 146 V N 2.569 122.435 119.914 -0.079 0.000 2.577 146 V HA 0.554 4.690 4.120 0.026 0.000 0.303 146 V C -0.838 175.340 176.094 0.140 0.000 1.042 146 V CA -1.170 61.087 62.300 -0.072 0.000 0.872 146 V CB 2.017 33.554 31.823 -0.476 0.000 0.998 146 V HN 0.701 nan 8.190 nan 0.000 0.423 147 N N 2.389 121.162 118.700 0.123 0.000 2.443 147 N HA 0.332 5.088 4.740 0.026 0.000 0.269 147 N C 0.568 176.012 175.510 -0.111 0.000 0.985 147 N CA 0.139 53.177 53.050 -0.021 0.000 0.921 147 N CB 2.214 40.542 38.487 -0.265 0.000 1.195 147 N HN 0.687 nan 8.380 nan 0.000 0.492 148 S N 1.857 117.528 115.700 -0.049 0.000 2.526 148 S HA 0.576 5.062 4.470 0.026 0.000 0.220 148 S C 0.343 174.999 174.600 0.094 0.000 1.017 148 S CA 0.049 58.270 58.200 0.035 0.000 0.930 148 S CB 0.352 63.588 63.200 0.059 0.000 0.856 148 S HN 0.655 nan 8.310 nan 0.000 0.497 149 A N 0.840 123.725 122.820 0.109 0.000 2.612 149 A HA 0.800 5.135 4.320 0.026 0.000 0.293 149 A C -1.309 176.359 177.584 0.140 0.000 1.075 149 A CA -0.987 51.075 52.037 0.042 0.000 0.680 149 A CB 0.883 19.933 19.000 0.084 0.000 1.279 149 A HN 1.106 nan 8.150 nan 0.000 0.411 150 F N -0.867 118.893 119.950 -0.316 0.000 2.719 150 F HA 0.711 5.254 4.527 0.026 0.000 0.309 150 F C -1.203 174.490 175.800 -0.179 0.000 1.138 150 F CA -0.823 57.094 58.000 -0.138 0.000 0.943 150 F CB 1.078 39.987 39.000 -0.152 0.000 1.304 150 F HN 0.634 nan 8.300 nan 0.000 0.445 151 H N 1.820 121.025 119.070 0.224 0.000 2.472 151 H HA 0.720 5.292 4.556 0.027 0.000 0.338 151 H C -1.463 173.829 175.328 -0.061 0.000 1.133 151 H CA -0.714 55.341 56.048 0.011 0.000 1.216 151 H CB 2.490 32.247 29.762 -0.009 0.000 1.497 151 H HN 0.749 nan 8.280 nan 0.000 0.500 152 L N 3.047 124.041 121.223 -0.383 0.000 2.386 152 L HA 0.413 4.768 4.340 0.026 0.000 0.271 152 L C -1.607 174.969 176.870 -0.490 0.000 0.993 152 L CA -0.540 54.155 54.840 -0.243 0.000 0.819 152 L CB 1.513 43.272 42.059 -0.500 0.000 1.294 152 L HN 0.533 nan 8.230 nan 0.000 0.414 153 W N 4.111 125.374 121.300 -0.062 0.000 2.864 153 W HA 0.634 5.310 4.660 0.027 0.000 0.343 153 W C -1.147 175.316 176.519 -0.094 0.000 1.109 153 W CA -0.794 56.504 57.345 -0.079 0.000 1.192 153 W CB 2.088 31.548 29.460 -0.001 0.000 1.426 153 W HN 0.627 nan 8.180 nan 0.000 0.529 154 C N 4.045 123.432 119.300 0.144 0.000 2.481 154 C HA 0.295 4.770 4.460 0.026 0.000 0.324 154 C C 0.171 175.286 174.990 0.208 0.000 1.170 154 C CA -0.393 58.708 59.018 0.138 0.000 1.361 154 C CB -0.312 27.450 27.740 0.036 0.000 1.977 154 C HN 0.809 nan 8.230 nan 0.000 0.459 155 N N 3.479 122.258 118.700 0.132 0.000 2.716 155 N HA -0.192 4.564 4.740 0.026 0.000 0.250 155 N C 1.020 176.594 175.510 0.106 0.000 1.033 155 N CA 2.094 55.196 53.050 0.087 0.000 0.727 155 N CB -1.234 37.309 38.487 0.094 0.000 0.950 155 N HN 1.880 nan 8.380 nan 0.000 0.541 156 G N -1.247 107.611 108.800 0.097 0.000 2.212 156 G HA2 -0.374 3.602 3.960 0.026 0.000 0.266 156 G HA3 -0.374 3.602 3.960 0.026 0.000 0.266 156 G C 0.156 175.227 174.900 0.286 0.000 0.978 156 G CA 0.697 45.854 45.100 0.095 0.000 0.632 156 G HN 0.557 nan 8.290 nan 0.000 0.537 157 R N -0.919 119.806 120.500 0.376 0.000 2.407 157 R HA 0.428 4.784 4.340 0.026 0.000 0.303 157 R C -0.250 176.374 176.300 0.539 0.000 0.981 157 R CA -0.825 55.566 56.100 0.486 0.000 0.905 157 R CB 1.126 31.714 30.300 0.480 0.000 1.099 157 R HN 0.215 nan 8.270 nan 0.000 0.459 158 W N 3.491 124.959 121.300 0.281 0.000 2.253 158 W HA 0.094 4.769 4.660 0.026 0.000 0.322 158 W C 0.095 176.539 176.519 -0.125 0.000 1.342 158 W CA 0.023 57.245 57.345 -0.205 0.000 1.218 158 W CB 0.704 30.003 29.460 -0.269 0.000 1.205 158 W HN 0.325 nan 8.180 nan 0.000 0.551 159 V N 5.217 124.425 119.914 -1.177 0.000 2.743 159 V HA 0.541 4.677 4.120 0.026 0.000 0.237 159 V C 1.034 176.142 176.094 -1.645 0.000 1.113 159 V CA 1.015 62.564 62.300 -1.252 0.000 1.141 159 V CB -0.347 30.731 31.823 -1.241 0.000 0.873 159 V HN 0.822 nan 8.190 nan 0.000 0.486 160 G N -1.756 105.835 108.800 -2.015 0.000 2.427 160 G HA2 0.468 4.444 3.960 0.026 0.000 0.306 160 G HA3 0.468 4.444 3.960 0.026 0.000 0.306 160 G C -2.431 171.985 174.900 -0.808 0.000 1.280 160 G CA -0.246 44.009 45.100 -1.407 0.000 0.837 160 G HN 0.014 nan 8.290 nan 0.000 0.482 161 Y N -0.531 119.495 120.300 -0.456 0.000 2.562 161 Y HA 0.713 5.279 4.550 0.026 0.000 0.345 161 Y C -0.096 175.558 175.900 -0.410 0.000 1.045 161 Y CA -0.075 57.704 58.100 -0.535 0.000 1.028 161 Y CB 2.257 40.551 38.460 -0.276 0.000 1.297 161 Y HN 1.258 nan 8.280 nan 0.000 0.463 162 G N 3.575 111.495 108.800 -1.466 0.000 2.733 162 G HA2 0.581 4.557 3.960 0.026 0.000 0.297 162 G HA3 0.581 4.557 3.960 0.026 0.000 0.297 162 G C -2.137 172.264 174.900 -0.831 0.000 1.422 162 G CA -0.871 43.669 45.100 -0.933 0.000 0.942 162 G HN 0.631 nan 8.290 nan 0.000 0.510 163 Q N -0.272 119.308 119.800 -0.368 0.000 2.668 163 Q HA 0.607 4.963 4.340 0.026 0.000 0.298 163 Q C -1.347 174.645 176.000 -0.014 0.000 1.071 163 Q CA -0.862 54.858 55.803 -0.138 0.000 0.789 163 Q CB 2.616 31.330 28.738 -0.040 0.000 1.497 163 Q HN 0.659 nan 8.270 nan 0.000 0.460 164 D N -0.212 120.220 120.400 0.053 0.000 4.535 164 D HA -0.099 4.557 4.640 0.026 0.000 0.236 164 D C -0.541 175.820 176.300 0.102 0.000 1.142 164 D CA 0.490 54.540 54.000 0.083 0.000 1.102 164 D CB -0.694 40.141 40.800 0.059 0.000 0.703 164 D HN 0.535 nan 8.370 nan 0.000 0.331 165 S N 3.314 119.090 115.700 0.126 0.000 2.537 165 S HA -0.081 4.405 4.470 0.026 0.000 0.240 165 S C 1.503 176.234 174.600 0.217 0.000 0.981 165 S CA 0.600 58.903 58.200 0.172 0.000 0.948 165 S CB 0.197 63.469 63.200 0.120 0.000 0.759 165 S HN 0.488 nan 8.310 nan 0.000 0.531 166 R N 0.102 120.692 120.500 0.150 0.000 2.596 166 R HA 0.424 4.780 4.340 0.026 0.000 0.369 166 R C -0.525 175.833 176.300 0.097 0.000 1.042 166 R CA 0.048 56.234 56.100 0.144 0.000 1.120 166 R CB 0.224 30.628 30.300 0.175 0.000 1.353 166 R HN 0.316 nan 8.270 nan 0.000 0.564 167 L N 1.587 122.839 121.223 0.047 0.000 2.371 167 L HA 0.530 4.886 4.340 0.026 0.000 0.262 167 L C -2.385 174.462 176.870 -0.039 0.000 1.006 167 L CA -2.270 52.567 54.840 -0.004 0.000 0.818 167 L CB 2.901 44.948 42.059 -0.019 0.000 1.354 167 L HN -0.201 nan 8.230 nan 0.000 0.415 168 P HA 0.130 nan 4.420 nan 0.000 0.276 168 P C -1.010 176.247 177.300 -0.072 0.000 1.230 168 P CA -0.280 62.770 63.100 -0.082 0.000 0.776 168 P CB 1.276 32.891 31.700 -0.141 0.000 0.888 169 S N 2.100 117.813 115.700 0.021 0.000 2.474 169 S HA 0.289 4.774 4.470 0.026 0.000 0.321 169 S C -0.350 174.179 174.600 -0.118 0.000 1.080 169 S CA -0.543 57.627 58.200 -0.050 0.000 1.106 169 S CB 0.645 63.982 63.200 0.229 0.000 0.984 169 S HN 0.363 nan 8.310 nan 0.000 0.464 170 E N 2.195 122.126 120.200 -0.448 0.000 2.199 170 E HA 0.550 4.916 4.350 0.026 0.000 0.269 170 E C -1.374 174.821 176.600 -0.675 0.000 0.899 170 E CA -0.511 55.695 56.400 -0.324 0.000 0.772 170 E CB 1.587 31.224 29.700 -0.105 0.000 1.155 170 E HN 0.420 nan 8.360 nan 0.000 0.408 171 F N 0.707 120.708 119.950 0.086 0.000 2.565 171 F HA 0.191 4.734 4.527 0.027 0.000 0.313 171 F C 0.078 175.900 175.800 0.037 0.000 1.091 171 F CA -1.147 56.868 58.000 0.024 0.000 0.915 171 F CB 1.551 40.532 39.000 -0.032 0.000 1.208 171 F HN 0.285 nan 8.300 nan 0.000 0.453 172 D N 3.151 123.684 120.400 0.221 0.000 2.338 172 D HA 0.171 4.827 4.640 0.026 0.000 0.255 172 D C 0.376 176.818 176.300 0.238 0.000 1.237 172 D CA 0.367 54.479 54.000 0.188 0.000 0.883 172 D CB 0.876 41.769 40.800 0.155 0.000 1.087 172 D HN 0.572 nan 8.370 nan 0.000 0.485 173 L N 2.857 124.223 121.223 0.237 0.000 2.628 173 L HA 0.015 4.371 4.340 0.026 0.000 0.229 173 L C 2.137 179.243 176.870 0.393 0.000 1.137 173 L CA -0.185 54.836 54.840 0.301 0.000 0.909 173 L CB 0.007 42.209 42.059 0.238 0.000 1.137 173 L HN 0.278 nan 8.230 nan 0.000 0.470 174 S N 1.453 117.327 115.700 0.289 0.000 2.381 174 S HA -0.290 4.196 4.470 0.026 0.000 0.230 174 S C 1.979 176.686 174.600 0.178 0.000 1.052 174 S CA 1.942 60.268 58.200 0.210 0.000 1.068 174 S CB -0.169 63.109 63.200 0.132 0.000 0.918 174 S HN 0.575 nan 8.310 nan 0.000 0.448 175 A N -0.760 122.150 122.820 0.150 0.000 2.251 175 A HA 0.365 4.700 4.320 0.026 0.000 0.209 175 A C 1.185 178.671 177.584 -0.162 0.000 1.187 175 A CA 0.226 52.233 52.037 -0.050 0.000 0.823 175 A CB -0.391 18.490 19.000 -0.198 0.000 0.846 175 A HN 0.477 nan 8.150 nan 0.000 0.486 176 F N -0.981 119.011 119.950 0.070 0.000 2.724 176 F HA 0.389 4.932 4.527 0.026 0.000 0.306 176 F C 0.633 176.468 175.800 0.060 0.000 1.100 176 F CA -0.099 57.940 58.000 0.066 0.000 1.255 176 F CB 0.179 39.225 39.000 0.076 0.000 1.072 176 F HN -0.013 nan 8.300 nan 0.000 0.589 177 L N 0.610 121.974 121.223 0.235 0.000 2.376 177 L HA 0.595 4.951 4.340 0.026 0.000 0.267 177 L C 0.077 176.987 176.870 0.066 0.000 1.035 177 L CA -0.930 53.992 54.840 0.137 0.000 0.800 177 L CB 1.276 43.426 42.059 0.152 0.000 1.290 177 L HN -0.052 nan 8.230 nan 0.000 0.462 178 R N 0.496 120.999 120.500 0.005 0.000 2.774 178 R HA 0.788 5.144 4.340 0.026 0.000 0.272 178 R C -1.196 175.080 176.300 -0.040 0.000 1.000 178 R CA -0.877 55.218 56.100 -0.009 0.000 0.906 178 R CB 1.557 31.843 30.300 -0.022 0.000 1.227 178 R HN 0.560 nan 8.270 nan 0.000 0.468 179 A N 1.168 123.975 122.820 -0.023 0.000 2.483 179 A HA 0.486 4.822 4.320 0.026 0.000 0.238 179 A C 1.075 178.612 177.584 -0.079 0.000 1.070 179 A CA 1.156 53.170 52.037 -0.039 0.000 0.770 179 A CB -0.660 18.330 19.000 -0.017 0.000 1.008 179 A HN 1.449 nan 8.150 nan 0.000 0.497 180 G N 1.116 109.851 108.800 -0.108 0.000 2.488 180 G HA2 -0.109 3.867 3.960 0.026 0.000 0.237 180 G HA3 -0.109 3.867 3.960 0.026 0.000 0.237 180 G C -0.320 174.458 174.900 -0.203 0.000 1.209 180 G CA -0.009 45.013 45.100 -0.129 0.000 0.929 180 G HN 0.952 nan 8.290 nan 0.000 0.578 181 E N 1.971 122.058 120.200 -0.188 0.000 2.373 181 E HA 0.421 4.787 4.350 0.026 0.000 0.267 181 E C 0.370 176.779 176.600 -0.319 0.000 1.032 181 E CA 0.047 56.294 56.400 -0.255 0.000 0.889 181 E CB 0.562 30.161 29.700 -0.169 0.000 0.984 181 E HN 0.505 nan 8.360 nan 0.000 0.425 182 N N 1.660 120.048 118.700 -0.520 0.000 2.416 182 N HA 0.353 5.109 4.740 0.026 0.000 0.276 182 N C -0.854 174.422 175.510 -0.390 0.000 1.261 182 N CA -0.636 52.105 53.050 -0.516 0.000 0.790 182 N CB 2.831 40.822 38.487 -0.827 0.000 1.554 182 N HN 0.223 nan 8.380 nan 0.000 0.481 183 R N 1.701 122.131 120.500 -0.116 0.000 2.513 183 R HA 0.503 4.859 4.340 0.026 0.000 0.301 183 R C -1.212 175.156 176.300 0.114 0.000 0.968 183 R CA -0.484 55.627 56.100 0.018 0.000 0.872 183 R CB 1.094 31.363 30.300 -0.051 0.000 1.177 183 R HN 0.489 nan 8.270 nan 0.000 0.444 184 L N 2.892 124.223 121.223 0.180 0.000 2.360 184 L HA 0.776 5.131 4.340 0.026 0.000 0.271 184 L C -0.285 176.638 176.870 0.088 0.000 1.057 184 L CA -0.966 53.975 54.840 0.168 0.000 0.803 184 L CB 1.897 44.046 42.059 0.150 0.000 1.207 184 L HN 0.788 nan 8.230 nan 0.000 0.445 185 A N 2.475 125.371 122.820 0.126 0.000 2.381 185 A HA 0.725 5.061 4.320 0.026 0.000 0.299 185 A C -1.209 176.656 177.584 0.468 0.000 1.049 185 A CA -0.425 51.616 52.037 0.007 0.000 0.715 185 A CB 1.699 20.202 19.000 -0.828 0.000 1.222 185 A HN 0.348 nan 8.150 nan 0.000 0.428 186 V N 3.238 123.577 119.914 0.707 0.000 2.407 186 V HA 0.485 4.621 4.120 0.026 0.000 0.291 186 V C -0.086 176.517 176.094 0.848 0.000 1.018 186 V CA -0.281 62.439 62.300 0.699 0.000 0.842 186 V CB 1.543 33.604 31.823 0.396 0.000 0.996 186 V HN 0.961 nan 8.190 nan 0.000 0.426 187 M N 6.057 126.183 119.600 0.877 0.000 2.061 187 M HA 0.562 5.058 4.480 0.026 0.000 0.346 187 M C -1.409 175.146 176.300 0.425 0.000 1.112 187 M CA -0.345 55.301 55.300 0.577 0.000 1.021 187 M CB 1.050 34.030 32.600 0.633 0.000 1.530 187 M HN 0.482 nan 8.290 nan 0.000 0.437 188 V N 6.802 126.920 119.914 0.341 0.000 2.398 188 V HA 0.393 4.529 4.120 0.026 0.000 0.286 188 V C -0.072 176.177 176.094 0.259 0.000 1.026 188 V CA -0.719 61.789 62.300 0.346 0.000 0.868 188 V CB 1.431 33.546 31.823 0.486 0.000 0.982 188 V HN 0.796 nan 8.190 nan 0.000 0.443 189 L N 4.855 126.162 121.223 0.140 0.000 2.292 189 L HA 0.505 4.860 4.340 0.026 0.000 0.284 189 L C 1.549 178.433 176.870 0.023 0.000 1.065 189 L CA -0.359 54.489 54.840 0.015 0.000 0.806 189 L CB 1.076 43.054 42.059 -0.134 0.000 1.175 189 L HN 0.656 nan 8.230 nan 0.000 0.431 190 R N 2.851 123.322 120.500 -0.049 0.000 2.066 190 R HA -0.038 4.318 4.340 0.026 0.000 0.232 190 R C -0.308 175.657 176.300 -0.559 0.000 1.131 190 R CA 1.260 57.101 56.100 -0.432 0.000 0.955 190 R CB 0.226 30.128 30.300 -0.663 0.000 0.851 190 R HN 0.570 nan 8.270 nan 0.000 0.432 191 W N 0.067 121.431 121.300 0.106 0.000 2.627 191 W HA 0.417 5.092 4.660 0.026 0.000 0.339 191 W C -0.348 176.279 176.519 0.180 0.000 1.058 191 W CA -0.797 56.615 57.345 0.112 0.000 1.223 191 W CB 1.845 31.373 29.460 0.114 0.000 1.389 191 W HN 0.039 nan 8.180 nan 0.000 0.541 192 S N -1.014 114.965 115.700 0.465 0.000 2.643 192 S HA 0.181 4.667 4.470 0.026 0.000 0.270 192 S C 0.049 174.895 174.600 0.409 0.000 1.166 192 S CA -0.413 58.069 58.200 0.471 0.000 0.815 192 S CB 1.092 64.542 63.200 0.417 0.000 1.139 192 S HN 0.643 nan 8.310 nan 0.000 0.472 193 D N 0.382 121.038 120.400 0.428 0.000 2.263 193 D HA 0.075 4.731 4.640 0.026 0.000 0.208 193 D C 1.748 178.368 176.300 0.533 0.000 0.971 193 D CA 1.170 55.483 54.000 0.521 0.000 0.867 193 D CB -0.659 40.312 40.800 0.285 0.000 0.929 193 D HN 0.712 nan 8.370 nan 0.000 0.492 194 G N 0.047 109.071 108.800 0.373 0.000 2.471 194 G HA2 -0.233 3.742 3.960 0.026 0.000 0.219 194 G HA3 -0.233 3.742 3.960 0.026 0.000 0.219 194 G C 1.675 176.765 174.900 0.317 0.000 1.125 194 G CA 0.626 45.921 45.100 0.325 0.000 0.775 194 G HN 0.305 nan 8.290 nan 0.000 0.548 195 S N -0.062 115.808 115.700 0.283 0.000 2.419 195 S HA -0.097 4.389 4.470 0.026 0.000 0.233 195 S C 1.869 176.576 174.600 0.179 0.000 1.016 195 S CA 0.647 58.983 58.200 0.227 0.000 0.974 195 S CB -0.402 62.945 63.200 0.246 0.000 0.786 195 S HN 0.563 nan 8.310 nan 0.000 0.492 196 Y N 1.107 121.547 120.300 0.233 0.000 2.403 196 Y HA 0.063 4.629 4.550 0.026 0.000 0.291 196 Y C 1.582 177.603 175.900 0.202 0.000 1.143 196 Y CA 0.635 58.794 58.100 0.098 0.000 1.257 196 Y CB -0.178 38.217 38.460 -0.108 0.000 0.984 196 Y HN 0.194 nan 8.280 nan 0.000 0.550 197 L N -0.343 121.094 121.223 0.357 0.000 2.700 197 L HA 0.134 4.490 4.340 0.026 0.000 0.234 197 L C 0.047 177.068 176.870 0.253 0.000 1.156 197 L CA 0.350 55.351 54.840 0.268 0.000 0.946 197 L CB 0.150 42.367 42.059 0.264 0.000 1.216 197 L HN 0.116 nan 8.230 nan 0.000 0.493 198 E N -0.075 120.289 120.200 0.274 0.000 3.846 198 E HA 0.045 4.411 4.350 0.026 0.000 0.216 198 E C -0.480 176.248 176.600 0.213 0.000 1.092 198 E CA -0.074 56.471 56.400 0.242 0.000 1.370 198 E CB 0.500 30.333 29.700 0.221 0.000 1.227 198 E HN 0.030 nan 8.360 nan 0.000 0.442 199 D N 1.185 121.672 120.400 0.144 0.000 2.690 199 D HA 0.028 4.684 4.640 0.026 0.000 0.236 199 D C -0.204 176.112 176.300 0.027 0.000 1.218 199 D CA -0.070 53.910 54.000 -0.033 0.000 0.829 199 D CB 0.134 40.675 40.800 -0.431 0.000 1.009 199 D HN 0.081 nan 8.370 nan 0.000 0.482 200 Q N 0.359 120.260 119.800 0.169 0.000 2.421 200 Q HA 0.103 4.458 4.340 0.026 0.000 0.255 200 Q C 0.079 176.208 176.000 0.216 0.000 1.013 200 Q CA 0.070 56.027 55.803 0.257 0.000 0.895 200 Q CB 0.548 29.590 28.738 0.507 0.000 1.271 200 Q HN 0.011 nan 8.270 nan 0.000 0.460 201 D N 2.819 123.371 120.400 0.254 0.000 2.597 201 D HA 0.102 4.757 4.640 0.026 0.000 0.228 201 D C -0.805 175.681 176.300 0.311 0.000 1.120 201 D CA 0.172 54.326 54.000 0.256 0.000 1.083 201 D CB -0.522 40.431 40.800 0.256 0.000 1.116 201 D HN 0.492 nan 8.370 nan 0.000 0.487 202 M N -0.528 119.220 119.600 0.246 0.000 2.949 202 M HA 0.386 4.882 4.480 0.026 0.000 0.270 202 M C -1.222 175.182 176.300 0.173 0.000 1.221 202 M CA -1.154 54.196 55.300 0.084 0.000 0.818 202 M CB 1.081 33.669 32.600 -0.020 0.000 1.635 202 M HN -0.153 nan 8.290 nan 0.000 0.492 203 W N 1.895 123.273 121.300 0.130 0.000 2.257 203 W HA 0.274 4.950 4.660 0.026 0.000 0.337 203 W C 0.279 176.826 176.519 0.048 0.000 1.321 203 W CA -0.086 57.336 57.345 0.129 0.000 1.267 203 W CB 0.345 29.818 29.460 0.022 0.000 1.187 203 W HN 0.301 nan 8.180 nan 0.000 0.565 204 R N 4.665 125.357 120.500 0.320 0.000 2.198 204 R HA 0.431 4.787 4.340 0.026 0.000 0.339 204 R C -0.096 176.216 176.300 0.020 0.000 1.020 204 R CA -0.251 55.950 56.100 0.168 0.000 0.864 204 R CB 0.299 30.776 30.300 0.296 0.000 1.105 204 R HN 0.562 nan 8.270 nan 0.000 0.463 205 M N 0.165 119.662 119.600 -0.171 0.000 2.752 205 M HA 0.524 5.019 4.480 0.026 0.000 0.285 205 M C -0.133 175.821 176.300 -0.576 0.000 1.140 205 M CA -0.768 54.314 55.300 -0.364 0.000 0.767 205 M CB 2.326 34.707 32.600 -0.364 0.000 1.736 205 M HN 0.668 nan 8.290 nan 0.000 0.452 206 S N -1.264 113.966 115.700 -0.784 0.000 2.636 206 S HA 0.934 5.420 4.470 0.026 0.000 0.266 206 S C -0.626 173.470 174.600 -0.839 0.000 1.147 206 S CA -0.212 57.466 58.200 -0.870 0.000 0.815 206 S CB 1.673 64.191 63.200 -1.136 0.000 1.119 206 S HN 1.459 nan 8.310 nan 0.000 0.470 207 G N -0.163 108.373 108.800 -0.440 0.000 2.331 207 G HA2 0.195 4.171 3.960 0.026 0.000 0.402 207 G HA3 0.195 4.171 3.960 0.026 0.000 0.402 207 G C -1.451 173.445 174.900 -0.007 0.000 1.275 207 G CA -0.612 44.504 45.100 0.026 0.000 1.003 207 G HN 1.170 nan 8.290 nan 0.000 0.500 208 I N 2.061 122.483 120.570 -0.247 0.000 2.241 208 I HA 0.267 4.453 4.170 0.026 0.000 0.294 208 I C 1.191 177.159 176.117 -0.249 0.000 1.145 208 I CA -0.219 60.823 61.300 -0.429 0.000 1.261 208 I CB -0.210 37.272 38.000 -0.863 0.000 1.475 208 I HN 0.511 nan 8.210 nan 0.000 0.533 209 F N 4.090 123.880 119.950 -0.268 0.000 2.727 209 F HA 0.440 4.982 4.527 0.026 0.000 0.302 209 F C 0.724 176.436 175.800 -0.147 0.000 1.097 209 F CA -0.525 57.352 58.000 -0.204 0.000 1.330 209 F CB 0.098 38.981 39.000 -0.194 0.000 1.084 209 F HN 0.128 nan 8.300 nan 0.000 0.578 210 R N 0.461 120.504 120.500 -0.762 0.000 2.930 210 R HA 0.243 4.599 4.340 0.026 0.000 0.257 210 R C -0.707 175.375 176.300 -0.362 0.000 1.107 210 R CA -1.174 54.598 56.100 -0.546 0.000 0.999 210 R CB 0.690 30.603 30.300 -0.645 0.000 1.209 210 R HN -0.030 nan 8.270 nan 0.000 0.486 211 D N 0.758 120.992 120.400 -0.276 0.000 2.443 211 D HA 0.089 4.745 4.640 0.026 0.000 0.234 211 D C -0.438 175.715 176.300 -0.244 0.000 1.172 211 D CA 0.456 54.332 54.000 -0.207 0.000 0.878 211 D CB 0.714 41.424 40.800 -0.150 0.000 1.204 211 D HN -0.009 nan 8.370 nan 0.000 0.453 212 V N 0.980 120.760 119.914 -0.224 0.000 2.540 212 V HA 0.565 4.701 4.120 0.026 0.000 0.302 212 V C 0.137 176.104 176.094 -0.211 0.000 1.035 212 V CA -0.557 61.552 62.300 -0.318 0.000 0.873 212 V CB 1.664 33.296 31.823 -0.318 0.000 0.992 212 V HN 0.770 nan 8.190 nan 0.000 0.428 213 S N 4.335 119.888 115.700 -0.245 0.000 2.638 213 S HA 0.884 5.370 4.470 0.026 0.000 0.274 213 S C -1.501 173.039 174.600 -0.099 0.000 1.157 213 S CA -0.842 57.282 58.200 -0.126 0.000 0.826 213 S CB 2.139 65.303 63.200 -0.060 0.000 1.139 213 S HN 0.479 nan 8.310 nan 0.000 0.474 214 L N 1.140 122.368 121.223 0.008 0.000 2.385 214 L HA 0.802 5.158 4.340 0.026 0.000 0.273 214 L C -1.549 175.497 176.870 0.293 0.000 0.990 214 L CA -0.703 54.215 54.840 0.130 0.000 0.821 214 L CB 1.678 43.793 42.059 0.093 0.000 1.279 214 L HN 0.853 nan 8.230 nan 0.000 0.412 215 L N 4.218 125.605 121.223 0.273 0.000 2.381 215 L HA 0.496 4.852 4.340 0.026 0.000 0.274 215 L C -1.144 175.768 176.870 0.069 0.000 0.988 215 L CA -0.196 54.749 54.840 0.175 0.000 0.824 215 L CB 1.323 43.438 42.059 0.093 0.000 1.263 215 L HN 0.635 nan 8.230 nan 0.000 0.410 216 H N 5.245 124.107 119.070 -0.346 0.000 2.467 216 H HA 0.486 5.058 4.556 0.026 0.000 0.326 216 H C -1.229 173.886 175.328 -0.355 0.000 1.094 216 H CA -0.558 55.152 56.048 -0.564 0.000 1.253 216 H CB 1.161 30.100 29.762 -1.373 0.000 1.439 216 H HN 0.525 nan 8.280 nan 0.000 0.479 217 K N 5.295 125.313 120.400 -0.637 0.000 2.385 217 K HA 0.374 4.709 4.320 0.026 0.000 0.248 217 K C -2.719 173.611 176.600 -0.450 0.000 0.955 217 K CA -2.038 54.012 56.287 -0.394 0.000 0.816 217 K CB 2.207 34.542 32.500 -0.275 0.000 1.250 217 K HN 0.485 nan 8.250 nan 0.000 0.434 218 P HA 0.169 nan 4.420 nan 0.000 0.274 218 P C 0.527 177.741 177.300 -0.144 0.000 1.246 218 P CA -0.187 62.830 63.100 -0.139 0.000 0.795 218 P CB 0.504 32.172 31.700 -0.053 0.000 1.006 219 T N -1.140 113.358 114.554 -0.093 0.000 2.788 219 T HA -0.048 4.318 4.350 0.026 0.000 0.268 219 T C 0.583 175.238 174.700 -0.075 0.000 1.044 219 T CA 1.586 63.640 62.100 -0.077 0.000 1.139 219 T CB -0.597 68.245 68.868 -0.042 0.000 0.867 219 T HN 0.426 nan 8.240 nan 0.000 0.454 220 T N 3.737 118.254 114.554 -0.061 0.000 2.727 220 T HA 0.457 4.823 4.350 0.026 0.000 0.298 220 T C -0.218 174.436 174.700 -0.077 0.000 0.942 220 T CA -0.597 61.460 62.100 -0.071 0.000 0.997 220 T CB 0.635 69.477 68.868 -0.044 0.000 0.917 220 T HN 0.480 nan 8.240 nan 0.000 0.487 221 Q N 2.324 122.062 119.800 -0.102 0.000 2.565 221 Q HA 0.599 4.955 4.340 0.026 0.000 0.294 221 Q C -1.258 174.676 176.000 -0.111 0.000 1.005 221 Q CA -1.178 54.554 55.803 -0.118 0.000 0.771 221 Q CB 1.275 29.916 28.738 -0.161 0.000 1.486 221 Q HN 0.454 nan 8.270 nan 0.000 0.422 222 I N 2.612 123.089 120.570 -0.155 0.000 2.421 222 I HA 0.023 4.208 4.170 0.026 0.000 0.291 222 I C 0.683 176.692 176.117 -0.180 0.000 1.089 222 I CA 0.064 61.291 61.300 -0.121 0.000 1.354 222 I CB 0.966 38.861 38.000 -0.175 0.000 1.413 222 I HN 0.851 nan 8.210 nan 0.000 0.513 223 S N 2.618 118.332 115.700 0.023 0.000 2.511 223 S HA 0.215 4.701 4.470 0.026 0.000 0.214 223 S C 0.196 175.025 174.600 0.382 0.000 0.997 223 S CA -0.286 58.003 58.200 0.148 0.000 0.908 223 S CB 0.270 63.510 63.200 0.066 0.000 0.803 223 S HN 0.691 nan 8.310 nan 0.000 0.504 224 D N -0.211 120.394 120.400 0.342 0.000 2.683 224 D HA 0.531 5.187 4.640 0.026 0.000 0.246 224 D C -1.953 174.517 176.300 0.284 0.000 1.238 224 D CA -0.715 53.467 54.000 0.304 0.000 0.759 224 D CB 1.662 42.515 40.800 0.087 0.000 1.349 224 D HN 0.196 nan 8.370 nan 0.000 0.426 225 F N -0.617 119.368 119.950 0.059 0.000 2.635 225 F HA 0.583 5.126 4.527 0.027 0.000 0.314 225 F C -1.624 174.222 175.800 0.078 0.000 1.119 225 F CA -0.753 57.232 58.000 -0.025 0.000 1.000 225 F CB 1.106 40.142 39.000 0.060 0.000 1.278 225 F HN 0.248 nan 8.300 nan 0.000 0.446 226 H N 2.051 121.186 119.070 0.108 0.000 2.600 226 H HA 0.758 5.330 4.556 0.027 0.000 0.357 226 H C -1.286 174.081 175.328 0.064 0.000 1.106 226 H CA -1.509 54.534 56.048 -0.008 0.000 1.193 226 H CB 2.701 32.446 29.762 -0.028 0.000 1.594 226 H HN 0.612 nan 8.280 nan 0.000 0.526 227 V N 2.230 122.235 119.914 0.152 0.000 2.459 227 V HA 0.669 4.805 4.120 0.026 0.000 0.295 227 V C -0.235 175.852 176.094 -0.012 0.000 1.029 227 V CA -0.564 61.781 62.300 0.075 0.000 0.874 227 V CB 1.317 33.177 31.823 0.063 0.000 0.985 227 V HN 0.919 nan 8.190 nan 0.000 0.438 228 A N 3.198 125.988 122.820 -0.051 0.000 2.401 228 A HA 0.949 5.285 4.320 0.026 0.000 0.310 228 A C -0.173 177.306 177.584 -0.175 0.000 1.075 228 A CA -0.532 51.452 52.037 -0.087 0.000 0.746 228 A CB 2.016 20.987 19.000 -0.048 0.000 1.277 228 A HN 0.922 nan 8.150 nan 0.000 0.425 229 T N -0.569 113.863 114.554 -0.203 0.000 2.840 229 T HA 0.670 5.036 4.350 0.026 0.000 0.287 229 T C -0.498 173.983 174.700 -0.365 0.000 0.991 229 T CA -0.803 61.078 62.100 -0.363 0.000 0.964 229 T CB 1.092 69.625 68.868 -0.558 0.000 0.954 229 T HN 1.052 nan 8.240 nan 0.000 0.438 230 R N 1.834 122.053 120.500 -0.467 0.000 2.664 230 R HA 0.862 5.218 4.340 0.026 0.000 0.286 230 R C -1.701 174.217 176.300 -0.636 0.000 0.967 230 R CA -0.824 55.075 56.100 -0.335 0.000 0.933 230 R CB 0.821 31.043 30.300 -0.131 0.000 1.146 230 R HN 0.507 nan 8.270 nan 0.000 0.468 231 F N 0.931 120.856 119.950 -0.043 0.000 2.611 231 F HA 0.449 4.991 4.527 0.025 0.000 0.324 231 F C 0.320 175.979 175.800 -0.235 0.000 1.061 231 F CA -0.978 56.936 58.000 -0.144 0.000 0.954 231 F CB 1.410 40.207 39.000 -0.338 0.000 1.301 231 F HN 0.782 nan 8.300 nan 0.000 0.482 232 N N 0.025 118.702 118.700 -0.038 0.000 2.364 232 N HA 0.042 4.797 4.740 0.026 0.000 0.264 232 N C 0.423 175.798 175.510 -0.225 0.000 1.263 232 N CA -0.134 52.862 53.050 -0.091 0.000 0.959 232 N CB 0.124 38.587 38.487 -0.039 0.000 1.204 232 N HN 0.680 nan 8.380 nan 0.000 0.550 233 D N -1.437 118.879 120.400 -0.141 0.000 2.218 233 D HA -0.209 4.447 4.640 0.026 0.000 0.204 233 D C 0.408 176.639 176.300 -0.116 0.000 0.976 233 D CA 1.334 55.250 54.000 -0.140 0.000 0.853 233 D CB -0.474 40.301 40.800 -0.042 0.000 0.939 233 D HN 0.721 nan 8.370 nan 0.000 0.481 234 D N -1.397 118.981 120.400 -0.037 0.000 2.395 234 D HA -0.002 4.654 4.640 0.026 0.000 0.213 234 D C 0.142 176.603 176.300 0.269 0.000 1.110 234 D CA -0.797 53.286 54.000 0.138 0.000 0.835 234 D CB -0.873 40.002 40.800 0.124 0.000 0.965 234 D HN 0.199 nan 8.370 nan 0.000 0.505 235 F N 0.417 120.427 119.950 0.100 0.000 2.988 235 F HA -0.269 4.273 4.527 0.024 0.000 0.287 235 F C 1.483 177.365 175.800 0.137 0.000 0.781 235 F CA 0.782 58.850 58.000 0.114 0.000 1.221 235 F CB -2.537 36.418 39.000 -0.074 0.000 1.392 235 F HN 0.196 nan 8.300 nan 0.000 0.425 236 S N -1.188 114.626 115.700 0.191 0.000 2.535 236 S HA 0.367 4.853 4.470 0.026 0.000 0.214 236 S C 0.543 175.202 174.600 0.099 0.000 0.980 236 S CA -0.194 58.088 58.200 0.137 0.000 0.907 236 S CB 0.449 63.704 63.200 0.093 0.000 0.790 236 S HN 0.439 nan 8.310 nan 0.000 0.510 237 R N 0.293 120.856 120.500 0.106 0.000 2.621 237 R HA 0.814 5.170 4.340 0.026 0.000 0.284 237 R C -1.210 175.119 176.300 0.048 0.000 0.998 237 R CA -0.374 55.752 56.100 0.044 0.000 0.895 237 R CB 2.171 32.474 30.300 0.006 0.000 1.195 237 R HN 0.236 nan 8.270 nan 0.000 0.450 238 A N 1.686 124.474 122.820 -0.053 0.000 2.527 238 A HA 0.810 5.146 4.320 0.026 0.000 0.293 238 A C -1.297 176.202 177.584 -0.142 0.000 1.117 238 A CA -0.719 51.190 52.037 -0.212 0.000 0.723 238 A CB 2.055 20.922 19.000 -0.222 0.000 1.313 238 A HN 0.337 nan 8.150 nan 0.000 0.411 239 V N 1.063 120.870 119.914 -0.179 0.000 2.531 239 V HA 0.425 4.560 4.120 0.026 0.000 0.301 239 V C -0.650 175.383 176.094 -0.103 0.000 1.034 239 V CA -0.341 61.897 62.300 -0.102 0.000 0.865 239 V CB 1.507 33.268 31.823 -0.103 0.000 0.995 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 4.424 125.625 121.223 -0.036 0.000 2.260 240 L HA 0.585 4.941 4.340 0.026 0.000 0.289 240 L C 0.080 176.911 176.870 -0.064 0.000 1.057 240 L CA 0.008 54.804 54.840 -0.073 0.000 0.811 240 L CB 0.969 43.019 42.059 -0.016 0.000 1.184 240 L HN 0.812 nan 8.230 nan 0.000 0.429 241 E N 4.602 124.758 120.200 -0.074 0.000 2.129 241 E HA 0.613 4.979 4.350 0.026 0.000 0.268 241 E C -1.284 175.310 176.600 -0.011 0.000 0.900 241 E CA -0.695 55.680 56.400 -0.041 0.000 0.755 241 E CB 1.536 31.213 29.700 -0.039 0.000 1.117 241 E HN 0.702 nan 8.360 nan 0.000 0.410 242 A N 4.839 127.661 122.820 0.003 0.000 2.310 242 A HA 0.286 4.622 4.320 0.026 0.000 0.304 242 A C -0.615 176.986 177.584 0.029 0.000 1.231 242 A CA -0.677 51.386 52.037 0.043 0.000 0.799 242 A CB 0.939 19.964 19.000 0.042 0.000 1.162 242 A HN 0.751 nan 8.150 nan 0.000 0.486 243 E N 2.635 122.861 120.200 0.042 0.000 2.200 243 E HA 0.531 4.896 4.350 0.026 0.000 0.283 243 E C -1.295 175.292 176.600 -0.022 0.000 1.015 243 E CA -0.344 56.047 56.400 -0.016 0.000 0.819 243 E CB 1.091 30.762 29.700 -0.048 0.000 1.081 243 E HN 0.369 nan 8.360 nan 0.000 0.397 244 V N 4.887 124.798 119.914 -0.004 0.000 2.540 244 V HA 0.285 4.421 4.120 0.026 0.000 0.302 244 V C -0.512 175.659 176.094 0.128 0.000 1.035 244 V CA -0.810 61.528 62.300 0.063 0.000 0.873 244 V CB 1.683 33.525 31.823 0.032 0.000 0.992 244 V HN 0.739 nan 8.190 nan 0.000 0.428 245 Q N 4.405 124.279 119.800 0.124 0.000 2.345 245 Q HA 0.847 5.203 4.340 0.026 0.000 0.268 245 Q C -0.876 175.185 176.000 0.103 0.000 1.054 245 Q CA -0.896 54.974 55.803 0.110 0.000 0.835 245 Q CB 2.707 31.438 28.738 -0.011 0.000 1.339 245 Q HN 0.811 nan 8.270 nan 0.000 0.447 246 M N -0.909 118.661 119.600 -0.051 0.000 2.644 246 M HA 0.744 5.240 4.480 0.026 0.000 0.304 246 M C -1.317 174.875 176.300 -0.179 0.000 1.215 246 M CA -0.473 54.726 55.300 -0.169 0.000 0.871 246 M CB 1.654 33.977 32.600 -0.461 0.000 1.740 246 M HN 0.525 nan 8.290 nan 0.000 0.464 247 C N 1.009 120.224 119.300 -0.142 0.000 2.529 247 C HA 1.037 5.512 4.460 0.026 0.000 0.329 247 C C 0.746 175.655 174.990 -0.135 0.000 1.194 247 C CA 0.643 59.593 59.018 -0.115 0.000 1.779 247 C CB 0.885 28.585 27.740 -0.065 0.000 2.322 247 C HN 1.364 nan 8.230 nan 0.000 0.500 248 G N 1.544 110.275 108.800 -0.114 0.000 2.409 248 G HA2 0.012 3.988 3.960 0.026 0.000 0.421 248 G HA3 0.012 3.988 3.960 0.026 0.000 0.421 248 G C -1.073 173.754 174.900 -0.121 0.000 1.259 248 G CA -0.489 44.547 45.100 -0.105 0.000 1.011 248 G HN 0.899 nan 8.290 nan 0.000 0.497 249 E N 0.228 120.364 120.200 -0.106 0.000 2.130 249 E HA 0.460 4.826 4.350 0.026 0.000 0.284 249 E C 0.429 176.929 176.600 -0.167 0.000 1.018 249 E CA -0.546 55.786 56.400 -0.113 0.000 0.817 249 E CB 0.385 30.043 29.700 -0.070 0.000 1.078 249 E HN 0.466 nan 8.360 nan 0.000 0.396 250 L N 4.749 125.862 121.223 -0.182 0.000 2.456 250 L HA 0.202 4.558 4.340 0.026 0.000 0.272 250 L C 0.511 177.251 176.870 -0.216 0.000 1.189 250 L CA 0.274 54.984 54.840 -0.218 0.000 0.846 250 L CB 0.271 42.224 42.059 -0.177 0.000 1.111 250 L HN 0.449 nan 8.230 nan 0.000 0.475 251 R N 1.476 121.801 120.500 -0.291 0.000 2.626 251 R HA 0.155 4.511 4.340 0.026 0.000 0.274 251 R C -0.320 175.746 176.300 -0.389 0.000 1.031 251 R CA -0.796 55.050 56.100 -0.423 0.000 0.898 251 R CB 1.507 31.279 30.300 -0.881 0.000 1.222 251 R HN 0.504 nan 8.270 nan 0.000 0.455 252 D N 0.918 121.174 120.400 -0.240 0.000 2.265 252 D HA -0.159 4.497 4.640 0.026 0.000 0.208 252 D C 1.504 177.757 176.300 -0.078 0.000 0.977 252 D CA 1.572 55.509 54.000 -0.105 0.000 0.871 252 D CB 0.036 40.825 40.800 -0.019 0.000 0.925 252 D HN 0.581 nan 8.370 nan 0.000 0.485 253 Y N -0.451 119.862 120.300 0.022 0.000 2.529 253 Y HA 0.257 4.822 4.550 0.027 0.000 0.290 253 Y C 0.586 176.491 175.900 0.008 0.000 1.177 253 Y CA -0.422 57.687 58.100 0.015 0.000 1.305 253 Y CB -0.929 37.540 38.460 0.016 0.000 1.047 253 Y HN -0.181 nan 8.280 nan 0.000 0.522 254 L N 2.518 123.674 121.223 -0.112 0.000 2.452 254 L HA 0.354 4.710 4.340 0.026 0.000 0.267 254 L C 0.265 177.109 176.870 -0.042 0.000 1.188 254 L CA -0.232 54.617 54.840 0.015 0.000 0.821 254 L CB 0.536 42.639 42.059 0.072 0.000 1.102 254 L HN 0.161 nan 8.230 nan 0.000 0.470 255 R N 1.475 121.840 120.500 -0.224 0.000 2.764 255 R HA 0.680 5.036 4.340 0.026 0.000 0.270 255 R C -1.572 174.375 176.300 -0.588 0.000 1.014 255 R CA -0.813 55.021 56.100 -0.443 0.000 0.904 255 R CB 2.144 32.087 30.300 -0.594 0.000 1.236 255 R HN 0.271 nan 8.270 nan 0.000 0.466 256 V N 0.894 120.512 119.914 -0.494 0.000 2.588 256 V HA 0.461 4.597 4.120 0.026 0.000 0.304 256 V C -0.378 175.657 176.094 -0.097 0.000 1.042 256 V CA -0.543 61.568 62.300 -0.314 0.000 0.877 256 V CB 2.289 33.858 31.823 -0.424 0.000 0.996 256 V HN 0.715 nan 8.190 nan 0.000 0.425 257 T N 4.156 118.767 114.554 0.095 0.000 2.792 257 T HA 0.575 4.941 4.350 0.026 0.000 0.280 257 T C -0.557 174.155 174.700 0.020 0.000 0.990 257 T CA -0.318 61.846 62.100 0.107 0.000 0.960 257 T CB 1.513 70.492 68.868 0.184 0.000 0.939 257 T HN 0.342 nan 8.240 nan 0.000 0.439 258 V N 4.131 124.037 119.914 -0.014 0.000 2.384 258 V HA 0.645 4.781 4.120 0.026 0.000 0.287 258 V C 0.161 176.251 176.094 -0.007 0.000 1.020 258 V CA -0.759 61.530 62.300 -0.018 0.000 0.850 258 V CB 1.515 33.319 31.823 -0.032 0.000 0.987 258 V HN 1.023 nan 8.190 nan 0.000 0.436 259 S N 5.476 121.193 115.700 0.028 0.000 2.532 259 S HA 0.871 5.356 4.470 0.026 0.000 0.301 259 S C -1.091 173.522 174.600 0.021 0.000 1.083 259 S CA -0.760 57.431 58.200 -0.015 0.000 1.025 259 S CB 2.101 65.302 63.200 0.002 0.000 1.056 259 S HN 0.578 nan 8.310 nan 0.000 0.494 260 L N 2.318 123.463 121.223 -0.130 0.000 2.362 260 L HA 0.817 5.172 4.340 0.026 0.000 0.275 260 L C -2.011 174.810 176.870 -0.082 0.000 0.998 260 L CA -0.303 54.563 54.840 0.044 0.000 0.820 260 L CB 1.107 43.208 42.059 0.069 0.000 1.270 260 L HN 0.909 nan 8.230 nan 0.000 0.415 261 W N 3.650 125.058 121.300 0.180 0.000 2.761 261 W HA 0.587 5.263 4.660 0.026 0.000 0.340 261 W C -0.633 175.967 176.519 0.135 0.000 1.072 261 W CA -0.454 56.968 57.345 0.127 0.000 1.215 261 W CB 1.459 30.946 29.460 0.046 0.000 1.420 261 W HN 0.389 nan 8.180 nan 0.000 0.519 262 Q N 2.594 122.540 119.800 0.244 0.000 2.363 262 Q HA 0.465 4.821 4.340 0.026 0.000 0.265 262 Q C 0.659 176.672 176.000 0.021 0.000 1.032 262 Q CA 0.540 56.299 55.803 -0.073 0.000 0.746 262 Q CB 1.040 29.626 28.738 -0.253 0.000 1.237 262 Q HN 0.823 nan 8.270 nan 0.000 0.475 263 G N 4.075 112.885 108.800 0.016 0.000 2.583 263 G HA2 -0.343 3.633 3.960 0.026 0.000 0.292 263 G HA3 -0.343 3.633 3.960 0.026 0.000 0.292 263 G C 0.404 175.366 174.900 0.103 0.000 1.203 263 G CA 0.425 45.542 45.100 0.029 0.000 0.987 263 G HN 0.691 nan 8.290 nan 0.000 0.554 264 E N 1.127 121.384 120.200 0.095 0.000 2.479 264 E HA 0.151 4.516 4.350 0.026 0.000 0.193 264 E C 0.377 177.159 176.600 0.303 0.000 1.049 264 E CA 0.576 57.059 56.400 0.139 0.000 0.870 264 E CB 0.123 29.853 29.700 0.050 0.000 0.944 264 E HN 0.387 nan 8.360 nan 0.000 0.492 265 T N 1.039 115.757 114.554 0.273 0.000 2.799 265 T HA 0.151 4.517 4.350 0.026 0.000 0.286 265 T C -0.120 174.646 174.700 0.111 0.000 0.973 265 T CA -0.391 61.824 62.100 0.191 0.000 1.035 265 T CB 1.979 70.891 68.868 0.073 0.000 0.932 265 T HN 0.001 nan 8.240 nan 0.000 0.469 266 Q N 2.676 122.329 119.800 -0.245 0.000 2.279 266 Q HA 0.303 4.658 4.340 0.026 0.000 0.256 266 Q C 0.268 176.042 176.000 -0.376 0.000 0.937 266 Q CA -0.355 54.967 55.803 -0.801 0.000 0.933 266 Q CB 0.885 28.916 28.738 -1.178 0.000 1.189 266 Q HN 0.538 nan 8.270 nan 0.000 0.417 267 V N 2.755 122.500 119.914 -0.282 0.000 2.685 267 V HA 0.278 4.414 4.120 0.026 0.000 0.244 267 V C 0.256 176.263 176.094 -0.145 0.000 1.054 267 V CA 1.247 63.477 62.300 -0.116 0.000 1.076 267 V CB 0.457 32.306 31.823 0.045 0.000 0.725 267 V HN 0.815 nan 8.190 nan 0.000 0.467 268 A N -1.283 121.414 122.820 -0.205 0.000 2.586 268 A HA 0.764 5.100 4.320 0.026 0.000 0.291 268 A C -0.837 176.635 177.584 -0.186 0.000 1.062 268 A CA 0.067 52.007 52.037 -0.160 0.000 0.666 268 A CB 1.788 20.730 19.000 -0.096 0.000 1.281 268 A HN 0.071 nan 8.150 nan 0.000 0.421 269 S N -1.004 114.617 115.700 -0.133 0.000 2.537 269 S HA 0.784 5.270 4.470 0.026 0.000 0.271 269 S C -0.587 173.972 174.600 -0.068 0.000 1.148 269 S CA 0.255 58.390 58.200 -0.108 0.000 0.868 269 S CB 1.609 64.733 63.200 -0.128 0.000 1.115 269 S HN 2.361 nan 8.310 nan 0.000 0.461 270 G N 1.712 110.483 108.800 -0.048 0.000 2.706 270 G HA2 0.651 4.627 3.960 0.026 0.000 0.297 270 G HA3 0.651 4.627 3.960 0.026 0.000 0.297 270 G C -1.354 173.529 174.900 -0.028 0.000 1.403 270 G CA -0.422 44.654 45.100 -0.040 0.000 0.954 270 G HN 0.716 nan 8.290 nan 0.000 0.500 271 T N -0.193 114.347 114.554 -0.023 0.000 2.900 271 T HA 0.868 5.234 4.350 0.026 0.000 0.295 271 T C -0.332 174.334 174.700 -0.056 0.000 1.044 271 T CA -0.055 62.035 62.100 -0.016 0.000 0.995 271 T CB 1.874 70.768 68.868 0.042 0.000 1.072 271 T HN 1.564 nan 8.240 nan 0.000 0.473 272 A N 3.063 125.816 122.820 -0.112 0.000 2.604 272 A HA 0.884 5.220 4.320 0.026 0.000 0.295 272 A C -3.109 174.344 177.584 -0.218 0.000 1.067 272 A CA -1.553 50.402 52.037 -0.136 0.000 0.683 272 A CB 1.276 20.193 19.000 -0.138 0.000 1.281 272 A HN 0.535 nan 8.150 nan 0.000 0.407 273 P HA 0.522 nan 4.420 nan 0.000 0.278 273 P C -0.512 176.665 177.300 -0.206 0.000 1.266 273 P CA -0.280 62.725 63.100 -0.158 0.000 0.807 273 P CB 0.369 32.040 31.700 -0.049 0.000 1.094 274 F N 0.002 119.911 119.950 -0.068 0.000 2.490 274 F HA 0.439 4.982 4.527 0.026 0.000 0.336 274 F C 1.502 177.283 175.800 -0.031 0.000 1.178 274 F CA 1.666 59.636 58.000 -0.050 0.000 1.301 274 F CB 0.189 39.153 39.000 -0.059 0.000 1.175 274 F HN 0.580 nan 8.300 nan 0.000 0.593 275 G N 1.537 110.469 108.800 0.220 0.000 2.648 275 G HA2 0.344 4.319 3.960 0.026 0.000 0.317 275 G HA3 0.344 4.319 3.960 0.026 0.000 0.317 275 G C -0.539 174.416 174.900 0.093 0.000 1.216 275 G CA -0.744 44.432 45.100 0.127 0.000 1.210 275 G HN 1.028 nan 8.290 nan 0.000 0.583 276 G N 0.815 109.690 108.800 0.123 0.000 2.537 276 G HA2 0.681 4.656 3.960 0.026 0.000 0.273 276 G HA3 0.681 4.656 3.960 0.026 0.000 0.273 276 G C 0.479 175.424 174.900 0.076 0.000 1.189 276 G CA 0.028 45.193 45.100 0.109 0.000 0.881 276 G HN 1.084 nan 8.290 nan 0.000 0.535 277 E N -0.372 119.865 120.200 0.062 0.000 2.409 277 E HA 0.090 4.455 4.350 0.026 0.000 0.257 277 E C -0.351 176.274 176.600 0.041 0.000 1.150 277 E CA -0.732 55.692 56.400 0.041 0.000 0.942 277 E CB 0.545 30.265 29.700 0.034 0.000 0.979 277 E HN 0.067 nan 8.360 nan 0.000 0.447 278 I N 2.044 122.626 120.570 0.020 0.000 2.683 278 I HA -0.138 4.048 4.170 0.026 0.000 0.286 278 I C 1.119 177.244 176.117 0.013 0.000 1.175 278 I CA -0.036 61.267 61.300 0.005 0.000 1.429 278 I CB 0.050 38.049 38.000 -0.002 0.000 1.371 278 I HN 0.662 nan 8.210 nan 0.000 0.569 279 I N 3.856 124.426 120.570 -0.000 0.000 3.445 279 I HA 0.078 4.264 4.170 0.026 0.000 0.288 279 I C 0.478 176.594 176.117 -0.002 0.000 1.198 279 I CA 0.747 62.057 61.300 0.016 0.000 1.417 279 I CB -0.466 37.545 38.000 0.019 0.000 1.205 279 I HN 0.666 nan 8.210 nan 0.000 0.448 280 D N -1.381 119.004 120.400 -0.025 0.000 2.946 280 D HA 0.095 4.751 4.640 0.026 0.000 0.337 280 D C 0.331 176.614 176.300 -0.028 0.000 1.332 280 D CA -0.400 53.587 54.000 -0.022 0.000 0.935 280 D CB 0.502 41.288 40.800 -0.022 0.000 1.440 280 D HN -0.291 nan 8.370 nan 0.000 0.540 281 E N -1.025 119.161 120.200 -0.024 0.000 2.331 281 E HA -0.030 4.336 4.350 0.026 0.000 0.199 281 E C 1.289 177.869 176.600 -0.032 0.000 1.008 281 E CA 0.928 57.314 56.400 -0.023 0.000 0.843 281 E CB -0.034 29.656 29.700 -0.018 0.000 0.761 281 E HN 0.208 nan 8.360 nan 0.000 0.507 282 R N -0.399 120.074 120.500 -0.046 0.000 2.334 282 R HA 0.296 4.652 4.340 0.026 0.000 0.216 282 R C 0.833 177.090 176.300 -0.071 0.000 0.905 282 R CA 0.691 56.757 56.100 -0.057 0.000 1.064 282 R CB 0.585 30.845 30.300 -0.066 0.000 1.046 282 R HN 0.210 nan 8.270 nan 0.000 0.508 283 G N -0.632 108.127 108.800 -0.068 0.000 2.408 283 G HA2 -0.108 3.868 3.960 0.026 0.000 0.204 283 G HA3 -0.108 3.868 3.960 0.026 0.000 0.204 283 G C -0.220 174.624 174.900 -0.093 0.000 1.186 283 G CA -0.607 44.452 45.100 -0.069 0.000 1.139 283 G HN 0.465 nan 8.290 nan 0.000 0.563 284 G N -1.983 106.756 108.800 -0.101 0.000 3.176 284 G HA2 0.631 4.607 3.960 0.026 0.000 0.272 284 G HA3 0.631 4.607 3.960 0.026 0.000 0.272 284 G C -1.523 173.259 174.900 -0.197 0.000 1.349 284 G CA -0.721 44.315 45.100 -0.106 0.000 0.953 284 G HN 0.763 nan 8.290 nan 0.000 0.559 285 Y N 1.181 121.491 120.300 0.017 0.000 2.556 285 Y HA 0.408 4.973 4.550 0.026 0.000 0.352 285 Y C 1.499 177.417 175.900 0.030 0.000 1.006 285 Y CA 0.123 58.235 58.100 0.020 0.000 1.277 285 Y CB 1.565 40.042 38.460 0.029 0.000 1.136 285 Y HN 0.538 nan 8.280 nan 0.000 0.523 286 A N 1.702 124.578 122.820 0.094 0.000 2.067 286 A HA -0.151 4.184 4.320 0.026 0.000 0.219 286 A C 1.365 178.999 177.584 0.084 0.000 1.158 286 A CA 1.415 53.496 52.037 0.072 0.000 0.661 286 A CB -0.268 18.737 19.000 0.009 0.000 0.801 286 A HN 0.782 nan 8.150 nan 0.000 0.452 287 D N -0.742 119.703 120.400 0.075 0.000 2.358 287 D HA 0.141 4.797 4.640 0.026 0.000 0.224 287 D C 0.468 176.816 176.300 0.080 0.000 1.123 287 D CA -0.024 53.932 54.000 -0.074 0.000 0.833 287 D CB -0.045 40.700 40.800 -0.092 0.000 0.946 287 D HN 0.407 nan 8.370 nan 0.000 0.505 288 R N -0.821 119.865 120.500 0.310 0.000 2.836 288 R HA 0.751 5.107 4.340 0.026 0.000 0.269 288 R C -1.597 174.883 176.300 0.299 0.000 1.010 288 R CA -1.147 55.149 56.100 0.326 0.000 0.930 288 R CB 2.990 33.349 30.300 0.099 0.000 1.218 288 R HN -0.020 nan 8.270 nan 0.000 0.473 289 V N 0.277 120.259 119.914 0.113 0.000 3.048 289 V HA 0.519 4.655 4.120 0.026 0.000 0.303 289 V C -1.493 174.569 176.094 -0.053 0.000 1.214 289 V CA -0.306 61.970 62.300 -0.040 0.000 0.984 289 V CB 2.797 34.465 31.823 -0.258 0.000 1.054 289 V HN 0.819 nan 8.190 nan 0.000 0.430 290 T N 7.144 121.671 114.554 -0.045 0.000 2.786 290 T HA 0.572 4.938 4.350 0.026 0.000 0.283 290 T C -0.894 173.776 174.700 -0.049 0.000 0.992 290 T CA -0.385 61.693 62.100 -0.036 0.000 0.954 290 T CB 0.998 69.858 68.868 -0.015 0.000 0.934 290 T HN 0.429 nan 8.240 nan 0.000 0.440 291 L N 3.678 124.870 121.223 -0.051 0.000 2.325 291 L HA 0.574 4.930 4.340 0.026 0.000 0.279 291 L C 0.487 177.334 176.870 -0.039 0.000 1.054 291 L CA -0.412 54.397 54.840 -0.052 0.000 0.804 291 L CB 1.285 43.310 42.059 -0.056 0.000 1.200 291 L HN 0.535 nan 8.230 nan 0.000 0.436 292 R N 4.433 124.910 120.500 -0.039 0.000 2.439 292 R HA 0.651 5.006 4.340 0.026 0.000 0.310 292 R C -1.190 175.087 176.300 -0.039 0.000 0.955 292 R CA -0.725 55.352 56.100 -0.038 0.000 0.853 292 R CB 2.042 32.319 30.300 -0.037 0.000 1.171 292 R HN 0.477 nan 8.270 nan 0.000 0.449 293 L N 2.944 124.145 121.223 -0.036 0.000 2.333 293 L HA 0.428 4.784 4.340 0.026 0.000 0.280 293 L C -0.374 176.474 176.870 -0.037 0.000 1.004 293 L CA -1.008 53.810 54.840 -0.037 0.000 0.820 293 L CB 1.940 43.982 42.059 -0.028 0.000 1.247 293 L HN 0.504 nan 8.230 nan 0.000 0.416 294 N N 1.604 120.276 118.700 -0.047 0.000 2.514 294 N HA 0.437 5.193 4.740 0.026 0.000 0.277 294 N C -1.027 174.441 175.510 -0.071 0.000 1.126 294 N CA -0.303 52.714 53.050 -0.055 0.000 0.978 294 N CB 1.762 40.218 38.487 -0.050 0.000 1.106 294 N HN 0.201 nan 8.380 nan 0.000 0.461 295 V N 1.733 121.588 119.914 -0.098 0.000 2.483 295 V HA 0.270 4.406 4.120 0.026 0.000 0.297 295 V C -0.371 175.640 176.094 -0.139 0.000 1.027 295 V CA -0.847 61.355 62.300 -0.165 0.000 0.855 295 V CB 1.457 33.070 31.823 -0.350 0.000 0.995 295 V HN 0.577 nan 8.190 nan 0.000 0.424 296 E N 2.823 122.966 120.200 -0.094 0.000 2.266 296 E HA 0.333 4.699 4.350 0.026 0.000 0.277 296 E C 0.268 176.842 176.600 -0.044 0.000 1.018 296 E CA -0.425 55.943 56.400 -0.052 0.000 0.840 296 E CB 0.806 30.487 29.700 -0.030 0.000 1.082 296 E HN 0.748 nan 8.360 nan 0.000 0.395 297 N N 0.717 119.413 118.700 -0.006 0.000 2.716 297 N HA -0.152 4.604 4.740 0.026 0.000 0.250 297 N C -2.458 173.053 175.510 0.002 0.000 1.033 297 N CA 0.189 53.251 53.050 0.019 0.000 0.727 297 N CB -1.147 37.354 38.487 0.023 0.000 0.950 297 N HN 0.328 nan 8.380 nan 0.000 0.541 298 P HA -0.044 nan 4.420 nan 0.000 0.266 298 P C -0.412 176.924 177.300 0.060 0.000 1.193 298 P CA 0.532 63.535 63.100 -0.160 0.000 0.770 298 P CB 0.659 32.072 31.700 -0.478 0.000 0.836 299 K N 2.628 123.156 120.400 0.212 0.000 2.349 299 K HA 0.276 4.612 4.320 0.026 0.000 0.288 299 K C 0.256 177.023 176.600 0.278 0.000 1.058 299 K CA -0.401 56.004 56.287 0.196 0.000 0.953 299 K CB 0.184 32.770 32.500 0.144 0.000 0.997 299 K HN 0.416 nan 8.250 nan 0.000 0.477 300 L N 2.620 123.938 121.223 0.157 0.000 2.395 300 L HA 0.262 4.618 4.340 0.026 0.000 0.269 300 L C 0.040 177.001 176.870 0.152 0.000 1.133 300 L CA -0.714 54.217 54.840 0.151 0.000 0.812 300 L CB 0.376 42.364 42.059 -0.118 0.000 1.125 300 L HN 0.621 nan 8.230 nan 0.000 0.452 301 W N 3.221 124.554 121.300 0.055 0.000 2.376 301 W HA 0.471 5.146 4.660 0.025 0.000 0.322 301 W C -0.006 176.460 176.519 -0.089 0.000 1.160 301 W CA 0.114 57.476 57.345 0.028 0.000 1.218 301 W CB 1.315 30.843 29.460 0.113 0.000 1.205 301 W HN 0.616 nan 8.180 nan 0.000 0.559 302 S N 2.784 117.955 115.700 -0.882 0.000 2.615 302 S HA 0.624 5.110 4.470 0.026 0.000 0.269 302 S C -0.033 173.770 174.600 -1.328 0.000 1.161 302 S CA -0.374 57.332 58.200 -0.823 0.000 0.817 302 S CB 1.106 64.108 63.200 -0.329 0.000 1.131 302 S HN 1.029 nan 8.310 nan 0.000 0.467 303 A N 0.298 122.525 122.820 -0.988 0.000 2.119 303 A HA 0.118 4.454 4.320 0.026 0.000 0.217 303 A C 1.699 178.963 177.584 -0.532 0.000 1.153 303 A CA 1.211 52.678 52.037 -0.950 0.000 0.692 303 A CB -0.847 17.486 19.000 -1.112 0.000 0.799 303 A HN 0.858 nan 8.150 nan 0.000 0.458 304 E N -0.740 119.281 120.200 -0.298 0.000 2.072 304 E HA 0.081 4.447 4.350 0.026 0.000 0.190 304 E C -0.256 176.203 176.600 -0.234 0.000 0.982 304 E CA 0.689 56.976 56.400 -0.188 0.000 0.803 304 E CB 0.064 29.786 29.700 0.036 0.000 0.755 304 E HN 0.572 nan 8.360 nan 0.000 0.453 305 I N 1.704 122.111 120.570 -0.273 0.000 2.540 305 I HA 0.144 4.330 4.170 0.026 0.000 0.280 305 I C -2.493 173.399 176.117 -0.375 0.000 1.083 305 I CA -1.865 59.294 61.300 -0.235 0.000 1.080 305 I CB 2.459 40.376 38.000 -0.139 0.000 1.205 305 I HN -0.199 nan 8.210 nan 0.000 0.459 306 P HA 0.068 nan 4.420 nan 0.000 0.225 306 P C -0.562 176.729 177.300 -0.015 0.000 1.768 306 P CA -0.223 62.579 63.100 -0.497 0.000 0.943 306 P CB -0.296 31.269 31.700 -0.225 0.000 1.936 307 N N 1.472 120.185 118.700 0.022 0.000 2.454 307 N HA 0.115 4.871 4.740 0.026 0.000 0.260 307 N C 0.110 175.836 175.510 0.361 0.000 1.218 307 N CA 0.493 53.633 53.050 0.148 0.000 0.904 307 N CB 0.786 39.359 38.487 0.144 0.000 1.065 307 N HN 0.299 nan 8.380 nan 0.000 0.462 308 L N 2.246 123.609 121.223 0.234 0.000 2.371 308 L HA 0.472 4.828 4.340 0.026 0.000 0.262 308 L C -0.799 176.173 176.870 0.170 0.000 1.006 308 L CA -0.870 54.158 54.840 0.314 0.000 0.818 308 L CB 1.295 43.499 42.059 0.242 0.000 1.354 308 L HN 0.383 nan 8.230 nan 0.000 0.415 309 Y N 0.227 120.681 120.300 0.257 0.000 2.631 309 Y HA 0.645 5.211 4.550 0.027 0.000 0.328 309 Y C -0.161 175.859 175.900 0.201 0.000 1.118 309 Y CA -0.888 57.364 58.100 0.253 0.000 1.206 309 Y CB 1.479 40.155 38.460 0.359 0.000 1.337 309 Y HN 0.375 nan 8.280 nan 0.000 0.515 310 R N 0.953 121.685 120.500 0.385 0.000 2.409 310 R HA 0.775 5.131 4.340 0.026 0.000 0.313 310 R C -1.579 174.905 176.300 0.307 0.000 0.953 310 R CA -0.452 55.808 56.100 0.266 0.000 0.849 310 R CB 0.923 31.310 30.300 0.146 0.000 1.171 310 R HN 0.748 nan 8.270 nan 0.000 0.458 311 A N 3.887 126.834 122.820 0.211 0.000 2.274 311 A HA 0.584 4.920 4.320 0.026 0.000 0.309 311 A C -0.898 176.745 177.584 0.098 0.000 1.226 311 A CA -0.578 51.559 52.037 0.165 0.000 0.853 311 A CB 1.130 20.196 19.000 0.110 0.000 1.146 311 A HN 0.494 nan 8.150 nan 0.000 0.518 312 V N 3.657 123.634 119.914 0.104 0.000 2.448 312 V HA 0.373 4.509 4.120 0.026 0.000 0.295 312 V C -0.400 175.671 176.094 -0.037 0.000 1.025 312 V CA -0.465 61.843 62.300 0.013 0.000 0.859 312 V CB 1.709 33.570 31.823 0.063 0.000 0.988 312 V HN 0.625 nan 8.190 nan 0.000 0.431 313 V N 4.891 124.718 119.914 -0.145 0.000 2.328 313 V HA 0.437 4.573 4.120 0.026 0.000 0.278 313 V C -0.060 175.979 176.094 -0.092 0.000 1.021 313 V CA -0.581 61.611 62.300 -0.180 0.000 0.838 313 V CB 1.228 32.792 31.823 -0.431 0.000 0.999 313 V HN 0.908 nan 8.190 nan 0.000 0.447 314 E N 3.740 123.937 120.200 -0.005 0.000 2.166 314 E HA 0.536 4.901 4.350 0.026 0.000 0.275 314 E C -1.097 175.595 176.600 0.152 0.000 0.941 314 E CA -0.886 55.562 56.400 0.080 0.000 0.784 314 E CB 2.567 32.338 29.700 0.118 0.000 1.115 314 E HN 0.464 nan 8.360 nan 0.000 0.399 315 L N 4.513 125.808 121.223 0.121 0.000 2.272 315 L HA 0.427 4.783 4.340 0.026 0.000 0.289 315 L C -1.023 175.945 176.870 0.163 0.000 1.032 315 L CA 0.091 54.983 54.840 0.086 0.000 0.810 315 L CB 0.170 42.269 42.059 0.067 0.000 1.205 315 L HN 0.704 nan 8.230 nan 0.000 0.422 316 H N 0.102 119.208 119.070 0.061 0.000 2.918 316 H HA 0.757 5.329 4.556 0.026 0.000 0.303 316 H C -0.781 174.614 175.328 0.113 0.000 1.380 316 H CA -0.545 55.544 56.048 0.069 0.000 1.134 316 H CB 0.609 30.394 29.762 0.038 0.000 1.842 316 H HN 0.502 nan 8.280 nan 0.000 0.533 317 T N -2.208 112.500 114.554 0.256 0.000 2.912 317 T HA 0.575 4.941 4.350 0.026 0.000 0.280 317 T C 1.370 176.219 174.700 0.249 0.000 0.989 317 T CA -0.400 61.842 62.100 0.237 0.000 0.995 317 T CB 1.561 70.522 68.868 0.154 0.000 1.077 317 T HN 0.918 nan 8.240 nan 0.000 0.531 318 A N 0.939 123.875 122.820 0.193 0.000 1.972 318 A HA -0.053 4.283 4.320 0.026 0.000 0.219 318 A C 1.776 179.431 177.584 0.118 0.000 1.169 318 A CA 1.728 53.857 52.037 0.153 0.000 0.635 318 A CB -1.209 17.865 19.000 0.123 0.000 0.810 318 A HN 0.994 nan 8.150 nan 0.000 0.446 319 D N -2.246 118.196 120.400 0.071 0.000 2.378 319 D HA 0.275 4.930 4.640 0.026 0.000 0.227 319 D C 1.108 177.432 176.300 0.041 0.000 1.012 319 D CA 1.037 55.055 54.000 0.030 0.000 0.905 319 D CB -0.453 40.336 40.800 -0.018 0.000 0.895 319 D HN 0.756 nan 8.370 nan 0.000 0.532 320 G N -1.278 107.577 108.800 0.092 0.000 2.179 320 G HA2 -0.223 3.752 3.960 0.026 0.000 0.220 320 G HA3 -0.223 3.752 3.960 0.026 0.000 0.220 320 G C 0.255 175.172 174.900 0.028 0.000 0.990 320 G CA 0.086 45.209 45.100 0.038 0.000 0.646 320 G HN 0.424 nan 8.290 nan 0.000 0.517 321 T N 1.638 116.231 114.554 0.065 0.000 2.780 321 T HA 0.535 4.900 4.350 0.026 0.000 0.294 321 T C 0.245 175.005 174.700 0.099 0.000 0.949 321 T CA -0.232 61.900 62.100 0.052 0.000 1.074 321 T CB 2.022 70.910 68.868 0.034 0.000 0.910 321 T HN 0.541 nan 8.240 nan 0.000 0.501 322 L N 4.566 125.825 121.223 0.061 0.000 2.380 322 L HA 0.362 4.717 4.340 0.026 0.000 0.273 322 L C 0.757 177.679 176.870 0.088 0.000 1.138 322 L CA 0.326 55.220 54.840 0.089 0.000 0.832 322 L CB 0.141 42.222 42.059 0.038 0.000 1.124 322 L HN 0.701 nan 8.230 nan 0.000 0.454 323 I N 2.503 123.137 120.570 0.108 0.000 2.512 323 I HA 0.127 4.313 4.170 0.026 0.000 0.247 323 I C 0.316 176.461 176.117 0.046 0.000 1.094 323 I CA 0.481 61.824 61.300 0.072 0.000 1.427 323 I CB 0.097 38.142 38.000 0.075 0.000 1.149 323 I HN 0.806 nan 8.210 nan 0.000 0.438 324 E N 0.158 120.387 120.200 0.048 0.000 2.432 324 E HA 0.712 5.078 4.350 0.026 0.000 0.279 324 E C -1.529 175.098 176.600 0.045 0.000 1.099 324 E CA -1.117 55.304 56.400 0.034 0.000 0.859 324 E CB 1.682 31.368 29.700 -0.023 0.000 1.402 324 E HN -0.020 nan 8.360 nan 0.000 0.451 325 A N 0.879 123.749 122.820 0.083 0.000 2.449 325 A HA 0.705 5.041 4.320 0.026 0.000 0.302 325 A C -1.032 176.658 177.584 0.176 0.000 1.048 325 A CA -0.702 51.390 52.037 0.091 0.000 0.708 325 A CB 1.738 20.802 19.000 0.106 0.000 1.274 325 A HN 0.493 nan 8.150 nan 0.000 0.410 326 E N -0.353 119.881 120.200 0.056 0.000 2.393 326 E HA 0.878 5.244 4.350 0.026 0.000 0.265 326 E C -0.429 176.209 176.600 0.063 0.000 0.941 326 E CA -0.370 56.118 56.400 0.146 0.000 0.801 326 E CB 2.357 32.019 29.700 -0.063 0.000 1.313 326 E HN 1.323 nan 8.360 nan 0.000 0.435 327 A N -0.318 122.643 122.820 0.235 0.000 2.515 327 A HA 0.681 5.017 4.320 0.026 0.000 0.292 327 A C -1.296 176.483 177.584 0.325 0.000 1.065 327 A CA -0.271 51.838 52.037 0.119 0.000 0.641 327 A CB 0.525 19.545 19.000 0.034 0.000 1.306 327 A HN 0.896 nan 8.150 nan 0.000 0.441 328 C N -0.714 118.731 119.300 0.241 0.000 3.311 328 C HA 0.808 5.284 4.460 0.026 0.000 0.325 328 C C -1.400 173.686 174.990 0.161 0.000 1.352 328 C CA -0.913 58.247 59.018 0.237 0.000 1.308 328 C CB 1.045 28.941 27.740 0.260 0.000 1.619 328 C HN 0.831 nan 8.230 nan 0.000 0.469 329 D N 0.963 121.443 120.400 0.133 0.000 2.302 329 D HA 0.575 5.231 4.640 0.026 0.000 0.248 329 D C -0.360 175.998 176.300 0.096 0.000 1.094 329 D CA 0.172 54.252 54.000 0.133 0.000 0.897 329 D CB 1.837 42.718 40.800 0.135 0.000 1.200 329 D HN 0.563 nan 8.370 nan 0.000 0.429 330 V N 0.981 120.978 119.914 0.139 0.000 2.540 330 V HA 0.666 4.802 4.120 0.026 0.000 0.302 330 V C 0.527 176.697 176.094 0.126 0.000 1.035 330 V CA -0.895 61.436 62.300 0.051 0.000 0.873 330 V CB 2.105 33.938 31.823 0.017 0.000 0.992 330 V HN 0.606 nan 8.190 nan 0.000 0.428 331 G N 2.974 111.747 108.800 -0.045 0.000 2.533 331 G HA2 0.589 4.565 3.960 0.026 0.000 0.310 331 G HA3 0.589 4.565 3.960 0.026 0.000 0.310 331 G C -0.963 174.002 174.900 0.107 0.000 1.266 331 G CA -0.356 44.779 45.100 0.058 0.000 0.967 331 G HN 0.438 nan 8.290 nan 0.000 0.493 332 F N 4.196 124.331 119.950 0.309 0.000 2.468 332 F HA 0.407 4.950 4.527 0.026 0.000 0.356 332 F C 1.181 177.230 175.800 0.415 0.000 1.167 332 F CA -0.052 58.193 58.000 0.408 0.000 1.135 332 F CB 0.568 39.812 39.000 0.406 0.000 1.197 332 F HN 0.455 nan 8.300 nan 0.000 0.569 333 R N 3.085 123.857 120.500 0.454 0.000 2.663 333 R HA 0.420 4.776 4.340 0.026 0.000 0.267 333 R C -1.834 174.610 176.300 0.239 0.000 1.038 333 R CA -0.810 55.401 56.100 0.187 0.000 0.886 333 R CB 1.681 32.124 30.300 0.238 0.000 1.249 333 R HN 0.554 nan 8.270 nan 0.000 0.463 334 E N 2.099 122.351 120.200 0.087 0.000 2.199 334 E HA 0.491 4.857 4.350 0.026 0.000 0.269 334 E C -1.291 175.379 176.600 0.117 0.000 0.899 334 E CA -0.939 55.596 56.400 0.226 0.000 0.772 334 E CB 2.216 32.152 29.700 0.394 0.000 1.155 334 E HN 0.395 nan 8.360 nan 0.000 0.408 335 V N 5.252 125.230 119.914 0.106 0.000 2.487 335 V HA 0.582 4.718 4.120 0.026 0.000 0.298 335 V C -0.248 175.885 176.094 0.066 0.000 1.028 335 V CA -0.657 61.676 62.300 0.055 0.000 0.860 335 V CB 1.387 33.221 31.823 0.017 0.000 0.991 335 V HN 0.755 nan 8.190 nan 0.000 0.427 336 R N 4.376 124.911 120.500 0.058 0.000 2.692 336 R HA 0.722 5.078 4.340 0.026 0.000 0.269 336 R C -2.179 174.148 176.300 0.044 0.000 1.030 336 R CA -0.920 55.217 56.100 0.062 0.000 0.882 336 R CB 1.977 32.331 30.300 0.089 0.000 1.250 336 R HN 0.525 nan 8.270 nan 0.000 0.465 337 I N 1.177 121.774 120.570 0.044 0.000 2.378 337 I HA 0.375 4.560 4.170 0.026 0.000 0.291 337 I C -0.703 175.437 176.117 0.038 0.000 0.992 337 I CA -0.518 60.801 61.300 0.033 0.000 1.154 337 I CB 1.955 39.976 38.000 0.034 0.000 1.315 337 I HN 0.709 nan 8.210 nan 0.000 0.448 338 E N 5.840 126.059 120.200 0.031 0.000 2.290 338 E HA 0.242 4.608 4.350 0.026 0.000 0.274 338 E C -0.317 176.297 176.600 0.023 0.000 0.889 338 E CA -0.550 55.870 56.400 0.033 0.000 0.760 338 E CB 1.147 30.874 29.700 0.044 0.000 1.206 338 E HN 0.557 nan 8.360 nan 0.000 0.419 339 N N 3.028 121.741 118.700 0.023 0.000 2.708 339 N HA -0.241 4.515 4.740 0.026 0.000 0.249 339 N C 0.479 175.996 175.510 0.010 0.000 1.097 339 N CA 2.204 55.264 53.050 0.016 0.000 0.710 339 N CB -1.163 37.333 38.487 0.014 0.000 1.032 339 N HN 0.993 nan 8.380 nan 0.000 0.551 340 G N -2.495 106.311 108.800 0.011 0.000 2.176 340 G HA2 -0.275 3.700 3.960 0.026 0.000 0.253 340 G HA3 -0.275 3.700 3.960 0.026 0.000 0.253 340 G C -0.076 174.820 174.900 -0.007 0.000 0.979 340 G CA 0.450 45.552 45.100 0.004 0.000 0.641 340 G HN 0.448 nan 8.290 nan 0.000 0.530 341 L N 0.054 121.273 121.223 -0.006 0.000 2.342 341 L HA 0.738 5.094 4.340 0.026 0.000 0.271 341 L C 0.020 176.879 176.870 -0.019 0.000 1.008 341 L CA -1.349 53.479 54.840 -0.021 0.000 0.818 341 L CB 1.876 43.923 42.059 -0.021 0.000 1.296 341 L HN 0.095 nan 8.230 nan 0.000 0.427 342 L N 3.899 125.098 121.223 -0.039 0.000 2.278 342 L HA 0.446 4.802 4.340 0.026 0.000 0.287 342 L C -0.831 176.013 176.870 -0.044 0.000 1.072 342 L CA 0.341 55.158 54.840 -0.038 0.000 0.819 342 L CB 0.335 42.357 42.059 -0.061 0.000 1.176 342 L HN 0.361 nan 8.230 nan 0.000 0.435 343 L N 5.828 127.041 121.223 -0.017 0.000 2.334 343 L HA 0.547 4.903 4.340 0.026 0.000 0.276 343 L C -0.820 176.046 176.870 -0.006 0.000 1.014 343 L CA -0.856 53.980 54.840 -0.007 0.000 0.815 343 L CB 1.889 43.967 42.059 0.031 0.000 1.268 343 L HN 0.532 nan 8.230 nan 0.000 0.428 344 L N 3.875 125.100 121.223 0.005 0.000 2.343 344 L HA 0.483 4.839 4.340 0.026 0.000 0.278 344 L C -0.256 176.604 176.870 -0.016 0.000 0.996 344 L CA 0.024 54.871 54.840 0.011 0.000 0.831 344 L CB 0.832 42.901 42.059 0.016 0.000 1.232 344 L HN 0.606 nan 8.230 nan 0.000 0.413 345 N N 4.002 122.547 118.700 -0.259 0.000 2.735 345 N HA -0.211 4.545 4.740 0.026 0.000 0.248 345 N C 0.929 176.018 175.510 -0.701 0.000 1.083 345 N CA 1.303 53.844 53.050 -0.848 0.000 0.703 345 N CB -1.411 36.511 38.487 -0.940 0.000 1.005 345 N HN 1.189 nan 8.380 nan 0.000 0.550 346 G N -2.072 106.623 108.800 -0.176 0.000 2.184 346 G HA2 -0.362 3.614 3.960 0.026 0.000 0.264 346 G HA3 -0.362 3.614 3.960 0.026 0.000 0.264 346 G C -0.033 174.890 174.900 0.039 0.000 0.975 346 G CA 0.992 46.138 45.100 0.076 0.000 0.642 346 G HN 0.406 nan 8.290 nan 0.000 0.536 347 K N 0.645 121.059 120.400 0.022 0.000 2.259 347 K HA 0.565 4.901 4.320 0.026 0.000 0.249 347 K C -2.731 173.840 176.600 -0.049 0.000 0.942 347 K CA -2.402 53.866 56.287 -0.032 0.000 0.816 347 K CB 2.353 34.767 32.500 -0.143 0.000 1.155 347 K HN 0.054 nan 8.250 nan 0.000 0.428 348 P HA 0.212 nan 4.420 nan 0.000 0.282 348 P C -0.118 177.116 177.300 -0.110 0.000 1.262 348 P CA -0.275 62.777 63.100 -0.080 0.000 0.773 348 P CB 0.519 32.176 31.700 -0.072 0.000 0.879 349 L N 3.353 124.506 121.223 -0.117 0.000 2.464 349 L HA 0.283 4.639 4.340 0.026 0.000 0.264 349 L C 0.676 177.462 176.870 -0.140 0.000 1.199 349 L CA -0.491 54.268 54.840 -0.136 0.000 0.818 349 L CB 0.223 42.161 42.059 -0.202 0.000 1.102 349 L HN 0.274 nan 8.230 nan 0.000 0.473 350 L N 3.417 124.573 121.223 -0.112 0.000 2.485 350 L HA 0.411 4.767 4.340 0.026 0.000 0.260 350 L C -0.637 176.183 176.870 -0.085 0.000 0.998 350 L CA -0.205 54.554 54.840 -0.134 0.000 0.883 350 L CB 0.809 42.817 42.059 -0.086 0.000 1.196 350 L HN 0.240 nan 8.230 nan 0.000 0.443 351 I N 4.476 124.930 120.570 -0.193 0.000 2.421 351 I HA 0.182 4.368 4.170 0.026 0.000 0.291 351 I C 0.643 176.721 176.117 -0.064 0.000 1.089 351 I CA 0.266 61.469 61.300 -0.161 0.000 1.354 351 I CB 0.422 38.200 38.000 -0.370 0.000 1.413 351 I HN 0.555 nan 8.210 nan 0.000 0.513 352 R N 4.780 125.327 120.500 0.080 0.000 3.070 352 R HA 0.412 4.767 4.340 0.026 0.000 0.252 352 R C 0.558 176.964 176.300 0.177 0.000 1.370 352 R CA -0.267 55.919 56.100 0.143 0.000 1.482 352 R CB 0.690 30.891 30.300 -0.165 0.000 1.220 352 R HN 0.762 nan 8.270 nan 0.000 0.622 353 G N 0.140 109.001 108.800 0.102 0.000 2.491 353 G HA2 0.547 4.523 3.960 0.026 0.000 0.327 353 G HA3 0.547 4.523 3.960 0.026 0.000 0.327 353 G C -1.231 173.957 174.900 0.481 0.000 1.189 353 G CA -0.429 44.721 45.100 0.083 0.000 0.956 353 G HN 0.237 nan 8.290 nan 0.000 0.491 354 V N 0.378 120.564 119.914 0.454 0.000 2.888 354 V HA 0.449 4.585 4.120 0.026 0.000 0.309 354 V C -0.956 175.272 176.094 0.223 0.000 1.114 354 V CA -1.226 61.226 62.300 0.253 0.000 0.940 354 V CB 2.130 33.820 31.823 -0.223 0.000 1.021 354 V HN 0.776 nan 8.190 nan 0.000 0.426 355 N N 4.484 123.235 118.700 0.086 0.000 2.529 355 N HA 0.422 5.178 4.740 0.026 0.000 0.278 355 N C -0.694 174.616 175.510 -0.333 0.000 1.146 355 N CA -0.251 52.713 53.050 -0.144 0.000 0.980 355 N CB 1.352 39.700 38.487 -0.232 0.000 1.124 355 N HN 0.621 nan 8.380 nan 0.000 0.458 356 R N 1.935 122.205 120.500 -0.384 0.000 2.515 356 R HA 0.213 4.569 4.340 0.026 0.000 0.291 356 R C -1.076 174.979 176.300 -0.408 0.000 1.046 356 R CA -0.539 55.351 56.100 -0.351 0.000 0.914 356 R CB 0.930 31.010 30.300 -0.367 0.000 1.191 356 R HN 0.607 nan 8.270 nan 0.000 0.435 357 H N 1.956 120.884 119.070 -0.235 0.000 2.495 357 H HA 0.158 4.731 4.556 0.027 0.000 0.350 357 H C -0.501 174.824 175.328 -0.005 0.000 1.202 357 H CA -0.109 55.894 56.048 -0.076 0.000 1.322 357 H CB 1.536 31.320 29.762 0.037 0.000 1.544 357 H HN 0.554 nan 8.280 nan 0.000 0.565 358 E N 1.659 122.053 120.200 0.323 0.000 1.893 358 E HA 0.083 4.448 4.350 0.026 0.000 0.269 358 E C -0.783 175.956 176.600 0.232 0.000 1.129 358 E CA -0.009 56.501 56.400 0.183 0.000 0.904 358 E CB 0.052 29.887 29.700 0.226 0.000 1.077 358 E HN 0.346 nan 8.360 nan 0.000 0.407 359 H N 1.519 120.649 119.070 0.100 0.000 2.771 359 H HA 0.281 4.853 4.556 0.026 0.000 0.361 359 H C -1.583 173.795 175.328 0.084 0.000 1.108 359 H CA -0.685 55.413 56.048 0.084 0.000 1.201 359 H CB 1.089 30.885 29.762 0.057 0.000 1.681 359 H HN 0.355 nan 8.280 nan 0.000 0.534 360 H N 6.133 124.780 119.070 -0.705 0.000 2.782 360 H HA 0.210 4.782 4.556 0.026 0.000 0.347 360 H C -2.327 172.668 175.328 -0.555 0.000 1.038 360 H CA -2.381 53.427 56.048 -0.401 0.000 1.255 360 H CB 2.680 32.325 29.762 -0.196 0.000 1.623 360 H HN 0.540 nan 8.280 nan 0.000 0.525 361 P HA -0.087 nan 4.420 nan 0.000 0.221 361 P C 1.071 178.289 177.300 -0.136 0.000 1.145 361 P CA 0.887 63.857 63.100 -0.216 0.000 0.795 361 P CB 0.751 32.349 31.700 -0.169 0.000 0.775 362 L N -2.258 118.992 121.223 0.045 0.000 2.467 362 L HA 0.160 4.516 4.340 0.026 0.000 0.213 362 L C 2.087 178.842 176.870 -0.192 0.000 1.053 362 L CA 0.452 55.217 54.840 -0.126 0.000 0.847 362 L CB -0.609 41.283 42.059 -0.279 0.000 1.075 362 L HN -0.022 nan 8.230 nan 0.000 0.479 363 H N -0.341 118.702 119.070 -0.044 0.000 2.551 363 H HA 0.274 4.846 4.556 0.026 0.000 0.271 363 H C 1.458 176.670 175.328 -0.194 0.000 0.984 363 H CA 0.157 56.070 56.048 -0.226 0.000 1.164 363 H CB 0.506 30.001 29.762 -0.444 0.000 1.437 363 H HN 0.383 nan 8.280 nan 0.000 0.550 364 G N 1.557 110.266 108.800 -0.151 0.000 2.595 364 G HA2 -0.398 3.578 3.960 0.026 0.000 0.297 364 G HA3 -0.398 3.578 3.960 0.026 0.000 0.297 364 G C 0.706 175.487 174.900 -0.198 0.000 1.181 364 G CA 0.448 45.394 45.100 -0.257 0.000 0.963 364 G HN 0.468 nan 8.290 nan 0.000 0.541 365 Q N -0.078 119.649 119.800 -0.121 0.000 2.179 365 Q HA 0.480 4.836 4.340 0.026 0.000 0.213 365 Q C 0.184 176.272 176.000 0.147 0.000 0.833 365 Q CA -0.148 55.635 55.803 -0.035 0.000 0.990 365 Q CB 1.567 30.179 28.738 -0.211 0.000 1.132 365 Q HN 0.368 nan 8.270 nan 0.000 0.493 366 V N 2.120 122.093 119.914 0.100 0.000 2.488 366 V HA 0.161 4.297 4.120 0.026 0.000 0.277 366 V C 0.157 176.297 176.094 0.076 0.000 1.046 366 V CA 0.176 62.541 62.300 0.109 0.000 0.986 366 V CB 0.850 32.672 31.823 -0.002 0.000 0.989 366 V HN 0.320 nan 8.190 nan 0.000 0.475 367 M N 5.278 124.929 119.600 0.085 0.000 2.472 367 M HA 0.505 5.001 4.480 0.026 0.000 0.331 367 M C -0.334 175.938 176.300 -0.047 0.000 1.170 367 M CA -0.606 54.707 55.300 0.022 0.000 1.009 367 M CB 1.817 34.384 32.600 -0.055 0.000 1.672 367 M HN 0.845 nan 8.290 nan 0.000 0.453 368 D N 0.178 120.563 120.400 -0.026 0.000 2.490 368 D HA 0.221 4.877 4.640 0.026 0.000 0.232 368 D C 0.106 176.399 176.300 -0.012 0.000 1.053 368 D CA -0.441 53.542 54.000 -0.028 0.000 0.914 368 D CB 1.867 42.677 40.800 0.017 0.000 1.431 368 D HN 0.720 nan 8.370 nan 0.000 0.483 369 E N 0.081 120.283 120.200 0.003 0.000 2.085 369 E HA -0.274 4.092 4.350 0.026 0.000 0.194 369 E C 1.758 178.407 176.600 0.081 0.000 0.994 369 E CA 1.219 57.647 56.400 0.046 0.000 0.801 369 E CB 0.153 29.894 29.700 0.068 0.000 0.743 369 E HN 0.516 nan 8.360 nan 0.000 0.453 370 Q N -0.254 119.596 119.800 0.083 0.000 2.096 370 Q HA -0.165 4.191 4.340 0.026 0.000 0.204 370 Q C 2.016 178.080 176.000 0.108 0.000 0.982 370 Q CA 2.152 58.012 55.803 0.096 0.000 0.850 370 Q CB -0.046 28.750 28.738 0.096 0.000 0.901 370 Q HN 0.301 nan 8.270 nan 0.000 0.422 371 T N 0.859 115.487 114.554 0.124 0.000 2.777 371 T HA -0.106 4.259 4.350 0.026 0.000 0.266 371 T C 1.876 176.659 174.700 0.138 0.000 1.040 371 T CA 1.331 63.515 62.100 0.140 0.000 1.141 371 T CB -0.127 68.852 68.868 0.186 0.000 0.868 371 T HN 0.289 nan 8.240 nan 0.000 0.444 372 M N 0.564 120.250 119.600 0.143 0.000 2.080 372 M HA -0.114 4.382 4.480 0.026 0.000 0.260 372 M C 2.457 178.881 176.300 0.207 0.000 1.068 372 M CA 1.438 56.891 55.300 0.255 0.000 1.109 372 M CB -0.643 32.128 32.600 0.285 0.000 1.342 372 M HN 0.104 nan 8.290 nan 0.000 0.405 373 V N 0.170 120.149 119.914 0.109 0.000 2.343 373 V HA -0.300 3.836 4.120 0.026 0.000 0.247 373 V C 2.312 178.392 176.094 -0.023 0.000 1.051 373 V CA 2.110 64.412 62.300 0.003 0.000 1.036 373 V CB -0.872 30.989 31.823 0.064 0.000 0.654 373 V HN 0.563 nan 8.190 nan 0.000 0.451 374 Q N -0.302 119.532 119.800 0.057 0.000 2.096 374 Q HA -0.267 4.089 4.340 0.026 0.000 0.204 374 Q C 1.961 178.022 176.000 0.102 0.000 0.982 374 Q CA 2.127 57.975 55.803 0.076 0.000 0.850 374 Q CB -0.133 28.668 28.738 0.104 0.000 0.901 374 Q HN 0.611 nan 8.270 nan 0.000 0.422 375 D N 0.282 120.762 120.400 0.134 0.000 2.117 375 D HA -0.128 4.528 4.640 0.026 0.000 0.197 375 D C 1.887 178.136 176.300 -0.086 0.000 0.987 375 D CA 1.048 55.125 54.000 0.128 0.000 0.829 375 D CB -0.126 40.736 40.800 0.104 0.000 0.961 375 D HN 0.358 nan 8.370 nan 0.000 0.460 376 I N 0.538 121.055 120.570 -0.088 0.000 2.315 376 I HA -0.211 3.974 4.170 0.026 0.000 0.248 376 I C 2.337 178.301 176.117 -0.255 0.000 1.117 376 I CA 0.528 61.672 61.300 -0.260 0.000 1.404 376 I CB -0.010 37.725 38.000 -0.442 0.000 1.071 376 I HN -0.011 nan 8.210 nan 0.000 0.419 377 L N -0.068 121.040 121.223 -0.191 0.000 2.056 377 L HA -0.207 4.148 4.340 0.026 0.000 0.207 377 L C 2.484 179.395 176.870 0.068 0.000 1.078 377 L CA 1.248 56.052 54.840 -0.060 0.000 0.749 377 L CB -0.432 41.616 42.059 -0.018 0.000 0.901 377 L HN 0.263 nan 8.230 nan 0.000 0.433 378 L N -1.020 120.266 121.223 0.105 0.000 2.093 378 L HA -0.224 4.131 4.340 0.026 0.000 0.208 378 L C 2.655 179.666 176.870 0.235 0.000 1.085 378 L CA 1.223 56.210 54.840 0.245 0.000 0.755 378 L CB -0.269 42.057 42.059 0.444 0.000 0.904 378 L HN 0.288 nan 8.230 nan 0.000 0.435 379 M N -0.600 118.967 119.600 -0.055 0.000 2.065 379 M HA -0.252 4.244 4.480 0.026 0.000 0.259 379 M C 2.288 178.669 176.300 0.134 0.000 1.069 379 M CA 1.900 57.093 55.300 -0.178 0.000 1.110 379 M CB -0.354 31.917 32.600 -0.549 0.000 1.328 379 M HN 0.081 nan 8.290 nan 0.000 0.405 380 K N -0.042 120.343 120.400 -0.025 0.000 2.097 380 K HA -0.170 4.166 4.320 0.026 0.000 0.205 380 K C 1.966 178.560 176.600 -0.009 0.000 1.050 380 K CA 1.262 57.438 56.287 -0.185 0.000 0.938 380 K CB -0.226 31.979 32.500 -0.493 0.000 0.718 380 K HN 0.465 nan 8.250 nan 0.000 0.442 381 Q N 0.395 120.347 119.800 0.252 0.000 2.226 381 Q HA -0.048 4.308 4.340 0.026 0.000 0.204 381 Q C 0.876 177.161 176.000 0.475 0.000 0.975 381 Q CA 0.780 56.836 55.803 0.422 0.000 0.866 381 Q CB 0.113 29.064 28.738 0.354 0.000 0.915 381 Q HN 0.274 nan 8.270 nan 0.000 0.440 382 N N 0.642 119.579 118.700 0.396 0.000 2.279 382 N HA 0.050 4.806 4.740 0.026 0.000 0.226 382 N C -0.657 174.958 175.510 0.175 0.000 1.126 382 N CA 0.039 53.318 53.050 0.380 0.000 0.846 382 N CB 0.672 39.470 38.487 0.518 0.000 1.050 382 N HN 0.175 nan 8.380 nan 0.000 0.502 383 N N 0.087 118.901 118.700 0.190 0.000 2.776 383 N HA -0.187 4.569 4.740 0.026 0.000 0.250 383 N C -0.868 174.546 175.510 -0.160 0.000 1.112 383 N CA 0.801 53.912 53.050 0.101 0.000 0.733 383 N CB -1.775 36.714 38.487 0.003 0.000 1.097 383 N HN 0.244 nan 8.380 nan 0.000 0.558 384 F N 1.159 121.128 119.950 0.031 0.000 2.385 384 F HA 0.325 4.867 4.527 0.026 0.000 0.336 384 F C 1.726 177.517 175.800 -0.015 0.000 1.100 384 F CA -0.624 57.373 58.000 -0.005 0.000 1.116 384 F CB 0.855 39.819 39.000 -0.059 0.000 1.166 384 F HN 0.032 nan 8.300 nan 0.000 0.511 385 N N 0.627 119.436 118.700 0.181 0.000 2.160 385 N HA 0.453 5.209 4.740 0.026 0.000 0.226 385 N C -0.857 174.696 175.510 0.072 0.000 1.256 385 N CA -0.057 53.030 53.050 0.061 0.000 0.890 385 N CB 0.798 39.364 38.487 0.131 0.000 1.116 385 N HN 0.474 nan 8.380 nan 0.000 0.517 386 A N -0.520 122.419 122.820 0.197 0.000 2.594 386 A HA 0.743 5.079 4.320 0.026 0.000 0.295 386 A C -1.784 176.027 177.584 0.378 0.000 1.071 386 A CA -0.717 51.502 52.037 0.304 0.000 0.685 386 A CB 1.788 21.006 19.000 0.363 0.000 1.285 386 A HN 0.198 nan 8.150 nan 0.000 0.405 387 V N 1.387 121.563 119.914 0.436 0.000 2.841 387 V HA 0.811 4.947 4.120 0.026 0.000 0.310 387 V C -0.542 175.681 176.094 0.216 0.000 1.090 387 V CA -0.740 61.767 62.300 0.346 0.000 0.930 387 V CB 1.876 33.838 31.823 0.232 0.000 1.014 387 V HN 1.132 nan 8.190 nan 0.000 0.425 388 R N 5.058 125.531 120.500 -0.045 0.000 2.338 388 R HA 0.467 4.823 4.340 0.026 0.000 0.317 388 R C -0.780 175.372 176.300 -0.246 0.000 0.968 388 R CA -0.449 55.420 56.100 -0.385 0.000 0.849 388 R CB 1.011 30.828 30.300 -0.804 0.000 1.128 388 R HN 0.793 nan 8.270 nan 0.000 0.448 389 C N 4.659 123.848 119.300 -0.185 0.000 2.896 389 C HA 0.105 4.581 4.460 0.026 0.000 0.499 389 C C 0.601 175.313 174.990 -0.463 0.000 1.022 389 C CA -0.392 58.468 59.018 -0.263 0.000 1.127 389 C CB -2.053 25.642 27.740 -0.075 0.000 1.452 389 C HN 0.752 nan 8.230 nan 0.000 0.580 390 S N 1.695 117.006 115.700 -0.648 0.000 2.481 390 S HA 0.148 4.634 4.470 0.026 0.000 0.282 390 S C -0.130 173.598 174.600 -1.454 0.000 1.243 390 S CA 0.227 57.777 58.200 -1.083 0.000 1.078 390 S CB 0.102 62.645 63.200 -1.095 0.000 0.916 390 S HN 0.737 nan 8.310 nan 0.000 0.495 391 H N 3.910 122.418 119.070 -0.937 0.000 2.439 391 H HA 0.327 4.898 4.556 0.026 0.000 0.228 391 H C -1.170 174.072 175.328 -0.144 0.000 1.423 391 H CA -0.344 55.516 56.048 -0.313 0.000 1.386 391 H CB -0.094 29.669 29.762 0.002 0.000 1.641 391 H HN 0.893 nan 8.280 nan 0.000 0.508 392 Y N -2.601 117.809 120.300 0.183 0.000 2.765 392 Y HA 0.392 4.958 4.550 0.027 0.000 0.350 392 Y C -3.371 172.641 175.900 0.187 0.000 1.196 392 Y CA -3.030 55.185 58.100 0.191 0.000 1.119 392 Y CB 0.029 38.610 38.460 0.200 0.000 1.368 392 Y HN -0.062 nan 8.280 nan 0.000 0.463 393 P HA 0.193 nan 4.420 nan 0.000 0.271 393 P C -0.604 176.992 177.300 0.493 0.000 1.216 393 P CA 0.086 63.441 63.100 0.425 0.000 0.776 393 P CB 0.606 32.484 31.700 0.297 0.000 0.881 394 N N 0.506 119.525 118.700 0.532 0.000 2.448 394 N HA 0.088 4.843 4.740 0.026 0.000 0.274 394 N C 0.118 175.898 175.510 0.450 0.000 1.239 394 N CA -0.584 52.706 53.050 0.400 0.000 0.982 394 N CB 0.304 38.845 38.487 0.090 0.000 1.199 394 N HN 0.600 nan 8.380 nan 0.000 0.576 395 H N 2.138 121.339 119.070 0.218 0.000 2.972 395 H HA 0.005 4.576 4.556 0.026 0.000 0.343 395 H C -1.677 173.837 175.328 0.310 0.000 1.054 395 H CA -0.833 55.320 56.048 0.176 0.000 1.412 395 H CB 0.983 30.811 29.762 0.109 0.000 1.385 395 H HN 0.422 nan 8.280 nan 0.000 0.600 396 P HA -0.185 nan 4.420 nan 0.000 0.219 396 P C 1.765 179.390 177.300 0.542 0.000 1.146 396 P CA 0.596 63.948 63.100 0.419 0.000 0.808 396 P CB 0.255 32.047 31.700 0.154 0.000 0.779 397 L N -1.039 120.580 121.223 0.659 0.000 2.275 397 L HA -0.021 4.335 4.340 0.026 0.000 0.215 397 L C 2.352 179.398 176.870 0.293 0.000 1.119 397 L CA 1.283 56.364 54.840 0.402 0.000 0.790 397 L CB -1.403 40.837 42.059 0.302 0.000 0.919 397 L HN 0.004 nan 8.230 nan 0.000 0.443 398 W N -0.464 120.889 121.300 0.089 0.000 2.338 398 W HA -0.336 4.340 4.660 0.025 0.000 0.304 398 W C 2.060 178.440 176.519 -0.231 0.000 1.212 398 W CA 1.953 59.210 57.345 -0.146 0.000 1.264 398 W CB -0.338 28.935 29.460 -0.312 0.000 1.142 398 W HN 0.276 nan 8.180 nan 0.000 0.512 399 Y N 0.599 120.839 120.300 -0.100 0.000 2.181 399 Y HA -0.209 4.356 4.550 0.026 0.000 0.288 399 Y C 2.876 178.547 175.900 -0.381 0.000 1.146 399 Y CA 2.139 59.964 58.100 -0.459 0.000 1.164 399 Y CB -1.393 36.444 38.460 -1.038 0.000 0.982 399 Y HN -0.234 nan 8.280 nan 0.000 0.515 400 T N 0.691 115.261 114.554 0.027 0.000 2.746 400 T HA -0.146 4.220 4.350 0.026 0.000 0.267 400 T C 1.995 176.726 174.700 0.052 0.000 1.039 400 T CA 1.351 63.537 62.100 0.144 0.000 1.142 400 T CB -0.514 68.495 68.868 0.234 0.000 0.866 400 T HN 0.228 nan 8.240 nan 0.000 0.444 401 L N 0.179 121.391 121.223 -0.019 0.000 2.056 401 L HA -0.082 4.274 4.340 0.026 0.000 0.207 401 L C 2.865 179.706 176.870 -0.050 0.000 1.078 401 L CA 0.872 55.723 54.840 0.018 0.000 0.749 401 L CB -0.693 41.348 42.059 -0.030 0.000 0.901 401 L HN 0.366 nan 8.230 nan 0.000 0.433 402 C N -0.127 118.974 119.300 -0.331 0.000 2.425 402 C HA -0.146 4.330 4.460 0.026 0.000 0.277 402 C C 2.426 177.445 174.990 0.049 0.000 1.280 402 C CA 0.473 59.327 59.018 -0.274 0.000 1.744 402 C CB -0.771 26.686 27.740 -0.471 0.000 1.989 402 C HN 0.538 nan 8.230 nan 0.000 0.491 403 D N 0.424 120.864 120.400 0.067 0.000 2.117 403 D HA -0.100 4.556 4.640 0.026 0.000 0.197 403 D C 2.409 178.926 176.300 0.363 0.000 0.987 403 D CA 1.229 55.351 54.000 0.203 0.000 0.829 403 D CB -0.330 40.553 40.800 0.139 0.000 0.961 403 D HN 0.528 nan 8.370 nan 0.000 0.460 404 R N -1.049 119.549 120.500 0.162 0.000 2.100 404 R HA 0.018 4.374 4.340 0.026 0.000 0.220 404 R C 2.149 178.417 176.300 -0.053 0.000 1.091 404 R CA 0.522 56.649 56.100 0.045 0.000 0.986 404 R CB -0.154 30.095 30.300 -0.085 0.000 0.888 404 R HN 0.289 nan 8.270 nan 0.000 0.444 405 Y N 0.030 120.342 120.300 0.021 0.000 2.420 405 Y HA 0.149 4.715 4.550 0.026 0.000 0.292 405 Y C 0.996 176.826 175.900 -0.117 0.000 1.119 405 Y CA 0.716 58.798 58.100 -0.029 0.000 1.229 405 Y CB 0.657 39.070 38.460 -0.078 0.000 1.026 405 Y HN 0.232 nan 8.280 nan 0.000 0.554 406 G N 1.253 110.083 108.800 0.051 0.000 2.830 406 G HA2 -0.150 3.825 3.960 0.026 0.000 0.298 406 G HA3 -0.150 3.825 3.960 0.026 0.000 0.298 406 G C -1.201 173.538 174.900 -0.269 0.000 1.031 406 G CA -0.526 44.474 45.100 -0.166 0.000 1.179 406 G HN 0.172 nan 8.290 nan 0.000 0.527 407 L N 0.970 122.107 121.223 -0.143 0.000 2.472 407 L HA 0.509 4.865 4.340 0.026 0.000 0.260 407 L C -0.081 176.768 176.870 -0.036 0.000 0.963 407 L CA -1.315 53.393 54.840 -0.220 0.000 0.829 407 L CB 1.999 43.964 42.059 -0.156 0.000 1.348 407 L HN 0.468 nan 8.230 nan 0.000 0.408 408 Y N 1.504 121.932 120.300 0.214 0.000 2.319 408 Y HA 0.446 5.014 4.550 0.029 0.000 0.328 408 Y C 0.161 176.185 175.900 0.206 0.000 1.133 408 Y CA -0.705 57.555 58.100 0.266 0.000 1.265 408 Y CB 1.379 39.977 38.460 0.229 0.000 1.218 408 Y HN 0.141 nan 8.280 nan 0.000 0.508 409 V N 3.953 124.048 119.914 0.302 0.000 2.735 409 V HA 0.327 4.463 4.120 0.026 0.000 0.310 409 V C -0.666 175.504 176.094 0.125 0.000 1.061 409 V CA -1.023 61.394 62.300 0.194 0.000 0.913 409 V CB 2.017 33.911 31.823 0.117 0.000 1.005 409 V HN 0.457 nan 8.190 nan 0.000 0.428 410 V N 3.091 123.047 119.914 0.070 0.000 2.333 410 V HA 0.333 4.469 4.120 0.026 0.000 0.274 410 V C -0.381 175.743 176.094 0.050 0.000 1.028 410 V CA -0.328 61.968 62.300 -0.006 0.000 0.851 410 V CB 1.444 33.154 31.823 -0.189 0.000 1.000 410 V HN 0.900 nan 8.190 nan 0.000 0.456 411 D N 4.193 124.669 120.400 0.126 0.000 2.249 411 D HA 0.344 4.999 4.640 0.026 0.000 0.246 411 D C -0.262 176.235 176.300 0.328 0.000 1.114 411 D CA -0.094 54.079 54.000 0.288 0.000 0.854 411 D CB 1.290 42.322 40.800 0.386 0.000 1.132 411 D HN 0.681 nan 8.370 nan 0.000 0.461 412 E N 2.040 122.397 120.200 0.260 0.000 2.210 412 E HA 0.627 4.992 4.350 0.026 0.000 0.266 412 E C -1.010 175.732 176.600 0.236 0.000 0.883 412 E CA -1.081 55.458 56.400 0.233 0.000 0.761 412 E CB 1.359 31.147 29.700 0.147 0.000 1.156 412 E HN 0.470 nan 8.360 nan 0.000 0.412 413 A N 3.806 126.756 122.820 0.216 0.000 2.483 413 A HA 0.034 4.370 4.320 0.026 0.000 0.238 413 A C 0.301 178.014 177.584 0.215 0.000 1.070 413 A CA -0.132 52.012 52.037 0.178 0.000 0.770 413 A CB 0.085 19.152 19.000 0.111 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.259 120.094 118.700 0.225 0.000 3.050 414 N HA 0.294 5.050 4.740 0.026 0.000 0.289 414 N C -1.055 174.587 175.510 0.220 0.000 1.209 414 N CA 0.212 53.429 53.050 0.279 0.000 1.154 414 N CB -0.803 37.846 38.487 0.271 0.000 1.444 414 N HN 0.470 nan 8.380 nan 0.000 0.529 415 I N 1.071 121.766 120.570 0.209 0.000 2.529 415 I HA 0.267 4.452 4.170 0.026 0.000 0.284 415 I C -0.688 175.534 176.117 0.175 0.000 1.088 415 I CA -0.604 60.801 61.300 0.174 0.000 1.062 415 I CB 1.783 39.859 38.000 0.126 0.000 1.218 415 I HN 0.273 nan 8.210 nan 0.000 0.442 416 E N 4.332 124.630 120.200 0.164 0.000 2.287 416 E HA 0.395 4.761 4.350 0.026 0.000 0.274 416 E C -0.693 175.974 176.600 0.112 0.000 0.896 416 E CA -0.501 55.967 56.400 0.113 0.000 0.788 416 E CB 1.632 31.380 29.700 0.080 0.000 1.244 416 E HN 0.582 nan 8.360 nan 0.000 0.408 417 T N 0.677 115.288 114.554 0.094 0.000 3.448 417 T HA 0.166 4.532 4.350 0.026 0.000 0.271 417 T C 0.840 175.582 174.700 0.069 0.000 1.002 417 T CA -0.360 61.822 62.100 0.137 0.000 0.995 417 T CB -0.281 68.654 68.868 0.111 0.000 1.153 417 T HN 0.669 nan 8.240 nan 0.000 0.510 418 H N 1.210 120.188 119.070 -0.154 0.000 2.390 418 H HA -0.056 4.516 4.556 0.028 0.000 0.298 418 H C 2.307 177.506 175.328 -0.215 0.000 1.106 418 H CA 1.328 57.263 56.048 -0.188 0.000 1.297 418 H CB -0.171 29.450 29.762 -0.234 0.000 1.375 418 H HN 0.588 nan 8.280 nan 0.000 0.509 419 G N 0.218 108.851 108.800 -0.278 0.000 2.679 419 G HA2 -0.053 3.923 3.960 0.026 0.000 0.212 419 G HA3 -0.053 3.923 3.960 0.026 0.000 0.212 419 G C 0.504 175.512 174.900 0.180 0.000 1.137 419 G CA -0.131 44.834 45.100 -0.224 0.000 0.787 419 G HN 0.151 nan 8.290 nan 0.000 0.534 420 M N 0.345 120.103 119.600 0.264 0.000 2.226 420 M HA 0.309 4.805 4.480 0.026 0.000 0.324 420 M C -0.355 175.985 176.300 0.067 0.000 1.112 420 M CA -0.235 55.172 55.300 0.178 0.000 1.176 420 M CB 1.344 34.000 32.600 0.095 0.000 1.430 420 M HN -0.209 nan 8.290 nan 0.000 0.462 421 V N 3.895 123.826 119.914 0.029 0.000 2.482 421 V HA 0.365 4.501 4.120 0.026 0.000 0.295 421 V C -1.939 174.149 176.094 -0.010 0.000 1.026 421 V CA -1.283 61.019 62.300 0.003 0.000 0.856 421 V CB 1.815 33.635 31.823 -0.005 0.000 1.001 421 V HN 0.738 nan 8.190 nan 0.000 0.424 422 P HA 0.243 nan 4.420 nan 0.000 0.275 422 P C 0.958 178.260 177.300 0.004 0.000 1.266 422 P CA -0.518 62.579 63.100 -0.006 0.000 0.793 422 P CB 1.095 32.792 31.700 -0.005 0.000 1.074 423 M N 0.648 120.255 119.600 0.011 0.000 2.279 423 M HA -0.164 4.331 4.480 0.026 0.000 0.264 423 M C 1.194 177.512 176.300 0.031 0.000 1.062 423 M CA 1.717 57.032 55.300 0.024 0.000 1.099 423 M CB -0.460 32.141 32.600 0.003 0.000 1.394 423 M HN 0.362 nan 8.290 nan 0.000 0.426 424 N N -0.151 118.567 118.700 0.031 0.000 2.313 424 N HA -0.066 4.690 4.740 0.026 0.000 0.207 424 N C 1.104 176.596 175.510 -0.030 0.000 1.141 424 N CA 0.137 53.207 53.050 0.035 0.000 0.830 424 N CB -0.693 37.832 38.487 0.064 0.000 1.008 424 N HN 0.351 nan 8.380 nan 0.000 0.481 425 R N 0.316 120.784 120.500 -0.053 0.000 2.105 425 R HA 0.017 4.372 4.340 0.026 0.000 0.239 425 R C 1.435 177.636 176.300 -0.166 0.000 1.135 425 R CA 1.276 57.321 56.100 -0.092 0.000 0.967 425 R CB -0.018 30.223 30.300 -0.098 0.000 0.861 425 R HN 0.288 nan 8.270 nan 0.000 0.442 426 L N -0.720 120.344 121.223 -0.265 0.000 2.202 426 L HA -0.011 4.345 4.340 0.026 0.000 0.205 426 L C 2.425 179.150 176.870 -0.242 0.000 1.083 426 L CA 1.312 55.873 54.840 -0.465 0.000 0.790 426 L CB -0.429 41.137 42.059 -0.822 0.000 0.942 426 L HN 0.348 nan 8.230 nan 0.000 0.452 427 T N -4.505 109.945 114.554 -0.174 0.000 3.072 427 T HA -0.144 4.221 4.350 0.026 0.000 0.266 427 T C 1.223 175.834 174.700 -0.149 0.000 1.127 427 T CA 1.047 63.031 62.100 -0.193 0.000 1.107 427 T CB -0.185 68.523 68.868 -0.267 0.000 0.910 427 T HN 0.095 nan 8.240 nan 0.000 0.513 428 D N 1.075 121.421 120.400 -0.091 0.000 2.349 428 D HA 0.108 4.764 4.640 0.026 0.000 0.214 428 D C -0.299 175.979 176.300 -0.037 0.000 1.063 428 D CA -0.219 53.739 54.000 -0.070 0.000 0.847 428 D CB -0.048 40.719 40.800 -0.056 0.000 0.933 428 D HN 0.307 nan 8.370 nan 0.000 0.513 429 D N -0.085 120.308 120.400 -0.012 0.000 2.329 429 D HA 0.129 4.785 4.640 0.026 0.000 0.232 429 D C -1.679 174.672 176.300 0.084 0.000 1.088 429 D CA -2.216 51.815 54.000 0.051 0.000 0.835 429 D CB 2.041 42.910 40.800 0.115 0.000 1.078 429 D HN -0.032 nan 8.370 nan 0.000 0.495 430 P HA -0.102 nan 4.420 nan 0.000 0.222 430 P C 0.936 178.246 177.300 0.016 0.000 1.147 430 P CA 0.693 63.805 63.100 0.020 0.000 0.790 430 P CB 0.294 31.993 31.700 -0.001 0.000 0.780 431 R N -1.714 118.803 120.500 0.029 0.000 2.237 431 R HA -0.064 4.292 4.340 0.026 0.000 0.219 431 R C 1.488 177.674 176.300 -0.190 0.000 1.080 431 R CA 1.036 57.088 56.100 -0.080 0.000 0.995 431 R CB -0.581 29.658 30.300 -0.101 0.000 0.875 431 R HN 0.332 nan 8.270 nan 0.000 0.462 432 W N 0.090 121.336 121.300 -0.090 0.000 3.278 432 W HA 0.126 4.801 4.660 0.025 0.000 0.308 432 W C 1.555 178.016 176.519 -0.097 0.000 1.253 432 W CA -0.509 56.783 57.345 -0.089 0.000 1.759 432 W CB 0.055 29.460 29.460 -0.092 0.000 1.093 432 W HN 0.003 nan 8.180 nan 0.000 0.648 433 L N 2.366 123.623 121.223 0.057 0.000 2.042 433 L HA -0.058 4.298 4.340 0.026 0.000 0.210 433 L C -0.662 176.177 176.870 -0.052 0.000 1.076 433 L CA 2.262 57.095 54.840 -0.013 0.000 0.749 433 L CB -1.742 40.297 42.059 -0.033 0.000 0.893 433 L HN -0.235 nan 8.230 nan 0.000 0.432 434 P HA -0.160 nan 4.420 nan 0.000 0.215 434 P C 1.618 178.866 177.300 -0.086 0.000 1.157 434 P CA 2.290 65.330 63.100 -0.099 0.000 0.868 434 P CB -0.282 31.350 31.700 -0.114 0.000 0.788 435 A N -0.972 121.810 122.820 -0.063 0.000 1.902 435 A HA -0.173 4.163 4.320 0.026 0.000 0.217 435 A C 2.288 179.883 177.584 0.020 0.000 1.181 435 A CA 1.923 53.953 52.037 -0.011 0.000 0.623 435 A CB -1.479 17.547 19.000 0.044 0.000 0.818 435 A HN 0.101 nan 8.150 nan 0.000 0.443 436 M N 0.005 119.628 119.600 0.038 0.000 2.175 436 M HA -0.144 4.352 4.480 0.026 0.000 0.264 436 M C 2.560 178.807 176.300 -0.088 0.000 1.063 436 M CA 1.680 56.978 55.300 -0.002 0.000 1.119 436 M CB -0.332 32.245 32.600 -0.038 0.000 1.377 436 M HN 0.664 nan 8.290 nan 0.000 0.415 437 S N 0.522 116.143 115.700 -0.131 0.000 2.370 437 S HA -0.210 4.276 4.470 0.026 0.000 0.226 437 S C 1.624 176.055 174.600 -0.282 0.000 1.033 437 S CA 1.644 59.700 58.200 -0.241 0.000 1.011 437 S CB -0.496 62.550 63.200 -0.257 0.000 0.852 437 S HN 0.531 nan 8.310 nan 0.000 0.457 438 E N 0.658 120.744 120.200 -0.189 0.000 2.153 438 E HA -0.087 4.279 4.350 0.026 0.000 0.194 438 E C 2.446 178.960 176.600 -0.142 0.000 0.988 438 E CA 0.912 57.209 56.400 -0.173 0.000 0.811 438 E CB -0.104 29.532 29.700 -0.106 0.000 0.746 438 E HN 0.591 nan 8.360 nan 0.000 0.466 439 R N -0.054 120.392 120.500 -0.091 0.000 2.148 439 R HA -0.042 4.314 4.340 0.026 0.000 0.223 439 R C 2.236 178.494 176.300 -0.070 0.000 1.088 439 R CA 0.583 56.660 56.100 -0.039 0.000 0.985 439 R CB 0.121 30.438 30.300 0.027 0.000 0.880 439 R HN 0.013 nan 8.270 nan 0.000 0.451 440 V N 0.233 120.060 119.914 -0.146 0.000 2.426 440 V HA -0.162 3.974 4.120 0.026 0.000 0.242 440 V C 2.436 178.346 176.094 -0.307 0.000 1.036 440 V CA 2.098 64.291 62.300 -0.179 0.000 1.044 440 V CB -0.119 31.591 31.823 -0.190 0.000 0.688 440 V HN 0.504 nan 8.190 nan 0.000 0.462 441 T N -0.841 113.403 114.554 -0.515 0.000 2.821 441 T HA -0.210 4.156 4.350 0.026 0.000 0.267 441 T C 1.929 176.473 174.700 -0.261 0.000 1.046 441 T CA 1.238 62.942 62.100 -0.660 0.000 1.139 441 T CB -0.372 67.911 68.868 -0.975 0.000 0.871 441 T HN 0.399 nan 8.240 nan 0.000 0.454 442 R N 0.241 120.611 120.500 -0.216 0.000 2.148 442 R HA 0.233 4.588 4.340 0.026 0.000 0.227 442 R C 2.592 178.814 176.300 -0.130 0.000 1.103 442 R CA 1.268 57.277 56.100 -0.152 0.000 0.983 442 R CB -0.439 29.779 30.300 -0.136 0.000 0.874 442 R HN 0.478 nan 8.270 nan 0.000 0.451 443 M N 0.438 119.968 119.600 -0.117 0.000 2.123 443 M HA -0.113 4.383 4.480 0.026 0.000 0.263 443 M C 1.810 178.035 176.300 -0.125 0.000 1.069 443 M CA 1.545 56.804 55.300 -0.067 0.000 1.133 443 M CB 0.162 32.763 32.600 0.001 0.000 1.356 443 M HN -0.029 nan 8.290 nan 0.000 0.415 444 V N 1.136 120.870 119.914 -0.301 0.000 2.343 444 V HA -0.286 3.850 4.120 0.026 0.000 0.247 444 V C 2.267 178.247 176.094 -0.190 0.000 1.051 444 V CA 2.013 63.996 62.300 -0.528 0.000 1.036 444 V CB -0.930 30.567 31.823 -0.544 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.571 119.158 119.800 -0.118 0.000 2.170 445 Q HA -0.236 4.119 4.340 0.026 0.000 0.203 445 Q C 2.445 178.363 176.000 -0.138 0.000 0.976 445 Q CA 1.672 57.417 55.803 -0.097 0.000 0.858 445 Q CB -0.197 28.504 28.738 -0.062 0.000 0.907 445 Q HN 0.543 nan 8.270 nan 0.000 0.433 446 R N 0.244 120.655 120.500 -0.149 0.000 2.112 446 R HA -0.077 4.278 4.340 0.026 0.000 0.216 446 R C 0.505 176.730 176.300 -0.125 0.000 1.080 446 R CA 1.167 57.153 56.100 -0.191 0.000 0.996 446 R CB 0.460 30.646 30.300 -0.190 0.000 0.902 446 R HN 0.129 nan 8.270 nan 0.000 0.449 447 D N -0.091 120.305 120.400 -0.007 0.000 2.369 447 D HA -0.009 4.647 4.640 0.026 0.000 0.211 447 D C 1.295 177.720 176.300 0.209 0.000 1.077 447 D CA 0.139 54.190 54.000 0.084 0.000 0.842 447 D CB 0.243 41.042 40.800 -0.002 0.000 0.947 447 D HN 0.354 nan 8.370 nan 0.000 0.509 448 R N 0.588 121.223 120.500 0.225 0.000 2.293 448 R HA 0.010 4.366 4.340 0.026 0.000 0.219 448 R C 0.624 176.935 176.300 0.019 0.000 1.091 448 R CA 0.864 57.105 56.100 0.234 0.000 1.004 448 R CB -0.257 30.114 30.300 0.119 0.000 0.865 448 R HN -0.086 nan 8.270 nan 0.000 0.469 449 N N 0.328 118.966 118.700 -0.102 0.000 2.270 449 N HA 0.014 4.770 4.740 0.026 0.000 0.198 449 N C -0.623 174.760 175.510 -0.211 0.000 1.117 449 N CA 0.173 53.130 53.050 -0.155 0.000 0.845 449 N CB 0.156 38.526 38.487 -0.195 0.000 0.980 449 N HN 0.284 nan 8.380 nan 0.000 0.486 450 H N 1.226 120.242 119.070 -0.090 0.000 2.668 450 H HA 0.125 4.696 4.556 0.026 0.000 0.303 450 H C -1.234 173.947 175.328 -0.244 0.000 1.074 450 H CA -1.295 54.681 56.048 -0.119 0.000 1.406 450 H CB 1.639 31.372 29.762 -0.049 0.000 1.442 450 H HN 0.042 nan 8.280 nan 0.000 0.482 451 P HA -0.144 nan 4.420 nan 0.000 0.220 451 P C 1.421 178.255 177.300 -0.776 0.000 1.148 451 P CA 0.989 63.739 63.100 -0.584 0.000 0.803 451 P CB 0.296 31.415 31.700 -0.969 0.000 0.782 452 S N -0.831 114.525 115.700 -0.575 0.000 2.419 452 S HA -0.040 4.446 4.470 0.026 0.000 0.233 452 S C 1.101 175.660 174.600 -0.069 0.000 1.016 452 S CA 0.351 58.367 58.200 -0.307 0.000 0.974 452 S CB -1.468 61.710 63.200 -0.037 0.000 0.786 452 S HN -0.063 nan 8.310 nan 0.000 0.492 453 V N 3.633 123.488 119.914 -0.099 0.000 2.470 453 V HA 0.227 4.362 4.120 0.026 0.000 0.276 453 V C 1.155 177.115 176.094 -0.224 0.000 1.040 453 V CA 0.021 62.233 62.300 -0.148 0.000 1.008 453 V CB 0.467 32.115 31.823 -0.291 0.000 0.990 453 V HN 0.632 nan 8.190 nan 0.000 0.477 454 I N 2.740 123.234 120.570 -0.126 0.000 4.187 454 I HA 0.497 4.683 4.170 0.026 0.000 0.326 454 I C 0.408 176.415 176.117 -0.183 0.000 1.302 454 I CA 0.562 61.794 61.300 -0.113 0.000 1.196 454 I CB 0.494 38.511 38.000 0.028 0.000 1.095 454 I HN 0.322 nan 8.210 nan 0.000 0.411 455 I N 0.149 120.592 120.570 -0.210 0.000 2.722 455 I HA 0.353 4.538 4.170 0.026 0.000 0.295 455 I C -1.565 174.458 176.117 -0.157 0.000 1.161 455 I CA -0.456 60.759 61.300 -0.142 0.000 1.032 455 I CB 2.125 40.132 38.000 0.011 0.000 1.244 455 I HN 0.027 nan 8.210 nan 0.000 0.421 456 W N 3.812 125.163 121.300 0.085 0.000 2.438 456 W HA 0.610 5.283 4.660 0.022 0.000 0.324 456 W C 0.390 176.976 176.519 0.111 0.000 1.119 456 W CA -0.670 56.731 57.345 0.094 0.000 1.221 456 W CB 1.634 31.145 29.460 0.085 0.000 1.253 456 W HN 0.309 nan 8.180 nan 0.000 0.555 457 S N 2.876 118.804 115.700 0.380 0.000 2.500 457 S HA 0.401 4.887 4.470 0.026 0.000 0.301 457 S C 0.194 174.961 174.600 0.278 0.000 1.092 457 S CA -0.722 57.653 58.200 0.292 0.000 1.030 457 S CB 0.805 64.132 63.200 0.211 0.000 1.031 457 S HN 0.588 nan 8.310 nan 0.000 0.483 458 L N 4.248 125.628 121.223 0.263 0.000 2.650 458 L HA 0.334 4.690 4.340 0.026 0.000 0.235 458 L C 1.395 178.330 176.870 0.109 0.000 1.149 458 L CA 0.484 55.400 54.840 0.127 0.000 0.887 458 L CB -1.228 40.807 42.059 -0.040 0.000 1.021 458 L HN 1.018 nan 8.230 nan 0.000 0.441 459 G N 0.146 109.099 108.800 0.254 0.000 2.297 459 G HA2 -0.150 3.826 3.960 0.026 0.000 0.209 459 G HA3 -0.150 3.826 3.960 0.026 0.000 0.209 459 G C -1.526 173.586 174.900 0.353 0.000 1.267 459 G CA -0.533 44.728 45.100 0.269 0.000 1.127 459 G HN 0.202 nan 8.290 nan 0.000 0.498 460 N N 0.195 119.047 118.700 0.252 0.000 2.367 460 N HA 0.470 5.226 4.740 0.026 0.000 0.278 460 N C -0.494 174.978 175.510 -0.064 0.000 1.117 460 N CA 0.157 53.206 53.050 -0.001 0.000 0.867 460 N CB 1.568 39.792 38.487 -0.439 0.000 1.649 460 N HN 0.909 nan 8.380 nan 0.000 0.479 461 E N 0.852 120.925 120.200 -0.211 0.000 2.197 461 E HA -0.175 4.190 4.350 0.026 0.000 0.184 461 E C -0.858 175.661 176.600 -0.135 0.000 1.439 461 E CA 0.792 56.986 56.400 -0.344 0.000 0.688 461 E CB -1.271 27.998 29.700 -0.719 0.000 1.090 461 E HN 0.444 nan 8.360 nan 0.000 0.341 462 S N 0.113 115.878 115.700 0.109 0.000 2.902 462 S HA 0.409 4.895 4.470 0.026 0.000 0.250 462 S C 0.626 175.390 174.600 0.273 0.000 1.046 462 S CA -0.160 58.157 58.200 0.196 0.000 1.069 462 S CB 1.384 64.762 63.200 0.297 0.000 0.967 462 S HN 0.857 nan 8.310 nan 0.000 0.530 463 G N 2.000 110.888 108.800 0.148 0.000 2.601 463 G HA2 -0.269 3.707 3.960 0.026 0.000 0.261 463 G HA3 -0.269 3.707 3.960 0.026 0.000 0.261 463 G C -0.499 174.591 174.900 0.316 0.000 1.289 463 G CA -0.091 45.100 45.100 0.151 0.000 0.920 463 G HN 0.644 nan 8.290 nan 0.000 0.571 464 H N 0.550 119.732 119.070 0.185 0.000 2.800 464 H HA 0.570 5.143 4.556 0.027 0.000 0.322 464 H C 0.321 175.814 175.328 0.276 0.000 0.979 464 H CA -0.065 56.130 56.048 0.245 0.000 1.277 464 H CB 0.624 30.468 29.762 0.137 0.000 1.484 464 H HN 1.036 nan 8.280 nan 0.000 0.512 465 G N 1.517 110.415 108.800 0.162 0.000 2.600 465 G HA2 0.449 4.424 3.960 0.026 0.000 0.303 465 G HA3 0.449 4.424 3.960 0.026 0.000 0.303 465 G C 0.552 175.322 174.900 -0.216 0.000 1.253 465 G CA -0.155 44.868 45.100 -0.127 0.000 0.974 465 G HN 0.665 nan 8.290 nan 0.000 0.483 466 A N 0.322 123.041 122.820 -0.169 0.000 2.070 466 A HA -0.077 4.258 4.320 0.026 0.000 0.220 466 A C 2.106 179.657 177.584 -0.055 0.000 1.159 466 A CA 1.739 53.720 52.037 -0.095 0.000 0.656 466 A CB -0.402 18.568 19.000 -0.051 0.000 0.800 466 A HN 0.531 nan 8.150 nan 0.000 0.453 467 N N -0.117 118.515 118.700 -0.114 0.000 2.223 467 N HA -0.152 4.604 4.740 0.026 0.000 0.185 467 N C 1.360 176.798 175.510 -0.121 0.000 1.016 467 N CA 1.729 54.700 53.050 -0.133 0.000 0.863 467 N CB -0.656 37.711 38.487 -0.201 0.000 0.983 467 N HN 0.787 nan 8.380 nan 0.000 0.429 468 H N 0.486 119.533 119.070 -0.039 0.000 2.321 468 H HA -0.031 4.540 4.556 0.026 0.000 0.300 468 H C 1.318 176.710 175.328 0.106 0.000 1.087 468 H CA 1.405 57.442 56.048 -0.019 0.000 1.319 468 H CB 0.093 29.846 29.762 -0.014 0.000 1.379 468 H HN 0.204 nan 8.280 nan 0.000 0.501 469 D N 0.451 121.006 120.400 0.258 0.000 2.117 469 D HA -0.139 4.517 4.640 0.026 0.000 0.197 469 D C 2.307 178.752 176.300 0.242 0.000 0.987 469 D CA 1.200 55.349 54.000 0.249 0.000 0.829 469 D CB -0.409 40.505 40.800 0.190 0.000 0.961 469 D HN 0.437 nan 8.370 nan 0.000 0.460 470 A N 0.942 123.853 122.820 0.152 0.000 1.902 470 A HA -0.119 4.217 4.320 0.026 0.000 0.217 470 A C 2.438 180.128 177.584 0.177 0.000 1.181 470 A CA 0.922 53.042 52.037 0.140 0.000 0.623 470 A CB -0.770 18.270 19.000 0.067 0.000 0.818 470 A HN 0.187 nan 8.150 nan 0.000 0.443 471 L N -2.083 119.225 121.223 0.141 0.000 2.093 471 L HA -0.165 4.191 4.340 0.026 0.000 0.208 471 L C 2.589 179.596 176.870 0.230 0.000 1.085 471 L CA 1.643 56.564 54.840 0.136 0.000 0.755 471 L CB -0.731 41.337 42.059 0.016 0.000 0.904 471 L HN 0.612 nan 8.230 nan 0.000 0.435 472 Y N 1.326 121.706 120.300 0.134 0.000 2.165 472 Y HA -0.337 4.226 4.550 0.020 0.000 0.286 472 Y C 2.804 178.789 175.900 0.141 0.000 1.155 472 Y CA 1.876 60.061 58.100 0.141 0.000 1.164 472 Y CB -0.155 38.390 38.460 0.142 0.000 0.978 472 Y HN -0.016 nan 8.280 nan 0.000 0.513 473 R N -0.268 120.353 120.500 0.202 0.000 2.092 473 R HA -0.178 4.178 4.340 0.026 0.000 0.231 473 R C 2.025 178.339 176.300 0.022 0.000 1.119 473 R CA 1.820 57.959 56.100 0.065 0.000 0.970 473 R CB -1.397 29.013 30.300 0.184 0.000 0.864 473 R HN 0.626 nan 8.270 nan 0.000 0.440 474 W N 0.629 121.888 121.300 -0.068 0.000 2.335 474 W HA -0.143 4.533 4.660 0.026 0.000 0.311 474 W C 1.573 178.001 176.519 -0.152 0.000 1.213 474 W CA 2.036 59.326 57.345 -0.091 0.000 1.274 474 W CB -0.253 29.155 29.460 -0.087 0.000 1.148 474 W HN 0.083 nan 8.180 nan 0.000 0.498 475 I N 0.846 121.456 120.570 0.068 0.000 2.163 475 I HA -0.372 3.814 4.170 0.026 0.000 0.243 475 I C 2.492 178.422 176.117 -0.312 0.000 1.085 475 I CA 1.438 62.616 61.300 -0.204 0.000 1.347 475 I CB -0.811 37.114 38.000 -0.126 0.000 1.044 475 I HN -0.121 nan 8.210 nan 0.000 0.408 476 K N 0.380 120.598 120.400 -0.304 0.000 2.113 476 K HA -0.195 4.141 4.320 0.026 0.000 0.208 476 K C 2.294 178.757 176.600 -0.230 0.000 1.047 476 K CA 1.544 57.668 56.287 -0.271 0.000 0.928 476 K CB -0.612 31.680 32.500 -0.347 0.000 0.716 476 K HN 0.247 nan 8.250 nan 0.000 0.446 477 S N 0.717 116.245 115.700 -0.286 0.000 2.357 477 S HA -0.091 4.394 4.470 0.026 0.000 0.221 477 S C 2.058 176.437 174.600 -0.369 0.000 1.031 477 S CA 1.287 59.313 58.200 -0.290 0.000 0.982 477 S CB -0.149 62.874 63.200 -0.294 0.000 0.853 477 S HN 0.194 nan 8.310 nan 0.000 0.458 478 V N -0.607 118.937 119.914 -0.615 0.000 2.548 478 V HA 0.172 4.307 4.120 0.026 0.000 0.249 478 V C 0.463 176.325 176.094 -0.387 0.000 1.055 478 V CA 1.654 63.585 62.300 -0.616 0.000 1.065 478 V CB -0.472 30.729 31.823 -1.036 0.000 0.681 478 V HN 0.445 nan 8.190 nan 0.000 0.462 479 D N 0.370 120.591 120.400 -0.298 0.000 2.364 479 D HA 0.394 5.050 4.640 0.026 0.000 0.251 479 D C -2.234 174.054 176.300 -0.019 0.000 1.282 479 D CA -1.935 52.002 54.000 -0.105 0.000 0.927 479 D CB 1.645 42.469 40.800 0.039 0.000 1.267 479 D HN 0.175 nan 8.370 nan 0.000 0.531 480 P HA -0.051 nan 4.420 nan 0.000 0.230 480 P C 1.245 178.562 177.300 0.028 0.000 1.158 480 P CA 0.513 63.604 63.100 -0.014 0.000 0.769 480 P CB 0.146 31.832 31.700 -0.023 0.000 0.807 481 S N -1.361 114.364 115.700 0.042 0.000 2.481 481 S HA 0.005 4.491 4.470 0.026 0.000 0.231 481 S C 0.880 175.505 174.600 0.042 0.000 0.996 481 S CA 0.141 58.370 58.200 0.049 0.000 0.942 481 S CB -0.438 62.786 63.200 0.039 0.000 0.768 481 S HN 0.073 nan 8.310 nan 0.000 0.520 482 R N 0.848 121.385 120.500 0.062 0.000 2.673 482 R HA 0.557 4.913 4.340 0.026 0.000 0.281 482 R C -3.237 173.108 176.300 0.075 0.000 0.991 482 R CA -2.257 53.842 56.100 -0.001 0.000 0.896 482 R CB 1.544 31.724 30.300 -0.201 0.000 1.201 482 R HN 0.131 nan 8.270 nan 0.000 0.457 483 P HA 0.117 nan 4.420 nan 0.000 0.272 483 P C -0.861 176.542 177.300 0.170 0.000 1.230 483 P CA -0.433 62.729 63.100 0.104 0.000 0.788 483 P CB 0.695 32.443 31.700 0.080 0.000 0.949 484 V N 2.449 122.493 119.914 0.216 0.000 2.417 484 V HA 0.399 4.535 4.120 0.026 0.000 0.291 484 V C 0.257 176.538 176.094 0.313 0.000 1.024 484 V CA -0.313 62.163 62.300 0.294 0.000 0.861 484 V CB 0.985 32.955 31.823 0.246 0.000 0.985 484 V HN 0.608 nan 8.190 nan 0.000 0.436 485 Q N 3.899 123.863 119.800 0.273 0.000 2.458 485 Q HA 0.829 5.184 4.340 0.026 0.000 0.282 485 Q C -1.775 174.391 176.000 0.277 0.000 1.106 485 Q CA -0.962 54.970 55.803 0.214 0.000 0.814 485 Q CB 3.016 31.826 28.738 0.121 0.000 1.425 485 Q HN 0.638 nan 8.270 nan 0.000 0.437 486 Y N -0.026 120.287 120.300 0.022 0.000 2.393 486 Y HA 0.131 4.695 4.550 0.023 0.000 0.320 486 Y C -0.728 175.117 175.900 -0.091 0.000 1.241 486 Y CA -0.721 57.362 58.100 -0.029 0.000 1.122 486 Y CB 1.922 40.357 38.460 -0.042 0.000 1.322 486 Y HN 0.942 nan 8.280 nan 0.000 0.441 487 E N 3.367 123.080 120.200 -0.811 0.000 2.400 487 E HA 0.161 4.527 4.350 0.026 0.000 0.195 487 E C 0.644 176.805 176.600 -0.731 0.000 1.012 487 E CA 0.727 56.763 56.400 -0.607 0.000 0.875 487 E CB 0.291 29.769 29.700 -0.371 0.000 0.859 487 E HN 0.886 nan 8.360 nan 0.000 0.498 488 G N -0.044 107.908 108.800 -1.413 0.000 2.559 488 G HA2 0.235 4.210 3.960 0.026 0.000 0.235 488 G HA3 0.235 4.210 3.960 0.026 0.000 0.235 488 G C 0.808 175.560 174.900 -0.246 0.000 1.266 488 G CA 0.289 44.976 45.100 -0.688 0.000 0.847 488 G HN 0.346 nan 8.290 nan 0.000 0.583 489 G N -0.692 108.067 108.800 -0.068 0.000 2.179 489 G HA2 0.228 4.204 3.960 0.026 0.000 0.257 489 G HA3 0.228 4.204 3.960 0.026 0.000 0.257 489 G C 1.259 176.168 174.900 0.015 0.000 1.010 489 G CA 1.049 46.170 45.100 0.036 0.000 0.736 489 G HN 2.610 nan 8.290 nan 0.000 0.513 490 G N -1.721 107.083 108.800 0.005 0.000 2.205 490 G HA2 0.430 4.406 3.960 0.026 0.000 0.180 490 G HA3 0.430 4.406 3.960 0.026 0.000 0.180 490 G C 1.049 176.075 174.900 0.210 0.000 1.004 490 G CA 1.277 46.447 45.100 0.117 0.000 0.670 490 G HN 2.331 nan 8.290 nan 0.000 0.496 491 A N -0.155 122.666 122.820 0.002 0.000 3.721 491 A HA -0.152 4.184 4.320 0.026 0.000 0.270 491 A C 1.121 178.639 177.584 -0.110 0.000 1.036 491 A CA 2.658 54.634 52.037 -0.102 0.000 1.102 491 A CB -1.766 17.150 19.000 -0.139 0.000 1.100 491 A HN 2.107 nan 8.150 nan 0.000 0.887 492 D N -0.730 119.696 120.400 0.042 0.000 2.760 492 D HA 0.320 4.976 4.640 0.026 0.000 0.314 492 D C 0.403 176.702 176.300 -0.002 0.000 1.464 492 D CA 0.843 54.868 54.000 0.043 0.000 0.797 492 D CB -1.093 39.882 40.800 0.293 0.000 1.149 492 D HN 0.813 nan 8.370 nan 0.000 0.455 493 T N -2.495 111.989 114.554 -0.117 0.000 2.729 493 T HA 0.213 4.578 4.350 0.026 0.000 0.298 493 T C 1.563 176.128 174.700 -0.226 0.000 1.013 493 T CA 0.433 62.396 62.100 -0.229 0.000 0.957 493 T CB 0.704 69.212 68.868 -0.600 0.000 1.130 493 T HN 0.063 nan 8.240 nan 0.000 0.526 494 T N -2.466 111.943 114.554 -0.242 0.000 3.163 494 T HA 0.259 4.625 4.350 0.026 0.000 0.260 494 T C 1.467 175.916 174.700 -0.419 0.000 1.156 494 T CA 0.223 62.194 62.100 -0.215 0.000 1.072 494 T CB -0.485 68.334 68.868 -0.083 0.000 0.937 494 T HN 0.820 nan 8.240 nan 0.000 0.528 495 A N 0.465 123.052 122.820 -0.388 0.000 2.460 495 A HA 0.513 4.849 4.320 0.026 0.000 0.258 495 A C 0.797 178.218 177.584 -0.272 0.000 1.300 495 A CA -0.342 51.442 52.037 -0.421 0.000 0.913 495 A CB 0.110 19.123 19.000 0.023 0.000 1.031 495 A HN 0.409 nan 8.150 nan 0.000 0.512 496 T N -1.265 113.141 114.554 -0.247 0.000 2.921 496 T HA 0.363 4.729 4.350 0.026 0.000 0.297 496 T C -0.599 174.121 174.700 0.032 0.000 1.013 496 T CA -0.433 61.668 62.100 0.002 0.000 0.990 496 T CB 1.214 70.080 68.868 -0.004 0.000 1.023 496 T HN 0.092 nan 8.240 nan 0.000 0.447 497 D N 2.991 123.492 120.400 0.169 0.000 2.348 497 D HA 0.271 4.927 4.640 0.026 0.000 0.211 497 D C 0.306 176.638 176.300 0.053 0.000 0.998 497 D CA 0.684 54.768 54.000 0.140 0.000 0.873 497 D CB 0.417 41.326 40.800 0.183 0.000 0.925 497 D HN 0.533 nan 8.370 nan 0.000 0.524 498 I N 0.843 121.426 120.570 0.021 0.000 2.582 498 I HA 0.248 4.434 4.170 0.026 0.000 0.292 498 I C -0.205 175.846 176.117 -0.111 0.000 1.066 498 I CA -0.886 60.392 61.300 -0.038 0.000 1.053 498 I CB 2.898 40.888 38.000 -0.017 0.000 1.241 498 I HN -0.349 nan 8.210 nan 0.000 0.421 499 I N 5.643 126.096 120.570 -0.195 0.000 2.505 499 I HA 0.036 4.221 4.170 0.026 0.000 0.287 499 I C 0.271 176.172 176.117 -0.359 0.000 1.104 499 I CA 0.070 61.150 61.300 -0.367 0.000 1.387 499 I CB 0.163 37.824 38.000 -0.566 0.000 1.404 499 I HN 0.691 nan 8.210 nan 0.000 0.528 500 C N 5.751 124.856 119.300 -0.325 0.000 3.290 500 C HA 0.459 4.935 4.460 0.026 0.000 0.206 500 C C -2.075 172.779 174.990 -0.227 0.000 1.639 500 C CA -2.258 56.626 59.018 -0.224 0.000 1.408 500 C CB -0.922 26.747 27.740 -0.118 0.000 2.197 500 C HN 0.421 nan 8.230 nan 0.000 0.508 501 P HA 0.252 nan 4.420 nan 0.000 0.271 501 P C -0.413 176.833 177.300 -0.090 0.000 1.244 501 P CA 0.518 63.515 63.100 -0.172 0.000 0.793 501 P CB 0.709 32.334 31.700 -0.124 0.000 0.984 502 M N -0.151 119.423 119.600 -0.044 0.000 2.243 502 M HA 0.450 4.946 4.480 0.026 0.000 0.324 502 M C -0.710 175.553 176.300 -0.062 0.000 1.031 502 M CA -0.695 54.472 55.300 -0.221 0.000 0.949 502 M CB 1.358 33.831 32.600 -0.211 0.000 1.615 502 M HN 0.338 nan 8.290 nan 0.000 0.430 503 Y N -0.465 120.016 120.300 0.302 0.000 4.668 503 Y HA -0.216 4.351 4.550 0.028 0.000 0.234 503 Y C 0.537 176.628 175.900 0.319 0.000 1.056 503 Y CA 0.417 58.702 58.100 0.309 0.000 2.025 503 Y CB -2.236 36.384 38.460 0.267 0.000 1.613 503 Y HN 0.985 nan 8.280 nan 0.000 0.653 504 A N 1.272 124.319 122.820 0.377 0.000 2.477 504 A HA 0.551 4.887 4.320 0.026 0.000 0.246 504 A C 0.722 178.538 177.584 0.385 0.000 1.078 504 A CA -0.386 51.884 52.037 0.388 0.000 0.770 504 A CB 0.361 19.635 19.000 0.457 0.000 1.011 504 A HN 0.413 nan 8.150 nan 0.000 0.494 505 R N 1.518 122.174 120.500 0.261 0.000 2.546 505 R HA 0.336 4.692 4.340 0.026 0.000 0.266 505 R C 1.037 177.318 176.300 -0.031 0.000 1.086 505 R CA -0.732 55.452 56.100 0.139 0.000 1.160 505 R CB 0.568 30.923 30.300 0.091 0.000 1.138 505 R HN 0.482 nan 8.270 nan 0.000 0.567 506 V N 0.723 120.461 119.914 -0.293 0.000 2.244 506 V HA -0.219 3.917 4.120 0.026 0.000 0.244 506 V C 1.007 176.989 176.094 -0.185 0.000 1.042 506 V CA 1.904 63.982 62.300 -0.371 0.000 1.006 506 V CB -0.262 31.219 31.823 -0.571 0.000 0.641 506 V HN 0.749 nan 8.190 nan 0.000 0.446 507 D N -1.472 118.852 120.400 -0.127 0.000 2.455 507 D HA 0.096 4.752 4.640 0.026 0.000 0.228 507 D C 0.966 177.254 176.300 -0.020 0.000 1.070 507 D CA 0.068 54.029 54.000 -0.065 0.000 0.881 507 D CB 0.523 41.290 40.800 -0.055 0.000 1.087 507 D HN 0.478 nan 8.370 nan 0.000 0.498 508 E N 1.838 122.031 120.200 -0.013 0.000 2.229 508 E HA 0.084 4.450 4.350 0.026 0.000 0.283 508 E C -0.749 175.856 176.600 0.008 0.000 1.030 508 E CA -0.542 55.858 56.400 0.000 0.000 0.836 508 E CB 0.838 30.539 29.700 0.002 0.000 1.068 508 E HN -0.155 nan 8.360 nan 0.000 0.401 509 D N 3.514 123.918 120.400 0.008 0.000 2.313 509 D HA 0.115 4.771 4.640 0.026 0.000 0.247 509 D C -0.558 175.634 176.300 -0.180 0.000 1.094 509 D CA 0.200 54.194 54.000 -0.010 0.000 0.925 509 D CB 1.106 41.967 40.800 0.101 0.000 1.188 509 D HN 0.406 nan 8.370 nan 0.000 0.430 510 Q N 1.332 120.906 119.800 -0.377 0.000 2.932 510 Q HA 0.247 4.603 4.340 0.026 0.000 0.248 510 Q C -2.254 173.111 176.000 -1.059 0.000 0.982 510 Q CA -1.530 53.842 55.803 -0.718 0.000 0.730 510 Q CB 2.198 30.529 28.738 -0.678 0.000 1.249 510 Q HN 0.152 nan 8.270 nan 0.000 0.476 511 P HA -0.000 nan 4.420 nan 0.000 0.226 511 P C -0.713 176.264 177.300 -0.539 0.000 1.783 511 P CA -0.005 62.652 63.100 -0.738 0.000 0.980 511 P CB -0.606 30.865 31.700 -0.381 0.000 1.967 512 F N 2.070 121.836 119.950 -0.307 0.000 2.506 512 F HA 0.193 4.735 4.527 0.025 0.000 0.351 512 F C -1.211 174.481 175.800 -0.180 0.000 1.136 512 F CA -2.292 55.593 58.000 -0.191 0.000 1.298 512 F CB -0.599 38.310 39.000 -0.153 0.000 1.145 512 F HN 0.063 nan 8.300 nan 0.000 0.593 513 P HA 0.133 nan 4.420 nan 0.000 0.268 513 P C 0.285 177.602 177.300 0.028 0.000 1.205 513 P CA 0.964 64.080 63.100 0.027 0.000 0.771 513 P CB 1.140 32.856 31.700 0.027 0.000 0.858 514 A N 2.548 125.377 122.820 0.015 0.000 2.617 514 A HA -0.244 4.092 4.320 0.026 0.000 0.236 514 A C 0.707 178.302 177.584 0.019 0.000 0.551 514 A CA 2.002 54.053 52.037 0.022 0.000 1.144 514 A CB -2.683 16.331 19.000 0.022 0.000 1.384 514 A HN 0.695 nan 8.150 nan 0.000 0.694 515 V N -2.991 116.928 119.914 0.008 0.000 2.468 515 V HA 0.559 4.694 4.120 0.026 0.000 0.256 515 V C -2.385 173.703 176.094 -0.010 0.000 0.998 515 V CA -1.261 61.045 62.300 0.010 0.000 1.114 515 V CB 0.575 32.402 31.823 0.006 0.000 1.378 515 V HN 0.493 nan 8.190 nan 0.000 0.573 516 P HA 0.232 nan 4.420 nan 0.000 0.269 516 P C -0.559 176.386 177.300 -0.592 0.000 1.215 516 P CA 0.164 62.927 63.100 -0.562 0.000 0.780 516 P CB 0.979 31.860 31.700 -1.365 0.000 0.898 517 K N 2.186 122.309 120.400 -0.461 0.000 2.357 517 K HA 0.200 4.535 4.320 0.026 0.000 0.251 517 K C -0.476 175.883 176.600 -0.401 0.000 1.069 517 K CA -0.251 55.938 56.287 -0.165 0.000 0.994 517 K CB 0.313 32.967 32.500 0.256 0.000 1.411 517 K HN 0.465 nan 8.250 nan 0.000 0.450 518 W N 1.329 122.340 121.300 -0.483 0.000 2.161 518 W HA 0.067 4.744 4.660 0.028 0.000 0.344 518 W C 1.309 177.830 176.519 0.004 0.000 1.262 518 W CA -0.407 56.722 57.345 -0.360 0.000 1.270 518 W CB 0.545 29.576 29.460 -0.715 0.000 1.126 518 W HN 0.369 nan 8.180 nan 0.000 0.598 519 S N 3.385 119.238 115.700 0.254 0.000 2.558 519 S HA -0.092 4.394 4.470 0.026 0.000 0.293 519 S C 1.264 176.013 174.600 0.249 0.000 1.292 519 S CA -0.073 58.230 58.200 0.171 0.000 1.063 519 S CB 0.170 63.420 63.200 0.083 0.000 0.831 519 S HN 0.521 nan 8.310 nan 0.000 0.499 520 I N 2.221 122.902 120.570 0.186 0.000 2.286 520 I HA -0.161 4.024 4.170 0.026 0.000 0.248 520 I C 2.038 178.172 176.117 0.029 0.000 1.115 520 I CA 1.368 62.771 61.300 0.173 0.000 1.392 520 I CB -0.429 37.623 38.000 0.087 0.000 1.065 520 I HN 0.606 nan 8.210 nan 0.000 0.418 521 K N 1.490 121.801 120.400 -0.148 0.000 2.057 521 K HA -0.165 4.170 4.320 0.026 0.000 0.206 521 K C 2.311 178.895 176.600 -0.027 0.000 1.050 521 K CA 1.801 57.906 56.287 -0.304 0.000 0.935 521 K CB -0.198 32.054 32.500 -0.414 0.000 0.715 521 K HN 0.398 nan 8.250 nan 0.000 0.439 522 K N 0.021 120.435 120.400 0.023 0.000 2.103 522 K HA -0.158 4.178 4.320 0.026 0.000 0.204 522 K C 1.879 178.505 176.600 0.043 0.000 1.052 522 K CA 0.751 57.044 56.287 0.011 0.000 0.945 522 K CB -0.062 32.417 32.500 -0.035 0.000 0.722 522 K HN 0.203 nan 8.250 nan 0.000 0.443 523 W N 2.172 123.454 121.300 -0.029 0.000 2.335 523 W HA -0.190 4.481 4.660 0.019 0.000 0.311 523 W C 1.603 178.098 176.519 -0.040 0.000 1.213 523 W CA 1.181 58.516 57.345 -0.016 0.000 1.274 523 W CB -0.651 28.871 29.460 0.102 0.000 1.148 523 W HN 0.085 nan 8.180 nan 0.000 0.498 524 L N 0.814 122.197 121.223 0.266 0.000 2.129 524 L HA -0.254 4.101 4.340 0.026 0.000 0.212 524 L C 2.158 179.095 176.870 0.111 0.000 1.087 524 L CA 2.006 56.933 54.840 0.146 0.000 0.757 524 L CB -1.060 41.070 42.059 0.118 0.000 0.896 524 L HN -0.007 nan 8.230 nan 0.000 0.434 525 S N -1.412 114.338 115.700 0.083 0.000 2.572 525 S HA 0.277 4.762 4.470 0.026 0.000 0.228 525 S C 0.577 175.167 174.600 -0.017 0.000 0.963 525 S CA -0.538 57.683 58.200 0.035 0.000 0.939 525 S CB -0.402 62.817 63.200 0.033 0.000 0.804 525 S HN 0.150 nan 8.310 nan 0.000 0.480 526 L N 1.785 122.988 121.223 -0.033 0.000 2.499 526 L HA 0.223 4.579 4.340 0.026 0.000 0.281 526 L C -2.243 174.591 176.870 -0.060 0.000 1.234 526 L CA -1.700 53.067 54.840 -0.122 0.000 0.839 526 L CB -0.427 41.520 42.059 -0.187 0.000 1.104 526 L HN 0.006 nan 8.230 nan 0.000 0.500 527 P HA -0.006 nan 4.420 nan 0.000 0.261 527 P C 0.727 178.018 177.300 -0.016 0.000 1.183 527 P CA 1.036 64.110 63.100 -0.043 0.000 0.761 527 P CB 0.604 32.273 31.700 -0.051 0.000 0.785 528 G N 1.848 110.646 108.800 -0.003 0.000 2.245 528 G HA2 -0.291 3.685 3.960 0.026 0.000 0.264 528 G HA3 -0.291 3.685 3.960 0.026 0.000 0.264 528 G C 0.318 175.233 174.900 0.024 0.000 0.985 528 G CA 0.229 45.335 45.100 0.010 0.000 0.625 528 G HN 0.617 nan 8.290 nan 0.000 0.536 529 E N 1.068 121.287 120.200 0.032 0.000 2.360 529 E HA 0.564 4.930 4.350 0.026 0.000 0.269 529 E C 1.336 177.960 176.600 0.039 0.000 1.022 529 E CA 0.825 57.257 56.400 0.053 0.000 0.887 529 E CB 0.670 30.430 29.700 0.099 0.000 0.990 529 E HN 0.569 nan 8.360 nan 0.000 0.426 530 T N 0.633 115.207 114.554 0.032 0.000 3.186 530 T HA 0.323 4.689 4.350 0.026 0.000 0.292 530 T C 0.512 175.220 174.700 0.014 0.000 0.915 530 T CA -0.514 61.600 62.100 0.023 0.000 0.902 530 T CB 0.051 68.931 68.868 0.021 0.000 1.192 530 T HN 0.260 nan 8.240 nan 0.000 0.563 531 R N 2.386 122.889 120.500 0.005 0.000 2.637 531 R HA 0.459 4.815 4.340 0.026 0.000 0.269 531 R C -2.472 173.806 176.300 -0.036 0.000 1.089 531 R CA -1.759 54.333 56.100 -0.014 0.000 1.177 531 R CB 0.103 30.386 30.300 -0.028 0.000 1.091 531 R HN 0.232 nan 8.270 nan 0.000 0.540 532 P HA 0.101 nan 4.420 nan 0.000 0.276 532 P C -1.119 176.110 177.300 -0.118 0.000 1.244 532 P CA -0.148 62.909 63.100 -0.071 0.000 0.801 532 P CB 0.748 32.407 31.700 -0.069 0.000 1.006 533 L N 2.373 123.505 121.223 -0.151 0.000 2.381 533 L HA 0.585 4.941 4.340 0.026 0.000 0.274 533 L C -1.026 175.700 176.870 -0.240 0.000 0.988 533 L CA -0.694 54.018 54.840 -0.213 0.000 0.824 533 L CB 0.761 42.690 42.059 -0.216 0.000 1.263 533 L HN 0.235 nan 8.230 nan 0.000 0.410 534 I N 5.759 126.192 120.570 -0.229 0.000 2.497 534 I HA 0.245 4.431 4.170 0.026 0.000 0.284 534 I C -0.801 175.218 176.117 -0.163 0.000 1.060 534 I CA -0.535 60.616 61.300 -0.249 0.000 1.071 534 I CB 1.915 39.823 38.000 -0.153 0.000 1.216 534 I HN 0.463 nan 8.210 nan 0.000 0.442 535 L N 5.507 126.600 121.223 -0.217 0.000 2.499 535 L HA 0.007 4.363 4.340 0.026 0.000 0.273 535 L C 1.546 178.490 176.870 0.124 0.000 1.195 535 L CA -0.045 54.741 54.840 -0.089 0.000 0.882 535 L CB 0.536 42.517 42.059 -0.130 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.483 536 C N 0.265 119.620 119.300 0.092 0.000 2.448 536 C HA 0.129 4.604 4.460 0.026 0.000 0.280 536 C C 0.679 175.818 174.990 0.249 0.000 1.398 536 C CA -0.140 58.978 59.018 0.166 0.000 1.774 536 C CB -1.043 26.709 27.740 0.020 0.000 1.888 536 C HN 0.835 nan 8.230 nan 0.000 0.519 537 E N -0.944 119.336 120.200 0.133 0.000 2.321 537 E HA 0.615 4.980 4.350 0.026 0.000 0.281 537 E C -1.301 175.272 176.600 -0.045 0.000 0.910 537 E CA -0.422 56.055 56.400 0.127 0.000 0.770 537 E CB 2.000 31.604 29.700 -0.160 0.000 1.225 537 E HN 0.671 nan 8.360 nan 0.000 0.417 538 Y N -0.737 119.575 120.300 0.020 0.000 2.725 538 Y HA 0.658 5.225 4.550 0.028 0.000 0.333 538 Y C -0.635 175.448 175.900 0.305 0.000 1.242 538 Y CA -0.956 57.159 58.100 0.024 0.000 1.059 538 Y CB 0.886 39.206 38.460 -0.232 0.000 1.306 538 Y HN 0.624 nan 8.280 nan 0.000 0.454 539 A N 1.816 124.710 122.820 0.123 0.000 2.303 539 A HA -0.270 4.066 4.320 0.026 0.000 0.286 539 A C -0.387 177.311 177.584 0.189 0.000 1.429 539 A CA 1.068 53.158 52.037 0.088 0.000 0.738 539 A CB -2.485 16.456 19.000 -0.098 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.753 119.968 119.070 0.242 0.000 3.191 540 H HA 0.260 4.832 4.556 0.026 0.000 0.261 540 H C 1.117 176.485 175.328 0.066 0.000 1.013 540 H CA 0.778 56.963 56.048 0.227 0.000 1.457 540 H CB 0.405 30.175 29.762 0.014 0.000 1.535 540 H HN 0.799 nan 8.280 nan 0.000 0.518 541 A N 6.698 129.390 122.820 -0.215 0.000 2.840 541 A HA 0.067 4.402 4.320 0.026 0.000 0.269 541 A C 0.843 178.271 177.584 -0.261 0.000 1.439 541 A CA -0.404 51.505 52.037 -0.213 0.000 1.083 541 A CB -0.596 18.276 19.000 -0.212 0.000 1.019 541 A HN 0.791 nan 8.150 nan 0.000 0.607 542 M N 1.423 120.841 119.600 -0.304 0.000 2.143 542 M HA 0.449 4.945 4.480 0.026 0.000 0.348 542 M C 0.952 177.100 176.300 -0.254 0.000 1.375 542 M CA 1.240 56.383 55.300 -0.263 0.000 1.124 542 M CB -0.105 32.391 32.600 -0.175 0.000 1.669 542 M HN 0.825 nan 8.290 nan 0.000 0.469 543 G N 4.312 112.924 108.800 -0.313 0.000 2.552 543 G HA2 -0.335 3.640 3.960 0.026 0.000 0.265 543 G HA3 -0.335 3.640 3.960 0.026 0.000 0.265 543 G C -0.236 174.145 174.900 -0.866 0.000 1.234 543 G CA 0.005 44.731 45.100 -0.622 0.000 0.944 543 G HN 0.855 nan 8.290 nan 0.000 0.568 544 N N 1.212 119.273 118.700 -1.065 0.000 2.466 544 N HA 0.476 5.232 4.740 0.026 0.000 0.263 544 N C 0.084 175.345 175.510 -0.415 0.000 1.178 544 N CA 1.119 53.717 53.050 -0.753 0.000 0.983 544 N CB 0.387 38.452 38.487 -0.703 0.000 1.331 544 N HN 0.851 nan 8.380 nan 0.000 0.500 545 S N 2.113 117.648 115.700 -0.275 0.000 2.998 545 S HA 0.591 5.077 4.470 0.026 0.000 0.321 545 S C -0.133 174.398 174.600 -0.115 0.000 1.171 545 S CA -0.339 57.753 58.200 -0.180 0.000 0.882 545 S CB 0.056 63.161 63.200 -0.158 0.000 1.301 545 S HN 0.353 nan 8.310 nan 0.000 0.629 546 L N 0.120 121.307 121.223 -0.061 0.000 4.639 546 L HA -0.047 4.309 4.340 0.026 0.000 0.402 546 L C 0.448 177.354 176.870 0.060 0.000 1.069 546 L CA 0.908 55.737 54.840 -0.018 0.000 1.105 546 L CB -1.699 40.265 42.059 -0.159 0.000 2.122 546 L HN 0.735 nan 8.230 nan 0.000 0.662 547 G N -0.775 108.031 108.800 0.011 0.000 2.361 547 G HA2 0.488 4.464 3.960 0.026 0.000 0.260 547 G HA3 0.488 4.464 3.960 0.026 0.000 0.260 547 G C 1.215 176.154 174.900 0.065 0.000 1.261 547 G CA 0.176 45.262 45.100 -0.023 0.000 0.897 547 G HN 1.390 nan 8.290 nan 0.000 0.499 548 G N 1.777 110.613 108.800 0.061 0.000 2.175 548 G HA2 -0.312 3.664 3.960 0.026 0.000 0.244 548 G HA3 -0.312 3.664 3.960 0.026 0.000 0.244 548 G C 0.997 176.078 174.900 0.302 0.000 0.982 548 G CA 0.699 45.891 45.100 0.152 0.000 0.641 548 G HN 0.759 nan 8.290 nan 0.000 0.527 549 F N 1.882 121.948 119.950 0.194 0.000 2.091 549 F HA 0.075 4.618 4.527 0.027 0.000 0.299 549 F C 2.705 178.710 175.800 0.341 0.000 1.103 549 F CA 2.742 60.924 58.000 0.303 0.000 1.228 549 F CB -0.484 38.633 39.000 0.193 0.000 0.984 549 F HN 0.356 nan 8.300 nan 0.000 0.477 550 A N -0.388 122.593 122.820 0.269 0.000 2.019 550 A HA -0.245 4.091 4.320 0.026 0.000 0.219 550 A C 2.276 179.879 177.584 0.030 0.000 1.164 550 A CA 1.751 53.872 52.037 0.140 0.000 0.644 550 A CB -0.838 18.249 19.000 0.145 0.000 0.805 550 A HN 0.470 nan 8.150 nan 0.000 0.449 551 K N -1.619 118.787 120.400 0.011 0.000 2.147 551 K HA -0.181 4.155 4.320 0.026 0.000 0.205 551 K C 1.660 178.044 176.600 -0.360 0.000 1.049 551 K CA 1.587 57.798 56.287 -0.126 0.000 0.936 551 K CB -0.307 32.129 32.500 -0.108 0.000 0.722 551 K HN 0.589 nan 8.250 nan 0.000 0.446 552 Y N -0.846 119.187 120.300 -0.444 0.000 2.163 552 Y HA -0.226 4.339 4.550 0.025 0.000 0.288 552 Y C 1.991 176.941 175.900 -1.582 0.000 1.136 552 Y CA 1.551 59.031 58.100 -1.034 0.000 1.147 552 Y CB -0.323 37.514 38.460 -1.038 0.000 0.987 552 Y HN 0.155 nan 8.280 nan 0.000 0.509 553 W N 0.087 120.951 121.300 -0.725 0.000 2.363 553 W HA -0.216 4.461 4.660 0.029 0.000 0.296 553 W C 2.632 178.963 176.519 -0.313 0.000 1.212 553 W CA 1.578 58.617 57.345 -0.509 0.000 1.260 553 W CB -0.566 28.680 29.460 -0.356 0.000 1.131 553 W HN 0.062 nan 8.180 nan 0.000 0.530 554 Q N 0.721 120.426 119.800 -0.159 0.000 2.084 554 Q HA -0.164 4.191 4.340 0.026 0.000 0.202 554 Q C 2.201 178.136 176.000 -0.108 0.000 0.978 554 Q CA 2.019 57.771 55.803 -0.084 0.000 0.844 554 Q CB -0.590 28.113 28.738 -0.058 0.000 0.898 554 Q HN 0.271 nan 8.270 nan 0.000 0.426 555 A N 0.037 122.706 122.820 -0.251 0.000 1.898 555 A HA -0.114 4.222 4.320 0.026 0.000 0.216 555 A C 2.048 179.595 177.584 -0.060 0.000 1.181 555 A CA 1.102 53.025 52.037 -0.189 0.000 0.620 555 A CB -1.081 17.687 19.000 -0.385 0.000 0.819 555 A HN 0.475 nan 8.150 nan 0.000 0.442 556 F N -0.426 119.344 119.950 -0.300 0.000 2.161 556 F HA -0.217 4.326 4.527 0.027 0.000 0.300 556 F C 2.765 178.458 175.800 -0.178 0.000 1.089 556 F CA 1.143 58.931 58.000 -0.353 0.000 1.282 556 F CB -0.156 38.398 39.000 -0.743 0.000 1.010 556 F HN 0.162 nan 8.300 nan 0.000 0.485 557 R N -0.002 120.539 120.500 0.069 0.000 2.119 557 R HA -0.143 4.212 4.340 0.026 0.000 0.222 557 R C 2.110 178.438 176.300 0.046 0.000 1.088 557 R CA 1.040 57.169 56.100 0.049 0.000 0.984 557 R CB -0.346 29.978 30.300 0.040 0.000 0.884 557 R HN 0.371 nan 8.270 nan 0.000 0.447 558 Q N -0.294 119.559 119.800 0.088 0.000 2.269 558 Q HA -0.049 4.307 4.340 0.026 0.000 0.201 558 Q C -0.493 175.520 176.000 0.021 0.000 0.946 558 Q CA 0.845 56.684 55.803 0.060 0.000 0.877 558 Q CB 0.403 29.195 28.738 0.090 0.000 0.963 558 Q HN 0.191 nan 8.270 nan 0.000 0.472 559 Y N 0.269 120.548 120.300 -0.035 0.000 2.342 559 Y HA 0.281 4.845 4.550 0.023 0.000 0.338 559 Y C -1.772 174.101 175.900 -0.045 0.000 0.965 559 Y CA -2.772 55.307 58.100 -0.034 0.000 1.159 559 Y CB 1.543 39.988 38.460 -0.025 0.000 1.157 559 Y HN 0.100 nan 8.280 nan 0.000 0.486 560 P HA -0.191 nan 4.420 nan 0.000 0.214 560 P C 1.153 178.454 177.300 0.003 0.000 1.163 560 P CA 1.912 65.013 63.100 0.001 0.000 0.889 560 P CB 0.298 31.985 31.700 -0.023 0.000 0.790 561 R N -1.161 119.360 120.500 0.034 0.000 2.316 561 R HA 0.060 4.415 4.340 0.026 0.000 0.202 561 R C 0.506 176.786 176.300 -0.034 0.000 1.029 561 R CA 0.184 56.286 56.100 0.003 0.000 1.018 561 R CB -0.581 29.732 30.300 0.022 0.000 0.888 561 R HN 0.246 nan 8.270 nan 0.000 0.471 562 L N 1.885 123.106 121.223 -0.004 0.000 2.334 562 L HA 0.112 4.468 4.340 0.026 0.000 0.286 562 L C 0.595 177.324 176.870 -0.236 0.000 1.108 562 L CA 0.140 54.928 54.840 -0.087 0.000 0.875 562 L CB 1.039 43.119 42.059 0.035 0.000 1.246 562 L HN 0.084 nan 8.230 nan 0.000 0.439 563 Q N 2.583 122.171 119.800 -0.354 0.000 2.212 563 Q HA 0.273 4.628 4.340 0.026 0.000 0.213 563 Q C 0.946 176.532 176.000 -0.690 0.000 0.874 563 Q CA 0.193 55.749 55.803 -0.412 0.000 0.965 563 Q CB 0.845 29.430 28.738 -0.254 0.000 1.074 563 Q HN 0.957 nan 8.270 nan 0.000 0.473 564 G N -0.258 107.755 108.800 -1.311 0.000 2.464 564 G HA2 0.061 4.037 3.960 0.026 0.000 0.216 564 G HA3 0.061 4.037 3.960 0.026 0.000 0.216 564 G C -0.221 173.787 174.900 -1.486 0.000 1.186 564 G CA -0.758 43.110 45.100 -2.054 0.000 1.010 564 G HN 0.602 nan 8.290 nan 0.000 0.585 565 G N -2.128 106.116 108.800 -0.927 0.000 2.356 565 G HA2 0.631 4.607 3.960 0.026 0.000 0.294 565 G HA3 0.631 4.607 3.960 0.026 0.000 0.294 565 G C -1.808 172.979 174.900 -0.189 0.000 1.423 565 G CA -0.275 44.506 45.100 -0.531 0.000 0.806 565 G HN 1.120 nan 8.290 nan 0.000 0.527 566 F N 0.790 120.972 119.950 0.388 0.000 2.403 566 F HA 0.504 5.046 4.527 0.024 0.000 0.355 566 F C 0.841 176.922 175.800 0.469 0.000 1.119 566 F CA -0.726 57.518 58.000 0.406 0.000 1.007 566 F CB 2.000 41.144 39.000 0.240 0.000 1.194 566 F HN 0.256 nan 8.300 nan 0.000 0.443 567 V N 3.485 123.695 119.914 0.494 0.000 2.901 567 V HA -0.161 3.975 4.120 0.026 0.000 0.307 567 V C -0.222 176.011 176.094 0.231 0.000 1.084 567 V CA -0.118 62.263 62.300 0.136 0.000 1.184 567 V CB 0.751 32.659 31.823 0.142 0.000 0.941 567 V HN 0.756 nan 8.190 nan 0.000 0.493 568 W N 6.516 127.895 121.300 0.131 0.000 2.282 568 W HA 0.445 5.121 4.660 0.026 0.000 0.322 568 W C -0.843 175.671 176.519 -0.008 0.000 1.011 568 W CA -0.684 56.769 57.345 0.180 0.000 1.392 568 W CB 1.181 30.919 29.460 0.465 0.000 1.215 568 W HN 0.922 nan 8.180 nan 0.000 0.394 569 D N 2.484 122.508 120.400 -0.626 0.000 2.825 569 D HA 0.087 4.743 4.640 0.026 0.000 0.327 569 D C 0.702 176.748 176.300 -0.424 0.000 1.277 569 D CA -0.565 52.960 54.000 -0.792 0.000 0.950 569 D CB 0.177 39.929 40.800 -1.746 0.000 1.438 569 D HN 0.391 nan 8.370 nan 0.000 0.526 570 W N 0.332 121.299 121.300 -0.554 0.000 2.380 570 W HA 0.118 4.793 4.660 0.026 0.000 0.317 570 W C -0.051 176.228 176.519 -0.399 0.000 1.196 570 W CA 1.245 58.322 57.345 -0.447 0.000 1.307 570 W CB 0.333 29.556 29.460 -0.395 0.000 1.157 570 W HN 0.161 nan 8.180 nan 0.000 0.483 571 V N 2.387 122.033 119.914 -0.447 0.000 2.789 571 V HA 0.241 4.376 4.120 0.026 0.000 0.311 571 V C -0.892 174.976 176.094 -0.376 0.000 1.073 571 V CA -0.841 61.146 62.300 -0.522 0.000 0.921 571 V CB 1.597 33.215 31.823 -0.342 0.000 1.009 571 V HN -0.108 nan 8.190 nan 0.000 0.426 572 D N 3.904 124.088 120.400 -0.360 0.000 2.488 572 D HA 0.111 4.766 4.640 0.026 0.000 0.238 572 D C 0.294 176.412 176.300 -0.303 0.000 1.138 572 D CA 0.585 54.433 54.000 -0.253 0.000 0.873 572 D CB 0.936 41.678 40.800 -0.096 0.000 1.183 572 D HN 0.606 nan 8.370 nan 0.000 0.458 573 Q N 1.040 120.593 119.800 -0.412 0.000 2.938 573 Q HA 0.110 4.465 4.340 0.026 0.000 0.343 573 Q C -0.044 175.887 176.000 -0.115 0.000 1.185 573 Q CA -0.307 55.017 55.803 -0.798 0.000 0.939 573 Q CB 0.022 28.430 28.738 -0.550 0.000 1.480 573 Q HN 0.362 nan 8.270 nan 0.000 0.442 574 S N -0.251 115.493 115.700 0.073 0.000 2.610 574 S HA 0.593 5.079 4.470 0.026 0.000 0.273 574 S C -0.101 174.666 174.600 0.279 0.000 1.274 574 S CA -0.728 57.636 58.200 0.272 0.000 1.023 574 S CB 1.377 64.721 63.200 0.240 0.000 0.962 574 S HN 0.329 nan 8.310 nan 0.000 0.523 575 L N 1.823 123.139 121.223 0.156 0.000 2.354 575 L HA 0.529 4.885 4.340 0.026 0.000 0.269 575 L C -0.457 176.320 176.870 -0.155 0.000 1.005 575 L CA -1.183 53.629 54.840 -0.046 0.000 0.819 575 L CB 1.579 43.497 42.059 -0.235 0.000 1.311 575 L HN 0.565 nan 8.230 nan 0.000 0.423 576 I N 2.390 122.815 120.570 -0.241 0.000 2.395 576 I HA 0.267 4.452 4.170 0.026 0.000 0.289 576 I C 0.136 175.852 176.117 -0.668 0.000 1.023 576 I CA -0.068 60.959 61.300 -0.455 0.000 1.350 576 I CB 1.115 38.865 38.000 -0.417 0.000 1.409 576 I HN 0.576 nan 8.210 nan 0.000 0.507 577 K N 5.401 125.128 120.400 -1.121 0.000 2.352 577 K HA 0.577 4.913 4.320 0.026 0.000 0.240 577 K C -1.537 174.269 176.600 -1.324 0.000 1.017 577 K CA -0.700 54.857 56.287 -1.216 0.000 0.851 577 K CB 2.185 33.743 32.500 -1.570 0.000 1.261 577 K HN 0.237 nan 8.250 nan 0.000 0.451 578 Y N 0.808 120.888 120.300 -0.366 0.000 2.376 578 Y HA 0.137 4.702 4.550 0.026 0.000 0.340 578 Y C 0.147 176.148 175.900 0.167 0.000 0.965 578 Y CA -1.139 56.920 58.100 -0.068 0.000 1.078 578 Y CB 1.226 39.659 38.460 -0.045 0.000 1.193 578 Y HN 0.676 nan 8.280 nan 0.000 0.452 579 D N 0.185 120.832 120.400 0.411 0.000 2.440 579 D HA 0.060 4.716 4.640 0.026 0.000 0.269 579 D C 0.601 177.009 176.300 0.181 0.000 1.249 579 D CA -0.370 53.815 54.000 0.308 0.000 1.055 579 D CB 0.540 41.455 40.800 0.191 0.000 1.104 579 D HN 0.662 nan 8.370 nan 0.000 0.561 580 E N -0.591 119.676 120.200 0.112 0.000 2.118 580 E HA -0.209 4.157 4.350 0.026 0.000 0.195 580 E C 1.167 177.806 176.600 0.065 0.000 0.992 580 E CA 1.270 57.712 56.400 0.070 0.000 0.804 580 E CB -0.429 29.293 29.700 0.038 0.000 0.741 580 E HN 0.342 nan 8.360 nan 0.000 0.458 581 N N 0.048 118.792 118.700 0.074 0.000 2.521 581 N HA 0.025 4.781 4.740 0.026 0.000 0.188 581 N C 1.020 176.579 175.510 0.081 0.000 1.146 581 N CA 1.001 54.090 53.050 0.064 0.000 0.893 581 N CB 0.840 39.362 38.487 0.059 0.000 0.975 581 N HN 0.399 nan 8.380 nan 0.000 0.451 582 G N 0.430 109.303 108.800 0.121 0.000 2.159 582 G HA2 -0.254 3.721 3.960 0.026 0.000 0.256 582 G HA3 -0.254 3.721 3.960 0.026 0.000 0.256 582 G C -0.193 174.851 174.900 0.239 0.000 0.977 582 G CA -0.355 44.826 45.100 0.134 0.000 0.652 582 G HN 0.291 nan 8.290 nan 0.000 0.531 583 N N 1.913 120.751 118.700 0.230 0.000 2.499 583 N HA 0.438 5.194 4.740 0.026 0.000 0.281 583 N C -2.412 173.251 175.510 0.256 0.000 1.098 583 N CA -1.075 52.111 53.050 0.226 0.000 0.979 583 N CB 1.667 40.248 38.487 0.157 0.000 1.121 583 N HN 0.193 nan 8.380 nan 0.000 0.466 584 P HA 0.229 nan 4.420 nan 0.000 0.275 584 P C -0.521 176.758 177.300 -0.036 0.000 1.228 584 P CA -0.269 62.723 63.100 -0.180 0.000 0.786 584 P CB 0.639 32.234 31.700 -0.174 0.000 0.927 585 W N -0.491 120.582 121.300 -0.379 0.000 3.217 585 W HA 0.407 5.082 4.660 0.026 0.000 0.323 585 W C -1.436 174.909 176.519 -0.291 0.000 1.216 585 W CA -1.069 56.061 57.345 -0.359 0.000 1.194 585 W CB 0.333 29.370 29.460 -0.705 0.000 1.397 585 W HN 0.118 nan 8.180 nan 0.000 0.537 586 S N 1.881 117.655 115.700 0.124 0.000 2.455 586 S HA 0.528 5.014 4.470 0.026 0.000 0.278 586 S C 0.245 175.006 174.600 0.267 0.000 1.216 586 S CA -0.100 58.171 58.200 0.119 0.000 1.055 586 S CB 0.609 63.928 63.200 0.199 0.000 0.939 586 S HN 0.601 nan 8.310 nan 0.000 0.494 587 A N 3.088 125.932 122.820 0.040 0.000 2.330 587 A HA 0.909 5.245 4.320 0.026 0.000 0.329 587 A C -0.683 177.150 177.584 0.416 0.000 1.135 587 A CA -0.776 51.332 52.037 0.118 0.000 0.817 587 A CB 0.785 19.559 19.000 -0.376 0.000 1.269 587 A HN 0.829 nan 8.150 nan 0.000 0.469 588 Y N -1.038 119.573 120.300 0.519 0.000 3.048 588 Y HA 0.767 5.333 4.550 0.027 0.000 0.305 588 Y C 0.672 176.937 175.900 0.608 0.000 1.538 588 Y CA -1.372 57.045 58.100 0.529 0.000 1.082 588 Y CB -0.121 38.493 38.460 0.256 0.000 1.388 588 Y HN 0.932 nan 8.280 nan 0.000 0.557 589 G N -0.121 109.105 108.800 0.710 0.000 2.265 589 G HA2 0.367 4.342 3.960 0.026 0.000 0.240 589 G HA3 0.367 4.342 3.960 0.026 0.000 0.240 589 G C 0.972 176.193 174.900 0.535 0.000 1.270 589 G CA 0.483 45.918 45.100 0.559 0.000 0.901 589 G HN 1.982 nan 8.290 nan 0.000 0.507 590 G N 2.268 111.341 108.800 0.455 0.000 2.253 590 G HA2 -0.290 3.686 3.960 0.026 0.000 0.251 590 G HA3 -0.290 3.686 3.960 0.026 0.000 0.251 590 G C 0.942 176.025 174.900 0.304 0.000 0.998 590 G CA 0.697 46.002 45.100 0.341 0.000 0.621 590 G HN 0.643 nan 8.290 nan 0.000 0.524 591 D N -0.172 120.413 120.400 0.309 0.000 2.378 591 D HA 0.105 4.761 4.640 0.026 0.000 0.222 591 D C 1.397 177.556 176.300 -0.235 0.000 0.980 591 D CA 0.545 54.567 54.000 0.036 0.000 0.907 591 D CB -0.209 40.560 40.800 -0.051 0.000 0.899 591 D HN 0.495 nan 8.370 nan 0.000 0.527 592 F N -0.803 119.274 119.950 0.211 0.000 2.639 592 F HA 0.300 4.843 4.527 0.026 0.000 0.302 592 F C 1.799 177.685 175.800 0.144 0.000 1.097 592 F CA -0.110 57.974 58.000 0.141 0.000 1.294 592 F CB 0.722 39.805 39.000 0.137 0.000 1.027 592 F HN -0.048 nan 8.300 nan 0.000 0.550 593 G N 0.413 109.364 108.800 0.252 0.000 2.159 593 G HA2 -0.271 3.705 3.960 0.026 0.000 0.256 593 G HA3 -0.271 3.705 3.960 0.026 0.000 0.256 593 G C -0.245 174.787 174.900 0.221 0.000 0.977 593 G CA 0.128 45.346 45.100 0.197 0.000 0.652 593 G HN 0.403 nan 8.290 nan 0.000 0.531 594 D N 0.493 121.070 120.400 0.296 0.000 2.383 594 D HA 0.510 5.166 4.640 0.026 0.000 0.252 594 D C 0.133 176.547 176.300 0.190 0.000 1.166 594 D CA 0.850 55.011 54.000 0.269 0.000 0.879 594 D CB 1.641 42.660 40.800 0.364 0.000 1.164 594 D HN 0.424 nan 8.370 nan 0.000 0.462 595 T N 1.129 115.766 114.554 0.138 0.000 3.159 595 T HA 0.427 4.793 4.350 0.026 0.000 0.343 595 T C -2.808 171.925 174.700 0.055 0.000 1.364 595 T CA -1.124 61.028 62.100 0.087 0.000 1.102 595 T CB 1.141 70.060 68.868 0.085 0.000 1.263 595 T HN 0.225 nan 8.240 nan 0.000 0.477 596 P HA 0.547 nan 4.420 nan 0.000 0.274 596 P C -0.965 176.317 177.300 -0.029 0.000 1.256 596 P CA -0.379 62.717 63.100 -0.008 0.000 0.795 596 P CB 0.390 32.060 31.700 -0.049 0.000 1.038 597 N N -1.933 116.740 118.700 -0.045 0.000 2.732 597 N HA 0.274 5.030 4.740 0.026 0.000 0.259 597 N C -1.084 174.335 175.510 -0.152 0.000 1.402 597 N CA -0.745 52.243 53.050 -0.104 0.000 0.829 597 N CB 0.728 39.246 38.487 0.051 0.000 1.495 597 N HN 0.060 nan 8.380 nan 0.000 0.511 598 D N -0.321 119.903 120.400 -0.293 0.000 2.525 598 D HA 0.128 4.784 4.640 0.026 0.000 0.229 598 D C 0.573 176.984 176.300 0.186 0.000 1.202 598 D CA -0.088 53.818 54.000 -0.156 0.000 0.828 598 D CB 0.032 40.641 40.800 -0.318 0.000 1.008 598 D HN 0.733 nan 8.370 nan 0.000 0.493 599 R N 0.864 121.518 120.500 0.256 0.000 3.682 599 R HA -0.334 4.022 4.340 0.026 0.000 0.519 599 R C 1.110 177.491 176.300 0.135 0.000 0.241 599 R CA 1.667 57.958 56.100 0.318 0.000 1.619 599 R CB -1.605 28.798 30.300 0.173 0.000 0.923 599 R HN 0.151 nan 8.270 nan 0.000 0.598 600 Q N 1.177 120.754 119.800 -0.371 0.000 2.482 600 Q HA -0.049 4.306 4.340 0.026 0.000 0.209 600 Q C 1.624 177.489 176.000 -0.224 0.000 0.961 600 Q CA 1.336 56.766 55.803 -0.622 0.000 0.945 600 Q CB -0.029 28.144 28.738 -0.941 0.000 1.012 600 Q HN 0.582 nan 8.270 nan 0.000 0.515 601 F N 2.268 122.160 119.950 -0.097 0.000 2.449 601 F HA -0.143 4.399 4.527 0.026 0.000 0.299 601 F C 1.905 177.679 175.800 -0.044 0.000 1.092 601 F CA 0.927 58.941 58.000 0.025 0.000 1.446 601 F CB -0.027 39.046 39.000 0.121 0.000 1.084 601 F HN 0.437 nan 8.300 nan 0.000 0.567 602 C N -1.091 117.913 119.300 -0.494 0.000 2.626 602 C HA 0.303 4.779 4.460 0.026 0.000 0.266 602 C C 0.927 175.652 174.990 -0.440 0.000 1.317 602 C CA -0.532 57.993 59.018 -0.822 0.000 1.716 602 C CB -1.869 24.822 27.740 -1.748 0.000 1.819 602 C HN 0.222 nan 8.230 nan 0.000 0.578 603 M N 2.561 121.963 119.600 -0.330 0.000 2.060 603 M HA 0.283 4.779 4.480 0.026 0.000 0.342 603 M C -0.400 175.751 176.300 -0.248 0.000 1.031 603 M CA 0.326 55.491 55.300 -0.226 0.000 0.981 603 M CB 0.056 32.588 32.600 -0.113 0.000 1.376 603 M HN 0.346 nan 8.290 nan 0.000 0.397 604 N N 0.998 119.534 118.700 -0.274 0.000 2.377 604 N HA 0.224 4.980 4.740 0.026 0.000 0.259 604 N C 0.192 175.481 175.510 -0.369 0.000 1.332 604 N CA -0.552 52.291 53.050 -0.345 0.000 0.877 604 N CB 1.310 39.623 38.487 -0.291 0.000 1.299 604 N HN 0.648 nan 8.380 nan 0.000 0.501 605 G N -0.196 108.388 108.800 -0.362 0.000 2.488 605 G HA2 0.402 4.377 3.960 0.026 0.000 0.318 605 G HA3 0.402 4.377 3.960 0.026 0.000 0.318 605 G C 0.653 175.210 174.900 -0.571 0.000 1.188 605 G CA -0.571 44.234 45.100 -0.492 0.000 0.944 605 G HN 0.083 nan 8.290 nan 0.000 0.495 606 L N -0.468 120.374 121.223 -0.635 0.000 2.395 606 L HA 0.127 4.482 4.340 0.026 0.000 0.218 606 L C 0.815 177.106 176.870 -0.966 0.000 1.130 606 L CA 0.383 54.858 54.840 -0.609 0.000 0.826 606 L CB -0.269 41.522 42.059 -0.447 0.000 0.941 606 L HN 0.368 nan 8.230 nan 0.000 0.451 607 V N -5.201 113.985 119.914 -1.213 0.000 3.040 607 V HA 0.471 4.607 4.120 0.026 0.000 0.312 607 V C -0.295 175.192 176.094 -1.012 0.000 1.115 607 V CA -1.273 60.362 62.300 -1.109 0.000 0.998 607 V CB 1.643 32.882 31.823 -0.973 0.000 1.042 607 V HN -0.146 nan 8.190 nan 0.000 0.433 608 F N 1.422 121.029 119.950 -0.571 0.000 2.440 608 F HA 0.563 5.106 4.527 0.027 0.000 0.323 608 F C 1.955 177.611 175.800 -0.240 0.000 1.192 608 F CA 0.545 58.391 58.000 -0.256 0.000 1.252 608 F CB 1.032 39.980 39.000 -0.087 0.000 1.214 608 F HN 0.787 nan 8.300 nan 0.000 0.578 609 A N 0.786 123.658 122.820 0.086 0.000 1.986 609 A HA -0.242 4.094 4.320 0.026 0.000 0.220 609 A C 1.600 179.147 177.584 -0.062 0.000 1.171 609 A CA 1.974 54.020 52.037 0.015 0.000 0.640 609 A CB -0.973 18.077 19.000 0.083 0.000 0.811 609 A HN 0.798 nan 8.150 nan 0.000 0.451 610 D N -3.063 117.312 120.400 -0.040 0.000 2.319 610 D HA 0.163 4.819 4.640 0.026 0.000 0.230 610 D C 0.726 176.990 176.300 -0.059 0.000 1.094 610 D CA 0.034 53.981 54.000 -0.087 0.000 0.856 610 D CB -0.068 40.685 40.800 -0.079 0.000 0.915 610 D HN 0.257 nan 8.370 nan 0.000 0.517 611 R N -1.997 118.461 120.500 -0.069 0.000 3.728 611 R HA -0.121 4.234 4.340 0.026 0.000 0.478 611 R C -0.256 176.012 176.300 -0.053 0.000 0.932 611 R CA 1.188 57.238 56.100 -0.082 0.000 1.317 611 R CB -3.066 27.228 30.300 -0.010 0.000 1.987 611 R HN 0.247 nan 8.270 nan 0.000 0.509 612 T N 2.836 117.398 114.554 0.014 0.000 2.888 612 T HA 0.308 4.673 4.350 0.026 0.000 0.301 612 T C -2.318 172.435 174.700 0.087 0.000 1.001 612 T CA -0.641 61.501 62.100 0.069 0.000 1.147 612 T CB 0.931 69.856 68.868 0.095 0.000 0.931 612 T HN -0.079 nan 8.240 nan 0.000 0.541 613 P HA 0.210 nan 4.420 nan 0.000 0.275 613 P C -0.128 177.155 177.300 -0.028 0.000 1.228 613 P CA -0.239 62.802 63.100 -0.099 0.000 0.786 613 P CB 0.474 32.148 31.700 -0.043 0.000 0.927 614 H N 2.468 121.355 119.070 -0.306 0.000 2.505 614 H HA 0.154 4.726 4.556 0.026 0.000 0.358 614 H C -1.221 173.994 175.328 -0.187 0.000 1.304 614 H CA -1.953 53.882 56.048 -0.355 0.000 1.393 614 H CB 0.267 29.771 29.762 -0.429 0.000 1.591 614 H HN 0.322 nan 8.280 nan 0.000 0.595 615 P HA -0.138 nan 4.420 nan 0.000 0.218 615 P C 1.012 178.306 177.300 -0.009 0.000 1.149 615 P CA 1.397 64.481 63.100 -0.025 0.000 0.817 615 P CB -0.004 31.677 31.700 -0.030 0.000 0.785 616 A N -0.521 122.295 122.820 -0.007 0.000 2.070 616 A HA -0.163 4.173 4.320 0.026 0.000 0.220 616 A C 2.050 179.584 177.584 -0.084 0.000 1.159 616 A CA 1.083 53.084 52.037 -0.060 0.000 0.656 616 A CB -1.561 17.380 19.000 -0.098 0.000 0.800 616 A HN 0.157 nan 8.150 nan 0.000 0.453 617 L N -0.556 120.634 121.223 -0.055 0.000 2.079 617 L HA -0.122 4.234 4.340 0.026 0.000 0.210 617 L C 2.510 179.417 176.870 0.061 0.000 1.081 617 L CA 2.682 57.522 54.840 -0.000 0.000 0.752 617 L CB -0.971 41.082 42.059 -0.010 0.000 0.896 617 L HN 0.380 nan 8.230 nan 0.000 0.433 618 T N -1.629 112.967 114.554 0.070 0.000 2.867 618 T HA -0.203 4.162 4.350 0.026 0.000 0.268 618 T C 1.807 176.612 174.700 0.175 0.000 1.057 618 T CA 1.469 63.665 62.100 0.160 0.000 1.136 618 T CB -0.118 68.826 68.868 0.126 0.000 0.874 618 T HN 0.466 nan 8.240 nan 0.000 0.466 619 E N 0.899 121.145 120.200 0.077 0.000 2.051 619 E HA 0.008 4.374 4.350 0.026 0.000 0.192 619 E C 2.234 178.844 176.600 0.017 0.000 0.991 619 E CA 1.526 57.973 56.400 0.078 0.000 0.799 619 E CB -0.706 29.002 29.700 0.013 0.000 0.748 619 E HN 0.536 nan 8.360 nan 0.000 0.449 620 A N 0.972 123.682 122.820 -0.182 0.000 1.883 620 A HA -0.257 4.079 4.320 0.026 0.000 0.217 620 A C 2.175 179.640 177.584 -0.198 0.000 1.186 620 A CA 2.058 53.940 52.037 -0.259 0.000 0.624 620 A CB -0.677 18.162 19.000 -0.269 0.000 0.822 620 A HN 0.280 nan 8.150 nan 0.000 0.444 621 K N -1.268 119.095 120.400 -0.062 0.000 2.032 621 K HA -0.296 4.040 4.320 0.026 0.000 0.209 621 K C 2.087 178.597 176.600 -0.151 0.000 1.048 621 K CA 2.048 58.317 56.287 -0.030 0.000 0.927 621 K CB -0.369 32.266 32.500 0.224 0.000 0.712 621 K HN 0.629 nan 8.250 nan 0.000 0.441 622 H N 0.521 119.418 119.070 -0.289 0.000 2.321 622 H HA -0.039 4.533 4.556 0.027 0.000 0.300 622 H C 1.972 177.020 175.328 -0.467 0.000 1.087 622 H CA 1.852 57.525 56.048 -0.625 0.000 1.319 622 H CB 0.027 29.453 29.762 -0.559 0.000 1.379 622 H HN 0.257 nan 8.280 nan 0.000 0.501 623 Q N 0.200 119.727 119.800 -0.454 0.000 2.224 623 Q HA -0.099 4.257 4.340 0.026 0.000 0.203 623 Q C 1.593 177.056 176.000 -0.895 0.000 0.970 623 Q CA 1.192 56.647 55.803 -0.580 0.000 0.865 623 Q CB 0.016 28.560 28.738 -0.324 0.000 0.922 623 Q HN 0.707 nan 8.270 nan 0.000 0.445 624 Q N 0.169 119.399 119.800 -0.950 0.000 2.280 624 Q HA 0.071 4.427 4.340 0.026 0.000 0.202 624 Q C -0.076 175.380 176.000 -0.906 0.000 0.903 624 Q CA -0.217 54.886 55.803 -1.167 0.000 0.948 624 Q CB 0.333 28.419 28.738 -1.087 0.000 1.058 624 Q HN 0.369 nan 8.270 nan 0.000 0.493 625 Q N -0.511 118.916 119.800 -0.623 0.000 2.414 625 Q HA -0.053 4.303 4.340 0.026 0.000 0.288 625 Q C -0.152 175.518 176.000 -0.550 0.000 1.086 625 Q CA 0.456 56.033 55.803 -0.377 0.000 0.943 625 Q CB 0.445 29.051 28.738 -0.219 0.000 1.282 625 Q HN 0.299 nan 8.270 nan 0.000 0.438 626 F N 0.137 119.879 119.950 -0.346 0.000 2.695 626 F HA 0.240 4.783 4.527 0.026 0.000 0.303 626 F C -0.202 175.046 175.800 -0.921 0.000 1.091 626 F CA -0.072 57.479 58.000 -0.749 0.000 1.300 626 F CB 0.554 38.769 39.000 -1.308 0.000 1.071 626 F HN 0.291 nan 8.300 nan 0.000 0.578 627 F N 0.568 120.440 119.950 -0.129 0.000 2.507 627 F HA 0.489 5.032 4.527 0.028 0.000 0.325 627 F C -0.047 175.429 175.800 -0.539 0.000 1.116 627 F CA -1.074 56.751 58.000 -0.291 0.000 0.930 627 F CB 1.279 40.137 39.000 -0.238 0.000 1.146 627 F HN -0.314 nan 8.300 nan 0.000 0.447 628 Q N 3.235 122.796 119.800 -0.398 0.000 2.266 628 Q HA 0.566 4.922 4.340 0.026 0.000 0.261 628 Q C -1.317 174.408 176.000 -0.458 0.000 0.985 628 Q CA -0.577 55.022 55.803 -0.340 0.000 0.873 628 Q CB 2.747 31.402 28.738 -0.137 0.000 1.306 628 Q HN 0.556 nan 8.270 nan 0.000 0.447 629 F N 0.480 120.561 119.950 0.217 0.000 2.576 629 F HA 0.591 5.134 4.527 0.027 0.000 0.313 629 F C 0.372 176.416 175.800 0.406 0.000 1.078 629 F CA -0.856 57.348 58.000 0.340 0.000 0.921 629 F CB 2.043 41.377 39.000 0.558 0.000 1.232 629 F HN 0.139 nan 8.300 nan 0.000 0.459 630 R N 1.733 122.544 120.500 0.518 0.000 2.771 630 R HA 0.736 5.092 4.340 0.026 0.000 0.274 630 R C -2.018 174.336 176.300 0.090 0.000 0.987 630 R CA -1.278 55.040 56.100 0.365 0.000 0.908 630 R CB 3.037 33.454 30.300 0.195 0.000 1.213 630 R HN 0.568 nan 8.270 nan 0.000 0.468 631 L N 0.353 121.502 121.223 -0.124 0.000 2.362 631 L HA 0.550 4.906 4.340 0.026 0.000 0.275 631 L C -1.047 175.680 176.870 -0.238 0.000 0.998 631 L CA -0.025 54.538 54.840 -0.462 0.000 0.820 631 L CB 2.216 43.560 42.059 -1.193 0.000 1.270 631 L HN 0.589 nan 8.230 nan 0.000 0.415 632 S N 3.721 119.303 115.700 -0.195 0.000 2.779 632 S HA 0.748 5.234 4.470 0.026 0.000 0.293 632 S C 0.130 174.649 174.600 -0.135 0.000 1.150 632 S CA 0.325 58.451 58.200 -0.123 0.000 1.057 632 S CB 0.339 63.497 63.200 -0.070 0.000 1.021 632 S HN 1.623 nan 8.310 nan 0.000 0.485 633 G N 4.587 113.310 108.800 -0.129 0.000 2.523 633 G HA2 -0.269 3.707 3.960 0.026 0.000 0.271 633 G HA3 -0.269 3.707 3.960 0.026 0.000 0.271 633 G C -0.105 174.692 174.900 -0.172 0.000 1.146 633 G CA 0.678 45.703 45.100 -0.124 0.000 0.961 633 G HN 1.157 nan 8.290 nan 0.000 0.549 634 Q N 0.287 119.982 119.800 -0.175 0.000 2.157 634 Q HA 0.479 4.835 4.340 0.026 0.000 0.229 634 Q C 0.265 176.127 176.000 -0.229 0.000 0.827 634 Q CA 0.585 56.256 55.803 -0.220 0.000 1.055 634 Q CB -0.361 28.259 28.738 -0.197 0.000 1.157 634 Q HN 0.592 nan 8.270 nan 0.000 0.482 635 T N 1.392 115.826 114.554 -0.201 0.000 2.756 635 T HA 0.612 4.978 4.350 0.026 0.000 0.290 635 T C -0.118 174.472 174.700 -0.184 0.000 0.985 635 T CA -0.407 61.595 62.100 -0.163 0.000 0.955 635 T CB 0.714 69.518 68.868 -0.107 0.000 0.930 635 T HN 0.226 nan 8.240 nan 0.000 0.451 636 I N 2.862 123.335 120.570 -0.161 0.000 2.342 636 I HA 0.286 4.471 4.170 0.026 0.000 0.291 636 I C 0.647 176.782 176.117 0.030 0.000 1.010 636 I CA -0.455 60.781 61.300 -0.107 0.000 1.308 636 I CB 1.054 39.019 38.000 -0.058 0.000 1.400 636 I HN 0.561 nan 8.210 nan 0.000 0.488 637 E N 6.462 126.715 120.200 0.089 0.000 2.133 637 E HA 0.444 4.810 4.350 0.026 0.000 0.274 637 E C -1.552 175.166 176.600 0.196 0.000 0.930 637 E CA -0.609 55.860 56.400 0.114 0.000 0.770 637 E CB 1.583 31.332 29.700 0.082 0.000 1.104 637 E HN 0.353 nan 8.360 nan 0.000 0.403 638 V N 4.194 124.206 119.914 0.163 0.000 2.370 638 V HA 0.322 4.458 4.120 0.026 0.000 0.283 638 V C -0.027 176.105 176.094 0.063 0.000 1.023 638 V CA -0.542 61.820 62.300 0.103 0.000 0.857 638 V CB 1.705 33.630 31.823 0.170 0.000 0.985 638 V HN 0.697 nan 8.190 nan 0.000 0.443 639 T N 3.356 117.906 114.554 -0.006 0.000 2.829 639 T HA 0.381 4.747 4.350 0.026 0.000 0.280 639 T C -0.074 174.635 174.700 0.015 0.000 0.999 639 T CA -0.248 61.858 62.100 0.010 0.000 0.983 639 T CB 1.628 70.477 68.868 -0.032 0.000 0.968 639 T HN 0.684 nan 8.240 nan 0.000 0.446 640 S N 1.579 117.292 115.700 0.022 0.000 2.554 640 S HA 0.249 4.735 4.470 0.026 0.000 0.278 640 S C 0.746 175.218 174.600 -0.214 0.000 1.242 640 S CA -0.569 57.563 58.200 -0.114 0.000 1.051 640 S CB 0.701 63.905 63.200 0.006 0.000 0.986 640 S HN 0.728 nan 8.310 nan 0.000 0.502 641 E N 2.589 122.558 120.200 -0.386 0.000 2.476 641 E HA 0.102 4.468 4.350 0.026 0.000 0.196 641 E C -0.714 175.702 176.600 -0.308 0.000 1.029 641 E CA -0.101 56.106 56.400 -0.321 0.000 0.896 641 E CB 0.282 29.778 29.700 -0.340 0.000 1.012 641 E HN 0.680 nan 8.360 nan 0.000 0.475 642 Y N 0.298 120.464 120.300 -0.224 0.000 2.379 642 Y HA 0.007 4.572 4.550 0.026 0.000 0.337 642 Y C 1.422 177.144 175.900 -0.297 0.000 1.238 642 Y CA 0.017 57.990 58.100 -0.211 0.000 1.405 642 Y CB 0.777 39.102 38.460 -0.226 0.000 1.310 642 Y HN -0.044 nan 8.280 nan 0.000 0.569 643 L N 0.819 121.851 121.223 -0.319 0.000 2.515 643 L HA 0.094 4.450 4.340 0.026 0.000 0.223 643 L C 0.622 177.039 176.870 -0.755 0.000 1.079 643 L CA 0.512 54.912 54.840 -0.733 0.000 0.857 643 L CB 0.090 41.332 42.059 -1.363 0.000 1.050 643 L HN 0.652 nan 8.230 nan 0.000 0.476 644 F N -0.421 119.536 119.950 0.012 0.000 2.699 644 F HA 0.211 4.752 4.527 0.025 0.000 0.295 644 F C 1.282 177.067 175.800 -0.026 0.000 1.052 644 F CA -0.790 57.196 58.000 -0.024 0.000 1.239 644 F CB 0.375 39.345 39.000 -0.049 0.000 1.018 644 F HN -0.141 nan 8.300 nan 0.000 0.627 645 R N 0.407 120.957 120.500 0.083 0.000 2.536 645 R HA 0.381 4.736 4.340 0.026 0.000 0.279 645 R C -0.587 175.708 176.300 -0.009 0.000 1.001 645 R CA -0.576 55.526 56.100 0.004 0.000 1.027 645 R CB 0.719 30.922 30.300 -0.162 0.000 1.096 645 R HN 0.099 nan 8.270 nan 0.000 0.502 646 H N 0.441 119.509 119.070 -0.003 0.000 2.508 646 H HA 0.048 4.620 4.556 0.027 0.000 0.358 646 H C 0.171 175.528 175.328 0.049 0.000 1.212 646 H CA 0.213 56.288 56.048 0.045 0.000 1.356 646 H CB 1.682 31.473 29.762 0.049 0.000 1.525 646 H HN 0.778 nan 8.280 nan 0.000 0.578 647 S N 1.061 116.905 115.700 0.240 0.000 4.175 647 S HA -0.064 4.421 4.470 0.026 0.000 0.193 647 S C 0.333 175.037 174.600 0.172 0.000 1.373 647 S CA -0.580 57.776 58.200 0.260 0.000 0.908 647 S CB -0.849 62.561 63.200 0.351 0.000 1.547 647 S HN 0.577 nan 8.310 nan 0.000 0.440 648 D N 0.778 121.252 120.400 0.124 0.000 2.370 648 D HA 0.070 4.726 4.640 0.026 0.000 0.230 648 D C 0.278 176.616 176.300 0.063 0.000 1.143 648 D CA -0.303 53.748 54.000 0.086 0.000 0.834 648 D CB -0.383 40.456 40.800 0.065 0.000 0.944 648 D HN 0.490 nan 8.370 nan 0.000 0.504 649 N N 0.059 118.805 118.700 0.078 0.000 2.620 649 N HA 0.146 4.902 4.740 0.026 0.000 0.277 649 N C -1.582 173.981 175.510 0.088 0.000 1.726 649 N CA -0.171 52.919 53.050 0.066 0.000 0.840 649 N CB 0.307 38.823 38.487 0.047 0.000 1.379 649 N HN -0.034 nan 8.380 nan 0.000 0.506 650 E N -0.256 119.991 120.200 0.079 0.000 2.363 650 E HA 0.561 4.927 4.350 0.026 0.000 0.281 650 E C -1.560 175.068 176.600 0.047 0.000 0.953 650 E CA -0.714 55.720 56.400 0.057 0.000 0.778 650 E CB 1.893 31.599 29.700 0.011 0.000 1.220 650 E HN 0.242 nan 8.360 nan 0.000 0.431 651 L N -0.402 120.852 121.223 0.053 0.000 2.393 651 L HA 0.739 5.094 4.340 0.026 0.000 0.260 651 L C -1.532 175.412 176.870 0.124 0.000 1.002 651 L CA -1.024 53.878 54.840 0.102 0.000 0.818 651 L CB 1.029 43.178 42.059 0.150 0.000 1.369 651 L HN 0.499 nan 8.230 nan 0.000 0.412 652 L N 2.132 123.465 121.223 0.184 0.000 2.272 652 L HA 0.619 4.975 4.340 0.026 0.000 0.289 652 L C -0.893 176.199 176.870 0.370 0.000 1.032 652 L CA 0.152 55.134 54.840 0.237 0.000 0.810 652 L CB 0.407 42.612 42.059 0.243 0.000 1.205 652 L HN 0.597 nan 8.230 nan 0.000 0.422 653 H N 5.105 124.253 119.070 0.131 0.000 2.467 653 H HA 0.496 5.068 4.556 0.026 0.000 0.326 653 H C -0.973 174.441 175.328 0.143 0.000 1.094 653 H CA -0.655 55.428 56.048 0.058 0.000 1.253 653 H CB 0.713 30.463 29.762 -0.020 0.000 1.439 653 H HN 0.602 nan 8.280 nan 0.000 0.479 654 W N 3.595 124.983 121.300 0.147 0.000 2.844 654 W HA 0.596 5.272 4.660 0.026 0.000 0.340 654 W C -1.527 175.040 176.519 0.081 0.000 1.093 654 W CA -1.391 56.020 57.345 0.111 0.000 1.212 654 W CB 1.381 30.891 29.460 0.083 0.000 1.422 654 W HN 0.557 nan 8.180 nan 0.000 0.515 655 M N 3.200 122.980 119.600 0.300 0.000 2.371 655 M HA 0.625 5.120 4.480 0.026 0.000 0.287 655 M C -2.591 173.895 176.300 0.310 0.000 1.149 655 M CA -0.701 54.667 55.300 0.114 0.000 0.929 655 M CB 1.881 34.472 32.600 -0.016 0.000 1.683 655 M HN 0.168 nan 8.290 nan 0.000 0.470 656 V N 3.837 123.928 119.914 0.295 0.000 2.495 656 V HA 1.023 5.158 4.120 0.026 0.000 0.298 656 V C -0.316 175.885 176.094 0.180 0.000 1.031 656 V CA -0.124 62.346 62.300 0.285 0.000 0.871 656 V CB 1.161 33.175 31.823 0.319 0.000 0.988 656 V HN 1.133 nan 8.190 nan 0.000 0.432 657 A N 4.387 127.322 122.820 0.191 0.000 2.498 657 A HA 0.907 5.243 4.320 0.026 0.000 0.298 657 A C -1.467 176.229 177.584 0.187 0.000 1.075 657 A CA -0.641 51.475 52.037 0.130 0.000 0.714 657 A CB 1.778 20.811 19.000 0.055 0.000 1.299 657 A HN 0.878 nan 8.150 nan 0.000 0.407 658 L N 1.265 122.568 121.223 0.134 0.000 2.280 658 L HA 0.540 4.896 4.340 0.026 0.000 0.287 658 L C -0.570 176.391 176.870 0.152 0.000 1.023 658 L CA 0.196 55.127 54.840 0.152 0.000 0.819 658 L CB 0.430 42.548 42.059 0.099 0.000 1.212 658 L HN 0.751 nan 8.230 nan 0.000 0.420 659 D N 4.639 125.194 120.400 0.257 0.000 2.702 659 D HA -0.222 4.434 4.640 0.026 0.000 0.233 659 D C 1.178 177.514 176.300 0.061 0.000 1.164 659 D CA 1.492 55.633 54.000 0.235 0.000 0.638 659 D CB -1.147 39.766 40.800 0.187 0.000 1.041 659 D HN 1.210 nan 8.370 nan 0.000 0.422 660 G N -0.846 107.953 108.800 -0.002 0.000 2.225 660 G HA2 -0.371 3.605 3.960 0.026 0.000 0.254 660 G HA3 -0.371 3.605 3.960 0.026 0.000 0.254 660 G C 0.276 175.093 174.900 -0.138 0.000 0.988 660 G CA 0.468 45.453 45.100 -0.192 0.000 0.625 660 G HN 0.482 nan 8.290 nan 0.000 0.527 661 K N 1.991 122.361 120.400 -0.050 0.000 2.284 661 K HA 0.427 4.763 4.320 0.026 0.000 0.287 661 K C -2.606 173.983 176.600 -0.019 0.000 1.081 661 K CA -1.752 54.511 56.287 -0.040 0.000 0.910 661 K CB 1.405 33.901 32.500 -0.007 0.000 1.088 661 K HN 0.085 nan 8.250 nan 0.000 0.478 662 P HA -0.026 nan 4.420 nan 0.000 0.266 662 P C 0.131 177.428 177.300 -0.005 0.000 1.215 662 P CA -0.016 63.066 63.100 -0.031 0.000 0.763 662 P CB 0.663 32.323 31.700 -0.067 0.000 0.806 663 L N 1.950 123.189 121.223 0.027 0.000 2.388 663 L HA 0.441 4.797 4.340 0.026 0.000 0.209 663 L C 0.782 177.680 176.870 0.048 0.000 1.061 663 L CA 0.761 55.628 54.840 0.045 0.000 0.834 663 L CB 0.078 42.186 42.059 0.080 0.000 1.029 663 L HN 0.430 nan 8.230 nan 0.000 0.473 664 A N -0.973 121.877 122.820 0.050 0.000 2.567 664 A HA 0.575 4.911 4.320 0.026 0.000 0.291 664 A C -0.985 176.485 177.584 -0.191 0.000 1.048 664 A CA 0.140 52.187 52.037 0.018 0.000 0.661 664 A CB 1.305 20.444 19.000 0.230 0.000 1.288 664 A HN 0.116 nan 8.150 nan 0.000 0.424 665 S N -0.820 114.522 115.700 -0.596 0.000 2.587 665 S HA 0.950 5.436 4.470 0.026 0.000 0.269 665 S C -0.258 173.382 174.600 -1.599 0.000 1.154 665 S CA -0.097 57.289 58.200 -1.356 0.000 0.824 665 S CB 1.094 63.878 63.200 -0.693 0.000 1.118 665 S HN 2.578 nan 8.310 nan 0.000 0.462 666 G N -0.335 107.166 108.800 -2.165 0.000 2.645 666 G HA2 0.656 4.632 3.960 0.026 0.000 0.292 666 G HA3 0.656 4.632 3.960 0.026 0.000 0.292 666 G C -2.160 172.368 174.900 -0.620 0.000 1.415 666 G CA -0.680 43.855 45.100 -0.941 0.000 0.785 666 G HN 0.766 nan 8.290 nan 0.000 0.483 667 E N -1.167 118.963 120.200 -0.117 0.000 2.293 667 E HA 0.633 4.999 4.350 0.026 0.000 0.270 667 E C -1.453 175.253 176.600 0.177 0.000 0.879 667 E CA -0.697 55.700 56.400 -0.004 0.000 0.756 667 E CB 3.106 32.717 29.700 -0.148 0.000 1.208 667 E HN 0.277 nan 8.360 nan 0.000 0.428 668 V N 3.435 123.479 119.914 0.217 0.000 2.808 668 V HA 0.341 4.477 4.120 0.026 0.000 0.308 668 V C -2.495 173.687 176.094 0.146 0.000 1.099 668 V CA -1.916 60.491 62.300 0.178 0.000 0.920 668 V CB 2.081 34.027 31.823 0.205 0.000 1.014 668 V HN 0.591 nan 8.190 nan 0.000 0.425 669 P HA 0.292 nan 4.420 nan 0.000 0.271 669 P C -0.900 176.456 177.300 0.093 0.000 1.216 669 P CA 0.022 63.179 63.100 0.096 0.000 0.776 669 P CB 0.549 32.296 31.700 0.078 0.000 0.881 670 L N 3.116 124.387 121.223 0.080 0.000 2.307 670 L HA 0.404 4.760 4.340 0.026 0.000 0.284 670 L C 0.284 177.215 176.870 0.100 0.000 1.023 670 L CA -0.155 54.729 54.840 0.073 0.000 0.810 670 L CB 1.278 43.337 42.059 0.000 0.000 1.231 670 L HN 0.279 nan 8.230 nan 0.000 0.423 671 D N 3.404 123.877 120.400 0.122 0.000 2.405 671 D HA 0.341 4.997 4.640 0.026 0.000 0.264 671 D C -1.312 175.105 176.300 0.194 0.000 1.240 671 D CA -0.135 53.962 54.000 0.161 0.000 0.893 671 D CB 1.277 42.153 40.800 0.127 0.000 1.198 671 D HN 0.058 nan 8.370 nan 0.000 0.514 672 V N 1.737 121.778 119.914 0.212 0.000 2.487 672 V HA 0.799 4.935 4.120 0.026 0.000 0.298 672 V C 0.784 176.851 176.094 -0.044 0.000 1.028 672 V CA -1.160 61.228 62.300 0.148 0.000 0.860 672 V CB 1.271 33.228 31.823 0.224 0.000 0.991 672 V HN 0.552 nan 8.190 nan 0.000 0.427 673 A N 6.864 129.542 122.820 -0.237 0.000 2.313 673 A HA 0.732 5.068 4.320 0.026 0.000 0.261 673 A C -2.317 175.055 177.584 -0.353 0.000 1.090 673 A CA -1.519 50.019 52.037 -0.831 0.000 0.807 673 A CB -0.085 18.603 19.000 -0.520 0.000 1.055 673 A HN 0.669 nan 8.150 nan 0.000 0.492 674 P HA 0.034 nan 4.420 nan 0.000 0.263 674 P C -0.495 176.732 177.300 -0.121 0.000 1.195 674 P CA 0.646 63.664 63.100 -0.137 0.000 0.762 674 P CB 0.718 32.347 31.700 -0.119 0.000 0.799 675 Q N -0.899 118.840 119.800 -0.100 0.000 2.324 675 Q HA -0.149 4.207 4.340 0.026 0.000 0.200 675 Q C 0.779 176.745 176.000 -0.056 0.000 0.645 675 Q CA 1.844 57.594 55.803 -0.088 0.000 1.377 675 Q CB -2.540 26.144 28.738 -0.090 0.000 1.486 675 Q HN 0.740 nan 8.270 nan 0.000 0.796 676 G N 0.328 109.099 108.800 -0.048 0.000 2.543 676 G HA2 0.535 4.510 3.960 0.026 0.000 0.290 676 G HA3 0.535 4.510 3.960 0.026 0.000 0.290 676 G C -0.187 174.722 174.900 0.017 0.000 1.310 676 G CA -0.491 44.600 45.100 -0.015 0.000 1.025 676 G HN -0.015 nan 8.290 nan 0.000 0.502 677 K N -0.778 119.642 120.400 0.032 0.000 2.340 677 K HA 0.487 4.823 4.320 0.026 0.000 0.244 677 K C -0.900 175.740 176.600 0.066 0.000 0.973 677 K CA -0.614 55.703 56.287 0.049 0.000 0.828 677 K CB 2.489 35.011 32.500 0.037 0.000 1.226 677 K HN 0.545 nan 8.250 nan 0.000 0.437 678 Q N 2.110 121.957 119.800 0.078 0.000 2.331 678 Q HA 0.430 4.786 4.340 0.026 0.000 0.272 678 Q C -1.729 174.313 176.000 0.071 0.000 1.062 678 Q CA -0.671 55.180 55.803 0.080 0.000 0.806 678 Q CB 1.582 30.379 28.738 0.099 0.000 1.312 678 Q HN 0.509 nan 8.270 nan 0.000 0.431 679 L N 4.688 125.942 121.223 0.052 0.000 2.307 679 L HA 0.593 4.948 4.340 0.026 0.000 0.284 679 L C -0.693 176.191 176.870 0.024 0.000 1.023 679 L CA -0.742 54.118 54.840 0.033 0.000 0.810 679 L CB 1.533 43.601 42.059 0.015 0.000 1.231 679 L HN 0.621 nan 8.230 nan 0.000 0.423 680 I N 2.790 123.364 120.570 0.008 0.000 2.466 680 I HA 0.270 4.456 4.170 0.026 0.000 0.289 680 I C -0.209 175.863 176.117 -0.075 0.000 1.026 680 I CA -0.394 60.899 61.300 -0.012 0.000 1.078 680 I CB 2.292 40.299 38.000 0.011 0.000 1.249 680 I HN 0.548 nan 8.210 nan 0.000 0.429 681 E N 6.635 126.786 120.200 -0.082 0.000 2.156 681 E HA 0.454 4.819 4.350 0.026 0.000 0.279 681 E C -1.042 175.436 176.600 -0.203 0.000 0.965 681 E CA -0.692 55.632 56.400 -0.127 0.000 0.789 681 E CB 1.533 31.181 29.700 -0.085 0.000 1.098 681 E HN 0.444 nan 8.360 nan 0.000 0.397 682 L N 4.835 125.880 121.223 -0.296 0.000 2.418 682 L HA 0.323 4.678 4.340 0.026 0.000 0.265 682 L C -1.947 174.753 176.870 -0.284 0.000 1.143 682 L CA -1.984 52.589 54.840 -0.446 0.000 0.809 682 L CB -0.047 41.608 42.059 -0.675 0.000 1.124 682 L HN 0.308 nan 8.230 nan 0.000 0.456 683 P HA -0.045 nan 4.420 nan 0.000 0.268 683 P C -0.542 176.698 177.300 -0.100 0.000 1.208 683 P CA -0.264 62.772 63.100 -0.107 0.000 0.777 683 P CB 0.350 32.052 31.700 0.003 0.000 0.875 684 E N 2.518 122.690 120.200 -0.048 0.000 2.415 684 E HA 0.007 4.373 4.350 0.026 0.000 0.263 684 E C -1.114 175.478 176.600 -0.013 0.000 0.995 684 E CA 0.016 56.393 56.400 -0.037 0.000 0.915 684 E CB 0.053 29.741 29.700 -0.020 0.000 0.951 684 E HN 0.264 nan 8.360 nan 0.000 0.449 685 L N 6.694 127.906 121.223 -0.018 0.000 2.287 685 L HA 0.409 4.764 4.340 0.026 0.000 0.287 685 L C -1.871 175.010 176.870 0.018 0.000 1.022 685 L CA -2.104 52.746 54.840 0.016 0.000 0.814 685 L CB 1.070 43.147 42.059 0.029 0.000 1.217 685 L HN 0.519 nan 8.230 nan 0.000 0.420 686 P HA 0.015 nan 4.420 nan 0.000 0.269 686 P C -0.793 176.523 177.300 0.025 0.000 1.217 686 P CA -0.436 62.680 63.100 0.026 0.000 0.783 686 P CB 0.607 32.327 31.700 0.034 0.000 0.898 687 Q N 2.054 121.866 119.800 0.019 0.000 2.332 687 Q HA 0.254 4.610 4.340 0.026 0.000 0.263 687 Q C -1.851 174.163 176.000 0.024 0.000 0.979 687 Q CA -1.114 54.700 55.803 0.018 0.000 0.885 687 Q CB -0.481 28.264 28.738 0.012 0.000 1.218 687 Q HN 0.352 nan 8.270 nan 0.000 0.405 688 P HA -0.007 nan 4.420 nan 0.000 0.268 688 P C -0.279 177.038 177.300 0.027 0.000 1.205 688 P CA 0.055 63.175 63.100 0.033 0.000 0.771 688 P CB 0.789 32.511 31.700 0.038 0.000 0.858 689 E N 0.436 120.653 120.200 0.027 0.000 2.118 689 E HA -0.100 4.266 4.350 0.026 0.000 0.195 689 E C 0.835 177.450 176.600 0.025 0.000 0.992 689 E CA 1.327 57.741 56.400 0.024 0.000 0.804 689 E CB -0.011 29.702 29.700 0.021 0.000 0.741 689 E HN 0.665 nan 8.360 nan 0.000 0.458 690 S N -0.790 114.928 115.700 0.030 0.000 2.794 690 S HA 0.661 5.147 4.470 0.026 0.000 0.299 690 S C -0.416 174.206 174.600 0.036 0.000 1.179 690 S CA -0.601 57.618 58.200 0.031 0.000 0.838 690 S CB 1.606 64.826 63.200 0.033 0.000 1.206 690 S HN 0.148 nan 8.310 nan 0.000 0.523 691 A N -0.220 122.622 122.820 0.037 0.000 2.429 691 A HA 0.744 5.080 4.320 0.026 0.000 0.242 691 A C 1.000 178.615 177.584 0.053 0.000 1.088 691 A CA 0.463 52.524 52.037 0.040 0.000 0.784 691 A CB -0.928 18.096 19.000 0.040 0.000 1.038 691 A HN 2.521 nan 8.150 nan 0.000 0.501 692 G N -0.934 107.898 108.800 0.053 0.000 2.347 692 G HA2 0.420 4.396 3.960 0.026 0.000 0.341 692 G HA3 0.420 4.396 3.960 0.026 0.000 0.341 692 G C -1.043 173.892 174.900 0.058 0.000 1.287 692 G CA -0.092 45.052 45.100 0.074 0.000 0.984 692 G HN 1.176 nan 8.290 nan 0.000 0.526 693 Q N -0.219 119.635 119.800 0.090 0.000 2.290 693 Q HA 0.730 5.086 4.340 0.026 0.000 0.259 693 Q C -0.258 175.798 176.000 0.093 0.000 0.941 693 Q CA -0.524 55.290 55.803 0.019 0.000 0.912 693 Q CB 1.207 29.920 28.738 -0.041 0.000 1.244 693 Q HN 0.576 nan 8.270 nan 0.000 0.441 694 L N 4.177 125.398 121.223 -0.003 0.000 2.326 694 L HA 0.482 4.838 4.340 0.026 0.000 0.278 694 L C -0.786 176.103 176.870 0.032 0.000 1.092 694 L CA -0.444 54.445 54.840 0.082 0.000 0.810 694 L CB 0.777 42.864 42.059 0.047 0.000 1.153 694 L HN 0.679 nan 8.230 nan 0.000 0.439 695 W N 4.080 125.446 121.300 0.111 0.000 2.785 695 W HA 0.499 5.175 4.660 0.026 0.000 0.333 695 W C -0.829 175.798 176.519 0.180 0.000 1.062 695 W CA -0.530 56.904 57.345 0.148 0.000 1.233 695 W CB 1.775 31.345 29.460 0.184 0.000 1.413 695 W HN 0.123 nan 8.180 nan 0.000 0.489 696 L N 3.484 124.988 121.223 0.468 0.000 2.296 696 L HA 0.755 5.111 4.340 0.026 0.000 0.286 696 L C -0.360 176.811 176.870 0.501 0.000 1.023 696 L CA 0.161 55.262 54.840 0.435 0.000 0.812 696 L CB 1.304 43.584 42.059 0.368 0.000 1.223 696 L HN 0.306 nan 8.230 nan 0.000 0.421 697 T N 5.172 119.966 114.554 0.400 0.000 2.824 697 T HA 0.669 5.035 4.350 0.026 0.000 0.282 697 T C -0.746 174.138 174.700 0.306 0.000 0.993 697 T CA -0.407 61.883 62.100 0.317 0.000 0.967 697 T CB 1.526 70.517 68.868 0.206 0.000 0.960 697 T HN 0.628 nan 8.240 nan 0.000 0.441 698 V N 1.676 121.740 119.914 0.250 0.000 2.769 698 V HA 0.862 4.997 4.120 0.026 0.000 0.312 698 V C -0.764 175.406 176.094 0.127 0.000 1.061 698 V CA -1.152 61.266 62.300 0.196 0.000 0.931 698 V CB 2.048 33.947 31.823 0.128 0.000 1.010 698 V HN 0.813 nan 8.190 nan 0.000 0.433 699 R N 2.036 122.626 120.500 0.149 0.000 2.621 699 R HA 0.749 5.105 4.340 0.026 0.000 0.284 699 R C -1.635 174.740 176.300 0.125 0.000 0.998 699 R CA -0.656 55.536 56.100 0.154 0.000 0.895 699 R CB 2.635 32.964 30.300 0.048 0.000 1.195 699 R HN 0.744 nan 8.270 nan 0.000 0.450 700 V N 4.234 124.261 119.914 0.189 0.000 2.406 700 V HA 0.330 4.466 4.120 0.026 0.000 0.272 700 V C -0.244 175.875 176.094 0.042 0.000 1.043 700 V CA -0.494 61.874 62.300 0.114 0.000 0.915 700 V CB 1.532 33.428 31.823 0.121 0.000 0.988 700 V HN 0.427 nan 8.190 nan 0.000 0.466 701 V N 5.453 125.335 119.914 -0.054 0.000 2.555 701 V HA 0.404 4.540 4.120 0.026 0.000 0.302 701 V C -0.196 175.901 176.094 0.005 0.000 1.038 701 V CA -0.779 61.463 62.300 -0.097 0.000 0.887 701 V CB 1.910 33.527 31.823 -0.344 0.000 0.991 701 V HN 0.886 nan 8.190 nan 0.000 0.434 702 Q N 5.797 125.632 119.800 0.058 0.000 2.360 702 Q HA 0.281 4.637 4.340 0.026 0.000 0.254 702 Q C -1.769 174.251 176.000 0.034 0.000 0.975 702 Q CA -1.779 54.069 55.803 0.075 0.000 0.912 702 Q CB 1.889 30.695 28.738 0.113 0.000 1.212 702 Q HN 0.479 nan 8.270 nan 0.000 0.452 703 P HA -0.129 nan 4.420 nan 0.000 0.222 703 P C -0.527 176.776 177.300 0.005 0.000 1.153 703 P CA 0.922 64.038 63.100 0.026 0.000 0.798 703 P CB 0.431 32.156 31.700 0.042 0.000 0.796 704 N N -0.407 118.288 118.700 -0.009 0.000 2.443 704 N HA 0.458 5.214 4.740 0.026 0.000 0.295 704 N C -0.364 175.097 175.510 -0.082 0.000 1.076 704 N CA -0.711 52.319 53.050 -0.034 0.000 0.919 704 N CB 1.169 39.639 38.487 -0.027 0.000 1.176 704 N HN -0.073 nan 8.380 nan 0.000 0.487 705 A N 0.841 123.605 122.820 -0.093 0.000 2.425 705 A HA 0.415 4.751 4.320 0.026 0.000 0.242 705 A C 0.594 178.058 177.584 -0.200 0.000 1.077 705 A CA -0.009 51.936 52.037 -0.153 0.000 0.781 705 A CB -0.029 18.907 19.000 -0.106 0.000 1.020 705 A HN 0.698 nan 8.150 nan 0.000 0.494 706 T N -2.460 111.887 114.554 -0.345 0.000 2.773 706 T HA 0.637 5.003 4.350 0.026 0.000 0.278 706 T C 1.060 175.602 174.700 -0.264 0.000 1.011 706 T CA 0.023 61.906 62.100 -0.362 0.000 1.014 706 T CB 1.140 69.552 68.868 -0.761 0.000 1.293 706 T HN 1.296 nan 8.240 nan 0.000 0.554 707 A N -0.038 122.720 122.820 -0.102 0.000 2.015 707 A HA 0.087 4.423 4.320 0.026 0.000 0.219 707 A C 1.722 179.420 177.584 0.190 0.000 1.163 707 A CA 1.133 53.215 52.037 0.075 0.000 0.646 707 A CB -0.876 18.226 19.000 0.170 0.000 0.806 707 A HN 0.924 nan 8.150 nan 0.000 0.448 708 W N -0.382 120.979 121.300 0.100 0.000 3.008 708 W HA 0.424 5.100 4.660 0.028 0.000 0.355 708 W C -0.260 176.217 176.519 -0.069 0.000 1.095 708 W CA 0.454 57.819 57.345 0.033 0.000 1.738 708 W CB -1.102 28.358 29.460 -0.000 0.000 1.091 708 W HN 0.383 nan 8.180 nan 0.000 0.574 709 S N -0.124 115.124 115.700 -0.754 0.000 2.607 709 S HA 0.420 4.905 4.470 0.026 0.000 0.273 709 S C -0.741 173.633 174.600 -0.377 0.000 1.148 709 S CA -0.818 56.988 58.200 -0.656 0.000 0.833 709 S CB 2.680 65.122 63.200 -1.263 0.000 1.130 709 S HN 0.078 nan 8.310 nan 0.000 0.470 710 E N 0.544 120.631 120.200 -0.188 0.000 2.318 710 E HA 0.532 4.898 4.350 0.026 0.000 0.265 710 E C 0.313 176.873 176.600 -0.066 0.000 1.069 710 E CA -0.612 55.734 56.400 -0.090 0.000 0.893 710 E CB 1.361 31.052 29.700 -0.015 0.000 1.076 710 E HN 0.859 nan 8.360 nan 0.000 0.414 711 A N 0.496 123.288 122.820 -0.048 0.000 2.531 711 A HA 0.364 4.700 4.320 0.026 0.000 0.236 711 A C 1.178 178.767 177.584 0.007 0.000 1.062 711 A CA 0.894 52.916 52.037 -0.025 0.000 0.760 711 A CB -0.323 18.667 19.000 -0.016 0.000 0.995 711 A HN 0.795 nan 8.150 nan 0.000 0.501 712 G N 0.311 109.122 108.800 0.017 0.000 2.195 712 G HA2 -0.250 3.726 3.960 0.026 0.000 0.246 712 G HA3 -0.250 3.726 3.960 0.026 0.000 0.246 712 G C 0.299 175.211 174.900 0.020 0.000 0.984 712 G CA 0.713 45.819 45.100 0.012 0.000 0.633 712 G HN 1.796 nan 8.290 nan 0.000 0.525 713 H N 0.847 119.899 119.070 -0.030 0.000 3.064 713 H HA 0.416 4.987 4.556 0.026 0.000 0.329 713 H C 0.647 176.007 175.328 0.054 0.000 1.020 713 H CA 0.523 56.577 56.048 0.009 0.000 1.402 713 H CB 0.137 29.884 29.762 -0.026 0.000 1.379 713 H HN 0.320 nan 8.280 nan 0.000 0.594 714 I N 4.556 124.811 120.570 -0.524 0.000 2.315 714 I HA 0.051 4.237 4.170 0.026 0.000 0.291 714 I C 0.814 176.759 176.117 -0.287 0.000 1.006 714 I CA 0.028 61.162 61.300 -0.277 0.000 1.265 714 I CB 1.512 39.413 38.000 -0.165 0.000 1.387 714 I HN 0.788 nan 8.210 nan 0.000 0.475 715 S N 4.181 119.933 115.700 0.088 0.000 2.523 715 S HA 0.602 5.088 4.470 0.026 0.000 0.217 715 S C 0.364 175.238 174.600 0.456 0.000 0.996 715 S CA -0.078 58.332 58.200 0.351 0.000 0.921 715 S CB 0.575 64.102 63.200 0.545 0.000 0.829 715 S HN 0.703 nan 8.310 nan 0.000 0.495 716 A N 0.575 123.693 122.820 0.496 0.000 2.599 716 A HA 0.648 4.984 4.320 0.026 0.000 0.294 716 A C -1.765 176.195 177.584 0.627 0.000 1.055 716 A CA -0.905 51.427 52.037 0.492 0.000 0.683 716 A CB 0.322 19.656 19.000 0.556 0.000 1.278 716 A HN 0.936 nan 8.150 nan 0.000 0.412 717 W N 0.072 121.541 121.300 0.282 0.000 3.066 717 W HA 0.818 5.495 4.660 0.027 0.000 0.330 717 W C -1.145 175.400 176.519 0.043 0.000 1.253 717 W CA -0.641 56.752 57.345 0.079 0.000 1.187 717 W CB 1.208 30.675 29.460 0.011 0.000 1.434 717 W HN 1.025 nan 8.180 nan 0.000 0.572 718 Q N 0.950 120.773 119.800 0.038 0.000 2.578 718 Q HA 0.450 4.806 4.340 0.026 0.000 0.284 718 Q C -1.662 174.160 176.000 -0.296 0.000 0.960 718 Q CA -0.479 55.182 55.803 -0.236 0.000 0.809 718 Q CB 2.388 30.791 28.738 -0.558 0.000 1.462 718 Q HN 0.637 nan 8.270 nan 0.000 0.392 719 Q N 1.013 120.563 119.800 -0.417 0.000 2.456 719 Q HA 0.663 5.019 4.340 0.026 0.000 0.283 719 Q C -1.218 174.652 176.000 -0.215 0.000 1.084 719 Q CA -0.714 55.044 55.803 -0.074 0.000 0.801 719 Q CB 2.430 31.338 28.738 0.284 0.000 1.434 719 Q HN 0.608 nan 8.270 nan 0.000 0.419 720 W N 0.709 122.165 121.300 0.259 0.000 3.107 720 W HA 0.449 5.125 4.660 0.026 0.000 0.331 720 W C -0.461 176.003 176.519 -0.092 0.000 1.204 720 W CA -0.696 56.710 57.345 0.103 0.000 1.184 720 W CB 1.696 31.180 29.460 0.040 0.000 1.421 720 W HN 0.421 nan 8.180 nan 0.000 0.544 721 R N 1.602 121.998 120.500 -0.172 0.000 2.390 721 R HA 0.416 4.772 4.340 0.026 0.000 0.291 721 R C 0.605 176.778 176.300 -0.211 0.000 1.070 721 R CA -0.156 55.596 56.100 -0.580 0.000 1.014 721 R CB 1.141 31.032 30.300 -0.682 0.000 1.007 721 R HN 0.277 nan 8.270 nan 0.000 0.466 722 L N 1.220 122.327 121.223 -0.193 0.000 2.718 722 L HA 0.499 4.855 4.340 0.026 0.000 0.166 722 L C 0.639 177.438 176.870 -0.118 0.000 1.893 722 L CA -0.834 53.947 54.840 -0.099 0.000 2.845 722 L CB -0.037 42.003 42.059 -0.032 0.000 2.993 722 L HN 0.617 nan 8.230 nan 0.000 0.684 723 A N 0.250 123.024 122.820 -0.077 0.000 2.351 723 A HA 0.281 4.617 4.320 0.026 0.000 0.257 723 A C -0.390 177.150 177.584 -0.074 0.000 1.087 723 A CA 0.031 52.028 52.037 -0.067 0.000 0.798 723 A CB 0.439 19.416 19.000 -0.039 0.000 1.033 723 A HN 0.603 nan 8.150 nan 0.000 0.488 724 E N 0.881 121.042 120.200 -0.066 0.000 2.222 724 E HA 0.333 4.699 4.350 0.026 0.000 0.267 724 E C -1.427 175.160 176.600 -0.022 0.000 0.884 724 E CA -0.702 55.667 56.400 -0.052 0.000 0.764 724 E CB 0.930 30.588 29.700 -0.070 0.000 1.169 724 E HN 0.670 nan 8.360 nan 0.000 0.413 725 N N 4.998 123.696 118.700 -0.002 0.000 2.564 725 N HA 0.266 5.021 4.740 0.026 0.000 0.248 725 N C -0.598 174.921 175.510 0.015 0.000 0.986 725 N CA -0.337 52.717 53.050 0.006 0.000 0.921 725 N CB 1.149 39.643 38.487 0.012 0.000 1.136 725 N HN 0.471 nan 8.380 nan 0.000 0.509 726 L N 0.604 121.835 121.223 0.014 0.000 2.461 726 L HA 0.124 4.480 4.340 0.026 0.000 0.272 726 L C 1.301 178.188 176.870 0.028 0.000 1.197 726 L CA 0.134 54.988 54.840 0.023 0.000 0.836 726 L CB 0.447 42.518 42.059 0.021 0.000 1.105 726 L HN 0.335 nan 8.230 nan 0.000 0.477 727 S N 0.965 116.687 115.700 0.036 0.000 2.499 727 S HA 0.304 4.790 4.470 0.026 0.000 0.275 727 S C 0.481 175.101 174.600 0.033 0.000 1.257 727 S CA -0.793 57.429 58.200 0.036 0.000 1.050 727 S CB 0.806 64.033 63.200 0.045 0.000 0.937 727 S HN 0.460 nan 8.310 nan 0.000 0.490 728 V N 2.125 122.056 119.914 0.028 0.000 3.346 728 V HA 0.348 4.484 4.120 0.026 0.000 0.309 728 V C 0.348 176.456 176.094 0.024 0.000 1.457 728 V CA -0.234 62.081 62.300 0.025 0.000 1.069 728 V CB -0.444 31.392 31.823 0.020 0.000 0.944 728 V HN 0.776 nan 8.190 nan 0.000 0.449 729 T N 2.758 117.327 114.554 0.026 0.000 2.749 729 T HA 0.680 5.046 4.350 0.026 0.000 0.295 729 T C 0.023 174.739 174.700 0.026 0.000 0.936 729 T CA -0.463 61.652 62.100 0.025 0.000 1.060 729 T CB 1.202 70.085 68.868 0.025 0.000 0.904 729 T HN 0.455 nan 8.240 nan 0.000 0.500 730 L N 2.614 123.850 121.223 0.022 0.000 2.453 730 L HA 0.419 4.775 4.340 0.026 0.000 0.272 730 L C -2.119 174.763 176.870 0.021 0.000 1.182 730 L CA -1.896 52.957 54.840 0.021 0.000 0.858 730 L CB -0.990 41.079 42.059 0.018 0.000 1.120 730 L HN 0.350 nan 8.230 nan 0.000 0.474 731 P HA 0.268 nan 4.420 nan 0.000 0.281 731 P C -0.443 176.862 177.300 0.008 0.000 1.252 731 P CA -0.362 62.747 63.100 0.015 0.000 0.778 731 P CB 1.264 32.973 31.700 0.014 0.000 0.895 732 A N 3.236 126.061 122.820 0.008 0.000 2.537 732 A HA 0.379 4.715 4.320 0.026 0.000 0.260 732 A C 0.781 178.349 177.584 -0.027 0.000 1.082 732 A CA -0.024 52.017 52.037 0.007 0.000 0.765 732 A CB -0.645 18.370 19.000 0.026 0.000 1.019 732 A HN 0.655 nan 8.150 nan 0.000 0.507 733 A N 4.210 127.019 122.820 -0.018 0.000 2.492 733 A HA 0.471 4.806 4.320 0.026 0.000 0.254 733 A C 0.999 178.522 177.584 -0.102 0.000 1.091 733 A CA 0.111 52.125 52.037 -0.038 0.000 0.768 733 A CB -0.399 18.596 19.000 -0.009 0.000 1.028 733 A HN 1.375 nan 8.150 nan 0.000 0.498 734 S N 1.950 117.567 115.700 -0.139 0.000 2.571 734 S HA -0.046 4.440 4.470 0.026 0.000 0.298 734 S C 0.463 174.965 174.600 -0.164 0.000 1.280 734 S CA 0.852 58.919 58.200 -0.223 0.000 1.052 734 S CB -0.159 62.977 63.200 -0.108 0.000 0.799 734 S HN 0.815 nan 8.310 nan 0.000 0.501 735 H N -0.139 118.945 119.070 0.023 0.000 2.539 735 H HA 0.562 5.133 4.556 0.026 0.000 0.269 735 H C 0.520 175.861 175.328 0.022 0.000 0.980 735 H CA 0.381 56.441 56.048 0.020 0.000 1.152 735 H CB 0.167 29.939 29.762 0.018 0.000 1.407 735 H HN 0.675 nan 8.280 nan 0.000 0.564 736 A N 1.206 124.062 122.820 0.060 0.000 2.498 736 A HA 0.595 4.930 4.320 0.026 0.000 0.298 736 A C -1.304 176.301 177.584 0.035 0.000 1.075 736 A CA -0.843 51.228 52.037 0.057 0.000 0.714 736 A CB 1.373 20.414 19.000 0.069 0.000 1.299 736 A HN 0.254 nan 8.150 nan 0.000 0.407 737 I N 1.189 121.786 120.570 0.045 0.000 2.465 737 I HA 0.737 4.923 4.170 0.026 0.000 0.291 737 I C -2.606 173.546 176.117 0.059 0.000 1.014 737 I CA -2.148 59.174 61.300 0.036 0.000 1.093 737 I CB 2.151 40.167 38.000 0.028 0.000 1.267 737 I HN 0.395 nan 8.210 nan 0.000 0.431 738 P HA 0.135 nan 4.420 nan 0.000 0.272 738 P C -1.352 176.011 177.300 0.105 0.000 1.223 738 P CA 0.130 63.276 63.100 0.076 0.000 0.784 738 P CB 0.394 32.098 31.700 0.006 0.000 0.923 739 H N 2.195 121.293 119.070 0.048 0.000 2.476 739 H HA 0.376 4.948 4.556 0.026 0.000 0.328 739 H C -1.083 174.275 175.328 0.050 0.000 1.073 739 H CA -0.893 55.177 56.048 0.037 0.000 1.229 739 H CB 1.288 31.072 29.762 0.036 0.000 1.432 739 H HN 0.228 nan 8.280 nan 0.000 0.477 740 L N 4.734 125.570 121.223 -0.646 0.000 2.307 740 L HA 0.328 4.684 4.340 0.026 0.000 0.282 740 L C -0.692 175.893 176.870 -0.474 0.000 1.051 740 L CA 0.009 54.605 54.840 -0.406 0.000 0.804 740 L CB 1.574 43.474 42.059 -0.265 0.000 1.197 740 L HN 0.569 nan 8.230 nan 0.000 0.431 741 T N 3.293 117.767 114.554 -0.135 0.000 2.809 741 T HA 0.451 4.816 4.350 0.026 0.000 0.284 741 T C -0.454 174.309 174.700 0.106 0.000 0.992 741 T CA -0.400 61.697 62.100 -0.005 0.000 0.957 741 T CB 1.101 70.017 68.868 0.081 0.000 0.942 741 T HN 0.681 nan 8.240 nan 0.000 0.439 742 T N 3.222 117.849 114.554 0.122 0.000 2.795 742 T HA 0.666 5.032 4.350 0.026 0.000 0.282 742 T C 0.151 174.908 174.700 0.096 0.000 0.980 742 T CA -0.695 61.530 62.100 0.208 0.000 1.012 742 T CB 0.964 69.984 68.868 0.254 0.000 0.936 742 T HN 0.700 nan 8.240 nan 0.000 0.457 743 S N 1.920 117.639 115.700 0.032 0.000 2.661 743 S HA 0.479 4.965 4.470 0.026 0.000 0.285 743 S C 0.743 175.294 174.600 -0.082 0.000 1.138 743 S CA -0.895 57.299 58.200 -0.010 0.000 0.855 743 S CB 1.668 64.867 63.200 -0.002 0.000 1.136 743 S HN 0.429 nan 8.310 nan 0.000 0.484 744 E N 0.642 120.805 120.200 -0.061 0.000 2.070 744 E HA -0.110 4.256 4.350 0.026 0.000 0.197 744 E C 1.659 178.179 176.600 -0.133 0.000 1.004 744 E CA 1.592 57.940 56.400 -0.086 0.000 0.805 744 E CB -0.300 29.371 29.700 -0.049 0.000 0.744 744 E HN 0.623 nan 8.360 nan 0.000 0.451 745 M N 0.195 119.737 119.600 -0.097 0.000 2.349 745 M HA 0.055 4.551 4.480 0.026 0.000 0.266 745 M C 0.229 176.460 176.300 -0.116 0.000 1.076 745 M CA 0.892 56.140 55.300 -0.087 0.000 1.126 745 M CB -0.196 32.385 32.600 -0.032 0.000 1.392 745 M HN -0.114 nan 8.290 nan 0.000 0.440 746 D N -1.549 118.769 120.400 -0.138 0.000 2.599 746 D HA 0.371 5.027 4.640 0.026 0.000 0.252 746 D C -1.459 174.778 176.300 -0.105 0.000 1.232 746 D CA -0.418 53.519 54.000 -0.105 0.000 0.819 746 D CB 2.151 42.974 40.800 0.038 0.000 1.401 746 D HN -0.049 nan 8.370 nan 0.000 0.429 747 F N 1.015 121.032 119.950 0.113 0.000 2.402 747 F HA 0.376 4.919 4.527 0.026 0.000 0.355 747 F C 0.150 176.056 175.800 0.177 0.000 1.123 747 F CA -0.696 57.359 58.000 0.092 0.000 1.021 747 F CB 1.277 40.296 39.000 0.031 0.000 1.160 747 F HN 0.059 nan 8.300 nan 0.000 0.451 748 C N 4.392 123.872 119.300 0.300 0.000 2.493 748 C HA 0.741 5.217 4.460 0.026 0.000 0.326 748 C C -0.365 174.756 174.990 0.219 0.000 1.200 748 C CA -0.752 58.426 59.018 0.267 0.000 1.739 748 C CB 1.169 29.009 27.740 0.167 0.000 2.300 748 C HN 0.514 nan 8.230 nan 0.000 0.500 749 I N 2.579 123.333 120.570 0.307 0.000 2.465 749 I HA 0.439 4.625 4.170 0.026 0.000 0.291 749 I C -0.137 176.215 176.117 0.391 0.000 1.014 749 I CA -0.140 61.329 61.300 0.282 0.000 1.093 749 I CB 1.379 39.535 38.000 0.260 0.000 1.267 749 I HN 0.580 nan 8.210 nan 0.000 0.431 750 E N 5.714 126.091 120.200 0.295 0.000 2.222 750 E HA 0.690 5.056 4.350 0.026 0.000 0.267 750 E C -1.494 175.278 176.600 0.286 0.000 0.884 750 E CA -0.981 55.584 56.400 0.275 0.000 0.764 750 E CB 3.173 32.970 29.700 0.162 0.000 1.169 750 E HN 0.300 nan 8.360 nan 0.000 0.413 751 L N 1.751 123.153 121.223 0.298 0.000 2.541 751 L HA 0.392 4.747 4.340 0.026 0.000 0.266 751 L C 0.401 177.366 176.870 0.158 0.000 0.966 751 L CA 0.481 55.468 54.840 0.245 0.000 0.871 751 L CB 1.296 43.540 42.059 0.308 0.000 1.232 751 L HN 0.814 nan 8.230 nan 0.000 0.408 752 G N 4.429 113.287 108.800 0.097 0.000 2.665 752 G HA2 -0.454 3.522 3.960 0.026 0.000 0.326 752 G HA3 -0.454 3.522 3.960 0.026 0.000 0.326 752 G C 0.664 175.577 174.900 0.022 0.000 1.231 752 G CA 0.739 45.872 45.100 0.055 0.000 0.992 752 G HN 1.115 nan 8.290 nan 0.000 0.549 753 N N 1.602 120.305 118.700 0.005 0.000 2.398 753 N HA 0.099 4.854 4.740 0.026 0.000 0.188 753 N C 0.485 175.955 175.510 -0.067 0.000 1.122 753 N CA 0.914 53.947 53.050 -0.029 0.000 0.866 753 N CB 0.214 38.684 38.487 -0.029 0.000 0.970 753 N HN 0.721 nan 8.380 nan 0.000 0.462 754 K N 0.295 120.651 120.400 -0.073 0.000 2.208 754 K HA 0.464 4.799 4.320 0.026 0.000 0.247 754 K C -0.613 175.831 176.600 -0.260 0.000 0.953 754 K CA -0.765 55.368 56.287 -0.256 0.000 0.837 754 K CB 2.390 34.649 32.500 -0.401 0.000 1.131 754 K HN 0.020 nan 8.250 nan 0.000 0.431 755 R N 1.793 122.035 120.500 -0.430 0.000 2.584 755 R HA 0.317 4.673 4.340 0.026 0.000 0.276 755 R C -1.740 174.424 176.300 -0.225 0.000 1.046 755 R CA -0.594 55.419 56.100 -0.145 0.000 0.906 755 R CB 1.295 31.545 30.300 -0.083 0.000 1.215 755 R HN 0.615 nan 8.270 nan 0.000 0.449 756 W N 3.915 125.295 121.300 0.133 0.000 2.532 756 W HA 0.319 4.995 4.660 0.026 0.000 0.321 756 W C -0.664 175.896 176.519 0.069 0.000 1.037 756 W CA -0.685 56.679 57.345 0.032 0.000 1.220 756 W CB 2.134 31.607 29.460 0.021 0.000 1.361 756 W HN 0.521 nan 8.180 nan 0.000 0.468 757 Q N 2.938 122.829 119.800 0.152 0.000 2.333 757 Q HA 0.397 4.753 4.340 0.026 0.000 0.265 757 Q C -1.669 174.271 176.000 -0.100 0.000 0.989 757 Q CA -0.457 55.440 55.803 0.157 0.000 0.842 757 Q CB 1.031 29.947 28.738 0.297 0.000 1.262 757 Q HN 0.323 nan 8.270 nan 0.000 0.451 758 F N 3.124 123.154 119.950 0.132 0.000 2.388 758 F HA 0.292 4.835 4.527 0.026 0.000 0.358 758 F C 0.554 176.387 175.800 0.055 0.000 1.122 758 F CA -0.906 57.140 58.000 0.077 0.000 1.056 758 F CB 1.080 40.123 39.000 0.072 0.000 1.155 758 F HN 0.504 nan 8.300 nan 0.000 0.461 759 N N 3.444 122.252 118.700 0.179 0.000 2.475 759 N HA 0.085 4.841 4.740 0.026 0.000 0.267 759 N C 0.947 176.482 175.510 0.043 0.000 1.169 759 N CA 0.123 53.229 53.050 0.094 0.000 0.947 759 N CB 0.796 39.346 38.487 0.105 0.000 1.061 759 N HN 0.660 nan 8.380 nan 0.000 0.466 760 R N 2.294 122.746 120.500 -0.079 0.000 2.193 760 R HA -0.036 4.320 4.340 0.026 0.000 0.213 760 R C 0.957 177.203 176.300 -0.091 0.000 1.055 760 R CA 0.865 56.864 56.100 -0.168 0.000 0.995 760 R CB 0.232 30.312 30.300 -0.367 0.000 0.893 760 R HN 0.553 nan 8.270 nan 0.000 0.459 761 Q N -0.346 119.429 119.800 -0.042 0.000 2.302 761 Q HA -0.001 4.355 4.340 0.026 0.000 0.202 761 Q C 1.996 178.002 176.000 0.011 0.000 0.936 761 Q CA 1.477 57.267 55.803 -0.021 0.000 0.886 761 Q CB 0.406 29.143 28.738 -0.002 0.000 0.986 761 Q HN 0.288 nan 8.270 nan 0.000 0.487 762 S N -2.107 113.629 115.700 0.061 0.000 2.470 762 S HA 0.233 4.719 4.470 0.026 0.000 0.222 762 S C 1.538 176.143 174.600 0.009 0.000 1.024 762 S CA 0.452 58.732 58.200 0.133 0.000 0.931 762 S CB 0.255 63.644 63.200 0.315 0.000 0.791 762 S HN 0.391 nan 8.310 nan 0.000 0.513 763 G N 0.538 109.323 108.800 -0.025 0.000 2.136 763 G HA2 -0.213 3.763 3.960 0.026 0.000 0.242 763 G HA3 -0.213 3.763 3.960 0.026 0.000 0.242 763 G C -0.149 174.680 174.900 -0.118 0.000 0.989 763 G CA 0.246 45.293 45.100 -0.088 0.000 0.682 763 G HN 0.519 nan 8.290 nan 0.000 0.522 764 F N -1.368 118.761 119.950 0.298 0.000 2.556 764 F HA 0.665 5.208 4.527 0.026 0.000 0.327 764 F C 0.489 176.345 175.800 0.093 0.000 1.059 764 F CA -1.419 56.721 58.000 0.233 0.000 0.953 764 F CB 1.467 40.559 39.000 0.152 0.000 1.227 764 F HN 0.001 nan 8.300 nan 0.000 0.478 765 L N 2.104 123.420 121.223 0.155 0.000 2.515 765 L HA 0.153 4.509 4.340 0.026 0.000 0.281 765 L C 1.030 177.813 176.870 -0.145 0.000 1.131 765 L CA 0.450 55.064 54.840 -0.376 0.000 0.905 765 L CB 0.051 41.829 42.059 -0.468 0.000 1.246 765 L HN 0.708 nan 8.230 nan 0.000 0.463 766 S N 2.475 118.095 115.700 -0.133 0.000 2.503 766 S HA 0.208 4.694 4.470 0.026 0.000 0.217 766 S C 0.616 175.104 174.600 -0.186 0.000 0.999 766 S CA -0.000 58.153 58.200 -0.079 0.000 0.914 766 S CB 0.072 63.273 63.200 0.001 0.000 0.782 766 S HN 0.677 nan 8.310 nan 0.000 0.520 767 Q N -0.237 119.397 119.800 -0.276 0.000 2.578 767 Q HA 0.689 5.045 4.340 0.026 0.000 0.284 767 Q C -2.035 173.655 176.000 -0.515 0.000 0.960 767 Q CA -0.345 55.171 55.803 -0.478 0.000 0.809 767 Q CB 1.667 30.008 28.738 -0.662 0.000 1.462 767 Q HN 0.424 nan 8.270 nan 0.000 0.392 768 M N 1.375 120.567 119.600 -0.679 0.000 2.433 768 M HA 0.601 5.096 4.480 0.026 0.000 0.290 768 M C -1.479 174.495 176.300 -0.544 0.000 1.173 768 M CA -0.418 54.557 55.300 -0.542 0.000 0.905 768 M CB 2.280 34.499 32.600 -0.635 0.000 1.692 768 M HN 0.468 nan 8.290 nan 0.000 0.462 769 W N 3.062 124.127 121.300 -0.391 0.000 2.844 769 W HA 0.672 5.348 4.660 0.026 0.000 0.340 769 W C -1.311 175.019 176.519 -0.315 0.000 1.093 769 W CA -0.686 56.495 57.345 -0.275 0.000 1.212 769 W CB 1.756 31.093 29.460 -0.206 0.000 1.422 769 W HN 0.472 nan 8.180 nan 0.000 0.515 770 I N 2.719 123.286 120.570 -0.005 0.000 2.439 770 I HA 0.391 4.577 4.170 0.026 0.000 0.283 770 I C 0.808 176.918 176.117 -0.011 0.000 1.023 770 I CA 0.027 61.286 61.300 -0.068 0.000 1.100 770 I CB 1.189 39.121 38.000 -0.113 0.000 1.238 770 I HN 0.719 nan 8.210 nan 0.000 0.445 771 G N 6.110 114.898 108.800 -0.019 0.000 2.574 771 G HA2 -0.335 3.641 3.960 0.026 0.000 0.286 771 G HA3 -0.335 3.641 3.960 0.026 0.000 0.286 771 G C 0.382 175.299 174.900 0.028 0.000 1.212 771 G CA 0.604 45.698 45.100 -0.011 0.000 0.979 771 G HN 0.846 nan 8.290 nan 0.000 0.557 772 D N 0.787 121.210 120.400 0.038 0.000 2.358 772 D HA 0.160 4.816 4.640 0.026 0.000 0.224 772 D C 0.665 177.069 176.300 0.174 0.000 1.123 772 D CA 0.336 54.389 54.000 0.089 0.000 0.833 772 D CB 0.116 40.937 40.800 0.035 0.000 0.946 772 D HN 0.465 nan 8.370 nan 0.000 0.505 773 K N 1.187 121.662 120.400 0.125 0.000 2.234 773 K HA 0.214 4.550 4.320 0.026 0.000 0.277 773 K C -0.109 176.464 176.600 -0.045 0.000 1.038 773 K CA -0.571 55.746 56.287 0.050 0.000 0.888 773 K CB 1.366 33.858 32.500 -0.013 0.000 1.091 773 K HN -0.050 nan 8.250 nan 0.000 0.467 774 K N 2.351 122.635 120.400 -0.194 0.000 2.401 774 K HA -0.002 4.334 4.320 0.026 0.000 0.278 774 K C 0.991 177.389 176.600 -0.335 0.000 1.018 774 K CA 0.036 55.993 56.287 -0.549 0.000 0.981 774 K CB 0.782 32.988 32.500 -0.490 0.000 0.933 774 K HN 0.417 nan 8.250 nan 0.000 0.477 775 Q N 1.577 121.154 119.800 -0.370 0.000 2.378 775 Q HA 0.164 4.520 4.340 0.026 0.000 0.216 775 Q C 0.041 175.962 176.000 -0.132 0.000 0.892 775 Q CA 0.502 56.214 55.803 -0.151 0.000 0.931 775 Q CB 0.469 29.164 28.738 -0.071 0.000 1.086 775 Q HN 0.493 nan 8.270 nan 0.000 0.528 776 L N 0.649 121.722 121.223 -0.251 0.000 2.346 776 L HA 0.385 4.740 4.340 0.026 0.000 0.274 776 L C 0.971 177.707 176.870 -0.222 0.000 1.007 776 L CA -0.393 54.318 54.840 -0.214 0.000 0.818 776 L CB 1.623 43.550 42.059 -0.221 0.000 1.284 776 L HN -0.092 nan 8.230 nan 0.000 0.424 777 L N 0.614 121.705 121.223 -0.221 0.000 2.408 777 L HA 0.169 4.525 4.340 0.026 0.000 0.215 777 L C 0.684 177.440 176.870 -0.189 0.000 1.081 777 L CA 0.499 55.216 54.840 -0.205 0.000 0.840 777 L CB 0.286 42.213 42.059 -0.220 0.000 1.002 777 L HN 0.774 nan 8.230 nan 0.000 0.468 778 T N -3.265 111.152 114.554 -0.228 0.000 2.909 778 T HA 0.527 4.893 4.350 0.026 0.000 0.299 778 T C -2.881 171.744 174.700 -0.125 0.000 1.073 778 T CA -2.035 59.979 62.100 -0.144 0.000 0.999 778 T CB 2.260 71.065 68.868 -0.104 0.000 1.098 778 T HN -0.323 nan 8.240 nan 0.000 0.477 779 P HA 0.207 nan 4.420 nan 0.000 0.270 779 P C -0.501 176.763 177.300 -0.059 0.000 1.227 779 P CA -0.689 62.377 63.100 -0.057 0.000 0.788 779 P CB 0.289 31.981 31.700 -0.014 0.000 0.926 780 L N 3.210 124.439 121.223 0.010 0.000 2.325 780 L HA 0.239 4.594 4.340 0.026 0.000 0.284 780 L C 0.216 177.061 176.870 -0.042 0.000 1.089 780 L CA 0.630 55.516 54.840 0.077 0.000 0.836 780 L CB -0.726 41.485 42.059 0.254 0.000 1.184 780 L HN 0.288 nan 8.230 nan 0.000 0.444 781 R N 2.710 123.092 120.500 -0.196 0.000 2.837 781 R HA 0.447 4.803 4.340 0.026 0.000 0.271 781 R C -0.955 175.216 176.300 -0.214 0.000 0.993 781 R CA -1.046 54.769 56.100 -0.475 0.000 0.931 781 R CB 1.237 31.090 30.300 -0.745 0.000 1.206 781 R HN 0.535 nan 8.270 nan 0.000 0.474 782 D N 1.327 121.661 120.400 -0.109 0.000 2.423 782 D HA 0.011 4.666 4.640 0.026 0.000 0.238 782 D C -0.421 175.474 176.300 -0.675 0.000 1.142 782 D CA 0.648 54.440 54.000 -0.348 0.000 0.884 782 D CB 0.629 41.186 40.800 -0.406 0.000 1.199 782 D HN 0.206 nan 8.370 nan 0.000 0.438 783 Q N 1.427 120.642 119.800 -0.976 0.000 2.305 783 Q HA 0.356 4.712 4.340 0.026 0.000 0.271 783 Q C -1.312 173.973 176.000 -1.191 0.000 1.046 783 Q CA -0.613 54.668 55.803 -0.871 0.000 0.798 783 Q CB 0.836 29.297 28.738 -0.461 0.000 1.286 783 Q HN 0.581 nan 8.270 nan 0.000 0.435 784 F N 0.834 120.395 119.950 -0.649 0.000 2.781 784 F HA 0.207 4.750 4.527 0.026 0.000 0.322 784 F C 0.448 175.814 175.800 -0.723 0.000 1.108 784 F CA -0.272 57.237 58.000 -0.818 0.000 1.179 784 F CB 1.625 39.794 39.000 -1.384 0.000 1.072 784 F HN 0.455 nan 8.300 nan 0.000 0.545 785 T N -0.811 113.451 114.554 -0.487 0.000 2.916 785 T HA 0.776 5.141 4.350 0.026 0.000 0.292 785 T C -0.593 173.880 174.700 -0.379 0.000 1.064 785 T CA -0.955 60.798 62.100 -0.578 0.000 1.011 785 T CB 2.779 71.270 68.868 -0.627 0.000 1.152 785 T HN 0.259 nan 8.240 nan 0.000 0.510 786 R N -0.049 120.273 120.500 -0.296 0.000 2.771 786 R HA 0.766 5.122 4.340 0.026 0.000 0.274 786 R C -0.817 175.550 176.300 0.111 0.000 0.987 786 R CA -1.219 54.831 56.100 -0.084 0.000 0.908 786 R CB 1.546 31.805 30.300 -0.068 0.000 1.213 786 R HN 0.826 nan 8.270 nan 0.000 0.468 787 A N 3.280 126.144 122.820 0.074 0.000 2.515 787 A HA 0.287 4.622 4.320 0.026 0.000 0.263 787 A C -2.055 175.603 177.584 0.124 0.000 1.096 787 A CA -1.254 50.823 52.037 0.066 0.000 0.769 787 A CB -0.521 18.466 19.000 -0.022 0.000 1.040 787 A HN 0.513 nan 8.150 nan 0.000 0.505 788 P HA 0.082 nan 4.420 nan 0.000 0.262 788 P C -0.106 177.323 177.300 0.215 0.000 1.182 788 P CA 0.395 63.670 63.100 0.291 0.000 0.761 788 P CB 0.292 32.182 31.700 0.317 0.000 0.795 789 L N 2.562 123.879 121.223 0.156 0.000 2.475 789 L HA 0.130 4.485 4.340 0.026 0.000 0.253 789 L C 1.765 178.680 176.870 0.075 0.000 1.198 789 L CA -0.330 54.543 54.840 0.056 0.000 0.814 789 L CB 0.011 42.032 42.059 -0.064 0.000 1.134 789 L HN 0.316 nan 8.230 nan 0.000 0.478 790 D N 0.268 120.667 120.400 -0.002 0.000 2.149 790 D HA -0.156 4.500 4.640 0.026 0.000 0.198 790 D C 1.632 177.915 176.300 -0.029 0.000 0.990 790 D CA 1.348 55.301 54.000 -0.078 0.000 0.839 790 D CB 0.026 40.748 40.800 -0.131 0.000 0.948 790 D HN 0.462 nan 8.370 nan 0.000 0.460 791 N N 0.971 119.654 118.700 -0.030 0.000 2.309 791 N HA -0.101 4.655 4.740 0.026 0.000 0.182 791 N C 1.130 176.660 175.510 0.034 0.000 1.018 791 N CA 0.640 53.685 53.050 -0.009 0.000 0.876 791 N CB -0.119 38.347 38.487 -0.035 0.000 0.972 791 N HN 0.247 nan 8.380 nan 0.000 0.434 792 D N 0.423 120.860 120.400 0.062 0.000 2.224 792 D HA 0.036 4.692 4.640 0.026 0.000 0.205 792 D C 1.955 178.294 176.300 0.065 0.000 0.965 792 D CA 0.428 54.489 54.000 0.102 0.000 0.852 792 D CB 0.168 41.106 40.800 0.231 0.000 0.947 792 D HN 0.323 nan 8.370 nan 0.000 0.494 793 I N 0.104 120.703 120.570 0.048 0.000 2.494 793 I HA 0.075 4.260 4.170 0.026 0.000 0.250 793 I C 1.787 177.896 176.117 -0.014 0.000 1.112 793 I CA 0.596 61.904 61.300 0.014 0.000 1.438 793 I CB -0.291 37.700 38.000 -0.016 0.000 1.111 793 I HN 0.051 nan 8.210 nan 0.000 0.431 794 G N 1.370 110.169 108.800 -0.002 0.000 2.574 794 G HA2 -0.344 3.632 3.960 0.026 0.000 0.286 794 G HA3 -0.344 3.632 3.960 0.026 0.000 0.286 794 G C 0.699 175.595 174.900 -0.007 0.000 1.212 794 G CA 0.739 45.850 45.100 0.018 0.000 0.979 794 G HN 0.555 nan 8.290 nan 0.000 0.557 795 V N -1.854 118.044 119.914 -0.028 0.000 3.633 795 V HA 0.584 4.720 4.120 0.026 0.000 0.283 795 V C 1.308 177.351 176.094 -0.086 0.000 1.305 795 V CA 1.349 63.594 62.300 -0.091 0.000 1.153 795 V CB 0.009 31.750 31.823 -0.137 0.000 0.950 795 V HN 1.155 nan 8.190 nan 0.000 0.432 796 S N 1.140 116.802 115.700 -0.063 0.000 2.549 796 S HA 0.310 4.796 4.470 0.026 0.000 0.286 796 S C -0.113 174.457 174.600 -0.049 0.000 1.314 796 S CA 0.124 58.291 58.200 -0.054 0.000 1.062 796 S CB 0.322 63.496 63.200 -0.042 0.000 0.865 796 S HN 0.839 nan 8.310 nan 0.000 0.498 797 E N 1.501 121.676 120.200 -0.041 0.000 2.356 797 E HA 0.573 4.938 4.350 0.026 0.000 0.275 797 E C 0.374 176.966 176.600 -0.014 0.000 0.904 797 E CA -0.487 55.897 56.400 -0.028 0.000 0.757 797 E CB 1.414 31.091 29.700 -0.038 0.000 1.232 797 E HN 0.599 nan 8.360 nan 0.000 0.442 798 A N 1.417 124.238 122.820 0.001 0.000 2.032 798 A HA -0.194 4.142 4.320 0.026 0.000 0.221 798 A C 1.885 179.470 177.584 0.000 0.000 1.165 798 A CA 2.429 54.470 52.037 0.006 0.000 0.645 798 A CB -0.731 18.280 19.000 0.017 0.000 0.807 798 A HN 0.638 nan 8.150 nan 0.000 0.453 799 T N -4.402 110.149 114.554 -0.005 0.000 3.044 799 T HA 0.192 4.558 4.350 0.026 0.000 0.250 799 T C 0.770 175.457 174.700 -0.021 0.000 1.081 799 T CA 0.057 62.151 62.100 -0.010 0.000 1.040 799 T CB 0.059 68.922 68.868 -0.008 0.000 0.962 799 T HN 0.217 nan 8.240 nan 0.000 0.506 800 R N 1.449 121.931 120.500 -0.029 0.000 2.984 800 R HA 0.315 4.670 4.340 0.026 0.000 0.252 800 R C -1.246 175.027 176.300 -0.044 0.000 1.842 800 R CA -0.533 55.542 56.100 -0.041 0.000 1.389 800 R CB 0.691 30.957 30.300 -0.055 0.000 1.454 800 R HN 0.299 nan 8.270 nan 0.000 0.578 801 I N 1.802 122.351 120.570 -0.035 0.000 2.556 801 I HA -0.016 4.170 4.170 0.026 0.000 0.284 801 I C 0.727 176.814 176.117 -0.049 0.000 1.114 801 I CA 0.082 61.360 61.300 -0.036 0.000 1.418 801 I CB 0.613 38.597 38.000 -0.026 0.000 1.394 801 I HN 0.305 nan 8.210 nan 0.000 0.552 802 D N 9.771 130.137 120.400 -0.057 0.000 2.467 802 D HA 0.251 4.906 4.640 0.026 0.000 0.220 802 D C -1.576 174.673 176.300 -0.085 0.000 1.103 802 D CA -2.230 51.728 54.000 -0.071 0.000 0.886 802 D CB 1.425 42.181 40.800 -0.074 0.000 1.025 802 D HN 0.219 nan 8.370 nan 0.000 0.514 803 P HA -0.136 nan 4.420 nan 0.000 0.226 803 P C 0.839 178.046 177.300 -0.154 0.000 1.146 803 P CA 0.659 63.698 63.100 -0.102 0.000 0.773 803 P CB 0.401 32.050 31.700 -0.085 0.000 0.772 804 N N 0.164 118.767 118.700 -0.162 0.000 2.416 804 N HA 0.034 4.790 4.740 0.026 0.000 0.177 804 N C 0.516 175.840 175.510 -0.310 0.000 1.036 804 N CA 0.152 53.065 53.050 -0.229 0.000 0.901 804 N CB -0.530 37.852 38.487 -0.175 0.000 0.976 804 N HN -0.025 nan 8.380 nan 0.000 0.444 805 A N -0.415 122.265 122.820 -0.233 0.000 2.483 805 A HA 0.043 4.379 4.320 0.026 0.000 0.238 805 A C 0.703 178.080 177.584 -0.346 0.000 1.070 805 A CA -0.257 51.641 52.037 -0.231 0.000 0.770 805 A CB -0.214 18.715 19.000 -0.119 0.000 1.008 805 A HN 0.547 nan 8.150 nan 0.000 0.497 806 W N 1.644 122.686 121.300 -0.430 0.000 2.338 806 W HA -0.159 4.516 4.660 0.026 0.000 0.304 806 W C 2.199 178.128 176.519 -0.983 0.000 1.212 806 W CA 1.620 58.447 57.345 -0.863 0.000 1.264 806 W CB -0.303 28.503 29.460 -1.090 0.000 1.142 806 W HN 0.572 nan 8.180 nan 0.000 0.512 807 V N 0.851 120.613 119.914 -0.253 0.000 2.392 807 V HA -0.276 3.860 4.120 0.026 0.000 0.249 807 V C 2.169 178.332 176.094 0.114 0.000 1.059 807 V CA 2.138 64.495 62.300 0.094 0.000 1.051 807 V CB -0.314 31.626 31.823 0.194 0.000 0.658 807 V HN 0.070 nan 8.190 nan 0.000 0.455 808 E N -0.054 120.123 120.200 -0.038 0.000 2.106 808 E HA -0.161 4.205 4.350 0.026 0.000 0.192 808 E C 2.356 178.921 176.600 -0.059 0.000 0.984 808 E CA 1.109 57.491 56.400 -0.030 0.000 0.806 808 E CB -0.347 29.309 29.700 -0.074 0.000 0.750 808 E HN 0.620 nan 8.360 nan 0.000 0.458 809 R N -0.141 120.244 120.500 -0.192 0.000 2.073 809 R HA -0.123 4.233 4.340 0.026 0.000 0.234 809 R C 2.321 178.566 176.300 -0.092 0.000 1.134 809 R CA 1.318 57.289 56.100 -0.214 0.000 0.952 809 R CB -0.233 29.821 30.300 -0.409 0.000 0.850 809 R HN 0.259 nan 8.270 nan 0.000 0.433 810 W N 1.507 122.764 121.300 -0.072 0.000 2.355 810 W HA -0.096 4.580 4.660 0.027 0.000 0.309 810 W C 2.015 178.486 176.519 -0.081 0.000 1.206 810 W CA 0.695 57.896 57.345 -0.239 0.000 1.284 810 W CB -0.732 28.710 29.460 -0.030 0.000 1.145 810 W HN 0.114 nan 8.180 nan 0.000 0.502 811 K N 0.075 120.693 120.400 0.364 0.000 2.032 811 K HA -0.117 4.219 4.320 0.026 0.000 0.209 811 K C 2.283 178.952 176.600 0.115 0.000 1.048 811 K CA 1.896 58.364 56.287 0.302 0.000 0.927 811 K CB -0.611 32.018 32.500 0.215 0.000 0.712 811 K HN -0.010 nan 8.250 nan 0.000 0.441 812 A N 1.084 123.939 122.820 0.058 0.000 1.972 812 A HA -0.088 4.248 4.320 0.026 0.000 0.219 812 A C 2.188 179.772 177.584 0.001 0.000 1.169 812 A CA 1.791 53.842 52.037 0.024 0.000 0.635 812 A CB -0.516 18.484 19.000 0.000 0.000 0.810 812 A HN 0.351 nan 8.150 nan 0.000 0.446 813 A N -1.921 120.871 122.820 -0.047 0.000 2.208 813 A HA 0.403 4.738 4.320 0.026 0.000 0.209 813 A C 1.805 179.327 177.584 -0.103 0.000 1.161 813 A CA 1.222 53.236 52.037 -0.039 0.000 0.782 813 A CB -0.847 18.083 19.000 -0.116 0.000 0.816 813 A HN 1.874 nan 8.150 nan 0.000 0.477 814 G N -1.475 107.169 108.800 -0.260 0.000 2.136 814 G HA2 -0.307 3.668 3.960 0.026 0.000 0.242 814 G HA3 -0.307 3.668 3.960 0.026 0.000 0.242 814 G C 0.585 175.440 174.900 -0.076 0.000 0.989 814 G CA 0.668 45.377 45.100 -0.651 0.000 0.682 814 G HN 0.747 nan 8.290 nan 0.000 0.522 815 H N -1.493 117.531 119.070 -0.077 0.000 2.390 815 H HA -0.132 4.440 4.556 0.026 0.000 0.298 815 H C 2.199 177.481 175.328 -0.076 0.000 1.106 815 H CA 1.710 57.729 56.048 -0.049 0.000 1.297 815 H CB 0.073 29.749 29.762 -0.145 0.000 1.375 815 H HN 0.634 nan 8.280 nan 0.000 0.509 816 Y N 0.358 120.765 120.300 0.179 0.000 2.475 816 Y HA -0.066 4.499 4.550 0.026 0.000 0.289 816 Y C 2.194 178.167 175.900 0.121 0.000 1.121 816 Y CA 0.527 58.698 58.100 0.119 0.000 1.257 816 Y CB 0.363 38.882 38.460 0.097 0.000 1.026 816 Y HN 0.176 nan 8.280 nan 0.000 0.555 817 Q N -0.161 119.794 119.800 0.258 0.000 2.356 817 Q HA 0.256 4.611 4.340 0.026 0.000 0.205 817 Q C 0.619 176.800 176.000 0.302 0.000 0.901 817 Q CA -0.183 55.767 55.803 0.246 0.000 0.938 817 Q CB 0.489 29.363 28.738 0.228 0.000 1.081 817 Q HN 0.275 nan 8.270 nan 0.000 0.517 818 A N 2.673 125.689 122.820 0.326 0.000 2.511 818 A HA 0.030 4.366 4.320 0.026 0.000 0.242 818 A C 0.123 178.028 177.584 0.534 0.000 1.069 818 A CA 0.052 52.361 52.037 0.453 0.000 0.763 818 A CB 0.092 19.395 19.000 0.504 0.000 1.001 818 A HN 0.252 nan 8.150 nan 0.000 0.498 819 E N 1.830 122.274 120.200 0.406 0.000 2.166 819 E HA 0.593 4.958 4.350 0.026 0.000 0.275 819 E C -0.349 176.250 176.600 -0.002 0.000 0.941 819 E CA -0.659 55.895 56.400 0.257 0.000 0.784 819 E CB 1.580 31.383 29.700 0.172 0.000 1.115 819 E HN 0.652 nan 8.360 nan 0.000 0.399 820 A N 2.588 125.285 122.820 -0.206 0.000 2.450 820 A HA 0.495 4.830 4.320 0.026 0.000 0.255 820 A C -0.092 177.359 177.584 -0.222 0.000 1.096 820 A CA -0.043 51.590 52.037 -0.673 0.000 0.778 820 A CB 0.297 19.055 19.000 -0.404 0.000 1.031 820 A HN 0.720 nan 8.150 nan 0.000 0.494 821 A N 2.685 125.360 122.820 -0.242 0.000 2.303 821 A HA 0.588 4.923 4.320 0.026 0.000 0.320 821 A C -0.459 177.047 177.584 -0.130 0.000 1.192 821 A CA -0.559 51.415 52.037 -0.104 0.000 0.821 821 A CB 0.565 19.522 19.000 -0.072 0.000 1.188 821 A HN 1.252 nan 8.150 nan 0.000 0.492 822 L N 3.231 124.368 121.223 -0.144 0.000 2.360 822 L HA 0.369 4.725 4.340 0.026 0.000 0.276 822 L C 0.374 177.112 176.870 -0.220 0.000 1.121 822 L CA 0.262 54.913 54.840 -0.314 0.000 0.845 822 L CB 0.381 42.266 42.059 -0.290 0.000 1.143 822 L HN 0.759 nan 8.230 nan 0.000 0.452 823 L N 3.452 124.524 121.223 -0.252 0.000 2.575 823 L HA 0.356 4.711 4.340 0.026 0.000 0.228 823 L C 0.408 177.205 176.870 -0.121 0.000 1.075 823 L CA 0.008 54.769 54.840 -0.133 0.000 0.867 823 L CB 0.031 42.043 42.059 -0.078 0.000 1.097 823 L HN 0.730 nan 8.230 nan 0.000 0.485 824 Q N -0.400 119.293 119.800 -0.177 0.000 2.574 824 Q HA 0.275 4.631 4.340 0.026 0.000 0.265 824 Q C -2.160 173.772 176.000 -0.113 0.000 0.975 824 Q CA -0.495 55.244 55.803 -0.107 0.000 0.923 824 Q CB 2.817 31.521 28.738 -0.057 0.000 1.518 824 Q HN 0.046 nan 8.270 nan 0.000 0.401 825 C N 3.251 122.534 119.300 -0.028 0.000 2.892 825 C HA 0.783 5.258 4.460 0.026 0.000 0.360 825 C C -0.858 174.254 174.990 0.203 0.000 1.054 825 C CA 0.514 59.566 59.018 0.056 0.000 1.326 825 C CB 0.424 28.179 27.740 0.025 0.000 1.806 825 C HN 0.797 nan 8.230 nan 0.000 0.490 826 T N 2.337 116.952 114.554 0.101 0.000 2.883 826 T HA 0.905 5.271 4.350 0.026 0.000 0.296 826 T C -0.562 173.897 174.700 -0.402 0.000 1.117 826 T CA -0.270 61.818 62.100 -0.020 0.000 1.006 826 T CB 1.941 70.777 68.868 -0.054 0.000 1.191 826 T HN 1.612 nan 8.240 nan 0.000 0.508 827 A N 1.457 123.845 122.820 -0.720 0.000 2.386 827 A HA 0.793 5.129 4.320 0.026 0.000 0.311 827 A C -1.185 176.139 177.584 -0.433 0.000 1.068 827 A CA -0.704 50.851 52.037 -0.803 0.000 0.743 827 A CB 1.277 19.415 19.000 -1.436 0.000 1.258 827 A HN 0.878 nan 8.150 nan 0.000 0.429 828 D N 0.739 120.947 120.400 -0.320 0.000 2.645 828 D HA 0.576 5.232 4.640 0.026 0.000 0.228 828 D C -0.842 175.351 176.300 -0.179 0.000 1.148 828 D CA 0.017 53.894 54.000 -0.204 0.000 0.860 828 D CB 2.371 43.084 40.800 -0.146 0.000 1.548 828 D HN 0.606 nan 8.370 nan 0.000 0.460 829 T N -0.460 114.015 114.554 -0.132 0.000 2.859 829 T HA 0.743 5.109 4.350 0.026 0.000 0.281 829 T C 0.392 175.045 174.700 -0.077 0.000 1.005 829 T CA -0.718 61.319 62.100 -0.106 0.000 1.025 829 T CB 1.293 70.109 68.868 -0.086 0.000 0.977 829 T HN 0.190 nan 8.240 nan 0.000 0.458 830 L N 1.090 122.273 121.223 -0.068 0.000 2.267 830 L HA 0.700 5.056 4.340 0.026 0.000 0.264 830 L C 1.960 178.809 176.870 -0.035 0.000 1.021 830 L CA -1.589 53.222 54.840 -0.049 0.000 0.861 830 L CB 0.581 42.611 42.059 -0.048 0.000 1.443 830 L HN 0.765 nan 8.230 nan 0.000 0.475 831 A N 0.140 122.945 122.820 -0.025 0.000 2.019 831 A HA -0.140 4.195 4.320 0.026 0.000 0.219 831 A C 0.952 178.528 177.584 -0.013 0.000 1.164 831 A CA 1.936 53.964 52.037 -0.015 0.000 0.644 831 A CB -0.510 18.484 19.000 -0.010 0.000 0.805 831 A HN 0.880 nan 8.150 nan 0.000 0.449 832 D N -2.910 117.478 120.400 -0.021 0.000 2.594 832 D HA 0.544 5.200 4.640 0.026 0.000 0.256 832 D C 0.024 176.304 176.300 -0.033 0.000 1.393 832 D CA 0.689 54.677 54.000 -0.020 0.000 0.797 832 D CB -0.348 40.441 40.800 -0.018 0.000 1.110 832 D HN 0.451 nan 8.370 nan 0.000 0.495 833 A N -0.599 122.192 122.820 -0.047 0.000 2.536 833 A HA 0.656 4.991 4.320 0.026 0.000 0.293 833 A C -1.810 175.717 177.584 -0.095 0.000 1.119 833 A CA -0.670 51.323 52.037 -0.073 0.000 0.654 833 A CB 1.403 20.357 19.000 -0.076 0.000 1.291 833 A HN 0.010 nan 8.150 nan 0.000 0.439 834 V N 0.298 120.133 119.914 -0.132 0.000 2.604 834 V HA 0.658 4.794 4.120 0.026 0.000 0.305 834 V C -1.141 174.845 176.094 -0.179 0.000 1.043 834 V CA -0.439 61.764 62.300 -0.161 0.000 0.888 834 V CB 1.506 33.223 31.823 -0.176 0.000 0.995 834 V HN 0.851 nan 8.190 nan 0.000 0.429 835 L N 6.099 127.205 121.223 -0.194 0.000 2.343 835 L HA 0.627 4.982 4.340 0.026 0.000 0.278 835 L C -0.880 175.837 176.870 -0.255 0.000 0.996 835 L CA -0.002 54.729 54.840 -0.181 0.000 0.831 835 L CB 1.187 43.168 42.059 -0.130 0.000 1.232 835 L HN 0.406 nan 8.230 nan 0.000 0.413 836 I N 4.065 124.469 120.570 -0.277 0.000 2.336 836 I HA 0.403 4.589 4.170 0.026 0.000 0.292 836 I C 0.005 176.061 176.117 -0.101 0.000 0.991 836 I CA -0.211 60.869 61.300 -0.368 0.000 1.227 836 I CB 1.493 38.992 38.000 -0.835 0.000 1.366 836 I HN 0.544 nan 8.210 nan 0.000 0.466 837 T N 5.167 119.669 114.554 -0.086 0.000 2.792 837 T HA 0.608 4.974 4.350 0.026 0.000 0.280 837 T C 0.239 174.962 174.700 0.039 0.000 0.990 837 T CA -0.536 61.566 62.100 0.004 0.000 0.960 837 T CB 1.581 70.430 68.868 -0.032 0.000 0.939 837 T HN 0.761 nan 8.240 nan 0.000 0.439 838 T N -0.357 114.260 114.554 0.105 0.000 2.901 838 T HA 0.896 5.262 4.350 0.026 0.000 0.293 838 T C -1.080 173.660 174.700 0.067 0.000 1.084 838 T CA -1.149 60.994 62.100 0.071 0.000 1.008 838 T CB 2.082 71.066 68.868 0.193 0.000 1.170 838 T HN 0.775 nan 8.240 nan 0.000 0.509 839 A N 1.295 124.079 122.820 -0.061 0.000 2.465 839 A HA 0.719 5.055 4.320 0.026 0.000 0.292 839 A C -1.534 175.926 177.584 -0.207 0.000 1.041 839 A CA -0.781 51.259 52.037 0.006 0.000 0.718 839 A CB 0.803 19.811 19.000 0.014 0.000 1.266 839 A HN 0.992 nan 8.150 nan 0.000 0.403 840 H N 0.159 119.251 119.070 0.035 0.000 2.821 840 H HA 0.801 5.372 4.556 0.026 0.000 0.373 840 H C -0.031 175.278 175.328 -0.032 0.000 1.165 840 H CA 0.264 56.249 56.048 -0.105 0.000 1.154 840 H CB 2.160 31.749 29.762 -0.288 0.000 1.765 840 H HN 1.014 nan 8.280 nan 0.000 0.549 841 A N 1.812 124.620 122.820 -0.019 0.000 2.343 841 A HA 0.418 4.753 4.320 0.026 0.000 0.316 841 A C -1.331 176.225 177.584 -0.046 0.000 1.104 841 A CA -0.686 51.403 52.037 0.087 0.000 0.768 841 A CB 1.007 20.045 19.000 0.065 0.000 1.213 841 A HN 0.569 nan 8.150 nan 0.000 0.456 842 W N 2.142 123.575 121.300 0.222 0.000 2.376 842 W HA 0.423 5.099 4.660 0.027 0.000 0.312 842 W C -0.350 176.225 176.519 0.093 0.000 1.060 842 W CA -0.100 57.379 57.345 0.222 0.000 1.221 842 W CB 1.689 31.348 29.460 0.332 0.000 1.281 842 W HN 0.759 nan 8.180 nan 0.000 0.456 843 Q N 1.626 121.586 119.800 0.267 0.000 2.433 843 Q HA 0.401 4.757 4.340 0.026 0.000 0.279 843 Q C -0.909 175.241 176.000 0.249 0.000 1.105 843 Q CA -0.857 55.056 55.803 0.185 0.000 0.815 843 Q CB 3.575 32.373 28.738 0.101 0.000 1.403 843 Q HN 0.381 nan 8.270 nan 0.000 0.435 844 H N 1.515 120.632 119.070 0.078 0.000 3.108 844 H HA 0.097 4.669 4.556 0.026 0.000 0.329 844 H C -0.917 174.448 175.328 0.061 0.000 0.978 844 H CA -0.127 55.972 56.048 0.086 0.000 1.413 844 H CB 0.998 30.819 29.762 0.098 0.000 1.670 844 H HN 0.808 nan 8.280 nan 0.000 0.512 845 Q N 3.220 122.760 119.800 -0.434 0.000 2.439 845 Q HA -0.258 4.098 4.340 0.026 0.000 0.325 845 Q C 0.977 176.914 176.000 -0.105 0.000 1.372 845 Q CA 1.051 56.678 55.803 -0.293 0.000 0.909 845 Q CB -1.289 27.241 28.738 -0.348 0.000 1.167 845 Q HN 1.191 nan 8.270 nan 0.000 0.418 846 G N -0.716 108.054 108.800 -0.050 0.000 2.225 846 G HA2 -0.365 3.611 3.960 0.026 0.000 0.254 846 G HA3 -0.365 3.611 3.960 0.026 0.000 0.254 846 G C 0.064 174.971 174.900 0.012 0.000 0.988 846 G CA 0.429 45.522 45.100 -0.012 0.000 0.625 846 G HN 0.358 nan 8.290 nan 0.000 0.527 847 K N 1.772 122.189 120.400 0.028 0.000 2.183 847 K HA 0.644 4.980 4.320 0.026 0.000 0.274 847 K C -0.019 176.605 176.600 0.040 0.000 1.009 847 K CA -0.103 56.207 56.287 0.039 0.000 0.888 847 K CB 0.897 33.434 32.500 0.061 0.000 1.078 847 K HN 0.003 nan 8.250 nan 0.000 0.459 848 T N 6.420 120.988 114.554 0.023 0.000 2.723 848 T HA 0.223 4.589 4.350 0.026 0.000 0.297 848 T C 1.102 175.769 174.700 -0.055 0.000 0.925 848 T CA -0.373 61.741 62.100 0.023 0.000 1.030 848 T CB 0.211 69.106 68.868 0.046 0.000 0.905 848 T HN 0.535 nan 8.240 nan 0.000 0.502 849 L N 2.558 123.681 121.223 -0.167 0.000 2.102 849 L HA 0.323 4.679 4.340 0.026 0.000 0.202 849 L C 0.028 176.472 176.870 -0.710 0.000 1.076 849 L CA 0.982 55.462 54.840 -0.599 0.000 0.761 849 L CB 0.000 41.365 42.059 -1.157 0.000 0.921 849 L HN 0.511 nan 8.230 nan 0.000 0.444 850 F N -1.193 118.733 119.950 -0.040 0.000 2.613 850 F HA 0.570 5.113 4.527 0.026 0.000 0.310 850 F C -0.500 175.426 175.800 0.210 0.000 1.085 850 F CA -0.825 57.100 58.000 -0.125 0.000 0.945 850 F CB 2.089 40.640 39.000 -0.749 0.000 1.298 850 F HN -0.322 nan 8.300 nan 0.000 0.455 851 I N 1.447 122.255 120.570 0.397 0.000 2.466 851 I HA 0.346 4.531 4.170 0.026 0.000 0.289 851 I C -0.803 175.591 176.117 0.461 0.000 1.026 851 I CA -0.542 61.008 61.300 0.417 0.000 1.078 851 I CB 2.205 40.357 38.000 0.254 0.000 1.249 851 I HN 0.507 nan 8.210 nan 0.000 0.429 852 S N 6.717 122.781 115.700 0.607 0.000 2.530 852 S HA 0.552 5.038 4.470 0.026 0.000 0.322 852 S C -0.636 174.201 174.600 0.395 0.000 1.085 852 S CA -0.679 57.848 58.200 0.546 0.000 1.096 852 S CB 0.549 64.199 63.200 0.750 0.000 0.988 852 S HN 0.517 nan 8.310 nan 0.000 0.466 853 R N 3.801 124.459 120.500 0.263 0.000 2.437 853 R HA 0.548 4.903 4.340 0.026 0.000 0.310 853 R C -0.690 175.676 176.300 0.111 0.000 0.955 853 R CA -0.756 55.451 56.100 0.177 0.000 0.851 853 R CB 1.767 32.147 30.300 0.134 0.000 1.161 853 R HN 0.553 nan 8.270 nan 0.000 0.446 854 K N 0.891 121.347 120.400 0.093 0.000 2.480 854 K HA 0.453 4.789 4.320 0.026 0.000 0.258 854 K C -0.728 175.847 176.600 -0.042 0.000 0.990 854 K CA -0.878 55.388 56.287 -0.034 0.000 0.857 854 K CB 2.642 35.102 32.500 -0.068 0.000 1.384 854 K HN 0.636 nan 8.250 nan 0.000 0.446 855 T N -1.282 113.173 114.554 -0.165 0.000 2.916 855 T HA 0.564 4.929 4.350 0.026 0.000 0.298 855 T C -1.319 173.251 174.700 -0.217 0.000 1.031 855 T CA -0.729 61.313 62.100 -0.096 0.000 0.993 855 T CB 0.453 69.294 68.868 -0.046 0.000 1.045 855 T HN 0.387 nan 8.240 nan 0.000 0.454 856 Y N 1.169 121.428 120.300 -0.069 0.000 2.350 856 Y HA 0.666 5.231 4.550 0.026 0.000 0.338 856 Y C 0.466 176.289 175.900 -0.127 0.000 0.961 856 Y CA -1.165 56.907 58.100 -0.046 0.000 1.100 856 Y CB 1.953 40.411 38.460 -0.003 0.000 1.179 856 Y HN 0.697 nan 8.280 nan 0.000 0.454 857 R N 4.456 124.974 120.500 0.030 0.000 2.435 857 R HA 0.618 4.973 4.340 0.026 0.000 0.308 857 R C -1.758 174.478 176.300 -0.107 0.000 0.975 857 R CA -0.405 55.662 56.100 -0.054 0.000 0.867 857 R CB 0.664 30.941 30.300 -0.038 0.000 1.171 857 R HN 0.822 nan 8.270 nan 0.000 0.470 858 I N 5.074 125.519 120.570 -0.209 0.000 2.339 858 I HA 0.203 4.388 4.170 0.026 0.000 0.290 858 I C -0.266 175.715 176.117 -0.227 0.000 0.994 858 I CA -0.625 60.467 61.300 -0.348 0.000 1.191 858 I CB 1.479 39.086 38.000 -0.655 0.000 1.343 858 I HN 0.675 nan 8.210 nan 0.000 0.458 859 D N 4.340 124.648 120.400 -0.154 0.000 2.449 859 D HA 0.256 4.912 4.640 0.026 0.000 0.250 859 D C 1.196 177.466 176.300 -0.049 0.000 1.050 859 D CA -0.777 53.173 54.000 -0.084 0.000 1.024 859 D CB 1.170 41.940 40.800 -0.050 0.000 1.218 859 D HN 0.489 nan 8.370 nan 0.000 0.566 860 G N -0.735 108.049 108.800 -0.028 0.000 2.499 860 G HA2 -0.271 3.705 3.960 0.026 0.000 0.221 860 G HA3 -0.271 3.705 3.960 0.026 0.000 0.221 860 G C 1.242 176.137 174.900 -0.008 0.000 1.109 860 G CA 1.422 46.516 45.100 -0.009 0.000 0.749 860 G HN 0.607 nan 8.290 nan 0.000 0.568 861 S N -0.921 114.770 115.700 -0.015 0.000 2.527 861 S HA 0.354 4.840 4.470 0.026 0.000 0.222 861 S C 1.930 176.564 174.600 0.055 0.000 0.985 861 S CA 0.941 59.138 58.200 -0.004 0.000 0.921 861 S CB -0.035 63.161 63.200 -0.008 0.000 0.772 861 S HN 1.554 nan 8.310 nan 0.000 0.529 862 G N 0.385 109.234 108.800 0.081 0.000 2.175 862 G HA2 -0.235 3.740 3.960 0.026 0.000 0.244 862 G HA3 -0.235 3.740 3.960 0.026 0.000 0.244 862 G C -0.173 174.851 174.900 0.207 0.000 0.982 862 G CA 0.114 45.333 45.100 0.199 0.000 0.641 862 G HN 0.623 nan 8.290 nan 0.000 0.527 863 Q N -0.257 119.603 119.800 0.101 0.000 2.230 863 Q HA 0.660 5.015 4.340 0.026 0.000 0.248 863 Q C 0.248 176.274 176.000 0.043 0.000 0.915 863 Q CA -0.303 55.573 55.803 0.121 0.000 0.900 863 Q CB 1.577 30.373 28.738 0.096 0.000 1.229 863 Q HN 0.445 nan 8.270 nan 0.000 0.439 864 M N 1.973 121.648 119.600 0.124 0.000 2.066 864 M HA 0.524 5.019 4.480 0.026 0.000 0.340 864 M C -1.389 175.011 176.300 0.166 0.000 1.053 864 M CA -0.489 54.849 55.300 0.063 0.000 0.983 864 M CB 0.869 33.526 32.600 0.094 0.000 1.520 864 M HN 0.704 nan 8.290 nan 0.000 0.428 865 A N 6.860 129.738 122.820 0.095 0.000 2.289 865 A HA 0.683 5.019 4.320 0.026 0.000 0.298 865 A C -0.756 176.867 177.584 0.065 0.000 1.208 865 A CA -0.635 51.460 52.037 0.097 0.000 0.845 865 A CB 0.159 19.193 19.000 0.057 0.000 1.125 865 A HN 0.932 nan 8.150 nan 0.000 0.517 866 I N 2.352 122.950 120.570 0.046 0.000 2.362 866 I HA 0.322 4.507 4.170 0.026 0.000 0.289 866 I C -0.143 175.856 176.117 -0.197 0.000 0.994 866 I CA -0.194 61.024 61.300 -0.136 0.000 1.158 866 I CB 2.066 40.015 38.000 -0.086 0.000 1.315 866 I HN 0.492 nan 8.210 nan 0.000 0.451 867 T N 5.818 120.217 114.554 -0.260 0.000 2.779 867 T HA 0.551 4.917 4.350 0.026 0.000 0.280 867 T C -0.277 174.220 174.700 -0.338 0.000 0.987 867 T CA -0.471 61.479 62.100 -0.249 0.000 0.966 867 T CB 1.742 70.559 68.868 -0.086 0.000 0.933 867 T HN 0.212 nan 8.240 nan 0.000 0.442 868 V N 3.681 123.274 119.914 -0.536 0.000 2.588 868 V HA 0.486 4.622 4.120 0.026 0.000 0.304 868 V C -0.775 175.171 176.094 -0.247 0.000 1.042 868 V CA -0.921 61.100 62.300 -0.464 0.000 0.877 868 V CB 2.080 33.346 31.823 -0.928 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.383 123.799 120.400 0.026 0.000 2.505 869 D HA 0.479 5.134 4.640 0.026 0.000 0.250 869 D C -0.944 175.491 176.300 0.224 0.000 1.164 869 D CA -0.112 54.001 54.000 0.188 0.000 0.870 869 D CB 2.667 43.594 40.800 0.212 0.000 1.160 869 D HN 0.240 nan 8.370 nan 0.000 0.549 870 V N 2.288 122.376 119.914 0.290 0.000 2.483 870 V HA 0.291 4.427 4.120 0.026 0.000 0.295 870 V C 0.175 176.425 176.094 0.260 0.000 1.035 870 V CA -0.608 61.876 62.300 0.308 0.000 0.896 870 V CB 2.344 34.391 31.823 0.372 0.000 0.986 870 V HN 0.365 nan 8.190 nan 0.000 0.447 871 E N 2.461 122.798 120.200 0.228 0.000 2.171 871 E HA 0.607 4.972 4.350 0.026 0.000 0.271 871 E C -1.542 175.176 176.600 0.196 0.000 0.916 871 E CA -0.537 55.973 56.400 0.184 0.000 0.774 871 E CB 2.441 32.231 29.700 0.150 0.000 1.128 871 E HN 0.428 nan 8.360 nan 0.000 0.403 872 V N 2.485 122.516 119.914 0.194 0.000 2.409 872 V HA 0.368 4.504 4.120 0.026 0.000 0.291 872 V C 0.090 176.273 176.094 0.147 0.000 1.020 872 V CA -0.898 61.535 62.300 0.222 0.000 0.848 872 V CB 1.385 33.372 31.823 0.274 0.000 0.990 872 V HN 0.833 nan 8.190 nan 0.000 0.430 873 A N 3.657 126.522 122.820 0.074 0.000 2.567 873 A HA 0.258 4.594 4.320 0.026 0.000 0.240 873 A C 1.664 179.314 177.584 0.110 0.000 1.053 873 A CA 0.633 52.707 52.037 0.061 0.000 0.755 873 A CB 0.237 19.240 19.000 0.004 0.000 0.978 873 A HN 1.357 nan 8.150 nan 0.000 0.507 874 S N 1.279 117.042 115.700 0.105 0.000 2.419 874 S HA -0.171 4.314 4.470 0.026 0.000 0.235 874 S C 0.903 175.585 174.600 0.136 0.000 1.019 874 S CA 1.421 59.703 58.200 0.136 0.000 0.982 874 S CB -0.313 62.946 63.200 0.099 0.000 0.789 874 S HN 0.827 nan 8.310 nan 0.000 0.490 875 D N 0.161 120.614 120.400 0.087 0.000 2.340 875 D HA 0.145 4.800 4.640 0.026 0.000 0.217 875 D C 0.452 176.786 176.300 0.056 0.000 1.081 875 D CA 0.016 54.051 54.000 0.058 0.000 0.842 875 D CB -0.398 40.423 40.800 0.035 0.000 0.934 875 D HN 0.298 nan 8.370 nan 0.000 0.511 876 T N 1.726 116.338 114.554 0.098 0.000 2.907 876 T HA 0.372 4.738 4.350 0.026 0.000 0.284 876 T C -2.582 172.226 174.700 0.180 0.000 1.004 876 T CA -1.916 60.264 62.100 0.133 0.000 1.063 876 T CB 1.259 70.219 68.868 0.153 0.000 0.992 876 T HN -0.119 nan 8.240 nan 0.000 0.483 877 P HA 0.057 nan 4.420 nan 0.000 0.265 877 P C -0.604 177.003 177.300 0.513 0.000 1.187 877 P CA 0.118 63.319 63.100 0.168 0.000 0.766 877 P CB -0.023 31.759 31.700 0.137 0.000 0.820 878 H N 3.626 123.057 119.070 0.602 0.000 3.034 878 H HA 0.087 4.659 4.556 0.026 0.000 0.324 878 H C -1.569 174.099 175.328 0.567 0.000 1.015 878 H CA -1.368 54.974 56.048 0.490 0.000 1.429 878 H CB -0.414 29.571 29.762 0.371 0.000 1.429 878 H HN 0.389 nan 8.280 nan 0.000 0.585 879 P HA 0.037 nan 4.420 nan 0.000 0.276 879 P C 0.081 177.287 177.300 -0.157 0.000 1.244 879 P CA -0.360 62.811 63.100 0.118 0.000 0.801 879 P CB 1.199 32.817 31.700 -0.137 0.000 1.006 880 A N 2.978 125.447 122.820 -0.585 0.000 1.969 880 A HA -0.080 4.255 4.320 0.026 0.000 0.218 880 A C 1.045 178.243 177.584 -0.643 0.000 1.169 880 A CA 1.269 52.912 52.037 -0.656 0.000 0.635 880 A CB -0.526 17.848 19.000 -1.043 0.000 0.810 880 A HN 0.748 nan 8.150 nan 0.000 0.445 881 R N -2.751 117.413 120.500 -0.560 0.000 2.712 881 R HA 0.723 5.079 4.340 0.026 0.000 0.272 881 R C -1.706 174.371 176.300 -0.371 0.000 1.032 881 R CA -0.802 54.989 56.100 -0.516 0.000 0.874 881 R CB 0.807 30.770 30.300 -0.562 0.000 1.256 881 R HN -0.008 nan 8.270 nan 0.000 0.468 882 I N 1.264 121.651 120.570 -0.305 0.000 2.493 882 I HA 0.651 4.836 4.170 0.026 0.000 0.279 882 I C -0.333 175.568 176.117 -0.360 0.000 1.045 882 I CA -0.328 60.827 61.300 -0.242 0.000 1.106 882 I CB 1.791 39.716 38.000 -0.126 0.000 1.216 882 I HN 0.978 nan 8.210 nan 0.000 0.459 883 G N 5.809 114.338 108.800 -0.451 0.000 2.664 883 G HA2 0.730 4.706 3.960 0.026 0.000 0.303 883 G HA3 0.730 4.706 3.960 0.026 0.000 0.303 883 G C -1.665 173.074 174.900 -0.269 0.000 1.243 883 G CA -0.573 44.294 45.100 -0.388 0.000 0.826 883 G HN 0.270 nan 8.290 nan 0.000 0.498 884 L N 0.771 121.885 121.223 -0.182 0.000 2.309 884 L HA 0.678 5.034 4.340 0.026 0.000 0.261 884 L C -0.721 176.057 176.870 -0.155 0.000 1.021 884 L CA -1.145 53.618 54.840 -0.128 0.000 0.823 884 L CB 2.511 44.577 42.059 0.013 0.000 1.366 884 L HN 0.823 nan 8.230 nan 0.000 0.423 885 N N 0.311 118.946 118.700 -0.109 0.000 2.610 885 N HA 0.710 5.465 4.740 0.026 0.000 0.264 885 N C -1.279 174.238 175.510 0.011 0.000 1.348 885 N CA -0.613 52.402 53.050 -0.059 0.000 0.819 885 N CB 2.219 40.697 38.487 -0.016 0.000 1.521 885 N HN 0.868 nan 8.380 nan 0.000 0.497 886 C N -1.701 117.617 119.300 0.030 0.000 3.307 886 C HA 0.580 5.056 4.460 0.026 0.000 0.333 886 C C -1.216 173.586 174.990 -0.314 0.000 1.291 886 C CA -0.836 58.149 59.018 -0.055 0.000 1.273 886 C CB 1.058 28.793 27.740 -0.009 0.000 1.580 886 C HN 0.852 nan 8.230 nan 0.000 0.481 887 Q N 1.520 120.908 119.800 -0.686 0.000 2.372 887 Q HA 0.646 5.002 4.340 0.026 0.000 0.259 887 Q C -1.033 174.658 176.000 -0.514 0.000 0.993 887 Q CA -0.399 54.746 55.803 -1.096 0.000 0.854 887 Q CB 0.862 28.557 28.738 -1.739 0.000 1.231 887 Q HN 0.774 nan 8.270 nan 0.000 0.462 888 L N 2.447 123.470 121.223 -0.334 0.000 2.395 888 L HA 0.302 4.658 4.340 0.026 0.000 0.269 888 L C 1.269 178.069 176.870 -0.117 0.000 1.133 888 L CA -0.255 54.515 54.840 -0.117 0.000 0.812 888 L CB 0.876 42.973 42.059 0.063 0.000 1.125 888 L HN 0.795 nan 8.230 nan 0.000 0.452 889 A N 1.984 124.764 122.820 -0.066 0.000 1.969 889 A HA -0.136 4.200 4.320 0.026 0.000 0.218 889 A C 1.123 178.695 177.584 -0.021 0.000 1.169 889 A CA 0.903 52.899 52.037 -0.069 0.000 0.635 889 A CB -0.292 18.662 19.000 -0.077 0.000 0.810 889 A HN 0.803 nan 8.150 nan 0.000 0.445 890 Q N -0.555 119.272 119.800 0.046 0.000 2.260 890 Q HA 0.493 4.849 4.340 0.026 0.000 0.242 890 Q C -1.289 174.761 176.000 0.084 0.000 0.932 890 Q CA -0.196 55.633 55.803 0.044 0.000 0.891 890 Q CB 1.251 30.031 28.738 0.070 0.000 1.222 890 Q HN 0.109 nan 8.270 nan 0.000 0.453 891 V N 2.998 122.927 119.914 0.026 0.000 2.376 891 V HA 0.743 4.879 4.120 0.026 0.000 0.287 891 V C -0.611 175.465 176.094 -0.031 0.000 1.015 891 V CA -0.367 61.972 62.300 0.065 0.000 0.834 891 V CB 0.823 32.665 31.823 0.031 0.000 1.001 891 V HN 0.877 nan 8.190 nan 0.000 0.428 892 A N 3.250 126.000 122.820 -0.116 0.000 2.322 892 A HA 0.739 5.075 4.320 0.026 0.000 0.327 892 A C 0.709 178.275 177.584 -0.030 0.000 1.134 892 A CA -0.464 51.426 52.037 -0.245 0.000 0.831 892 A CB 1.334 19.952 19.000 -0.637 0.000 1.288 892 A HN 0.782 nan 8.150 nan 0.000 0.472 893 E N -0.235 119.947 120.200 -0.030 0.000 2.072 893 E HA -0.050 4.316 4.350 0.026 0.000 0.190 893 E C 0.208 176.867 176.600 0.098 0.000 0.982 893 E CA 0.884 57.306 56.400 0.038 0.000 0.803 893 E CB 0.155 29.864 29.700 0.015 0.000 0.755 893 E HN 0.443 nan 8.360 nan 0.000 0.453 894 R N -0.036 120.527 120.500 0.105 0.000 2.832 894 R HA 0.483 4.839 4.340 0.026 0.000 0.271 894 R C -0.922 175.549 176.300 0.285 0.000 0.996 894 R CA -0.890 55.310 56.100 0.167 0.000 0.977 894 R CB 1.694 32.065 30.300 0.118 0.000 1.168 894 R HN -0.160 nan 8.270 nan 0.000 0.482 895 V N 2.305 122.410 119.914 0.319 0.000 2.483 895 V HA 0.356 4.492 4.120 0.026 0.000 0.297 895 V C -0.260 176.106 176.094 0.453 0.000 1.027 895 V CA -0.905 61.627 62.300 0.388 0.000 0.855 895 V CB 1.733 33.735 31.823 0.298 0.000 0.995 895 V HN 0.635 nan 8.190 nan 0.000 0.424 896 N N 4.754 123.694 118.700 0.400 0.000 2.314 896 N HA 0.544 5.300 4.740 0.026 0.000 0.294 896 N C -1.333 174.426 175.510 0.415 0.000 1.029 896 N CA -0.420 52.835 53.050 0.341 0.000 0.845 896 N CB 2.704 41.288 38.487 0.161 0.000 1.321 896 N HN 0.799 nan 8.380 nan 0.000 0.481 897 W N 3.192 124.526 121.300 0.056 0.000 3.118 897 W HA 0.591 5.267 4.660 0.026 0.000 0.328 897 W C -2.113 174.370 176.519 -0.059 0.000 1.239 897 W CA -1.095 56.254 57.345 0.007 0.000 1.176 897 W CB 0.712 30.186 29.460 0.024 0.000 1.433 897 W HN 0.233 nan 8.180 nan 0.000 0.562 898 L N 3.914 125.110 121.223 -0.045 0.000 2.295 898 L HA 0.915 5.271 4.340 0.026 0.000 0.281 898 L C 0.011 176.726 176.870 -0.258 0.000 1.018 898 L CA 0.396 55.024 54.840 -0.353 0.000 0.841 898 L CB 0.726 42.662 42.059 -0.205 0.000 1.218 898 L HN 1.025 nan 8.230 nan 0.000 0.424 899 G N 3.697 112.179 108.800 -0.530 0.000 2.335 899 G HA2 0.198 4.174 3.960 0.026 0.000 0.291 899 G HA3 0.198 4.174 3.960 0.026 0.000 0.291 899 G C -1.650 173.294 174.900 0.074 0.000 1.261 899 G CA -1.041 44.017 45.100 -0.069 0.000 0.871 899 G HN 0.438 nan 8.290 nan 0.000 0.491 900 L N 1.000 122.412 121.223 0.315 0.000 2.380 900 L HA 0.624 4.980 4.340 0.026 0.000 0.273 900 L C 1.079 178.096 176.870 0.246 0.000 1.138 900 L CA 0.725 55.712 54.840 0.246 0.000 0.832 900 L CB 0.709 42.858 42.059 0.149 0.000 1.124 900 L HN 1.210 nan 8.230 nan 0.000 0.454 901 G N 2.561 111.309 108.800 -0.087 0.000 2.348 901 G HA2 0.235 4.211 3.960 0.026 0.000 0.296 901 G HA3 0.235 4.211 3.960 0.026 0.000 0.296 901 G C -2.742 171.398 174.900 -1.268 0.000 1.258 901 G CA -0.273 44.442 45.100 -0.641 0.000 0.868 901 G HN 0.314 nan 8.290 nan 0.000 0.488 902 P HA 0.069 nan 4.420 nan 0.000 0.227 902 P C 0.469 177.583 177.300 -0.309 0.000 1.161 902 P CA 0.655 63.125 63.100 -1.050 0.000 0.788 902 P CB 0.417 31.634 31.700 -0.806 0.000 0.822 903 Q N 0.516 120.125 119.800 -0.318 0.000 2.318 903 Q HA 0.143 4.499 4.340 0.026 0.000 0.222 903 Q C 0.380 176.275 176.000 -0.175 0.000 1.003 903 Q CA -0.609 55.083 55.803 -0.186 0.000 0.936 903 Q CB 0.655 29.300 28.738 -0.155 0.000 1.204 903 Q HN 0.137 nan 8.270 nan 0.000 0.524 904 E N 1.289 121.389 120.200 -0.166 0.000 2.568 904 E HA -0.122 4.243 4.350 0.026 0.000 0.262 904 E C -1.102 175.415 176.600 -0.139 0.000 0.961 904 E CA 0.297 56.585 56.400 -0.188 0.000 0.945 904 E CB 0.246 29.901 29.700 -0.076 0.000 0.924 904 E HN 0.589 nan 8.360 nan 0.000 0.467 905 N N 2.710 121.255 118.700 -0.259 0.000 2.371 905 N HA 0.296 5.052 4.740 0.026 0.000 0.280 905 N C -1.888 173.396 175.510 -0.378 0.000 1.084 905 N CA -0.655 52.292 53.050 -0.170 0.000 0.892 905 N CB 0.713 39.128 38.487 -0.120 0.000 1.653 905 N HN 0.225 nan 8.380 nan 0.000 0.480 906 Y N 0.441 120.652 120.300 -0.149 0.000 2.630 906 Y HA 0.520 5.086 4.550 0.026 0.000 0.337 906 Y C -1.595 174.234 175.900 -0.118 0.000 1.051 906 Y CA -2.092 55.908 58.100 -0.166 0.000 1.121 906 Y CB 1.647 40.004 38.460 -0.172 0.000 1.299 906 Y HN 0.429 nan 8.280 nan 0.000 0.498 907 P HA -0.185 nan 4.420 nan 0.000 0.216 907 P C 0.390 177.560 177.300 -0.217 0.000 1.154 907 P CA 2.186 65.324 63.100 0.064 0.000 0.865 907 P CB 0.182 32.047 31.700 0.276 0.000 0.789 908 D N -2.265 117.787 120.400 -0.581 0.000 2.342 908 D HA 0.010 4.666 4.640 0.026 0.000 0.221 908 D C 0.673 176.810 176.300 -0.272 0.000 1.101 908 D CA 0.035 53.479 54.000 -0.927 0.000 0.837 908 D CB -0.232 39.789 40.800 -1.298 0.000 0.938 908 D HN 0.126 nan 8.370 nan 0.000 0.508 909 R N 1.060 121.506 120.500 -0.089 0.000 2.640 909 R HA 0.168 4.523 4.340 0.026 0.000 0.240 909 R C -0.649 175.683 176.300 0.055 0.000 1.519 909 R CA -0.142 55.971 56.100 0.022 0.000 1.570 909 R CB 0.017 30.335 30.300 0.030 0.000 1.446 909 R HN 0.102 nan 8.270 nan 0.000 0.738 910 L N -1.886 119.376 121.223 0.066 0.000 3.259 910 L HA 0.352 4.708 4.340 0.026 0.000 0.292 910 L C 1.323 178.260 176.870 0.112 0.000 1.219 910 L CA 0.115 54.996 54.840 0.069 0.000 1.035 910 L CB 0.224 42.312 42.059 0.048 0.000 1.424 910 L HN 0.077 nan 8.230 nan 0.000 0.603 911 T N -2.756 111.893 114.554 0.158 0.000 2.915 911 T HA 0.034 4.400 4.350 0.026 0.000 0.269 911 T C 1.801 176.596 174.700 0.157 0.000 1.071 911 T CA 1.222 63.450 62.100 0.213 0.000 1.132 911 T CB -0.298 68.739 68.868 0.281 0.000 0.878 911 T HN 0.374 nan 8.240 nan 0.000 0.479 912 A N 1.710 124.624 122.820 0.156 0.000 2.066 912 A HA 0.622 4.958 4.320 0.026 0.000 0.218 912 A C 1.663 179.337 177.584 0.150 0.000 1.157 912 A CA 0.562 52.632 52.037 0.055 0.000 0.670 912 A CB -1.011 18.150 19.000 0.269 0.000 0.804 912 A HN 0.837 nan 8.150 nan 0.000 0.453 913 A N -1.105 121.756 122.820 0.070 0.000 2.425 913 A HA 0.421 4.757 4.320 0.026 0.000 0.242 913 A C 0.059 177.680 177.584 0.062 0.000 1.077 913 A CA 0.053 52.095 52.037 0.008 0.000 0.781 913 A CB -0.177 18.810 19.000 -0.021 0.000 1.020 913 A HN 0.506 nan 8.150 nan 0.000 0.494 914 C N 0.629 119.964 119.300 0.058 0.000 2.561 914 C HA 0.537 5.013 4.460 0.026 0.000 0.319 914 C C -0.133 174.969 174.990 0.187 0.000 1.198 914 C CA -0.490 58.616 59.018 0.146 0.000 1.665 914 C CB 0.786 28.639 27.740 0.189 0.000 2.258 914 C HN 0.787 nan 8.230 nan 0.000 0.493 915 F N 3.850 123.644 119.950 -0.259 0.000 2.444 915 F HA 0.486 5.029 4.527 0.026 0.000 0.360 915 F C 0.344 175.805 175.800 -0.566 0.000 1.106 915 F CA 1.197 58.881 58.000 -0.526 0.000 1.170 915 F CB -0.040 38.127 39.000 -1.389 0.000 1.113 915 F HN 0.622 nan 8.300 nan 0.000 0.521 916 D N 3.351 123.082 120.400 -1.114 0.000 2.809 916 D HA 0.173 4.828 4.640 0.026 0.000 0.336 916 D C -1.671 173.715 176.300 -1.523 0.000 1.367 916 D CA -0.740 52.519 54.000 -1.235 0.000 0.815 916 D CB 1.461 41.460 40.800 -1.334 0.000 1.381 916 D HN 0.489 nan 8.370 nan 0.000 0.471 917 R N 0.636 120.353 120.500 -1.305 0.000 2.229 917 R HA 0.554 4.910 4.340 0.026 0.000 0.328 917 R C -1.367 174.194 176.300 -1.232 0.000 1.009 917 R CA -0.155 55.328 56.100 -1.028 0.000 0.864 917 R CB 0.332 30.277 30.300 -0.592 0.000 1.085 917 R HN 0.312 nan 8.270 nan 0.000 0.453 918 W N 2.491 123.272 121.300 -0.865 0.000 2.781 918 W HA 0.427 5.103 4.660 0.026 0.000 0.345 918 W C -0.574 175.581 176.519 -0.606 0.000 1.085 918 W CA -0.736 56.072 57.345 -0.894 0.000 1.198 918 W CB 1.867 30.338 29.460 -1.647 0.000 1.423 918 W HN 0.384 nan 8.180 nan 0.000 0.532 919 D N 2.530 122.909 120.400 -0.035 0.000 2.763 919 D HA 0.439 5.095 4.640 0.026 0.000 0.235 919 D C -1.526 174.873 176.300 0.164 0.000 1.334 919 D CA -0.145 53.916 54.000 0.102 0.000 0.950 919 D CB 1.154 41.974 40.800 0.035 0.000 1.433 919 D HN 0.370 nan 8.370 nan 0.000 0.580 920 L N 3.181 124.567 121.223 0.272 0.000 2.350 920 L HA 0.567 4.923 4.340 0.026 0.000 0.260 920 L C -2.280 174.703 176.870 0.189 0.000 1.015 920 L CA -2.110 52.861 54.840 0.218 0.000 0.821 920 L CB 2.684 44.907 42.059 0.272 0.000 1.370 920 L HN 0.180 nan 8.230 nan 0.000 0.416 921 P HA 0.013 nan 4.420 nan 0.000 0.271 921 P C 0.560 177.941 177.300 0.135 0.000 1.218 921 P CA -0.355 62.817 63.100 0.120 0.000 0.780 921 P CB 1.063 32.814 31.700 0.085 0.000 0.901 922 L N 3.331 124.641 121.223 0.145 0.000 2.081 922 L HA -0.234 4.122 4.340 0.026 0.000 0.212 922 L C 2.298 179.223 176.870 0.092 0.000 1.080 922 L CA 2.623 57.541 54.840 0.131 0.000 0.754 922 L CB -1.400 40.748 42.059 0.149 0.000 0.893 922 L HN 0.448 nan 8.230 nan 0.000 0.433 923 S N -1.928 113.826 115.700 0.091 0.000 2.419 923 S HA -0.165 4.321 4.470 0.026 0.000 0.233 923 S C 1.565 176.238 174.600 0.121 0.000 1.016 923 S CA 1.079 59.345 58.200 0.110 0.000 0.974 923 S CB -0.727 62.535 63.200 0.103 0.000 0.786 923 S HN 0.500 nan 8.310 nan 0.000 0.492 924 D N 1.198 121.648 120.400 0.084 0.000 2.371 924 D HA 0.094 4.750 4.640 0.026 0.000 0.221 924 D C 1.152 177.464 176.300 0.019 0.000 0.986 924 D CA 0.580 54.609 54.000 0.049 0.000 0.899 924 D CB -0.122 40.710 40.800 0.054 0.000 0.902 924 D HN 0.405 nan 8.370 nan 0.000 0.530 925 M N -0.452 119.171 119.600 0.038 0.000 2.494 925 M HA 0.069 4.564 4.480 0.026 0.000 0.232 925 M C -0.085 176.225 176.300 0.017 0.000 1.137 925 M CA -0.051 55.230 55.300 -0.033 0.000 1.012 925 M CB -0.677 31.888 32.600 -0.058 0.000 1.567 925 M HN -0.054 nan 8.290 nan 0.000 0.486 926 Y N 0.120 120.386 120.300 -0.058 0.000 2.376 926 Y HA 0.508 5.074 4.550 0.027 0.000 0.340 926 Y C -0.815 175.048 175.900 -0.061 0.000 0.965 926 Y CA -0.964 57.122 58.100 -0.023 0.000 1.078 926 Y CB 1.335 39.837 38.460 0.070 0.000 1.193 926 Y HN -0.141 nan 8.280 nan 0.000 0.452 927 T N 9.157 123.304 114.554 -0.678 0.000 2.749 927 T HA 0.295 4.660 4.350 0.026 0.000 0.287 927 T C -2.679 171.307 174.700 -1.191 0.000 0.970 927 T CA -1.475 60.150 62.100 -0.792 0.000 0.980 927 T CB 1.110 69.549 68.868 -0.715 0.000 0.924 927 T HN 0.468 nan 8.240 nan 0.000 0.456 928 P HA 0.140 nan 4.420 nan 0.000 0.220 928 P C -0.664 176.528 177.300 -0.181 0.000 1.806 928 P CA -0.444 62.226 63.100 -0.717 0.000 0.976 928 P CB -0.629 30.808 31.700 -0.439 0.000 1.952 929 Y N -0.184 120.081 120.300 -0.058 0.000 2.702 929 Y HA -0.107 4.459 4.550 0.026 0.000 0.336 929 Y C 2.315 178.286 175.900 0.119 0.000 1.235 929 Y CA -0.439 57.688 58.100 0.046 0.000 1.492 929 Y CB 0.527 38.919 38.460 -0.113 0.000 1.308 929 Y HN -0.069 nan 8.280 nan 0.000 0.589 930 V N 3.273 123.435 119.914 0.415 0.000 2.332 930 V HA -0.306 3.830 4.120 0.026 0.000 0.248 930 V C 0.498 176.770 176.094 0.297 0.000 1.055 930 V CA 1.462 63.974 62.300 0.354 0.000 1.038 930 V CB -0.562 31.504 31.823 0.405 0.000 0.651 930 V HN 0.581 nan 8.190 nan 0.000 0.450 931 F N 3.049 123.068 119.950 0.115 0.000 2.371 931 F HA 0.531 5.074 4.527 0.027 0.000 0.363 931 F C -2.551 173.273 175.800 0.040 0.000 1.122 931 F CA -3.429 54.586 58.000 0.026 0.000 1.129 931 F CB 0.884 39.802 39.000 -0.137 0.000 1.173 931 F HN -0.022 nan 8.300 nan 0.000 0.489 932 P HA 0.299 nan 4.420 nan 0.000 0.271 932 P C -1.090 175.933 177.300 -0.462 0.000 1.216 932 P CA 0.007 62.873 63.100 -0.391 0.000 0.776 932 P CB 1.366 32.878 31.700 -0.314 0.000 0.881 933 S N 0.012 115.620 115.700 -0.153 0.000 2.703 933 S HA 0.444 4.930 4.470 0.026 0.000 0.273 933 S C -0.836 173.765 174.600 0.003 0.000 1.178 933 S CA -0.954 57.194 58.200 -0.087 0.000 0.838 933 S CB 0.350 63.526 63.200 -0.039 0.000 1.178 933 S HN 0.340 nan 8.310 nan 0.000 0.494 934 E N 1.179 121.390 120.200 0.019 0.000 2.452 934 E HA 0.388 4.754 4.350 0.026 0.000 0.261 934 E C -0.212 176.445 176.600 0.095 0.000 0.987 934 E CA 0.625 57.062 56.400 0.061 0.000 0.926 934 E CB -0.186 29.572 29.700 0.097 0.000 0.934 934 E HN 0.777 nan 8.360 nan 0.000 0.452 935 N N 1.499 120.288 118.700 0.149 0.000 3.046 935 N HA 0.499 5.255 4.740 0.026 0.000 0.243 935 N C 0.168 175.741 175.510 0.106 0.000 1.452 935 N CA -0.603 52.575 53.050 0.213 0.000 0.882 935 N CB 0.981 39.598 38.487 0.216 0.000 1.425 935 N HN 0.717 nan 8.380 nan 0.000 0.517 936 G N -1.326 107.502 108.800 0.047 0.000 2.184 936 G HA2 -0.265 3.711 3.960 0.026 0.000 0.264 936 G HA3 -0.265 3.711 3.960 0.026 0.000 0.264 936 G C -0.228 174.421 174.900 -0.418 0.000 0.975 936 G CA 0.415 45.417 45.100 -0.163 0.000 0.642 936 G HN 0.699 nan 8.290 nan 0.000 0.536 937 L N 0.062 120.951 121.223 -0.557 0.000 2.483 937 L HA 0.675 5.031 4.340 0.026 0.000 0.275 937 L C 0.673 176.958 176.870 -0.975 0.000 1.220 937 L CA 0.381 54.648 54.840 -0.954 0.000 0.833 937 L CB 0.554 41.727 42.059 -1.477 0.000 1.102 937 L HN 0.250 nan 8.230 nan 0.000 0.490 938 R N 2.465 122.312 120.500 -1.088 0.000 2.532 938 R HA 0.486 4.842 4.340 0.026 0.000 0.297 938 R C -1.049 174.904 176.300 -0.579 0.000 0.984 938 R CA -0.267 55.325 56.100 -0.847 0.000 0.884 938 R CB 1.384 31.024 30.300 -1.099 0.000 1.182 938 R HN 0.697 nan 8.270 nan 0.000 0.442 939 C N 0.472 119.583 119.300 -0.316 0.000 2.380 939 C HA 0.699 5.175 4.460 0.026 0.000 0.393 939 C C 1.278 176.253 174.990 -0.025 0.000 1.284 939 C CA 0.017 58.930 59.018 -0.175 0.000 2.033 939 C CB 1.359 29.020 27.740 -0.131 0.000 2.165 939 C HN 1.030 nan 8.230 nan 0.000 0.540 940 G N 1.856 110.655 108.800 -0.002 0.000 2.390 940 G HA2 -0.188 3.787 3.960 0.026 0.000 0.299 940 G HA3 -0.188 3.787 3.960 0.026 0.000 0.299 940 G C -0.043 174.934 174.900 0.128 0.000 1.002 940 G CA 0.628 45.779 45.100 0.084 0.000 0.979 940 G HN 0.797 nan 8.290 nan 0.000 0.513 941 T N 0.087 114.577 114.554 -0.107 0.000 2.767 941 T HA 0.507 4.873 4.350 0.026 0.000 0.288 941 T C 1.317 175.716 174.700 -0.502 0.000 0.963 941 T CA -0.658 61.327 62.100 -0.192 0.000 1.019 941 T CB 1.345 70.114 68.868 -0.165 0.000 0.923 941 T HN 0.235 nan 8.240 nan 0.000 0.468 942 R N 1.603 122.045 120.500 -0.097 0.000 2.282 942 R HA 0.289 4.645 4.340 0.026 0.000 0.195 942 R C 0.504 176.863 176.300 0.098 0.000 0.909 942 R CA 0.160 56.265 56.100 0.008 0.000 1.039 942 R CB 0.393 30.816 30.300 0.206 0.000 1.015 942 R HN 0.690 nan 8.270 nan 0.000 0.513 943 E N 0.522 120.783 120.200 0.101 0.000 2.321 943 E HA 0.344 4.710 4.350 0.026 0.000 0.281 943 E C -1.884 174.857 176.600 0.235 0.000 0.910 943 E CA -0.669 55.860 56.400 0.215 0.000 0.770 943 E CB 1.508 31.296 29.700 0.147 0.000 1.225 943 E HN -0.076 nan 8.360 nan 0.000 0.417 944 L N 4.049 125.462 121.223 0.317 0.000 2.410 944 L HA 0.608 4.964 4.340 0.026 0.000 0.270 944 L C -1.872 175.182 176.870 0.307 0.000 0.983 944 L CA -0.373 54.595 54.840 0.212 0.000 0.822 944 L CB 1.835 43.894 42.059 0.001 0.000 1.285 944 L HN 0.480 nan 8.230 nan 0.000 0.409 945 N N 4.267 123.125 118.700 0.264 0.000 2.314 945 N HA 0.453 5.208 4.740 0.026 0.000 0.294 945 N C -2.017 173.720 175.510 0.378 0.000 1.029 945 N CA -0.280 52.926 53.050 0.260 0.000 0.845 945 N CB 2.334 40.916 38.487 0.157 0.000 1.321 945 N HN 0.631 nan 8.380 nan 0.000 0.481 946 Y N 0.900 121.338 120.300 0.230 0.000 2.358 946 Y HA 0.397 4.963 4.550 0.026 0.000 0.324 946 Y C 0.519 176.526 175.900 0.178 0.000 1.123 946 Y CA 0.220 58.457 58.100 0.228 0.000 1.067 946 Y CB 0.716 39.377 38.460 0.335 0.000 1.230 946 Y HN 0.849 nan 8.280 nan 0.000 0.429 947 G N 6.356 114.944 108.800 -0.352 0.000 2.566 947 G HA2 -0.288 3.687 3.960 0.026 0.000 0.280 947 G HA3 -0.288 3.687 3.960 0.026 0.000 0.280 947 G C -1.762 173.014 174.900 -0.207 0.000 1.225 947 G CA 0.025 44.932 45.100 -0.321 0.000 0.966 947 G HN 0.639 nan 8.290 nan 0.000 0.560 948 P HA 0.117 nan 4.420 nan 0.000 0.245 948 P C 0.195 177.262 177.300 -0.388 0.000 1.212 948 P CA 0.791 63.688 63.100 -0.338 0.000 0.774 948 P CB -0.012 31.436 31.700 -0.419 0.000 0.999 949 H N 0.333 119.329 119.070 -0.124 0.000 2.472 949 H HA 0.465 5.037 4.556 0.026 0.000 0.335 949 H C -0.101 174.936 175.328 -0.486 0.000 1.136 949 H CA -0.104 55.730 56.048 -0.357 0.000 1.264 949 H CB 1.688 30.989 29.762 -0.769 0.000 1.486 949 H HN 0.081 nan 8.280 nan 0.000 0.517 950 Q N 2.286 121.812 119.800 -0.458 0.000 2.305 950 Q HA 0.260 4.616 4.340 0.026 0.000 0.271 950 Q C -1.589 174.128 176.000 -0.473 0.000 1.046 950 Q CA -0.717 54.915 55.803 -0.285 0.000 0.798 950 Q CB 2.155 30.858 28.738 -0.059 0.000 1.286 950 Q HN 0.571 nan 8.270 nan 0.000 0.435 951 W N 3.565 124.814 121.300 -0.085 0.000 2.736 951 W HA 0.591 5.267 4.660 0.027 0.000 0.335 951 W C -0.256 176.326 176.519 0.105 0.000 1.059 951 W CA -0.748 56.508 57.345 -0.147 0.000 1.226 951 W CB 2.086 31.258 29.460 -0.480 0.000 1.416 951 W HN 0.537 nan 8.180 nan 0.000 0.505 952 R N 0.571 121.290 120.500 0.365 0.000 2.744 952 R HA 0.773 5.129 4.340 0.026 0.000 0.279 952 R C 0.143 176.725 176.300 0.469 0.000 0.977 952 R CA -0.497 55.853 56.100 0.416 0.000 0.906 952 R CB 2.424 32.876 30.300 0.253 0.000 1.197 952 R HN 0.765 nan 8.270 nan 0.000 0.463 953 G N 0.701 109.783 108.800 0.470 0.000 2.553 953 G HA2 -0.021 3.955 3.960 0.026 0.000 0.106 953 G HA3 -0.021 3.955 3.960 0.026 0.000 0.106 953 G C -1.745 173.327 174.900 0.287 0.000 1.126 953 G CA -0.289 45.056 45.100 0.407 0.000 1.075 953 G HN 0.501 nan 8.290 nan 0.000 0.472 954 D N 0.057 120.634 120.400 0.295 0.000 2.527 954 D HA 0.563 5.218 4.640 0.026 0.000 0.242 954 D C -0.673 175.654 176.300 0.046 0.000 1.285 954 D CA -0.453 53.582 54.000 0.059 0.000 0.886 954 D CB 0.059 40.916 40.800 0.096 0.000 1.402 954 D HN 0.564 nan 8.370 nan 0.000 0.528 955 F N -0.388 119.565 119.950 0.004 0.000 2.790 955 F HA 0.743 5.286 4.527 0.026 0.000 0.337 955 F C -0.926 174.841 175.800 -0.055 0.000 1.163 955 F CA -1.007 56.933 58.000 -0.099 0.000 0.997 955 F CB 0.709 39.649 39.000 -0.100 0.000 1.437 955 F HN -0.184 nan 8.300 nan 0.000 0.512 956 Q N 1.471 121.343 119.800 0.120 0.000 2.306 956 Q HA 0.632 4.988 4.340 0.026 0.000 0.265 956 Q C -1.247 174.818 176.000 0.108 0.000 1.022 956 Q CA -0.509 55.279 55.803 -0.026 0.000 0.853 956 Q CB 2.648 31.279 28.738 -0.178 0.000 1.327 956 Q HN 0.851 nan 8.270 nan 0.000 0.449 957 F N -1.151 118.682 119.950 -0.195 0.000 2.711 957 F HA 0.760 5.303 4.527 0.027 0.000 0.313 957 F C -1.440 174.151 175.800 -0.348 0.000 1.141 957 F CA -1.134 56.722 58.000 -0.241 0.000 0.941 957 F CB 1.608 40.489 39.000 -0.199 0.000 1.349 957 F HN 0.554 nan 8.300 nan 0.000 0.464 958 N N 1.255 119.762 118.700 -0.320 0.000 2.329 958 N HA 0.711 5.466 4.740 0.026 0.000 0.282 958 N C -2.159 173.281 175.510 -0.118 0.000 1.198 958 N CA -0.707 52.132 53.050 -0.352 0.000 0.790 958 N CB 2.558 40.854 38.487 -0.319 0.000 1.579 958 N HN 1.137 nan 8.380 nan 0.000 0.475 959 I N 0.572 121.071 120.570 -0.118 0.000 2.610 959 I HA 0.691 4.877 4.170 0.026 0.000 0.289 959 I C -1.397 174.638 176.117 -0.136 0.000 1.163 959 I CA 0.063 61.266 61.300 -0.161 0.000 1.044 959 I CB 1.347 39.184 38.000 -0.270 0.000 1.251 959 I HN 1.058 nan 8.210 nan 0.000 0.424 960 S N 6.228 121.856 115.700 -0.119 0.000 2.655 960 S HA 0.519 5.005 4.470 0.026 0.000 0.266 960 S C -0.304 174.177 174.600 -0.199 0.000 1.149 960 S CA -0.970 57.148 58.200 -0.137 0.000 0.818 960 S CB 1.669 64.841 63.200 -0.047 0.000 1.130 960 S HN 0.621 nan 8.310 nan 0.000 0.476 961 R N -0.170 120.035 120.500 -0.492 0.000 2.356 961 R HA 0.270 4.626 4.340 0.026 0.000 0.234 961 R C -0.914 175.052 176.300 -0.558 0.000 0.929 961 R CA 0.254 56.059 56.100 -0.491 0.000 1.084 961 R CB -0.842 29.069 30.300 -0.650 0.000 1.105 961 R HN 0.664 nan 8.270 nan 0.000 0.515 962 Y N 0.410 120.673 120.300 -0.061 0.000 2.341 962 Y HA 0.209 4.775 4.550 0.026 0.000 0.338 962 Y C 0.824 176.521 175.900 -0.338 0.000 0.965 962 Y CA -1.079 56.901 58.100 -0.200 0.000 1.108 962 Y CB 1.411 39.698 38.460 -0.288 0.000 1.180 962 Y HN -0.088 nan 8.280 nan 0.000 0.458 963 S N 1.582 116.943 115.700 -0.565 0.000 2.600 963 S HA 0.041 4.526 4.470 0.026 0.000 0.265 963 S C 0.929 175.191 174.600 -0.562 0.000 1.325 963 S CA -0.700 56.801 58.200 -1.165 0.000 1.002 963 S CB 1.066 63.312 63.200 -1.589 0.000 0.921 963 S HN 0.729 nan 8.310 nan 0.000 0.554 964 Q N 0.550 120.039 119.800 -0.518 0.000 2.124 964 Q HA -0.184 4.171 4.340 0.026 0.000 0.202 964 Q C 2.249 178.105 176.000 -0.241 0.000 0.977 964 Q CA 1.818 57.458 55.803 -0.272 0.000 0.850 964 Q CB -0.583 28.030 28.738 -0.208 0.000 0.901 964 Q HN 0.962 nan 8.270 nan 0.000 0.429 965 Q N 0.634 120.246 119.800 -0.313 0.000 2.050 965 Q HA -0.223 4.133 4.340 0.026 0.000 0.202 965 Q C 2.126 178.014 176.000 -0.187 0.000 0.980 965 Q CA 1.601 57.279 55.803 -0.209 0.000 0.840 965 Q CB 0.012 28.628 28.738 -0.204 0.000 0.898 965 Q HN 0.402 nan 8.270 nan 0.000 0.424 966 Q N 0.006 119.668 119.800 -0.231 0.000 2.084 966 Q HA -0.165 4.191 4.340 0.026 0.000 0.202 966 Q C 2.163 178.044 176.000 -0.199 0.000 0.978 966 Q CA 1.276 56.963 55.803 -0.194 0.000 0.844 966 Q CB -0.064 28.536 28.738 -0.231 0.000 0.898 966 Q HN 0.488 nan 8.270 nan 0.000 0.426 967 L N 0.607 121.707 121.223 -0.204 0.000 2.083 967 L HA -0.190 4.166 4.340 0.026 0.000 0.209 967 L C 2.695 179.448 176.870 -0.194 0.000 1.083 967 L CA 1.408 56.127 54.840 -0.201 0.000 0.752 967 L CB -0.488 41.485 42.059 -0.143 0.000 0.899 967 L HN 0.483 nan 8.230 nan 0.000 0.433 968 M N -1.564 117.947 119.600 -0.149 0.000 2.562 968 M HA -0.057 4.439 4.480 0.026 0.000 0.257 968 M C 1.166 177.399 176.300 -0.111 0.000 1.099 968 M CA 1.508 56.734 55.300 -0.122 0.000 1.099 968 M CB -0.195 32.341 32.600 -0.108 0.000 1.427 968 M HN 0.127 nan 8.290 nan 0.000 0.489 969 E N 0.875 121.006 120.200 -0.115 0.000 2.474 969 E HA 0.131 4.497 4.350 0.026 0.000 0.195 969 E C -0.417 176.139 176.600 -0.073 0.000 1.039 969 E CA 0.029 56.383 56.400 -0.076 0.000 0.881 969 E CB 0.674 30.336 29.700 -0.064 0.000 0.970 969 E HN 0.384 nan 8.360 nan 0.000 0.486 970 T N 0.261 114.737 114.554 -0.129 0.000 2.779 970 T HA 0.109 4.474 4.350 0.026 0.000 0.280 970 T C 1.027 175.635 174.700 -0.153 0.000 0.987 970 T CA -0.478 61.543 62.100 -0.131 0.000 0.966 970 T CB 1.685 70.438 68.868 -0.191 0.000 0.933 970 T HN 0.022 nan 8.240 nan 0.000 0.442 971 S N 1.844 117.556 115.700 0.019 0.000 2.478 971 S HA 0.097 4.583 4.470 0.026 0.000 0.222 971 S C 0.262 174.950 174.600 0.147 0.000 1.008 971 S CA 0.234 58.539 58.200 0.176 0.000 0.928 971 S CB -0.183 63.270 63.200 0.421 0.000 0.781 971 S HN 0.734 nan 8.310 nan 0.000 0.518 972 H N 0.731 119.819 119.070 0.030 0.000 2.759 972 H HA 0.479 5.051 4.556 0.026 0.000 0.354 972 H C 0.945 176.247 175.328 -0.043 0.000 1.074 972 H CA -0.766 55.353 56.048 0.117 0.000 1.226 972 H CB 1.516 31.347 29.762 0.114 0.000 1.648 972 H HN 0.130 nan 8.280 nan 0.000 0.529 973 R N 2.227 122.827 120.500 0.167 0.000 2.139 973 R HA -0.214 4.142 4.340 0.026 0.000 0.243 973 R C 1.155 177.460 176.300 0.009 0.000 1.145 973 R CA 2.076 58.212 56.100 0.059 0.000 0.976 973 R CB -0.507 29.874 30.300 0.135 0.000 0.866 973 R HN 0.785 nan 8.270 nan 0.000 0.449 974 H N 0.875 119.958 119.070 0.023 0.000 2.545 974 H HA 0.018 4.590 4.556 0.026 0.000 0.282 974 H C 1.450 176.709 175.328 -0.115 0.000 1.020 974 H CA 0.817 56.841 56.048 -0.040 0.000 1.243 974 H CB -0.158 29.577 29.762 -0.044 0.000 1.377 974 H HN 0.336 nan 8.280 nan 0.000 0.581 975 L N 0.855 121.690 121.223 -0.646 0.000 2.607 975 L HA 0.232 4.588 4.340 0.026 0.000 0.228 975 L C 0.583 177.310 176.870 -0.238 0.000 1.123 975 L CA -0.188 54.351 54.840 -0.502 0.000 0.890 975 L CB 0.179 41.915 42.059 -0.538 0.000 1.103 975 L HN 0.038 nan 8.230 nan 0.000 0.468 976 L N 0.835 121.906 121.223 -0.252 0.000 2.452 976 L HA 0.149 4.505 4.340 0.026 0.000 0.267 976 L C 0.169 176.991 176.870 -0.080 0.000 1.188 976 L CA -0.094 54.564 54.840 -0.304 0.000 0.821 976 L CB 0.369 41.998 42.059 -0.716 0.000 1.102 976 L HN 0.196 nan 8.230 nan 0.000 0.470 977 H N 1.455 120.536 119.070 0.019 0.000 2.679 977 H HA 0.589 5.161 4.556 0.026 0.000 0.360 977 H C -0.826 174.642 175.328 0.233 0.000 1.105 977 H CA -1.237 54.876 56.048 0.107 0.000 1.196 977 H CB 1.262 31.040 29.762 0.027 0.000 1.636 977 H HN 0.674 nan 8.280 nan 0.000 0.531 978 A N 3.639 126.578 122.820 0.197 0.000 2.511 978 A HA 0.109 4.444 4.320 0.026 0.000 0.242 978 A C 0.356 177.974 177.584 0.057 0.000 1.069 978 A CA -0.208 51.798 52.037 -0.051 0.000 0.763 978 A CB -0.025 18.929 19.000 -0.077 0.000 1.001 978 A HN 0.836 nan 8.150 nan 0.000 0.498 979 E N 1.050 121.254 120.200 0.007 0.000 2.312 979 E HA 0.209 4.575 4.350 0.026 0.000 0.259 979 E C -0.055 176.582 176.600 0.063 0.000 1.122 979 E CA -0.696 55.785 56.400 0.134 0.000 0.922 979 E CB 0.751 30.619 29.700 0.279 0.000 1.109 979 E HN 0.782 nan 8.360 nan 0.000 0.442 980 E N 0.298 120.535 120.200 0.061 0.000 2.392 980 E HA 0.197 4.562 4.350 0.026 0.000 0.264 980 E C 0.371 176.930 176.600 -0.068 0.000 1.024 980 E CA 0.623 57.021 56.400 -0.004 0.000 0.903 980 E CB 0.434 30.131 29.700 -0.005 0.000 0.963 980 E HN 0.673 nan 8.360 nan 0.000 0.432 981 G N 2.740 111.498 108.800 -0.070 0.000 2.598 981 G HA2 -0.231 3.745 3.960 0.026 0.000 0.244 981 G HA3 -0.231 3.745 3.960 0.026 0.000 0.244 981 G C -0.653 174.174 174.900 -0.122 0.000 1.302 981 G CA -0.096 44.940 45.100 -0.106 0.000 0.903 981 G HN 0.630 nan 8.290 nan 0.000 0.575 982 T N -0.008 114.437 114.554 -0.183 0.000 2.991 982 T HA 0.478 4.844 4.350 0.026 0.000 0.303 982 T C -0.876 173.632 174.700 -0.320 0.000 1.015 982 T CA -0.242 61.758 62.100 -0.167 0.000 1.007 982 T CB 1.353 70.211 68.868 -0.018 0.000 1.034 982 T HN 0.596 nan 8.240 nan 0.000 0.446 983 W N 3.404 124.608 121.300 -0.159 0.000 2.345 983 W HA 0.557 5.233 4.660 0.026 0.000 0.308 983 W C -0.210 176.176 176.519 -0.223 0.000 1.273 983 W CA -0.631 56.616 57.345 -0.163 0.000 1.243 983 W CB 0.551 29.926 29.460 -0.142 0.000 1.260 983 W HN 0.342 nan 8.180 nan 0.000 0.509 984 L N 5.950 127.143 121.223 -0.050 0.000 2.313 984 L HA 0.485 4.840 4.340 0.026 0.000 0.283 984 L C -0.830 175.945 176.870 -0.158 0.000 1.013 984 L CA -0.607 54.099 54.840 -0.223 0.000 0.816 984 L CB 0.754 42.547 42.059 -0.443 0.000 1.236 984 L HN 0.315 nan 8.230 nan 0.000 0.419 985 N N 7.061 125.660 118.700 -0.169 0.000 2.479 985 N HA 0.424 5.180 4.740 0.026 0.000 0.261 985 N C -1.123 174.255 175.510 -0.219 0.000 0.979 985 N CA -0.272 52.679 53.050 -0.165 0.000 0.930 985 N CB 2.174 40.590 38.487 -0.118 0.000 1.172 985 N HN 0.537 nan 8.380 nan 0.000 0.499 986 I N 2.059 122.454 120.570 -0.293 0.000 2.354 986 I HA 0.215 4.401 4.170 0.026 0.000 0.286 986 I C -0.596 175.349 176.117 -0.287 0.000 1.007 986 I CA -0.519 60.575 61.300 -0.343 0.000 1.167 986 I CB 1.318 38.949 38.000 -0.615 0.000 1.320 986 I HN 0.176 nan 8.210 nan 0.000 0.458 987 D N 4.637 124.905 120.400 -0.220 0.000 2.192 987 D HA 0.273 4.929 4.640 0.026 0.000 0.246 987 D C 1.015 177.022 176.300 -0.488 0.000 1.042 987 D CA -0.238 53.561 54.000 -0.334 0.000 0.847 987 D CB 2.483 43.184 40.800 -0.165 0.000 1.186 987 D HN 0.672 nan 8.370 nan 0.000 0.461 988 G N 1.181 109.364 108.800 -1.028 0.000 2.403 988 G HA2 -0.030 3.946 3.960 0.026 0.000 0.216 988 G HA3 -0.030 3.946 3.960 0.026 0.000 0.216 988 G C 0.121 174.262 174.900 -1.263 0.000 1.154 988 G CA 0.574 44.922 45.100 -1.253 0.000 0.784 988 G HN 0.384 nan 8.290 nan 0.000 0.538 989 F N -2.063 117.694 119.950 -0.322 0.000 2.601 989 F HA 0.593 5.136 4.527 0.026 0.000 0.309 989 F C -0.521 175.183 175.800 -0.161 0.000 1.089 989 F CA -1.144 56.745 58.000 -0.184 0.000 0.940 989 F CB 2.195 41.012 39.000 -0.305 0.000 1.273 989 F HN 0.031 nan 8.300 nan 0.000 0.450 990 H N 2.061 121.147 119.070 0.026 0.000 2.771 990 H HA 0.532 5.104 4.556 0.026 0.000 0.361 990 H C -0.816 174.540 175.328 0.047 0.000 1.108 990 H CA -0.895 55.142 56.048 -0.017 0.000 1.201 990 H CB 1.842 31.576 29.762 -0.047 0.000 1.681 990 H HN 0.772 nan 8.280 nan 0.000 0.534 991 M N 3.472 123.004 119.600 -0.114 0.000 2.240 991 M HA 0.312 4.808 4.480 0.026 0.000 0.333 991 M C 0.453 176.878 176.300 0.208 0.000 1.110 991 M CA 0.213 55.538 55.300 0.042 0.000 1.173 991 M CB 0.426 32.956 32.600 -0.117 0.000 1.458 991 M HN 0.838 nan 8.290 nan 0.000 0.458 992 G N 2.700 111.600 108.800 0.167 0.000 2.690 992 G HA2 0.237 4.212 3.960 0.026 0.000 0.239 992 G HA3 0.237 4.212 3.960 0.026 0.000 0.239 992 G C 0.569 175.458 174.900 -0.017 0.000 1.233 992 G CA -0.291 44.838 45.100 0.048 0.000 0.847 992 G HN 0.979 nan 8.290 nan 0.000 0.588 993 I N -1.180 119.329 120.570 -0.102 0.000 3.854 993 I HA 0.408 4.593 4.170 0.026 0.000 0.312 993 I C 1.250 177.301 176.117 -0.109 0.000 1.273 993 I CA 0.400 61.602 61.300 -0.163 0.000 1.298 993 I CB -0.524 37.269 38.000 -0.344 0.000 1.071 993 I HN 0.932 nan 8.210 nan 0.000 0.428 994 G N 1.768 110.525 108.800 -0.071 0.000 2.601 994 G HA2 -0.011 3.965 3.960 0.026 0.000 0.261 994 G HA3 -0.011 3.965 3.960 0.026 0.000 0.261 994 G C 0.605 175.500 174.900 -0.009 0.000 1.289 994 G CA 0.262 45.356 45.100 -0.010 0.000 0.920 994 G HN 1.394 nan 8.290 nan 0.000 0.571 995 G N -2.494 106.315 108.800 0.016 0.000 2.559 995 G HA2 0.024 4.000 3.960 0.026 0.000 0.202 995 G HA3 0.024 4.000 3.960 0.026 0.000 0.202 995 G C 0.637 175.588 174.900 0.084 0.000 0.992 995 G CA 0.925 46.042 45.100 0.028 0.000 0.764 995 G HN 0.935 nan 8.290 nan 0.000 0.525 996 D N 1.250 121.719 120.400 0.116 0.000 2.172 996 D HA 0.075 4.730 4.640 0.026 0.000 0.196 996 D C 1.028 177.361 176.300 0.055 0.000 0.999 996 D CA 2.171 56.302 54.000 0.217 0.000 0.856 996 D CB 0.132 41.069 40.800 0.228 0.000 0.934 996 D HN 0.806 nan 8.370 nan 0.000 0.453 997 D N -3.480 116.740 120.400 -0.300 0.000 2.615 997 D HA 0.325 4.981 4.640 0.026 0.000 0.267 997 D C -0.765 175.021 176.300 -0.857 0.000 1.236 997 D CA -0.728 52.662 54.000 -1.016 0.000 0.839 997 D CB 0.931 40.617 40.800 -1.858 0.000 1.380 997 D HN -0.306 nan 8.370 nan 0.000 0.433 998 S N -0.506 114.537 115.700 -1.095 0.000 2.588 998 S HA 0.239 4.725 4.470 0.026 0.000 0.245 998 S C -0.544 174.031 174.600 -0.041 0.000 1.021 998 S CA -0.647 57.414 58.200 -0.232 0.000 1.006 998 S CB -0.514 62.838 63.200 0.254 0.000 0.830 998 S HN 0.612 nan 8.310 nan 0.000 0.468 999 W N 0.909 122.143 121.300 -0.109 0.000 2.036 999 W HA 0.533 5.208 4.660 0.025 0.000 0.298 999 W C -0.036 176.419 176.519 -0.106 0.000 0.885 999 W CA -0.550 56.714 57.345 -0.136 0.000 1.488 999 W CB -0.559 28.762 29.460 -0.231 0.000 1.079 999 W HN 0.165 nan 8.180 nan 0.000 0.506 1000 S N -0.977 114.605 115.700 -0.198 0.000 2.550 1000 S HA 0.617 5.103 4.470 0.026 0.000 0.270 1000 S C -3.101 171.434 174.600 -0.109 0.000 1.145 1000 S CA -1.631 56.504 58.200 -0.108 0.000 0.852 1000 S CB 1.762 64.932 63.200 -0.051 0.000 1.119 1000 S HN -0.218 nan 8.310 nan 0.000 0.465 1001 P HA 0.155 nan 4.420 nan 0.000 0.261 1001 P C 0.409 177.751 177.300 0.070 0.000 1.183 1001 P CA 0.123 63.232 63.100 0.016 0.000 0.761 1001 P CB 0.587 32.188 31.700 -0.166 0.000 0.785 1002 S N 0.725 116.507 115.700 0.136 0.000 2.847 1002 S HA 0.138 4.624 4.470 0.026 0.000 0.254 1002 S C 0.182 174.869 174.600 0.145 0.000 1.039 1002 S CA -0.315 57.940 58.200 0.092 0.000 1.113 1002 S CB -0.238 62.965 63.200 0.006 0.000 1.092 1002 S HN 0.109 nan 8.310 nan 0.000 0.620 1003 V N 2.900 122.945 119.914 0.219 0.000 2.427 1003 V HA 0.371 4.506 4.120 0.026 0.000 0.268 1003 V C 0.807 177.053 176.094 0.254 0.000 1.046 1003 V CA -0.230 62.185 62.300 0.191 0.000 0.970 1003 V CB 0.885 32.763 31.823 0.091 0.000 1.001 1003 V HN 0.522 nan 8.190 nan 0.000 0.476 1004 S N 4.064 119.927 115.700 0.272 0.000 2.573 1004 S HA 0.290 4.776 4.470 0.026 0.000 0.277 1004 S C 1.563 176.307 174.600 0.239 0.000 1.346 1004 S CA 0.079 58.431 58.200 0.253 0.000 1.034 1004 S CB 1.138 64.515 63.200 0.295 0.000 0.879 1004 S HN 0.987 nan 8.310 nan 0.000 0.528 1005 A N 3.253 126.170 122.820 0.162 0.000 1.986 1005 A HA -0.150 4.186 4.320 0.026 0.000 0.220 1005 A C 2.013 179.629 177.584 0.053 0.000 1.171 1005 A CA 1.859 53.977 52.037 0.136 0.000 0.640 1005 A CB -0.638 18.422 19.000 0.101 0.000 0.811 1005 A HN 0.948 nan 8.150 nan 0.000 0.451 1006 E N -0.914 119.253 120.200 -0.055 0.000 2.338 1006 E HA -0.118 4.247 4.350 0.026 0.000 0.197 1006 E C 0.816 177.163 176.600 -0.422 0.000 1.007 1006 E CA 0.771 57.010 56.400 -0.268 0.000 0.849 1006 E CB -0.450 29.006 29.700 -0.406 0.000 0.774 1006 E HN 0.682 nan 8.360 nan 0.000 0.506 1007 F N 1.123 121.126 119.950 0.088 0.000 2.653 1007 F HA 0.270 4.813 4.527 0.026 0.000 0.304 1007 F C 0.905 176.746 175.800 0.068 0.000 1.092 1007 F CA -0.498 57.554 58.000 0.087 0.000 1.279 1007 F CB 0.549 39.601 39.000 0.086 0.000 1.044 1007 F HN -0.190 nan 8.300 nan 0.000 0.564 1008 Q N 1.132 121.039 119.800 0.178 0.000 2.230 1008 Q HA 0.389 4.745 4.340 0.026 0.000 0.248 1008 Q C -0.159 175.883 176.000 0.071 0.000 0.915 1008 Q CA -0.467 55.424 55.803 0.147 0.000 0.900 1008 Q CB 1.683 30.607 28.738 0.311 0.000 1.229 1008 Q HN 0.247 nan 8.270 nan 0.000 0.439 1009 L N 2.419 123.667 121.223 0.043 0.000 2.399 1009 L HA 0.123 4.479 4.340 0.026 0.000 0.257 1009 L C 0.573 177.400 176.870 -0.072 0.000 1.236 1009 L CA -0.080 54.763 54.840 0.004 0.000 1.144 1009 L CB -0.350 41.606 42.059 -0.171 0.000 1.379 1009 L HN 0.682 nan 8.230 nan 0.000 0.414 1010 S N -1.193 114.356 115.700 -0.251 0.000 2.557 1010 S HA 0.135 4.621 4.470 0.026 0.000 0.223 1010 S C 1.673 176.165 174.600 -0.179 0.000 0.969 1010 S CA 0.170 58.008 58.200 -0.603 0.000 0.927 1010 S CB 0.672 63.444 63.200 -0.713 0.000 0.806 1010 S HN 0.524 nan 8.310 nan 0.000 0.489 1011 A N 1.448 124.224 122.820 -0.073 0.000 2.121 1011 A HA 0.435 4.770 4.320 0.026 0.000 0.218 1011 A C 2.104 179.534 177.584 -0.258 0.000 1.154 1011 A CA 1.188 53.039 52.037 -0.310 0.000 0.679 1011 A CB -1.272 17.262 19.000 -0.778 0.000 0.795 1011 A HN 1.397 nan 8.150 nan 0.000 0.458 1012 G N -1.196 107.567 108.800 -0.062 0.000 2.990 1012 G HA2 -0.314 3.662 3.960 0.026 0.000 0.225 1012 G HA3 -0.314 3.662 3.960 0.026 0.000 0.225 1012 G C 0.480 175.377 174.900 -0.004 0.000 1.304 1012 G CA 0.500 45.604 45.100 0.006 0.000 0.816 1012 G HN 0.694 nan 8.290 nan 0.000 0.528 1013 R N -0.437 119.940 120.500 -0.205 0.000 2.599 1013 R HA 0.712 5.068 4.340 0.026 0.000 0.295 1013 R C -1.477 174.595 176.300 -0.379 0.000 0.963 1013 R CA -0.565 55.457 56.100 -0.129 0.000 0.883 1013 R CB 1.509 31.765 30.300 -0.072 0.000 1.171 1013 R HN 0.298 nan 8.270 nan 0.000 0.450 1014 Y N 0.283 120.586 120.300 0.006 0.000 2.492 1014 Y HA 0.338 4.904 4.550 0.026 0.000 0.346 1014 Y C -0.538 175.524 175.900 0.269 0.000 0.997 1014 Y CA -0.807 57.270 58.100 -0.038 0.000 1.025 1014 Y CB 2.230 40.550 38.460 -0.234 0.000 1.263 1014 Y HN 0.592 nan 8.280 nan 0.000 0.454 1015 H N 2.714 122.071 119.070 0.478 0.000 2.679 1015 H HA 0.622 5.194 4.556 0.026 0.000 0.360 1015 H C -1.749 173.971 175.328 0.653 0.000 1.105 1015 H CA -0.888 55.420 56.048 0.434 0.000 1.196 1015 H CB 1.254 31.162 29.762 0.243 0.000 1.636 1015 H HN 0.571 nan 8.280 nan 0.000 0.531 1016 Y N 1.806 121.959 120.300 -0.245 0.000 2.638 1016 Y HA 0.515 5.081 4.550 0.026 0.000 0.335 1016 Y C -1.751 173.960 175.900 -0.315 0.000 1.155 1016 Y CA -1.148 56.850 58.100 -0.171 0.000 1.046 1016 Y CB 1.576 40.003 38.460 -0.054 0.000 1.303 1016 Y HN 0.734 nan 8.280 nan 0.000 0.460 1017 Q N 2.154 121.925 119.800 -0.049 0.000 2.284 1017 Q HA 0.725 5.081 4.340 0.026 0.000 0.269 1017 Q C -2.547 173.524 176.000 0.118 0.000 1.026 1017 Q CA -0.514 55.256 55.803 -0.056 0.000 0.831 1017 Q CB 2.290 31.029 28.738 0.001 0.000 1.322 1017 Q HN 0.873 nan 8.270 nan 0.000 0.419 1018 L N 2.810 124.088 121.223 0.091 0.000 2.370 1018 L HA 0.816 5.172 4.340 0.026 0.000 0.266 1018 L C -0.973 176.001 176.870 0.172 0.000 1.002 1018 L CA -1.326 53.601 54.840 0.144 0.000 0.818 1018 L CB 2.435 44.552 42.059 0.097 0.000 1.325 1018 L HN 0.456 nan 8.230 nan 0.000 0.418 1019 V N 1.032 121.073 119.914 0.211 0.000 2.448 1019 V HA 0.408 4.544 4.120 0.026 0.000 0.295 1019 V C -1.181 175.080 176.094 0.278 0.000 1.025 1019 V CA -0.434 62.002 62.300 0.226 0.000 0.859 1019 V CB 2.110 34.042 31.823 0.181 0.000 0.988 1019 V HN 0.612 nan 8.190 nan 0.000 0.431 1020 W N 6.793 128.158 121.300 0.107 0.000 2.475 1020 W HA 0.713 5.389 4.660 0.027 0.000 0.317 1020 W C -0.241 176.280 176.519 0.004 0.000 1.046 1020 W CA -1.037 56.299 57.345 -0.015 0.000 1.215 1020 W CB 1.447 30.963 29.460 0.093 0.000 1.335 1020 W HN 0.894 nan 8.180 nan 0.000 0.471 1021 C N 3.156 122.695 119.300 0.398 0.000 3.316 1021 C HA 0.579 5.055 4.460 0.026 0.000 0.360 1021 C C -0.565 174.536 174.990 0.185 0.000 1.560 1021 C CA -0.884 58.307 59.018 0.288 0.000 1.229 1021 C CB 1.535 29.381 27.740 0.177 0.000 1.823 1021 C HN 0.651 nan 8.230 nan 0.000 0.440 1022 Q N 1.176 121.037 119.800 0.103 0.000 2.259 1022 Q HA 0.375 4.731 4.340 0.026 0.000 0.249 1022 Q C -0.199 175.797 176.000 -0.007 0.000 0.914 1022 Q CA -0.166 55.643 55.803 0.010 0.000 0.904 1022 Q CB 1.217 29.951 28.738 -0.007 0.000 1.213 1022 Q HN 0.545 nan 8.270 nan 0.000 0.428 1023 K N 0.000 120.372 120.400 -0.046 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.026 0.000 0.191 1023 K CA 0.000 56.270 56.287 -0.027 0.000 0.838 1023 K CB 0.000 32.475 32.500 -0.041 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543