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 1jyv_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA 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 LILCQYAHAM 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 0.000 176.087 176.300 -0.355 0.000 0.893 13 R CA 0.000 55.970 56.100 -0.216 0.000 0.921 13 R CB 0.000 30.173 30.300 -0.211 0.000 0.687 14 R N 1.779 121.955 120.500 -0.539 0.000 3.570 14 R HA 0.114 4.462 4.340 0.012 0.000 0.233 14 R C 0.066 175.777 176.300 -0.982 0.000 1.492 14 R CA -0.336 55.022 56.100 -1.238 0.000 1.504 14 R CB 0.246 29.986 30.300 -0.934 0.000 1.314 14 R HN 0.469 nan 8.270 nan 0.000 0.687 15 D N 1.001 121.050 120.400 -0.584 0.000 2.311 15 D HA -0.189 4.459 4.640 0.012 0.000 0.212 15 D C 1.284 177.478 176.300 -0.176 0.000 0.972 15 D CA 1.122 54.880 54.000 -0.402 0.000 0.887 15 D CB 0.147 40.547 40.800 -0.667 0.000 0.915 15 D HN 0.646 nan 8.370 nan 0.000 0.497 16 W N 1.127 122.457 121.300 0.051 0.000 3.292 16 W HA 0.236 4.903 4.660 0.012 0.000 0.263 16 W C 0.441 177.060 176.519 0.166 0.000 1.318 16 W CA -0.325 57.149 57.345 0.214 0.000 1.663 16 W CB -0.281 29.355 29.460 0.294 0.000 1.114 16 W HN -0.202 nan 8.180 nan 0.000 0.706 17 E N 1.229 121.266 120.200 -0.271 0.000 3.157 17 E HA 0.053 4.411 4.350 0.012 0.000 0.203 17 E C -0.652 175.800 176.600 -0.247 0.000 0.982 17 E CA -0.198 56.093 56.400 -0.182 0.000 1.217 17 E CB -0.187 29.400 29.700 -0.188 0.000 1.123 17 E HN 0.023 nan 8.360 nan 0.000 0.457 18 N N 1.058 119.645 118.700 -0.188 0.000 2.629 18 N HA 0.122 4.869 4.740 0.012 0.000 0.277 18 N C -2.348 173.022 175.510 -0.234 0.000 1.188 18 N CA -1.922 50.983 53.050 -0.242 0.000 0.835 18 N CB 1.405 39.759 38.487 -0.221 0.000 1.420 18 N HN -0.167 nan 8.380 nan 0.000 0.542 19 P HA 0.029 nan 4.420 nan 0.000 0.231 19 P C 1.061 178.122 177.300 -0.398 0.000 1.158 19 P CA 0.690 63.462 63.100 -0.547 0.000 0.763 19 P CB 0.121 30.969 31.700 -1.419 0.000 0.805 20 G N -0.544 108.068 108.800 -0.314 0.000 2.623 20 G HA2 0.052 4.020 3.960 0.012 0.000 0.214 20 G HA3 0.052 4.020 3.960 0.012 0.000 0.214 20 G C 0.321 175.141 174.900 -0.133 0.000 1.138 20 G CA 0.138 45.104 45.100 -0.223 0.000 0.794 20 G HN 0.210 nan 8.290 nan 0.000 0.535 21 V N 1.876 121.728 119.914 -0.103 0.000 2.304 21 V HA 0.292 4.420 4.120 0.012 0.000 0.278 21 V C 0.915 177.062 176.094 0.089 0.000 1.018 21 V CA 0.184 62.474 62.300 -0.018 0.000 0.814 21 V CB 1.142 32.934 31.823 -0.052 0.000 1.021 21 V HN 0.339 nan 8.190 nan 0.000 0.440 22 T N 0.796 115.401 114.554 0.084 0.000 3.023 22 T HA 0.365 4.722 4.350 0.012 0.000 0.253 22 T C 0.254 175.008 174.700 0.091 0.000 1.038 22 T CA 0.032 62.190 62.100 0.097 0.000 0.962 22 T CB 0.293 69.171 68.868 0.016 0.000 1.018 22 T HN 0.681 nan 8.240 nan 0.000 0.521 23 Q N 0.166 120.066 119.800 0.166 0.000 2.776 23 Q HA 0.673 5.020 4.340 0.012 0.000 0.289 23 Q C -2.252 173.886 176.000 0.230 0.000 0.912 23 Q CA -1.049 54.846 55.803 0.153 0.000 0.789 23 Q CB 0.841 29.585 28.738 0.010 0.000 1.498 23 Q HN 0.212 nan 8.270 nan 0.000 0.408 24 L N 1.616 122.997 121.223 0.263 0.000 2.470 24 L HA 0.603 4.950 4.340 0.012 0.000 0.268 24 L C -0.643 176.346 176.870 0.198 0.000 0.964 24 L CA -0.858 54.135 54.840 0.254 0.000 0.839 24 L CB 1.916 44.232 42.059 0.428 0.000 1.276 24 L HN 0.850 nan 8.230 nan 0.000 0.403 25 N N 0.781 119.567 118.700 0.143 0.000 2.800 25 N HA -0.200 4.547 4.740 0.012 0.000 0.250 25 N C 0.177 175.760 175.510 0.122 0.000 1.078 25 N CA 0.833 53.959 53.050 0.127 0.000 0.804 25 N CB -0.806 37.714 38.487 0.056 0.000 1.135 25 N HN 0.645 nan 8.380 nan 0.000 0.565 26 R N 0.871 121.369 120.500 -0.004 0.000 2.441 26 R HA 0.405 4.753 4.340 0.012 0.000 0.284 26 R C 0.533 176.704 176.300 -0.216 0.000 1.070 26 R CA -0.331 55.570 56.100 -0.332 0.000 1.047 26 R CB 0.545 30.639 30.300 -0.345 0.000 1.016 26 R HN 0.120 nan 8.270 nan 0.000 0.477 27 L N 2.779 123.846 121.223 -0.260 0.000 2.466 27 L HA 0.329 4.676 4.340 0.012 0.000 0.257 27 L C 0.616 177.436 176.870 -0.083 0.000 1.189 27 L CA -0.649 54.127 54.840 -0.106 0.000 0.813 27 L CB 0.860 42.887 42.059 -0.054 0.000 1.118 27 L HN 0.763 nan 8.230 nan 0.000 0.471 28 A N 1.257 124.072 122.820 -0.009 0.000 2.483 28 A HA 0.463 4.790 4.320 0.012 0.000 0.238 28 A C 0.299 177.888 177.584 0.008 0.000 1.070 28 A CA 0.004 52.044 52.037 0.004 0.000 0.770 28 A CB 0.131 19.161 19.000 0.051 0.000 1.008 28 A HN 0.785 nan 8.150 nan 0.000 0.497 29 A N 1.570 124.344 122.820 -0.076 0.000 2.351 29 A HA 0.660 4.987 4.320 0.012 0.000 0.257 29 A C 0.116 177.597 177.584 -0.171 0.000 1.087 29 A CA 0.473 52.383 52.037 -0.213 0.000 0.798 29 A CB -0.101 18.780 19.000 -0.198 0.000 1.033 29 A HN 1.844 nan 8.150 nan 0.000 0.488 30 H N -1.741 117.183 119.070 -0.243 0.000 2.932 30 H HA 0.675 5.239 4.556 0.012 0.000 0.307 30 H C -3.410 171.640 175.328 -0.464 0.000 1.391 30 H CA -1.893 53.947 56.048 -0.346 0.000 1.130 30 H CB 0.162 29.621 29.762 -0.504 0.000 1.836 30 H HN 0.367 nan 8.280 nan 0.000 0.522 31 P HA 0.244 nan 4.420 nan 0.000 0.276 31 P C -2.614 174.530 177.300 -0.261 0.000 1.261 31 P CA -1.575 61.334 63.100 -0.317 0.000 0.800 31 P CB -0.152 31.286 31.700 -0.437 0.000 1.066 32 P HA 0.044 nan 4.420 nan 0.000 0.261 32 P C -0.762 176.742 177.300 0.340 0.000 1.183 32 P CA 1.143 64.281 63.100 0.062 0.000 0.761 32 P CB -0.159 31.614 31.700 0.122 0.000 0.785 33 F N 1.528 121.581 119.950 0.172 0.000 2.523 33 F HA 0.598 5.132 4.527 0.012 0.000 0.329 33 F C 1.030 176.770 175.800 -0.100 0.000 1.061 33 F CA -0.992 57.048 58.000 0.067 0.000 0.967 33 F CB 2.136 41.126 39.000 -0.017 0.000 1.218 33 F HN 0.218 nan 8.300 nan 0.000 0.480 34 A N 0.393 123.162 122.820 -0.085 0.000 2.530 34 A HA 0.223 4.550 4.320 0.012 0.000 0.214 34 A C 0.616 177.925 177.584 -0.457 0.000 1.352 34 A CA 0.431 52.181 52.037 -0.479 0.000 1.035 34 A CB -0.092 18.148 19.000 -1.267 0.000 1.296 34 A HN 0.749 nan 8.150 nan 0.000 0.563 35 S N 0.436 115.975 115.700 -0.268 0.000 3.524 35 S HA -0.148 4.329 4.470 0.012 0.000 0.377 35 S C 0.009 174.552 174.600 -0.095 0.000 0.949 35 S CA 0.437 58.534 58.200 -0.171 0.000 1.264 35 S CB -1.582 61.513 63.200 -0.174 0.000 0.918 35 S HN 0.462 nan 8.310 nan 0.000 0.517 36 W N 1.727 123.006 121.300 -0.036 0.000 2.137 36 W HA 0.242 4.909 4.660 0.012 0.000 0.344 36 W C 1.427 177.921 176.519 -0.042 0.000 1.286 36 W CA -0.525 56.804 57.345 -0.027 0.000 1.240 36 W CB 0.246 29.690 29.460 -0.027 0.000 1.141 36 W HN 0.359 nan 8.180 nan 0.000 0.579 37 R N 1.704 122.327 120.500 0.205 0.000 2.543 37 R HA 0.091 4.438 4.340 0.012 0.000 0.323 37 R C -0.052 176.295 176.300 0.079 0.000 1.002 37 R CA -0.112 56.047 56.100 0.099 0.000 1.106 37 R CB -0.032 30.297 30.300 0.049 0.000 1.280 37 R HN 0.353 nan 8.270 nan 0.000 0.549 38 N N 0.111 118.869 118.700 0.096 0.000 2.397 38 N HA 0.113 4.860 4.740 0.012 0.000 0.291 38 N C -0.153 175.317 175.510 -0.066 0.000 1.065 38 N CA -0.039 53.018 53.050 0.013 0.000 0.884 38 N CB 1.965 40.462 38.487 0.017 0.000 1.551 38 N HN -0.254 nan 8.380 nan 0.000 0.487 39 S N 2.239 117.878 115.700 -0.102 0.000 2.402 39 S HA -0.135 4.343 4.470 0.012 0.000 0.229 39 S C 1.383 175.798 174.600 -0.309 0.000 1.021 39 S CA 0.906 58.997 58.200 -0.182 0.000 0.974 39 S CB 0.044 63.172 63.200 -0.120 0.000 0.800 39 S HN 0.749 nan 8.310 nan 0.000 0.484 40 E N 1.837 121.877 120.200 -0.267 0.000 2.106 40 E HA -0.135 4.223 4.350 0.012 0.000 0.192 40 E C 1.817 178.191 176.600 -0.377 0.000 0.984 40 E CA 1.114 57.318 56.400 -0.327 0.000 0.806 40 E CB -0.145 29.423 29.700 -0.220 0.000 0.750 40 E HN 0.282 nan 8.360 nan 0.000 0.458 41 E N 0.108 120.100 120.200 -0.347 0.000 2.150 41 E HA -0.107 4.250 4.350 0.012 0.000 0.193 41 E C 1.950 177.940 176.600 -1.018 0.000 0.985 41 E CA 1.065 57.222 56.400 -0.406 0.000 0.814 41 E CB -0.408 29.213 29.700 -0.133 0.000 0.752 41 E HN 0.389 nan 8.360 nan 0.000 0.466 42 A N 1.526 123.552 122.820 -1.324 0.000 1.898 42 A HA -0.158 4.170 4.320 0.012 0.000 0.216 42 A C 2.236 179.206 177.584 -1.023 0.000 1.181 42 A CA 1.479 52.381 52.037 -1.892 0.000 0.620 42 A CB -0.449 18.005 19.000 -0.910 0.000 0.819 42 A HN 0.132 nan 8.150 nan 0.000 0.442 43 R N -0.054 120.033 120.500 -0.688 0.000 2.081 43 R HA -0.143 4.205 4.340 0.012 0.000 0.235 43 R C 2.092 178.132 176.300 -0.434 0.000 1.131 43 R CA 2.181 57.939 56.100 -0.570 0.000 0.960 43 R CB -0.520 29.309 30.300 -0.785 0.000 0.856 43 R HN 0.621 nan 8.270 nan 0.000 0.436 44 T N -2.592 111.721 114.554 -0.403 0.000 3.113 44 T HA -0.014 4.343 4.350 0.012 0.000 0.256 44 T C 0.432 175.041 174.700 -0.152 0.000 1.131 44 T CA 0.711 62.668 62.100 -0.238 0.000 1.074 44 T CB -0.046 68.710 68.868 -0.187 0.000 0.944 44 T HN 0.405 nan 8.240 nan 0.000 0.516 45 D N 0.646 120.913 120.400 -0.222 0.000 2.870 45 D HA -0.156 4.492 4.640 0.012 0.000 0.228 45 D C 0.054 176.471 176.300 0.194 0.000 1.147 45 D CA 0.410 54.431 54.000 0.036 0.000 0.757 45 D CB -1.166 39.708 40.800 0.123 0.000 1.091 45 D HN 0.593 nan 8.370 nan 0.000 0.429 46 R N -0.014 120.562 120.500 0.126 0.000 2.649 46 R HA 0.495 4.843 4.340 0.012 0.000 0.270 46 R C -2.065 174.502 176.300 0.444 0.000 1.105 46 R CA -1.310 54.919 56.100 0.215 0.000 1.193 46 R CB 0.136 30.503 30.300 0.111 0.000 1.120 46 R HN 0.074 nan 8.270 nan 0.000 0.561 47 P HA -0.030 nan 4.420 nan 0.000 0.270 47 P C -0.789 176.669 177.300 0.264 0.000 1.223 47 P CA 0.078 63.321 63.100 0.238 0.000 0.785 47 P CB 0.734 32.522 31.700 0.147 0.000 0.923 48 S N 0.919 116.643 115.700 0.041 0.000 2.472 48 S HA 0.158 4.635 4.470 0.012 0.000 0.303 48 S C 0.842 175.454 174.600 0.021 0.000 1.099 48 S CA -0.514 57.645 58.200 -0.069 0.000 1.077 48 S CB 0.700 63.522 63.200 -0.630 0.000 1.031 48 S HN 0.206 nan 8.310 nan 0.000 0.487 49 Q N 2.256 122.106 119.800 0.083 0.000 2.364 49 Q HA -0.003 4.345 4.340 0.012 0.000 0.207 49 Q C 0.924 177.047 176.000 0.205 0.000 0.970 49 Q CA 1.208 57.096 55.803 0.141 0.000 0.888 49 Q CB -0.114 28.709 28.738 0.142 0.000 0.951 49 Q HN 0.699 nan 8.270 nan 0.000 0.469 50 Q N -0.447 119.386 119.800 0.056 0.000 2.403 50 Q HA 0.118 4.466 4.340 0.012 0.000 0.203 50 Q C -0.279 175.760 176.000 0.064 0.000 0.932 50 Q CA 0.117 55.900 55.803 -0.033 0.000 0.945 50 Q CB 0.371 28.999 28.738 -0.184 0.000 1.045 50 Q HN 0.025 nan 8.270 nan 0.000 0.511 51 L N 0.534 121.820 121.223 0.103 0.000 2.388 51 L HA 0.441 4.788 4.340 0.012 0.000 0.267 51 L C -1.185 175.772 176.870 0.145 0.000 0.995 51 L CA -0.441 54.460 54.840 0.102 0.000 0.864 51 L CB 1.018 43.044 42.059 -0.055 0.000 1.216 51 L HN -0.115 nan 8.230 nan 0.000 0.430 52 R N 2.202 122.828 120.500 0.210 0.000 2.598 52 R HA 0.644 4.991 4.340 0.012 0.000 0.279 52 R C -0.441 175.888 176.300 0.048 0.000 0.984 52 R CA -0.693 55.472 56.100 0.109 0.000 0.999 52 R CB 1.885 32.215 30.300 0.050 0.000 1.114 52 R HN 0.656 nan 8.270 nan 0.000 0.493 53 S N 1.633 117.349 115.700 0.027 0.000 2.508 53 S HA 0.298 4.776 4.470 0.012 0.000 0.284 53 S C 0.528 175.128 174.600 0.000 0.000 1.192 53 S CA -0.694 57.512 58.200 0.011 0.000 1.070 53 S CB 0.614 63.830 63.200 0.027 0.000 1.004 53 S HN 0.559 nan 8.310 nan 0.000 0.493 54 L N 3.433 124.651 121.223 -0.009 0.000 2.769 54 L HA 0.298 4.645 4.340 0.012 0.000 0.240 54 L C 0.208 177.208 176.870 0.216 0.000 1.163 54 L CA -0.348 54.503 54.840 0.018 0.000 0.962 54 L CB -0.269 41.731 42.059 -0.097 0.000 1.258 54 L HN 0.527 nan 8.230 nan 0.000 0.513 55 N N 1.183 119.967 118.700 0.141 0.000 2.453 55 N HA 0.444 5.191 4.740 0.012 0.000 0.253 55 N C 0.647 176.289 175.510 0.220 0.000 1.252 55 N CA 1.057 54.203 53.050 0.160 0.000 0.917 55 N CB 1.134 39.650 38.487 0.049 0.000 1.117 55 N HN 0.287 nan 8.380 nan 0.000 0.442 56 G N 0.201 109.149 108.800 0.246 0.000 2.288 56 G HA2 -0.067 3.900 3.960 0.012 0.000 0.227 56 G HA3 -0.067 3.900 3.960 0.012 0.000 0.227 56 G C -1.542 173.566 174.900 0.346 0.000 1.339 56 G CA -0.787 44.450 45.100 0.228 0.000 1.057 56 G HN 0.464 nan 8.290 nan 0.000 0.470 57 E N 0.067 120.445 120.200 0.296 0.000 2.194 57 E HA 0.480 4.837 4.350 0.012 0.000 0.284 57 E C -0.988 175.870 176.600 0.431 0.000 1.035 57 E CA -0.186 56.404 56.400 0.318 0.000 0.836 57 E CB 1.004 30.809 29.700 0.175 0.000 1.070 57 E HN 0.361 nan 8.360 nan 0.000 0.401 58 W N 1.662 123.052 121.300 0.151 0.000 2.894 58 W HA 0.426 5.093 4.660 0.013 0.000 0.345 58 W C 0.019 176.666 176.519 0.213 0.000 1.152 58 W CA -0.772 56.694 57.345 0.201 0.000 1.089 58 W CB 0.790 30.425 29.460 0.291 0.000 1.454 58 W HN 0.173 nan 8.180 nan 0.000 0.589 59 R N 1.537 122.325 120.500 0.481 0.000 2.407 59 R HA 0.588 4.935 4.340 0.012 0.000 0.303 59 R C -1.500 175.037 176.300 0.396 0.000 0.981 59 R CA -0.875 55.437 56.100 0.352 0.000 0.905 59 R CB 1.197 31.650 30.300 0.256 0.000 1.099 59 R HN 0.486 nan 8.270 nan 0.000 0.459 60 F N 0.574 120.561 119.950 0.062 0.000 2.581 60 F HA 0.633 5.168 4.527 0.012 0.000 0.311 60 F C -1.531 174.109 175.800 -0.267 0.000 1.113 60 F CA -0.640 57.251 58.000 -0.182 0.000 0.935 60 F CB 2.004 40.791 39.000 -0.355 0.000 1.232 60 F HN 0.606 nan 8.300 nan 0.000 0.445 61 A N 4.775 126.834 122.820 -1.268 0.000 2.398 61 A HA 0.551 4.878 4.320 0.012 0.000 0.301 61 A C -2.298 174.375 177.584 -1.518 0.000 1.041 61 A CA -0.509 50.876 52.037 -1.088 0.000 0.711 61 A CB 0.636 19.292 19.000 -0.574 0.000 1.240 61 A HN 0.958 nan 8.150 nan 0.000 0.420 62 W N 3.099 123.571 121.300 -1.380 0.000 2.417 62 W HA 0.732 5.399 4.660 0.012 0.000 0.317 62 W C -1.751 174.104 176.519 -1.106 0.000 1.121 62 W CA -0.302 56.375 57.345 -1.114 0.000 1.208 62 W CB 0.918 30.007 29.460 -0.619 0.000 1.253 62 W HN 0.498 nan 8.180 nan 0.000 0.533 63 F N 6.071 125.382 119.950 -1.066 0.000 2.577 63 F HA 0.381 4.916 4.527 0.012 0.000 0.318 63 F C -1.303 173.604 175.800 -1.489 0.000 1.065 63 F CA -2.369 55.100 58.000 -0.886 0.000 0.929 63 F CB 1.773 40.401 39.000 -0.620 0.000 1.237 63 F HN 0.214 nan 8.300 nan 0.000 0.468 64 P HA 0.170 nan 4.420 nan 0.000 0.241 64 P C -0.434 176.722 177.300 -0.241 0.000 1.191 64 P CA 0.715 63.513 63.100 -0.504 0.000 0.771 64 P CB 0.736 32.451 31.700 0.025 0.000 0.929 65 A N -0.186 122.506 122.820 -0.213 0.000 2.590 65 A HA 0.484 4.811 4.320 0.012 0.000 0.294 65 A C -2.503 174.974 177.584 -0.179 0.000 1.046 65 A CA -0.879 51.086 52.037 -0.120 0.000 0.684 65 A CB 0.376 19.370 19.000 -0.009 0.000 1.279 65 A HN -0.301 nan 8.150 nan 0.000 0.415 66 P HA -0.100 nan 4.420 nan 0.000 0.220 66 P C 0.725 177.923 177.300 -0.170 0.000 1.148 66 P CA 1.430 64.386 63.100 -0.241 0.000 0.803 66 P CB 0.253 31.769 31.700 -0.306 0.000 0.782 67 E N 0.155 120.313 120.200 -0.069 0.000 2.333 67 E HA -0.051 4.306 4.350 0.012 0.000 0.198 67 E C 1.987 178.524 176.600 -0.106 0.000 1.007 67 E CA 1.158 57.532 56.400 -0.043 0.000 0.845 67 E CB -0.788 28.924 29.700 0.021 0.000 0.766 67 E HN 0.243 nan 8.360 nan 0.000 0.507 68 A N 0.299 123.025 122.820 -0.157 0.000 2.251 68 A HA 0.112 4.440 4.320 0.012 0.000 0.209 68 A C 0.638 177.954 177.584 -0.446 0.000 1.187 68 A CA -0.156 51.785 52.037 -0.159 0.000 0.823 68 A CB 0.322 19.324 19.000 0.004 0.000 0.846 68 A HN 0.033 nan 8.150 nan 0.000 0.486 69 V N 3.276 122.789 119.914 -0.668 0.000 2.455 69 V HA 0.209 4.336 4.120 0.012 0.000 0.273 69 V C -2.007 173.760 176.094 -0.544 0.000 1.045 69 V CA -1.470 60.186 62.300 -1.073 0.000 0.976 69 V CB 0.620 31.860 31.823 -0.971 0.000 0.993 69 V HN 0.367 nan 8.190 nan 0.000 0.475 70 P HA 0.111 nan 4.420 nan 0.000 0.275 70 P C 0.677 177.915 177.300 -0.102 0.000 1.227 70 P CA -0.277 62.716 63.100 -0.177 0.000 0.781 70 P CB 0.816 32.464 31.700 -0.085 0.000 0.906 71 E N 2.093 122.245 120.200 -0.079 0.000 2.333 71 E HA -0.158 4.200 4.350 0.012 0.000 0.198 71 E C 1.062 177.631 176.600 -0.052 0.000 1.007 71 E CA 1.394 57.751 56.400 -0.073 0.000 0.845 71 E CB -0.117 29.543 29.700 -0.067 0.000 0.766 71 E HN 0.462 nan 8.360 nan 0.000 0.507 72 S N 0.068 115.759 115.700 -0.015 0.000 2.423 72 S HA -0.173 4.304 4.470 0.012 0.000 0.231 72 S C 1.631 176.239 174.600 0.014 0.000 1.014 72 S CA 0.690 58.887 58.200 -0.004 0.000 0.965 72 S CB -1.010 62.198 63.200 0.014 0.000 0.785 72 S HN 0.613 nan 8.310 nan 0.000 0.495 73 W N 2.422 123.621 121.300 -0.168 0.000 2.387 73 W HA 0.050 4.717 4.660 0.012 0.000 0.272 73 W C 1.483 177.880 176.519 -0.203 0.000 1.224 73 W CA 0.748 57.991 57.345 -0.170 0.000 1.210 73 W CB -0.310 29.018 29.460 -0.219 0.000 1.125 73 W HN 0.269 nan 8.180 nan 0.000 0.572 74 L N 0.115 121.094 121.223 -0.407 0.000 2.156 74 L HA -0.113 4.234 4.340 0.012 0.000 0.208 74 L C 2.387 179.022 176.870 -0.392 0.000 1.095 74 L CA 1.111 55.563 54.840 -0.646 0.000 0.770 74 L CB -0.627 41.093 42.059 -0.564 0.000 0.914 74 L HN -0.098 nan 8.230 nan 0.000 0.439 75 E N -0.802 119.259 120.200 -0.231 0.000 2.307 75 E HA 0.051 4.409 4.350 0.012 0.000 0.195 75 E C 0.384 176.914 176.600 -0.116 0.000 0.975 75 E CA 0.496 56.815 56.400 -0.135 0.000 0.878 75 E CB 0.661 30.315 29.700 -0.076 0.000 0.845 75 E HN 0.503 nan 8.360 nan 0.000 0.488 76 C N -0.908 118.327 119.300 -0.107 0.000 3.239 76 C HA 0.449 4.917 4.460 0.012 0.000 0.317 76 C C -0.062 174.922 174.990 -0.010 0.000 1.310 76 C CA -1.541 57.441 59.018 -0.060 0.000 1.371 76 C CB 1.376 29.099 27.740 -0.027 0.000 1.714 76 C HN 0.155 nan 8.230 nan 0.000 0.473 77 D N 0.692 121.102 120.400 0.018 0.000 2.472 77 D HA 0.162 4.809 4.640 0.012 0.000 0.237 77 D C -0.525 175.849 176.300 0.123 0.000 1.141 77 D CA 0.465 54.520 54.000 0.091 0.000 0.875 77 D CB 0.646 41.487 40.800 0.069 0.000 1.192 77 D HN 0.607 nan 8.370 nan 0.000 0.450 78 L N 5.686 127.019 121.223 0.184 0.000 2.265 78 L HA 0.182 4.529 4.340 0.012 0.000 0.288 78 L C -1.173 175.751 176.870 0.090 0.000 1.058 78 L CA -1.631 53.292 54.840 0.138 0.000 0.809 78 L CB 1.352 43.500 42.059 0.149 0.000 1.179 78 L HN 0.364 nan 8.230 nan 0.000 0.429 79 P HA -0.229 nan 4.420 nan 0.000 0.216 79 P C 0.964 178.289 177.300 0.042 0.000 1.150 79 P CA 1.216 64.346 63.100 0.048 0.000 0.843 79 P CB 0.061 31.783 31.700 0.038 0.000 0.787 80 E N -0.130 120.090 120.200 0.034 0.000 2.511 80 E HA 0.068 4.426 4.350 0.012 0.000 0.196 80 E C 0.624 177.231 176.600 0.011 0.000 1.066 80 E CA -0.036 56.373 56.400 0.016 0.000 0.871 80 E CB -0.598 29.098 29.700 -0.007 0.000 0.863 80 E HN 0.063 nan 8.360 nan 0.000 0.520 81 A N 1.227 124.064 122.820 0.029 0.000 2.406 81 A HA 0.165 4.493 4.320 0.012 0.000 0.243 81 A C -0.207 177.423 177.584 0.077 0.000 1.082 81 A CA -0.146 51.907 52.037 0.027 0.000 0.786 81 A CB 0.317 19.362 19.000 0.074 0.000 1.029 81 A HN 0.114 nan 8.150 nan 0.000 0.495 82 D N -0.149 120.326 120.400 0.126 0.000 2.272 82 D HA 0.506 5.154 4.640 0.012 0.000 0.247 82 D C -0.513 175.900 176.300 0.189 0.000 0.990 82 D CA 0.070 54.171 54.000 0.169 0.000 0.931 82 D CB 1.419 42.377 40.800 0.264 0.000 1.195 82 D HN 0.392 nan 8.370 nan 0.000 0.477 83 T N 0.608 115.254 114.554 0.153 0.000 2.771 83 T HA 0.510 4.867 4.350 0.012 0.000 0.291 83 T C 0.134 174.925 174.700 0.153 0.000 0.954 83 T CA -0.533 61.666 62.100 0.165 0.000 1.045 83 T CB 0.634 69.575 68.868 0.123 0.000 0.917 83 T HN 0.261 nan 8.240 nan 0.000 0.484 84 V N 1.126 121.165 119.914 0.208 0.000 3.130 84 V HA 0.770 4.897 4.120 0.012 0.000 0.310 84 V C -0.301 175.908 176.094 0.192 0.000 1.158 84 V CA -1.092 61.287 62.300 0.131 0.000 1.029 84 V CB 1.647 33.556 31.823 0.144 0.000 1.057 84 V HN 0.517 nan 8.190 nan 0.000 0.436 85 V N 2.129 122.123 119.914 0.132 0.000 2.614 85 V HA 0.461 4.589 4.120 0.012 0.000 0.291 85 V C 0.096 176.262 176.094 0.119 0.000 1.049 85 V CA 0.059 62.443 62.300 0.139 0.000 1.038 85 V CB 1.347 33.219 31.823 0.080 0.000 0.980 85 V HN 0.748 nan 8.190 nan 0.000 0.481 86 V N 7.326 127.232 119.914 -0.014 0.000 2.604 86 V HA 0.463 4.591 4.120 0.012 0.000 0.305 86 V C -2.240 173.733 176.094 -0.201 0.000 1.043 86 V CA -1.740 60.403 62.300 -0.261 0.000 0.888 86 V CB 2.491 33.761 31.823 -0.923 0.000 0.995 86 V HN 0.765 nan 8.190 nan 0.000 0.429 87 P HA 0.403 nan 4.420 nan 0.000 0.274 87 P C -0.805 176.427 177.300 -0.113 0.000 1.231 87 P CA -0.040 62.937 63.100 -0.205 0.000 0.790 87 P CB 1.262 32.855 31.700 -0.178 0.000 0.951 88 S N 0.347 115.994 115.700 -0.089 0.000 2.595 88 S HA 0.403 4.880 4.470 0.012 0.000 0.270 88 S C -1.316 173.224 174.600 -0.099 0.000 1.145 88 S CA -1.039 57.098 58.200 -0.104 0.000 0.825 88 S CB 0.445 63.558 63.200 -0.144 0.000 1.107 88 S HN 0.359 nan 8.310 nan 0.000 0.461 89 N N 1.020 119.592 118.700 -0.212 0.000 2.424 89 N HA 0.427 5.175 4.740 0.012 0.000 0.271 89 N C 0.519 175.836 175.510 -0.321 0.000 0.985 89 N CA -0.843 52.050 53.050 -0.261 0.000 0.921 89 N CB 0.739 39.045 38.487 -0.302 0.000 1.149 89 N HN 0.856 nan 8.380 nan 0.000 0.492 90 W N 2.662 123.800 121.300 -0.270 0.000 2.364 90 W HA -0.111 4.557 4.660 0.013 0.000 0.281 90 W C 1.035 177.484 176.519 -0.117 0.000 1.219 90 W CA 0.836 58.002 57.345 -0.298 0.000 1.220 90 W CB -0.380 28.882 29.460 -0.330 0.000 1.127 90 W HN 0.508 nan 8.180 nan 0.000 0.556 91 Q N 0.509 120.246 119.800 -0.106 0.000 2.170 91 Q HA -0.147 4.201 4.340 0.012 0.000 0.203 91 Q C 2.212 178.129 176.000 -0.138 0.000 0.976 91 Q CA 2.111 57.858 55.803 -0.095 0.000 0.858 91 Q CB -0.616 27.951 28.738 -0.285 0.000 0.907 91 Q HN 0.281 nan 8.270 nan 0.000 0.433 92 M N -0.778 118.701 119.600 -0.202 0.000 2.460 92 M HA -0.092 4.396 4.480 0.012 0.000 0.263 92 M C 0.737 177.074 176.300 0.063 0.000 1.071 92 M CA 1.486 56.703 55.300 -0.140 0.000 1.096 92 M CB -0.696 31.811 32.600 -0.155 0.000 1.408 92 M HN 0.386 nan 8.290 nan 0.000 0.463 93 H N -0.797 118.269 119.070 -0.006 0.000 2.529 93 H HA 0.294 4.858 4.556 0.013 0.000 0.277 93 H C 1.244 176.435 175.328 -0.228 0.000 1.004 93 H CA 0.034 56.050 56.048 -0.053 0.000 1.167 93 H CB 0.307 30.126 29.762 0.095 0.000 1.445 93 H HN 0.566 nan 8.280 nan 0.000 0.554 94 G N 0.677 109.452 108.800 -0.042 0.000 2.148 94 G HA2 -0.378 3.590 3.960 0.012 0.000 0.254 94 G HA3 -0.378 3.590 3.960 0.012 0.000 0.254 94 G C 0.396 175.157 174.900 -0.232 0.000 0.981 94 G CA 0.416 45.432 45.100 -0.140 0.000 0.670 94 G HN 0.492 nan 8.290 nan 0.000 0.528 95 Y N 1.474 121.776 120.300 0.002 0.000 2.293 95 Y HA 0.234 4.791 4.550 0.012 0.000 0.291 95 Y C 1.681 177.364 175.900 -0.361 0.000 1.137 95 Y CA 1.630 59.627 58.100 -0.172 0.000 1.202 95 Y CB 0.195 38.614 38.460 -0.068 0.000 0.990 95 Y HN 0.666 nan 8.280 nan 0.000 0.537 96 D N -2.040 118.415 120.400 0.092 0.000 2.665 96 D HA 0.482 5.130 4.640 0.012 0.000 0.287 96 D C -1.227 175.139 176.300 0.110 0.000 1.266 96 D CA -0.828 53.217 54.000 0.076 0.000 0.830 96 D CB 0.743 41.706 40.800 0.271 0.000 1.356 96 D HN -0.052 nan 8.370 nan 0.000 0.437 97 A N 0.045 122.940 122.820 0.125 0.000 2.327 97 A HA 0.709 5.036 4.320 0.012 0.000 0.283 97 A C -2.335 175.259 177.584 0.018 0.000 1.127 97 A CA -1.136 50.945 52.037 0.074 0.000 0.810 97 A CB 0.096 19.216 19.000 0.200 0.000 1.066 97 A HN 0.539 nan 8.150 nan 0.000 0.492 98 P HA 0.483 nan 4.420 nan 0.000 0.277 98 P C -0.909 176.572 177.300 0.303 0.000 1.240 98 P CA -0.038 63.008 63.100 -0.091 0.000 0.798 98 P CB 0.805 32.205 31.700 -0.501 0.000 0.979 99 I N 1.782 122.637 120.570 0.474 0.000 2.465 99 I HA 0.258 4.435 4.170 0.012 0.000 0.291 99 I C -0.601 175.722 176.117 0.342 0.000 1.014 99 I CA -0.969 60.602 61.300 0.452 0.000 1.093 99 I CB 1.669 39.855 38.000 0.312 0.000 1.267 99 I HN 0.277 nan 8.210 nan 0.000 0.431 100 Y N 6.056 126.276 120.300 -0.133 0.000 2.491 100 Y HA 0.524 5.081 4.550 0.012 0.000 0.334 100 Y C -0.355 175.379 175.900 -0.277 0.000 0.969 100 Y CA -0.563 57.158 58.100 -0.632 0.000 1.241 100 Y CB 1.072 38.677 38.460 -1.425 0.000 1.105 100 Y HN 0.535 nan 8.280 nan 0.000 0.503 101 T N 5.458 119.499 114.554 -0.855 0.000 2.886 101 T HA 0.252 4.609 4.350 0.012 0.000 0.292 101 T C 0.250 174.482 174.700 -0.779 0.000 1.012 101 T CA -0.599 61.046 62.100 -0.758 0.000 0.982 101 T CB 1.026 69.681 68.868 -0.356 0.000 1.018 101 T HN 0.760 nan 8.240 nan 0.000 0.451 102 N N 3.021 121.293 118.700 -0.712 0.000 2.202 102 N HA 0.031 4.778 4.740 0.012 0.000 0.191 102 N C 1.546 176.805 175.510 -0.419 0.000 1.054 102 N CA 1.569 54.343 53.050 -0.459 0.000 0.877 102 N CB -0.573 37.662 38.487 -0.419 0.000 1.057 102 N HN 0.404 nan 8.380 nan 0.000 0.456 103 V N 0.342 119.941 119.914 -0.526 0.000 2.436 103 V HA 0.109 4.237 4.120 0.012 0.000 0.240 103 V C 0.423 176.214 176.094 -0.504 0.000 1.040 103 V CA 0.842 62.759 62.300 -0.638 0.000 1.052 103 V CB -0.705 30.617 31.823 -0.835 0.000 0.707 103 V HN 0.311 nan 8.190 nan 0.000 0.469 104 T N 1.062 115.383 114.554 -0.389 0.000 2.908 104 T HA 0.124 4.481 4.350 0.012 0.000 0.301 104 T C -0.354 174.211 174.700 -0.225 0.000 1.019 104 T CA 0.291 62.239 62.100 -0.253 0.000 1.152 104 T CB -0.216 68.534 68.868 -0.197 0.000 0.966 104 T HN 0.175 nan 8.240 nan 0.000 0.540 105 Y N 4.657 124.862 120.300 -0.158 0.000 2.578 105 Y HA 0.113 4.671 4.550 0.012 0.000 0.339 105 Y C -0.769 175.007 175.900 -0.207 0.000 1.231 105 Y CA -1.629 56.369 58.100 -0.171 0.000 1.461 105 Y CB 0.488 38.845 38.460 -0.172 0.000 1.323 105 Y HN 0.516 nan 8.280 nan 0.000 0.590 106 P HA -0.019 nan 4.420 nan 0.000 0.241 106 P C -0.280 176.795 177.300 -0.375 0.000 1.191 106 P CA 1.116 64.106 63.100 -0.182 0.000 0.771 106 P CB 0.057 31.674 31.700 -0.137 0.000 0.929 107 I N -5.088 115.241 120.570 -0.402 0.000 2.957 107 I HA 0.487 4.665 4.170 0.012 0.000 0.310 107 I C -0.541 175.451 176.117 -0.210 0.000 1.063 107 I CA -1.210 59.829 61.300 -0.435 0.000 1.033 107 I CB 1.706 39.306 38.000 -0.667 0.000 1.230 107 I HN -0.464 nan 8.210 nan 0.000 0.447 108 T N 3.002 117.472 114.554 -0.140 0.000 2.908 108 T HA 0.120 4.477 4.350 0.012 0.000 0.301 108 T C 0.217 174.905 174.700 -0.020 0.000 1.019 108 T CA -0.151 61.918 62.100 -0.053 0.000 1.152 108 T CB 0.405 69.263 68.868 -0.017 0.000 0.966 108 T HN 0.374 nan 8.240 nan 0.000 0.540 109 V N 5.272 125.189 119.914 0.005 0.000 2.381 109 V HA 0.215 4.342 4.120 0.012 0.000 0.257 109 V C 0.738 176.876 176.094 0.073 0.000 1.057 109 V CA -0.144 62.177 62.300 0.035 0.000 1.013 109 V CB -0.219 31.610 31.823 0.011 0.000 1.069 109 V HN 0.878 nan 8.190 nan 0.000 0.484 110 N N 5.890 124.689 118.700 0.165 0.000 2.679 110 N HA 0.228 4.976 4.740 0.012 0.000 0.240 110 N C -2.925 172.666 175.510 0.134 0.000 1.537 110 N CA -1.156 51.982 53.050 0.146 0.000 0.793 110 N CB 1.341 39.954 38.487 0.209 0.000 1.391 110 N HN 0.282 nan 8.380 nan 0.000 0.524 111 P HA 0.170 nan 4.420 nan 0.000 0.265 111 P C -2.246 174.841 177.300 -0.355 0.000 1.193 111 P CA -0.633 62.033 63.100 -0.723 0.000 0.765 111 P CB 0.581 31.699 31.700 -0.970 0.000 0.823 112 P HA 0.230 nan 4.420 nan 0.000 0.269 112 P C -0.397 176.777 177.300 -0.211 0.000 1.478 112 P CA -0.292 62.595 63.100 -0.355 0.000 1.045 112 P CB 0.032 31.493 31.700 -0.398 0.000 1.512 113 F N 0.988 121.046 119.950 0.181 0.000 2.380 113 F HA 0.304 4.839 4.527 0.013 0.000 0.325 113 F C 1.386 177.358 175.800 0.286 0.000 1.136 113 F CA -0.771 57.350 58.000 0.201 0.000 1.171 113 F CB 0.755 39.820 39.000 0.109 0.000 1.230 113 F HN -0.219 nan 8.300 nan 0.000 0.554 114 V N -0.835 119.354 119.914 0.458 0.000 3.113 114 V HA 0.689 4.817 4.120 0.012 0.000 0.316 114 V C -2.751 173.503 176.094 0.266 0.000 1.125 114 V CA -2.918 59.574 62.300 0.321 0.000 1.026 114 V CB 1.304 33.368 31.823 0.403 0.000 1.080 114 V HN 0.473 nan 8.190 nan 0.000 0.444 115 P HA 0.196 nan 4.420 nan 0.000 0.267 115 P C 1.038 178.468 177.300 0.218 0.000 1.200 115 P CA 0.479 63.665 63.100 0.143 0.000 0.772 115 P CB 0.587 32.351 31.700 0.106 0.000 0.855 116 T N -1.656 113.001 114.554 0.172 0.000 2.951 116 T HA -0.053 4.304 4.350 0.012 0.000 0.268 116 T C 0.604 175.411 174.700 0.178 0.000 1.073 116 T CA 0.784 62.993 62.100 0.183 0.000 1.134 116 T CB -0.330 68.613 68.868 0.125 0.000 0.884 116 T HN 0.230 nan 8.240 nan 0.000 0.479 117 E N 3.153 123.457 120.200 0.174 0.000 1.996 117 E HA 0.360 4.717 4.350 0.012 0.000 0.280 117 E C -0.730 176.029 176.600 0.265 0.000 1.092 117 E CA -0.153 56.358 56.400 0.186 0.000 0.862 117 E CB 0.308 30.120 29.700 0.187 0.000 1.066 117 E HN 0.371 nan 8.360 nan 0.000 0.396 118 N N 3.973 122.803 118.700 0.216 0.000 2.577 118 N HA 0.270 5.018 4.740 0.012 0.000 0.275 118 N C -2.924 172.609 175.510 0.038 0.000 1.091 118 N CA -2.289 50.924 53.050 0.273 0.000 0.843 118 N CB 1.347 39.986 38.487 0.253 0.000 1.295 118 N HN -0.064 nan 8.380 nan 0.000 0.530 119 P HA 0.022 nan 4.420 nan 0.000 0.260 119 P C -0.839 176.358 177.300 -0.172 0.000 1.172 119 P CA 0.538 63.563 63.100 -0.125 0.000 0.760 119 P CB 0.399 32.342 31.700 0.404 0.000 0.773 120 T N 2.878 117.068 114.554 -0.607 0.000 2.812 120 T HA 0.546 4.904 4.350 0.012 0.000 0.282 120 T C 0.258 174.464 174.700 -0.823 0.000 0.990 120 T CA -0.564 61.253 62.100 -0.472 0.000 0.960 120 T CB 1.516 70.140 68.868 -0.406 0.000 0.948 120 T HN 0.324 nan 8.240 nan 0.000 0.438 121 G N 1.163 109.532 108.800 -0.718 0.000 2.347 121 G HA2 0.461 4.429 3.960 0.012 0.000 0.314 121 G HA3 0.461 4.429 3.960 0.012 0.000 0.314 121 G C -0.194 174.460 174.900 -0.411 0.000 1.126 121 G CA -0.337 44.228 45.100 -0.892 0.000 0.929 121 G HN 0.864 nan 8.290 nan 0.000 0.441 122 C N 3.499 122.321 119.300 -0.797 0.000 2.203 122 C HA 0.458 4.926 4.460 0.012 0.000 0.325 122 C C -0.410 174.520 174.990 -0.100 0.000 1.156 122 C CA -0.882 57.802 59.018 -0.556 0.000 1.597 122 C CB -1.785 25.197 27.740 -1.263 0.000 2.148 122 C HN 0.634 nan 8.230 nan 0.000 0.472 123 Y N 1.911 122.467 120.300 0.428 0.000 2.419 123 Y HA 0.654 5.212 4.550 0.013 0.000 0.328 123 Y C 0.818 177.152 175.900 0.723 0.000 1.162 123 Y CA -0.125 58.334 58.100 0.598 0.000 1.174 123 Y CB 1.502 40.318 38.460 0.594 0.000 1.228 123 Y HN 0.665 nan 8.280 nan 0.000 0.473 124 S N 1.828 118.001 115.700 0.789 0.000 2.570 124 S HA 0.806 5.283 4.470 0.012 0.000 0.270 124 S C -1.949 172.730 174.600 0.132 0.000 1.149 124 S CA -0.828 57.619 58.200 0.411 0.000 0.837 124 S CB 2.135 65.470 63.200 0.226 0.000 1.124 124 S HN 0.645 nan 8.310 nan 0.000 0.465 125 L N 0.664 121.789 121.223 -0.163 0.000 2.526 125 L HA 0.706 5.053 4.340 0.012 0.000 0.263 125 L C -1.231 175.594 176.870 -0.075 0.000 0.943 125 L CA 0.129 54.718 54.840 -0.418 0.000 0.859 125 L CB 2.262 43.493 42.059 -1.380 0.000 1.313 125 L HN 0.900 nan 8.230 nan 0.000 0.406 126 T N 5.708 120.245 114.554 -0.028 0.000 2.749 126 T HA 0.746 5.104 4.350 0.012 0.000 0.287 126 T C -0.782 173.977 174.700 0.099 0.000 0.970 126 T CA 0.008 62.128 62.100 0.034 0.000 0.980 126 T CB 0.233 69.083 68.868 -0.030 0.000 0.924 126 T HN 0.469 nan 8.240 nan 0.000 0.456 127 F N 1.101 120.954 119.950 -0.162 0.000 2.685 127 F HA 0.757 5.292 4.527 0.013 0.000 0.315 127 F C -0.761 174.962 175.800 -0.129 0.000 1.126 127 F CA -1.580 56.326 58.000 -0.157 0.000 0.950 127 F CB 1.423 40.308 39.000 -0.192 0.000 1.360 127 F HN 0.362 nan 8.300 nan 0.000 0.469 128 N N 0.197 118.800 118.700 -0.161 0.000 2.443 128 N HA 0.638 5.385 4.740 0.012 0.000 0.295 128 N C -1.982 173.379 175.510 -0.248 0.000 1.076 128 N CA -0.486 52.412 53.050 -0.253 0.000 0.919 128 N CB 2.034 40.438 38.487 -0.140 0.000 1.176 128 N HN 0.649 nan 8.380 nan 0.000 0.487 129 V N 2.278 122.018 119.914 -0.289 0.000 2.483 129 V HA 0.263 4.390 4.120 0.012 0.000 0.297 129 V C -0.634 175.324 176.094 -0.227 0.000 1.027 129 V CA -0.950 61.187 62.300 -0.272 0.000 0.855 129 V CB 1.397 33.124 31.823 -0.159 0.000 0.995 129 V HN 0.716 nan 8.190 nan 0.000 0.424 130 D N 2.562 122.768 120.400 -0.324 0.000 2.414 130 D HA 0.064 4.711 4.640 0.012 0.000 0.242 130 D C 1.162 177.442 176.300 -0.033 0.000 1.129 130 D CA 0.271 54.168 54.000 -0.173 0.000 0.885 130 D CB 1.434 42.110 40.800 -0.206 0.000 1.198 130 D HN 0.761 nan 8.370 nan 0.000 0.437 131 E N 0.927 121.127 120.200 -0.000 0.000 2.171 131 E HA -0.231 4.127 4.350 0.012 0.000 0.197 131 E C 1.650 178.312 176.600 0.103 0.000 0.997 131 E CA 1.656 58.082 56.400 0.044 0.000 0.810 131 E CB 0.150 29.865 29.700 0.026 0.000 0.738 131 E HN 0.470 nan 8.360 nan 0.000 0.467 132 S N -0.758 115.016 115.700 0.123 0.000 2.419 132 S HA -0.174 4.303 4.470 0.012 0.000 0.233 132 S C 1.515 176.225 174.600 0.182 0.000 1.016 132 S CA 0.882 59.164 58.200 0.136 0.000 0.974 132 S CB -0.626 62.649 63.200 0.125 0.000 0.786 132 S HN 0.415 nan 8.310 nan 0.000 0.492 133 W N 1.557 122.806 121.300 -0.085 0.000 2.595 133 W HA 0.356 5.023 4.660 0.013 0.000 0.257 133 W C 1.779 178.376 176.519 0.130 0.000 1.267 133 W CA -0.104 57.199 57.345 -0.070 0.000 1.300 133 W CB -0.423 29.067 29.460 0.050 0.000 1.120 133 W HN 0.313 nan 8.180 nan 0.000 0.618 134 L N -0.148 121.254 121.223 0.299 0.000 2.554 134 L HA 0.029 4.377 4.340 0.012 0.000 0.225 134 L C 2.119 179.076 176.870 0.146 0.000 1.104 134 L CA 0.358 55.325 54.840 0.213 0.000 0.866 134 L CB -0.400 41.750 42.059 0.151 0.000 1.047 134 L HN -0.076 nan 8.230 nan 0.000 0.468 135 Q N 1.019 120.894 119.800 0.125 0.000 2.311 135 Q HA -0.013 4.334 4.340 0.012 0.000 0.203 135 Q C 0.283 176.332 176.000 0.083 0.000 0.954 135 Q CA 0.681 56.533 55.803 0.082 0.000 0.885 135 Q CB 0.410 29.183 28.738 0.058 0.000 0.963 135 Q HN 0.652 nan 8.270 nan 0.000 0.471 136 E N -1.666 118.607 120.200 0.122 0.000 2.423 136 E HA 0.485 4.842 4.350 0.012 0.000 0.280 136 E C -0.143 176.573 176.600 0.194 0.000 1.030 136 E CA -0.392 56.077 56.400 0.116 0.000 0.812 136 E CB 1.265 31.014 29.700 0.081 0.000 1.313 136 E HN 0.038 nan 8.360 nan 0.000 0.456 137 G N 0.818 109.663 108.800 0.075 0.000 2.645 137 G HA2 -0.292 3.675 3.960 0.012 0.000 0.246 137 G HA3 -0.292 3.675 3.960 0.012 0.000 0.246 137 G C -0.668 174.140 174.900 -0.154 0.000 1.322 137 G CA 0.276 45.332 45.100 -0.074 0.000 0.898 137 G HN 0.785 nan 8.290 nan 0.000 0.573 138 Q N -0.618 118.934 119.800 -0.414 0.000 2.353 138 Q HA 0.644 4.992 4.340 0.012 0.000 0.268 138 Q C -1.052 174.771 176.000 -0.295 0.000 1.045 138 Q CA -0.468 55.192 55.803 -0.239 0.000 0.811 138 Q CB 1.665 30.307 28.738 -0.160 0.000 1.305 138 Q HN 0.621 nan 8.270 nan 0.000 0.447 139 T N 4.744 119.300 114.554 0.003 0.000 2.791 139 T HA 0.491 4.849 4.350 0.012 0.000 0.288 139 T C -0.720 174.090 174.700 0.182 0.000 0.999 139 T CA -0.666 61.537 62.100 0.171 0.000 0.952 139 T CB 0.592 69.713 68.868 0.422 0.000 0.938 139 T HN 0.645 nan 8.240 nan 0.000 0.444 140 R N 2.838 123.435 120.500 0.162 0.000 2.803 140 R HA 0.796 5.143 4.340 0.012 0.000 0.276 140 R C -1.143 175.254 176.300 0.162 0.000 0.978 140 R CA -0.981 55.213 56.100 0.157 0.000 0.939 140 R CB 1.569 31.934 30.300 0.109 0.000 1.179 140 R HN 0.567 nan 8.270 nan 0.000 0.472 141 I N 2.372 123.041 120.570 0.166 0.000 2.525 141 I HA 0.466 4.643 4.170 0.012 0.000 0.301 141 I C -1.094 175.066 176.117 0.072 0.000 0.992 141 I CA -1.325 60.022 61.300 0.078 0.000 1.162 141 I CB 1.447 39.488 38.000 0.069 0.000 1.332 141 I HN 0.635 nan 8.210 nan 0.000 0.458 142 I N 6.889 127.396 120.570 -0.105 0.000 2.447 142 I HA 0.292 4.469 4.170 0.012 0.000 0.287 142 I C -1.336 174.619 176.117 -0.270 0.000 1.023 142 I CA -0.334 60.922 61.300 -0.074 0.000 1.083 142 I CB 1.577 39.548 38.000 -0.048 0.000 1.245 142 I HN 0.375 nan 8.210 nan 0.000 0.434 143 F N 4.514 124.452 119.950 -0.020 0.000 2.308 143 F HA 0.276 4.810 4.527 0.012 0.000 0.370 143 F C 1.300 176.989 175.800 -0.185 0.000 1.100 143 F CA -0.474 57.442 58.000 -0.140 0.000 1.108 143 F CB 0.791 39.665 39.000 -0.211 0.000 1.293 143 F HN 0.463 nan 8.300 nan 0.000 0.478 144 D N 2.389 122.709 120.400 -0.135 0.000 2.263 144 D HA 0.022 4.669 4.640 0.012 0.000 0.208 144 D C 0.998 177.137 176.300 -0.268 0.000 0.971 144 D CA 0.931 54.810 54.000 -0.202 0.000 0.867 144 D CB 0.370 40.992 40.800 -0.297 0.000 0.929 144 D HN 0.629 nan 8.370 nan 0.000 0.492 145 G N -0.440 108.143 108.800 -0.361 0.000 2.505 145 G HA2 0.423 4.391 3.960 0.012 0.000 0.292 145 G HA3 0.423 4.391 3.960 0.012 0.000 0.292 145 G C -1.448 173.195 174.900 -0.429 0.000 1.332 145 G CA -0.437 44.327 45.100 -0.560 0.000 1.286 145 G HN -0.051 nan 8.290 nan 0.000 0.606 146 V N 2.607 122.486 119.914 -0.058 0.000 2.525 146 V HA 0.548 4.676 4.120 0.012 0.000 0.299 146 V C -0.864 175.326 176.094 0.161 0.000 1.034 146 V CA -1.169 61.100 62.300 -0.052 0.000 0.863 146 V CB 1.986 33.511 31.823 -0.497 0.000 0.999 146 V HN 0.691 nan 8.190 nan 0.000 0.423 147 N N 2.445 121.227 118.700 0.138 0.000 2.443 147 N HA 0.335 5.083 4.740 0.012 0.000 0.269 147 N C 0.550 175.998 175.510 -0.104 0.000 0.985 147 N CA 0.144 53.178 53.050 -0.027 0.000 0.921 147 N CB 2.230 40.528 38.487 -0.315 0.000 1.195 147 N HN 0.688 nan 8.380 nan 0.000 0.492 148 S N 1.822 117.500 115.700 -0.036 0.000 2.526 148 S HA 0.577 5.055 4.470 0.012 0.000 0.220 148 S C 0.282 174.948 174.600 0.109 0.000 1.017 148 S CA 0.004 58.232 58.200 0.047 0.000 0.930 148 S CB 0.374 63.616 63.200 0.071 0.000 0.856 148 S HN 0.648 nan 8.310 nan 0.000 0.497 149 A N 0.912 123.808 122.820 0.126 0.000 2.604 149 A HA 0.755 5.082 4.320 0.012 0.000 0.295 149 A C -1.279 176.383 177.584 0.129 0.000 1.067 149 A CA -0.983 51.083 52.037 0.049 0.000 0.683 149 A CB 0.849 19.928 19.000 0.132 0.000 1.281 149 A HN 1.076 nan 8.150 nan 0.000 0.407 150 F N -0.266 119.470 119.950 -0.357 0.000 2.678 150 F HA 0.755 5.290 4.527 0.012 0.000 0.308 150 F C -1.086 174.577 175.800 -0.229 0.000 1.118 150 F CA -0.793 57.102 58.000 -0.176 0.000 0.959 150 F CB 1.199 40.095 39.000 -0.174 0.000 1.305 150 F HN 0.625 nan 8.300 nan 0.000 0.443 151 H N 2.006 121.208 119.070 0.220 0.000 2.499 151 H HA 0.708 5.271 4.556 0.013 0.000 0.340 151 H C -1.407 173.850 175.328 -0.119 0.000 1.148 151 H CA -0.744 55.293 56.048 -0.018 0.000 1.215 151 H CB 2.538 32.273 29.762 -0.046 0.000 1.529 151 H HN 0.802 nan 8.280 nan 0.000 0.510 152 L N 2.682 123.631 121.223 -0.457 0.000 2.385 152 L HA 0.402 4.750 4.340 0.012 0.000 0.273 152 L C -1.608 174.899 176.870 -0.605 0.000 0.990 152 L CA -0.474 54.157 54.840 -0.349 0.000 0.821 152 L CB 1.504 43.254 42.059 -0.516 0.000 1.279 152 L HN 0.508 nan 8.230 nan 0.000 0.412 153 W N 4.331 125.562 121.300 -0.115 0.000 2.761 153 W HA 0.615 5.283 4.660 0.013 0.000 0.340 153 W C -1.093 175.346 176.519 -0.134 0.000 1.072 153 W CA -0.832 56.443 57.345 -0.117 0.000 1.215 153 W CB 2.051 31.485 29.460 -0.044 0.000 1.420 153 W HN 0.614 nan 8.180 nan 0.000 0.519 154 C N 4.454 123.815 119.300 0.102 0.000 2.431 154 C HA 0.302 4.769 4.460 0.012 0.000 0.321 154 C C 0.206 175.313 174.990 0.195 0.000 1.202 154 C CA -0.380 58.703 59.018 0.107 0.000 1.398 154 C CB -0.349 27.387 27.740 -0.007 0.000 2.047 154 C HN 0.808 nan 8.230 nan 0.000 0.465 155 N N 3.530 122.307 118.700 0.128 0.000 2.727 155 N HA -0.189 4.558 4.740 0.012 0.000 0.249 155 N C 0.995 176.568 175.510 0.105 0.000 1.048 155 N CA 2.013 55.118 53.050 0.091 0.000 0.714 155 N CB -1.281 37.269 38.487 0.105 0.000 0.959 155 N HN 1.854 nan 8.380 nan 0.000 0.544 156 G N -1.190 107.658 108.800 0.080 0.000 2.189 156 G HA2 -0.384 3.583 3.960 0.012 0.000 0.267 156 G HA3 -0.384 3.583 3.960 0.012 0.000 0.267 156 G C 0.212 175.265 174.900 0.253 0.000 0.975 156 G CA 0.804 45.945 45.100 0.068 0.000 0.644 156 G HN 0.589 nan 8.290 nan 0.000 0.537 157 R N -1.146 119.575 120.500 0.368 0.000 2.460 157 R HA 0.423 4.771 4.340 0.012 0.000 0.303 157 R C -0.285 176.340 176.300 0.542 0.000 0.968 157 R CA -0.986 55.406 56.100 0.486 0.000 0.889 157 R CB 0.844 31.438 30.300 0.491 0.000 1.123 157 R HN 0.209 nan 8.270 nan 0.000 0.455 158 W N 4.104 125.583 121.300 0.298 0.000 2.308 158 W HA 0.047 4.715 4.660 0.012 0.000 0.324 158 W C 0.064 176.501 176.519 -0.136 0.000 1.387 158 W CA 0.100 57.334 57.345 -0.186 0.000 1.250 158 W CB 0.631 29.970 29.460 -0.201 0.000 1.257 158 W HN 0.349 nan 8.180 nan 0.000 0.554 159 V N 5.548 124.718 119.914 -1.240 0.000 2.599 159 V HA 0.526 4.653 4.120 0.012 0.000 0.237 159 V C 1.145 176.216 176.094 -1.704 0.000 1.081 159 V CA 1.179 62.711 62.300 -1.281 0.000 1.107 159 V CB -0.487 30.615 31.823 -1.202 0.000 0.808 159 V HN 0.804 nan 8.190 nan 0.000 0.486 160 G N -1.932 105.621 108.800 -2.079 0.000 2.341 160 G HA2 0.441 4.409 3.960 0.012 0.000 0.299 160 G HA3 0.441 4.409 3.960 0.012 0.000 0.299 160 G C -2.403 172.033 174.900 -0.773 0.000 1.274 160 G CA -0.227 44.017 45.100 -1.427 0.000 0.853 160 G HN 0.020 nan 8.290 nan 0.000 0.493 161 Y N -0.508 119.524 120.300 -0.446 0.000 2.562 161 Y HA 0.699 5.256 4.550 0.012 0.000 0.345 161 Y C -0.051 175.617 175.900 -0.387 0.000 1.045 161 Y CA 0.004 57.786 58.100 -0.530 0.000 1.028 161 Y CB 2.273 40.579 38.460 -0.258 0.000 1.297 161 Y HN 1.249 nan 8.280 nan 0.000 0.463 162 G N 3.524 111.484 108.800 -1.401 0.000 2.718 162 G HA2 0.583 4.550 3.960 0.012 0.000 0.295 162 G HA3 0.583 4.550 3.960 0.012 0.000 0.295 162 G C -2.141 172.320 174.900 -0.732 0.000 1.421 162 G CA -0.868 43.741 45.100 -0.819 0.000 0.902 162 G HN 0.602 nan 8.290 nan 0.000 0.501 163 Q N -0.207 119.415 119.800 -0.297 0.000 2.552 163 Q HA 0.592 4.939 4.340 0.012 0.000 0.289 163 Q C -1.403 174.608 176.000 0.018 0.000 1.097 163 Q CA -0.834 54.915 55.803 -0.089 0.000 0.812 163 Q CB 2.749 31.484 28.738 -0.004 0.000 1.460 163 Q HN 0.648 nan 8.270 nan 0.000 0.452 164 D N -0.157 120.288 120.400 0.075 0.000 4.303 164 D HA -0.094 4.554 4.640 0.012 0.000 0.230 164 D C -0.519 175.851 176.300 0.116 0.000 1.172 164 D CA 0.439 54.497 54.000 0.096 0.000 1.001 164 D CB -0.657 40.184 40.800 0.068 0.000 0.641 164 D HN 0.536 nan 8.370 nan 0.000 0.296 165 S N 3.084 118.866 115.700 0.137 0.000 2.547 165 S HA -0.062 4.416 4.470 0.012 0.000 0.235 165 S C 1.568 176.315 174.600 0.245 0.000 0.980 165 S CA 0.508 58.820 58.200 0.188 0.000 0.941 165 S CB 0.272 63.540 63.200 0.113 0.000 0.763 165 S HN 0.447 nan 8.310 nan 0.000 0.532 166 R N 0.126 120.727 120.500 0.168 0.000 2.508 166 R HA 0.444 4.792 4.340 0.012 0.000 0.300 166 R C -0.306 176.058 176.300 0.107 0.000 0.970 166 R CA 0.057 56.257 56.100 0.166 0.000 1.102 166 R CB 0.110 30.529 30.300 0.198 0.000 1.246 166 R HN 0.332 nan 8.270 nan 0.000 0.539 167 L N 1.336 122.595 121.223 0.059 0.000 2.350 167 L HA 0.517 4.865 4.340 0.012 0.000 0.260 167 L C -2.367 174.484 176.870 -0.032 0.000 1.015 167 L CA -2.306 52.538 54.840 0.005 0.000 0.821 167 L CB 2.910 44.963 42.059 -0.008 0.000 1.370 167 L HN -0.199 nan 8.230 nan 0.000 0.416 168 P HA 0.105 nan 4.420 nan 0.000 0.271 168 P C -1.020 176.244 177.300 -0.060 0.000 1.216 168 P CA -0.219 62.835 63.100 -0.077 0.000 0.776 168 P CB 1.113 32.731 31.700 -0.137 0.000 0.881 169 S N 1.985 117.708 115.700 0.038 0.000 2.456 169 S HA 0.294 4.772 4.470 0.012 0.000 0.316 169 S C -0.386 174.179 174.600 -0.059 0.000 1.089 169 S CA -0.597 57.596 58.200 -0.013 0.000 1.101 169 S CB 0.709 64.089 63.200 0.299 0.000 0.995 169 S HN 0.365 nan 8.310 nan 0.000 0.468 170 E N 2.298 122.269 120.200 -0.383 0.000 2.187 170 E HA 0.527 4.884 4.350 0.012 0.000 0.268 170 E C -1.409 174.849 176.600 -0.570 0.000 0.896 170 E CA -0.532 55.717 56.400 -0.251 0.000 0.766 170 E CB 1.636 31.285 29.700 -0.085 0.000 1.142 170 E HN 0.405 nan 8.360 nan 0.000 0.408 171 F N 0.822 120.828 119.950 0.093 0.000 2.556 171 F HA 0.191 4.725 4.527 0.013 0.000 0.314 171 F C 0.092 175.917 175.800 0.042 0.000 1.106 171 F CA -1.123 56.895 58.000 0.030 0.000 0.911 171 F CB 1.610 40.593 39.000 -0.028 0.000 1.190 171 F HN 0.297 nan 8.300 nan 0.000 0.448 172 D N 3.200 123.729 120.400 0.216 0.000 2.325 172 D HA 0.207 4.855 4.640 0.012 0.000 0.251 172 D C 0.257 176.703 176.300 0.244 0.000 1.196 172 D CA 0.267 54.379 54.000 0.187 0.000 0.866 172 D CB 0.985 41.877 40.800 0.153 0.000 1.101 172 D HN 0.580 nan 8.370 nan 0.000 0.476 173 L N 2.907 124.280 121.223 0.249 0.000 2.667 173 L HA 0.039 4.386 4.340 0.012 0.000 0.232 173 L C 2.051 179.166 176.870 0.409 0.000 1.138 173 L CA -0.177 54.863 54.840 0.334 0.000 0.921 173 L CB 0.048 42.256 42.059 0.249 0.000 1.180 173 L HN 0.292 nan 8.230 nan 0.000 0.487 174 S N 1.407 117.279 115.700 0.287 0.000 2.381 174 S HA -0.287 4.190 4.470 0.012 0.000 0.230 174 S C 2.010 176.715 174.600 0.174 0.000 1.052 174 S CA 1.896 60.220 58.200 0.207 0.000 1.068 174 S CB -0.143 63.135 63.200 0.130 0.000 0.918 174 S HN 0.578 nan 8.310 nan 0.000 0.448 175 A N -0.652 122.256 122.820 0.147 0.000 2.251 175 A HA 0.357 4.685 4.320 0.012 0.000 0.209 175 A C 1.281 178.761 177.584 -0.172 0.000 1.187 175 A CA 0.219 52.224 52.037 -0.053 0.000 0.823 175 A CB -0.376 18.511 19.000 -0.189 0.000 0.846 175 A HN 0.475 nan 8.150 nan 0.000 0.486 176 F N -0.675 119.317 119.950 0.070 0.000 2.731 176 F HA 0.374 4.909 4.527 0.012 0.000 0.298 176 F C 0.649 176.485 175.800 0.060 0.000 1.106 176 F CA -0.045 57.995 58.000 0.066 0.000 1.329 176 F CB 0.125 39.171 39.000 0.076 0.000 1.100 176 F HN -0.011 nan 8.300 nan 0.000 0.592 177 L N 0.604 121.976 121.223 0.248 0.000 2.400 177 L HA 0.572 4.920 4.340 0.012 0.000 0.264 177 L C 0.053 176.965 176.870 0.070 0.000 1.061 177 L CA -0.889 54.041 54.840 0.150 0.000 0.799 177 L CB 1.284 43.440 42.059 0.161 0.000 1.240 177 L HN -0.021 nan 8.230 nan 0.000 0.461 178 R N 0.602 121.107 120.500 0.008 0.000 2.808 178 R HA 0.805 5.152 4.340 0.012 0.000 0.272 178 R C -1.068 175.206 176.300 -0.042 0.000 0.995 178 R CA -0.925 55.169 56.100 -0.009 0.000 0.917 178 R CB 1.480 31.768 30.300 -0.021 0.000 1.217 178 R HN 0.553 nan 8.270 nan 0.000 0.471 179 A N 1.323 124.127 122.820 -0.027 0.000 2.531 179 A HA 0.450 4.777 4.320 0.012 0.000 0.236 179 A C 1.166 178.697 177.584 -0.088 0.000 1.062 179 A CA 1.134 53.144 52.037 -0.046 0.000 0.760 179 A CB -0.824 18.162 19.000 -0.024 0.000 0.995 179 A HN 1.397 nan 8.150 nan 0.000 0.501 180 G N 1.355 110.084 108.800 -0.119 0.000 2.509 180 G HA2 -0.199 3.768 3.960 0.012 0.000 0.256 180 G HA3 -0.199 3.768 3.960 0.012 0.000 0.256 180 G C -0.113 174.657 174.900 -0.217 0.000 1.152 180 G CA 0.256 45.271 45.100 -0.141 0.000 0.951 180 G HN 1.046 nan 8.290 nan 0.000 0.559 181 E N 1.936 122.019 120.200 -0.195 0.000 2.344 181 E HA 0.359 4.716 4.350 0.012 0.000 0.270 181 E C -0.011 176.397 176.600 -0.321 0.000 1.021 181 E CA 0.069 56.316 56.400 -0.255 0.000 0.887 181 E CB 0.385 29.985 29.700 -0.166 0.000 0.997 181 E HN 0.414 nan 8.360 nan 0.000 0.429 182 N N 2.416 120.784 118.700 -0.553 0.000 2.357 182 N HA 0.363 5.110 4.740 0.012 0.000 0.284 182 N C -1.040 174.229 175.510 -0.402 0.000 1.236 182 N CA -0.712 52.015 53.050 -0.539 0.000 0.774 182 N CB 2.481 40.467 38.487 -0.836 0.000 1.534 182 N HN 0.295 nan 8.380 nan 0.000 0.478 183 R N 1.690 122.134 120.500 -0.092 0.000 2.513 183 R HA 0.483 4.831 4.340 0.012 0.000 0.301 183 R C -1.120 175.268 176.300 0.147 0.000 0.968 183 R CA -0.486 55.646 56.100 0.053 0.000 0.872 183 R CB 0.982 31.261 30.300 -0.034 0.000 1.177 183 R HN 0.483 nan 8.270 nan 0.000 0.444 184 L N 2.922 124.263 121.223 0.196 0.000 2.379 184 L HA 0.739 5.086 4.340 0.012 0.000 0.269 184 L C -0.151 176.759 176.870 0.067 0.000 1.084 184 L CA -0.939 53.992 54.840 0.152 0.000 0.802 184 L CB 1.821 43.949 42.059 0.115 0.000 1.175 184 L HN 0.746 nan 8.230 nan 0.000 0.448 185 A N 2.480 125.346 122.820 0.077 0.000 2.375 185 A HA 0.720 5.047 4.320 0.012 0.000 0.295 185 A C -1.081 176.730 177.584 0.379 0.000 1.066 185 A CA -0.430 51.543 52.037 -0.106 0.000 0.722 185 A CB 1.549 19.967 19.000 -0.969 0.000 1.206 185 A HN 0.363 nan 8.150 nan 0.000 0.435 186 V N 3.492 123.809 119.914 0.671 0.000 2.407 186 V HA 0.479 4.606 4.120 0.012 0.000 0.291 186 V C -0.103 176.513 176.094 0.870 0.000 1.018 186 V CA -0.265 62.440 62.300 0.675 0.000 0.842 186 V CB 1.465 33.511 31.823 0.372 0.000 0.996 186 V HN 0.959 nan 8.190 nan 0.000 0.426 187 M N 6.162 126.298 119.600 0.893 0.000 2.066 187 M HA 0.578 5.066 4.480 0.012 0.000 0.340 187 M C -1.489 175.074 176.300 0.438 0.000 1.053 187 M CA -0.385 55.276 55.300 0.602 0.000 0.983 187 M CB 1.183 34.189 32.600 0.678 0.000 1.520 187 M HN 0.459 nan 8.290 nan 0.000 0.428 188 V N 6.842 126.968 119.914 0.353 0.000 2.370 188 V HA 0.382 4.510 4.120 0.012 0.000 0.279 188 V C -0.063 176.196 176.094 0.275 0.000 1.029 188 V CA -0.659 61.855 62.300 0.356 0.000 0.870 188 V CB 1.352 33.471 31.823 0.494 0.000 0.984 188 V HN 0.815 nan 8.190 nan 0.000 0.451 189 L N 4.936 126.253 121.223 0.156 0.000 2.292 189 L HA 0.490 4.838 4.340 0.012 0.000 0.284 189 L C 1.591 178.487 176.870 0.045 0.000 1.065 189 L CA -0.317 54.544 54.840 0.034 0.000 0.806 189 L CB 1.176 43.168 42.059 -0.111 0.000 1.175 189 L HN 0.657 nan 8.230 nan 0.000 0.431 190 R N 2.770 123.243 120.500 -0.043 0.000 2.075 190 R HA -0.042 4.305 4.340 0.012 0.000 0.232 190 R C -0.347 175.638 176.300 -0.525 0.000 1.126 190 R CA 1.067 56.905 56.100 -0.436 0.000 0.963 190 R CB 0.222 30.096 30.300 -0.709 0.000 0.858 190 R HN 0.560 nan 8.270 nan 0.000 0.435 191 W N 0.403 121.768 121.300 0.108 0.000 2.606 191 W HA 0.432 5.099 4.660 0.012 0.000 0.332 191 W C -0.347 176.288 176.519 0.193 0.000 1.052 191 W CA -0.803 56.613 57.345 0.117 0.000 1.223 191 W CB 1.806 31.338 29.460 0.119 0.000 1.383 191 W HN 0.022 nan 8.180 nan 0.000 0.524 192 S N -1.060 114.927 115.700 0.478 0.000 2.672 192 S HA 0.185 4.663 4.470 0.012 0.000 0.271 192 S C 0.074 174.931 174.600 0.428 0.000 1.171 192 S CA -0.444 58.054 58.200 0.497 0.000 0.817 192 S CB 1.129 64.599 63.200 0.449 0.000 1.150 192 S HN 0.619 nan 8.310 nan 0.000 0.478 193 D N 0.326 120.981 120.400 0.424 0.000 2.263 193 D HA 0.077 4.725 4.640 0.012 0.000 0.208 193 D C 1.723 178.330 176.300 0.512 0.000 0.971 193 D CA 1.167 55.459 54.000 0.486 0.000 0.867 193 D CB -0.693 40.262 40.800 0.258 0.000 0.929 193 D HN 0.704 nan 8.370 nan 0.000 0.492 194 G N 0.015 109.038 108.800 0.371 0.000 2.471 194 G HA2 -0.233 3.734 3.960 0.012 0.000 0.219 194 G HA3 -0.233 3.734 3.960 0.012 0.000 0.219 194 G C 1.683 176.774 174.900 0.318 0.000 1.125 194 G CA 0.626 45.920 45.100 0.324 0.000 0.775 194 G HN 0.306 nan 8.290 nan 0.000 0.548 195 S N 0.021 115.896 115.700 0.292 0.000 2.399 195 S HA -0.113 4.365 4.470 0.012 0.000 0.231 195 S C 1.890 176.594 174.600 0.174 0.000 1.022 195 S CA 0.780 59.117 58.200 0.227 0.000 0.983 195 S CB -0.405 62.932 63.200 0.228 0.000 0.803 195 S HN 0.559 nan 8.310 nan 0.000 0.480 196 Y N 1.154 121.585 120.300 0.218 0.000 2.497 196 Y HA 0.091 4.648 4.550 0.012 0.000 0.292 196 Y C 1.585 177.602 175.900 0.194 0.000 1.137 196 Y CA 0.582 58.731 58.100 0.082 0.000 1.285 196 Y CB -0.229 38.109 38.460 -0.204 0.000 0.991 196 Y HN 0.198 nan 8.280 nan 0.000 0.556 197 L N -0.284 121.145 121.223 0.343 0.000 2.667 197 L HA 0.136 4.483 4.340 0.012 0.000 0.232 197 L C 0.055 177.073 176.870 0.247 0.000 1.138 197 L CA 0.409 55.407 54.840 0.264 0.000 0.921 197 L CB 0.068 42.287 42.059 0.266 0.000 1.180 197 L HN 0.148 nan 8.230 nan 0.000 0.487 198 E N 0.036 120.395 120.200 0.265 0.000 3.846 198 E HA 0.041 4.398 4.350 0.012 0.000 0.216 198 E C -0.488 176.230 176.600 0.195 0.000 1.092 198 E CA -0.065 56.473 56.400 0.230 0.000 1.370 198 E CB 0.506 30.332 29.700 0.210 0.000 1.227 198 E HN 0.034 nan 8.360 nan 0.000 0.442 199 D N 1.119 121.595 120.400 0.127 0.000 2.706 199 D HA 0.036 4.683 4.640 0.012 0.000 0.236 199 D C -0.184 176.124 176.300 0.013 0.000 1.231 199 D CA -0.126 53.839 54.000 -0.059 0.000 0.828 199 D CB 0.153 40.679 40.800 -0.456 0.000 1.015 199 D HN 0.049 nan 8.370 nan 0.000 0.484 200 Q N 0.364 120.264 119.800 0.167 0.000 2.421 200 Q HA 0.131 4.478 4.340 0.012 0.000 0.255 200 Q C -0.135 176.003 176.000 0.230 0.000 1.013 200 Q CA 0.032 56.004 55.803 0.283 0.000 0.895 200 Q CB 0.625 29.681 28.738 0.529 0.000 1.271 200 Q HN 0.066 nan 8.270 nan 0.000 0.460 201 D N 2.779 123.345 120.400 0.277 0.000 2.455 201 D HA 0.176 4.824 4.640 0.012 0.000 0.234 201 D C -0.792 175.665 176.300 0.262 0.000 1.224 201 D CA 0.139 54.273 54.000 0.224 0.000 0.999 201 D CB -0.445 40.492 40.800 0.228 0.000 1.072 201 D HN 0.488 nan 8.370 nan 0.000 0.514 202 M N 0.271 119.994 119.600 0.204 0.000 3.147 202 M HA 0.385 4.873 4.480 0.012 0.000 0.276 202 M C -1.328 175.075 176.300 0.171 0.000 1.211 202 M CA -1.156 54.200 55.300 0.093 0.000 0.820 202 M CB 1.047 33.640 32.600 -0.011 0.000 1.621 202 M HN -0.077 nan 8.290 nan 0.000 0.507 203 W N 2.080 123.466 121.300 0.144 0.000 2.223 203 W HA 0.304 4.971 4.660 0.013 0.000 0.334 203 W C 0.260 176.808 176.519 0.048 0.000 1.334 203 W CA -0.113 57.310 57.345 0.131 0.000 1.246 203 W CB 0.399 29.881 29.460 0.037 0.000 1.184 203 W HN 0.287 nan 8.180 nan 0.000 0.563 204 R N 5.047 125.743 120.500 0.326 0.000 2.205 204 R HA 0.372 4.720 4.340 0.012 0.000 0.342 204 R C -0.132 176.183 176.300 0.025 0.000 1.058 204 R CA -0.115 56.092 56.100 0.177 0.000 0.904 204 R CB -0.043 30.438 30.300 0.301 0.000 1.089 204 R HN 0.558 nan 8.270 nan 0.000 0.471 205 M N 0.233 119.734 119.600 -0.165 0.000 2.792 205 M HA 0.537 5.025 4.480 0.012 0.000 0.290 205 M C 0.011 175.958 176.300 -0.588 0.000 1.155 205 M CA -0.860 54.217 55.300 -0.372 0.000 0.781 205 M CB 2.144 34.524 32.600 -0.366 0.000 1.741 205 M HN 0.603 nan 8.290 nan 0.000 0.473 206 S N -1.207 114.008 115.700 -0.809 0.000 2.587 206 S HA 0.937 5.415 4.470 0.012 0.000 0.269 206 S C -0.670 173.409 174.600 -0.869 0.000 1.154 206 S CA -0.190 57.452 58.200 -0.930 0.000 0.824 206 S CB 1.763 64.240 63.200 -1.205 0.000 1.118 206 S HN 1.491 nan 8.310 nan 0.000 0.462 207 G N -0.005 108.545 108.800 -0.417 0.000 2.343 207 G HA2 0.216 4.184 3.960 0.012 0.000 0.465 207 G HA3 0.216 4.184 3.960 0.012 0.000 0.465 207 G C -1.522 173.391 174.900 0.021 0.000 1.282 207 G CA -0.644 44.509 45.100 0.087 0.000 0.996 207 G HN 1.141 nan 8.290 nan 0.000 0.521 208 I N 2.052 122.474 120.570 -0.248 0.000 2.268 208 I HA 0.274 4.451 4.170 0.012 0.000 0.290 208 I C 1.073 177.055 176.117 -0.226 0.000 1.125 208 I CA -0.254 60.806 61.300 -0.399 0.000 1.236 208 I CB -0.141 37.362 38.000 -0.829 0.000 1.469 208 I HN 0.513 nan 8.210 nan 0.000 0.512 209 F N 4.271 124.070 119.950 -0.251 0.000 2.695 209 F HA 0.463 4.997 4.527 0.012 0.000 0.303 209 F C 0.715 176.433 175.800 -0.137 0.000 1.091 209 F CA -0.551 57.335 58.000 -0.191 0.000 1.300 209 F CB 0.107 38.998 39.000 -0.181 0.000 1.071 209 F HN 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.348 120.385 120.500 -0.772 0.000 2.960 210 R HA 0.257 4.604 4.340 0.012 0.000 0.249 210 R C -0.713 175.372 176.300 -0.358 0.000 1.192 210 R CA -1.169 54.601 56.100 -0.549 0.000 1.035 210 R CB 0.578 30.488 30.300 -0.649 0.000 1.234 210 R HN -0.034 nan 8.270 nan 0.000 0.493 211 D N 0.735 120.969 120.400 -0.276 0.000 2.400 211 D HA 0.131 4.779 4.640 0.012 0.000 0.238 211 D C -0.513 175.643 176.300 -0.241 0.000 1.157 211 D CA 0.352 54.230 54.000 -0.204 0.000 0.889 211 D CB 0.870 41.584 40.800 -0.144 0.000 1.199 211 D HN -0.009 nan 8.370 nan 0.000 0.436 212 V N 1.051 120.832 119.914 -0.222 0.000 2.540 212 V HA 0.563 4.690 4.120 0.012 0.000 0.302 212 V C 0.136 176.105 176.094 -0.210 0.000 1.035 212 V CA -0.564 61.540 62.300 -0.328 0.000 0.873 212 V CB 1.649 33.275 31.823 -0.329 0.000 0.992 212 V HN 0.756 nan 8.190 nan 0.000 0.428 213 S N 4.328 119.888 115.700 -0.234 0.000 2.651 213 S HA 0.891 5.369 4.470 0.012 0.000 0.279 213 S C -1.455 173.095 174.600 -0.083 0.000 1.148 213 S CA -0.846 57.287 58.200 -0.112 0.000 0.837 213 S CB 2.173 65.341 63.200 -0.053 0.000 1.138 213 S HN 0.516 nan 8.310 nan 0.000 0.478 214 L N 1.212 122.454 121.223 0.032 0.000 2.381 214 L HA 0.782 5.129 4.340 0.012 0.000 0.274 214 L C -1.633 175.433 176.870 0.325 0.000 0.988 214 L CA -0.667 54.270 54.840 0.162 0.000 0.824 214 L CB 1.700 43.857 42.059 0.164 0.000 1.263 214 L HN 0.849 nan 8.230 nan 0.000 0.410 215 L N 4.438 125.821 121.223 0.267 0.000 2.356 215 L HA 0.492 4.840 4.340 0.012 0.000 0.277 215 L C -1.100 175.765 176.870 -0.008 0.000 0.996 215 L CA -0.179 54.744 54.840 0.139 0.000 0.822 215 L CB 1.249 43.353 42.059 0.076 0.000 1.256 215 L HN 0.621 nan 8.230 nan 0.000 0.413 216 H N 5.437 124.252 119.070 -0.426 0.000 2.517 216 H HA 0.456 5.020 4.556 0.013 0.000 0.317 216 H C -1.184 173.918 175.328 -0.376 0.000 1.080 216 H CA -0.456 55.203 56.048 -0.647 0.000 1.301 216 H CB 1.026 29.873 29.762 -1.525 0.000 1.425 216 H HN 0.528 nan 8.280 nan 0.000 0.471 217 K N 5.476 125.479 120.400 -0.662 0.000 2.328 217 K HA 0.381 4.708 4.320 0.012 0.000 0.246 217 K C -2.690 173.652 176.600 -0.431 0.000 0.955 217 K CA -2.028 54.026 56.287 -0.388 0.000 0.817 217 K CB 2.160 34.504 32.500 -0.259 0.000 1.208 217 K HN 0.483 nan 8.250 nan 0.000 0.432 218 P HA 0.163 nan 4.420 nan 0.000 0.274 218 P C 0.523 177.749 177.300 -0.124 0.000 1.246 218 P CA -0.199 62.828 63.100 -0.121 0.000 0.795 218 P CB 0.456 32.124 31.700 -0.054 0.000 1.006 219 T N -1.008 113.501 114.554 -0.076 0.000 2.720 219 T HA -0.058 4.299 4.350 0.012 0.000 0.268 219 T C 0.603 175.265 174.700 -0.063 0.000 1.037 219 T CA 1.651 63.714 62.100 -0.062 0.000 1.144 219 T CB -0.635 68.215 68.868 -0.030 0.000 0.864 219 T HN 0.435 nan 8.240 nan 0.000 0.444 220 T N 3.709 118.230 114.554 -0.054 0.000 2.738 220 T HA 0.463 4.821 4.350 0.012 0.000 0.298 220 T C -0.223 174.432 174.700 -0.076 0.000 0.962 220 T CA -0.619 61.441 62.100 -0.067 0.000 0.972 220 T CB 0.650 69.495 68.868 -0.038 0.000 0.928 220 T HN 0.480 nan 8.240 nan 0.000 0.474 221 Q N 2.425 122.165 119.800 -0.100 0.000 2.565 221 Q HA 0.589 4.937 4.340 0.012 0.000 0.294 221 Q C -1.230 174.704 176.000 -0.110 0.000 1.005 221 Q CA -1.176 54.558 55.803 -0.115 0.000 0.771 221 Q CB 1.289 29.939 28.738 -0.147 0.000 1.486 221 Q HN 0.446 nan 8.270 nan 0.000 0.422 222 I N 2.735 123.210 120.570 -0.158 0.000 2.421 222 I HA 0.015 4.192 4.170 0.012 0.000 0.291 222 I C 0.825 176.847 176.117 -0.158 0.000 1.089 222 I CA 0.050 61.272 61.300 -0.129 0.000 1.354 222 I CB 0.997 38.864 38.000 -0.221 0.000 1.413 222 I HN 0.863 nan 8.210 nan 0.000 0.513 223 S N 2.919 118.645 115.700 0.043 0.000 2.503 223 S HA 0.152 4.630 4.470 0.012 0.000 0.215 223 S C 0.252 175.072 174.600 0.367 0.000 1.003 223 S CA -0.169 58.129 58.200 0.163 0.000 0.910 223 S CB 0.269 63.523 63.200 0.090 0.000 0.790 223 S HN 0.710 nan 8.310 nan 0.000 0.514 224 D N -0.384 120.232 120.400 0.360 0.000 2.683 224 D HA 0.508 5.155 4.640 0.012 0.000 0.246 224 D C -1.852 174.666 176.300 0.363 0.000 1.238 224 D CA -0.760 53.464 54.000 0.374 0.000 0.759 224 D CB 1.508 42.406 40.800 0.164 0.000 1.349 224 D HN 0.223 nan 8.370 nan 0.000 0.426 225 F N -0.658 119.384 119.950 0.155 0.000 2.650 225 F HA 0.639 5.174 4.527 0.013 0.000 0.310 225 F C -1.520 174.373 175.800 0.155 0.000 1.112 225 F CA -0.795 57.230 58.000 0.041 0.000 0.986 225 F CB 1.377 40.424 39.000 0.078 0.000 1.285 225 F HN 0.256 nan 8.300 nan 0.000 0.440 226 H N 1.640 120.771 119.070 0.102 0.000 2.667 226 H HA 0.714 5.277 4.556 0.012 0.000 0.353 226 H C -1.383 173.976 175.328 0.052 0.000 1.072 226 H CA -1.479 54.556 56.048 -0.022 0.000 1.214 226 H CB 2.684 32.425 29.762 -0.035 0.000 1.600 226 H HN 0.607 nan 8.280 nan 0.000 0.527 227 V N 2.340 122.343 119.914 0.148 0.000 2.417 227 V HA 0.637 4.765 4.120 0.012 0.000 0.291 227 V C -0.139 175.947 176.094 -0.012 0.000 1.024 227 V CA -0.543 61.803 62.300 0.077 0.000 0.861 227 V CB 1.195 33.067 31.823 0.082 0.000 0.985 227 V HN 0.912 nan 8.190 nan 0.000 0.436 228 A N 3.454 126.246 122.820 -0.045 0.000 2.374 228 A HA 0.949 5.277 4.320 0.012 0.000 0.317 228 A C -0.083 177.396 177.584 -0.176 0.000 1.094 228 A CA -0.537 51.451 52.037 -0.082 0.000 0.765 228 A CB 1.872 20.846 19.000 -0.044 0.000 1.268 228 A HN 0.910 nan 8.150 nan 0.000 0.438 229 T N -0.158 114.269 114.554 -0.212 0.000 2.881 229 T HA 0.713 5.071 4.350 0.012 0.000 0.291 229 T C -0.516 173.969 174.700 -0.358 0.000 0.990 229 T CA -0.814 61.060 62.100 -0.377 0.000 0.976 229 T CB 0.903 69.426 68.868 -0.574 0.000 0.970 229 T HN 0.852 nan 8.240 nan 0.000 0.438 230 R N 2.063 122.277 120.500 -0.477 0.000 2.803 230 R HA 0.858 5.206 4.340 0.012 0.000 0.276 230 R C -1.398 174.515 176.300 -0.645 0.000 0.978 230 R CA -0.978 54.923 56.100 -0.332 0.000 0.939 230 R CB 1.373 31.602 30.300 -0.119 0.000 1.179 230 R HN 0.466 nan 8.270 nan 0.000 0.472 231 F N 0.174 120.107 119.950 -0.029 0.000 2.611 231 F HA 0.364 4.898 4.527 0.011 0.000 0.324 231 F C 0.369 176.034 175.800 -0.226 0.000 1.061 231 F CA -1.084 56.841 58.000 -0.125 0.000 0.954 231 F CB 1.263 40.084 39.000 -0.297 0.000 1.301 231 F HN 0.638 nan 8.300 nan 0.000 0.482 232 N N 0.033 118.716 118.700 -0.028 0.000 2.364 232 N HA 0.045 4.792 4.740 0.012 0.000 0.264 232 N C 0.462 175.825 175.510 -0.245 0.000 1.263 232 N CA -0.112 52.880 53.050 -0.096 0.000 0.959 232 N CB 0.142 38.603 38.487 -0.043 0.000 1.204 232 N HN 0.683 nan 8.380 nan 0.000 0.550 233 D N -1.260 119.048 120.400 -0.153 0.000 2.182 233 D HA -0.238 4.409 4.640 0.012 0.000 0.201 233 D C 0.237 176.453 176.300 -0.139 0.000 0.986 233 D CA 1.574 55.485 54.000 -0.148 0.000 0.847 233 D CB -0.513 40.259 40.800 -0.046 0.000 0.942 233 D HN 0.739 nan 8.370 nan 0.000 0.467 234 D N -1.935 118.427 120.400 -0.064 0.000 2.462 234 D HA 0.051 4.698 4.640 0.012 0.000 0.221 234 D C 0.141 176.601 176.300 0.267 0.000 1.173 234 D CA -0.922 53.150 54.000 0.120 0.000 0.831 234 D CB -0.972 39.901 40.800 0.123 0.000 1.001 234 D HN 0.183 nan 8.370 nan 0.000 0.499 235 F N 0.317 120.333 119.950 0.109 0.000 3.006 235 F HA -0.294 4.240 4.527 0.012 0.000 0.289 235 F C 1.564 177.458 175.800 0.156 0.000 0.772 235 F CA 0.859 58.937 58.000 0.129 0.000 1.162 235 F CB -2.435 36.529 39.000 -0.061 0.000 1.382 235 F HN 0.216 nan 8.300 nan 0.000 0.406 236 S N -1.255 114.570 115.700 0.210 0.000 2.548 236 S HA 0.334 4.812 4.470 0.012 0.000 0.215 236 S C 0.598 175.264 174.600 0.110 0.000 0.976 236 S CA -0.097 58.192 58.200 0.148 0.000 0.908 236 S CB 0.428 63.686 63.200 0.097 0.000 0.781 236 S HN 0.452 nan 8.310 nan 0.000 0.519 237 R N 0.032 120.605 120.500 0.122 0.000 2.698 237 R HA 0.821 5.169 4.340 0.012 0.000 0.275 237 R C -1.314 175.023 176.300 0.060 0.000 1.001 237 R CA -0.370 55.763 56.100 0.056 0.000 0.896 237 R CB 2.236 32.542 30.300 0.009 0.000 1.218 237 R HN 0.240 nan 8.270 nan 0.000 0.462 238 A N 1.297 124.090 122.820 -0.045 0.000 2.594 238 A HA 0.753 5.081 4.320 0.012 0.000 0.291 238 A C -1.489 176.017 177.584 -0.129 0.000 1.105 238 A CA -0.653 51.269 52.037 -0.190 0.000 0.694 238 A CB 2.099 20.965 19.000 -0.224 0.000 1.291 238 A HN 0.323 nan 8.150 nan 0.000 0.410 239 V N 1.296 121.107 119.914 -0.171 0.000 2.483 239 V HA 0.443 4.571 4.120 0.012 0.000 0.297 239 V C -0.624 175.405 176.094 -0.109 0.000 1.027 239 V CA -0.323 61.915 62.300 -0.104 0.000 0.855 239 V CB 1.414 33.176 31.823 -0.102 0.000 0.995 239 V HN 0.817 nan 8.190 nan 0.000 0.424 240 L N 5.229 126.428 121.223 -0.040 0.000 2.275 240 L HA 0.592 4.939 4.340 0.012 0.000 0.288 240 L C -0.109 176.718 176.870 -0.072 0.000 1.046 240 L CA 0.108 54.898 54.840 -0.083 0.000 0.805 240 L CB 0.826 42.874 42.059 -0.019 0.000 1.193 240 L HN 0.661 nan 8.230 nan 0.000 0.426 241 E N 5.093 125.246 120.200 -0.078 0.000 2.176 241 E HA 0.599 4.956 4.350 0.012 0.000 0.267 241 E C -1.112 175.477 176.600 -0.018 0.000 0.893 241 E CA -0.818 55.554 56.400 -0.046 0.000 0.761 241 E CB 2.037 31.711 29.700 -0.043 0.000 1.133 241 E HN 0.666 nan 8.360 nan 0.000 0.409 242 A N 3.457 126.274 122.820 -0.005 0.000 2.311 242 A HA 0.310 4.637 4.320 0.012 0.000 0.306 242 A C -0.529 177.062 177.584 0.011 0.000 1.189 242 A CA -0.650 51.410 52.037 0.038 0.000 0.791 242 A CB 0.930 19.956 19.000 0.042 0.000 1.172 242 A HN 0.674 nan 8.150 nan 0.000 0.481 243 E N 2.559 122.768 120.200 0.015 0.000 2.174 243 E HA 0.558 4.916 4.350 0.012 0.000 0.282 243 E C -1.354 175.209 176.600 -0.062 0.000 0.992 243 E CA -0.358 56.005 56.400 -0.063 0.000 0.803 243 E CB 1.183 30.807 29.700 -0.127 0.000 1.090 243 E HN 0.383 nan 8.360 nan 0.000 0.396 244 V N 4.610 124.496 119.914 -0.048 0.000 2.656 244 V HA 0.300 4.428 4.120 0.012 0.000 0.307 244 V C -0.528 175.621 176.094 0.092 0.000 1.051 244 V CA -0.809 61.513 62.300 0.036 0.000 0.893 244 V CB 1.829 33.653 31.823 0.002 0.000 0.999 244 V HN 0.746 nan 8.190 nan 0.000 0.426 245 Q N 3.921 123.796 119.800 0.124 0.000 2.348 245 Q HA 0.855 5.203 4.340 0.012 0.000 0.271 245 Q C -0.909 175.185 176.000 0.157 0.000 1.067 245 Q CA -0.928 54.963 55.803 0.146 0.000 0.839 245 Q CB 2.690 31.442 28.738 0.024 0.000 1.354 245 Q HN 0.794 nan 8.270 nan 0.000 0.447 246 M N -1.014 118.624 119.600 0.062 0.000 2.690 246 M HA 0.759 5.247 4.480 0.012 0.000 0.302 246 M C -1.332 174.904 176.300 -0.108 0.000 1.234 246 M CA -0.526 54.724 55.300 -0.084 0.000 0.853 246 M CB 1.652 34.014 32.600 -0.396 0.000 1.748 246 M HN 0.540 nan 8.290 nan 0.000 0.469 247 C N 0.685 119.923 119.300 -0.103 0.000 2.707 247 C HA 1.029 5.496 4.460 0.012 0.000 0.313 247 C C 0.725 175.649 174.990 -0.110 0.000 1.209 247 C CA 0.736 59.705 59.018 -0.083 0.000 1.635 247 C CB 1.074 28.790 27.740 -0.040 0.000 2.206 247 C HN 1.379 nan 8.230 nan 0.000 0.485 248 G N 1.533 110.275 108.800 -0.095 0.000 2.341 248 G HA2 -0.055 3.913 3.960 0.012 0.000 0.196 248 G HA3 -0.055 3.913 3.960 0.012 0.000 0.196 248 G C -0.720 174.119 174.900 -0.102 0.000 1.231 248 G CA -0.378 44.669 45.100 -0.089 0.000 1.155 248 G HN 0.857 nan 8.290 nan 0.000 0.529 249 E N 0.823 120.970 120.200 -0.089 0.000 1.865 249 E HA 0.367 4.725 4.350 0.012 0.000 0.269 249 E C 0.230 176.737 176.600 -0.155 0.000 1.177 249 E CA -0.343 56.008 56.400 -0.082 0.000 0.932 249 E CB -0.165 29.524 29.700 -0.018 0.000 1.066 249 E HN 0.396 nan 8.360 nan 0.000 0.405 250 L N 5.836 126.942 121.223 -0.194 0.000 2.385 250 L HA 0.225 4.572 4.340 0.012 0.000 0.281 250 L C -0.122 176.584 176.870 -0.275 0.000 1.106 250 L CA 0.115 54.793 54.840 -0.270 0.000 0.856 250 L CB -0.032 41.894 42.059 -0.223 0.000 1.186 250 L HN 0.443 nan 8.230 nan 0.000 0.453 251 R N 2.533 122.776 120.500 -0.428 0.000 2.771 251 R HA 0.214 4.561 4.340 0.012 0.000 0.274 251 R C -0.157 175.811 176.300 -0.553 0.000 0.987 251 R CA -0.862 54.901 56.100 -0.561 0.000 0.908 251 R CB 1.331 30.970 30.300 -1.101 0.000 1.213 251 R HN 0.439 nan 8.270 nan 0.000 0.468 252 D N 0.903 121.095 120.400 -0.347 0.000 2.263 252 D HA -0.135 4.513 4.640 0.012 0.000 0.208 252 D C 1.524 177.753 176.300 -0.119 0.000 0.971 252 D CA 1.530 55.431 54.000 -0.165 0.000 0.867 252 D CB 0.078 40.844 40.800 -0.056 0.000 0.929 252 D HN 0.550 nan 8.370 nan 0.000 0.492 253 Y N -0.258 120.051 120.300 0.015 0.000 2.583 253 Y HA 0.241 4.798 4.550 0.013 0.000 0.293 253 Y C 0.774 176.682 175.900 0.013 0.000 1.157 253 Y CA -0.431 57.678 58.100 0.015 0.000 1.315 253 Y CB -0.950 37.518 38.460 0.013 0.000 1.021 253 Y HN -0.187 nan 8.280 nan 0.000 0.536 254 L N 2.547 123.725 121.223 -0.075 0.000 2.439 254 L HA 0.324 4.671 4.340 0.012 0.000 0.269 254 L C 0.185 177.106 176.870 0.086 0.000 1.179 254 L CA -0.162 54.735 54.840 0.095 0.000 0.828 254 L CB 0.503 42.575 42.059 0.022 0.000 1.106 254 L HN 0.146 nan 8.230 nan 0.000 0.467 255 R N 1.706 122.155 120.500 -0.086 0.000 2.799 255 R HA 0.695 5.042 4.340 0.012 0.000 0.270 255 R C -1.474 174.558 176.300 -0.447 0.000 1.010 255 R CA -0.821 55.078 56.100 -0.336 0.000 0.916 255 R CB 2.106 32.039 30.300 -0.612 0.000 1.228 255 R HN 0.264 nan 8.270 nan 0.000 0.469 256 V N 0.714 120.381 119.914 -0.411 0.000 2.656 256 V HA 0.543 4.671 4.120 0.012 0.000 0.307 256 V C -0.407 175.656 176.094 -0.051 0.000 1.051 256 V CA -0.546 61.606 62.300 -0.245 0.000 0.893 256 V CB 2.361 33.987 31.823 -0.328 0.000 0.999 256 V HN 0.724 nan 8.190 nan 0.000 0.426 257 T N 3.766 118.410 114.554 0.150 0.000 2.812 257 T HA 0.593 4.951 4.350 0.012 0.000 0.282 257 T C -0.704 174.027 174.700 0.052 0.000 0.990 257 T CA -0.360 61.827 62.100 0.146 0.000 0.960 257 T CB 1.636 70.629 68.868 0.208 0.000 0.948 257 T HN 0.341 nan 8.240 nan 0.000 0.438 258 V N 3.992 123.913 119.914 0.012 0.000 2.409 258 V HA 0.657 4.784 4.120 0.012 0.000 0.291 258 V C 0.027 176.134 176.094 0.021 0.000 1.020 258 V CA -0.766 61.538 62.300 0.005 0.000 0.848 258 V CB 1.553 33.365 31.823 -0.019 0.000 0.990 258 V HN 1.043 nan 8.190 nan 0.000 0.430 259 S N 5.290 121.033 115.700 0.071 0.000 2.536 259 S HA 0.859 5.337 4.470 0.012 0.000 0.298 259 S C -1.083 173.588 174.600 0.118 0.000 1.083 259 S CA -0.790 57.444 58.200 0.057 0.000 0.995 259 S CB 2.197 65.473 63.200 0.127 0.000 1.058 259 S HN 0.515 nan 8.310 nan 0.000 0.488 260 L N 2.405 123.585 121.223 -0.072 0.000 2.333 260 L HA 0.768 5.116 4.340 0.012 0.000 0.280 260 L C -1.961 174.833 176.870 -0.127 0.000 1.004 260 L CA -0.327 54.534 54.840 0.036 0.000 0.820 260 L CB 0.801 42.868 42.059 0.013 0.000 1.247 260 L HN 0.889 nan 8.230 nan 0.000 0.416 261 W N 3.503 124.910 121.300 0.179 0.000 2.736 261 W HA 0.591 5.259 4.660 0.012 0.000 0.335 261 W C -0.560 176.091 176.519 0.220 0.000 1.059 261 W CA -0.484 56.955 57.345 0.156 0.000 1.226 261 W CB 1.497 30.996 29.460 0.065 0.000 1.416 261 W HN 0.437 nan 8.180 nan 0.000 0.505 262 Q N 2.641 122.638 119.800 0.329 0.000 2.456 262 Q HA 0.495 4.843 4.340 0.012 0.000 0.252 262 Q C 0.729 176.805 176.000 0.127 0.000 1.042 262 Q CA 0.465 56.330 55.803 0.103 0.000 0.766 262 Q CB 0.558 29.304 28.738 0.014 0.000 1.196 262 Q HN 0.777 nan 8.270 nan 0.000 0.504 263 G N 3.139 112.005 108.800 0.111 0.000 2.574 263 G HA2 -0.375 3.593 3.960 0.012 0.000 0.286 263 G HA3 -0.375 3.593 3.960 0.012 0.000 0.286 263 G C 0.304 175.320 174.900 0.193 0.000 1.212 263 G CA 0.404 45.562 45.100 0.097 0.000 0.979 263 G HN 0.714 nan 8.290 nan 0.000 0.557 264 E N 0.782 121.081 120.200 0.166 0.000 2.476 264 E HA 0.205 4.562 4.350 0.012 0.000 0.191 264 E C 0.383 177.238 176.600 0.426 0.000 1.064 264 E CA 0.554 57.095 56.400 0.236 0.000 0.866 264 E CB 0.136 29.901 29.700 0.108 0.000 0.952 264 E HN 0.329 nan 8.360 nan 0.000 0.492 265 T N 1.010 115.758 114.554 0.323 0.000 2.795 265 T HA 0.130 4.487 4.350 0.012 0.000 0.282 265 T C -0.316 174.353 174.700 -0.052 0.000 0.980 265 T CA -0.486 61.709 62.100 0.158 0.000 1.012 265 T CB 1.637 70.540 68.868 0.058 0.000 0.936 265 T HN 0.018 nan 8.240 nan 0.000 0.457 266 Q N 2.715 122.181 119.800 -0.557 0.000 2.314 266 Q HA 0.308 4.655 4.340 0.012 0.000 0.257 266 Q C 1.021 176.724 176.000 -0.494 0.000 0.975 266 Q CA -0.454 54.678 55.803 -1.118 0.000 0.933 266 Q CB 0.815 28.724 28.738 -1.381 0.000 1.195 266 Q HN 0.692 nan 8.270 nan 0.000 0.426 267 V N 1.354 121.062 119.914 -0.342 0.000 3.174 267 V HA 0.546 4.674 4.120 0.012 0.000 0.254 267 V C 0.232 176.214 176.094 -0.186 0.000 1.120 267 V CA 0.999 63.195 62.300 -0.172 0.000 1.114 267 V CB 0.109 31.916 31.823 -0.026 0.000 0.756 267 V HN 0.658 nan 8.190 nan 0.000 0.467 268 A N -0.964 121.717 122.820 -0.232 0.000 2.601 268 A HA 0.805 5.132 4.320 0.012 0.000 0.291 268 A C -0.641 176.837 177.584 -0.176 0.000 1.075 268 A CA 0.187 52.123 52.037 -0.169 0.000 0.671 268 A CB 1.414 20.343 19.000 -0.118 0.000 1.277 268 A HN 0.739 nan 8.150 nan 0.000 0.417 269 S N -1.251 114.377 115.700 -0.120 0.000 2.543 269 S HA 0.765 5.242 4.470 0.012 0.000 0.274 269 S C -0.619 173.947 174.600 -0.056 0.000 1.149 269 S CA 0.209 58.357 58.200 -0.087 0.000 0.866 269 S CB 1.641 64.783 63.200 -0.098 0.000 1.111 269 S HN 2.320 nan 8.310 nan 0.000 0.457 270 G N 1.487 110.265 108.800 -0.035 0.000 2.706 270 G HA2 0.656 4.624 3.960 0.012 0.000 0.297 270 G HA3 0.656 4.624 3.960 0.012 0.000 0.297 270 G C -1.435 173.457 174.900 -0.014 0.000 1.403 270 G CA -0.402 44.680 45.100 -0.031 0.000 0.954 270 G HN 0.686 nan 8.290 nan 0.000 0.500 271 T N -0.088 114.460 114.554 -0.009 0.000 2.893 271 T HA 0.832 5.190 4.350 0.012 0.000 0.293 271 T C -0.324 174.352 174.700 -0.039 0.000 1.027 271 T CA -0.079 62.027 62.100 0.010 0.000 0.988 271 T CB 1.788 70.698 68.868 0.069 0.000 1.043 271 T HN 1.456 nan 8.240 nan 0.000 0.461 272 A N 3.654 126.416 122.820 -0.096 0.000 2.606 272 A HA 0.928 5.255 4.320 0.012 0.000 0.293 272 A C -3.075 174.398 177.584 -0.185 0.000 1.082 272 A CA -1.674 50.290 52.037 -0.122 0.000 0.685 272 A CB 1.353 20.272 19.000 -0.134 0.000 1.284 272 A HN 0.529 nan 8.150 nan 0.000 0.408 273 P HA 0.520 nan 4.420 nan 0.000 0.276 273 P C -0.632 176.572 177.300 -0.159 0.000 1.261 273 P CA -0.243 62.796 63.100 -0.100 0.000 0.800 273 P CB 0.354 32.039 31.700 -0.025 0.000 1.066 274 F N -0.176 119.730 119.950 -0.073 0.000 2.406 274 F HA 0.493 5.028 4.527 0.012 0.000 0.327 274 F C 1.411 177.189 175.800 -0.037 0.000 1.153 274 F CA 1.413 59.380 58.000 -0.055 0.000 1.218 274 F CB 0.325 39.285 39.000 -0.067 0.000 1.215 274 F HN 0.580 nan 8.300 nan 0.000 0.570 275 G N 1.485 110.395 108.800 0.183 0.000 2.881 275 G HA2 0.345 4.312 3.960 0.012 0.000 0.597 275 G HA3 0.345 4.312 3.960 0.012 0.000 0.597 275 G C -0.446 174.497 174.900 0.072 0.000 1.188 275 G CA -0.734 44.434 45.100 0.112 0.000 1.218 275 G HN 1.042 nan 8.290 nan 0.000 0.544 276 G N 1.015 109.879 108.800 0.106 0.000 2.588 276 G HA2 0.692 4.660 3.960 0.012 0.000 0.281 276 G HA3 0.692 4.660 3.960 0.012 0.000 0.281 276 G C 0.515 175.452 174.900 0.061 0.000 1.236 276 G CA -0.023 45.125 45.100 0.080 0.000 0.969 276 G HN 0.992 nan 8.290 nan 0.000 0.504 277 E N -0.379 119.850 120.200 0.048 0.000 2.438 277 E HA -0.002 4.356 4.350 0.012 0.000 0.261 277 E C 0.128 176.749 176.600 0.036 0.000 1.103 277 E CA -0.216 56.203 56.400 0.032 0.000 0.959 277 E CB 0.776 30.492 29.700 0.026 0.000 0.958 277 E HN 0.312 nan 8.360 nan 0.000 0.447 278 I N 1.743 122.322 120.570 0.016 0.000 2.710 278 I HA -0.106 4.071 4.170 0.012 0.000 0.286 278 I C 1.479 177.603 176.117 0.013 0.000 1.181 278 I CA 0.400 61.702 61.300 0.003 0.000 1.430 278 I CB 0.214 38.212 38.000 -0.004 0.000 1.367 278 I HN 0.587 nan 8.210 nan 0.000 0.577 279 I N 1.267 121.840 120.570 0.005 0.000 4.244 279 I HA 0.327 4.505 4.170 0.012 0.000 0.318 279 I C -0.206 175.914 176.117 0.003 0.000 1.282 279 I CA -0.037 61.276 61.300 0.022 0.000 1.276 279 I CB 0.564 38.604 38.000 0.065 0.000 1.183 279 I HN 0.610 nan 8.210 nan 0.000 0.431 280 D N -0.308 120.079 120.400 -0.020 0.000 2.838 280 D HA 0.181 4.829 4.640 0.012 0.000 0.334 280 D C 0.231 176.515 176.300 -0.027 0.000 1.315 280 D CA -0.501 53.487 54.000 -0.020 0.000 0.917 280 D CB 0.578 41.367 40.800 -0.019 0.000 1.435 280 D HN -0.110 nan 8.370 nan 0.000 0.517 281 E N -1.019 119.167 120.200 -0.023 0.000 2.267 281 E HA -0.058 4.300 4.350 0.012 0.000 0.197 281 E C 1.264 177.845 176.600 -0.032 0.000 0.998 281 E CA 0.984 57.371 56.400 -0.022 0.000 0.830 281 E CB -0.022 29.668 29.700 -0.017 0.000 0.751 281 E HN 0.215 nan 8.360 nan 0.000 0.491 282 R N -0.358 120.115 120.500 -0.046 0.000 2.334 282 R HA 0.293 4.641 4.340 0.012 0.000 0.216 282 R C 0.784 177.042 176.300 -0.071 0.000 0.905 282 R CA 0.685 56.751 56.100 -0.057 0.000 1.064 282 R CB 0.674 30.935 30.300 -0.066 0.000 1.046 282 R HN 0.210 nan 8.270 nan 0.000 0.508 283 G N -0.605 108.154 108.800 -0.068 0.000 2.341 283 G HA2 -0.091 3.877 3.960 0.012 0.000 0.196 283 G HA3 -0.091 3.877 3.960 0.012 0.000 0.196 283 G C -0.305 174.539 174.900 -0.094 0.000 1.231 283 G CA -0.623 44.436 45.100 -0.070 0.000 1.155 283 G HN 0.450 nan 8.290 nan 0.000 0.529 284 G N -1.998 106.739 108.800 -0.104 0.000 3.105 284 G HA2 0.635 4.602 3.960 0.012 0.000 0.277 284 G HA3 0.635 4.602 3.960 0.012 0.000 0.277 284 G C -1.530 173.248 174.900 -0.202 0.000 1.375 284 G CA -0.733 44.302 45.100 -0.107 0.000 0.962 284 G HN 0.763 nan 8.290 nan 0.000 0.541 285 Y N 1.150 121.461 120.300 0.018 0.000 2.556 285 Y HA 0.398 4.955 4.550 0.012 0.000 0.352 285 Y C 1.491 177.417 175.900 0.043 0.000 1.006 285 Y CA 0.218 58.334 58.100 0.027 0.000 1.277 285 Y CB 1.520 40.002 38.460 0.035 0.000 1.136 285 Y HN 0.538 nan 8.280 nan 0.000 0.523 286 A N 1.746 124.624 122.820 0.098 0.000 2.119 286 A HA -0.131 4.197 4.320 0.012 0.000 0.217 286 A C 1.378 179.036 177.584 0.122 0.000 1.153 286 A CA 1.279 53.368 52.037 0.087 0.000 0.692 286 A CB -0.257 18.751 19.000 0.014 0.000 0.799 286 A HN 0.779 nan 8.150 nan 0.000 0.458 287 D N -0.871 119.612 120.400 0.138 0.000 2.358 287 D HA 0.127 4.774 4.640 0.012 0.000 0.224 287 D C 0.518 176.977 176.300 0.265 0.000 1.123 287 D CA -0.030 53.999 54.000 0.050 0.000 0.833 287 D CB -0.008 40.788 40.800 -0.007 0.000 0.946 287 D HN 0.372 nan 8.370 nan 0.000 0.505 288 R N -0.690 120.052 120.500 0.403 0.000 2.867 288 R HA 0.752 5.099 4.340 0.012 0.000 0.268 288 R C -1.545 174.874 176.300 0.199 0.000 1.014 288 R CA -1.163 55.132 56.100 0.325 0.000 0.946 288 R CB 3.105 33.473 30.300 0.113 0.000 1.208 288 R HN -0.022 nan 8.270 nan 0.000 0.477 289 V N 0.389 120.277 119.914 -0.043 0.000 2.969 289 V HA 0.462 4.590 4.120 0.012 0.000 0.304 289 V C -1.477 174.528 176.094 -0.147 0.000 1.192 289 V CA -0.292 61.889 62.300 -0.197 0.000 0.962 289 V CB 2.702 34.192 31.823 -0.555 0.000 1.045 289 V HN 0.801 nan 8.190 nan 0.000 0.428 290 T N 7.551 122.042 114.554 -0.106 0.000 2.770 290 T HA 0.590 4.947 4.350 0.012 0.000 0.283 290 T C -0.885 173.766 174.700 -0.082 0.000 0.988 290 T CA -0.393 61.660 62.100 -0.078 0.000 0.957 290 T CB 1.030 69.870 68.868 -0.047 0.000 0.930 290 T HN 0.426 nan 8.240 nan 0.000 0.443 291 L N 3.778 124.955 121.223 -0.076 0.000 2.309 291 L HA 0.570 4.917 4.340 0.012 0.000 0.282 291 L C 0.429 177.269 176.870 -0.050 0.000 1.036 291 L CA -0.382 54.417 54.840 -0.069 0.000 0.806 291 L CB 1.379 43.398 42.059 -0.066 0.000 1.220 291 L HN 0.550 nan 8.230 nan 0.000 0.429 292 R N 3.625 124.096 120.500 -0.048 0.000 2.476 292 R HA 0.618 4.966 4.340 0.012 0.000 0.305 292 R C -1.384 174.889 176.300 -0.044 0.000 0.965 292 R CA -0.989 55.084 56.100 -0.045 0.000 0.867 292 R CB 2.088 32.362 30.300 -0.044 0.000 1.176 292 R HN 0.227 nan 8.270 nan 0.000 0.447 293 L N 2.868 124.065 121.223 -0.042 0.000 2.322 293 L HA 0.361 4.708 4.340 0.012 0.000 0.281 293 L C -0.165 176.678 176.870 -0.045 0.000 1.014 293 L CA -0.620 54.194 54.840 -0.043 0.000 0.815 293 L CB 1.458 43.496 42.059 -0.036 0.000 1.247 293 L HN 0.440 nan 8.230 nan 0.000 0.421 294 N N 2.270 120.937 118.700 -0.055 0.000 2.499 294 N HA 0.486 5.234 4.740 0.012 0.000 0.281 294 N C -1.003 174.459 175.510 -0.081 0.000 1.098 294 N CA -0.235 52.778 53.050 -0.061 0.000 0.979 294 N CB 2.278 40.731 38.487 -0.056 0.000 1.121 294 N HN 0.212 nan 8.380 nan 0.000 0.466 295 V N 2.216 122.068 119.914 -0.103 0.000 2.482 295 V HA 0.181 4.308 4.120 0.012 0.000 0.295 295 V C -0.264 175.743 176.094 -0.145 0.000 1.026 295 V CA -0.865 61.330 62.300 -0.174 0.000 0.856 295 V CB 1.812 33.432 31.823 -0.339 0.000 1.001 295 V HN 0.455 nan 8.190 nan 0.000 0.424 296 E N 2.876 123.013 120.200 -0.105 0.000 2.283 296 E HA 0.306 4.664 4.350 0.012 0.000 0.278 296 E C 0.308 176.879 176.600 -0.049 0.000 1.027 296 E CA -0.418 55.947 56.400 -0.058 0.000 0.843 296 E CB 0.529 30.205 29.700 -0.039 0.000 1.062 296 E HN 0.724 nan 8.360 nan 0.000 0.401 297 N N 0.923 119.621 118.700 -0.004 0.000 2.714 297 N HA -0.149 4.598 4.740 0.012 0.000 0.252 297 N C -2.463 173.051 175.510 0.007 0.000 1.014 297 N CA 0.253 53.317 53.050 0.023 0.000 0.735 297 N CB -1.087 37.413 38.487 0.022 0.000 0.924 297 N HN 0.342 nan 8.380 nan 0.000 0.540 298 P HA -0.037 nan 4.420 nan 0.000 0.267 298 P C -0.397 176.945 177.300 0.071 0.000 1.200 298 P CA 0.462 63.478 63.100 -0.141 0.000 0.772 298 P CB 0.706 32.167 31.700 -0.399 0.000 0.855 299 K N 2.858 123.376 120.400 0.197 0.000 2.349 299 K HA 0.271 4.599 4.320 0.012 0.000 0.288 299 K C 0.265 177.021 176.600 0.261 0.000 1.058 299 K CA -0.377 56.010 56.287 0.166 0.000 0.953 299 K CB 0.247 32.792 32.500 0.075 0.000 0.997 299 K HN 0.446 nan 8.250 nan 0.000 0.477 300 L N 2.504 123.813 121.223 0.144 0.000 2.395 300 L HA 0.311 4.659 4.340 0.012 0.000 0.269 300 L C -0.009 176.942 176.870 0.134 0.000 1.133 300 L CA -0.820 54.109 54.840 0.148 0.000 0.812 300 L CB 0.434 42.426 42.059 -0.112 0.000 1.125 300 L HN 0.603 nan 8.230 nan 0.000 0.452 301 W N 2.853 124.180 121.300 0.045 0.000 2.438 301 W HA 0.515 5.181 4.660 0.011 0.000 0.324 301 W C -0.071 176.397 176.519 -0.085 0.000 1.119 301 W CA 0.065 57.420 57.345 0.017 0.000 1.221 301 W CB 1.430 30.955 29.460 0.109 0.000 1.253 301 W HN 0.623 nan 8.180 nan 0.000 0.555 302 S N 2.719 117.905 115.700 -0.857 0.000 2.643 302 S HA 0.631 5.108 4.470 0.012 0.000 0.270 302 S C 0.078 173.856 174.600 -1.370 0.000 1.166 302 S CA -0.354 57.384 58.200 -0.771 0.000 0.815 302 S CB 1.078 64.102 63.200 -0.294 0.000 1.139 302 S HN 1.009 nan 8.310 nan 0.000 0.472 303 A N 0.370 122.538 122.820 -1.087 0.000 2.067 303 A HA 0.068 4.396 4.320 0.012 0.000 0.219 303 A C 1.770 179.021 177.584 -0.554 0.000 1.158 303 A CA 1.426 52.855 52.037 -1.014 0.000 0.661 303 A CB -0.947 17.293 19.000 -1.265 0.000 0.801 303 A HN 0.859 nan 8.150 nan 0.000 0.452 304 E N -0.820 119.190 120.200 -0.317 0.000 2.047 304 E HA -0.008 4.349 4.350 0.012 0.000 0.191 304 E C -0.389 176.069 176.600 -0.237 0.000 0.987 304 E CA 0.803 57.088 56.400 -0.192 0.000 0.799 304 E CB -0.021 29.707 29.700 0.048 0.000 0.752 304 E HN 0.631 nan 8.360 nan 0.000 0.449 305 I N 1.403 121.807 120.570 -0.276 0.000 2.542 305 I HA 0.152 4.329 4.170 0.012 0.000 0.278 305 I C -2.467 173.419 176.117 -0.385 0.000 1.069 305 I CA -1.831 59.325 61.300 -0.240 0.000 1.100 305 I CB 2.169 40.081 38.000 -0.146 0.000 1.204 305 I HN -0.195 nan 8.210 nan 0.000 0.470 306 P HA 0.096 nan 4.420 nan 0.000 0.226 306 P C -0.619 176.651 177.300 -0.051 0.000 1.783 306 P CA -0.260 62.517 63.100 -0.537 0.000 0.980 306 P CB -0.203 31.331 31.700 -0.277 0.000 1.967 307 N N 1.672 120.366 118.700 -0.009 0.000 2.454 307 N HA 0.133 4.881 4.740 0.012 0.000 0.260 307 N C 0.113 175.813 175.510 0.317 0.000 1.218 307 N CA 0.498 53.608 53.050 0.100 0.000 0.904 307 N CB 0.661 39.202 38.487 0.090 0.000 1.065 307 N HN 0.301 nan 8.380 nan 0.000 0.462 308 L N 2.183 123.514 121.223 0.181 0.000 2.371 308 L HA 0.479 4.826 4.340 0.012 0.000 0.262 308 L C -0.817 176.092 176.870 0.066 0.000 1.006 308 L CA -0.860 54.133 54.840 0.256 0.000 0.818 308 L CB 1.363 43.557 42.059 0.225 0.000 1.354 308 L HN 0.392 nan 8.230 nan 0.000 0.415 309 Y N 0.128 120.585 120.300 0.261 0.000 2.621 309 Y HA 0.659 5.217 4.550 0.013 0.000 0.334 309 Y C -0.176 175.851 175.900 0.213 0.000 1.074 309 Y CA -0.757 57.493 58.100 0.251 0.000 1.149 309 Y CB 1.693 40.359 38.460 0.344 0.000 1.302 309 Y HN 0.380 nan 8.280 nan 0.000 0.501 310 R N 1.074 121.817 120.500 0.405 0.000 2.437 310 R HA 0.777 5.124 4.340 0.012 0.000 0.310 310 R C -1.598 174.894 176.300 0.320 0.000 0.955 310 R CA -0.524 55.743 56.100 0.278 0.000 0.851 310 R CB 1.018 31.417 30.300 0.166 0.000 1.161 310 R HN 0.727 nan 8.270 nan 0.000 0.446 311 A N 4.067 127.024 122.820 0.228 0.000 2.276 311 A HA 0.570 4.897 4.320 0.012 0.000 0.316 311 A C -0.943 176.706 177.584 0.108 0.000 1.229 311 A CA -0.633 51.517 52.037 0.188 0.000 0.851 311 A CB 1.103 20.187 19.000 0.139 0.000 1.165 311 A HN 0.499 nan 8.150 nan 0.000 0.513 312 V N 3.714 123.698 119.914 0.116 0.000 2.384 312 V HA 0.324 4.451 4.120 0.012 0.000 0.287 312 V C -0.267 175.805 176.094 -0.038 0.000 1.020 312 V CA -0.455 61.847 62.300 0.003 0.000 0.850 312 V CB 1.560 33.379 31.823 -0.006 0.000 0.987 312 V HN 0.600 nan 8.190 nan 0.000 0.436 313 V N 5.155 124.980 119.914 -0.149 0.000 2.294 313 V HA 0.366 4.493 4.120 0.012 0.000 0.272 313 V C 0.084 176.117 176.094 -0.102 0.000 1.027 313 V CA -0.557 61.628 62.300 -0.192 0.000 0.823 313 V CB 0.869 32.405 31.823 -0.478 0.000 1.030 313 V HN 0.909 nan 8.190 nan 0.000 0.457 314 E N 3.903 124.101 120.200 -0.004 0.000 2.156 314 E HA 0.492 4.849 4.350 0.012 0.000 0.279 314 E C -0.862 175.842 176.600 0.174 0.000 0.965 314 E CA -0.816 55.632 56.400 0.080 0.000 0.789 314 E CB 2.385 32.144 29.700 0.098 0.000 1.098 314 E HN 0.462 nan 8.360 nan 0.000 0.397 315 L N 4.654 125.958 121.223 0.135 0.000 2.272 315 L HA 0.397 4.745 4.340 0.012 0.000 0.289 315 L C -1.019 175.972 176.870 0.201 0.000 1.032 315 L CA 0.054 54.971 54.840 0.128 0.000 0.810 315 L CB 0.122 42.231 42.059 0.083 0.000 1.205 315 L HN 0.673 nan 8.230 nan 0.000 0.422 316 H N 0.049 119.178 119.070 0.099 0.000 2.981 316 H HA 0.693 5.257 4.556 0.012 0.000 0.327 316 H C -0.762 174.646 175.328 0.135 0.000 1.342 316 H CA -0.558 55.543 56.048 0.087 0.000 1.123 316 H CB 0.521 30.314 29.762 0.050 0.000 1.851 316 H HN 0.524 nan 8.280 nan 0.000 0.531 317 T N -1.632 113.064 114.554 0.238 0.000 2.904 317 T HA 0.459 4.816 4.350 0.012 0.000 0.290 317 T C 1.468 176.317 174.700 0.247 0.000 1.018 317 T CA -0.297 61.926 62.100 0.206 0.000 1.075 317 T CB 1.401 70.297 68.868 0.046 0.000 0.986 317 T HN 0.926 nan 8.240 nan 0.000 0.523 318 A N 1.362 124.297 122.820 0.191 0.000 1.978 318 A HA -0.083 4.245 4.320 0.012 0.000 0.220 318 A C 1.828 179.513 177.584 0.169 0.000 1.170 318 A CA 1.505 53.648 52.037 0.176 0.000 0.636 318 A CB -0.844 18.232 19.000 0.126 0.000 0.810 318 A HN 0.866 nan 8.150 nan 0.000 0.448 319 D N -1.483 118.987 120.400 0.115 0.000 2.363 319 D HA 0.254 4.901 4.640 0.012 0.000 0.226 319 D C 1.319 177.653 176.300 0.058 0.000 1.020 319 D CA 1.221 55.259 54.000 0.064 0.000 0.892 319 D CB 0.096 40.910 40.800 0.023 0.000 0.900 319 D HN 0.639 nan 8.370 nan 0.000 0.531 320 G N -0.416 108.445 108.800 0.101 0.000 2.205 320 G HA2 -0.201 3.767 3.960 0.012 0.000 0.180 320 G HA3 -0.201 3.767 3.960 0.012 0.000 0.180 320 G C 0.374 175.291 174.900 0.028 0.000 1.004 320 G CA -0.177 44.946 45.100 0.038 0.000 0.670 320 G HN 0.243 nan 8.290 nan 0.000 0.496 321 T N 1.939 116.532 114.554 0.065 0.000 2.728 321 T HA 0.524 4.881 4.350 0.012 0.000 0.296 321 T C 0.162 174.918 174.700 0.094 0.000 0.940 321 T CA -0.219 61.909 62.100 0.046 0.000 1.013 321 T CB 1.878 70.756 68.868 0.016 0.000 0.912 321 T HN 0.553 nan 8.240 nan 0.000 0.484 322 L N 5.269 126.526 121.223 0.056 0.000 2.360 322 L HA 0.352 4.699 4.340 0.012 0.000 0.276 322 L C 0.824 177.736 176.870 0.071 0.000 1.121 322 L CA 0.313 55.201 54.840 0.080 0.000 0.845 322 L CB 0.003 42.078 42.059 0.028 0.000 1.143 322 L HN 0.687 nan 8.230 nan 0.000 0.452 323 I N 2.930 123.555 120.570 0.092 0.000 2.364 323 I HA 0.064 4.241 4.170 0.012 0.000 0.241 323 I C 0.367 176.504 176.117 0.034 0.000 1.082 323 I CA 0.646 61.980 61.300 0.057 0.000 1.401 323 I CB 0.056 38.094 38.000 0.064 0.000 1.126 323 I HN 0.803 nan 8.210 nan 0.000 0.429 324 E N 0.142 120.362 120.200 0.034 0.000 2.416 324 E HA 0.722 5.079 4.350 0.012 0.000 0.280 324 E C -1.461 175.155 176.600 0.026 0.000 1.055 324 E CA -1.105 55.306 56.400 0.018 0.000 0.825 324 E CB 1.859 31.538 29.700 -0.035 0.000 1.312 324 E HN 0.014 nan 8.360 nan 0.000 0.452 325 A N 1.301 124.158 122.820 0.061 0.000 2.414 325 A HA 0.669 4.997 4.320 0.012 0.000 0.306 325 A C -0.939 176.732 177.584 0.145 0.000 1.054 325 A CA -0.750 51.322 52.037 0.059 0.000 0.724 325 A CB 1.540 20.571 19.000 0.052 0.000 1.267 325 A HN 0.520 nan 8.150 nan 0.000 0.418 326 E N -0.179 120.031 120.200 0.017 0.000 2.316 326 E HA 0.854 5.212 4.350 0.012 0.000 0.258 326 E C -0.450 176.168 176.600 0.029 0.000 0.952 326 E CA -0.555 55.898 56.400 0.089 0.000 0.818 326 E CB 2.352 31.984 29.700 -0.113 0.000 1.260 326 E HN 1.217 nan 8.360 nan 0.000 0.416 327 A N -0.166 122.784 122.820 0.217 0.000 2.586 327 A HA 0.655 4.982 4.320 0.012 0.000 0.291 327 A C -1.150 176.629 177.584 0.324 0.000 1.062 327 A CA -0.427 51.684 52.037 0.123 0.000 0.666 327 A CB 0.602 19.613 19.000 0.018 0.000 1.281 327 A HN 0.853 nan 8.150 nan 0.000 0.421 328 C N -0.549 118.906 119.300 0.259 0.000 3.288 328 C HA 0.837 5.305 4.460 0.012 0.000 0.318 328 C C -1.290 173.806 174.990 0.176 0.000 1.356 328 C CA -0.907 58.263 59.018 0.253 0.000 1.359 328 C CB 1.169 29.077 27.740 0.280 0.000 1.688 328 C HN 0.818 nan 8.230 nan 0.000 0.467 329 D N 1.081 121.568 120.400 0.145 0.000 2.304 329 D HA 0.541 5.189 4.640 0.012 0.000 0.250 329 D C -0.331 176.036 176.300 0.111 0.000 1.107 329 D CA 0.196 54.283 54.000 0.145 0.000 0.885 329 D CB 1.807 42.693 40.800 0.144 0.000 1.192 329 D HN 0.545 nan 8.370 nan 0.000 0.436 330 V N 1.164 121.175 119.914 0.163 0.000 2.495 330 V HA 0.659 4.787 4.120 0.012 0.000 0.298 330 V C 0.614 176.808 176.094 0.166 0.000 1.031 330 V CA -0.875 61.478 62.300 0.089 0.000 0.871 330 V CB 2.040 33.908 31.823 0.076 0.000 0.988 330 V HN 0.605 nan 8.190 nan 0.000 0.432 331 G N 3.083 111.874 108.800 -0.016 0.000 2.533 331 G HA2 0.585 4.552 3.960 0.012 0.000 0.310 331 G HA3 0.585 4.552 3.960 0.012 0.000 0.310 331 G C -0.910 174.084 174.900 0.157 0.000 1.266 331 G CA -0.370 44.786 45.100 0.093 0.000 0.967 331 G HN 0.430 nan 8.290 nan 0.000 0.493 332 F N 4.246 124.408 119.950 0.355 0.000 2.487 332 F HA 0.389 4.923 4.527 0.012 0.000 0.364 332 F C 1.186 177.257 175.800 0.452 0.000 1.126 332 F CA -0.034 58.239 58.000 0.455 0.000 1.135 332 F CB 0.538 39.840 39.000 0.504 0.000 1.127 332 F HN 0.451 nan 8.300 nan 0.000 0.559 333 R N 2.972 123.764 120.500 0.486 0.000 2.663 333 R HA 0.419 4.766 4.340 0.012 0.000 0.267 333 R C -1.793 174.683 176.300 0.293 0.000 1.038 333 R CA -0.814 55.420 56.100 0.223 0.000 0.886 333 R CB 1.557 32.007 30.300 0.250 0.000 1.249 333 R HN 0.577 nan 8.270 nan 0.000 0.463 334 E N 2.111 122.394 120.200 0.137 0.000 2.199 334 E HA 0.487 4.845 4.350 0.012 0.000 0.269 334 E C -1.224 175.453 176.600 0.129 0.000 0.899 334 E CA -0.932 55.619 56.400 0.252 0.000 0.772 334 E CB 2.138 32.071 29.700 0.388 0.000 1.155 334 E HN 0.400 nan 8.360 nan 0.000 0.408 335 V N 5.282 125.265 119.914 0.116 0.000 2.448 335 V HA 0.594 4.721 4.120 0.012 0.000 0.295 335 V C -0.239 175.898 176.094 0.073 0.000 1.025 335 V CA -0.649 61.689 62.300 0.064 0.000 0.859 335 V CB 1.252 33.090 31.823 0.027 0.000 0.988 335 V HN 0.765 nan 8.190 nan 0.000 0.431 336 R N 4.120 124.659 120.500 0.064 0.000 2.663 336 R HA 0.718 5.065 4.340 0.012 0.000 0.267 336 R C -2.117 174.212 176.300 0.049 0.000 1.038 336 R CA -0.921 55.220 56.100 0.067 0.000 0.886 336 R CB 1.876 32.230 30.300 0.091 0.000 1.249 336 R HN 0.518 nan 8.270 nan 0.000 0.463 337 I N 1.378 121.977 120.570 0.047 0.000 2.339 337 I HA 0.359 4.537 4.170 0.012 0.000 0.290 337 I C -0.652 175.490 176.117 0.041 0.000 0.994 337 I CA -0.430 60.892 61.300 0.036 0.000 1.191 337 I CB 1.857 39.879 38.000 0.037 0.000 1.343 337 I HN 0.711 nan 8.210 nan 0.000 0.458 338 E N 5.710 125.931 120.200 0.035 0.000 2.290 338 E HA 0.269 4.627 4.350 0.012 0.000 0.274 338 E C -0.260 176.356 176.600 0.027 0.000 0.889 338 E CA -0.535 55.887 56.400 0.037 0.000 0.760 338 E CB 1.077 30.805 29.700 0.047 0.000 1.206 338 E HN 0.526 nan 8.360 nan 0.000 0.419 339 N N 3.002 121.718 118.700 0.025 0.000 2.725 339 N HA -0.233 4.514 4.740 0.012 0.000 0.249 339 N C 0.468 175.986 175.510 0.013 0.000 1.103 339 N CA 2.115 55.176 53.050 0.019 0.000 0.707 339 N CB -1.122 37.375 38.487 0.017 0.000 1.043 339 N HN 0.976 nan 8.380 nan 0.000 0.553 340 G N -2.405 106.403 108.800 0.014 0.000 2.176 340 G HA2 -0.278 3.690 3.960 0.012 0.000 0.253 340 G HA3 -0.278 3.690 3.960 0.012 0.000 0.253 340 G C -0.104 174.793 174.900 -0.005 0.000 0.979 340 G CA 0.453 45.557 45.100 0.006 0.000 0.641 340 G HN 0.443 nan 8.290 nan 0.000 0.530 341 L N 0.109 121.330 121.223 -0.004 0.000 2.346 341 L HA 0.722 5.070 4.340 0.012 0.000 0.274 341 L C 0.052 176.913 176.870 -0.015 0.000 1.007 341 L CA -1.347 53.483 54.840 -0.017 0.000 0.818 341 L CB 1.877 43.926 42.059 -0.018 0.000 1.284 341 L HN 0.097 nan 8.230 nan 0.000 0.424 342 L N 4.323 125.525 121.223 -0.035 0.000 2.278 342 L HA 0.468 4.816 4.340 0.012 0.000 0.287 342 L C -0.866 175.981 176.870 -0.038 0.000 1.072 342 L CA 0.376 55.196 54.840 -0.034 0.000 0.819 342 L CB 0.358 42.382 42.059 -0.058 0.000 1.176 342 L HN 0.383 nan 8.230 nan 0.000 0.435 343 L N 5.765 126.982 121.223 -0.010 0.000 2.342 343 L HA 0.569 4.916 4.340 0.012 0.000 0.271 343 L C -0.866 176.008 176.870 0.007 0.000 1.008 343 L CA -0.853 53.988 54.840 0.002 0.000 0.818 343 L CB 1.959 44.042 42.059 0.040 0.000 1.296 343 L HN 0.538 nan 8.230 nan 0.000 0.427 344 L N 3.300 124.536 121.223 0.022 0.000 2.349 344 L HA 0.488 4.836 4.340 0.012 0.000 0.278 344 L C -0.174 176.703 176.870 0.010 0.000 0.996 344 L CA -0.057 54.804 54.840 0.036 0.000 0.825 344 L CB 1.000 43.103 42.059 0.073 0.000 1.243 344 L HN 0.591 nan 8.230 nan 0.000 0.412 345 N N 4.141 122.700 118.700 -0.235 0.000 2.710 345 N HA -0.227 4.521 4.740 0.012 0.000 0.249 345 N C 0.923 176.001 175.510 -0.719 0.000 1.059 345 N CA 1.366 53.911 53.050 -0.843 0.000 0.720 345 N CB -1.211 36.731 38.487 -0.909 0.000 0.983 345 N HN 1.164 nan 8.380 nan 0.000 0.544 346 G N -1.918 106.785 108.800 -0.162 0.000 2.179 346 G HA2 -0.340 3.627 3.960 0.012 0.000 0.260 346 G HA3 -0.340 3.627 3.960 0.012 0.000 0.260 346 G C -0.077 174.850 174.900 0.044 0.000 0.977 346 G CA 0.836 45.976 45.100 0.067 0.000 0.641 346 G HN 0.480 nan 8.290 nan 0.000 0.533 347 K N 0.749 121.165 120.400 0.027 0.000 2.259 347 K HA 0.508 4.836 4.320 0.012 0.000 0.249 347 K C -2.957 173.618 176.600 -0.042 0.000 0.942 347 K CA -2.026 54.245 56.287 -0.028 0.000 0.816 347 K CB 2.919 35.339 32.500 -0.134 0.000 1.155 347 K HN -0.008 nan 8.250 nan 0.000 0.428 348 P HA 0.188 nan 4.420 nan 0.000 0.282 348 P C -0.224 177.013 177.300 -0.106 0.000 1.274 348 P CA -0.185 62.870 63.100 -0.075 0.000 0.770 348 P CB 0.444 32.103 31.700 -0.068 0.000 0.867 349 L N 3.385 124.541 121.223 -0.112 0.000 2.464 349 L HA 0.290 4.637 4.340 0.012 0.000 0.264 349 L C 0.645 177.433 176.870 -0.137 0.000 1.199 349 L CA -0.582 54.180 54.840 -0.130 0.000 0.818 349 L CB 0.257 42.197 42.059 -0.197 0.000 1.102 349 L HN 0.253 nan 8.230 nan 0.000 0.473 350 L N 3.433 124.592 121.223 -0.107 0.000 2.377 350 L HA 0.421 4.768 4.340 0.012 0.000 0.270 350 L C -0.547 176.271 176.870 -0.087 0.000 0.991 350 L CA -0.254 54.507 54.840 -0.133 0.000 0.851 350 L CB 0.916 42.927 42.059 -0.080 0.000 1.218 350 L HN 0.241 nan 8.230 nan 0.000 0.420 351 I N 5.121 125.566 120.570 -0.208 0.000 2.421 351 I HA 0.191 4.369 4.170 0.012 0.000 0.291 351 I C 0.628 176.704 176.117 -0.069 0.000 1.089 351 I CA 0.227 61.417 61.300 -0.183 0.000 1.354 351 I CB 0.318 38.074 38.000 -0.407 0.000 1.413 351 I HN 0.553 nan 8.210 nan 0.000 0.513 352 R N 4.825 125.379 120.500 0.090 0.000 3.070 352 R HA 0.412 4.759 4.340 0.012 0.000 0.252 352 R C 0.586 177.024 176.300 0.230 0.000 1.370 352 R CA -0.269 55.926 56.100 0.158 0.000 1.482 352 R CB 0.670 30.879 30.300 -0.152 0.000 1.220 352 R HN 0.759 nan 8.270 nan 0.000 0.622 353 G N 0.102 108.999 108.800 0.161 0.000 2.521 353 G HA2 0.569 4.536 3.960 0.012 0.000 0.323 353 G HA3 0.569 4.536 3.960 0.012 0.000 0.323 353 G C -1.226 174.022 174.900 0.579 0.000 1.211 353 G CA -0.427 44.776 45.100 0.170 0.000 0.979 353 G HN 0.223 nan 8.290 nan 0.000 0.490 354 V N -0.098 120.127 119.914 0.518 0.000 3.012 354 V HA 0.458 4.585 4.120 0.012 0.000 0.307 354 V C -1.163 175.079 176.094 0.248 0.000 1.166 354 V CA -1.207 61.264 62.300 0.286 0.000 0.974 354 V CB 2.221 33.894 31.823 -0.250 0.000 1.040 354 V HN 0.770 nan 8.190 nan 0.000 0.428 355 N N 4.206 122.974 118.700 0.114 0.000 2.499 355 N HA 0.444 5.191 4.740 0.012 0.000 0.281 355 N C -0.765 174.587 175.510 -0.262 0.000 1.098 355 N CA -0.327 52.665 53.050 -0.096 0.000 0.979 355 N CB 1.549 39.963 38.487 -0.121 0.000 1.121 355 N HN 0.624 nan 8.380 nan 0.000 0.466 356 R N 2.175 122.479 120.500 -0.325 0.000 2.502 356 R HA 0.230 4.577 4.340 0.012 0.000 0.300 356 R C -0.836 175.238 176.300 -0.377 0.000 0.984 356 R CA -0.547 55.378 56.100 -0.291 0.000 0.882 356 R CB 0.866 30.963 30.300 -0.340 0.000 1.180 356 R HN 0.594 nan 8.270 nan 0.000 0.444 357 H N 2.072 121.014 119.070 -0.213 0.000 2.508 357 H HA 0.140 4.703 4.556 0.013 0.000 0.358 357 H C -0.489 174.845 175.328 0.009 0.000 1.212 357 H CA 0.020 56.025 56.048 -0.072 0.000 1.356 357 H CB 1.414 31.204 29.762 0.046 0.000 1.525 357 H HN 0.550 nan 8.280 nan 0.000 0.578 358 E N 1.543 121.938 120.200 0.326 0.000 2.014 358 E HA 0.126 4.484 4.350 0.012 0.000 0.275 358 E C -0.839 175.922 176.600 0.270 0.000 0.997 358 E CA -0.091 56.424 56.400 0.191 0.000 0.804 358 E CB 0.433 30.268 29.700 0.226 0.000 1.090 358 E HN 0.384 nan 8.360 nan 0.000 0.401 359 H N 1.720 120.860 119.070 0.117 0.000 2.954 359 H HA 0.267 4.830 4.556 0.012 0.000 0.361 359 H C -1.722 173.671 175.328 0.108 0.000 1.122 359 H CA -0.641 55.475 56.048 0.112 0.000 1.217 359 H CB 1.121 30.940 29.762 0.095 0.000 1.776 359 H HN 0.407 nan 8.280 nan 0.000 0.533 360 H N 5.944 124.604 119.070 -0.683 0.000 2.667 360 H HA 0.226 4.790 4.556 0.012 0.000 0.353 360 H C -2.353 172.587 175.328 -0.647 0.000 1.072 360 H CA -2.401 53.392 56.048 -0.426 0.000 1.214 360 H CB 2.823 32.488 29.762 -0.162 0.000 1.600 360 H HN 0.536 nan 8.280 nan 0.000 0.527 361 P HA -0.045 nan 4.420 nan 0.000 0.223 361 P C 1.103 178.316 177.300 -0.145 0.000 1.151 361 P CA 0.691 63.655 63.100 -0.226 0.000 0.787 361 P CB 0.837 32.440 31.700 -0.162 0.000 0.788 362 L N -1.538 119.706 121.223 0.036 0.000 2.362 362 L HA 0.121 4.468 4.340 0.012 0.000 0.204 362 L C 2.346 179.049 176.870 -0.280 0.000 1.060 362 L CA 0.686 55.421 54.840 -0.175 0.000 0.827 362 L CB -0.852 40.952 42.059 -0.425 0.000 1.027 362 L HN -0.027 nan 8.230 nan 0.000 0.474 363 H N 0.052 119.096 119.070 -0.043 0.000 2.551 363 H HA 0.311 4.874 4.556 0.012 0.000 0.271 363 H C 1.381 176.606 175.328 -0.171 0.000 0.984 363 H CA 0.502 56.421 56.048 -0.215 0.000 1.164 363 H CB 0.258 29.749 29.762 -0.451 0.000 1.437 363 H HN 0.375 nan 8.280 nan 0.000 0.550 364 G N 1.459 110.187 108.800 -0.120 0.000 2.559 364 G HA2 -0.348 3.619 3.960 0.012 0.000 0.282 364 G HA3 -0.348 3.619 3.960 0.012 0.000 0.282 364 G C 0.700 175.528 174.900 -0.120 0.000 1.177 364 G CA 0.311 45.292 45.100 -0.198 0.000 0.960 364 G HN 0.436 nan 8.290 nan 0.000 0.540 365 Q N -0.091 119.670 119.800 -0.065 0.000 2.220 365 Q HA 0.461 4.808 4.340 0.012 0.000 0.205 365 Q C 0.323 176.432 176.000 0.181 0.000 0.865 365 Q CA -0.117 55.699 55.803 0.021 0.000 0.960 365 Q CB 1.256 29.897 28.738 -0.162 0.000 1.097 365 Q HN 0.354 nan 8.270 nan 0.000 0.493 366 V N 2.142 122.133 119.914 0.128 0.000 2.461 366 V HA 0.174 4.302 4.120 0.012 0.000 0.275 366 V C 0.193 176.334 176.094 0.078 0.000 1.047 366 V CA 0.162 62.537 62.300 0.125 0.000 0.955 366 V CB 0.995 32.826 31.823 0.014 0.000 0.988 366 V HN 0.312 nan 8.190 nan 0.000 0.471 367 M N 4.671 124.319 119.600 0.081 0.000 2.537 367 M HA 0.515 5.003 4.480 0.012 0.000 0.324 367 M C -0.544 175.707 176.300 -0.081 0.000 1.187 367 M CA -0.574 54.728 55.300 0.003 0.000 0.993 367 M CB 1.675 34.244 32.600 -0.051 0.000 1.666 367 M HN 0.924 nan 8.290 nan 0.000 0.461 368 D N -1.456 118.904 120.400 -0.067 0.000 2.581 368 D HA 0.239 4.887 4.640 0.012 0.000 0.232 368 D C 0.341 176.620 176.300 -0.036 0.000 1.143 368 D CA -0.708 53.255 54.000 -0.062 0.000 0.881 368 D CB 1.465 42.249 40.800 -0.027 0.000 1.500 368 D HN 0.694 nan 8.370 nan 0.000 0.458 369 E N -0.010 120.181 120.200 -0.015 0.000 2.085 369 E HA -0.339 4.019 4.350 0.012 0.000 0.194 369 E C 1.563 178.206 176.600 0.072 0.000 0.994 369 E CA 1.264 57.684 56.400 0.035 0.000 0.801 369 E CB 0.129 29.865 29.700 0.060 0.000 0.743 369 E HN 0.613 nan 8.360 nan 0.000 0.453 370 Q N -0.322 119.522 119.800 0.074 0.000 2.084 370 Q HA -0.147 4.201 4.340 0.012 0.000 0.202 370 Q C 2.015 178.078 176.000 0.105 0.000 0.978 370 Q CA 2.069 57.926 55.803 0.090 0.000 0.844 370 Q CB -0.000 28.792 28.738 0.091 0.000 0.898 370 Q HN 0.314 nan 8.270 nan 0.000 0.426 371 T N 0.848 115.473 114.554 0.119 0.000 2.777 371 T HA -0.103 4.255 4.350 0.012 0.000 0.266 371 T C 1.867 176.651 174.700 0.138 0.000 1.040 371 T CA 1.288 63.474 62.100 0.142 0.000 1.141 371 T CB -0.113 68.869 68.868 0.191 0.000 0.868 371 T HN 0.280 nan 8.240 nan 0.000 0.444 372 M N 0.585 120.266 119.600 0.136 0.000 2.086 372 M HA -0.095 4.393 4.480 0.012 0.000 0.261 372 M C 2.479 178.898 176.300 0.199 0.000 1.067 372 M CA 1.326 56.776 55.300 0.250 0.000 1.116 372 M CB -0.641 32.139 32.600 0.300 0.000 1.348 372 M HN 0.091 nan 8.290 nan 0.000 0.407 373 V N 0.416 120.385 119.914 0.091 0.000 2.332 373 V HA -0.323 3.804 4.120 0.012 0.000 0.248 373 V C 2.351 178.430 176.094 -0.025 0.000 1.055 373 V CA 2.227 64.511 62.300 -0.027 0.000 1.038 373 V CB -0.933 30.913 31.823 0.038 0.000 0.651 373 V HN 0.577 nan 8.190 nan 0.000 0.450 374 Q N -0.267 119.571 119.800 0.064 0.000 2.061 374 Q HA -0.283 4.065 4.340 0.012 0.000 0.204 374 Q C 1.980 178.060 176.000 0.133 0.000 0.984 374 Q CA 2.271 58.131 55.803 0.094 0.000 0.846 374 Q CB -0.177 28.630 28.738 0.115 0.000 0.902 374 Q HN 0.621 nan 8.270 nan 0.000 0.421 375 D N 0.348 120.850 120.400 0.169 0.000 2.097 375 D HA -0.140 4.508 4.640 0.012 0.000 0.195 375 D C 1.934 178.214 176.300 -0.033 0.000 0.989 375 D CA 1.148 55.261 54.000 0.188 0.000 0.827 375 D CB -0.194 40.704 40.800 0.163 0.000 0.966 375 D HN 0.364 nan 8.370 nan 0.000 0.456 376 I N 0.603 121.131 120.570 -0.070 0.000 2.226 376 I HA -0.233 3.944 4.170 0.012 0.000 0.245 376 I C 2.419 178.398 176.117 -0.229 0.000 1.100 376 I CA 0.594 61.734 61.300 -0.266 0.000 1.374 376 I CB -0.111 37.586 38.000 -0.507 0.000 1.057 376 I HN 0.018 nan 8.210 nan 0.000 0.413 377 L N 0.157 121.287 121.223 -0.155 0.000 1.989 377 L HA -0.253 4.095 4.340 0.012 0.000 0.211 377 L C 2.576 179.514 176.870 0.113 0.000 1.071 377 L CA 1.575 56.417 54.840 0.003 0.000 0.749 377 L CB -0.632 41.459 42.059 0.053 0.000 0.890 377 L HN 0.290 nan 8.230 nan 0.000 0.431 378 L N -1.034 120.281 121.223 0.154 0.000 2.131 378 L HA -0.243 4.104 4.340 0.012 0.000 0.210 378 L C 2.665 179.706 176.870 0.285 0.000 1.092 378 L CA 1.231 56.246 54.840 0.292 0.000 0.759 378 L CB -0.271 42.073 42.059 0.476 0.000 0.903 378 L HN 0.322 nan 8.230 nan 0.000 0.435 379 M N -0.764 118.822 119.600 -0.022 0.000 2.132 379 M HA -0.212 4.276 4.480 0.012 0.000 0.263 379 M C 2.249 178.621 176.300 0.120 0.000 1.065 379 M CA 1.781 56.998 55.300 -0.138 0.000 1.122 379 M CB -0.221 32.071 32.600 -0.514 0.000 1.365 379 M HN 0.068 nan 8.290 nan 0.000 0.411 380 K N -0.058 120.318 120.400 -0.040 0.000 2.097 380 K HA -0.146 4.181 4.320 0.012 0.000 0.205 380 K C 1.929 178.503 176.600 -0.044 0.000 1.050 380 K CA 1.155 57.316 56.287 -0.209 0.000 0.938 380 K CB -0.171 31.976 32.500 -0.589 0.000 0.718 380 K HN 0.433 nan 8.250 nan 0.000 0.442 381 Q N 0.441 120.379 119.800 0.230 0.000 2.364 381 Q HA -0.049 4.299 4.340 0.012 0.000 0.209 381 Q C 0.775 177.069 176.000 0.490 0.000 0.977 381 Q CA 0.769 56.827 55.803 0.425 0.000 0.885 381 Q CB 0.123 29.098 28.738 0.394 0.000 0.941 381 Q HN 0.261 nan 8.270 nan 0.000 0.464 382 N N 0.564 119.510 118.700 0.409 0.000 2.273 382 N HA 0.055 4.803 4.740 0.012 0.000 0.231 382 N C -0.638 174.996 175.510 0.207 0.000 1.134 382 N CA 0.027 53.318 53.050 0.402 0.000 0.856 382 N CB 0.704 39.508 38.487 0.529 0.000 1.068 382 N HN 0.158 nan 8.380 nan 0.000 0.510 383 N N 0.182 119.004 118.700 0.204 0.000 2.776 383 N HA -0.186 4.562 4.740 0.012 0.000 0.250 383 N C -0.877 174.563 175.510 -0.117 0.000 1.112 383 N CA 0.801 53.921 53.050 0.117 0.000 0.733 383 N CB -1.743 36.734 38.487 -0.017 0.000 1.097 383 N HN 0.250 nan 8.380 nan 0.000 0.558 384 F N 1.068 121.045 119.950 0.045 0.000 2.379 384 F HA 0.319 4.853 4.527 0.012 0.000 0.332 384 F C 1.753 177.555 175.800 0.002 0.000 1.096 384 F CA -0.593 57.418 58.000 0.019 0.000 1.105 384 F CB 0.854 39.843 39.000 -0.019 0.000 1.189 384 F HN 0.043 nan 8.300 nan 0.000 0.515 385 N N 0.638 119.465 118.700 0.213 0.000 2.160 385 N HA 0.445 5.192 4.740 0.012 0.000 0.226 385 N C -0.879 174.700 175.510 0.115 0.000 1.256 385 N CA -0.024 53.081 53.050 0.091 0.000 0.890 385 N CB 0.766 39.358 38.487 0.174 0.000 1.116 385 N HN 0.476 nan 8.380 nan 0.000 0.517 386 A N -0.547 122.414 122.820 0.235 0.000 2.594 386 A HA 0.744 5.071 4.320 0.012 0.000 0.295 386 A C -1.814 176.012 177.584 0.404 0.000 1.071 386 A CA -0.710 51.532 52.037 0.341 0.000 0.685 386 A CB 1.815 21.036 19.000 0.368 0.000 1.285 386 A HN 0.215 nan 8.150 nan 0.000 0.405 387 V N 1.329 121.518 119.914 0.459 0.000 2.760 387 V HA 0.796 4.923 4.120 0.012 0.000 0.309 387 V C -0.547 175.664 176.094 0.196 0.000 1.077 387 V CA -0.660 61.848 62.300 0.346 0.000 0.910 387 V CB 1.831 33.791 31.823 0.229 0.000 1.008 387 V HN 1.151 nan 8.190 nan 0.000 0.424 388 R N 4.861 125.306 120.500 -0.091 0.000 2.460 388 R HA 0.503 4.850 4.340 0.012 0.000 0.303 388 R C -0.736 175.413 176.300 -0.252 0.000 0.968 388 R CA -0.459 55.404 56.100 -0.394 0.000 0.889 388 R CB 1.308 31.141 30.300 -0.779 0.000 1.123 388 R HN 0.776 nan 8.270 nan 0.000 0.455 389 C N 4.339 123.516 119.300 -0.204 0.000 3.025 389 C HA 0.146 4.614 4.460 0.012 0.000 0.547 389 C C 0.404 175.106 174.990 -0.479 0.000 1.058 389 C CA -0.431 58.419 59.018 -0.280 0.000 1.164 389 C CB -2.051 25.640 27.740 -0.082 0.000 1.405 389 C HN 0.715 nan 8.230 nan 0.000 0.610 390 S N 1.324 116.618 115.700 -0.676 0.000 2.488 390 S HA 0.220 4.698 4.470 0.012 0.000 0.278 390 S C -0.139 173.541 174.600 -1.534 0.000 1.259 390 S CA 0.068 57.616 58.200 -1.088 0.000 1.061 390 S CB 0.245 62.751 63.200 -1.158 0.000 0.910 390 S HN 0.721 nan 8.310 nan 0.000 0.491 391 H N 3.625 122.075 119.070 -1.033 0.000 2.511 391 H HA 0.321 4.884 4.556 0.012 0.000 0.228 391 H C -1.209 174.046 175.328 -0.123 0.000 1.424 391 H CA -0.331 55.514 56.048 -0.339 0.000 1.321 391 H CB -0.165 29.605 29.762 0.012 0.000 1.720 391 H HN 0.893 nan 8.280 nan 0.000 0.512 392 Y N -2.949 117.453 120.300 0.170 0.000 2.765 392 Y HA 0.382 4.940 4.550 0.013 0.000 0.350 392 Y C -3.332 172.674 175.900 0.176 0.000 1.196 392 Y CA -2.970 55.238 58.100 0.181 0.000 1.119 392 Y CB 0.031 38.604 38.460 0.188 0.000 1.368 392 Y HN -0.089 nan 8.280 nan 0.000 0.463 393 P HA 0.141 nan 4.420 nan 0.000 0.268 393 P C -0.640 176.947 177.300 0.477 0.000 1.205 393 P CA 0.185 63.534 63.100 0.415 0.000 0.771 393 P CB 0.575 32.456 31.700 0.301 0.000 0.858 394 N N 0.381 119.376 118.700 0.492 0.000 2.478 394 N HA 0.099 4.847 4.740 0.012 0.000 0.275 394 N C 0.089 175.851 175.510 0.419 0.000 1.221 394 N CA -0.613 52.645 53.050 0.347 0.000 0.979 394 N CB 0.366 38.850 38.487 -0.005 0.000 1.202 394 N HN 0.601 nan 8.380 nan 0.000 0.564 395 H N 2.187 121.372 119.070 0.191 0.000 3.038 395 H HA -0.010 4.554 4.556 0.012 0.000 0.338 395 H C -1.608 173.897 175.328 0.296 0.000 1.041 395 H CA -0.664 55.481 56.048 0.162 0.000 1.394 395 H CB 0.996 30.819 29.762 0.101 0.000 1.357 395 H HN 0.441 nan 8.280 nan 0.000 0.600 396 P HA -0.212 nan 4.420 nan 0.000 0.216 396 P C 1.822 179.444 177.300 0.537 0.000 1.150 396 P CA 0.751 64.088 63.100 0.395 0.000 0.843 396 P CB 0.211 31.993 31.700 0.137 0.000 0.787 397 L N -1.017 120.597 121.223 0.651 0.000 2.265 397 L HA -0.051 4.297 4.340 0.012 0.000 0.215 397 L C 2.406 179.474 176.870 0.330 0.000 1.117 397 L CA 1.291 56.386 54.840 0.424 0.000 0.782 397 L CB -1.435 40.818 42.059 0.323 0.000 0.914 397 L HN 0.037 nan 8.230 nan 0.000 0.441 398 W N -0.553 120.802 121.300 0.093 0.000 2.338 398 W HA -0.339 4.329 4.660 0.012 0.000 0.304 398 W C 2.057 178.451 176.519 -0.208 0.000 1.212 398 W CA 1.862 59.123 57.345 -0.140 0.000 1.264 398 W CB -0.331 28.942 29.460 -0.312 0.000 1.142 398 W HN 0.271 nan 8.180 nan 0.000 0.512 399 Y N 0.878 121.128 120.300 -0.084 0.000 2.181 399 Y HA -0.233 4.325 4.550 0.012 0.000 0.288 399 Y C 2.854 178.540 175.900 -0.358 0.000 1.146 399 Y CA 2.196 60.018 58.100 -0.464 0.000 1.164 399 Y CB -1.383 36.459 38.460 -1.030 0.000 0.982 399 Y HN -0.217 nan 8.280 nan 0.000 0.515 400 T N 0.863 115.451 114.554 0.057 0.000 2.684 400 T HA -0.194 4.163 4.350 0.012 0.000 0.267 400 T C 2.031 176.784 174.700 0.088 0.000 1.036 400 T CA 1.631 63.836 62.100 0.175 0.000 1.148 400 T CB -0.643 68.373 68.868 0.246 0.000 0.863 400 T HN 0.233 nan 8.240 nan 0.000 0.436 401 L N 0.341 121.573 121.223 0.015 0.000 2.017 401 L HA -0.119 4.229 4.340 0.012 0.000 0.208 401 L C 2.915 179.755 176.870 -0.051 0.000 1.073 401 L CA 1.045 55.905 54.840 0.033 0.000 0.745 401 L CB -0.727 41.292 42.059 -0.068 0.000 0.894 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.367 118.735 119.300 -0.330 0.000 2.440 402 C HA -0.124 4.343 4.460 0.012 0.000 0.278 402 C C 2.392 177.424 174.990 0.071 0.000 1.295 402 C CA 0.271 59.135 59.018 -0.257 0.000 1.738 402 C CB -0.812 26.673 27.740 -0.425 0.000 1.987 402 C HN 0.535 nan 8.230 nan 0.000 0.492 403 D N 0.606 121.059 120.400 0.088 0.000 2.117 403 D HA -0.099 4.548 4.640 0.012 0.000 0.197 403 D C 2.390 178.909 176.300 0.366 0.000 0.987 403 D CA 1.190 55.324 54.000 0.224 0.000 0.829 403 D CB -0.324 40.570 40.800 0.157 0.000 0.961 403 D HN 0.537 nan 8.370 nan 0.000 0.460 404 R N -0.996 119.616 120.500 0.187 0.000 2.080 404 R HA 0.011 4.358 4.340 0.012 0.000 0.222 404 R C 2.088 178.377 176.300 -0.020 0.000 1.107 404 R CA 0.595 56.740 56.100 0.074 0.000 0.980 404 R CB -0.179 30.096 30.300 -0.041 0.000 0.879 404 R HN 0.279 nan 8.270 nan 0.000 0.439 405 Y N -0.093 120.219 120.300 0.020 0.000 2.448 405 Y HA 0.178 4.736 4.550 0.012 0.000 0.289 405 Y C 0.978 176.806 175.900 -0.120 0.000 1.114 405 Y CA 0.756 58.838 58.100 -0.029 0.000 1.235 405 Y CB 0.697 39.112 38.460 -0.075 0.000 1.045 405 Y HN 0.241 nan 8.280 nan 0.000 0.554 406 G N 1.170 110.003 108.800 0.055 0.000 2.858 406 G HA2 -0.140 3.827 3.960 0.012 0.000 0.272 406 G HA3 -0.140 3.827 3.960 0.012 0.000 0.272 406 G C -1.192 173.548 174.900 -0.267 0.000 1.003 406 G CA -0.582 44.415 45.100 -0.173 0.000 1.241 406 G HN 0.163 nan 8.290 nan 0.000 0.569 407 L N 0.974 122.120 121.223 -0.129 0.000 2.455 407 L HA 0.513 4.860 4.340 0.012 0.000 0.264 407 L C -0.012 176.865 176.870 0.011 0.000 0.968 407 L CA -1.264 53.465 54.840 -0.186 0.000 0.827 407 L CB 2.034 44.003 42.059 -0.150 0.000 1.317 407 L HN 0.455 nan 8.230 nan 0.000 0.407 408 Y N 1.712 122.149 120.300 0.228 0.000 2.309 408 Y HA 0.424 4.982 4.550 0.014 0.000 0.327 408 Y C 0.144 176.173 175.900 0.217 0.000 1.172 408 Y CA -0.756 57.514 58.100 0.282 0.000 1.280 408 Y CB 1.521 40.123 38.460 0.237 0.000 1.234 408 Y HN 0.159 nan 8.280 nan 0.000 0.512 409 V N 4.160 124.264 119.914 0.318 0.000 2.604 409 V HA 0.300 4.427 4.120 0.012 0.000 0.305 409 V C -0.631 175.534 176.094 0.118 0.000 1.043 409 V CA -0.992 61.425 62.300 0.194 0.000 0.888 409 V CB 1.861 33.757 31.823 0.121 0.000 0.995 409 V HN 0.444 nan 8.190 nan 0.000 0.429 410 V N 3.303 123.252 119.914 0.058 0.000 2.333 410 V HA 0.337 4.465 4.120 0.012 0.000 0.274 410 V C -0.302 175.814 176.094 0.037 0.000 1.028 410 V CA -0.346 61.941 62.300 -0.022 0.000 0.851 410 V CB 1.431 33.136 31.823 -0.197 0.000 1.000 410 V HN 0.868 nan 8.190 nan 0.000 0.456 411 D N 4.221 124.686 120.400 0.108 0.000 2.249 411 D HA 0.321 4.968 4.640 0.012 0.000 0.246 411 D C -0.258 176.229 176.300 0.313 0.000 1.114 411 D CA -0.093 54.072 54.000 0.274 0.000 0.854 411 D CB 1.353 42.361 40.800 0.346 0.000 1.132 411 D HN 0.691 nan 8.370 nan 0.000 0.461 412 E N 1.928 122.281 120.200 0.254 0.000 2.199 412 E HA 0.607 4.965 4.350 0.012 0.000 0.265 412 E C -0.995 175.747 176.600 0.237 0.000 0.882 412 E CA -1.048 55.489 56.400 0.228 0.000 0.759 412 E CB 1.347 31.132 29.700 0.142 0.000 1.148 412 E HN 0.462 nan 8.360 nan 0.000 0.412 413 A N 3.918 126.872 122.820 0.223 0.000 2.531 413 A HA 0.014 4.342 4.320 0.012 0.000 0.236 413 A C 0.339 178.052 177.584 0.214 0.000 1.062 413 A CA -0.109 52.038 52.037 0.183 0.000 0.760 413 A CB 0.085 19.159 19.000 0.123 0.000 0.995 413 A HN 0.694 nan 8.150 nan 0.000 0.501 414 N N 1.405 120.237 118.700 0.220 0.000 3.050 414 N HA 0.283 5.030 4.740 0.012 0.000 0.289 414 N C -1.027 174.615 175.510 0.219 0.000 1.209 414 N CA 0.129 53.342 53.050 0.271 0.000 1.154 414 N CB -0.805 37.842 38.487 0.267 0.000 1.444 414 N HN 0.474 nan 8.380 nan 0.000 0.529 415 I N 0.846 121.541 120.570 0.208 0.000 2.503 415 I HA 0.286 4.463 4.170 0.012 0.000 0.282 415 I C -0.560 175.663 176.117 0.177 0.000 1.059 415 I CA -0.648 60.757 61.300 0.175 0.000 1.081 415 I CB 1.680 39.755 38.000 0.124 0.000 1.210 415 I HN 0.229 nan 8.210 nan 0.000 0.450 416 E N 4.254 124.554 120.200 0.166 0.000 2.274 416 E HA 0.383 4.740 4.350 0.012 0.000 0.269 416 E C -0.462 176.206 176.600 0.113 0.000 0.891 416 E CA -0.494 55.975 56.400 0.116 0.000 0.784 416 E CB 1.593 31.351 29.700 0.096 0.000 1.225 416 E HN 0.605 nan 8.360 nan 0.000 0.412 417 T N 0.619 115.231 114.554 0.095 0.000 3.355 417 T HA 0.156 4.513 4.350 0.012 0.000 0.276 417 T C 0.925 175.675 174.700 0.083 0.000 1.003 417 T CA -0.296 61.885 62.100 0.134 0.000 0.943 417 T CB -0.299 68.631 68.868 0.103 0.000 1.158 417 T HN 0.669 nan 8.240 nan 0.000 0.513 418 H N 1.230 120.220 119.070 -0.133 0.000 2.357 418 H HA -0.087 4.477 4.556 0.013 0.000 0.296 418 H C 2.310 177.519 175.328 -0.198 0.000 1.108 418 H CA 1.359 57.299 56.048 -0.180 0.000 1.273 418 H CB -0.210 29.408 29.762 -0.241 0.000 1.367 418 H HN 0.580 nan 8.280 nan 0.000 0.498 419 G N 0.138 108.803 108.800 -0.225 0.000 2.776 419 G HA2 -0.051 3.917 3.960 0.012 0.000 0.209 419 G HA3 -0.051 3.917 3.960 0.012 0.000 0.209 419 G C 0.477 175.485 174.900 0.181 0.000 1.145 419 G CA -0.108 44.885 45.100 -0.179 0.000 0.791 419 G HN 0.148 nan 8.290 nan 0.000 0.530 420 M N 0.213 119.959 119.600 0.243 0.000 2.202 420 M HA 0.355 4.842 4.480 0.012 0.000 0.316 420 M C -0.351 175.985 176.300 0.060 0.000 1.138 420 M CA -0.367 55.033 55.300 0.166 0.000 1.151 420 M CB 1.417 34.067 32.600 0.083 0.000 1.422 420 M HN -0.210 nan 8.290 nan 0.000 0.471 421 V N 3.418 123.346 119.914 0.022 0.000 2.482 421 V HA 0.367 4.494 4.120 0.012 0.000 0.295 421 V C -1.952 174.132 176.094 -0.015 0.000 1.026 421 V CA -1.319 60.979 62.300 -0.004 0.000 0.856 421 V CB 1.831 33.646 31.823 -0.014 0.000 1.001 421 V HN 0.740 nan 8.190 nan 0.000 0.424 422 P HA 0.201 nan 4.420 nan 0.000 0.274 422 P C 0.937 178.239 177.300 0.002 0.000 1.260 422 P CA -0.431 62.663 63.100 -0.010 0.000 0.793 422 P CB 1.037 32.732 31.700 -0.008 0.000 1.048 423 M N 0.660 120.267 119.600 0.012 0.000 2.279 423 M HA -0.159 4.329 4.480 0.012 0.000 0.264 423 M C 1.213 177.536 176.300 0.039 0.000 1.062 423 M CA 1.670 56.988 55.300 0.030 0.000 1.099 423 M CB -0.459 32.150 32.600 0.015 0.000 1.394 423 M HN 0.369 nan 8.290 nan 0.000 0.426 424 N N -0.062 118.661 118.700 0.040 0.000 2.313 424 N HA -0.080 4.668 4.740 0.012 0.000 0.207 424 N C 1.132 176.629 175.510 -0.021 0.000 1.141 424 N CA 0.167 53.244 53.050 0.046 0.000 0.830 424 N CB -0.736 37.799 38.487 0.079 0.000 1.008 424 N HN 0.365 nan 8.380 nan 0.000 0.481 425 R N 0.408 120.880 120.500 -0.047 0.000 2.103 425 R HA -0.032 4.316 4.340 0.012 0.000 0.242 425 R C 1.419 177.624 176.300 -0.158 0.000 1.142 425 R CA 1.404 57.450 56.100 -0.088 0.000 0.960 425 R CB -0.046 30.198 30.300 -0.092 0.000 0.858 425 R HN 0.299 nan 8.270 nan 0.000 0.439 426 L N -0.695 120.373 121.223 -0.258 0.000 2.168 426 L HA -0.009 4.339 4.340 0.012 0.000 0.203 426 L C 2.508 179.254 176.870 -0.207 0.000 1.078 426 L CA 1.295 55.864 54.840 -0.451 0.000 0.780 426 L CB -0.538 41.007 42.059 -0.856 0.000 0.939 426 L HN 0.354 nan 8.230 nan 0.000 0.451 427 T N -4.173 110.290 114.554 -0.151 0.000 3.007 427 T HA -0.175 4.183 4.350 0.012 0.000 0.270 427 T C 1.263 175.888 174.700 -0.125 0.000 1.107 427 T CA 1.290 63.284 62.100 -0.176 0.000 1.118 427 T CB -0.234 68.484 68.868 -0.249 0.000 0.889 427 T HN 0.121 nan 8.240 nan 0.000 0.506 428 D N 1.033 121.393 120.400 -0.068 0.000 2.349 428 D HA 0.104 4.752 4.640 0.012 0.000 0.214 428 D C -0.251 176.037 176.300 -0.020 0.000 1.063 428 D CA -0.227 53.743 54.000 -0.049 0.000 0.847 428 D CB -0.057 40.718 40.800 -0.041 0.000 0.933 428 D HN 0.317 nan 8.370 nan 0.000 0.513 429 D N -0.003 120.402 120.400 0.009 0.000 2.317 429 D HA 0.117 4.764 4.640 0.012 0.000 0.234 429 D C -1.627 174.730 176.300 0.094 0.000 1.112 429 D CA -2.202 51.840 54.000 0.070 0.000 0.840 429 D CB 2.020 42.907 40.800 0.146 0.000 1.078 429 D HN -0.017 nan 8.370 nan 0.000 0.486 430 P HA -0.119 nan 4.420 nan 0.000 0.222 430 P C 0.875 178.177 177.300 0.004 0.000 1.147 430 P CA 0.633 63.743 63.100 0.017 0.000 0.790 430 P CB 0.335 32.034 31.700 -0.002 0.000 0.780 431 R N -1.629 118.881 120.500 0.017 0.000 2.235 431 R HA -0.048 4.300 4.340 0.012 0.000 0.213 431 R C 1.418 177.576 176.300 -0.237 0.000 1.059 431 R CA 0.899 56.934 56.100 -0.107 0.000 0.997 431 R CB -0.677 29.544 30.300 -0.131 0.000 0.884 431 R HN 0.352 nan 8.270 nan 0.000 0.462 432 W N 0.288 121.536 121.300 -0.087 0.000 3.278 432 W HA 0.148 4.815 4.660 0.012 0.000 0.308 432 W C 1.573 178.037 176.519 -0.093 0.000 1.253 432 W CA -0.540 56.754 57.345 -0.087 0.000 1.759 432 W CB 0.016 29.424 29.460 -0.087 0.000 1.093 432 W HN -0.016 nan 8.180 nan 0.000 0.648 433 L N 2.134 123.381 121.223 0.040 0.000 2.046 433 L HA -0.038 4.310 4.340 0.012 0.000 0.208 433 L C -0.688 176.146 176.870 -0.060 0.000 1.077 433 L CA 2.201 57.030 54.840 -0.019 0.000 0.747 433 L CB -1.574 40.464 42.059 -0.036 0.000 0.896 433 L HN -0.241 nan 8.230 nan 0.000 0.432 434 P HA -0.122 nan 4.420 nan 0.000 0.216 434 P C 1.560 178.804 177.300 -0.093 0.000 1.153 434 P CA 2.040 65.076 63.100 -0.106 0.000 0.848 434 P CB -0.195 31.432 31.700 -0.122 0.000 0.787 435 A N -1.014 121.762 122.820 -0.073 0.000 1.898 435 A HA -0.159 4.169 4.320 0.012 0.000 0.216 435 A C 2.225 179.819 177.584 0.018 0.000 1.181 435 A CA 1.752 53.779 52.037 -0.017 0.000 0.620 435 A CB -1.429 17.589 19.000 0.029 0.000 0.819 435 A HN 0.091 nan 8.150 nan 0.000 0.442 436 M N 0.339 119.959 119.600 0.033 0.000 2.175 436 M HA -0.152 4.336 4.480 0.012 0.000 0.264 436 M C 2.541 178.788 176.300 -0.089 0.000 1.063 436 M CA 1.718 57.014 55.300 -0.006 0.000 1.119 436 M CB -0.374 32.200 32.600 -0.042 0.000 1.377 436 M HN 0.664 nan 8.290 nan 0.000 0.415 437 S N 0.410 116.029 115.700 -0.135 0.000 2.370 437 S HA -0.207 4.270 4.470 0.012 0.000 0.226 437 S C 1.655 176.085 174.600 -0.284 0.000 1.033 437 S CA 1.585 59.635 58.200 -0.249 0.000 1.011 437 S CB -0.626 62.405 63.200 -0.282 0.000 0.852 437 S HN 0.526 nan 8.310 nan 0.000 0.457 438 E N 0.984 121.071 120.200 -0.188 0.000 2.153 438 E HA -0.101 4.257 4.350 0.012 0.000 0.194 438 E C 2.462 178.979 176.600 -0.138 0.000 0.988 438 E CA 0.980 57.280 56.400 -0.167 0.000 0.811 438 E CB -0.136 29.502 29.700 -0.103 0.000 0.746 438 E HN 0.592 nan 8.360 nan 0.000 0.466 439 R N 0.084 120.532 120.500 -0.087 0.000 2.115 439 R HA -0.069 4.278 4.340 0.012 0.000 0.230 439 R C 2.318 178.578 176.300 -0.066 0.000 1.111 439 R CA 0.703 56.783 56.100 -0.034 0.000 0.976 439 R CB -0.008 30.311 30.300 0.032 0.000 0.870 439 R HN 0.017 nan 8.270 nan 0.000 0.445 440 V N 0.317 120.147 119.914 -0.141 0.000 2.300 440 V HA -0.196 3.931 4.120 0.012 0.000 0.241 440 V C 2.531 178.449 176.094 -0.294 0.000 1.034 440 V CA 2.212 64.407 62.300 -0.175 0.000 1.021 440 V CB -0.455 31.251 31.823 -0.195 0.000 0.662 440 V HN 0.520 nan 8.190 nan 0.000 0.458 441 T N -0.817 113.424 114.554 -0.522 0.000 2.788 441 T HA -0.242 4.116 4.350 0.012 0.000 0.268 441 T C 1.929 176.472 174.700 -0.262 0.000 1.044 441 T CA 1.444 63.153 62.100 -0.651 0.000 1.139 441 T CB -0.414 67.865 68.868 -0.981 0.000 0.867 441 T HN 0.395 nan 8.240 nan 0.000 0.454 442 R N 0.182 120.554 120.500 -0.212 0.000 2.148 442 R HA 0.210 4.558 4.340 0.012 0.000 0.227 442 R C 2.627 178.854 176.300 -0.123 0.000 1.103 442 R CA 1.316 57.329 56.100 -0.145 0.000 0.983 442 R CB -0.439 29.783 30.300 -0.131 0.000 0.874 442 R HN 0.501 nan 8.270 nan 0.000 0.451 443 M N 0.493 120.030 119.600 -0.105 0.000 2.099 443 M HA -0.133 4.354 4.480 0.012 0.000 0.262 443 M C 1.809 178.043 176.300 -0.110 0.000 1.067 443 M CA 1.657 56.927 55.300 -0.050 0.000 1.124 443 M CB 0.112 32.724 32.600 0.021 0.000 1.353 443 M HN -0.029 nan 8.290 nan 0.000 0.410 444 V N 0.997 120.744 119.914 -0.278 0.000 2.427 444 V HA -0.261 3.867 4.120 0.012 0.000 0.248 444 V C 2.250 178.233 176.094 -0.186 0.000 1.051 444 V CA 1.877 63.871 62.300 -0.511 0.000 1.048 444 V CB -0.895 30.572 31.823 -0.594 0.000 0.666 444 V HN 0.589 nan 8.190 nan 0.000 0.456 445 Q N -0.578 119.155 119.800 -0.111 0.000 2.226 445 Q HA -0.198 4.150 4.340 0.012 0.000 0.204 445 Q C 2.422 178.341 176.000 -0.136 0.000 0.975 445 Q CA 1.322 57.069 55.803 -0.094 0.000 0.866 445 Q CB -0.142 28.563 28.738 -0.056 0.000 0.915 445 Q HN 0.536 nan 8.270 nan 0.000 0.440 446 R N 0.248 120.661 120.500 -0.144 0.000 2.112 446 R HA -0.067 4.280 4.340 0.012 0.000 0.216 446 R C 0.387 176.614 176.300 -0.122 0.000 1.080 446 R CA 1.076 57.066 56.100 -0.183 0.000 0.996 446 R CB 0.520 30.713 30.300 -0.178 0.000 0.902 446 R HN 0.113 nan 8.270 nan 0.000 0.449 447 D N -0.265 120.128 120.400 -0.011 0.000 2.433 447 D HA 0.009 4.656 4.640 0.012 0.000 0.211 447 D C 1.178 177.598 176.300 0.202 0.000 1.114 447 D CA 0.052 54.097 54.000 0.076 0.000 0.837 447 D CB 0.366 41.164 40.800 -0.002 0.000 0.984 447 D HN 0.336 nan 8.370 nan 0.000 0.505 448 R N 0.495 121.112 120.500 0.194 0.000 2.241 448 R HA 0.022 4.369 4.340 0.012 0.000 0.224 448 R C 0.642 176.945 176.300 0.006 0.000 1.101 448 R CA 0.883 57.109 56.100 0.210 0.000 0.995 448 R CB -0.210 30.142 30.300 0.087 0.000 0.870 448 R HN -0.100 nan 8.270 nan 0.000 0.463 449 N N 0.246 118.876 118.700 -0.117 0.000 2.280 449 N HA 0.011 4.758 4.740 0.012 0.000 0.192 449 N C -0.593 174.800 175.510 -0.194 0.000 1.109 449 N CA 0.177 53.128 53.050 -0.164 0.000 0.855 449 N CB 0.159 38.516 38.487 -0.218 0.000 0.974 449 N HN 0.271 nan 8.380 nan 0.000 0.482 450 H N 1.421 120.430 119.070 -0.103 0.000 2.668 450 H HA 0.123 4.687 4.556 0.012 0.000 0.303 450 H C -1.203 173.979 175.328 -0.244 0.000 1.074 450 H CA -1.332 54.642 56.048 -0.124 0.000 1.406 450 H CB 1.625 31.347 29.762 -0.066 0.000 1.442 450 H HN 0.041 nan 8.280 nan 0.000 0.482 451 P HA -0.150 nan 4.420 nan 0.000 0.220 451 P C 1.393 178.225 177.300 -0.781 0.000 1.148 451 P CA 1.041 63.788 63.100 -0.589 0.000 0.803 451 P CB 0.317 31.428 31.700 -0.982 0.000 0.782 452 S N -0.658 114.702 115.700 -0.567 0.000 2.399 452 S HA -0.049 4.428 4.470 0.012 0.000 0.231 452 S C 1.155 175.724 174.600 -0.052 0.000 1.022 452 S CA 0.402 58.439 58.200 -0.271 0.000 0.983 452 S CB -1.534 61.654 63.200 -0.021 0.000 0.803 452 S HN -0.057 nan 8.310 nan 0.000 0.480 453 V N 3.682 123.539 119.914 -0.095 0.000 2.446 453 V HA 0.203 4.330 4.120 0.012 0.000 0.276 453 V C 1.130 177.089 176.094 -0.226 0.000 1.030 453 V CA 0.126 62.336 62.300 -0.149 0.000 1.033 453 V CB 0.342 31.983 31.823 -0.304 0.000 0.993 453 V HN 0.636 nan 8.190 nan 0.000 0.477 454 I N 2.716 123.206 120.570 -0.134 0.000 4.187 454 I HA 0.503 4.680 4.170 0.012 0.000 0.326 454 I C 0.386 176.389 176.117 -0.189 0.000 1.302 454 I CA 0.481 61.713 61.300 -0.114 0.000 1.196 454 I CB 0.522 38.537 38.000 0.026 0.000 1.095 454 I HN 0.318 nan 8.210 nan 0.000 0.411 455 I N 0.223 120.658 120.570 -0.224 0.000 2.656 455 I HA 0.367 4.544 4.170 0.012 0.000 0.292 455 I C -1.513 174.490 176.117 -0.190 0.000 1.144 455 I CA -0.379 60.826 61.300 -0.159 0.000 1.038 455 I CB 2.109 40.111 38.000 0.004 0.000 1.244 455 I HN 0.027 nan 8.210 nan 0.000 0.420 456 W N 3.915 125.265 121.300 0.082 0.000 2.449 456 W HA 0.633 5.299 4.660 0.011 0.000 0.331 456 W C 0.395 176.980 176.519 0.110 0.000 1.119 456 W CA -0.556 56.844 57.345 0.092 0.000 1.240 456 W CB 1.709 31.219 29.460 0.084 0.000 1.251 456 W HN 0.327 nan 8.180 nan 0.000 0.576 457 S N 2.509 118.445 115.700 0.393 0.000 2.526 457 S HA 0.405 4.882 4.470 0.012 0.000 0.293 457 S C 0.082 174.855 174.600 0.288 0.000 1.092 457 S CA -0.725 57.653 58.200 0.297 0.000 0.980 457 S CB 0.893 64.219 63.200 0.210 0.000 1.048 457 S HN 0.570 nan 8.310 nan 0.000 0.483 458 L N 3.945 125.337 121.223 0.281 0.000 2.650 458 L HA 0.351 4.698 4.340 0.012 0.000 0.235 458 L C 1.393 178.341 176.870 0.131 0.000 1.149 458 L CA 0.521 55.448 54.840 0.144 0.000 0.887 458 L CB -1.224 40.813 42.059 -0.037 0.000 1.021 458 L HN 1.025 nan 8.230 nan 0.000 0.441 459 G N 0.145 109.101 108.800 0.260 0.000 2.306 459 G HA2 -0.149 3.819 3.960 0.012 0.000 0.262 459 G HA3 -0.149 3.819 3.960 0.012 0.000 0.262 459 G C -1.518 173.585 174.900 0.339 0.000 1.263 459 G CA -0.488 44.767 45.100 0.258 0.000 1.088 459 G HN 0.220 nan 8.290 nan 0.000 0.489 460 N N -0.065 118.776 118.700 0.236 0.000 2.405 460 N HA 0.477 5.225 4.740 0.012 0.000 0.274 460 N C -0.431 175.041 175.510 -0.063 0.000 1.170 460 N CA 0.183 53.241 53.050 0.012 0.000 0.848 460 N CB 1.528 39.779 38.487 -0.393 0.000 1.629 460 N HN 0.958 nan 8.380 nan 0.000 0.481 461 E N 0.503 120.567 120.200 -0.227 0.000 2.160 461 E HA -0.174 4.183 4.350 0.012 0.000 0.180 461 E C -0.860 175.651 176.600 -0.148 0.000 1.452 461 E CA 0.811 56.988 56.400 -0.372 0.000 0.683 461 E CB -1.347 27.877 29.700 -0.794 0.000 1.072 461 E HN 0.435 nan 8.360 nan 0.000 0.332 462 S N 0.018 115.775 115.700 0.095 0.000 2.941 462 S HA 0.408 4.886 4.470 0.012 0.000 0.251 462 S C 0.621 175.389 174.600 0.281 0.000 1.029 462 S CA -0.174 58.147 58.200 0.202 0.000 1.062 462 S CB 1.385 64.766 63.200 0.302 0.000 0.977 462 S HN 0.847 nan 8.310 nan 0.000 0.552 463 G N 2.001 110.895 108.800 0.158 0.000 2.601 463 G HA2 -0.266 3.702 3.960 0.012 0.000 0.261 463 G HA3 -0.266 3.702 3.960 0.012 0.000 0.261 463 G C -0.496 174.607 174.900 0.339 0.000 1.289 463 G CA -0.058 45.143 45.100 0.168 0.000 0.920 463 G HN 0.675 nan 8.290 nan 0.000 0.571 464 H N 0.238 119.427 119.070 0.198 0.000 2.906 464 H HA 0.569 5.133 4.556 0.012 0.000 0.324 464 H C 0.298 175.792 175.328 0.276 0.000 0.973 464 H CA -0.190 56.014 56.048 0.260 0.000 1.321 464 H CB 0.658 30.507 29.762 0.145 0.000 1.535 464 H HN 1.040 nan 8.280 nan 0.000 0.518 465 G N 1.587 110.575 108.800 0.312 0.000 2.537 465 G HA2 0.448 4.416 3.960 0.012 0.000 0.308 465 G HA3 0.448 4.416 3.960 0.012 0.000 0.308 465 G C 0.660 175.503 174.900 -0.094 0.000 1.237 465 G CA -0.176 44.911 45.100 -0.021 0.000 0.968 465 G HN 0.701 nan 8.290 nan 0.000 0.481 466 A N 0.721 123.474 122.820 -0.113 0.000 2.032 466 A HA -0.137 4.190 4.320 0.012 0.000 0.221 466 A C 2.158 179.734 177.584 -0.015 0.000 1.165 466 A CA 1.986 53.988 52.037 -0.057 0.000 0.645 466 A CB -0.426 18.551 19.000 -0.038 0.000 0.807 466 A HN 0.552 nan 8.150 nan 0.000 0.453 467 N N -0.386 118.271 118.700 -0.071 0.000 2.223 467 N HA -0.145 4.603 4.740 0.012 0.000 0.185 467 N C 1.391 176.855 175.510 -0.077 0.000 1.016 467 N CA 1.719 54.710 53.050 -0.099 0.000 0.863 467 N CB -0.666 37.717 38.487 -0.174 0.000 0.983 467 N HN 0.798 nan 8.380 nan 0.000 0.429 468 H N 0.124 119.198 119.070 0.007 0.000 2.389 468 H HA -0.003 4.560 4.556 0.012 0.000 0.299 468 H C 1.205 176.613 175.328 0.133 0.000 1.081 468 H CA 1.087 57.142 56.048 0.013 0.000 1.345 468 H CB 0.214 29.994 29.762 0.030 0.000 1.393 468 H HN 0.171 nan 8.280 nan 0.000 0.520 469 D N 0.337 120.910 120.400 0.288 0.000 2.117 469 D HA -0.108 4.539 4.640 0.012 0.000 0.198 469 D C 2.294 178.747 176.300 0.255 0.000 0.982 469 D CA 1.135 55.294 54.000 0.265 0.000 0.828 469 D CB -0.339 40.578 40.800 0.196 0.000 0.967 469 D HN 0.415 nan 8.370 nan 0.000 0.464 470 A N 0.711 123.632 122.820 0.168 0.000 1.902 470 A HA -0.110 4.217 4.320 0.012 0.000 0.217 470 A C 2.394 180.088 177.584 0.183 0.000 1.181 470 A CA 0.914 53.040 52.037 0.147 0.000 0.623 470 A CB -0.702 18.344 19.000 0.076 0.000 0.818 470 A HN 0.197 nan 8.150 nan 0.000 0.443 471 L N -2.198 119.119 121.223 0.157 0.000 2.156 471 L HA -0.121 4.227 4.340 0.012 0.000 0.208 471 L C 2.534 179.548 176.870 0.241 0.000 1.095 471 L CA 1.354 56.287 54.840 0.154 0.000 0.770 471 L CB -0.654 41.426 42.059 0.035 0.000 0.914 471 L HN 0.595 nan 8.230 nan 0.000 0.439 472 Y N 1.415 121.802 120.300 0.145 0.000 2.081 472 Y HA -0.368 4.187 4.550 0.010 0.000 0.280 472 Y C 2.827 178.812 175.900 0.142 0.000 1.163 472 Y CA 2.023 60.210 58.100 0.145 0.000 1.135 472 Y CB -0.189 38.356 38.460 0.142 0.000 0.970 472 Y HN -0.018 nan 8.280 nan 0.000 0.498 473 R N -0.263 120.340 120.500 0.172 0.000 2.092 473 R HA -0.202 4.146 4.340 0.012 0.000 0.231 473 R C 2.085 178.400 176.300 0.024 0.000 1.119 473 R CA 1.931 58.068 56.100 0.061 0.000 0.970 473 R CB -1.432 28.983 30.300 0.190 0.000 0.864 473 R HN 0.651 nan 8.270 nan 0.000 0.440 474 W N 0.482 121.743 121.300 -0.066 0.000 2.335 474 W HA -0.137 4.531 4.660 0.013 0.000 0.311 474 W C 1.581 178.009 176.519 -0.151 0.000 1.213 474 W CA 1.962 59.252 57.345 -0.091 0.000 1.274 474 W CB -0.189 29.223 29.460 -0.080 0.000 1.148 474 W HN 0.087 nan 8.180 nan 0.000 0.498 475 I N 0.862 121.438 120.570 0.011 0.000 2.252 475 I HA -0.329 3.848 4.170 0.012 0.000 0.245 475 I C 2.387 178.298 176.117 -0.343 0.000 1.102 475 I CA 1.331 62.471 61.300 -0.265 0.000 1.385 475 I CB -0.724 37.188 38.000 -0.148 0.000 1.064 475 I HN -0.105 nan 8.210 nan 0.000 0.414 476 K N 0.733 120.943 120.400 -0.316 0.000 2.152 476 K HA -0.100 4.227 4.320 0.012 0.000 0.206 476 K C 2.219 178.680 176.600 -0.233 0.000 1.048 476 K CA 1.348 57.469 56.287 -0.276 0.000 0.933 476 K CB -0.344 31.952 32.500 -0.340 0.000 0.721 476 K HN 0.303 nan 8.250 nan 0.000 0.447 477 S N 1.114 116.642 115.700 -0.287 0.000 2.362 477 S HA -0.091 4.386 4.470 0.012 0.000 0.221 477 S C 2.268 176.657 174.600 -0.353 0.000 1.032 477 S CA 1.257 59.292 58.200 -0.274 0.000 0.973 477 S CB -0.416 62.622 63.200 -0.271 0.000 0.849 477 S HN 0.299 nan 8.310 nan 0.000 0.465 478 V N 0.384 119.936 119.914 -0.604 0.000 2.515 478 V HA 0.048 4.176 4.120 0.012 0.000 0.250 478 V C 0.375 176.233 176.094 -0.395 0.000 1.058 478 V CA 1.763 63.694 62.300 -0.615 0.000 1.064 478 V CB -0.409 30.794 31.823 -1.034 0.000 0.675 478 V HN 0.340 nan 8.190 nan 0.000 0.461 479 D N 0.312 120.525 120.400 -0.311 0.000 2.364 479 D HA 0.385 5.033 4.640 0.012 0.000 0.251 479 D C -2.316 173.961 176.300 -0.039 0.000 1.282 479 D CA -1.904 52.020 54.000 -0.127 0.000 0.927 479 D CB 1.601 42.404 40.800 0.005 0.000 1.267 479 D HN 0.200 nan 8.370 nan 0.000 0.531 480 P HA -0.000 nan 4.420 nan 0.000 0.242 480 P C 1.016 178.332 177.300 0.027 0.000 1.197 480 P CA 0.394 63.483 63.100 -0.018 0.000 0.765 480 P CB 0.093 31.777 31.700 -0.026 0.000 0.936 481 S N -1.513 114.214 115.700 0.044 0.000 2.562 481 S HA 0.111 4.589 4.470 0.012 0.000 0.221 481 S C 0.834 175.465 174.600 0.051 0.000 0.975 481 S CA -0.152 58.080 58.200 0.053 0.000 0.918 481 S CB -0.289 62.937 63.200 0.043 0.000 0.772 481 S HN 0.054 nan 8.310 nan 0.000 0.531 482 R N 1.050 121.594 120.500 0.073 0.000 2.621 482 R HA 0.545 4.892 4.340 0.012 0.000 0.284 482 R C -3.215 173.139 176.300 0.089 0.000 0.998 482 R CA -2.163 53.950 56.100 0.022 0.000 0.895 482 R CB 1.548 31.757 30.300 -0.153 0.000 1.195 482 R HN 0.131 nan 8.270 nan 0.000 0.450 483 P HA 0.096 nan 4.420 nan 0.000 0.272 483 P C -0.858 176.546 177.300 0.173 0.000 1.240 483 P CA -0.403 62.761 63.100 0.106 0.000 0.791 483 P CB 0.666 32.415 31.700 0.082 0.000 0.978 484 V N 1.883 121.925 119.914 0.213 0.000 2.495 484 V HA 0.401 4.529 4.120 0.012 0.000 0.298 484 V C 0.199 176.474 176.094 0.302 0.000 1.031 484 V CA -0.329 62.145 62.300 0.290 0.000 0.871 484 V CB 1.126 33.097 31.823 0.246 0.000 0.988 484 V HN 0.604 nan 8.190 nan 0.000 0.432 485 Q N 3.650 123.607 119.800 0.262 0.000 2.458 485 Q HA 0.830 5.177 4.340 0.012 0.000 0.282 485 Q C -1.781 174.372 176.000 0.255 0.000 1.106 485 Q CA -0.970 54.951 55.803 0.197 0.000 0.814 485 Q CB 3.000 31.801 28.738 0.106 0.000 1.425 485 Q HN 0.629 nan 8.270 nan 0.000 0.437 486 Y N 0.003 120.306 120.300 0.006 0.000 2.294 486 Y HA 0.106 4.663 4.550 0.011 0.000 0.316 486 Y C -0.679 175.152 175.900 -0.115 0.000 1.265 486 Y CA -0.692 57.377 58.100 -0.052 0.000 1.149 486 Y CB 1.759 40.175 38.460 -0.074 0.000 1.293 486 Y HN 0.956 nan 8.280 nan 0.000 0.416 487 E N 3.425 123.115 120.200 -0.851 0.000 2.318 487 E HA 0.142 4.500 4.350 0.012 0.000 0.193 487 E C 0.700 176.864 176.600 -0.727 0.000 0.998 487 E CA 0.792 56.820 56.400 -0.619 0.000 0.859 487 E CB 0.288 29.744 29.700 -0.406 0.000 0.812 487 E HN 0.875 nan 8.360 nan 0.000 0.492 488 G N -0.130 107.855 108.800 -1.357 0.000 2.559 488 G HA2 0.244 4.211 3.960 0.012 0.000 0.235 488 G HA3 0.244 4.211 3.960 0.012 0.000 0.235 488 G C 0.785 175.535 174.900 -0.251 0.000 1.266 488 G CA 0.289 44.989 45.100 -0.667 0.000 0.847 488 G HN 0.352 nan 8.290 nan 0.000 0.583 489 G N -0.669 108.091 108.800 -0.067 0.000 2.160 489 G HA2 0.235 4.203 3.960 0.012 0.000 0.251 489 G HA3 0.235 4.203 3.960 0.012 0.000 0.251 489 G C 1.262 176.179 174.900 0.028 0.000 1.008 489 G CA 0.990 46.120 45.100 0.050 0.000 0.724 489 G HN 2.621 nan 8.290 nan 0.000 0.514 490 G N -1.544 107.261 108.800 0.008 0.000 2.192 490 G HA2 0.422 4.389 3.960 0.012 0.000 0.193 490 G HA3 0.422 4.389 3.960 0.012 0.000 0.193 490 G C 1.083 176.111 174.900 0.212 0.000 0.999 490 G CA 1.279 46.447 45.100 0.114 0.000 0.659 490 G HN 2.354 nan 8.290 nan 0.000 0.503 491 A N -0.254 122.570 122.820 0.007 0.000 3.413 491 A HA -0.118 4.209 4.320 0.012 0.000 0.268 491 A C 1.107 178.634 177.584 -0.095 0.000 1.128 491 A CA 2.645 54.626 52.037 -0.094 0.000 1.062 491 A CB -1.751 17.173 19.000 -0.126 0.000 1.121 491 A HN 2.127 nan 8.150 nan 0.000 0.895 492 D N -1.056 119.372 120.400 0.046 0.000 2.785 492 D HA 0.298 4.946 4.640 0.012 0.000 0.324 492 D C 0.391 176.698 176.300 0.012 0.000 1.523 492 D CA 0.821 54.852 54.000 0.051 0.000 0.789 492 D CB -1.175 39.802 40.800 0.295 0.000 1.171 492 D HN 0.817 nan 8.370 nan 0.000 0.447 493 T N -2.321 112.172 114.554 -0.101 0.000 2.689 493 T HA 0.207 4.565 4.350 0.012 0.000 0.308 493 T C 1.582 176.158 174.700 -0.207 0.000 1.021 493 T CA 0.491 62.472 62.100 -0.198 0.000 0.973 493 T CB 0.742 69.254 68.868 -0.593 0.000 1.113 493 T HN 0.075 nan 8.240 nan 0.000 0.522 494 T N -2.623 111.814 114.554 -0.195 0.000 3.160 494 T HA 0.250 4.607 4.350 0.012 0.000 0.257 494 T C 1.492 175.941 174.700 -0.419 0.000 1.147 494 T CA 0.218 62.204 62.100 -0.190 0.000 1.064 494 T CB -0.486 68.361 68.868 -0.036 0.000 0.949 494 T HN 0.822 nan 8.240 nan 0.000 0.526 495 A N 0.507 123.082 122.820 -0.409 0.000 2.415 495 A HA 0.512 4.839 4.320 0.012 0.000 0.248 495 A C 0.808 178.223 177.584 -0.282 0.000 1.299 495 A CA -0.301 51.480 52.037 -0.427 0.000 0.899 495 A CB 0.024 19.003 19.000 -0.036 0.000 0.997 495 A HN 0.427 nan 8.150 nan 0.000 0.506 496 T N -1.377 113.017 114.554 -0.267 0.000 2.971 496 T HA 0.353 4.710 4.350 0.012 0.000 0.304 496 T C -0.638 174.080 174.700 0.029 0.000 1.038 496 T CA -0.453 61.644 62.100 -0.004 0.000 1.007 496 T CB 1.198 70.055 68.868 -0.019 0.000 1.055 496 T HN 0.089 nan 8.240 nan 0.000 0.451 497 D N 2.971 123.475 120.400 0.173 0.000 2.347 497 D HA 0.253 4.900 4.640 0.012 0.000 0.213 497 D C 0.374 176.705 176.300 0.053 0.000 0.985 497 D CA 0.756 54.840 54.000 0.142 0.000 0.879 497 D CB 0.400 41.313 40.800 0.188 0.000 0.919 497 D HN 0.541 nan 8.370 nan 0.000 0.526 498 I N 0.857 121.439 120.570 0.020 0.000 2.582 498 I HA 0.244 4.422 4.170 0.012 0.000 0.292 498 I C -0.251 175.802 176.117 -0.107 0.000 1.066 498 I CA -0.907 60.371 61.300 -0.037 0.000 1.053 498 I CB 2.856 40.846 38.000 -0.016 0.000 1.241 498 I HN -0.355 nan 8.210 nan 0.000 0.421 499 I N 5.691 126.153 120.570 -0.181 0.000 2.505 499 I HA 0.037 4.215 4.170 0.012 0.000 0.287 499 I C 0.198 176.107 176.117 -0.347 0.000 1.104 499 I CA 0.065 61.161 61.300 -0.339 0.000 1.387 499 I CB 0.133 37.826 38.000 -0.512 0.000 1.404 499 I HN 0.667 nan 8.210 nan 0.000 0.528 500 C N 5.694 124.802 119.300 -0.319 0.000 3.401 500 C HA 0.474 4.941 4.460 0.012 0.000 0.204 500 C C -2.145 172.703 174.990 -0.237 0.000 1.522 500 C CA -2.292 56.590 59.018 -0.228 0.000 1.409 500 C CB -0.912 26.756 27.740 -0.120 0.000 1.967 500 C HN 0.416 nan 8.230 nan 0.000 0.496 501 P HA 0.309 nan 4.420 nan 0.000 0.273 501 P C -0.428 176.815 177.300 -0.095 0.000 1.250 501 P CA 0.286 63.271 63.100 -0.193 0.000 0.793 501 P CB 0.703 32.278 31.700 -0.209 0.000 1.011 502 M N -0.166 119.405 119.600 -0.049 0.000 2.181 502 M HA 0.452 4.940 4.480 0.012 0.000 0.323 502 M C -0.785 175.506 176.300 -0.015 0.000 1.004 502 M CA -0.662 54.505 55.300 -0.223 0.000 0.941 502 M CB 1.169 33.583 32.600 -0.310 0.000 1.579 502 M HN 0.346 nan 8.290 nan 0.000 0.427 503 Y N -0.252 120.211 120.300 0.272 0.000 4.490 503 Y HA -0.227 4.331 4.550 0.013 0.000 0.233 503 Y C 0.518 176.593 175.900 0.291 0.000 1.101 503 Y CA 0.370 58.637 58.100 0.277 0.000 2.010 503 Y CB -2.211 36.391 38.460 0.235 0.000 1.622 503 Y HN 0.977 nan 8.280 nan 0.000 0.675 504 A N 1.206 124.252 122.820 0.376 0.000 2.425 504 A HA 0.573 4.901 4.320 0.012 0.000 0.249 504 A C 0.709 178.525 177.584 0.387 0.000 1.084 504 A CA -0.446 51.816 52.037 0.375 0.000 0.781 504 A CB 0.399 19.663 19.000 0.440 0.000 1.019 504 A HN 0.415 nan 8.150 nan 0.000 0.490 505 R N 1.411 122.063 120.500 0.254 0.000 2.583 505 R HA 0.314 4.661 4.340 0.012 0.000 0.268 505 R C 1.022 177.296 176.300 -0.043 0.000 1.101 505 R CA -0.705 55.472 56.100 0.128 0.000 1.180 505 R CB 0.589 30.930 30.300 0.067 0.000 1.128 505 R HN 0.488 nan 8.270 nan 0.000 0.568 506 V N 0.744 120.464 119.914 -0.324 0.000 2.307 506 V HA -0.207 3.920 4.120 0.012 0.000 0.245 506 V C 0.924 176.900 176.094 -0.196 0.000 1.045 506 V CA 1.911 63.982 62.300 -0.382 0.000 1.024 506 V CB -0.259 31.203 31.823 -0.603 0.000 0.651 506 V HN 0.754 nan 8.190 nan 0.000 0.449 507 D N -1.650 118.669 120.400 -0.135 0.000 2.473 507 D HA 0.104 4.752 4.640 0.012 0.000 0.230 507 D C 0.879 177.162 176.300 -0.027 0.000 1.097 507 D CA 0.024 53.980 54.000 -0.074 0.000 0.861 507 D CB 0.704 41.466 40.800 -0.064 0.000 1.114 507 D HN 0.467 nan 8.370 nan 0.000 0.500 508 E N 1.991 122.180 120.200 -0.020 0.000 2.167 508 E HA 0.100 4.458 4.350 0.012 0.000 0.284 508 E C -0.803 175.798 176.600 0.002 0.000 1.016 508 E CA -0.560 55.837 56.400 -0.005 0.000 0.817 508 E CB 0.890 30.588 29.700 -0.003 0.000 1.080 508 E HN -0.171 nan 8.360 nan 0.000 0.397 509 D N 3.697 124.102 120.400 0.007 0.000 2.341 509 D HA 0.110 4.758 4.640 0.012 0.000 0.245 509 D C -0.553 175.643 176.300 -0.173 0.000 1.106 509 D CA 0.292 54.294 54.000 0.004 0.000 0.905 509 D CB 1.104 41.985 40.800 0.136 0.000 1.202 509 D HN 0.421 nan 8.370 nan 0.000 0.426 510 Q N 1.575 121.134 119.800 -0.403 0.000 2.771 510 Q HA 0.237 4.585 4.340 0.012 0.000 0.247 510 Q C -2.231 173.094 176.000 -1.126 0.000 0.986 510 Q CA -1.501 53.861 55.803 -0.735 0.000 0.713 510 Q CB 2.436 30.700 28.738 -0.790 0.000 1.241 510 Q HN 0.171 nan 8.270 nan 0.000 0.488 511 P HA -0.009 nan 4.420 nan 0.000 0.225 511 P C -0.567 176.401 177.300 -0.555 0.000 1.768 511 P CA -0.039 62.597 63.100 -0.774 0.000 0.943 511 P CB -0.593 30.879 31.700 -0.379 0.000 1.936 512 F N 1.480 121.249 119.950 -0.302 0.000 2.589 512 F HA 0.076 4.611 4.527 0.012 0.000 0.352 512 F C -1.202 174.483 175.800 -0.192 0.000 1.168 512 F CA -2.058 55.824 58.000 -0.198 0.000 1.353 512 F CB -0.695 38.203 39.000 -0.170 0.000 1.116 512 F HN 0.046 nan 8.300 nan 0.000 0.608 513 P HA 0.189 nan 4.420 nan 0.000 0.275 513 P C 0.148 177.461 177.300 0.022 0.000 1.227 513 P CA 0.991 64.106 63.100 0.024 0.000 0.781 513 P CB 1.362 33.075 31.700 0.022 0.000 0.906 514 A N 2.746 125.571 122.820 0.009 0.000 2.070 514 A HA -0.237 4.091 4.320 0.012 0.000 0.231 514 A C 0.716 178.307 177.584 0.012 0.000 0.501 514 A CA 1.908 53.956 52.037 0.018 0.000 1.119 514 A CB -2.696 16.315 19.000 0.019 0.000 1.430 514 A HN 0.691 nan 8.150 nan 0.000 0.706 515 V N -2.657 117.260 119.914 0.006 0.000 2.361 515 V HA 0.587 4.715 4.120 0.012 0.000 0.252 515 V C -2.376 173.702 176.094 -0.026 0.000 0.986 515 V CA -1.304 61.000 62.300 0.007 0.000 1.033 515 V CB 0.644 32.481 31.823 0.024 0.000 1.282 515 V HN 0.523 nan 8.190 nan 0.000 0.514 516 P HA 0.268 nan 4.420 nan 0.000 0.272 516 P C -0.606 176.211 177.300 -0.806 0.000 1.223 516 P CA 0.040 62.714 63.100 -0.710 0.000 0.784 516 P CB 1.098 31.888 31.700 -1.516 0.000 0.923 517 K N 2.354 122.324 120.400 -0.717 0.000 2.423 517 K HA 0.187 4.515 4.320 0.012 0.000 0.234 517 K C -0.363 175.933 176.600 -0.507 0.000 1.051 517 K CA -0.294 55.781 56.287 -0.353 0.000 1.021 517 K CB 0.263 32.826 32.500 0.106 0.000 1.474 517 K HN 0.475 nan 8.250 nan 0.000 0.474 518 W N 1.353 122.308 121.300 -0.575 0.000 2.112 518 W HA 0.005 4.674 4.660 0.014 0.000 0.349 518 W C 1.381 177.905 176.519 0.009 0.000 1.289 518 W CA -0.417 56.706 57.345 -0.370 0.000 1.256 518 W CB 0.371 29.451 29.460 -0.633 0.000 1.148 518 W HN 0.358 nan 8.180 nan 0.000 0.590 519 S N 3.153 119.015 115.700 0.270 0.000 2.558 519 S HA -0.083 4.394 4.470 0.012 0.000 0.291 519 S C 1.188 175.943 174.600 0.258 0.000 1.306 519 S CA -0.099 58.203 58.200 0.170 0.000 1.056 519 S CB 0.219 63.466 63.200 0.079 0.000 0.836 519 S HN 0.506 nan 8.310 nan 0.000 0.504 520 I N 1.947 122.629 120.570 0.187 0.000 2.286 520 I HA -0.125 4.053 4.170 0.012 0.000 0.248 520 I C 2.075 178.218 176.117 0.043 0.000 1.115 520 I CA 1.219 62.629 61.300 0.184 0.000 1.392 520 I CB -0.456 37.596 38.000 0.086 0.000 1.065 520 I HN 0.607 nan 8.210 nan 0.000 0.418 521 K N 1.437 121.757 120.400 -0.133 0.000 2.097 521 K HA -0.149 4.179 4.320 0.012 0.000 0.205 521 K C 2.310 178.891 176.600 -0.032 0.000 1.050 521 K CA 1.428 57.544 56.287 -0.285 0.000 0.938 521 K CB -0.198 32.048 32.500 -0.423 0.000 0.718 521 K HN 0.344 nan 8.250 nan 0.000 0.442 522 K N 0.266 120.677 120.400 0.018 0.000 2.103 522 K HA -0.166 4.161 4.320 0.012 0.000 0.204 522 K C 1.867 178.476 176.600 0.017 0.000 1.052 522 K CA 0.804 57.085 56.287 -0.009 0.000 0.945 522 K CB -0.046 32.416 32.500 -0.064 0.000 0.722 522 K HN 0.227 nan 8.250 nan 0.000 0.443 523 W N 2.152 123.425 121.300 -0.045 0.000 2.335 523 W HA -0.190 4.476 4.660 0.010 0.000 0.311 523 W C 1.730 178.227 176.519 -0.037 0.000 1.213 523 W CA 1.085 58.420 57.345 -0.017 0.000 1.274 523 W CB -0.734 28.804 29.460 0.129 0.000 1.148 523 W HN 0.052 nan 8.180 nan 0.000 0.498 524 L N 0.863 122.239 121.223 0.254 0.000 2.127 524 L HA -0.243 4.105 4.340 0.012 0.000 0.211 524 L C 2.152 179.087 176.870 0.108 0.000 1.089 524 L CA 1.958 56.883 54.840 0.142 0.000 0.757 524 L CB -0.905 41.225 42.059 0.118 0.000 0.899 524 L HN 0.004 nan 8.230 nan 0.000 0.434 525 S N -1.537 114.209 115.700 0.075 0.000 2.575 525 S HA 0.286 4.764 4.470 0.012 0.000 0.237 525 S C 0.483 175.069 174.600 -0.023 0.000 0.975 525 S CA -0.581 57.635 58.200 0.028 0.000 0.960 525 S CB -0.383 62.833 63.200 0.028 0.000 0.822 525 S HN 0.137 nan 8.310 nan 0.000 0.472 526 L N 1.957 123.155 121.223 -0.041 0.000 2.506 526 L HA 0.231 4.579 4.340 0.012 0.000 0.281 526 L C -2.230 174.608 176.870 -0.053 0.000 1.228 526 L CA -1.698 53.070 54.840 -0.119 0.000 0.850 526 L CB -0.399 41.564 42.059 -0.160 0.000 1.110 526 L HN 0.021 nan 8.230 nan 0.000 0.496 527 P HA -0.035 nan 4.420 nan 0.000 0.260 527 P C 0.766 178.060 177.300 -0.009 0.000 1.172 527 P CA 1.109 64.187 63.100 -0.036 0.000 0.760 527 P CB 0.494 32.168 31.700 -0.044 0.000 0.773 528 G N 1.840 110.641 108.800 0.001 0.000 2.205 528 G HA2 -0.281 3.687 3.960 0.012 0.000 0.261 528 G HA3 -0.281 3.687 3.960 0.012 0.000 0.261 528 G C 0.275 175.191 174.900 0.027 0.000 0.980 528 G CA 0.159 45.268 45.100 0.015 0.000 0.632 528 G HN 0.618 nan 8.290 nan 0.000 0.533 529 E N 1.041 121.262 120.200 0.035 0.000 2.338 529 E HA 0.593 4.951 4.350 0.012 0.000 0.272 529 E C 1.344 177.970 176.600 0.042 0.000 1.029 529 E CA 0.694 57.127 56.400 0.055 0.000 0.872 529 E CB 0.761 30.518 29.700 0.096 0.000 1.015 529 E HN 0.536 nan 8.360 nan 0.000 0.417 530 T N 0.621 115.196 114.554 0.036 0.000 3.130 530 T HA 0.323 4.680 4.350 0.012 0.000 0.288 530 T C 0.552 175.263 174.700 0.017 0.000 0.936 530 T CA -0.481 61.634 62.100 0.026 0.000 0.897 530 T CB 0.070 68.953 68.868 0.024 0.000 1.178 530 T HN 0.252 nan 8.240 nan 0.000 0.543 531 R N 2.436 122.943 120.500 0.011 0.000 2.679 531 R HA 0.426 4.774 4.340 0.012 0.000 0.269 531 R C -2.483 173.799 176.300 -0.030 0.000 1.076 531 R CA -1.739 54.356 56.100 -0.007 0.000 1.160 531 R CB 0.074 30.363 30.300 -0.019 0.000 1.054 531 R HN 0.236 nan 8.270 nan 0.000 0.507 532 P HA 0.071 nan 4.420 nan 0.000 0.274 532 P C -1.028 176.206 177.300 -0.112 0.000 1.246 532 P CA -0.095 62.966 63.100 -0.065 0.000 0.795 532 P CB 0.690 32.351 31.700 -0.064 0.000 1.006 533 L N 2.315 123.452 121.223 -0.144 0.000 2.349 533 L HA 0.584 4.932 4.340 0.012 0.000 0.278 533 L C -1.045 175.685 176.870 -0.234 0.000 0.996 533 L CA -0.678 54.037 54.840 -0.209 0.000 0.825 533 L CB 0.690 42.620 42.059 -0.214 0.000 1.243 533 L HN 0.230 nan 8.230 nan 0.000 0.412 534 I N 5.620 126.057 120.570 -0.222 0.000 2.500 534 I HA 0.252 4.429 4.170 0.012 0.000 0.286 534 I C -0.776 175.248 176.117 -0.155 0.000 1.063 534 I CA -0.559 60.593 61.300 -0.247 0.000 1.062 534 I CB 2.017 39.922 38.000 -0.159 0.000 1.223 534 I HN 0.478 nan 8.210 nan 0.000 0.435 535 L N 5.666 126.771 121.223 -0.197 0.000 2.513 535 L HA 0.003 4.351 4.340 0.012 0.000 0.272 535 L C 1.498 178.453 176.870 0.143 0.000 1.187 535 L CA -0.068 54.734 54.840 -0.063 0.000 0.895 535 L CB 0.482 42.501 42.059 -0.067 0.000 1.147 535 L HN 0.862 nan 8.230 nan 0.000 0.483 536 C N 0.851 120.212 119.300 0.102 0.000 2.448 536 C HA 0.099 4.567 4.460 0.012 0.000 0.280 536 C C 0.729 175.866 174.990 0.245 0.000 1.398 536 C CA -0.156 58.969 59.018 0.177 0.000 1.774 536 C CB -0.973 26.778 27.740 0.018 0.000 1.888 536 C HN 0.818 nan 8.230 nan 0.000 0.519 537 Q N -0.473 119.398 119.800 0.118 0.000 2.295 537 Q HA 0.608 4.955 4.340 0.012 0.000 0.268 537 Q C -1.451 174.528 176.000 -0.035 0.000 1.010 537 Q CA -0.328 55.539 55.803 0.107 0.000 0.856 537 Q CB 2.248 30.860 28.738 -0.209 0.000 1.349 537 Q HN 0.753 nan 8.270 nan 0.000 0.412 538 Y N -0.135 120.185 120.300 0.034 0.000 2.597 538 Y HA 0.832 5.390 4.550 0.014 0.000 0.340 538 Y C -0.634 175.417 175.900 0.251 0.000 1.097 538 Y CA -0.712 57.392 58.100 0.007 0.000 1.037 538 Y CB 1.170 39.463 38.460 -0.277 0.000 1.305 538 Y HN 0.953 nan 8.280 nan 0.000 0.463 539 A N 1.733 124.645 122.820 0.153 0.000 2.454 539 A HA 0.009 4.337 4.320 0.012 0.000 0.685 539 A C -1.324 176.504 177.584 0.407 0.000 0.152 539 A CA 0.550 52.687 52.037 0.166 0.000 0.038 539 A CB -1.381 17.622 19.000 0.004 0.000 3.970 539 A HN 1.687 nan 8.150 nan 0.000 0.548 540 H N 0.686 119.872 119.070 0.193 0.000 3.059 540 H HA 0.493 5.057 4.556 0.012 0.000 0.302 540 H C 0.173 175.546 175.328 0.074 0.000 1.264 540 H CA 0.319 56.523 56.048 0.260 0.000 1.615 540 H CB 0.603 30.387 29.762 0.037 0.000 1.795 540 H HN 1.640 nan 8.280 nan 0.000 0.556 541 A N 5.925 128.631 122.820 -0.190 0.000 2.810 541 A HA 0.100 4.427 4.320 0.012 0.000 0.247 541 A C 0.768 178.125 177.584 -0.379 0.000 1.576 541 A CA -0.255 51.621 52.037 -0.270 0.000 1.294 541 A CB -0.774 18.068 19.000 -0.264 0.000 0.976 541 A HN 0.687 nan 8.150 nan 0.000 0.631 542 M N 1.396 120.788 119.600 -0.346 0.000 2.105 542 M HA 0.469 4.956 4.480 0.012 0.000 0.350 542 M C 0.928 176.979 176.300 -0.415 0.000 1.308 542 M CA 1.083 56.170 55.300 -0.354 0.000 1.108 542 M CB -0.002 32.483 32.600 -0.192 0.000 1.622 542 M HN 0.824 nan 8.290 nan 0.000 0.468 543 G N 4.319 112.801 108.800 -0.530 0.000 2.564 543 G HA2 -0.343 3.624 3.960 0.012 0.000 0.273 543 G HA3 -0.343 3.624 3.960 0.012 0.000 0.273 543 G C -0.272 174.014 174.900 -1.023 0.000 1.242 543 G CA 0.046 44.695 45.100 -0.752 0.000 0.951 543 G HN 0.861 nan 8.290 nan 0.000 0.564 544 N N 1.063 119.074 118.700 -1.149 0.000 2.421 544 N HA 0.498 5.246 4.740 0.012 0.000 0.260 544 N C 0.062 175.285 175.510 -0.479 0.000 1.173 544 N CA 1.081 53.635 53.050 -0.827 0.000 0.960 544 N CB 0.561 38.601 38.487 -0.745 0.000 1.273 544 N HN 0.864 nan 8.380 nan 0.000 0.497 545 S N 2.315 117.806 115.700 -0.348 0.000 2.998 545 S HA 0.606 5.083 4.470 0.012 0.000 0.321 545 S C -0.155 174.350 174.600 -0.158 0.000 1.171 545 S CA -0.330 57.728 58.200 -0.236 0.000 0.882 545 S CB 0.053 63.120 63.200 -0.221 0.000 1.301 545 S HN 0.381 nan 8.310 nan 0.000 0.629 546 L N 0.073 121.243 121.223 -0.088 0.000 4.793 546 L HA -0.049 4.298 4.340 0.012 0.000 0.404 546 L C 0.524 177.428 176.870 0.056 0.000 1.022 546 L CA 0.967 55.788 54.840 -0.031 0.000 1.242 546 L CB -1.767 40.189 42.059 -0.173 0.000 2.049 546 L HN 0.756 nan 8.230 nan 0.000 0.637 547 G N -0.852 107.947 108.800 -0.002 0.000 2.398 547 G HA2 0.472 4.439 3.960 0.012 0.000 0.246 547 G HA3 0.472 4.439 3.960 0.012 0.000 0.246 547 G C 1.243 176.183 174.900 0.067 0.000 1.289 547 G CA 0.159 45.241 45.100 -0.029 0.000 0.869 547 G HN 1.424 nan 8.290 nan 0.000 0.543 548 G N 1.419 110.248 108.800 0.048 0.000 2.176 548 G HA2 -0.317 3.650 3.960 0.012 0.000 0.253 548 G HA3 -0.317 3.650 3.960 0.012 0.000 0.253 548 G C 1.027 176.106 174.900 0.300 0.000 0.979 548 G CA 0.793 45.980 45.100 0.144 0.000 0.641 548 G HN 0.809 nan 8.290 nan 0.000 0.530 549 F N 1.900 121.965 119.950 0.192 0.000 2.161 549 F HA 0.150 4.685 4.527 0.013 0.000 0.300 549 F C 2.657 178.670 175.800 0.354 0.000 1.089 549 F CA 2.455 60.649 58.000 0.323 0.000 1.282 549 F CB -0.398 38.737 39.000 0.225 0.000 1.010 549 F HN 0.344 nan 8.300 nan 0.000 0.485 550 A N -0.294 122.695 122.820 0.281 0.000 2.019 550 A HA -0.236 4.092 4.320 0.012 0.000 0.219 550 A C 2.278 179.884 177.584 0.037 0.000 1.164 550 A CA 1.709 53.842 52.037 0.161 0.000 0.644 550 A CB -0.808 18.289 19.000 0.162 0.000 0.805 550 A HN 0.457 nan 8.150 nan 0.000 0.449 551 K N -1.523 118.880 120.400 0.004 0.000 2.097 551 K HA -0.191 4.136 4.320 0.012 0.000 0.206 551 K C 1.691 178.066 176.600 -0.375 0.000 1.049 551 K CA 1.729 57.932 56.287 -0.141 0.000 0.933 551 K CB -0.328 32.093 32.500 -0.132 0.000 0.717 551 K HN 0.586 nan 8.250 nan 0.000 0.442 552 Y N -0.933 119.095 120.300 -0.455 0.000 2.145 552 Y HA -0.235 4.322 4.550 0.012 0.000 0.286 552 Y C 1.978 176.930 175.900 -1.581 0.000 1.145 552 Y CA 1.541 59.007 58.100 -1.057 0.000 1.148 552 Y CB -0.288 37.491 38.460 -1.135 0.000 0.981 552 Y HN 0.179 nan 8.280 nan 0.000 0.507 553 W N 0.003 120.885 121.300 -0.697 0.000 2.363 553 W HA -0.198 4.470 4.660 0.014 0.000 0.296 553 W C 2.615 178.965 176.519 -0.282 0.000 1.212 553 W CA 1.452 58.519 57.345 -0.462 0.000 1.260 553 W CB -0.470 28.807 29.460 -0.305 0.000 1.131 553 W HN 0.053 nan 8.180 nan 0.000 0.530 554 Q N 0.792 120.513 119.800 -0.131 0.000 2.119 554 Q HA -0.157 4.191 4.340 0.012 0.000 0.201 554 Q C 2.159 178.105 176.000 -0.091 0.000 0.972 554 Q CA 2.001 57.764 55.803 -0.066 0.000 0.847 554 Q CB -0.530 28.179 28.738 -0.048 0.000 0.903 554 Q HN 0.274 nan 8.270 nan 0.000 0.433 555 A N -0.047 122.627 122.820 -0.243 0.000 1.872 555 A HA -0.083 4.244 4.320 0.012 0.000 0.214 555 A C 2.052 179.611 177.584 -0.042 0.000 1.187 555 A CA 0.964 52.887 52.037 -0.190 0.000 0.614 555 A CB -1.049 17.704 19.000 -0.411 0.000 0.826 555 A HN 0.462 nan 8.150 nan 0.000 0.442 556 F N -0.244 119.531 119.950 -0.291 0.000 2.161 556 F HA -0.229 4.305 4.527 0.012 0.000 0.300 556 F C 2.758 178.465 175.800 -0.156 0.000 1.089 556 F CA 1.160 58.962 58.000 -0.330 0.000 1.282 556 F CB -0.166 38.414 39.000 -0.699 0.000 1.010 556 F HN 0.165 nan 8.300 nan 0.000 0.485 557 R N 0.039 120.591 120.500 0.086 0.000 2.090 557 R HA -0.173 4.174 4.340 0.012 0.000 0.228 557 R C 2.120 178.454 176.300 0.056 0.000 1.110 557 R CA 1.262 57.399 56.100 0.062 0.000 0.973 557 R CB -0.435 29.898 30.300 0.054 0.000 0.869 557 R HN 0.364 nan 8.270 nan 0.000 0.440 558 Q N -0.299 119.560 119.800 0.100 0.000 2.187 558 Q HA -0.067 4.280 4.340 0.012 0.000 0.199 558 Q C -0.468 175.561 176.000 0.048 0.000 0.957 558 Q CA 0.960 56.814 55.803 0.085 0.000 0.857 558 Q CB 0.365 29.186 28.738 0.138 0.000 0.929 558 Q HN 0.197 nan 8.270 nan 0.000 0.453 559 Y N -0.030 120.252 120.300 -0.031 0.000 2.342 559 Y HA 0.273 4.830 4.550 0.011 0.000 0.338 559 Y C -1.805 174.069 175.900 -0.043 0.000 0.965 559 Y CA -2.847 55.234 58.100 -0.031 0.000 1.159 559 Y CB 1.538 39.984 38.460 -0.023 0.000 1.157 559 Y HN 0.100 nan 8.280 nan 0.000 0.486 560 P HA -0.138 nan 4.420 nan 0.000 0.215 560 P C 1.106 178.407 177.300 0.002 0.000 1.153 560 P CA 1.767 64.865 63.100 -0.002 0.000 0.853 560 P CB 0.325 32.008 31.700 -0.028 0.000 0.788 561 R N -1.144 119.378 120.500 0.036 0.000 2.307 561 R HA 0.091 4.439 4.340 0.012 0.000 0.199 561 R C 0.486 176.770 176.300 -0.026 0.000 1.000 561 R CA 0.154 56.257 56.100 0.006 0.000 1.023 561 R CB -0.496 29.817 30.300 0.021 0.000 0.908 561 R HN 0.239 nan 8.270 nan 0.000 0.473 562 L N 2.041 123.271 121.223 0.011 0.000 2.312 562 L HA 0.116 4.464 4.340 0.012 0.000 0.287 562 L C 0.519 177.253 176.870 -0.227 0.000 1.091 562 L CA 0.189 54.986 54.840 -0.072 0.000 0.846 562 L CB 1.040 43.130 42.059 0.051 0.000 1.219 562 L HN 0.093 nan 8.230 nan 0.000 0.439 563 Q N 2.898 122.482 119.800 -0.360 0.000 2.201 563 Q HA 0.337 4.684 4.340 0.012 0.000 0.236 563 Q C 0.770 176.338 176.000 -0.720 0.000 0.857 563 Q CA 0.035 55.583 55.803 -0.425 0.000 1.025 563 Q CB 1.099 29.682 28.738 -0.259 0.000 1.124 563 Q HN 0.941 nan 8.270 nan 0.000 0.473 564 G N -0.365 107.612 108.800 -1.372 0.000 2.384 564 G HA2 0.152 4.120 3.960 0.012 0.000 0.204 564 G HA3 0.152 4.120 3.960 0.012 0.000 0.204 564 G C -0.398 173.646 174.900 -1.427 0.000 1.237 564 G CA -0.732 43.225 45.100 -1.904 0.000 1.060 564 G HN 0.553 nan 8.290 nan 0.000 0.514 565 G N -2.190 106.051 108.800 -0.932 0.000 2.349 565 G HA2 0.645 4.613 3.960 0.012 0.000 0.294 565 G HA3 0.645 4.613 3.960 0.012 0.000 0.294 565 G C -1.851 172.965 174.900 -0.139 0.000 1.380 565 G CA -0.364 44.427 45.100 -0.514 0.000 0.811 565 G HN 1.127 nan 8.290 nan 0.000 0.519 566 F N 0.736 120.940 119.950 0.422 0.000 2.427 566 F HA 0.502 5.036 4.527 0.011 0.000 0.348 566 F C 0.800 176.892 175.800 0.486 0.000 1.125 566 F CA -0.764 57.503 58.000 0.445 0.000 0.989 566 F CB 2.113 41.269 39.000 0.260 0.000 1.165 566 F HN 0.259 nan 8.300 nan 0.000 0.442 567 V N 3.327 123.553 119.914 0.519 0.000 2.901 567 V HA -0.166 3.962 4.120 0.012 0.000 0.307 567 V C -0.200 176.036 176.094 0.237 0.000 1.084 567 V CA -0.196 62.193 62.300 0.148 0.000 1.184 567 V CB 0.646 32.580 31.823 0.185 0.000 0.941 567 V HN 0.766 nan 8.190 nan 0.000 0.493 568 W N 6.418 127.781 121.300 0.105 0.000 2.296 568 W HA 0.463 5.131 4.660 0.012 0.000 0.316 568 W C -0.905 175.631 176.519 0.028 0.000 1.022 568 W CA -0.660 56.790 57.345 0.175 0.000 1.324 568 W CB 1.337 31.050 29.460 0.421 0.000 1.227 568 W HN 0.923 nan 8.180 nan 0.000 0.409 569 D N 2.745 122.807 120.400 -0.564 0.000 2.812 569 D HA 0.100 4.748 4.640 0.012 0.000 0.318 569 D C 0.660 176.772 176.300 -0.314 0.000 1.234 569 D CA -0.566 53.024 54.000 -0.683 0.000 0.989 569 D CB 0.209 40.118 40.800 -1.486 0.000 1.442 569 D HN 0.416 nan 8.370 nan 0.000 0.537 570 W N 0.437 121.474 121.300 -0.438 0.000 2.413 570 W HA 0.138 4.806 4.660 0.013 0.000 0.315 570 W C -0.159 176.217 176.519 -0.238 0.000 1.186 570 W CA 1.063 58.214 57.345 -0.324 0.000 1.326 570 W CB 0.344 29.625 29.460 -0.298 0.000 1.153 570 W HN 0.152 nan 8.180 nan 0.000 0.489 571 V N 2.764 122.518 119.914 -0.267 0.000 2.656 571 V HA 0.243 4.370 4.120 0.012 0.000 0.307 571 V C -0.855 175.109 176.094 -0.217 0.000 1.051 571 V CA -0.788 61.311 62.300 -0.336 0.000 0.893 571 V CB 1.484 33.200 31.823 -0.178 0.000 0.999 571 V HN -0.106 nan 8.190 nan 0.000 0.426 572 D N 4.037 124.322 120.400 -0.192 0.000 2.488 572 D HA 0.111 4.758 4.640 0.012 0.000 0.238 572 D C 0.245 176.413 176.300 -0.219 0.000 1.138 572 D CA 0.658 54.567 54.000 -0.153 0.000 0.873 572 D CB 0.852 41.637 40.800 -0.025 0.000 1.183 572 D HN 0.621 nan 8.370 nan 0.000 0.458 573 Q N 1.082 120.675 119.800 -0.345 0.000 3.207 573 Q HA 0.159 4.506 4.340 0.012 0.000 0.335 573 Q C -0.192 175.760 176.000 -0.080 0.000 1.374 573 Q CA -0.387 54.970 55.803 -0.744 0.000 1.023 573 Q CB 0.137 28.551 28.738 -0.540 0.000 1.576 573 Q HN 0.357 nan 8.270 nan 0.000 0.515 574 S N -0.082 115.683 115.700 0.108 0.000 2.616 574 S HA 0.626 5.103 4.470 0.012 0.000 0.277 574 S C -0.106 174.682 174.600 0.313 0.000 1.234 574 S CA -0.773 57.606 58.200 0.297 0.000 1.028 574 S CB 1.454 64.808 63.200 0.257 0.000 0.988 574 S HN 0.347 nan 8.310 nan 0.000 0.522 575 L N 1.752 123.083 121.223 0.180 0.000 2.342 575 L HA 0.524 4.871 4.340 0.012 0.000 0.271 575 L C -0.395 176.403 176.870 -0.121 0.000 1.008 575 L CA -1.197 53.627 54.840 -0.027 0.000 0.818 575 L CB 1.467 43.400 42.059 -0.209 0.000 1.296 575 L HN 0.557 nan 8.230 nan 0.000 0.427 576 I N 2.316 122.759 120.570 -0.211 0.000 2.474 576 I HA 0.252 4.429 4.170 0.012 0.000 0.287 576 I C 0.139 175.889 176.117 -0.612 0.000 1.048 576 I CA -0.056 60.989 61.300 -0.425 0.000 1.383 576 I CB 1.066 38.815 38.000 -0.418 0.000 1.412 576 I HN 0.576 nan 8.210 nan 0.000 0.531 577 K N 5.270 125.027 120.400 -1.071 0.000 2.350 577 K HA 0.551 4.878 4.320 0.012 0.000 0.241 577 K C -1.547 174.249 176.600 -1.339 0.000 0.994 577 K CA -0.711 54.854 56.287 -1.203 0.000 0.839 577 K CB 2.285 33.783 32.500 -1.671 0.000 1.244 577 K HN 0.259 nan 8.250 nan 0.000 0.443 578 Y N 1.102 121.138 120.300 -0.441 0.000 2.364 578 Y HA 0.109 4.667 4.550 0.013 0.000 0.340 578 Y C 0.226 176.187 175.900 0.103 0.000 0.975 578 Y CA -0.922 57.100 58.100 -0.129 0.000 1.089 578 Y CB 1.316 39.723 38.460 -0.089 0.000 1.192 578 Y HN 0.698 nan 8.280 nan 0.000 0.454 579 D N 0.415 121.044 120.400 0.382 0.000 2.440 579 D HA 0.020 4.668 4.640 0.012 0.000 0.269 579 D C 0.894 177.303 176.300 0.182 0.000 1.249 579 D CA -0.197 53.991 54.000 0.314 0.000 1.055 579 D CB 0.641 41.568 40.800 0.211 0.000 1.104 579 D HN 0.398 nan 8.370 nan 0.000 0.561 580 E N -0.575 119.694 120.200 0.115 0.000 2.171 580 E HA -0.150 4.208 4.350 0.012 0.000 0.197 580 E C 1.031 177.671 176.600 0.066 0.000 0.997 580 E CA 0.927 57.371 56.400 0.073 0.000 0.810 580 E CB -0.320 29.405 29.700 0.043 0.000 0.738 580 E HN 0.516 nan 8.360 nan 0.000 0.467 581 N N -0.254 118.493 118.700 0.078 0.000 2.314 581 N HA 0.043 4.790 4.740 0.012 0.000 0.200 581 N C 0.952 176.511 175.510 0.083 0.000 1.135 581 N CA 0.710 53.800 53.050 0.066 0.000 0.835 581 N CB 0.983 39.503 38.487 0.054 0.000 0.989 581 N HN 0.146 nan 8.380 nan 0.000 0.478 582 G N 1.327 110.197 108.800 0.118 0.000 2.160 582 G HA2 -0.246 3.722 3.960 0.012 0.000 0.251 582 G HA3 -0.246 3.722 3.960 0.012 0.000 0.251 582 G C -0.339 174.712 174.900 0.252 0.000 1.008 582 G CA -0.311 44.874 45.100 0.142 0.000 0.724 582 G HN 0.340 nan 8.290 nan 0.000 0.514 583 N N 1.542 120.384 118.700 0.237 0.000 2.455 583 N HA 0.443 5.190 4.740 0.012 0.000 0.280 583 N C -2.432 173.188 175.510 0.183 0.000 1.055 583 N CA -1.189 51.986 53.050 0.209 0.000 0.961 583 N CB 1.962 40.537 38.487 0.146 0.000 1.121 583 N HN 0.161 nan 8.380 nan 0.000 0.476 584 P HA 0.222 nan 4.420 nan 0.000 0.274 584 P C -0.526 176.703 177.300 -0.119 0.000 1.231 584 P CA -0.206 62.679 63.100 -0.359 0.000 0.790 584 P CB 0.650 32.165 31.700 -0.308 0.000 0.951 585 W N -0.864 120.180 121.300 -0.426 0.000 3.296 585 W HA 0.381 5.048 4.660 0.012 0.000 0.314 585 W C -1.551 174.782 176.519 -0.310 0.000 1.238 585 W CA -0.985 56.124 57.345 -0.394 0.000 1.193 585 W CB 0.332 29.320 29.460 -0.786 0.000 1.383 585 W HN 0.107 nan 8.180 nan 0.000 0.545 586 S N 1.822 117.611 115.700 0.147 0.000 2.448 586 S HA 0.554 5.031 4.470 0.012 0.000 0.279 586 S C 0.246 175.026 174.600 0.300 0.000 1.195 586 S CA -0.146 58.137 58.200 0.138 0.000 1.051 586 S CB 0.707 64.034 63.200 0.211 0.000 0.948 586 S HN 0.591 nan 8.310 nan 0.000 0.493 587 A N 3.168 126.024 122.820 0.061 0.000 2.311 587 A HA 0.877 5.205 4.320 0.012 0.000 0.334 587 A C -0.609 177.232 177.584 0.428 0.000 1.139 587 A CA -0.730 51.398 52.037 0.150 0.000 0.830 587 A CB 0.645 19.437 19.000 -0.347 0.000 1.234 587 A HN 0.834 nan 8.150 nan 0.000 0.483 588 Y N -0.673 119.934 120.300 0.512 0.000 3.048 588 Y HA 0.778 5.336 4.550 0.013 0.000 0.305 588 Y C 0.677 176.930 175.900 0.587 0.000 1.538 588 Y CA -1.358 57.038 58.100 0.493 0.000 1.082 588 Y CB -0.124 38.457 38.460 0.202 0.000 1.388 588 Y HN 0.865 nan 8.280 nan 0.000 0.557 589 G N -0.325 108.860 108.800 0.642 0.000 2.353 589 G HA2 0.379 4.347 3.960 0.012 0.000 0.239 589 G HA3 0.379 4.347 3.960 0.012 0.000 0.239 589 G C 0.939 176.149 174.900 0.516 0.000 1.295 589 G CA 0.300 45.711 45.100 0.518 0.000 0.884 589 G HN 1.948 nan 8.290 nan 0.000 0.537 590 G N 2.116 111.192 108.800 0.460 0.000 2.253 590 G HA2 -0.286 3.681 3.960 0.012 0.000 0.251 590 G HA3 -0.286 3.681 3.960 0.012 0.000 0.251 590 G C 0.910 175.990 174.900 0.300 0.000 0.998 590 G CA 0.670 45.977 45.100 0.346 0.000 0.621 590 G HN 0.641 nan 8.290 nan 0.000 0.524 591 D N -0.210 120.367 120.400 0.295 0.000 2.392 591 D HA 0.114 4.762 4.640 0.012 0.000 0.228 591 D C 1.242 177.355 176.300 -0.310 0.000 1.003 591 D CA 0.531 54.531 54.000 -0.001 0.000 0.917 591 D CB -0.203 40.547 40.800 -0.082 0.000 0.890 591 D HN 0.493 nan 8.370 nan 0.000 0.532 592 F N -0.867 119.208 119.950 0.208 0.000 2.668 592 F HA 0.312 4.846 4.527 0.013 0.000 0.301 592 F C 1.790 177.674 175.800 0.140 0.000 1.106 592 F CA -0.216 57.864 58.000 0.133 0.000 1.289 592 F CB 0.776 39.847 39.000 0.118 0.000 1.006 592 F HN -0.052 nan 8.300 nan 0.000 0.535 593 G N 0.265 109.215 108.800 0.250 0.000 2.179 593 G HA2 -0.284 3.684 3.960 0.012 0.000 0.260 593 G HA3 -0.284 3.684 3.960 0.012 0.000 0.260 593 G C -0.117 174.915 174.900 0.220 0.000 0.977 593 G CA 0.137 45.355 45.100 0.198 0.000 0.641 593 G HN 0.423 nan 8.290 nan 0.000 0.533 594 D N 0.556 121.137 120.400 0.301 0.000 2.450 594 D HA 0.470 5.118 4.640 0.012 0.000 0.247 594 D C 0.103 176.522 176.300 0.199 0.000 1.162 594 D CA 1.119 55.288 54.000 0.282 0.000 0.879 594 D CB 1.514 42.549 40.800 0.392 0.000 1.163 594 D HN 0.360 nan 8.370 nan 0.000 0.472 595 T N 1.225 115.865 114.554 0.143 0.000 3.047 595 T HA 0.401 4.758 4.350 0.012 0.000 0.340 595 T C -2.727 172.007 174.700 0.057 0.000 1.421 595 T CA -1.136 61.019 62.100 0.091 0.000 1.090 595 T CB 1.039 69.961 68.868 0.091 0.000 1.292 595 T HN 0.217 nan 8.240 nan 0.000 0.480 596 P HA 0.440 nan 4.420 nan 0.000 0.270 596 P C -0.934 176.352 177.300 -0.023 0.000 1.227 596 P CA -0.187 62.908 63.100 -0.008 0.000 0.788 596 P CB 0.277 31.946 31.700 -0.052 0.000 0.926 597 N N -1.731 116.949 118.700 -0.034 0.000 2.610 597 N HA 0.280 5.028 4.740 0.012 0.000 0.264 597 N C -1.181 174.262 175.510 -0.111 0.000 1.348 597 N CA -0.768 52.237 53.050 -0.075 0.000 0.819 597 N CB 0.867 39.404 38.487 0.083 0.000 1.521 597 N HN 0.078 nan 8.380 nan 0.000 0.497 598 D N -0.102 120.163 120.400 -0.224 0.000 2.615 598 D HA 0.127 4.774 4.640 0.012 0.000 0.236 598 D C 0.496 176.996 176.300 0.333 0.000 1.233 598 D CA -0.117 53.847 54.000 -0.060 0.000 0.829 598 D CB 0.123 40.766 40.800 -0.261 0.000 1.024 598 D HN 0.726 nan 8.370 nan 0.000 0.490 599 R N 0.922 121.621 120.500 0.332 0.000 3.682 599 R HA -0.324 4.023 4.340 0.012 0.000 0.519 599 R C 1.091 177.471 176.300 0.134 0.000 0.241 599 R CA 1.541 57.849 56.100 0.347 0.000 1.619 599 R CB -1.573 28.848 30.300 0.201 0.000 0.923 599 R HN 0.151 nan 8.270 nan 0.000 0.598 600 Q N 1.480 121.033 119.800 -0.412 0.000 2.415 600 Q HA 0.011 4.358 4.340 0.012 0.000 0.206 600 Q C 1.498 177.217 176.000 -0.468 0.000 0.946 600 Q CA 1.182 56.533 55.803 -0.752 0.000 0.951 600 Q CB 0.055 28.074 28.738 -1.199 0.000 1.026 600 Q HN 0.614 nan 8.270 nan 0.000 0.510 601 F N 1.412 121.297 119.950 -0.110 0.000 2.641 601 F HA -0.105 4.430 4.527 0.012 0.000 0.298 601 F C 2.078 177.822 175.800 -0.093 0.000 1.146 601 F CA 0.926 58.936 58.000 0.018 0.000 1.464 601 F CB -0.019 39.068 39.000 0.143 0.000 1.101 601 F HN 0.409 nan 8.300 nan 0.000 0.585 602 C N -1.462 117.557 119.300 -0.469 0.000 2.626 602 C HA 0.281 4.748 4.460 0.012 0.000 0.266 602 C C 0.930 175.715 174.990 -0.342 0.000 1.317 602 C CA -0.555 58.027 59.018 -0.727 0.000 1.716 602 C CB -1.644 25.146 27.740 -1.584 0.000 1.819 602 C HN 0.161 nan 8.230 nan 0.000 0.578 603 M N 2.679 122.126 119.600 -0.256 0.000 2.055 603 M HA 0.282 4.770 4.480 0.012 0.000 0.346 603 M C -0.430 175.736 176.300 -0.222 0.000 1.074 603 M CA 0.343 55.524 55.300 -0.199 0.000 1.009 603 M CB 0.210 32.721 32.600 -0.149 0.000 1.423 603 M HN 0.357 nan 8.290 nan 0.000 0.410 604 N N 1.012 119.577 118.700 -0.224 0.000 2.240 604 N HA 0.188 4.936 4.740 0.012 0.000 0.240 604 N C 0.302 175.594 175.510 -0.365 0.000 1.277 604 N CA -0.518 52.349 53.050 -0.305 0.000 0.873 604 N CB 1.203 39.577 38.487 -0.188 0.000 1.222 604 N HN 0.671 nan 8.380 nan 0.000 0.507 605 G N 0.103 108.708 108.800 -0.326 0.000 2.476 605 G HA2 0.319 4.286 3.960 0.012 0.000 0.269 605 G HA3 0.319 4.286 3.960 0.012 0.000 0.269 605 G C 0.799 175.527 174.900 -0.287 0.000 1.195 605 G CA -0.530 44.374 45.100 -0.327 0.000 0.843 605 G HN 0.120 nan 8.290 nan 0.000 0.545 606 L N 0.404 121.424 121.223 -0.338 0.000 2.275 606 L HA 0.058 4.405 4.340 0.012 0.000 0.215 606 L C 1.051 177.725 176.870 -0.326 0.000 1.119 606 L CA 0.561 55.226 54.840 -0.291 0.000 0.790 606 L CB -0.512 41.393 42.059 -0.257 0.000 0.919 606 L HN 0.420 nan 8.230 nan 0.000 0.443 607 V N -5.214 114.364 119.914 -0.559 0.000 2.914 607 V HA 0.455 4.583 4.120 0.012 0.000 0.314 607 V C -0.151 175.612 176.094 -0.551 0.000 1.084 607 V CA -1.340 60.590 62.300 -0.615 0.000 0.963 607 V CB 1.567 32.947 31.823 -0.738 0.000 1.025 607 V HN -0.147 nan 8.190 nan 0.000 0.432 608 F N 1.558 121.147 119.950 -0.602 0.000 2.480 608 F HA 0.494 5.029 4.527 0.013 0.000 0.319 608 F C 1.983 177.641 175.800 -0.237 0.000 1.230 608 F CA 0.770 58.536 58.000 -0.391 0.000 1.285 608 F CB 0.757 39.524 39.000 -0.388 0.000 1.208 608 F HN 0.791 nan 8.300 nan 0.000 0.579 609 A N 0.756 123.634 122.820 0.098 0.000 1.978 609 A HA -0.222 4.105 4.320 0.012 0.000 0.220 609 A C 1.548 179.096 177.584 -0.060 0.000 1.170 609 A CA 1.905 53.967 52.037 0.042 0.000 0.636 609 A CB -0.935 18.133 19.000 0.113 0.000 0.810 609 A HN 0.779 nan 8.150 nan 0.000 0.448 610 D N -3.059 117.305 120.400 -0.060 0.000 2.336 610 D HA 0.194 4.842 4.640 0.012 0.000 0.228 610 D C 0.598 176.851 176.300 -0.079 0.000 1.120 610 D CA -0.149 53.785 54.000 -0.109 0.000 0.839 610 D CB -0.041 40.693 40.800 -0.109 0.000 0.932 610 D HN 0.184 nan 8.370 nan 0.000 0.509 611 R N -1.823 118.631 120.500 -0.077 0.000 3.728 611 R HA -0.121 4.226 4.340 0.012 0.000 0.478 611 R C -0.295 175.959 176.300 -0.078 0.000 0.932 611 R CA 1.098 57.147 56.100 -0.085 0.000 1.317 611 R CB -3.199 27.098 30.300 -0.005 0.000 1.987 611 R HN 0.269 nan 8.270 nan 0.000 0.509 612 T N 2.469 116.993 114.554 -0.051 0.000 2.901 612 T HA 0.343 4.701 4.350 0.012 0.000 0.301 612 T C -2.301 172.386 174.700 -0.022 0.000 1.012 612 T CA -0.754 61.326 62.100 -0.033 0.000 1.135 612 T CB 1.031 69.846 68.868 -0.088 0.000 0.936 612 T HN -0.104 nan 8.240 nan 0.000 0.539 613 P HA 0.171 nan 4.420 nan 0.000 0.275 613 P C -0.007 177.205 177.300 -0.147 0.000 1.227 613 P CA -0.290 62.731 63.100 -0.132 0.000 0.781 613 P CB 0.443 32.110 31.700 -0.055 0.000 0.906 614 H N 3.049 121.983 119.070 -0.226 0.000 2.508 614 H HA 0.128 4.692 4.556 0.012 0.000 0.358 614 H C -1.400 173.841 175.328 -0.145 0.000 1.212 614 H CA -1.522 54.359 56.048 -0.278 0.000 1.356 614 H CB 0.070 29.603 29.762 -0.381 0.000 1.525 614 H HN 0.277 nan 8.280 nan 0.000 0.578 615 P HA -0.114 nan 4.420 nan 0.000 0.218 615 P C 1.182 178.483 177.300 0.002 0.000 1.148 615 P CA 1.684 64.781 63.100 -0.006 0.000 0.822 615 P CB 0.068 31.768 31.700 0.000 0.000 0.784 616 A N -0.490 122.325 122.820 -0.007 0.000 2.024 616 A HA -0.201 4.127 4.320 0.012 0.000 0.220 616 A C 2.065 179.606 177.584 -0.071 0.000 1.164 616 A CA 1.294 53.291 52.037 -0.068 0.000 0.643 616 A CB -1.628 17.287 19.000 -0.141 0.000 0.806 616 A HN 0.163 nan 8.150 nan 0.000 0.451 617 L N -0.454 120.754 121.223 -0.026 0.000 2.043 617 L HA -0.157 4.190 4.340 0.012 0.000 0.212 617 L C 2.553 179.479 176.870 0.093 0.000 1.075 617 L CA 2.791 57.654 54.840 0.038 0.000 0.752 617 L CB -1.014 41.066 42.059 0.035 0.000 0.891 617 L HN 0.403 nan 8.230 nan 0.000 0.432 618 T N -1.838 112.771 114.554 0.091 0.000 2.867 618 T HA -0.192 4.166 4.350 0.012 0.000 0.268 618 T C 1.807 176.627 174.700 0.201 0.000 1.057 618 T CA 1.397 63.606 62.100 0.182 0.000 1.136 618 T CB -0.141 68.809 68.868 0.137 0.000 0.874 618 T HN 0.477 nan 8.240 nan 0.000 0.466 619 E N 0.748 121.003 120.200 0.093 0.000 2.077 619 E HA 0.059 4.416 4.350 0.012 0.000 0.193 619 E C 2.171 178.800 176.600 0.048 0.000 0.989 619 E CA 1.363 57.820 56.400 0.095 0.000 0.800 619 E CB -0.596 29.126 29.700 0.036 0.000 0.746 619 E HN 0.552 nan 8.360 nan 0.000 0.452 620 A N 0.801 123.555 122.820 -0.110 0.000 1.898 620 A HA -0.183 4.145 4.320 0.012 0.000 0.216 620 A C 2.139 179.628 177.584 -0.159 0.000 1.181 620 A CA 1.749 53.684 52.037 -0.170 0.000 0.620 620 A CB -0.555 18.315 19.000 -0.216 0.000 0.819 620 A HN 0.239 nan 8.150 nan 0.000 0.442 621 K N -1.109 119.274 120.400 -0.027 0.000 2.032 621 K HA -0.289 4.038 4.320 0.012 0.000 0.209 621 K C 2.055 178.559 176.600 -0.160 0.000 1.048 621 K CA 2.031 58.307 56.287 -0.018 0.000 0.927 621 K CB -0.346 32.298 32.500 0.239 0.000 0.712 621 K HN 0.647 nan 8.250 nan 0.000 0.441 622 H N 0.319 119.229 119.070 -0.267 0.000 2.326 622 H HA -0.031 4.533 4.556 0.013 0.000 0.301 622 H C 1.979 177.037 175.328 -0.450 0.000 1.081 622 H CA 1.822 57.520 56.048 -0.582 0.000 1.334 622 H CB 0.091 29.540 29.762 -0.523 0.000 1.385 622 H HN 0.232 nan 8.280 nan 0.000 0.504 623 Q N 0.251 119.798 119.800 -0.421 0.000 2.224 623 Q HA -0.089 4.258 4.340 0.012 0.000 0.203 623 Q C 1.485 176.937 176.000 -0.913 0.000 0.970 623 Q CA 1.159 56.630 55.803 -0.553 0.000 0.865 623 Q CB 0.028 28.591 28.738 -0.291 0.000 0.922 623 Q HN 0.714 nan 8.270 nan 0.000 0.445 624 Q N 0.410 119.622 119.800 -0.980 0.000 2.282 624 Q HA 0.071 4.418 4.340 0.012 0.000 0.205 624 Q C -0.126 175.320 176.000 -0.924 0.000 0.915 624 Q CA -0.191 54.881 55.803 -1.218 0.000 0.949 624 Q CB 0.237 28.300 28.738 -1.125 0.000 1.035 624 Q HN 0.374 nan 8.270 nan 0.000 0.484 625 Q N -0.520 118.883 119.800 -0.661 0.000 2.428 625 Q HA -0.012 4.336 4.340 0.012 0.000 0.276 625 Q C -0.105 175.555 176.000 -0.567 0.000 1.059 625 Q CA 0.407 55.962 55.803 -0.413 0.000 0.923 625 Q CB 0.459 29.046 28.738 -0.252 0.000 1.283 625 Q HN 0.312 nan 8.270 nan 0.000 0.447 626 F N -0.023 119.695 119.950 -0.386 0.000 2.695 626 F HA 0.241 4.776 4.527 0.012 0.000 0.303 626 F C -0.236 174.968 175.800 -0.993 0.000 1.091 626 F CA -0.067 57.459 58.000 -0.789 0.000 1.300 626 F CB 0.628 38.888 39.000 -1.234 0.000 1.071 626 F HN 0.311 nan 8.300 nan 0.000 0.578 627 F N 0.594 120.460 119.950 -0.140 0.000 2.493 627 F HA 0.462 4.997 4.527 0.013 0.000 0.329 627 F C -0.115 175.340 175.800 -0.576 0.000 1.126 627 F CA -1.087 56.718 58.000 -0.324 0.000 0.937 627 F CB 1.247 40.075 39.000 -0.286 0.000 1.146 627 F HN -0.308 nan 8.300 nan 0.000 0.442 628 Q N 3.333 122.878 119.800 -0.426 0.000 2.266 628 Q HA 0.575 4.923 4.340 0.012 0.000 0.261 628 Q C -1.277 174.458 176.000 -0.441 0.000 0.985 628 Q CA -0.573 55.037 55.803 -0.320 0.000 0.873 628 Q CB 2.735 31.397 28.738 -0.128 0.000 1.306 628 Q HN 0.554 nan 8.270 nan 0.000 0.447 629 F N 0.186 120.259 119.950 0.206 0.000 2.588 629 F HA 0.590 5.125 4.527 0.013 0.000 0.314 629 F C 0.351 176.388 175.800 0.395 0.000 1.069 629 F CA -0.849 57.347 58.000 0.326 0.000 0.931 629 F CB 2.110 41.435 39.000 0.541 0.000 1.260 629 F HN 0.153 nan 8.300 nan 0.000 0.465 630 R N 1.409 122.209 120.500 0.500 0.000 2.795 630 R HA 0.741 5.089 4.340 0.012 0.000 0.275 630 R C -2.022 174.316 176.300 0.064 0.000 0.981 630 R CA -1.263 55.042 56.100 0.341 0.000 0.917 630 R CB 2.943 33.353 30.300 0.185 0.000 1.202 630 R HN 0.547 nan 8.270 nan 0.000 0.469 631 L N 0.369 121.495 121.223 -0.162 0.000 2.362 631 L HA 0.528 4.875 4.340 0.012 0.000 0.275 631 L C -1.117 175.585 176.870 -0.279 0.000 0.998 631 L CA 0.048 54.577 54.840 -0.518 0.000 0.820 631 L CB 2.240 43.539 42.059 -1.267 0.000 1.270 631 L HN 0.505 nan 8.230 nan 0.000 0.415 632 S N 3.427 118.992 115.700 -0.225 0.000 2.789 632 S HA 0.697 5.175 4.470 0.012 0.000 0.286 632 S C 0.285 174.795 174.600 -0.151 0.000 1.153 632 S CA 0.202 58.316 58.200 -0.144 0.000 1.084 632 S CB 0.517 63.667 63.200 -0.083 0.000 1.036 632 S HN 1.435 nan 8.310 nan 0.000 0.484 633 G N 4.131 112.843 108.800 -0.147 0.000 2.574 633 G HA2 -0.281 3.686 3.960 0.012 0.000 0.301 633 G HA3 -0.281 3.686 3.960 0.012 0.000 0.301 633 G C 0.287 175.080 174.900 -0.177 0.000 1.166 633 G CA 0.597 45.616 45.100 -0.135 0.000 0.971 633 G HN 0.658 nan 8.290 nan 0.000 0.542 634 Q N 0.731 120.430 119.800 -0.168 0.000 2.198 634 Q HA 0.247 4.594 4.340 0.012 0.000 0.209 634 Q C -0.040 175.825 176.000 -0.227 0.000 0.848 634 Q CA 0.436 56.112 55.803 -0.210 0.000 0.974 634 Q CB 0.970 29.595 28.738 -0.189 0.000 1.115 634 Q HN 0.433 nan 8.270 nan 0.000 0.494 635 T N 1.648 116.086 114.554 -0.194 0.000 2.749 635 T HA 0.462 4.819 4.350 0.012 0.000 0.287 635 T C 0.037 174.624 174.700 -0.189 0.000 0.970 635 T CA -0.254 61.747 62.100 -0.165 0.000 0.980 635 T CB 0.952 69.755 68.868 -0.108 0.000 0.924 635 T HN 0.065 nan 8.240 nan 0.000 0.456 636 I N 2.903 123.374 120.570 -0.164 0.000 2.353 636 I HA 0.326 4.504 4.170 0.012 0.000 0.293 636 I C 0.549 176.675 176.117 0.017 0.000 0.992 636 I CA -0.586 60.645 61.300 -0.114 0.000 1.268 636 I CB 1.302 39.261 38.000 -0.068 0.000 1.387 636 I HN 0.563 nan 8.210 nan 0.000 0.478 637 E N 6.481 126.725 120.200 0.073 0.000 2.145 637 E HA 0.435 4.793 4.350 0.012 0.000 0.270 637 E C -1.577 175.120 176.600 0.161 0.000 0.906 637 E CA -0.622 55.833 56.400 0.092 0.000 0.761 637 E CB 1.701 31.440 29.700 0.066 0.000 1.116 637 E HN 0.352 nan 8.360 nan 0.000 0.408 638 V N 4.105 124.095 119.914 0.126 0.000 2.394 638 V HA 0.326 4.454 4.120 0.012 0.000 0.282 638 V C -0.007 176.091 176.094 0.007 0.000 1.031 638 V CA -0.467 61.862 62.300 0.049 0.000 0.881 638 V CB 1.652 33.534 31.823 0.098 0.000 0.982 638 V HN 0.712 nan 8.190 nan 0.000 0.451 639 T N 3.343 117.859 114.554 -0.065 0.000 2.807 639 T HA 0.329 4.687 4.350 0.012 0.000 0.279 639 T C -0.062 174.622 174.700 -0.027 0.000 0.993 639 T CA -0.253 61.831 62.100 -0.027 0.000 0.970 639 T CB 1.553 70.394 68.868 -0.046 0.000 0.950 639 T HN 0.694 nan 8.240 nan 0.000 0.441 640 S N 1.883 117.586 115.700 0.006 0.000 2.537 640 S HA 0.214 4.692 4.470 0.012 0.000 0.275 640 S C 0.741 175.214 174.600 -0.211 0.000 1.272 640 S CA -0.478 57.658 58.200 -0.107 0.000 1.050 640 S CB 0.560 63.778 63.200 0.029 0.000 0.961 640 S HN 0.730 nan 8.310 nan 0.000 0.496 641 E N 2.876 122.840 120.200 -0.393 0.000 2.501 641 E HA 0.114 4.471 4.350 0.012 0.000 0.201 641 E C -0.787 175.621 176.600 -0.320 0.000 1.016 641 E CA -0.139 56.072 56.400 -0.314 0.000 0.920 641 E CB 0.331 29.831 29.700 -0.334 0.000 1.023 641 E HN 0.695 nan 8.360 nan 0.000 0.474 642 Y N 0.331 120.509 120.300 -0.203 0.000 2.397 642 Y HA 0.010 4.567 4.550 0.012 0.000 0.335 642 Y C 1.417 177.165 175.900 -0.254 0.000 1.213 642 Y CA 0.091 58.075 58.100 -0.192 0.000 1.391 642 Y CB 0.790 39.122 38.460 -0.213 0.000 1.293 642 Y HN -0.024 nan 8.280 nan 0.000 0.557 643 L N 1.110 122.185 121.223 -0.247 0.000 2.408 643 L HA 0.074 4.421 4.340 0.012 0.000 0.215 643 L C 0.596 177.054 176.870 -0.687 0.000 1.081 643 L CA 0.615 55.061 54.840 -0.656 0.000 0.840 643 L CB 0.073 41.323 42.059 -1.347 0.000 1.002 643 L HN 0.653 nan 8.230 nan 0.000 0.468 644 F N -0.602 119.375 119.950 0.045 0.000 2.784 644 F HA 0.215 4.749 4.527 0.011 0.000 0.316 644 F C 1.198 176.991 175.800 -0.012 0.000 1.026 644 F CA -0.770 57.227 58.000 -0.005 0.000 1.188 644 F CB 0.426 39.401 39.000 -0.042 0.000 0.999 644 F HN -0.135 nan 8.300 nan 0.000 0.605 645 R N 0.010 120.568 120.500 0.096 0.000 2.720 645 R HA 0.491 4.839 4.340 0.012 0.000 0.272 645 R C -1.020 175.294 176.300 0.023 0.000 0.991 645 R CA -0.688 55.415 56.100 0.005 0.000 1.010 645 R CB 1.039 31.237 30.300 -0.170 0.000 1.141 645 R HN 0.048 nan 8.270 nan 0.000 0.494 646 H N 0.327 119.385 119.070 -0.020 0.000 2.544 646 H HA 0.133 4.696 4.556 0.012 0.000 0.365 646 H C -0.073 175.270 175.328 0.025 0.000 1.268 646 H CA 0.117 56.182 56.048 0.029 0.000 1.400 646 H CB 1.223 31.005 29.762 0.032 0.000 1.538 646 H HN 0.737 nan 8.280 nan 0.000 0.597 647 S N 1.414 116.990 115.700 -0.206 0.000 4.069 647 S HA 0.002 4.479 4.470 0.012 0.000 0.192 647 S C -0.034 174.642 174.600 0.126 0.000 1.441 647 S CA -0.238 57.987 58.200 0.042 0.000 0.994 647 S CB -0.803 62.435 63.200 0.062 0.000 1.456 647 S HN 0.701 nan 8.310 nan 0.000 0.458 648 D N 0.540 121.037 120.400 0.161 0.000 2.324 648 D HA 0.028 4.675 4.640 0.012 0.000 0.235 648 D C 0.376 176.724 176.300 0.080 0.000 1.095 648 D CA -0.111 53.983 54.000 0.157 0.000 0.871 648 D CB -0.294 40.584 40.800 0.129 0.000 0.906 648 D HN 0.483 nan 8.370 nan 0.000 0.522 649 N N 0.017 118.758 118.700 0.067 0.000 2.636 649 N HA 0.159 4.906 4.740 0.012 0.000 0.287 649 N C -1.597 173.945 175.510 0.053 0.000 1.817 649 N CA -0.224 52.853 53.050 0.046 0.000 0.842 649 N CB 0.277 38.780 38.487 0.026 0.000 1.353 649 N HN -0.028 nan 8.380 nan 0.000 0.500 650 E N -0.183 120.041 120.200 0.039 0.000 2.352 650 E HA 0.541 4.899 4.350 0.012 0.000 0.280 650 E C -1.489 175.103 176.600 -0.014 0.000 0.930 650 E CA -0.732 55.669 56.400 0.001 0.000 0.765 650 E CB 1.973 31.640 29.700 -0.055 0.000 1.219 650 E HN 0.268 nan 8.360 nan 0.000 0.434 651 L N -0.232 120.970 121.223 -0.035 0.000 2.376 651 L HA 0.751 5.098 4.340 0.012 0.000 0.258 651 L C -1.564 175.298 176.870 -0.013 0.000 1.013 651 L CA -1.074 53.766 54.840 0.000 0.000 0.822 651 L CB 1.006 43.097 42.059 0.054 0.000 1.388 651 L HN 0.485 nan 8.230 nan 0.000 0.413 652 L N 1.579 122.857 121.223 0.091 0.000 2.272 652 L HA 0.539 4.886 4.340 0.012 0.000 0.289 652 L C -0.685 176.361 176.870 0.295 0.000 1.032 652 L CA 0.306 55.241 54.840 0.158 0.000 0.810 652 L CB 0.617 42.799 42.059 0.204 0.000 1.205 652 L HN 0.674 nan 8.230 nan 0.000 0.422 653 H N 5.300 124.451 119.070 0.135 0.000 2.458 653 H HA 0.461 5.024 4.556 0.013 0.000 0.330 653 H C -1.171 174.249 175.328 0.153 0.000 1.111 653 H CA -0.756 55.329 56.048 0.061 0.000 1.245 653 H CB 1.095 30.855 29.762 -0.004 0.000 1.456 653 H HN 0.671 nan 8.280 nan 0.000 0.488 654 W N 3.571 124.965 121.300 0.157 0.000 2.950 654 W HA 0.539 5.207 4.660 0.012 0.000 0.340 654 W C -1.726 174.839 176.519 0.077 0.000 1.139 654 W CA -1.458 55.955 57.345 0.114 0.000 1.188 654 W CB 1.299 30.816 29.460 0.094 0.000 1.426 654 W HN 0.586 nan 8.180 nan 0.000 0.531 655 M N 2.458 122.276 119.600 0.363 0.000 2.413 655 M HA 0.648 5.135 4.480 0.012 0.000 0.287 655 M C -2.590 173.909 176.300 0.331 0.000 1.186 655 M CA -0.506 54.885 55.300 0.152 0.000 0.927 655 M CB 2.174 34.751 32.600 -0.039 0.000 1.715 655 M HN 0.119 nan 8.290 nan 0.000 0.478 656 V N 3.018 123.115 119.914 0.305 0.000 2.495 656 V HA 1.024 5.152 4.120 0.012 0.000 0.298 656 V C -0.277 175.924 176.094 0.177 0.000 1.031 656 V CA -0.062 62.406 62.300 0.281 0.000 0.871 656 V CB 1.244 33.252 31.823 0.309 0.000 0.988 656 V HN 1.119 nan 8.190 nan 0.000 0.432 657 A N 4.281 127.215 122.820 0.190 0.000 2.539 657 A HA 0.903 5.231 4.320 0.012 0.000 0.296 657 A C -1.584 176.109 177.584 0.182 0.000 1.073 657 A CA -0.631 51.485 52.037 0.132 0.000 0.700 657 A CB 1.796 20.837 19.000 0.067 0.000 1.296 657 A HN 0.839 nan 8.150 nan 0.000 0.405 658 L N 1.189 122.492 121.223 0.133 0.000 2.276 658 L HA 0.584 4.931 4.340 0.012 0.000 0.286 658 L C -0.685 176.281 176.870 0.160 0.000 1.024 658 L CA 0.289 55.222 54.840 0.156 0.000 0.826 658 L CB 0.459 42.577 42.059 0.099 0.000 1.211 658 L HN 0.752 nan 8.230 nan 0.000 0.422 659 D N 4.806 125.369 120.400 0.272 0.000 2.697 659 D HA -0.187 4.461 4.640 0.012 0.000 0.235 659 D C 1.202 177.537 176.300 0.058 0.000 1.167 659 D CA 1.640 55.791 54.000 0.251 0.000 0.656 659 D CB -1.015 39.888 40.800 0.171 0.000 1.025 659 D HN 1.180 nan 8.370 nan 0.000 0.419 660 G N -0.644 108.147 108.800 -0.014 0.000 2.205 660 G HA2 -0.378 3.589 3.960 0.012 0.000 0.261 660 G HA3 -0.378 3.589 3.960 0.012 0.000 0.261 660 G C 0.216 175.035 174.900 -0.136 0.000 0.980 660 G CA 0.623 45.605 45.100 -0.198 0.000 0.632 660 G HN 0.517 nan 8.290 nan 0.000 0.533 661 K N 1.756 122.127 120.400 -0.048 0.000 2.253 661 K HA 0.472 4.799 4.320 0.012 0.000 0.277 661 K C -2.776 173.812 176.600 -0.020 0.000 1.053 661 K CA -1.992 54.269 56.287 -0.043 0.000 0.892 661 K CB 1.944 34.435 32.500 -0.015 0.000 1.102 661 K HN 0.039 nan 8.250 nan 0.000 0.469 662 P HA 0.011 nan 4.420 nan 0.000 0.267 662 P C -0.014 177.281 177.300 -0.009 0.000 1.209 662 P CA 0.139 63.220 63.100 -0.032 0.000 0.763 662 P CB 0.627 32.285 31.700 -0.069 0.000 0.816 663 L N 1.532 122.769 121.223 0.023 0.000 2.577 663 L HA 0.493 4.841 4.340 0.012 0.000 0.225 663 L C 0.954 177.850 176.870 0.043 0.000 1.053 663 L CA 0.313 55.176 54.840 0.039 0.000 0.866 663 L CB 0.158 42.259 42.059 0.069 0.000 1.132 663 L HN 0.391 nan 8.230 nan 0.000 0.486 664 A N -0.330 122.520 122.820 0.049 0.000 2.586 664 A HA 0.709 5.037 4.320 0.012 0.000 0.291 664 A C -1.035 176.440 177.584 -0.182 0.000 1.062 664 A CA 0.118 52.169 52.037 0.023 0.000 0.666 664 A CB 1.503 20.627 19.000 0.206 0.000 1.281 664 A HN 0.068 nan 8.150 nan 0.000 0.421 665 S N -1.109 114.241 115.700 -0.584 0.000 2.627 665 S HA 0.919 5.396 4.470 0.012 0.000 0.268 665 S C -0.278 173.421 174.600 -1.501 0.000 1.130 665 S CA 0.128 57.538 58.200 -1.318 0.000 0.819 665 S CB 0.750 63.569 63.200 -0.635 0.000 1.100 665 S HN 2.732 nan 8.310 nan 0.000 0.465 666 G N -0.079 107.578 108.800 -1.904 0.000 2.428 666 G HA2 0.636 4.604 3.960 0.012 0.000 0.304 666 G HA3 0.636 4.604 3.960 0.012 0.000 0.304 666 G C -2.408 172.110 174.900 -0.637 0.000 1.303 666 G CA -0.800 43.733 45.100 -0.945 0.000 0.825 666 G HN 0.889 nan 8.290 nan 0.000 0.484 667 E N -1.441 118.719 120.200 -0.067 0.000 2.356 667 E HA 0.642 5.000 4.350 0.012 0.000 0.275 667 E C -1.559 175.194 176.600 0.255 0.000 0.904 667 E CA -0.927 55.570 56.400 0.161 0.000 0.757 667 E CB 3.250 33.034 29.700 0.140 0.000 1.232 667 E HN 0.361 nan 8.360 nan 0.000 0.442 668 V N 2.066 122.142 119.914 0.270 0.000 2.760 668 V HA 0.417 4.545 4.120 0.012 0.000 0.309 668 V C -2.431 173.754 176.094 0.151 0.000 1.077 668 V CA -1.970 60.451 62.300 0.201 0.000 0.910 668 V CB 2.185 34.132 31.823 0.206 0.000 1.008 668 V HN 0.596 nan 8.190 nan 0.000 0.424 669 P HA 0.266 nan 4.420 nan 0.000 0.271 669 P C -0.917 176.430 177.300 0.079 0.000 1.218 669 P CA -0.140 63.014 63.100 0.091 0.000 0.780 669 P CB 0.956 32.707 31.700 0.084 0.000 0.901 670 L N 2.727 123.980 121.223 0.050 0.000 2.282 670 L HA 0.323 4.670 4.340 0.012 0.000 0.288 670 L C 0.088 176.982 176.870 0.041 0.000 1.033 670 L CA -0.001 54.850 54.840 0.018 0.000 0.807 670 L CB 1.083 43.095 42.059 -0.079 0.000 1.209 670 L HN 0.303 nan 8.230 nan 0.000 0.423 671 D N 2.864 123.296 120.400 0.052 0.000 2.468 671 D HA 0.326 4.973 4.640 0.012 0.000 0.272 671 D C -1.112 175.152 176.300 -0.060 0.000 1.221 671 D CA -0.018 54.054 54.000 0.120 0.000 0.860 671 D CB 1.061 41.999 40.800 0.230 0.000 1.190 671 D HN 0.005 nan 8.370 nan 0.000 0.509 672 V N 1.120 120.842 119.914 -0.319 0.000 2.555 672 V HA 0.849 4.977 4.120 0.012 0.000 0.302 672 V C 0.740 176.588 176.094 -0.411 0.000 1.038 672 V CA -1.206 60.979 62.300 -0.192 0.000 0.887 672 V CB 1.556 33.390 31.823 0.017 0.000 0.991 672 V HN 0.457 nan 8.190 nan 0.000 0.434 673 A N 6.223 128.977 122.820 -0.110 0.000 2.313 673 A HA 0.710 5.038 4.320 0.012 0.000 0.261 673 A C -2.319 175.283 177.584 0.030 0.000 1.090 673 A CA -1.487 50.579 52.037 0.049 0.000 0.807 673 A CB -0.142 18.950 19.000 0.153 0.000 1.055 673 A HN 0.675 nan 8.150 nan 0.000 0.492 674 P HA 0.031 nan 4.420 nan 0.000 0.265 674 P C -0.465 176.835 177.300 -0.001 0.000 1.193 674 P CA 0.566 63.685 63.100 0.033 0.000 0.765 674 P CB 0.446 32.156 31.700 0.016 0.000 0.823 675 Q N -1.092 118.689 119.800 -0.032 0.000 2.348 675 Q HA -0.199 4.149 4.340 0.012 0.000 0.221 675 Q C 0.841 176.831 176.000 -0.016 0.000 0.735 675 Q CA 1.376 57.152 55.803 -0.045 0.000 1.351 675 Q CB -2.258 26.447 28.738 -0.055 0.000 1.640 675 Q HN 0.768 nan 8.270 nan 0.000 0.667 676 G N 0.422 109.226 108.800 0.007 0.000 2.557 676 G HA2 0.546 4.513 3.960 0.012 0.000 0.292 676 G HA3 0.546 4.513 3.960 0.012 0.000 0.292 676 G C -0.387 174.528 174.900 0.024 0.000 1.237 676 G CA -0.528 44.585 45.100 0.022 0.000 0.978 676 G HN -0.000 nan 8.290 nan 0.000 0.498 677 K N -0.666 119.753 120.400 0.031 0.000 2.435 677 K HA 0.482 4.809 4.320 0.012 0.000 0.251 677 K C -0.922 175.703 176.600 0.043 0.000 0.954 677 K CA -0.624 55.684 56.287 0.034 0.000 0.820 677 K CB 2.647 35.163 32.500 0.026 0.000 1.292 677 K HN 0.508 nan 8.250 nan 0.000 0.436 678 Q N 2.486 122.315 119.800 0.050 0.000 2.331 678 Q HA 0.432 4.780 4.340 0.012 0.000 0.272 678 Q C -1.671 174.360 176.000 0.052 0.000 1.062 678 Q CA -0.672 55.163 55.803 0.053 0.000 0.806 678 Q CB 1.524 30.297 28.738 0.059 0.000 1.312 678 Q HN 0.517 nan 8.270 nan 0.000 0.431 679 L N 4.844 126.089 121.223 0.038 0.000 2.307 679 L HA 0.603 4.950 4.340 0.012 0.000 0.284 679 L C -0.593 176.287 176.870 0.016 0.000 1.023 679 L CA -0.731 54.123 54.840 0.022 0.000 0.810 679 L CB 1.522 43.586 42.059 0.008 0.000 1.231 679 L HN 0.590 nan 8.230 nan 0.000 0.423 680 I N 2.639 123.210 120.570 0.001 0.000 2.439 680 I HA 0.259 4.436 4.170 0.012 0.000 0.285 680 I C -0.747 175.325 176.117 -0.076 0.000 1.021 680 I CA -0.586 60.704 61.300 -0.017 0.000 1.091 680 I CB 2.196 40.203 38.000 0.011 0.000 1.242 680 I HN 0.548 nan 8.210 nan 0.000 0.439 681 E N 6.365 126.516 120.200 -0.081 0.000 2.134 681 E HA 0.486 4.844 4.350 0.012 0.000 0.278 681 E C -0.733 175.765 176.600 -0.171 0.000 0.959 681 E CA -0.409 55.919 56.400 -0.120 0.000 0.783 681 E CB 1.565 31.214 29.700 -0.085 0.000 1.095 681 E HN 0.417 nan 8.360 nan 0.000 0.399 682 L N 4.728 125.787 121.223 -0.272 0.000 2.436 682 L HA 0.360 4.707 4.340 0.012 0.000 0.265 682 L C -1.731 174.980 176.870 -0.264 0.000 1.168 682 L CA -2.032 52.562 54.840 -0.410 0.000 0.815 682 L CB 0.195 41.872 42.059 -0.636 0.000 1.109 682 L HN 0.360 nan 8.230 nan 0.000 0.462 683 P HA -0.066 nan 4.420 nan 0.000 0.270 683 P C -0.517 176.735 177.300 -0.080 0.000 1.227 683 P CA -0.295 62.759 63.100 -0.076 0.000 0.788 683 P CB 0.315 32.044 31.700 0.049 0.000 0.926 684 E N 1.436 121.618 120.200 -0.029 0.000 2.585 684 E HA -0.020 4.337 4.350 0.012 0.000 0.252 684 E C -0.729 175.869 176.600 -0.004 0.000 0.981 684 E CA 0.237 56.623 56.400 -0.023 0.000 0.943 684 E CB -0.005 29.693 29.700 -0.004 0.000 0.923 684 E HN 0.287 nan 8.360 nan 0.000 0.486 685 L N 5.630 126.839 121.223 -0.023 0.000 2.387 685 L HA 0.414 4.762 4.340 0.012 0.000 0.266 685 L C -1.966 174.921 176.870 0.029 0.000 1.059 685 L CA -2.459 52.386 54.840 0.010 0.000 0.801 685 L CB 1.049 43.092 42.059 -0.027 0.000 1.223 685 L HN 0.509 nan 8.230 nan 0.000 0.456 686 P HA 0.088 nan 4.420 nan 0.000 0.268 686 P C -1.258 176.061 177.300 0.032 0.000 1.204 686 P CA -0.051 63.080 63.100 0.051 0.000 0.768 686 P CB 0.443 32.185 31.700 0.070 0.000 0.842 687 Q N 2.547 122.361 119.800 0.022 0.000 2.928 687 Q HA 0.250 4.598 4.340 0.012 0.000 0.353 687 Q C -2.174 173.835 176.000 0.015 0.000 0.870 687 Q CA -1.333 54.478 55.803 0.013 0.000 0.963 687 Q CB 0.502 29.242 28.738 0.002 0.000 1.419 687 Q HN 0.430 nan 8.270 nan 0.000 0.396 688 P HA 0.024 nan 4.420 nan 0.000 0.271 688 P C -0.139 177.173 177.300 0.019 0.000 1.218 688 P CA 0.026 63.139 63.100 0.023 0.000 0.780 688 P CB 1.089 32.808 31.700 0.031 0.000 0.901 689 E N -0.233 119.978 120.200 0.018 0.000 2.501 689 E HA 0.053 4.410 4.350 0.012 0.000 0.201 689 E C 0.498 177.111 176.600 0.021 0.000 1.016 689 E CA -0.183 56.227 56.400 0.017 0.000 0.920 689 E CB 0.086 29.794 29.700 0.013 0.000 1.023 689 E HN 0.342 nan 8.360 nan 0.000 0.474 690 S N 1.246 116.961 115.700 0.025 0.000 2.564 690 S HA 0.385 4.863 4.470 0.012 0.000 0.278 690 S C 0.358 174.979 174.600 0.036 0.000 1.333 690 S CA -0.222 57.996 58.200 0.030 0.000 1.048 690 S CB 0.689 63.907 63.200 0.031 0.000 0.900 690 S HN 0.316 nan 8.310 nan 0.000 0.505 691 A N 3.324 126.168 122.820 0.040 0.000 2.466 691 A HA 0.646 4.974 4.320 0.012 0.000 0.238 691 A C 0.976 178.595 177.584 0.059 0.000 1.074 691 A CA 0.406 52.471 52.037 0.046 0.000 0.774 691 A CB -0.741 18.288 19.000 0.049 0.000 1.015 691 A HN 1.959 nan 8.150 nan 0.000 0.498 692 G N -0.332 108.505 108.800 0.061 0.000 2.361 692 G HA2 0.441 4.408 3.960 0.012 0.000 0.331 692 G HA3 0.441 4.408 3.960 0.012 0.000 0.331 692 G C -1.133 173.807 174.900 0.068 0.000 1.324 692 G CA -0.176 44.976 45.100 0.087 0.000 0.984 692 G HN 1.167 nan 8.290 nan 0.000 0.586 693 Q N -0.402 119.463 119.800 0.109 0.000 2.293 693 Q HA 0.740 5.087 4.340 0.012 0.000 0.261 693 Q C -0.569 175.503 176.000 0.120 0.000 0.960 693 Q CA -0.642 55.183 55.803 0.036 0.000 0.882 693 Q CB 1.501 30.208 28.738 -0.051 0.000 1.275 693 Q HN 0.617 nan 8.270 nan 0.000 0.445 694 L N 4.865 126.081 121.223 -0.013 0.000 2.265 694 L HA 0.471 4.819 4.340 0.012 0.000 0.288 694 L C -1.156 175.710 176.870 -0.007 0.000 1.058 694 L CA -0.354 54.521 54.840 0.058 0.000 0.809 694 L CB 0.536 42.599 42.059 0.007 0.000 1.179 694 L HN 0.750 nan 8.230 nan 0.000 0.429 695 W N 5.028 126.378 121.300 0.083 0.000 2.702 695 W HA 0.474 5.141 4.660 0.012 0.000 0.331 695 W C -0.736 175.882 176.519 0.165 0.000 1.049 695 W CA -0.550 56.866 57.345 0.120 0.000 1.230 695 W CB 1.774 31.320 29.460 0.143 0.000 1.408 695 W HN 0.157 nan 8.180 nan 0.000 0.492 696 L N 3.142 124.647 121.223 0.470 0.000 2.307 696 L HA 0.782 5.129 4.340 0.012 0.000 0.284 696 L C -0.368 176.807 176.870 0.508 0.000 1.023 696 L CA 0.208 55.309 54.840 0.436 0.000 0.810 696 L CB 1.375 43.647 42.059 0.356 0.000 1.231 696 L HN 0.316 nan 8.230 nan 0.000 0.423 697 T N 5.104 119.901 114.554 0.405 0.000 2.824 697 T HA 0.652 5.009 4.350 0.012 0.000 0.282 697 T C -0.727 174.165 174.700 0.320 0.000 0.993 697 T CA -0.404 61.891 62.100 0.325 0.000 0.967 697 T CB 1.531 70.524 68.868 0.208 0.000 0.960 697 T HN 0.644 nan 8.240 nan 0.000 0.441 698 V N 1.755 121.826 119.914 0.263 0.000 2.769 698 V HA 0.871 4.999 4.120 0.012 0.000 0.312 698 V C -0.815 175.361 176.094 0.136 0.000 1.061 698 V CA -1.147 61.279 62.300 0.209 0.000 0.931 698 V CB 1.920 33.829 31.823 0.143 0.000 1.010 698 V HN 0.817 nan 8.190 nan 0.000 0.433 699 R N 2.270 122.870 120.500 0.166 0.000 2.673 699 R HA 0.778 5.126 4.340 0.012 0.000 0.281 699 R C -1.574 174.799 176.300 0.121 0.000 0.991 699 R CA -0.714 55.495 56.100 0.181 0.000 0.896 699 R CB 2.680 33.061 30.300 0.136 0.000 1.201 699 R HN 0.701 nan 8.270 nan 0.000 0.457 700 V N 3.400 123.411 119.914 0.162 0.000 2.407 700 V HA 0.398 4.525 4.120 0.012 0.000 0.278 700 V C -0.343 175.757 176.094 0.009 0.000 1.037 700 V CA -0.553 61.787 62.300 0.067 0.000 0.900 700 V CB 1.620 33.489 31.823 0.076 0.000 0.983 700 V HN 0.432 nan 8.190 nan 0.000 0.459 701 V N 5.139 124.983 119.914 -0.116 0.000 2.604 701 V HA 0.418 4.546 4.120 0.012 0.000 0.305 701 V C -0.344 175.720 176.094 -0.050 0.000 1.043 701 V CA -0.783 61.432 62.300 -0.143 0.000 0.888 701 V CB 2.047 33.610 31.823 -0.433 0.000 0.995 701 V HN 0.902 nan 8.190 nan 0.000 0.429 702 Q N 5.621 125.438 119.800 0.028 0.000 2.398 702 Q HA 0.282 4.629 4.340 0.012 0.000 0.251 702 Q C -1.760 174.248 176.000 0.012 0.000 0.999 702 Q CA -1.789 54.042 55.803 0.046 0.000 0.874 702 Q CB 1.900 30.692 28.738 0.090 0.000 1.215 702 Q HN 0.476 nan 8.270 nan 0.000 0.470 703 P HA -0.171 nan 4.420 nan 0.000 0.217 703 P C -0.497 176.801 177.300 -0.004 0.000 1.151 703 P CA 1.091 64.196 63.100 0.009 0.000 0.828 703 P CB 0.353 32.065 31.700 0.021 0.000 0.788 704 N N -0.424 118.265 118.700 -0.018 0.000 2.473 704 N HA 0.431 5.178 4.740 0.012 0.000 0.291 704 N C -0.175 175.283 175.510 -0.086 0.000 1.083 704 N CA -0.666 52.360 53.050 -0.040 0.000 0.951 704 N CB 1.071 39.537 38.487 -0.036 0.000 1.164 704 N HN -0.015 nan 8.380 nan 0.000 0.480 705 A N 0.891 123.654 122.820 -0.095 0.000 2.346 705 A HA 0.494 4.821 4.320 0.012 0.000 0.252 705 A C 0.584 178.039 177.584 -0.214 0.000 1.089 705 A CA -0.093 51.850 52.037 -0.157 0.000 0.797 705 A CB 0.119 19.052 19.000 -0.112 0.000 1.047 705 A HN 0.706 nan 8.150 nan 0.000 0.494 706 T N -3.466 110.875 114.554 -0.355 0.000 2.693 706 T HA 0.626 4.983 4.350 0.012 0.000 0.278 706 T C 0.929 175.450 174.700 -0.298 0.000 0.994 706 T CA 0.060 61.925 62.100 -0.392 0.000 1.033 706 T CB 1.059 69.428 68.868 -0.832 0.000 1.342 706 T HN 1.341 nan 8.240 nan 0.000 0.538 707 A N -0.163 122.556 122.820 -0.168 0.000 2.119 707 A HA 0.131 4.459 4.320 0.012 0.000 0.217 707 A C 1.551 179.241 177.584 0.175 0.000 1.153 707 A CA 0.879 52.931 52.037 0.025 0.000 0.692 707 A CB -0.824 18.213 19.000 0.063 0.000 0.799 707 A HN 0.900 nan 8.150 nan 0.000 0.458 708 W N -0.637 120.730 121.300 0.111 0.000 2.702 708 W HA 0.445 5.113 4.660 0.013 0.000 0.369 708 W C -0.270 176.230 176.519 -0.031 0.000 0.987 708 W CA 0.401 57.798 57.345 0.086 0.000 1.702 708 W CB -1.172 28.333 29.460 0.075 0.000 1.138 708 W HN 0.399 nan 8.180 nan 0.000 0.552 709 S N -0.305 115.038 115.700 -0.595 0.000 2.565 709 S HA 0.437 4.915 4.470 0.012 0.000 0.269 709 S C -1.084 173.305 174.600 -0.352 0.000 1.153 709 S CA -0.761 57.104 58.200 -0.558 0.000 0.835 709 S CB 2.687 65.199 63.200 -1.147 0.000 1.122 709 S HN 0.107 nan 8.310 nan 0.000 0.462 710 E N 0.547 120.649 120.200 -0.164 0.000 2.318 710 E HA 0.601 4.959 4.350 0.012 0.000 0.265 710 E C 0.277 176.847 176.600 -0.049 0.000 1.069 710 E CA -0.816 55.540 56.400 -0.074 0.000 0.893 710 E CB 1.327 31.027 29.700 -0.000 0.000 1.076 710 E HN 0.872 nan 8.360 nan 0.000 0.414 711 A N 0.822 123.620 122.820 -0.038 0.000 2.531 711 A HA 0.370 4.698 4.320 0.012 0.000 0.236 711 A C 1.147 178.743 177.584 0.021 0.000 1.062 711 A CA 0.812 52.838 52.037 -0.018 0.000 0.760 711 A CB -0.428 18.564 19.000 -0.013 0.000 0.995 711 A HN 0.827 nan 8.150 nan 0.000 0.501 712 G N 0.354 109.173 108.800 0.031 0.000 2.176 712 G HA2 -0.254 3.713 3.960 0.012 0.000 0.253 712 G HA3 -0.254 3.713 3.960 0.012 0.000 0.253 712 G C 0.258 175.194 174.900 0.061 0.000 0.979 712 G CA 0.739 45.863 45.100 0.040 0.000 0.641 712 G HN 1.818 nan 8.290 nan 0.000 0.530 713 H N 0.664 119.731 119.070 -0.004 0.000 3.064 713 H HA 0.400 4.963 4.556 0.012 0.000 0.329 713 H C 0.755 176.134 175.328 0.085 0.000 1.020 713 H CA 0.414 56.487 56.048 0.041 0.000 1.402 713 H CB 0.168 29.938 29.762 0.014 0.000 1.379 713 H HN 0.306 nan 8.280 nan 0.000 0.594 714 I N 4.767 125.077 120.570 -0.434 0.000 2.325 714 I HA 0.023 4.200 4.170 0.012 0.000 0.291 714 I C 0.860 176.810 176.117 -0.278 0.000 1.019 714 I CA 0.098 61.262 61.300 -0.226 0.000 1.302 714 I CB 1.375 39.322 38.000 -0.088 0.000 1.401 714 I HN 0.787 nan 8.210 nan 0.000 0.485 715 S N 4.193 119.944 115.700 0.085 0.000 2.512 715 S HA 0.555 5.032 4.470 0.012 0.000 0.216 715 S C 0.423 175.266 174.600 0.405 0.000 1.006 715 S CA -0.123 58.276 58.200 0.332 0.000 0.915 715 S CB 0.596 64.116 63.200 0.534 0.000 0.824 715 S HN 0.689 nan 8.310 nan 0.000 0.497 716 A N 0.611 123.688 122.820 0.428 0.000 2.605 716 A HA 0.675 5.002 4.320 0.012 0.000 0.294 716 A C -1.808 176.095 177.584 0.532 0.000 1.062 716 A CA -0.955 51.321 52.037 0.398 0.000 0.682 716 A CB 0.477 19.766 19.000 0.483 0.000 1.278 716 A HN 0.883 nan 8.150 nan 0.000 0.410 717 W N 0.009 121.464 121.300 0.259 0.000 3.066 717 W HA 0.808 5.476 4.660 0.013 0.000 0.330 717 W C -1.158 175.395 176.519 0.057 0.000 1.253 717 W CA -0.631 56.766 57.345 0.086 0.000 1.187 717 W CB 1.222 30.705 29.460 0.039 0.000 1.434 717 W HN 1.028 nan 8.180 nan 0.000 0.572 718 Q N 1.029 120.859 119.800 0.051 0.000 2.527 718 Q HA 0.447 4.794 4.340 0.012 0.000 0.280 718 Q C -1.661 174.167 176.000 -0.287 0.000 0.977 718 Q CA -0.451 55.219 55.803 -0.221 0.000 0.837 718 Q CB 2.399 30.800 28.738 -0.562 0.000 1.454 718 Q HN 0.628 nan 8.270 nan 0.000 0.387 719 Q N 1.299 120.873 119.800 -0.376 0.000 2.451 719 Q HA 0.639 4.986 4.340 0.012 0.000 0.281 719 Q C -1.230 174.639 176.000 -0.218 0.000 1.099 719 Q CA -0.708 55.061 55.803 -0.056 0.000 0.806 719 Q CB 2.400 31.303 28.738 0.276 0.000 1.419 719 Q HN 0.617 nan 8.270 nan 0.000 0.427 720 W N 1.005 122.484 121.300 0.298 0.000 3.138 720 W HA 0.420 5.088 4.660 0.012 0.000 0.331 720 W C -0.436 175.998 176.519 -0.142 0.000 1.166 720 W CA -0.699 56.702 57.345 0.093 0.000 1.212 720 W CB 1.683 31.160 29.460 0.027 0.000 1.399 720 W HN 0.399 nan 8.180 nan 0.000 0.514 721 R N 2.374 122.671 120.500 -0.339 0.000 2.296 721 R HA 0.281 4.628 4.340 0.012 0.000 0.323 721 R C 0.697 176.804 176.300 -0.322 0.000 1.067 721 R CA -0.047 55.544 56.100 -0.848 0.000 0.946 721 R CB 0.788 30.602 30.300 -0.809 0.000 0.991 721 R HN 0.341 nan 8.270 nan 0.000 0.448 722 L N 1.846 122.925 121.223 -0.241 0.000 2.606 722 L HA 0.341 4.689 4.340 0.012 0.000 0.147 722 L C 0.954 177.736 176.870 -0.146 0.000 1.620 722 L CA -0.395 54.371 54.840 -0.124 0.000 3.110 722 L CB -0.318 41.708 42.059 -0.055 0.000 3.027 722 L HN 0.570 nan 8.230 nan 0.000 0.899 723 A N 0.056 122.817 122.820 -0.099 0.000 2.366 723 A HA 0.243 4.570 4.320 0.012 0.000 0.249 723 A C -0.312 177.212 177.584 -0.101 0.000 1.084 723 A CA 0.036 52.021 52.037 -0.087 0.000 0.794 723 A CB 0.338 19.308 19.000 -0.050 0.000 1.034 723 A HN 0.570 nan 8.150 nan 0.000 0.491 724 E N 0.782 120.932 120.200 -0.083 0.000 2.234 724 E HA 0.294 4.652 4.350 0.012 0.000 0.266 724 E C -1.430 175.153 176.600 -0.028 0.000 0.877 724 E CA -0.717 55.642 56.400 -0.068 0.000 0.758 724 E CB 0.866 30.517 29.700 -0.083 0.000 1.170 724 E HN 0.686 nan 8.360 nan 0.000 0.415 725 N N 5.285 123.982 118.700 -0.005 0.000 2.558 725 N HA 0.259 5.007 4.740 0.012 0.000 0.242 725 N C -0.454 175.067 175.510 0.019 0.000 0.979 725 N CA -0.315 52.739 53.050 0.008 0.000 0.931 725 N CB 1.107 39.604 38.487 0.016 0.000 1.122 725 N HN 0.460 nan 8.380 nan 0.000 0.508 726 L N 0.699 121.932 121.223 0.017 0.000 2.456 726 L HA 0.109 4.457 4.340 0.012 0.000 0.272 726 L C 1.295 178.185 176.870 0.033 0.000 1.189 726 L CA 0.058 54.915 54.840 0.028 0.000 0.846 726 L CB 0.506 42.580 42.059 0.025 0.000 1.111 726 L HN 0.364 nan 8.230 nan 0.000 0.475 727 S N 1.239 116.965 115.700 0.043 0.000 2.505 727 S HA 0.224 4.701 4.470 0.012 0.000 0.276 727 S C 0.630 175.253 174.600 0.038 0.000 1.274 727 S CA -0.705 57.521 58.200 0.043 0.000 1.053 727 S CB 0.896 64.128 63.200 0.053 0.000 0.919 727 S HN 0.479 nan 8.310 nan 0.000 0.490 728 V N 2.309 122.243 119.914 0.033 0.000 3.477 728 V HA 0.310 4.438 4.120 0.012 0.000 0.297 728 V C 0.645 176.756 176.094 0.028 0.000 1.433 728 V CA 0.235 62.552 62.300 0.028 0.000 1.052 728 V CB -0.603 31.233 31.823 0.023 0.000 0.895 728 V HN 0.838 nan 8.190 nan 0.000 0.438 729 T N 1.622 116.194 114.554 0.030 0.000 2.817 729 T HA 0.567 4.925 4.350 0.012 0.000 0.295 729 T C -0.146 174.572 174.700 0.030 0.000 0.958 729 T CA -0.193 61.924 62.100 0.029 0.000 1.157 729 T CB 0.678 69.564 68.868 0.030 0.000 0.898 729 T HN 0.323 nan 8.240 nan 0.000 0.536 730 L N 5.119 126.357 121.223 0.025 0.000 2.397 730 L HA 0.382 4.729 4.340 0.012 0.000 0.271 730 L C -1.288 175.596 176.870 0.024 0.000 1.148 730 L CA -1.666 53.188 54.840 0.023 0.000 0.825 730 L CB -0.255 41.814 42.059 0.017 0.000 1.117 730 L HN 0.580 nan 8.230 nan 0.000 0.456 731 P HA 0.299 nan 4.420 nan 0.000 0.276 731 P C -1.093 176.214 177.300 0.012 0.000 1.252 731 P CA -0.671 62.443 63.100 0.024 0.000 0.802 731 P CB 0.746 32.461 31.700 0.025 0.000 1.035 732 A N 0.963 123.790 122.820 0.012 0.000 2.366 732 A HA 0.546 4.873 4.320 0.012 0.000 0.272 732 A C 0.500 178.046 177.584 -0.064 0.000 1.135 732 A CA -0.370 51.666 52.037 -0.002 0.000 0.804 732 A CB -0.317 18.707 19.000 0.039 0.000 1.064 732 A HN 0.670 nan 8.150 nan 0.000 0.499 733 A N 2.751 125.524 122.820 -0.078 0.000 2.567 733 A HA 0.441 4.768 4.320 0.012 0.000 0.240 733 A C 1.021 178.407 177.584 -0.329 0.000 1.053 733 A CA 0.605 52.563 52.037 -0.132 0.000 0.755 733 A CB -0.410 18.541 19.000 -0.082 0.000 0.978 733 A HN 1.947 nan 8.150 nan 0.000 0.507 734 S N 1.961 117.469 115.700 -0.321 0.000 2.580 734 S HA 0.316 4.793 4.470 0.012 0.000 0.274 734 S C 0.103 174.431 174.600 -0.454 0.000 1.329 734 S CA -0.314 57.590 58.200 -0.493 0.000 1.036 734 S CB 0.152 63.235 63.200 -0.196 0.000 0.919 734 S HN 0.705 nan 8.310 nan 0.000 0.515 735 H N 1.568 120.651 119.070 0.023 0.000 2.727 735 H HA 0.707 5.271 4.556 0.012 0.000 0.312 735 H C 0.341 175.682 175.328 0.022 0.000 1.204 735 H CA 0.282 56.342 56.048 0.020 0.000 1.122 735 H CB -0.641 29.131 29.762 0.016 0.000 1.453 735 H HN 0.894 nan 8.280 nan 0.000 0.514 736 A N 1.080 123.924 122.820 0.040 0.000 2.549 736 A HA 0.509 4.836 4.320 0.012 0.000 0.291 736 A C -1.881 175.725 177.584 0.037 0.000 1.034 736 A CA -0.768 51.300 52.037 0.052 0.000 0.655 736 A CB 1.339 20.382 19.000 0.071 0.000 1.299 736 A HN 0.216 nan 8.150 nan 0.000 0.427 737 I N 1.006 121.615 120.570 0.065 0.000 2.534 737 I HA 0.648 4.825 4.170 0.012 0.000 0.288 737 I C -3.044 173.152 176.117 0.131 0.000 1.077 737 I CA -2.302 59.042 61.300 0.073 0.000 1.051 737 I CB 1.800 39.831 38.000 0.052 0.000 1.234 737 I HN 0.358 nan 8.210 nan 0.000 0.425 738 P HA 0.295 nan 4.420 nan 0.000 0.272 738 P C -1.061 176.374 177.300 0.224 0.000 1.223 738 P CA 0.231 63.412 63.100 0.136 0.000 0.784 738 P CB 0.369 32.093 31.700 0.040 0.000 0.923 739 H N 0.722 119.816 119.070 0.041 0.000 2.472 739 H HA 0.421 4.985 4.556 0.012 0.000 0.338 739 H C -0.623 174.730 175.328 0.042 0.000 1.133 739 H CA -0.909 55.157 56.048 0.030 0.000 1.216 739 H CB 1.716 31.499 29.762 0.034 0.000 1.497 739 H HN 0.257 nan 8.280 nan 0.000 0.500 740 L N 2.439 123.700 121.223 0.064 0.000 2.317 740 L HA 0.371 4.718 4.340 0.012 0.000 0.281 740 L C -0.564 176.350 176.870 0.073 0.000 1.024 740 L CA -0.039 54.836 54.840 0.058 0.000 0.810 740 L CB 1.862 43.903 42.059 -0.031 0.000 1.240 740 L HN 0.492 nan 8.230 nan 0.000 0.427 741 T N 3.277 117.906 114.554 0.124 0.000 2.848 741 T HA 0.650 5.007 4.350 0.012 0.000 0.285 741 T C -0.722 174.077 174.700 0.166 0.000 0.995 741 T CA -0.342 61.827 62.100 0.116 0.000 0.970 741 T CB 1.456 70.385 68.868 0.102 0.000 0.976 741 T HN 0.743 nan 8.240 nan 0.000 0.441 742 T N 2.330 116.975 114.554 0.151 0.000 2.908 742 T HA 0.820 5.178 4.350 0.012 0.000 0.290 742 T C -0.487 174.259 174.700 0.076 0.000 1.034 742 T CA -0.770 61.440 62.100 0.184 0.000 1.010 742 T CB 1.620 70.627 68.868 0.233 0.000 1.068 742 T HN 0.729 nan 8.240 nan 0.000 0.481 743 S N 0.156 115.863 115.700 0.012 0.000 2.671 743 S HA 0.465 4.942 4.470 0.012 0.000 0.277 743 S C 0.794 175.345 174.600 -0.082 0.000 1.165 743 S CA -0.868 57.319 58.200 -0.020 0.000 0.822 743 S CB 1.723 64.915 63.200 -0.012 0.000 1.150 743 S HN 0.731 nan 8.310 nan 0.000 0.479 744 E N -0.369 119.793 120.200 -0.065 0.000 2.118 744 E HA -0.144 4.214 4.350 0.012 0.000 0.195 744 E C 1.170 177.689 176.600 -0.135 0.000 0.992 744 E CA 1.415 57.763 56.400 -0.087 0.000 0.804 744 E CB -0.122 29.547 29.700 -0.051 0.000 0.741 744 E HN 0.584 nan 8.360 nan 0.000 0.458 745 M N 0.340 119.876 119.600 -0.107 0.000 2.510 745 M HA 0.141 4.628 4.480 0.012 0.000 0.256 745 M C -0.105 176.117 176.300 -0.130 0.000 1.132 745 M CA 0.684 55.925 55.300 -0.098 0.000 1.105 745 M CB 0.206 32.782 32.600 -0.039 0.000 1.375 745 M HN -0.092 nan 8.290 nan 0.000 0.477 746 D N -1.211 119.092 120.400 -0.162 0.000 2.609 746 D HA 0.391 5.038 4.640 0.012 0.000 0.239 746 D C -1.498 174.712 176.300 -0.150 0.000 1.229 746 D CA -0.353 53.571 54.000 -0.127 0.000 0.808 746 D CB 2.237 43.054 40.800 0.028 0.000 1.448 746 D HN -0.079 nan 8.370 nan 0.000 0.433 747 F N 0.927 120.966 119.950 0.148 0.000 2.426 747 F HA 0.379 4.914 4.527 0.012 0.000 0.348 747 F C 0.077 176.016 175.800 0.231 0.000 1.124 747 F CA -0.739 57.345 58.000 0.141 0.000 1.008 747 F CB 1.256 40.299 39.000 0.071 0.000 1.139 747 F HN 0.058 nan 8.300 nan 0.000 0.452 748 C N 4.913 124.427 119.300 0.357 0.000 2.379 748 C HA 0.744 5.212 4.460 0.012 0.000 0.323 748 C C -0.136 175.026 174.990 0.286 0.000 1.262 748 C CA -0.976 58.226 59.018 0.306 0.000 1.581 748 C CB 0.536 28.384 27.740 0.180 0.000 2.221 748 C HN 0.597 nan 8.230 nan 0.000 0.497 749 I N 2.290 123.081 120.570 0.368 0.000 2.509 749 I HA 0.519 4.696 4.170 0.012 0.000 0.293 749 I C -0.158 176.217 176.117 0.431 0.000 1.020 749 I CA -0.080 61.426 61.300 0.343 0.000 1.088 749 I CB 1.537 39.718 38.000 0.302 0.000 1.267 749 I HN 0.688 nan 8.210 nan 0.000 0.430 750 E N 5.714 126.104 120.200 0.317 0.000 2.293 750 E HA 0.739 5.097 4.350 0.012 0.000 0.270 750 E C -1.881 174.873 176.600 0.256 0.000 0.879 750 E CA -0.820 55.741 56.400 0.269 0.000 0.756 750 E CB 2.394 32.153 29.700 0.098 0.000 1.208 750 E HN 0.532 nan 8.360 nan 0.000 0.428 751 L N 4.823 126.216 121.223 0.283 0.000 2.541 751 L HA 0.545 4.893 4.340 0.012 0.000 0.266 751 L C 0.158 177.106 176.870 0.129 0.000 0.966 751 L CA 0.613 55.582 54.840 0.215 0.000 0.871 751 L CB 1.305 43.540 42.059 0.294 0.000 1.232 751 L HN 0.822 nan 8.230 nan 0.000 0.408 752 G N 4.237 113.068 108.800 0.052 0.000 2.611 752 G HA2 -0.424 3.544 3.960 0.012 0.000 0.301 752 G HA3 -0.424 3.544 3.960 0.012 0.000 0.301 752 G C 0.499 175.397 174.900 -0.004 0.000 1.233 752 G CA 0.593 45.707 45.100 0.023 0.000 0.993 752 G HN 1.191 nan 8.290 nan 0.000 0.553 753 N N 1.367 120.059 118.700 -0.013 0.000 2.434 753 N HA 0.112 4.860 4.740 0.012 0.000 0.196 753 N C 0.383 175.845 175.510 -0.079 0.000 1.183 753 N CA 0.850 53.873 53.050 -0.045 0.000 0.849 753 N CB 0.202 38.665 38.487 -0.041 0.000 0.992 753 N HN 0.737 nan 8.380 nan 0.000 0.460 754 K N 0.313 120.662 120.400 -0.085 0.000 2.203 754 K HA 0.514 4.841 4.320 0.012 0.000 0.251 754 K C -0.347 176.086 176.600 -0.278 0.000 0.944 754 K CA -0.619 55.502 56.287 -0.277 0.000 0.829 754 K CB 2.122 34.389 32.500 -0.389 0.000 1.125 754 K HN -0.019 nan 8.250 nan 0.000 0.430 755 R N 1.262 121.499 120.500 -0.438 0.000 2.725 755 R HA 0.446 4.793 4.340 0.012 0.000 0.277 755 R C -1.207 174.991 176.300 -0.170 0.000 0.987 755 R CA -0.883 55.142 56.100 -0.126 0.000 0.901 755 R CB 1.884 32.131 30.300 -0.089 0.000 1.207 755 R HN 0.546 nan 8.270 nan 0.000 0.463 756 W N 1.758 123.181 121.300 0.205 0.000 2.915 756 W HA 0.356 5.023 4.660 0.012 0.000 0.337 756 W C -0.580 176.047 176.519 0.181 0.000 1.102 756 W CA -0.583 56.836 57.345 0.123 0.000 1.224 756 W CB 2.371 31.887 29.460 0.093 0.000 1.416 756 W HN 0.408 nan 8.180 nan 0.000 0.503 757 Q N 2.388 122.328 119.800 0.233 0.000 2.310 757 Q HA 0.460 4.808 4.340 0.012 0.000 0.270 757 Q C -1.982 173.991 176.000 -0.045 0.000 1.025 757 Q CA -0.445 55.497 55.803 0.231 0.000 0.772 757 Q CB 1.513 30.453 28.738 0.337 0.000 1.253 757 Q HN 0.339 nan 8.270 nan 0.000 0.450 758 F N 2.563 122.608 119.950 0.158 0.000 2.444 758 F HA 0.346 4.880 4.527 0.012 0.000 0.342 758 F C 0.499 176.335 175.800 0.060 0.000 1.121 758 F CA -0.870 57.189 58.000 0.098 0.000 0.997 758 F CB 1.457 40.525 39.000 0.114 0.000 1.130 758 F HN 0.505 nan 8.300 nan 0.000 0.454 759 N N 3.493 122.300 118.700 0.177 0.000 2.442 759 N HA 0.086 4.834 4.740 0.012 0.000 0.265 759 N C 0.832 176.364 175.510 0.037 0.000 1.138 759 N CA 0.018 53.123 53.050 0.091 0.000 0.956 759 N CB 0.781 39.328 38.487 0.099 0.000 1.067 759 N HN 0.697 nan 8.380 nan 0.000 0.474 760 R N 2.270 122.719 120.500 -0.085 0.000 2.276 760 R HA -0.062 4.285 4.340 0.012 0.000 0.203 760 R C 1.618 177.860 176.300 -0.097 0.000 1.017 760 R CA 0.628 56.630 56.100 -0.164 0.000 1.010 760 R CB 0.201 30.281 30.300 -0.365 0.000 0.900 760 R HN 0.680 nan 8.270 nan 0.000 0.469 761 Q N 0.502 120.272 119.800 -0.049 0.000 2.204 761 Q HA -0.056 4.292 4.340 0.012 0.000 0.198 761 Q C 1.831 177.824 176.000 -0.012 0.000 0.946 761 Q CA 1.405 57.190 55.803 -0.030 0.000 0.859 761 Q CB 0.329 29.066 28.738 -0.003 0.000 0.946 761 Q HN 0.300 nan 8.270 nan 0.000 0.474 762 S N -1.730 113.986 115.700 0.027 0.000 2.456 762 S HA 0.194 4.671 4.470 0.012 0.000 0.224 762 S C 1.438 175.967 174.600 -0.118 0.000 1.035 762 S CA 0.711 58.946 58.200 0.059 0.000 0.940 762 S CB 0.463 63.813 63.200 0.249 0.000 0.799 762 S HN 0.617 nan 8.310 nan 0.000 0.508 763 G N 0.357 109.104 108.800 -0.088 0.000 2.141 763 G HA2 -0.204 3.764 3.960 0.012 0.000 0.242 763 G HA3 -0.204 3.764 3.960 0.012 0.000 0.242 763 G C -0.087 174.730 174.900 -0.138 0.000 0.982 763 G CA 0.200 45.215 45.100 -0.142 0.000 0.662 763 G HN 0.534 nan 8.290 nan 0.000 0.527 764 F N -1.072 119.062 119.950 0.306 0.000 2.556 764 F HA 0.682 5.216 4.527 0.012 0.000 0.327 764 F C 0.510 176.348 175.800 0.063 0.000 1.059 764 F CA -1.492 56.651 58.000 0.238 0.000 0.953 764 F CB 1.461 40.553 39.000 0.153 0.000 1.227 764 F HN 0.031 nan 8.300 nan 0.000 0.478 765 L N 1.891 123.168 121.223 0.090 0.000 2.530 765 L HA 0.157 4.504 4.340 0.012 0.000 0.273 765 L C 0.921 177.691 176.870 -0.166 0.000 1.141 765 L CA 0.487 55.043 54.840 -0.474 0.000 0.905 765 L CB 0.491 42.201 42.059 -0.582 0.000 1.202 765 L HN 0.707 nan 8.230 nan 0.000 0.473 766 S N 2.490 118.087 115.700 -0.171 0.000 2.492 766 S HA 0.253 4.730 4.470 0.012 0.000 0.218 766 S C 0.582 175.062 174.600 -0.199 0.000 1.016 766 S CA -0.052 58.090 58.200 -0.096 0.000 0.916 766 S CB 0.083 63.276 63.200 -0.012 0.000 0.791 766 S HN 0.685 nan 8.310 nan 0.000 0.513 767 Q N -0.207 119.417 119.800 -0.294 0.000 2.472 767 Q HA 0.682 5.029 4.340 0.012 0.000 0.281 767 Q C -2.034 173.622 176.000 -0.573 0.000 0.997 767 Q CA -0.296 55.190 55.803 -0.528 0.000 0.828 767 Q CB 1.774 30.040 28.738 -0.787 0.000 1.443 767 Q HN 0.421 nan 8.270 nan 0.000 0.390 768 M N 1.572 120.721 119.600 -0.752 0.000 2.433 768 M HA 0.550 5.037 4.480 0.012 0.000 0.290 768 M C -1.525 174.413 176.300 -0.605 0.000 1.173 768 M CA -0.410 54.543 55.300 -0.580 0.000 0.905 768 M CB 2.190 34.414 32.600 -0.627 0.000 1.692 768 M HN 0.479 nan 8.290 nan 0.000 0.462 769 W N 3.603 124.665 121.300 -0.396 0.000 2.736 769 W HA 0.621 5.288 4.660 0.013 0.000 0.335 769 W C -1.209 175.112 176.519 -0.329 0.000 1.059 769 W CA -0.666 56.509 57.345 -0.285 0.000 1.226 769 W CB 1.652 30.981 29.460 -0.218 0.000 1.416 769 W HN 0.482 nan 8.180 nan 0.000 0.505 770 I N 3.211 123.766 120.570 -0.025 0.000 2.405 770 I HA 0.399 4.576 4.170 0.012 0.000 0.280 770 I C 0.802 176.905 176.117 -0.024 0.000 1.027 770 I CA 0.285 61.535 61.300 -0.084 0.000 1.161 770 I CB 0.886 38.814 38.000 -0.121 0.000 1.300 770 I HN 0.737 nan 8.210 nan 0.000 0.463 771 G N 5.537 114.322 108.800 -0.025 0.000 2.523 771 G HA2 -0.254 3.714 3.960 0.012 0.000 0.271 771 G HA3 -0.254 3.714 3.960 0.012 0.000 0.271 771 G C 0.296 175.213 174.900 0.029 0.000 1.146 771 G CA 0.262 45.353 45.100 -0.015 0.000 0.961 771 G HN 0.556 nan 8.290 nan 0.000 0.549 772 D N 1.068 121.494 120.400 0.043 0.000 2.369 772 D HA 0.200 4.848 4.640 0.012 0.000 0.211 772 D C 0.838 177.268 176.300 0.217 0.000 1.077 772 D CA 0.287 54.341 54.000 0.090 0.000 0.842 772 D CB 0.636 41.447 40.800 0.018 0.000 0.947 772 D HN 0.210 nan 8.370 nan 0.000 0.509 773 K N 1.583 122.066 120.400 0.139 0.000 2.248 773 K HA 0.182 4.510 4.320 0.012 0.000 0.281 773 K C -0.043 176.531 176.600 -0.044 0.000 1.054 773 K CA -0.332 55.992 56.287 0.063 0.000 0.903 773 K CB 0.980 33.474 32.500 -0.010 0.000 1.077 773 K HN -0.237 nan 8.250 nan 0.000 0.474 774 K N 2.493 122.778 120.400 -0.191 0.000 2.436 774 K HA -0.005 4.323 4.320 0.012 0.000 0.275 774 K C 0.699 177.100 176.600 -0.332 0.000 0.999 774 K CA -0.016 55.940 56.287 -0.551 0.000 0.980 774 K CB 0.684 32.891 32.500 -0.489 0.000 0.919 774 K HN 0.483 nan 8.250 nan 0.000 0.484 775 Q N 1.339 120.924 119.800 -0.358 0.000 2.350 775 Q HA 0.192 4.539 4.340 0.012 0.000 0.225 775 Q C 0.042 175.974 176.000 -0.113 0.000 0.878 775 Q CA 0.492 56.216 55.803 -0.131 0.000 0.935 775 Q CB 0.527 29.236 28.738 -0.048 0.000 1.099 775 Q HN 0.496 nan 8.270 nan 0.000 0.527 776 L N 0.452 121.538 121.223 -0.228 0.000 2.354 776 L HA 0.397 4.745 4.340 0.012 0.000 0.269 776 L C 0.903 177.641 176.870 -0.219 0.000 1.005 776 L CA -0.389 54.334 54.840 -0.195 0.000 0.819 776 L CB 1.765 43.698 42.059 -0.209 0.000 1.311 776 L HN -0.085 nan 8.230 nan 0.000 0.423 777 L N 0.500 121.588 121.223 -0.226 0.000 2.470 777 L HA 0.171 4.518 4.340 0.012 0.000 0.219 777 L C 0.642 177.394 176.870 -0.197 0.000 1.071 777 L CA 0.477 55.187 54.840 -0.216 0.000 0.850 777 L CB 0.575 42.484 42.059 -0.249 0.000 1.040 777 L HN 0.770 nan 8.230 nan 0.000 0.475 778 T N -3.118 111.298 114.554 -0.230 0.000 2.903 778 T HA 0.556 4.914 4.350 0.012 0.000 0.299 778 T C -2.860 171.769 174.700 -0.119 0.000 1.093 778 T CA -2.037 59.976 62.100 -0.145 0.000 1.002 778 T CB 2.328 71.134 68.868 -0.103 0.000 1.127 778 T HN -0.311 nan 8.240 nan 0.000 0.488 779 P HA 0.304 nan 4.420 nan 0.000 0.273 779 P C -0.653 176.607 177.300 -0.067 0.000 1.250 779 P CA -0.796 62.269 63.100 -0.057 0.000 0.793 779 P CB 0.307 32.008 31.700 0.001 0.000 1.011 780 L N 2.187 123.404 121.223 -0.011 0.000 2.315 780 L HA 0.295 4.642 4.340 0.012 0.000 0.283 780 L C 0.123 176.935 176.870 -0.097 0.000 1.089 780 L CA 0.544 55.407 54.840 0.040 0.000 0.833 780 L CB -0.586 41.602 42.059 0.214 0.000 1.170 780 L HN 0.284 nan 8.230 nan 0.000 0.442 781 R N 2.744 123.092 120.500 -0.254 0.000 2.837 781 R HA 0.453 4.800 4.340 0.012 0.000 0.271 781 R C -1.019 175.123 176.300 -0.263 0.000 0.993 781 R CA -1.061 54.702 56.100 -0.562 0.000 0.931 781 R CB 1.312 31.160 30.300 -0.753 0.000 1.206 781 R HN 0.555 nan 8.270 nan 0.000 0.474 782 D N 1.137 121.436 120.400 -0.167 0.000 2.382 782 D HA 0.050 4.697 4.640 0.012 0.000 0.240 782 D C -0.431 175.468 176.300 -0.669 0.000 1.146 782 D CA 0.396 54.168 54.000 -0.380 0.000 0.897 782 D CB 0.670 41.189 40.800 -0.469 0.000 1.197 782 D HN 0.202 nan 8.370 nan 0.000 0.432 783 Q N 1.130 120.333 119.800 -0.995 0.000 2.271 783 Q HA 0.326 4.673 4.340 0.012 0.000 0.268 783 Q C -1.324 173.902 176.000 -1.290 0.000 1.021 783 Q CA -0.572 54.690 55.803 -0.903 0.000 0.802 783 Q CB 0.792 29.233 28.738 -0.495 0.000 1.282 783 Q HN 0.574 nan 8.270 nan 0.000 0.431 784 F N 0.889 120.434 119.950 -0.674 0.000 2.688 784 F HA 0.201 4.735 4.527 0.012 0.000 0.310 784 F C 0.564 175.911 175.800 -0.754 0.000 1.098 784 F CA -0.206 57.285 58.000 -0.848 0.000 1.228 784 F CB 1.585 39.745 39.000 -1.400 0.000 1.042 784 F HN 0.441 nan 8.300 nan 0.000 0.557 785 T N -0.854 113.372 114.554 -0.547 0.000 2.916 785 T HA 0.759 5.117 4.350 0.012 0.000 0.292 785 T C -0.555 173.877 174.700 -0.446 0.000 1.064 785 T CA -0.975 60.739 62.100 -0.642 0.000 1.011 785 T CB 2.677 71.099 68.868 -0.743 0.000 1.152 785 T HN 0.250 nan 8.240 nan 0.000 0.510 786 R N 0.106 120.377 120.500 -0.381 0.000 2.795 786 R HA 0.782 5.130 4.340 0.012 0.000 0.275 786 R C -0.688 175.650 176.300 0.062 0.000 0.981 786 R CA -1.240 54.774 56.100 -0.143 0.000 0.917 786 R CB 1.542 31.767 30.300 -0.125 0.000 1.202 786 R HN 0.804 nan 8.270 nan 0.000 0.469 787 A N 3.572 126.419 122.820 0.044 0.000 2.515 787 A HA 0.266 4.593 4.320 0.012 0.000 0.263 787 A C -1.973 175.668 177.584 0.095 0.000 1.096 787 A CA -1.261 50.806 52.037 0.050 0.000 0.769 787 A CB -0.499 18.475 19.000 -0.043 0.000 1.040 787 A HN 0.571 nan 8.150 nan 0.000 0.505 788 P HA 0.130 nan 4.420 nan 0.000 0.265 788 P C -0.241 177.166 177.300 0.177 0.000 1.193 788 P CA 0.307 63.559 63.100 0.254 0.000 0.765 788 P CB 0.461 32.355 31.700 0.323 0.000 0.823 789 L N 2.354 123.651 121.223 0.123 0.000 2.468 789 L HA 0.177 4.525 4.340 0.012 0.000 0.254 789 L C 1.857 178.738 176.870 0.018 0.000 1.171 789 L CA -0.492 54.355 54.840 0.011 0.000 0.809 789 L CB -0.043 41.952 42.059 -0.106 0.000 1.155 789 L HN 0.308 nan 8.230 nan 0.000 0.473 790 D N 0.375 120.727 120.400 -0.082 0.000 2.149 790 D HA -0.158 4.489 4.640 0.012 0.000 0.198 790 D C 1.512 177.731 176.300 -0.135 0.000 0.990 790 D CA 1.420 55.296 54.000 -0.207 0.000 0.839 790 D CB 0.048 40.639 40.800 -0.348 0.000 0.948 790 D HN 0.477 nan 8.370 nan 0.000 0.460 791 N N 0.951 119.589 118.700 -0.104 0.000 2.459 791 N HA -0.089 4.659 4.740 0.012 0.000 0.181 791 N C 1.066 176.588 175.510 0.019 0.000 1.046 791 N CA 0.539 53.559 53.050 -0.050 0.000 0.904 791 N CB -0.023 38.426 38.487 -0.063 0.000 0.964 791 N HN 0.232 nan 8.380 nan 0.000 0.444 792 D N 0.376 120.801 120.400 0.042 0.000 2.194 792 D HA 0.071 4.718 4.640 0.012 0.000 0.204 792 D C 1.953 178.294 176.300 0.068 0.000 0.964 792 D CA 0.396 54.455 54.000 0.097 0.000 0.846 792 D CB 0.230 41.162 40.800 0.220 0.000 0.962 792 D HN 0.301 nan 8.370 nan 0.000 0.490 793 I N 0.223 120.818 120.570 0.043 0.000 2.480 793 I HA 0.059 4.236 4.170 0.012 0.000 0.251 793 I C 1.827 177.961 176.117 0.028 0.000 1.124 793 I CA 0.564 61.877 61.300 0.021 0.000 1.444 793 I CB -0.358 37.624 38.000 -0.030 0.000 1.098 793 I HN 0.038 nan 8.210 nan 0.000 0.428 794 G N 1.560 110.392 108.800 0.052 0.000 2.611 794 G HA2 -0.368 3.600 3.960 0.012 0.000 0.301 794 G HA3 -0.368 3.600 3.960 0.012 0.000 0.301 794 G C 0.819 175.871 174.900 0.253 0.000 1.233 794 G CA 1.055 46.252 45.100 0.162 0.000 0.993 794 G HN 0.499 nan 8.290 nan 0.000 0.553 795 V N -1.609 118.407 119.914 0.171 0.000 3.623 795 V HA 0.512 4.640 4.120 0.012 0.000 0.271 795 V C 1.460 177.569 176.094 0.026 0.000 1.248 795 V CA 1.470 63.815 62.300 0.075 0.000 1.156 795 V CB -0.174 31.595 31.823 -0.091 0.000 0.870 795 V HN 1.268 nan 8.190 nan 0.000 0.453 796 S N 1.106 116.820 115.700 0.023 0.000 2.552 796 S HA 0.235 4.712 4.470 0.012 0.000 0.289 796 S C -0.029 174.572 174.600 0.003 0.000 1.304 796 S CA 0.121 58.319 58.200 -0.003 0.000 1.063 796 S CB 0.073 63.268 63.200 -0.008 0.000 0.848 796 S HN 0.829 nan 8.310 nan 0.000 0.499 797 E N 1.334 121.531 120.200 -0.005 0.000 2.408 797 E HA 0.525 4.883 4.350 0.012 0.000 0.275 797 E C 0.529 177.130 176.600 0.003 0.000 0.935 797 E CA -0.600 55.801 56.400 0.003 0.000 0.775 797 E CB 1.385 31.085 29.700 0.001 0.000 1.277 797 E HN 0.554 nan 8.360 nan 0.000 0.455 798 A N 0.654 123.481 122.820 0.013 0.000 1.908 798 A HA -0.185 4.143 4.320 0.012 0.000 0.218 798 A C 2.039 179.627 177.584 0.007 0.000 1.181 798 A CA 2.462 54.507 52.037 0.013 0.000 0.627 798 A CB -0.894 18.119 19.000 0.022 0.000 0.818 798 A HN 0.650 nan 8.150 nan 0.000 0.445 799 T N -2.018 112.539 114.554 0.005 0.000 3.118 799 T HA 0.015 4.373 4.350 0.012 0.000 0.260 799 T C 0.730 175.423 174.700 -0.012 0.000 1.139 799 T CA 0.871 62.970 62.100 -0.001 0.000 1.085 799 T CB -0.242 68.627 68.868 0.001 0.000 0.934 799 T HN 0.649 nan 8.240 nan 0.000 0.518 800 R N 0.797 121.287 120.500 -0.017 0.000 3.179 800 R HA 0.278 4.626 4.340 0.012 0.000 0.231 800 R C -1.342 174.941 176.300 -0.030 0.000 1.796 800 R CA -0.730 55.352 56.100 -0.029 0.000 1.233 800 R CB -0.084 30.192 30.300 -0.041 0.000 1.545 800 R HN 0.112 nan 8.270 nan 0.000 0.552 801 I N 2.283 122.838 120.570 -0.025 0.000 2.634 801 I HA 0.078 4.255 4.170 0.012 0.000 0.284 801 I C 0.238 176.332 176.117 -0.038 0.000 1.124 801 I CA 0.212 61.497 61.300 -0.026 0.000 1.417 801 I CB 0.952 38.940 38.000 -0.020 0.000 1.396 801 I HN 0.608 nan 8.210 nan 0.000 0.571 802 D N 8.861 129.236 120.400 -0.042 0.000 2.473 802 D HA 0.294 4.941 4.640 0.012 0.000 0.226 802 D C -1.744 174.512 176.300 -0.074 0.000 1.089 802 D CA -2.218 51.748 54.000 -0.057 0.000 0.883 802 D CB 1.543 42.312 40.800 -0.053 0.000 1.029 802 D HN 0.160 nan 8.370 nan 0.000 0.517 803 P HA -0.100 nan 4.420 nan 0.000 0.225 803 P C 0.817 178.030 177.300 -0.145 0.000 1.148 803 P CA 0.653 63.697 63.100 -0.095 0.000 0.779 803 P CB 0.368 32.020 31.700 -0.080 0.000 0.780 804 N N -0.280 118.329 118.700 -0.152 0.000 2.422 804 N HA 0.068 4.816 4.740 0.012 0.000 0.181 804 N C 0.383 175.713 175.510 -0.300 0.000 1.080 804 N CA -0.021 52.897 53.050 -0.221 0.000 0.893 804 N CB -0.367 38.016 38.487 -0.174 0.000 0.973 804 N HN -0.048 nan 8.380 nan 0.000 0.456 805 A N -0.558 122.132 122.820 -0.217 0.000 2.445 805 A HA 0.119 4.446 4.320 0.012 0.000 0.242 805 A C 0.696 178.093 177.584 -0.312 0.000 1.075 805 A CA -0.407 51.501 52.037 -0.214 0.000 0.777 805 A CB -0.124 18.819 19.000 -0.095 0.000 1.013 805 A HN 0.523 nan 8.150 nan 0.000 0.493 806 W N 1.623 122.671 121.300 -0.420 0.000 2.318 806 W HA -0.196 4.472 4.660 0.012 0.000 0.313 806 W C 2.225 178.144 176.519 -0.999 0.000 1.221 806 W CA 1.730 58.554 57.345 -0.868 0.000 1.266 806 W CB -0.330 28.489 29.460 -1.068 0.000 1.150 806 W HN 0.561 nan 8.180 nan 0.000 0.496 807 V N 0.938 120.717 119.914 -0.226 0.000 2.324 807 V HA -0.292 3.836 4.120 0.012 0.000 0.250 807 V C 2.138 178.308 176.094 0.126 0.000 1.060 807 V CA 2.209 64.585 62.300 0.127 0.000 1.042 807 V CB -0.351 31.593 31.823 0.201 0.000 0.650 807 V HN 0.118 nan 8.190 nan 0.000 0.450 808 E N -0.283 119.901 120.200 -0.026 0.000 2.152 808 E HA -0.152 4.205 4.350 0.012 0.000 0.192 808 E C 2.338 178.905 176.600 -0.056 0.000 0.983 808 E CA 0.923 57.310 56.400 -0.023 0.000 0.818 808 E CB -0.268 29.397 29.700 -0.058 0.000 0.758 808 E HN 0.608 nan 8.360 nan 0.000 0.467 809 R N -0.141 120.252 120.500 -0.179 0.000 2.075 809 R HA -0.099 4.249 4.340 0.012 0.000 0.232 809 R C 2.285 178.524 176.300 -0.102 0.000 1.126 809 R CA 1.224 57.201 56.100 -0.206 0.000 0.963 809 R CB -0.133 29.933 30.300 -0.389 0.000 0.858 809 R HN 0.230 nan 8.270 nan 0.000 0.435 810 W N 1.491 122.771 121.300 -0.035 0.000 2.355 810 W HA -0.096 4.572 4.660 0.013 0.000 0.309 810 W C 1.936 178.421 176.519 -0.057 0.000 1.206 810 W CA 0.810 58.029 57.345 -0.210 0.000 1.284 810 W CB -0.741 28.743 29.460 0.041 0.000 1.145 810 W HN 0.098 nan 8.180 nan 0.000 0.502 811 K N 0.262 120.890 120.400 0.381 0.000 2.009 811 K HA -0.138 4.189 4.320 0.012 0.000 0.210 811 K C 2.287 178.947 176.600 0.099 0.000 1.049 811 K CA 2.104 58.564 56.287 0.289 0.000 0.929 811 K CB -0.755 31.853 32.500 0.180 0.000 0.714 811 K HN -0.005 nan 8.250 nan 0.000 0.440 812 A N 1.142 123.991 122.820 0.047 0.000 1.972 812 A HA -0.093 4.235 4.320 0.012 0.000 0.219 812 A C 2.233 179.812 177.584 -0.008 0.000 1.169 812 A CA 1.790 53.837 52.037 0.017 0.000 0.635 812 A CB -0.603 18.396 19.000 -0.002 0.000 0.810 812 A HN 0.360 nan 8.150 nan 0.000 0.446 813 A N -1.974 120.818 122.820 -0.047 0.000 2.167 813 A HA 0.392 4.719 4.320 0.012 0.000 0.214 813 A C 1.844 179.368 177.584 -0.100 0.000 1.151 813 A CA 1.295 53.313 52.037 -0.031 0.000 0.735 813 A CB -0.788 18.159 19.000 -0.088 0.000 0.802 813 A HN 1.876 nan 8.150 nan 0.000 0.467 814 G N -1.692 106.944 108.800 -0.273 0.000 2.141 814 G HA2 -0.289 3.678 3.960 0.012 0.000 0.242 814 G HA3 -0.289 3.678 3.960 0.012 0.000 0.242 814 G C 0.562 175.454 174.900 -0.014 0.000 0.982 814 G CA 0.629 45.344 45.100 -0.642 0.000 0.662 814 G HN 0.741 nan 8.290 nan 0.000 0.527 815 H N -1.421 117.640 119.070 -0.015 0.000 2.387 815 H HA -0.100 4.463 4.556 0.012 0.000 0.299 815 H C 2.186 177.495 175.328 -0.032 0.000 1.099 815 H CA 1.607 57.659 56.048 0.008 0.000 1.315 815 H CB 0.066 29.774 29.762 -0.088 0.000 1.380 815 H HN 0.597 nan 8.280 nan 0.000 0.513 816 Y N 0.975 121.401 120.300 0.210 0.000 2.516 816 Y HA -0.089 4.468 4.550 0.012 0.000 0.291 816 Y C 2.059 178.044 175.900 0.142 0.000 1.131 816 Y CA 0.365 58.550 58.100 0.141 0.000 1.281 816 Y CB 0.439 38.966 38.460 0.111 0.000 1.013 816 Y HN 0.310 nan 8.280 nan 0.000 0.554 817 Q N -0.247 119.721 119.800 0.280 0.000 2.247 817 Q HA 0.331 4.679 4.340 0.012 0.000 0.211 817 Q C 0.763 176.957 176.000 0.322 0.000 0.861 817 Q CA 0.194 56.158 55.803 0.268 0.000 0.949 817 Q CB 0.026 28.917 28.738 0.254 0.000 1.115 817 Q HN 0.229 nan 8.270 nan 0.000 0.507 818 A N 2.134 125.167 122.820 0.355 0.000 2.531 818 A HA 0.099 4.426 4.320 0.012 0.000 0.236 818 A C 0.029 177.916 177.584 0.505 0.000 1.062 818 A CA 0.230 52.542 52.037 0.459 0.000 0.760 818 A CB 0.253 19.569 19.000 0.526 0.000 0.995 818 A HN 0.153 nan 8.150 nan 0.000 0.501 819 E N 0.838 121.251 120.200 0.354 0.000 2.171 819 E HA 0.469 4.826 4.350 0.012 0.000 0.271 819 E C -0.385 176.157 176.600 -0.097 0.000 0.916 819 E CA -0.618 55.902 56.400 0.200 0.000 0.774 819 E CB 1.980 31.764 29.700 0.140 0.000 1.128 819 E HN 0.761 nan 8.360 nan 0.000 0.403 820 A N 2.285 124.929 122.820 -0.293 0.000 2.451 820 A HA 0.443 4.771 4.320 0.012 0.000 0.266 820 A C 0.001 177.419 177.584 -0.276 0.000 1.119 820 A CA -0.089 51.481 52.037 -0.777 0.000 0.786 820 A CB 0.096 18.784 19.000 -0.521 0.000 1.061 820 A HN 0.577 nan 8.150 nan 0.000 0.503 821 A N 2.985 125.649 122.820 -0.260 0.000 2.292 821 A HA 0.585 4.912 4.320 0.012 0.000 0.319 821 A C -0.313 177.205 177.584 -0.111 0.000 1.206 821 A CA -0.564 51.408 52.037 -0.109 0.000 0.835 821 A CB 0.449 19.404 19.000 -0.076 0.000 1.164 821 A HN 1.184 nan 8.150 nan 0.000 0.505 822 L N 3.093 124.243 121.223 -0.121 0.000 2.360 822 L HA 0.333 4.680 4.340 0.012 0.000 0.276 822 L C 0.466 177.214 176.870 -0.205 0.000 1.121 822 L CA 0.290 54.961 54.840 -0.282 0.000 0.845 822 L CB 0.377 42.278 42.059 -0.263 0.000 1.143 822 L HN 0.771 nan 8.230 nan 0.000 0.452 823 L N 3.179 124.267 121.223 -0.225 0.000 2.537 823 L HA 0.331 4.678 4.340 0.012 0.000 0.224 823 L C 0.481 177.285 176.870 -0.110 0.000 1.065 823 L CA 0.069 54.837 54.840 -0.120 0.000 0.860 823 L CB 0.103 42.120 42.059 -0.070 0.000 1.086 823 L HN 0.697 nan 8.230 nan 0.000 0.482 824 Q N -0.470 119.236 119.800 -0.158 0.000 2.426 824 Q HA 0.365 4.712 4.340 0.012 0.000 0.278 824 Q C -2.080 173.861 176.000 -0.098 0.000 1.007 824 Q CA -0.500 55.246 55.803 -0.094 0.000 0.850 824 Q CB 3.257 31.965 28.738 -0.051 0.000 1.427 824 Q HN 0.065 nan 8.270 nan 0.000 0.391 825 C N 2.773 122.063 119.300 -0.017 0.000 2.928 825 C HA 0.738 5.206 4.460 0.012 0.000 0.396 825 C C -1.028 174.073 174.990 0.186 0.000 1.052 825 C CA 0.376 59.431 59.018 0.061 0.000 1.251 825 C CB 0.537 28.303 27.740 0.044 0.000 1.684 825 C HN 0.843 nan 8.230 nan 0.000 0.501 826 T N 2.490 117.103 114.554 0.099 0.000 2.906 826 T HA 0.914 5.272 4.350 0.012 0.000 0.295 826 T C -0.532 173.943 174.700 -0.374 0.000 1.075 826 T CA -0.235 61.858 62.100 -0.012 0.000 1.005 826 T CB 1.940 70.781 68.868 -0.045 0.000 1.136 826 T HN 1.825 nan 8.240 nan 0.000 0.498 827 A N 1.426 123.809 122.820 -0.728 0.000 2.393 827 A HA 0.767 5.094 4.320 0.012 0.000 0.306 827 A C -1.242 176.054 177.584 -0.481 0.000 1.050 827 A CA -0.717 50.783 52.037 -0.895 0.000 0.724 827 A CB 1.275 19.253 19.000 -1.704 0.000 1.248 827 A HN 0.871 nan 8.150 nan 0.000 0.424 828 D N 0.850 121.048 120.400 -0.338 0.000 2.732 828 D HA 0.454 5.101 4.640 0.012 0.000 0.229 828 D C -1.014 175.178 176.300 -0.181 0.000 1.152 828 D CA -0.044 53.828 54.000 -0.212 0.000 0.854 828 D CB 2.404 43.112 40.800 -0.152 0.000 1.590 828 D HN 0.394 nan 8.370 nan 0.000 0.468 829 T N 1.939 116.409 114.554 -0.139 0.000 2.744 829 T HA 0.424 4.781 4.350 0.012 0.000 0.291 829 T C 0.674 175.321 174.700 -0.087 0.000 0.957 829 T CA -0.417 61.615 62.100 -0.113 0.000 1.002 829 T CB 0.621 69.425 68.868 -0.106 0.000 0.919 829 T HN 0.090 nan 8.240 nan 0.000 0.468 830 L N 1.640 122.816 121.223 -0.079 0.000 2.544 830 L HA 0.570 4.918 4.340 0.012 0.000 0.256 830 L C 2.086 178.926 176.870 -0.049 0.000 1.097 830 L CA -1.119 53.685 54.840 -0.060 0.000 0.812 830 L CB 0.088 42.113 42.059 -0.057 0.000 1.440 830 L HN 0.661 nan 8.230 nan 0.000 0.496 831 A N 0.488 123.285 122.820 -0.038 0.000 1.883 831 A HA -0.168 4.160 4.320 0.012 0.000 0.217 831 A C 1.109 178.677 177.584 -0.026 0.000 1.186 831 A CA 2.078 54.097 52.037 -0.030 0.000 0.624 831 A CB -0.470 18.515 19.000 -0.024 0.000 0.822 831 A HN 0.907 nan 8.150 nan 0.000 0.444 832 D N -2.537 117.846 120.400 -0.029 0.000 2.673 832 D HA 0.551 5.198 4.640 0.012 0.000 0.278 832 D C -0.095 176.186 176.300 -0.032 0.000 1.393 832 D CA 0.684 54.668 54.000 -0.026 0.000 0.805 832 D CB -0.102 40.681 40.800 -0.028 0.000 1.110 832 D HN 0.512 nan 8.370 nan 0.000 0.476 833 A N -0.539 122.254 122.820 -0.044 0.000 2.566 833 A HA 0.572 4.900 4.320 0.012 0.000 0.290 833 A C -1.800 175.732 177.584 -0.087 0.000 1.071 833 A CA -0.685 51.313 52.037 -0.066 0.000 0.658 833 A CB 1.411 20.370 19.000 -0.069 0.000 1.285 833 A HN 0.008 nan 8.150 nan 0.000 0.427 834 V N 0.602 120.444 119.914 -0.120 0.000 2.513 834 V HA 0.671 4.799 4.120 0.012 0.000 0.299 834 V C -0.840 175.148 176.094 -0.177 0.000 1.035 834 V CA -0.475 61.735 62.300 -0.150 0.000 0.889 834 V CB 1.411 33.141 31.823 -0.154 0.000 0.988 834 V HN 0.906 nan 8.190 nan 0.000 0.440 835 L N 6.051 127.160 121.223 -0.191 0.000 2.333 835 L HA 0.663 5.010 4.340 0.012 0.000 0.280 835 L C -0.878 175.835 176.870 -0.262 0.000 1.004 835 L CA -0.021 54.712 54.840 -0.179 0.000 0.820 835 L CB 1.391 43.376 42.059 -0.123 0.000 1.247 835 L HN 0.409 nan 8.230 nan 0.000 0.416 836 I N 3.943 124.351 120.570 -0.271 0.000 2.404 836 I HA 0.469 4.647 4.170 0.012 0.000 0.293 836 I C -0.131 175.929 176.117 -0.094 0.000 0.992 836 I CA -0.273 60.811 61.300 -0.361 0.000 1.149 836 I CB 1.641 39.157 38.000 -0.806 0.000 1.315 836 I HN 0.579 nan 8.210 nan 0.000 0.446 837 T N 4.573 119.083 114.554 -0.073 0.000 2.824 837 T HA 0.657 5.015 4.350 0.012 0.000 0.282 837 T C 0.075 174.811 174.700 0.060 0.000 0.993 837 T CA -0.550 61.563 62.100 0.023 0.000 0.967 837 T CB 1.933 70.791 68.868 -0.016 0.000 0.960 837 T HN 0.790 nan 8.240 nan 0.000 0.441 838 T N -0.537 114.093 114.554 0.128 0.000 2.883 838 T HA 0.892 5.250 4.350 0.012 0.000 0.296 838 T C -1.221 173.524 174.700 0.075 0.000 1.117 838 T CA -1.065 61.086 62.100 0.084 0.000 1.006 838 T CB 2.037 71.019 68.868 0.190 0.000 1.191 838 T HN 0.813 nan 8.240 nan 0.000 0.508 839 A N 1.253 124.041 122.820 -0.053 0.000 2.488 839 A HA 0.770 5.098 4.320 0.012 0.000 0.298 839 A C -1.490 176.001 177.584 -0.155 0.000 1.044 839 A CA -0.780 51.271 52.037 0.024 0.000 0.693 839 A CB 0.944 19.958 19.000 0.024 0.000 1.272 839 A HN 1.008 nan 8.150 nan 0.000 0.402 840 H N -0.013 119.106 119.070 0.082 0.000 2.821 840 H HA 0.776 5.339 4.556 0.012 0.000 0.373 840 H C -0.036 175.282 175.328 -0.017 0.000 1.165 840 H CA 0.262 56.267 56.048 -0.072 0.000 1.154 840 H CB 2.152 31.775 29.762 -0.232 0.000 1.765 840 H HN 0.995 nan 8.280 nan 0.000 0.549 841 A N 1.829 124.640 122.820 -0.015 0.000 2.342 841 A HA 0.423 4.750 4.320 0.012 0.000 0.323 841 A C -1.297 176.245 177.584 -0.071 0.000 1.125 841 A CA -0.694 51.391 52.037 0.080 0.000 0.785 841 A CB 1.044 20.081 19.000 0.063 0.000 1.221 841 A HN 0.582 nan 8.150 nan 0.000 0.463 842 W N 1.951 123.364 121.300 0.190 0.000 2.349 842 W HA 0.446 5.114 4.660 0.013 0.000 0.309 842 W C -0.360 176.197 176.519 0.063 0.000 1.083 842 W CA -0.071 57.388 57.345 0.189 0.000 1.224 842 W CB 1.699 31.339 29.460 0.301 0.000 1.256 842 W HN 0.791 nan 8.180 nan 0.000 0.461 843 Q N 1.280 121.210 119.800 0.217 0.000 2.484 843 Q HA 0.423 4.770 4.340 0.012 0.000 0.285 843 Q C -0.915 175.224 176.000 0.232 0.000 1.097 843 Q CA -0.876 55.020 55.803 0.155 0.000 0.802 843 Q CB 3.553 32.337 28.738 0.077 0.000 1.444 843 Q HN 0.365 nan 8.270 nan 0.000 0.429 844 H N 1.501 120.616 119.070 0.074 0.000 3.096 844 H HA 0.078 4.641 4.556 0.013 0.000 0.335 844 H C -0.838 174.527 175.328 0.062 0.000 0.990 844 H CA -0.080 56.021 56.048 0.088 0.000 1.393 844 H CB 0.996 30.825 29.762 0.112 0.000 1.742 844 H HN 0.767 nan 8.280 nan 0.000 0.501 845 Q N 3.291 122.821 119.800 -0.450 0.000 2.434 845 Q HA -0.235 4.112 4.340 0.012 0.000 0.299 845 Q C 0.912 176.847 176.000 -0.109 0.000 1.286 845 Q CA 1.335 56.954 55.803 -0.307 0.000 0.872 845 Q CB -1.541 26.941 28.738 -0.428 0.000 1.193 845 Q HN 1.185 nan 8.270 nan 0.000 0.466 846 G N -0.585 108.182 108.800 -0.054 0.000 2.234 846 G HA2 -0.324 3.643 3.960 0.012 0.000 0.235 846 G HA3 -0.324 3.643 3.960 0.012 0.000 0.235 846 G C 0.064 174.969 174.900 0.007 0.000 0.997 846 G CA 0.398 45.488 45.100 -0.016 0.000 0.623 846 G HN 0.295 nan 8.290 nan 0.000 0.514 847 K N 1.892 122.306 120.400 0.023 0.000 2.211 847 K HA 0.646 4.973 4.320 0.012 0.000 0.275 847 K C -0.085 176.536 176.600 0.033 0.000 1.024 847 K CA -0.090 56.219 56.287 0.036 0.000 0.887 847 K CB 0.906 33.441 32.500 0.058 0.000 1.084 847 K HN 0.012 nan 8.250 nan 0.000 0.463 848 T N 6.209 120.773 114.554 0.016 0.000 2.729 848 T HA 0.222 4.579 4.350 0.012 0.000 0.296 848 T C 1.118 175.777 174.700 -0.069 0.000 0.928 848 T CA -0.355 61.753 62.100 0.013 0.000 1.045 848 T CB 0.362 69.251 68.868 0.034 0.000 0.902 848 T HN 0.530 nan 8.240 nan 0.000 0.500 849 L N 2.662 123.767 121.223 -0.196 0.000 2.145 849 L HA 0.347 4.695 4.340 0.012 0.000 0.201 849 L C -0.065 176.342 176.870 -0.772 0.000 1.075 849 L CA 0.875 55.331 54.840 -0.639 0.000 0.773 849 L CB 0.043 41.392 42.059 -1.182 0.000 0.936 849 L HN 0.525 nan 8.230 nan 0.000 0.451 850 F N -1.217 118.708 119.950 -0.041 0.000 2.613 850 F HA 0.569 5.103 4.527 0.012 0.000 0.310 850 F C -0.540 175.366 175.800 0.177 0.000 1.085 850 F CA -0.853 57.063 58.000 -0.141 0.000 0.945 850 F CB 1.971 40.503 39.000 -0.781 0.000 1.298 850 F HN -0.334 nan 8.300 nan 0.000 0.455 851 I N 1.471 122.268 120.570 0.379 0.000 2.498 851 I HA 0.382 4.559 4.170 0.012 0.000 0.290 851 I C -0.817 175.567 176.117 0.445 0.000 1.032 851 I CA -0.604 60.940 61.300 0.406 0.000 1.073 851 I CB 2.222 40.369 38.000 0.245 0.000 1.251 851 I HN 0.537 nan 8.210 nan 0.000 0.426 852 S N 6.676 122.737 115.700 0.601 0.000 2.498 852 S HA 0.576 5.054 4.470 0.012 0.000 0.317 852 S C -0.676 174.167 174.600 0.405 0.000 1.090 852 S CA -0.668 57.859 58.200 0.545 0.000 1.089 852 S CB 0.636 64.286 63.200 0.750 0.000 0.997 852 S HN 0.559 nan 8.310 nan 0.000 0.470 853 R N 3.546 124.207 120.500 0.269 0.000 2.437 853 R HA 0.583 4.931 4.340 0.012 0.000 0.310 853 R C -0.671 175.704 176.300 0.124 0.000 0.955 853 R CA -0.767 55.445 56.100 0.188 0.000 0.851 853 R CB 1.834 32.216 30.300 0.137 0.000 1.161 853 R HN 0.554 nan 8.270 nan 0.000 0.446 854 K N 0.660 121.127 120.400 0.112 0.000 2.466 854 K HA 0.499 4.827 4.320 0.012 0.000 0.260 854 K C -0.816 175.770 176.600 -0.024 0.000 1.011 854 K CA -0.935 55.343 56.287 -0.014 0.000 0.871 854 K CB 2.532 34.992 32.500 -0.067 0.000 1.404 854 K HN 0.638 nan 8.250 nan 0.000 0.450 855 T N -1.523 112.948 114.554 -0.140 0.000 2.900 855 T HA 0.580 4.937 4.350 0.012 0.000 0.295 855 T C -1.331 173.263 174.700 -0.178 0.000 1.044 855 T CA -0.754 61.308 62.100 -0.063 0.000 0.995 855 T CB 0.600 69.453 68.868 -0.025 0.000 1.072 855 T HN 0.408 nan 8.240 nan 0.000 0.473 856 Y N 0.651 120.926 120.300 -0.041 0.000 2.338 856 Y HA 0.640 5.197 4.550 0.013 0.000 0.333 856 Y C 0.341 176.176 175.900 -0.107 0.000 0.968 856 Y CA -1.054 57.035 58.100 -0.018 0.000 1.123 856 Y CB 2.047 40.528 38.460 0.035 0.000 1.165 856 Y HN 0.731 nan 8.280 nan 0.000 0.452 857 R N 4.550 125.081 120.500 0.052 0.000 2.409 857 R HA 0.645 4.993 4.340 0.012 0.000 0.313 857 R C -1.717 174.527 176.300 -0.093 0.000 0.953 857 R CA -0.367 55.708 56.100 -0.040 0.000 0.849 857 R CB 0.604 30.889 30.300 -0.025 0.000 1.171 857 R HN 0.790 nan 8.270 nan 0.000 0.458 858 I N 5.453 125.905 120.570 -0.196 0.000 2.330 858 I HA 0.183 4.360 4.170 0.012 0.000 0.289 858 I C 0.075 176.070 176.117 -0.204 0.000 1.001 858 I CA -0.645 60.459 61.300 -0.325 0.000 1.193 858 I CB 1.299 38.901 38.000 -0.665 0.000 1.345 858 I HN 0.710 nan 8.210 nan 0.000 0.461 859 D N 4.818 125.142 120.400 -0.127 0.000 2.549 859 D HA 0.184 4.831 4.640 0.012 0.000 0.270 859 D C 1.166 177.449 176.300 -0.029 0.000 1.181 859 D CA -0.596 53.365 54.000 -0.064 0.000 1.070 859 D CB 1.374 42.154 40.800 -0.033 0.000 1.154 859 D HN 0.520 nan 8.370 nan 0.000 0.602 860 G N -0.994 107.798 108.800 -0.014 0.000 2.559 860 G HA2 -0.178 3.790 3.960 0.012 0.000 0.216 860 G HA3 -0.178 3.790 3.960 0.012 0.000 0.216 860 G C 1.290 176.208 174.900 0.030 0.000 1.126 860 G CA 1.054 46.159 45.100 0.008 0.000 0.778 860 G HN 0.528 nan 8.290 nan 0.000 0.543 861 S N -1.104 114.613 115.700 0.029 0.000 2.528 861 S HA 0.364 4.841 4.470 0.012 0.000 0.219 861 S C 1.845 176.510 174.600 0.108 0.000 0.985 861 S CA 0.946 59.182 58.200 0.061 0.000 0.914 861 S CB 0.080 63.311 63.200 0.051 0.000 0.776 861 S HN 1.407 nan 8.310 nan 0.000 0.526 862 G N 0.595 109.471 108.800 0.125 0.000 2.175 862 G HA2 -0.211 3.756 3.960 0.012 0.000 0.244 862 G HA3 -0.211 3.756 3.960 0.012 0.000 0.244 862 G C -0.185 174.863 174.900 0.246 0.000 0.982 862 G CA 0.004 45.252 45.100 0.246 0.000 0.641 862 G HN 0.606 nan 8.290 nan 0.000 0.527 863 Q N -0.441 119.439 119.800 0.133 0.000 2.221 863 Q HA 0.703 5.050 4.340 0.012 0.000 0.242 863 Q C 0.116 176.158 176.000 0.070 0.000 0.940 863 Q CA -0.413 55.477 55.803 0.145 0.000 0.896 863 Q CB 1.646 30.456 28.738 0.119 0.000 1.226 863 Q HN 0.422 nan 8.270 nan 0.000 0.463 864 M N 1.390 121.072 119.600 0.137 0.000 2.085 864 M HA 0.532 5.019 4.480 0.012 0.000 0.309 864 M C -1.658 174.746 176.300 0.173 0.000 0.947 864 M CA -0.499 54.850 55.300 0.081 0.000 0.918 864 M CB 1.319 33.981 32.600 0.103 0.000 1.504 864 M HN 0.722 nan 8.290 nan 0.000 0.420 865 A N 6.794 129.680 122.820 0.111 0.000 2.274 865 A HA 0.720 5.047 4.320 0.012 0.000 0.309 865 A C -0.806 176.824 177.584 0.076 0.000 1.226 865 A CA -0.599 51.504 52.037 0.110 0.000 0.853 865 A CB 0.267 19.310 19.000 0.071 0.000 1.146 865 A HN 0.913 nan 8.150 nan 0.000 0.518 866 I N 2.365 122.970 120.570 0.057 0.000 2.406 866 I HA 0.320 4.497 4.170 0.012 0.000 0.290 866 I C -0.249 175.773 176.117 -0.159 0.000 0.999 866 I CA -0.273 60.961 61.300 -0.111 0.000 1.124 866 I CB 2.183 40.138 38.000 -0.075 0.000 1.289 866 I HN 0.502 nan 8.210 nan 0.000 0.441 867 T N 5.746 120.170 114.554 -0.217 0.000 2.779 867 T HA 0.542 4.899 4.350 0.012 0.000 0.280 867 T C -0.273 174.234 174.700 -0.321 0.000 0.987 867 T CA -0.449 61.523 62.100 -0.213 0.000 0.966 867 T CB 1.879 70.717 68.868 -0.050 0.000 0.933 867 T HN 0.216 nan 8.240 nan 0.000 0.442 868 V N 3.670 123.259 119.914 -0.542 0.000 2.540 868 V HA 0.486 4.614 4.120 0.012 0.000 0.302 868 V C -0.690 175.221 176.094 -0.305 0.000 1.035 868 V CA -0.925 61.079 62.300 -0.493 0.000 0.873 868 V CB 2.056 33.313 31.823 -0.942 0.000 0.992 868 V HN 0.850 nan 8.190 nan 0.000 0.428 869 D N 3.343 123.736 120.400 -0.012 0.000 2.549 869 D HA 0.525 5.173 4.640 0.012 0.000 0.251 869 D C -1.042 175.376 176.300 0.197 0.000 1.153 869 D CA -0.108 53.981 54.000 0.149 0.000 0.861 869 D CB 2.752 43.666 40.800 0.190 0.000 1.207 869 D HN 0.256 nan 8.370 nan 0.000 0.543 870 V N 2.373 122.441 119.914 0.257 0.000 2.628 870 V HA 0.298 4.425 4.120 0.012 0.000 0.306 870 V C -0.017 176.217 176.094 0.232 0.000 1.045 870 V CA -0.739 61.726 62.300 0.274 0.000 0.905 870 V CB 2.413 34.438 31.823 0.336 0.000 0.997 870 V HN 0.366 nan 8.190 nan 0.000 0.436 871 E N 2.697 123.020 120.200 0.205 0.000 2.183 871 E HA 0.663 5.021 4.350 0.012 0.000 0.271 871 E C -1.498 175.215 176.600 0.187 0.000 0.919 871 E CA -0.648 55.852 56.400 0.166 0.000 0.781 871 E CB 2.574 32.353 29.700 0.133 0.000 1.140 871 E HN 0.395 nan 8.360 nan 0.000 0.402 872 V N 1.946 121.973 119.914 0.188 0.000 2.487 872 V HA 0.399 4.527 4.120 0.012 0.000 0.298 872 V C 0.068 176.254 176.094 0.153 0.000 1.028 872 V CA -1.029 61.409 62.300 0.230 0.000 0.860 872 V CB 1.561 33.557 31.823 0.288 0.000 0.991 872 V HN 0.860 nan 8.190 nan 0.000 0.427 873 A N 3.377 126.245 122.820 0.080 0.000 2.566 873 A HA 0.239 4.567 4.320 0.012 0.000 0.245 873 A C 1.627 179.281 177.584 0.118 0.000 1.056 873 A CA 0.681 52.755 52.037 0.063 0.000 0.757 873 A CB 0.200 19.200 19.000 0.001 0.000 0.979 873 A HN 1.414 nan 8.150 nan 0.000 0.508 874 S N 1.269 117.036 115.700 0.111 0.000 2.469 874 S HA -0.143 4.335 4.470 0.012 0.000 0.238 874 S C 0.824 175.505 174.600 0.136 0.000 0.998 874 S CA 1.272 59.557 58.200 0.142 0.000 0.957 874 S CB -0.239 63.023 63.200 0.103 0.000 0.764 874 S HN 0.823 nan 8.310 nan 0.000 0.514 875 D N 0.107 120.562 120.400 0.091 0.000 2.368 875 D HA 0.169 4.817 4.640 0.012 0.000 0.218 875 D C 0.392 176.728 176.300 0.060 0.000 1.112 875 D CA -0.085 53.952 54.000 0.062 0.000 0.834 875 D CB -0.221 40.603 40.800 0.040 0.000 0.953 875 D HN 0.280 nan 8.370 nan 0.000 0.505 876 T N 1.141 115.756 114.554 0.101 0.000 2.929 876 T HA 0.441 4.798 4.350 0.012 0.000 0.284 876 T C -2.644 172.163 174.700 0.179 0.000 1.014 876 T CA -2.001 60.182 62.100 0.138 0.000 1.051 876 T CB 1.327 70.295 68.868 0.167 0.000 1.028 876 T HN -0.166 nan 8.240 nan 0.000 0.485 877 P HA 0.116 nan 4.420 nan 0.000 0.266 877 P C -0.612 177.005 177.300 0.527 0.000 1.195 877 P CA 0.049 63.263 63.100 0.190 0.000 0.768 877 P CB -0.055 31.743 31.700 0.163 0.000 0.838 878 H N 3.406 122.865 119.070 0.648 0.000 3.094 878 H HA 0.060 4.623 4.556 0.012 0.000 0.320 878 H C -1.595 174.080 175.328 0.579 0.000 1.000 878 H CA -1.199 55.160 56.048 0.518 0.000 1.413 878 H CB -0.434 29.576 29.762 0.414 0.000 1.405 878 H HN 0.378 nan 8.280 nan 0.000 0.586 879 P HA 0.045 nan 4.420 nan 0.000 0.276 879 P C 0.102 177.284 177.300 -0.196 0.000 1.244 879 P CA -0.362 62.800 63.100 0.103 0.000 0.801 879 P CB 1.222 32.832 31.700 -0.150 0.000 1.006 880 A N 3.064 125.490 122.820 -0.656 0.000 1.933 880 A HA -0.105 4.222 4.320 0.012 0.000 0.218 880 A C 1.045 178.227 177.584 -0.669 0.000 1.175 880 A CA 1.402 53.013 52.037 -0.709 0.000 0.628 880 A CB -0.541 17.818 19.000 -1.068 0.000 0.814 880 A HN 0.747 nan 8.150 nan 0.000 0.444 881 R N -2.950 117.194 120.500 -0.594 0.000 2.733 881 R HA 0.758 5.106 4.340 0.012 0.000 0.272 881 R C -1.564 174.492 176.300 -0.407 0.000 1.029 881 R CA -0.810 54.961 56.100 -0.549 0.000 0.888 881 R CB 0.957 30.901 30.300 -0.593 0.000 1.251 881 R HN -0.007 nan 8.270 nan 0.000 0.464 882 I N 1.027 121.393 120.570 -0.340 0.000 2.517 882 I HA 0.631 4.808 4.170 0.012 0.000 0.280 882 I C -0.549 175.347 176.117 -0.368 0.000 1.061 882 I CA -0.354 60.791 61.300 -0.259 0.000 1.091 882 I CB 1.800 39.716 38.000 -0.140 0.000 1.205 882 I HN 0.971 nan 8.210 nan 0.000 0.459 883 G N 5.938 114.460 108.800 -0.463 0.000 2.634 883 G HA2 0.707 4.675 3.960 0.012 0.000 0.309 883 G HA3 0.707 4.675 3.960 0.012 0.000 0.309 883 G C -1.758 172.972 174.900 -0.283 0.000 1.299 883 G CA -0.576 44.282 45.100 -0.404 0.000 0.798 883 G HN 0.264 nan 8.290 nan 0.000 0.490 884 L N 0.790 121.895 121.223 -0.195 0.000 2.323 884 L HA 0.653 5.001 4.340 0.012 0.000 0.265 884 L C -0.668 176.098 176.870 -0.173 0.000 1.012 884 L CA -1.145 53.612 54.840 -0.138 0.000 0.820 884 L CB 2.401 44.460 42.059 -0.000 0.000 1.334 884 L HN 0.754 nan 8.230 nan 0.000 0.427 885 N N 0.825 119.449 118.700 -0.127 0.000 2.396 885 N HA 0.683 5.430 4.740 0.012 0.000 0.275 885 N C -1.350 174.164 175.510 0.007 0.000 1.218 885 N CA -0.482 52.527 53.050 -0.068 0.000 0.812 885 N CB 2.453 40.900 38.487 -0.067 0.000 1.592 885 N HN 0.836 nan 8.380 nan 0.000 0.480 886 C N -0.398 118.926 119.300 0.040 0.000 3.307 886 C HA 0.562 5.030 4.460 0.012 0.000 0.333 886 C C -1.060 173.778 174.990 -0.253 0.000 1.291 886 C CA -0.866 58.129 59.018 -0.038 0.000 1.273 886 C CB 0.980 28.722 27.740 0.004 0.000 1.580 886 C HN 0.829 nan 8.230 nan 0.000 0.481 887 Q N 1.644 121.072 119.800 -0.620 0.000 2.368 887 Q HA 0.627 4.974 4.340 0.012 0.000 0.256 887 Q C -0.940 174.772 176.000 -0.480 0.000 0.980 887 Q CA -0.418 54.765 55.803 -1.032 0.000 0.887 887 Q CB 0.802 28.478 28.738 -1.769 0.000 1.221 887 Q HN 0.787 nan 8.270 nan 0.000 0.458 888 L N 2.552 123.598 121.223 -0.295 0.000 2.439 888 L HA 0.209 4.557 4.340 0.012 0.000 0.269 888 L C 1.219 178.027 176.870 -0.103 0.000 1.179 888 L CA -0.108 54.676 54.840 -0.093 0.000 0.828 888 L CB 0.763 42.866 42.059 0.074 0.000 1.106 888 L HN 0.827 nan 8.230 nan 0.000 0.467 889 A N 1.954 124.742 122.820 -0.054 0.000 2.014 889 A HA -0.103 4.225 4.320 0.012 0.000 0.218 889 A C 1.073 178.643 177.584 -0.022 0.000 1.163 889 A CA 0.579 52.574 52.037 -0.069 0.000 0.652 889 A CB -0.254 18.695 19.000 -0.084 0.000 0.808 889 A HN 0.788 nan 8.150 nan 0.000 0.449 890 Q N -0.084 119.741 119.800 0.041 0.000 2.340 890 Q HA 0.447 4.794 4.340 0.012 0.000 0.249 890 Q C -1.181 174.859 176.000 0.066 0.000 0.957 890 Q CA 0.023 55.841 55.803 0.024 0.000 0.882 890 Q CB 1.058 29.813 28.738 0.030 0.000 1.235 890 Q HN 0.110 nan 8.270 nan 0.000 0.439 891 V N 3.440 123.356 119.914 0.003 0.000 2.407 891 V HA 0.782 4.909 4.120 0.012 0.000 0.291 891 V C -0.529 175.532 176.094 -0.055 0.000 1.018 891 V CA -0.309 62.025 62.300 0.056 0.000 0.842 891 V CB 0.844 32.685 31.823 0.030 0.000 0.996 891 V HN 0.903 nan 8.190 nan 0.000 0.426 892 A N 3.234 125.979 122.820 -0.125 0.000 2.354 892 A HA 0.730 5.057 4.320 0.012 0.000 0.321 892 A C 0.633 178.226 177.584 0.016 0.000 1.125 892 A CA -0.508 51.384 52.037 -0.241 0.000 0.799 892 A CB 1.284 19.864 19.000 -0.700 0.000 1.293 892 A HN 0.806 nan 8.150 nan 0.000 0.452 893 E N 0.027 120.228 120.200 0.002 0.000 2.152 893 E HA -0.053 4.305 4.350 0.012 0.000 0.192 893 E C 0.263 176.935 176.600 0.120 0.000 0.983 893 E CA 0.854 57.289 56.400 0.059 0.000 0.818 893 E CB 0.141 29.858 29.700 0.028 0.000 0.758 893 E HN 0.452 nan 8.360 nan 0.000 0.467 894 R N -0.060 120.523 120.500 0.139 0.000 2.888 894 R HA 0.537 4.885 4.340 0.012 0.000 0.266 894 R C -0.900 175.589 176.300 0.315 0.000 1.020 894 R CA -0.887 55.328 56.100 0.193 0.000 0.963 894 R CB 1.682 32.065 30.300 0.139 0.000 1.197 894 R HN -0.185 nan 8.270 nan 0.000 0.481 895 V N 1.583 121.687 119.914 0.317 0.000 2.525 895 V HA 0.381 4.508 4.120 0.012 0.000 0.299 895 V C -0.344 176.017 176.094 0.445 0.000 1.034 895 V CA -0.951 61.571 62.300 0.369 0.000 0.863 895 V CB 1.886 33.867 31.823 0.265 0.000 0.999 895 V HN 0.664 nan 8.190 nan 0.000 0.423 896 N N 4.438 123.377 118.700 0.398 0.000 2.354 896 N HA 0.531 5.279 4.740 0.012 0.000 0.287 896 N C -1.383 174.384 175.510 0.430 0.000 1.016 896 N CA -0.423 52.837 53.050 0.351 0.000 0.871 896 N CB 2.643 41.229 38.487 0.165 0.000 1.299 896 N HN 0.835 nan 8.380 nan 0.000 0.482 897 W N 3.320 124.659 121.300 0.066 0.000 3.107 897 W HA 0.584 5.251 4.660 0.012 0.000 0.331 897 W C -1.957 174.529 176.519 -0.056 0.000 1.204 897 W CA -1.157 56.201 57.345 0.021 0.000 1.184 897 W CB 0.726 30.232 29.460 0.076 0.000 1.421 897 W HN 0.221 nan 8.180 nan 0.000 0.544 898 L N 4.327 125.542 121.223 -0.014 0.000 2.277 898 L HA 0.910 5.257 4.340 0.012 0.000 0.284 898 L C 0.014 176.713 176.870 -0.285 0.000 1.028 898 L CA 0.367 55.006 54.840 -0.335 0.000 0.835 898 L CB 0.529 42.481 42.059 -0.178 0.000 1.215 898 L HN 0.986 nan 8.230 nan 0.000 0.425 899 G N 3.756 112.238 108.800 -0.530 0.000 2.335 899 G HA2 0.203 4.170 3.960 0.012 0.000 0.291 899 G HA3 0.203 4.170 3.960 0.012 0.000 0.291 899 G C -1.625 173.288 174.900 0.022 0.000 1.261 899 G CA -1.056 43.963 45.100 -0.136 0.000 0.871 899 G HN 0.452 nan 8.290 nan 0.000 0.491 900 L N 1.029 122.411 121.223 0.264 0.000 2.380 900 L HA 0.605 4.952 4.340 0.012 0.000 0.273 900 L C 1.103 178.078 176.870 0.174 0.000 1.138 900 L CA 0.839 55.805 54.840 0.209 0.000 0.832 900 L CB 0.650 42.779 42.059 0.117 0.000 1.124 900 L HN 1.210 nan 8.230 nan 0.000 0.454 901 G N 2.741 111.416 108.800 -0.209 0.000 2.348 901 G HA2 0.223 4.190 3.960 0.012 0.000 0.296 901 G HA3 0.223 4.190 3.960 0.012 0.000 0.296 901 G C -2.744 171.326 174.900 -1.383 0.000 1.258 901 G CA -0.264 44.379 45.100 -0.762 0.000 0.868 901 G HN 0.308 nan 8.290 nan 0.000 0.488 902 P HA 0.089 nan 4.420 nan 0.000 0.235 902 P C 0.474 177.584 177.300 -0.317 0.000 1.177 902 P CA 0.602 63.031 63.100 -1.118 0.000 0.785 902 P CB 0.417 31.620 31.700 -0.827 0.000 0.885 903 Q N 0.566 120.170 119.800 -0.327 0.000 2.317 903 Q HA 0.134 4.481 4.340 0.012 0.000 0.229 903 Q C 0.435 176.326 176.000 -0.182 0.000 0.984 903 Q CA -0.540 55.147 55.803 -0.194 0.000 0.911 903 Q CB 0.708 29.349 28.738 -0.162 0.000 1.217 903 Q HN 0.149 nan 8.270 nan 0.000 0.501 904 E N 1.422 121.522 120.200 -0.166 0.000 2.502 904 E HA -0.115 4.243 4.350 0.012 0.000 0.261 904 E C -1.138 175.383 176.600 -0.132 0.000 0.974 904 E CA 0.303 56.593 56.400 -0.184 0.000 0.936 904 E CB 0.261 29.919 29.700 -0.070 0.000 0.926 904 E HN 0.614 nan 8.360 nan 0.000 0.459 905 N N 2.665 121.217 118.700 -0.247 0.000 2.367 905 N HA 0.303 5.051 4.740 0.012 0.000 0.278 905 N C -1.876 173.431 175.510 -0.338 0.000 1.117 905 N CA -0.682 52.279 53.050 -0.149 0.000 0.867 905 N CB 0.719 39.133 38.487 -0.121 0.000 1.649 905 N HN 0.240 nan 8.380 nan 0.000 0.479 906 Y N 0.328 120.533 120.300 -0.158 0.000 2.598 906 Y HA 0.505 5.063 4.550 0.012 0.000 0.340 906 Y C -1.627 174.195 175.900 -0.131 0.000 1.038 906 Y CA -2.100 55.892 58.100 -0.181 0.000 1.100 906 Y CB 1.975 40.322 38.460 -0.188 0.000 1.281 906 Y HN 0.456 nan 8.280 nan 0.000 0.488 907 P HA -0.163 nan 4.420 nan 0.000 0.217 907 P C 0.362 177.537 177.300 -0.209 0.000 1.148 907 P CA 2.023 65.163 63.100 0.066 0.000 0.828 907 P CB 0.227 32.085 31.700 0.264 0.000 0.783 908 D N -2.363 117.717 120.400 -0.533 0.000 2.349 908 D HA 0.001 4.649 4.640 0.012 0.000 0.214 908 D C 0.785 176.918 176.300 -0.278 0.000 1.063 908 D CA 0.134 53.586 54.000 -0.913 0.000 0.847 908 D CB -0.199 39.868 40.800 -1.221 0.000 0.933 908 D HN 0.117 nan 8.370 nan 0.000 0.513 909 R N 1.052 121.492 120.500 -0.100 0.000 2.655 909 R HA 0.204 4.551 4.340 0.012 0.000 0.261 909 R C -0.560 175.766 176.300 0.044 0.000 1.624 909 R CA -0.169 55.939 56.100 0.012 0.000 1.655 909 R CB 0.087 30.399 30.300 0.020 0.000 1.356 909 R HN 0.103 nan 8.270 nan 0.000 0.684 910 L N -1.627 119.629 121.223 0.055 0.000 3.386 910 L HA 0.339 4.687 4.340 0.012 0.000 0.307 910 L C 1.296 178.221 176.870 0.093 0.000 1.235 910 L CA 0.162 55.036 54.840 0.057 0.000 1.056 910 L CB 0.166 42.248 42.059 0.039 0.000 1.453 910 L HN 0.091 nan 8.230 nan 0.000 0.615 911 T N -2.665 111.973 114.554 0.139 0.000 2.867 911 T HA 0.012 4.369 4.350 0.012 0.000 0.268 911 T C 1.758 176.501 174.700 0.072 0.000 1.057 911 T CA 1.283 63.488 62.100 0.175 0.000 1.136 911 T CB -0.349 68.679 68.868 0.268 0.000 0.874 911 T HN 0.398 nan 8.240 nan 0.000 0.466 912 A N 1.505 124.372 122.820 0.077 0.000 2.119 912 A HA 0.656 4.984 4.320 0.012 0.000 0.216 912 A C 1.603 179.258 177.584 0.118 0.000 1.152 912 A CA 0.456 52.478 52.037 -0.025 0.000 0.708 912 A CB -0.900 18.243 19.000 0.239 0.000 0.805 912 A HN 0.828 nan 8.150 nan 0.000 0.460 913 A N -1.105 121.736 122.820 0.035 0.000 2.386 913 A HA 0.444 4.771 4.320 0.012 0.000 0.248 913 A C 0.039 177.635 177.584 0.020 0.000 1.082 913 A CA -0.011 52.008 52.037 -0.029 0.000 0.789 913 A CB -0.112 18.866 19.000 -0.038 0.000 1.025 913 A HN 0.469 nan 8.150 nan 0.000 0.490 914 C N 0.477 119.783 119.300 0.010 0.000 2.614 914 C HA 0.574 5.041 4.460 0.012 0.000 0.320 914 C C -0.225 174.851 174.990 0.142 0.000 1.200 914 C CA -0.495 58.574 59.018 0.086 0.000 1.700 914 C CB 1.017 28.836 27.740 0.131 0.000 2.275 914 C HN 0.796 nan 8.230 nan 0.000 0.492 915 F N 3.537 123.288 119.950 -0.331 0.000 2.424 915 F HA 0.502 5.036 4.527 0.012 0.000 0.356 915 F C 0.329 175.782 175.800 -0.580 0.000 1.110 915 F CA 1.017 58.702 58.000 -0.526 0.000 1.161 915 F CB 0.047 38.235 39.000 -1.354 0.000 1.115 915 F HN 0.622 nan 8.300 nan 0.000 0.507 916 D N 3.821 123.593 120.400 -1.048 0.000 2.865 916 D HA 0.187 4.834 4.640 0.012 0.000 0.343 916 D C -1.549 173.839 176.300 -1.519 0.000 1.372 916 D CA -0.747 52.504 54.000 -1.248 0.000 0.862 916 D CB 1.745 41.706 40.800 -1.399 0.000 1.425 916 D HN 0.544 nan 8.370 nan 0.000 0.501 917 R N 0.830 120.565 120.500 -1.276 0.000 2.207 917 R HA 0.443 4.791 4.340 0.012 0.000 0.334 917 R C -1.111 174.478 176.300 -1.186 0.000 1.013 917 R CA -0.395 55.113 56.100 -0.987 0.000 0.858 917 R CB 0.422 30.395 30.300 -0.544 0.000 1.094 917 R HN 0.246 nan 8.270 nan 0.000 0.457 918 W N 2.458 123.242 121.300 -0.861 0.000 2.647 918 W HA 0.399 5.067 4.660 0.012 0.000 0.353 918 W C -0.355 175.816 176.519 -0.580 0.000 1.080 918 W CA -0.579 56.230 57.345 -0.893 0.000 1.208 918 W CB 1.479 29.929 29.460 -1.683 0.000 1.396 918 W HN 0.351 nan 8.180 nan 0.000 0.573 919 D N 2.069 122.450 120.400 -0.031 0.000 2.613 919 D HA 0.405 5.053 4.640 0.012 0.000 0.230 919 D C -1.553 174.849 176.300 0.171 0.000 1.365 919 D CA -0.136 53.930 54.000 0.109 0.000 0.976 919 D CB 1.025 41.845 40.800 0.034 0.000 1.415 919 D HN 0.362 nan 8.370 nan 0.000 0.589 920 L N 2.835 124.228 121.223 0.282 0.000 2.327 920 L HA 0.572 4.919 4.340 0.012 0.000 0.258 920 L C -2.308 174.676 176.870 0.189 0.000 1.024 920 L CA -2.182 52.791 54.840 0.222 0.000 0.825 920 L CB 2.678 44.910 42.059 0.290 0.000 1.386 920 L HN 0.178 nan 8.230 nan 0.000 0.417 921 P HA 0.024 nan 4.420 nan 0.000 0.271 921 P C 0.549 177.922 177.300 0.123 0.000 1.218 921 P CA -0.327 62.841 63.100 0.113 0.000 0.780 921 P CB 0.896 32.643 31.700 0.079 0.000 0.901 922 L N 3.732 125.033 121.223 0.130 0.000 2.051 922 L HA -0.265 4.083 4.340 0.012 0.000 0.214 922 L C 2.256 179.170 176.870 0.074 0.000 1.076 922 L CA 2.813 57.721 54.840 0.112 0.000 0.758 922 L CB -1.594 40.545 42.059 0.133 0.000 0.890 922 L HN 0.470 nan 8.230 nan 0.000 0.433 923 S N -2.026 113.720 115.700 0.076 0.000 2.442 923 S HA -0.151 4.326 4.470 0.012 0.000 0.236 923 S C 1.529 176.195 174.600 0.111 0.000 1.007 923 S CA 1.077 59.338 58.200 0.101 0.000 0.965 923 S CB -0.702 62.553 63.200 0.093 0.000 0.773 923 S HN 0.536 nan 8.310 nan 0.000 0.504 924 D N 0.917 121.360 120.400 0.072 0.000 2.349 924 D HA 0.145 4.793 4.640 0.012 0.000 0.224 924 D C 1.072 177.374 176.300 0.005 0.000 1.029 924 D CA 0.449 54.469 54.000 0.034 0.000 0.879 924 D CB -0.050 40.773 40.800 0.039 0.000 0.906 924 D HN 0.369 nan 8.370 nan 0.000 0.528 925 M N -0.267 119.344 119.600 0.019 0.000 2.563 925 M HA 0.056 4.543 4.480 0.012 0.000 0.231 925 M C -0.035 176.263 176.300 -0.004 0.000 1.136 925 M CA -0.047 55.217 55.300 -0.060 0.000 1.026 925 M CB -0.857 31.695 32.600 -0.080 0.000 1.597 925 M HN -0.031 nan 8.290 nan 0.000 0.495 926 Y N -0.398 119.865 120.300 -0.063 0.000 2.409 926 Y HA 0.529 5.087 4.550 0.013 0.000 0.343 926 Y C -0.780 175.091 175.900 -0.048 0.000 0.973 926 Y CA -0.939 57.150 58.100 -0.019 0.000 1.064 926 Y CB 1.298 39.809 38.460 0.083 0.000 1.207 926 Y HN -0.134 nan 8.280 nan 0.000 0.452 927 T N 8.627 122.769 114.554 -0.687 0.000 2.758 927 T HA 0.310 4.667 4.350 0.012 0.000 0.285 927 T C -2.733 171.276 174.700 -1.151 0.000 0.981 927 T CA -1.528 60.097 62.100 -0.792 0.000 0.965 927 T CB 1.185 69.660 68.868 -0.655 0.000 0.927 927 T HN 0.461 nan 8.240 nan 0.000 0.448 928 P HA 0.172 nan 4.420 nan 0.000 0.220 928 P C -0.657 176.614 177.300 -0.049 0.000 1.806 928 P CA -0.482 62.265 63.100 -0.589 0.000 0.976 928 P CB -0.670 30.823 31.700 -0.344 0.000 1.952 929 Y N -0.133 120.225 120.300 0.096 0.000 2.712 929 Y HA -0.105 4.452 4.550 0.012 0.000 0.333 929 Y C 2.289 178.319 175.900 0.216 0.000 1.225 929 Y CA -0.460 57.777 58.100 0.229 0.000 1.499 929 Y CB 0.589 39.063 38.460 0.024 0.000 1.288 929 Y HN -0.065 nan 8.280 nan 0.000 0.575 930 V N 3.516 123.725 119.914 0.492 0.000 2.324 930 V HA -0.315 3.813 4.120 0.012 0.000 0.250 930 V C 0.521 176.798 176.094 0.305 0.000 1.060 930 V CA 1.498 64.029 62.300 0.385 0.000 1.042 930 V CB -0.550 31.522 31.823 0.415 0.000 0.650 930 V HN 0.577 nan 8.190 nan 0.000 0.450 931 F N 2.986 122.981 119.950 0.076 0.000 2.371 931 F HA 0.514 5.049 4.527 0.013 0.000 0.363 931 F C -2.534 173.265 175.800 -0.001 0.000 1.122 931 F CA -3.466 54.511 58.000 -0.039 0.000 1.129 931 F CB 0.780 39.629 39.000 -0.252 0.000 1.173 931 F HN -0.009 nan 8.300 nan 0.000 0.489 932 P HA 0.229 nan 4.420 nan 0.000 0.271 932 P C -1.029 175.950 177.300 -0.535 0.000 1.216 932 P CA 0.143 63.005 63.100 -0.397 0.000 0.771 932 P CB 1.167 32.655 31.700 -0.353 0.000 0.864 933 S N 0.406 115.986 115.700 -0.199 0.000 2.752 933 S HA 0.491 4.969 4.470 0.012 0.000 0.284 933 S C -0.698 173.886 174.600 -0.027 0.000 1.189 933 S CA -0.958 57.161 58.200 -0.135 0.000 0.835 933 S CB 0.480 63.628 63.200 -0.087 0.000 1.192 933 S HN 0.328 nan 8.310 nan 0.000 0.506 934 E N 1.108 121.306 120.200 -0.004 0.000 2.502 934 E HA 0.340 4.698 4.350 0.012 0.000 0.261 934 E C -0.236 176.418 176.600 0.089 0.000 0.974 934 E CA 0.739 57.168 56.400 0.047 0.000 0.936 934 E CB -0.206 29.544 29.700 0.083 0.000 0.926 934 E HN 0.791 nan 8.360 nan 0.000 0.459 935 N N 1.385 120.180 118.700 0.159 0.000 2.961 935 N HA 0.485 5.232 4.740 0.012 0.000 0.245 935 N C 0.144 175.731 175.510 0.129 0.000 1.404 935 N CA -0.558 52.634 53.050 0.235 0.000 0.880 935 N CB 0.998 39.637 38.487 0.253 0.000 1.461 935 N HN 0.737 nan 8.380 nan 0.000 0.510 936 G N -1.261 107.577 108.800 0.063 0.000 2.179 936 G HA2 -0.260 3.708 3.960 0.012 0.000 0.260 936 G HA3 -0.260 3.708 3.960 0.012 0.000 0.260 936 G C -0.199 174.442 174.900 -0.432 0.000 0.977 936 G CA 0.344 45.349 45.100 -0.159 0.000 0.641 936 G HN 0.691 nan 8.290 nan 0.000 0.533 937 L N 0.131 121.010 121.223 -0.574 0.000 2.499 937 L HA 0.643 4.990 4.340 0.012 0.000 0.281 937 L C 0.694 176.977 176.870 -0.977 0.000 1.234 937 L CA 0.557 54.816 54.840 -0.969 0.000 0.839 937 L CB 0.504 41.632 42.059 -1.552 0.000 1.104 937 L HN 0.288 nan 8.230 nan 0.000 0.500 938 R N 2.071 121.920 120.500 -1.084 0.000 2.575 938 R HA 0.512 4.859 4.340 0.012 0.000 0.293 938 R C -1.020 174.918 176.300 -0.604 0.000 0.983 938 R CA -0.300 55.292 56.100 -0.847 0.000 0.887 938 R CB 1.465 31.151 30.300 -1.025 0.000 1.184 938 R HN 0.679 nan 8.270 nan 0.000 0.445 939 C N 0.170 119.270 119.300 -0.334 0.000 2.380 939 C HA 0.739 5.206 4.460 0.012 0.000 0.393 939 C C 1.317 176.289 174.990 -0.031 0.000 1.284 939 C CA 0.018 58.927 59.018 -0.182 0.000 2.033 939 C CB 1.346 29.006 27.740 -0.133 0.000 2.165 939 C HN 1.030 nan 8.230 nan 0.000 0.540 940 G N 1.622 110.422 108.800 0.001 0.000 2.321 940 G HA2 -0.191 3.776 3.960 0.012 0.000 0.287 940 G HA3 -0.191 3.776 3.960 0.012 0.000 0.287 940 G C -0.031 174.935 174.900 0.109 0.000 1.018 940 G CA 0.638 45.792 45.100 0.091 0.000 0.855 940 G HN 0.796 nan 8.290 nan 0.000 0.507 941 T N -0.106 114.387 114.554 -0.100 0.000 2.806 941 T HA 0.515 4.873 4.350 0.012 0.000 0.290 941 T C 1.354 175.776 174.700 -0.463 0.000 0.966 941 T CA -0.547 61.432 62.100 -0.202 0.000 1.060 941 T CB 1.343 70.081 68.868 -0.217 0.000 0.927 941 T HN 0.197 nan 8.240 nan 0.000 0.485 942 R N 1.455 121.883 120.500 -0.120 0.000 2.254 942 R HA 0.297 4.645 4.340 0.012 0.000 0.193 942 R C 0.534 176.867 176.300 0.055 0.000 0.929 942 R CA 0.250 56.343 56.100 -0.011 0.000 1.038 942 R CB 0.331 30.749 30.300 0.197 0.000 1.009 942 R HN 0.712 nan 8.270 nan 0.000 0.512 943 E N 0.356 120.592 120.200 0.060 0.000 2.335 943 E HA 0.332 4.689 4.350 0.012 0.000 0.280 943 E C -1.862 174.866 176.600 0.214 0.000 0.918 943 E CA -0.662 55.856 56.400 0.197 0.000 0.765 943 E CB 1.522 31.308 29.700 0.144 0.000 1.218 943 E HN -0.094 nan 8.360 nan 0.000 0.425 944 L N 3.967 125.374 121.223 0.307 0.000 2.410 944 L HA 0.592 4.939 4.340 0.012 0.000 0.270 944 L C -1.814 175.236 176.870 0.299 0.000 0.983 944 L CA -0.399 54.562 54.840 0.202 0.000 0.822 944 L CB 1.763 43.799 42.059 -0.038 0.000 1.285 944 L HN 0.485 nan 8.230 nan 0.000 0.409 945 N N 4.421 123.271 118.700 0.250 0.000 2.314 945 N HA 0.411 5.158 4.740 0.012 0.000 0.294 945 N C -1.966 173.756 175.510 0.353 0.000 1.029 945 N CA -0.290 52.904 53.050 0.241 0.000 0.845 945 N CB 2.261 40.838 38.487 0.151 0.000 1.321 945 N HN 0.582 nan 8.380 nan 0.000 0.481 946 Y N 1.117 121.540 120.300 0.204 0.000 2.298 946 Y HA 0.383 4.941 4.550 0.013 0.000 0.322 946 Y C 0.616 176.620 175.900 0.173 0.000 1.138 946 Y CA 0.084 58.312 58.100 0.214 0.000 1.127 946 Y CB 0.504 39.151 38.460 0.313 0.000 1.178 946 Y HN 0.871 nan 8.280 nan 0.000 0.428 947 G N 6.562 115.196 108.800 -0.277 0.000 2.583 947 G HA2 -0.301 3.666 3.960 0.012 0.000 0.292 947 G HA3 -0.301 3.666 3.960 0.012 0.000 0.292 947 G C -1.776 173.009 174.900 -0.191 0.000 1.203 947 G CA 0.170 45.094 45.100 -0.293 0.000 0.987 947 G HN 0.545 nan 8.290 nan 0.000 0.554 948 P HA 0.167 nan 4.420 nan 0.000 0.249 948 P C 0.273 177.344 177.300 -0.382 0.000 1.229 948 P CA 0.744 63.644 63.100 -0.333 0.000 0.788 948 P CB 0.010 31.444 31.700 -0.443 0.000 1.072 949 H N 0.147 119.138 119.070 -0.131 0.000 2.496 949 H HA 0.490 5.054 4.556 0.013 0.000 0.342 949 H C -0.122 174.927 175.328 -0.464 0.000 1.170 949 H CA -0.234 55.603 56.048 -0.351 0.000 1.274 949 H CB 1.717 30.966 29.762 -0.855 0.000 1.538 949 H HN 0.034 nan 8.280 nan 0.000 0.542 950 Q N 1.805 121.338 119.800 -0.445 0.000 2.305 950 Q HA 0.230 4.578 4.340 0.012 0.000 0.271 950 Q C -1.731 174.006 176.000 -0.438 0.000 1.046 950 Q CA -0.713 54.930 55.803 -0.267 0.000 0.798 950 Q CB 2.149 30.864 28.738 -0.039 0.000 1.286 950 Q HN 0.578 nan 8.270 nan 0.000 0.435 951 W N 3.956 125.207 121.300 -0.082 0.000 2.587 951 W HA 0.568 5.236 4.660 0.013 0.000 0.324 951 W C -0.279 176.323 176.519 0.138 0.000 1.040 951 W CA -0.728 56.544 57.345 -0.121 0.000 1.222 951 W CB 2.011 31.201 29.460 -0.450 0.000 1.381 951 W HN 0.546 nan 8.180 nan 0.000 0.483 952 R N 0.797 121.535 120.500 0.396 0.000 2.750 952 R HA 0.800 5.147 4.340 0.012 0.000 0.281 952 R C 0.221 176.802 176.300 0.468 0.000 0.972 952 R CA -0.424 55.931 56.100 0.424 0.000 0.912 952 R CB 2.419 32.878 30.300 0.264 0.000 1.187 952 R HN 0.728 nan 8.270 nan 0.000 0.464 953 G N 0.635 109.725 108.800 0.484 0.000 2.566 953 G HA2 0.036 4.003 3.960 0.012 0.000 0.138 953 G HA3 0.036 4.003 3.960 0.012 0.000 0.138 953 G C -1.770 173.298 174.900 0.280 0.000 1.133 953 G CA -0.371 44.982 45.100 0.422 0.000 1.037 953 G HN 0.486 nan 8.290 nan 0.000 0.491 954 D N 0.085 120.657 120.400 0.287 0.000 2.381 954 D HA 0.602 5.249 4.640 0.012 0.000 0.245 954 D C -0.702 175.643 176.300 0.076 0.000 1.297 954 D CA -0.465 53.584 54.000 0.081 0.000 0.931 954 D CB 0.209 41.075 40.800 0.110 0.000 1.334 954 D HN 0.551 nan 8.370 nan 0.000 0.535 955 F N -0.216 119.732 119.950 -0.004 0.000 2.869 955 F HA 0.715 5.250 4.527 0.013 0.000 0.325 955 F C -1.125 174.633 175.800 -0.070 0.000 1.184 955 F CA -1.040 56.892 58.000 -0.113 0.000 0.951 955 F CB 0.738 39.671 39.000 -0.112 0.000 1.421 955 F HN -0.162 nan 8.300 nan 0.000 0.501 956 Q N 1.435 121.311 119.800 0.127 0.000 2.348 956 Q HA 0.668 5.015 4.340 0.012 0.000 0.271 956 Q C -1.250 174.828 176.000 0.131 0.000 1.067 956 Q CA -0.547 55.249 55.803 -0.011 0.000 0.839 956 Q CB 2.713 31.341 28.738 -0.184 0.000 1.354 956 Q HN 0.856 nan 8.270 nan 0.000 0.447 957 F N -1.332 118.504 119.950 -0.191 0.000 2.686 957 F HA 0.746 5.281 4.527 0.013 0.000 0.311 957 F C -1.455 174.133 175.800 -0.353 0.000 1.128 957 F CA -1.150 56.703 58.000 -0.244 0.000 0.946 957 F CB 1.510 40.388 39.000 -0.203 0.000 1.336 957 F HN 0.561 nan 8.300 nan 0.000 0.457 958 N N 1.269 119.814 118.700 -0.259 0.000 2.284 958 N HA 0.741 5.488 4.740 0.012 0.000 0.289 958 N C -2.085 173.366 175.510 -0.099 0.000 1.179 958 N CA -0.739 52.127 53.050 -0.306 0.000 0.774 958 N CB 2.665 40.978 38.487 -0.291 0.000 1.548 958 N HN 1.134 nan 8.380 nan 0.000 0.473 959 I N 0.441 120.943 120.570 -0.114 0.000 2.649 959 I HA 0.667 4.845 4.170 0.012 0.000 0.289 959 I C -1.459 174.572 176.117 -0.144 0.000 1.222 959 I CA 0.051 61.254 61.300 -0.162 0.000 1.046 959 I CB 1.349 39.191 38.000 -0.264 0.000 1.272 959 I HN 1.063 nan 8.210 nan 0.000 0.425 960 S N 6.197 121.825 115.700 -0.119 0.000 2.655 960 S HA 0.502 4.979 4.470 0.012 0.000 0.266 960 S C -0.197 174.304 174.600 -0.166 0.000 1.149 960 S CA -0.971 57.147 58.200 -0.138 0.000 0.818 960 S CB 1.631 64.797 63.200 -0.057 0.000 1.130 960 S HN 0.630 nan 8.310 nan 0.000 0.476 961 R N -0.190 120.049 120.500 -0.434 0.000 2.320 961 R HA 0.246 4.594 4.340 0.012 0.000 0.211 961 R C -0.792 175.234 176.300 -0.457 0.000 0.931 961 R CA 0.360 56.185 56.100 -0.458 0.000 1.071 961 R CB -0.968 28.964 30.300 -0.612 0.000 1.025 961 R HN 0.666 nan 8.270 nan 0.000 0.495 962 Y N 0.319 120.604 120.300 -0.024 0.000 2.350 962 Y HA 0.202 4.759 4.550 0.012 0.000 0.338 962 Y C 0.683 176.358 175.900 -0.374 0.000 0.961 962 Y CA -1.132 56.862 58.100 -0.177 0.000 1.100 962 Y CB 1.475 39.769 38.460 -0.277 0.000 1.179 962 Y HN -0.100 nan 8.280 nan 0.000 0.454 963 S N 1.678 117.008 115.700 -0.616 0.000 2.593 963 S HA 0.051 4.528 4.470 0.012 0.000 0.269 963 S C 0.908 175.148 174.600 -0.600 0.000 1.334 963 S CA -0.789 56.649 58.200 -1.270 0.000 1.015 963 S CB 1.220 63.570 63.200 -1.416 0.000 0.912 963 S HN 0.724 nan 8.310 nan 0.000 0.541 964 Q N 0.831 120.307 119.800 -0.540 0.000 2.135 964 Q HA -0.224 4.123 4.340 0.012 0.000 0.204 964 Q C 2.201 178.052 176.000 -0.248 0.000 0.981 964 Q CA 1.970 57.598 55.803 -0.292 0.000 0.856 964 Q CB -0.561 28.035 28.738 -0.237 0.000 0.902 964 Q HN 0.967 nan 8.270 nan 0.000 0.425 965 Q N 0.574 120.192 119.800 -0.303 0.000 2.050 965 Q HA -0.232 4.115 4.340 0.012 0.000 0.202 965 Q C 2.162 178.047 176.000 -0.193 0.000 0.980 965 Q CA 1.729 57.412 55.803 -0.200 0.000 0.840 965 Q CB -0.016 28.616 28.738 -0.177 0.000 0.898 965 Q HN 0.424 nan 8.270 nan 0.000 0.424 966 Q N 0.013 119.666 119.800 -0.245 0.000 2.084 966 Q HA -0.175 4.173 4.340 0.012 0.000 0.202 966 Q C 2.178 178.035 176.000 -0.238 0.000 0.978 966 Q CA 1.394 57.059 55.803 -0.229 0.000 0.844 966 Q CB -0.102 28.465 28.738 -0.285 0.000 0.898 966 Q HN 0.485 nan 8.270 nan 0.000 0.426 967 L N 0.571 121.651 121.223 -0.238 0.000 2.083 967 L HA -0.201 4.147 4.340 0.012 0.000 0.209 967 L C 2.686 179.417 176.870 -0.232 0.000 1.083 967 L CA 1.433 56.131 54.840 -0.238 0.000 0.752 967 L CB -0.465 41.489 42.059 -0.175 0.000 0.899 967 L HN 0.491 nan 8.230 nan 0.000 0.433 968 M N -1.824 117.671 119.600 -0.175 0.000 2.492 968 M HA -0.061 4.426 4.480 0.012 0.000 0.262 968 M C 1.314 177.537 176.300 -0.128 0.000 1.090 968 M CA 1.557 56.773 55.300 -0.140 0.000 1.110 968 M CB -0.238 32.300 32.600 -0.103 0.000 1.407 968 M HN 0.084 nan 8.290 nan 0.000 0.470 969 E N 0.929 121.049 120.200 -0.133 0.000 2.474 969 E HA 0.132 4.489 4.350 0.012 0.000 0.195 969 E C -0.447 176.096 176.600 -0.095 0.000 1.039 969 E CA 0.009 56.353 56.400 -0.092 0.000 0.881 969 E CB 0.637 30.290 29.700 -0.078 0.000 0.970 969 E HN 0.398 nan 8.360 nan 0.000 0.486 970 T N 0.060 114.519 114.554 -0.158 0.000 2.797 970 T HA 0.111 4.468 4.350 0.012 0.000 0.279 970 T C 0.965 175.569 174.700 -0.160 0.000 0.991 970 T CA -0.529 61.480 62.100 -0.152 0.000 0.979 970 T CB 1.706 70.441 68.868 -0.222 0.000 0.943 970 T HN 0.003 nan 8.240 nan 0.000 0.444 971 S N 1.470 117.176 115.700 0.011 0.000 2.524 971 S HA 0.126 4.603 4.470 0.012 0.000 0.216 971 S C 0.191 174.872 174.600 0.134 0.000 0.987 971 S CA 0.115 58.409 58.200 0.156 0.000 0.909 971 S CB -0.199 63.236 63.200 0.392 0.000 0.781 971 S HN 0.736 nan 8.310 nan 0.000 0.521 972 H N 0.671 119.749 119.070 0.012 0.000 2.759 972 H HA 0.474 5.038 4.556 0.013 0.000 0.354 972 H C 0.903 176.204 175.328 -0.045 0.000 1.074 972 H CA -0.832 55.273 56.048 0.096 0.000 1.226 972 H CB 1.476 31.287 29.762 0.081 0.000 1.648 972 H HN 0.103 nan 8.280 nan 0.000 0.529 973 R N 1.948 122.562 120.500 0.191 0.000 2.127 973 R HA -0.176 4.171 4.340 0.012 0.000 0.238 973 R C 1.123 177.437 176.300 0.024 0.000 1.134 973 R CA 1.907 58.054 56.100 0.078 0.000 0.975 973 R CB -0.442 29.951 30.300 0.155 0.000 0.865 973 R HN 0.771 nan 8.270 nan 0.000 0.447 974 H N 0.936 120.013 119.070 0.012 0.000 2.546 974 H HA 0.044 4.607 4.556 0.012 0.000 0.277 974 H C 1.436 176.684 175.328 -0.134 0.000 1.004 974 H CA 0.676 56.688 56.048 -0.060 0.000 1.231 974 H CB -0.126 29.588 29.762 -0.079 0.000 1.382 974 H HN 0.315 nan 8.280 nan 0.000 0.580 975 L N 0.825 121.646 121.223 -0.669 0.000 2.592 975 L HA 0.217 4.565 4.340 0.012 0.000 0.227 975 L C 0.665 177.373 176.870 -0.269 0.000 1.127 975 L CA -0.146 54.385 54.840 -0.515 0.000 0.884 975 L CB 0.142 41.901 42.059 -0.501 0.000 1.065 975 L HN 0.051 nan 8.230 nan 0.000 0.457 976 L N 0.722 121.772 121.223 -0.288 0.000 2.452 976 L HA 0.155 4.502 4.340 0.012 0.000 0.267 976 L C 0.179 176.966 176.870 -0.137 0.000 1.188 976 L CA -0.113 54.507 54.840 -0.366 0.000 0.821 976 L CB 0.408 42.024 42.059 -0.739 0.000 1.102 976 L HN 0.203 nan 8.230 nan 0.000 0.470 977 H N 1.290 120.356 119.070 -0.007 0.000 2.679 977 H HA 0.594 5.157 4.556 0.013 0.000 0.360 977 H C -0.812 174.658 175.328 0.236 0.000 1.105 977 H CA -1.263 54.842 56.048 0.095 0.000 1.196 977 H CB 1.355 31.130 29.762 0.022 0.000 1.636 977 H HN 0.676 nan 8.280 nan 0.000 0.531 978 A N 3.600 126.594 122.820 0.290 0.000 2.520 978 A HA 0.090 4.418 4.320 0.012 0.000 0.245 978 A C 0.371 178.043 177.584 0.146 0.000 1.072 978 A CA -0.186 51.884 52.037 0.054 0.000 0.761 978 A CB -0.038 18.931 19.000 -0.052 0.000 1.004 978 A HN 0.837 nan 8.150 nan 0.000 0.499 979 E N 0.998 121.267 120.200 0.116 0.000 2.322 979 E HA 0.213 4.571 4.350 0.012 0.000 0.257 979 E C -0.030 176.613 176.600 0.072 0.000 1.155 979 E CA -0.649 55.865 56.400 0.191 0.000 0.936 979 E CB 0.776 30.674 29.700 0.331 0.000 1.130 979 E HN 0.807 nan 8.360 nan 0.000 0.465 980 E N 0.143 120.375 120.200 0.053 0.000 2.392 980 E HA 0.238 4.596 4.350 0.012 0.000 0.264 980 E C 0.264 176.814 176.600 -0.084 0.000 1.024 980 E CA 0.491 56.882 56.400 -0.016 0.000 0.903 980 E CB 0.406 30.091 29.700 -0.025 0.000 0.963 980 E HN 0.661 nan 8.360 nan 0.000 0.432 981 G N 2.455 111.208 108.800 -0.078 0.000 2.698 981 G HA2 -0.221 3.746 3.960 0.012 0.000 0.233 981 G HA3 -0.221 3.746 3.960 0.012 0.000 0.233 981 G C -0.630 174.200 174.900 -0.117 0.000 1.352 981 G CA -0.191 44.842 45.100 -0.112 0.000 0.879 981 G HN 0.626 nan 8.290 nan 0.000 0.567 982 T N 0.341 114.812 114.554 -0.138 0.000 2.841 982 T HA 0.506 4.863 4.350 0.012 0.000 0.285 982 T C -0.691 173.879 174.700 -0.217 0.000 0.991 982 T CA -0.137 61.897 62.100 -0.110 0.000 0.966 982 T CB 1.247 70.134 68.868 0.032 0.000 0.962 982 T HN 0.553 nan 8.240 nan 0.000 0.438 983 W N 3.358 124.568 121.300 -0.151 0.000 2.322 983 W HA 0.590 5.258 4.660 0.013 0.000 0.307 983 W C -0.253 176.137 176.519 -0.214 0.000 1.220 983 W CA -0.690 56.563 57.345 -0.153 0.000 1.210 983 W CB 0.690 30.071 29.460 -0.130 0.000 1.223 983 W HN 0.373 nan 8.180 nan 0.000 0.511 984 L N 5.643 126.870 121.223 0.007 0.000 2.333 984 L HA 0.526 4.874 4.340 0.012 0.000 0.280 984 L C -0.959 175.817 176.870 -0.156 0.000 1.004 984 L CA -0.443 54.278 54.840 -0.198 0.000 0.820 984 L CB 0.860 42.660 42.059 -0.431 0.000 1.247 984 L HN 0.318 nan 8.230 nan 0.000 0.416 985 N N 6.993 125.585 118.700 -0.180 0.000 2.442 985 N HA 0.487 5.234 4.740 0.012 0.000 0.274 985 N C -1.286 174.085 175.510 -0.232 0.000 1.002 985 N CA -0.225 52.717 53.050 -0.181 0.000 0.910 985 N CB 2.294 40.702 38.487 -0.133 0.000 1.244 985 N HN 0.557 nan 8.380 nan 0.000 0.492 986 I N 1.812 122.197 120.570 -0.309 0.000 2.411 986 I HA 0.231 4.408 4.170 0.012 0.000 0.284 986 I C -0.787 175.132 176.117 -0.330 0.000 1.012 986 I CA -0.629 60.451 61.300 -0.367 0.000 1.119 986 I CB 1.671 39.263 38.000 -0.681 0.000 1.261 986 I HN 0.164 nan 8.210 nan 0.000 0.448 987 D N 4.412 124.656 120.400 -0.259 0.000 2.192 987 D HA 0.294 4.942 4.640 0.012 0.000 0.246 987 D C 0.950 176.951 176.300 -0.499 0.000 1.042 987 D CA -0.224 53.557 54.000 -0.365 0.000 0.847 987 D CB 2.522 43.212 40.800 -0.184 0.000 1.186 987 D HN 0.684 nan 8.370 nan 0.000 0.461 988 G N 0.959 109.173 108.800 -0.978 0.000 2.408 988 G HA2 0.008 3.975 3.960 0.012 0.000 0.215 988 G HA3 0.008 3.975 3.960 0.012 0.000 0.215 988 G C 0.076 174.210 174.900 -1.278 0.000 1.156 988 G CA 0.500 44.902 45.100 -1.163 0.000 0.793 988 G HN 0.376 nan 8.290 nan 0.000 0.535 989 F N -1.974 117.789 119.950 -0.313 0.000 2.591 989 F HA 0.589 5.124 4.527 0.012 0.000 0.309 989 F C -0.584 175.105 175.800 -0.185 0.000 1.098 989 F CA -1.141 56.739 58.000 -0.200 0.000 0.937 989 F CB 2.172 40.963 39.000 -0.348 0.000 1.250 989 F HN 0.041 nan 8.300 nan 0.000 0.447 990 H N 2.044 121.113 119.070 -0.001 0.000 2.865 990 H HA 0.516 5.080 4.556 0.012 0.000 0.362 990 H C -0.890 174.459 175.328 0.036 0.000 1.114 990 H CA -0.854 55.170 56.048 -0.039 0.000 1.208 990 H CB 1.814 31.537 29.762 -0.065 0.000 1.727 990 H HN 0.776 nan 8.280 nan 0.000 0.534 991 M N 3.480 123.031 119.600 -0.083 0.000 2.245 991 M HA 0.288 4.776 4.480 0.012 0.000 0.330 991 M C 0.521 176.944 176.300 0.206 0.000 1.098 991 M CA 0.301 55.626 55.300 0.042 0.000 1.172 991 M CB 0.383 32.902 32.600 -0.135 0.000 1.467 991 M HN 0.842 nan 8.290 nan 0.000 0.454 992 G N 2.706 111.607 108.800 0.169 0.000 2.699 992 G HA2 0.278 4.245 3.960 0.012 0.000 0.246 992 G HA3 0.278 4.245 3.960 0.012 0.000 0.246 992 G C 0.582 175.479 174.900 -0.005 0.000 1.219 992 G CA -0.370 44.770 45.100 0.066 0.000 0.866 992 G HN 0.973 nan 8.290 nan 0.000 0.572 993 I N -1.864 118.650 120.570 -0.094 0.000 3.854 993 I HA 0.429 4.606 4.170 0.012 0.000 0.312 993 I C 1.157 177.208 176.117 -0.111 0.000 1.273 993 I CA 0.431 61.634 61.300 -0.162 0.000 1.298 993 I CB -0.507 37.290 38.000 -0.340 0.000 1.071 993 I HN 0.951 nan 8.210 nan 0.000 0.428 994 G N 1.510 110.268 108.800 -0.069 0.000 2.698 994 G HA2 0.057 4.025 3.960 0.012 0.000 0.233 994 G HA3 0.057 4.025 3.960 0.012 0.000 0.233 994 G C 0.523 175.410 174.900 -0.021 0.000 1.352 994 G CA 0.022 45.115 45.100 -0.012 0.000 0.879 994 G HN 1.371 nan 8.290 nan 0.000 0.567 995 G N -2.286 106.516 108.800 0.003 0.000 2.559 995 G HA2 0.025 3.993 3.960 0.012 0.000 0.202 995 G HA3 0.025 3.993 3.960 0.012 0.000 0.202 995 G C 0.605 175.553 174.900 0.080 0.000 0.992 995 G CA 0.958 46.065 45.100 0.013 0.000 0.764 995 G HN 0.943 nan 8.290 nan 0.000 0.525 996 D N 1.203 121.670 120.400 0.112 0.000 2.221 996 D HA 0.125 4.772 4.640 0.012 0.000 0.204 996 D C 1.033 177.356 176.300 0.039 0.000 0.982 996 D CA 2.055 56.185 54.000 0.218 0.000 0.857 996 D CB 0.195 41.124 40.800 0.216 0.000 0.934 996 D HN 0.801 nan 8.370 nan 0.000 0.475 997 D N -3.407 116.821 120.400 -0.288 0.000 2.665 997 D HA 0.300 4.947 4.640 0.012 0.000 0.287 997 D C -0.809 174.977 176.300 -0.856 0.000 1.266 997 D CA -0.718 52.704 54.000 -0.963 0.000 0.830 997 D CB 0.814 40.560 40.800 -1.755 0.000 1.356 997 D HN -0.308 nan 8.370 nan 0.000 0.437 998 S N -0.598 114.406 115.700 -1.161 0.000 2.624 998 S HA 0.271 4.748 4.470 0.012 0.000 0.246 998 S C -0.629 174.014 174.600 0.072 0.000 1.072 998 S CA -0.634 57.405 58.200 -0.269 0.000 1.045 998 S CB -0.532 62.743 63.200 0.124 0.000 0.851 998 S HN 0.615 nan 8.310 nan 0.000 0.480 999 W N -1.020 120.217 121.300 -0.105 0.000 1.807 999 W HA 0.617 5.284 4.660 0.012 0.000 0.251 999 W C -0.066 176.400 176.519 -0.089 0.000 0.848 999 W CA -0.517 56.768 57.345 -0.099 0.000 1.157 999 W CB -0.040 29.291 29.460 -0.215 0.000 0.992 999 W HN 0.114 nan 8.180 nan 0.000 0.506 1000 S N 1.285 116.882 115.700 -0.172 0.000 2.575 1000 S HA 0.524 5.001 4.470 0.012 0.000 0.278 1000 S C -2.755 171.785 174.600 -0.101 0.000 1.139 1000 S CA -1.325 56.820 58.200 -0.091 0.000 0.954 1000 S CB 1.065 64.223 63.200 -0.069 0.000 1.054 1000 S HN -0.257 nan 8.310 nan 0.000 0.483 1001 P HA 0.013 nan 4.420 nan 0.000 0.257 1001 P C -0.033 177.304 177.300 0.063 0.000 1.162 1001 P CA 0.480 63.582 63.100 0.003 0.000 0.762 1001 P CB 0.377 31.951 31.700 -0.211 0.000 0.753 1002 S N 0.754 116.531 115.700 0.129 0.000 2.733 1002 S HA 0.130 4.607 4.470 0.012 0.000 0.247 1002 S C 0.245 174.934 174.600 0.149 0.000 1.043 1002 S CA -0.327 57.927 58.200 0.089 0.000 1.066 1002 S CB -0.202 63.001 63.200 0.005 0.000 1.045 1002 S HN 0.117 nan 8.310 nan 0.000 0.586 1003 V N 2.977 123.033 119.914 0.237 0.000 2.470 1003 V HA 0.328 4.456 4.120 0.012 0.000 0.276 1003 V C 0.851 177.111 176.094 0.276 0.000 1.040 1003 V CA -0.222 62.212 62.300 0.223 0.000 1.008 1003 V CB 0.840 32.759 31.823 0.160 0.000 0.990 1003 V HN 0.513 nan 8.190 nan 0.000 0.477 1004 S N 4.035 119.906 115.700 0.284 0.000 2.568 1004 S HA 0.281 4.758 4.470 0.012 0.000 0.282 1004 S C 1.539 176.288 174.600 0.249 0.000 1.338 1004 S CA 0.061 58.420 58.200 0.265 0.000 1.045 1004 S CB 1.099 64.488 63.200 0.315 0.000 0.873 1004 S HN 0.991 nan 8.310 nan 0.000 0.516 1005 A N 3.461 126.381 122.820 0.167 0.000 1.948 1005 A HA -0.146 4.181 4.320 0.012 0.000 0.220 1005 A C 2.014 179.635 177.584 0.062 0.000 1.177 1005 A CA 1.832 53.953 52.037 0.140 0.000 0.636 1005 A CB -0.644 18.413 19.000 0.095 0.000 0.815 1005 A HN 0.957 nan 8.150 nan 0.000 0.449 1006 E N -0.893 119.281 120.200 -0.043 0.000 2.409 1006 E HA -0.116 4.242 4.350 0.012 0.000 0.198 1006 E C 0.671 177.033 176.600 -0.397 0.000 1.024 1006 E CA 0.721 56.977 56.400 -0.239 0.000 0.861 1006 E CB -0.409 29.077 29.700 -0.357 0.000 0.788 1006 E HN 0.670 nan 8.360 nan 0.000 0.521 1007 F N 1.165 121.172 119.950 0.094 0.000 2.653 1007 F HA 0.282 4.816 4.527 0.012 0.000 0.304 1007 F C 0.791 176.639 175.800 0.079 0.000 1.092 1007 F CA -0.482 57.575 58.000 0.095 0.000 1.279 1007 F CB 0.534 39.591 39.000 0.094 0.000 1.044 1007 F HN -0.184 nan 8.300 nan 0.000 0.564 1008 Q N 1.057 120.969 119.800 0.186 0.000 2.222 1008 Q HA 0.424 4.772 4.340 0.012 0.000 0.252 1008 Q C -0.208 175.834 176.000 0.070 0.000 0.926 1008 Q CA -0.559 55.336 55.803 0.153 0.000 0.899 1008 Q CB 1.980 30.898 28.738 0.300 0.000 1.250 1008 Q HN 0.231 nan 8.270 nan 0.000 0.441 1009 L N 2.489 123.741 121.223 0.048 0.000 2.399 1009 L HA 0.120 4.467 4.340 0.012 0.000 0.257 1009 L C 0.446 177.302 176.870 -0.024 0.000 1.236 1009 L CA -0.036 54.827 54.840 0.039 0.000 1.144 1009 L CB -0.304 41.676 42.059 -0.132 0.000 1.379 1009 L HN 0.705 nan 8.230 nan 0.000 0.414 1010 S N -1.285 114.299 115.700 -0.194 0.000 2.602 1010 S HA 0.168 4.645 4.470 0.012 0.000 0.240 1010 S C 1.572 176.076 174.600 -0.160 0.000 0.992 1010 S CA 0.133 58.023 58.200 -0.516 0.000 0.971 1010 S CB 0.816 63.552 63.200 -0.774 0.000 0.855 1010 S HN 0.510 nan 8.310 nan 0.000 0.481 1011 A N 1.530 124.288 122.820 -0.103 0.000 2.067 1011 A HA 0.441 4.768 4.320 0.012 0.000 0.219 1011 A C 2.092 179.513 177.584 -0.272 0.000 1.158 1011 A CA 1.317 53.161 52.037 -0.321 0.000 0.661 1011 A CB -1.185 17.397 19.000 -0.697 0.000 0.801 1011 A HN 1.489 nan 8.150 nan 0.000 0.452 1012 G N -1.637 107.094 108.800 -0.114 0.000 2.579 1012 G HA2 -0.270 3.697 3.960 0.012 0.000 0.222 1012 G HA3 -0.270 3.697 3.960 0.012 0.000 0.222 1012 G C 0.415 175.292 174.900 -0.039 0.000 1.201 1012 G CA 0.376 45.461 45.100 -0.025 0.000 0.710 1012 G HN 0.686 nan 8.290 nan 0.000 0.516 1013 R N -0.478 119.881 120.500 -0.234 0.000 2.561 1013 R HA 0.725 5.073 4.340 0.012 0.000 0.297 1013 R C -1.560 174.486 176.300 -0.423 0.000 0.969 1013 R CA -0.522 55.484 56.100 -0.156 0.000 0.879 1013 R CB 1.528 31.778 30.300 -0.084 0.000 1.178 1013 R HN 0.281 nan 8.270 nan 0.000 0.445 1014 Y N 0.419 120.713 120.300 -0.010 0.000 2.492 1014 Y HA 0.346 4.903 4.550 0.012 0.000 0.346 1014 Y C -0.584 175.457 175.900 0.235 0.000 0.997 1014 Y CA -0.822 57.240 58.100 -0.064 0.000 1.025 1014 Y CB 2.223 40.533 38.460 -0.250 0.000 1.263 1014 Y HN 0.590 nan 8.280 nan 0.000 0.454 1015 H N 2.996 122.330 119.070 0.440 0.000 2.600 1015 H HA 0.620 5.184 4.556 0.012 0.000 0.357 1015 H C -1.720 174.002 175.328 0.657 0.000 1.106 1015 H CA -0.874 55.425 56.048 0.418 0.000 1.193 1015 H CB 1.165 31.068 29.762 0.236 0.000 1.594 1015 H HN 0.580 nan 8.280 nan 0.000 0.526 1016 Y N 2.025 122.126 120.300 -0.333 0.000 2.597 1016 Y HA 0.508 5.066 4.550 0.013 0.000 0.340 1016 Y C -1.670 174.035 175.900 -0.324 0.000 1.097 1016 Y CA -1.157 56.827 58.100 -0.193 0.000 1.037 1016 Y CB 1.554 40.000 38.460 -0.022 0.000 1.305 1016 Y HN 0.760 nan 8.280 nan 0.000 0.463 1017 Q N 2.354 122.169 119.800 0.025 0.000 2.345 1017 Q HA 0.774 5.122 4.340 0.012 0.000 0.275 1017 Q C -2.546 173.548 176.000 0.158 0.000 1.063 1017 Q CA -0.607 55.197 55.803 0.003 0.000 0.819 1017 Q CB 2.553 31.337 28.738 0.078 0.000 1.356 1017 Q HN 0.900 nan 8.270 nan 0.000 0.418 1018 L N 2.399 123.702 121.223 0.133 0.000 2.409 1018 L HA 0.772 5.119 4.340 0.012 0.000 0.262 1018 L C -1.116 175.880 176.870 0.210 0.000 0.992 1018 L CA -1.277 53.677 54.840 0.190 0.000 0.817 1018 L CB 2.611 44.763 42.059 0.155 0.000 1.350 1018 L HN 0.493 nan 8.230 nan 0.000 0.411 1019 V N 1.009 121.069 119.914 0.244 0.000 2.448 1019 V HA 0.408 4.536 4.120 0.012 0.000 0.295 1019 V C -1.198 175.080 176.094 0.307 0.000 1.025 1019 V CA -0.408 62.041 62.300 0.248 0.000 0.859 1019 V CB 1.977 33.919 31.823 0.198 0.000 0.988 1019 V HN 0.619 nan 8.190 nan 0.000 0.431 1020 W N 7.071 128.435 121.300 0.107 0.000 2.475 1020 W HA 0.711 5.378 4.660 0.013 0.000 0.317 1020 W C -0.285 176.238 176.519 0.006 0.000 1.046 1020 W CA -1.203 56.121 57.345 -0.034 0.000 1.215 1020 W CB 1.434 30.915 29.460 0.035 0.000 1.335 1020 W HN 0.856 nan 8.180 nan 0.000 0.471 1021 C N 4.680 124.200 119.300 0.366 0.000 3.318 1021 C HA 0.735 5.203 4.460 0.012 0.000 0.329 1021 C C -0.566 174.545 174.990 0.201 0.000 1.449 1021 C CA -0.765 58.411 59.018 0.264 0.000 1.397 1021 C CB 1.796 29.639 27.740 0.171 0.000 1.810 1021 C HN 0.732 nan 8.230 nan 0.000 0.449 1022 Q N 1.276 121.146 119.800 0.116 0.000 2.297 1022 Q HA 0.784 5.132 4.340 0.012 0.000 0.268 1022 Q C -1.179 174.822 176.000 0.002 0.000 1.045 1022 Q CA -0.194 55.624 55.803 0.024 0.000 0.861 1022 Q CB 2.099 30.824 28.738 -0.022 0.000 1.344 1022 Q HN 0.962 nan 8.270 nan 0.000 0.452 1023 K N 0.000 120.376 120.400 -0.041 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 1023 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543