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 1jz8_1_D 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 0.000 176.063 176.300 -0.395 0.000 0.893 13 R CA 0.000 55.955 56.100 -0.242 0.000 0.921 13 R CB 0.000 30.156 30.300 -0.240 0.000 0.687 14 R N 1.377 121.543 120.500 -0.556 0.000 3.436 14 R HA 0.145 4.493 4.340 0.014 0.000 0.247 14 R C -0.163 175.564 176.300 -0.954 0.000 1.434 14 R CA -0.374 55.004 56.100 -1.203 0.000 1.543 14 R CB 0.265 30.007 30.300 -0.931 0.000 1.289 14 R HN 0.495 nan 8.270 nan 0.000 0.664 15 D N 1.029 121.048 120.400 -0.634 0.000 2.311 15 D HA -0.180 4.469 4.640 0.014 0.000 0.212 15 D C 1.283 177.468 176.300 -0.191 0.000 0.972 15 D CA 1.127 54.864 54.000 -0.438 0.000 0.887 15 D CB 0.159 40.536 40.800 -0.706 0.000 0.915 15 D HN 0.646 nan 8.370 nan 0.000 0.497 16 W N 1.123 122.436 121.300 0.021 0.000 3.292 16 W HA 0.233 4.902 4.660 0.014 0.000 0.263 16 W C 0.394 177.007 176.519 0.157 0.000 1.318 16 W CA -0.326 57.138 57.345 0.198 0.000 1.663 16 W CB -0.204 29.425 29.460 0.281 0.000 1.114 16 W HN -0.209 nan 8.180 nan 0.000 0.706 17 E N 1.385 121.460 120.200 -0.208 0.000 3.385 17 E HA 0.070 4.428 4.350 0.014 0.000 0.206 17 E C -0.813 175.642 176.600 -0.241 0.000 0.997 17 E CA -0.232 56.078 56.400 -0.150 0.000 1.278 17 E CB -0.180 29.433 29.700 -0.146 0.000 1.165 17 E HN 0.028 nan 8.360 nan 0.000 0.452 18 N N 0.986 119.576 118.700 -0.182 0.000 2.655 18 N HA 0.121 4.870 4.740 0.014 0.000 0.277 18 N C -2.496 172.882 175.510 -0.219 0.000 1.177 18 N CA -1.742 51.166 53.050 -0.236 0.000 0.882 18 N CB 1.499 39.855 38.487 -0.218 0.000 1.481 18 N HN -0.169 nan 8.380 nan 0.000 0.547 19 P HA 0.123 nan 4.420 nan 0.000 0.237 19 P C 1.067 178.136 177.300 -0.386 0.000 1.178 19 P CA 0.494 63.290 63.100 -0.506 0.000 0.766 19 P CB 0.133 31.084 31.700 -1.248 0.000 0.876 20 G N -0.400 108.216 108.800 -0.307 0.000 2.623 20 G HA2 0.041 4.010 3.960 0.014 0.000 0.214 20 G HA3 0.041 4.010 3.960 0.014 0.000 0.214 20 G C 0.288 175.110 174.900 -0.129 0.000 1.138 20 G CA 0.204 45.174 45.100 -0.216 0.000 0.794 20 G HN 0.205 nan 8.290 nan 0.000 0.535 21 V N 1.785 121.639 119.914 -0.099 0.000 2.304 21 V HA 0.284 4.413 4.120 0.014 0.000 0.278 21 V C 0.863 177.010 176.094 0.088 0.000 1.018 21 V CA 0.125 62.415 62.300 -0.017 0.000 0.814 21 V CB 1.161 32.952 31.823 -0.053 0.000 1.021 21 V HN 0.328 nan 8.190 nan 0.000 0.440 22 T N 0.740 115.345 114.554 0.085 0.000 3.054 22 T HA 0.367 4.725 4.350 0.014 0.000 0.255 22 T C 0.246 175.009 174.700 0.105 0.000 1.035 22 T CA 0.025 62.189 62.100 0.106 0.000 0.941 22 T CB 0.228 69.107 68.868 0.020 0.000 1.026 22 T HN 0.700 nan 8.240 nan 0.000 0.533 23 Q N 0.144 120.052 119.800 0.181 0.000 2.721 23 Q HA 0.661 5.009 4.340 0.014 0.000 0.282 23 Q C -2.244 173.902 176.000 0.244 0.000 0.932 23 Q CA -1.037 54.868 55.803 0.170 0.000 0.816 23 Q CB 0.813 29.568 28.738 0.028 0.000 1.506 23 Q HN 0.211 nan 8.270 nan 0.000 0.399 24 L N 1.736 123.135 121.223 0.293 0.000 2.438 24 L HA 0.622 4.971 4.340 0.014 0.000 0.270 24 L C -0.574 176.430 176.870 0.223 0.000 0.972 24 L CA -0.912 54.096 54.840 0.279 0.000 0.831 24 L CB 1.921 44.259 42.059 0.465 0.000 1.273 24 L HN 0.850 nan 8.230 nan 0.000 0.405 25 N N 0.916 119.714 118.700 0.162 0.000 2.782 25 N HA -0.202 4.547 4.740 0.014 0.000 0.251 25 N C 0.097 175.699 175.510 0.152 0.000 1.101 25 N CA 0.805 53.938 53.050 0.138 0.000 0.764 25 N CB -0.797 37.724 38.487 0.057 0.000 1.122 25 N HN 0.653 nan 8.380 nan 0.000 0.561 26 R N 0.854 121.368 120.500 0.025 0.000 2.441 26 R HA 0.431 4.779 4.340 0.014 0.000 0.284 26 R C 0.541 176.709 176.300 -0.220 0.000 1.070 26 R CA -0.419 55.489 56.100 -0.321 0.000 1.047 26 R CB 0.599 30.705 30.300 -0.323 0.000 1.016 26 R HN 0.114 nan 8.270 nan 0.000 0.477 27 L N 2.819 123.875 121.223 -0.279 0.000 2.466 27 L HA 0.302 4.650 4.340 0.014 0.000 0.257 27 L C 0.690 177.507 176.870 -0.088 0.000 1.189 27 L CA -0.542 54.226 54.840 -0.119 0.000 0.813 27 L CB 0.722 42.737 42.059 -0.073 0.000 1.118 27 L HN 0.761 nan 8.230 nan 0.000 0.471 28 A N 1.185 123.994 122.820 -0.018 0.000 2.466 28 A HA 0.510 4.838 4.320 0.014 0.000 0.238 28 A C 0.258 177.859 177.584 0.028 0.000 1.074 28 A CA 0.058 52.096 52.037 0.001 0.000 0.774 28 A CB 0.197 19.219 19.000 0.038 0.000 1.015 28 A HN 0.796 nan 8.150 nan 0.000 0.498 29 A N 0.962 123.752 122.820 -0.050 0.000 2.287 29 A HA 0.745 5.074 4.320 0.014 0.000 0.273 29 A C 0.033 177.534 177.584 -0.138 0.000 1.091 29 A CA 0.387 52.318 52.037 -0.177 0.000 0.817 29 A CB 0.083 18.961 19.000 -0.203 0.000 1.069 29 A HN 1.960 nan 8.150 nan 0.000 0.492 30 H N -2.910 116.005 119.070 -0.258 0.000 2.935 30 H HA 0.596 5.161 4.556 0.014 0.000 0.297 30 H C -3.431 171.607 175.328 -0.483 0.000 1.423 30 H CA -1.685 54.147 56.048 -0.359 0.000 1.161 30 H CB 0.035 29.484 29.762 -0.521 0.000 1.841 30 H HN 0.381 nan 8.280 nan 0.000 0.506 31 P HA 0.235 nan 4.420 nan 0.000 0.274 31 P C -2.597 174.516 177.300 -0.311 0.000 1.246 31 P CA -1.411 61.469 63.100 -0.368 0.000 0.795 31 P CB -0.084 31.331 31.700 -0.475 0.000 1.006 32 P HA 0.071 nan 4.420 nan 0.000 0.264 32 P C -0.878 176.617 177.300 0.325 0.000 1.193 32 P CA 0.966 64.089 63.100 0.038 0.000 0.763 32 P CB -0.017 31.753 31.700 0.115 0.000 0.810 33 F N 1.584 121.636 119.950 0.170 0.000 2.556 33 F HA 0.625 5.161 4.527 0.014 0.000 0.327 33 F C 0.904 176.632 175.800 -0.121 0.000 1.059 33 F CA -1.490 56.556 58.000 0.076 0.000 0.953 33 F CB 1.376 40.382 39.000 0.011 0.000 1.227 33 F HN 0.289 nan 8.300 nan 0.000 0.478 34 A N 0.127 122.859 122.820 -0.146 0.000 2.548 34 A HA 0.340 4.668 4.320 0.014 0.000 0.236 34 A C 0.705 178.000 177.584 -0.482 0.000 1.246 34 A CA 0.606 52.309 52.037 -0.556 0.000 0.993 34 A CB -0.244 17.849 19.000 -1.511 0.000 1.209 34 A HN 0.834 nan 8.150 nan 0.000 0.570 35 S N 0.256 115.791 115.700 -0.275 0.000 3.550 35 S HA -0.145 4.334 4.470 0.014 0.000 0.372 35 S C -0.034 174.512 174.600 -0.090 0.000 0.966 35 S CA 0.390 58.478 58.200 -0.187 0.000 1.229 35 S CB -1.561 61.520 63.200 -0.199 0.000 0.917 35 S HN 0.490 nan 8.310 nan 0.000 0.496 36 W N 1.424 122.711 121.300 -0.021 0.000 2.193 36 W HA 0.218 4.886 4.660 0.014 0.000 0.338 36 W C 1.294 177.804 176.519 -0.015 0.000 1.310 36 W CA -0.442 56.901 57.345 -0.003 0.000 1.243 36 W CB 0.250 29.706 29.460 -0.008 0.000 1.165 36 W HN 0.310 nan 8.180 nan 0.000 0.566 37 R N 2.067 122.713 120.500 0.242 0.000 2.577 37 R HA 0.087 4.436 4.340 0.014 0.000 0.344 37 R C -0.085 176.288 176.300 0.122 0.000 1.037 37 R CA -0.135 56.050 56.100 0.141 0.000 1.102 37 R CB -0.182 30.183 30.300 0.109 0.000 1.313 37 R HN 0.353 nan 8.270 nan 0.000 0.561 38 N N 0.024 118.809 118.700 0.143 0.000 2.454 38 N HA 0.115 4.863 4.740 0.014 0.000 0.291 38 N C -0.104 175.394 175.510 -0.021 0.000 1.079 38 N CA -0.006 53.079 53.050 0.057 0.000 0.893 38 N CB 1.815 40.337 38.487 0.058 0.000 1.512 38 N HN -0.259 nan 8.380 nan 0.000 0.497 39 S N 2.241 117.907 115.700 -0.057 0.000 2.399 39 S HA -0.161 4.317 4.470 0.014 0.000 0.231 39 S C 1.396 175.844 174.600 -0.252 0.000 1.022 39 S CA 1.180 59.300 58.200 -0.134 0.000 0.983 39 S CB 0.041 63.190 63.200 -0.085 0.000 0.803 39 S HN 0.744 nan 8.310 nan 0.000 0.480 40 E N 1.537 121.607 120.200 -0.216 0.000 2.107 40 E HA -0.115 4.244 4.350 0.014 0.000 0.191 40 E C 1.866 178.275 176.600 -0.319 0.000 0.982 40 E CA 1.047 57.279 56.400 -0.280 0.000 0.809 40 E CB -0.129 29.460 29.700 -0.185 0.000 0.756 40 E HN 0.277 nan 8.360 nan 0.000 0.459 41 E N 0.276 120.318 120.200 -0.263 0.000 2.072 41 E HA -0.132 4.226 4.350 0.014 0.000 0.191 41 E C 2.009 178.126 176.600 -0.806 0.000 0.985 41 E CA 1.137 57.362 56.400 -0.292 0.000 0.801 41 E CB -0.521 29.167 29.700 -0.021 0.000 0.750 41 E HN 0.385 nan 8.360 nan 0.000 0.452 42 A N 1.639 123.768 122.820 -1.152 0.000 1.902 42 A HA -0.197 4.132 4.320 0.014 0.000 0.217 42 A C 2.240 179.207 177.584 -1.029 0.000 1.181 42 A CA 1.664 52.613 52.037 -1.813 0.000 0.623 42 A CB -0.508 17.895 19.000 -0.995 0.000 0.818 42 A HN 0.142 nan 8.150 nan 0.000 0.443 43 R N -0.151 119.942 120.500 -0.677 0.000 2.081 43 R HA -0.138 4.211 4.340 0.014 0.000 0.235 43 R C 1.941 177.970 176.300 -0.452 0.000 1.131 43 R CA 2.106 57.853 56.100 -0.588 0.000 0.960 43 R CB -0.487 29.332 30.300 -0.802 0.000 0.856 43 R HN 0.615 nan 8.270 nan 0.000 0.436 44 T N -2.672 111.640 114.554 -0.403 0.000 3.129 44 T HA 0.051 4.409 4.350 0.014 0.000 0.251 44 T C 0.264 174.872 174.700 -0.154 0.000 1.117 44 T CA 0.543 62.500 62.100 -0.238 0.000 1.034 44 T CB 0.053 68.812 68.868 -0.183 0.000 0.968 44 T HN 0.385 nan 8.240 nan 0.000 0.526 45 D N 0.627 120.891 120.400 -0.226 0.000 2.945 45 D HA -0.160 4.488 4.640 0.014 0.000 0.225 45 D C 0.131 176.552 176.300 0.202 0.000 1.158 45 D CA 0.501 54.514 54.000 0.022 0.000 0.805 45 D CB -1.033 39.824 40.800 0.096 0.000 1.098 45 D HN 0.595 nan 8.370 nan 0.000 0.426 46 R N -0.089 120.505 120.500 0.158 0.000 2.583 46 R HA 0.518 4.867 4.340 0.014 0.000 0.268 46 R C -2.133 174.436 176.300 0.449 0.000 1.101 46 R CA -1.351 54.890 56.100 0.235 0.000 1.180 46 R CB 0.155 30.531 30.300 0.126 0.000 1.128 46 R HN 0.050 nan 8.270 nan 0.000 0.568 47 P HA -0.016 nan 4.420 nan 0.000 0.269 47 P C -0.861 176.584 177.300 0.241 0.000 1.215 47 P CA 0.175 63.410 63.100 0.225 0.000 0.780 47 P CB 0.810 32.593 31.700 0.137 0.000 0.898 48 S N 0.990 116.704 115.700 0.024 0.000 2.454 48 S HA 0.146 4.625 4.470 0.014 0.000 0.306 48 S C 0.832 175.450 174.600 0.030 0.000 1.100 48 S CA -0.474 57.687 58.200 -0.065 0.000 1.087 48 S CB 0.508 63.410 63.200 -0.496 0.000 1.019 48 S HN 0.314 nan 8.310 nan 0.000 0.480 49 Q N 2.072 121.933 119.800 0.102 0.000 2.488 49 Q HA -0.002 4.346 4.340 0.014 0.000 0.211 49 Q C 0.964 177.112 176.000 0.247 0.000 0.967 49 Q CA 0.674 56.564 55.803 0.145 0.000 0.926 49 Q CB 0.126 28.953 28.738 0.148 0.000 0.992 49 Q HN 0.673 nan 8.270 nan 0.000 0.506 50 Q N -0.076 119.835 119.800 0.186 0.000 2.403 50 Q HA 0.070 4.419 4.340 0.014 0.000 0.203 50 Q C -0.161 175.931 176.000 0.152 0.000 0.932 50 Q CA 0.257 56.196 55.803 0.227 0.000 0.945 50 Q CB 0.392 29.154 28.738 0.040 0.000 1.045 50 Q HN 0.134 nan 8.270 nan 0.000 0.511 51 L N 0.689 121.974 121.223 0.105 0.000 2.372 51 L HA 0.411 4.760 4.340 0.014 0.000 0.273 51 L C -1.110 175.823 176.870 0.105 0.000 0.989 51 L CA -0.289 54.589 54.840 0.063 0.000 0.841 51 L CB 1.311 43.327 42.059 -0.072 0.000 1.225 51 L HN -0.172 nan 8.230 nan 0.000 0.414 52 R N 2.478 123.065 120.500 0.145 0.000 2.670 52 R HA 0.623 4.972 4.340 0.014 0.000 0.289 52 R C -0.767 175.564 176.300 0.052 0.000 0.965 52 R CA -0.732 55.427 56.100 0.098 0.000 0.899 52 R CB 2.188 32.555 30.300 0.111 0.000 1.173 52 R HN 0.677 nan 8.270 nan 0.000 0.456 53 S N 1.984 117.706 115.700 0.037 0.000 2.554 53 S HA 0.296 4.774 4.470 0.014 0.000 0.278 53 S C 0.587 175.207 174.600 0.034 0.000 1.242 53 S CA -0.616 57.600 58.200 0.027 0.000 1.051 53 S CB 0.571 63.794 63.200 0.038 0.000 0.986 53 S HN 0.550 nan 8.310 nan 0.000 0.502 54 L N 3.446 124.694 121.223 0.041 0.000 2.818 54 L HA 0.296 4.645 4.340 0.014 0.000 0.243 54 L C 0.127 177.176 176.870 0.298 0.000 1.185 54 L CA -0.410 54.493 54.840 0.106 0.000 0.988 54 L CB -0.388 41.715 42.059 0.073 0.000 1.292 54 L HN 0.510 nan 8.230 nan 0.000 0.519 55 N N 1.448 120.257 118.700 0.182 0.000 2.441 55 N HA 0.441 5.190 4.740 0.014 0.000 0.251 55 N C 0.678 176.324 175.510 0.226 0.000 1.242 55 N CA 1.024 54.180 53.050 0.177 0.000 0.898 55 N CB 1.212 39.738 38.487 0.065 0.000 1.100 55 N HN 0.318 nan 8.380 nan 0.000 0.443 56 G N 0.580 109.533 108.800 0.256 0.000 2.288 56 G HA2 -0.078 3.891 3.960 0.014 0.000 0.227 56 G HA3 -0.078 3.891 3.960 0.014 0.000 0.227 56 G C -1.574 173.537 174.900 0.352 0.000 1.339 56 G CA -0.792 44.447 45.100 0.233 0.000 1.057 56 G HN 0.469 nan 8.290 nan 0.000 0.470 57 E N 0.100 120.472 120.200 0.287 0.000 2.194 57 E HA 0.458 4.816 4.350 0.014 0.000 0.284 57 E C -0.966 175.881 176.600 0.413 0.000 1.035 57 E CA -0.157 56.434 56.400 0.318 0.000 0.836 57 E CB 1.097 30.901 29.700 0.174 0.000 1.070 57 E HN 0.353 nan 8.360 nan 0.000 0.401 58 W N 1.647 123.044 121.300 0.162 0.000 2.804 58 W HA 0.401 5.070 4.660 0.014 0.000 0.352 58 W C 0.270 176.921 176.519 0.221 0.000 1.153 58 W CA -0.738 56.735 57.345 0.213 0.000 1.119 58 W CB 0.775 30.424 29.460 0.314 0.000 1.448 58 W HN 0.184 nan 8.180 nan 0.000 0.600 59 R N 1.338 122.124 120.500 0.476 0.000 2.474 59 R HA 0.614 4.963 4.340 0.014 0.000 0.295 59 R C -1.497 175.054 176.300 0.419 0.000 0.980 59 R CA -0.903 55.411 56.100 0.357 0.000 0.934 59 R CB 1.497 31.949 30.300 0.254 0.000 1.101 59 R HN 0.474 nan 8.270 nan 0.000 0.469 60 F N 0.273 120.262 119.950 0.064 0.000 2.591 60 F HA 0.641 5.177 4.527 0.014 0.000 0.309 60 F C -1.585 174.055 175.800 -0.266 0.000 1.098 60 F CA -0.627 57.262 58.000 -0.185 0.000 0.937 60 F CB 2.021 40.803 39.000 -0.362 0.000 1.250 60 F HN 0.625 nan 8.300 nan 0.000 0.447 61 A N 4.148 126.176 122.820 -1.320 0.000 2.449 61 A HA 0.606 4.934 4.320 0.014 0.000 0.302 61 A C -2.430 174.150 177.584 -1.673 0.000 1.048 61 A CA -0.553 50.794 52.037 -1.150 0.000 0.708 61 A CB 0.830 19.428 19.000 -0.671 0.000 1.274 61 A HN 0.958 nan 8.150 nan 0.000 0.410 62 W N 2.451 122.865 121.300 -1.476 0.000 2.520 62 W HA 0.754 5.423 4.660 0.014 0.000 0.323 62 W C -1.878 173.968 176.519 -1.123 0.000 1.062 62 W CA -0.429 56.191 57.345 -1.208 0.000 1.215 62 W CB 1.086 30.121 29.460 -0.708 0.000 1.340 62 W HN 0.493 nan 8.180 nan 0.000 0.516 63 F N 6.064 125.315 119.950 -1.166 0.000 2.588 63 F HA 0.387 4.922 4.527 0.014 0.000 0.314 63 F C -1.261 173.658 175.800 -1.469 0.000 1.069 63 F CA -2.260 55.176 58.000 -0.939 0.000 0.931 63 F CB 1.888 40.504 39.000 -0.640 0.000 1.260 63 F HN 0.212 nan 8.300 nan 0.000 0.465 64 P HA 0.113 nan 4.420 nan 0.000 0.229 64 P C -0.357 176.804 177.300 -0.233 0.000 1.160 64 P CA 0.860 63.682 63.100 -0.463 0.000 0.777 64 P CB 0.710 32.422 31.700 0.020 0.000 0.814 65 A N -0.507 122.189 122.820 -0.206 0.000 2.608 65 A HA 0.526 4.854 4.320 0.014 0.000 0.292 65 A C -2.456 175.017 177.584 -0.184 0.000 1.066 65 A CA -1.001 50.962 52.037 -0.124 0.000 0.676 65 A CB 0.514 19.508 19.000 -0.011 0.000 1.277 65 A HN -0.290 nan 8.150 nan 0.000 0.413 66 P HA -0.073 nan 4.420 nan 0.000 0.221 66 P C 0.704 177.914 177.300 -0.152 0.000 1.150 66 P CA 1.345 64.314 63.100 -0.218 0.000 0.800 66 P CB 0.243 31.777 31.700 -0.276 0.000 0.787 67 E N 0.375 120.541 120.200 -0.057 0.000 2.267 67 E HA -0.095 4.264 4.350 0.014 0.000 0.197 67 E C 2.043 178.562 176.600 -0.134 0.000 0.998 67 E CA 1.378 57.750 56.400 -0.047 0.000 0.830 67 E CB -0.934 28.774 29.700 0.012 0.000 0.751 67 E HN 0.249 nan 8.360 nan 0.000 0.491 68 A N 0.319 123.014 122.820 -0.208 0.000 2.218 68 A HA 0.089 4.418 4.320 0.014 0.000 0.209 68 A C 0.733 177.922 177.584 -0.657 0.000 1.168 68 A CA -0.101 51.779 52.037 -0.262 0.000 0.804 68 A CB 0.257 19.210 19.000 -0.079 0.000 0.834 68 A HN 0.041 nan 8.150 nan 0.000 0.482 69 V N 2.988 122.403 119.914 -0.832 0.000 2.508 69 V HA 0.209 4.337 4.120 0.014 0.000 0.281 69 V C -2.178 173.572 176.094 -0.574 0.000 1.041 69 V CA -1.409 60.191 62.300 -1.166 0.000 1.016 69 V CB 0.679 31.944 31.823 -0.930 0.000 0.984 69 V HN 0.314 nan 8.190 nan 0.000 0.478 70 P HA 0.298 nan 4.420 nan 0.000 0.279 70 P C 0.265 177.516 177.300 -0.081 0.000 1.239 70 P CA -0.442 62.548 63.100 -0.183 0.000 0.789 70 P CB 1.345 32.990 31.700 -0.092 0.000 0.933 71 E N 1.143 121.302 120.200 -0.070 0.000 2.209 71 E HA -0.167 4.191 4.350 0.014 0.000 0.196 71 E C 1.878 178.450 176.600 -0.047 0.000 0.993 71 E CA 1.689 58.052 56.400 -0.063 0.000 0.819 71 E CB -0.654 29.010 29.700 -0.060 0.000 0.745 71 E HN 0.557 nan 8.360 nan 0.000 0.477 72 S N -0.632 115.060 115.700 -0.013 0.000 2.419 72 S HA -0.209 4.269 4.470 0.014 0.000 0.235 72 S C 1.854 176.463 174.600 0.014 0.000 1.019 72 S CA 0.850 59.049 58.200 -0.003 0.000 0.982 72 S CB -0.745 62.465 63.200 0.016 0.000 0.789 72 S HN 0.553 nan 8.310 nan 0.000 0.490 73 W N 2.364 123.574 121.300 -0.149 0.000 2.350 73 W HA -0.002 4.667 4.660 0.014 0.000 0.289 73 W C 1.613 178.028 176.519 -0.173 0.000 1.215 73 W CA 1.041 58.299 57.345 -0.146 0.000 1.236 73 W CB -0.383 28.969 29.460 -0.179 0.000 1.130 73 W HN 0.294 nan 8.180 nan 0.000 0.541 74 L N 0.113 121.078 121.223 -0.429 0.000 2.093 74 L HA -0.162 4.186 4.340 0.014 0.000 0.208 74 L C 2.284 178.920 176.870 -0.391 0.000 1.085 74 L CA 1.703 56.159 54.840 -0.640 0.000 0.755 74 L CB -0.748 40.970 42.059 -0.568 0.000 0.904 74 L HN -0.063 nan 8.230 nan 0.000 0.435 75 E N -0.917 119.144 120.200 -0.233 0.000 2.251 75 E HA -0.000 4.358 4.350 0.014 0.000 0.194 75 E C 0.208 176.737 176.600 -0.118 0.000 0.964 75 E CA 0.403 56.721 56.400 -0.136 0.000 0.868 75 E CB 0.533 30.187 29.700 -0.077 0.000 0.828 75 E HN 0.559 nan 8.360 nan 0.000 0.481 76 C N -1.067 118.168 119.300 -0.108 0.000 3.239 76 C HA 0.558 5.027 4.460 0.014 0.000 0.317 76 C C -0.418 174.563 174.990 -0.016 0.000 1.310 76 C CA -1.738 57.243 59.018 -0.062 0.000 1.371 76 C CB 0.726 28.450 27.740 -0.028 0.000 1.714 76 C HN 0.197 nan 8.230 nan 0.000 0.473 77 D N 0.734 121.141 120.400 0.011 0.000 2.571 77 D HA 0.236 4.885 4.640 0.014 0.000 0.231 77 D C -0.172 176.198 176.300 0.117 0.000 1.133 77 D CA 0.494 54.542 54.000 0.080 0.000 0.862 77 D CB 0.491 41.330 40.800 0.065 0.000 1.179 77 D HN 0.586 nan 8.370 nan 0.000 0.474 78 L N 6.194 127.529 121.223 0.186 0.000 2.319 78 L HA 0.234 4.583 4.340 0.014 0.000 0.280 78 L C -1.077 175.849 176.870 0.094 0.000 1.099 78 L CA -1.438 53.491 54.840 0.149 0.000 0.828 78 L CB 1.204 43.362 42.059 0.165 0.000 1.150 78 L HN 0.542 nan 8.230 nan 0.000 0.442 79 P HA -0.130 nan 4.420 nan 0.000 0.221 79 P C 0.611 177.936 177.300 0.042 0.000 1.150 79 P CA 1.011 64.141 63.100 0.050 0.000 0.800 79 P CB 0.291 32.014 31.700 0.039 0.000 0.787 80 E N 0.017 120.238 120.200 0.035 0.000 2.482 80 E HA 0.157 4.515 4.350 0.014 0.000 0.196 80 E C 1.134 177.736 176.600 0.002 0.000 1.047 80 E CA 0.070 56.477 56.400 0.012 0.000 0.869 80 E CB -0.680 29.012 29.700 -0.013 0.000 0.836 80 E HN 0.244 nan 8.360 nan 0.000 0.520 81 A N 1.120 123.950 122.820 0.017 0.000 2.386 81 A HA 0.178 4.506 4.320 0.014 0.000 0.246 81 A C -0.014 177.613 177.584 0.072 0.000 1.089 81 A CA -0.284 51.761 52.037 0.014 0.000 0.790 81 A CB 0.356 19.388 19.000 0.054 0.000 1.042 81 A HN -0.047 nan 8.150 nan 0.000 0.497 82 D N -0.399 120.074 120.400 0.121 0.000 2.340 82 D HA 0.501 5.149 4.640 0.014 0.000 0.243 82 D C -0.648 175.761 176.300 0.182 0.000 0.988 82 D CA 0.015 54.110 54.000 0.159 0.000 0.959 82 D CB 1.430 42.379 40.800 0.248 0.000 1.226 82 D HN 0.382 nan 8.370 nan 0.000 0.509 83 T N 0.593 115.237 114.554 0.149 0.000 2.744 83 T HA 0.489 4.847 4.350 0.014 0.000 0.291 83 T C 0.098 174.885 174.700 0.146 0.000 0.957 83 T CA -0.546 61.652 62.100 0.163 0.000 1.002 83 T CB 0.619 69.558 68.868 0.118 0.000 0.919 83 T HN 0.259 nan 8.240 nan 0.000 0.468 84 V N 1.426 121.460 119.914 0.200 0.000 3.040 84 V HA 0.772 4.900 4.120 0.014 0.000 0.312 84 V C -0.219 176.004 176.094 0.215 0.000 1.115 84 V CA -1.059 61.322 62.300 0.135 0.000 0.998 84 V CB 1.695 33.600 31.823 0.137 0.000 1.042 84 V HN 0.512 nan 8.190 nan 0.000 0.433 85 V N 2.702 122.719 119.914 0.171 0.000 2.614 85 V HA 0.419 4.547 4.120 0.014 0.000 0.291 85 V C 0.123 176.310 176.094 0.154 0.000 1.049 85 V CA 0.084 62.487 62.300 0.172 0.000 1.038 85 V CB 1.314 33.203 31.823 0.109 0.000 0.980 85 V HN 0.752 nan 8.190 nan 0.000 0.481 86 V N 7.554 127.487 119.914 0.033 0.000 2.540 86 V HA 0.453 4.581 4.120 0.014 0.000 0.302 86 V C -2.257 173.742 176.094 -0.159 0.000 1.035 86 V CA -1.707 60.469 62.300 -0.205 0.000 0.873 86 V CB 2.417 33.776 31.823 -0.772 0.000 0.992 86 V HN 0.755 nan 8.190 nan 0.000 0.428 87 P HA 0.447 nan 4.420 nan 0.000 0.277 87 P C -0.829 176.403 177.300 -0.113 0.000 1.240 87 P CA -0.124 62.867 63.100 -0.182 0.000 0.798 87 P CB 1.307 32.912 31.700 -0.158 0.000 0.979 88 S N 0.420 116.058 115.700 -0.105 0.000 2.595 88 S HA 0.423 4.901 4.470 0.014 0.000 0.270 88 S C -1.213 173.310 174.600 -0.128 0.000 1.145 88 S CA -1.035 57.080 58.200 -0.141 0.000 0.825 88 S CB 0.571 63.613 63.200 -0.263 0.000 1.107 88 S HN 0.339 nan 8.310 nan 0.000 0.461 89 N N 0.800 119.364 118.700 -0.226 0.000 2.421 89 N HA 0.461 5.209 4.740 0.014 0.000 0.285 89 N C 0.406 175.747 175.510 -0.281 0.000 1.027 89 N CA -0.844 52.048 53.050 -0.263 0.000 0.918 89 N CB 0.740 39.042 38.487 -0.307 0.000 1.152 89 N HN 0.873 nan 8.380 nan 0.000 0.485 90 W N 2.014 123.176 121.300 -0.231 0.000 2.595 90 W HA 0.035 4.704 4.660 0.015 0.000 0.257 90 W C 0.952 177.443 176.519 -0.046 0.000 1.267 90 W CA 0.388 57.592 57.345 -0.235 0.000 1.300 90 W CB -0.297 29.028 29.460 -0.225 0.000 1.120 90 W HN 0.504 nan 8.180 nan 0.000 0.618 91 Q N 0.672 120.453 119.800 -0.032 0.000 2.226 91 Q HA -0.115 4.233 4.340 0.014 0.000 0.204 91 Q C 2.137 178.085 176.000 -0.086 0.000 0.975 91 Q CA 1.801 57.580 55.803 -0.040 0.000 0.866 91 Q CB -0.509 28.081 28.738 -0.245 0.000 0.915 91 Q HN 0.280 nan 8.270 nan 0.000 0.440 92 M N -0.982 118.533 119.600 -0.143 0.000 2.562 92 M HA -0.038 4.450 4.480 0.014 0.000 0.257 92 M C 0.708 177.071 176.300 0.104 0.000 1.099 92 M CA 1.329 56.571 55.300 -0.097 0.000 1.099 92 M CB -0.523 32.001 32.600 -0.127 0.000 1.427 92 M HN 0.374 nan 8.290 nan 0.000 0.489 93 H N -0.675 118.422 119.070 0.045 0.000 2.551 93 H HA 0.269 4.833 4.556 0.014 0.000 0.271 93 H C 1.254 176.502 175.328 -0.133 0.000 0.984 93 H CA 0.112 56.179 56.048 0.031 0.000 1.164 93 H CB 0.440 30.335 29.762 0.222 0.000 1.437 93 H HN 0.563 nan 8.280 nan 0.000 0.550 94 G N 0.624 109.445 108.800 0.034 0.000 2.159 94 G HA2 -0.364 3.604 3.960 0.014 0.000 0.256 94 G HA3 -0.364 3.604 3.960 0.014 0.000 0.256 94 G C 0.374 175.144 174.900 -0.216 0.000 0.977 94 G CA 0.354 45.391 45.100 -0.104 0.000 0.652 94 G HN 0.470 nan 8.290 nan 0.000 0.531 95 Y N 1.555 121.856 120.300 0.001 0.000 2.373 95 Y HA 0.274 4.832 4.550 0.014 0.000 0.293 95 Y C 1.653 177.283 175.900 -0.449 0.000 1.129 95 Y CA 1.521 59.481 58.100 -0.234 0.000 1.226 95 Y CB 0.246 38.622 38.460 -0.140 0.000 1.000 95 Y HN 0.655 nan 8.280 nan 0.000 0.549 96 D N -1.955 118.491 120.400 0.076 0.000 2.692 96 D HA 0.509 5.158 4.640 0.014 0.000 0.303 96 D C -1.224 175.148 176.300 0.121 0.000 1.278 96 D CA -0.896 53.152 54.000 0.080 0.000 0.852 96 D CB 0.764 41.745 40.800 0.301 0.000 1.375 96 D HN -0.072 nan 8.370 nan 0.000 0.453 97 A N -0.060 122.841 122.820 0.135 0.000 2.306 97 A HA 0.730 5.059 4.320 0.014 0.000 0.314 97 A C -2.375 175.226 177.584 0.029 0.000 1.164 97 A CA -1.281 50.806 52.037 0.083 0.000 0.822 97 A CB 0.323 19.444 19.000 0.202 0.000 1.130 97 A HN 0.551 nan 8.150 nan 0.000 0.496 98 P HA 0.439 nan 4.420 nan 0.000 0.278 98 P C -0.930 176.535 177.300 0.275 0.000 1.238 98 P CA 0.042 63.085 63.100 -0.095 0.000 0.794 98 P CB 0.846 32.231 31.700 -0.525 0.000 0.955 99 I N 2.388 123.220 120.570 0.436 0.000 2.433 99 I HA 0.247 4.426 4.170 0.014 0.000 0.292 99 I C -0.492 175.817 176.117 0.321 0.000 1.001 99 I CA -0.985 60.565 61.300 0.415 0.000 1.119 99 I CB 1.593 39.768 38.000 0.293 0.000 1.289 99 I HN 0.295 nan 8.210 nan 0.000 0.438 100 Y N 6.284 126.516 120.300 -0.114 0.000 2.491 100 Y HA 0.492 5.050 4.550 0.014 0.000 0.334 100 Y C -0.240 175.500 175.900 -0.267 0.000 0.969 100 Y CA -0.486 57.262 58.100 -0.587 0.000 1.241 100 Y CB 1.026 38.628 38.460 -1.431 0.000 1.105 100 Y HN 0.537 nan 8.280 nan 0.000 0.503 101 T N 4.908 118.955 114.554 -0.844 0.000 2.887 101 T HA 0.274 4.633 4.350 0.014 0.000 0.288 101 T C 0.230 174.447 174.700 -0.806 0.000 1.021 101 T CA -0.578 61.051 62.100 -0.785 0.000 1.000 101 T CB 1.189 69.834 68.868 -0.371 0.000 1.034 101 T HN 0.749 nan 8.240 nan 0.000 0.467 102 N N 2.476 120.758 118.700 -0.696 0.000 2.272 102 N HA 0.066 4.815 4.740 0.014 0.000 0.195 102 N C 1.572 176.815 175.510 -0.445 0.000 1.048 102 N CA 1.432 54.205 53.050 -0.461 0.000 0.912 102 N CB -0.635 37.597 38.487 -0.424 0.000 1.096 102 N HN 0.391 nan 8.380 nan 0.000 0.471 103 V N 0.478 120.062 119.914 -0.551 0.000 2.436 103 V HA 0.100 4.228 4.120 0.014 0.000 0.240 103 V C 0.402 176.190 176.094 -0.511 0.000 1.040 103 V CA 0.910 62.810 62.300 -0.666 0.000 1.052 103 V CB -0.784 30.538 31.823 -0.835 0.000 0.707 103 V HN 0.333 nan 8.190 nan 0.000 0.469 104 T N 1.174 115.492 114.554 -0.392 0.000 2.871 104 T HA 0.097 4.456 4.350 0.014 0.000 0.296 104 T C -0.332 174.232 174.700 -0.228 0.000 0.998 104 T CA 0.299 62.244 62.100 -0.259 0.000 1.162 104 T CB -0.293 68.455 68.868 -0.201 0.000 0.947 104 T HN 0.165 nan 8.240 nan 0.000 0.536 105 Y N 4.825 125.026 120.300 -0.165 0.000 2.652 105 Y HA 0.104 4.663 4.550 0.014 0.000 0.344 105 Y C -0.792 174.979 175.900 -0.215 0.000 1.254 105 Y CA -1.501 56.490 58.100 -0.181 0.000 1.480 105 Y CB 0.345 38.693 38.460 -0.187 0.000 1.345 105 Y HN 0.507 nan 8.280 nan 0.000 0.617 106 P HA 0.023 nan 4.420 nan 0.000 0.245 106 P C -0.341 176.733 177.300 -0.376 0.000 1.212 106 P CA 1.015 64.001 63.100 -0.192 0.000 0.774 106 P CB 0.047 31.654 31.700 -0.156 0.000 0.999 107 I N -5.111 115.222 120.570 -0.395 0.000 2.957 107 I HA 0.496 4.675 4.170 0.014 0.000 0.310 107 I C -0.488 175.500 176.117 -0.215 0.000 1.063 107 I CA -1.217 59.825 61.300 -0.431 0.000 1.033 107 I CB 1.666 39.280 38.000 -0.642 0.000 1.230 107 I HN -0.463 nan 8.210 nan 0.000 0.447 108 T N 2.884 117.351 114.554 -0.145 0.000 2.934 108 T HA 0.137 4.495 4.350 0.014 0.000 0.306 108 T C 0.181 174.865 174.700 -0.027 0.000 1.042 108 T CA -0.166 61.901 62.100 -0.055 0.000 1.145 108 T CB 0.532 69.390 68.868 -0.017 0.000 0.982 108 T HN 0.376 nan 8.240 nan 0.000 0.544 109 V N 5.150 125.063 119.914 -0.001 0.000 2.370 109 V HA 0.240 4.369 4.120 0.014 0.000 0.257 109 V C 0.671 176.811 176.094 0.076 0.000 1.064 109 V CA -0.217 62.100 62.300 0.029 0.000 0.975 109 V CB -0.127 31.701 31.823 0.008 0.000 1.067 109 V HN 0.860 nan 8.190 nan 0.000 0.485 110 N N 5.948 124.749 118.700 0.168 0.000 2.679 110 N HA 0.257 5.006 4.740 0.014 0.000 0.240 110 N C -2.967 172.604 175.510 0.101 0.000 1.537 110 N CA -1.175 51.959 53.050 0.140 0.000 0.793 110 N CB 1.468 40.080 38.487 0.209 0.000 1.391 110 N HN 0.272 nan 8.380 nan 0.000 0.524 111 P HA 0.201 nan 4.420 nan 0.000 0.266 111 P C -2.203 174.872 177.300 -0.375 0.000 1.195 111 P CA -0.725 61.958 63.100 -0.696 0.000 0.768 111 P CB 0.603 31.784 31.700 -0.866 0.000 0.838 112 P HA 0.204 nan 4.420 nan 0.000 0.269 112 P C -0.429 176.712 177.300 -0.265 0.000 1.478 112 P CA -0.241 62.614 63.100 -0.409 0.000 1.045 112 P CB 0.129 31.571 31.700 -0.430 0.000 1.512 113 F N 1.269 121.312 119.950 0.156 0.000 2.406 113 F HA 0.298 4.833 4.527 0.014 0.000 0.327 113 F C 1.390 177.362 175.800 0.288 0.000 1.153 113 F CA -0.552 57.560 58.000 0.187 0.000 1.218 113 F CB 0.444 39.505 39.000 0.101 0.000 1.215 113 F HN -0.200 nan 8.300 nan 0.000 0.570 114 V N -1.439 118.754 119.914 0.466 0.000 3.141 114 V HA 0.723 4.852 4.120 0.014 0.000 0.312 114 V C -2.819 173.440 176.094 0.275 0.000 1.157 114 V CA -2.858 59.641 62.300 0.331 0.000 1.041 114 V CB 1.402 33.472 31.823 0.412 0.000 1.071 114 V HN 0.494 nan 8.190 nan 0.000 0.441 115 P HA 0.218 nan 4.420 nan 0.000 0.269 115 P C 1.022 178.459 177.300 0.228 0.000 1.209 115 P CA 0.479 63.671 63.100 0.152 0.000 0.776 115 P CB 0.550 32.304 31.700 0.091 0.000 0.876 116 T N -1.621 113.037 114.554 0.174 0.000 2.867 116 T HA -0.092 4.266 4.350 0.014 0.000 0.268 116 T C 0.530 175.335 174.700 0.176 0.000 1.057 116 T CA 0.850 63.058 62.100 0.180 0.000 1.136 116 T CB -0.534 68.406 68.868 0.121 0.000 0.874 116 T HN 0.394 nan 8.240 nan 0.000 0.466 117 E N 2.575 122.878 120.200 0.171 0.000 1.941 117 E HA 0.256 4.614 4.350 0.014 0.000 0.275 117 E C -0.726 176.027 176.600 0.256 0.000 1.113 117 E CA -0.389 56.118 56.400 0.178 0.000 0.878 117 E CB 0.160 29.973 29.700 0.187 0.000 1.070 117 E HN 0.216 nan 8.360 nan 0.000 0.399 118 N N 4.574 123.396 118.700 0.202 0.000 2.573 118 N HA 0.244 4.992 4.740 0.014 0.000 0.262 118 N C -2.849 172.690 175.510 0.050 0.000 1.029 118 N CA -2.509 50.694 53.050 0.255 0.000 0.882 118 N CB 1.141 39.760 38.487 0.219 0.000 1.204 118 N HN 0.052 nan 8.380 nan 0.000 0.519 119 P HA 0.026 nan 4.420 nan 0.000 0.260 119 P C -0.827 176.385 177.300 -0.147 0.000 1.172 119 P CA 0.505 63.547 63.100 -0.097 0.000 0.760 119 P CB 0.438 32.384 31.700 0.410 0.000 0.773 120 T N 2.748 116.949 114.554 -0.589 0.000 2.812 120 T HA 0.564 4.922 4.350 0.014 0.000 0.282 120 T C 0.228 174.416 174.700 -0.853 0.000 0.990 120 T CA -0.567 61.250 62.100 -0.471 0.000 0.960 120 T CB 1.557 70.188 68.868 -0.396 0.000 0.948 120 T HN 0.332 nan 8.240 nan 0.000 0.438 121 G N 1.141 109.514 108.800 -0.712 0.000 2.384 121 G HA2 0.479 4.447 3.960 0.014 0.000 0.316 121 G HA3 0.479 4.447 3.960 0.014 0.000 0.316 121 G C -0.275 174.400 174.900 -0.375 0.000 1.160 121 G CA -0.352 44.230 45.100 -0.864 0.000 0.936 121 G HN 0.867 nan 8.290 nan 0.000 0.455 122 C N 3.299 122.133 119.300 -0.776 0.000 2.223 122 C HA 0.486 4.954 4.460 0.014 0.000 0.324 122 C C -0.532 174.420 174.990 -0.063 0.000 1.196 122 C CA -0.874 57.827 59.018 -0.528 0.000 1.628 122 C CB -1.625 25.353 27.740 -1.269 0.000 2.229 122 C HN 0.636 nan 8.230 nan 0.000 0.486 123 Y N 1.989 122.582 120.300 0.488 0.000 2.420 123 Y HA 0.655 5.213 4.550 0.014 0.000 0.334 123 Y C 0.779 177.158 175.900 0.798 0.000 1.094 123 Y CA -0.132 58.363 58.100 0.658 0.000 1.126 123 Y CB 1.618 40.436 38.460 0.596 0.000 1.217 123 Y HN 0.693 nan 8.280 nan 0.000 0.462 124 S N 2.145 118.359 115.700 0.857 0.000 2.596 124 S HA 0.841 5.319 4.470 0.014 0.000 0.270 124 S C -1.954 172.729 174.600 0.139 0.000 1.155 124 S CA -0.811 57.667 58.200 0.465 0.000 0.827 124 S CB 2.281 65.629 63.200 0.248 0.000 1.130 124 S HN 0.603 nan 8.310 nan 0.000 0.467 125 L N 0.498 121.618 121.223 -0.171 0.000 2.505 125 L HA 0.716 5.065 4.340 0.014 0.000 0.259 125 L C -1.047 175.748 176.870 -0.125 0.000 0.952 125 L CA 0.107 54.698 54.840 -0.416 0.000 0.840 125 L CB 2.199 43.505 42.059 -1.256 0.000 1.358 125 L HN 0.922 nan 8.230 nan 0.000 0.409 126 T N 4.701 119.212 114.554 -0.071 0.000 2.837 126 T HA 0.767 5.125 4.350 0.014 0.000 0.285 126 T C -0.780 173.964 174.700 0.074 0.000 0.984 126 T CA 0.066 62.165 62.100 -0.002 0.000 1.049 126 T CB 0.528 69.370 68.868 -0.044 0.000 0.947 126 T HN 0.481 nan 8.240 nan 0.000 0.472 127 F N 0.906 120.781 119.950 -0.126 0.000 2.754 127 F HA 0.825 5.361 4.527 0.014 0.000 0.320 127 F C -1.058 174.690 175.800 -0.086 0.000 1.156 127 F CA -1.579 56.352 58.000 -0.116 0.000 0.950 127 F CB 1.095 40.019 39.000 -0.128 0.000 1.388 127 F HN 0.540 nan 8.300 nan 0.000 0.485 128 N N -0.397 118.249 118.700 -0.090 0.000 2.774 128 N HA 0.723 5.472 4.740 0.014 0.000 0.264 128 N C -1.596 173.871 175.510 -0.072 0.000 1.415 128 N CA -0.510 52.399 53.050 -0.235 0.000 0.815 128 N CB 2.033 40.395 38.487 -0.207 0.000 1.514 128 N HN 0.942 nan 8.380 nan 0.000 0.523 129 V N -3.953 115.884 119.914 -0.129 0.000 3.074 129 V HA 0.579 4.708 4.120 0.014 0.000 0.314 129 V C -0.274 175.618 176.094 -0.336 0.000 1.117 129 V CA -1.050 61.113 62.300 -0.228 0.000 1.014 129 V CB 1.716 33.525 31.823 -0.022 0.000 1.057 129 V HN 0.864 nan 8.190 nan 0.000 0.438 130 D N 0.915 120.914 120.400 -0.669 0.000 2.472 130 D HA -0.053 4.596 4.640 0.014 0.000 0.237 130 D C 0.989 177.138 176.300 -0.251 0.000 1.141 130 D CA 0.557 54.253 54.000 -0.508 0.000 0.875 130 D CB 1.699 42.044 40.800 -0.758 0.000 1.192 130 D HN 0.922 nan 8.370 nan 0.000 0.450 131 E N 1.994 122.116 120.200 -0.130 0.000 2.130 131 E HA -0.242 4.116 4.350 0.014 0.000 0.196 131 E C 1.843 178.458 176.600 0.024 0.000 0.998 131 E CA 2.189 58.566 56.400 -0.040 0.000 0.806 131 E CB -0.285 29.399 29.700 -0.026 0.000 0.738 131 E HN 0.463 nan 8.360 nan 0.000 0.459 132 S N -0.993 114.732 115.700 0.043 0.000 2.442 132 S HA -0.138 4.340 4.470 0.014 0.000 0.236 132 S C 1.588 176.327 174.600 0.233 0.000 1.007 132 S CA 0.893 59.180 58.200 0.144 0.000 0.965 132 S CB -0.707 62.597 63.200 0.175 0.000 0.773 132 S HN 0.420 nan 8.310 nan 0.000 0.504 133 W N 1.557 122.733 121.300 -0.206 0.000 2.584 133 W HA 0.393 5.061 4.660 0.014 0.000 0.264 133 W C 1.876 178.358 176.519 -0.061 0.000 1.264 133 W CA -0.555 56.598 57.345 -0.320 0.000 1.306 133 W CB -0.811 28.409 29.460 -0.399 0.000 1.110 133 W HN 0.329 nan 8.180 nan 0.000 0.606 134 L N -0.404 120.933 121.223 0.190 0.000 2.270 134 L HA -0.081 4.267 4.340 0.014 0.000 0.210 134 L C 2.321 179.257 176.870 0.110 0.000 1.104 134 L CA 0.841 55.758 54.840 0.128 0.000 0.804 134 L CB -0.685 41.417 42.059 0.072 0.000 0.937 134 L HN -0.021 nan 8.230 nan 0.000 0.450 135 Q N -0.122 119.746 119.800 0.114 0.000 2.016 135 Q HA -0.018 4.331 4.340 0.014 0.000 0.200 135 Q C 0.184 176.250 176.000 0.109 0.000 0.978 135 Q CA 0.975 56.836 55.803 0.097 0.000 0.833 135 Q CB 0.328 29.121 28.738 0.092 0.000 0.895 135 Q HN 0.395 nan 8.270 nan 0.000 0.427 136 E N -1.922 118.371 120.200 0.155 0.000 2.456 136 E HA 0.494 4.852 4.350 0.014 0.000 0.278 136 E C -0.521 176.203 176.600 0.206 0.000 1.034 136 E CA -0.022 56.462 56.400 0.140 0.000 0.846 136 E CB 1.611 31.377 29.700 0.109 0.000 1.460 136 E HN 0.266 nan 8.360 nan 0.000 0.463 137 G N 0.896 109.740 108.800 0.073 0.000 2.756 137 G HA2 -0.207 3.762 3.960 0.014 0.000 0.678 137 G HA3 -0.207 3.762 3.960 0.014 0.000 0.678 137 G C -0.775 174.092 174.900 -0.054 0.000 1.349 137 G CA -0.203 44.847 45.100 -0.083 0.000 0.847 137 G HN 0.457 nan 8.290 nan 0.000 0.548 138 Q N -0.207 119.469 119.800 -0.207 0.000 2.307 138 Q HA 0.628 4.977 4.340 0.014 0.000 0.262 138 Q C -0.653 175.306 176.000 -0.068 0.000 0.961 138 Q CA -0.446 55.307 55.803 -0.083 0.000 0.882 138 Q CB 1.114 29.789 28.738 -0.105 0.000 1.264 138 Q HN 0.580 nan 8.270 nan 0.000 0.446 139 T N 5.405 119.997 114.554 0.064 0.000 2.772 139 T HA 0.438 4.796 4.350 0.014 0.000 0.288 139 T C -0.563 174.191 174.700 0.089 0.000 0.994 139 T CA -0.639 61.498 62.100 0.062 0.000 0.951 139 T CB 0.487 69.472 68.868 0.195 0.000 0.933 139 T HN 0.638 nan 8.240 nan 0.000 0.447 140 R N 2.883 123.410 120.500 0.045 0.000 2.828 140 R HA 0.798 5.146 4.340 0.014 0.000 0.264 140 R C -0.963 175.378 176.300 0.068 0.000 1.022 140 R CA -1.008 55.138 56.100 0.077 0.000 1.021 140 R CB 1.498 31.829 30.300 0.052 0.000 1.163 140 R HN 0.554 nan 8.270 nan 0.000 0.494 141 I N 1.791 122.414 120.570 0.090 0.000 2.493 141 I HA 0.450 4.629 4.170 0.014 0.000 0.298 141 I C -1.138 174.982 176.117 0.005 0.000 0.998 141 I CA -1.317 59.981 61.300 -0.004 0.000 1.137 141 I CB 1.489 39.481 38.000 -0.013 0.000 1.310 141 I HN 0.611 nan 8.210 nan 0.000 0.445 142 I N 7.248 127.730 120.570 -0.146 0.000 2.418 142 I HA 0.304 4.483 4.170 0.014 0.000 0.287 142 I C -1.290 174.665 176.117 -0.270 0.000 1.008 142 I CA -0.385 60.855 61.300 -0.100 0.000 1.104 142 I CB 1.473 39.428 38.000 -0.076 0.000 1.264 142 I HN 0.402 nan 8.210 nan 0.000 0.438 143 F N 4.534 124.476 119.950 -0.014 0.000 2.332 143 F HA 0.275 4.810 4.527 0.014 0.000 0.368 143 F C 1.281 176.979 175.800 -0.169 0.000 1.110 143 F CA -0.477 57.447 58.000 -0.127 0.000 1.087 143 F CB 0.884 39.772 39.000 -0.187 0.000 1.235 143 F HN 0.459 nan 8.300 nan 0.000 0.470 144 D N 2.382 122.706 120.400 -0.127 0.000 2.264 144 D HA 0.053 4.702 4.640 0.014 0.000 0.208 144 D C 0.962 177.099 176.300 -0.272 0.000 0.966 144 D CA 0.839 54.715 54.000 -0.205 0.000 0.864 144 D CB 0.434 41.053 40.800 -0.302 0.000 0.933 144 D HN 0.632 nan 8.370 nan 0.000 0.499 145 G N -0.291 108.292 108.800 -0.361 0.000 2.505 145 G HA2 0.429 4.397 3.960 0.014 0.000 0.292 145 G HA3 0.429 4.397 3.960 0.014 0.000 0.292 145 G C -1.456 173.199 174.900 -0.408 0.000 1.332 145 G CA -0.406 44.377 45.100 -0.528 0.000 1.286 145 G HN -0.056 nan 8.290 nan 0.000 0.606 146 V N 2.563 122.434 119.914 -0.071 0.000 2.577 146 V HA 0.561 4.689 4.120 0.014 0.000 0.303 146 V C -0.847 175.331 176.094 0.140 0.000 1.042 146 V CA -1.143 61.117 62.300 -0.067 0.000 0.872 146 V CB 2.026 33.562 31.823 -0.478 0.000 0.998 146 V HN 0.717 nan 8.190 nan 0.000 0.423 147 N N 2.359 121.127 118.700 0.114 0.000 2.443 147 N HA 0.326 5.075 4.740 0.014 0.000 0.269 147 N C 0.604 176.034 175.510 -0.132 0.000 0.985 147 N CA 0.111 53.139 53.050 -0.037 0.000 0.921 147 N CB 2.259 40.569 38.487 -0.295 0.000 1.195 147 N HN 0.654 nan 8.380 nan 0.000 0.492 148 S N 1.944 117.605 115.700 -0.064 0.000 2.505 148 S HA 0.570 5.048 4.470 0.014 0.000 0.216 148 S C 0.416 175.073 174.600 0.095 0.000 1.018 148 S CA 0.123 58.341 58.200 0.030 0.000 0.911 148 S CB 0.330 63.571 63.200 0.068 0.000 0.818 148 S HN 0.698 nan 8.310 nan 0.000 0.497 149 A N 0.797 123.685 122.820 0.112 0.000 2.612 149 A HA 0.746 5.074 4.320 0.014 0.000 0.293 149 A C -1.433 176.237 177.584 0.142 0.000 1.075 149 A CA -0.939 51.132 52.037 0.057 0.000 0.680 149 A CB 0.854 19.922 19.000 0.113 0.000 1.279 149 A HN 1.024 nan 8.150 nan 0.000 0.411 150 F N -0.698 119.053 119.950 -0.332 0.000 2.678 150 F HA 0.738 5.273 4.527 0.014 0.000 0.308 150 F C -1.135 174.531 175.800 -0.224 0.000 1.118 150 F CA -0.780 57.119 58.000 -0.169 0.000 0.959 150 F CB 0.986 39.874 39.000 -0.186 0.000 1.305 150 F HN 0.627 nan 8.300 nan 0.000 0.443 151 H N 1.868 121.081 119.070 0.238 0.000 2.499 151 H HA 0.730 5.295 4.556 0.014 0.000 0.340 151 H C -1.400 173.884 175.328 -0.073 0.000 1.148 151 H CA -0.700 55.349 56.048 0.001 0.000 1.215 151 H CB 2.497 32.258 29.762 -0.001 0.000 1.529 151 H HN 0.780 nan 8.280 nan 0.000 0.510 152 L N 2.999 123.993 121.223 -0.382 0.000 2.386 152 L HA 0.402 4.750 4.340 0.014 0.000 0.271 152 L C -1.570 175.006 176.870 -0.489 0.000 0.993 152 L CA -0.528 54.161 54.840 -0.252 0.000 0.819 152 L CB 1.399 43.166 42.059 -0.487 0.000 1.294 152 L HN 0.524 nan 8.230 nan 0.000 0.414 153 W N 4.264 125.533 121.300 -0.051 0.000 2.864 153 W HA 0.630 5.298 4.660 0.014 0.000 0.343 153 W C -1.093 175.361 176.519 -0.108 0.000 1.109 153 W CA -0.827 56.468 57.345 -0.085 0.000 1.192 153 W CB 2.067 31.518 29.460 -0.015 0.000 1.426 153 W HN 0.632 nan 8.180 nan 0.000 0.529 154 C N 4.114 123.473 119.300 0.099 0.000 2.481 154 C HA 0.309 4.778 4.460 0.014 0.000 0.324 154 C C 0.228 175.340 174.990 0.203 0.000 1.170 154 C CA -0.378 58.710 59.018 0.117 0.000 1.361 154 C CB -0.178 27.564 27.740 0.003 0.000 1.977 154 C HN 0.821 nan 8.230 nan 0.000 0.459 155 N N 3.488 122.273 118.700 0.142 0.000 2.716 155 N HA -0.193 4.555 4.740 0.014 0.000 0.250 155 N C 0.986 176.564 175.510 0.114 0.000 1.033 155 N CA 2.043 55.151 53.050 0.097 0.000 0.727 155 N CB -1.301 37.256 38.487 0.115 0.000 0.950 155 N HN 1.901 nan 8.380 nan 0.000 0.541 156 G N -1.240 107.619 108.800 0.099 0.000 2.205 156 G HA2 -0.366 3.603 3.960 0.014 0.000 0.261 156 G HA3 -0.366 3.603 3.960 0.014 0.000 0.261 156 G C 0.117 175.184 174.900 0.279 0.000 0.980 156 G CA 0.624 45.777 45.100 0.089 0.000 0.632 156 G HN 0.566 nan 8.290 nan 0.000 0.533 157 R N -0.980 119.750 120.500 0.383 0.000 2.407 157 R HA 0.447 4.795 4.340 0.014 0.000 0.303 157 R C -0.215 176.401 176.300 0.527 0.000 0.981 157 R CA -0.875 55.520 56.100 0.491 0.000 0.905 157 R CB 1.146 31.763 30.300 0.528 0.000 1.099 157 R HN 0.208 nan 8.270 nan 0.000 0.459 158 W N 3.541 125.017 121.300 0.293 0.000 2.251 158 W HA 0.078 4.746 4.660 0.014 0.000 0.327 158 W C 0.063 176.521 176.519 -0.102 0.000 1.361 158 W CA 0.069 57.314 57.345 -0.168 0.000 1.234 158 W CB 0.674 30.021 29.460 -0.187 0.000 1.212 158 W HN 0.340 nan 8.180 nan 0.000 0.557 159 V N 5.201 124.380 119.914 -1.225 0.000 2.743 159 V HA 0.557 4.685 4.120 0.014 0.000 0.237 159 V C 1.038 176.152 176.094 -1.634 0.000 1.113 159 V CA 0.957 62.536 62.300 -1.201 0.000 1.141 159 V CB -0.430 30.734 31.823 -1.098 0.000 0.873 159 V HN 0.814 nan 8.190 nan 0.000 0.486 160 G N -1.733 105.885 108.800 -1.970 0.000 2.428 160 G HA2 0.482 4.450 3.960 0.014 0.000 0.304 160 G HA3 0.482 4.450 3.960 0.014 0.000 0.304 160 G C -2.470 171.952 174.900 -0.795 0.000 1.303 160 G CA -0.293 44.007 45.100 -1.332 0.000 0.825 160 G HN 0.021 nan 8.290 nan 0.000 0.484 161 Y N -0.530 119.493 120.300 -0.460 0.000 2.562 161 Y HA 0.728 5.287 4.550 0.014 0.000 0.345 161 Y C -0.037 175.631 175.900 -0.386 0.000 1.045 161 Y CA -0.078 57.700 58.100 -0.536 0.000 1.028 161 Y CB 2.252 40.566 38.460 -0.243 0.000 1.297 161 Y HN 1.221 nan 8.280 nan 0.000 0.463 162 G N 3.443 111.384 108.800 -1.431 0.000 2.704 162 G HA2 0.595 4.563 3.960 0.014 0.000 0.293 162 G HA3 0.595 4.563 3.960 0.014 0.000 0.293 162 G C -2.109 172.323 174.900 -0.779 0.000 1.421 162 G CA -0.890 43.711 45.100 -0.832 0.000 0.870 162 G HN 0.626 nan 8.290 nan 0.000 0.492 163 Q N -0.374 119.231 119.800 -0.326 0.000 2.587 163 Q HA 0.590 4.938 4.340 0.014 0.000 0.293 163 Q C -1.453 174.551 176.000 0.007 0.000 1.083 163 Q CA -0.850 54.893 55.803 -0.100 0.000 0.792 163 Q CB 2.722 31.458 28.738 -0.003 0.000 1.484 163 Q HN 0.631 nan 8.270 nan 0.000 0.446 164 D N -0.179 120.262 120.400 0.068 0.000 4.303 164 D HA -0.093 4.555 4.640 0.014 0.000 0.230 164 D C -0.505 175.861 176.300 0.110 0.000 1.172 164 D CA 0.397 54.450 54.000 0.090 0.000 1.001 164 D CB -0.589 40.248 40.800 0.060 0.000 0.641 164 D HN 0.534 nan 8.370 nan 0.000 0.296 165 S N 2.984 118.763 115.700 0.131 0.000 2.507 165 S HA -0.069 4.410 4.470 0.014 0.000 0.235 165 S C 1.572 176.312 174.600 0.232 0.000 0.988 165 S CA 0.583 58.890 58.200 0.178 0.000 0.944 165 S CB 0.254 63.521 63.200 0.110 0.000 0.762 165 S HN 0.434 nan 8.310 nan 0.000 0.526 166 R N 0.058 120.654 120.500 0.161 0.000 2.508 166 R HA 0.428 4.777 4.340 0.014 0.000 0.300 166 R C -0.365 175.998 176.300 0.106 0.000 0.970 166 R CA 0.058 56.256 56.100 0.162 0.000 1.102 166 R CB 0.194 30.619 30.300 0.208 0.000 1.246 166 R HN 0.322 nan 8.270 nan 0.000 0.539 167 L N 1.550 122.806 121.223 0.055 0.000 2.350 167 L HA 0.522 4.871 4.340 0.014 0.000 0.260 167 L C -2.355 174.495 176.870 -0.033 0.000 1.015 167 L CA -2.290 52.550 54.840 0.000 0.000 0.821 167 L CB 2.872 44.923 42.059 -0.013 0.000 1.370 167 L HN -0.208 nan 8.230 nan 0.000 0.416 168 P HA 0.115 nan 4.420 nan 0.000 0.271 168 P C -1.016 176.255 177.300 -0.049 0.000 1.216 168 P CA -0.222 62.834 63.100 -0.073 0.000 0.776 168 P CB 1.204 32.822 31.700 -0.137 0.000 0.881 169 S N 1.831 117.567 115.700 0.059 0.000 2.478 169 S HA 0.341 4.820 4.470 0.014 0.000 0.312 169 S C -0.435 174.135 174.600 -0.050 0.000 1.094 169 S CA -0.596 57.598 58.200 -0.009 0.000 1.081 169 S CB 0.955 64.306 63.200 0.252 0.000 1.007 169 S HN 0.375 nan 8.310 nan 0.000 0.475 170 E N 1.908 121.851 120.200 -0.428 0.000 2.238 170 E HA 0.598 4.956 4.350 0.014 0.000 0.267 170 E C -1.488 174.675 176.600 -0.729 0.000 0.887 170 E CA -0.600 55.613 56.400 -0.312 0.000 0.769 170 E CB 1.776 31.410 29.700 -0.110 0.000 1.187 170 E HN 0.400 nan 8.360 nan 0.000 0.416 171 F N 0.515 120.515 119.950 0.084 0.000 2.578 171 F HA 0.207 4.743 4.527 0.014 0.000 0.311 171 F C -0.166 175.653 175.800 0.032 0.000 1.094 171 F CA -1.105 56.909 58.000 0.024 0.000 0.923 171 F CB 1.671 40.655 39.000 -0.026 0.000 1.230 171 F HN 0.294 nan 8.300 nan 0.000 0.450 172 D N 2.562 123.084 120.400 0.203 0.000 2.317 172 D HA 0.256 4.904 4.640 0.014 0.000 0.252 172 D C 0.254 176.699 176.300 0.242 0.000 1.174 172 D CA 0.269 54.375 54.000 0.176 0.000 0.866 172 D CB 1.012 41.898 40.800 0.144 0.000 1.127 172 D HN 0.571 nan 8.370 nan 0.000 0.467 173 L N 2.759 124.125 121.223 0.238 0.000 2.640 173 L HA 0.034 4.383 4.340 0.014 0.000 0.230 173 L C 2.060 179.179 176.870 0.415 0.000 1.123 173 L CA -0.139 54.900 54.840 0.331 0.000 0.900 173 L CB 0.061 42.271 42.059 0.252 0.000 1.146 173 L HN 0.301 nan 8.230 nan 0.000 0.484 174 S N 1.398 117.270 115.700 0.286 0.000 2.381 174 S HA -0.294 4.184 4.470 0.014 0.000 0.230 174 S C 2.034 176.744 174.600 0.182 0.000 1.052 174 S CA 1.853 60.181 58.200 0.212 0.000 1.068 174 S CB -0.210 63.073 63.200 0.139 0.000 0.918 174 S HN 0.563 nan 8.310 nan 0.000 0.448 175 A N -0.489 122.416 122.820 0.142 0.000 2.235 175 A HA 0.296 4.624 4.320 0.014 0.000 0.208 175 A C 1.319 178.799 177.584 -0.174 0.000 1.172 175 A CA 0.417 52.415 52.037 -0.065 0.000 0.786 175 A CB -0.474 18.395 19.000 -0.219 0.000 0.804 175 A HN 0.485 nan 8.150 nan 0.000 0.479 176 F N -0.654 119.347 119.950 0.085 0.000 2.717 176 F HA 0.341 4.876 4.527 0.014 0.000 0.297 176 F C 0.720 176.569 175.800 0.082 0.000 1.113 176 F CA -0.317 57.734 58.000 0.085 0.000 1.319 176 F CB -0.039 39.022 39.000 0.101 0.000 1.097 176 F HN -0.038 nan 8.300 nan 0.000 0.595 177 L N 1.946 123.337 121.223 0.281 0.000 2.452 177 L HA 0.306 4.655 4.340 0.014 0.000 0.267 177 L C 0.431 177.354 176.870 0.088 0.000 1.188 177 L CA -0.073 54.878 54.840 0.185 0.000 0.821 177 L CB 0.554 42.732 42.059 0.198 0.000 1.102 177 L HN 0.154 nan 8.230 nan 0.000 0.470 178 R N 1.667 122.178 120.500 0.018 0.000 2.799 178 R HA 0.805 5.153 4.340 0.014 0.000 0.270 178 R C -1.157 175.116 176.300 -0.046 0.000 1.010 178 R CA -0.939 55.156 56.100 -0.008 0.000 0.916 178 R CB 1.399 31.691 30.300 -0.013 0.000 1.228 178 R HN 0.526 nan 8.270 nan 0.000 0.469 179 A N 0.921 123.719 122.820 -0.036 0.000 2.445 179 A HA 0.513 4.841 4.320 0.014 0.000 0.242 179 A C 1.079 178.616 177.584 -0.077 0.000 1.075 179 A CA 0.923 52.930 52.037 -0.050 0.000 0.777 179 A CB -0.642 18.338 19.000 -0.033 0.000 1.013 179 A HN 1.410 nan 8.150 nan 0.000 0.493 180 G N 1.044 109.789 108.800 -0.092 0.000 2.509 180 G HA2 -0.201 3.767 3.960 0.014 0.000 0.259 180 G HA3 -0.201 3.767 3.960 0.014 0.000 0.259 180 G C -0.080 174.722 174.900 -0.163 0.000 1.169 180 G CA 0.303 45.339 45.100 -0.107 0.000 0.953 180 G HN 1.019 nan 8.290 nan 0.000 0.563 181 E N 1.784 121.891 120.200 -0.154 0.000 2.316 181 E HA 0.307 4.665 4.350 0.014 0.000 0.275 181 E C 0.086 176.528 176.600 -0.262 0.000 1.029 181 E CA -0.115 56.164 56.400 -0.201 0.000 0.871 181 E CB 0.391 30.011 29.700 -0.134 0.000 1.022 181 E HN 0.412 nan 8.360 nan 0.000 0.418 182 N N 2.476 120.892 118.700 -0.473 0.000 2.328 182 N HA 0.418 5.166 4.740 0.014 0.000 0.299 182 N C -0.768 174.543 175.510 -0.331 0.000 1.179 182 N CA -0.685 52.061 53.050 -0.507 0.000 0.793 182 N CB 2.237 40.136 38.487 -0.980 0.000 1.366 182 N HN 0.282 nan 8.380 nan 0.000 0.493 183 R N 1.541 121.993 120.500 -0.079 0.000 2.502 183 R HA 0.439 4.788 4.340 0.014 0.000 0.300 183 R C -1.266 175.128 176.300 0.157 0.000 0.984 183 R CA -0.481 55.648 56.100 0.049 0.000 0.882 183 R CB 0.959 31.238 30.300 -0.036 0.000 1.180 183 R HN 0.479 nan 8.270 nan 0.000 0.444 184 L N 3.017 124.364 121.223 0.207 0.000 2.357 184 L HA 0.736 5.085 4.340 0.014 0.000 0.273 184 L C -0.179 176.769 176.870 0.130 0.000 1.080 184 L CA -0.835 54.123 54.840 0.197 0.000 0.803 184 L CB 1.848 44.014 42.059 0.179 0.000 1.174 184 L HN 0.770 nan 8.230 nan 0.000 0.443 185 A N 2.907 125.817 122.820 0.151 0.000 2.353 185 A HA 0.726 5.055 4.320 0.014 0.000 0.299 185 A C -1.101 176.795 177.584 0.519 0.000 1.089 185 A CA -0.435 51.607 52.037 0.009 0.000 0.736 185 A CB 1.536 20.042 19.000 -0.824 0.000 1.195 185 A HN 0.364 nan 8.150 nan 0.000 0.447 186 V N 3.485 123.873 119.914 0.790 0.000 2.407 186 V HA 0.462 4.590 4.120 0.014 0.000 0.291 186 V C -0.083 176.549 176.094 0.896 0.000 1.018 186 V CA -0.282 62.463 62.300 0.741 0.000 0.842 186 V CB 1.540 33.625 31.823 0.438 0.000 0.996 186 V HN 0.962 nan 8.190 nan 0.000 0.426 187 M N 6.070 126.221 119.600 0.919 0.000 2.061 187 M HA 0.553 5.042 4.480 0.014 0.000 0.346 187 M C -1.403 175.153 176.300 0.427 0.000 1.112 187 M CA -0.351 55.305 55.300 0.593 0.000 1.021 187 M CB 1.052 34.059 32.600 0.677 0.000 1.530 187 M HN 0.478 nan 8.290 nan 0.000 0.437 188 V N 6.739 126.861 119.914 0.347 0.000 2.394 188 V HA 0.398 4.526 4.120 0.014 0.000 0.282 188 V C -0.133 176.122 176.094 0.268 0.000 1.031 188 V CA -0.695 61.808 62.300 0.338 0.000 0.881 188 V CB 1.520 33.629 31.823 0.477 0.000 0.982 188 V HN 0.791 nan 8.190 nan 0.000 0.451 189 L N 4.920 126.228 121.223 0.142 0.000 2.275 189 L HA 0.505 4.853 4.340 0.014 0.000 0.288 189 L C 1.562 178.435 176.870 0.006 0.000 1.046 189 L CA -0.332 54.510 54.840 0.003 0.000 0.805 189 L CB 1.122 43.083 42.059 -0.163 0.000 1.193 189 L HN 0.639 nan 8.230 nan 0.000 0.426 190 R N 2.927 123.388 120.500 -0.065 0.000 2.073 190 R HA -0.074 4.275 4.340 0.014 0.000 0.234 190 R C -0.326 175.652 176.300 -0.538 0.000 1.134 190 R CA 1.448 57.272 56.100 -0.460 0.000 0.952 190 R CB 0.183 30.081 30.300 -0.670 0.000 0.850 190 R HN 0.558 nan 8.270 nan 0.000 0.433 191 W N 0.018 121.373 121.300 0.091 0.000 2.627 191 W HA 0.415 5.083 4.660 0.014 0.000 0.339 191 W C -0.251 176.374 176.519 0.177 0.000 1.058 191 W CA -0.772 56.638 57.345 0.108 0.000 1.223 191 W CB 1.720 31.248 29.460 0.114 0.000 1.389 191 W HN 0.038 nan 8.180 nan 0.000 0.541 192 S N -1.094 114.885 115.700 0.466 0.000 2.672 192 S HA 0.214 4.693 4.470 0.014 0.000 0.271 192 S C 0.081 174.946 174.600 0.442 0.000 1.171 192 S CA -0.425 58.070 58.200 0.491 0.000 0.817 192 S CB 1.147 64.611 63.200 0.440 0.000 1.150 192 S HN 0.617 nan 8.310 nan 0.000 0.478 193 D N 0.382 121.049 120.400 0.444 0.000 2.264 193 D HA 0.078 4.726 4.640 0.014 0.000 0.208 193 D C 1.786 178.410 176.300 0.539 0.000 0.966 193 D CA 1.132 55.443 54.000 0.519 0.000 0.864 193 D CB -0.731 40.236 40.800 0.278 0.000 0.933 193 D HN 0.701 nan 8.370 nan 0.000 0.499 194 G N 0.097 109.129 108.800 0.386 0.000 2.470 194 G HA2 -0.258 3.710 3.960 0.014 0.000 0.220 194 G HA3 -0.258 3.710 3.960 0.014 0.000 0.220 194 G C 1.685 176.774 174.900 0.315 0.000 1.121 194 G CA 0.720 46.017 45.100 0.329 0.000 0.766 194 G HN 0.310 nan 8.290 nan 0.000 0.553 195 S N -0.080 115.793 115.700 0.289 0.000 2.419 195 S HA -0.081 4.397 4.470 0.014 0.000 0.233 195 S C 1.891 176.589 174.600 0.164 0.000 1.016 195 S CA 0.648 58.984 58.200 0.226 0.000 0.974 195 S CB -0.361 62.977 63.200 0.230 0.000 0.786 195 S HN 0.525 nan 8.310 nan 0.000 0.492 196 Y N 1.260 121.693 120.300 0.222 0.000 2.421 196 Y HA 0.090 4.649 4.550 0.014 0.000 0.292 196 Y C 1.564 177.578 175.900 0.190 0.000 1.136 196 Y CA 0.629 58.785 58.100 0.093 0.000 1.255 196 Y CB -0.270 38.091 38.460 -0.164 0.000 0.991 196 Y HN 0.206 nan 8.280 nan 0.000 0.552 197 L N -0.310 121.111 121.223 0.329 0.000 2.700 197 L HA 0.148 4.497 4.340 0.014 0.000 0.234 197 L C 0.017 177.029 176.870 0.237 0.000 1.156 197 L CA 0.390 55.381 54.840 0.251 0.000 0.946 197 L CB 0.038 42.250 42.059 0.255 0.000 1.216 197 L HN 0.123 nan 8.230 nan 0.000 0.493 198 E N -0.157 120.195 120.200 0.252 0.000 3.646 198 E HA 0.041 4.399 4.350 0.014 0.000 0.211 198 E C -0.471 176.240 176.600 0.185 0.000 1.034 198 E CA -0.060 56.472 56.400 0.221 0.000 1.341 198 E CB 0.520 30.342 29.700 0.202 0.000 1.202 198 E HN 0.033 nan 8.360 nan 0.000 0.447 199 D N 1.059 121.530 120.400 0.119 0.000 2.561 199 D HA 0.030 4.678 4.640 0.014 0.000 0.232 199 D C -0.233 176.069 176.300 0.004 0.000 1.198 199 D CA -0.108 53.852 54.000 -0.066 0.000 0.826 199 D CB 0.179 40.695 40.800 -0.473 0.000 0.992 199 D HN 0.048 nan 8.370 nan 0.000 0.490 200 Q N 0.513 120.408 119.800 0.159 0.000 2.395 200 Q HA 0.109 4.458 4.340 0.014 0.000 0.271 200 Q C -0.118 176.013 176.000 0.217 0.000 1.026 200 Q CA 0.102 56.071 55.803 0.276 0.000 0.900 200 Q CB 0.596 29.658 28.738 0.539 0.000 1.266 200 Q HN 0.055 nan 8.270 nan 0.000 0.430 201 D N 3.269 123.820 120.400 0.252 0.000 2.441 201 D HA 0.168 4.816 4.640 0.014 0.000 0.243 201 D C -0.779 175.676 176.300 0.258 0.000 1.257 201 D CA 0.180 54.306 54.000 0.209 0.000 1.027 201 D CB -0.427 40.507 40.800 0.224 0.000 1.084 201 D HN 0.508 nan 8.370 nan 0.000 0.514 202 M N 0.596 120.317 119.600 0.202 0.000 2.895 202 M HA 0.359 4.847 4.480 0.014 0.000 0.271 202 M C -1.332 175.061 176.300 0.154 0.000 1.174 202 M CA -1.143 54.199 55.300 0.070 0.000 0.816 202 M CB 0.990 33.566 32.600 -0.040 0.000 1.647 202 M HN -0.091 nan 8.290 nan 0.000 0.506 203 W N 1.869 123.264 121.300 0.158 0.000 2.231 203 W HA 0.270 4.938 4.660 0.014 0.000 0.341 203 W C 0.318 176.866 176.519 0.048 0.000 1.298 203 W CA 0.077 57.506 57.345 0.140 0.000 1.266 203 W CB 0.306 29.789 29.460 0.038 0.000 1.172 203 W HN 0.317 nan 8.180 nan 0.000 0.568 204 R N 4.521 125.205 120.500 0.307 0.000 2.215 204 R HA 0.430 4.778 4.340 0.014 0.000 0.337 204 R C -0.171 176.136 176.300 0.013 0.000 1.010 204 R CA -0.283 55.911 56.100 0.158 0.000 0.871 204 R CB 0.251 30.718 30.300 0.278 0.000 1.134 204 R HN 0.550 nan 8.270 nan 0.000 0.477 205 M N 0.228 119.722 119.600 -0.177 0.000 2.777 205 M HA 0.539 5.028 4.480 0.014 0.000 0.288 205 M C -0.058 175.888 176.300 -0.591 0.000 1.181 205 M CA -0.861 54.215 55.300 -0.373 0.000 0.758 205 M CB 2.261 34.639 32.600 -0.371 0.000 1.757 205 M HN 0.607 nan 8.290 nan 0.000 0.453 206 S N -1.210 114.000 115.700 -0.816 0.000 2.611 206 S HA 0.954 5.432 4.470 0.014 0.000 0.268 206 S C -0.629 173.440 174.600 -0.886 0.000 1.156 206 S CA -0.186 57.446 58.200 -0.948 0.000 0.817 206 S CB 1.858 64.319 63.200 -1.232 0.000 1.122 206 S HN 1.449 nan 8.310 nan 0.000 0.466 207 G N -0.027 108.497 108.800 -0.461 0.000 2.334 207 G HA2 0.208 4.177 3.960 0.014 0.000 0.315 207 G HA3 0.208 4.177 3.960 0.014 0.000 0.315 207 G C -1.634 173.260 174.900 -0.011 0.000 1.284 207 G CA -0.646 44.489 45.100 0.057 0.000 0.985 207 G HN 1.097 nan 8.290 nan 0.000 0.504 208 I N 2.043 122.464 120.570 -0.247 0.000 2.276 208 I HA 0.306 4.485 4.170 0.014 0.000 0.290 208 I C 0.923 176.902 176.117 -0.231 0.000 1.109 208 I CA -0.307 60.747 61.300 -0.409 0.000 1.229 208 I CB 0.079 37.549 38.000 -0.883 0.000 1.452 208 I HN 0.517 nan 8.210 nan 0.000 0.497 209 F N 4.589 124.385 119.950 -0.258 0.000 2.678 209 F HA 0.491 5.026 4.527 0.014 0.000 0.305 209 F C 0.582 176.303 175.800 -0.133 0.000 1.090 209 F CA -0.598 57.286 58.000 -0.194 0.000 1.272 209 F CB 0.011 38.899 39.000 -0.186 0.000 1.060 209 F HN 0.124 nan 8.300 nan 0.000 0.576 210 R N 0.295 120.339 120.500 -0.761 0.000 2.950 210 R HA 0.283 4.631 4.340 0.014 0.000 0.253 210 R C -0.725 175.369 176.300 -0.343 0.000 1.168 210 R CA -1.155 54.631 56.100 -0.522 0.000 1.014 210 R CB 0.580 30.489 30.300 -0.651 0.000 1.228 210 R HN -0.062 nan 8.270 nan 0.000 0.487 211 D N 0.569 120.817 120.400 -0.253 0.000 2.378 211 D HA 0.141 4.789 4.640 0.014 0.000 0.238 211 D C -0.539 175.626 176.300 -0.225 0.000 1.180 211 D CA 0.325 54.215 54.000 -0.184 0.000 0.895 211 D CB 0.835 41.560 40.800 -0.125 0.000 1.192 211 D HN -0.021 nan 8.370 nan 0.000 0.438 212 V N 0.897 120.691 119.914 -0.200 0.000 2.540 212 V HA 0.552 4.680 4.120 0.014 0.000 0.302 212 V C -0.014 175.970 176.094 -0.184 0.000 1.035 212 V CA -0.540 61.581 62.300 -0.297 0.000 0.873 212 V CB 1.705 33.370 31.823 -0.263 0.000 0.992 212 V HN 0.758 nan 8.190 nan 0.000 0.428 213 S N 4.621 120.187 115.700 -0.222 0.000 2.618 213 S HA 0.842 5.321 4.470 0.014 0.000 0.277 213 S C -1.294 173.245 174.600 -0.102 0.000 1.138 213 S CA -0.938 57.195 58.200 -0.111 0.000 0.844 213 S CB 1.864 65.029 63.200 -0.058 0.000 1.127 213 S HN 0.452 nan 8.310 nan 0.000 0.474 214 L N 1.341 122.563 121.223 -0.001 0.000 2.346 214 L HA 0.716 5.064 4.340 0.014 0.000 0.276 214 L C -1.369 175.570 176.870 0.116 0.000 1.006 214 L CA -0.926 53.961 54.840 0.078 0.000 0.817 214 L CB 1.726 43.927 42.059 0.236 0.000 1.272 214 L HN 0.678 nan 8.230 nan 0.000 0.421 215 L N 2.998 124.240 121.223 0.032 0.000 2.409 215 L HA 0.417 4.766 4.340 0.014 0.000 0.272 215 L C -0.829 175.928 176.870 -0.188 0.000 0.980 215 L CA -0.092 54.721 54.840 -0.045 0.000 0.826 215 L CB 1.492 43.545 42.059 -0.009 0.000 1.268 215 L HN 0.523 nan 8.230 nan 0.000 0.407 216 H N 5.568 124.309 119.070 -0.548 0.000 2.623 216 H HA 0.412 4.977 4.556 0.014 0.000 0.299 216 H C -1.067 173.990 175.328 -0.451 0.000 1.052 216 H CA -0.739 54.836 56.048 -0.788 0.000 1.231 216 H CB 0.822 29.489 29.762 -1.824 0.000 1.389 216 H HN 0.512 nan 8.280 nan 0.000 0.469 217 K N 5.044 125.108 120.400 -0.561 0.000 2.166 217 K HA 0.373 4.701 4.320 0.014 0.000 0.245 217 K C -2.573 173.715 176.600 -0.520 0.000 0.967 217 K CA -1.996 54.023 56.287 -0.447 0.000 0.863 217 K CB 1.699 34.028 32.500 -0.286 0.000 1.107 217 K HN 0.500 nan 8.250 nan 0.000 0.436 218 P HA 0.058 nan 4.420 nan 0.000 0.274 218 P C 0.710 177.894 177.300 -0.194 0.000 1.246 218 P CA -0.072 62.873 63.100 -0.259 0.000 0.795 218 P CB 0.282 31.890 31.700 -0.153 0.000 1.006 219 T N -3.052 111.420 114.554 -0.135 0.000 2.857 219 T HA -0.036 4.322 4.350 0.014 0.000 0.266 219 T C 0.689 175.332 174.700 -0.094 0.000 1.048 219 T CA 1.207 63.248 62.100 -0.098 0.000 1.139 219 T CB -1.072 67.759 68.868 -0.062 0.000 0.874 219 T HN 0.299 nan 8.240 nan 0.000 0.455 220 T N 3.378 117.879 114.554 -0.087 0.000 2.738 220 T HA 0.477 4.835 4.350 0.014 0.000 0.298 220 T C -0.338 174.302 174.700 -0.100 0.000 0.962 220 T CA -0.717 61.326 62.100 -0.096 0.000 0.972 220 T CB 0.697 69.523 68.868 -0.070 0.000 0.928 220 T HN 0.693 nan 8.240 nan 0.000 0.474 221 Q N 2.456 122.185 119.800 -0.119 0.000 2.553 221 Q HA 0.617 4.966 4.340 0.014 0.000 0.293 221 Q C -1.157 174.776 176.000 -0.112 0.000 1.038 221 Q CA -1.180 54.546 55.803 -0.129 0.000 0.777 221 Q CB 1.347 29.984 28.738 -0.167 0.000 1.487 221 Q HN 0.446 nan 8.270 nan 0.000 0.426 222 I N 2.508 122.992 120.570 -0.144 0.000 2.452 222 I HA 0.006 4.185 4.170 0.014 0.000 0.287 222 I C 0.676 176.706 176.117 -0.145 0.000 1.079 222 I CA 0.139 61.377 61.300 -0.104 0.000 1.387 222 I CB 1.002 38.900 38.000 -0.170 0.000 1.404 222 I HN 0.891 nan 8.210 nan 0.000 0.522 223 S N 2.581 118.304 115.700 0.039 0.000 2.512 223 S HA 0.227 4.705 4.470 0.014 0.000 0.216 223 S C 0.098 174.918 174.600 0.367 0.000 1.006 223 S CA -0.325 57.963 58.200 0.147 0.000 0.915 223 S CB 0.339 63.577 63.200 0.063 0.000 0.824 223 S HN 0.710 nan 8.310 nan 0.000 0.497 224 D N -0.168 120.440 120.400 0.347 0.000 2.683 224 D HA 0.525 5.174 4.640 0.014 0.000 0.246 224 D C -1.916 174.568 176.300 0.306 0.000 1.238 224 D CA -0.704 53.498 54.000 0.337 0.000 0.759 224 D CB 1.560 42.457 40.800 0.161 0.000 1.349 224 D HN 0.190 nan 8.370 nan 0.000 0.426 225 F N -0.577 119.440 119.950 0.110 0.000 2.650 225 F HA 0.619 5.155 4.527 0.014 0.000 0.310 225 F C -1.558 174.312 175.800 0.117 0.000 1.112 225 F CA -0.766 57.225 58.000 -0.014 0.000 0.986 225 F CB 1.240 40.275 39.000 0.058 0.000 1.285 225 F HN 0.260 nan 8.300 nan 0.000 0.440 226 H N 1.864 121.022 119.070 0.146 0.000 2.589 226 H HA 0.735 5.300 4.556 0.014 0.000 0.351 226 H C -1.300 174.072 175.328 0.073 0.000 1.074 226 H CA -1.478 54.578 56.048 0.014 0.000 1.203 226 H CB 2.556 32.307 29.762 -0.019 0.000 1.558 226 H HN 0.616 nan 8.280 nan 0.000 0.522 227 V N 2.406 122.418 119.914 0.164 0.000 2.417 227 V HA 0.670 4.798 4.120 0.014 0.000 0.291 227 V C -0.133 175.956 176.094 -0.008 0.000 1.024 227 V CA -0.547 61.800 62.300 0.078 0.000 0.861 227 V CB 1.233 33.094 31.823 0.064 0.000 0.985 227 V HN 0.928 nan 8.190 nan 0.000 0.436 228 A N 3.364 126.158 122.820 -0.043 0.000 2.413 228 A HA 0.968 5.296 4.320 0.014 0.000 0.307 228 A C -0.161 177.328 177.584 -0.159 0.000 1.087 228 A CA -0.525 51.465 52.037 -0.078 0.000 0.750 228 A CB 2.060 21.036 19.000 -0.040 0.000 1.296 228 A HN 0.919 nan 8.150 nan 0.000 0.423 229 T N -0.222 114.219 114.554 -0.188 0.000 2.879 229 T HA 0.757 5.116 4.350 0.014 0.000 0.290 229 T C -0.521 173.955 174.700 -0.372 0.000 0.993 229 T CA -0.696 61.205 62.100 -0.333 0.000 0.975 229 T CB 1.121 69.711 68.868 -0.464 0.000 0.981 229 T HN 0.717 nan 8.240 nan 0.000 0.439 230 R N 1.689 121.899 120.500 -0.485 0.000 2.854 230 R HA 0.841 5.189 4.340 0.014 0.000 0.271 230 R C -1.207 174.683 176.300 -0.682 0.000 0.996 230 R CA -0.775 55.093 56.100 -0.387 0.000 0.961 230 R CB 1.597 31.809 30.300 -0.147 0.000 1.182 230 R HN 0.566 nan 8.270 nan 0.000 0.479 231 F N 0.060 119.987 119.950 -0.037 0.000 2.620 231 F HA 0.373 4.907 4.527 0.013 0.000 0.320 231 F C 0.383 176.043 175.800 -0.232 0.000 1.069 231 F CA -1.107 56.809 58.000 -0.140 0.000 0.953 231 F CB 1.148 39.940 39.000 -0.346 0.000 1.322 231 F HN 0.557 nan 8.300 nan 0.000 0.479 232 N N -0.020 118.660 118.700 -0.032 0.000 2.366 232 N HA 0.057 4.805 4.740 0.014 0.000 0.277 232 N C 0.476 175.848 175.510 -0.230 0.000 1.275 232 N CA -0.101 52.892 53.050 -0.096 0.000 0.964 232 N CB 0.028 38.488 38.487 -0.045 0.000 1.167 232 N HN 0.659 nan 8.380 nan 0.000 0.568 233 D N -1.401 118.915 120.400 -0.140 0.000 2.182 233 D HA -0.227 4.422 4.640 0.014 0.000 0.201 233 D C 0.303 176.524 176.300 -0.132 0.000 0.986 233 D CA 1.534 55.456 54.000 -0.132 0.000 0.847 233 D CB -0.561 40.217 40.800 -0.037 0.000 0.942 233 D HN 0.742 nan 8.370 nan 0.000 0.467 234 D N -1.638 118.725 120.400 -0.062 0.000 2.462 234 D HA 0.035 4.684 4.640 0.014 0.000 0.221 234 D C 0.080 176.519 176.300 0.232 0.000 1.173 234 D CA -0.975 53.094 54.000 0.115 0.000 0.831 234 D CB -0.965 39.904 40.800 0.116 0.000 1.001 234 D HN 0.177 nan 8.370 nan 0.000 0.499 235 F N 0.279 120.282 119.950 0.089 0.000 2.953 235 F HA -0.300 4.234 4.527 0.012 0.000 0.292 235 F C 1.708 177.582 175.800 0.123 0.000 0.747 235 F CA 0.844 58.903 58.000 0.098 0.000 1.222 235 F CB -2.462 36.492 39.000 -0.077 0.000 1.457 235 F HN 0.218 nan 8.300 nan 0.000 0.383 236 S N -1.148 114.657 115.700 0.175 0.000 2.528 236 S HA 0.245 4.723 4.470 0.014 0.000 0.219 236 S C 0.680 175.334 174.600 0.091 0.000 0.985 236 S CA 0.114 58.387 58.200 0.122 0.000 0.914 236 S CB 0.371 63.620 63.200 0.081 0.000 0.776 236 S HN 0.459 nan 8.310 nan 0.000 0.526 237 R N 0.078 120.638 120.500 0.099 0.000 2.673 237 R HA 0.785 5.133 4.340 0.014 0.000 0.281 237 R C -1.389 174.951 176.300 0.068 0.000 0.991 237 R CA -0.293 55.836 56.100 0.048 0.000 0.896 237 R CB 2.289 32.592 30.300 0.005 0.000 1.201 237 R HN 0.259 nan 8.270 nan 0.000 0.457 238 A N 1.706 124.510 122.820 -0.027 0.000 2.515 238 A HA 0.732 5.061 4.320 0.014 0.000 0.296 238 A C -1.275 176.230 177.584 -0.132 0.000 1.094 238 A CA -0.644 51.295 52.037 -0.164 0.000 0.718 238 A CB 1.992 20.878 19.000 -0.190 0.000 1.307 238 A HN 0.345 nan 8.150 nan 0.000 0.408 239 V N 1.716 121.521 119.914 -0.182 0.000 2.448 239 V HA 0.439 4.568 4.120 0.014 0.000 0.295 239 V C -0.415 175.615 176.094 -0.107 0.000 1.025 239 V CA -0.390 61.844 62.300 -0.109 0.000 0.859 239 V CB 1.406 33.168 31.823 -0.102 0.000 0.988 239 V HN 0.791 nan 8.190 nan 0.000 0.431 240 L N 4.621 125.820 121.223 -0.039 0.000 2.264 240 L HA 0.606 4.955 4.340 0.014 0.000 0.289 240 L C -0.027 176.805 176.870 -0.063 0.000 1.044 240 L CA -0.013 54.787 54.840 -0.067 0.000 0.807 240 L CB 1.082 43.131 42.059 -0.017 0.000 1.192 240 L HN 0.792 nan 8.230 nan 0.000 0.425 241 E N 4.435 124.594 120.200 -0.069 0.000 2.176 241 E HA 0.663 5.021 4.350 0.014 0.000 0.267 241 E C -1.453 175.137 176.600 -0.016 0.000 0.893 241 E CA -0.749 55.626 56.400 -0.042 0.000 0.761 241 E CB 1.734 31.409 29.700 -0.042 0.000 1.133 241 E HN 0.706 nan 8.360 nan 0.000 0.409 242 A N 4.586 127.401 122.820 -0.007 0.000 2.332 242 A HA 0.322 4.650 4.320 0.014 0.000 0.300 242 A C -0.721 176.867 177.584 0.006 0.000 1.153 242 A CA -0.671 51.383 52.037 0.029 0.000 0.764 242 A CB 1.163 20.180 19.000 0.028 0.000 1.174 242 A HN 0.739 nan 8.150 nan 0.000 0.467 243 E N 2.347 122.549 120.200 0.004 0.000 2.200 243 E HA 0.532 4.891 4.350 0.014 0.000 0.283 243 E C -1.263 175.287 176.600 -0.083 0.000 1.015 243 E CA -0.315 56.044 56.400 -0.068 0.000 0.819 243 E CB 1.067 30.689 29.700 -0.130 0.000 1.081 243 E HN 0.393 nan 8.360 nan 0.000 0.397 244 V N 4.810 124.698 119.914 -0.044 0.000 2.540 244 V HA 0.284 4.412 4.120 0.014 0.000 0.302 244 V C -0.486 175.663 176.094 0.091 0.000 1.035 244 V CA -0.804 61.517 62.300 0.035 0.000 0.873 244 V CB 1.752 33.580 31.823 0.008 0.000 0.992 244 V HN 0.739 nan 8.190 nan 0.000 0.428 245 Q N 4.033 123.889 119.800 0.095 0.000 2.345 245 Q HA 0.817 5.165 4.340 0.014 0.000 0.268 245 Q C -0.809 175.251 176.000 0.101 0.000 1.054 245 Q CA -0.875 54.982 55.803 0.091 0.000 0.835 245 Q CB 2.654 31.386 28.738 -0.010 0.000 1.339 245 Q HN 0.812 nan 8.270 nan 0.000 0.447 246 M N -0.843 118.744 119.600 -0.022 0.000 2.716 246 M HA 0.743 5.232 4.480 0.014 0.000 0.307 246 M C -1.286 174.920 176.300 -0.156 0.000 1.223 246 M CA -0.513 54.697 55.300 -0.150 0.000 0.871 246 M CB 1.526 33.842 32.600 -0.473 0.000 1.739 246 M HN 0.498 nan 8.290 nan 0.000 0.475 247 C N 0.847 120.065 119.300 -0.137 0.000 2.614 247 C HA 1.036 5.505 4.460 0.014 0.000 0.320 247 C C 0.592 175.501 174.990 -0.134 0.000 1.200 247 C CA 0.565 59.517 59.018 -0.111 0.000 1.700 247 C CB 0.956 28.657 27.740 -0.065 0.000 2.275 247 C HN 1.388 nan 8.230 nan 0.000 0.492 248 G N 1.698 110.428 108.800 -0.117 0.000 2.373 248 G HA2 0.041 4.010 3.960 0.014 0.000 0.634 248 G HA3 0.041 4.010 3.960 0.014 0.000 0.634 248 G C -1.155 173.666 174.900 -0.131 0.000 1.267 248 G CA -0.575 44.457 45.100 -0.113 0.000 1.008 248 G HN 0.913 nan 8.290 nan 0.000 0.497 249 E N -0.021 120.108 120.200 -0.118 0.000 2.194 249 E HA 0.476 4.834 4.350 0.014 0.000 0.284 249 E C 0.511 177.005 176.600 -0.176 0.000 1.035 249 E CA -0.563 55.764 56.400 -0.121 0.000 0.836 249 E CB 0.349 30.001 29.700 -0.080 0.000 1.070 249 E HN 0.470 nan 8.360 nan 0.000 0.401 250 L N 4.859 125.966 121.223 -0.194 0.000 2.456 250 L HA 0.240 4.588 4.340 0.014 0.000 0.272 250 L C 0.512 177.240 176.870 -0.237 0.000 1.189 250 L CA 0.131 54.828 54.840 -0.237 0.000 0.846 250 L CB 0.321 42.265 42.059 -0.193 0.000 1.111 250 L HN 0.468 nan 8.230 nan 0.000 0.475 251 R N 1.455 121.756 120.500 -0.331 0.000 2.698 251 R HA 0.191 4.540 4.340 0.014 0.000 0.275 251 R C -0.263 175.773 176.300 -0.440 0.000 1.001 251 R CA -0.797 55.012 56.100 -0.483 0.000 0.896 251 R CB 1.607 31.285 30.300 -1.037 0.000 1.218 251 R HN 0.509 nan 8.270 nan 0.000 0.462 252 D N 0.970 121.200 120.400 -0.283 0.000 2.263 252 D HA -0.137 4.512 4.640 0.014 0.000 0.208 252 D C 1.462 177.722 176.300 -0.067 0.000 0.971 252 D CA 1.487 55.413 54.000 -0.123 0.000 0.867 252 D CB 0.077 40.859 40.800 -0.030 0.000 0.929 252 D HN 0.575 nan 8.370 nan 0.000 0.492 253 Y N -0.327 119.983 120.300 0.017 0.000 2.529 253 Y HA 0.280 4.838 4.550 0.014 0.000 0.290 253 Y C 0.698 176.600 175.900 0.003 0.000 1.177 253 Y CA -0.488 57.618 58.100 0.011 0.000 1.305 253 Y CB -0.886 37.582 38.460 0.013 0.000 1.047 253 Y HN -0.196 nan 8.280 nan 0.000 0.522 254 L N 2.467 123.649 121.223 -0.067 0.000 2.436 254 L HA 0.358 4.706 4.340 0.014 0.000 0.265 254 L C 0.228 177.092 176.870 -0.009 0.000 1.168 254 L CA -0.261 54.611 54.840 0.055 0.000 0.815 254 L CB 0.549 42.653 42.059 0.076 0.000 1.109 254 L HN 0.148 nan 8.230 nan 0.000 0.462 255 R N 1.490 121.871 120.500 -0.198 0.000 2.799 255 R HA 0.700 5.049 4.340 0.014 0.000 0.270 255 R C -1.521 174.440 176.300 -0.565 0.000 1.010 255 R CA -0.813 55.026 56.100 -0.435 0.000 0.916 255 R CB 2.101 32.044 30.300 -0.595 0.000 1.228 255 R HN 0.270 nan 8.270 nan 0.000 0.469 256 V N 0.683 120.297 119.914 -0.499 0.000 2.656 256 V HA 0.527 4.655 4.120 0.014 0.000 0.307 256 V C -0.293 175.746 176.094 -0.091 0.000 1.051 256 V CA -0.585 61.529 62.300 -0.310 0.000 0.893 256 V CB 2.326 33.902 31.823 -0.412 0.000 0.999 256 V HN 0.721 nan 8.190 nan 0.000 0.426 257 T N 3.519 118.137 114.554 0.106 0.000 2.824 257 T HA 0.613 4.971 4.350 0.014 0.000 0.282 257 T C -0.701 174.005 174.700 0.011 0.000 0.993 257 T CA -0.359 61.798 62.100 0.094 0.000 0.967 257 T CB 1.725 70.676 68.868 0.138 0.000 0.960 257 T HN 0.353 nan 8.240 nan 0.000 0.441 258 V N 3.259 123.159 119.914 -0.023 0.000 2.384 258 V HA 0.569 4.698 4.120 0.014 0.000 0.287 258 V C -0.140 175.943 176.094 -0.019 0.000 1.020 258 V CA -0.577 61.705 62.300 -0.030 0.000 0.850 258 V CB 1.747 33.542 31.823 -0.046 0.000 0.987 258 V HN 0.947 nan 8.190 nan 0.000 0.436 259 S N 4.860 120.571 115.700 0.019 0.000 2.513 259 S HA 0.758 5.237 4.470 0.014 0.000 0.299 259 S C -0.869 173.742 174.600 0.018 0.000 1.087 259 S CA -0.489 57.695 58.200 -0.027 0.000 1.012 259 S CB 1.872 65.088 63.200 0.026 0.000 1.044 259 S HN 0.557 nan 8.310 nan 0.000 0.485 260 L N 2.804 123.948 121.223 -0.131 0.000 2.322 260 L HA 0.715 5.064 4.340 0.014 0.000 0.281 260 L C -1.976 174.836 176.870 -0.096 0.000 1.014 260 L CA -0.193 54.661 54.840 0.024 0.000 0.815 260 L CB 0.690 42.767 42.059 0.030 0.000 1.247 260 L HN 0.728 nan 8.230 nan 0.000 0.421 261 W N 3.647 125.053 121.300 0.176 0.000 2.666 261 W HA 0.574 5.243 4.660 0.014 0.000 0.334 261 W C -0.496 176.157 176.519 0.223 0.000 1.051 261 W CA -0.434 57.003 57.345 0.153 0.000 1.224 261 W CB 1.445 30.942 29.460 0.062 0.000 1.405 261 W HN 0.415 nan 8.180 nan 0.000 0.513 262 Q N 2.757 122.762 119.800 0.342 0.000 2.456 262 Q HA 0.482 4.830 4.340 0.014 0.000 0.252 262 Q C 0.738 176.791 176.000 0.089 0.000 1.042 262 Q CA 0.500 56.342 55.803 0.065 0.000 0.766 262 Q CB 0.531 29.263 28.738 -0.011 0.000 1.196 262 Q HN 0.780 nan 8.270 nan 0.000 0.504 263 G N 3.152 111.992 108.800 0.067 0.000 2.550 263 G HA2 -0.364 3.604 3.960 0.014 0.000 0.277 263 G HA3 -0.364 3.604 3.960 0.014 0.000 0.277 263 G C 0.230 175.214 174.900 0.141 0.000 1.190 263 G CA 0.366 45.502 45.100 0.060 0.000 0.971 263 G HN 0.726 nan 8.290 nan 0.000 0.559 264 E N 0.721 120.996 120.200 0.125 0.000 2.476 264 E HA 0.230 4.589 4.350 0.014 0.000 0.191 264 E C 0.235 177.056 176.600 0.369 0.000 1.064 264 E CA 0.544 57.044 56.400 0.167 0.000 0.866 264 E CB 0.233 29.972 29.700 0.064 0.000 0.952 264 E HN 0.302 nan 8.360 nan 0.000 0.492 265 T N 1.149 115.914 114.554 0.352 0.000 2.797 265 T HA 0.134 4.492 4.350 0.014 0.000 0.279 265 T C -0.432 174.322 174.700 0.091 0.000 0.991 265 T CA -0.548 61.688 62.100 0.226 0.000 0.979 265 T CB 1.844 70.768 68.868 0.094 0.000 0.943 265 T HN 0.019 nan 8.240 nan 0.000 0.444 266 Q N 2.639 122.223 119.800 -0.361 0.000 2.295 266 Q HA 0.318 4.666 4.340 0.014 0.000 0.259 266 Q C 0.887 176.637 176.000 -0.418 0.000 0.976 266 Q CA -0.423 54.821 55.803 -0.931 0.000 0.923 266 Q CB 0.735 28.640 28.738 -1.389 0.000 1.185 266 Q HN 0.684 nan 8.270 nan 0.000 0.410 267 V N 0.775 120.515 119.914 -0.291 0.000 3.565 267 V HA 0.625 4.754 4.120 0.014 0.000 0.260 267 V C 0.246 176.249 176.094 -0.152 0.000 1.231 267 V CA 0.642 62.861 62.300 -0.136 0.000 1.100 267 V CB 0.165 31.987 31.823 -0.001 0.000 0.807 267 V HN 0.639 nan 8.190 nan 0.000 0.454 268 A N -0.794 121.904 122.820 -0.202 0.000 2.608 268 A HA 0.834 5.163 4.320 0.014 0.000 0.292 268 A C -0.704 176.774 177.584 -0.177 0.000 1.066 268 A CA 0.224 52.167 52.037 -0.155 0.000 0.676 268 A CB 1.589 20.526 19.000 -0.106 0.000 1.277 268 A HN 0.631 nan 8.150 nan 0.000 0.413 269 S N -1.154 114.469 115.700 -0.128 0.000 2.547 269 S HA 0.794 5.272 4.470 0.014 0.000 0.270 269 S C -0.637 173.919 174.600 -0.073 0.000 1.150 269 S CA 0.189 58.323 58.200 -0.110 0.000 0.850 269 S CB 1.717 64.840 63.200 -0.128 0.000 1.118 269 S HN 2.300 nan 8.310 nan 0.000 0.461 270 G N 1.432 110.199 108.800 -0.055 0.000 2.719 270 G HA2 0.638 4.607 3.960 0.014 0.000 0.298 270 G HA3 0.638 4.607 3.960 0.014 0.000 0.298 270 G C -1.411 173.469 174.900 -0.034 0.000 1.411 270 G CA -0.379 44.693 45.100 -0.047 0.000 0.991 270 G HN 0.685 nan 8.290 nan 0.000 0.509 271 T N -0.013 114.524 114.554 -0.027 0.000 2.893 271 T HA 0.849 5.207 4.350 0.014 0.000 0.293 271 T C -0.282 174.386 174.700 -0.053 0.000 1.027 271 T CA -0.030 62.063 62.100 -0.011 0.000 0.988 271 T CB 1.806 70.703 68.868 0.050 0.000 1.043 271 T HN 1.488 nan 8.240 nan 0.000 0.461 272 A N 3.532 126.287 122.820 -0.108 0.000 2.610 272 A HA 0.926 5.254 4.320 0.014 0.000 0.291 272 A C -3.095 174.366 177.584 -0.206 0.000 1.086 272 A CA -1.586 50.373 52.037 -0.130 0.000 0.677 272 A CB 1.154 20.074 19.000 -0.133 0.000 1.278 272 A HN 0.535 nan 8.150 nan 0.000 0.414 273 P HA 0.536 nan 4.420 nan 0.000 0.276 273 P C -0.621 176.558 177.300 -0.202 0.000 1.261 273 P CA -0.265 62.746 63.100 -0.149 0.000 0.800 273 P CB 0.286 31.959 31.700 -0.045 0.000 1.066 274 F N -0.195 119.714 119.950 -0.068 0.000 2.450 274 F HA 0.485 5.020 4.527 0.014 0.000 0.339 274 F C 1.428 177.209 175.800 -0.033 0.000 1.146 274 F CA 1.482 59.451 58.000 -0.051 0.000 1.267 274 F CB 0.188 39.152 39.000 -0.060 0.000 1.178 274 F HN 0.563 nan 8.300 nan 0.000 0.585 275 G N 1.512 110.428 108.800 0.193 0.000 2.789 275 G HA2 0.377 4.345 3.960 0.014 0.000 0.353 275 G HA3 0.377 4.345 3.960 0.014 0.000 0.353 275 G C -0.478 174.472 174.900 0.083 0.000 1.220 275 G CA -0.715 44.456 45.100 0.119 0.000 1.204 275 G HN 1.029 nan 8.290 nan 0.000 0.574 276 G N 0.648 109.517 108.800 0.115 0.000 2.588 276 G HA2 0.703 4.672 3.960 0.014 0.000 0.281 276 G HA3 0.703 4.672 3.960 0.014 0.000 0.281 276 G C 0.428 175.370 174.900 0.069 0.000 1.236 276 G CA -0.036 45.122 45.100 0.096 0.000 0.969 276 G HN 1.078 nan 8.290 nan 0.000 0.504 277 E N -0.870 119.365 120.200 0.057 0.000 2.409 277 E HA 0.237 4.596 4.350 0.014 0.000 0.257 277 E C 0.045 176.668 176.600 0.039 0.000 1.150 277 E CA -0.558 55.864 56.400 0.037 0.000 0.942 277 E CB 0.991 30.708 29.700 0.029 0.000 0.979 277 E HN 0.282 nan 8.360 nan 0.000 0.447 278 I N 1.977 122.558 120.570 0.018 0.000 2.710 278 I HA -0.087 4.092 4.170 0.014 0.000 0.286 278 I C 1.041 177.165 176.117 0.012 0.000 1.181 278 I CA 0.520 61.823 61.300 0.004 0.000 1.430 278 I CB 0.211 38.209 38.000 -0.004 0.000 1.367 278 I HN 0.679 nan 8.210 nan 0.000 0.577 279 I N 1.487 122.056 120.570 -0.001 0.000 4.312 279 I HA 0.288 4.467 4.170 0.014 0.000 0.324 279 I C -0.123 175.991 176.117 -0.005 0.000 1.298 279 I CA 0.045 61.354 61.300 0.015 0.000 1.231 279 I CB 0.541 38.578 38.000 0.062 0.000 1.152 279 I HN 0.619 nan 8.210 nan 0.000 0.421 280 D N -0.398 119.984 120.400 -0.029 0.000 2.946 280 D HA 0.176 4.824 4.640 0.014 0.000 0.337 280 D C 0.225 176.506 176.300 -0.032 0.000 1.332 280 D CA -0.501 53.484 54.000 -0.026 0.000 0.935 280 D CB 0.414 41.198 40.800 -0.026 0.000 1.440 280 D HN -0.114 nan 8.370 nan 0.000 0.540 281 E N -1.110 119.074 120.200 -0.027 0.000 2.333 281 E HA -0.006 4.353 4.350 0.014 0.000 0.198 281 E C 1.189 177.768 176.600 -0.035 0.000 1.007 281 E CA 0.826 57.210 56.400 -0.026 0.000 0.845 281 E CB -0.000 29.688 29.700 -0.020 0.000 0.766 281 E HN 0.202 nan 8.360 nan 0.000 0.507 282 R N -0.374 120.096 120.500 -0.050 0.000 2.334 282 R HA 0.304 4.652 4.340 0.014 0.000 0.216 282 R C 0.781 177.036 176.300 -0.075 0.000 0.905 282 R CA 0.657 56.721 56.100 -0.060 0.000 1.064 282 R CB 0.753 31.011 30.300 -0.070 0.000 1.046 282 R HN 0.201 nan 8.270 nan 0.000 0.508 283 G N -0.475 108.281 108.800 -0.072 0.000 2.408 283 G HA2 -0.106 3.863 3.960 0.014 0.000 0.204 283 G HA3 -0.106 3.863 3.960 0.014 0.000 0.204 283 G C -0.241 174.602 174.900 -0.096 0.000 1.186 283 G CA -0.608 44.450 45.100 -0.070 0.000 1.139 283 G HN 0.466 nan 8.290 nan 0.000 0.563 284 G N -2.005 106.734 108.800 -0.102 0.000 3.086 284 G HA2 0.630 4.598 3.960 0.014 0.000 0.282 284 G HA3 0.630 4.598 3.960 0.014 0.000 0.282 284 G C -1.556 173.238 174.900 -0.177 0.000 1.343 284 G CA -0.698 44.340 45.100 -0.104 0.000 0.895 284 G HN 0.777 nan 8.290 nan 0.000 0.557 285 Y N 1.212 121.522 120.300 0.017 0.000 2.556 285 Y HA 0.408 4.966 4.550 0.014 0.000 0.352 285 Y C 1.500 177.419 175.900 0.031 0.000 1.006 285 Y CA 0.162 58.274 58.100 0.021 0.000 1.277 285 Y CB 1.576 40.054 38.460 0.029 0.000 1.136 285 Y HN 0.536 nan 8.280 nan 0.000 0.523 286 A N 1.744 124.630 122.820 0.110 0.000 2.119 286 A HA -0.141 4.188 4.320 0.014 0.000 0.217 286 A C 1.310 178.953 177.584 0.099 0.000 1.153 286 A CA 1.332 53.420 52.037 0.086 0.000 0.692 286 A CB -0.285 18.726 19.000 0.017 0.000 0.799 286 A HN 0.783 nan 8.150 nan 0.000 0.458 287 D N -0.800 119.657 120.400 0.094 0.000 2.427 287 D HA 0.152 4.801 4.640 0.014 0.000 0.224 287 D C 0.439 176.810 176.300 0.118 0.000 1.157 287 D CA -0.066 53.903 54.000 -0.052 0.000 0.828 287 D CB -0.027 40.731 40.800 -0.070 0.000 0.974 287 D HN 0.412 nan 8.370 nan 0.000 0.498 288 R N -0.842 119.852 120.500 0.322 0.000 2.799 288 R HA 0.758 5.107 4.340 0.014 0.000 0.270 288 R C -1.589 174.863 176.300 0.253 0.000 1.010 288 R CA -1.171 55.110 56.100 0.301 0.000 0.916 288 R CB 2.977 33.322 30.300 0.074 0.000 1.228 288 R HN -0.020 nan 8.270 nan 0.000 0.469 289 V N 0.096 120.051 119.914 0.068 0.000 3.048 289 V HA 0.536 4.664 4.120 0.014 0.000 0.303 289 V C -1.599 174.450 176.094 -0.076 0.000 1.214 289 V CA -0.272 61.989 62.300 -0.065 0.000 0.984 289 V CB 2.794 34.452 31.823 -0.275 0.000 1.054 289 V HN 0.813 nan 8.190 nan 0.000 0.430 290 T N 7.077 121.593 114.554 -0.063 0.000 2.809 290 T HA 0.594 4.952 4.350 0.014 0.000 0.284 290 T C -0.967 173.697 174.700 -0.061 0.000 0.992 290 T CA -0.391 61.678 62.100 -0.052 0.000 0.957 290 T CB 1.055 69.906 68.868 -0.028 0.000 0.942 290 T HN 0.482 nan 8.240 nan 0.000 0.439 291 L N 3.545 124.731 121.223 -0.062 0.000 2.325 291 L HA 0.595 4.943 4.340 0.014 0.000 0.279 291 L C 0.467 177.309 176.870 -0.047 0.000 1.054 291 L CA -0.436 54.367 54.840 -0.061 0.000 0.804 291 L CB 1.316 43.335 42.059 -0.066 0.000 1.200 291 L HN 0.544 nan 8.230 nan 0.000 0.436 292 R N 3.020 123.493 120.500 -0.046 0.000 2.476 292 R HA 0.649 4.998 4.340 0.014 0.000 0.305 292 R C -1.399 174.875 176.300 -0.045 0.000 0.965 292 R CA -0.888 55.185 56.100 -0.044 0.000 0.867 292 R CB 2.081 32.356 30.300 -0.042 0.000 1.176 292 R HN 0.252 nan 8.270 nan 0.000 0.447 293 L N 2.582 123.779 121.223 -0.043 0.000 2.333 293 L HA 0.360 4.708 4.340 0.014 0.000 0.280 293 L C -0.160 176.683 176.870 -0.045 0.000 1.004 293 L CA -0.327 54.487 54.840 -0.044 0.000 0.820 293 L CB 1.762 43.799 42.059 -0.037 0.000 1.247 293 L HN 0.514 nan 8.230 nan 0.000 0.416 294 N N 1.747 120.416 118.700 -0.053 0.000 2.488 294 N HA 0.517 5.266 4.740 0.014 0.000 0.274 294 N C -1.174 174.292 175.510 -0.073 0.000 1.111 294 N CA -0.397 52.619 53.050 -0.058 0.000 0.974 294 N CB 1.451 39.906 38.487 -0.052 0.000 1.089 294 N HN 0.219 nan 8.380 nan 0.000 0.465 295 V N 2.409 122.267 119.914 -0.094 0.000 2.409 295 V HA 0.192 4.320 4.120 0.014 0.000 0.290 295 V C -0.271 175.740 176.094 -0.138 0.000 1.017 295 V CA -0.831 61.374 62.300 -0.158 0.000 0.841 295 V CB 1.417 33.054 31.823 -0.310 0.000 1.003 295 V HN 0.588 nan 8.190 nan 0.000 0.426 296 E N 2.908 123.050 120.200 -0.096 0.000 2.331 296 E HA 0.238 4.597 4.350 0.014 0.000 0.272 296 E C 0.340 176.913 176.600 -0.046 0.000 1.036 296 E CA -0.218 56.150 56.400 -0.054 0.000 0.864 296 E CB 0.457 30.137 29.700 -0.034 0.000 1.035 296 E HN 0.734 nan 8.360 nan 0.000 0.408 297 N N 1.370 120.067 118.700 -0.005 0.000 2.686 297 N HA -0.159 4.590 4.740 0.014 0.000 0.261 297 N C -2.465 173.047 175.510 0.004 0.000 1.001 297 N CA 0.186 53.250 53.050 0.023 0.000 0.764 297 N CB -0.942 37.560 38.487 0.024 0.000 0.898 297 N HN 0.294 nan 8.380 nan 0.000 0.544 298 P HA 0.015 nan 4.420 nan 0.000 0.271 298 P C -0.357 176.978 177.300 0.058 0.000 1.218 298 P CA 0.221 63.235 63.100 -0.143 0.000 0.780 298 P CB 0.763 32.163 31.700 -0.499 0.000 0.901 299 K N 2.543 123.058 120.400 0.193 0.000 2.349 299 K HA 0.257 4.586 4.320 0.014 0.000 0.289 299 K C 0.189 176.956 176.600 0.279 0.000 1.064 299 K CA -0.264 56.137 56.287 0.190 0.000 0.947 299 K CB 0.152 32.728 32.500 0.127 0.000 1.007 299 K HN 0.440 nan 8.250 nan 0.000 0.478 300 L N 2.632 123.942 121.223 0.144 0.000 2.375 300 L HA 0.336 4.684 4.340 0.014 0.000 0.271 300 L C -0.052 176.891 176.870 0.120 0.000 1.107 300 L CA -0.914 54.009 54.840 0.139 0.000 0.806 300 L CB 0.540 42.515 42.059 -0.141 0.000 1.146 300 L HN 0.606 nan 8.230 nan 0.000 0.447 301 W N 3.051 124.370 121.300 0.032 0.000 2.365 301 W HA 0.493 5.160 4.660 0.013 0.000 0.316 301 W C -0.056 176.401 176.519 -0.103 0.000 1.164 301 W CA 0.079 57.429 57.345 0.009 0.000 1.204 301 W CB 1.367 30.886 29.460 0.098 0.000 1.213 301 W HN 0.614 nan 8.180 nan 0.000 0.539 302 S N 3.014 118.208 115.700 -0.842 0.000 2.615 302 S HA 0.625 5.103 4.470 0.014 0.000 0.269 302 S C 0.154 173.970 174.600 -1.307 0.000 1.161 302 S CA -0.379 57.346 58.200 -0.792 0.000 0.817 302 S CB 1.137 64.087 63.200 -0.416 0.000 1.131 302 S HN 1.006 nan 8.310 nan 0.000 0.467 303 A N 0.648 122.823 122.820 -1.075 0.000 1.972 303 A HA -0.004 4.324 4.320 0.014 0.000 0.219 303 A C 1.792 179.034 177.584 -0.570 0.000 1.169 303 A CA 1.668 53.109 52.037 -0.995 0.000 0.635 303 A CB -1.028 17.249 19.000 -1.205 0.000 0.810 303 A HN 0.889 nan 8.150 nan 0.000 0.446 304 E N -0.853 119.152 120.200 -0.325 0.000 2.072 304 E HA 0.002 4.360 4.350 0.014 0.000 0.191 304 E C -0.147 176.305 176.600 -0.246 0.000 0.985 304 E CA 0.783 57.059 56.400 -0.207 0.000 0.801 304 E CB -0.027 29.685 29.700 0.019 0.000 0.750 304 E HN 0.607 nan 8.360 nan 0.000 0.452 305 I N 1.705 122.103 120.570 -0.287 0.000 2.583 305 I HA 0.143 4.322 4.170 0.014 0.000 0.276 305 I C -2.459 173.430 176.117 -0.380 0.000 1.089 305 I CA -1.779 59.376 61.300 -0.242 0.000 1.103 305 I CB 2.131 40.045 38.000 -0.144 0.000 1.209 305 I HN -0.203 nan 8.210 nan 0.000 0.484 306 P HA 0.061 nan 4.420 nan 0.000 0.226 306 P C -0.558 176.691 177.300 -0.084 0.000 1.783 306 P CA -0.198 62.561 63.100 -0.568 0.000 0.980 306 P CB -0.286 31.221 31.700 -0.323 0.000 1.967 307 N N 1.675 120.362 118.700 -0.022 0.000 2.454 307 N HA 0.127 4.876 4.740 0.014 0.000 0.260 307 N C 0.118 175.829 175.510 0.335 0.000 1.218 307 N CA 0.466 53.586 53.050 0.117 0.000 0.904 307 N CB 0.778 39.330 38.487 0.108 0.000 1.065 307 N HN 0.315 nan 8.380 nan 0.000 0.462 308 L N 2.266 123.615 121.223 0.209 0.000 2.388 308 L HA 0.470 4.819 4.340 0.014 0.000 0.264 308 L C -0.813 176.149 176.870 0.153 0.000 0.998 308 L CA -0.850 54.167 54.840 0.297 0.000 0.817 308 L CB 1.343 43.542 42.059 0.234 0.000 1.338 308 L HN 0.395 nan 8.230 nan 0.000 0.414 309 Y N 0.292 120.742 120.300 0.251 0.000 2.631 309 Y HA 0.650 5.209 4.550 0.014 0.000 0.328 309 Y C -0.164 175.855 175.900 0.197 0.000 1.118 309 Y CA -0.788 57.459 58.100 0.244 0.000 1.206 309 Y CB 1.589 40.254 38.460 0.341 0.000 1.337 309 Y HN 0.374 nan 8.280 nan 0.000 0.515 310 R N 0.992 121.725 120.500 0.388 0.000 2.437 310 R HA 0.782 5.131 4.340 0.014 0.000 0.310 310 R C -1.608 174.873 176.300 0.303 0.000 0.955 310 R CA -0.515 55.739 56.100 0.256 0.000 0.851 310 R CB 1.026 31.412 30.300 0.144 0.000 1.161 310 R HN 0.731 nan 8.270 nan 0.000 0.446 311 A N 3.883 126.823 122.820 0.201 0.000 2.276 311 A HA 0.615 4.943 4.320 0.014 0.000 0.316 311 A C -1.002 176.630 177.584 0.079 0.000 1.229 311 A CA -0.631 51.502 52.037 0.160 0.000 0.851 311 A CB 1.218 20.279 19.000 0.102 0.000 1.165 311 A HN 0.490 nan 8.150 nan 0.000 0.513 312 V N 3.460 123.429 119.914 0.092 0.000 2.448 312 V HA 0.380 4.508 4.120 0.014 0.000 0.295 312 V C -0.348 175.708 176.094 -0.064 0.000 1.025 312 V CA -0.498 61.792 62.300 -0.017 0.000 0.859 312 V CB 1.628 33.461 31.823 0.017 0.000 0.988 312 V HN 0.621 nan 8.190 nan 0.000 0.431 313 V N 4.922 124.724 119.914 -0.186 0.000 2.328 313 V HA 0.429 4.557 4.120 0.014 0.000 0.278 313 V C -0.053 175.971 176.094 -0.115 0.000 1.021 313 V CA -0.553 61.616 62.300 -0.217 0.000 0.838 313 V CB 1.277 32.792 31.823 -0.513 0.000 0.999 313 V HN 0.926 nan 8.190 nan 0.000 0.447 314 E N 3.837 124.025 120.200 -0.021 0.000 2.171 314 E HA 0.521 4.880 4.350 0.014 0.000 0.271 314 E C -1.088 175.587 176.600 0.125 0.000 0.916 314 E CA -0.908 55.530 56.400 0.063 0.000 0.774 314 E CB 2.540 32.303 29.700 0.105 0.000 1.128 314 E HN 0.449 nan 8.360 nan 0.000 0.403 315 L N 4.621 125.904 121.223 0.100 0.000 2.262 315 L HA 0.384 4.733 4.340 0.014 0.000 0.288 315 L C -1.027 175.934 176.870 0.151 0.000 1.035 315 L CA 0.057 54.951 54.840 0.090 0.000 0.820 315 L CB -0.143 41.962 42.059 0.078 0.000 1.204 315 L HN 0.686 nan 8.230 nan 0.000 0.424 316 H N 0.543 119.654 119.070 0.069 0.000 2.942 316 H HA 0.829 5.394 4.556 0.014 0.000 0.316 316 H C -0.737 174.661 175.328 0.115 0.000 1.323 316 H CA -0.427 55.663 56.048 0.071 0.000 1.144 316 H CB 0.860 30.643 29.762 0.036 0.000 1.866 316 H HN 0.457 nan 8.280 nan 0.000 0.545 317 T N -2.398 112.301 114.554 0.242 0.000 2.944 317 T HA 0.587 4.945 4.350 0.014 0.000 0.284 317 T C 1.299 176.143 174.700 0.240 0.000 1.010 317 T CA -0.407 61.817 62.100 0.206 0.000 1.025 317 T CB 1.544 70.480 68.868 0.115 0.000 1.079 317 T HN 0.948 nan 8.240 nan 0.000 0.516 318 A N 0.401 123.321 122.820 0.167 0.000 1.972 318 A HA -0.012 4.317 4.320 0.014 0.000 0.219 318 A C 1.759 179.421 177.584 0.130 0.000 1.169 318 A CA 1.241 53.365 52.037 0.145 0.000 0.635 318 A CB -0.722 18.342 19.000 0.106 0.000 0.810 318 A HN 0.904 nan 8.150 nan 0.000 0.446 319 D N -1.293 119.160 120.400 0.088 0.000 2.336 319 D HA 0.288 4.937 4.640 0.014 0.000 0.228 319 D C 1.155 177.484 176.300 0.047 0.000 1.120 319 D CA 0.944 54.973 54.000 0.049 0.000 0.839 319 D CB 0.191 40.996 40.800 0.007 0.000 0.932 319 D HN 0.586 nan 8.370 nan 0.000 0.509 320 G N 0.644 109.501 108.800 0.095 0.000 2.179 320 G HA2 -0.219 3.750 3.960 0.014 0.000 0.220 320 G HA3 -0.219 3.750 3.960 0.014 0.000 0.220 320 G C 0.532 175.456 174.900 0.040 0.000 0.990 320 G CA -0.187 44.939 45.100 0.044 0.000 0.646 320 G HN 0.257 nan 8.290 nan 0.000 0.517 321 T N 1.382 115.977 114.554 0.068 0.000 2.817 321 T HA 0.551 4.909 4.350 0.014 0.000 0.293 321 T C 0.162 174.921 174.700 0.100 0.000 0.964 321 T CA -0.209 61.923 62.100 0.053 0.000 1.085 321 T CB 1.906 70.788 68.868 0.024 0.000 0.921 321 T HN 0.552 nan 8.240 nan 0.000 0.502 322 L N 4.475 125.741 121.223 0.073 0.000 2.331 322 L HA 0.414 4.763 4.340 0.014 0.000 0.278 322 L C 0.697 177.619 176.870 0.088 0.000 1.106 322 L CA 0.299 55.198 54.840 0.098 0.000 0.824 322 L CB 0.281 42.374 42.059 0.056 0.000 1.142 322 L HN 0.713 nan 8.230 nan 0.000 0.443 323 I N 2.583 123.213 120.570 0.100 0.000 2.556 323 I HA 0.121 4.300 4.170 0.014 0.000 0.251 323 I C 0.207 176.344 176.117 0.034 0.000 1.105 323 I CA 0.464 61.802 61.300 0.063 0.000 1.436 323 I CB 0.169 38.211 38.000 0.071 0.000 1.139 323 I HN 0.809 nan 8.210 nan 0.000 0.438 324 E N -0.132 120.089 120.200 0.036 0.000 2.409 324 E HA 0.709 5.068 4.350 0.014 0.000 0.280 324 E C -1.455 175.165 176.600 0.033 0.000 1.079 324 E CA -1.106 55.306 56.400 0.021 0.000 0.840 324 E CB 1.500 31.174 29.700 -0.043 0.000 1.309 324 E HN -0.045 nan 8.360 nan 0.000 0.447 325 A N 0.954 123.818 122.820 0.074 0.000 2.454 325 A HA 0.750 5.078 4.320 0.014 0.000 0.302 325 A C -0.964 176.708 177.584 0.145 0.000 1.079 325 A CA -0.699 51.380 52.037 0.069 0.000 0.731 325 A CB 1.700 20.737 19.000 0.063 0.000 1.299 325 A HN 0.519 nan 8.150 nan 0.000 0.413 326 E N -0.658 119.562 120.200 0.032 0.000 2.393 326 E HA 0.838 5.197 4.350 0.014 0.000 0.265 326 E C -0.606 176.026 176.600 0.053 0.000 0.941 326 E CA -0.532 55.959 56.400 0.152 0.000 0.801 326 E CB 2.382 32.095 29.700 0.023 0.000 1.313 326 E HN 1.242 nan 8.360 nan 0.000 0.435 327 A N -0.160 122.822 122.820 0.271 0.000 2.586 327 A HA 0.687 5.016 4.320 0.014 0.000 0.291 327 A C -1.193 176.592 177.584 0.336 0.000 1.062 327 A CA -0.392 51.712 52.037 0.111 0.000 0.666 327 A CB 0.666 19.608 19.000 -0.097 0.000 1.281 327 A HN 0.854 nan 8.150 nan 0.000 0.421 328 C N -0.516 118.930 119.300 0.244 0.000 3.288 328 C HA 0.824 5.293 4.460 0.014 0.000 0.318 328 C C -1.300 173.788 174.990 0.163 0.000 1.356 328 C CA -0.918 58.249 59.018 0.248 0.000 1.359 328 C CB 1.118 29.027 27.740 0.283 0.000 1.688 328 C HN 0.821 nan 8.230 nan 0.000 0.467 329 D N 0.983 121.466 120.400 0.139 0.000 2.302 329 D HA 0.554 5.203 4.640 0.014 0.000 0.248 329 D C -0.364 175.997 176.300 0.102 0.000 1.094 329 D CA 0.170 54.252 54.000 0.137 0.000 0.897 329 D CB 1.805 42.689 40.800 0.141 0.000 1.200 329 D HN 0.550 nan 8.370 nan 0.000 0.429 330 V N 1.136 121.135 119.914 0.141 0.000 2.540 330 V HA 0.657 4.786 4.120 0.014 0.000 0.302 330 V C 0.544 176.709 176.094 0.118 0.000 1.035 330 V CA -0.847 61.481 62.300 0.047 0.000 0.873 330 V CB 2.066 33.893 31.823 0.006 0.000 0.992 330 V HN 0.603 nan 8.190 nan 0.000 0.428 331 G N 3.119 111.890 108.800 -0.049 0.000 2.422 331 G HA2 0.609 4.577 3.960 0.014 0.000 0.317 331 G HA3 0.609 4.577 3.960 0.014 0.000 0.317 331 G C -1.012 173.954 174.900 0.110 0.000 1.210 331 G CA -0.376 44.779 45.100 0.091 0.000 0.930 331 G HN 0.422 nan 8.290 nan 0.000 0.468 332 F N 3.982 124.126 119.950 0.323 0.000 2.438 332 F HA 0.453 4.988 4.527 0.013 0.000 0.360 332 F C 1.124 177.158 175.800 0.391 0.000 1.118 332 F CA -0.133 58.112 58.000 0.409 0.000 1.164 332 F CB 0.770 40.040 39.000 0.450 0.000 1.131 332 F HN 0.444 nan 8.300 nan 0.000 0.527 333 R N 2.995 123.773 120.500 0.463 0.000 2.663 333 R HA 0.440 4.788 4.340 0.014 0.000 0.267 333 R C -1.813 174.661 176.300 0.289 0.000 1.038 333 R CA -0.819 55.411 56.100 0.216 0.000 0.886 333 R CB 1.656 32.107 30.300 0.252 0.000 1.249 333 R HN 0.605 nan 8.270 nan 0.000 0.463 334 E N 1.963 122.249 120.200 0.143 0.000 2.199 334 E HA 0.484 4.843 4.350 0.014 0.000 0.269 334 E C -1.247 175.438 176.600 0.141 0.000 0.899 334 E CA -0.939 55.622 56.400 0.269 0.000 0.772 334 E CB 2.184 32.122 29.700 0.396 0.000 1.155 334 E HN 0.398 nan 8.360 nan 0.000 0.408 335 V N 5.391 125.378 119.914 0.122 0.000 2.448 335 V HA 0.583 4.712 4.120 0.014 0.000 0.295 335 V C -0.204 175.935 176.094 0.075 0.000 1.025 335 V CA -0.650 61.690 62.300 0.066 0.000 0.859 335 V CB 1.217 33.054 31.823 0.023 0.000 0.988 335 V HN 0.749 nan 8.190 nan 0.000 0.431 336 R N 4.148 124.689 120.500 0.069 0.000 2.710 336 R HA 0.738 5.086 4.340 0.014 0.000 0.270 336 R C -2.056 174.275 176.300 0.052 0.000 1.021 336 R CA -0.953 55.188 56.100 0.069 0.000 0.889 336 R CB 1.974 32.328 30.300 0.091 0.000 1.243 336 R HN 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.119 121.719 120.570 0.050 0.000 2.354 337 I HA 0.366 4.545 4.170 0.014 0.000 0.292 337 I C -0.620 175.523 176.117 0.043 0.000 0.989 337 I CA -0.430 60.894 61.300 0.040 0.000 1.188 337 I CB 1.877 39.901 38.000 0.040 0.000 1.342 337 I HN 0.702 nan 8.210 nan 0.000 0.457 338 E N 5.652 125.875 120.200 0.037 0.000 2.290 338 E HA 0.272 4.631 4.350 0.014 0.000 0.274 338 E C -0.267 176.351 176.600 0.029 0.000 0.889 338 E CA -0.547 55.876 56.400 0.038 0.000 0.760 338 E CB 1.091 30.819 29.700 0.047 0.000 1.206 338 E HN 0.529 nan 8.360 nan 0.000 0.419 339 N N 2.961 121.678 118.700 0.027 0.000 2.725 339 N HA -0.235 4.514 4.740 0.014 0.000 0.249 339 N C 0.453 175.972 175.510 0.016 0.000 1.103 339 N CA 2.144 55.206 53.050 0.021 0.000 0.707 339 N CB -1.150 37.348 38.487 0.019 0.000 1.043 339 N HN 0.984 nan 8.380 nan 0.000 0.553 340 G N -2.416 106.395 108.800 0.017 0.000 2.175 340 G HA2 -0.272 3.697 3.960 0.014 0.000 0.244 340 G HA3 -0.272 3.697 3.960 0.014 0.000 0.244 340 G C -0.122 174.778 174.900 0.000 0.000 0.982 340 G CA 0.410 45.517 45.100 0.011 0.000 0.641 340 G HN 0.441 nan 8.290 nan 0.000 0.527 341 L N 0.241 121.465 121.223 0.001 0.000 2.365 341 L HA 0.707 5.055 4.340 0.014 0.000 0.273 341 L C 0.082 176.948 176.870 -0.007 0.000 1.000 341 L CA -1.328 53.505 54.840 -0.011 0.000 0.819 341 L CB 1.907 43.959 42.059 -0.011 0.000 1.284 341 L HN 0.099 nan 8.230 nan 0.000 0.418 342 L N 4.545 125.753 121.223 -0.026 0.000 2.315 342 L HA 0.417 4.765 4.340 0.014 0.000 0.283 342 L C -0.830 176.024 176.870 -0.027 0.000 1.089 342 L CA 0.446 55.272 54.840 -0.024 0.000 0.833 342 L CB 0.190 42.220 42.059 -0.047 0.000 1.170 342 L HN 0.385 nan 8.230 nan 0.000 0.442 343 L N 5.978 127.201 121.223 0.002 0.000 2.334 343 L HA 0.544 4.892 4.340 0.014 0.000 0.276 343 L C -0.748 176.136 176.870 0.024 0.000 1.014 343 L CA -0.802 54.049 54.840 0.018 0.000 0.815 343 L CB 1.885 43.976 42.059 0.053 0.000 1.268 343 L HN 0.552 nan 8.230 nan 0.000 0.428 344 L N 3.855 125.104 121.223 0.043 0.000 2.343 344 L HA 0.480 4.828 4.340 0.014 0.000 0.278 344 L C -0.280 176.612 176.870 0.036 0.000 0.996 344 L CA -0.103 54.767 54.840 0.049 0.000 0.831 344 L CB 0.867 42.961 42.059 0.059 0.000 1.232 344 L HN 0.614 nan 8.230 nan 0.000 0.413 345 N N 4.154 122.744 118.700 -0.182 0.000 2.727 345 N HA -0.220 4.528 4.740 0.014 0.000 0.249 345 N C 0.922 176.136 175.510 -0.494 0.000 1.048 345 N CA 1.282 53.899 53.050 -0.722 0.000 0.714 345 N CB -1.295 36.645 38.487 -0.912 0.000 0.959 345 N HN 1.173 nan 8.380 nan 0.000 0.544 346 G N -2.070 106.704 108.800 -0.042 0.000 2.184 346 G HA2 -0.360 3.608 3.960 0.014 0.000 0.264 346 G HA3 -0.360 3.608 3.960 0.014 0.000 0.264 346 G C -0.002 174.943 174.900 0.075 0.000 0.975 346 G CA 0.963 46.139 45.100 0.128 0.000 0.642 346 G HN 0.417 nan 8.290 nan 0.000 0.536 347 K N 0.785 121.223 120.400 0.064 0.000 2.203 347 K HA 0.564 4.892 4.320 0.014 0.000 0.251 347 K C -2.753 173.836 176.600 -0.019 0.000 0.944 347 K CA -2.274 54.010 56.287 -0.006 0.000 0.829 347 K CB 2.401 34.824 32.500 -0.128 0.000 1.125 347 K HN 0.057 nan 8.250 nan 0.000 0.430 348 P HA 0.253 nan 4.420 nan 0.000 0.287 348 P C -0.096 177.155 177.300 -0.081 0.000 1.281 348 P CA -0.333 62.733 63.100 -0.056 0.000 0.781 348 P CB 0.647 32.314 31.700 -0.055 0.000 0.903 349 L N 3.264 124.434 121.223 -0.087 0.000 2.453 349 L HA 0.291 4.639 4.340 0.014 0.000 0.261 349 L C 0.626 177.430 176.870 -0.111 0.000 1.179 349 L CA -0.582 54.198 54.840 -0.100 0.000 0.813 349 L CB 0.328 42.284 42.059 -0.171 0.000 1.110 349 L HN 0.269 nan 8.230 nan 0.000 0.466 350 L N 3.645 124.820 121.223 -0.080 0.000 2.388 350 L HA 0.406 4.754 4.340 0.014 0.000 0.267 350 L C -0.528 176.309 176.870 -0.056 0.000 0.995 350 L CA -0.192 54.584 54.840 -0.108 0.000 0.864 350 L CB 0.832 42.855 42.059 -0.061 0.000 1.216 350 L HN 0.248 nan 8.230 nan 0.000 0.430 351 I N 4.772 125.242 120.570 -0.167 0.000 2.421 351 I HA 0.175 4.353 4.170 0.014 0.000 0.291 351 I C 0.644 176.733 176.117 -0.047 0.000 1.089 351 I CA 0.258 61.471 61.300 -0.146 0.000 1.354 351 I CB 0.371 38.156 38.000 -0.359 0.000 1.413 351 I HN 0.565 nan 8.210 nan 0.000 0.513 352 R N 4.747 125.305 120.500 0.096 0.000 3.570 352 R HA 0.398 4.746 4.340 0.014 0.000 0.233 352 R C 0.582 177.019 176.300 0.227 0.000 1.492 352 R CA -0.255 55.936 56.100 0.151 0.000 1.504 352 R CB 0.601 30.807 30.300 -0.158 0.000 1.314 352 R HN 0.759 nan 8.270 nan 0.000 0.687 353 G N 0.038 108.936 108.800 0.164 0.000 2.509 353 G HA2 0.553 4.521 3.960 0.014 0.000 0.328 353 G HA3 0.553 4.521 3.960 0.014 0.000 0.328 353 G C -1.266 173.949 174.900 0.525 0.000 1.194 353 G CA -0.422 44.754 45.100 0.126 0.000 0.967 353 G HN 0.220 nan 8.290 nan 0.000 0.488 354 V N 0.255 120.449 119.914 0.466 0.000 2.888 354 V HA 0.457 4.586 4.120 0.014 0.000 0.309 354 V C -1.003 175.244 176.094 0.256 0.000 1.114 354 V CA -1.232 61.226 62.300 0.265 0.000 0.940 354 V CB 2.175 33.858 31.823 -0.234 0.000 1.021 354 V HN 0.764 nan 8.190 nan 0.000 0.426 355 N N 4.412 123.189 118.700 0.129 0.000 2.514 355 N HA 0.402 5.150 4.740 0.014 0.000 0.277 355 N C -0.694 174.658 175.510 -0.263 0.000 1.126 355 N CA -0.241 52.752 53.050 -0.095 0.000 0.978 355 N CB 1.390 39.782 38.487 -0.159 0.000 1.106 355 N HN 0.608 nan 8.380 nan 0.000 0.461 356 R N 2.166 122.477 120.500 -0.315 0.000 2.502 356 R HA 0.203 4.551 4.340 0.014 0.000 0.298 356 R C -0.813 175.261 176.300 -0.377 0.000 1.018 356 R CA -0.559 55.373 56.100 -0.279 0.000 0.899 356 R CB 0.773 30.889 30.300 -0.307 0.000 1.181 356 R HN 0.589 nan 8.270 nan 0.000 0.444 357 H N 2.156 121.102 119.070 -0.206 0.000 2.607 357 H HA 0.089 4.654 4.556 0.015 0.000 0.367 357 H C -0.445 174.900 175.328 0.028 0.000 1.181 357 H CA 0.278 56.300 56.048 -0.043 0.000 1.402 357 H CB 1.289 31.088 29.762 0.062 0.000 1.474 357 H HN 0.552 nan 8.280 nan 0.000 0.596 358 E N 1.847 122.248 120.200 0.335 0.000 1.963 358 E HA 0.107 4.466 4.350 0.014 0.000 0.274 358 E C -0.731 176.023 176.600 0.256 0.000 1.061 358 E CA -0.058 56.460 56.400 0.196 0.000 0.847 358 E CB 0.264 30.098 29.700 0.223 0.000 1.083 358 E HN 0.387 nan 8.360 nan 0.000 0.402 359 H N 1.590 120.730 119.070 0.118 0.000 2.865 359 H HA 0.291 4.856 4.556 0.014 0.000 0.362 359 H C -1.675 173.719 175.328 0.110 0.000 1.114 359 H CA -0.668 55.446 56.048 0.111 0.000 1.208 359 H CB 1.155 30.974 29.762 0.094 0.000 1.727 359 H HN 0.381 nan 8.280 nan 0.000 0.534 360 H N 5.874 124.514 119.070 -0.715 0.000 2.759 360 H HA 0.217 4.781 4.556 0.014 0.000 0.354 360 H C -2.385 172.570 175.328 -0.622 0.000 1.074 360 H CA -2.337 53.447 56.048 -0.441 0.000 1.226 360 H CB 2.784 32.434 29.762 -0.187 0.000 1.648 360 H HN 0.537 nan 8.280 nan 0.000 0.529 361 P HA -0.050 nan 4.420 nan 0.000 0.223 361 P C 1.101 178.329 177.300 -0.120 0.000 1.151 361 P CA 0.728 63.716 63.100 -0.186 0.000 0.787 361 P CB 0.810 32.427 31.700 -0.139 0.000 0.788 362 L N -1.961 119.286 121.223 0.041 0.000 2.388 362 L HA 0.140 4.489 4.340 0.014 0.000 0.209 362 L C 2.104 178.779 176.870 -0.325 0.000 1.061 362 L CA 0.622 55.343 54.840 -0.198 0.000 0.834 362 L CB -0.755 41.054 42.059 -0.416 0.000 1.029 362 L HN 0.001 nan 8.230 nan 0.000 0.473 363 H N -0.329 118.674 119.070 -0.111 0.000 2.551 363 H HA 0.291 4.856 4.556 0.014 0.000 0.271 363 H C 1.421 176.630 175.328 -0.199 0.000 0.984 363 H CA 0.231 56.131 56.048 -0.245 0.000 1.164 363 H CB 0.567 30.064 29.762 -0.442 0.000 1.437 363 H HN 0.381 nan 8.280 nan 0.000 0.550 364 G N 1.408 110.113 108.800 -0.158 0.000 2.559 364 G HA2 -0.370 3.599 3.960 0.014 0.000 0.282 364 G HA3 -0.370 3.599 3.960 0.014 0.000 0.282 364 G C 0.567 175.380 174.900 -0.146 0.000 1.177 364 G CA 0.268 45.235 45.100 -0.221 0.000 0.960 364 G HN 0.443 nan 8.290 nan 0.000 0.540 365 Q N -0.039 119.706 119.800 -0.091 0.000 2.188 365 Q HA 0.486 4.834 4.340 0.014 0.000 0.212 365 Q C 0.200 176.301 176.000 0.167 0.000 0.846 365 Q CA -0.153 55.648 55.803 -0.003 0.000 0.989 365 Q CB 1.436 30.069 28.738 -0.174 0.000 1.114 365 Q HN 0.372 nan 8.270 nan 0.000 0.488 366 V N 2.050 122.031 119.914 0.112 0.000 2.488 366 V HA 0.189 4.318 4.120 0.014 0.000 0.277 366 V C 0.172 176.309 176.094 0.073 0.000 1.046 366 V CA 0.134 62.505 62.300 0.120 0.000 0.986 366 V CB 0.936 32.764 31.823 0.009 0.000 0.989 366 V HN 0.337 nan 8.190 nan 0.000 0.475 367 M N 4.657 124.301 119.600 0.074 0.000 2.472 367 M HA 0.508 4.996 4.480 0.014 0.000 0.331 367 M C -0.548 175.685 176.300 -0.112 0.000 1.170 367 M CA -0.643 54.652 55.300 -0.009 0.000 1.009 367 M CB 1.681 34.243 32.600 -0.062 0.000 1.672 367 M HN 0.934 nan 8.290 nan 0.000 0.453 368 D N -1.343 119.009 120.400 -0.080 0.000 2.547 368 D HA 0.261 4.909 4.640 0.014 0.000 0.231 368 D C 0.382 176.655 176.300 -0.045 0.000 1.099 368 D CA -0.690 53.262 54.000 -0.080 0.000 0.901 368 D CB 1.428 42.212 40.800 -0.028 0.000 1.478 368 D HN 0.684 nan 8.370 nan 0.000 0.471 369 E N -0.070 120.114 120.200 -0.026 0.000 2.097 369 E HA -0.345 4.013 4.350 0.014 0.000 0.196 369 E C 1.605 178.248 176.600 0.071 0.000 1.000 369 E CA 1.369 57.787 56.400 0.030 0.000 0.804 369 E CB 0.109 29.841 29.700 0.054 0.000 0.740 369 E HN 0.601 nan 8.360 nan 0.000 0.454 370 Q N -0.372 119.471 119.800 0.072 0.000 2.084 370 Q HA -0.149 4.199 4.340 0.014 0.000 0.202 370 Q C 2.032 178.093 176.000 0.102 0.000 0.978 370 Q CA 2.011 57.867 55.803 0.088 0.000 0.844 370 Q CB -0.018 28.773 28.738 0.088 0.000 0.898 370 Q HN 0.323 nan 8.270 nan 0.000 0.426 371 T N 0.844 115.467 114.554 0.115 0.000 2.821 371 T HA -0.097 4.261 4.350 0.014 0.000 0.267 371 T C 1.861 176.640 174.700 0.130 0.000 1.046 371 T CA 1.270 63.450 62.100 0.133 0.000 1.139 371 T CB -0.104 68.872 68.868 0.180 0.000 0.871 371 T HN 0.283 nan 8.240 nan 0.000 0.454 372 M N 0.495 120.177 119.600 0.137 0.000 2.117 372 M HA -0.077 4.411 4.480 0.014 0.000 0.262 372 M C 2.447 178.879 176.300 0.221 0.000 1.065 372 M CA 1.250 56.706 55.300 0.260 0.000 1.114 372 M CB -0.532 32.264 32.600 0.327 0.000 1.361 372 M HN 0.092 nan 8.290 nan 0.000 0.408 373 V N 0.306 120.288 119.914 0.114 0.000 2.343 373 V HA -0.299 3.830 4.120 0.014 0.000 0.247 373 V C 2.327 178.410 176.094 -0.018 0.000 1.051 373 V CA 2.036 64.338 62.300 0.004 0.000 1.036 373 V CB -0.851 31.010 31.823 0.064 0.000 0.654 373 V HN 0.563 nan 8.190 nan 0.000 0.451 374 Q N -0.307 119.529 119.800 0.059 0.000 2.096 374 Q HA -0.276 4.073 4.340 0.014 0.000 0.204 374 Q C 1.957 178.022 176.000 0.109 0.000 0.982 374 Q CA 2.194 58.045 55.803 0.080 0.000 0.850 374 Q CB -0.125 28.676 28.738 0.105 0.000 0.901 374 Q HN 0.613 nan 8.270 nan 0.000 0.422 375 D N 0.247 120.727 120.400 0.135 0.000 2.097 375 D HA -0.121 4.527 4.640 0.014 0.000 0.197 375 D C 1.931 178.184 176.300 -0.079 0.000 0.984 375 D CA 1.075 55.152 54.000 0.130 0.000 0.826 375 D CB -0.182 40.672 40.800 0.091 0.000 0.973 375 D HN 0.338 nan 8.370 nan 0.000 0.460 376 I N 0.270 120.793 120.570 -0.079 0.000 2.208 376 I HA -0.263 3.916 4.170 0.014 0.000 0.245 376 I C 2.152 178.127 176.117 -0.237 0.000 1.097 376 I CA 0.510 61.656 61.300 -0.257 0.000 1.363 376 I CB -0.055 37.664 38.000 -0.468 0.000 1.051 376 I HN -0.005 nan 8.210 nan 0.000 0.413 377 L N 0.082 121.196 121.223 -0.183 0.000 2.042 377 L HA -0.210 4.138 4.340 0.014 0.000 0.210 377 L C 2.342 179.264 176.870 0.087 0.000 1.076 377 L CA 1.846 56.662 54.840 -0.040 0.000 0.749 377 L CB -0.715 41.339 42.059 -0.007 0.000 0.893 377 L HN 0.186 nan 8.230 nan 0.000 0.432 378 L N -1.982 119.318 121.223 0.128 0.000 2.093 378 L HA -0.230 4.118 4.340 0.014 0.000 0.208 378 L C 2.476 179.502 176.870 0.260 0.000 1.085 378 L CA 1.082 56.084 54.840 0.269 0.000 0.755 378 L CB -0.328 42.017 42.059 0.477 0.000 0.904 378 L HN 0.292 nan 8.230 nan 0.000 0.435 379 M N -0.580 118.986 119.600 -0.057 0.000 2.067 379 M HA -0.236 4.252 4.480 0.014 0.000 0.260 379 M C 2.277 178.665 176.300 0.146 0.000 1.069 379 M CA 1.886 57.095 55.300 -0.152 0.000 1.117 379 M CB -0.301 31.975 32.600 -0.540 0.000 1.334 379 M HN 0.048 nan 8.290 nan 0.000 0.407 380 K N -0.072 120.318 120.400 -0.017 0.000 2.097 380 K HA -0.174 4.154 4.320 0.014 0.000 0.206 380 K C 1.984 178.602 176.600 0.029 0.000 1.049 380 K CA 1.303 57.492 56.287 -0.164 0.000 0.933 380 K CB -0.200 32.003 32.500 -0.494 0.000 0.717 380 K HN 0.429 nan 8.250 nan 0.000 0.442 381 Q N 0.350 120.308 119.800 0.263 0.000 2.291 381 Q HA -0.053 4.295 4.340 0.014 0.000 0.206 381 Q C 0.746 177.043 176.000 0.495 0.000 0.976 381 Q CA 0.778 56.827 55.803 0.411 0.000 0.875 381 Q CB 0.132 29.078 28.738 0.346 0.000 0.927 381 Q HN 0.263 nan 8.270 nan 0.000 0.450 382 N N 0.566 119.517 118.700 0.419 0.000 2.321 382 N HA 0.056 4.804 4.740 0.014 0.000 0.242 382 N C -0.652 174.970 175.510 0.187 0.000 1.141 382 N CA 0.032 53.322 53.050 0.400 0.000 0.864 382 N CB 0.711 39.518 38.487 0.534 0.000 1.100 382 N HN 0.155 nan 8.380 nan 0.000 0.510 383 N N 0.099 118.915 118.700 0.194 0.000 2.782 383 N HA -0.183 4.566 4.740 0.014 0.000 0.251 383 N C -0.861 174.567 175.510 -0.137 0.000 1.101 383 N CA 0.759 53.876 53.050 0.112 0.000 0.764 383 N CB -1.736 36.730 38.487 -0.035 0.000 1.122 383 N HN 0.252 nan 8.380 nan 0.000 0.561 384 F N 1.090 121.071 119.950 0.052 0.000 2.375 384 F HA 0.307 4.842 4.527 0.014 0.000 0.333 384 F C 1.766 177.568 175.800 0.002 0.000 1.104 384 F CA -0.532 57.479 58.000 0.017 0.000 1.149 384 F CB 0.794 39.780 39.000 -0.023 0.000 1.190 384 F HN 0.048 nan 8.300 nan 0.000 0.533 385 N N 0.616 119.436 118.700 0.201 0.000 2.160 385 N HA 0.453 5.202 4.740 0.014 0.000 0.226 385 N C -0.877 174.688 175.510 0.092 0.000 1.256 385 N CA -0.035 53.061 53.050 0.078 0.000 0.890 385 N CB 0.778 39.354 38.487 0.149 0.000 1.116 385 N HN 0.486 nan 8.380 nan 0.000 0.517 386 A N -0.571 122.376 122.820 0.212 0.000 2.604 386 A HA 0.746 5.074 4.320 0.014 0.000 0.295 386 A C -1.814 175.997 177.584 0.378 0.000 1.067 386 A CA -0.692 51.536 52.037 0.318 0.000 0.683 386 A CB 1.747 20.942 19.000 0.325 0.000 1.281 386 A HN 0.249 nan 8.150 nan 0.000 0.407 387 V N 1.182 121.377 119.914 0.470 0.000 2.888 387 V HA 0.806 4.935 4.120 0.014 0.000 0.309 387 V C -0.687 175.576 176.094 0.282 0.000 1.114 387 V CA -0.685 61.847 62.300 0.386 0.000 0.940 387 V CB 1.915 33.890 31.823 0.255 0.000 1.021 387 V HN 1.143 nan 8.190 nan 0.000 0.426 388 R N 4.805 125.312 120.500 0.011 0.000 2.393 388 R HA 0.500 4.848 4.340 0.014 0.000 0.310 388 R C -0.738 175.431 176.300 -0.218 0.000 0.968 388 R CA -0.454 55.462 56.100 -0.307 0.000 0.867 388 R CB 1.173 31.073 30.300 -0.667 0.000 1.124 388 R HN 0.809 nan 8.270 nan 0.000 0.450 389 C N 4.445 123.639 119.300 -0.177 0.000 3.183 389 C HA 0.123 4.591 4.460 0.014 0.000 0.545 389 C C 0.485 175.194 174.990 -0.469 0.000 1.044 389 C CA -0.429 58.435 59.018 -0.257 0.000 1.117 389 C CB -2.060 25.642 27.740 -0.064 0.000 1.393 389 C HN 0.727 nan 8.230 nan 0.000 0.611 390 S N 1.419 116.717 115.700 -0.669 0.000 2.465 390 S HA 0.191 4.669 4.470 0.014 0.000 0.280 390 S C -0.146 173.553 174.600 -1.502 0.000 1.232 390 S CA 0.121 57.662 58.200 -1.098 0.000 1.066 390 S CB 0.148 62.648 63.200 -1.167 0.000 0.929 390 S HN 0.724 nan 8.310 nan 0.000 0.494 391 H N 3.772 122.253 119.070 -0.982 0.000 2.439 391 H HA 0.322 4.886 4.556 0.014 0.000 0.228 391 H C -1.216 173.992 175.328 -0.200 0.000 1.423 391 H CA -0.352 55.500 56.048 -0.327 0.000 1.386 391 H CB -0.114 29.652 29.762 0.007 0.000 1.641 391 H HN 0.888 nan 8.280 nan 0.000 0.508 392 Y N -2.729 117.672 120.300 0.169 0.000 2.687 392 Y HA 0.379 4.938 4.550 0.015 0.000 0.338 392 Y C -3.337 172.669 175.900 0.177 0.000 1.189 392 Y CA -3.104 55.105 58.100 0.182 0.000 1.097 392 Y CB 0.036 38.609 38.460 0.189 0.000 1.342 392 Y HN -0.065 nan 8.280 nan 0.000 0.461 393 P HA 0.127 nan 4.420 nan 0.000 0.266 393 P C -0.549 177.037 177.300 0.476 0.000 1.195 393 P CA 0.225 63.571 63.100 0.410 0.000 0.768 393 P CB 0.581 32.458 31.700 0.296 0.000 0.838 394 N N 0.602 119.593 118.700 0.484 0.000 2.447 394 N HA 0.083 4.832 4.740 0.014 0.000 0.271 394 N C 0.149 175.890 175.510 0.386 0.000 1.226 394 N CA -0.582 52.670 53.050 0.337 0.000 0.980 394 N CB 0.339 38.826 38.487 -0.000 0.000 1.206 394 N HN 0.603 nan 8.380 nan 0.000 0.558 395 H N 2.182 121.358 119.070 0.176 0.000 3.038 395 H HA -0.009 4.555 4.556 0.014 0.000 0.338 395 H C -1.608 173.884 175.328 0.273 0.000 1.041 395 H CA -0.701 55.436 56.048 0.149 0.000 1.394 395 H CB 0.985 30.800 29.762 0.089 0.000 1.357 395 H HN 0.434 nan 8.280 nan 0.000 0.600 396 P HA -0.205 nan 4.420 nan 0.000 0.217 396 P C 1.831 179.433 177.300 0.503 0.000 1.148 396 P CA 0.703 64.028 63.100 0.375 0.000 0.828 396 P CB 0.235 32.016 31.700 0.136 0.000 0.783 397 L N -0.898 120.710 121.223 0.642 0.000 2.191 397 L HA -0.060 4.289 4.340 0.014 0.000 0.212 397 L C 2.412 179.466 176.870 0.307 0.000 1.103 397 L CA 1.423 56.515 54.840 0.419 0.000 0.769 397 L CB -1.469 40.778 42.059 0.313 0.000 0.908 397 L HN 0.031 nan 8.230 nan 0.000 0.438 398 W N -0.646 120.694 121.300 0.068 0.000 2.338 398 W HA -0.320 4.348 4.660 0.013 0.000 0.304 398 W C 2.013 178.384 176.519 -0.247 0.000 1.212 398 W CA 1.735 58.984 57.345 -0.159 0.000 1.264 398 W CB -0.295 28.967 29.460 -0.329 0.000 1.142 398 W HN 0.264 nan 8.180 nan 0.000 0.512 399 Y N 0.695 120.929 120.300 -0.109 0.000 2.242 399 Y HA -0.186 4.372 4.550 0.014 0.000 0.291 399 Y C 2.838 178.506 175.900 -0.386 0.000 1.137 399 Y CA 2.098 59.914 58.100 -0.473 0.000 1.181 399 Y CB -1.166 36.653 38.460 -1.068 0.000 0.989 399 Y HN -0.231 nan 8.280 nan 0.000 0.527 400 T N 0.654 115.217 114.554 0.016 0.000 2.746 400 T HA -0.153 4.206 4.350 0.014 0.000 0.267 400 T C 1.987 176.722 174.700 0.059 0.000 1.039 400 T CA 1.339 63.526 62.100 0.145 0.000 1.142 400 T CB -0.507 68.491 68.868 0.216 0.000 0.866 400 T HN 0.241 nan 8.240 nan 0.000 0.444 401 L N 0.318 121.532 121.223 -0.016 0.000 2.056 401 L HA -0.085 4.263 4.340 0.014 0.000 0.207 401 L C 2.857 179.691 176.870 -0.061 0.000 1.078 401 L CA 0.888 55.735 54.840 0.011 0.000 0.749 401 L CB -0.736 41.304 42.059 -0.031 0.000 0.901 401 L HN 0.362 nan 8.230 nan 0.000 0.433 402 C N -0.189 118.905 119.300 -0.344 0.000 2.435 402 C HA -0.136 4.332 4.460 0.014 0.000 0.279 402 C C 2.404 177.433 174.990 0.065 0.000 1.321 402 C CA 0.401 59.257 59.018 -0.269 0.000 1.752 402 C CB -0.790 26.685 27.740 -0.442 0.000 1.959 402 C HN 0.534 nan 8.230 nan 0.000 0.500 403 D N 0.447 120.901 120.400 0.089 0.000 2.117 403 D HA -0.096 4.553 4.640 0.014 0.000 0.197 403 D C 2.414 178.931 176.300 0.363 0.000 0.987 403 D CA 1.210 55.354 54.000 0.240 0.000 0.829 403 D CB -0.302 40.594 40.800 0.160 0.000 0.961 403 D HN 0.524 nan 8.370 nan 0.000 0.460 404 R N -1.091 119.509 120.500 0.166 0.000 2.112 404 R HA 0.020 4.368 4.340 0.014 0.000 0.216 404 R C 2.029 178.303 176.300 -0.044 0.000 1.080 404 R CA 0.493 56.624 56.100 0.052 0.000 0.996 404 R CB -0.117 30.142 30.300 -0.068 0.000 0.902 404 R HN 0.242 nan 8.270 nan 0.000 0.449 405 Y N -0.011 120.291 120.300 0.004 0.000 2.475 405 Y HA 0.184 4.742 4.550 0.014 0.000 0.289 405 Y C 0.972 176.788 175.900 -0.140 0.000 1.121 405 Y CA 0.900 58.974 58.100 -0.044 0.000 1.257 405 Y CB 0.578 38.988 38.460 -0.084 0.000 1.026 405 Y HN 0.233 nan 8.280 nan 0.000 0.555 406 G N 1.101 109.917 108.800 0.026 0.000 2.830 406 G HA2 -0.151 3.818 3.960 0.014 0.000 0.298 406 G HA3 -0.151 3.818 3.960 0.014 0.000 0.298 406 G C -1.139 173.599 174.900 -0.270 0.000 1.031 406 G CA -0.481 44.498 45.100 -0.202 0.000 1.179 406 G HN 0.173 nan 8.290 nan 0.000 0.527 407 L N 1.326 122.470 121.223 -0.131 0.000 2.455 407 L HA 0.514 4.862 4.340 0.014 0.000 0.264 407 L C -0.313 176.581 176.870 0.040 0.000 0.968 407 L CA -1.430 53.307 54.840 -0.172 0.000 0.827 407 L CB 1.810 43.786 42.059 -0.139 0.000 1.317 407 L HN 0.350 nan 8.230 nan 0.000 0.407 408 Y N 1.889 122.332 120.300 0.238 0.000 2.377 408 Y HA 0.358 4.918 4.550 0.017 0.000 0.330 408 Y C 0.281 176.317 175.900 0.227 0.000 1.108 408 Y CA -0.514 57.756 58.100 0.283 0.000 1.308 408 Y CB 0.910 39.516 38.460 0.244 0.000 1.216 408 Y HN 0.110 nan 8.280 nan 0.000 0.518 409 V N 4.167 124.276 119.914 0.324 0.000 2.555 409 V HA 0.394 4.523 4.120 0.014 0.000 0.302 409 V C -0.557 175.625 176.094 0.147 0.000 1.038 409 V CA -1.092 61.339 62.300 0.218 0.000 0.887 409 V CB 1.996 33.911 31.823 0.154 0.000 0.991 409 V HN 0.461 nan 8.190 nan 0.000 0.434 410 V N 3.414 123.382 119.914 0.090 0.000 2.333 410 V HA 0.331 4.460 4.120 0.014 0.000 0.274 410 V C -0.290 175.843 176.094 0.063 0.000 1.028 410 V CA -0.312 61.989 62.300 0.002 0.000 0.851 410 V CB 1.460 33.172 31.823 -0.185 0.000 1.000 410 V HN 0.894 nan 8.190 nan 0.000 0.456 411 D N 4.151 124.629 120.400 0.129 0.000 2.198 411 D HA 0.382 5.030 4.640 0.014 0.000 0.245 411 D C -0.330 176.158 176.300 0.314 0.000 1.079 411 D CA -0.184 53.985 54.000 0.283 0.000 0.854 411 D CB 1.500 42.510 40.800 0.351 0.000 1.148 411 D HN 0.697 nan 8.370 nan 0.000 0.456 412 E N 1.854 122.207 120.200 0.255 0.000 2.234 412 E HA 0.632 4.990 4.350 0.014 0.000 0.266 412 E C -1.164 175.571 176.600 0.225 0.000 0.877 412 E CA -1.049 55.485 56.400 0.223 0.000 0.758 412 E CB 1.415 31.197 29.700 0.137 0.000 1.170 412 E HN 0.447 nan 8.360 nan 0.000 0.415 413 A N 3.699 126.644 122.820 0.209 0.000 2.445 413 A HA 0.095 4.424 4.320 0.014 0.000 0.242 413 A C 0.321 178.028 177.584 0.205 0.000 1.075 413 A CA -0.249 51.892 52.037 0.173 0.000 0.777 413 A CB 0.165 19.231 19.000 0.110 0.000 1.013 413 A HN 0.700 nan 8.150 nan 0.000 0.493 414 N N 1.128 119.958 118.700 0.216 0.000 3.103 414 N HA 0.241 4.990 4.740 0.014 0.000 0.305 414 N C -1.051 174.589 175.510 0.217 0.000 1.232 414 N CA 0.238 53.449 53.050 0.268 0.000 1.190 414 N CB -0.865 37.785 38.487 0.271 0.000 1.461 414 N HN 0.476 nan 8.380 nan 0.000 0.538 415 I N 0.926 121.618 120.570 0.203 0.000 2.497 415 I HA 0.269 4.448 4.170 0.014 0.000 0.284 415 I C -0.560 175.660 176.117 0.172 0.000 1.060 415 I CA -0.618 60.784 61.300 0.171 0.000 1.071 415 I CB 1.674 39.749 38.000 0.125 0.000 1.216 415 I HN 0.233 nan 8.210 nan 0.000 0.442 416 E N 4.311 124.608 120.200 0.162 0.000 2.278 416 E HA 0.406 4.765 4.350 0.014 0.000 0.272 416 E C -0.618 176.045 176.600 0.105 0.000 0.890 416 E CA -0.530 55.936 56.400 0.111 0.000 0.770 416 E CB 1.667 31.415 29.700 0.081 0.000 1.212 416 E HN 0.564 nan 8.360 nan 0.000 0.415 417 T N 0.667 115.273 114.554 0.087 0.000 3.374 417 T HA 0.180 4.538 4.350 0.014 0.000 0.267 417 T C 0.768 175.510 174.700 0.070 0.000 0.996 417 T CA -0.361 61.812 62.100 0.122 0.000 0.977 417 T CB -0.263 68.665 68.868 0.100 0.000 1.149 417 T HN 0.665 nan 8.240 nan 0.000 0.517 418 H N 1.112 120.087 119.070 -0.159 0.000 2.387 418 H HA 0.009 4.574 4.556 0.015 0.000 0.299 418 H C 2.311 177.508 175.328 -0.218 0.000 1.099 418 H CA 1.231 57.162 56.048 -0.195 0.000 1.315 418 H CB -0.105 29.503 29.762 -0.256 0.000 1.380 418 H HN 0.590 nan 8.280 nan 0.000 0.513 419 G N 0.139 108.790 108.800 -0.249 0.000 2.848 419 G HA2 -0.031 3.937 3.960 0.014 0.000 0.208 419 G HA3 -0.031 3.937 3.960 0.014 0.000 0.208 419 G C 0.441 175.435 174.900 0.157 0.000 1.152 419 G CA -0.183 44.796 45.100 -0.202 0.000 0.789 419 G HN 0.139 nan 8.290 nan 0.000 0.531 420 M N 0.384 120.126 119.600 0.236 0.000 2.232 420 M HA 0.290 4.779 4.480 0.014 0.000 0.321 420 M C -0.289 176.049 176.300 0.064 0.000 1.101 420 M CA -0.232 55.170 55.300 0.169 0.000 1.181 420 M CB 1.337 33.990 32.600 0.090 0.000 1.432 420 M HN -0.205 nan 8.290 nan 0.000 0.457 421 V N 3.858 123.788 119.914 0.027 0.000 2.482 421 V HA 0.373 4.501 4.120 0.014 0.000 0.295 421 V C -1.937 174.151 176.094 -0.011 0.000 1.026 421 V CA -1.325 60.975 62.300 -0.000 0.000 0.856 421 V CB 1.775 33.592 31.823 -0.010 0.000 1.001 421 V HN 0.736 nan 8.190 nan 0.000 0.424 422 P HA 0.221 nan 4.420 nan 0.000 0.277 422 P C 0.962 178.264 177.300 0.003 0.000 1.276 422 P CA -0.475 62.620 63.100 -0.008 0.000 0.788 422 P CB 1.023 32.719 31.700 -0.007 0.000 1.114 423 M N 0.526 120.132 119.600 0.009 0.000 2.279 423 M HA -0.158 4.330 4.480 0.014 0.000 0.264 423 M C 1.130 177.452 176.300 0.036 0.000 1.062 423 M CA 1.707 57.021 55.300 0.024 0.000 1.099 423 M CB -0.479 32.121 32.600 -0.001 0.000 1.394 423 M HN 0.361 nan 8.290 nan 0.000 0.426 424 N N -0.169 118.554 118.700 0.037 0.000 2.313 424 N HA -0.068 4.680 4.740 0.014 0.000 0.207 424 N C 1.127 176.625 175.510 -0.020 0.000 1.141 424 N CA 0.130 53.207 53.050 0.045 0.000 0.830 424 N CB -0.720 37.811 38.487 0.074 0.000 1.008 424 N HN 0.356 nan 8.380 nan 0.000 0.481 425 R N 0.466 120.940 120.500 -0.044 0.000 2.103 425 R HA -0.009 4.339 4.340 0.014 0.000 0.242 425 R C 1.444 177.656 176.300 -0.147 0.000 1.142 425 R CA 1.356 57.407 56.100 -0.080 0.000 0.960 425 R CB -0.071 30.179 30.300 -0.085 0.000 0.858 425 R HN 0.287 nan 8.270 nan 0.000 0.439 426 L N -0.512 120.563 121.223 -0.246 0.000 2.127 426 L HA -0.028 4.321 4.340 0.014 0.000 0.203 426 L C 2.555 179.309 176.870 -0.194 0.000 1.080 426 L CA 1.405 55.990 54.840 -0.426 0.000 0.768 426 L CB -0.613 40.936 42.059 -0.850 0.000 0.924 426 L HN 0.371 nan 8.230 nan 0.000 0.444 427 T N -4.289 110.176 114.554 -0.149 0.000 3.035 427 T HA -0.163 4.195 4.350 0.014 0.000 0.268 427 T C 1.296 175.919 174.700 -0.129 0.000 1.109 427 T CA 1.186 63.182 62.100 -0.174 0.000 1.119 427 T CB -0.232 68.488 68.868 -0.245 0.000 0.900 427 T HN 0.109 nan 8.240 nan 0.000 0.503 428 D N 1.245 121.604 120.400 -0.067 0.000 2.339 428 D HA 0.105 4.753 4.640 0.014 0.000 0.217 428 D C -0.229 176.058 176.300 -0.022 0.000 1.050 428 D CA -0.148 53.822 54.000 -0.051 0.000 0.856 428 D CB -0.089 40.686 40.800 -0.042 0.000 0.922 428 D HN 0.356 nan 8.370 nan 0.000 0.518 429 D N -0.286 120.119 120.400 0.009 0.000 2.280 429 D HA 0.132 4.780 4.640 0.014 0.000 0.236 429 D C -1.718 174.635 176.300 0.089 0.000 1.082 429 D CA -2.247 51.793 54.000 0.066 0.000 0.834 429 D CB 2.053 42.939 40.800 0.142 0.000 1.100 429 D HN -0.053 nan 8.370 nan 0.000 0.486 430 P HA -0.081 nan 4.420 nan 0.000 0.222 430 P C 0.907 178.207 177.300 -0.000 0.000 1.147 430 P CA 0.663 63.771 63.100 0.013 0.000 0.790 430 P CB 0.326 32.023 31.700 -0.005 0.000 0.780 431 R N -1.894 118.612 120.500 0.010 0.000 2.280 431 R HA -0.040 4.309 4.340 0.014 0.000 0.207 431 R C 1.407 177.563 176.300 -0.240 0.000 1.043 431 R CA 0.931 56.967 56.100 -0.108 0.000 1.006 431 R CB -0.458 29.767 30.300 -0.124 0.000 0.885 431 R HN 0.315 nan 8.270 nan 0.000 0.467 432 W N -0.141 121.107 121.300 -0.088 0.000 3.220 432 W HA 0.142 4.810 4.660 0.014 0.000 0.328 432 W C 1.458 177.920 176.519 -0.094 0.000 1.205 432 W CA -0.492 56.800 57.345 -0.087 0.000 1.773 432 W CB 0.148 29.555 29.460 -0.088 0.000 1.086 432 W HN 0.006 nan 8.180 nan 0.000 0.622 433 L N 1.982 123.226 121.223 0.035 0.000 2.046 433 L HA -0.029 4.320 4.340 0.014 0.000 0.208 433 L C -0.755 176.077 176.870 -0.063 0.000 1.077 433 L CA 2.219 57.046 54.840 -0.022 0.000 0.747 433 L CB -1.539 40.497 42.059 -0.038 0.000 0.896 433 L HN -0.237 nan 8.230 nan 0.000 0.432 434 P HA -0.131 nan 4.420 nan 0.000 0.215 434 P C 1.608 178.849 177.300 -0.098 0.000 1.157 434 P CA 2.071 65.104 63.100 -0.111 0.000 0.863 434 P CB -0.176 31.447 31.700 -0.128 0.000 0.787 435 A N -1.064 121.708 122.820 -0.081 0.000 1.902 435 A HA -0.203 4.126 4.320 0.014 0.000 0.217 435 A C 2.213 179.810 177.584 0.021 0.000 1.181 435 A CA 1.883 53.908 52.037 -0.019 0.000 0.623 435 A CB -1.476 17.534 19.000 0.017 0.000 0.818 435 A HN 0.098 nan 8.150 nan 0.000 0.443 436 M N 0.284 119.908 119.600 0.040 0.000 2.117 436 M HA -0.164 4.324 4.480 0.014 0.000 0.262 436 M C 2.575 178.825 176.300 -0.083 0.000 1.065 436 M CA 1.810 57.112 55.300 0.003 0.000 1.114 436 M CB -0.445 32.138 32.600 -0.028 0.000 1.361 436 M HN 0.678 nan 8.290 nan 0.000 0.408 437 S N 0.422 116.042 115.700 -0.134 0.000 2.374 437 S HA -0.218 4.261 4.470 0.014 0.000 0.227 437 S C 1.602 176.030 174.600 -0.287 0.000 1.037 437 S CA 1.709 59.761 58.200 -0.247 0.000 1.024 437 S CB -0.669 62.366 63.200 -0.276 0.000 0.861 437 S HN 0.546 nan 8.310 nan 0.000 0.456 438 E N 0.846 120.929 120.200 -0.196 0.000 2.204 438 E HA -0.038 4.321 4.350 0.014 0.000 0.194 438 E C 2.423 178.934 176.600 -0.149 0.000 0.989 438 E CA 0.698 56.987 56.400 -0.184 0.000 0.824 438 E CB -0.101 29.530 29.700 -0.116 0.000 0.756 438 E HN 0.581 nan 8.360 nan 0.000 0.477 439 R N 0.037 120.480 120.500 -0.094 0.000 2.115 439 R HA -0.063 4.286 4.340 0.014 0.000 0.226 439 R C 2.228 178.484 176.300 -0.073 0.000 1.100 439 R CA 0.706 56.782 56.100 -0.039 0.000 0.980 439 R CB 0.060 30.377 30.300 0.029 0.000 0.875 439 R HN 0.019 nan 8.270 nan 0.000 0.445 440 V N 0.170 119.995 119.914 -0.148 0.000 2.374 440 V HA -0.170 3.958 4.120 0.014 0.000 0.241 440 V C 2.466 178.372 176.094 -0.314 0.000 1.034 440 V CA 2.109 64.299 62.300 -0.183 0.000 1.037 440 V CB -0.241 31.468 31.823 -0.190 0.000 0.682 440 V HN 0.511 nan 8.190 nan 0.000 0.463 441 T N -0.827 113.416 114.554 -0.517 0.000 2.788 441 T HA -0.230 4.129 4.350 0.014 0.000 0.268 441 T C 1.935 176.456 174.700 -0.298 0.000 1.044 441 T CA 1.351 63.044 62.100 -0.679 0.000 1.139 441 T CB -0.391 67.874 68.868 -1.005 0.000 0.867 441 T HN 0.383 nan 8.240 nan 0.000 0.454 442 R N 0.187 120.544 120.500 -0.237 0.000 2.189 442 R HA 0.234 4.583 4.340 0.014 0.000 0.218 442 R C 2.605 178.819 176.300 -0.143 0.000 1.074 442 R CA 1.203 57.204 56.100 -0.165 0.000 0.991 442 R CB -0.417 29.798 30.300 -0.141 0.000 0.883 442 R HN 0.491 nan 8.270 nan 0.000 0.457 443 M N 0.477 119.999 119.600 -0.130 0.000 2.123 443 M HA -0.123 4.366 4.480 0.014 0.000 0.263 443 M C 1.781 177.993 176.300 -0.148 0.000 1.069 443 M CA 1.599 56.853 55.300 -0.076 0.000 1.133 443 M CB 0.150 32.748 32.600 -0.002 0.000 1.356 443 M HN -0.031 nan 8.290 nan 0.000 0.415 444 V N 1.063 120.778 119.914 -0.332 0.000 2.407 444 V HA -0.273 3.855 4.120 0.014 0.000 0.248 444 V C 2.266 178.244 176.094 -0.194 0.000 1.055 444 V CA 1.914 63.894 62.300 -0.532 0.000 1.049 444 V CB -0.917 30.576 31.823 -0.549 0.000 0.662 444 V HN 0.587 nan 8.190 nan 0.000 0.455 445 Q N -0.551 119.168 119.800 -0.135 0.000 2.170 445 Q HA -0.236 4.112 4.340 0.014 0.000 0.203 445 Q C 2.466 178.372 176.000 -0.158 0.000 0.976 445 Q CA 1.674 57.406 55.803 -0.119 0.000 0.858 445 Q CB -0.186 28.501 28.738 -0.084 0.000 0.907 445 Q HN 0.539 nan 8.270 nan 0.000 0.433 446 R N 0.279 120.679 120.500 -0.166 0.000 2.075 446 R HA -0.093 4.256 4.340 0.014 0.000 0.226 446 R C 0.637 176.854 176.300 -0.138 0.000 1.114 446 R CA 1.359 57.336 56.100 -0.205 0.000 0.972 446 R CB 0.387 30.574 30.300 -0.188 0.000 0.869 446 R HN 0.148 nan 8.270 nan 0.000 0.437 447 D N -0.289 120.097 120.400 -0.023 0.000 2.369 447 D HA -0.010 4.639 4.640 0.014 0.000 0.211 447 D C 1.353 177.758 176.300 0.176 0.000 1.077 447 D CA 0.139 54.177 54.000 0.065 0.000 0.842 447 D CB 0.231 41.032 40.800 0.002 0.000 0.947 447 D HN 0.362 nan 8.370 nan 0.000 0.509 448 R N 0.664 121.284 120.500 0.199 0.000 2.241 448 R HA -0.011 4.337 4.340 0.014 0.000 0.224 448 R C 0.751 177.055 176.300 0.006 0.000 1.101 448 R CA 0.922 57.157 56.100 0.225 0.000 0.995 448 R CB -0.286 30.082 30.300 0.115 0.000 0.870 448 R HN -0.073 nan 8.270 nan 0.000 0.463 449 N N 0.206 118.831 118.700 -0.124 0.000 2.280 449 N HA 0.009 4.757 4.740 0.014 0.000 0.192 449 N C -0.541 174.835 175.510 -0.223 0.000 1.109 449 N CA 0.202 53.150 53.050 -0.170 0.000 0.855 449 N CB 0.117 38.478 38.487 -0.210 0.000 0.974 449 N HN 0.270 nan 8.380 nan 0.000 0.482 450 H N 1.342 120.347 119.070 -0.108 0.000 2.742 450 H HA 0.108 4.672 4.556 0.014 0.000 0.302 450 H C -1.194 173.981 175.328 -0.255 0.000 1.069 450 H CA -1.262 54.706 56.048 -0.133 0.000 1.446 450 H CB 1.505 31.218 29.762 -0.082 0.000 1.462 450 H HN 0.053 nan 8.280 nan 0.000 0.499 451 P HA -0.142 nan 4.420 nan 0.000 0.219 451 P C 1.419 178.233 177.300 -0.810 0.000 1.150 451 P CA 1.073 63.810 63.100 -0.604 0.000 0.814 451 P CB 0.289 31.379 31.700 -1.016 0.000 0.787 452 S N -0.670 114.658 115.700 -0.620 0.000 2.419 452 S HA -0.049 4.429 4.470 0.014 0.000 0.233 452 S C 1.129 175.675 174.600 -0.090 0.000 1.016 452 S CA 0.410 58.397 58.200 -0.355 0.000 0.974 452 S CB -1.561 61.623 63.200 -0.026 0.000 0.786 452 S HN -0.064 nan 8.310 nan 0.000 0.492 453 V N 3.720 123.565 119.914 -0.114 0.000 2.446 453 V HA 0.197 4.326 4.120 0.014 0.000 0.276 453 V C 1.151 177.098 176.094 -0.245 0.000 1.030 453 V CA 0.103 62.307 62.300 -0.161 0.000 1.033 453 V CB 0.277 31.910 31.823 -0.317 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.610 123.094 120.570 -0.143 0.000 4.187 454 I HA 0.506 4.684 4.170 0.014 0.000 0.326 454 I C 0.388 176.392 176.117 -0.188 0.000 1.302 454 I CA 0.521 61.745 61.300 -0.126 0.000 1.196 454 I CB 0.478 38.483 38.000 0.009 0.000 1.095 454 I HN 0.324 nan 8.210 nan 0.000 0.411 455 I N 0.230 120.667 120.570 -0.223 0.000 2.656 455 I HA 0.350 4.528 4.170 0.014 0.000 0.292 455 I C -1.549 174.474 176.117 -0.157 0.000 1.144 455 I CA -0.387 60.829 61.300 -0.141 0.000 1.038 455 I CB 2.094 40.101 38.000 0.012 0.000 1.244 455 I HN 0.030 nan 8.210 nan 0.000 0.420 456 W N 4.050 125.397 121.300 0.078 0.000 2.438 456 W HA 0.614 5.281 4.660 0.012 0.000 0.324 456 W C 0.432 177.013 176.519 0.104 0.000 1.119 456 W CA -0.626 56.770 57.345 0.086 0.000 1.221 456 W CB 1.678 31.185 29.460 0.078 0.000 1.253 456 W HN 0.314 nan 8.180 nan 0.000 0.555 457 S N 2.661 118.591 115.700 0.383 0.000 2.503 457 S HA 0.415 4.893 4.470 0.014 0.000 0.301 457 S C 0.189 174.953 174.600 0.274 0.000 1.087 457 S CA -0.721 57.653 58.200 0.290 0.000 1.042 457 S CB 0.845 64.172 63.200 0.211 0.000 1.043 457 S HN 0.576 nan 8.310 nan 0.000 0.489 458 L N 4.052 125.427 121.223 0.252 0.000 2.627 458 L HA 0.359 4.708 4.340 0.014 0.000 0.233 458 L C 1.362 178.289 176.870 0.094 0.000 1.144 458 L CA 0.454 55.361 54.840 0.112 0.000 0.892 458 L CB -1.105 40.911 42.059 -0.071 0.000 1.039 458 L HN 1.001 nan 8.230 nan 0.000 0.442 459 G N 0.103 109.048 108.800 0.241 0.000 2.265 459 G HA2 -0.129 3.840 3.960 0.014 0.000 0.246 459 G HA3 -0.129 3.840 3.960 0.014 0.000 0.246 459 G C -1.632 173.467 174.900 0.332 0.000 1.299 459 G CA -0.491 44.761 45.100 0.253 0.000 1.117 459 G HN 0.197 nan 8.290 nan 0.000 0.485 460 N N 0.010 118.848 118.700 0.231 0.000 2.405 460 N HA 0.468 5.216 4.740 0.014 0.000 0.274 460 N C -0.448 175.019 175.510 -0.072 0.000 1.170 460 N CA 0.182 53.224 53.050 -0.012 0.000 0.848 460 N CB 1.555 39.779 38.487 -0.438 0.000 1.629 460 N HN 0.925 nan 8.380 nan 0.000 0.481 461 E N 0.516 120.568 120.200 -0.247 0.000 2.149 461 E HA -0.176 4.183 4.350 0.014 0.000 0.191 461 E C -0.825 175.669 176.600 -0.176 0.000 1.384 461 E CA 0.836 56.998 56.400 -0.396 0.000 0.698 461 E CB -1.370 27.836 29.700 -0.823 0.000 1.086 461 E HN 0.443 nan 8.360 nan 0.000 0.338 462 S N -0.017 115.732 115.700 0.082 0.000 2.843 462 S HA 0.414 4.893 4.470 0.014 0.000 0.249 462 S C 0.626 175.389 174.600 0.271 0.000 1.047 462 S CA -0.169 58.148 58.200 0.195 0.000 1.042 462 S CB 1.397 64.779 63.200 0.304 0.000 0.936 462 S HN 0.840 nan 8.310 nan 0.000 0.531 463 G N 1.956 110.840 108.800 0.140 0.000 2.641 463 G HA2 -0.262 3.707 3.960 0.014 0.000 0.254 463 G HA3 -0.262 3.707 3.960 0.014 0.000 0.254 463 G C -0.541 174.555 174.900 0.327 0.000 1.315 463 G CA -0.228 44.964 45.100 0.153 0.000 0.907 463 G HN 0.655 nan 8.290 nan 0.000 0.572 464 H N 0.303 119.484 119.070 0.185 0.000 2.800 464 H HA 0.576 5.141 4.556 0.014 0.000 0.322 464 H C 0.377 175.870 175.328 0.275 0.000 0.979 464 H CA -0.194 56.009 56.048 0.258 0.000 1.277 464 H CB 0.657 30.501 29.762 0.136 0.000 1.484 464 H HN 1.013 nan 8.280 nan 0.000 0.512 465 G N 1.609 110.585 108.800 0.294 0.000 2.511 465 G HA2 0.444 4.412 3.960 0.014 0.000 0.318 465 G HA3 0.444 4.412 3.960 0.014 0.000 0.318 465 G C 0.608 175.444 174.900 -0.107 0.000 1.210 465 G CA -0.165 44.912 45.100 -0.038 0.000 0.969 465 G HN 0.700 nan 8.290 nan 0.000 0.484 466 A N 0.569 123.318 122.820 -0.118 0.000 2.024 466 A HA -0.098 4.230 4.320 0.014 0.000 0.220 466 A C 2.125 179.697 177.584 -0.021 0.000 1.164 466 A CA 1.804 53.806 52.037 -0.059 0.000 0.643 466 A CB -0.397 18.579 19.000 -0.039 0.000 0.806 466 A HN 0.542 nan 8.150 nan 0.000 0.451 467 N N -0.199 118.451 118.700 -0.083 0.000 2.223 467 N HA -0.145 4.604 4.740 0.014 0.000 0.185 467 N C 1.353 176.808 175.510 -0.093 0.000 1.016 467 N CA 1.701 54.685 53.050 -0.110 0.000 0.863 467 N CB -0.666 37.715 38.487 -0.176 0.000 0.983 467 N HN 0.788 nan 8.380 nan 0.000 0.429 468 H N 0.284 119.358 119.070 0.006 0.000 2.357 468 H HA -0.015 4.550 4.556 0.014 0.000 0.301 468 H C 1.251 176.651 175.328 0.120 0.000 1.082 468 H CA 1.250 57.306 56.048 0.013 0.000 1.342 468 H CB 0.158 29.946 29.762 0.044 0.000 1.389 468 H HN 0.184 nan 8.280 nan 0.000 0.511 469 D N 0.367 120.934 120.400 0.277 0.000 2.117 469 D HA -0.111 4.538 4.640 0.014 0.000 0.198 469 D C 2.308 178.758 176.300 0.250 0.000 0.982 469 D CA 1.134 55.287 54.000 0.256 0.000 0.828 469 D CB -0.365 40.553 40.800 0.197 0.000 0.967 469 D HN 0.420 nan 8.370 nan 0.000 0.464 470 A N 0.857 123.776 122.820 0.165 0.000 1.902 470 A HA -0.126 4.202 4.320 0.014 0.000 0.217 470 A C 2.411 180.105 177.584 0.184 0.000 1.181 470 A CA 0.981 53.107 52.037 0.148 0.000 0.623 470 A CB -0.762 18.282 19.000 0.074 0.000 0.818 470 A HN 0.199 nan 8.150 nan 0.000 0.443 471 L N -2.245 119.069 121.223 0.153 0.000 2.109 471 L HA -0.140 4.209 4.340 0.014 0.000 0.207 471 L C 2.551 179.567 176.870 0.242 0.000 1.086 471 L CA 1.482 56.414 54.840 0.153 0.000 0.760 471 L CB -0.734 41.344 42.059 0.031 0.000 0.910 471 L HN 0.571 nan 8.230 nan 0.000 0.437 472 Y N 1.334 121.715 120.300 0.136 0.000 2.114 472 Y HA -0.350 4.207 4.550 0.011 0.000 0.282 472 Y C 2.840 178.821 175.900 0.135 0.000 1.165 472 Y CA 1.858 60.040 58.100 0.137 0.000 1.148 472 Y CB -0.168 38.373 38.460 0.135 0.000 0.972 472 Y HN -0.029 nan 8.280 nan 0.000 0.504 473 R N -0.167 120.468 120.500 0.224 0.000 2.096 473 R HA -0.203 4.145 4.340 0.014 0.000 0.235 473 R C 2.033 178.345 176.300 0.020 0.000 1.127 473 R CA 1.911 58.058 56.100 0.079 0.000 0.968 473 R CB -1.509 28.905 30.300 0.189 0.000 0.861 473 R HN 0.653 nan 8.270 nan 0.000 0.440 474 W N 0.441 121.704 121.300 -0.062 0.000 2.335 474 W HA -0.134 4.535 4.660 0.015 0.000 0.311 474 W C 1.656 178.085 176.519 -0.149 0.000 1.213 474 W CA 1.943 59.235 57.345 -0.089 0.000 1.274 474 W CB -0.249 29.163 29.460 -0.081 0.000 1.148 474 W HN 0.073 nan 8.180 nan 0.000 0.498 475 I N 0.763 121.362 120.570 0.048 0.000 2.252 475 I HA -0.319 3.859 4.170 0.014 0.000 0.245 475 I C 2.367 178.294 176.117 -0.317 0.000 1.102 475 I CA 1.237 62.407 61.300 -0.216 0.000 1.385 475 I CB -0.690 37.240 38.000 -0.116 0.000 1.064 475 I HN -0.119 nan 8.210 nan 0.000 0.414 476 K N 0.619 120.831 120.400 -0.312 0.000 2.147 476 K HA -0.072 4.256 4.320 0.014 0.000 0.205 476 K C 2.233 178.692 176.600 -0.235 0.000 1.049 476 K CA 1.141 57.261 56.287 -0.278 0.000 0.936 476 K CB -0.371 31.924 32.500 -0.342 0.000 0.722 476 K HN 0.246 nan 8.250 nan 0.000 0.446 477 S N 0.672 116.200 115.700 -0.287 0.000 2.377 477 S HA -0.045 4.433 4.470 0.014 0.000 0.223 477 S C 2.153 176.538 174.600 -0.359 0.000 1.030 477 S CA 0.737 58.770 58.200 -0.277 0.000 0.970 477 S CB -0.020 63.012 63.200 -0.281 0.000 0.830 477 S HN -0.003 nan 8.310 nan 0.000 0.473 478 V N 1.180 120.740 119.914 -0.590 0.000 2.591 478 V HA 0.029 4.157 4.120 0.014 0.000 0.249 478 V C 0.439 176.296 176.094 -0.395 0.000 1.053 478 V CA 1.183 63.106 62.300 -0.628 0.000 1.068 478 V CB -0.164 30.935 31.823 -1.207 0.000 0.689 478 V HN 0.367 nan 8.190 nan 0.000 0.462 479 D N -0.898 119.319 120.400 -0.305 0.000 2.363 479 D HA 0.251 4.900 4.640 0.014 0.000 0.258 479 D C -2.164 174.120 176.300 -0.027 0.000 1.259 479 D CA -1.700 52.233 54.000 -0.111 0.000 0.921 479 D CB 1.607 42.425 40.800 0.029 0.000 1.201 479 D HN 0.102 nan 8.370 nan 0.000 0.524 480 P HA -0.028 nan 4.420 nan 0.000 0.237 480 P C 1.127 178.443 177.300 0.027 0.000 1.178 480 P CA 0.432 63.523 63.100 -0.016 0.000 0.766 480 P CB 0.112 31.796 31.700 -0.026 0.000 0.876 481 S N -1.258 114.467 115.700 0.042 0.000 2.522 481 S HA 0.052 4.531 4.470 0.014 0.000 0.227 481 S C 0.856 175.479 174.600 0.039 0.000 0.986 481 S CA -0.067 58.162 58.200 0.047 0.000 0.929 481 S CB -0.398 62.824 63.200 0.036 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.529 482 R N 1.021 121.556 120.500 0.059 0.000 2.621 482 R HA 0.536 4.884 4.340 0.014 0.000 0.284 482 R C -3.221 173.127 176.300 0.081 0.000 0.998 482 R CA -2.234 53.868 56.100 0.003 0.000 0.895 482 R CB 1.435 31.614 30.300 -0.202 0.000 1.195 482 R HN 0.124 nan 8.270 nan 0.000 0.450 483 P HA 0.038 nan 4.420 nan 0.000 0.270 483 P C -0.826 176.578 177.300 0.173 0.000 1.223 483 P CA -0.287 62.875 63.100 0.103 0.000 0.785 483 P CB 0.631 32.377 31.700 0.077 0.000 0.923 484 V N 2.330 122.374 119.914 0.217 0.000 2.495 484 V HA 0.400 4.528 4.120 0.014 0.000 0.298 484 V C 0.183 176.457 176.094 0.300 0.000 1.031 484 V CA -0.311 62.166 62.300 0.295 0.000 0.871 484 V CB 1.305 33.286 31.823 0.265 0.000 0.988 484 V HN 0.605 nan 8.190 nan 0.000 0.432 485 Q N 3.669 123.626 119.800 0.263 0.000 2.458 485 Q HA 0.827 5.175 4.340 0.014 0.000 0.282 485 Q C -1.815 174.340 176.000 0.258 0.000 1.106 485 Q CA -0.923 55.000 55.803 0.200 0.000 0.814 485 Q CB 2.991 31.795 28.738 0.111 0.000 1.425 485 Q HN 0.626 nan 8.270 nan 0.000 0.437 486 Y N -0.178 120.121 120.300 -0.002 0.000 2.409 486 Y HA 0.138 4.695 4.550 0.013 0.000 0.321 486 Y C -0.751 175.075 175.900 -0.124 0.000 1.209 486 Y CA -0.765 57.298 58.100 -0.061 0.000 1.086 486 Y CB 1.971 40.373 38.460 -0.095 0.000 1.320 486 Y HN 0.951 nan 8.280 nan 0.000 0.440 487 E N 3.212 122.908 120.200 -0.840 0.000 2.400 487 E HA 0.164 4.522 4.350 0.014 0.000 0.195 487 E C 0.608 176.755 176.600 -0.755 0.000 1.012 487 E CA 0.643 56.669 56.400 -0.625 0.000 0.875 487 E CB 0.334 29.787 29.700 -0.412 0.000 0.859 487 E HN 0.883 nan 8.360 nan 0.000 0.498 488 G N -0.032 107.907 108.800 -1.434 0.000 2.484 488 G HA2 0.238 4.207 3.960 0.014 0.000 0.235 488 G HA3 0.238 4.207 3.960 0.014 0.000 0.235 488 G C 0.803 175.531 174.900 -0.287 0.000 1.282 488 G CA 0.269 44.942 45.100 -0.711 0.000 0.857 488 G HN 0.324 nan 8.290 nan 0.000 0.571 489 G N -0.543 108.204 108.800 -0.089 0.000 2.160 489 G HA2 0.233 4.202 3.960 0.014 0.000 0.251 489 G HA3 0.233 4.202 3.960 0.014 0.000 0.251 489 G C 1.251 176.161 174.900 0.017 0.000 1.008 489 G CA 0.998 46.118 45.100 0.033 0.000 0.724 489 G HN 2.615 nan 8.290 nan 0.000 0.514 490 G N -1.613 107.185 108.800 -0.002 0.000 2.205 490 G HA2 0.434 4.402 3.960 0.014 0.000 0.180 490 G HA3 0.434 4.402 3.960 0.014 0.000 0.180 490 G C 1.043 176.056 174.900 0.188 0.000 1.004 490 G CA 1.274 46.439 45.100 0.109 0.000 0.670 490 G HN 2.356 nan 8.290 nan 0.000 0.496 491 A N -0.292 122.524 122.820 -0.008 0.000 3.396 491 A HA -0.090 4.238 4.320 0.014 0.000 0.267 491 A C 1.032 178.555 177.584 -0.101 0.000 1.139 491 A CA 2.593 54.569 52.037 -0.102 0.000 1.115 491 A CB -1.774 17.142 19.000 -0.140 0.000 1.133 491 A HN 2.119 nan 8.150 nan 0.000 0.920 492 D N -1.046 119.372 120.400 0.031 0.000 2.785 492 D HA 0.319 4.967 4.640 0.014 0.000 0.324 492 D C 0.347 176.649 176.300 0.004 0.000 1.523 492 D CA 0.776 54.802 54.000 0.044 0.000 0.789 492 D CB -1.150 39.825 40.800 0.290 0.000 1.171 492 D HN 0.829 nan 8.370 nan 0.000 0.447 493 T N -2.482 112.002 114.554 -0.116 0.000 2.732 493 T HA 0.227 4.586 4.350 0.014 0.000 0.287 493 T C 1.630 176.199 174.700 -0.218 0.000 0.993 493 T CA 0.393 62.363 62.100 -0.216 0.000 0.966 493 T CB 0.922 69.402 68.868 -0.648 0.000 1.047 493 T HN 0.082 nan 8.240 nan 0.000 0.527 494 T N -2.405 112.036 114.554 -0.189 0.000 3.155 494 T HA 0.160 4.518 4.350 0.014 0.000 0.264 494 T C 1.447 175.889 174.700 -0.429 0.000 1.160 494 T CA 0.347 62.334 62.100 -0.188 0.000 1.075 494 T CB -0.528 68.321 68.868 -0.033 0.000 0.921 494 T HN 0.851 nan 8.240 nan 0.000 0.533 495 A N 0.436 123.000 122.820 -0.426 0.000 2.507 495 A HA 0.535 4.863 4.320 0.014 0.000 0.270 495 A C 0.732 178.144 177.584 -0.286 0.000 1.318 495 A CA -0.364 51.389 52.037 -0.473 0.000 0.924 495 A CB 0.062 19.019 19.000 -0.072 0.000 1.061 495 A HN 0.420 nan 8.150 nan 0.000 0.516 496 T N -1.477 112.917 114.554 -0.266 0.000 2.952 496 T HA 0.361 4.719 4.350 0.014 0.000 0.305 496 T C -0.655 174.066 174.700 0.035 0.000 1.064 496 T CA -0.420 61.676 62.100 -0.007 0.000 1.008 496 T CB 1.247 70.099 68.868 -0.025 0.000 1.078 496 T HN 0.076 nan 8.240 nan 0.000 0.459 497 D N 2.870 123.375 120.400 0.175 0.000 2.348 497 D HA 0.269 4.918 4.640 0.014 0.000 0.211 497 D C 0.332 176.666 176.300 0.056 0.000 0.998 497 D CA 0.729 54.816 54.000 0.145 0.000 0.873 497 D CB 0.363 41.278 40.800 0.192 0.000 0.925 497 D HN 0.545 nan 8.370 nan 0.000 0.524 498 I N 0.965 121.548 120.570 0.023 0.000 2.498 498 I HA 0.248 4.426 4.170 0.014 0.000 0.290 498 I C -0.234 175.820 176.117 -0.105 0.000 1.032 498 I CA -0.869 60.411 61.300 -0.034 0.000 1.073 498 I CB 2.781 40.774 38.000 -0.011 0.000 1.251 498 I HN -0.350 nan 8.210 nan 0.000 0.426 499 I N 5.858 126.320 120.570 -0.180 0.000 2.517 499 I HA 0.034 4.213 4.170 0.014 0.000 0.285 499 I C 0.226 176.135 176.117 -0.348 0.000 1.106 499 I CA 0.079 61.176 61.300 -0.338 0.000 1.402 499 I CB 0.204 37.896 38.000 -0.512 0.000 1.399 499 I HN 0.687 nan 8.210 nan 0.000 0.535 500 C N 5.627 124.735 119.300 -0.320 0.000 3.401 500 C HA 0.477 4.945 4.460 0.014 0.000 0.204 500 C C -2.223 172.630 174.990 -0.228 0.000 1.522 500 C CA -2.246 56.637 59.018 -0.224 0.000 1.409 500 C CB -0.904 26.763 27.740 -0.122 0.000 1.967 500 C HN 0.409 nan 8.230 nan 0.000 0.496 501 P HA 0.334 nan 4.420 nan 0.000 0.274 501 P C -0.430 176.817 177.300 -0.088 0.000 1.256 501 P CA 0.216 63.212 63.100 -0.173 0.000 0.795 501 P CB 0.766 32.385 31.700 -0.134 0.000 1.038 502 M N 0.121 119.689 119.600 -0.052 0.000 2.181 502 M HA 0.451 4.940 4.480 0.014 0.000 0.323 502 M C -0.946 175.347 176.300 -0.012 0.000 1.004 502 M CA -0.652 54.512 55.300 -0.226 0.000 0.941 502 M CB 1.071 33.465 32.600 -0.344 0.000 1.579 502 M HN 0.262 nan 8.290 nan 0.000 0.427 503 Y N -0.184 120.290 120.300 0.289 0.000 4.272 503 Y HA -0.195 4.364 4.550 0.015 0.000 0.232 503 Y C 0.461 176.543 175.900 0.304 0.000 1.149 503 Y CA 0.506 58.786 58.100 0.300 0.000 1.961 503 Y CB -2.458 36.158 38.460 0.259 0.000 1.611 503 Y HN 0.979 nan 8.280 nan 0.000 0.682 504 A N 1.030 124.082 122.820 0.387 0.000 2.440 504 A HA 0.580 4.909 4.320 0.014 0.000 0.251 504 A C 0.796 178.611 177.584 0.384 0.000 1.089 504 A CA -0.436 51.826 52.037 0.375 0.000 0.779 504 A CB 0.395 19.656 19.000 0.434 0.000 1.022 504 A HN 0.408 nan 8.150 nan 0.000 0.492 505 R N 1.442 122.090 120.500 0.247 0.000 2.546 505 R HA 0.353 4.702 4.340 0.014 0.000 0.266 505 R C 0.938 177.204 176.300 -0.057 0.000 1.086 505 R CA -0.754 55.413 56.100 0.112 0.000 1.160 505 R CB 0.657 30.993 30.300 0.060 0.000 1.138 505 R HN 0.481 nan 8.270 nan 0.000 0.567 506 V N 0.575 120.298 119.914 -0.319 0.000 2.346 506 V HA -0.174 3.954 4.120 0.014 0.000 0.244 506 V C 0.938 176.912 176.094 -0.200 0.000 1.037 506 V CA 1.821 63.894 62.300 -0.378 0.000 1.029 506 V CB -0.239 31.229 31.823 -0.591 0.000 0.663 506 V HN 0.728 nan 8.190 nan 0.000 0.454 507 D N -1.300 119.014 120.400 -0.143 0.000 2.454 507 D HA 0.096 4.744 4.640 0.014 0.000 0.219 507 D C 0.917 177.199 176.300 -0.030 0.000 1.081 507 D CA 0.088 54.041 54.000 -0.079 0.000 0.867 507 D CB 0.660 41.419 40.800 -0.068 0.000 1.054 507 D HN 0.472 nan 8.370 nan 0.000 0.500 508 E N 1.855 122.042 120.200 -0.023 0.000 2.167 508 E HA 0.102 4.461 4.350 0.014 0.000 0.284 508 E C -0.804 175.797 176.600 0.002 0.000 1.016 508 E CA -0.586 55.811 56.400 -0.006 0.000 0.817 508 E CB 0.895 30.593 29.700 -0.003 0.000 1.080 508 E HN -0.177 nan 8.360 nan 0.000 0.397 509 D N 3.602 124.007 120.400 0.008 0.000 2.313 509 D HA 0.125 4.773 4.640 0.014 0.000 0.247 509 D C -0.553 175.639 176.300 -0.179 0.000 1.094 509 D CA 0.203 54.203 54.000 -0.000 0.000 0.925 509 D CB 1.144 42.030 40.800 0.143 0.000 1.188 509 D HN 0.421 nan 8.370 nan 0.000 0.430 510 Q N 1.462 121.015 119.800 -0.411 0.000 2.771 510 Q HA 0.243 4.591 4.340 0.014 0.000 0.247 510 Q C -2.255 173.077 176.000 -1.114 0.000 0.986 510 Q CA -1.503 53.843 55.803 -0.763 0.000 0.713 510 Q CB 2.401 30.629 28.738 -0.851 0.000 1.241 510 Q HN 0.172 nan 8.270 nan 0.000 0.488 511 P HA 0.053 nan 4.420 nan 0.000 0.220 511 P C -0.693 176.301 177.300 -0.509 0.000 1.806 511 P CA -0.269 62.383 63.100 -0.747 0.000 0.976 511 P CB -0.426 31.072 31.700 -0.338 0.000 1.952 512 F N 2.919 122.686 119.950 -0.304 0.000 2.602 512 F HA 0.121 4.656 4.527 0.014 0.000 0.367 512 F C -1.118 174.574 175.800 -0.180 0.000 1.126 512 F CA -2.332 55.553 58.000 -0.193 0.000 1.321 512 F CB -1.010 37.892 39.000 -0.165 0.000 1.094 512 F HN 0.145 nan 8.300 nan 0.000 0.594 513 P HA 0.139 nan 4.420 nan 0.000 0.265 513 P C 0.403 177.719 177.300 0.026 0.000 1.193 513 P CA 1.057 64.175 63.100 0.030 0.000 0.765 513 P CB 1.048 32.764 31.700 0.027 0.000 0.823 514 A N 3.020 125.849 122.820 0.014 0.000 2.617 514 A HA -0.257 4.072 4.320 0.014 0.000 0.236 514 A C 0.765 178.359 177.584 0.016 0.000 0.551 514 A CA 1.989 54.039 52.037 0.022 0.000 1.144 514 A CB -2.720 16.293 19.000 0.021 0.000 1.384 514 A HN 0.723 nan 8.150 nan 0.000 0.694 515 V N -2.865 117.055 119.914 0.009 0.000 2.454 515 V HA 0.568 4.696 4.120 0.014 0.000 0.255 515 V C -2.425 173.659 176.094 -0.016 0.000 1.009 515 V CA -1.311 60.995 62.300 0.010 0.000 1.149 515 V CB 0.569 32.405 31.823 0.022 0.000 1.418 515 V HN 0.500 nan 8.190 nan 0.000 0.567 516 P HA 0.246 nan 4.420 nan 0.000 0.269 516 P C -0.561 176.286 177.300 -0.755 0.000 1.209 516 P CA 0.180 62.864 63.100 -0.694 0.000 0.776 516 P CB 0.943 31.769 31.700 -1.456 0.000 0.876 517 K N 2.612 122.628 120.400 -0.640 0.000 2.356 517 K HA 0.195 4.523 4.320 0.014 0.000 0.243 517 K C -0.360 175.959 176.600 -0.468 0.000 1.072 517 K CA -0.276 55.846 56.287 -0.276 0.000 1.014 517 K CB 0.283 32.863 32.500 0.133 0.000 1.523 517 K HN 0.476 nan 8.250 nan 0.000 0.455 518 W N 1.340 122.329 121.300 -0.518 0.000 2.112 518 W HA 0.018 4.688 4.660 0.017 0.000 0.349 518 W C 1.351 177.868 176.519 -0.003 0.000 1.289 518 W CA -0.431 56.694 57.345 -0.367 0.000 1.256 518 W CB 0.461 29.518 29.460 -0.671 0.000 1.148 518 W HN 0.364 nan 8.180 nan 0.000 0.590 519 S N 3.155 119.007 115.700 0.254 0.000 2.558 519 S HA -0.089 4.389 4.470 0.014 0.000 0.293 519 S C 1.141 175.886 174.600 0.241 0.000 1.292 519 S CA -0.123 58.173 58.200 0.159 0.000 1.063 519 S CB 0.147 63.389 63.200 0.070 0.000 0.831 519 S HN 0.495 nan 8.310 nan 0.000 0.499 520 I N 2.147 122.824 120.570 0.179 0.000 2.394 520 I HA -0.102 4.077 4.170 0.014 0.000 0.251 520 I C 2.048 178.186 176.117 0.035 0.000 1.136 520 I CA 1.127 62.539 61.300 0.186 0.000 1.425 520 I CB -0.398 37.657 38.000 0.091 0.000 1.079 520 I HN 0.579 nan 8.210 nan 0.000 0.425 521 K N 1.538 121.855 120.400 -0.139 0.000 2.097 521 K HA -0.142 4.186 4.320 0.014 0.000 0.205 521 K C 2.299 178.874 176.600 -0.043 0.000 1.050 521 K CA 1.481 57.586 56.287 -0.304 0.000 0.938 521 K CB -0.166 32.068 32.500 -0.442 0.000 0.718 521 K HN 0.348 nan 8.250 nan 0.000 0.442 522 K N 0.080 120.488 120.400 0.013 0.000 2.103 522 K HA -0.162 4.166 4.320 0.014 0.000 0.204 522 K C 1.862 178.482 176.600 0.034 0.000 1.052 522 K CA 0.800 57.085 56.287 -0.004 0.000 0.945 522 K CB -0.058 32.411 32.500 -0.053 0.000 0.722 522 K HN 0.220 nan 8.250 nan 0.000 0.443 523 W N 2.223 123.504 121.300 -0.031 0.000 2.338 523 W HA -0.201 4.465 4.660 0.010 0.000 0.304 523 W C 1.657 178.159 176.519 -0.028 0.000 1.212 523 W CA 1.122 58.464 57.345 -0.005 0.000 1.264 523 W CB -0.705 28.830 29.460 0.124 0.000 1.142 523 W HN 0.076 nan 8.180 nan 0.000 0.512 524 L N 0.846 122.233 121.223 0.274 0.000 2.081 524 L HA -0.272 4.076 4.340 0.014 0.000 0.212 524 L C 2.272 179.214 176.870 0.120 0.000 1.080 524 L CA 2.102 57.036 54.840 0.156 0.000 0.754 524 L CB -1.010 41.127 42.059 0.130 0.000 0.893 524 L HN 0.000 nan 8.230 nan 0.000 0.433 525 S N -1.469 114.284 115.700 0.088 0.000 2.597 525 S HA 0.244 4.722 4.470 0.014 0.000 0.224 525 S C 0.603 175.194 174.600 -0.015 0.000 0.955 525 S CA -0.510 57.713 58.200 0.038 0.000 0.933 525 S CB -0.413 62.807 63.200 0.034 0.000 0.788 525 S HN 0.157 nan 8.310 nan 0.000 0.488 526 L N 1.970 123.176 121.223 -0.029 0.000 2.499 526 L HA 0.209 4.558 4.340 0.014 0.000 0.281 526 L C -2.221 174.620 176.870 -0.049 0.000 1.234 526 L CA -1.685 53.090 54.840 -0.108 0.000 0.839 526 L CB -0.316 41.654 42.059 -0.148 0.000 1.104 526 L HN 0.014 nan 8.230 nan 0.000 0.500 527 P HA -0.028 nan 4.420 nan 0.000 0.260 527 P C 0.717 178.013 177.300 -0.007 0.000 1.172 527 P CA 1.113 64.192 63.100 -0.035 0.000 0.760 527 P CB 0.544 32.218 31.700 -0.044 0.000 0.773 528 G N 1.845 110.648 108.800 0.004 0.000 2.234 528 G HA2 -0.281 3.688 3.960 0.014 0.000 0.260 528 G HA3 -0.281 3.688 3.960 0.014 0.000 0.260 528 G C 0.290 175.208 174.900 0.032 0.000 0.987 528 G CA 0.195 45.305 45.100 0.018 0.000 0.625 528 G HN 0.615 nan 8.290 nan 0.000 0.532 529 E N 1.024 121.248 120.200 0.040 0.000 2.313 529 E HA 0.606 4.965 4.350 0.014 0.000 0.276 529 E C 1.331 177.959 176.600 0.048 0.000 1.031 529 E CA 0.648 57.085 56.400 0.062 0.000 0.857 529 E CB 0.818 30.582 29.700 0.107 0.000 1.040 529 E HN 0.518 nan 8.360 nan 0.000 0.408 530 T N 0.598 115.177 114.554 0.041 0.000 3.130 530 T HA 0.332 4.691 4.350 0.014 0.000 0.288 530 T C 0.569 175.282 174.700 0.022 0.000 0.936 530 T CA -0.470 61.649 62.100 0.031 0.000 0.897 530 T CB 0.084 68.969 68.868 0.028 0.000 1.178 530 T HN 0.248 nan 8.240 nan 0.000 0.543 531 R N 2.326 122.835 120.500 0.016 0.000 2.637 531 R HA 0.457 4.805 4.340 0.014 0.000 0.269 531 R C -2.535 173.751 176.300 -0.025 0.000 1.089 531 R CA -1.809 54.289 56.100 -0.003 0.000 1.177 531 R CB 0.072 30.364 30.300 -0.014 0.000 1.091 531 R HN 0.220 nan 8.270 nan 0.000 0.540 532 P HA 0.090 nan 4.420 nan 0.000 0.274 532 P C -1.070 176.167 177.300 -0.105 0.000 1.237 532 P CA -0.141 62.924 63.100 -0.059 0.000 0.793 532 P CB 0.666 32.333 31.700 -0.056 0.000 0.977 533 L N 2.291 123.434 121.223 -0.133 0.000 2.349 533 L HA 0.566 4.914 4.340 0.014 0.000 0.278 533 L C -1.009 175.730 176.870 -0.218 0.000 0.996 533 L CA -0.620 54.101 54.840 -0.198 0.000 0.825 533 L CB 0.628 42.565 42.059 -0.204 0.000 1.243 533 L HN 0.227 nan 8.230 nan 0.000 0.412 534 I N 5.614 126.062 120.570 -0.204 0.000 2.468 534 I HA 0.267 4.445 4.170 0.014 0.000 0.285 534 I C -0.735 175.302 176.117 -0.133 0.000 1.039 534 I CA -0.598 60.570 61.300 -0.220 0.000 1.074 534 I CB 1.985 39.916 38.000 -0.115 0.000 1.228 534 I HN 0.468 nan 8.210 nan 0.000 0.436 535 L N 5.675 126.793 121.223 -0.175 0.000 2.455 535 L HA 0.024 4.372 4.340 0.014 0.000 0.272 535 L C 1.472 178.435 176.870 0.155 0.000 1.174 535 L CA -0.081 54.728 54.840 -0.052 0.000 0.869 535 L CB 0.623 42.638 42.059 -0.074 0.000 1.130 535 L HN 0.862 nan 8.230 nan 0.000 0.474 536 C N 0.814 120.177 119.300 0.105 0.000 2.464 536 C HA 0.106 4.574 4.460 0.014 0.000 0.278 536 C C 0.736 175.880 174.990 0.258 0.000 1.375 536 C CA -0.118 59.004 59.018 0.174 0.000 1.761 536 C CB -0.891 26.856 27.740 0.012 0.000 1.944 536 C HN 0.813 nan 8.230 nan 0.000 0.509 537 Q N -0.376 119.505 119.800 0.135 0.000 2.284 537 Q HA 0.640 4.989 4.340 0.014 0.000 0.269 537 Q C -1.440 174.573 176.000 0.023 0.000 1.026 537 Q CA -0.358 55.533 55.803 0.148 0.000 0.831 537 Q CB 2.507 31.142 28.738 -0.171 0.000 1.322 537 Q HN 0.697 nan 8.270 nan 0.000 0.419 538 Y N -0.490 119.855 120.300 0.075 0.000 2.656 538 Y HA 0.781 5.340 4.550 0.016 0.000 0.334 538 Y C -0.943 175.134 175.900 0.295 0.000 1.179 538 Y CA -0.873 57.269 58.100 0.069 0.000 1.050 538 Y CB 0.529 38.862 38.460 -0.212 0.000 1.308 538 Y HN 0.953 nan 8.280 nan 0.000 0.456 539 A N 1.554 124.468 122.820 0.157 0.000 2.439 539 A HA 0.060 4.388 4.320 0.014 0.000 0.686 539 A C -1.207 176.598 177.584 0.368 0.000 0.142 539 A CA 0.700 52.828 52.037 0.151 0.000 0.040 539 A CB -1.465 17.534 19.000 -0.001 0.000 3.973 539 A HN 1.798 nan 8.150 nan 0.000 0.548 540 H N 1.361 120.540 119.070 0.182 0.000 3.177 540 H HA 0.539 5.104 4.556 0.014 0.000 0.314 540 H C 0.095 175.469 175.328 0.076 0.000 1.059 540 H CA 0.246 56.443 56.048 0.248 0.000 1.515 540 H CB 0.948 30.731 29.762 0.035 0.000 1.672 540 H HN 1.513 nan 8.280 nan 0.000 0.514 541 A N 6.400 129.110 122.820 -0.182 0.000 3.019 541 A HA 0.150 4.478 4.320 0.014 0.000 0.262 541 A C 0.606 177.976 177.584 -0.358 0.000 1.509 541 A CA -0.449 51.439 52.037 -0.248 0.000 1.159 541 A CB -0.668 18.189 19.000 -0.239 0.000 1.042 541 A HN 0.723 nan 8.150 nan 0.000 0.641 542 M N 1.587 120.989 119.600 -0.330 0.000 2.108 542 M HA 0.459 4.947 4.480 0.014 0.000 0.347 542 M C 0.984 177.042 176.300 -0.404 0.000 1.326 542 M CA 1.167 56.267 55.300 -0.333 0.000 1.126 542 M CB -0.086 32.418 32.600 -0.161 0.000 1.606 542 M HN 0.844 nan 8.290 nan 0.000 0.462 543 G N 4.329 112.813 108.800 -0.527 0.000 2.574 543 G HA2 -0.349 3.619 3.960 0.014 0.000 0.286 543 G HA3 -0.349 3.619 3.960 0.014 0.000 0.286 543 G C -0.228 174.035 174.900 -1.061 0.000 1.212 543 G CA 0.135 44.770 45.100 -0.775 0.000 0.979 543 G HN 0.837 nan 8.290 nan 0.000 0.557 544 N N 1.208 119.191 118.700 -1.194 0.000 2.448 544 N HA 0.526 5.275 4.740 0.014 0.000 0.250 544 N C -0.029 175.179 175.510 -0.504 0.000 1.136 544 N CA 1.040 53.551 53.050 -0.898 0.000 0.953 544 N CB 0.630 38.632 38.487 -0.810 0.000 1.251 544 N HN 0.851 nan 8.380 nan 0.000 0.502 545 S N 2.269 117.750 115.700 -0.366 0.000 2.973 545 S HA 0.606 5.085 4.470 0.014 0.000 0.317 545 S C -0.206 174.292 174.600 -0.170 0.000 1.196 545 S CA -0.345 57.708 58.200 -0.246 0.000 0.894 545 S CB 0.075 63.138 63.200 -0.229 0.000 1.292 545 S HN 0.381 nan 8.310 nan 0.000 0.614 546 L N 0.067 121.230 121.223 -0.099 0.000 4.793 546 L HA -0.056 4.292 4.340 0.014 0.000 0.404 546 L C 0.568 177.465 176.870 0.045 0.000 1.022 546 L CA 0.914 55.728 54.840 -0.044 0.000 1.242 546 L CB -1.768 40.178 42.059 -0.188 0.000 2.049 546 L HN 0.754 nan 8.230 nan 0.000 0.637 547 G N -0.856 107.937 108.800 -0.011 0.000 2.380 547 G HA2 0.461 4.429 3.960 0.014 0.000 0.242 547 G HA3 0.461 4.429 3.960 0.014 0.000 0.242 547 G C 1.253 176.190 174.900 0.061 0.000 1.298 547 G CA 0.182 45.260 45.100 -0.036 0.000 0.878 547 G HN 1.377 nan 8.290 nan 0.000 0.542 548 G N 1.540 110.365 108.800 0.042 0.000 2.176 548 G HA2 -0.322 3.647 3.960 0.014 0.000 0.253 548 G HA3 -0.322 3.647 3.960 0.014 0.000 0.253 548 G C 1.065 176.150 174.900 0.309 0.000 0.979 548 G CA 0.801 45.986 45.100 0.141 0.000 0.641 548 G HN 0.766 nan 8.290 nan 0.000 0.530 549 F N 2.010 122.080 119.950 0.199 0.000 2.126 549 F HA 0.126 4.662 4.527 0.015 0.000 0.299 549 F C 2.733 178.746 175.800 0.355 0.000 1.096 549 F CA 2.538 60.733 58.000 0.324 0.000 1.255 549 F CB -0.514 38.615 39.000 0.215 0.000 0.997 549 F HN 0.357 nan 8.300 nan 0.000 0.479 550 A N -0.424 122.567 122.820 0.285 0.000 2.024 550 A HA -0.256 4.072 4.320 0.014 0.000 0.220 550 A C 2.282 179.886 177.584 0.033 0.000 1.164 550 A CA 1.810 53.942 52.037 0.158 0.000 0.643 550 A CB -0.832 18.265 19.000 0.161 0.000 0.806 550 A HN 0.465 nan 8.150 nan 0.000 0.451 551 K N -1.759 118.639 120.400 -0.003 0.000 2.148 551 K HA -0.157 4.172 4.320 0.014 0.000 0.204 551 K C 1.656 178.022 176.600 -0.390 0.000 1.050 551 K CA 1.441 57.639 56.287 -0.147 0.000 0.942 551 K CB -0.280 32.136 32.500 -0.139 0.000 0.724 551 K HN 0.558 nan 8.250 nan 0.000 0.446 552 Y N -0.797 119.218 120.300 -0.475 0.000 2.163 552 Y HA -0.214 4.344 4.550 0.013 0.000 0.288 552 Y C 1.929 176.873 175.900 -1.594 0.000 1.136 552 Y CA 1.550 59.014 58.100 -1.061 0.000 1.147 552 Y CB -0.382 37.445 38.460 -1.055 0.000 0.987 552 Y HN 0.154 nan 8.280 nan 0.000 0.509 553 W N 0.117 120.995 121.300 -0.704 0.000 2.363 553 W HA -0.211 4.459 4.660 0.016 0.000 0.296 553 W C 2.626 178.973 176.519 -0.286 0.000 1.212 553 W CA 1.617 58.686 57.345 -0.460 0.000 1.260 553 W CB -0.642 28.637 29.460 -0.300 0.000 1.131 553 W HN 0.054 nan 8.180 nan 0.000 0.530 554 Q N 0.744 120.452 119.800 -0.155 0.000 2.124 554 Q HA -0.172 4.177 4.340 0.014 0.000 0.202 554 Q C 2.169 178.103 176.000 -0.111 0.000 0.977 554 Q CA 2.077 57.830 55.803 -0.083 0.000 0.850 554 Q CB -0.577 28.129 28.738 -0.054 0.000 0.901 554 Q HN 0.278 nan 8.270 nan 0.000 0.429 555 A N 0.050 122.708 122.820 -0.269 0.000 1.898 555 A HA -0.116 4.212 4.320 0.014 0.000 0.216 555 A C 1.812 179.365 177.584 -0.052 0.000 1.181 555 A CA 1.108 53.024 52.037 -0.201 0.000 0.620 555 A CB -0.768 17.986 19.000 -0.409 0.000 0.819 555 A HN 0.361 nan 8.150 nan 0.000 0.442 556 F N 0.211 119.982 119.950 -0.298 0.000 2.161 556 F HA -0.102 4.434 4.527 0.014 0.000 0.300 556 F C 2.484 178.185 175.800 -0.165 0.000 1.089 556 F CA 1.207 59.005 58.000 -0.336 0.000 1.282 556 F CB -0.804 37.769 39.000 -0.713 0.000 1.010 556 F HN 0.173 nan 8.300 nan 0.000 0.485 557 R N -0.322 120.226 120.500 0.079 0.000 2.148 557 R HA -0.123 4.225 4.340 0.014 0.000 0.223 557 R C 2.134 178.465 176.300 0.052 0.000 1.088 557 R CA 0.952 57.087 56.100 0.058 0.000 0.985 557 R CB -0.360 29.970 30.300 0.051 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.356 119.501 119.800 0.095 0.000 2.187 558 Q HA -0.053 4.295 4.340 0.014 0.000 0.199 558 Q C -0.444 175.566 176.000 0.015 0.000 0.957 558 Q CA 0.912 56.758 55.803 0.072 0.000 0.857 558 Q CB 0.374 29.197 28.738 0.141 0.000 0.929 558 Q HN 0.182 nan 8.270 nan 0.000 0.453 559 Y N 0.289 120.571 120.300 -0.030 0.000 2.385 559 Y HA 0.250 4.807 4.550 0.012 0.000 0.341 559 Y C -1.773 174.104 175.900 -0.038 0.000 0.965 559 Y CA -2.747 55.336 58.100 -0.028 0.000 1.180 559 Y CB 1.384 39.832 38.460 -0.019 0.000 1.139 559 Y HN 0.141 nan 8.280 nan 0.000 0.502 560 P HA -0.202 nan 4.420 nan 0.000 0.216 560 P C 1.108 178.412 177.300 0.008 0.000 1.157 560 P CA 1.962 65.062 63.100 0.000 0.000 0.880 560 P CB 0.293 31.977 31.700 -0.026 0.000 0.791 561 R N -1.193 119.331 120.500 0.040 0.000 2.316 561 R HA 0.074 4.422 4.340 0.014 0.000 0.202 561 R C 0.446 176.737 176.300 -0.014 0.000 1.029 561 R CA 0.161 56.269 56.100 0.014 0.000 1.018 561 R CB -0.542 29.775 30.300 0.029 0.000 0.888 561 R HN 0.251 nan 8.270 nan 0.000 0.471 562 L N 1.853 123.089 121.223 0.022 0.000 2.312 562 L HA 0.130 4.479 4.340 0.014 0.000 0.287 562 L C 0.584 177.322 176.870 -0.219 0.000 1.091 562 L CA 0.151 54.953 54.840 -0.064 0.000 0.846 562 L CB 1.111 43.213 42.059 0.070 0.000 1.219 562 L HN 0.071 nan 8.230 nan 0.000 0.439 563 Q N 2.909 122.503 119.800 -0.343 0.000 2.201 563 Q HA 0.317 4.665 4.340 0.014 0.000 0.236 563 Q C 0.779 176.379 176.000 -0.667 0.000 0.857 563 Q CA 0.067 55.637 55.803 -0.389 0.000 1.025 563 Q CB 1.073 29.670 28.738 -0.235 0.000 1.124 563 Q HN 0.966 nan 8.270 nan 0.000 0.473 564 G N -0.357 107.659 108.800 -1.306 0.000 2.416 564 G HA2 0.103 4.072 3.960 0.014 0.000 0.203 564 G HA3 0.103 4.072 3.960 0.014 0.000 0.203 564 G C -0.320 173.727 174.900 -1.422 0.000 1.227 564 G CA -0.728 43.233 45.100 -1.897 0.000 1.041 564 G HN 0.561 nan 8.290 nan 0.000 0.546 565 G N -2.172 106.106 108.800 -0.871 0.000 2.349 565 G HA2 0.643 4.612 3.960 0.014 0.000 0.294 565 G HA3 0.643 4.612 3.960 0.014 0.000 0.294 565 G C -1.868 172.976 174.900 -0.093 0.000 1.380 565 G CA -0.313 44.511 45.100 -0.461 0.000 0.811 565 G HN 1.126 nan 8.290 nan 0.000 0.519 566 F N 0.636 120.845 119.950 0.432 0.000 2.427 566 F HA 0.521 5.055 4.527 0.013 0.000 0.348 566 F C 0.773 176.880 175.800 0.511 0.000 1.125 566 F CA -0.747 57.531 58.000 0.463 0.000 0.989 566 F CB 2.104 41.271 39.000 0.279 0.000 1.165 566 F HN 0.253 nan 8.300 nan 0.000 0.442 567 V N 3.390 123.607 119.914 0.506 0.000 2.872 567 V HA -0.144 3.985 4.120 0.014 0.000 0.307 567 V C -0.218 176.027 176.094 0.252 0.000 1.072 567 V CA -0.245 62.139 62.300 0.141 0.000 1.148 567 V CB 0.756 32.684 31.823 0.175 0.000 0.954 567 V HN 0.759 nan 8.190 nan 0.000 0.490 568 W N 6.395 127.769 121.300 0.123 0.000 2.278 568 W HA 0.445 5.113 4.660 0.013 0.000 0.317 568 W C -0.807 175.733 176.519 0.036 0.000 1.030 568 W CA -0.639 56.816 57.345 0.185 0.000 1.334 568 W CB 1.322 31.041 29.460 0.432 0.000 1.215 568 W HN 0.917 nan 8.180 nan 0.000 0.405 569 D N 2.883 122.958 120.400 -0.543 0.000 2.812 569 D HA 0.102 4.750 4.640 0.014 0.000 0.318 569 D C 0.637 176.740 176.300 -0.328 0.000 1.234 569 D CA -0.560 53.029 54.000 -0.685 0.000 0.989 569 D CB 0.175 40.016 40.800 -1.597 0.000 1.442 569 D HN 0.424 nan 8.370 nan 0.000 0.537 570 W N 0.435 121.470 121.300 -0.441 0.000 2.413 570 W HA 0.163 4.832 4.660 0.014 0.000 0.315 570 W C -0.229 176.142 176.519 -0.247 0.000 1.186 570 W CA 1.014 58.161 57.345 -0.330 0.000 1.326 570 W CB 0.371 29.647 29.460 -0.307 0.000 1.153 570 W HN 0.149 nan 8.180 nan 0.000 0.489 571 V N 2.825 122.536 119.914 -0.338 0.000 2.638 571 V HA 0.236 4.364 4.120 0.014 0.000 0.306 571 V C -0.958 174.993 176.094 -0.238 0.000 1.052 571 V CA -0.790 61.282 62.300 -0.380 0.000 0.885 571 V CB 1.508 33.208 31.823 -0.205 0.000 0.999 571 V HN -0.110 nan 8.190 nan 0.000 0.424 572 D N 4.201 124.472 120.400 -0.216 0.000 2.488 572 D HA 0.109 4.758 4.640 0.014 0.000 0.238 572 D C 0.335 176.494 176.300 -0.236 0.000 1.138 572 D CA 0.612 54.513 54.000 -0.165 0.000 0.873 572 D CB 0.922 41.695 40.800 -0.045 0.000 1.183 572 D HN 0.613 nan 8.370 nan 0.000 0.458 573 Q N 1.108 120.693 119.800 -0.359 0.000 3.122 573 Q HA 0.131 4.479 4.340 0.014 0.000 0.360 573 Q C -0.064 175.874 176.000 -0.103 0.000 1.300 573 Q CA -0.335 55.013 55.803 -0.758 0.000 0.982 573 Q CB 0.044 28.460 28.738 -0.536 0.000 1.534 573 Q HN 0.369 nan 8.270 nan 0.000 0.474 574 S N -0.295 115.451 115.700 0.076 0.000 2.646 574 S HA 0.630 5.109 4.470 0.014 0.000 0.276 574 S C -0.101 174.668 174.600 0.282 0.000 1.222 574 S CA -0.773 57.594 58.200 0.280 0.000 1.014 574 S CB 1.436 64.788 63.200 0.253 0.000 0.991 574 S HN 0.328 nan 8.310 nan 0.000 0.533 575 L N 1.457 122.778 121.223 0.162 0.000 2.342 575 L HA 0.531 4.879 4.340 0.014 0.000 0.271 575 L C -0.507 176.280 176.870 -0.137 0.000 1.008 575 L CA -1.194 53.623 54.840 -0.039 0.000 0.818 575 L CB 1.500 43.409 42.059 -0.250 0.000 1.296 575 L HN 0.550 nan 8.230 nan 0.000 0.427 576 I N 2.286 122.715 120.570 -0.235 0.000 2.395 576 I HA 0.288 4.466 4.170 0.014 0.000 0.289 576 I C 0.168 175.879 176.117 -0.676 0.000 1.023 576 I CA -0.054 60.973 61.300 -0.455 0.000 1.350 576 I CB 1.170 38.915 38.000 -0.425 0.000 1.409 576 I HN 0.579 nan 8.210 nan 0.000 0.507 577 K N 5.054 124.773 120.400 -1.135 0.000 2.352 577 K HA 0.563 4.891 4.320 0.014 0.000 0.240 577 K C -1.521 174.232 176.600 -1.411 0.000 1.017 577 K CA -0.698 54.838 56.287 -1.252 0.000 0.851 577 K CB 2.165 33.616 32.500 -1.748 0.000 1.261 577 K HN 0.240 nan 8.250 nan 0.000 0.451 578 Y N 0.784 120.819 120.300 -0.441 0.000 2.393 578 Y HA 0.130 4.688 4.550 0.014 0.000 0.341 578 Y C 0.185 176.159 175.900 0.123 0.000 0.988 578 Y CA -1.024 57.001 58.100 -0.125 0.000 1.078 578 Y CB 1.293 39.706 38.460 -0.077 0.000 1.203 578 Y HN 0.680 nan 8.280 nan 0.000 0.453 579 D N 0.277 120.919 120.400 0.403 0.000 2.447 579 D HA 0.042 4.691 4.640 0.014 0.000 0.265 579 D C 0.702 177.117 176.300 0.191 0.000 1.250 579 D CA -0.282 53.913 54.000 0.326 0.000 1.046 579 D CB 0.641 41.579 40.800 0.230 0.000 1.095 579 D HN 0.550 nan 8.370 nan 0.000 0.555 580 E N -0.667 119.607 120.200 0.122 0.000 2.204 580 E HA -0.144 4.215 4.350 0.014 0.000 0.195 580 E C 1.177 177.816 176.600 0.066 0.000 0.990 580 E CA 0.741 57.188 56.400 0.077 0.000 0.821 580 E CB -0.199 29.530 29.700 0.047 0.000 0.750 580 E HN 0.418 nan 8.360 nan 0.000 0.477 581 N N 0.013 118.760 118.700 0.079 0.000 2.512 581 N HA -0.066 4.683 4.740 0.014 0.000 0.183 581 N C 1.264 176.821 175.510 0.078 0.000 1.073 581 N CA 1.084 54.174 53.050 0.067 0.000 0.911 581 N CB 0.333 38.862 38.487 0.071 0.000 0.964 581 N HN 0.306 nan 8.380 nan 0.000 0.447 582 G N 0.449 109.320 108.800 0.118 0.000 2.136 582 G HA2 -0.244 3.724 3.960 0.014 0.000 0.242 582 G HA3 -0.244 3.724 3.960 0.014 0.000 0.242 582 G C -0.255 174.783 174.900 0.229 0.000 0.989 582 G CA -0.322 44.853 45.100 0.126 0.000 0.682 582 G HN 0.270 nan 8.290 nan 0.000 0.522 583 N N 1.454 120.293 118.700 0.232 0.000 2.456 583 N HA 0.491 5.240 4.740 0.014 0.000 0.288 583 N C -2.490 173.169 175.510 0.248 0.000 1.059 583 N CA -1.199 51.983 53.050 0.220 0.000 0.946 583 N CB 2.082 40.660 38.487 0.152 0.000 1.150 583 N HN 0.157 nan 8.380 nan 0.000 0.479 584 P HA 0.297 nan 4.420 nan 0.000 0.277 584 P C -0.575 176.704 177.300 -0.034 0.000 1.240 584 P CA -0.338 62.655 63.100 -0.178 0.000 0.798 584 P CB 0.823 32.418 31.700 -0.175 0.000 0.979 585 W N -0.749 120.315 121.300 -0.394 0.000 3.118 585 W HA 0.440 5.109 4.660 0.014 0.000 0.328 585 W C -1.571 174.768 176.519 -0.299 0.000 1.239 585 W CA -1.047 56.075 57.345 -0.373 0.000 1.176 585 W CB 0.480 29.498 29.460 -0.737 0.000 1.433 585 W HN 0.108 nan 8.180 nan 0.000 0.562 586 S N 1.532 117.329 115.700 0.161 0.000 2.465 586 S HA 0.605 5.084 4.470 0.014 0.000 0.279 586 S C 0.096 174.884 174.600 0.314 0.000 1.201 586 S CA -0.291 57.993 58.200 0.140 0.000 1.053 586 S CB 0.998 64.329 63.200 0.219 0.000 0.953 586 S HN 0.604 nan 8.310 nan 0.000 0.488 587 A N 2.984 125.860 122.820 0.093 0.000 2.340 587 A HA 0.866 5.195 4.320 0.014 0.000 0.331 587 A C -0.690 177.147 177.584 0.423 0.000 1.140 587 A CA -0.734 51.389 52.037 0.143 0.000 0.801 587 A CB 0.633 19.418 19.000 -0.359 0.000 1.234 587 A HN 0.836 nan 8.150 nan 0.000 0.469 588 Y N -0.219 120.399 120.300 0.531 0.000 3.013 588 Y HA 0.794 5.352 4.550 0.014 0.000 0.310 588 Y C 0.698 176.952 175.900 0.590 0.000 1.450 588 Y CA -1.401 57.005 58.100 0.509 0.000 1.091 588 Y CB -0.141 38.449 38.460 0.216 0.000 1.373 588 Y HN 0.848 nan 8.280 nan 0.000 0.590 589 G N -0.429 108.788 108.800 0.694 0.000 2.353 589 G HA2 0.384 4.353 3.960 0.014 0.000 0.239 589 G HA3 0.384 4.353 3.960 0.014 0.000 0.239 589 G C 0.910 176.130 174.900 0.534 0.000 1.295 589 G CA 0.279 45.701 45.100 0.537 0.000 0.884 589 G HN 1.936 nan 8.290 nan 0.000 0.537 590 G N 1.997 111.073 108.800 0.460 0.000 2.241 590 G HA2 -0.274 3.694 3.960 0.014 0.000 0.244 590 G HA3 -0.274 3.694 3.960 0.014 0.000 0.244 590 G C 0.887 175.969 174.900 0.303 0.000 0.998 590 G CA 0.629 45.937 45.100 0.346 0.000 0.621 590 G HN 0.634 nan 8.290 nan 0.000 0.519 591 D N -0.194 120.390 120.400 0.308 0.000 2.378 591 D HA 0.156 4.804 4.640 0.014 0.000 0.227 591 D C 1.162 177.314 176.300 -0.247 0.000 1.012 591 D CA 0.501 54.518 54.000 0.028 0.000 0.905 591 D CB -0.189 40.567 40.800 -0.074 0.000 0.895 591 D HN 0.483 nan 8.370 nan 0.000 0.532 592 F N -0.986 119.088 119.950 0.207 0.000 2.698 592 F HA 0.305 4.840 4.527 0.014 0.000 0.304 592 F C 1.763 177.648 175.800 0.143 0.000 1.108 592 F CA -0.228 57.855 58.000 0.137 0.000 1.263 592 F CB 0.860 39.936 39.000 0.127 0.000 1.013 592 F HN -0.051 nan 8.300 nan 0.000 0.532 593 G N 0.334 109.285 108.800 0.253 0.000 2.179 593 G HA2 -0.274 3.695 3.960 0.014 0.000 0.260 593 G HA3 -0.274 3.695 3.960 0.014 0.000 0.260 593 G C -0.191 174.842 174.900 0.221 0.000 0.977 593 G CA 0.145 45.366 45.100 0.201 0.000 0.641 593 G HN 0.394 nan 8.290 nan 0.000 0.533 594 D N 0.543 121.121 120.400 0.296 0.000 2.425 594 D HA 0.500 5.148 4.640 0.014 0.000 0.247 594 D C 0.126 176.538 176.300 0.187 0.000 1.147 594 D CA 0.936 55.095 54.000 0.264 0.000 0.879 594 D CB 1.632 42.645 40.800 0.355 0.000 1.179 594 D HN 0.379 nan 8.370 nan 0.000 0.456 595 T N 1.067 115.702 114.554 0.135 0.000 3.159 595 T HA 0.418 4.777 4.350 0.014 0.000 0.343 595 T C -2.810 171.921 174.700 0.050 0.000 1.364 595 T CA -1.171 60.980 62.100 0.085 0.000 1.102 595 T CB 1.094 70.015 68.868 0.088 0.000 1.263 595 T HN 0.218 nan 8.240 nan 0.000 0.477 596 P HA 0.484 nan 4.420 nan 0.000 0.272 596 P C -0.926 176.356 177.300 -0.031 0.000 1.230 596 P CA -0.322 62.771 63.100 -0.012 0.000 0.788 596 P CB 0.364 32.034 31.700 -0.051 0.000 0.949 597 N N -1.547 117.133 118.700 -0.033 0.000 2.647 597 N HA 0.314 5.063 4.740 0.014 0.000 0.266 597 N C -1.071 174.374 175.510 -0.107 0.000 1.373 597 N CA -0.782 52.222 53.050 -0.076 0.000 0.807 597 N CB 0.959 39.490 38.487 0.073 0.000 1.513 597 N HN 0.090 nan 8.380 nan 0.000 0.505 598 D N -0.246 120.033 120.400 -0.201 0.000 2.643 598 D HA 0.136 4.785 4.640 0.014 0.000 0.244 598 D C 0.397 176.879 176.300 0.304 0.000 1.257 598 D CA -0.132 53.834 54.000 -0.057 0.000 0.831 598 D CB 0.175 40.801 40.800 -0.290 0.000 1.043 598 D HN 0.721 nan 8.370 nan 0.000 0.488 599 R N 0.770 121.444 120.500 0.291 0.000 3.682 599 R HA -0.313 4.036 4.340 0.014 0.000 0.519 599 R C 0.973 177.293 176.300 0.033 0.000 0.241 599 R CA 1.449 57.715 56.100 0.278 0.000 1.619 599 R CB -1.576 28.802 30.300 0.130 0.000 0.923 599 R HN 0.137 nan 8.270 nan 0.000 0.598 600 Q N 1.440 120.923 119.800 -0.529 0.000 2.373 600 Q HA 0.039 4.387 4.340 0.014 0.000 0.206 600 Q C 1.414 177.138 176.000 -0.460 0.000 0.942 600 Q CA 0.984 56.306 55.803 -0.802 0.000 0.953 600 Q CB 0.095 28.123 28.738 -1.182 0.000 1.022 600 Q HN 0.590 nan 8.270 nan 0.000 0.502 601 F N 1.475 121.351 119.950 -0.123 0.000 2.546 601 F HA -0.104 4.431 4.527 0.014 0.000 0.298 601 F C 2.152 177.897 175.800 -0.091 0.000 1.120 601 F CA 0.908 58.912 58.000 0.007 0.000 1.456 601 F CB -0.162 38.910 39.000 0.121 0.000 1.088 601 F HN 0.415 nan 8.300 nan 0.000 0.572 602 C N -1.359 117.660 119.300 -0.469 0.000 2.522 602 C HA 0.176 4.645 4.460 0.014 0.000 0.271 602 C C 1.075 175.865 174.990 -0.333 0.000 1.425 602 C CA -0.436 58.126 59.018 -0.760 0.000 1.751 602 C CB -1.730 25.067 27.740 -1.571 0.000 1.775 602 C HN 0.191 nan 8.230 nan 0.000 0.557 603 M N 2.655 122.117 119.600 -0.230 0.000 2.060 603 M HA 0.271 4.759 4.480 0.014 0.000 0.342 603 M C -0.399 175.784 176.300 -0.195 0.000 1.031 603 M CA 0.342 55.536 55.300 -0.176 0.000 0.981 603 M CB 0.023 32.546 32.600 -0.129 0.000 1.376 603 M HN 0.383 nan 8.290 nan 0.000 0.397 604 N N 0.960 119.545 118.700 -0.191 0.000 2.305 604 N HA 0.192 4.940 4.740 0.014 0.000 0.248 604 N C 0.318 175.635 175.510 -0.321 0.000 1.290 604 N CA -0.553 52.337 53.050 -0.267 0.000 0.873 604 N CB 1.232 39.641 38.487 -0.130 0.000 1.261 604 N HN 0.644 nan 8.380 nan 0.000 0.504 605 G N 0.087 108.719 108.800 -0.281 0.000 2.448 605 G HA2 0.332 4.301 3.960 0.014 0.000 0.285 605 G HA3 0.332 4.301 3.960 0.014 0.000 0.285 605 G C 0.756 175.515 174.900 -0.235 0.000 1.176 605 G CA -0.528 44.391 45.100 -0.302 0.000 0.852 605 G HN 0.116 nan 8.290 nan 0.000 0.530 606 L N 0.292 121.320 121.223 -0.326 0.000 2.313 606 L HA 0.084 4.433 4.340 0.014 0.000 0.214 606 L C 0.953 177.608 176.870 -0.357 0.000 1.119 606 L CA 0.435 55.112 54.840 -0.271 0.000 0.809 606 L CB -0.346 41.540 42.059 -0.289 0.000 0.933 606 L HN 0.407 nan 8.230 nan 0.000 0.449 607 V N -4.990 114.539 119.914 -0.642 0.000 2.864 607 V HA 0.465 4.593 4.120 0.014 0.000 0.314 607 V C -0.083 175.600 176.094 -0.685 0.000 1.073 607 V CA -1.279 60.595 62.300 -0.711 0.000 0.956 607 V CB 1.510 32.875 31.823 -0.764 0.000 1.023 607 V HN -0.158 nan 8.190 nan 0.000 0.435 608 F N 1.751 121.292 119.950 -0.681 0.000 2.532 608 F HA 0.502 5.038 4.527 0.015 0.000 0.323 608 F C 1.946 177.586 175.800 -0.265 0.000 1.234 608 F CA 0.790 58.530 58.000 -0.433 0.000 1.323 608 F CB 0.585 39.357 39.000 -0.379 0.000 1.183 608 F HN 0.773 nan 8.300 nan 0.000 0.589 609 A N 0.624 123.485 122.820 0.069 0.000 2.024 609 A HA -0.204 4.124 4.320 0.014 0.000 0.220 609 A C 1.569 179.115 177.584 -0.063 0.000 1.164 609 A CA 1.832 53.887 52.037 0.030 0.000 0.643 609 A CB -0.983 18.079 19.000 0.103 0.000 0.806 609 A HN 0.771 nan 8.150 nan 0.000 0.451 610 D N -3.063 117.303 120.400 -0.057 0.000 2.325 610 D HA 0.171 4.820 4.640 0.014 0.000 0.225 610 D C 0.634 176.889 176.300 -0.075 0.000 1.096 610 D CA -0.055 53.883 54.000 -0.103 0.000 0.844 610 D CB -0.030 40.710 40.800 -0.100 0.000 0.925 610 D HN 0.206 nan 8.370 nan 0.000 0.513 611 R N -1.903 118.552 120.500 -0.075 0.000 3.728 611 R HA -0.116 4.233 4.340 0.014 0.000 0.478 611 R C -0.256 176.004 176.300 -0.066 0.000 0.932 611 R CA 1.079 57.134 56.100 -0.074 0.000 1.317 611 R CB -3.183 27.123 30.300 0.009 0.000 1.987 611 R HN 0.238 nan 8.270 nan 0.000 0.509 612 T N 2.589 117.118 114.554 -0.040 0.000 2.901 612 T HA 0.360 4.718 4.350 0.014 0.000 0.301 612 T C -2.316 172.375 174.700 -0.014 0.000 1.012 612 T CA -0.801 61.289 62.100 -0.017 0.000 1.135 612 T CB 1.034 69.869 68.868 -0.056 0.000 0.936 612 T HN -0.107 nan 8.240 nan 0.000 0.539 613 P HA 0.250 nan 4.420 nan 0.000 0.275 613 P C -0.365 176.859 177.300 -0.128 0.000 1.228 613 P CA -0.276 62.749 63.100 -0.126 0.000 0.786 613 P CB 0.438 32.111 31.700 -0.045 0.000 0.927 614 H N 2.503 121.438 119.070 -0.224 0.000 2.508 614 H HA 0.157 4.721 4.556 0.014 0.000 0.358 614 H C -1.197 174.049 175.328 -0.137 0.000 1.212 614 H CA -1.423 54.463 56.048 -0.271 0.000 1.356 614 H CB 0.051 29.598 29.762 -0.358 0.000 1.525 614 H HN 0.353 nan 8.280 nan 0.000 0.578 615 P HA -0.166 nan 4.420 nan 0.000 0.218 615 P C 0.972 178.278 177.300 0.010 0.000 1.149 615 P CA 1.571 64.678 63.100 0.012 0.000 0.817 615 P CB 0.019 31.732 31.700 0.021 0.000 0.785 616 A N -0.530 122.288 122.820 -0.003 0.000 2.076 616 A HA -0.179 4.149 4.320 0.014 0.000 0.220 616 A C 2.065 179.607 177.584 -0.069 0.000 1.160 616 A CA 1.172 53.168 52.037 -0.069 0.000 0.653 616 A CB -1.586 17.328 19.000 -0.144 0.000 0.801 616 A HN 0.166 nan 8.150 nan 0.000 0.455 617 L N -0.058 121.152 121.223 -0.021 0.000 2.079 617 L HA -0.145 4.203 4.340 0.014 0.000 0.210 617 L C 2.398 179.324 176.870 0.093 0.000 1.081 617 L CA 2.751 57.615 54.840 0.040 0.000 0.752 617 L CB -0.834 41.251 42.059 0.043 0.000 0.896 617 L HN 0.387 nan 8.230 nan 0.000 0.433 618 T N -1.419 113.193 114.554 0.096 0.000 2.867 618 T HA -0.158 4.200 4.350 0.014 0.000 0.268 618 T C 1.700 176.520 174.700 0.201 0.000 1.057 618 T CA 1.235 63.450 62.100 0.192 0.000 1.136 618 T CB -0.156 68.804 68.868 0.153 0.000 0.874 618 T HN 0.327 nan 8.240 nan 0.000 0.466 619 E N 1.633 121.890 120.200 0.095 0.000 2.077 619 E HA -0.029 4.330 4.350 0.014 0.000 0.193 619 E C 2.246 178.869 176.600 0.039 0.000 0.989 619 E CA 1.260 57.716 56.400 0.094 0.000 0.800 619 E CB -0.497 29.220 29.700 0.028 0.000 0.746 619 E HN 0.455 nan 8.360 nan 0.000 0.452 620 A N 0.930 123.672 122.820 -0.130 0.000 1.873 620 A HA -0.203 4.126 4.320 0.014 0.000 0.215 620 A C 2.157 179.646 177.584 -0.158 0.000 1.186 620 A CA 1.855 53.772 52.037 -0.200 0.000 0.616 620 A CB -0.621 18.263 19.000 -0.193 0.000 0.823 620 A HN 0.257 nan 8.150 nan 0.000 0.442 621 K N -1.135 119.242 120.400 -0.038 0.000 2.063 621 K HA -0.300 4.028 4.320 0.014 0.000 0.208 621 K C 2.043 178.544 176.600 -0.165 0.000 1.048 621 K CA 2.084 58.349 56.287 -0.036 0.000 0.928 621 K CB -0.362 32.272 32.500 0.224 0.000 0.713 621 K HN 0.641 nan 8.250 nan 0.000 0.442 622 H N 0.348 119.246 119.070 -0.286 0.000 2.357 622 H HA -0.027 4.538 4.556 0.015 0.000 0.301 622 H C 1.945 177.003 175.328 -0.449 0.000 1.082 622 H CA 1.800 57.481 56.048 -0.612 0.000 1.342 622 H CB 0.104 29.547 29.762 -0.532 0.000 1.389 622 H HN 0.246 nan 8.280 nan 0.000 0.511 623 Q N 0.177 119.744 119.800 -0.388 0.000 2.230 623 Q HA -0.068 4.280 4.340 0.014 0.000 0.202 623 Q C 1.418 176.904 176.000 -0.857 0.000 0.963 623 Q CA 1.063 56.564 55.803 -0.503 0.000 0.866 623 Q CB 0.110 28.716 28.738 -0.221 0.000 0.931 623 Q HN 0.704 nan 8.270 nan 0.000 0.452 624 Q N 0.243 119.481 119.800 -0.938 0.000 2.247 624 Q HA 0.083 4.432 4.340 0.014 0.000 0.205 624 Q C -0.106 175.338 176.000 -0.926 0.000 0.896 624 Q CA -0.212 54.858 55.803 -1.220 0.000 0.950 624 Q CB 0.362 28.430 28.738 -1.117 0.000 1.054 624 Q HN 0.375 nan 8.270 nan 0.000 0.482 625 Q N -0.608 118.802 119.800 -0.649 0.000 2.479 625 Q HA -0.034 4.315 4.340 0.014 0.000 0.267 625 Q C -0.089 175.545 176.000 -0.609 0.000 1.071 625 Q CA 0.475 56.024 55.803 -0.424 0.000 0.935 625 Q CB 0.446 29.022 28.738 -0.270 0.000 1.295 625 Q HN 0.300 nan 8.270 nan 0.000 0.476 626 F N -0.311 119.411 119.950 -0.380 0.000 2.695 626 F HA 0.247 4.782 4.527 0.014 0.000 0.303 626 F C -0.281 174.930 175.800 -0.983 0.000 1.091 626 F CA -0.097 57.436 58.000 -0.777 0.000 1.300 626 F CB 0.638 38.876 39.000 -1.270 0.000 1.071 626 F HN 0.283 nan 8.300 nan 0.000 0.578 627 F N 0.524 120.380 119.950 -0.158 0.000 2.507 627 F HA 0.505 5.041 4.527 0.015 0.000 0.325 627 F C -0.079 175.346 175.800 -0.624 0.000 1.116 627 F CA -1.124 56.663 58.000 -0.355 0.000 0.930 627 F CB 1.231 40.023 39.000 -0.348 0.000 1.146 627 F HN -0.311 nan 8.300 nan 0.000 0.447 628 Q N 2.849 122.385 119.800 -0.440 0.000 2.301 628 Q HA 0.600 4.948 4.340 0.014 0.000 0.267 628 Q C -1.355 174.386 176.000 -0.431 0.000 1.035 628 Q CA -0.643 54.950 55.803 -0.349 0.000 0.856 628 Q CB 2.794 31.453 28.738 -0.131 0.000 1.337 628 Q HN 0.543 nan 8.270 nan 0.000 0.450 629 F N 0.503 120.575 119.950 0.204 0.000 2.576 629 F HA 0.590 5.126 4.527 0.015 0.000 0.313 629 F C 0.243 176.268 175.800 0.375 0.000 1.078 629 F CA -0.936 57.254 58.000 0.316 0.000 0.921 629 F CB 1.685 40.985 39.000 0.499 0.000 1.232 629 F HN 0.100 nan 8.300 nan 0.000 0.459 630 R N 1.712 122.508 120.500 0.494 0.000 2.725 630 R HA 0.689 5.037 4.340 0.014 0.000 0.277 630 R C -1.921 174.430 176.300 0.085 0.000 0.987 630 R CA -1.135 55.173 56.100 0.347 0.000 0.901 630 R CB 2.538 32.950 30.300 0.187 0.000 1.207 630 R HN 0.679 nan 8.270 nan 0.000 0.463 631 L N -0.032 121.115 121.223 -0.126 0.000 2.362 631 L HA 0.624 4.973 4.340 0.014 0.000 0.275 631 L C -0.866 175.859 176.870 -0.242 0.000 0.998 631 L CA 0.062 54.618 54.840 -0.472 0.000 0.820 631 L CB 2.217 43.583 42.059 -1.155 0.000 1.270 631 L HN 0.538 nan 8.230 nan 0.000 0.415 632 S N 3.498 119.075 115.700 -0.204 0.000 2.775 632 S HA 0.683 5.161 4.470 0.014 0.000 0.277 632 S C 0.278 174.796 174.600 -0.137 0.000 1.156 632 S CA 0.218 58.340 58.200 -0.129 0.000 1.081 632 S CB 0.364 63.520 63.200 -0.073 0.000 1.054 632 S HN 1.495 nan 8.310 nan 0.000 0.482 633 G N 4.580 113.300 108.800 -0.134 0.000 2.574 633 G HA2 -0.364 3.605 3.960 0.014 0.000 0.301 633 G HA3 -0.364 3.605 3.960 0.014 0.000 0.301 633 G C 0.519 175.321 174.900 -0.163 0.000 1.166 633 G CA 0.897 45.923 45.100 -0.124 0.000 0.971 633 G HN 0.996 nan 8.290 nan 0.000 0.542 634 Q N 0.140 119.848 119.800 -0.153 0.000 2.198 634 Q HA 0.481 4.830 4.340 0.014 0.000 0.209 634 Q C 0.213 176.085 176.000 -0.214 0.000 0.848 634 Q CA 0.851 56.539 55.803 -0.191 0.000 0.974 634 Q CB 0.335 28.975 28.738 -0.164 0.000 1.115 634 Q HN 0.524 nan 8.270 nan 0.000 0.494 635 T N 1.282 115.725 114.554 -0.186 0.000 2.795 635 T HA 0.521 4.880 4.350 0.014 0.000 0.282 635 T C -0.245 174.340 174.700 -0.192 0.000 0.980 635 T CA -0.514 61.487 62.100 -0.164 0.000 1.012 635 T CB 1.248 70.051 68.868 -0.107 0.000 0.936 635 T HN 0.198 nan 8.240 nan 0.000 0.457 636 I N 2.591 123.058 120.570 -0.172 0.000 2.336 636 I HA 0.293 4.471 4.170 0.014 0.000 0.292 636 I C 0.554 176.672 176.117 0.002 0.000 0.991 636 I CA -0.578 60.643 61.300 -0.131 0.000 1.227 636 I CB 1.303 39.237 38.000 -0.109 0.000 1.366 636 I HN 0.606 nan 8.210 nan 0.000 0.466 637 E N 6.594 126.831 120.200 0.062 0.000 2.134 637 E HA 0.416 4.775 4.350 0.014 0.000 0.278 637 E C -1.542 175.164 176.600 0.176 0.000 0.959 637 E CA -0.576 55.880 56.400 0.094 0.000 0.783 637 E CB 1.573 31.314 29.700 0.068 0.000 1.095 637 E HN 0.336 nan 8.360 nan 0.000 0.399 638 V N 4.228 124.230 119.914 0.146 0.000 2.398 638 V HA 0.315 4.444 4.120 0.014 0.000 0.286 638 V C -0.047 176.081 176.094 0.057 0.000 1.026 638 V CA -0.554 61.809 62.300 0.106 0.000 0.868 638 V CB 1.755 33.660 31.823 0.137 0.000 0.982 638 V HN 0.701 nan 8.190 nan 0.000 0.443 639 T N 3.248 117.800 114.554 -0.004 0.000 2.807 639 T HA 0.336 4.694 4.350 0.014 0.000 0.279 639 T C -0.035 174.675 174.700 0.018 0.000 0.993 639 T CA -0.264 61.842 62.100 0.012 0.000 0.970 639 T CB 1.556 70.411 68.868 -0.022 0.000 0.950 639 T HN 0.674 nan 8.240 nan 0.000 0.441 640 S N 1.811 117.536 115.700 0.040 0.000 2.513 640 S HA 0.203 4.681 4.470 0.014 0.000 0.276 640 S C 0.818 175.308 174.600 -0.183 0.000 1.254 640 S CA -0.526 57.636 58.200 -0.064 0.000 1.053 640 S CB 0.548 63.791 63.200 0.072 0.000 0.958 640 S HN 0.723 nan 8.310 nan 0.000 0.491 641 E N 2.980 122.962 120.200 -0.364 0.000 2.474 641 E HA 0.083 4.442 4.350 0.014 0.000 0.195 641 E C -0.683 175.747 176.600 -0.283 0.000 1.039 641 E CA -0.105 56.118 56.400 -0.294 0.000 0.881 641 E CB 0.252 29.751 29.700 -0.336 0.000 0.970 641 E HN 0.677 nan 8.360 nan 0.000 0.486 642 Y N 0.412 120.602 120.300 -0.184 0.000 2.457 642 Y HA -0.045 4.514 4.550 0.014 0.000 0.341 642 Y C 1.428 177.179 175.900 -0.248 0.000 1.240 642 Y CA 0.509 58.506 58.100 -0.173 0.000 1.437 642 Y CB 0.577 38.918 38.460 -0.198 0.000 1.328 642 Y HN -0.050 nan 8.280 nan 0.000 0.588 643 L N 0.600 121.672 121.223 -0.251 0.000 2.515 643 L HA 0.052 4.401 4.340 0.014 0.000 0.223 643 L C 0.600 177.032 176.870 -0.730 0.000 1.079 643 L CA 0.519 54.970 54.840 -0.649 0.000 0.857 643 L CB 0.034 41.325 42.059 -1.280 0.000 1.050 643 L HN 0.566 nan 8.230 nan 0.000 0.476 644 F N -0.641 119.337 119.950 0.047 0.000 2.658 644 F HA 0.208 4.743 4.527 0.013 0.000 0.293 644 F C 1.202 176.995 175.800 -0.012 0.000 0.986 644 F CA -0.749 57.249 58.000 -0.004 0.000 1.182 644 F CB 0.104 39.078 39.000 -0.042 0.000 0.965 644 F HN -0.146 nan 8.300 nan 0.000 0.659 645 R N 0.177 120.730 120.500 0.088 0.000 2.486 645 R HA 0.453 4.802 4.340 0.014 0.000 0.286 645 R C -0.838 175.464 176.300 0.003 0.000 0.999 645 R CA -0.624 55.468 56.100 -0.012 0.000 0.993 645 R CB 0.874 31.049 30.300 -0.207 0.000 1.084 645 R HN 0.087 nan 8.270 nan 0.000 0.487 646 H N 0.725 119.778 119.070 -0.028 0.000 2.546 646 H HA 0.091 4.656 4.556 0.014 0.000 0.365 646 H C -0.036 175.305 175.328 0.021 0.000 1.220 646 H CA 0.256 56.317 56.048 0.022 0.000 1.386 646 H CB 1.160 30.939 29.762 0.029 0.000 1.510 646 H HN 0.760 nan 8.280 nan 0.000 0.591 647 S N 1.831 117.395 115.700 -0.227 0.000 4.183 647 S HA -0.005 4.473 4.470 0.014 0.000 0.195 647 S C -0.019 174.681 174.600 0.165 0.000 1.421 647 S CA -0.302 57.936 58.200 0.063 0.000 0.920 647 S CB -0.668 62.599 63.200 0.112 0.000 1.525 647 S HN 0.706 nan 8.310 nan 0.000 0.447 648 D N 0.719 121.237 120.400 0.197 0.000 2.325 648 D HA 0.050 4.698 4.640 0.014 0.000 0.225 648 D C 0.260 176.623 176.300 0.106 0.000 1.096 648 D CA -0.216 53.895 54.000 0.183 0.000 0.844 648 D CB -0.344 40.542 40.800 0.143 0.000 0.925 648 D HN 0.491 nan 8.370 nan 0.000 0.513 649 N N 0.164 118.925 118.700 0.103 0.000 2.651 649 N HA 0.164 4.912 4.740 0.014 0.000 0.277 649 N C -1.621 173.955 175.510 0.111 0.000 1.787 649 N CA -0.189 52.913 53.050 0.087 0.000 0.818 649 N CB 0.329 38.857 38.487 0.067 0.000 1.316 649 N HN -0.073 nan 8.380 nan 0.000 0.503 650 E N -0.087 120.172 120.200 0.099 0.000 2.335 650 E HA 0.496 4.854 4.350 0.014 0.000 0.280 650 E C -1.845 174.795 176.600 0.066 0.000 0.918 650 E CA -0.657 55.792 56.400 0.082 0.000 0.765 650 E CB 2.321 32.025 29.700 0.006 0.000 1.218 650 E HN 0.217 nan 8.360 nan 0.000 0.425 651 L N 2.426 123.705 121.223 0.095 0.000 2.401 651 L HA 0.579 4.927 4.340 0.014 0.000 0.266 651 L C -1.871 175.101 176.870 0.171 0.000 0.991 651 L CA -0.767 54.140 54.840 0.111 0.000 0.818 651 L CB 1.751 43.892 42.059 0.137 0.000 1.321 651 L HN 0.595 nan 8.230 nan 0.000 0.413 652 L N 4.586 125.898 121.223 0.148 0.000 2.272 652 L HA 0.476 4.824 4.340 0.014 0.000 0.289 652 L C -1.173 175.843 176.870 0.243 0.000 1.032 652 L CA -0.300 54.673 54.840 0.221 0.000 0.810 652 L CB 0.736 42.914 42.059 0.198 0.000 1.205 652 L HN 0.786 nan 8.230 nan 0.000 0.422 653 H N 5.105 124.258 119.070 0.140 0.000 2.457 653 H HA 0.489 5.054 4.556 0.014 0.000 0.335 653 H C -0.519 174.917 175.328 0.181 0.000 1.115 653 H CA -0.223 55.876 56.048 0.085 0.000 1.219 653 H CB 1.129 30.893 29.762 0.003 0.000 1.471 653 H HN 0.546 nan 8.280 nan 0.000 0.491 654 W N 4.089 125.474 121.300 0.142 0.000 2.844 654 W HA 0.644 5.312 4.660 0.014 0.000 0.340 654 W C -1.655 174.922 176.519 0.097 0.000 1.093 654 W CA -1.320 56.092 57.345 0.112 0.000 1.212 654 W CB 0.961 30.465 29.460 0.075 0.000 1.422 654 W HN 0.513 nan 8.180 nan 0.000 0.515 655 M N 2.754 122.557 119.600 0.338 0.000 2.433 655 M HA 0.667 5.155 4.480 0.014 0.000 0.290 655 M C -1.900 174.603 176.300 0.339 0.000 1.173 655 M CA -1.123 54.260 55.300 0.138 0.000 0.905 655 M CB 2.083 34.691 32.600 0.013 0.000 1.692 655 M HN 0.080 nan 8.290 nan 0.000 0.462 656 V N 1.898 121.996 119.914 0.306 0.000 2.495 656 V HA 0.931 5.059 4.120 0.014 0.000 0.298 656 V C -0.405 175.801 176.094 0.187 0.000 1.031 656 V CA -0.395 62.082 62.300 0.296 0.000 0.871 656 V CB 1.670 33.692 31.823 0.332 0.000 0.988 656 V HN 1.028 nan 8.190 nan 0.000 0.432 657 A N 4.518 127.456 122.820 0.196 0.000 2.449 657 A HA 0.865 5.194 4.320 0.014 0.000 0.302 657 A C -1.387 176.310 177.584 0.188 0.000 1.048 657 A CA -0.621 51.499 52.037 0.139 0.000 0.708 657 A CB 1.663 20.708 19.000 0.076 0.000 1.274 657 A HN 0.835 nan 8.150 nan 0.000 0.410 658 L N 1.840 123.144 121.223 0.135 0.000 2.264 658 L HA 0.467 4.815 4.340 0.014 0.000 0.287 658 L C -0.524 176.443 176.870 0.162 0.000 1.039 658 L CA 0.254 55.184 54.840 0.150 0.000 0.829 658 L CB 0.099 42.215 42.059 0.096 0.000 1.211 658 L HN 0.752 nan 8.230 nan 0.000 0.427 659 D N 4.850 125.414 120.400 0.274 0.000 2.704 659 D HA -0.218 4.430 4.640 0.014 0.000 0.232 659 D C 1.165 177.531 176.300 0.110 0.000 1.183 659 D CA 1.419 55.593 54.000 0.289 0.000 0.647 659 D CB -1.062 39.865 40.800 0.211 0.000 1.013 659 D HN 1.161 nan 8.370 nan 0.000 0.415 660 G N -0.642 108.179 108.800 0.036 0.000 2.225 660 G HA2 -0.349 3.619 3.960 0.014 0.000 0.254 660 G HA3 -0.349 3.619 3.960 0.014 0.000 0.254 660 G C 0.159 174.987 174.900 -0.120 0.000 0.988 660 G CA 0.476 45.480 45.100 -0.161 0.000 0.625 660 G HN 0.519 nan 8.290 nan 0.000 0.527 661 K N 1.611 121.991 120.400 -0.033 0.000 2.263 661 K HA 0.509 4.838 4.320 0.014 0.000 0.272 661 K C -2.869 173.723 176.600 -0.013 0.000 1.033 661 K CA -2.061 54.206 56.287 -0.034 0.000 0.884 661 K CB 1.998 34.492 32.500 -0.010 0.000 1.107 661 K HN 0.016 nan 8.250 nan 0.000 0.460 662 P HA -0.030 nan 4.420 nan 0.000 0.264 662 P C -0.230 177.070 177.300 -0.001 0.000 1.193 662 P CA 0.005 63.090 63.100 -0.025 0.000 0.763 662 P CB 0.638 32.304 31.700 -0.056 0.000 0.810 663 L N 2.836 124.076 121.223 0.028 0.000 2.526 663 L HA 0.538 4.886 4.340 0.014 0.000 0.210 663 L C 0.544 177.442 176.870 0.046 0.000 1.048 663 L CA 0.734 55.601 54.840 0.046 0.000 0.852 663 L CB 0.217 42.325 42.059 0.082 0.000 1.128 663 L HN 0.471 nan 8.230 nan 0.000 0.482 664 A N -1.668 121.183 122.820 0.051 0.000 2.601 664 A HA 0.746 5.074 4.320 0.014 0.000 0.291 664 A C -1.176 176.282 177.584 -0.209 0.000 1.075 664 A CA 0.189 52.240 52.037 0.023 0.000 0.671 664 A CB 1.193 20.326 19.000 0.221 0.000 1.277 664 A HN 0.145 nan 8.150 nan 0.000 0.417 665 S N -1.016 114.297 115.700 -0.645 0.000 2.645 665 S HA 0.893 5.371 4.470 0.014 0.000 0.268 665 S C -0.323 173.384 174.600 -1.488 0.000 1.110 665 S CA 0.205 57.609 58.200 -1.327 0.000 0.823 665 S CB 0.719 63.556 63.200 -0.605 0.000 1.091 665 S HN 2.734 nan 8.310 nan 0.000 0.466 666 G N 0.001 107.702 108.800 -1.832 0.000 2.489 666 G HA2 0.639 4.607 3.960 0.014 0.000 0.305 666 G HA3 0.639 4.607 3.960 0.014 0.000 0.305 666 G C -2.036 172.479 174.900 -0.641 0.000 1.311 666 G CA -0.123 44.430 45.100 -0.912 0.000 0.813 666 G HN 1.260 nan 8.290 nan 0.000 0.480 667 E N -1.621 118.454 120.200 -0.208 0.000 2.356 667 E HA 0.697 5.055 4.350 0.014 0.000 0.275 667 E C -1.851 174.761 176.600 0.020 0.000 0.904 667 E CA -0.918 55.370 56.400 -0.188 0.000 0.757 667 E CB 2.652 32.025 29.700 -0.545 0.000 1.232 667 E HN 0.567 nan 8.360 nan 0.000 0.442 668 V N 2.473 122.419 119.914 0.053 0.000 2.808 668 V HA 0.469 4.598 4.120 0.014 0.000 0.308 668 V C -2.490 173.636 176.094 0.052 0.000 1.099 668 V CA -1.783 60.562 62.300 0.074 0.000 0.920 668 V CB 2.007 33.901 31.823 0.118 0.000 1.014 668 V HN 0.713 nan 8.190 nan 0.000 0.425 669 P HA 0.357 nan 4.420 nan 0.000 0.278 669 P C -0.910 176.423 177.300 0.055 0.000 1.238 669 P CA -0.254 62.876 63.100 0.049 0.000 0.794 669 P CB 0.991 32.722 31.700 0.051 0.000 0.955 670 L N 2.385 123.634 121.223 0.044 0.000 2.289 670 L HA 0.345 4.693 4.340 0.014 0.000 0.285 670 L C 0.291 177.192 176.870 0.053 0.000 1.049 670 L CA 0.006 54.858 54.840 0.021 0.000 0.804 670 L CB 0.997 43.014 42.059 -0.070 0.000 1.195 670 L HN 0.365 nan 8.230 nan 0.000 0.428 671 D N 3.231 123.671 120.400 0.066 0.000 2.468 671 D HA 0.249 4.898 4.640 0.014 0.000 0.272 671 D C -1.418 174.895 176.300 0.022 0.000 1.221 671 D CA -0.106 53.986 54.000 0.152 0.000 0.860 671 D CB 1.252 42.178 40.800 0.209 0.000 1.190 671 D HN 0.099 nan 8.370 nan 0.000 0.509 672 V N 1.963 121.731 119.914 -0.243 0.000 2.448 672 V HA 0.867 4.996 4.120 0.014 0.000 0.295 672 V C 0.055 175.893 176.094 -0.427 0.000 1.025 672 V CA -0.439 61.757 62.300 -0.173 0.000 0.859 672 V CB 1.253 33.094 31.823 0.030 0.000 0.988 672 V HN 0.549 nan 8.190 nan 0.000 0.431 673 A N 8.878 131.614 122.820 -0.140 0.000 2.346 673 A HA 0.680 5.008 4.320 0.014 0.000 0.252 673 A C -2.396 175.193 177.584 0.008 0.000 1.089 673 A CA -1.298 50.741 52.037 0.004 0.000 0.797 673 A CB -0.140 18.938 19.000 0.130 0.000 1.047 673 A HN 0.764 nan 8.150 nan 0.000 0.494 674 P HA 0.017 nan 4.420 nan 0.000 0.264 674 P C -0.509 176.787 177.300 -0.007 0.000 1.193 674 P CA 0.580 63.693 63.100 0.021 0.000 0.763 674 P CB 0.659 32.355 31.700 -0.005 0.000 0.810 675 Q N -0.944 118.839 119.800 -0.028 0.000 2.362 675 Q HA -0.169 4.179 4.340 0.014 0.000 0.220 675 Q C 0.794 176.789 176.000 -0.008 0.000 0.713 675 Q CA 1.799 57.580 55.803 -0.037 0.000 1.345 675 Q CB -2.552 26.160 28.738 -0.044 0.000 1.570 675 Q HN 0.768 nan 8.270 nan 0.000 0.701 676 G N 0.330 109.138 108.800 0.013 0.000 2.588 676 G HA2 0.498 4.466 3.960 0.014 0.000 0.281 676 G HA3 0.498 4.466 3.960 0.014 0.000 0.281 676 G C -0.256 174.664 174.900 0.034 0.000 1.236 676 G CA -0.470 44.646 45.100 0.027 0.000 0.969 676 G HN 0.007 nan 8.290 nan 0.000 0.504 677 K N -0.729 119.694 120.400 0.038 0.000 2.385 677 K HA 0.487 4.816 4.320 0.014 0.000 0.248 677 K C -0.747 175.883 176.600 0.050 0.000 0.955 677 K CA -0.566 55.748 56.287 0.044 0.000 0.816 677 K CB 2.431 34.951 32.500 0.033 0.000 1.250 677 K HN 0.537 nan 8.250 nan 0.000 0.434 678 Q N 2.828 122.662 119.800 0.057 0.000 2.331 678 Q HA 0.411 4.760 4.340 0.014 0.000 0.272 678 Q C -1.685 174.346 176.000 0.052 0.000 1.062 678 Q CA -0.683 55.153 55.803 0.055 0.000 0.806 678 Q CB 1.364 30.139 28.738 0.060 0.000 1.312 678 Q HN 0.511 nan 8.270 nan 0.000 0.431 679 L N 4.924 126.168 121.223 0.035 0.000 2.295 679 L HA 0.587 4.936 4.340 0.014 0.000 0.285 679 L C -0.572 176.301 176.870 0.007 0.000 1.035 679 L CA -0.709 54.141 54.840 0.017 0.000 0.806 679 L CB 1.374 43.434 42.059 0.002 0.000 1.214 679 L HN 0.596 nan 8.230 nan 0.000 0.426 680 I N 3.179 123.741 120.570 -0.012 0.000 2.439 680 I HA 0.219 4.398 4.170 0.014 0.000 0.285 680 I C -0.448 175.611 176.117 -0.097 0.000 1.021 680 I CA -0.627 60.651 61.300 -0.036 0.000 1.091 680 I CB 1.908 39.897 38.000 -0.019 0.000 1.242 680 I HN 0.522 nan 8.210 nan 0.000 0.439 681 E N 7.301 127.443 120.200 -0.097 0.000 2.130 681 E HA 0.332 4.691 4.350 0.014 0.000 0.284 681 E C -0.306 176.177 176.600 -0.196 0.000 1.018 681 E CA -0.539 55.781 56.400 -0.133 0.000 0.817 681 E CB 1.737 31.384 29.700 -0.089 0.000 1.078 681 E HN 0.512 nan 8.360 nan 0.000 0.396 682 L N 4.849 125.890 121.223 -0.304 0.000 2.485 682 L HA 0.090 4.438 4.340 0.014 0.000 0.275 682 L C -1.844 174.844 176.870 -0.304 0.000 1.207 682 L CA -1.427 53.123 54.840 -0.484 0.000 0.855 682 L CB 0.087 41.803 42.059 -0.570 0.000 1.114 682 L HN 0.156 nan 8.230 nan 0.000 0.485 683 P HA -0.005 nan 4.420 nan 0.000 0.270 683 P C -0.434 176.827 177.300 -0.064 0.000 1.223 683 P CA -0.314 62.749 63.100 -0.061 0.000 0.785 683 P CB 0.428 32.182 31.700 0.091 0.000 0.923 684 E N 1.062 121.248 120.200 -0.023 0.000 2.414 684 E HA 0.058 4.417 4.350 0.014 0.000 0.263 684 E C -0.425 176.182 176.600 0.013 0.000 1.000 684 E CA 0.053 56.441 56.400 -0.020 0.000 0.914 684 E CB 0.248 29.942 29.700 -0.010 0.000 0.948 684 E HN 0.231 nan 8.360 nan 0.000 0.444 685 L N 5.480 126.707 121.223 0.007 0.000 2.440 685 L HA 0.500 4.848 4.340 0.014 0.000 0.262 685 L C -1.968 174.925 176.870 0.038 0.000 1.072 685 L CA -1.556 53.310 54.840 0.045 0.000 0.798 685 L CB 0.861 42.959 42.059 0.064 0.000 1.307 685 L HN 0.545 nan 8.230 nan 0.000 0.475 686 P HA 0.489 nan 4.420 nan 0.000 0.287 686 P C -2.033 175.287 177.300 0.032 0.000 1.292 686 P CA -0.849 62.273 63.100 0.036 0.000 0.879 686 P CB 1.541 33.264 31.700 0.040 0.000 1.214 687 Q N 0.178 119.993 119.800 0.024 0.000 2.347 687 Q HA 0.657 5.005 4.340 0.014 0.000 0.271 687 Q C -2.504 173.509 176.000 0.021 0.000 1.064 687 Q CA -1.484 54.331 55.803 0.021 0.000 0.800 687 Q CB 1.216 29.961 28.738 0.013 0.000 1.304 687 Q HN 0.298 nan 8.270 nan 0.000 0.438 688 P HA 0.375 nan 4.420 nan 0.000 0.301 688 P C -0.827 176.486 177.300 0.021 0.000 1.399 688 P CA -0.694 62.421 63.100 0.024 0.000 0.950 688 P CB 1.697 33.416 31.700 0.031 0.000 0.972 689 E N -0.066 120.145 120.200 0.018 0.000 2.511 689 E HA 0.001 4.359 4.350 0.014 0.000 0.196 689 E C 0.733 177.345 176.600 0.019 0.000 1.066 689 E CA 0.235 56.644 56.400 0.016 0.000 0.871 689 E CB -0.085 29.622 29.700 0.012 0.000 0.863 689 E HN 0.305 nan 8.360 nan 0.000 0.520 690 S N 1.040 116.754 115.700 0.023 0.000 2.481 690 S HA 0.345 4.823 4.470 0.014 0.000 0.282 690 S C 0.372 174.992 174.600 0.033 0.000 1.243 690 S CA -0.478 57.739 58.200 0.028 0.000 1.078 690 S CB 0.067 63.285 63.200 0.029 0.000 0.916 690 S HN 0.295 nan 8.310 nan 0.000 0.495 691 A N 4.336 127.177 122.820 0.034 0.000 2.507 691 A HA 0.636 4.965 4.320 0.014 0.000 0.235 691 A C 1.033 178.646 177.584 0.049 0.000 1.070 691 A CA 0.389 52.448 52.037 0.037 0.000 0.768 691 A CB -0.579 18.444 19.000 0.038 0.000 1.011 691 A HN 1.965 nan 8.150 nan 0.000 0.502 692 G N -0.559 108.270 108.800 0.048 0.000 2.351 692 G HA2 0.451 4.420 3.960 0.014 0.000 0.353 692 G HA3 0.451 4.420 3.960 0.014 0.000 0.353 692 G C -1.120 173.807 174.900 0.046 0.000 1.358 692 G CA -0.158 44.983 45.100 0.068 0.000 0.995 692 G HN 1.204 nan 8.290 nan 0.000 0.611 693 Q N -0.247 119.590 119.800 0.063 0.000 2.290 693 Q HA 0.735 5.084 4.340 0.014 0.000 0.259 693 Q C -0.286 175.740 176.000 0.043 0.000 0.941 693 Q CA -0.581 55.206 55.803 -0.027 0.000 0.912 693 Q CB 1.292 29.972 28.738 -0.097 0.000 1.244 693 Q HN 0.592 nan 8.270 nan 0.000 0.441 694 L N 4.106 125.313 121.223 -0.026 0.000 2.371 694 L HA 0.469 4.818 4.340 0.014 0.000 0.272 694 L C -0.786 176.104 176.870 0.034 0.000 1.124 694 L CA -0.322 54.559 54.840 0.069 0.000 0.816 694 L CB 0.714 42.795 42.059 0.037 0.000 1.129 694 L HN 0.693 nan 8.230 nan 0.000 0.448 695 W N 3.850 125.203 121.300 0.088 0.000 2.883 695 W HA 0.497 5.166 4.660 0.014 0.000 0.335 695 W C -0.901 175.721 176.519 0.172 0.000 1.083 695 W CA -0.524 56.894 57.345 0.123 0.000 1.233 695 W CB 1.726 31.272 29.460 0.144 0.000 1.412 695 W HN 0.104 nan 8.180 nan 0.000 0.490 696 L N 3.168 124.675 121.223 0.473 0.000 2.295 696 L HA 0.761 5.109 4.340 0.014 0.000 0.285 696 L C -0.315 176.859 176.870 0.506 0.000 1.035 696 L CA 0.190 55.291 54.840 0.435 0.000 0.806 696 L CB 1.279 43.555 42.059 0.361 0.000 1.214 696 L HN 0.326 nan 8.230 nan 0.000 0.426 697 T N 5.074 119.870 114.554 0.403 0.000 2.824 697 T HA 0.666 5.025 4.350 0.014 0.000 0.282 697 T C -0.682 174.212 174.700 0.324 0.000 0.993 697 T CA -0.446 61.849 62.100 0.326 0.000 0.967 697 T CB 1.512 70.505 68.868 0.210 0.000 0.960 697 T HN 0.603 nan 8.240 nan 0.000 0.441 698 V N 1.549 121.628 119.914 0.274 0.000 2.769 698 V HA 0.909 5.038 4.120 0.014 0.000 0.312 698 V C -0.733 175.460 176.094 0.164 0.000 1.061 698 V CA -1.277 61.153 62.300 0.217 0.000 0.931 698 V CB 1.901 33.795 31.823 0.118 0.000 1.010 698 V HN 0.978 nan 8.190 nan 0.000 0.433 699 R N 2.112 122.732 120.500 0.201 0.000 2.673 699 R HA 0.816 5.165 4.340 0.014 0.000 0.281 699 R C -1.889 174.558 176.300 0.245 0.000 0.991 699 R CA -0.767 55.472 56.100 0.231 0.000 0.896 699 R CB 1.962 32.359 30.300 0.162 0.000 1.201 699 R HN 0.525 nan 8.270 nan 0.000 0.457 700 V N 2.564 122.652 119.914 0.290 0.000 2.407 700 V HA 0.362 4.490 4.120 0.014 0.000 0.278 700 V C -0.121 176.088 176.094 0.191 0.000 1.037 700 V CA -0.618 61.821 62.300 0.232 0.000 0.900 700 V CB 1.574 33.515 31.823 0.196 0.000 0.983 700 V HN 0.532 nan 8.190 nan 0.000 0.459 701 V N 4.931 124.942 119.914 0.163 0.000 2.680 701 V HA 0.435 4.563 4.120 0.014 0.000 0.309 701 V C -0.355 175.823 176.094 0.141 0.000 1.052 701 V CA -0.801 61.561 62.300 0.104 0.000 0.908 701 V CB 2.023 33.863 31.823 0.027 0.000 1.001 701 V HN 0.889 nan 8.190 nan 0.000 0.431 702 Q N 4.938 124.822 119.800 0.140 0.000 2.368 702 Q HA 0.300 4.648 4.340 0.014 0.000 0.256 702 Q C -1.847 174.202 176.000 0.082 0.000 0.980 702 Q CA -1.776 54.104 55.803 0.129 0.000 0.887 702 Q CB 2.082 30.909 28.738 0.148 0.000 1.221 702 Q HN 0.465 nan 8.270 nan 0.000 0.458 703 P HA -0.126 nan 4.420 nan 0.000 0.220 703 P C -0.554 176.760 177.300 0.024 0.000 1.152 703 P CA 0.973 64.106 63.100 0.056 0.000 0.812 703 P CB 0.406 32.143 31.700 0.062 0.000 0.792 704 N N -0.425 118.280 118.700 0.007 0.000 2.487 704 N HA 0.443 5.191 4.740 0.014 0.000 0.292 704 N C -0.229 175.239 175.510 -0.070 0.000 1.108 704 N CA -0.671 52.365 53.050 -0.023 0.000 0.956 704 N CB 0.984 39.459 38.487 -0.019 0.000 1.176 704 N HN -0.062 nan 8.380 nan 0.000 0.484 705 A N 0.789 123.560 122.820 -0.082 0.000 2.406 705 A HA 0.483 4.811 4.320 0.014 0.000 0.243 705 A C 0.573 178.043 177.584 -0.190 0.000 1.082 705 A CA -0.038 51.915 52.037 -0.140 0.000 0.786 705 A CB 0.056 18.999 19.000 -0.096 0.000 1.029 705 A HN 0.714 nan 8.150 nan 0.000 0.495 706 T N -3.274 111.087 114.554 -0.321 0.000 2.742 706 T HA 0.626 4.984 4.350 0.014 0.000 0.282 706 T C 0.892 175.444 174.700 -0.246 0.000 1.025 706 T CA 0.061 61.957 62.100 -0.341 0.000 1.020 706 T CB 1.069 69.513 68.868 -0.707 0.000 1.317 706 T HN 1.366 nan 8.240 nan 0.000 0.538 707 A N -0.155 122.609 122.820 -0.093 0.000 2.119 707 A HA 0.139 4.467 4.320 0.014 0.000 0.217 707 A C 1.567 179.301 177.584 0.250 0.000 1.153 707 A CA 0.913 53.003 52.037 0.088 0.000 0.692 707 A CB -0.869 18.218 19.000 0.144 0.000 0.799 707 A HN 0.900 nan 8.150 nan 0.000 0.458 708 W N -0.758 120.612 121.300 0.117 0.000 2.714 708 W HA 0.415 5.084 4.660 0.015 0.000 0.353 708 W C -0.222 176.264 176.519 -0.055 0.000 0.999 708 W CA 0.472 57.848 57.345 0.051 0.000 1.629 708 W CB -0.960 28.519 29.460 0.033 0.000 1.106 708 W HN 0.396 nan 8.180 nan 0.000 0.545 709 S N 0.001 115.317 115.700 -0.640 0.000 2.570 709 S HA 0.452 4.930 4.470 0.014 0.000 0.270 709 S C -0.828 173.558 174.600 -0.356 0.000 1.149 709 S CA -0.735 57.091 58.200 -0.623 0.000 0.837 709 S CB 2.824 65.259 63.200 -1.275 0.000 1.124 709 S HN 0.103 nan 8.310 nan 0.000 0.465 710 E N 0.532 120.630 120.200 -0.169 0.000 2.280 710 E HA 0.567 4.925 4.350 0.014 0.000 0.264 710 E C 0.252 176.821 176.600 -0.052 0.000 1.064 710 E CA -0.810 55.543 56.400 -0.078 0.000 0.900 710 E CB 1.416 31.112 29.700 -0.005 0.000 1.123 710 E HN 0.881 nan 8.360 nan 0.000 0.418 711 A N 0.263 123.061 122.820 -0.036 0.000 2.531 711 A HA 0.370 4.699 4.320 0.014 0.000 0.236 711 A C 1.129 178.725 177.584 0.019 0.000 1.062 711 A CA 0.883 52.912 52.037 -0.013 0.000 0.760 711 A CB -0.417 18.578 19.000 -0.010 0.000 0.995 711 A HN 0.791 nan 8.150 nan 0.000 0.501 712 G N 0.578 109.398 108.800 0.034 0.000 2.176 712 G HA2 -0.256 3.713 3.960 0.014 0.000 0.253 712 G HA3 -0.256 3.713 3.960 0.014 0.000 0.253 712 G C 0.289 175.213 174.900 0.040 0.000 0.979 712 G CA 0.702 45.817 45.100 0.025 0.000 0.641 712 G HN 1.803 nan 8.290 nan 0.000 0.530 713 H N 0.730 119.796 119.070 -0.005 0.000 3.140 713 H HA 0.356 4.920 4.556 0.014 0.000 0.316 713 H C 0.727 176.110 175.328 0.092 0.000 0.986 713 H CA 0.599 56.668 56.048 0.035 0.000 1.397 713 H CB 0.113 29.880 29.762 0.007 0.000 1.377 713 H HN 0.333 nan 8.280 nan 0.000 0.585 714 I N 4.656 124.939 120.570 -0.479 0.000 2.315 714 I HA 0.036 4.215 4.170 0.014 0.000 0.291 714 I C 0.944 176.897 176.117 -0.273 0.000 1.006 714 I CA 0.104 61.263 61.300 -0.236 0.000 1.265 714 I CB 1.467 39.392 38.000 -0.125 0.000 1.387 714 I HN 0.794 nan 8.210 nan 0.000 0.475 715 S N 4.244 120.016 115.700 0.119 0.000 2.505 715 S HA 0.553 5.031 4.470 0.014 0.000 0.216 715 S C 0.428 175.299 174.600 0.452 0.000 1.018 715 S CA -0.029 58.391 58.200 0.367 0.000 0.911 715 S CB 0.568 64.090 63.200 0.538 0.000 0.818 715 S HN 0.692 nan 8.310 nan 0.000 0.497 716 A N 0.484 123.605 122.820 0.502 0.000 2.608 716 A HA 0.690 5.018 4.320 0.014 0.000 0.292 716 A C -1.766 176.190 177.584 0.620 0.000 1.066 716 A CA -0.908 51.400 52.037 0.452 0.000 0.676 716 A CB 0.474 19.804 19.000 0.550 0.000 1.277 716 A HN 0.924 nan 8.150 nan 0.000 0.413 717 W N -0.307 121.189 121.300 0.328 0.000 3.005 717 W HA 0.805 5.474 4.660 0.015 0.000 0.343 717 W C -1.192 175.397 176.519 0.118 0.000 1.243 717 W CA -0.617 56.812 57.345 0.140 0.000 1.186 717 W CB 1.187 30.681 29.460 0.056 0.000 1.453 717 W HN 1.052 nan 8.180 nan 0.000 0.575 718 Q N 0.986 120.847 119.800 0.102 0.000 2.545 718 Q HA 0.397 4.746 4.340 0.014 0.000 0.273 718 Q C -1.699 174.152 176.000 -0.250 0.000 0.975 718 Q CA -0.423 55.278 55.803 -0.170 0.000 0.876 718 Q CB 2.197 30.636 28.738 -0.498 0.000 1.472 718 Q HN 0.625 nan 8.270 nan 0.000 0.389 719 Q N 1.507 121.106 119.800 -0.335 0.000 2.423 719 Q HA 0.653 5.001 4.340 0.014 0.000 0.278 719 Q C -1.106 174.775 176.000 -0.198 0.000 1.097 719 Q CA -0.729 55.057 55.803 -0.028 0.000 0.809 719 Q CB 2.493 31.401 28.738 0.284 0.000 1.391 719 Q HN 0.598 nan 8.270 nan 0.000 0.428 720 W N 0.810 122.286 121.300 0.292 0.000 3.033 720 W HA 0.453 5.121 4.660 0.013 0.000 0.336 720 W C -0.359 176.131 176.519 -0.047 0.000 1.173 720 W CA -0.677 56.745 57.345 0.129 0.000 1.185 720 W CB 1.793 31.281 29.460 0.048 0.000 1.425 720 W HN 0.421 nan 8.180 nan 0.000 0.536 721 R N 1.624 122.005 120.500 -0.197 0.000 2.390 721 R HA 0.462 4.810 4.340 0.014 0.000 0.291 721 R C 0.484 176.655 176.300 -0.216 0.000 1.070 721 R CA -0.172 55.555 56.100 -0.622 0.000 1.014 721 R CB 1.114 30.973 30.300 -0.735 0.000 1.007 721 R HN 0.293 nan 8.270 nan 0.000 0.466 722 L N 1.177 122.280 121.223 -0.200 0.000 2.793 722 L HA 0.527 4.876 4.340 0.014 0.000 0.188 722 L C 0.581 177.375 176.870 -0.127 0.000 1.949 722 L CA -1.062 53.715 54.840 -0.106 0.000 2.556 722 L CB -0.038 41.995 42.059 -0.042 0.000 2.898 722 L HN 0.600 nan 8.230 nan 0.000 0.621 723 A N 0.356 123.127 122.820 -0.081 0.000 2.445 723 A HA 0.193 4.521 4.320 0.014 0.000 0.242 723 A C -0.291 177.245 177.584 -0.081 0.000 1.075 723 A CA 0.192 52.187 52.037 -0.071 0.000 0.777 723 A CB 0.116 19.091 19.000 -0.042 0.000 1.013 723 A HN 0.615 nan 8.150 nan 0.000 0.493 724 E N 1.179 121.335 120.200 -0.072 0.000 2.210 724 E HA 0.315 4.673 4.350 0.014 0.000 0.266 724 E C -1.362 175.221 176.600 -0.029 0.000 0.883 724 E CA -0.702 55.660 56.400 -0.063 0.000 0.761 724 E CB 0.824 30.476 29.700 -0.081 0.000 1.156 724 E HN 0.658 nan 8.360 nan 0.000 0.412 725 N N 5.047 123.742 118.700 -0.009 0.000 2.558 725 N HA 0.269 5.017 4.740 0.014 0.000 0.242 725 N C -0.688 174.829 175.510 0.012 0.000 0.979 725 N CA -0.320 52.732 53.050 0.003 0.000 0.931 725 N CB 1.068 39.561 38.487 0.010 0.000 1.122 725 N HN 0.495 nan 8.380 nan 0.000 0.508 726 L N 0.763 121.992 121.223 0.010 0.000 2.426 726 L HA 0.151 4.500 4.340 0.014 0.000 0.271 726 L C 1.265 178.150 176.870 0.025 0.000 1.169 726 L CA -0.047 54.804 54.840 0.019 0.000 0.836 726 L CB 0.656 42.726 42.059 0.017 0.000 1.112 726 L HN 0.352 nan 8.230 nan 0.000 0.465 727 S N 1.649 117.369 115.700 0.034 0.000 2.528 727 S HA 0.247 4.725 4.470 0.014 0.000 0.277 727 S C 0.523 175.141 174.600 0.031 0.000 1.297 727 S CA -0.745 57.475 58.200 0.034 0.000 1.052 727 S CB 0.880 64.106 63.200 0.043 0.000 0.917 727 S HN 0.472 nan 8.310 nan 0.000 0.492 728 V N 2.106 122.036 119.914 0.026 0.000 3.346 728 V HA 0.353 4.481 4.120 0.014 0.000 0.309 728 V C 0.452 176.560 176.094 0.022 0.000 1.457 728 V CA 0.029 62.343 62.300 0.023 0.000 1.069 728 V CB -0.565 31.269 31.823 0.018 0.000 0.944 728 V HN 0.829 nan 8.190 nan 0.000 0.449 729 T N 0.680 115.248 114.554 0.025 0.000 2.856 729 T HA 0.709 5.067 4.350 0.014 0.000 0.292 729 T C -0.307 174.407 174.700 0.024 0.000 0.980 729 T CA -0.402 61.712 62.100 0.023 0.000 1.091 729 T CB 1.724 70.606 68.868 0.023 0.000 0.936 729 T HN 0.212 nan 8.240 nan 0.000 0.503 730 L N 4.642 125.876 121.223 0.019 0.000 2.367 730 L HA 0.352 4.700 4.340 0.014 0.000 0.275 730 L C -1.454 175.426 176.870 0.017 0.000 1.129 730 L CA -1.483 53.367 54.840 0.017 0.000 0.839 730 L CB -0.447 41.618 42.059 0.011 0.000 1.133 730 L HN 0.583 nan 8.230 nan 0.000 0.453 731 P HA 0.182 nan 4.420 nan 0.000 0.269 731 P C -0.589 176.715 177.300 0.007 0.000 1.215 731 P CA -0.570 62.542 63.100 0.021 0.000 0.780 731 P CB 0.545 32.261 31.700 0.028 0.000 0.898 732 A N 1.984 124.809 122.820 0.009 0.000 2.531 732 A HA 0.426 4.754 4.320 0.014 0.000 0.236 732 A C 0.686 178.240 177.584 -0.050 0.000 1.062 732 A CA 0.064 52.097 52.037 -0.007 0.000 0.760 732 A CB -0.511 18.497 19.000 0.014 0.000 0.995 732 A HN 0.716 nan 8.150 nan 0.000 0.501 733 A N 2.655 125.429 122.820 -0.078 0.000 2.477 733 A HA 0.497 4.825 4.320 0.014 0.000 0.246 733 A C 0.923 178.298 177.584 -0.349 0.000 1.078 733 A CA 0.331 52.282 52.037 -0.144 0.000 0.770 733 A CB -0.289 18.654 19.000 -0.096 0.000 1.011 733 A HN 1.922 nan 8.150 nan 0.000 0.494 734 S N 2.132 117.609 115.700 -0.372 0.000 2.528 734 S HA 0.268 4.746 4.470 0.014 0.000 0.277 734 S C 0.720 175.051 174.600 -0.448 0.000 1.297 734 S CA -0.019 57.803 58.200 -0.631 0.000 1.052 734 S CB 0.170 63.231 63.200 -0.231 0.000 0.917 734 S HN 0.747 nan 8.310 nan 0.000 0.492 735 H N 3.577 122.657 119.070 0.018 0.000 2.270 735 H HA 0.210 4.774 4.556 0.014 0.000 0.299 735 H C 1.319 176.656 175.328 0.016 0.000 1.077 735 H CA 1.216 57.273 56.048 0.015 0.000 1.294 735 H CB -0.912 28.858 29.762 0.013 0.000 1.371 735 H HN 0.874 nan 8.280 nan 0.000 0.491 736 A N 1.042 123.978 122.820 0.193 0.000 2.246 736 A HA 0.552 4.881 4.320 0.014 0.000 0.291 736 A C -0.042 177.585 177.584 0.071 0.000 1.103 736 A CA -0.268 51.838 52.037 0.114 0.000 0.844 736 A CB 0.092 19.163 19.000 0.117 0.000 1.136 736 A HN 0.481 nan 8.150 nan 0.000 0.500 737 I N -0.864 119.749 120.570 0.072 0.000 2.534 737 I HA 0.596 4.774 4.170 0.014 0.000 0.288 737 I C -2.907 173.277 176.117 0.111 0.000 1.077 737 I CA -2.131 59.215 61.300 0.076 0.000 1.051 737 I CB 2.395 40.439 38.000 0.074 0.000 1.234 737 I HN 0.316 nan 8.210 nan 0.000 0.425 738 P HA 0.265 nan 4.420 nan 0.000 0.272 738 P C -1.314 176.125 177.300 0.231 0.000 1.230 738 P CA 0.090 63.264 63.100 0.123 0.000 0.788 738 P CB 0.338 32.073 31.700 0.058 0.000 0.949 739 H N 0.186 119.288 119.070 0.055 0.000 2.492 739 H HA 0.442 5.007 4.556 0.014 0.000 0.345 739 H C -0.702 174.657 175.328 0.050 0.000 1.136 739 H CA -1.002 55.069 56.048 0.038 0.000 1.202 739 H CB 1.742 31.529 29.762 0.042 0.000 1.524 739 H HN 0.249 nan 8.280 nan 0.000 0.506 740 L N 2.219 123.496 121.223 0.090 0.000 2.309 740 L HA 0.342 4.690 4.340 0.014 0.000 0.282 740 L C -0.522 176.394 176.870 0.076 0.000 1.036 740 L CA -0.039 54.844 54.840 0.072 0.000 0.806 740 L CB 1.685 43.733 42.059 -0.018 0.000 1.220 740 L HN 0.530 nan 8.230 nan 0.000 0.429 741 T N 3.239 117.870 114.554 0.130 0.000 2.841 741 T HA 0.545 4.903 4.350 0.014 0.000 0.285 741 T C -0.506 174.301 174.700 0.177 0.000 0.991 741 T CA -0.372 61.799 62.100 0.119 0.000 0.966 741 T CB 1.273 70.201 68.868 0.101 0.000 0.962 741 T HN 0.685 nan 8.240 nan 0.000 0.438 742 T N 2.771 117.423 114.554 0.163 0.000 2.888 742 T HA 0.771 5.130 4.350 0.014 0.000 0.284 742 T C -0.156 174.596 174.700 0.086 0.000 1.017 742 T CA -0.712 61.515 62.100 0.212 0.000 1.022 742 T CB 1.390 70.403 68.868 0.242 0.000 1.013 742 T HN 0.729 nan 8.240 nan 0.000 0.465 743 S N 0.726 116.434 115.700 0.014 0.000 2.685 743 S HA 0.450 4.929 4.470 0.014 0.000 0.282 743 S C 0.829 175.375 174.600 -0.090 0.000 1.159 743 S CA -0.880 57.307 58.200 -0.022 0.000 0.833 743 S CB 1.748 64.941 63.200 -0.011 0.000 1.151 743 S HN 0.735 nan 8.310 nan 0.000 0.485 744 E N -0.479 119.679 120.200 -0.071 0.000 2.153 744 E HA -0.161 4.198 4.350 0.014 0.000 0.194 744 E C 1.496 178.012 176.600 -0.140 0.000 0.988 744 E CA 1.232 57.574 56.400 -0.096 0.000 0.811 744 E CB -0.121 29.547 29.700 -0.054 0.000 0.746 744 E HN 0.627 nan 8.360 nan 0.000 0.466 745 M N 0.382 119.918 119.600 -0.108 0.000 2.501 745 M HA 0.113 4.602 4.480 0.014 0.000 0.261 745 M C -0.610 175.615 176.300 -0.124 0.000 1.129 745 M CA 0.735 55.978 55.300 -0.096 0.000 1.126 745 M CB 0.809 33.387 32.600 -0.038 0.000 1.359 745 M HN -0.168 nan 8.290 nan 0.000 0.471 746 D N -1.313 118.994 120.400 -0.154 0.000 2.602 746 D HA 0.265 4.913 4.640 0.014 0.000 0.236 746 D C -1.553 174.648 176.300 -0.166 0.000 1.209 746 D CA -0.325 53.604 54.000 -0.118 0.000 0.831 746 D CB 1.607 42.431 40.800 0.041 0.000 1.478 746 D HN -0.124 nan 8.370 nan 0.000 0.438 747 F N 1.031 121.068 119.950 0.145 0.000 2.426 747 F HA 0.345 4.880 4.527 0.014 0.000 0.348 747 F C 0.162 176.099 175.800 0.229 0.000 1.124 747 F CA -0.765 57.317 58.000 0.137 0.000 1.008 747 F CB 1.112 40.158 39.000 0.076 0.000 1.139 747 F HN 0.123 nan 8.300 nan 0.000 0.452 748 C N 4.807 124.333 119.300 0.377 0.000 2.382 748 C HA 0.780 5.248 4.460 0.014 0.000 0.327 748 C C -0.213 174.959 174.990 0.303 0.000 1.250 748 C CA -0.792 58.421 59.018 0.324 0.000 1.707 748 C CB 0.665 28.526 27.740 0.201 0.000 2.272 748 C HN 0.526 nan 8.230 nan 0.000 0.506 749 I N 2.357 123.152 120.570 0.375 0.000 2.465 749 I HA 0.486 4.665 4.170 0.014 0.000 0.291 749 I C -0.108 176.271 176.117 0.437 0.000 1.014 749 I CA -0.142 61.365 61.300 0.344 0.000 1.093 749 I CB 1.444 39.623 38.000 0.297 0.000 1.267 749 I HN 0.650 nan 8.210 nan 0.000 0.431 750 E N 5.372 125.762 120.200 0.316 0.000 2.238 750 E HA 0.762 5.121 4.350 0.014 0.000 0.267 750 E C -1.798 174.949 176.600 0.246 0.000 0.887 750 E CA -0.857 55.697 56.400 0.257 0.000 0.769 750 E CB 2.281 32.044 29.700 0.105 0.000 1.187 750 E HN 0.529 nan 8.360 nan 0.000 0.416 751 L N 4.740 126.122 121.223 0.265 0.000 2.611 751 L HA 0.525 4.874 4.340 0.014 0.000 0.263 751 L C 0.051 176.986 176.870 0.108 0.000 0.969 751 L CA 0.605 55.563 54.840 0.198 0.000 0.894 751 L CB 1.202 43.445 42.059 0.307 0.000 1.229 751 L HN 0.789 nan 8.230 nan 0.000 0.416 752 G N 4.357 113.170 108.800 0.022 0.000 2.574 752 G HA2 -0.411 3.557 3.960 0.014 0.000 0.286 752 G HA3 -0.411 3.557 3.960 0.014 0.000 0.286 752 G C 0.423 175.304 174.900 -0.031 0.000 1.212 752 G CA 0.547 45.642 45.100 -0.008 0.000 0.979 752 G HN 1.320 nan 8.290 nan 0.000 0.557 753 N N 1.374 120.050 118.700 -0.042 0.000 2.362 753 N HA 0.131 4.879 4.740 0.014 0.000 0.211 753 N C 0.234 175.686 175.510 -0.096 0.000 1.170 753 N CA 0.652 53.662 53.050 -0.066 0.000 0.828 753 N CB 0.171 38.622 38.487 -0.060 0.000 1.034 753 N HN 0.742 nan 8.380 nan 0.000 0.475 754 K N 0.769 121.104 120.400 -0.108 0.000 2.207 754 K HA 0.479 4.807 4.320 0.014 0.000 0.255 754 K C -0.231 176.195 176.600 -0.290 0.000 0.941 754 K CA -0.681 55.432 56.287 -0.289 0.000 0.825 754 K CB 1.841 34.099 32.500 -0.403 0.000 1.119 754 K HN 0.136 nan 8.250 nan 0.000 0.430 755 R N 2.159 122.422 120.500 -0.395 0.000 2.725 755 R HA 0.450 4.799 4.340 0.014 0.000 0.277 755 R C -1.088 175.128 176.300 -0.139 0.000 0.987 755 R CA -0.945 55.105 56.100 -0.084 0.000 0.901 755 R CB 1.812 32.087 30.300 -0.041 0.000 1.207 755 R HN 0.557 nan 8.270 nan 0.000 0.463 756 W N 1.792 123.207 121.300 0.191 0.000 2.785 756 W HA 0.338 5.007 4.660 0.014 0.000 0.333 756 W C -0.475 176.130 176.519 0.143 0.000 1.062 756 W CA -0.607 56.786 57.345 0.079 0.000 1.233 756 W CB 2.566 32.061 29.460 0.058 0.000 1.413 756 W HN 0.483 nan 8.180 nan 0.000 0.489 757 Q N 2.697 122.615 119.800 0.197 0.000 2.325 757 Q HA 0.452 4.801 4.340 0.014 0.000 0.270 757 Q C -1.892 174.062 176.000 -0.077 0.000 1.020 757 Q CA -0.465 55.457 55.803 0.198 0.000 0.785 757 Q CB 1.405 30.325 28.738 0.304 0.000 1.259 757 Q HN 0.346 nan 8.270 nan 0.000 0.452 758 F N 2.637 122.676 119.950 0.147 0.000 2.444 758 F HA 0.334 4.869 4.527 0.014 0.000 0.342 758 F C 0.541 176.370 175.800 0.049 0.000 1.121 758 F CA -0.871 57.179 58.000 0.084 0.000 0.997 758 F CB 1.386 40.443 39.000 0.094 0.000 1.130 758 F HN 0.498 nan 8.300 nan 0.000 0.454 759 N N 3.341 122.146 118.700 0.176 0.000 2.470 759 N HA 0.110 4.859 4.740 0.014 0.000 0.268 759 N C 0.761 176.285 175.510 0.023 0.000 1.136 759 N CA 0.004 53.103 53.050 0.083 0.000 0.961 759 N CB 0.816 39.359 38.487 0.093 0.000 1.067 759 N HN 0.699 nan 8.380 nan 0.000 0.468 760 R N 2.191 122.637 120.500 -0.091 0.000 2.275 760 R HA -0.037 4.311 4.340 0.014 0.000 0.199 760 R C 1.607 177.846 176.300 -0.101 0.000 0.989 760 R CA 0.511 56.514 56.100 -0.162 0.000 1.016 760 R CB 0.235 30.326 30.300 -0.348 0.000 0.918 760 R HN 0.680 nan 8.270 nan 0.000 0.473 761 Q N 0.358 120.125 119.800 -0.055 0.000 2.204 761 Q HA -0.066 4.283 4.340 0.014 0.000 0.198 761 Q C 1.838 177.826 176.000 -0.019 0.000 0.946 761 Q CA 1.557 57.340 55.803 -0.035 0.000 0.859 761 Q CB 0.310 29.044 28.738 -0.007 0.000 0.946 761 Q HN 0.274 nan 8.270 nan 0.000 0.474 762 S N -1.858 113.852 115.700 0.017 0.000 2.486 762 S HA 0.207 4.685 4.470 0.014 0.000 0.220 762 S C 1.401 175.919 174.600 -0.136 0.000 1.011 762 S CA 0.594 58.819 58.200 0.041 0.000 0.921 762 S CB 0.538 63.867 63.200 0.216 0.000 0.785 762 S HN 0.630 nan 8.310 nan 0.000 0.517 763 G N 0.469 109.203 108.800 -0.110 0.000 2.148 763 G HA2 -0.209 3.759 3.960 0.014 0.000 0.254 763 G HA3 -0.209 3.759 3.960 0.014 0.000 0.254 763 G C -0.199 174.613 174.900 -0.146 0.000 0.981 763 G CA 0.348 45.359 45.100 -0.148 0.000 0.670 763 G HN 0.480 nan 8.290 nan 0.000 0.528 764 F N -1.059 119.072 119.950 0.302 0.000 2.523 764 F HA 0.688 5.224 4.527 0.014 0.000 0.329 764 F C 0.515 176.364 175.800 0.081 0.000 1.061 764 F CA -1.737 56.408 58.000 0.242 0.000 0.967 764 F CB 1.308 40.404 39.000 0.160 0.000 1.218 764 F HN 0.012 nan 8.300 nan 0.000 0.480 765 L N 2.132 123.412 121.223 0.095 0.000 2.638 765 L HA 0.127 4.475 4.340 0.014 0.000 0.273 765 L C 1.051 177.817 176.870 -0.173 0.000 1.147 765 L CA 0.564 55.126 54.840 -0.463 0.000 0.941 765 L CB -0.048 41.701 42.059 -0.518 0.000 1.251 765 L HN 0.722 nan 8.230 nan 0.000 0.479 766 S N 2.528 118.126 115.700 -0.170 0.000 2.503 766 S HA 0.255 4.733 4.470 0.014 0.000 0.215 766 S C 0.565 175.043 174.600 -0.204 0.000 1.003 766 S CA -0.063 58.079 58.200 -0.096 0.000 0.910 766 S CB 0.149 63.345 63.200 -0.005 0.000 0.790 766 S HN 0.684 nan 8.310 nan 0.000 0.514 767 Q N -0.225 119.393 119.800 -0.302 0.000 2.578 767 Q HA 0.659 5.007 4.340 0.014 0.000 0.284 767 Q C -2.041 173.623 176.000 -0.560 0.000 0.960 767 Q CA -0.302 55.188 55.803 -0.523 0.000 0.809 767 Q CB 1.659 29.938 28.738 -0.764 0.000 1.462 767 Q HN 0.433 nan 8.270 nan 0.000 0.392 768 M N 1.420 120.581 119.600 -0.731 0.000 2.433 768 M HA 0.575 5.064 4.480 0.014 0.000 0.290 768 M C -1.497 174.446 176.300 -0.596 0.000 1.173 768 M CA -0.424 54.532 55.300 -0.574 0.000 0.905 768 M CB 2.241 34.477 32.600 -0.608 0.000 1.692 768 M HN 0.491 nan 8.290 nan 0.000 0.462 769 W N 3.086 124.163 121.300 -0.372 0.000 2.819 769 W HA 0.564 5.232 4.660 0.014 0.000 0.337 769 W C -1.238 175.092 176.519 -0.314 0.000 1.077 769 W CA -0.785 56.399 57.345 -0.269 0.000 1.226 769 W CB 1.981 31.321 29.460 -0.199 0.000 1.419 769 W HN 0.340 nan 8.180 nan 0.000 0.502 770 I N 2.881 123.451 120.570 0.001 0.000 2.390 770 I HA 0.380 4.558 4.170 0.014 0.000 0.283 770 I C 0.857 176.964 176.117 -0.015 0.000 1.016 770 I CA 0.108 61.366 61.300 -0.071 0.000 1.151 770 I CB 0.396 38.332 38.000 -0.107 0.000 1.293 770 I HN 0.755 nan 8.210 nan 0.000 0.458 771 G N 6.996 115.779 108.800 -0.028 0.000 2.527 771 G HA2 -0.298 3.670 3.960 0.014 0.000 0.268 771 G HA3 -0.298 3.670 3.960 0.014 0.000 0.268 771 G C 0.165 175.077 174.900 0.021 0.000 1.175 771 G CA 0.501 45.588 45.100 -0.022 0.000 0.962 771 G HN 0.595 nan 8.290 nan 0.000 0.560 772 D N 0.539 120.960 120.400 0.034 0.000 2.328 772 D HA 0.360 5.009 4.640 0.014 0.000 0.221 772 D C 0.822 177.254 176.300 0.220 0.000 1.072 772 D CA 0.615 54.668 54.000 0.088 0.000 0.850 772 D CB 0.434 41.249 40.800 0.026 0.000 0.922 772 D HN 0.570 nan 8.370 nan 0.000 0.516 773 K N 1.618 122.108 120.400 0.150 0.000 2.267 773 K HA 0.181 4.510 4.320 0.014 0.000 0.282 773 K C -0.328 176.268 176.600 -0.007 0.000 1.078 773 K CA -0.545 55.784 56.287 0.071 0.000 0.903 773 K CB 0.597 33.096 32.500 -0.003 0.000 1.111 773 K HN -0.219 nan 8.250 nan 0.000 0.475 774 K N 2.905 123.227 120.400 -0.130 0.000 2.382 774 K HA 0.009 4.338 4.320 0.014 0.000 0.275 774 K C 0.509 176.923 176.600 -0.309 0.000 1.009 774 K CA 0.045 56.046 56.287 -0.477 0.000 0.970 774 K CB 0.729 32.995 32.500 -0.390 0.000 0.934 774 K HN 0.618 nan 8.250 nan 0.000 0.479 775 Q N 1.570 121.157 119.800 -0.354 0.000 2.280 775 Q HA 0.185 4.533 4.340 0.014 0.000 0.228 775 Q C -0.122 175.803 176.000 -0.125 0.000 0.857 775 Q CA 0.327 56.045 55.803 -0.142 0.000 0.939 775 Q CB 0.640 29.350 28.738 -0.046 0.000 1.114 775 Q HN 0.488 nan 8.270 nan 0.000 0.514 776 L N 0.963 122.041 121.223 -0.240 0.000 2.346 776 L HA 0.393 4.742 4.340 0.014 0.000 0.276 776 L C 0.974 177.712 176.870 -0.219 0.000 1.006 776 L CA -0.351 54.365 54.840 -0.206 0.000 0.817 776 L CB 1.635 43.563 42.059 -0.218 0.000 1.272 776 L HN -0.078 nan 8.230 nan 0.000 0.421 777 L N 0.508 121.598 121.223 -0.222 0.000 2.408 777 L HA 0.222 4.571 4.340 0.014 0.000 0.215 777 L C 0.285 177.041 176.870 -0.191 0.000 1.081 777 L CA 0.719 55.436 54.840 -0.205 0.000 0.840 777 L CB 0.273 42.201 42.059 -0.218 0.000 1.002 777 L HN 0.602 nan 8.230 nan 0.000 0.468 778 T N -0.100 114.312 114.554 -0.238 0.000 2.912 778 T HA 0.411 4.770 4.350 0.014 0.000 0.299 778 T C -2.548 172.074 174.700 -0.129 0.000 1.052 778 T CA -1.158 60.849 62.100 -0.154 0.000 0.996 778 T CB 2.516 71.274 68.868 -0.183 0.000 1.070 778 T HN -0.269 nan 8.240 nan 0.000 0.465 779 P HA 0.157 nan 4.420 nan 0.000 0.270 779 P C -0.691 176.575 177.300 -0.057 0.000 1.227 779 P CA -0.685 62.385 63.100 -0.049 0.000 0.788 779 P CB 0.415 32.124 31.700 0.015 0.000 0.926 780 L N 3.074 124.298 121.223 0.001 0.000 2.325 780 L HA 0.277 4.626 4.340 0.014 0.000 0.284 780 L C 0.027 176.852 176.870 -0.074 0.000 1.089 780 L CA 0.578 55.452 54.840 0.055 0.000 0.836 780 L CB -0.577 41.619 42.059 0.228 0.000 1.184 780 L HN 0.262 nan 8.230 nan 0.000 0.444 781 R N 2.991 123.331 120.500 -0.267 0.000 2.795 781 R HA 0.423 4.771 4.340 0.014 0.000 0.275 781 R C -0.942 175.175 176.300 -0.305 0.000 0.981 781 R CA -1.071 54.634 56.100 -0.658 0.000 0.917 781 R CB 1.414 31.247 30.300 -0.779 0.000 1.202 781 R HN 0.570 nan 8.270 nan 0.000 0.469 782 D N 1.342 121.630 120.400 -0.186 0.000 2.400 782 D HA 0.005 4.654 4.640 0.014 0.000 0.238 782 D C -0.327 175.596 176.300 -0.629 0.000 1.157 782 D CA 0.635 54.424 54.000 -0.351 0.000 0.889 782 D CB 0.645 41.214 40.800 -0.384 0.000 1.199 782 D HN 0.209 nan 8.370 nan 0.000 0.436 783 Q N 1.038 120.270 119.800 -0.947 0.000 2.285 783 Q HA 0.329 4.678 4.340 0.014 0.000 0.269 783 Q C -1.243 174.025 176.000 -1.219 0.000 1.030 783 Q CA -0.578 54.715 55.803 -0.849 0.000 0.788 783 Q CB 0.788 29.239 28.738 -0.479 0.000 1.266 783 Q HN 0.495 nan 8.270 nan 0.000 0.438 784 F N 0.464 120.021 119.950 -0.654 0.000 2.706 784 F HA 0.196 4.731 4.527 0.014 0.000 0.313 784 F C 0.605 175.958 175.800 -0.745 0.000 1.096 784 F CA -0.051 57.442 58.000 -0.844 0.000 1.219 784 F CB 1.362 39.518 39.000 -1.407 0.000 1.051 784 F HN 0.429 nan 8.300 nan 0.000 0.568 785 T N -0.706 113.532 114.554 -0.526 0.000 2.930 785 T HA 0.771 5.130 4.350 0.014 0.000 0.290 785 T C -0.463 173.984 174.700 -0.422 0.000 1.052 785 T CA -0.996 60.729 62.100 -0.625 0.000 1.017 785 T CB 2.740 71.142 68.868 -0.776 0.000 1.137 785 T HN 0.228 nan 8.240 nan 0.000 0.511 786 R N 0.016 120.313 120.500 -0.338 0.000 2.795 786 R HA 0.779 5.128 4.340 0.014 0.000 0.275 786 R C -0.733 175.619 176.300 0.087 0.000 0.981 786 R CA -1.236 54.795 56.100 -0.114 0.000 0.917 786 R CB 1.567 31.811 30.300 -0.094 0.000 1.202 786 R HN 0.796 nan 8.270 nan 0.000 0.469 787 A N 3.486 126.337 122.820 0.053 0.000 2.484 787 A HA 0.290 4.618 4.320 0.014 0.000 0.268 787 A C -1.997 175.640 177.584 0.090 0.000 1.114 787 A CA -1.394 50.672 52.037 0.049 0.000 0.780 787 A CB -0.417 18.556 19.000 -0.045 0.000 1.061 787 A HN 0.560 nan 8.150 nan 0.000 0.505 788 P HA 0.099 nan 4.420 nan 0.000 0.265 788 P C -0.265 177.132 177.300 0.161 0.000 1.193 788 P CA 0.416 63.660 63.100 0.239 0.000 0.765 788 P CB 0.382 32.252 31.700 0.284 0.000 0.823 789 L N 2.525 123.814 121.223 0.110 0.000 2.466 789 L HA 0.161 4.510 4.340 0.014 0.000 0.257 789 L C 1.858 178.739 176.870 0.017 0.000 1.189 789 L CA -0.480 54.361 54.840 0.002 0.000 0.813 789 L CB -0.027 41.964 42.059 -0.115 0.000 1.118 789 L HN 0.297 nan 8.230 nan 0.000 0.471 790 D N 0.451 120.809 120.400 -0.071 0.000 2.158 790 D HA -0.170 4.479 4.640 0.014 0.000 0.197 790 D C 1.586 177.805 176.300 -0.136 0.000 0.995 790 D CA 1.436 55.320 54.000 -0.194 0.000 0.846 790 D CB 0.029 40.625 40.800 -0.340 0.000 0.941 790 D HN 0.483 nan 8.370 nan 0.000 0.456 791 N N 0.957 119.592 118.700 -0.109 0.000 2.309 791 N HA -0.103 4.646 4.740 0.014 0.000 0.182 791 N C 1.130 176.646 175.510 0.010 0.000 1.018 791 N CA 0.672 53.686 53.050 -0.061 0.000 0.876 791 N CB -0.117 38.324 38.487 -0.077 0.000 0.972 791 N HN 0.262 nan 8.380 nan 0.000 0.434 792 D N 0.333 120.755 120.400 0.036 0.000 2.234 792 D HA 0.062 4.710 4.640 0.014 0.000 0.205 792 D C 1.935 178.276 176.300 0.068 0.000 0.962 792 D CA 0.373 54.431 54.000 0.097 0.000 0.855 792 D CB 0.234 41.163 40.800 0.216 0.000 0.951 792 D HN 0.320 nan 8.370 nan 0.000 0.500 793 I N 0.097 120.691 120.570 0.041 0.000 2.585 793 I HA 0.076 4.254 4.170 0.014 0.000 0.254 793 I C 1.770 177.901 176.117 0.023 0.000 1.129 793 I CA 0.504 61.817 61.300 0.021 0.000 1.455 793 I CB -0.201 37.785 38.000 -0.023 0.000 1.111 793 I HN 0.033 nan 8.210 nan 0.000 0.433 794 G N 1.566 110.391 108.800 0.042 0.000 2.596 794 G HA2 -0.356 3.612 3.960 0.014 0.000 0.295 794 G HA3 -0.356 3.612 3.960 0.014 0.000 0.295 794 G C 0.741 175.805 174.900 0.274 0.000 1.240 794 G CA 0.858 46.051 45.100 0.154 0.000 0.985 794 G HN 0.479 nan 8.290 nan 0.000 0.555 795 V N -1.750 118.275 119.914 0.186 0.000 3.649 795 V HA 0.563 4.691 4.120 0.014 0.000 0.275 795 V C 1.389 177.509 176.094 0.042 0.000 1.281 795 V CA 1.340 63.702 62.300 0.104 0.000 1.143 795 V CB -0.048 31.727 31.823 -0.079 0.000 0.892 795 V HN 1.298 nan 8.190 nan 0.000 0.441 796 S N 1.067 116.786 115.700 0.032 0.000 2.552 796 S HA 0.237 4.716 4.470 0.014 0.000 0.289 796 S C -0.097 174.507 174.600 0.007 0.000 1.304 796 S CA 0.203 58.404 58.200 0.002 0.000 1.063 796 S CB 0.200 63.396 63.200 -0.007 0.000 0.848 796 S HN 0.828 nan 8.310 nan 0.000 0.499 797 E N 1.456 121.655 120.200 -0.001 0.000 2.383 797 E HA 0.577 4.935 4.350 0.014 0.000 0.275 797 E C 0.555 177.158 176.600 0.005 0.000 0.918 797 E CA -0.402 56.002 56.400 0.005 0.000 0.764 797 E CB 1.521 31.222 29.700 0.003 0.000 1.252 797 E HN 0.619 nan 8.360 nan 0.000 0.449 798 A N 1.101 123.930 122.820 0.015 0.000 1.892 798 A HA -0.235 4.094 4.320 0.014 0.000 0.218 798 A C 2.071 179.661 177.584 0.009 0.000 1.188 798 A CA 2.702 54.748 52.037 0.015 0.000 0.631 798 A CB -1.150 17.864 19.000 0.024 0.000 0.822 798 A HN 0.716 nan 8.150 nan 0.000 0.447 799 T N -2.857 111.703 114.554 0.009 0.000 2.881 799 T HA -0.073 4.285 4.350 0.014 0.000 0.270 799 T C 0.960 175.656 174.700 -0.007 0.000 1.068 799 T CA 1.466 63.568 62.100 0.004 0.000 1.131 799 T CB -0.131 68.741 68.868 0.006 0.000 0.871 799 T HN 0.420 nan 8.240 nan 0.000 0.479 800 R N 0.561 121.054 120.500 -0.012 0.000 3.101 800 R HA 0.329 4.678 4.340 0.014 0.000 0.242 800 R C -1.292 174.993 176.300 -0.025 0.000 1.831 800 R CA -0.629 55.457 56.100 -0.023 0.000 1.321 800 R CB 0.228 30.507 30.300 -0.035 0.000 1.512 800 R HN 0.199 nan 8.270 nan 0.000 0.568 801 I N 1.649 122.206 120.570 -0.022 0.000 2.692 801 I HA 0.015 4.194 4.170 0.014 0.000 0.284 801 I C 0.451 176.546 176.117 -0.037 0.000 1.159 801 I CA 0.187 61.473 61.300 -0.024 0.000 1.423 801 I CB 0.754 38.743 38.000 -0.019 0.000 1.380 801 I HN 0.498 nan 8.210 nan 0.000 0.580 802 D N 8.409 128.784 120.400 -0.042 0.000 2.454 802 D HA 0.310 4.958 4.640 0.014 0.000 0.225 802 D C -1.853 174.400 176.300 -0.078 0.000 1.081 802 D CA -2.160 51.806 54.000 -0.058 0.000 0.864 802 D CB 1.612 42.380 40.800 -0.053 0.000 1.040 802 D HN 0.161 nan 8.370 nan 0.000 0.517 803 P HA -0.045 nan 4.420 nan 0.000 0.230 803 P C 0.812 178.017 177.300 -0.157 0.000 1.158 803 P CA 0.561 63.599 63.100 -0.103 0.000 0.769 803 P CB 0.172 31.821 31.700 -0.086 0.000 0.807 804 N N -0.345 118.257 118.700 -0.163 0.000 2.373 804 N HA 0.040 4.788 4.740 0.014 0.000 0.181 804 N C 0.343 175.659 175.510 -0.323 0.000 1.082 804 N CA -0.182 52.726 53.050 -0.236 0.000 0.885 804 N CB 0.080 38.457 38.487 -0.184 0.000 0.977 804 N HN -0.056 nan 8.380 nan 0.000 0.462 805 A N 0.386 123.065 122.820 -0.236 0.000 2.445 805 A HA 0.009 4.337 4.320 0.014 0.000 0.242 805 A C 0.547 177.919 177.584 -0.353 0.000 1.075 805 A CA -0.358 51.539 52.037 -0.233 0.000 0.777 805 A CB -0.128 18.808 19.000 -0.106 0.000 1.013 805 A HN 0.487 nan 8.150 nan 0.000 0.493 806 W N 1.621 122.669 121.300 -0.420 0.000 2.318 806 W HA -0.188 4.480 4.660 0.014 0.000 0.313 806 W C 2.214 178.137 176.519 -0.994 0.000 1.221 806 W CA 1.744 58.567 57.345 -0.870 0.000 1.266 806 W CB -0.273 28.582 29.460 -1.009 0.000 1.150 806 W HN 0.557 nan 8.180 nan 0.000 0.496 807 V N 0.797 120.579 119.914 -0.220 0.000 2.407 807 V HA -0.259 3.870 4.120 0.014 0.000 0.248 807 V C 2.103 178.269 176.094 0.120 0.000 1.055 807 V CA 2.076 64.456 62.300 0.133 0.000 1.049 807 V CB -0.322 31.622 31.823 0.203 0.000 0.662 807 V HN 0.092 nan 8.190 nan 0.000 0.455 808 E N -0.122 120.057 120.200 -0.036 0.000 2.152 808 E HA -0.137 4.221 4.350 0.014 0.000 0.192 808 E C 2.330 178.892 176.600 -0.064 0.000 0.983 808 E CA 0.877 57.259 56.400 -0.029 0.000 0.818 808 E CB -0.258 29.402 29.700 -0.068 0.000 0.758 808 E HN 0.625 nan 8.360 nan 0.000 0.467 809 R N -0.049 120.331 120.500 -0.199 0.000 2.073 809 R HA -0.111 4.237 4.340 0.014 0.000 0.234 809 R C 2.313 178.543 176.300 -0.116 0.000 1.134 809 R CA 1.355 57.315 56.100 -0.234 0.000 0.952 809 R CB -0.230 29.803 30.300 -0.446 0.000 0.850 809 R HN 0.232 nan 8.270 nan 0.000 0.433 810 W N 1.596 122.862 121.300 -0.056 0.000 2.358 810 W HA -0.102 4.567 4.660 0.014 0.000 0.303 810 W C 1.975 178.447 176.519 -0.078 0.000 1.208 810 W CA 0.769 57.967 57.345 -0.245 0.000 1.274 810 W CB -0.688 28.780 29.460 0.015 0.000 1.138 810 W HN 0.121 nan 8.180 nan 0.000 0.515 811 K N 0.112 120.727 120.400 0.358 0.000 2.002 811 K HA -0.101 4.228 4.320 0.014 0.000 0.209 811 K C 2.294 178.953 176.600 0.099 0.000 1.048 811 K CA 1.907 58.358 56.287 0.273 0.000 0.930 811 K CB -0.682 31.929 32.500 0.185 0.000 0.714 811 K HN -0.021 nan 8.250 nan 0.000 0.438 812 A N 1.029 123.878 122.820 0.048 0.000 2.019 812 A HA -0.083 4.246 4.320 0.014 0.000 0.219 812 A C 2.158 179.745 177.584 0.006 0.000 1.164 812 A CA 1.769 53.821 52.037 0.024 0.000 0.644 812 A CB -0.525 18.476 19.000 0.002 0.000 0.805 812 A HN 0.351 nan 8.150 nan 0.000 0.449 813 A N -1.991 120.805 122.820 -0.040 0.000 2.208 813 A HA 0.413 4.742 4.320 0.014 0.000 0.209 813 A C 1.784 179.324 177.584 -0.072 0.000 1.161 813 A CA 1.191 53.215 52.037 -0.022 0.000 0.782 813 A CB -0.758 18.195 19.000 -0.077 0.000 0.816 813 A HN 1.842 nan 8.150 nan 0.000 0.477 814 G N -1.436 107.214 108.800 -0.250 0.000 2.141 814 G HA2 -0.300 3.668 3.960 0.014 0.000 0.242 814 G HA3 -0.300 3.668 3.960 0.014 0.000 0.242 814 G C 0.576 175.454 174.900 -0.037 0.000 0.982 814 G CA 0.648 45.371 45.100 -0.629 0.000 0.662 814 G HN 0.748 nan 8.290 nan 0.000 0.527 815 H N -1.524 117.525 119.070 -0.036 0.000 2.387 815 H HA -0.094 4.471 4.556 0.014 0.000 0.299 815 H C 2.224 177.520 175.328 -0.053 0.000 1.099 815 H CA 1.599 57.639 56.048 -0.014 0.000 1.315 815 H CB 0.065 29.765 29.762 -0.104 0.000 1.380 815 H HN 0.591 nan 8.280 nan 0.000 0.513 816 Y N 0.514 120.935 120.300 0.202 0.000 2.395 816 Y HA -0.082 4.476 4.550 0.014 0.000 0.293 816 Y C 2.167 178.150 175.900 0.139 0.000 1.123 816 Y CA 0.749 58.932 58.100 0.139 0.000 1.227 816 Y CB 0.277 38.800 38.460 0.105 0.000 1.012 816 Y HN 0.160 nan 8.280 nan 0.000 0.552 817 Q N -0.331 119.623 119.800 0.256 0.000 2.352 817 Q HA 0.294 4.642 4.340 0.014 0.000 0.212 817 Q C 0.695 176.872 176.000 0.296 0.000 0.888 817 Q CA -0.058 55.893 55.803 0.245 0.000 0.934 817 Q CB 0.441 29.313 28.738 0.223 0.000 1.093 817 Q HN 0.279 nan 8.270 nan 0.000 0.523 818 A N 1.795 124.807 122.820 0.320 0.000 2.565 818 A HA -0.023 4.306 4.320 0.014 0.000 0.237 818 A C -0.082 177.786 177.584 0.474 0.000 1.053 818 A CA 0.432 52.724 52.037 0.425 0.000 0.755 818 A CB 0.208 19.508 19.000 0.500 0.000 0.980 818 A HN 0.137 nan 8.150 nan 0.000 0.506 819 E N 1.035 121.428 120.200 0.321 0.000 2.179 819 E HA 0.447 4.805 4.350 0.014 0.000 0.275 819 E C -0.348 176.196 176.600 -0.094 0.000 0.945 819 E CA -0.539 55.965 56.400 0.175 0.000 0.792 819 E CB 1.907 31.683 29.700 0.126 0.000 1.125 819 E HN 0.709 nan 8.360 nan 0.000 0.397 820 A N 2.513 125.164 122.820 -0.282 0.000 2.666 820 A HA 0.411 4.740 4.320 0.014 0.000 0.301 820 A C 0.295 177.725 177.584 -0.256 0.000 1.470 820 A CA -0.223 51.398 52.037 -0.693 0.000 1.159 820 A CB -0.355 18.391 19.000 -0.423 0.000 1.116 820 A HN 0.576 nan 8.150 nan 0.000 0.548 821 A N 2.550 125.228 122.820 -0.237 0.000 2.401 821 A HA 0.520 4.849 4.320 0.014 0.000 0.259 821 A C -0.030 177.486 177.584 -0.114 0.000 1.103 821 A CA -0.397 51.575 52.037 -0.109 0.000 0.789 821 A CB 0.147 19.103 19.000 -0.073 0.000 1.035 821 A HN 1.167 nan 8.150 nan 0.000 0.491 822 L N 3.064 124.211 121.223 -0.126 0.000 2.290 822 L HA 0.372 4.720 4.340 0.014 0.000 0.284 822 L C 0.488 177.241 176.870 -0.196 0.000 1.078 822 L CA 0.257 54.941 54.840 -0.261 0.000 0.815 822 L CB 0.513 42.425 42.059 -0.244 0.000 1.162 822 L HN 0.752 nan 8.230 nan 0.000 0.435 823 L N 3.382 124.472 121.223 -0.221 0.000 2.425 823 L HA 0.317 4.666 4.340 0.014 0.000 0.215 823 L C 0.424 177.232 176.870 -0.105 0.000 1.065 823 L CA 0.082 54.853 54.840 -0.116 0.000 0.842 823 L CB 0.035 42.058 42.059 -0.060 0.000 1.033 823 L HN 0.726 nan 8.230 nan 0.000 0.474 824 Q N -0.302 119.408 119.800 -0.151 0.000 2.438 824 Q HA 0.290 4.639 4.340 0.014 0.000 0.272 824 Q C -2.096 173.846 176.000 -0.097 0.000 0.994 824 Q CA -0.526 55.224 55.803 -0.088 0.000 0.887 824 Q CB 2.914 31.626 28.738 -0.043 0.000 1.432 824 Q HN 0.051 nan 8.270 nan 0.000 0.392 825 C N 3.410 122.696 119.300 -0.024 0.000 2.892 825 C HA 0.722 5.191 4.460 0.014 0.000 0.360 825 C C -0.749 174.351 174.990 0.183 0.000 1.054 825 C CA 0.456 59.504 59.018 0.049 0.000 1.326 825 C CB 0.447 28.200 27.740 0.022 0.000 1.806 825 C HN 0.815 nan 8.230 nan 0.000 0.490 826 T N 2.343 116.960 114.554 0.105 0.000 2.916 826 T HA 0.906 5.264 4.350 0.014 0.000 0.292 826 T C -0.461 174.059 174.700 -0.300 0.000 1.055 826 T CA -0.323 61.789 62.100 0.020 0.000 1.009 826 T CB 1.979 70.830 68.868 -0.028 0.000 1.118 826 T HN 1.588 nan 8.240 nan 0.000 0.497 827 A N 1.579 124.036 122.820 -0.604 0.000 2.374 827 A HA 0.731 5.060 4.320 0.014 0.000 0.305 827 A C -1.173 176.161 177.584 -0.417 0.000 1.053 827 A CA -0.762 50.808 52.037 -0.777 0.000 0.726 827 A CB 1.227 19.343 19.000 -1.473 0.000 1.229 827 A HN 0.877 nan 8.150 nan 0.000 0.431 828 D N 1.215 121.434 120.400 -0.301 0.000 2.780 828 D HA 0.466 5.115 4.640 0.014 0.000 0.242 828 D C -0.873 175.330 176.300 -0.162 0.000 1.135 828 D CA 0.010 53.897 54.000 -0.188 0.000 0.859 828 D CB 2.370 43.091 40.800 -0.132 0.000 1.530 828 D HN 0.414 nan 8.370 nan 0.000 0.493 829 T N 2.064 116.544 114.554 -0.124 0.000 2.799 829 T HA 0.505 4.864 4.350 0.014 0.000 0.286 829 T C 0.513 175.169 174.700 -0.073 0.000 0.973 829 T CA -0.419 61.623 62.100 -0.098 0.000 1.035 829 T CB 0.937 69.754 68.868 -0.085 0.000 0.932 829 T HN 0.115 nan 8.240 nan 0.000 0.469 830 L N 1.297 122.483 121.223 -0.061 0.000 2.267 830 L HA 0.624 4.973 4.340 0.014 0.000 0.264 830 L C 2.007 178.858 176.870 -0.031 0.000 1.021 830 L CA -1.338 53.475 54.840 -0.046 0.000 0.861 830 L CB 0.289 42.320 42.059 -0.046 0.000 1.443 830 L HN 0.690 nan 8.230 nan 0.000 0.475 831 A N 0.772 123.577 122.820 -0.025 0.000 1.869 831 A HA -0.219 4.110 4.320 0.014 0.000 0.218 831 A C 1.152 178.730 177.584 -0.010 0.000 1.203 831 A CA 2.474 54.501 52.037 -0.016 0.000 0.638 831 A CB -0.570 18.420 19.000 -0.016 0.000 0.831 831 A HN 0.932 nan 8.150 nan 0.000 0.450 832 D N -2.557 117.834 120.400 -0.014 0.000 2.673 832 D HA 0.563 5.211 4.640 0.014 0.000 0.278 832 D C -0.136 176.155 176.300 -0.016 0.000 1.393 832 D CA 0.652 54.646 54.000 -0.010 0.000 0.805 832 D CB -0.170 40.620 40.800 -0.016 0.000 1.110 832 D HN 0.607 nan 8.370 nan 0.000 0.476 833 A N -0.666 122.137 122.820 -0.027 0.000 2.564 833 A HA 0.612 4.940 4.320 0.014 0.000 0.291 833 A C -1.771 175.773 177.584 -0.066 0.000 1.102 833 A CA -0.679 51.328 52.037 -0.049 0.000 0.660 833 A CB 1.467 20.432 19.000 -0.058 0.000 1.283 833 A HN 0.019 nan 8.150 nan 0.000 0.430 834 V N 0.641 120.495 119.914 -0.099 0.000 2.459 834 V HA 0.624 4.752 4.120 0.014 0.000 0.295 834 V C -0.948 175.052 176.094 -0.157 0.000 1.029 834 V CA -0.420 61.802 62.300 -0.130 0.000 0.874 834 V CB 1.332 33.077 31.823 -0.130 0.000 0.985 834 V HN 0.839 nan 8.190 nan 0.000 0.438 835 L N 6.595 127.715 121.223 -0.172 0.000 2.325 835 L HA 0.635 4.984 4.340 0.014 0.000 0.281 835 L C -0.789 175.939 176.870 -0.237 0.000 1.004 835 L CA 0.010 54.755 54.840 -0.160 0.000 0.823 835 L CB 1.218 43.211 42.059 -0.109 0.000 1.236 835 L HN 0.410 nan 8.230 nan 0.000 0.415 836 I N 4.199 124.617 120.570 -0.253 0.000 2.354 836 I HA 0.413 4.592 4.170 0.014 0.000 0.292 836 I C -0.018 176.048 176.117 -0.085 0.000 0.989 836 I CA -0.225 60.871 61.300 -0.340 0.000 1.188 836 I CB 1.496 39.029 38.000 -0.779 0.000 1.342 836 I HN 0.561 nan 8.210 nan 0.000 0.457 837 T N 4.778 119.291 114.554 -0.068 0.000 2.807 837 T HA 0.634 4.993 4.350 0.014 0.000 0.279 837 T C 0.204 174.938 174.700 0.057 0.000 0.993 837 T CA -0.547 61.566 62.100 0.022 0.000 0.970 837 T CB 1.820 70.681 68.868 -0.011 0.000 0.950 837 T HN 0.767 nan 8.240 nan 0.000 0.441 838 T N -0.631 113.997 114.554 0.124 0.000 2.906 838 T HA 0.863 5.222 4.350 0.014 0.000 0.295 838 T C -1.106 173.634 174.700 0.067 0.000 1.075 838 T CA -1.060 61.088 62.100 0.080 0.000 1.005 838 T CB 1.979 70.950 68.868 0.171 0.000 1.136 838 T HN 0.783 nan 8.240 nan 0.000 0.498 839 A N 1.613 124.393 122.820 -0.066 0.000 2.427 839 A HA 0.777 5.106 4.320 0.014 0.000 0.298 839 A C -1.367 176.108 177.584 -0.182 0.000 1.036 839 A CA -0.772 51.267 52.037 0.003 0.000 0.701 839 A CB 0.900 19.913 19.000 0.022 0.000 1.250 839 A HN 1.013 nan 8.150 nan 0.000 0.412 840 H N 0.013 119.137 119.070 0.091 0.000 2.821 840 H HA 0.773 5.337 4.556 0.014 0.000 0.373 840 H C -0.117 175.234 175.328 0.038 0.000 1.165 840 H CA 0.208 56.228 56.048 -0.046 0.000 1.154 840 H CB 2.186 31.846 29.762 -0.170 0.000 1.765 840 H HN 0.982 nan 8.280 nan 0.000 0.549 841 A N 1.905 124.746 122.820 0.035 0.000 2.343 841 A HA 0.386 4.714 4.320 0.014 0.000 0.316 841 A C -1.327 176.254 177.584 -0.006 0.000 1.104 841 A CA -0.696 51.420 52.037 0.131 0.000 0.768 841 A CB 1.025 20.071 19.000 0.077 0.000 1.213 841 A HN 0.563 nan 8.150 nan 0.000 0.456 842 W N 1.976 123.382 121.300 0.176 0.000 2.390 842 W HA 0.448 5.117 4.660 0.014 0.000 0.312 842 W C -0.235 176.311 176.519 0.044 0.000 1.123 842 W CA -0.045 57.397 57.345 0.161 0.000 1.202 842 W CB 1.604 31.206 29.460 0.236 0.000 1.251 842 W HN 0.758 nan 8.180 nan 0.000 0.511 843 Q N 1.513 121.437 119.800 0.207 0.000 2.484 843 Q HA 0.416 4.764 4.340 0.014 0.000 0.285 843 Q C -1.040 175.095 176.000 0.226 0.000 1.097 843 Q CA -0.907 54.986 55.803 0.150 0.000 0.802 843 Q CB 3.672 32.459 28.738 0.081 0.000 1.444 843 Q HN 0.420 nan 8.270 nan 0.000 0.429 844 H N 1.425 120.532 119.070 0.062 0.000 2.934 844 H HA 0.075 4.640 4.556 0.014 0.000 0.340 844 H C -0.794 174.568 175.328 0.056 0.000 1.008 844 H CA -0.246 55.848 56.048 0.077 0.000 1.317 844 H CB 1.156 30.975 29.762 0.095 0.000 1.670 844 H HN 0.633 nan 8.280 nan 0.000 0.516 845 Q N 2.947 122.477 119.800 -0.449 0.000 2.461 845 Q HA -0.189 4.159 4.340 0.014 0.000 0.273 845 Q C 1.095 177.037 176.000 -0.097 0.000 1.163 845 Q CA 1.609 57.236 55.803 -0.293 0.000 0.929 845 Q CB -1.879 26.695 28.738 -0.274 0.000 1.334 845 Q HN 1.199 nan 8.270 nan 0.000 0.499 846 G N -1.392 107.380 108.800 -0.046 0.000 2.199 846 G HA2 -0.382 3.587 3.960 0.014 0.000 0.254 846 G HA3 -0.382 3.587 3.960 0.014 0.000 0.254 846 G C 0.102 175.010 174.900 0.012 0.000 0.982 846 G CA 0.535 45.629 45.100 -0.011 0.000 0.632 846 G HN 0.493 nan 8.290 nan 0.000 0.529 847 K N 1.460 121.879 120.400 0.031 0.000 2.183 847 K HA 0.635 4.963 4.320 0.014 0.000 0.274 847 K C 0.011 176.632 176.600 0.035 0.000 1.009 847 K CA -0.130 56.179 56.287 0.037 0.000 0.888 847 K CB 0.932 33.466 32.500 0.055 0.000 1.078 847 K HN -0.016 nan 8.250 nan 0.000 0.459 848 T N 6.101 120.665 114.554 0.017 0.000 2.727 848 T HA 0.189 4.548 4.350 0.014 0.000 0.295 848 T C 1.072 175.727 174.700 -0.076 0.000 0.915 848 T CA -0.319 61.787 62.100 0.010 0.000 1.066 848 T CB 0.269 69.158 68.868 0.034 0.000 0.891 848 T HN 0.552 nan 8.240 nan 0.000 0.516 849 L N 2.547 123.640 121.223 -0.217 0.000 2.102 849 L HA 0.300 4.649 4.340 0.014 0.000 0.202 849 L C -0.186 176.249 176.870 -0.725 0.000 1.076 849 L CA 0.882 55.334 54.840 -0.647 0.000 0.761 849 L CB 0.048 41.329 42.059 -1.298 0.000 0.921 849 L HN 0.500 nan 8.230 nan 0.000 0.444 850 F N -1.000 118.908 119.950 -0.069 0.000 2.591 850 F HA 0.556 5.091 4.527 0.014 0.000 0.309 850 F C -0.481 175.409 175.800 0.151 0.000 1.098 850 F CA -0.959 56.936 58.000 -0.175 0.000 0.937 850 F CB 1.423 39.894 39.000 -0.882 0.000 1.250 850 F HN -0.302 nan 8.300 nan 0.000 0.447 851 I N 1.570 122.350 120.570 0.349 0.000 2.465 851 I HA 0.469 4.648 4.170 0.014 0.000 0.291 851 I C -0.586 175.794 176.117 0.438 0.000 1.014 851 I CA -0.587 60.951 61.300 0.397 0.000 1.093 851 I CB 2.171 40.317 38.000 0.244 0.000 1.267 851 I HN 0.592 nan 8.210 nan 0.000 0.431 852 S N 6.674 122.730 115.700 0.594 0.000 2.498 852 S HA 0.574 5.052 4.470 0.014 0.000 0.317 852 S C -0.684 174.157 174.600 0.401 0.000 1.090 852 S CA -0.707 57.805 58.200 0.521 0.000 1.089 852 S CB 0.734 64.370 63.200 0.727 0.000 0.997 852 S HN 0.549 nan 8.310 nan 0.000 0.470 853 R N 3.443 124.101 120.500 0.265 0.000 2.387 853 R HA 0.574 4.922 4.340 0.014 0.000 0.314 853 R C -0.643 175.733 176.300 0.127 0.000 0.958 853 R CA -0.748 55.463 56.100 0.185 0.000 0.846 853 R CB 1.732 32.114 30.300 0.136 0.000 1.147 853 R HN 0.564 nan 8.270 nan 0.000 0.447 854 K N 0.812 121.281 120.400 0.114 0.000 2.480 854 K HA 0.483 4.812 4.320 0.014 0.000 0.258 854 K C -0.822 175.771 176.600 -0.012 0.000 0.990 854 K CA -0.901 55.385 56.287 -0.002 0.000 0.857 854 K CB 2.610 35.094 32.500 -0.027 0.000 1.384 854 K HN 0.650 nan 8.250 nan 0.000 0.446 855 T N -1.501 112.977 114.554 -0.126 0.000 2.912 855 T HA 0.557 4.915 4.350 0.014 0.000 0.299 855 T C -1.359 173.236 174.700 -0.175 0.000 1.052 855 T CA -0.771 61.298 62.100 -0.052 0.000 0.996 855 T CB 0.577 69.431 68.868 -0.023 0.000 1.070 855 T HN 0.385 nan 8.240 nan 0.000 0.465 856 Y N 0.771 121.045 120.300 -0.043 0.000 2.326 856 Y HA 0.615 5.174 4.550 0.014 0.000 0.331 856 Y C 0.444 176.284 175.900 -0.100 0.000 0.962 856 Y CA -1.163 56.928 58.100 -0.016 0.000 1.167 856 Y CB 1.764 40.255 38.460 0.051 0.000 1.148 856 Y HN 0.663 nan 8.280 nan 0.000 0.463 857 R N 4.446 124.976 120.500 0.050 0.000 2.275 857 R HA 0.616 4.964 4.340 0.014 0.000 0.326 857 R C -1.499 174.755 176.300 -0.077 0.000 0.973 857 R CA -0.369 55.714 56.100 -0.029 0.000 0.854 857 R CB 0.421 30.710 30.300 -0.019 0.000 1.156 857 R HN 0.774 nan 8.270 nan 0.000 0.487 858 I N 5.253 125.716 120.570 -0.179 0.000 2.330 858 I HA 0.174 4.352 4.170 0.014 0.000 0.289 858 I C -0.129 175.864 176.117 -0.207 0.000 1.001 858 I CA -0.601 60.504 61.300 -0.325 0.000 1.193 858 I CB 1.321 38.914 38.000 -0.679 0.000 1.345 858 I HN 0.687 nan 8.210 nan 0.000 0.461 859 D N 4.419 124.744 120.400 -0.126 0.000 2.569 859 D HA 0.241 4.889 4.640 0.014 0.000 0.266 859 D C 1.204 177.498 176.300 -0.010 0.000 1.164 859 D CA -0.748 53.220 54.000 -0.054 0.000 1.071 859 D CB 0.848 41.634 40.800 -0.023 0.000 1.183 859 D HN 0.459 nan 8.370 nan 0.000 0.613 860 G N -1.332 107.476 108.800 0.013 0.000 2.625 860 G HA2 -0.136 3.833 3.960 0.014 0.000 0.214 860 G HA3 -0.136 3.833 3.960 0.014 0.000 0.214 860 G C 1.146 176.108 174.900 0.104 0.000 1.132 860 G CA 0.975 46.108 45.100 0.056 0.000 0.782 860 G HN 0.536 nan 8.290 nan 0.000 0.538 861 S N -1.157 114.592 115.700 0.081 0.000 2.548 861 S HA 0.374 4.853 4.470 0.014 0.000 0.215 861 S C 1.832 176.522 174.600 0.149 0.000 0.976 861 S CA 0.951 59.224 58.200 0.122 0.000 0.908 861 S CB 0.085 63.337 63.200 0.086 0.000 0.781 861 S HN 1.389 nan 8.310 nan 0.000 0.519 862 G N 0.542 109.436 108.800 0.156 0.000 2.175 862 G HA2 -0.221 3.747 3.960 0.014 0.000 0.244 862 G HA3 -0.221 3.747 3.960 0.014 0.000 0.244 862 G C -0.203 174.851 174.900 0.257 0.000 0.982 862 G CA 0.055 45.316 45.100 0.268 0.000 0.641 862 G HN 0.613 nan 8.290 nan 0.000 0.527 863 Q N -0.373 119.511 119.800 0.140 0.000 2.235 863 Q HA 0.648 4.997 4.340 0.014 0.000 0.250 863 Q C 0.156 176.196 176.000 0.067 0.000 0.909 863 Q CA -0.347 55.541 55.803 0.141 0.000 0.910 863 Q CB 1.627 30.436 28.738 0.118 0.000 1.223 863 Q HN 0.413 nan 8.270 nan 0.000 0.432 864 M N 2.125 121.806 119.600 0.134 0.000 2.044 864 M HA 0.465 4.953 4.480 0.014 0.000 0.333 864 M C -1.300 175.104 176.300 0.174 0.000 1.004 864 M CA -0.462 54.891 55.300 0.089 0.000 0.954 864 M CB 0.793 33.482 32.600 0.147 0.000 1.468 864 M HN 0.705 nan 8.290 nan 0.000 0.414 865 A N 6.817 129.702 122.820 0.107 0.000 2.309 865 A HA 0.638 4.966 4.320 0.014 0.000 0.290 865 A C -0.629 176.997 177.584 0.070 0.000 1.206 865 A CA -0.539 51.562 52.037 0.106 0.000 0.850 865 A CB 0.036 19.078 19.000 0.069 0.000 1.118 865 A HN 0.920 nan 8.150 nan 0.000 0.523 866 I N 2.277 122.879 120.570 0.053 0.000 2.377 866 I HA 0.342 4.520 4.170 0.014 0.000 0.293 866 I C -0.074 175.949 176.117 -0.157 0.000 0.987 866 I CA -0.224 61.004 61.300 -0.120 0.000 1.185 866 I CB 2.081 40.023 38.000 -0.096 0.000 1.341 866 I HN 0.492 nan 8.210 nan 0.000 0.455 867 T N 5.636 120.058 114.554 -0.220 0.000 2.792 867 T HA 0.569 4.928 4.350 0.014 0.000 0.280 867 T C -0.353 174.162 174.700 -0.309 0.000 0.990 867 T CA -0.476 61.500 62.100 -0.206 0.000 0.960 867 T CB 1.874 70.713 68.868 -0.048 0.000 0.939 867 T HN 0.224 nan 8.240 nan 0.000 0.439 868 V N 3.403 123.009 119.914 -0.514 0.000 2.588 868 V HA 0.499 4.627 4.120 0.014 0.000 0.304 868 V C -0.834 175.103 176.094 -0.260 0.000 1.042 868 V CA -0.927 61.097 62.300 -0.459 0.000 0.877 868 V CB 2.167 33.428 31.823 -0.936 0.000 0.996 868 V HN 0.847 nan 8.190 nan 0.000 0.425 869 D N 3.182 123.587 120.400 0.009 0.000 2.505 869 D HA 0.517 5.165 4.640 0.014 0.000 0.250 869 D C -1.014 175.406 176.300 0.200 0.000 1.164 869 D CA -0.085 54.013 54.000 0.163 0.000 0.870 869 D CB 2.657 43.572 40.800 0.192 0.000 1.160 869 D HN 0.243 nan 8.370 nan 0.000 0.549 870 V N 2.288 122.357 119.914 0.257 0.000 2.628 870 V HA 0.293 4.421 4.120 0.014 0.000 0.306 870 V C 0.101 176.337 176.094 0.237 0.000 1.045 870 V CA -0.686 61.781 62.300 0.278 0.000 0.905 870 V CB 2.514 34.544 31.823 0.344 0.000 0.997 870 V HN 0.354 nan 8.190 nan 0.000 0.436 871 E N 2.428 122.754 120.200 0.210 0.000 2.171 871 E HA 0.610 4.968 4.350 0.014 0.000 0.271 871 E C -1.529 175.182 176.600 0.186 0.000 0.916 871 E CA -0.516 55.987 56.400 0.170 0.000 0.774 871 E CB 2.462 32.248 29.700 0.143 0.000 1.128 871 E HN 0.405 nan 8.360 nan 0.000 0.403 872 V N 2.165 122.194 119.914 0.191 0.000 2.487 872 V HA 0.361 4.489 4.120 0.014 0.000 0.298 872 V C 0.077 176.265 176.094 0.156 0.000 1.028 872 V CA -0.959 61.477 62.300 0.227 0.000 0.860 872 V CB 1.556 33.551 31.823 0.288 0.000 0.991 872 V HN 0.837 nan 8.190 nan 0.000 0.427 873 A N 3.449 126.321 122.820 0.085 0.000 2.566 873 A HA 0.237 4.565 4.320 0.014 0.000 0.245 873 A C 1.631 179.285 177.584 0.117 0.000 1.056 873 A CA 0.658 52.734 52.037 0.065 0.000 0.757 873 A CB 0.177 19.178 19.000 0.001 0.000 0.979 873 A HN 1.386 nan 8.150 nan 0.000 0.508 874 S N 1.348 117.113 115.700 0.109 0.000 2.419 874 S HA -0.169 4.309 4.470 0.014 0.000 0.233 874 S C 0.948 175.630 174.600 0.137 0.000 1.016 874 S CA 1.349 59.633 58.200 0.140 0.000 0.974 874 S CB -0.304 62.959 63.200 0.104 0.000 0.786 874 S HN 0.838 nan 8.310 nan 0.000 0.492 875 D N 0.316 120.771 120.400 0.092 0.000 2.339 875 D HA 0.124 4.773 4.640 0.014 0.000 0.217 875 D C 0.587 176.925 176.300 0.065 0.000 1.050 875 D CA 0.099 54.138 54.000 0.064 0.000 0.856 875 D CB -0.523 40.302 40.800 0.042 0.000 0.922 875 D HN 0.313 nan 8.370 nan 0.000 0.518 876 T N 1.496 116.113 114.554 0.104 0.000 2.909 876 T HA 0.358 4.717 4.350 0.014 0.000 0.286 876 T C -2.560 172.259 174.700 0.197 0.000 1.002 876 T CA -1.915 60.276 62.100 0.153 0.000 1.074 876 T CB 1.065 70.029 68.868 0.161 0.000 0.984 876 T HN -0.135 nan 8.240 nan 0.000 0.495 877 P HA 0.077 nan 4.420 nan 0.000 0.265 877 P C -0.537 177.080 177.300 0.528 0.000 1.193 877 P CA 0.122 63.342 63.100 0.201 0.000 0.765 877 P CB -0.039 31.784 31.700 0.205 0.000 0.823 878 H N 3.784 123.239 119.070 0.641 0.000 3.001 878 H HA 0.059 4.623 4.556 0.014 0.000 0.334 878 H C -1.553 174.119 175.328 0.574 0.000 1.034 878 H CA -1.261 55.090 56.048 0.506 0.000 1.420 878 H CB -0.399 29.595 29.762 0.387 0.000 1.405 878 H HN 0.381 nan 8.280 nan 0.000 0.593 879 P HA 0.017 nan 4.420 nan 0.000 0.274 879 P C 0.089 177.277 177.300 -0.187 0.000 1.237 879 P CA -0.292 62.872 63.100 0.107 0.000 0.793 879 P CB 1.120 32.733 31.700 -0.145 0.000 0.977 880 A N 3.215 125.648 122.820 -0.646 0.000 1.969 880 A HA -0.100 4.229 4.320 0.014 0.000 0.218 880 A C 1.069 178.256 177.584 -0.662 0.000 1.169 880 A CA 1.323 52.953 52.037 -0.678 0.000 0.635 880 A CB -0.528 17.866 19.000 -1.010 0.000 0.810 880 A HN 0.751 nan 8.150 nan 0.000 0.445 881 R N -2.836 117.310 120.500 -0.589 0.000 2.733 881 R HA 0.747 5.095 4.340 0.014 0.000 0.272 881 R C -1.671 174.376 176.300 -0.423 0.000 1.029 881 R CA -0.814 54.965 56.100 -0.535 0.000 0.888 881 R CB 0.896 30.847 30.300 -0.582 0.000 1.251 881 R HN -0.004 nan 8.270 nan 0.000 0.464 882 I N 1.147 121.505 120.570 -0.353 0.000 2.493 882 I HA 0.631 4.810 4.170 0.014 0.000 0.279 882 I C -0.427 175.470 176.117 -0.367 0.000 1.045 882 I CA -0.324 60.796 61.300 -0.300 0.000 1.106 882 I CB 1.852 39.746 38.000 -0.178 0.000 1.216 882 I HN 0.971 nan 8.210 nan 0.000 0.459 883 G N 5.950 114.469 108.800 -0.469 0.000 2.650 883 G HA2 0.741 4.709 3.960 0.014 0.000 0.310 883 G HA3 0.741 4.709 3.960 0.014 0.000 0.310 883 G C -1.705 173.032 174.900 -0.272 0.000 1.270 883 G CA -0.574 44.297 45.100 -0.381 0.000 0.810 883 G HN 0.270 nan 8.290 nan 0.000 0.493 884 L N 0.860 121.967 121.223 -0.193 0.000 2.333 884 L HA 0.644 4.992 4.340 0.014 0.000 0.263 884 L C -0.885 175.884 176.870 -0.169 0.000 1.014 884 L CA -1.163 53.593 54.840 -0.141 0.000 0.820 884 L CB 2.509 44.564 42.059 -0.007 0.000 1.352 884 L HN 0.794 nan 8.230 nan 0.000 0.421 885 N N 0.763 119.389 118.700 -0.122 0.000 2.396 885 N HA 0.702 5.451 4.740 0.014 0.000 0.275 885 N C -1.264 174.253 175.510 0.011 0.000 1.218 885 N CA -0.540 52.476 53.050 -0.057 0.000 0.812 885 N CB 2.371 40.843 38.487 -0.025 0.000 1.592 885 N HN 0.837 nan 8.380 nan 0.000 0.480 886 C N -1.001 118.315 119.300 0.026 0.000 3.312 886 C HA 0.594 5.062 4.460 0.014 0.000 0.332 886 C C -1.014 173.766 174.990 -0.351 0.000 1.340 886 C CA -0.869 58.103 59.018 -0.076 0.000 1.265 886 C CB 1.022 28.751 27.740 -0.018 0.000 1.563 886 C HN 0.855 nan 8.230 nan 0.000 0.471 887 Q N 1.411 120.765 119.800 -0.744 0.000 2.372 887 Q HA 0.668 5.017 4.340 0.014 0.000 0.259 887 Q C -1.067 174.626 176.000 -0.510 0.000 0.993 887 Q CA -0.417 54.711 55.803 -1.126 0.000 0.854 887 Q CB 0.826 28.560 28.738 -1.674 0.000 1.231 887 Q HN 0.770 nan 8.270 nan 0.000 0.462 888 L N 2.618 123.648 121.223 -0.320 0.000 2.395 888 L HA 0.324 4.672 4.340 0.014 0.000 0.269 888 L C 1.185 177.995 176.870 -0.100 0.000 1.133 888 L CA -0.254 54.528 54.840 -0.097 0.000 0.812 888 L CB 0.893 43.005 42.059 0.088 0.000 1.125 888 L HN 0.822 nan 8.230 nan 0.000 0.452 889 A N 1.709 124.498 122.820 -0.051 0.000 1.968 889 A HA -0.118 4.211 4.320 0.014 0.000 0.217 889 A C 1.165 178.745 177.584 -0.007 0.000 1.169 889 A CA 0.601 52.603 52.037 -0.058 0.000 0.638 889 A CB -0.304 18.654 19.000 -0.070 0.000 0.812 889 A HN 0.779 nan 8.150 nan 0.000 0.446 890 Q N 0.040 119.876 119.800 0.060 0.000 2.361 890 Q HA 0.344 4.693 4.340 0.014 0.000 0.276 890 Q C -1.062 174.989 176.000 0.085 0.000 1.022 890 Q CA 0.612 56.447 55.803 0.053 0.000 0.898 890 Q CB 0.611 29.421 28.738 0.121 0.000 1.246 890 Q HN 0.156 nan 8.270 nan 0.000 0.410 891 V N 3.706 123.625 119.914 0.008 0.000 2.409 891 V HA 0.793 4.921 4.120 0.014 0.000 0.290 891 V C -0.636 175.417 176.094 -0.069 0.000 1.017 891 V CA -0.227 62.105 62.300 0.053 0.000 0.841 891 V CB 1.054 32.895 31.823 0.030 0.000 1.003 891 V HN 0.901 nan 8.190 nan 0.000 0.426 892 A N 3.094 125.815 122.820 -0.166 0.000 2.354 892 A HA 0.751 5.080 4.320 0.014 0.000 0.321 892 A C 0.835 178.411 177.584 -0.014 0.000 1.125 892 A CA -0.155 51.724 52.037 -0.264 0.000 0.799 892 A CB 1.592 20.203 19.000 -0.649 0.000 1.293 892 A HN 0.918 nan 8.150 nan 0.000 0.452 893 E N 0.568 120.763 120.200 -0.009 0.000 2.107 893 E HA -0.058 4.300 4.350 0.014 0.000 0.191 893 E C 0.391 177.058 176.600 0.111 0.000 0.982 893 E CA 0.862 57.291 56.400 0.049 0.000 0.809 893 E CB 0.117 29.831 29.700 0.023 0.000 0.756 893 E HN 0.525 nan 8.360 nan 0.000 0.459 894 R N 0.158 120.731 120.500 0.122 0.000 2.832 894 R HA 0.535 4.884 4.340 0.014 0.000 0.271 894 R C -1.107 175.372 176.300 0.299 0.000 0.996 894 R CA -1.012 55.197 56.100 0.180 0.000 0.977 894 R CB 2.010 32.388 30.300 0.130 0.000 1.168 894 R HN -0.037 nan 8.270 nan 0.000 0.482 895 V N 2.044 122.148 119.914 0.318 0.000 2.483 895 V HA 0.329 4.458 4.120 0.014 0.000 0.297 895 V C -0.305 176.060 176.094 0.452 0.000 1.027 895 V CA -0.922 61.605 62.300 0.377 0.000 0.855 895 V CB 1.752 33.745 31.823 0.283 0.000 0.995 895 V HN 0.662 nan 8.190 nan 0.000 0.424 896 N N 4.824 123.762 118.700 0.396 0.000 2.354 896 N HA 0.513 5.262 4.740 0.014 0.000 0.287 896 N C -1.315 174.443 175.510 0.413 0.000 1.016 896 N CA -0.443 52.809 53.050 0.337 0.000 0.871 896 N CB 2.517 41.100 38.487 0.160 0.000 1.299 896 N HN 0.811 nan 8.380 nan 0.000 0.482 897 W N 3.335 124.668 121.300 0.054 0.000 3.107 897 W HA 0.593 5.261 4.660 0.014 0.000 0.331 897 W C -1.982 174.498 176.519 -0.065 0.000 1.204 897 W CA -1.165 56.186 57.345 0.010 0.000 1.184 897 W CB 0.757 30.250 29.460 0.055 0.000 1.421 897 W HN 0.224 nan 8.180 nan 0.000 0.544 898 L N 4.281 125.481 121.223 -0.039 0.000 2.277 898 L HA 0.915 5.264 4.340 0.014 0.000 0.284 898 L C 0.018 176.694 176.870 -0.322 0.000 1.028 898 L CA 0.361 54.989 54.840 -0.354 0.000 0.835 898 L CB 0.614 42.562 42.059 -0.184 0.000 1.215 898 L HN 0.995 nan 8.230 nan 0.000 0.425 899 G N 3.797 112.234 108.800 -0.605 0.000 2.335 899 G HA2 0.195 4.163 3.960 0.014 0.000 0.291 899 G HA3 0.195 4.163 3.960 0.014 0.000 0.291 899 G C -1.663 173.220 174.900 -0.028 0.000 1.261 899 G CA -1.046 43.941 45.100 -0.189 0.000 0.871 899 G HN 0.451 nan 8.290 nan 0.000 0.491 900 L N 1.061 122.424 121.223 0.235 0.000 2.380 900 L HA 0.618 4.967 4.340 0.014 0.000 0.273 900 L C 1.065 178.030 176.870 0.158 0.000 1.138 900 L CA 0.736 55.685 54.840 0.182 0.000 0.832 900 L CB 0.711 42.833 42.059 0.104 0.000 1.124 900 L HN 1.186 nan 8.230 nan 0.000 0.454 901 G N 2.868 111.534 108.800 -0.223 0.000 2.427 901 G HA2 0.259 4.227 3.960 0.014 0.000 0.306 901 G HA3 0.259 4.227 3.960 0.014 0.000 0.306 901 G C -2.767 171.319 174.900 -1.357 0.000 1.280 901 G CA -0.283 44.374 45.100 -0.739 0.000 0.837 901 G HN 0.308 nan 8.290 nan 0.000 0.482 902 P HA 0.099 nan 4.420 nan 0.000 0.235 902 P C 0.480 177.583 177.300 -0.329 0.000 1.177 902 P CA 0.578 63.056 63.100 -1.037 0.000 0.785 902 P CB 0.505 31.735 31.700 -0.784 0.000 0.885 903 Q N 0.436 120.037 119.800 -0.332 0.000 2.316 903 Q HA 0.163 4.512 4.340 0.014 0.000 0.215 903 Q C 0.368 176.257 176.000 -0.185 0.000 1.020 903 Q CA -0.666 55.021 55.803 -0.193 0.000 0.970 903 Q CB 0.635 29.281 28.738 -0.153 0.000 1.187 903 Q HN 0.104 nan 8.270 nan 0.000 0.546 904 E N 1.145 121.244 120.200 -0.167 0.000 2.568 904 E HA -0.117 4.241 4.350 0.014 0.000 0.262 904 E C -1.147 175.366 176.600 -0.146 0.000 0.961 904 E CA 0.302 56.589 56.400 -0.187 0.000 0.945 904 E CB 0.246 29.906 29.700 -0.066 0.000 0.924 904 E HN 0.584 nan 8.360 nan 0.000 0.467 905 N N 2.640 121.178 118.700 -0.270 0.000 2.308 905 N HA 0.329 5.077 4.740 0.014 0.000 0.283 905 N C -1.843 173.443 175.510 -0.374 0.000 1.105 905 N CA -0.676 52.266 53.050 -0.181 0.000 0.840 905 N CB 0.757 39.163 38.487 -0.135 0.000 1.633 905 N HN 0.245 nan 8.380 nan 0.000 0.476 906 Y N 0.133 120.340 120.300 -0.154 0.000 2.633 906 Y HA 0.516 5.074 4.550 0.014 0.000 0.339 906 Y C -1.661 174.168 175.900 -0.119 0.000 1.045 906 Y CA -2.073 55.922 58.100 -0.175 0.000 1.098 906 Y CB 1.912 40.262 38.460 -0.183 0.000 1.296 906 Y HN 0.432 nan 8.280 nan 0.000 0.494 907 P HA -0.160 nan 4.420 nan 0.000 0.215 907 P C 0.439 177.655 177.300 -0.140 0.000 1.153 907 P CA 2.116 65.275 63.100 0.098 0.000 0.853 907 P CB 0.205 32.078 31.700 0.289 0.000 0.788 908 D N -2.236 117.832 120.400 -0.553 0.000 2.328 908 D HA -0.014 4.635 4.640 0.014 0.000 0.221 908 D C 0.766 176.900 176.300 -0.277 0.000 1.072 908 D CA 0.175 53.621 54.000 -0.923 0.000 0.850 908 D CB -0.245 39.790 40.800 -1.276 0.000 0.922 908 D HN 0.115 nan 8.370 nan 0.000 0.516 909 R N 0.932 121.377 120.500 -0.092 0.000 2.627 909 R HA 0.196 4.545 4.340 0.014 0.000 0.251 909 R C -0.573 175.756 176.300 0.049 0.000 1.524 909 R CA -0.148 55.962 56.100 0.018 0.000 1.606 909 R CB 0.080 30.393 30.300 0.023 0.000 1.396 909 R HN 0.098 nan 8.270 nan 0.000 0.724 910 L N -2.029 119.231 121.223 0.061 0.000 3.410 910 L HA 0.338 4.686 4.340 0.014 0.000 0.309 910 L C 1.308 178.234 176.870 0.094 0.000 1.254 910 L CA 0.023 54.898 54.840 0.059 0.000 1.048 910 L CB 0.174 42.259 42.059 0.043 0.000 1.442 910 L HN 0.054 nan 8.230 nan 0.000 0.615 911 T N -2.709 111.928 114.554 0.139 0.000 2.867 911 T HA 0.021 4.379 4.350 0.014 0.000 0.268 911 T C 1.762 176.508 174.700 0.076 0.000 1.057 911 T CA 1.284 63.492 62.100 0.180 0.000 1.136 911 T CB -0.285 68.751 68.868 0.280 0.000 0.874 911 T HN 0.385 nan 8.240 nan 0.000 0.466 912 A N 1.561 124.427 122.820 0.077 0.000 2.067 912 A HA 0.665 4.994 4.320 0.014 0.000 0.217 912 A C 1.632 179.278 177.584 0.104 0.000 1.156 912 A CA 0.464 52.485 52.037 -0.027 0.000 0.683 912 A CB -0.893 18.247 19.000 0.233 0.000 0.808 912 A HN 0.820 nan 8.150 nan 0.000 0.455 913 A N -1.041 121.797 122.820 0.030 0.000 2.386 913 A HA 0.439 4.767 4.320 0.014 0.000 0.248 913 A C 0.043 177.634 177.584 0.011 0.000 1.082 913 A CA -0.008 52.004 52.037 -0.042 0.000 0.789 913 A CB -0.142 18.827 19.000 -0.052 0.000 1.025 913 A HN 0.487 nan 8.150 nan 0.000 0.490 914 C N 0.485 119.784 119.300 -0.001 0.000 2.493 914 C HA 0.542 5.010 4.460 0.014 0.000 0.326 914 C C -0.107 174.975 174.990 0.153 0.000 1.200 914 C CA -0.492 58.585 59.018 0.097 0.000 1.739 914 C CB 0.793 28.614 27.740 0.134 0.000 2.300 914 C HN 0.786 nan 8.230 nan 0.000 0.500 915 F N 3.705 123.494 119.950 -0.269 0.000 2.445 915 F HA 0.467 5.002 4.527 0.014 0.000 0.359 915 F C 0.400 175.884 175.800 -0.527 0.000 1.101 915 F CA 1.237 58.938 58.000 -0.500 0.000 1.177 915 F CB -0.032 38.146 39.000 -1.369 0.000 1.110 915 F HN 0.639 nan 8.300 nan 0.000 0.522 916 D N 3.254 123.034 120.400 -1.034 0.000 3.010 916 D HA 0.160 4.809 4.640 0.014 0.000 0.353 916 D C -1.679 173.743 176.300 -1.463 0.000 1.415 916 D CA -0.722 52.597 54.000 -1.135 0.000 0.864 916 D CB 1.371 41.447 40.800 -1.207 0.000 1.445 916 D HN 0.463 nan 8.370 nan 0.000 0.516 917 R N 0.598 120.324 120.500 -1.290 0.000 2.229 917 R HA 0.547 4.896 4.340 0.014 0.000 0.328 917 R C -1.395 174.143 176.300 -1.270 0.000 1.009 917 R CA -0.190 55.287 56.100 -1.038 0.000 0.864 917 R CB 0.321 30.267 30.300 -0.590 0.000 1.085 917 R HN 0.290 nan 8.270 nan 0.000 0.453 918 W N 2.346 123.117 121.300 -0.883 0.000 2.719 918 W HA 0.453 5.121 4.660 0.014 0.000 0.352 918 W C -0.552 175.596 176.519 -0.619 0.000 1.085 918 W CA -0.624 56.161 57.345 -0.934 0.000 1.187 918 W CB 1.686 30.112 29.460 -1.723 0.000 1.417 918 W HN 0.387 nan 8.180 nan 0.000 0.557 919 D N 2.142 122.510 120.400 -0.054 0.000 2.613 919 D HA 0.390 5.038 4.640 0.014 0.000 0.230 919 D C -1.541 174.861 176.300 0.170 0.000 1.365 919 D CA -0.111 53.948 54.000 0.099 0.000 0.976 919 D CB 0.859 41.674 40.800 0.024 0.000 1.415 919 D HN 0.368 nan 8.370 nan 0.000 0.589 920 L N 2.794 124.189 121.223 0.287 0.000 2.303 920 L HA 0.603 4.951 4.340 0.014 0.000 0.256 920 L C -2.262 174.724 176.870 0.194 0.000 1.034 920 L CA -2.210 52.765 54.840 0.225 0.000 0.832 920 L CB 2.611 44.845 42.059 0.292 0.000 1.403 920 L HN 0.167 nan 8.230 nan 0.000 0.419 921 P HA 0.038 nan 4.420 nan 0.000 0.272 921 P C 0.509 177.887 177.300 0.131 0.000 1.223 921 P CA -0.369 62.802 63.100 0.119 0.000 0.784 921 P CB 0.902 32.652 31.700 0.083 0.000 0.923 922 L N 3.365 124.670 121.223 0.137 0.000 2.043 922 L HA -0.247 4.102 4.340 0.014 0.000 0.212 922 L C 2.260 179.180 176.870 0.084 0.000 1.075 922 L CA 2.772 57.684 54.840 0.121 0.000 0.752 922 L CB -1.614 40.530 42.059 0.141 0.000 0.891 922 L HN 0.465 nan 8.230 nan 0.000 0.432 923 S N -1.897 113.853 115.700 0.083 0.000 2.442 923 S HA -0.166 4.312 4.470 0.014 0.000 0.236 923 S C 1.569 176.241 174.600 0.121 0.000 1.007 923 S CA 1.093 59.358 58.200 0.108 0.000 0.965 923 S CB -0.766 62.493 63.200 0.097 0.000 0.773 923 S HN 0.526 nan 8.310 nan 0.000 0.504 924 D N 1.081 121.529 120.400 0.079 0.000 2.371 924 D HA 0.098 4.747 4.640 0.014 0.000 0.221 924 D C 1.176 177.485 176.300 0.016 0.000 0.986 924 D CA 0.585 54.612 54.000 0.044 0.000 0.899 924 D CB -0.108 40.724 40.800 0.053 0.000 0.902 924 D HN 0.390 nan 8.370 nan 0.000 0.530 925 M N -0.494 119.124 119.600 0.031 0.000 2.495 925 M HA 0.059 4.548 4.480 0.014 0.000 0.237 925 M C -0.038 176.271 176.300 0.016 0.000 1.131 925 M CA -0.072 55.202 55.300 -0.044 0.000 1.032 925 M CB -0.697 31.866 32.600 -0.062 0.000 1.513 925 M HN -0.058 nan 8.290 nan 0.000 0.488 926 Y N 0.210 120.477 120.300 -0.054 0.000 2.364 926 Y HA 0.498 5.057 4.550 0.014 0.000 0.340 926 Y C -0.690 175.178 175.900 -0.053 0.000 0.975 926 Y CA -0.965 57.126 58.100 -0.016 0.000 1.089 926 Y CB 1.240 39.751 38.460 0.085 0.000 1.192 926 Y HN -0.131 nan 8.280 nan 0.000 0.454 927 T N 9.000 123.165 114.554 -0.648 0.000 2.758 927 T HA 0.293 4.652 4.350 0.014 0.000 0.285 927 T C -2.669 171.331 174.700 -1.167 0.000 0.981 927 T CA -1.494 60.146 62.100 -0.767 0.000 0.965 927 T CB 1.174 69.667 68.868 -0.624 0.000 0.927 927 T HN 0.468 nan 8.240 nan 0.000 0.448 928 P HA 0.158 nan 4.420 nan 0.000 0.218 928 P C -0.695 176.552 177.300 -0.089 0.000 1.793 928 P CA -0.564 62.149 63.100 -0.646 0.000 0.941 928 P CB -0.578 30.877 31.700 -0.408 0.000 1.919 929 Y N -0.130 120.211 120.300 0.069 0.000 2.811 929 Y HA -0.117 4.441 4.550 0.014 0.000 0.334 929 Y C 2.270 178.291 175.900 0.201 0.000 1.247 929 Y CA 0.145 58.355 58.100 0.185 0.000 1.526 929 Y CB 0.041 38.499 38.460 -0.004 0.000 1.284 929 Y HN -0.063 nan 8.280 nan 0.000 0.586 930 V N 3.378 123.573 119.914 0.468 0.000 2.343 930 V HA -0.280 3.848 4.120 0.014 0.000 0.247 930 V C 0.629 176.915 176.094 0.320 0.000 1.051 930 V CA 1.357 63.887 62.300 0.382 0.000 1.036 930 V CB -0.611 31.467 31.823 0.424 0.000 0.654 930 V HN 0.605 nan 8.190 nan 0.000 0.451 931 F N 3.082 123.093 119.950 0.101 0.000 2.371 931 F HA 0.514 5.050 4.527 0.014 0.000 0.363 931 F C -2.485 173.325 175.800 0.016 0.000 1.122 931 F CA -3.533 54.459 58.000 -0.012 0.000 1.129 931 F CB 0.697 39.567 39.000 -0.216 0.000 1.173 931 F HN -0.006 nan 8.300 nan 0.000 0.489 932 P HA 0.272 nan 4.420 nan 0.000 0.271 932 P C -1.029 175.936 177.300 -0.558 0.000 1.218 932 P CA 0.070 62.925 63.100 -0.409 0.000 0.780 932 P CB 1.234 32.722 31.700 -0.354 0.000 0.901 933 S N -0.126 115.447 115.700 -0.211 0.000 2.703 933 S HA 0.447 4.925 4.470 0.014 0.000 0.273 933 S C -0.837 173.745 174.600 -0.030 0.000 1.178 933 S CA -0.932 57.178 58.200 -0.150 0.000 0.838 933 S CB 0.354 63.489 63.200 -0.109 0.000 1.178 933 S HN 0.334 nan 8.310 nan 0.000 0.494 934 E N 1.184 121.380 120.200 -0.007 0.000 2.502 934 E HA 0.372 4.730 4.350 0.014 0.000 0.261 934 E C -0.208 176.449 176.600 0.095 0.000 0.974 934 E CA 0.799 57.228 56.400 0.049 0.000 0.936 934 E CB -0.180 29.572 29.700 0.086 0.000 0.926 934 E HN 0.804 nan 8.360 nan 0.000 0.459 935 N N 1.369 120.164 118.700 0.159 0.000 3.046 935 N HA 0.469 5.218 4.740 0.014 0.000 0.243 935 N C 0.154 175.731 175.510 0.113 0.000 1.452 935 N CA -0.528 52.659 53.050 0.227 0.000 0.882 935 N CB 0.906 39.530 38.487 0.228 0.000 1.425 935 N HN 0.736 nan 8.380 nan 0.000 0.517 936 G N -1.234 107.595 108.800 0.048 0.000 2.162 936 G HA2 -0.272 3.697 3.960 0.014 0.000 0.260 936 G HA3 -0.272 3.697 3.960 0.014 0.000 0.260 936 G C -0.163 174.482 174.900 -0.425 0.000 0.976 936 G CA 0.443 45.447 45.100 -0.160 0.000 0.655 936 G HN 0.728 nan 8.290 nan 0.000 0.533 937 L N -0.023 120.869 121.223 -0.552 0.000 2.499 937 L HA 0.633 4.982 4.340 0.014 0.000 0.281 937 L C 0.726 177.008 176.870 -0.980 0.000 1.234 937 L CA 0.532 54.809 54.840 -0.939 0.000 0.839 937 L CB 0.510 41.693 42.059 -1.460 0.000 1.104 937 L HN 0.279 nan 8.230 nan 0.000 0.500 938 R N 2.169 121.995 120.500 -1.122 0.000 2.575 938 R HA 0.514 4.863 4.340 0.014 0.000 0.293 938 R C -0.964 174.981 176.300 -0.592 0.000 0.983 938 R CA -0.291 55.297 56.100 -0.853 0.000 0.887 938 R CB 1.479 31.107 30.300 -1.122 0.000 1.184 938 R HN 0.718 nan 8.270 nan 0.000 0.445 939 C N 0.185 119.292 119.300 -0.321 0.000 2.484 939 C HA 0.700 5.168 4.460 0.014 0.000 0.409 939 C C 1.248 176.218 174.990 -0.033 0.000 1.434 939 C CA 0.076 58.984 59.018 -0.184 0.000 1.913 939 C CB 1.313 28.968 27.740 -0.141 0.000 2.028 939 C HN 1.021 nan 8.230 nan 0.000 0.516 940 G N 1.646 110.444 108.800 -0.004 0.000 2.341 940 G HA2 -0.190 3.778 3.960 0.014 0.000 0.292 940 G HA3 -0.190 3.778 3.960 0.014 0.000 0.292 940 G C -0.027 174.937 174.900 0.108 0.000 1.021 940 G CA 0.700 45.852 45.100 0.086 0.000 0.905 940 G HN 0.779 nan 8.290 nan 0.000 0.508 941 T N -0.110 114.381 114.554 -0.106 0.000 2.799 941 T HA 0.523 4.882 4.350 0.014 0.000 0.286 941 T C 1.293 175.681 174.700 -0.520 0.000 0.973 941 T CA -0.620 61.356 62.100 -0.205 0.000 1.035 941 T CB 1.360 70.124 68.868 -0.173 0.000 0.932 941 T HN 0.188 nan 8.240 nan 0.000 0.469 942 R N 1.483 121.893 120.500 -0.150 0.000 2.282 942 R HA 0.296 4.645 4.340 0.014 0.000 0.195 942 R C 0.490 176.812 176.300 0.037 0.000 0.909 942 R CA 0.195 56.266 56.100 -0.048 0.000 1.039 942 R CB 0.365 30.777 30.300 0.186 0.000 1.015 942 R HN 0.703 nan 8.270 nan 0.000 0.513 943 E N 0.437 120.669 120.200 0.053 0.000 2.354 943 E HA 0.316 4.675 4.350 0.014 0.000 0.283 943 E C -1.866 174.877 176.600 0.238 0.000 0.938 943 E CA -0.649 55.876 56.400 0.209 0.000 0.777 943 E CB 1.475 31.263 29.700 0.146 0.000 1.222 943 E HN -0.085 nan 8.360 nan 0.000 0.423 944 L N 3.855 125.286 121.223 0.347 0.000 2.408 944 L HA 0.617 4.965 4.340 0.014 0.000 0.268 944 L C -1.850 175.217 176.870 0.328 0.000 0.986 944 L CA -0.398 54.583 54.840 0.235 0.000 0.820 944 L CB 1.882 43.940 42.059 -0.002 0.000 1.303 944 L HN 0.484 nan 8.230 nan 0.000 0.411 945 N N 4.195 123.059 118.700 0.274 0.000 2.296 945 N HA 0.430 5.179 4.740 0.014 0.000 0.294 945 N C -2.025 173.711 175.510 0.378 0.000 1.033 945 N CA -0.259 52.948 53.050 0.262 0.000 0.839 945 N CB 2.296 40.879 38.487 0.161 0.000 1.395 945 N HN 0.633 nan 8.380 nan 0.000 0.479 946 Y N 1.132 121.566 120.300 0.223 0.000 2.298 946 Y HA 0.386 4.944 4.550 0.014 0.000 0.322 946 Y C 0.551 176.553 175.900 0.171 0.000 1.138 946 Y CA 0.150 58.383 58.100 0.222 0.000 1.127 946 Y CB 0.466 39.117 38.460 0.319 0.000 1.178 946 Y HN 0.862 nan 8.280 nan 0.000 0.428 947 G N 6.470 115.096 108.800 -0.290 0.000 2.583 947 G HA2 -0.311 3.657 3.960 0.014 0.000 0.292 947 G HA3 -0.311 3.657 3.960 0.014 0.000 0.292 947 G C -1.636 173.144 174.900 -0.201 0.000 1.203 947 G CA 0.136 45.053 45.100 -0.304 0.000 0.987 947 G HN 0.575 nan 8.290 nan 0.000 0.554 948 P HA 0.110 nan 4.420 nan 0.000 0.236 948 P C 0.424 177.530 177.300 -0.324 0.000 1.177 948 P CA 0.949 63.852 63.100 -0.327 0.000 0.773 948 P CB -0.055 31.382 31.700 -0.439 0.000 0.878 949 H N 0.343 119.348 119.070 -0.108 0.000 2.505 949 H HA 0.414 4.979 4.556 0.014 0.000 0.351 949 H C 0.080 175.105 175.328 -0.505 0.000 1.151 949 H CA 0.112 55.958 56.048 -0.337 0.000 1.339 949 H CB 1.289 30.668 29.762 -0.638 0.000 1.483 949 H HN 0.095 nan 8.280 nan 0.000 0.558 950 Q N 2.448 121.956 119.800 -0.487 0.000 2.305 950 Q HA 0.232 4.580 4.340 0.014 0.000 0.271 950 Q C -1.581 174.128 176.000 -0.485 0.000 1.046 950 Q CA -0.704 54.915 55.803 -0.307 0.000 0.798 950 Q CB 1.933 30.640 28.738 -0.053 0.000 1.286 950 Q HN 0.574 nan 8.270 nan 0.000 0.435 951 W N 3.964 125.218 121.300 -0.077 0.000 2.632 951 W HA 0.574 5.243 4.660 0.014 0.000 0.328 951 W C -0.170 176.429 176.519 0.133 0.000 1.044 951 W CA -0.734 56.537 57.345 -0.123 0.000 1.225 951 W CB 1.889 31.062 29.460 -0.478 0.000 1.396 951 W HN 0.527 nan 8.180 nan 0.000 0.499 952 R N 0.705 121.438 120.500 0.389 0.000 2.807 952 R HA 0.813 5.161 4.340 0.014 0.000 0.276 952 R C 0.204 176.795 176.300 0.486 0.000 0.979 952 R CA -0.512 55.846 56.100 0.431 0.000 0.928 952 R CB 2.365 32.822 30.300 0.262 0.000 1.191 952 R HN 0.744 nan 8.270 nan 0.000 0.471 953 G N 0.578 109.663 108.800 0.475 0.000 2.534 953 G HA2 -0.001 3.967 3.960 0.014 0.000 0.142 953 G HA3 -0.001 3.967 3.960 0.014 0.000 0.142 953 G C -1.772 173.280 174.900 0.254 0.000 1.178 953 G CA -0.362 44.983 45.100 0.408 0.000 1.037 953 G HN 0.496 nan 8.290 nan 0.000 0.474 954 D N 0.140 120.688 120.400 0.248 0.000 2.381 954 D HA 0.574 5.223 4.640 0.014 0.000 0.245 954 D C -0.701 175.612 176.300 0.021 0.000 1.297 954 D CA -0.472 53.548 54.000 0.033 0.000 0.931 954 D CB 0.123 40.972 40.800 0.081 0.000 1.334 954 D HN 0.524 nan 8.370 nan 0.000 0.535 955 F N -0.252 119.693 119.950 -0.008 0.000 2.706 955 F HA 0.741 5.276 4.527 0.014 0.000 0.328 955 F C -0.797 174.959 175.800 -0.073 0.000 1.123 955 F CA -1.020 56.911 58.000 -0.114 0.000 0.978 955 F CB 0.745 39.675 39.000 -0.117 0.000 1.404 955 F HN -0.179 nan 8.300 nan 0.000 0.497 956 Q N 1.495 121.367 119.800 0.120 0.000 2.348 956 Q HA 0.651 4.999 4.340 0.014 0.000 0.271 956 Q C -1.274 174.798 176.000 0.119 0.000 1.067 956 Q CA -0.547 55.245 55.803 -0.018 0.000 0.839 956 Q CB 2.684 31.306 28.738 -0.193 0.000 1.354 956 Q HN 0.858 nan 8.270 nan 0.000 0.447 957 F N -1.186 118.651 119.950 -0.188 0.000 2.693 957 F HA 0.722 5.258 4.527 0.014 0.000 0.309 957 F C -1.554 174.035 175.800 -0.352 0.000 1.129 957 F CA -1.107 56.740 58.000 -0.256 0.000 0.948 957 F CB 1.387 40.259 39.000 -0.214 0.000 1.315 957 F HN 0.583 nan 8.300 nan 0.000 0.447 958 N N 1.673 120.210 118.700 -0.271 0.000 2.405 958 N HA 0.779 5.527 4.740 0.014 0.000 0.285 958 N C -2.038 173.416 175.510 -0.094 0.000 1.262 958 N CA -0.822 52.035 53.050 -0.322 0.000 0.773 958 N CB 2.739 41.051 38.487 -0.292 0.000 1.490 958 N HN 1.119 nan 8.380 nan 0.000 0.486 959 I N 0.095 120.602 120.570 -0.105 0.000 2.649 959 I HA 0.640 4.819 4.170 0.014 0.000 0.289 959 I C -1.500 174.539 176.117 -0.130 0.000 1.222 959 I CA 0.032 61.241 61.300 -0.152 0.000 1.046 959 I CB 1.336 39.184 38.000 -0.254 0.000 1.272 959 I HN 1.067 nan 8.210 nan 0.000 0.425 960 S N 6.259 121.894 115.700 -0.109 0.000 2.655 960 S HA 0.506 4.984 4.470 0.014 0.000 0.266 960 S C -0.344 174.150 174.600 -0.177 0.000 1.149 960 S CA -0.967 57.157 58.200 -0.126 0.000 0.818 960 S CB 1.662 64.844 63.200 -0.030 0.000 1.130 960 S HN 0.631 nan 8.310 nan 0.000 0.476 961 R N -0.052 120.166 120.500 -0.470 0.000 2.356 961 R HA 0.272 4.620 4.340 0.014 0.000 0.234 961 R C -1.019 174.965 176.300 -0.526 0.000 0.929 961 R CA 0.284 56.097 56.100 -0.479 0.000 1.084 961 R CB -1.041 28.855 30.300 -0.674 0.000 1.105 961 R HN 0.619 nan 8.270 nan 0.000 0.515 962 Y N -0.190 120.069 120.300 -0.067 0.000 2.376 962 Y HA 0.233 4.791 4.550 0.014 0.000 0.340 962 Y C 0.671 176.355 175.900 -0.360 0.000 0.965 962 Y CA -1.393 56.581 58.100 -0.210 0.000 1.078 962 Y CB 1.386 39.666 38.460 -0.301 0.000 1.193 962 Y HN -0.096 nan 8.280 nan 0.000 0.452 963 S N 1.678 117.059 115.700 -0.531 0.000 2.603 963 S HA 0.082 4.560 4.470 0.014 0.000 0.268 963 S C 0.885 175.136 174.600 -0.583 0.000 1.317 963 S CA -0.756 56.753 58.200 -1.151 0.000 1.012 963 S CB 1.122 63.529 63.200 -1.323 0.000 0.926 963 S HN 0.706 nan 8.310 nan 0.000 0.539 964 Q N 0.728 120.195 119.800 -0.554 0.000 2.181 964 Q HA -0.210 4.139 4.340 0.014 0.000 0.205 964 Q C 2.190 178.041 176.000 -0.247 0.000 0.980 964 Q CA 1.815 57.442 55.803 -0.292 0.000 0.862 964 Q CB -0.507 28.096 28.738 -0.226 0.000 0.905 964 Q HN 0.964 nan 8.270 nan 0.000 0.429 965 Q N 0.590 120.209 119.800 -0.301 0.000 2.084 965 Q HA -0.222 4.127 4.340 0.014 0.000 0.202 965 Q C 2.130 178.024 176.000 -0.176 0.000 0.978 965 Q CA 1.544 57.232 55.803 -0.192 0.000 0.844 965 Q CB 0.028 28.661 28.738 -0.176 0.000 0.898 965 Q HN 0.402 nan 8.270 nan 0.000 0.426 966 Q N -0.019 119.646 119.800 -0.226 0.000 2.084 966 Q HA -0.165 4.183 4.340 0.014 0.000 0.202 966 Q C 2.198 178.070 176.000 -0.215 0.000 0.978 966 Q CA 1.329 57.011 55.803 -0.202 0.000 0.844 966 Q CB -0.065 28.524 28.738 -0.248 0.000 0.898 966 Q HN 0.474 nan 8.270 nan 0.000 0.426 967 L N 0.151 121.238 121.223 -0.226 0.000 2.042 967 L HA -0.207 4.142 4.340 0.014 0.000 0.210 967 L C 2.678 179.409 176.870 -0.232 0.000 1.076 967 L CA 1.220 55.921 54.840 -0.232 0.000 0.749 967 L CB -0.383 41.570 42.059 -0.177 0.000 0.893 967 L HN 0.410 nan 8.230 nan 0.000 0.432 968 M N -0.507 118.989 119.600 -0.173 0.000 2.394 968 M HA -0.152 4.336 4.480 0.014 0.000 0.264 968 M C 1.500 177.729 176.300 -0.119 0.000 1.073 968 M CA 1.590 56.806 55.300 -0.140 0.000 1.111 968 M CB 0.122 32.654 32.600 -0.114 0.000 1.401 968 M HN 0.202 nan 8.290 nan 0.000 0.448 969 E N -0.429 119.700 120.200 -0.118 0.000 2.474 969 E HA 0.071 4.429 4.350 0.014 0.000 0.195 969 E C -0.441 176.116 176.600 -0.072 0.000 1.039 969 E CA 0.062 56.418 56.400 -0.074 0.000 0.881 969 E CB 0.592 30.256 29.700 -0.059 0.000 0.970 969 E HN 0.303 nan 8.360 nan 0.000 0.486 970 T N 0.150 114.624 114.554 -0.133 0.000 2.792 970 T HA 0.114 4.473 4.350 0.014 0.000 0.280 970 T C 0.857 175.471 174.700 -0.142 0.000 0.990 970 T CA -0.541 61.485 62.100 -0.124 0.000 0.960 970 T CB 1.678 70.437 68.868 -0.182 0.000 0.939 970 T HN -0.008 nan 8.240 nan 0.000 0.439 971 S N 1.506 117.226 115.700 0.033 0.000 2.535 971 S HA 0.153 4.632 4.470 0.014 0.000 0.214 971 S C 0.159 174.848 174.600 0.148 0.000 0.980 971 S CA 0.024 58.332 58.200 0.180 0.000 0.907 971 S CB -0.202 63.244 63.200 0.410 0.000 0.790 971 S HN 0.731 nan 8.310 nan 0.000 0.510 972 H N 0.717 119.803 119.070 0.027 0.000 2.771 972 H HA 0.476 5.041 4.556 0.014 0.000 0.361 972 H C 0.886 176.187 175.328 -0.045 0.000 1.108 972 H CA -0.847 55.257 56.048 0.092 0.000 1.201 972 H CB 1.518 31.297 29.762 0.028 0.000 1.681 972 H HN 0.116 nan 8.280 nan 0.000 0.534 973 R N 1.907 122.515 120.500 0.181 0.000 2.152 973 R HA -0.149 4.199 4.340 0.014 0.000 0.232 973 R C 1.177 177.490 176.300 0.021 0.000 1.117 973 R CA 1.735 57.874 56.100 0.066 0.000 0.981 973 R CB -0.387 30.001 30.300 0.146 0.000 0.870 973 R HN 0.758 nan 8.270 nan 0.000 0.451 974 H N 1.127 120.201 119.070 0.008 0.000 2.545 974 H HA 0.030 4.594 4.556 0.014 0.000 0.282 974 H C 1.426 176.677 175.328 -0.128 0.000 1.020 974 H CA 0.741 56.753 56.048 -0.061 0.000 1.243 974 H CB -0.117 29.593 29.762 -0.087 0.000 1.377 974 H HN 0.312 nan 8.280 nan 0.000 0.581 975 L N 0.924 121.762 121.223 -0.643 0.000 2.592 975 L HA 0.215 4.563 4.340 0.014 0.000 0.227 975 L C 0.675 177.411 176.870 -0.222 0.000 1.127 975 L CA -0.160 54.388 54.840 -0.487 0.000 0.884 975 L CB 0.096 41.839 42.059 -0.527 0.000 1.065 975 L HN 0.041 nan 8.230 nan 0.000 0.457 976 L N 0.863 121.943 121.223 -0.239 0.000 2.439 976 L HA 0.154 4.502 4.340 0.014 0.000 0.269 976 L C 0.197 177.022 176.870 -0.075 0.000 1.179 976 L CA -0.089 54.575 54.840 -0.294 0.000 0.828 976 L CB 0.359 42.013 42.059 -0.674 0.000 1.106 976 L HN 0.211 nan 8.230 nan 0.000 0.467 977 H N 1.316 120.410 119.070 0.040 0.000 2.717 977 H HA 0.603 5.168 4.556 0.014 0.000 0.366 977 H C -0.803 174.652 175.328 0.212 0.000 1.132 977 H CA -1.263 54.850 56.048 0.109 0.000 1.180 977 H CB 1.371 31.150 29.762 0.029 0.000 1.678 977 H HN 0.671 nan 8.280 nan 0.000 0.537 978 A N 3.299 126.238 122.820 0.199 0.000 2.520 978 A HA 0.102 4.430 4.320 0.014 0.000 0.245 978 A C 0.365 178.005 177.584 0.093 0.000 1.072 978 A CA -0.176 51.832 52.037 -0.048 0.000 0.761 978 A CB -0.035 18.904 19.000 -0.101 0.000 1.004 978 A HN 0.837 nan 8.150 nan 0.000 0.499 979 E N 0.950 121.177 120.200 0.046 0.000 2.359 979 E HA 0.211 4.569 4.350 0.014 0.000 0.255 979 E C -0.071 176.575 176.600 0.078 0.000 1.191 979 E CA -0.724 55.776 56.400 0.167 0.000 0.952 979 E CB 0.655 30.525 29.700 0.284 0.000 1.152 979 E HN 0.786 nan 8.360 nan 0.000 0.496 980 E N 0.088 120.328 120.200 0.067 0.000 2.398 980 E HA 0.224 4.582 4.350 0.014 0.000 0.263 980 E C 0.239 176.807 176.600 -0.054 0.000 1.046 980 E CA 0.541 56.943 56.400 0.002 0.000 0.908 980 E CB 0.531 30.228 29.700 -0.004 0.000 0.963 980 E HN 0.667 nan 8.360 nan 0.000 0.431 981 G N 2.394 111.161 108.800 -0.055 0.000 2.750 981 G HA2 -0.226 3.743 3.960 0.014 0.000 0.228 981 G HA3 -0.226 3.743 3.960 0.014 0.000 0.228 981 G C -0.630 174.211 174.900 -0.098 0.000 1.367 981 G CA -0.186 44.862 45.100 -0.086 0.000 0.871 981 G HN 0.575 nan 8.290 nan 0.000 0.560 982 T N 0.183 114.658 114.554 -0.131 0.000 2.848 982 T HA 0.511 4.869 4.350 0.014 0.000 0.285 982 T C -0.716 173.832 174.700 -0.253 0.000 0.995 982 T CA -0.159 61.871 62.100 -0.116 0.000 0.970 982 T CB 1.383 70.258 68.868 0.013 0.000 0.976 982 T HN 0.561 nan 8.240 nan 0.000 0.441 983 W N 3.124 124.332 121.300 -0.153 0.000 2.322 983 W HA 0.597 5.266 4.660 0.014 0.000 0.307 983 W C -0.311 176.076 176.519 -0.221 0.000 1.220 983 W CA -0.696 56.555 57.345 -0.157 0.000 1.210 983 W CB 0.772 30.152 29.460 -0.133 0.000 1.223 983 W HN 0.373 nan 8.180 nan 0.000 0.511 984 L N 5.763 126.970 121.223 -0.027 0.000 2.325 984 L HA 0.495 4.844 4.340 0.014 0.000 0.281 984 L C -0.912 175.860 176.870 -0.163 0.000 1.004 984 L CA -0.402 54.306 54.840 -0.220 0.000 0.823 984 L CB 0.733 42.500 42.059 -0.486 0.000 1.236 984 L HN 0.305 nan 8.230 nan 0.000 0.415 985 N N 7.053 125.650 118.700 -0.170 0.000 2.476 985 N HA 0.457 5.205 4.740 0.014 0.000 0.257 985 N C -1.148 174.223 175.510 -0.231 0.000 0.970 985 N CA -0.209 52.738 53.050 -0.172 0.000 0.938 985 N CB 2.116 40.530 38.487 -0.122 0.000 1.144 985 N HN 0.552 nan 8.380 nan 0.000 0.500 986 I N 1.887 122.273 120.570 -0.308 0.000 2.382 986 I HA 0.246 4.424 4.170 0.014 0.000 0.286 986 I C -0.636 175.294 176.117 -0.310 0.000 1.002 986 I CA -0.594 60.490 61.300 -0.361 0.000 1.135 986 I CB 1.629 39.235 38.000 -0.657 0.000 1.288 986 I HN 0.167 nan 8.210 nan 0.000 0.448 987 D N 4.406 124.657 120.400 -0.247 0.000 2.248 987 D HA 0.291 4.939 4.640 0.014 0.000 0.246 987 D C 0.916 176.908 176.300 -0.514 0.000 1.027 987 D CA -0.282 53.505 54.000 -0.356 0.000 0.853 987 D CB 2.530 43.224 40.800 -0.176 0.000 1.243 987 D HN 0.689 nan 8.370 nan 0.000 0.462 988 G N 0.830 109.026 108.800 -1.007 0.000 2.408 988 G HA2 -0.001 3.967 3.960 0.014 0.000 0.215 988 G HA3 -0.001 3.967 3.960 0.014 0.000 0.215 988 G C 0.085 174.250 174.900 -1.225 0.000 1.156 988 G CA 0.555 44.936 45.100 -1.197 0.000 0.793 988 G HN 0.362 nan 8.290 nan 0.000 0.535 989 F N -1.945 117.809 119.950 -0.327 0.000 2.601 989 F HA 0.601 5.136 4.527 0.014 0.000 0.309 989 F C -0.561 175.141 175.800 -0.164 0.000 1.089 989 F CA -1.175 56.707 58.000 -0.196 0.000 0.940 989 F CB 2.163 40.969 39.000 -0.323 0.000 1.273 989 F HN 0.038 nan 8.300 nan 0.000 0.450 990 H N 1.946 121.016 119.070 -0.000 0.000 2.865 990 H HA 0.517 5.081 4.556 0.014 0.000 0.362 990 H C -0.814 174.538 175.328 0.039 0.000 1.114 990 H CA -0.867 55.160 56.048 -0.035 0.000 1.208 990 H CB 1.807 31.537 29.762 -0.053 0.000 1.727 990 H HN 0.777 nan 8.280 nan 0.000 0.534 991 M N 3.515 123.081 119.600 -0.057 0.000 2.245 991 M HA 0.273 4.761 4.480 0.014 0.000 0.330 991 M C 0.549 176.964 176.300 0.191 0.000 1.098 991 M CA 0.380 55.702 55.300 0.037 0.000 1.172 991 M CB 0.366 32.886 32.600 -0.133 0.000 1.467 991 M HN 0.839 nan 8.290 nan 0.000 0.454 992 G N 2.819 111.716 108.800 0.161 0.000 2.716 992 G HA2 0.260 4.229 3.960 0.014 0.000 0.251 992 G HA3 0.260 4.229 3.960 0.014 0.000 0.251 992 G C 0.588 175.471 174.900 -0.028 0.000 1.224 992 G CA -0.287 44.843 45.100 0.049 0.000 0.891 992 G HN 0.975 nan 8.290 nan 0.000 0.561 993 I N -2.055 118.443 120.570 -0.121 0.000 3.854 993 I HA 0.427 4.606 4.170 0.014 0.000 0.312 993 I C 1.202 177.239 176.117 -0.133 0.000 1.273 993 I CA 0.422 61.608 61.300 -0.190 0.000 1.298 993 I CB -0.542 37.239 38.000 -0.365 0.000 1.071 993 I HN 0.956 nan 8.210 nan 0.000 0.428 994 G N 1.467 110.211 108.800 -0.093 0.000 2.698 994 G HA2 0.048 4.017 3.960 0.014 0.000 0.233 994 G HA3 0.048 4.017 3.960 0.014 0.000 0.233 994 G C 0.517 175.396 174.900 -0.034 0.000 1.352 994 G CA 0.083 45.163 45.100 -0.033 0.000 0.879 994 G HN 1.296 nan 8.290 nan 0.000 0.567 995 G N -2.509 106.287 108.800 -0.006 0.000 2.935 995 G HA2 0.015 3.984 3.960 0.014 0.000 0.213 995 G HA3 0.015 3.984 3.960 0.014 0.000 0.213 995 G C 0.687 175.628 174.900 0.068 0.000 0.984 995 G CA 0.974 46.080 45.100 0.010 0.000 0.790 995 G HN 0.933 nan 8.290 nan 0.000 0.538 996 D N 1.342 121.806 120.400 0.108 0.000 2.190 996 D HA 0.079 4.727 4.640 0.014 0.000 0.200 996 D C 0.997 177.309 176.300 0.020 0.000 0.992 996 D CA 2.091 56.218 54.000 0.212 0.000 0.854 996 D CB 0.127 41.066 40.800 0.232 0.000 0.936 996 D HN 0.789 nan 8.370 nan 0.000 0.462 997 D N -3.295 116.909 120.400 -0.325 0.000 2.643 997 D HA 0.329 4.977 4.640 0.014 0.000 0.283 997 D C -0.840 174.927 176.300 -0.887 0.000 1.242 997 D CA -0.746 52.635 54.000 -1.032 0.000 0.863 997 D CB 0.883 40.533 40.800 -1.918 0.000 1.382 997 D HN -0.307 nan 8.370 nan 0.000 0.444 998 S N -0.597 114.394 115.700 -1.181 0.000 2.711 998 S HA 0.260 4.738 4.470 0.014 0.000 0.247 998 S C -0.705 173.898 174.600 0.005 0.000 1.079 998 S CA -0.687 57.322 58.200 -0.319 0.000 1.050 998 S CB -0.510 62.733 63.200 0.071 0.000 0.885 998 S HN 0.610 nan 8.310 nan 0.000 0.498 999 W N 0.655 121.886 121.300 -0.114 0.000 2.055 999 W HA 0.506 5.174 4.660 0.013 0.000 0.293 999 W C 0.022 176.486 176.519 -0.092 0.000 0.886 999 W CA -0.462 56.821 57.345 -0.104 0.000 1.384 999 W CB -0.532 28.795 29.460 -0.222 0.000 1.068 999 W HN 0.190 nan 8.180 nan 0.000 0.513 1000 S N -1.050 114.531 115.700 -0.198 0.000 2.570 1000 S HA 0.645 5.123 4.470 0.014 0.000 0.270 1000 S C -3.118 171.415 174.600 -0.111 0.000 1.149 1000 S CA -1.655 56.483 58.200 -0.104 0.000 0.837 1000 S CB 1.786 64.954 63.200 -0.055 0.000 1.124 1000 S HN -0.243 nan 8.310 nan 0.000 0.465 1001 P HA 0.183 nan 4.420 nan 0.000 0.263 1001 P C 0.346 177.686 177.300 0.067 0.000 1.195 1001 P CA 0.044 63.147 63.100 0.004 0.000 0.762 1001 P CB 0.631 32.207 31.700 -0.206 0.000 0.799 1002 S N 0.604 116.385 115.700 0.135 0.000 2.847 1002 S HA 0.145 4.624 4.470 0.014 0.000 0.254 1002 S C 0.200 174.882 174.600 0.136 0.000 1.039 1002 S CA -0.312 57.938 58.200 0.085 0.000 1.113 1002 S CB -0.240 62.957 63.200 -0.006 0.000 1.092 1002 S HN 0.111 nan 8.310 nan 0.000 0.620 1003 V N 2.756 122.799 119.914 0.215 0.000 2.488 1003 V HA 0.409 4.538 4.120 0.014 0.000 0.277 1003 V C 0.791 177.034 176.094 0.248 0.000 1.046 1003 V CA -0.277 62.133 62.300 0.182 0.000 0.986 1003 V CB 1.139 33.016 31.823 0.090 0.000 0.989 1003 V HN 0.504 nan 8.190 nan 0.000 0.475 1004 S N 3.767 119.625 115.700 0.264 0.000 2.579 1004 S HA 0.363 4.841 4.470 0.014 0.000 0.275 1004 S C 1.510 176.259 174.600 0.248 0.000 1.345 1004 S CA 0.071 58.422 58.200 0.252 0.000 1.031 1004 S CB 1.258 64.641 63.200 0.304 0.000 0.892 1004 S HN 0.975 nan 8.310 nan 0.000 0.529 1005 A N 3.039 125.963 122.820 0.172 0.000 1.917 1005 A HA -0.146 4.183 4.320 0.014 0.000 0.219 1005 A C 1.984 179.609 177.584 0.069 0.000 1.182 1005 A CA 1.878 54.001 52.037 0.144 0.000 0.633 1005 A CB -0.731 18.330 19.000 0.102 0.000 0.819 1005 A HN 0.952 nan 8.150 nan 0.000 0.448 1006 E N -1.021 119.163 120.200 -0.028 0.000 2.472 1006 E HA -0.134 4.224 4.350 0.014 0.000 0.200 1006 E C 0.475 176.851 176.600 -0.374 0.000 1.046 1006 E CA 0.759 57.025 56.400 -0.223 0.000 0.871 1006 E CB -0.396 29.087 29.700 -0.361 0.000 0.806 1006 E HN 0.624 nan 8.360 nan 0.000 0.533 1007 F N 1.161 121.161 119.950 0.083 0.000 2.654 1007 F HA 0.305 4.840 4.527 0.014 0.000 0.303 1007 F C 0.738 176.574 175.800 0.060 0.000 1.099 1007 F CA -0.407 57.643 58.000 0.082 0.000 1.270 1007 F CB 0.500 39.548 39.000 0.080 0.000 1.024 1007 F HN -0.174 nan 8.300 nan 0.000 0.548 1008 Q N 0.864 120.766 119.800 0.171 0.000 2.222 1008 Q HA 0.450 4.799 4.340 0.014 0.000 0.252 1008 Q C -0.228 175.801 176.000 0.048 0.000 0.926 1008 Q CA -0.574 55.306 55.803 0.127 0.000 0.899 1008 Q CB 2.005 30.902 28.738 0.266 0.000 1.250 1008 Q HN 0.200 nan 8.270 nan 0.000 0.441 1009 L N 2.420 123.656 121.223 0.023 0.000 2.422 1009 L HA 0.131 4.479 4.340 0.014 0.000 0.256 1009 L C 0.579 177.421 176.870 -0.048 0.000 1.202 1009 L CA -0.050 54.796 54.840 0.009 0.000 1.119 1009 L CB -0.188 41.775 42.059 -0.160 0.000 1.383 1009 L HN 0.688 nan 8.230 nan 0.000 0.411 1010 S N -1.114 114.463 115.700 -0.205 0.000 2.554 1010 S HA 0.148 4.626 4.470 0.014 0.000 0.226 1010 S C 1.579 176.093 174.600 -0.143 0.000 0.980 1010 S CA 0.171 58.076 58.200 -0.492 0.000 0.939 1010 S CB 0.747 63.509 63.200 -0.730 0.000 0.832 1010 S HN 0.507 nan 8.310 nan 0.000 0.486 1011 A N 1.371 124.139 122.820 -0.086 0.000 2.172 1011 A HA 0.469 4.797 4.320 0.014 0.000 0.216 1011 A C 2.089 179.509 177.584 -0.274 0.000 1.154 1011 A CA 1.089 52.945 52.037 -0.303 0.000 0.701 1011 A CB -1.260 17.343 19.000 -0.660 0.000 0.789 1011 A HN 1.439 nan 8.150 nan 0.000 0.465 1012 G N -1.041 107.701 108.800 -0.097 0.000 2.708 1012 G HA2 -0.315 3.653 3.960 0.014 0.000 0.229 1012 G HA3 -0.315 3.653 3.960 0.014 0.000 0.229 1012 G C 0.481 175.364 174.900 -0.029 0.000 1.236 1012 G CA 0.503 45.600 45.100 -0.005 0.000 0.749 1012 G HN 0.691 nan 8.290 nan 0.000 0.515 1013 R N -0.519 119.843 120.500 -0.230 0.000 2.534 1013 R HA 0.685 5.033 4.340 0.014 0.000 0.301 1013 R C -1.596 174.450 176.300 -0.424 0.000 0.961 1013 R CA -0.602 55.406 56.100 -0.154 0.000 0.871 1013 R CB 1.576 31.828 30.300 -0.080 0.000 1.170 1013 R HN 0.244 nan 8.270 nan 0.000 0.446 1014 Y N 0.453 120.743 120.300 -0.017 0.000 2.442 1014 Y HA 0.298 4.856 4.550 0.014 0.000 0.344 1014 Y C -0.461 175.571 175.900 0.219 0.000 0.976 1014 Y CA -0.826 57.221 58.100 -0.089 0.000 1.040 1014 Y CB 2.056 40.336 38.460 -0.300 0.000 1.228 1014 Y HN 0.587 nan 8.280 nan 0.000 0.451 1015 H N 3.147 122.472 119.070 0.425 0.000 2.538 1015 H HA 0.637 5.201 4.556 0.014 0.000 0.353 1015 H C -1.681 174.040 175.328 0.655 0.000 1.109 1015 H CA -0.895 55.401 56.048 0.414 0.000 1.192 1015 H CB 1.105 31.014 29.762 0.245 0.000 1.555 1015 H HN 0.542 nan 8.280 nan 0.000 0.518 1016 Y N 1.574 121.641 120.300 -0.388 0.000 2.638 1016 Y HA 0.445 5.004 4.550 0.014 0.000 0.335 1016 Y C -2.050 173.654 175.900 -0.326 0.000 1.155 1016 Y CA -1.149 56.815 58.100 -0.226 0.000 1.046 1016 Y CB 1.316 39.760 38.460 -0.028 0.000 1.303 1016 Y HN 0.734 nan 8.280 nan 0.000 0.460 1017 Q N 2.875 122.683 119.800 0.015 0.000 2.340 1017 Q HA 0.749 5.097 4.340 0.014 0.000 0.276 1017 Q C -2.226 173.867 176.000 0.155 0.000 1.048 1017 Q CA -0.947 54.855 55.803 -0.002 0.000 0.832 1017 Q CB 3.206 31.979 28.738 0.059 0.000 1.373 1017 Q HN 0.928 nan 8.270 nan 0.000 0.409 1018 L N 1.045 122.346 121.223 0.129 0.000 2.393 1018 L HA 0.749 5.098 4.340 0.014 0.000 0.260 1018 L C -0.931 176.058 176.870 0.198 0.000 1.002 1018 L CA -1.275 53.677 54.840 0.187 0.000 0.818 1018 L CB 2.655 44.804 42.059 0.150 0.000 1.369 1018 L HN 0.474 nan 8.230 nan 0.000 0.412 1019 V N 0.611 120.665 119.914 0.234 0.000 2.487 1019 V HA 0.389 4.517 4.120 0.014 0.000 0.298 1019 V C -1.305 174.958 176.094 0.281 0.000 1.028 1019 V CA -0.445 61.999 62.300 0.240 0.000 0.860 1019 V CB 2.168 34.106 31.823 0.192 0.000 0.991 1019 V HN 0.606 nan 8.190 nan 0.000 0.427 1020 W N 7.033 128.391 121.300 0.098 0.000 2.361 1020 W HA 0.708 5.377 4.660 0.014 0.000 0.314 1020 W C -0.253 176.266 176.519 -0.001 0.000 1.041 1020 W CA -1.161 56.158 57.345 -0.043 0.000 1.241 1020 W CB 1.347 30.846 29.460 0.064 0.000 1.279 1020 W HN 0.866 nan 8.180 nan 0.000 0.436 1021 C N 3.996 123.527 119.300 0.385 0.000 3.285 1021 C HA 0.791 5.260 4.460 0.014 0.000 0.320 1021 C C -0.565 174.541 174.990 0.194 0.000 1.411 1021 C CA -0.909 58.269 59.018 0.266 0.000 1.429 1021 C CB 1.560 29.405 27.740 0.174 0.000 1.812 1021 C HN 0.699 nan 8.230 nan 0.000 0.454 1022 Q N 2.113 121.983 119.800 0.116 0.000 2.293 1022 Q HA 0.651 4.999 4.340 0.014 0.000 0.261 1022 Q C -0.450 175.550 176.000 0.000 0.000 0.960 1022 Q CA -0.062 55.757 55.803 0.026 0.000 0.882 1022 Q CB 1.035 29.755 28.738 -0.031 0.000 1.275 1022 Q HN 0.997 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.378 120.400 -0.036 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 1023 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543