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 1px3_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 LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IAVSEXXXID 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 0.000 176.058 176.300 -0.404 0.000 0.893 13 R CA 0.000 55.950 56.100 -0.250 0.000 0.921 13 R CB 0.000 30.153 30.300 -0.246 0.000 0.687 14 R N 1.282 121.439 120.500 -0.572 0.000 3.256 14 R HA 0.162 4.510 4.340 0.014 0.000 0.263 14 R C -0.179 175.539 176.300 -0.968 0.000 1.388 14 R CA -0.352 55.016 56.100 -1.220 0.000 1.580 14 R CB 0.294 30.050 30.300 -0.906 0.000 1.255 14 R HN 0.491 nan 8.270 nan 0.000 0.640 15 D N 0.971 120.980 120.400 -0.653 0.000 2.311 15 D HA -0.183 4.466 4.640 0.014 0.000 0.212 15 D C 1.286 177.467 176.300 -0.199 0.000 0.972 15 D CA 1.146 54.881 54.000 -0.442 0.000 0.887 15 D CB 0.172 40.571 40.800 -0.668 0.000 0.915 15 D HN 0.633 nan 8.370 nan 0.000 0.497 16 W N 1.171 122.479 121.300 0.013 0.000 3.180 16 W HA 0.203 4.871 4.660 0.014 0.000 0.254 16 W C 0.525 177.128 176.519 0.140 0.000 1.318 16 W CA -0.248 57.209 57.345 0.185 0.000 1.608 16 W CB -0.250 29.371 29.460 0.268 0.000 1.124 16 W HN -0.196 nan 8.180 nan 0.000 0.694 17 E N 1.074 121.139 120.200 -0.224 0.000 3.157 17 E HA 0.060 4.418 4.350 0.014 0.000 0.203 17 E C -0.703 175.743 176.600 -0.256 0.000 0.982 17 E CA -0.215 56.087 56.400 -0.163 0.000 1.217 17 E CB -0.175 29.418 29.700 -0.179 0.000 1.123 17 E HN 0.014 nan 8.360 nan 0.000 0.457 18 N N 0.835 119.416 118.700 -0.197 0.000 2.549 18 N HA 0.168 4.916 4.740 0.014 0.000 0.290 18 N C -2.476 172.890 175.510 -0.239 0.000 1.122 18 N CA -2.003 50.896 53.050 -0.251 0.000 0.885 18 N CB 1.640 39.991 38.487 -0.228 0.000 1.455 18 N HN -0.205 nan 8.380 nan 0.000 0.521 19 P HA 0.116 nan 4.420 nan 0.000 0.233 19 P C 1.108 178.170 177.300 -0.397 0.000 1.167 19 P CA 0.580 63.353 63.100 -0.545 0.000 0.770 19 P CB 0.198 31.138 31.700 -1.267 0.000 0.837 20 G N -0.482 108.127 108.800 -0.318 0.000 2.511 20 G HA2 -0.004 3.964 3.960 0.014 0.000 0.217 20 G HA3 -0.004 3.964 3.960 0.014 0.000 0.217 20 G C 0.306 175.127 174.900 -0.132 0.000 1.133 20 G CA 0.233 45.201 45.100 -0.221 0.000 0.792 20 G HN 0.198 nan 8.290 nan 0.000 0.539 21 V N 1.831 121.684 119.914 -0.102 0.000 2.313 21 V HA 0.303 4.432 4.120 0.014 0.000 0.278 21 V C 0.877 177.015 176.094 0.075 0.000 1.017 21 V CA 0.183 62.471 62.300 -0.021 0.000 0.823 21 V CB 1.127 32.921 31.823 -0.049 0.000 1.010 21 V HN 0.330 nan 8.190 nan 0.000 0.443 22 T N 0.769 115.365 114.554 0.070 0.000 3.054 22 T HA 0.386 4.745 4.350 0.014 0.000 0.255 22 T C 0.222 174.980 174.700 0.098 0.000 1.035 22 T CA -0.055 62.098 62.100 0.088 0.000 0.941 22 T CB 0.218 69.092 68.868 0.009 0.000 1.026 22 T HN 0.708 nan 8.240 nan 0.000 0.533 23 Q N 0.249 120.155 119.800 0.177 0.000 2.848 23 Q HA 0.656 5.004 4.340 0.014 0.000 0.288 23 Q C -2.272 173.878 176.000 0.250 0.000 0.907 23 Q CA -1.049 54.857 55.803 0.172 0.000 0.792 23 Q CB 0.743 29.495 28.738 0.023 0.000 1.534 23 Q HN 0.214 nan 8.270 nan 0.000 0.419 24 L N 1.630 123.035 121.223 0.303 0.000 2.438 24 L HA 0.629 4.977 4.340 0.014 0.000 0.270 24 L C -0.571 176.440 176.870 0.234 0.000 0.972 24 L CA -0.947 54.068 54.840 0.290 0.000 0.831 24 L CB 1.914 44.261 42.059 0.479 0.000 1.273 24 L HN 0.834 nan 8.230 nan 0.000 0.405 25 N N 0.804 119.604 118.700 0.166 0.000 2.741 25 N HA -0.205 4.543 4.740 0.014 0.000 0.251 25 N C 0.160 175.757 175.510 0.145 0.000 1.112 25 N CA 0.813 53.947 53.050 0.140 0.000 0.750 25 N CB -0.803 37.722 38.487 0.064 0.000 1.119 25 N HN 0.661 nan 8.380 nan 0.000 0.561 26 R N 0.715 121.225 120.500 0.017 0.000 2.490 26 R HA 0.407 4.755 4.340 0.014 0.000 0.278 26 R C 0.602 176.760 176.300 -0.236 0.000 1.069 26 R CA -0.376 55.511 56.100 -0.355 0.000 1.080 26 R CB 0.559 30.637 30.300 -0.370 0.000 1.030 26 R HN 0.121 nan 8.270 nan 0.000 0.491 27 L N 2.684 123.734 121.223 -0.289 0.000 2.466 27 L HA 0.300 4.648 4.340 0.014 0.000 0.257 27 L C 0.656 177.472 176.870 -0.089 0.000 1.189 27 L CA -0.538 54.228 54.840 -0.124 0.000 0.813 27 L CB 0.688 42.703 42.059 -0.074 0.000 1.118 27 L HN 0.746 nan 8.230 nan 0.000 0.471 28 A N 1.165 123.973 122.820 -0.020 0.000 2.466 28 A HA 0.509 4.837 4.320 0.014 0.000 0.238 28 A C 0.281 177.882 177.584 0.028 0.000 1.074 28 A CA 0.038 52.074 52.037 -0.002 0.000 0.774 28 A CB 0.175 19.196 19.000 0.034 0.000 1.015 28 A HN 0.796 nan 8.150 nan 0.000 0.498 29 A N 1.075 123.864 122.820 -0.050 0.000 2.313 29 A HA 0.713 5.042 4.320 0.014 0.000 0.261 29 A C 0.068 177.567 177.584 -0.142 0.000 1.090 29 A CA 0.432 52.363 52.037 -0.177 0.000 0.807 29 A CB 0.013 18.899 19.000 -0.190 0.000 1.055 29 A HN 1.917 nan 8.150 nan 0.000 0.492 30 H N -2.662 116.248 119.070 -0.267 0.000 2.935 30 H HA 0.615 5.179 4.556 0.014 0.000 0.297 30 H C -3.413 171.622 175.328 -0.488 0.000 1.423 30 H CA -1.732 54.090 56.048 -0.377 0.000 1.161 30 H CB 0.115 29.533 29.762 -0.573 0.000 1.841 30 H HN 0.389 nan 8.280 nan 0.000 0.506 31 P HA 0.241 nan 4.420 nan 0.000 0.274 31 P C -2.608 174.504 177.300 -0.313 0.000 1.256 31 P CA -1.553 61.316 63.100 -0.386 0.000 0.795 31 P CB -0.194 31.216 31.700 -0.483 0.000 1.038 32 P HA 0.053 nan 4.420 nan 0.000 0.261 32 P C -0.816 176.682 177.300 0.330 0.000 1.183 32 P CA 1.143 64.277 63.100 0.058 0.000 0.761 32 P CB -0.128 31.647 31.700 0.125 0.000 0.785 33 F N 1.327 121.376 119.950 0.165 0.000 2.579 33 F HA 0.613 5.148 4.527 0.014 0.000 0.324 33 F C 0.878 176.596 175.800 -0.137 0.000 1.058 33 F CA -1.080 56.962 58.000 0.071 0.000 0.944 33 F CB 2.264 41.274 39.000 0.017 0.000 1.245 33 F HN 0.195 nan 8.300 nan 0.000 0.477 34 A N 0.386 123.105 122.820 -0.169 0.000 2.653 34 A HA 0.278 4.606 4.320 0.014 0.000 0.248 34 A C 0.544 177.823 177.584 -0.508 0.000 1.211 34 A CA 0.310 52.014 52.037 -0.554 0.000 0.991 34 A CB -0.018 18.121 19.000 -1.435 0.000 1.252 34 A HN 0.734 nan 8.150 nan 0.000 0.593 35 S N 0.375 115.890 115.700 -0.307 0.000 3.550 35 S HA -0.142 4.337 4.470 0.014 0.000 0.372 35 S C -0.042 174.492 174.600 -0.109 0.000 0.966 35 S CA 0.407 58.484 58.200 -0.204 0.000 1.229 35 S CB -1.490 61.584 63.200 -0.211 0.000 0.917 35 S HN 0.498 nan 8.310 nan 0.000 0.496 36 W N 1.590 122.876 121.300 -0.024 0.000 2.181 36 W HA 0.242 4.910 4.660 0.013 0.000 0.335 36 W C 1.285 177.795 176.519 -0.014 0.000 1.310 36 W CA -0.503 56.840 57.345 -0.004 0.000 1.226 36 W CB 0.279 29.734 29.460 -0.008 0.000 1.155 36 W HN 0.308 nan 8.180 nan 0.000 0.565 37 R N 1.997 122.643 120.500 0.242 0.000 2.577 37 R HA 0.083 4.431 4.340 0.014 0.000 0.344 37 R C -0.064 176.308 176.300 0.120 0.000 1.037 37 R CA -0.131 56.053 56.100 0.140 0.000 1.102 37 R CB -0.161 30.205 30.300 0.110 0.000 1.313 37 R HN 0.364 nan 8.270 nan 0.000 0.561 38 N N 0.149 118.933 118.700 0.140 0.000 2.480 38 N HA 0.116 4.864 4.740 0.014 0.000 0.289 38 N C -0.102 175.398 175.510 -0.016 0.000 1.073 38 N CA 0.001 53.086 53.050 0.057 0.000 0.885 38 N CB 1.789 40.310 38.487 0.056 0.000 1.421 38 N HN -0.253 nan 8.380 nan 0.000 0.503 39 S N 2.327 117.996 115.700 -0.051 0.000 2.382 39 S HA -0.164 4.314 4.470 0.014 0.000 0.228 39 S C 1.399 175.858 174.600 -0.236 0.000 1.027 39 S CA 1.168 59.296 58.200 -0.120 0.000 0.991 39 S CB 0.010 63.167 63.200 -0.072 0.000 0.823 39 S HN 0.732 nan 8.310 nan 0.000 0.469 40 E N 1.538 121.617 120.200 -0.202 0.000 2.106 40 E HA -0.120 4.238 4.350 0.014 0.000 0.192 40 E C 1.895 178.304 176.600 -0.318 0.000 0.984 40 E CA 1.089 57.329 56.400 -0.267 0.000 0.806 40 E CB -0.143 29.451 29.700 -0.177 0.000 0.750 40 E HN 0.285 nan 8.360 nan 0.000 0.458 41 E N 0.090 120.127 120.200 -0.271 0.000 2.106 41 E HA -0.107 4.251 4.350 0.014 0.000 0.192 41 E C 1.962 178.087 176.600 -0.792 0.000 0.984 41 E CA 1.044 57.260 56.400 -0.307 0.000 0.806 41 E CB -0.429 29.238 29.700 -0.055 0.000 0.750 41 E HN 0.370 nan 8.360 nan 0.000 0.458 42 A N 1.643 123.778 122.820 -1.142 0.000 1.902 42 A HA -0.194 4.135 4.320 0.014 0.000 0.217 42 A C 2.238 179.201 177.584 -1.036 0.000 1.181 42 A CA 1.623 52.549 52.037 -1.853 0.000 0.623 42 A CB -0.511 17.859 19.000 -1.050 0.000 0.818 42 A HN 0.142 nan 8.150 nan 0.000 0.443 43 R N -0.117 119.980 120.500 -0.671 0.000 2.083 43 R HA -0.157 4.191 4.340 0.014 0.000 0.237 43 R C 1.995 178.031 176.300 -0.440 0.000 1.137 43 R CA 2.219 57.976 56.100 -0.571 0.000 0.951 43 R CB -0.554 29.283 30.300 -0.771 0.000 0.851 43 R HN 0.623 nan 8.270 nan 0.000 0.434 44 T N -2.732 111.585 114.554 -0.396 0.000 3.129 44 T HA 0.037 4.396 4.350 0.014 0.000 0.251 44 T C 0.325 174.930 174.700 -0.159 0.000 1.117 44 T CA 0.630 62.585 62.100 -0.241 0.000 1.034 44 T CB 0.041 68.794 68.868 -0.192 0.000 0.968 44 T HN 0.410 nan 8.240 nan 0.000 0.526 45 D N 0.500 120.767 120.400 -0.222 0.000 3.041 45 D HA -0.157 4.491 4.640 0.014 0.000 0.220 45 D C 0.118 176.525 176.300 0.178 0.000 1.157 45 D CA 0.523 54.533 54.000 0.016 0.000 0.876 45 D CB -1.021 39.832 40.800 0.088 0.000 1.107 45 D HN 0.598 nan 8.370 nan 0.000 0.422 46 R N -0.034 120.546 120.500 0.132 0.000 2.583 46 R HA 0.537 4.885 4.340 0.014 0.000 0.268 46 R C -2.172 174.403 176.300 0.457 0.000 1.101 46 R CA -1.407 54.825 56.100 0.220 0.000 1.180 46 R CB 0.116 30.486 30.300 0.116 0.000 1.128 46 R HN 0.048 nan 8.270 nan 0.000 0.568 47 P HA -0.023 nan 4.420 nan 0.000 0.269 47 P C -0.810 176.660 177.300 0.283 0.000 1.215 47 P CA 0.161 63.409 63.100 0.247 0.000 0.780 47 P CB 0.754 32.541 31.700 0.145 0.000 0.898 48 S N 1.088 116.826 115.700 0.064 0.000 2.449 48 S HA 0.151 4.630 4.470 0.014 0.000 0.310 48 S C 0.829 175.451 174.600 0.036 0.000 1.096 48 S CA -0.461 57.711 58.200 -0.047 0.000 1.095 48 S CB 0.473 63.365 63.200 -0.513 0.000 1.007 48 S HN 0.319 nan 8.310 nan 0.000 0.474 49 Q N 2.142 122.007 119.800 0.108 0.000 2.488 49 Q HA -0.007 4.341 4.340 0.014 0.000 0.211 49 Q C 1.114 177.260 176.000 0.243 0.000 0.967 49 Q CA 0.722 56.612 55.803 0.145 0.000 0.926 49 Q CB 0.139 28.964 28.738 0.145 0.000 0.992 49 Q HN 0.683 nan 8.270 nan 0.000 0.506 50 Q N -0.221 119.688 119.800 0.182 0.000 2.444 50 Q HA 0.041 4.389 4.340 0.014 0.000 0.206 50 Q C -0.083 176.011 176.000 0.158 0.000 0.948 50 Q CA 0.331 56.269 55.803 0.224 0.000 0.946 50 Q CB 0.358 29.122 28.738 0.043 0.000 1.027 50 Q HN 0.145 nan 8.270 nan 0.000 0.513 51 L N 0.804 122.087 121.223 0.100 0.000 2.342 51 L HA 0.393 4.741 4.340 0.014 0.000 0.276 51 L C -1.055 175.876 176.870 0.101 0.000 0.997 51 L CA -0.249 54.627 54.840 0.060 0.000 0.838 51 L CB 1.253 43.270 42.059 -0.071 0.000 1.224 51 L HN -0.181 nan 8.230 nan 0.000 0.416 52 R N 2.523 123.109 120.500 0.144 0.000 2.637 52 R HA 0.621 4.969 4.340 0.014 0.000 0.291 52 R C -0.812 175.518 176.300 0.050 0.000 0.963 52 R CA -0.748 55.412 56.100 0.099 0.000 0.901 52 R CB 2.174 32.545 30.300 0.117 0.000 1.160 52 R HN 0.669 nan 8.270 nan 0.000 0.457 53 S N 2.302 118.023 115.700 0.035 0.000 2.508 53 S HA 0.294 4.773 4.470 0.014 0.000 0.284 53 S C 0.620 175.239 174.600 0.032 0.000 1.192 53 S CA -0.670 57.545 58.200 0.024 0.000 1.070 53 S CB 0.621 63.843 63.200 0.035 0.000 1.004 53 S HN 0.573 nan 8.310 nan 0.000 0.493 54 L N 3.420 124.666 121.223 0.039 0.000 2.700 54 L HA 0.287 4.635 4.340 0.014 0.000 0.234 54 L C 0.205 177.251 176.870 0.293 0.000 1.156 54 L CA -0.378 54.524 54.840 0.103 0.000 0.946 54 L CB -0.434 41.661 42.059 0.061 0.000 1.216 54 L HN 0.521 nan 8.230 nan 0.000 0.493 55 N N 1.380 120.186 118.700 0.177 0.000 2.479 55 N HA 0.442 5.190 4.740 0.014 0.000 0.257 55 N C 0.635 176.280 175.510 0.226 0.000 1.232 55 N CA 1.022 54.178 53.050 0.177 0.000 0.920 55 N CB 1.173 39.700 38.487 0.067 0.000 1.105 55 N HN 0.303 nan 8.380 nan 0.000 0.444 56 G N 0.548 109.503 108.800 0.259 0.000 2.288 56 G HA2 -0.060 3.909 3.960 0.014 0.000 0.227 56 G HA3 -0.060 3.909 3.960 0.014 0.000 0.227 56 G C -1.603 173.511 174.900 0.357 0.000 1.339 56 G CA -0.811 44.431 45.100 0.238 0.000 1.057 56 G HN 0.470 nan 8.290 nan 0.000 0.470 57 E N -0.120 120.256 120.200 0.293 0.000 2.229 57 E HA 0.483 4.841 4.350 0.014 0.000 0.283 57 E C -1.021 175.828 176.600 0.415 0.000 1.030 57 E CA -0.163 56.431 56.400 0.324 0.000 0.836 57 E CB 1.197 31.006 29.700 0.182 0.000 1.068 57 E HN 0.370 nan 8.360 nan 0.000 0.401 58 W N 1.522 122.921 121.300 0.164 0.000 2.850 58 W HA 0.400 5.069 4.660 0.014 0.000 0.349 58 W C 0.103 176.757 176.519 0.226 0.000 1.133 58 W CA -0.749 56.726 57.345 0.216 0.000 1.117 58 W CB 0.880 30.527 29.460 0.312 0.000 1.442 58 W HN 0.186 nan 8.180 nan 0.000 0.575 59 R N 1.523 122.319 120.500 0.494 0.000 2.474 59 R HA 0.632 4.981 4.340 0.014 0.000 0.295 59 R C -1.487 175.078 176.300 0.442 0.000 0.980 59 R CA -0.895 55.427 56.100 0.370 0.000 0.934 59 R CB 1.444 31.900 30.300 0.260 0.000 1.101 59 R HN 0.494 nan 8.270 nan 0.000 0.469 60 F N 0.302 120.303 119.950 0.086 0.000 2.608 60 F HA 0.629 5.164 4.527 0.014 0.000 0.309 60 F C -1.671 173.982 175.800 -0.244 0.000 1.103 60 F CA -0.622 57.285 58.000 -0.156 0.000 0.954 60 F CB 1.964 40.752 39.000 -0.353 0.000 1.267 60 F HN 0.632 nan 8.300 nan 0.000 0.444 61 A N 4.131 126.232 122.820 -1.199 0.000 2.449 61 A HA 0.618 4.946 4.320 0.014 0.000 0.302 61 A C -2.433 174.138 177.584 -1.689 0.000 1.048 61 A CA -0.562 50.807 52.037 -1.112 0.000 0.708 61 A CB 0.884 19.511 19.000 -0.623 0.000 1.274 61 A HN 0.962 nan 8.150 nan 0.000 0.410 62 W N 2.473 122.854 121.300 -1.532 0.000 2.469 62 W HA 0.739 5.407 4.660 0.014 0.000 0.320 62 W C -1.833 173.999 176.519 -1.145 0.000 1.086 62 W CA -0.341 56.259 57.345 -1.241 0.000 1.211 62 W CB 1.067 30.084 29.460 -0.739 0.000 1.298 62 W HN 0.498 nan 8.180 nan 0.000 0.525 63 F N 6.264 125.534 119.950 -1.134 0.000 2.588 63 F HA 0.391 4.926 4.527 0.014 0.000 0.314 63 F C -1.255 173.686 175.800 -1.431 0.000 1.069 63 F CA -2.255 55.200 58.000 -0.908 0.000 0.931 63 F CB 1.711 40.340 39.000 -0.619 0.000 1.260 63 F HN 0.205 nan 8.300 nan 0.000 0.465 64 P HA 0.085 nan 4.420 nan 0.000 0.225 64 P C -0.268 176.894 177.300 -0.230 0.000 1.156 64 P CA 1.010 63.861 63.100 -0.415 0.000 0.787 64 P CB 0.676 32.392 31.700 0.027 0.000 0.802 65 A N -1.032 121.667 122.820 -0.202 0.000 2.586 65 A HA 0.516 4.844 4.320 0.014 0.000 0.291 65 A C -2.433 175.036 177.584 -0.191 0.000 1.062 65 A CA -0.941 51.017 52.037 -0.131 0.000 0.666 65 A CB 0.341 19.329 19.000 -0.020 0.000 1.281 65 A HN -0.287 nan 8.150 nan 0.000 0.421 66 P HA -0.094 nan 4.420 nan 0.000 0.218 66 P C 0.684 177.891 177.300 -0.156 0.000 1.149 66 P CA 1.523 64.492 63.100 -0.218 0.000 0.817 66 P CB 0.163 31.718 31.700 -0.241 0.000 0.785 67 E N 0.074 120.242 120.200 -0.055 0.000 2.333 67 E HA -0.058 4.300 4.350 0.014 0.000 0.198 67 E C 1.914 178.441 176.600 -0.122 0.000 1.007 67 E CA 1.167 57.541 56.400 -0.044 0.000 0.845 67 E CB -0.771 28.938 29.700 0.016 0.000 0.766 67 E HN 0.258 nan 8.360 nan 0.000 0.507 68 A N 0.289 122.993 122.820 -0.194 0.000 2.275 68 A HA 0.136 4.464 4.320 0.014 0.000 0.212 68 A C 0.646 177.883 177.584 -0.577 0.000 1.201 68 A CA -0.218 51.684 52.037 -0.225 0.000 0.843 68 A CB 0.387 19.351 19.000 -0.061 0.000 0.873 68 A HN 0.038 nan 8.150 nan 0.000 0.492 69 V N 2.469 121.913 119.914 -0.784 0.000 2.555 69 V HA 0.213 4.341 4.120 0.014 0.000 0.286 69 V C -2.339 173.417 176.094 -0.564 0.000 1.044 69 V CA -1.365 60.226 62.300 -1.182 0.000 1.026 69 V CB 0.875 32.062 31.823 -1.060 0.000 0.981 69 V HN 0.241 nan 8.190 nan 0.000 0.480 70 P HA 0.283 nan 4.420 nan 0.000 0.280 70 P C 0.251 177.498 177.300 -0.088 0.000 1.244 70 P CA -0.418 62.580 63.100 -0.171 0.000 0.784 70 P CB 0.973 32.631 31.700 -0.071 0.000 0.913 71 E N 0.921 121.078 120.200 -0.071 0.000 2.265 71 E HA -0.149 4.209 4.350 0.014 0.000 0.196 71 E C 1.735 178.305 176.600 -0.049 0.000 0.996 71 E CA 1.456 57.816 56.400 -0.065 0.000 0.832 71 E CB -0.807 28.856 29.700 -0.061 0.000 0.756 71 E HN 0.515 nan 8.360 nan 0.000 0.491 72 S N -0.566 115.127 115.700 -0.011 0.000 2.419 72 S HA -0.186 4.293 4.470 0.014 0.000 0.233 72 S C 1.844 176.449 174.600 0.009 0.000 1.016 72 S CA 0.721 58.918 58.200 -0.005 0.000 0.974 72 S CB -0.773 62.437 63.200 0.017 0.000 0.786 72 S HN 0.532 nan 8.310 nan 0.000 0.492 73 W N 2.469 123.680 121.300 -0.147 0.000 2.364 73 W HA 0.021 4.689 4.660 0.014 0.000 0.281 73 W C 1.538 177.955 176.519 -0.171 0.000 1.219 73 W CA 0.846 58.108 57.345 -0.138 0.000 1.220 73 W CB -0.370 28.990 29.460 -0.166 0.000 1.127 73 W HN 0.264 nan 8.180 nan 0.000 0.556 74 L N 0.324 121.299 121.223 -0.413 0.000 2.131 74 L HA -0.166 4.182 4.340 0.014 0.000 0.210 74 L C 2.235 178.862 176.870 -0.406 0.000 1.092 74 L CA 1.755 56.200 54.840 -0.659 0.000 0.759 74 L CB -0.665 41.040 42.059 -0.590 0.000 0.903 74 L HN -0.030 nan 8.230 nan 0.000 0.435 75 E N -1.073 118.980 120.200 -0.244 0.000 2.307 75 E HA 0.002 4.360 4.350 0.014 0.000 0.195 75 E C 0.085 176.611 176.600 -0.124 0.000 0.975 75 E CA 0.279 56.593 56.400 -0.142 0.000 0.878 75 E CB 0.609 30.259 29.700 -0.082 0.000 0.845 75 E HN 0.523 nan 8.360 nan 0.000 0.488 76 C N -0.849 118.376 119.300 -0.126 0.000 3.302 76 C HA 0.472 4.940 4.460 0.014 0.000 0.347 76 C C -0.767 174.205 174.990 -0.031 0.000 1.218 76 C CA -1.667 57.306 59.018 -0.075 0.000 1.234 76 C CB 0.556 28.274 27.740 -0.037 0.000 1.551 76 C HN 0.177 nan 8.230 nan 0.000 0.501 77 D N 1.275 121.674 120.400 -0.002 0.000 2.648 77 D HA 0.202 4.851 4.640 0.014 0.000 0.229 77 D C 0.042 176.410 176.300 0.113 0.000 1.119 77 D CA 0.630 54.672 54.000 0.070 0.000 0.850 77 D CB 0.495 41.331 40.800 0.059 0.000 1.169 77 D HN 0.608 nan 8.370 nan 0.000 0.489 78 L N 5.884 127.222 121.223 0.193 0.000 2.367 78 L HA 0.198 4.546 4.340 0.014 0.000 0.275 78 L C -1.175 175.754 176.870 0.099 0.000 1.129 78 L CA -1.532 53.403 54.840 0.158 0.000 0.839 78 L CB 1.046 43.217 42.059 0.187 0.000 1.133 78 L HN 0.518 nan 8.230 nan 0.000 0.453 79 P HA -0.152 nan 4.420 nan 0.000 0.217 79 P C 0.728 178.053 177.300 0.042 0.000 1.150 79 P CA 1.002 64.133 63.100 0.050 0.000 0.832 79 P CB 0.175 31.898 31.700 0.039 0.000 0.787 80 E N -0.437 119.783 120.200 0.033 0.000 2.511 80 E HA 0.203 4.561 4.350 0.014 0.000 0.196 80 E C 0.793 177.393 176.600 -0.000 0.000 1.066 80 E CA -0.004 56.402 56.400 0.010 0.000 0.871 80 E CB -0.617 29.074 29.700 -0.015 0.000 0.863 80 E HN 0.133 nan 8.360 nan 0.000 0.520 81 A N 1.114 123.947 122.820 0.021 0.000 2.332 81 A HA 0.232 4.560 4.320 0.014 0.000 0.258 81 A C -0.228 177.404 177.584 0.080 0.000 1.087 81 A CA -0.518 51.532 52.037 0.022 0.000 0.802 81 A CB 0.451 19.493 19.000 0.070 0.000 1.042 81 A HN 0.011 nan 8.150 nan 0.000 0.489 82 D N -0.105 120.374 120.400 0.131 0.000 2.326 82 D HA 0.498 5.147 4.640 0.014 0.000 0.248 82 D C -0.632 175.785 176.300 0.194 0.000 1.001 82 D CA 0.047 54.147 54.000 0.167 0.000 0.961 82 D CB 1.496 42.449 40.800 0.254 0.000 1.183 82 D HN 0.382 nan 8.370 nan 0.000 0.502 83 T N 0.612 115.262 114.554 0.160 0.000 2.744 83 T HA 0.490 4.848 4.350 0.014 0.000 0.291 83 T C 0.106 174.902 174.700 0.160 0.000 0.957 83 T CA -0.555 61.649 62.100 0.173 0.000 1.002 83 T CB 0.625 69.569 68.868 0.126 0.000 0.919 83 T HN 0.260 nan 8.240 nan 0.000 0.468 84 V N 1.336 121.379 119.914 0.214 0.000 3.040 84 V HA 0.769 4.897 4.120 0.014 0.000 0.312 84 V C -0.235 175.997 176.094 0.230 0.000 1.115 84 V CA -1.103 61.292 62.300 0.159 0.000 0.998 84 V CB 1.654 33.583 31.823 0.176 0.000 1.042 84 V HN 0.515 nan 8.190 nan 0.000 0.433 85 V N 2.540 122.566 119.914 0.187 0.000 2.572 85 V HA 0.386 4.514 4.120 0.014 0.000 0.291 85 V C 0.196 176.385 176.094 0.158 0.000 1.039 85 V CA 0.045 62.455 62.300 0.183 0.000 1.055 85 V CB 1.104 33.006 31.823 0.132 0.000 0.969 85 V HN 0.732 nan 8.190 nan 0.000 0.482 86 V N 7.495 127.432 119.914 0.038 0.000 2.540 86 V HA 0.439 4.567 4.120 0.014 0.000 0.302 86 V C -2.233 173.775 176.094 -0.144 0.000 1.035 86 V CA -1.750 60.430 62.300 -0.201 0.000 0.873 86 V CB 2.368 33.728 31.823 -0.771 0.000 0.992 86 V HN 0.758 nan 8.190 nan 0.000 0.428 87 P HA 0.414 nan 4.420 nan 0.000 0.275 87 P C -0.798 176.438 177.300 -0.106 0.000 1.228 87 P CA -0.090 62.905 63.100 -0.175 0.000 0.786 87 P CB 1.264 32.870 31.700 -0.158 0.000 0.927 88 S N 0.541 116.179 115.700 -0.103 0.000 2.587 88 S HA 0.428 4.907 4.470 0.014 0.000 0.269 88 S C -1.200 173.321 174.600 -0.131 0.000 1.154 88 S CA -1.012 57.108 58.200 -0.133 0.000 0.824 88 S CB 0.616 63.691 63.200 -0.209 0.000 1.118 88 S HN 0.320 nan 8.310 nan 0.000 0.462 89 N N 0.921 119.486 118.700 -0.226 0.000 2.421 89 N HA 0.437 5.185 4.740 0.014 0.000 0.285 89 N C 0.516 175.855 175.510 -0.284 0.000 1.027 89 N CA -0.786 52.105 53.050 -0.266 0.000 0.918 89 N CB 0.695 38.997 38.487 -0.309 0.000 1.152 89 N HN 0.866 nan 8.380 nan 0.000 0.485 90 W N 2.287 123.456 121.300 -0.218 0.000 2.465 90 W HA -0.027 4.642 4.660 0.014 0.000 0.268 90 W C 0.950 177.444 176.519 -0.041 0.000 1.242 90 W CA 0.584 57.797 57.345 -0.220 0.000 1.248 90 W CB -0.334 28.985 29.460 -0.236 0.000 1.118 90 W HN 0.518 nan 8.180 nan 0.000 0.587 91 Q N 0.462 120.250 119.800 -0.020 0.000 2.224 91 Q HA -0.080 4.268 4.340 0.014 0.000 0.203 91 Q C 2.123 178.064 176.000 -0.098 0.000 0.970 91 Q CA 1.580 57.366 55.803 -0.029 0.000 0.865 91 Q CB -0.507 28.093 28.738 -0.231 0.000 0.922 91 Q HN 0.247 nan 8.270 nan 0.000 0.445 92 M N -0.833 118.667 119.600 -0.166 0.000 2.630 92 M HA -0.036 4.452 4.480 0.014 0.000 0.254 92 M C 0.568 176.905 176.300 0.062 0.000 1.092 92 M CA 1.296 56.518 55.300 -0.131 0.000 1.087 92 M CB -0.526 31.980 32.600 -0.158 0.000 1.453 92 M HN 0.367 nan 8.290 nan 0.000 0.509 93 H N -0.873 118.219 119.070 0.036 0.000 2.586 93 H HA 0.293 4.857 4.556 0.014 0.000 0.273 93 H C 1.219 176.450 175.328 -0.163 0.000 0.997 93 H CA 0.103 56.157 56.048 0.010 0.000 1.177 93 H CB 0.449 30.315 29.762 0.174 0.000 1.471 93 H HN 0.545 nan 8.280 nan 0.000 0.538 94 G N 0.595 109.403 108.800 0.013 0.000 2.143 94 G HA2 -0.361 3.607 3.960 0.014 0.000 0.249 94 G HA3 -0.361 3.607 3.960 0.014 0.000 0.249 94 G C 0.333 175.098 174.900 -0.226 0.000 0.981 94 G CA 0.327 45.356 45.100 -0.117 0.000 0.665 94 G HN 0.481 nan 8.290 nan 0.000 0.528 95 Y N 1.401 121.699 120.300 -0.003 0.000 2.314 95 Y HA 0.274 4.832 4.550 0.014 0.000 0.293 95 Y C 1.636 177.263 175.900 -0.455 0.000 1.129 95 Y CA 1.441 59.406 58.100 -0.226 0.000 1.201 95 Y CB 0.285 38.662 38.460 -0.137 0.000 0.999 95 Y HN 0.631 nan 8.280 nan 0.000 0.541 96 D N -1.719 118.733 120.400 0.086 0.000 2.665 96 D HA 0.486 5.134 4.640 0.014 0.000 0.287 96 D C -1.191 175.188 176.300 0.131 0.000 1.266 96 D CA -0.919 53.144 54.000 0.105 0.000 0.830 96 D CB 0.810 41.799 40.800 0.316 0.000 1.356 96 D HN -0.067 nan 8.370 nan 0.000 0.437 97 A N 0.129 123.037 122.820 0.146 0.000 2.327 97 A HA 0.688 5.016 4.320 0.014 0.000 0.283 97 A C -2.310 175.304 177.584 0.050 0.000 1.127 97 A CA -1.179 50.921 52.037 0.105 0.000 0.810 97 A CB 0.102 19.234 19.000 0.220 0.000 1.066 97 A HN 0.543 nan 8.150 nan 0.000 0.492 98 P HA 0.408 nan 4.420 nan 0.000 0.275 98 P C -0.901 176.576 177.300 0.296 0.000 1.228 98 P CA 0.123 63.163 63.100 -0.100 0.000 0.786 98 P CB 0.770 32.121 31.700 -0.582 0.000 0.927 99 I N 2.514 123.354 120.570 0.450 0.000 2.433 99 I HA 0.248 4.427 4.170 0.014 0.000 0.292 99 I C -0.470 175.865 176.117 0.364 0.000 1.001 99 I CA -0.979 60.591 61.300 0.451 0.000 1.119 99 I CB 1.627 39.819 38.000 0.320 0.000 1.289 99 I HN 0.292 nan 8.210 nan 0.000 0.438 100 Y N 6.103 126.377 120.300 -0.045 0.000 2.593 100 Y HA 0.478 5.036 4.550 0.014 0.000 0.331 100 Y C -0.249 175.516 175.900 -0.225 0.000 0.986 100 Y CA -0.358 57.428 58.100 -0.523 0.000 1.262 100 Y CB 0.998 38.620 38.460 -1.396 0.000 1.098 100 Y HN 0.525 nan 8.280 nan 0.000 0.506 101 T N 5.083 119.132 114.554 -0.842 0.000 2.876 101 T HA 0.255 4.613 4.350 0.014 0.000 0.289 101 T C 0.201 174.447 174.700 -0.756 0.000 1.014 101 T CA -0.582 61.074 62.100 -0.739 0.000 0.986 101 T CB 1.062 69.728 68.868 -0.337 0.000 1.021 101 T HN 0.760 nan 8.240 nan 0.000 0.458 102 N N 2.919 121.235 118.700 -0.640 0.000 2.288 102 N HA 0.059 4.807 4.740 0.014 0.000 0.199 102 N C 1.555 176.848 175.510 -0.361 0.000 1.043 102 N CA 1.571 54.412 53.050 -0.348 0.000 0.947 102 N CB -0.655 37.687 38.487 -0.241 0.000 1.140 102 N HN 0.385 nan 8.380 nan 0.000 0.490 103 V N 0.325 119.958 119.914 -0.469 0.000 2.341 103 V HA 0.102 4.231 4.120 0.014 0.000 0.240 103 V C 0.557 176.376 176.094 -0.459 0.000 1.035 103 V CA 1.006 62.948 62.300 -0.596 0.000 1.033 103 V CB -1.003 30.366 31.823 -0.756 0.000 0.678 103 V HN 0.347 nan 8.190 nan 0.000 0.464 104 T N 0.790 115.139 114.554 -0.341 0.000 2.934 104 T HA 0.101 4.460 4.350 0.014 0.000 0.306 104 T C -0.351 174.239 174.700 -0.184 0.000 1.042 104 T CA 0.348 62.320 62.100 -0.213 0.000 1.145 104 T CB -0.198 68.573 68.868 -0.163 0.000 0.982 104 T HN 0.176 nan 8.240 nan 0.000 0.544 105 Y N 4.339 124.549 120.300 -0.150 0.000 2.550 105 Y HA 0.129 4.688 4.550 0.014 0.000 0.343 105 Y C -0.779 175.003 175.900 -0.197 0.000 1.245 105 Y CA -1.641 56.359 58.100 -0.167 0.000 1.462 105 Y CB 0.428 38.777 38.460 -0.185 0.000 1.340 105 Y HN 0.512 nan 8.280 nan 0.000 0.604 106 P HA -0.003 nan 4.420 nan 0.000 0.241 106 P C -0.345 176.757 177.300 -0.331 0.000 1.191 106 P CA 1.109 64.122 63.100 -0.145 0.000 0.771 106 P CB 0.052 31.721 31.700 -0.051 0.000 0.929 107 I N -5.503 114.840 120.570 -0.379 0.000 3.108 107 I HA 0.497 4.675 4.170 0.014 0.000 0.312 107 I C -0.556 175.427 176.117 -0.224 0.000 1.095 107 I CA -1.268 59.774 61.300 -0.429 0.000 1.000 107 I CB 1.579 39.167 38.000 -0.687 0.000 1.229 107 I HN -0.479 nan 8.210 nan 0.000 0.454 108 T N 2.603 117.066 114.554 -0.152 0.000 2.908 108 T HA 0.134 4.493 4.350 0.014 0.000 0.301 108 T C 0.176 174.850 174.700 -0.043 0.000 1.019 108 T CA -0.173 61.889 62.100 -0.063 0.000 1.152 108 T CB 0.420 69.276 68.868 -0.020 0.000 0.966 108 T HN 0.372 nan 8.240 nan 0.000 0.540 109 V N 5.189 125.092 119.914 -0.019 0.000 2.381 109 V HA 0.214 4.342 4.120 0.014 0.000 0.257 109 V C 0.742 176.880 176.094 0.074 0.000 1.057 109 V CA -0.156 62.149 62.300 0.009 0.000 1.013 109 V CB -0.241 31.578 31.823 -0.008 0.000 1.069 109 V HN 0.847 nan 8.190 nan 0.000 0.484 110 N N 5.859 124.661 118.700 0.170 0.000 2.666 110 N HA 0.247 4.996 4.740 0.014 0.000 0.253 110 N C -2.933 172.654 175.510 0.129 0.000 1.621 110 N CA -1.279 51.864 53.050 0.156 0.000 0.785 110 N CB 1.364 39.976 38.487 0.209 0.000 1.332 110 N HN 0.267 nan 8.380 nan 0.000 0.514 111 P HA 0.154 nan 4.420 nan 0.000 0.264 111 P C -2.226 174.884 177.300 -0.317 0.000 1.183 111 P CA -0.610 62.122 63.100 -0.614 0.000 0.763 111 P CB 0.526 31.741 31.700 -0.809 0.000 0.807 112 P HA 0.215 nan 4.420 nan 0.000 0.269 112 P C -0.351 176.793 177.300 -0.260 0.000 1.478 112 P CA -0.309 62.546 63.100 -0.409 0.000 1.045 112 P CB 0.105 31.550 31.700 -0.425 0.000 1.512 113 F N 1.133 121.174 119.950 0.152 0.000 2.406 113 F HA 0.276 4.811 4.527 0.014 0.000 0.327 113 F C 1.434 177.397 175.800 0.271 0.000 1.153 113 F CA -0.489 57.620 58.000 0.182 0.000 1.218 113 F CB 0.642 39.703 39.000 0.101 0.000 1.215 113 F HN -0.201 nan 8.300 nan 0.000 0.570 114 V N -1.180 119.007 119.914 0.456 0.000 3.126 114 V HA 0.686 4.815 4.120 0.014 0.000 0.314 114 V C -2.801 173.455 176.094 0.270 0.000 1.138 114 V CA -2.946 59.544 62.300 0.315 0.000 1.034 114 V CB 1.364 33.417 31.823 0.384 0.000 1.075 114 V HN 0.464 nan 8.190 nan 0.000 0.442 115 P HA 0.206 nan 4.420 nan 0.000 0.267 115 P C 0.987 178.422 177.300 0.225 0.000 1.200 115 P CA 0.468 63.656 63.100 0.147 0.000 0.772 115 P CB 0.529 32.281 31.700 0.086 0.000 0.855 116 T N -1.416 113.243 114.554 0.175 0.000 2.904 116 T HA -0.075 4.283 4.350 0.014 0.000 0.267 116 T C 0.618 175.422 174.700 0.174 0.000 1.059 116 T CA 0.738 62.948 62.100 0.183 0.000 1.137 116 T CB -0.447 68.496 68.868 0.126 0.000 0.879 116 T HN 0.382 nan 8.240 nan 0.000 0.467 117 E N 2.624 122.925 120.200 0.167 0.000 1.932 117 E HA 0.208 4.566 4.350 0.014 0.000 0.275 117 E C -0.745 176.001 176.600 0.244 0.000 1.159 117 E CA -0.318 56.185 56.400 0.171 0.000 0.905 117 E CB 0.102 29.906 29.700 0.174 0.000 1.059 117 E HN 0.220 nan 8.360 nan 0.000 0.400 118 N N 4.824 123.640 118.700 0.194 0.000 2.617 118 N HA 0.248 4.996 4.740 0.014 0.000 0.263 118 N C -2.881 172.648 175.510 0.033 0.000 1.074 118 N CA -2.404 50.794 53.050 0.246 0.000 0.841 118 N CB 1.223 39.846 38.487 0.226 0.000 1.221 118 N HN 0.048 nan 8.380 nan 0.000 0.529 119 P HA 0.012 nan 4.420 nan 0.000 0.260 119 P C -0.821 176.358 177.300 -0.201 0.000 1.172 119 P CA 0.542 63.549 63.100 -0.154 0.000 0.760 119 P CB 0.415 32.312 31.700 0.329 0.000 0.773 120 T N 2.698 116.868 114.554 -0.639 0.000 2.812 120 T HA 0.578 4.937 4.350 0.014 0.000 0.282 120 T C 0.253 174.407 174.700 -0.909 0.000 0.990 120 T CA -0.578 61.206 62.100 -0.527 0.000 0.960 120 T CB 1.610 70.230 68.868 -0.415 0.000 0.948 120 T HN 0.339 nan 8.240 nan 0.000 0.438 121 G N 0.984 109.314 108.800 -0.784 0.000 2.370 121 G HA2 0.505 4.473 3.960 0.014 0.000 0.317 121 G HA3 0.505 4.473 3.960 0.014 0.000 0.317 121 G C -0.453 174.221 174.900 -0.376 0.000 1.162 121 G CA -0.381 44.203 45.100 -0.860 0.000 0.922 121 G HN 0.870 nan 8.290 nan 0.000 0.454 122 C N 2.963 121.814 119.300 -0.748 0.000 2.271 122 C HA 0.525 4.993 4.460 0.014 0.000 0.323 122 C C -0.731 174.260 174.990 0.002 0.000 1.245 122 C CA -0.955 57.798 59.018 -0.441 0.000 1.548 122 C CB -1.210 25.757 27.740 -1.287 0.000 2.214 122 C HN 0.649 nan 8.230 nan 0.000 0.477 123 Y N 1.968 122.589 120.300 0.535 0.000 2.387 123 Y HA 0.646 5.205 4.550 0.014 0.000 0.336 123 Y C 0.755 177.143 175.900 0.812 0.000 1.067 123 Y CA -0.206 58.307 58.100 0.688 0.000 1.114 123 Y CB 1.623 40.437 38.460 0.590 0.000 1.208 123 Y HN 0.693 nan 8.280 nan 0.000 0.458 124 S N 2.542 118.766 115.700 0.873 0.000 2.588 124 S HA 0.858 5.336 4.470 0.014 0.000 0.275 124 S C -1.843 172.836 174.600 0.132 0.000 1.130 124 S CA -0.788 57.697 58.200 0.474 0.000 0.855 124 S CB 2.260 65.615 63.200 0.259 0.000 1.116 124 S HN 0.610 nan 8.310 nan 0.000 0.472 125 L N 0.751 121.877 121.223 -0.162 0.000 2.505 125 L HA 0.708 5.056 4.340 0.014 0.000 0.259 125 L C -1.093 175.703 176.870 -0.124 0.000 0.952 125 L CA 0.095 54.675 54.840 -0.433 0.000 0.840 125 L CB 2.392 43.665 42.059 -1.310 0.000 1.358 125 L HN 0.919 nan 8.230 nan 0.000 0.409 126 T N 4.959 119.462 114.554 -0.085 0.000 2.771 126 T HA 0.742 5.100 4.350 0.014 0.000 0.281 126 T C -0.824 173.908 174.700 0.053 0.000 0.982 126 T CA -0.022 62.066 62.100 -0.019 0.000 0.978 126 T CB 0.388 69.224 68.868 -0.053 0.000 0.930 126 T HN 0.457 nan 8.240 nan 0.000 0.447 127 F N 1.526 121.399 119.950 -0.128 0.000 2.715 127 F HA 0.811 5.346 4.527 0.014 0.000 0.318 127 F C -0.892 174.859 175.800 -0.082 0.000 1.141 127 F CA -1.460 56.472 58.000 -0.113 0.000 0.950 127 F CB 1.413 40.340 39.000 -0.122 0.000 1.374 127 F HN 0.554 nan 8.300 nan 0.000 0.477 128 N N -0.335 118.315 118.700 -0.082 0.000 2.774 128 N HA 0.721 5.469 4.740 0.014 0.000 0.264 128 N C -1.621 173.864 175.510 -0.040 0.000 1.415 128 N CA -0.808 52.112 53.050 -0.216 0.000 0.815 128 N CB 2.431 40.813 38.487 -0.175 0.000 1.514 128 N HN 0.805 nan 8.380 nan 0.000 0.523 129 V N -3.739 116.113 119.914 -0.105 0.000 3.074 129 V HA 0.563 4.691 4.120 0.014 0.000 0.314 129 V C -0.437 175.475 176.094 -0.303 0.000 1.117 129 V CA -1.009 61.177 62.300 -0.190 0.000 1.014 129 V CB 1.761 33.596 31.823 0.020 0.000 1.057 129 V HN 0.857 nan 8.190 nan 0.000 0.438 130 D N 0.851 120.887 120.400 -0.606 0.000 2.443 130 D HA -0.013 4.635 4.640 0.014 0.000 0.239 130 D C 0.932 177.093 176.300 -0.232 0.000 1.136 130 D CA 0.342 54.053 54.000 -0.480 0.000 0.879 130 D CB 1.780 42.115 40.800 -0.775 0.000 1.195 130 D HN 0.871 nan 8.370 nan 0.000 0.443 131 E N 2.129 122.255 120.200 -0.122 0.000 2.114 131 E HA -0.247 4.111 4.350 0.014 0.000 0.199 131 E C 1.903 178.514 176.600 0.019 0.000 1.008 131 E CA 2.132 58.508 56.400 -0.039 0.000 0.810 131 E CB -0.348 29.336 29.700 -0.025 0.000 0.739 131 E HN 0.502 nan 8.360 nan 0.000 0.456 132 S N -0.911 114.808 115.700 0.032 0.000 2.400 132 S HA -0.163 4.315 4.470 0.014 0.000 0.232 132 S C 1.742 176.472 174.600 0.217 0.000 1.025 132 S CA 1.106 59.384 58.200 0.130 0.000 0.993 132 S CB -0.781 62.517 63.200 0.163 0.000 0.808 132 S HN 0.412 nan 8.310 nan 0.000 0.478 133 W N 1.522 122.696 121.300 -0.210 0.000 2.519 133 W HA 0.362 5.030 4.660 0.014 0.000 0.266 133 W C 1.979 178.455 176.519 -0.071 0.000 1.253 133 W CA -0.506 56.632 57.345 -0.346 0.000 1.274 133 W CB -0.863 28.338 29.460 -0.431 0.000 1.114 133 W HN 0.330 nan 8.180 nan 0.000 0.596 134 L N -0.415 120.919 121.223 0.185 0.000 2.270 134 L HA -0.095 4.253 4.340 0.014 0.000 0.210 134 L C 2.347 179.284 176.870 0.111 0.000 1.104 134 L CA 0.840 55.758 54.840 0.130 0.000 0.804 134 L CB -0.618 41.486 42.059 0.074 0.000 0.937 134 L HN -0.003 nan 8.230 nan 0.000 0.450 135 Q N -0.145 119.723 119.800 0.113 0.000 1.990 135 Q HA -0.037 4.311 4.340 0.014 0.000 0.200 135 Q C 0.159 176.224 176.000 0.107 0.000 0.980 135 Q CA 1.028 56.889 55.803 0.096 0.000 0.832 135 Q CB 0.351 29.144 28.738 0.092 0.000 0.897 135 Q HN 0.396 nan 8.270 nan 0.000 0.427 136 E N -1.906 118.385 120.200 0.152 0.000 2.454 136 E HA 0.502 4.861 4.350 0.014 0.000 0.279 136 E C -0.517 176.208 176.600 0.208 0.000 1.029 136 E CA -0.026 56.459 56.400 0.141 0.000 0.831 136 E CB 1.845 31.611 29.700 0.110 0.000 1.405 136 E HN 0.286 nan 8.360 nan 0.000 0.463 137 G N 0.890 109.741 108.800 0.084 0.000 2.756 137 G HA2 -0.206 3.762 3.960 0.014 0.000 0.678 137 G HA3 -0.206 3.762 3.960 0.014 0.000 0.678 137 G C -0.831 174.038 174.900 -0.052 0.000 1.349 137 G CA -0.327 44.738 45.100 -0.057 0.000 0.847 137 G HN 0.448 nan 8.290 nan 0.000 0.548 138 Q N -0.214 119.441 119.800 -0.242 0.000 2.307 138 Q HA 0.622 4.971 4.340 0.014 0.000 0.262 138 Q C -0.664 175.269 176.000 -0.111 0.000 0.961 138 Q CA -0.447 55.288 55.803 -0.113 0.000 0.882 138 Q CB 1.112 29.770 28.738 -0.133 0.000 1.264 138 Q HN 0.579 nan 8.270 nan 0.000 0.446 139 T N 5.414 119.994 114.554 0.043 0.000 2.772 139 T HA 0.433 4.791 4.350 0.014 0.000 0.288 139 T C -0.552 174.190 174.700 0.070 0.000 0.994 139 T CA -0.614 61.513 62.100 0.045 0.000 0.951 139 T CB 0.456 69.434 68.868 0.184 0.000 0.933 139 T HN 0.619 nan 8.240 nan 0.000 0.447 140 R N 2.991 123.505 120.500 0.023 0.000 2.832 140 R HA 0.772 5.121 4.340 0.014 0.000 0.271 140 R C -1.065 175.263 176.300 0.047 0.000 0.996 140 R CA -0.997 55.138 56.100 0.057 0.000 0.977 140 R CB 1.535 31.859 30.300 0.039 0.000 1.168 140 R HN 0.555 nan 8.270 nan 0.000 0.482 141 I N 2.269 122.880 120.570 0.068 0.000 2.441 141 I HA 0.436 4.614 4.170 0.014 0.000 0.295 141 I C -1.084 175.020 176.117 -0.022 0.000 0.994 141 I CA -1.259 60.027 61.300 -0.023 0.000 1.144 141 I CB 1.356 39.334 38.000 -0.036 0.000 1.314 141 I HN 0.600 nan 8.210 nan 0.000 0.445 142 I N 7.433 127.897 120.570 -0.177 0.000 2.418 142 I HA 0.295 4.474 4.170 0.014 0.000 0.287 142 I C -1.261 174.668 176.117 -0.312 0.000 1.008 142 I CA -0.428 60.796 61.300 -0.127 0.000 1.104 142 I CB 1.518 39.465 38.000 -0.087 0.000 1.264 142 I HN 0.422 nan 8.210 nan 0.000 0.438 143 F N 4.537 124.478 119.950 -0.016 0.000 2.308 143 F HA 0.262 4.797 4.527 0.014 0.000 0.370 143 F C 1.308 177.011 175.800 -0.163 0.000 1.100 143 F CA -0.446 57.482 58.000 -0.120 0.000 1.108 143 F CB 0.741 39.652 39.000 -0.148 0.000 1.293 143 F HN 0.461 nan 8.300 nan 0.000 0.478 144 D N 2.326 122.651 120.400 -0.125 0.000 2.264 144 D HA 0.044 4.693 4.640 0.014 0.000 0.208 144 D C 0.980 177.120 176.300 -0.267 0.000 0.966 144 D CA 0.884 54.761 54.000 -0.205 0.000 0.864 144 D CB 0.418 41.038 40.800 -0.300 0.000 0.933 144 D HN 0.630 nan 8.370 nan 0.000 0.499 145 G N -0.492 108.105 108.800 -0.338 0.000 2.596 145 G HA2 0.429 4.398 3.960 0.014 0.000 0.300 145 G HA3 0.429 4.398 3.960 0.014 0.000 0.300 145 G C -1.502 173.166 174.900 -0.386 0.000 1.370 145 G CA -0.458 44.343 45.100 -0.497 0.000 1.170 145 G HN -0.056 nan 8.290 nan 0.000 0.594 146 V N 2.258 122.148 119.914 -0.040 0.000 2.623 146 V HA 0.580 4.708 4.120 0.014 0.000 0.304 146 V C -0.875 175.317 176.094 0.164 0.000 1.054 146 V CA -1.175 61.114 62.300 -0.018 0.000 0.882 146 V CB 2.075 33.665 31.823 -0.389 0.000 1.002 146 V HN 0.734 nan 8.190 nan 0.000 0.424 147 N N 2.223 120.994 118.700 0.119 0.000 2.407 147 N HA 0.350 5.098 4.740 0.014 0.000 0.277 147 N C 0.603 176.045 175.510 -0.114 0.000 0.995 147 N CA 0.152 53.186 53.050 -0.027 0.000 0.903 147 N CB 2.286 40.608 38.487 -0.276 0.000 1.218 147 N HN 0.684 nan 8.380 nan 0.000 0.487 148 S N 2.065 117.733 115.700 -0.053 0.000 2.506 148 S HA 0.559 5.038 4.470 0.014 0.000 0.219 148 S C 0.369 175.021 174.600 0.087 0.000 1.031 148 S CA 0.192 58.411 58.200 0.031 0.000 0.911 148 S CB 0.282 63.519 63.200 0.062 0.000 0.812 148 S HN 0.698 nan 8.310 nan 0.000 0.497 149 A N 0.699 123.577 122.820 0.097 0.000 2.604 149 A HA 0.746 5.074 4.320 0.014 0.000 0.295 149 A C -1.260 176.376 177.584 0.087 0.000 1.067 149 A CA -0.999 51.045 52.037 0.013 0.000 0.683 149 A CB 0.771 19.817 19.000 0.077 0.000 1.281 149 A HN 1.016 nan 8.150 nan 0.000 0.407 150 F N -0.658 119.075 119.950 -0.361 0.000 2.713 150 F HA 0.787 5.322 4.527 0.014 0.000 0.311 150 F C -0.958 174.730 175.800 -0.187 0.000 1.141 150 F CA -0.838 57.058 58.000 -0.173 0.000 0.939 150 F CB 1.185 40.072 39.000 -0.187 0.000 1.325 150 F HN 0.621 nan 8.300 nan 0.000 0.453 151 H N 1.417 120.656 119.070 0.282 0.000 2.573 151 H HA 0.736 5.300 4.556 0.014 0.000 0.351 151 H C -1.503 173.796 175.328 -0.048 0.000 1.163 151 H CA -0.766 55.304 56.048 0.036 0.000 1.205 151 H CB 2.561 32.314 29.762 -0.015 0.000 1.605 151 H HN 0.780 nan 8.280 nan 0.000 0.525 152 L N 2.275 123.301 121.223 -0.328 0.000 2.386 152 L HA 0.416 4.764 4.340 0.014 0.000 0.271 152 L C -1.632 174.947 176.870 -0.486 0.000 0.993 152 L CA -0.486 54.222 54.840 -0.219 0.000 0.819 152 L CB 1.622 43.454 42.059 -0.378 0.000 1.294 152 L HN 0.507 nan 8.230 nan 0.000 0.414 153 W N 4.110 125.391 121.300 -0.033 0.000 2.781 153 W HA 0.636 5.304 4.660 0.014 0.000 0.345 153 W C -1.104 175.364 176.519 -0.085 0.000 1.085 153 W CA -0.798 56.510 57.345 -0.061 0.000 1.198 153 W CB 2.047 31.505 29.460 -0.003 0.000 1.423 153 W HN 0.654 nan 8.180 nan 0.000 0.532 154 C N 4.197 123.579 119.300 0.137 0.000 2.481 154 C HA 0.312 4.781 4.460 0.014 0.000 0.324 154 C C 0.150 175.273 174.990 0.220 0.000 1.170 154 C CA -0.394 58.709 59.018 0.142 0.000 1.361 154 C CB -0.227 27.544 27.740 0.052 0.000 1.977 154 C HN 0.813 nan 8.230 nan 0.000 0.459 155 N N 3.511 122.298 118.700 0.145 0.000 2.727 155 N HA -0.188 4.561 4.740 0.014 0.000 0.249 155 N C 1.002 176.584 175.510 0.120 0.000 1.048 155 N CA 2.108 55.217 53.050 0.098 0.000 0.714 155 N CB -1.303 37.253 38.487 0.115 0.000 0.959 155 N HN 1.936 nan 8.380 nan 0.000 0.544 156 G N -1.241 107.622 108.800 0.105 0.000 2.212 156 G HA2 -0.377 3.591 3.960 0.014 0.000 0.266 156 G HA3 -0.377 3.591 3.960 0.014 0.000 0.266 156 G C 0.129 175.206 174.900 0.295 0.000 0.978 156 G CA 0.703 45.863 45.100 0.100 0.000 0.632 156 G HN 0.575 nan 8.290 nan 0.000 0.537 157 R N -0.917 119.822 120.500 0.398 0.000 2.346 157 R HA 0.430 4.778 4.340 0.014 0.000 0.311 157 R C -0.134 176.504 176.300 0.563 0.000 0.983 157 R CA -0.842 55.564 56.100 0.510 0.000 0.880 157 R CB 1.131 31.756 30.300 0.542 0.000 1.100 157 R HN 0.226 nan 8.270 nan 0.000 0.453 158 W N 3.630 125.119 121.300 0.315 0.000 2.251 158 W HA 0.066 4.734 4.660 0.014 0.000 0.327 158 W C 0.083 176.522 176.519 -0.133 0.000 1.361 158 W CA 0.058 57.291 57.345 -0.187 0.000 1.234 158 W CB 0.679 30.022 29.460 -0.195 0.000 1.212 158 W HN 0.332 nan 8.180 nan 0.000 0.557 159 V N 5.339 124.548 119.914 -1.175 0.000 2.690 159 V HA 0.516 4.645 4.120 0.014 0.000 0.240 159 V C 1.068 176.191 176.094 -1.618 0.000 1.078 159 V CA 1.053 62.630 62.300 -1.205 0.000 1.102 159 V CB -0.384 30.785 31.823 -1.090 0.000 0.800 159 V HN 0.846 nan 8.190 nan 0.000 0.479 160 G N -1.752 105.880 108.800 -1.948 0.000 2.340 160 G HA2 0.461 4.429 3.960 0.014 0.000 0.299 160 G HA3 0.461 4.429 3.960 0.014 0.000 0.299 160 G C -2.453 172.039 174.900 -0.681 0.000 1.291 160 G CA -0.303 44.033 45.100 -1.274 0.000 0.841 160 G HN -0.013 nan 8.290 nan 0.000 0.500 161 Y N -0.502 119.565 120.300 -0.388 0.000 2.562 161 Y HA 0.728 5.287 4.550 0.014 0.000 0.345 161 Y C -0.035 175.649 175.900 -0.359 0.000 1.045 161 Y CA -0.058 57.754 58.100 -0.480 0.000 1.028 161 Y CB 2.291 40.621 38.460 -0.217 0.000 1.297 161 Y HN 1.245 nan 8.280 nan 0.000 0.463 162 G N 3.573 111.542 108.800 -1.385 0.000 2.718 162 G HA2 0.585 4.554 3.960 0.014 0.000 0.295 162 G HA3 0.585 4.554 3.960 0.014 0.000 0.295 162 G C -2.140 172.269 174.900 -0.818 0.000 1.421 162 G CA -0.890 43.711 45.100 -0.832 0.000 0.902 162 G HN 0.616 nan 8.290 nan 0.000 0.501 163 Q N -0.195 119.388 119.800 -0.360 0.000 2.587 163 Q HA 0.597 4.945 4.340 0.014 0.000 0.293 163 Q C -1.421 174.569 176.000 -0.016 0.000 1.083 163 Q CA -0.861 54.861 55.803 -0.134 0.000 0.792 163 Q CB 2.777 31.499 28.738 -0.027 0.000 1.484 163 Q HN 0.628 nan 8.270 nan 0.000 0.446 164 D N -0.087 120.345 120.400 0.053 0.000 4.150 164 D HA -0.091 4.558 4.640 0.014 0.000 0.231 164 D C -0.445 175.917 176.300 0.103 0.000 1.129 164 D CA 0.394 54.442 54.000 0.080 0.000 1.005 164 D CB -0.578 40.253 40.800 0.051 0.000 0.691 164 D HN 0.556 nan 8.370 nan 0.000 0.320 165 S N 2.922 118.697 115.700 0.126 0.000 2.500 165 S HA -0.103 4.375 4.470 0.014 0.000 0.239 165 S C 1.554 176.292 174.600 0.231 0.000 0.989 165 S CA 0.667 58.974 58.200 0.177 0.000 0.951 165 S CB 0.235 63.501 63.200 0.110 0.000 0.759 165 S HN 0.458 nan 8.310 nan 0.000 0.523 166 R N 0.054 120.647 120.500 0.156 0.000 2.565 166 R HA 0.434 4.783 4.340 0.014 0.000 0.347 166 R C -0.393 175.963 176.300 0.092 0.000 1.010 166 R CA 0.051 56.241 56.100 0.150 0.000 1.126 166 R CB 0.171 30.581 30.300 0.183 0.000 1.331 166 R HN 0.326 nan 8.270 nan 0.000 0.552 167 L N 1.550 122.801 121.223 0.048 0.000 2.350 167 L HA 0.532 4.881 4.340 0.014 0.000 0.260 167 L C -2.381 174.467 176.870 -0.037 0.000 1.015 167 L CA -2.309 52.528 54.840 -0.005 0.000 0.821 167 L CB 2.887 44.934 42.059 -0.020 0.000 1.370 167 L HN -0.211 nan 8.230 nan 0.000 0.416 168 P HA 0.123 nan 4.420 nan 0.000 0.275 168 P C -1.014 176.257 177.300 -0.048 0.000 1.227 168 P CA -0.251 62.806 63.100 -0.072 0.000 0.781 168 P CB 1.231 32.849 31.700 -0.136 0.000 0.906 169 S N 1.841 117.577 115.700 0.060 0.000 2.498 169 S HA 0.316 4.795 4.470 0.014 0.000 0.317 169 S C -0.413 174.164 174.600 -0.038 0.000 1.090 169 S CA -0.589 57.608 58.200 -0.004 0.000 1.089 169 S CB 0.807 64.163 63.200 0.259 0.000 0.997 169 S HN 0.367 nan 8.310 nan 0.000 0.470 170 E N 2.137 122.108 120.200 -0.382 0.000 2.238 170 E HA 0.614 4.972 4.350 0.014 0.000 0.267 170 E C -1.428 174.751 176.600 -0.702 0.000 0.887 170 E CA -0.663 55.566 56.400 -0.285 0.000 0.769 170 E CB 1.681 31.321 29.700 -0.101 0.000 1.187 170 E HN 0.401 nan 8.360 nan 0.000 0.416 171 F N 0.388 120.386 119.950 0.079 0.000 2.578 171 F HA 0.217 4.753 4.527 0.014 0.000 0.311 171 F C -0.174 175.639 175.800 0.022 0.000 1.094 171 F CA -1.184 56.828 58.000 0.021 0.000 0.923 171 F CB 1.560 40.538 39.000 -0.036 0.000 1.230 171 F HN 0.288 nan 8.300 nan 0.000 0.450 172 D N 2.458 122.973 120.400 0.193 0.000 2.317 172 D HA 0.276 4.924 4.640 0.014 0.000 0.252 172 D C 0.208 176.636 176.300 0.213 0.000 1.174 172 D CA 0.165 54.261 54.000 0.161 0.000 0.866 172 D CB 1.017 41.899 40.800 0.135 0.000 1.127 172 D HN 0.588 nan 8.370 nan 0.000 0.467 173 L N 2.783 124.134 121.223 0.212 0.000 2.667 173 L HA 0.053 4.401 4.340 0.014 0.000 0.232 173 L C 2.019 179.122 176.870 0.389 0.000 1.138 173 L CA -0.167 54.848 54.840 0.293 0.000 0.921 173 L CB 0.027 42.227 42.059 0.235 0.000 1.180 173 L HN 0.297 nan 8.230 nan 0.000 0.487 174 S N 1.432 117.297 115.700 0.276 0.000 2.389 174 S HA -0.286 4.193 4.470 0.014 0.000 0.231 174 S C 2.027 176.738 174.600 0.185 0.000 1.052 174 S CA 1.829 60.155 58.200 0.210 0.000 1.053 174 S CB -0.175 63.107 63.200 0.137 0.000 0.886 174 S HN 0.570 nan 8.310 nan 0.000 0.456 175 A N -0.551 122.369 122.820 0.168 0.000 2.251 175 A HA 0.362 4.691 4.320 0.014 0.000 0.209 175 A C 1.320 178.806 177.584 -0.163 0.000 1.187 175 A CA 0.236 52.253 52.037 -0.035 0.000 0.823 175 A CB -0.387 18.509 19.000 -0.173 0.000 0.846 175 A HN 0.470 nan 8.150 nan 0.000 0.486 176 F N -0.384 119.618 119.950 0.085 0.000 2.678 176 F HA 0.333 4.868 4.527 0.014 0.000 0.291 176 F C 0.741 176.590 175.800 0.083 0.000 1.123 176 F CA -0.297 57.755 58.000 0.087 0.000 1.395 176 F CB -0.076 38.987 39.000 0.104 0.000 1.121 176 F HN -0.042 nan 8.300 nan 0.000 0.592 177 L N 2.529 123.918 121.223 0.277 0.000 2.461 177 L HA 0.251 4.599 4.340 0.014 0.000 0.272 177 L C 0.401 177.325 176.870 0.089 0.000 1.197 177 L CA 0.047 54.997 54.840 0.184 0.000 0.836 177 L CB 0.387 42.571 42.059 0.209 0.000 1.105 177 L HN 0.177 nan 8.230 nan 0.000 0.477 178 R N 2.010 122.523 120.500 0.022 0.000 2.799 178 R HA 0.805 5.154 4.340 0.014 0.000 0.270 178 R C -1.103 175.174 176.300 -0.039 0.000 1.010 178 R CA -0.982 55.114 56.100 -0.005 0.000 0.916 178 R CB 1.422 31.713 30.300 -0.016 0.000 1.228 178 R HN 0.517 nan 8.270 nan 0.000 0.469 179 A N 0.827 123.628 122.820 -0.032 0.000 2.445 179 A HA 0.521 4.849 4.320 0.014 0.000 0.242 179 A C 1.047 178.587 177.584 -0.073 0.000 1.075 179 A CA 0.944 52.953 52.037 -0.046 0.000 0.777 179 A CB -0.572 18.409 19.000 -0.030 0.000 1.013 179 A HN 1.352 nan 8.150 nan 0.000 0.493 180 G N 0.755 109.501 108.800 -0.090 0.000 2.512 180 G HA2 -0.200 3.768 3.960 0.014 0.000 0.254 180 G HA3 -0.200 3.768 3.960 0.014 0.000 0.254 180 G C 0.061 174.862 174.900 -0.166 0.000 1.199 180 G CA 0.283 45.319 45.100 -0.107 0.000 0.941 180 G HN 1.078 nan 8.290 nan 0.000 0.569 181 E N 1.340 121.444 120.200 -0.159 0.000 2.344 181 E HA 0.282 4.640 4.350 0.014 0.000 0.270 181 E C 0.029 176.463 176.600 -0.276 0.000 1.021 181 E CA -0.111 56.166 56.400 -0.205 0.000 0.887 181 E CB 0.099 29.718 29.700 -0.134 0.000 0.997 181 E HN 0.415 nan 8.360 nan 0.000 0.429 182 N N 3.156 121.567 118.700 -0.483 0.000 2.292 182 N HA 0.366 5.114 4.740 0.014 0.000 0.303 182 N C -0.937 174.335 175.510 -0.396 0.000 1.140 182 N CA -0.649 52.060 53.050 -0.568 0.000 0.788 182 N CB 2.033 39.864 38.487 -1.092 0.000 1.361 182 N HN 0.309 nan 8.380 nan 0.000 0.489 183 R N 1.726 122.150 120.500 -0.127 0.000 2.476 183 R HA 0.472 4.821 4.340 0.014 0.000 0.305 183 R C -1.164 175.219 176.300 0.139 0.000 0.965 183 R CA -0.461 55.650 56.100 0.017 0.000 0.867 183 R CB 0.941 31.209 30.300 -0.052 0.000 1.176 183 R HN 0.468 nan 8.270 nan 0.000 0.447 184 L N 3.015 124.358 121.223 0.199 0.000 2.322 184 L HA 0.745 5.093 4.340 0.014 0.000 0.279 184 L C -0.247 176.702 176.870 0.131 0.000 1.036 184 L CA -0.890 54.074 54.840 0.207 0.000 0.807 184 L CB 1.960 44.154 42.059 0.225 0.000 1.226 184 L HN 0.705 nan 8.230 nan 0.000 0.433 185 A N 3.212 126.119 122.820 0.146 0.000 2.357 185 A HA 0.734 5.063 4.320 0.014 0.000 0.295 185 A C -1.015 176.878 177.584 0.515 0.000 1.121 185 A CA -0.440 51.601 52.037 0.007 0.000 0.742 185 A CB 1.435 19.915 19.000 -0.867 0.000 1.181 185 A HN 0.380 nan 8.150 nan 0.000 0.454 186 V N 3.768 124.138 119.914 0.760 0.000 2.376 186 V HA 0.427 4.556 4.120 0.014 0.000 0.287 186 V C -0.086 176.524 176.094 0.860 0.000 1.015 186 V CA -0.256 62.468 62.300 0.708 0.000 0.834 186 V CB 1.462 33.519 31.823 0.389 0.000 1.001 186 V HN 0.958 nan 8.190 nan 0.000 0.428 187 M N 6.185 126.309 119.600 0.872 0.000 2.055 187 M HA 0.542 5.030 4.480 0.014 0.000 0.347 187 M C -1.409 175.141 176.300 0.417 0.000 1.123 187 M CA -0.338 55.306 55.300 0.573 0.000 1.035 187 M CB 1.059 34.031 32.600 0.620 0.000 1.484 187 M HN 0.461 nan 8.290 nan 0.000 0.428 188 V N 6.179 126.301 119.914 0.346 0.000 2.394 188 V HA 0.393 4.521 4.120 0.014 0.000 0.282 188 V C -0.147 176.112 176.094 0.274 0.000 1.031 188 V CA -0.914 61.591 62.300 0.341 0.000 0.881 188 V CB 1.509 33.629 31.823 0.494 0.000 0.982 188 V HN 0.648 nan 8.190 nan 0.000 0.451 189 L N 5.110 126.422 121.223 0.149 0.000 2.289 189 L HA 0.488 4.836 4.340 0.014 0.000 0.285 189 L C 1.386 178.268 176.870 0.020 0.000 1.049 189 L CA 0.183 55.032 54.840 0.016 0.000 0.804 189 L CB 0.772 42.730 42.059 -0.168 0.000 1.195 189 L HN 0.697 nan 8.230 nan 0.000 0.428 190 R N 2.779 123.248 120.500 -0.052 0.000 2.081 190 R HA -0.085 4.264 4.340 0.014 0.000 0.235 190 R C -0.363 175.599 176.300 -0.562 0.000 1.131 190 R CA 1.359 57.181 56.100 -0.463 0.000 0.960 190 R CB 0.288 30.184 30.300 -0.673 0.000 0.856 190 R HN 0.596 nan 8.270 nan 0.000 0.436 191 W N -0.157 121.197 121.300 0.090 0.000 2.689 191 W HA 0.420 5.088 4.660 0.014 0.000 0.340 191 W C -0.367 176.253 176.519 0.169 0.000 1.060 191 W CA -0.824 56.585 57.345 0.107 0.000 1.218 191 W CB 1.833 31.362 29.460 0.115 0.000 1.410 191 W HN 0.003 nan 8.180 nan 0.000 0.528 192 S N -1.172 114.815 115.700 0.478 0.000 2.672 192 S HA 0.208 4.687 4.470 0.014 0.000 0.271 192 S C 0.044 174.910 174.600 0.442 0.000 1.171 192 S CA -0.389 58.101 58.200 0.485 0.000 0.817 192 S CB 1.159 64.615 63.200 0.426 0.000 1.150 192 S HN 0.617 nan 8.310 nan 0.000 0.478 193 D N 0.348 121.006 120.400 0.430 0.000 2.264 193 D HA 0.089 4.738 4.640 0.014 0.000 0.208 193 D C 1.788 178.404 176.300 0.527 0.000 0.966 193 D CA 1.105 55.402 54.000 0.495 0.000 0.864 193 D CB -0.751 40.198 40.800 0.248 0.000 0.933 193 D HN 0.709 nan 8.370 nan 0.000 0.499 194 G N 0.079 109.105 108.800 0.376 0.000 2.470 194 G HA2 -0.265 3.703 3.960 0.014 0.000 0.220 194 G HA3 -0.265 3.703 3.960 0.014 0.000 0.220 194 G C 1.688 176.784 174.900 0.327 0.000 1.121 194 G CA 0.740 46.036 45.100 0.328 0.000 0.766 194 G HN 0.311 nan 8.290 nan 0.000 0.553 195 S N -0.154 115.729 115.700 0.304 0.000 2.419 195 S HA -0.095 4.383 4.470 0.014 0.000 0.233 195 S C 1.898 176.607 174.600 0.182 0.000 1.016 195 S CA 0.683 59.028 58.200 0.242 0.000 0.974 195 S CB -0.387 62.957 63.200 0.241 0.000 0.786 195 S HN 0.559 nan 8.310 nan 0.000 0.492 196 Y N 1.252 121.707 120.300 0.258 0.000 2.333 196 Y HA 0.020 4.578 4.550 0.014 0.000 0.290 196 Y C 1.621 177.655 175.900 0.222 0.000 1.144 196 Y CA 0.750 58.932 58.100 0.137 0.000 1.228 196 Y CB -0.200 38.220 38.460 -0.067 0.000 0.985 196 Y HN 0.201 nan 8.280 nan 0.000 0.542 197 L N -0.351 121.082 121.223 0.350 0.000 2.667 197 L HA 0.123 4.471 4.340 0.014 0.000 0.232 197 L C 0.032 177.046 176.870 0.240 0.000 1.138 197 L CA 0.380 55.377 54.840 0.261 0.000 0.921 197 L CB 0.057 42.270 42.059 0.257 0.000 1.180 197 L HN 0.135 nan 8.230 nan 0.000 0.487 198 E N -0.183 120.170 120.200 0.255 0.000 3.646 198 E HA 0.043 4.401 4.350 0.014 0.000 0.211 198 E C -0.455 176.251 176.600 0.178 0.000 1.034 198 E CA -0.079 56.453 56.400 0.220 0.000 1.341 198 E CB 0.475 30.297 29.700 0.204 0.000 1.202 198 E HN 0.029 nan 8.360 nan 0.000 0.447 199 D N 1.278 121.738 120.400 0.099 0.000 2.690 199 D HA 0.028 4.676 4.640 0.014 0.000 0.236 199 D C -0.282 176.013 176.300 -0.009 0.000 1.218 199 D CA -0.123 53.817 54.000 -0.100 0.000 0.829 199 D CB 0.097 40.574 40.800 -0.537 0.000 1.009 199 D HN 0.048 nan 8.370 nan 0.000 0.482 200 Q N 0.440 120.329 119.800 0.149 0.000 2.392 200 Q HA 0.134 4.482 4.340 0.014 0.000 0.262 200 Q C -0.079 176.053 176.000 0.220 0.000 1.003 200 Q CA -0.005 55.960 55.803 0.271 0.000 0.888 200 Q CB 0.592 29.644 28.738 0.524 0.000 1.260 200 Q HN 0.049 nan 8.270 nan 0.000 0.435 201 D N 3.100 123.661 120.400 0.268 0.000 2.441 201 D HA 0.194 4.842 4.640 0.014 0.000 0.243 201 D C -0.751 175.699 176.300 0.250 0.000 1.257 201 D CA 0.117 54.255 54.000 0.230 0.000 1.027 201 D CB -0.438 40.516 40.800 0.257 0.000 1.084 201 D HN 0.522 nan 8.370 nan 0.000 0.514 202 M N 0.492 120.203 119.600 0.184 0.000 3.012 202 M HA 0.378 4.866 4.480 0.014 0.000 0.272 202 M C -1.391 174.993 176.300 0.139 0.000 1.187 202 M CA -1.151 54.186 55.300 0.062 0.000 0.813 202 M CB 1.014 33.593 32.600 -0.036 0.000 1.626 202 M HN -0.081 nan 8.290 nan 0.000 0.507 203 W N 1.799 123.189 121.300 0.150 0.000 2.193 203 W HA 0.349 5.017 4.660 0.014 0.000 0.338 203 W C 0.245 176.786 176.519 0.036 0.000 1.310 203 W CA -0.015 57.407 57.345 0.128 0.000 1.243 203 W CB 0.344 29.820 29.460 0.027 0.000 1.165 203 W HN 0.300 nan 8.180 nan 0.000 0.566 204 R N 4.491 125.175 120.500 0.307 0.000 2.215 204 R HA 0.426 4.774 4.340 0.014 0.000 0.337 204 R C -0.139 176.165 176.300 0.006 0.000 1.010 204 R CA -0.279 55.909 56.100 0.147 0.000 0.871 204 R CB 0.232 30.689 30.300 0.262 0.000 1.134 204 R HN 0.559 nan 8.270 nan 0.000 0.477 205 M N 0.194 119.690 119.600 -0.173 0.000 2.739 205 M HA 0.538 5.026 4.480 0.014 0.000 0.284 205 M C -0.034 175.918 176.300 -0.579 0.000 1.103 205 M CA -0.808 54.275 55.300 -0.361 0.000 0.809 205 M CB 2.169 34.550 32.600 -0.366 0.000 1.708 205 M HN 0.631 nan 8.290 nan 0.000 0.481 206 S N -1.339 113.886 115.700 -0.792 0.000 2.615 206 S HA 0.903 5.381 4.470 0.014 0.000 0.268 206 S C -0.608 173.455 174.600 -0.894 0.000 1.146 206 S CA -0.205 57.441 58.200 -0.923 0.000 0.818 206 S CB 1.571 64.053 63.200 -1.196 0.000 1.111 206 S HN 1.492 nan 8.310 nan 0.000 0.465 207 G N 0.021 108.532 108.800 -0.481 0.000 2.331 207 G HA2 0.163 4.132 3.960 0.014 0.000 0.479 207 G HA3 0.163 4.132 3.960 0.014 0.000 0.479 207 G C -1.480 173.395 174.900 -0.040 0.000 1.262 207 G CA -0.561 44.572 45.100 0.056 0.000 1.029 207 G HN 1.223 nan 8.290 nan 0.000 0.487 208 I N 2.041 122.444 120.570 -0.279 0.000 2.276 208 I HA 0.311 4.489 4.170 0.014 0.000 0.290 208 I C 1.061 177.040 176.117 -0.231 0.000 1.109 208 I CA -0.268 60.770 61.300 -0.435 0.000 1.229 208 I CB 0.041 37.493 38.000 -0.915 0.000 1.452 208 I HN 0.532 nan 8.210 nan 0.000 0.497 209 F N 4.804 124.596 119.950 -0.263 0.000 2.695 209 F HA 0.459 4.994 4.527 0.014 0.000 0.303 209 F C 0.629 176.349 175.800 -0.135 0.000 1.091 209 F CA -0.508 57.373 58.000 -0.197 0.000 1.300 209 F CB 0.158 39.042 39.000 -0.193 0.000 1.071 209 F HN 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.461 120.537 120.500 -0.707 0.000 2.930 210 R HA 0.261 4.609 4.340 0.014 0.000 0.257 210 R C -0.739 175.363 176.300 -0.330 0.000 1.107 210 R CA -1.175 54.618 56.100 -0.511 0.000 0.999 210 R CB 0.652 30.575 30.300 -0.627 0.000 1.209 210 R HN -0.043 nan 8.270 nan 0.000 0.486 211 D N 0.516 120.773 120.400 -0.239 0.000 2.364 211 D HA 0.118 4.767 4.640 0.014 0.000 0.236 211 D C -0.464 175.706 176.300 -0.218 0.000 1.221 211 D CA 0.388 54.282 54.000 -0.176 0.000 0.891 211 D CB 0.671 41.399 40.800 -0.119 0.000 1.190 211 D HN -0.018 nan 8.370 nan 0.000 0.449 212 V N 0.593 120.393 119.914 -0.190 0.000 2.588 212 V HA 0.549 4.677 4.120 0.014 0.000 0.304 212 V C -0.084 175.903 176.094 -0.178 0.000 1.042 212 V CA -0.548 61.581 62.300 -0.285 0.000 0.877 212 V CB 1.740 33.394 31.823 -0.280 0.000 0.996 212 V HN 0.773 nan 8.190 nan 0.000 0.425 213 S N 4.627 120.196 115.700 -0.219 0.000 2.638 213 S HA 0.838 5.316 4.470 0.014 0.000 0.274 213 S C -1.351 173.180 174.600 -0.115 0.000 1.157 213 S CA -0.934 57.197 58.200 -0.114 0.000 0.826 213 S CB 1.913 65.076 63.200 -0.062 0.000 1.139 213 S HN 0.463 nan 8.310 nan 0.000 0.474 214 L N 1.401 122.616 121.223 -0.014 0.000 2.341 214 L HA 0.706 5.054 4.340 0.014 0.000 0.278 214 L C -1.421 175.508 176.870 0.098 0.000 1.005 214 L CA -0.878 54.002 54.840 0.067 0.000 0.818 214 L CB 1.717 43.919 42.059 0.239 0.000 1.259 214 L HN 0.708 nan 8.230 nan 0.000 0.418 215 L N 3.264 124.490 121.223 0.005 0.000 2.409 215 L HA 0.440 4.789 4.340 0.014 0.000 0.272 215 L C -0.872 175.857 176.870 -0.234 0.000 0.980 215 L CA -0.104 54.692 54.840 -0.073 0.000 0.826 215 L CB 1.572 43.611 42.059 -0.033 0.000 1.268 215 L HN 0.517 nan 8.230 nan 0.000 0.407 216 H N 5.512 124.226 119.070 -0.594 0.000 2.581 216 H HA 0.437 5.001 4.556 0.014 0.000 0.308 216 H C -1.137 173.912 175.328 -0.465 0.000 1.040 216 H CA -0.710 54.843 56.048 -0.825 0.000 1.231 216 H CB 0.911 29.561 29.762 -1.855 0.000 1.396 216 H HN 0.555 nan 8.280 nan 0.000 0.467 217 K N 5.182 125.208 120.400 -0.623 0.000 2.221 217 K HA 0.376 4.704 4.320 0.014 0.000 0.243 217 K C -2.636 173.647 176.600 -0.528 0.000 0.968 217 K CA -1.997 54.003 56.287 -0.477 0.000 0.846 217 K CB 1.855 34.166 32.500 -0.314 0.000 1.141 217 K HN 0.491 nan 8.250 nan 0.000 0.434 218 P HA 0.040 nan 4.420 nan 0.000 0.272 218 P C 0.716 177.900 177.300 -0.193 0.000 1.240 218 P CA -0.040 62.911 63.100 -0.248 0.000 0.791 218 P CB 0.301 31.912 31.700 -0.148 0.000 0.978 219 T N -3.124 111.350 114.554 -0.134 0.000 2.857 219 T HA -0.038 4.321 4.350 0.014 0.000 0.266 219 T C 0.717 175.359 174.700 -0.096 0.000 1.048 219 T CA 1.200 63.240 62.100 -0.100 0.000 1.139 219 T CB -1.019 67.812 68.868 -0.062 0.000 0.874 219 T HN 0.281 nan 8.240 nan 0.000 0.455 220 T N 3.370 117.871 114.554 -0.088 0.000 2.747 220 T HA 0.466 4.825 4.350 0.014 0.000 0.301 220 T C -0.274 174.364 174.700 -0.102 0.000 0.952 220 T CA -0.693 61.349 62.100 -0.096 0.000 0.983 220 T CB 0.571 69.398 68.868 -0.068 0.000 0.930 220 T HN 0.692 nan 8.240 nan 0.000 0.494 221 Q N 2.494 122.222 119.800 -0.121 0.000 2.626 221 Q HA 0.611 4.960 4.340 0.014 0.000 0.300 221 Q C -1.198 174.736 176.000 -0.110 0.000 0.988 221 Q CA -1.199 54.527 55.803 -0.129 0.000 0.761 221 Q CB 1.228 29.862 28.738 -0.173 0.000 1.494 221 Q HN 0.422 nan 8.270 nan 0.000 0.439 222 I N 2.443 122.925 120.570 -0.147 0.000 2.379 222 I HA 0.060 4.238 4.170 0.014 0.000 0.290 222 I C 0.587 176.614 176.117 -0.149 0.000 1.063 222 I CA -0.027 61.211 61.300 -0.105 0.000 1.351 222 I CB 1.126 39.031 38.000 -0.158 0.000 1.410 222 I HN 0.853 nan 8.210 nan 0.000 0.505 223 S N 2.491 118.215 115.700 0.040 0.000 2.523 223 S HA 0.247 4.725 4.470 0.014 0.000 0.217 223 S C 0.097 174.921 174.600 0.374 0.000 0.996 223 S CA -0.320 57.969 58.200 0.150 0.000 0.921 223 S CB 0.253 63.493 63.200 0.068 0.000 0.829 223 S HN 0.713 nan 8.310 nan 0.000 0.495 224 D N -0.216 120.407 120.400 0.371 0.000 2.783 224 D HA 0.490 5.138 4.640 0.014 0.000 0.253 224 D C -1.950 174.544 176.300 0.324 0.000 1.206 224 D CA -0.676 53.535 54.000 0.352 0.000 0.740 224 D CB 1.326 42.215 40.800 0.148 0.000 1.313 224 D HN 0.208 nan 8.370 nan 0.000 0.427 225 F N -0.634 119.357 119.950 0.068 0.000 2.654 225 F HA 0.599 5.134 4.527 0.014 0.000 0.314 225 F C -1.673 174.160 175.800 0.056 0.000 1.116 225 F CA -0.784 57.185 58.000 -0.051 0.000 1.017 225 F CB 1.100 40.131 39.000 0.051 0.000 1.285 225 F HN 0.264 nan 8.300 nan 0.000 0.448 226 H N 1.944 121.100 119.070 0.144 0.000 2.589 226 H HA 0.746 5.311 4.556 0.014 0.000 0.351 226 H C -1.323 174.051 175.328 0.077 0.000 1.074 226 H CA -1.534 54.521 56.048 0.010 0.000 1.203 226 H CB 2.655 32.400 29.762 -0.029 0.000 1.558 226 H HN 0.615 nan 8.280 nan 0.000 0.522 227 V N 2.355 122.369 119.914 0.168 0.000 2.417 227 V HA 0.645 4.773 4.120 0.014 0.000 0.291 227 V C -0.201 175.888 176.094 -0.008 0.000 1.024 227 V CA -0.527 61.819 62.300 0.076 0.000 0.861 227 V CB 1.188 33.049 31.823 0.063 0.000 0.985 227 V HN 0.929 nan 8.190 nan 0.000 0.436 228 A N 3.425 126.220 122.820 -0.041 0.000 2.401 228 A HA 0.939 5.267 4.320 0.014 0.000 0.310 228 A C -0.104 177.395 177.584 -0.142 0.000 1.075 228 A CA -0.526 51.469 52.037 -0.070 0.000 0.746 228 A CB 1.924 20.902 19.000 -0.037 0.000 1.277 228 A HN 0.905 nan 8.150 nan 0.000 0.425 229 T N -0.001 114.452 114.554 -0.168 0.000 2.847 229 T HA 0.724 5.082 4.350 0.014 0.000 0.291 229 T C -0.514 173.966 174.700 -0.367 0.000 0.998 229 T CA -0.663 61.261 62.100 -0.294 0.000 0.967 229 T CB 0.852 69.499 68.868 -0.368 0.000 0.954 229 T HN 0.685 nan 8.240 nan 0.000 0.441 230 R N 2.039 122.257 120.500 -0.470 0.000 2.711 230 R HA 0.809 5.157 4.340 0.014 0.000 0.284 230 R C -1.132 174.780 176.300 -0.645 0.000 0.968 230 R CA -0.727 55.152 56.100 -0.369 0.000 0.924 230 R CB 1.553 31.764 30.300 -0.150 0.000 1.162 230 R HN 0.555 nan 8.270 nan 0.000 0.465 231 F N 0.232 120.163 119.950 -0.032 0.000 2.611 231 F HA 0.380 4.914 4.527 0.012 0.000 0.324 231 F C 0.500 176.164 175.800 -0.228 0.000 1.061 231 F CA -1.128 56.792 58.000 -0.134 0.000 0.954 231 F CB 1.034 39.843 39.000 -0.317 0.000 1.301 231 F HN 0.543 nan 8.300 nan 0.000 0.482 232 N N -0.054 118.631 118.700 -0.026 0.000 2.366 232 N HA 0.059 4.807 4.740 0.014 0.000 0.277 232 N C 0.519 175.894 175.510 -0.226 0.000 1.275 232 N CA -0.086 52.909 53.050 -0.092 0.000 0.964 232 N CB -0.057 38.404 38.487 -0.044 0.000 1.167 232 N HN 0.658 nan 8.380 nan 0.000 0.568 233 D N -1.243 119.073 120.400 -0.140 0.000 2.158 233 D HA -0.248 4.400 4.640 0.014 0.000 0.197 233 D C 0.268 176.485 176.300 -0.139 0.000 0.995 233 D CA 1.744 55.664 54.000 -0.132 0.000 0.846 233 D CB -0.610 40.166 40.800 -0.040 0.000 0.941 233 D HN 0.749 nan 8.370 nan 0.000 0.456 234 D N -1.772 118.590 120.400 -0.064 0.000 2.501 234 D HA 0.049 4.697 4.640 0.014 0.000 0.226 234 D C 0.001 176.448 176.300 0.245 0.000 1.198 234 D CA -1.014 53.055 54.000 0.116 0.000 0.830 234 D CB -1.012 39.858 40.800 0.117 0.000 1.014 234 D HN 0.184 nan 8.370 nan 0.000 0.496 235 F N 0.251 120.247 119.950 0.078 0.000 3.034 235 F HA -0.293 4.241 4.527 0.012 0.000 0.286 235 F C 1.685 177.548 175.800 0.106 0.000 0.804 235 F CA 0.813 58.859 58.000 0.076 0.000 1.161 235 F CB -2.544 36.391 39.000 -0.108 0.000 1.317 235 F HN 0.234 nan 8.300 nan 0.000 0.453 236 S N -1.342 114.459 115.700 0.170 0.000 2.528 236 S HA 0.287 4.765 4.470 0.014 0.000 0.219 236 S C 0.676 175.331 174.600 0.092 0.000 0.985 236 S CA 0.059 58.333 58.200 0.122 0.000 0.914 236 S CB 0.448 63.696 63.200 0.079 0.000 0.776 236 S HN 0.462 nan 8.310 nan 0.000 0.526 237 R N 0.060 120.621 120.500 0.102 0.000 2.673 237 R HA 0.791 5.140 4.340 0.014 0.000 0.281 237 R C -1.357 174.980 176.300 0.062 0.000 0.991 237 R CA -0.227 55.901 56.100 0.046 0.000 0.896 237 R CB 2.295 32.598 30.300 0.004 0.000 1.201 237 R HN 0.277 nan 8.270 nan 0.000 0.457 238 A N 1.655 124.452 122.820 -0.038 0.000 2.515 238 A HA 0.735 5.064 4.320 0.014 0.000 0.296 238 A C -1.329 176.171 177.584 -0.139 0.000 1.094 238 A CA -0.635 51.297 52.037 -0.174 0.000 0.718 238 A CB 1.986 20.832 19.000 -0.256 0.000 1.307 238 A HN 0.353 nan 8.150 nan 0.000 0.408 239 V N 1.654 121.463 119.914 -0.175 0.000 2.409 239 V HA 0.436 4.565 4.120 0.014 0.000 0.291 239 V C -0.440 175.602 176.094 -0.087 0.000 1.020 239 V CA -0.379 61.859 62.300 -0.104 0.000 0.848 239 V CB 1.357 33.121 31.823 -0.099 0.000 0.990 239 V HN 0.784 nan 8.190 nan 0.000 0.430 240 L N 4.830 126.039 121.223 -0.023 0.000 2.264 240 L HA 0.627 4.975 4.340 0.014 0.000 0.289 240 L C -0.039 176.798 176.870 -0.055 0.000 1.044 240 L CA -0.083 54.731 54.840 -0.045 0.000 0.807 240 L CB 1.161 43.216 42.059 -0.006 0.000 1.192 240 L HN 0.799 nan 8.230 nan 0.000 0.425 241 E N 4.626 124.788 120.200 -0.063 0.000 2.165 241 E HA 0.650 5.008 4.350 0.014 0.000 0.266 241 E C -1.442 175.148 176.600 -0.017 0.000 0.889 241 E CA -0.745 55.631 56.400 -0.040 0.000 0.756 241 E CB 1.713 31.389 29.700 -0.039 0.000 1.131 241 E HN 0.723 nan 8.360 nan 0.000 0.411 242 A N 4.692 127.507 122.820 -0.010 0.000 2.311 242 A HA 0.304 4.633 4.320 0.014 0.000 0.306 242 A C -0.664 176.921 177.584 0.001 0.000 1.189 242 A CA -0.680 51.372 52.037 0.026 0.000 0.791 242 A CB 1.110 20.125 19.000 0.024 0.000 1.172 242 A HN 0.756 nan 8.150 nan 0.000 0.481 243 E N 2.350 122.548 120.200 -0.002 0.000 2.229 243 E HA 0.516 4.874 4.350 0.014 0.000 0.283 243 E C -1.244 175.312 176.600 -0.073 0.000 1.030 243 E CA -0.288 56.071 56.400 -0.069 0.000 0.836 243 E CB 1.019 30.641 29.700 -0.129 0.000 1.068 243 E HN 0.385 nan 8.360 nan 0.000 0.401 244 V N 5.011 124.899 119.914 -0.043 0.000 2.540 244 V HA 0.258 4.386 4.120 0.014 0.000 0.302 244 V C -0.473 175.675 176.094 0.091 0.000 1.035 244 V CA -0.801 61.518 62.300 0.031 0.000 0.873 244 V CB 1.711 33.531 31.823 -0.005 0.000 0.992 244 V HN 0.733 nan 8.190 nan 0.000 0.428 245 Q N 4.273 124.134 119.800 0.103 0.000 2.309 245 Q HA 0.805 5.153 4.340 0.014 0.000 0.264 245 Q C -0.748 175.328 176.000 0.127 0.000 1.008 245 Q CA -0.849 55.020 55.803 0.110 0.000 0.853 245 Q CB 2.604 31.347 28.738 0.009 0.000 1.314 245 Q HN 0.813 nan 8.270 nan 0.000 0.448 246 M N -0.785 118.826 119.600 0.019 0.000 2.664 246 M HA 0.726 5.215 4.480 0.014 0.000 0.314 246 M C -1.291 174.920 176.300 -0.150 0.000 1.200 246 M CA -0.469 54.752 55.300 -0.133 0.000 0.916 246 M CB 1.627 33.949 32.600 -0.462 0.000 1.717 246 M HN 0.492 nan 8.290 nan 0.000 0.470 247 C N 1.099 120.318 119.300 -0.135 0.000 2.561 247 C HA 1.033 5.501 4.460 0.014 0.000 0.319 247 C C 0.589 175.498 174.990 -0.135 0.000 1.198 247 C CA 0.611 59.564 59.018 -0.108 0.000 1.665 247 C CB 0.941 28.642 27.740 -0.064 0.000 2.258 247 C HN 1.378 nan 8.230 nan 0.000 0.493 248 G N 1.900 110.630 108.800 -0.117 0.000 2.362 248 G HA2 0.014 3.982 3.960 0.014 0.000 0.517 248 G HA3 0.014 3.982 3.960 0.014 0.000 0.517 248 G C -1.210 173.612 174.900 -0.129 0.000 1.256 248 G CA -0.699 44.333 45.100 -0.113 0.000 1.027 248 G HN 0.773 nan 8.290 nan 0.000 0.491 249 E N 0.191 120.320 120.200 -0.117 0.000 2.223 249 E HA 0.389 4.748 4.350 0.014 0.000 0.282 249 E C 0.335 176.828 176.600 -0.179 0.000 1.046 249 E CA -0.294 56.034 56.400 -0.121 0.000 0.857 249 E CB 0.697 30.348 29.700 -0.081 0.000 1.055 249 E HN 0.393 nan 8.360 nan 0.000 0.409 250 L N 4.663 125.768 121.223 -0.196 0.000 2.397 250 L HA 0.225 4.573 4.340 0.014 0.000 0.271 250 L C 0.462 177.187 176.870 -0.241 0.000 1.148 250 L CA 0.104 54.798 54.840 -0.244 0.000 0.825 250 L CB 0.378 42.318 42.059 -0.200 0.000 1.117 250 L HN 0.265 nan 8.230 nan 0.000 0.456 251 R N 1.677 121.976 120.500 -0.336 0.000 2.604 251 R HA 0.186 4.534 4.340 0.014 0.000 0.281 251 R C -0.233 175.794 176.300 -0.454 0.000 1.020 251 R CA -0.782 55.014 56.100 -0.505 0.000 0.899 251 R CB 1.593 31.231 30.300 -1.102 0.000 1.205 251 R HN 0.526 nan 8.270 nan 0.000 0.450 252 D N 1.198 121.425 120.400 -0.289 0.000 2.221 252 D HA -0.170 4.479 4.640 0.014 0.000 0.204 252 D C 1.504 177.762 176.300 -0.071 0.000 0.982 252 D CA 1.675 55.602 54.000 -0.122 0.000 0.857 252 D CB 0.049 40.831 40.800 -0.031 0.000 0.934 252 D HN 0.611 nan 8.370 nan 0.000 0.475 253 Y N -0.144 120.165 120.300 0.016 0.000 2.546 253 Y HA 0.262 4.821 4.550 0.014 0.000 0.287 253 Y C 0.769 176.672 175.900 0.004 0.000 1.158 253 Y CA -0.456 57.651 58.100 0.012 0.000 1.307 253 Y CB -0.933 37.535 38.460 0.013 0.000 1.036 253 Y HN -0.184 nan 8.280 nan 0.000 0.532 254 L N 2.399 123.595 121.223 -0.044 0.000 2.436 254 L HA 0.350 4.698 4.340 0.014 0.000 0.265 254 L C 0.235 177.113 176.870 0.014 0.000 1.168 254 L CA -0.267 54.616 54.840 0.071 0.000 0.815 254 L CB 0.514 42.624 42.059 0.086 0.000 1.109 254 L HN 0.128 nan 8.230 nan 0.000 0.462 255 R N 1.435 121.835 120.500 -0.167 0.000 2.774 255 R HA 0.681 5.029 4.340 0.014 0.000 0.272 255 R C -1.515 174.464 176.300 -0.534 0.000 1.000 255 R CA -0.832 55.028 56.100 -0.399 0.000 0.906 255 R CB 2.085 32.051 30.300 -0.556 0.000 1.227 255 R HN 0.264 nan 8.270 nan 0.000 0.468 256 V N 0.916 120.547 119.914 -0.473 0.000 2.540 256 V HA 0.494 4.622 4.120 0.014 0.000 0.302 256 V C -0.271 175.765 176.094 -0.096 0.000 1.035 256 V CA -0.516 61.599 62.300 -0.309 0.000 0.873 256 V CB 2.239 33.804 31.823 -0.429 0.000 0.992 256 V HN 0.709 nan 8.190 nan 0.000 0.428 257 T N 3.993 118.603 114.554 0.093 0.000 2.807 257 T HA 0.622 4.980 4.350 0.014 0.000 0.279 257 T C -0.689 174.017 174.700 0.009 0.000 0.993 257 T CA -0.343 61.811 62.100 0.090 0.000 0.970 257 T CB 1.712 70.668 68.868 0.147 0.000 0.950 257 T HN 0.343 nan 8.240 nan 0.000 0.441 258 V N 3.216 123.115 119.914 -0.024 0.000 2.448 258 V HA 0.566 4.694 4.120 0.014 0.000 0.295 258 V C -0.187 175.893 176.094 -0.022 0.000 1.025 258 V CA -0.627 61.654 62.300 -0.031 0.000 0.859 258 V CB 1.886 33.680 31.823 -0.047 0.000 0.988 258 V HN 0.943 nan 8.190 nan 0.000 0.431 259 S N 4.944 120.653 115.700 0.015 0.000 2.482 259 S HA 0.727 5.205 4.470 0.014 0.000 0.303 259 S C -0.828 173.794 174.600 0.036 0.000 1.091 259 S CA -0.462 57.726 58.200 -0.019 0.000 1.057 259 S CB 1.740 64.970 63.200 0.049 0.000 1.031 259 S HN 0.560 nan 8.310 nan 0.000 0.485 260 L N 3.372 124.529 121.223 -0.110 0.000 2.305 260 L HA 0.698 5.047 4.340 0.014 0.000 0.284 260 L C -1.925 174.919 176.870 -0.044 0.000 1.013 260 L CA -0.165 54.695 54.840 0.033 0.000 0.819 260 L CB 0.509 42.583 42.059 0.024 0.000 1.227 260 L HN 0.709 nan 8.230 nan 0.000 0.417 261 W N 3.684 125.083 121.300 0.166 0.000 2.666 261 W HA 0.561 5.229 4.660 0.014 0.000 0.334 261 W C -0.435 176.231 176.519 0.244 0.000 1.051 261 W CA -0.449 56.991 57.345 0.157 0.000 1.224 261 W CB 1.412 30.911 29.460 0.066 0.000 1.405 261 W HN 0.397 nan 8.180 nan 0.000 0.513 262 Q N 2.641 122.673 119.800 0.385 0.000 2.462 262 Q HA 0.462 4.810 4.340 0.014 0.000 0.247 262 Q C 0.801 176.876 176.000 0.124 0.000 1.044 262 Q CA 0.502 56.389 55.803 0.139 0.000 0.803 262 Q CB 0.586 29.371 28.738 0.078 0.000 1.190 262 Q HN 0.788 nan 8.270 nan 0.000 0.507 263 G N 3.281 112.133 108.800 0.085 0.000 2.611 263 G HA2 -0.377 3.591 3.960 0.014 0.000 0.301 263 G HA3 -0.377 3.591 3.960 0.014 0.000 0.301 263 G C 0.305 175.287 174.900 0.136 0.000 1.233 263 G CA 0.467 45.606 45.100 0.066 0.000 0.993 263 G HN 0.744 nan 8.290 nan 0.000 0.553 264 E N 0.748 121.018 120.200 0.116 0.000 2.476 264 E HA 0.199 4.557 4.350 0.014 0.000 0.191 264 E C 0.287 177.100 176.600 0.354 0.000 1.064 264 E CA 0.503 56.994 56.400 0.152 0.000 0.866 264 E CB 0.162 29.897 29.700 0.058 0.000 0.952 264 E HN 0.281 nan 8.360 nan 0.000 0.492 265 T N 1.344 116.106 114.554 0.346 0.000 2.758 265 T HA 0.108 4.466 4.350 0.014 0.000 0.285 265 T C -0.362 174.410 174.700 0.120 0.000 0.981 265 T CA -0.434 61.806 62.100 0.234 0.000 0.965 265 T CB 1.504 70.436 68.868 0.106 0.000 0.927 265 T HN 0.038 nan 8.240 nan 0.000 0.448 266 Q N 3.038 122.650 119.800 -0.313 0.000 2.295 266 Q HA 0.279 4.627 4.340 0.014 0.000 0.259 266 Q C 1.012 176.770 176.000 -0.403 0.000 0.976 266 Q CA -0.405 54.857 55.803 -0.901 0.000 0.923 266 Q CB 0.770 28.712 28.738 -1.327 0.000 1.185 266 Q HN 0.693 nan 8.270 nan 0.000 0.410 267 V N 1.095 120.849 119.914 -0.266 0.000 3.307 267 V HA 0.587 4.715 4.120 0.014 0.000 0.253 267 V C 0.236 176.239 176.094 -0.153 0.000 1.149 267 V CA 0.828 63.051 62.300 -0.128 0.000 1.112 267 V CB 0.163 31.989 31.823 0.004 0.000 0.777 267 V HN 0.652 nan 8.190 nan 0.000 0.464 268 A N -0.852 121.847 122.820 -0.202 0.000 2.601 268 A HA 0.828 5.157 4.320 0.014 0.000 0.291 268 A C -0.646 176.831 177.584 -0.178 0.000 1.075 268 A CA 0.211 52.154 52.037 -0.157 0.000 0.671 268 A CB 1.503 20.439 19.000 -0.107 0.000 1.277 268 A HN 0.772 nan 8.150 nan 0.000 0.417 269 S N -1.244 114.378 115.700 -0.131 0.000 2.567 269 S HA 0.790 5.268 4.470 0.014 0.000 0.270 269 S C -0.666 173.889 174.600 -0.075 0.000 1.152 269 S CA 0.206 58.340 58.200 -0.111 0.000 0.835 269 S CB 1.648 64.769 63.200 -0.130 0.000 1.115 269 S HN 2.378 nan 8.310 nan 0.000 0.459 270 G N 1.319 110.084 108.800 -0.057 0.000 2.733 270 G HA2 0.644 4.612 3.960 0.014 0.000 0.297 270 G HA3 0.644 4.612 3.960 0.014 0.000 0.297 270 G C -1.427 173.451 174.900 -0.037 0.000 1.422 270 G CA -0.358 44.713 45.100 -0.049 0.000 0.942 270 G HN 0.704 nan 8.290 nan 0.000 0.510 271 T N -0.205 114.330 114.554 -0.031 0.000 2.900 271 T HA 0.869 5.227 4.350 0.014 0.000 0.295 271 T C -0.333 174.333 174.700 -0.056 0.000 1.044 271 T CA 0.049 62.139 62.100 -0.016 0.000 0.995 271 T CB 1.848 70.741 68.868 0.041 0.000 1.072 271 T HN 1.576 nan 8.240 nan 0.000 0.473 272 A N 3.110 125.864 122.820 -0.110 0.000 2.612 272 A HA 0.908 5.236 4.320 0.014 0.000 0.293 272 A C -3.102 174.361 177.584 -0.202 0.000 1.075 272 A CA -1.550 50.408 52.037 -0.131 0.000 0.680 272 A CB 1.175 20.095 19.000 -0.134 0.000 1.279 272 A HN 0.535 nan 8.150 nan 0.000 0.411 273 P HA 0.520 nan 4.420 nan 0.000 0.276 273 P C -0.589 176.606 177.300 -0.174 0.000 1.261 273 P CA -0.235 62.789 63.100 -0.127 0.000 0.800 273 P CB 0.297 31.977 31.700 -0.034 0.000 1.066 274 F N -0.053 119.858 119.950 -0.066 0.000 2.450 274 F HA 0.456 4.991 4.527 0.014 0.000 0.339 274 F C 1.507 177.288 175.800 -0.031 0.000 1.146 274 F CA 1.594 59.565 58.000 -0.049 0.000 1.267 274 F CB 0.109 39.076 39.000 -0.055 0.000 1.178 274 F HN 0.577 nan 8.300 nan 0.000 0.585 275 G N 1.578 110.496 108.800 0.196 0.000 2.781 275 G HA2 0.347 4.315 3.960 0.014 0.000 0.468 275 G HA3 0.347 4.315 3.960 0.014 0.000 0.468 275 G C -0.394 174.553 174.900 0.079 0.000 1.186 275 G CA -0.758 44.413 45.100 0.118 0.000 1.220 275 G HN 1.038 nan 8.290 nan 0.000 0.564 276 G N 0.697 109.564 108.800 0.112 0.000 2.616 276 G HA2 0.659 4.627 3.960 0.014 0.000 0.268 276 G HA3 0.659 4.627 3.960 0.014 0.000 0.268 276 G C 0.464 175.405 174.900 0.068 0.000 1.213 276 G CA 0.078 45.238 45.100 0.099 0.000 0.926 276 G HN 1.160 nan 8.290 nan 0.000 0.523 277 E N -0.920 119.314 120.200 0.057 0.000 2.392 277 E HA 0.295 4.653 4.350 0.014 0.000 0.256 277 E C -0.065 176.559 176.600 0.039 0.000 1.145 277 E CA -0.670 55.752 56.400 0.037 0.000 0.929 277 E CB 1.038 30.754 29.700 0.028 0.000 0.998 277 E HN 0.308 nan 8.360 nan 0.000 0.442 278 I N 2.082 122.663 120.570 0.019 0.000 2.683 278 I HA -0.068 4.110 4.170 0.014 0.000 0.286 278 I C 0.960 177.084 176.117 0.012 0.000 1.175 278 I CA 0.432 61.735 61.300 0.005 0.000 1.429 278 I CB 0.290 38.288 38.000 -0.002 0.000 1.371 278 I HN 0.664 nan 8.210 nan 0.000 0.569 279 I N 1.356 121.927 120.570 0.001 0.000 4.312 279 I HA 0.324 4.503 4.170 0.014 0.000 0.324 279 I C -0.164 175.952 176.117 -0.002 0.000 1.298 279 I CA -0.039 61.271 61.300 0.016 0.000 1.231 279 I CB 0.452 38.487 38.000 0.058 0.000 1.152 279 I HN 0.588 nan 8.210 nan 0.000 0.421 280 D N -0.398 119.987 120.400 -0.024 0.000 2.838 280 D HA 0.177 4.826 4.640 0.014 0.000 0.334 280 D C 0.269 176.551 176.300 -0.029 0.000 1.315 280 D CA -0.503 53.483 54.000 -0.023 0.000 0.917 280 D CB 0.449 41.235 40.800 -0.024 0.000 1.435 280 D HN -0.132 nan 8.370 nan 0.000 0.517 281 E N -1.036 119.149 120.200 -0.025 0.000 2.331 281 E HA -0.036 4.323 4.350 0.014 0.000 0.199 281 E C 1.163 177.743 176.600 -0.033 0.000 1.008 281 E CA 0.944 57.329 56.400 -0.025 0.000 0.843 281 E CB -0.034 29.654 29.700 -0.019 0.000 0.761 281 E HN 0.209 nan 8.360 nan 0.000 0.507 282 R N -0.308 120.163 120.500 -0.048 0.000 2.393 282 R HA 0.319 4.667 4.340 0.014 0.000 0.244 282 R C 0.774 177.030 176.300 -0.074 0.000 0.920 282 R CA 0.632 56.697 56.100 -0.059 0.000 1.076 282 R CB 0.589 30.847 30.300 -0.070 0.000 1.119 282 R HN 0.204 nan 8.270 nan 0.000 0.524 283 G N -0.447 108.312 108.800 -0.069 0.000 2.443 283 G HA2 -0.142 3.826 3.960 0.014 0.000 0.209 283 G HA3 -0.142 3.826 3.960 0.014 0.000 0.209 283 G C -0.178 174.668 174.900 -0.090 0.000 1.176 283 G CA -0.601 44.459 45.100 -0.066 0.000 1.074 283 G HN 0.482 nan 8.290 nan 0.000 0.577 284 G N -1.993 106.749 108.800 -0.096 0.000 3.105 284 G HA2 0.635 4.604 3.960 0.014 0.000 0.277 284 G HA3 0.635 4.604 3.960 0.014 0.000 0.277 284 G C -1.555 173.247 174.900 -0.164 0.000 1.375 284 G CA -0.695 44.351 45.100 -0.090 0.000 0.962 284 G HN 0.774 nan 8.290 nan 0.000 0.541 285 Y N 1.195 121.505 120.300 0.018 0.000 2.535 285 Y HA 0.409 4.967 4.550 0.013 0.000 0.349 285 Y C 1.516 177.437 175.900 0.034 0.000 0.992 285 Y CA 0.120 58.233 58.100 0.022 0.000 1.248 285 Y CB 1.541 40.020 38.460 0.032 0.000 1.124 285 Y HN 0.552 nan 8.280 nan 0.000 0.520 286 A N 1.745 124.630 122.820 0.108 0.000 2.121 286 A HA -0.164 4.165 4.320 0.014 0.000 0.218 286 A C 1.505 179.152 177.584 0.104 0.000 1.154 286 A CA 1.580 53.667 52.037 0.083 0.000 0.679 286 A CB -0.266 18.742 19.000 0.014 0.000 0.795 286 A HN 0.787 nan 8.150 nan 0.000 0.458 287 D N -0.984 119.481 120.400 0.109 0.000 2.368 287 D HA 0.117 4.766 4.640 0.014 0.000 0.218 287 D C 0.499 176.895 176.300 0.159 0.000 1.112 287 D CA -0.064 53.925 54.000 -0.018 0.000 0.834 287 D CB 0.001 40.770 40.800 -0.052 0.000 0.953 287 D HN 0.422 nan 8.370 nan 0.000 0.505 288 R N -0.727 119.970 120.500 0.328 0.000 2.867 288 R HA 0.758 5.106 4.340 0.014 0.000 0.268 288 R C -1.471 174.972 176.300 0.239 0.000 1.014 288 R CA -1.136 55.139 56.100 0.291 0.000 0.946 288 R CB 3.034 33.375 30.300 0.068 0.000 1.208 288 R HN -0.028 nan 8.270 nan 0.000 0.477 289 V N 0.079 120.024 119.914 0.051 0.000 3.120 289 V HA 0.529 4.657 4.120 0.014 0.000 0.303 289 V C -1.566 174.477 176.094 -0.085 0.000 1.238 289 V CA -0.297 61.956 62.300 -0.078 0.000 1.008 289 V CB 2.824 34.464 31.823 -0.305 0.000 1.064 289 V HN 0.814 nan 8.190 nan 0.000 0.434 290 T N 6.903 121.415 114.554 -0.070 0.000 2.812 290 T HA 0.610 4.968 4.350 0.014 0.000 0.282 290 T C -1.037 173.623 174.700 -0.066 0.000 0.990 290 T CA -0.397 61.668 62.100 -0.058 0.000 0.960 290 T CB 1.099 69.947 68.868 -0.032 0.000 0.948 290 T HN 0.467 nan 8.240 nan 0.000 0.438 291 L N 3.475 124.658 121.223 -0.066 0.000 2.325 291 L HA 0.611 4.959 4.340 0.014 0.000 0.278 291 L C 0.364 177.205 176.870 -0.049 0.000 1.023 291 L CA -0.529 54.273 54.840 -0.064 0.000 0.811 291 L CB 1.523 43.540 42.059 -0.069 0.000 1.249 291 L HN 0.557 nan 8.230 nan 0.000 0.431 292 R N 3.007 123.479 120.500 -0.047 0.000 2.476 292 R HA 0.629 4.977 4.340 0.014 0.000 0.305 292 R C -1.422 174.851 176.300 -0.045 0.000 0.965 292 R CA -0.893 55.181 56.100 -0.044 0.000 0.867 292 R CB 2.105 32.380 30.300 -0.042 0.000 1.176 292 R HN 0.236 nan 8.270 nan 0.000 0.447 293 L N 2.895 124.092 121.223 -0.043 0.000 2.333 293 L HA 0.367 4.715 4.340 0.014 0.000 0.280 293 L C -0.357 176.485 176.870 -0.046 0.000 1.004 293 L CA -0.561 54.252 54.840 -0.045 0.000 0.820 293 L CB 1.659 43.695 42.059 -0.038 0.000 1.247 293 L HN 0.505 nan 8.230 nan 0.000 0.416 294 N N 1.814 120.481 118.700 -0.055 0.000 2.488 294 N HA 0.534 5.282 4.740 0.014 0.000 0.274 294 N C -1.072 174.390 175.510 -0.080 0.000 1.111 294 N CA -0.315 52.697 53.050 -0.062 0.000 0.974 294 N CB 1.422 39.875 38.487 -0.056 0.000 1.089 294 N HN 0.235 nan 8.380 nan 0.000 0.465 295 V N 2.040 121.891 119.914 -0.105 0.000 2.443 295 V HA 0.238 4.366 4.120 0.014 0.000 0.293 295 V C -0.475 175.530 176.094 -0.149 0.000 1.021 295 V CA -0.889 61.308 62.300 -0.171 0.000 0.848 295 V CB 1.398 33.020 31.823 -0.335 0.000 0.998 295 V HN 0.579 nan 8.190 nan 0.000 0.424 296 E N 2.993 123.131 120.200 -0.104 0.000 2.283 296 E HA 0.293 4.651 4.350 0.014 0.000 0.278 296 E C 0.205 176.775 176.600 -0.049 0.000 1.027 296 E CA -0.500 55.864 56.400 -0.059 0.000 0.843 296 E CB 0.473 30.151 29.700 -0.037 0.000 1.062 296 E HN 0.726 nan 8.360 nan 0.000 0.401 297 N N 1.006 119.701 118.700 -0.008 0.000 2.705 297 N HA -0.147 4.601 4.740 0.014 0.000 0.255 297 N C -2.440 173.074 175.510 0.006 0.000 1.008 297 N CA 0.256 53.318 53.050 0.020 0.000 0.742 297 N CB -1.072 37.430 38.487 0.025 0.000 0.906 297 N HN 0.369 nan 8.380 nan 0.000 0.541 298 P HA -0.007 nan 4.420 nan 0.000 0.269 298 P C -0.394 176.951 177.300 0.075 0.000 1.209 298 P CA 0.296 63.322 63.100 -0.124 0.000 0.776 298 P CB 0.766 32.207 31.700 -0.432 0.000 0.876 299 K N 2.774 123.307 120.400 0.222 0.000 2.349 299 K HA 0.260 4.589 4.320 0.014 0.000 0.289 299 K C 0.234 177.008 176.600 0.289 0.000 1.064 299 K CA -0.303 56.102 56.287 0.196 0.000 0.947 299 K CB 0.185 32.765 32.500 0.134 0.000 1.007 299 K HN 0.452 nan 8.250 nan 0.000 0.478 300 L N 2.480 123.791 121.223 0.148 0.000 2.375 300 L HA 0.322 4.670 4.340 0.014 0.000 0.271 300 L C 0.078 177.013 176.870 0.109 0.000 1.107 300 L CA -0.901 54.022 54.840 0.138 0.000 0.806 300 L CB 0.411 42.390 42.059 -0.132 0.000 1.146 300 L HN 0.568 nan 8.230 nan 0.000 0.447 301 W N 2.926 124.238 121.300 0.020 0.000 2.365 301 W HA 0.498 5.165 4.660 0.012 0.000 0.316 301 W C -0.004 176.436 176.519 -0.131 0.000 1.164 301 W CA 0.118 57.456 57.345 -0.012 0.000 1.204 301 W CB 1.355 30.863 29.460 0.080 0.000 1.213 301 W HN 0.641 nan 8.180 nan 0.000 0.539 302 S N 2.933 118.096 115.700 -0.895 0.000 2.615 302 S HA 0.653 5.131 4.470 0.014 0.000 0.269 302 S C 0.091 173.865 174.600 -1.377 0.000 1.161 302 S CA -0.376 57.304 58.200 -0.867 0.000 0.817 302 S CB 1.189 64.077 63.200 -0.519 0.000 1.131 302 S HN 0.940 nan 8.310 nan 0.000 0.467 303 A N 0.486 122.646 122.820 -1.100 0.000 2.014 303 A HA 0.065 4.393 4.320 0.014 0.000 0.218 303 A C 1.770 178.997 177.584 -0.595 0.000 1.163 303 A CA 1.442 52.865 52.037 -1.023 0.000 0.652 303 A CB -0.983 17.268 19.000 -1.250 0.000 0.808 303 A HN 0.884 nan 8.150 nan 0.000 0.449 304 E N -0.668 119.315 120.200 -0.362 0.000 2.072 304 E HA -0.018 4.340 4.350 0.014 0.000 0.191 304 E C -0.211 176.227 176.600 -0.270 0.000 0.985 304 E CA 0.843 57.100 56.400 -0.237 0.000 0.801 304 E CB -0.049 29.637 29.700 -0.023 0.000 0.750 304 E HN 0.634 nan 8.360 nan 0.000 0.452 305 I N 1.398 121.780 120.570 -0.313 0.000 2.583 305 I HA 0.159 4.337 4.170 0.014 0.000 0.276 305 I C -2.455 173.421 176.117 -0.403 0.000 1.089 305 I CA -1.856 59.285 61.300 -0.264 0.000 1.103 305 I CB 2.101 40.004 38.000 -0.161 0.000 1.209 305 I HN -0.210 nan 8.210 nan 0.000 0.484 306 P HA 0.054 nan 4.420 nan 0.000 0.225 306 P C -0.529 176.727 177.300 -0.072 0.000 1.768 306 P CA -0.189 62.593 63.100 -0.529 0.000 0.943 306 P CB -0.316 31.207 31.700 -0.295 0.000 1.936 307 N N 1.457 120.141 118.700 -0.027 0.000 2.411 307 N HA 0.087 4.835 4.740 0.014 0.000 0.261 307 N C 0.115 175.805 175.510 0.300 0.000 1.248 307 N CA 0.573 53.682 53.050 0.098 0.000 0.885 307 N CB 0.695 39.234 38.487 0.086 0.000 1.062 307 N HN 0.298 nan 8.380 nan 0.000 0.471 308 L N 2.298 123.623 121.223 0.171 0.000 2.388 308 L HA 0.474 4.822 4.340 0.014 0.000 0.264 308 L C -0.766 176.186 176.870 0.137 0.000 0.998 308 L CA -0.831 54.167 54.840 0.264 0.000 0.817 308 L CB 1.360 43.547 42.059 0.214 0.000 1.338 308 L HN 0.398 nan 8.230 nan 0.000 0.414 309 Y N 0.210 120.651 120.300 0.234 0.000 2.675 309 Y HA 0.671 5.230 4.550 0.014 0.000 0.328 309 Y C -0.194 175.812 175.900 0.177 0.000 1.092 309 Y CA -0.771 57.469 58.100 0.233 0.000 1.190 309 Y CB 1.564 40.228 38.460 0.341 0.000 1.350 309 Y HN 0.376 nan 8.280 nan 0.000 0.525 310 R N 0.900 121.629 120.500 0.381 0.000 2.437 310 R HA 0.785 5.134 4.340 0.014 0.000 0.310 310 R C -1.686 174.781 176.300 0.278 0.000 0.955 310 R CA -0.533 55.711 56.100 0.240 0.000 0.851 310 R CB 1.129 31.503 30.300 0.123 0.000 1.161 310 R HN 0.719 nan 8.270 nan 0.000 0.446 311 A N 3.948 126.874 122.820 0.178 0.000 2.288 311 A HA 0.601 4.929 4.320 0.014 0.000 0.320 311 A C -1.039 176.587 177.584 0.070 0.000 1.217 311 A CA -0.648 51.475 52.037 0.143 0.000 0.840 311 A CB 1.213 20.264 19.000 0.086 0.000 1.179 311 A HN 0.486 nan 8.150 nan 0.000 0.504 312 V N 3.634 123.598 119.914 0.084 0.000 2.384 312 V HA 0.350 4.479 4.120 0.014 0.000 0.287 312 V C -0.297 175.765 176.094 -0.053 0.000 1.020 312 V CA -0.500 61.791 62.300 -0.015 0.000 0.850 312 V CB 1.537 33.360 31.823 0.000 0.000 0.987 312 V HN 0.610 nan 8.190 nan 0.000 0.436 313 V N 4.936 124.752 119.914 -0.164 0.000 2.333 313 V HA 0.398 4.526 4.120 0.014 0.000 0.274 313 V C 0.027 176.058 176.094 -0.105 0.000 1.028 313 V CA -0.555 61.624 62.300 -0.202 0.000 0.851 313 V CB 1.078 32.617 31.823 -0.474 0.000 1.000 313 V HN 0.916 nan 8.190 nan 0.000 0.456 314 E N 3.974 124.165 120.200 -0.015 0.000 2.151 314 E HA 0.472 4.830 4.350 0.014 0.000 0.275 314 E C -0.951 175.734 176.600 0.143 0.000 0.936 314 E CA -0.859 55.584 56.400 0.072 0.000 0.777 314 E CB 2.354 32.119 29.700 0.107 0.000 1.108 314 E HN 0.470 nan 8.360 nan 0.000 0.401 315 L N 4.939 126.225 121.223 0.106 0.000 2.257 315 L HA 0.363 4.712 4.340 0.014 0.000 0.290 315 L C -0.893 176.073 176.870 0.161 0.000 1.044 315 L CA 0.154 55.053 54.840 0.099 0.000 0.810 315 L CB -0.259 41.849 42.059 0.081 0.000 1.193 315 L HN 0.676 nan 8.230 nan 0.000 0.425 316 H N 0.515 119.629 119.070 0.072 0.000 2.928 316 H HA 0.820 5.385 4.556 0.014 0.000 0.285 316 H C -0.766 174.633 175.328 0.117 0.000 1.438 316 H CA -0.442 55.651 56.048 0.074 0.000 1.176 316 H CB 0.814 30.599 29.762 0.039 0.000 1.864 316 H HN 0.471 nan 8.280 nan 0.000 0.567 317 T N -2.375 112.326 114.554 0.245 0.000 2.943 317 T HA 0.582 4.940 4.350 0.014 0.000 0.284 317 T C 1.333 176.175 174.700 0.237 0.000 1.015 317 T CA -0.399 61.820 62.100 0.199 0.000 1.042 317 T CB 1.583 70.521 68.868 0.116 0.000 1.055 317 T HN 0.958 nan 8.240 nan 0.000 0.500 318 A N 0.805 123.721 122.820 0.160 0.000 1.978 318 A HA -0.051 4.277 4.320 0.014 0.000 0.220 318 A C 1.663 179.323 177.584 0.126 0.000 1.170 318 A CA 1.847 53.967 52.037 0.138 0.000 0.636 318 A CB -1.082 17.983 19.000 0.108 0.000 0.810 318 A HN 0.928 nan 8.150 nan 0.000 0.448 319 D N -2.152 118.301 120.400 0.088 0.000 2.319 319 D HA 0.370 5.019 4.640 0.014 0.000 0.230 319 D C 1.084 177.412 176.300 0.046 0.000 1.094 319 D CA 1.087 55.115 54.000 0.047 0.000 0.856 319 D CB 0.158 40.961 40.800 0.006 0.000 0.915 319 D HN 0.549 nan 8.370 nan 0.000 0.517 320 G N -0.348 108.509 108.800 0.095 0.000 2.179 320 G HA2 -0.226 3.743 3.960 0.014 0.000 0.220 320 G HA3 -0.226 3.743 3.960 0.014 0.000 0.220 320 G C 0.511 175.436 174.900 0.042 0.000 0.990 320 G CA -0.151 44.978 45.100 0.049 0.000 0.646 320 G HN 0.283 nan 8.290 nan 0.000 0.517 321 T N 1.352 115.950 114.554 0.072 0.000 2.806 321 T HA 0.553 4.911 4.350 0.014 0.000 0.290 321 T C 0.111 174.875 174.700 0.107 0.000 0.966 321 T CA -0.234 61.900 62.100 0.057 0.000 1.060 321 T CB 1.964 70.847 68.868 0.026 0.000 0.927 321 T HN 0.558 nan 8.240 nan 0.000 0.485 322 L N 4.437 125.706 121.223 0.077 0.000 2.319 322 L HA 0.385 4.733 4.340 0.014 0.000 0.280 322 L C 0.573 177.497 176.870 0.089 0.000 1.099 322 L CA 0.215 55.115 54.840 0.099 0.000 0.828 322 L CB 0.300 42.392 42.059 0.055 0.000 1.150 322 L HN 0.638 nan 8.230 nan 0.000 0.442 323 I N 3.020 123.651 120.570 0.101 0.000 2.385 323 I HA 0.128 4.306 4.170 0.014 0.000 0.244 323 I C 0.366 176.504 176.117 0.035 0.000 1.089 323 I CA 0.788 62.126 61.300 0.064 0.000 1.410 323 I CB 0.034 38.076 38.000 0.070 0.000 1.117 323 I HN 0.834 nan 8.210 nan 0.000 0.429 324 E N -0.594 119.629 120.200 0.038 0.000 2.422 324 E HA 0.720 5.078 4.350 0.014 0.000 0.280 324 E C -1.495 175.126 176.600 0.035 0.000 1.091 324 E CA -1.154 55.259 56.400 0.022 0.000 0.849 324 E CB 1.295 30.968 29.700 -0.046 0.000 1.353 324 E HN -0.045 nan 8.360 nan 0.000 0.449 325 A N 1.009 123.872 122.820 0.072 0.000 2.475 325 A HA 0.733 5.062 4.320 0.014 0.000 0.301 325 A C -1.059 176.620 177.584 0.160 0.000 1.059 325 A CA -0.720 51.362 52.037 0.075 0.000 0.710 325 A CB 1.736 20.783 19.000 0.077 0.000 1.288 325 A HN 0.508 nan 8.150 nan 0.000 0.408 326 E N -0.479 119.751 120.200 0.050 0.000 2.378 326 E HA 0.837 5.195 4.350 0.014 0.000 0.265 326 E C -0.624 176.017 176.600 0.068 0.000 0.932 326 E CA -0.568 55.927 56.400 0.159 0.000 0.795 326 E CB 2.414 32.114 29.700 0.000 0.000 1.296 326 E HN 1.231 nan 8.360 nan 0.000 0.438 327 A N -0.044 122.943 122.820 0.278 0.000 2.608 327 A HA 0.706 5.034 4.320 0.014 0.000 0.292 327 A C -1.123 176.651 177.584 0.317 0.000 1.066 327 A CA -0.450 51.664 52.037 0.129 0.000 0.676 327 A CB 0.792 19.744 19.000 -0.081 0.000 1.277 327 A HN 0.853 nan 8.150 nan 0.000 0.413 328 C N -0.348 119.086 119.300 0.222 0.000 3.288 328 C HA 0.827 5.295 4.460 0.014 0.000 0.318 328 C C -1.405 173.670 174.990 0.142 0.000 1.356 328 C CA -0.890 58.264 59.018 0.226 0.000 1.359 328 C CB 1.204 29.105 27.740 0.268 0.000 1.688 328 C HN 0.812 nan 8.230 nan 0.000 0.467 329 D N 1.227 121.697 120.400 0.117 0.000 2.304 329 D HA 0.546 5.194 4.640 0.014 0.000 0.250 329 D C -0.343 175.998 176.300 0.067 0.000 1.107 329 D CA 0.137 54.205 54.000 0.113 0.000 0.885 329 D CB 1.899 42.769 40.800 0.116 0.000 1.192 329 D HN 0.550 nan 8.370 nan 0.000 0.436 330 V N 1.292 121.266 119.914 0.100 0.000 2.495 330 V HA 0.656 4.784 4.120 0.014 0.000 0.298 330 V C 0.629 176.754 176.094 0.052 0.000 1.031 330 V CA -0.815 61.481 62.300 -0.006 0.000 0.871 330 V CB 1.959 33.741 31.823 -0.068 0.000 0.988 330 V HN 0.604 nan 8.190 nan 0.000 0.432 331 G N 3.206 111.943 108.800 -0.105 0.000 2.422 331 G HA2 0.601 4.569 3.960 0.014 0.000 0.317 331 G HA3 0.601 4.569 3.960 0.014 0.000 0.317 331 G C -0.968 173.988 174.900 0.094 0.000 1.210 331 G CA -0.395 44.733 45.100 0.046 0.000 0.930 331 G HN 0.438 nan 8.290 nan 0.000 0.468 332 F N 4.012 124.161 119.950 0.332 0.000 2.462 332 F HA 0.416 4.951 4.527 0.013 0.000 0.360 332 F C 1.143 177.188 175.800 0.409 0.000 1.134 332 F CA -0.123 58.128 58.000 0.418 0.000 1.148 332 F CB 0.675 39.956 39.000 0.469 0.000 1.147 332 F HN 0.423 nan 8.300 nan 0.000 0.550 333 R N 3.125 123.921 120.500 0.492 0.000 2.643 333 R HA 0.421 4.769 4.340 0.014 0.000 0.269 333 R C -1.776 174.719 176.300 0.326 0.000 1.037 333 R CA -0.772 55.486 56.100 0.263 0.000 0.894 333 R CB 1.583 32.046 30.300 0.272 0.000 1.238 333 R HN 0.605 nan 8.270 nan 0.000 0.459 334 E N 2.317 122.633 120.200 0.193 0.000 2.171 334 E HA 0.466 4.825 4.350 0.014 0.000 0.271 334 E C -1.206 175.487 176.600 0.155 0.000 0.916 334 E CA -0.932 55.644 56.400 0.293 0.000 0.774 334 E CB 2.064 32.019 29.700 0.425 0.000 1.128 334 E HN 0.406 nan 8.360 nan 0.000 0.403 335 V N 5.584 125.575 119.914 0.128 0.000 2.409 335 V HA 0.567 4.695 4.120 0.014 0.000 0.291 335 V C -0.207 175.933 176.094 0.077 0.000 1.020 335 V CA -0.630 61.710 62.300 0.068 0.000 0.848 335 V CB 1.275 33.111 31.823 0.022 0.000 0.990 335 V HN 0.737 nan 8.190 nan 0.000 0.430 336 R N 4.459 125.001 120.500 0.070 0.000 2.710 336 R HA 0.711 5.060 4.340 0.014 0.000 0.270 336 R C -2.087 174.243 176.300 0.052 0.000 1.021 336 R CA -0.918 55.223 56.100 0.069 0.000 0.889 336 R CB 1.956 32.312 30.300 0.093 0.000 1.243 336 R HN 0.525 nan 8.270 nan 0.000 0.464 337 I N 1.443 122.042 120.570 0.048 0.000 2.354 337 I HA 0.353 4.531 4.170 0.014 0.000 0.292 337 I C -0.602 175.540 176.117 0.042 0.000 0.989 337 I CA -0.462 60.861 61.300 0.038 0.000 1.188 337 I CB 1.831 39.854 38.000 0.039 0.000 1.342 337 I HN 0.721 nan 8.210 nan 0.000 0.457 338 E N 6.023 126.245 120.200 0.036 0.000 2.290 338 E HA 0.252 4.610 4.350 0.014 0.000 0.274 338 E C -0.308 176.309 176.600 0.028 0.000 0.889 338 E CA -0.523 55.900 56.400 0.037 0.000 0.760 338 E CB 1.088 30.815 29.700 0.046 0.000 1.206 338 E HN 0.551 nan 8.360 nan 0.000 0.419 339 N N 2.999 121.715 118.700 0.027 0.000 2.741 339 N HA -0.221 4.528 4.740 0.014 0.000 0.250 339 N C 0.464 175.984 175.510 0.017 0.000 1.115 339 N CA 2.161 55.223 53.050 0.021 0.000 0.724 339 N CB -1.159 37.340 38.487 0.019 0.000 1.090 339 N HN 1.016 nan 8.380 nan 0.000 0.558 340 G N -2.280 106.531 108.800 0.018 0.000 2.176 340 G HA2 -0.269 3.699 3.960 0.014 0.000 0.253 340 G HA3 -0.269 3.699 3.960 0.014 0.000 0.253 340 G C -0.143 174.758 174.900 0.001 0.000 0.979 340 G CA 0.415 45.522 45.100 0.012 0.000 0.641 340 G HN 0.436 nan 8.290 nan 0.000 0.530 341 L N 0.175 121.399 121.223 0.001 0.000 2.365 341 L HA 0.686 5.035 4.340 0.014 0.000 0.273 341 L C 0.063 176.929 176.870 -0.008 0.000 1.000 341 L CA -1.336 53.497 54.840 -0.011 0.000 0.819 341 L CB 1.905 43.958 42.059 -0.010 0.000 1.284 341 L HN 0.086 nan 8.230 nan 0.000 0.418 342 L N 4.648 125.855 121.223 -0.027 0.000 2.325 342 L HA 0.398 4.746 4.340 0.014 0.000 0.284 342 L C -0.803 176.051 176.870 -0.027 0.000 1.089 342 L CA 0.460 55.283 54.840 -0.028 0.000 0.836 342 L CB 0.109 42.136 42.059 -0.053 0.000 1.184 342 L HN 0.382 nan 8.230 nan 0.000 0.444 343 L N 5.881 127.105 121.223 0.002 0.000 2.334 343 L HA 0.496 4.845 4.340 0.014 0.000 0.276 343 L C -0.695 176.190 176.870 0.025 0.000 1.014 343 L CA -0.777 54.074 54.840 0.019 0.000 0.815 343 L CB 1.824 43.916 42.059 0.055 0.000 1.268 343 L HN 0.453 nan 8.230 nan 0.000 0.428 344 L N 4.465 125.713 121.223 0.042 0.000 2.325 344 L HA 0.422 4.770 4.340 0.014 0.000 0.281 344 L C -0.302 176.590 176.870 0.035 0.000 1.004 344 L CA -0.108 54.761 54.840 0.048 0.000 0.823 344 L CB 1.076 43.164 42.059 0.048 0.000 1.236 344 L HN 0.759 nan 8.230 nan 0.000 0.415 345 N N 4.209 122.804 118.700 -0.175 0.000 2.727 345 N HA -0.216 4.532 4.740 0.014 0.000 0.249 345 N C 1.070 176.291 175.510 -0.481 0.000 1.048 345 N CA 1.240 53.859 53.050 -0.719 0.000 0.714 345 N CB -1.279 36.705 38.487 -0.839 0.000 0.959 345 N HN 1.116 nan 8.380 nan 0.000 0.544 346 G N -2.018 106.782 108.800 -0.001 0.000 2.184 346 G HA2 -0.357 3.612 3.960 0.014 0.000 0.264 346 G HA3 -0.357 3.612 3.960 0.014 0.000 0.264 346 G C -0.042 174.905 174.900 0.077 0.000 0.975 346 G CA 0.955 46.141 45.100 0.143 0.000 0.642 346 G HN 0.422 nan 8.290 nan 0.000 0.536 347 K N 0.682 121.120 120.400 0.062 0.000 2.259 347 K HA 0.548 4.877 4.320 0.014 0.000 0.252 347 K C -2.807 173.784 176.600 -0.015 0.000 0.936 347 K CA -2.212 54.071 56.287 -0.008 0.000 0.810 347 K CB 2.594 35.014 32.500 -0.134 0.000 1.143 347 K HN 0.052 nan 8.250 nan 0.000 0.427 348 P HA 0.237 nan 4.420 nan 0.000 0.282 348 P C -0.127 177.129 177.300 -0.073 0.000 1.262 348 P CA -0.328 62.742 63.100 -0.051 0.000 0.773 348 P CB 0.584 32.252 31.700 -0.052 0.000 0.879 349 L N 3.284 124.460 121.223 -0.078 0.000 2.452 349 L HA 0.270 4.618 4.340 0.014 0.000 0.267 349 L C 0.651 177.459 176.870 -0.104 0.000 1.188 349 L CA -0.545 54.241 54.840 -0.090 0.000 0.821 349 L CB 0.273 42.233 42.059 -0.164 0.000 1.102 349 L HN 0.273 nan 8.230 nan 0.000 0.470 350 L N 4.006 125.188 121.223 -0.069 0.000 2.388 350 L HA 0.412 4.760 4.340 0.014 0.000 0.267 350 L C -0.507 176.338 176.870 -0.041 0.000 0.995 350 L CA -0.217 54.567 54.840 -0.094 0.000 0.864 350 L CB 0.810 42.842 42.059 -0.045 0.000 1.216 350 L HN 0.252 nan 8.230 nan 0.000 0.430 351 I N 4.799 125.271 120.570 -0.163 0.000 2.421 351 I HA 0.175 4.353 4.170 0.014 0.000 0.291 351 I C 0.582 176.670 176.117 -0.048 0.000 1.089 351 I CA 0.227 61.434 61.300 -0.155 0.000 1.354 351 I CB 0.335 38.110 38.000 -0.375 0.000 1.413 351 I HN 0.560 nan 8.210 nan 0.000 0.513 352 R N 4.832 125.392 120.500 0.099 0.000 3.070 352 R HA 0.440 4.789 4.340 0.014 0.000 0.252 352 R C 0.534 176.977 176.300 0.238 0.000 1.370 352 R CA -0.266 55.932 56.100 0.162 0.000 1.482 352 R CB 0.762 30.976 30.300 -0.143 0.000 1.220 352 R HN 0.765 nan 8.270 nan 0.000 0.622 353 G N 0.045 108.940 108.800 0.158 0.000 2.597 353 G HA2 0.605 4.574 3.960 0.014 0.000 0.317 353 G HA3 0.605 4.574 3.960 0.014 0.000 0.317 353 G C -1.315 173.894 174.900 0.514 0.000 1.230 353 G CA -0.481 44.696 45.100 0.129 0.000 0.996 353 G HN 0.217 nan 8.290 nan 0.000 0.490 354 V N -0.005 120.193 119.914 0.473 0.000 3.012 354 V HA 0.465 4.594 4.120 0.014 0.000 0.307 354 V C -1.211 175.015 176.094 0.220 0.000 1.166 354 V CA -1.215 61.235 62.300 0.250 0.000 0.974 354 V CB 2.268 33.920 31.823 -0.286 0.000 1.040 354 V HN 0.749 nan 8.190 nan 0.000 0.428 355 N N 4.180 122.925 118.700 0.074 0.000 2.499 355 N HA 0.432 5.181 4.740 0.014 0.000 0.281 355 N C -0.716 174.584 175.510 -0.351 0.000 1.098 355 N CA -0.252 52.700 53.050 -0.163 0.000 0.979 355 N CB 1.500 39.856 38.487 -0.219 0.000 1.121 355 N HN 0.625 nan 8.380 nan 0.000 0.466 356 R N 2.182 122.443 120.500 -0.399 0.000 2.502 356 R HA 0.233 4.581 4.340 0.014 0.000 0.300 356 R C -0.893 175.139 176.300 -0.447 0.000 0.984 356 R CA -0.550 55.331 56.100 -0.365 0.000 0.882 356 R CB 0.821 30.889 30.300 -0.387 0.000 1.180 356 R HN 0.581 nan 8.270 nan 0.000 0.444 357 H N 2.121 121.025 119.070 -0.276 0.000 2.508 357 H HA 0.139 4.703 4.556 0.014 0.000 0.358 357 H C -0.483 174.837 175.328 -0.015 0.000 1.212 357 H CA -0.042 55.942 56.048 -0.107 0.000 1.356 357 H CB 1.487 31.244 29.762 -0.009 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.727 122.104 120.200 0.296 0.000 1.963 358 E HA 0.105 4.464 4.350 0.014 0.000 0.274 358 E C -0.753 175.980 176.600 0.222 0.000 1.061 358 E CA -0.029 56.469 56.400 0.162 0.000 0.847 358 E CB 0.262 30.072 29.700 0.183 0.000 1.083 358 E HN 0.364 nan 8.360 nan 0.000 0.402 359 H N 1.722 120.847 119.070 0.092 0.000 2.865 359 H HA 0.282 4.847 4.556 0.014 0.000 0.362 359 H C -1.640 173.747 175.328 0.099 0.000 1.114 359 H CA -0.663 55.439 56.048 0.089 0.000 1.208 359 H CB 1.070 30.870 29.762 0.063 0.000 1.727 359 H HN 0.398 nan 8.280 nan 0.000 0.534 360 H N 6.052 124.648 119.070 -0.790 0.000 2.856 360 H HA 0.216 4.780 4.556 0.014 0.000 0.355 360 H C -2.411 172.555 175.328 -0.604 0.000 1.079 360 H CA -2.346 53.435 56.048 -0.445 0.000 1.240 360 H CB 2.753 32.412 29.762 -0.171 0.000 1.701 360 H HN 0.525 nan 8.280 nan 0.000 0.527 361 P HA -0.088 nan 4.420 nan 0.000 0.223 361 P C 1.230 178.468 177.300 -0.104 0.000 1.151 361 P CA 0.540 63.536 63.100 -0.174 0.000 0.787 361 P CB 1.059 32.672 31.700 -0.144 0.000 0.788 362 L N -1.586 119.697 121.223 0.101 0.000 2.362 362 L HA 0.082 4.431 4.340 0.014 0.000 0.204 362 L C 1.948 178.612 176.870 -0.345 0.000 1.060 362 L CA 1.156 55.898 54.840 -0.164 0.000 0.827 362 L CB -0.878 40.967 42.059 -0.358 0.000 1.027 362 L HN 0.088 nan 8.230 nan 0.000 0.474 363 H N -0.985 118.018 119.070 -0.112 0.000 2.539 363 H HA 0.299 4.863 4.556 0.014 0.000 0.269 363 H C 1.480 176.683 175.328 -0.207 0.000 0.980 363 H CA 0.345 56.233 56.048 -0.267 0.000 1.152 363 H CB 0.418 29.900 29.762 -0.467 0.000 1.407 363 H HN 0.414 nan 8.280 nan 0.000 0.564 364 G N 1.423 110.126 108.800 -0.162 0.000 2.543 364 G HA2 -0.386 3.582 3.960 0.014 0.000 0.286 364 G HA3 -0.386 3.582 3.960 0.014 0.000 0.286 364 G C 0.682 175.489 174.900 -0.156 0.000 1.153 364 G CA 0.357 45.323 45.100 -0.223 0.000 0.968 364 G HN 0.461 nan 8.290 nan 0.000 0.544 365 Q N -0.004 119.730 119.800 -0.111 0.000 2.220 365 Q HA 0.446 4.795 4.340 0.014 0.000 0.205 365 Q C 0.385 176.467 176.000 0.137 0.000 0.865 365 Q CA -0.053 55.730 55.803 -0.033 0.000 0.960 365 Q CB 1.182 29.799 28.738 -0.202 0.000 1.097 365 Q HN 0.388 nan 8.270 nan 0.000 0.493 366 V N 2.080 122.051 119.914 0.096 0.000 2.488 366 V HA 0.163 4.292 4.120 0.014 0.000 0.277 366 V C 0.187 176.310 176.094 0.049 0.000 1.046 366 V CA 0.158 62.518 62.300 0.099 0.000 0.986 366 V CB 0.830 32.648 31.823 -0.008 0.000 0.989 366 V HN 0.312 nan 8.190 nan 0.000 0.475 367 M N 4.561 124.193 119.600 0.054 0.000 2.537 367 M HA 0.511 4.999 4.480 0.014 0.000 0.324 367 M C -0.550 175.683 176.300 -0.112 0.000 1.187 367 M CA -0.646 54.643 55.300 -0.018 0.000 0.993 367 M CB 1.762 34.320 32.600 -0.069 0.000 1.666 367 M HN 0.941 nan 8.290 nan 0.000 0.461 368 D N -1.384 118.962 120.400 -0.089 0.000 2.547 368 D HA 0.271 4.919 4.640 0.014 0.000 0.231 368 D C 0.398 176.665 176.300 -0.055 0.000 1.099 368 D CA -0.686 53.260 54.000 -0.090 0.000 0.901 368 D CB 1.507 42.276 40.800 -0.052 0.000 1.478 368 D HN 0.688 nan 8.370 nan 0.000 0.471 369 E N 0.151 120.327 120.200 -0.039 0.000 2.070 369 E HA -0.390 3.969 4.350 0.014 0.000 0.197 369 E C 1.765 178.400 176.600 0.058 0.000 1.004 369 E CA 1.863 58.273 56.400 0.017 0.000 0.805 369 E CB 0.081 29.807 29.700 0.043 0.000 0.744 369 E HN 0.639 nan 8.360 nan 0.000 0.451 370 Q N -0.071 119.766 119.800 0.061 0.000 2.061 370 Q HA -0.172 4.177 4.340 0.014 0.000 0.204 370 Q C 1.973 178.030 176.000 0.095 0.000 0.984 370 Q CA 2.797 58.648 55.803 0.080 0.000 0.846 370 Q CB -0.450 28.338 28.738 0.083 0.000 0.902 370 Q HN 0.177 nan 8.270 nan 0.000 0.421 371 T N 0.697 115.316 114.554 0.109 0.000 2.821 371 T HA -0.066 4.292 4.350 0.014 0.000 0.267 371 T C 1.773 176.548 174.700 0.125 0.000 1.046 371 T CA 1.532 63.710 62.100 0.129 0.000 1.139 371 T CB -0.175 68.800 68.868 0.178 0.000 0.871 371 T HN 0.302 nan 8.240 nan 0.000 0.454 372 M N 0.563 120.238 119.600 0.125 0.000 2.117 372 M HA -0.085 4.403 4.480 0.014 0.000 0.262 372 M C 2.462 178.878 176.300 0.193 0.000 1.065 372 M CA 1.265 56.709 55.300 0.239 0.000 1.114 372 M CB -0.574 32.199 32.600 0.289 0.000 1.361 372 M HN 0.096 nan 8.290 nan 0.000 0.408 373 V N 0.252 120.218 119.914 0.088 0.000 2.343 373 V HA -0.301 3.828 4.120 0.014 0.000 0.247 373 V C 2.329 178.401 176.094 -0.036 0.000 1.051 373 V CA 2.031 64.317 62.300 -0.023 0.000 1.036 373 V CB -0.804 31.040 31.823 0.035 0.000 0.654 373 V HN 0.561 nan 8.190 nan 0.000 0.451 374 Q N -0.471 119.359 119.800 0.051 0.000 2.084 374 Q HA -0.262 4.086 4.340 0.014 0.000 0.202 374 Q C 1.940 178.005 176.000 0.108 0.000 0.978 374 Q CA 2.047 57.897 55.803 0.078 0.000 0.844 374 Q CB -0.094 28.709 28.738 0.108 0.000 0.898 374 Q HN 0.623 nan 8.270 nan 0.000 0.426 375 D N 0.272 120.751 120.400 0.131 0.000 2.097 375 D HA -0.123 4.526 4.640 0.014 0.000 0.197 375 D C 1.933 178.193 176.300 -0.066 0.000 0.984 375 D CA 1.067 55.146 54.000 0.132 0.000 0.826 375 D CB -0.192 40.670 40.800 0.104 0.000 0.973 375 D HN 0.329 nan 8.370 nan 0.000 0.460 376 I N 0.864 121.381 120.570 -0.087 0.000 2.163 376 I HA -0.256 3.923 4.170 0.014 0.000 0.243 376 I C 2.428 178.404 176.117 -0.236 0.000 1.085 376 I CA 0.734 61.876 61.300 -0.264 0.000 1.347 376 I CB -0.202 37.506 38.000 -0.486 0.000 1.044 376 I HN 0.000 nan 8.210 nan 0.000 0.408 377 L N -0.003 121.109 121.223 -0.186 0.000 2.012 377 L HA -0.246 4.102 4.340 0.014 0.000 0.210 377 L C 2.579 179.503 176.870 0.091 0.000 1.073 377 L CA 1.502 56.323 54.840 -0.032 0.000 0.748 377 L CB -0.723 41.340 42.059 0.006 0.000 0.891 377 L HN 0.307 nan 8.230 nan 0.000 0.431 378 L N -0.895 120.407 121.223 0.132 0.000 2.093 378 L HA -0.215 4.133 4.340 0.014 0.000 0.208 378 L C 2.719 179.747 176.870 0.264 0.000 1.085 378 L CA 1.224 56.227 54.840 0.271 0.000 0.755 378 L CB -0.209 42.131 42.059 0.468 0.000 0.904 378 L HN 0.294 nan 8.230 nan 0.000 0.435 379 M N -0.644 118.931 119.600 -0.041 0.000 2.086 379 M HA -0.255 4.233 4.480 0.014 0.000 0.261 379 M C 2.235 178.617 176.300 0.138 0.000 1.067 379 M CA 1.887 57.093 55.300 -0.156 0.000 1.116 379 M CB -0.352 31.906 32.600 -0.571 0.000 1.348 379 M HN 0.059 nan 8.290 nan 0.000 0.407 380 K N 0.028 120.417 120.400 -0.018 0.000 2.097 380 K HA -0.178 4.150 4.320 0.014 0.000 0.206 380 K C 1.985 178.609 176.600 0.040 0.000 1.049 380 K CA 1.322 57.517 56.287 -0.153 0.000 0.933 380 K CB -0.225 31.983 32.500 -0.487 0.000 0.717 380 K HN 0.444 nan 8.250 nan 0.000 0.442 381 Q N 0.360 120.323 119.800 0.270 0.000 2.291 381 Q HA -0.043 4.305 4.340 0.014 0.000 0.205 381 Q C 0.777 177.084 176.000 0.511 0.000 0.970 381 Q CA 0.750 56.812 55.803 0.432 0.000 0.876 381 Q CB 0.131 29.083 28.738 0.357 0.000 0.935 381 Q HN 0.274 nan 8.270 nan 0.000 0.455 382 N N 0.659 119.612 118.700 0.423 0.000 2.320 382 N HA 0.054 4.802 4.740 0.014 0.000 0.237 382 N C -0.643 174.975 175.510 0.180 0.000 1.129 382 N CA 0.019 53.302 53.050 0.390 0.000 0.854 382 N CB 0.664 39.450 38.487 0.499 0.000 1.083 382 N HN 0.162 nan 8.380 nan 0.000 0.504 383 N N 0.133 118.957 118.700 0.207 0.000 2.782 383 N HA -0.187 4.561 4.740 0.014 0.000 0.251 383 N C -0.788 174.671 175.510 -0.085 0.000 1.101 383 N CA 0.802 53.931 53.050 0.132 0.000 0.764 383 N CB -1.732 36.739 38.487 -0.026 0.000 1.122 383 N HN 0.262 nan 8.380 nan 0.000 0.561 384 F N 1.129 121.108 119.950 0.048 0.000 2.375 384 F HA 0.287 4.822 4.527 0.013 0.000 0.333 384 F C 1.796 177.598 175.800 0.003 0.000 1.104 384 F CA -0.475 57.533 58.000 0.014 0.000 1.149 384 F CB 0.740 39.722 39.000 -0.030 0.000 1.190 384 F HN 0.055 nan 8.300 nan 0.000 0.533 385 N N 0.684 119.514 118.700 0.216 0.000 2.160 385 N HA 0.463 5.211 4.740 0.014 0.000 0.226 385 N C -0.914 174.653 175.510 0.095 0.000 1.256 385 N CA 0.004 53.106 53.050 0.086 0.000 0.890 385 N CB 0.752 39.330 38.487 0.152 0.000 1.116 385 N HN 0.514 nan 8.380 nan 0.000 0.517 386 A N -0.697 122.246 122.820 0.205 0.000 2.608 386 A HA 0.728 5.056 4.320 0.014 0.000 0.292 386 A C -1.876 175.927 177.584 0.365 0.000 1.066 386 A CA -0.603 51.616 52.037 0.305 0.000 0.676 386 A CB 1.557 20.771 19.000 0.358 0.000 1.277 386 A HN 0.290 nan 8.150 nan 0.000 0.413 387 V N 0.788 120.973 119.914 0.452 0.000 2.971 387 V HA 0.829 4.957 4.120 0.014 0.000 0.309 387 V C -0.740 175.495 176.094 0.235 0.000 1.130 387 V CA -0.700 61.820 62.300 0.366 0.000 0.964 387 V CB 1.970 33.933 31.823 0.234 0.000 1.029 387 V HN 1.166 nan 8.190 nan 0.000 0.427 388 R N 4.657 125.126 120.500 -0.051 0.000 2.338 388 R HA 0.498 4.846 4.340 0.014 0.000 0.317 388 R C -0.775 175.382 176.300 -0.239 0.000 0.968 388 R CA -0.452 55.446 56.100 -0.337 0.000 0.849 388 R CB 1.073 30.970 30.300 -0.671 0.000 1.128 388 R HN 0.825 nan 8.270 nan 0.000 0.448 389 C N 4.527 123.721 119.300 -0.176 0.000 3.031 389 C HA 0.105 4.574 4.460 0.014 0.000 0.489 389 C C 0.552 175.273 174.990 -0.449 0.000 1.020 389 C CA -0.418 58.444 59.018 -0.261 0.000 1.104 389 C CB -2.113 25.589 27.740 -0.062 0.000 1.470 389 C HN 0.729 nan 8.230 nan 0.000 0.583 390 S N 1.659 116.968 115.700 -0.651 0.000 2.488 390 S HA 0.184 4.662 4.470 0.014 0.000 0.278 390 S C -0.128 173.607 174.600 -1.441 0.000 1.259 390 S CA 0.070 57.652 58.200 -1.030 0.000 1.061 390 S CB 0.169 62.700 63.200 -1.114 0.000 0.910 390 S HN 0.732 nan 8.310 nan 0.000 0.491 391 H N 3.833 122.289 119.070 -1.023 0.000 2.439 391 H HA 0.337 4.901 4.556 0.014 0.000 0.230 391 H C -1.184 174.003 175.328 -0.235 0.000 1.420 391 H CA -0.331 55.491 56.048 -0.376 0.000 1.305 391 H CB -0.181 29.563 29.762 -0.031 0.000 1.667 391 H HN 0.883 nan 8.280 nan 0.000 0.515 392 Y N -2.741 117.664 120.300 0.174 0.000 2.765 392 Y HA 0.366 4.924 4.550 0.015 0.000 0.350 392 Y C -3.288 172.718 175.900 0.178 0.000 1.196 392 Y CA -3.049 55.160 58.100 0.182 0.000 1.119 392 Y CB -0.029 38.541 38.460 0.184 0.000 1.368 392 Y HN -0.068 nan 8.280 nan 0.000 0.463 393 P HA 0.161 nan 4.420 nan 0.000 0.268 393 P C -0.608 176.978 177.300 0.475 0.000 1.205 393 P CA 0.148 63.493 63.100 0.409 0.000 0.771 393 P CB 0.592 32.461 31.700 0.281 0.000 0.858 394 N N 0.433 119.438 118.700 0.509 0.000 2.447 394 N HA 0.093 4.841 4.740 0.014 0.000 0.271 394 N C 0.127 175.882 175.510 0.408 0.000 1.226 394 N CA -0.600 52.661 53.050 0.353 0.000 0.980 394 N CB 0.336 38.821 38.487 -0.003 0.000 1.206 394 N HN 0.598 nan 8.380 nan 0.000 0.558 395 H N 2.074 121.251 119.070 0.179 0.000 2.972 395 H HA -0.000 4.564 4.556 0.014 0.000 0.343 395 H C -1.624 173.871 175.328 0.278 0.000 1.054 395 H CA -0.772 55.365 56.048 0.149 0.000 1.412 395 H CB 1.008 30.822 29.762 0.086 0.000 1.385 395 H HN 0.428 nan 8.280 nan 0.000 0.600 396 P HA -0.218 nan 4.420 nan 0.000 0.216 396 P C 1.821 179.411 177.300 0.483 0.000 1.150 396 P CA 0.730 64.040 63.100 0.350 0.000 0.843 396 P CB 0.224 31.989 31.700 0.109 0.000 0.787 397 L N -0.854 120.753 121.223 0.639 0.000 2.191 397 L HA -0.060 4.289 4.340 0.014 0.000 0.212 397 L C 2.387 179.427 176.870 0.283 0.000 1.103 397 L CA 1.383 56.467 54.840 0.407 0.000 0.769 397 L CB -1.596 40.642 42.059 0.298 0.000 0.908 397 L HN 0.056 nan 8.230 nan 0.000 0.438 398 W N -0.593 120.736 121.300 0.049 0.000 2.342 398 W HA -0.323 4.345 4.660 0.013 0.000 0.297 398 W C 2.006 178.358 176.519 -0.278 0.000 1.213 398 W CA 1.753 58.989 57.345 -0.181 0.000 1.251 398 W CB -0.306 28.946 29.460 -0.347 0.000 1.136 398 W HN 0.282 nan 8.180 nan 0.000 0.526 399 Y N 0.672 120.899 120.300 -0.122 0.000 2.200 399 Y HA -0.200 4.358 4.550 0.013 0.000 0.290 399 Y C 2.889 178.526 175.900 -0.438 0.000 1.137 399 Y CA 2.172 59.970 58.100 -0.503 0.000 1.163 399 Y CB -1.256 36.572 38.460 -1.054 0.000 0.988 399 Y HN -0.243 nan 8.280 nan 0.000 0.518 400 T N 0.612 115.141 114.554 -0.042 0.000 2.777 400 T HA -0.124 4.234 4.350 0.014 0.000 0.266 400 T C 1.976 176.698 174.700 0.037 0.000 1.040 400 T CA 1.289 63.458 62.100 0.115 0.000 1.141 400 T CB -0.510 68.483 68.868 0.209 0.000 0.868 400 T HN 0.213 nan 8.240 nan 0.000 0.444 401 L N 0.339 121.542 121.223 -0.032 0.000 2.056 401 L HA -0.087 4.261 4.340 0.014 0.000 0.207 401 L C 2.850 179.677 176.870 -0.072 0.000 1.078 401 L CA 0.848 55.688 54.840 0.001 0.000 0.749 401 L CB -0.736 41.302 42.059 -0.035 0.000 0.901 401 L HN 0.359 nan 8.230 nan 0.000 0.433 402 C N -0.143 118.940 119.300 -0.361 0.000 2.425 402 C HA -0.145 4.324 4.460 0.014 0.000 0.277 402 C C 2.413 177.428 174.990 0.042 0.000 1.280 402 C CA 0.496 59.335 59.018 -0.297 0.000 1.744 402 C CB -0.797 26.658 27.740 -0.475 0.000 1.989 402 C HN 0.540 nan 8.230 nan 0.000 0.491 403 D N 0.378 120.816 120.400 0.063 0.000 2.144 403 D HA -0.080 4.568 4.640 0.014 0.000 0.200 403 D C 2.388 178.892 176.300 0.339 0.000 0.978 403 D CA 1.133 55.261 54.000 0.212 0.000 0.833 403 D CB -0.311 40.565 40.800 0.127 0.000 0.961 403 D HN 0.530 nan 8.370 nan 0.000 0.470 404 R N -1.018 119.573 120.500 0.152 0.000 2.112 404 R HA 0.039 4.388 4.340 0.014 0.000 0.216 404 R C 1.945 178.206 176.300 -0.064 0.000 1.080 404 R CA 0.471 56.597 56.100 0.044 0.000 0.996 404 R CB -0.104 30.154 30.300 -0.069 0.000 0.902 404 R HN 0.253 nan 8.270 nan 0.000 0.449 405 Y N -0.004 120.293 120.300 -0.005 0.000 2.490 405 Y HA 0.185 4.743 4.550 0.013 0.000 0.285 405 Y C 0.932 176.746 175.900 -0.143 0.000 1.117 405 Y CA 0.694 58.764 58.100 -0.050 0.000 1.262 405 Y CB 0.787 39.193 38.460 -0.090 0.000 1.043 405 Y HN 0.217 nan 8.280 nan 0.000 0.553 406 G N 1.320 110.132 108.800 0.020 0.000 2.884 406 G HA2 -0.174 3.794 3.960 0.014 0.000 0.261 406 G HA3 -0.174 3.794 3.960 0.014 0.000 0.261 406 G C -1.138 173.595 174.900 -0.279 0.000 1.025 406 G CA -0.509 44.470 45.100 -0.201 0.000 1.228 406 G HN 0.177 nan 8.290 nan 0.000 0.558 407 L N 1.033 122.168 121.223 -0.147 0.000 2.431 407 L HA 0.515 4.863 4.340 0.014 0.000 0.266 407 L C 0.074 176.948 176.870 0.007 0.000 0.978 407 L CA -1.337 53.386 54.840 -0.194 0.000 0.822 407 L CB 1.948 43.916 42.059 -0.151 0.000 1.310 407 L HN 0.450 nan 8.230 nan 0.000 0.409 408 Y N 1.791 122.214 120.300 0.205 0.000 2.359 408 Y HA 0.373 4.933 4.550 0.016 0.000 0.330 408 Y C 0.194 176.224 175.900 0.216 0.000 1.143 408 Y CA -0.677 57.580 58.100 0.262 0.000 1.318 408 Y CB 1.216 39.811 38.460 0.226 0.000 1.234 408 Y HN 0.155 nan 8.280 nan 0.000 0.522 409 V N 4.301 124.413 119.914 0.330 0.000 2.604 409 V HA 0.310 4.439 4.120 0.014 0.000 0.305 409 V C -0.598 175.585 176.094 0.149 0.000 1.043 409 V CA -0.993 61.440 62.300 0.221 0.000 0.888 409 V CB 1.923 33.842 31.823 0.159 0.000 0.995 409 V HN 0.465 nan 8.190 nan 0.000 0.429 410 V N 3.434 123.406 119.914 0.097 0.000 2.333 410 V HA 0.335 4.463 4.120 0.014 0.000 0.274 410 V C -0.297 175.838 176.094 0.069 0.000 1.028 410 V CA -0.383 61.922 62.300 0.009 0.000 0.851 410 V CB 1.467 33.188 31.823 -0.170 0.000 1.000 410 V HN 0.860 nan 8.190 nan 0.000 0.456 411 D N 4.176 124.656 120.400 0.134 0.000 2.249 411 D HA 0.304 4.952 4.640 0.014 0.000 0.246 411 D C -0.219 176.272 176.300 0.318 0.000 1.114 411 D CA -0.090 54.085 54.000 0.293 0.000 0.854 411 D CB 1.376 42.390 40.800 0.357 0.000 1.132 411 D HN 0.682 nan 8.370 nan 0.000 0.461 412 E N 1.777 122.129 120.200 0.252 0.000 2.187 412 E HA 0.624 4.982 4.350 0.014 0.000 0.268 412 E C -0.993 175.744 176.600 0.229 0.000 0.896 412 E CA -1.009 55.524 56.400 0.222 0.000 0.766 412 E CB 1.346 31.128 29.700 0.136 0.000 1.142 412 E HN 0.447 nan 8.360 nan 0.000 0.408 413 A N 3.807 126.753 122.820 0.210 0.000 2.425 413 A HA 0.111 4.439 4.320 0.014 0.000 0.242 413 A C 0.297 178.002 177.584 0.202 0.000 1.077 413 A CA -0.337 51.804 52.037 0.174 0.000 0.781 413 A CB 0.225 19.292 19.000 0.111 0.000 1.020 413 A HN 0.710 nan 8.150 nan 0.000 0.494 414 N N 0.969 119.796 118.700 0.212 0.000 3.050 414 N HA 0.251 5.000 4.740 0.014 0.000 0.289 414 N C -1.078 174.559 175.510 0.211 0.000 1.209 414 N CA 0.224 53.431 53.050 0.263 0.000 1.154 414 N CB -0.889 37.754 38.487 0.261 0.000 1.444 414 N HN 0.468 nan 8.380 nan 0.000 0.529 415 I N 0.884 121.572 120.570 0.197 0.000 2.497 415 I HA 0.269 4.447 4.170 0.014 0.000 0.284 415 I C -0.576 175.639 176.117 0.164 0.000 1.060 415 I CA -0.611 60.788 61.300 0.166 0.000 1.071 415 I CB 1.754 39.825 38.000 0.119 0.000 1.216 415 I HN 0.221 nan 8.210 nan 0.000 0.442 416 E N 4.308 124.601 120.200 0.155 0.000 2.274 416 E HA 0.405 4.764 4.350 0.014 0.000 0.269 416 E C -0.601 176.061 176.600 0.103 0.000 0.891 416 E CA -0.498 55.965 56.400 0.105 0.000 0.784 416 E CB 1.669 31.409 29.700 0.067 0.000 1.225 416 E HN 0.592 nan 8.360 nan 0.000 0.412 417 T N 0.616 115.224 114.554 0.090 0.000 3.448 417 T HA 0.167 4.525 4.350 0.014 0.000 0.271 417 T C 0.835 175.592 174.700 0.094 0.000 1.002 417 T CA -0.352 61.828 62.100 0.133 0.000 0.995 417 T CB -0.283 68.650 68.868 0.108 0.000 1.153 417 T HN 0.662 nan 8.240 nan 0.000 0.510 418 H N 1.106 120.095 119.070 -0.135 0.000 2.390 418 H HA -0.035 4.529 4.556 0.015 0.000 0.298 418 H C 2.309 177.536 175.328 -0.169 0.000 1.106 418 H CA 1.233 57.182 56.048 -0.165 0.000 1.297 418 H CB -0.138 29.489 29.762 -0.224 0.000 1.375 418 H HN 0.587 nan 8.280 nan 0.000 0.509 419 G N 0.154 108.854 108.800 -0.167 0.000 2.744 419 G HA2 -0.041 3.927 3.960 0.014 0.000 0.211 419 G HA3 -0.041 3.927 3.960 0.014 0.000 0.211 419 G C 0.493 175.532 174.900 0.232 0.000 1.143 419 G CA -0.134 44.906 45.100 -0.100 0.000 0.788 419 G HN 0.143 nan 8.290 nan 0.000 0.534 420 M N 0.359 120.122 119.600 0.273 0.000 2.198 420 M HA 0.344 4.832 4.480 0.014 0.000 0.315 420 M C -0.383 175.961 176.300 0.073 0.000 1.134 420 M CA -0.318 55.084 55.300 0.170 0.000 1.171 420 M CB 1.398 34.052 32.600 0.090 0.000 1.413 420 M HN -0.211 nan 8.290 nan 0.000 0.467 421 V N 3.376 123.310 119.914 0.034 0.000 2.482 421 V HA 0.383 4.511 4.120 0.014 0.000 0.295 421 V C -2.003 174.089 176.094 -0.003 0.000 1.026 421 V CA -1.315 60.990 62.300 0.009 0.000 0.856 421 V CB 1.797 33.619 31.823 -0.002 0.000 1.001 421 V HN 0.724 nan 8.190 nan 0.000 0.424 422 P HA 0.263 nan 4.420 nan 0.000 0.277 422 P C 1.006 178.315 177.300 0.015 0.000 1.276 422 P CA -0.509 62.593 63.100 0.003 0.000 0.788 422 P CB 0.993 32.695 31.700 0.003 0.000 1.114 423 M N 0.418 120.033 119.600 0.025 0.000 2.267 423 M HA -0.163 4.325 4.480 0.014 0.000 0.263 423 M C 1.191 177.521 176.300 0.050 0.000 1.063 423 M CA 1.752 57.077 55.300 0.043 0.000 1.090 423 M CB -0.487 32.130 32.600 0.029 0.000 1.392 423 M HN 0.375 nan 8.290 nan 0.000 0.422 424 N N -0.093 118.636 118.700 0.048 0.000 2.313 424 N HA -0.070 4.678 4.740 0.014 0.000 0.207 424 N C 1.111 176.611 175.510 -0.017 0.000 1.141 424 N CA 0.136 53.217 53.050 0.051 0.000 0.830 424 N CB -0.715 37.822 38.487 0.082 0.000 1.008 424 N HN 0.361 nan 8.380 nan 0.000 0.481 425 R N 0.457 120.933 120.500 -0.039 0.000 2.103 425 R HA -0.029 4.319 4.340 0.014 0.000 0.242 425 R C 1.397 177.608 176.300 -0.148 0.000 1.142 425 R CA 1.369 57.423 56.100 -0.078 0.000 0.960 425 R CB -0.043 30.212 30.300 -0.076 0.000 0.858 425 R HN 0.294 nan 8.270 nan 0.000 0.439 426 L N -0.611 120.464 121.223 -0.247 0.000 2.168 426 L HA -0.003 4.345 4.340 0.014 0.000 0.203 426 L C 2.488 179.220 176.870 -0.230 0.000 1.078 426 L CA 1.310 55.884 54.840 -0.443 0.000 0.780 426 L CB -0.524 40.995 42.059 -0.900 0.000 0.939 426 L HN 0.343 nan 8.230 nan 0.000 0.451 427 T N -4.379 110.075 114.554 -0.167 0.000 3.072 427 T HA -0.145 4.213 4.350 0.014 0.000 0.266 427 T C 1.289 175.909 174.700 -0.134 0.000 1.127 427 T CA 1.076 63.066 62.100 -0.183 0.000 1.107 427 T CB -0.211 68.501 68.868 -0.260 0.000 0.910 427 T HN 0.104 nan 8.240 nan 0.000 0.513 428 D N 1.157 121.514 120.400 -0.073 0.000 2.339 428 D HA 0.081 4.730 4.640 0.014 0.000 0.217 428 D C -0.113 176.172 176.300 -0.025 0.000 1.050 428 D CA -0.112 53.857 54.000 -0.053 0.000 0.856 428 D CB -0.120 40.656 40.800 -0.040 0.000 0.922 428 D HN 0.324 nan 8.370 nan 0.000 0.518 429 D N -0.113 120.287 120.400 0.001 0.000 2.317 429 D HA 0.099 4.747 4.640 0.014 0.000 0.234 429 D C -1.589 174.763 176.300 0.087 0.000 1.112 429 D CA -2.165 51.871 54.000 0.061 0.000 0.840 429 D CB 1.969 42.849 40.800 0.133 0.000 1.078 429 D HN -0.023 nan 8.370 nan 0.000 0.486 430 P HA -0.146 nan 4.420 nan 0.000 0.219 430 P C 0.943 178.250 177.300 0.012 0.000 1.146 430 P CA 0.887 63.998 63.100 0.018 0.000 0.808 430 P CB 0.291 31.990 31.700 -0.001 0.000 0.779 431 R N -1.887 118.629 120.500 0.026 0.000 2.237 431 R HA -0.071 4.277 4.340 0.014 0.000 0.219 431 R C 1.445 177.648 176.300 -0.163 0.000 1.080 431 R CA 1.060 57.117 56.100 -0.071 0.000 0.995 431 R CB -0.526 29.722 30.300 -0.088 0.000 0.875 431 R HN 0.330 nan 8.270 nan 0.000 0.462 432 W N -0.319 120.930 121.300 -0.086 0.000 3.132 432 W HA 0.158 4.827 4.660 0.013 0.000 0.364 432 W C 1.350 177.813 176.519 -0.093 0.000 1.129 432 W CA -0.579 56.714 57.345 -0.086 0.000 1.815 432 W CB 0.136 29.546 29.460 -0.084 0.000 1.099 432 W HN -0.005 nan 8.180 nan 0.000 0.605 433 L N 2.251 123.507 121.223 0.055 0.000 2.046 433 L HA -0.034 4.314 4.340 0.014 0.000 0.208 433 L C -0.700 176.139 176.870 -0.051 0.000 1.077 433 L CA 2.239 57.072 54.840 -0.012 0.000 0.747 433 L CB -1.647 40.394 42.059 -0.030 0.000 0.896 433 L HN -0.221 nan 8.230 nan 0.000 0.432 434 P HA -0.137 nan 4.420 nan 0.000 0.215 434 P C 1.621 178.867 177.300 -0.089 0.000 1.157 434 P CA 2.153 65.193 63.100 -0.101 0.000 0.868 434 P CB -0.213 31.417 31.700 -0.115 0.000 0.788 435 A N -1.077 121.704 122.820 -0.064 0.000 1.902 435 A HA -0.192 4.136 4.320 0.014 0.000 0.217 435 A C 2.236 179.834 177.584 0.024 0.000 1.181 435 A CA 1.897 53.928 52.037 -0.010 0.000 0.623 435 A CB -1.482 17.542 19.000 0.041 0.000 0.818 435 A HN 0.099 nan 8.150 nan 0.000 0.443 436 M N 0.234 119.860 119.600 0.043 0.000 2.086 436 M HA -0.163 4.326 4.480 0.014 0.000 0.261 436 M C 2.581 178.832 176.300 -0.083 0.000 1.067 436 M CA 1.826 57.128 55.300 0.003 0.000 1.116 436 M CB -0.427 32.157 32.600 -0.027 0.000 1.348 436 M HN 0.669 nan 8.290 nan 0.000 0.407 437 S N 0.191 115.812 115.700 -0.132 0.000 2.374 437 S HA -0.229 4.250 4.470 0.014 0.000 0.227 437 S C 1.661 176.090 174.600 -0.284 0.000 1.037 437 S CA 1.778 59.829 58.200 -0.247 0.000 1.024 437 S CB -0.598 62.434 63.200 -0.279 0.000 0.861 437 S HN 0.524 nan 8.310 nan 0.000 0.456 438 E N 0.760 120.844 120.200 -0.193 0.000 2.153 438 E HA -0.049 4.309 4.350 0.014 0.000 0.194 438 E C 2.411 178.923 176.600 -0.147 0.000 0.988 438 E CA 0.784 57.076 56.400 -0.181 0.000 0.811 438 E CB -0.036 29.592 29.700 -0.119 0.000 0.746 438 E HN 0.555 nan 8.360 nan 0.000 0.466 439 R N -0.426 120.018 120.500 -0.093 0.000 2.115 439 R HA -0.083 4.266 4.340 0.014 0.000 0.230 439 R C 2.156 178.413 176.300 -0.072 0.000 1.111 439 R CA 0.825 56.901 56.100 -0.040 0.000 0.976 439 R CB 0.052 30.369 30.300 0.028 0.000 0.870 439 R HN 0.046 nan 8.270 nan 0.000 0.445 440 V N 0.012 119.840 119.914 -0.143 0.000 2.374 440 V HA -0.171 3.957 4.120 0.014 0.000 0.241 440 V C 2.439 178.360 176.094 -0.288 0.000 1.034 440 V CA 2.056 64.253 62.300 -0.172 0.000 1.037 440 V CB -0.308 31.410 31.823 -0.175 0.000 0.682 440 V HN 0.525 nan 8.190 nan 0.000 0.463 441 T N -0.596 113.661 114.554 -0.494 0.000 2.746 441 T HA -0.254 4.104 4.350 0.014 0.000 0.267 441 T C 1.938 176.478 174.700 -0.267 0.000 1.039 441 T CA 1.490 63.206 62.100 -0.640 0.000 1.142 441 T CB -0.428 67.867 68.868 -0.956 0.000 0.866 441 T HN 0.399 nan 8.240 nan 0.000 0.444 442 R N 0.230 120.594 120.500 -0.227 0.000 2.148 442 R HA 0.197 4.545 4.340 0.014 0.000 0.227 442 R C 2.635 178.850 176.300 -0.142 0.000 1.103 442 R CA 1.345 57.349 56.100 -0.160 0.000 0.983 442 R CB -0.446 29.770 30.300 -0.140 0.000 0.874 442 R HN 0.495 nan 8.270 nan 0.000 0.451 443 M N 0.558 120.080 119.600 -0.131 0.000 2.099 443 M HA -0.129 4.360 4.480 0.014 0.000 0.262 443 M C 1.837 178.041 176.300 -0.160 0.000 1.067 443 M CA 1.598 56.845 55.300 -0.088 0.000 1.124 443 M CB 0.134 32.722 32.600 -0.019 0.000 1.353 443 M HN -0.031 nan 8.290 nan 0.000 0.410 444 V N 1.153 120.864 119.914 -0.339 0.000 2.343 444 V HA -0.296 3.833 4.120 0.014 0.000 0.247 444 V C 2.285 178.255 176.094 -0.206 0.000 1.051 444 V CA 2.029 64.006 62.300 -0.538 0.000 1.036 444 V CB -1.044 30.427 31.823 -0.586 0.000 0.654 444 V HN 0.588 nan 8.190 nan 0.000 0.451 445 Q N -0.540 119.177 119.800 -0.138 0.000 2.181 445 Q HA -0.246 4.102 4.340 0.014 0.000 0.205 445 Q C 2.479 178.378 176.000 -0.167 0.000 0.980 445 Q CA 1.715 57.444 55.803 -0.124 0.000 0.862 445 Q CB -0.211 28.478 28.738 -0.081 0.000 0.905 445 Q HN 0.550 nan 8.270 nan 0.000 0.429 446 R N 0.296 120.691 120.500 -0.174 0.000 2.080 446 R HA -0.091 4.258 4.340 0.014 0.000 0.222 446 R C 0.624 176.837 176.300 -0.145 0.000 1.107 446 R CA 1.309 57.281 56.100 -0.214 0.000 0.980 446 R CB 0.390 30.568 30.300 -0.203 0.000 0.879 446 R HN 0.152 nan 8.270 nan 0.000 0.439 447 D N -0.183 120.198 120.400 -0.031 0.000 2.369 447 D HA -0.018 4.630 4.640 0.014 0.000 0.211 447 D C 1.435 177.833 176.300 0.163 0.000 1.077 447 D CA 0.147 54.180 54.000 0.056 0.000 0.842 447 D CB 0.174 40.966 40.800 -0.014 0.000 0.947 447 D HN 0.357 nan 8.370 nan 0.000 0.509 448 R N 0.756 121.368 120.500 0.186 0.000 2.200 448 R HA -0.041 4.307 4.340 0.014 0.000 0.234 448 R C 0.736 177.025 176.300 -0.018 0.000 1.127 448 R CA 1.003 57.215 56.100 0.187 0.000 0.989 448 R CB -0.285 30.061 30.300 0.077 0.000 0.869 448 R HN -0.065 nan 8.270 nan 0.000 0.459 449 N N 0.214 118.830 118.700 -0.139 0.000 2.280 449 N HA 0.012 4.760 4.740 0.014 0.000 0.192 449 N C -0.552 174.811 175.510 -0.245 0.000 1.109 449 N CA 0.162 53.104 53.050 -0.181 0.000 0.855 449 N CB 0.108 38.462 38.487 -0.221 0.000 0.974 449 N HN 0.280 nan 8.380 nan 0.000 0.482 450 H N 1.474 120.476 119.070 -0.112 0.000 2.819 450 H HA 0.081 4.645 4.556 0.013 0.000 0.303 450 H C -1.182 173.990 175.328 -0.261 0.000 1.058 450 H CA -1.062 54.903 56.048 -0.139 0.000 1.471 450 H CB 1.415 31.131 29.762 -0.077 0.000 1.480 450 H HN 0.079 nan 8.280 nan 0.000 0.517 451 P HA -0.144 nan 4.420 nan 0.000 0.220 451 P C 1.435 178.254 177.300 -0.801 0.000 1.148 451 P CA 1.058 63.789 63.100 -0.615 0.000 0.803 451 P CB 0.268 31.374 31.700 -0.991 0.000 0.782 452 S N -0.685 114.650 115.700 -0.609 0.000 2.419 452 S HA -0.055 4.423 4.470 0.014 0.000 0.233 452 S C 1.132 175.693 174.600 -0.064 0.000 1.016 452 S CA 0.452 58.474 58.200 -0.297 0.000 0.974 452 S CB -1.568 61.624 63.200 -0.013 0.000 0.786 452 S HN -0.056 nan 8.310 nan 0.000 0.492 453 V N 3.681 123.531 119.914 -0.107 0.000 2.439 453 V HA 0.217 4.345 4.120 0.014 0.000 0.271 453 V C 1.164 177.111 176.094 -0.245 0.000 1.040 453 V CA 0.052 62.254 62.300 -0.162 0.000 1.002 453 V CB 0.367 32.001 31.823 -0.316 0.000 1.000 453 V HN 0.630 nan 8.190 nan 0.000 0.477 454 I N 2.735 123.215 120.570 -0.150 0.000 4.139 454 I HA 0.500 4.679 4.170 0.014 0.000 0.320 454 I C 0.427 176.427 176.117 -0.196 0.000 1.290 454 I CA 0.585 61.809 61.300 -0.127 0.000 1.253 454 I CB 0.526 38.530 38.000 0.007 0.000 1.122 454 I HN 0.328 nan 8.210 nan 0.000 0.421 455 I N 0.105 120.536 120.570 -0.231 0.000 2.722 455 I HA 0.355 4.533 4.170 0.014 0.000 0.295 455 I C -1.592 174.418 176.117 -0.178 0.000 1.161 455 I CA -0.416 60.788 61.300 -0.161 0.000 1.032 455 I CB 2.212 40.212 38.000 -0.001 0.000 1.244 455 I HN 0.033 nan 8.210 nan 0.000 0.421 456 W N 3.816 125.160 121.300 0.073 0.000 2.496 456 W HA 0.627 5.294 4.660 0.012 0.000 0.327 456 W C 0.340 176.920 176.519 0.101 0.000 1.086 456 W CA -0.626 56.768 57.345 0.082 0.000 1.222 456 W CB 1.759 31.262 29.460 0.071 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.601 118.532 115.700 0.386 0.000 2.500 457 S HA 0.384 4.863 4.470 0.014 0.000 0.301 457 S C 0.270 175.037 174.600 0.278 0.000 1.092 457 S CA -0.708 57.668 58.200 0.293 0.000 1.030 457 S CB 0.882 64.210 63.200 0.213 0.000 1.031 457 S HN 0.583 nan 8.310 nan 0.000 0.483 458 L N 3.964 125.344 121.223 0.261 0.000 2.622 458 L HA 0.306 4.654 4.340 0.014 0.000 0.233 458 L C 1.426 178.366 176.870 0.118 0.000 1.156 458 L CA 0.624 55.539 54.840 0.125 0.000 0.866 458 L CB -1.171 40.856 42.059 -0.053 0.000 0.980 458 L HN 1.000 nan 8.230 nan 0.000 0.448 459 G N -0.167 108.785 108.800 0.252 0.000 2.280 459 G HA2 -0.118 3.851 3.960 0.014 0.000 0.277 459 G HA3 -0.118 3.851 3.960 0.014 0.000 0.277 459 G C -1.666 173.428 174.900 0.324 0.000 1.288 459 G CA -0.531 44.721 45.100 0.252 0.000 1.075 459 G HN 0.167 nan 8.290 nan 0.000 0.480 460 N N -0.058 118.765 118.700 0.204 0.000 2.331 460 N HA 0.481 5.230 4.740 0.014 0.000 0.280 460 N C -0.403 175.055 175.510 -0.086 0.000 1.155 460 N CA 0.048 53.075 53.050 -0.037 0.000 0.822 460 N CB 1.682 39.882 38.487 -0.477 0.000 1.619 460 N HN 0.879 nan 8.380 nan 0.000 0.476 461 E N 0.557 120.608 120.200 -0.249 0.000 2.106 461 E HA -0.179 4.179 4.350 0.014 0.000 0.175 461 E C -0.814 175.698 176.600 -0.147 0.000 1.448 461 E CA 0.769 56.945 56.400 -0.374 0.000 0.672 461 E CB -1.210 28.028 29.700 -0.770 0.000 1.057 461 E HN 0.439 nan 8.360 nan 0.000 0.321 462 S N 0.055 115.812 115.700 0.095 0.000 2.941 462 S HA 0.388 4.866 4.470 0.014 0.000 0.251 462 S C 0.600 175.376 174.600 0.293 0.000 1.029 462 S CA -0.168 58.157 58.200 0.210 0.000 1.062 462 S CB 1.414 64.793 63.200 0.299 0.000 0.977 462 S HN 0.846 nan 8.310 nan 0.000 0.552 463 G N 1.984 110.885 108.800 0.168 0.000 2.641 463 G HA2 -0.270 3.698 3.960 0.014 0.000 0.254 463 G HA3 -0.270 3.698 3.960 0.014 0.000 0.254 463 G C -0.512 174.596 174.900 0.347 0.000 1.315 463 G CA -0.149 45.056 45.100 0.174 0.000 0.907 463 G HN 0.653 nan 8.290 nan 0.000 0.572 464 H N 0.347 119.538 119.070 0.202 0.000 2.800 464 H HA 0.568 5.132 4.556 0.014 0.000 0.322 464 H C 0.392 175.891 175.328 0.286 0.000 0.979 464 H CA -0.209 55.997 56.048 0.264 0.000 1.277 464 H CB 0.554 30.400 29.762 0.140 0.000 1.484 464 H HN 0.984 nan 8.280 nan 0.000 0.512 465 G N 1.590 110.561 108.800 0.285 0.000 2.537 465 G HA2 0.441 4.410 3.960 0.014 0.000 0.308 465 G HA3 0.441 4.410 3.960 0.014 0.000 0.308 465 G C 0.592 175.424 174.900 -0.114 0.000 1.237 465 G CA -0.159 44.918 45.100 -0.038 0.000 0.968 465 G HN 0.689 nan 8.290 nan 0.000 0.481 466 A N 0.530 123.279 122.820 -0.118 0.000 2.019 466 A HA -0.091 4.237 4.320 0.014 0.000 0.219 466 A C 2.121 179.691 177.584 -0.023 0.000 1.164 466 A CA 1.798 53.797 52.037 -0.062 0.000 0.644 466 A CB -0.404 18.571 19.000 -0.041 0.000 0.805 466 A HN 0.540 nan 8.150 nan 0.000 0.449 467 N N -0.199 118.452 118.700 -0.082 0.000 2.223 467 N HA -0.148 4.601 4.740 0.014 0.000 0.185 467 N C 1.355 176.806 175.510 -0.098 0.000 1.016 467 N CA 1.724 54.707 53.050 -0.111 0.000 0.863 467 N CB -0.645 37.737 38.487 -0.175 0.000 0.983 467 N HN 0.787 nan 8.380 nan 0.000 0.429 468 H N 0.085 119.153 119.070 -0.002 0.000 2.389 468 H HA 0.002 4.567 4.556 0.014 0.000 0.299 468 H C 1.231 176.629 175.328 0.116 0.000 1.081 468 H CA 1.154 57.206 56.048 0.007 0.000 1.345 468 H CB 0.180 29.961 29.762 0.031 0.000 1.393 468 H HN 0.165 nan 8.280 nan 0.000 0.520 469 D N 0.330 120.889 120.400 0.265 0.000 2.117 469 D HA -0.108 4.540 4.640 0.014 0.000 0.198 469 D C 2.302 178.750 176.300 0.245 0.000 0.982 469 D CA 1.147 55.295 54.000 0.248 0.000 0.828 469 D CB -0.374 40.535 40.800 0.181 0.000 0.967 469 D HN 0.412 nan 8.370 nan 0.000 0.464 470 A N 0.779 123.694 122.820 0.159 0.000 1.902 470 A HA -0.126 4.202 4.320 0.014 0.000 0.217 470 A C 2.403 180.095 177.584 0.179 0.000 1.181 470 A CA 0.978 53.100 52.037 0.143 0.000 0.623 470 A CB -0.749 18.293 19.000 0.070 0.000 0.818 470 A HN 0.208 nan 8.150 nan 0.000 0.443 471 L N -2.218 119.095 121.223 0.150 0.000 2.109 471 L HA -0.136 4.212 4.340 0.014 0.000 0.207 471 L C 2.556 179.569 176.870 0.239 0.000 1.086 471 L CA 1.453 56.386 54.840 0.156 0.000 0.760 471 L CB -0.688 41.394 42.059 0.037 0.000 0.910 471 L HN 0.594 nan 8.230 nan 0.000 0.437 472 Y N 1.359 121.741 120.300 0.137 0.000 2.128 472 Y HA -0.343 4.213 4.550 0.011 0.000 0.284 472 Y C 2.825 178.803 175.900 0.130 0.000 1.154 472 Y CA 1.865 60.046 58.100 0.136 0.000 1.149 472 Y CB -0.159 38.382 38.460 0.135 0.000 0.976 472 Y HN -0.027 nan 8.280 nan 0.000 0.505 473 R N -0.144 120.486 120.500 0.216 0.000 2.115 473 R HA -0.193 4.156 4.340 0.014 0.000 0.230 473 R C 2.011 178.320 176.300 0.016 0.000 1.111 473 R CA 1.848 57.997 56.100 0.082 0.000 0.976 473 R CB -1.457 28.960 30.300 0.196 0.000 0.870 473 R HN 0.654 nan 8.270 nan 0.000 0.445 474 W N 0.501 121.763 121.300 -0.063 0.000 2.354 474 W HA -0.123 4.546 4.660 0.015 0.000 0.315 474 W C 1.638 178.066 176.519 -0.150 0.000 1.206 474 W CA 1.951 59.243 57.345 -0.089 0.000 1.290 474 W CB -0.270 29.141 29.460 -0.081 0.000 1.152 474 W HN 0.054 nan 8.180 nan 0.000 0.489 475 I N 0.893 121.451 120.570 -0.019 0.000 2.179 475 I HA -0.353 3.825 4.170 0.014 0.000 0.242 475 I C 2.422 178.324 176.117 -0.359 0.000 1.088 475 I CA 1.400 62.526 61.300 -0.291 0.000 1.357 475 I CB -0.805 37.098 38.000 -0.161 0.000 1.051 475 I HN -0.077 nan 8.210 nan 0.000 0.409 476 K N 0.820 121.020 120.400 -0.333 0.000 2.103 476 K HA -0.112 4.216 4.320 0.014 0.000 0.207 476 K C 2.246 178.701 176.600 -0.242 0.000 1.048 476 K CA 1.403 57.518 56.287 -0.286 0.000 0.930 476 K CB -0.481 31.816 32.500 -0.339 0.000 0.716 476 K HN 0.291 nan 8.250 nan 0.000 0.444 477 S N 0.858 116.384 115.700 -0.291 0.000 2.357 477 S HA -0.065 4.413 4.470 0.014 0.000 0.221 477 S C 2.231 176.621 174.600 -0.351 0.000 1.031 477 S CA 0.972 59.007 58.200 -0.276 0.000 0.982 477 S CB -0.188 62.853 63.200 -0.265 0.000 0.853 477 S HN 0.005 nan 8.310 nan 0.000 0.458 478 V N 1.283 120.845 119.914 -0.587 0.000 2.548 478 V HA -0.007 4.121 4.120 0.014 0.000 0.249 478 V C 0.553 176.409 176.094 -0.397 0.000 1.055 478 V CA 1.329 63.251 62.300 -0.630 0.000 1.065 478 V CB -0.269 30.822 31.823 -1.221 0.000 0.681 478 V HN 0.403 nan 8.190 nan 0.000 0.462 479 D N -1.006 119.211 120.400 -0.306 0.000 2.472 479 D HA 0.216 4.865 4.640 0.014 0.000 0.248 479 D C -2.068 174.212 176.300 -0.034 0.000 1.271 479 D CA -1.554 52.376 54.000 -0.117 0.000 0.888 479 D CB 1.450 42.258 40.800 0.013 0.000 1.337 479 D HN 0.106 nan 8.370 nan 0.000 0.526 480 P HA -0.065 nan 4.420 nan 0.000 0.234 480 P C 1.130 178.442 177.300 0.019 0.000 1.167 480 P CA 0.474 63.559 63.100 -0.025 0.000 0.763 480 P CB 0.111 31.792 31.700 -0.031 0.000 0.835 481 S N -1.147 114.574 115.700 0.034 0.000 2.522 481 S HA 0.035 4.513 4.470 0.014 0.000 0.227 481 S C 0.857 175.478 174.600 0.034 0.000 0.986 481 S CA -0.151 58.074 58.200 0.041 0.000 0.929 481 S CB -0.395 62.824 63.200 0.030 0.000 0.769 481 S HN 0.109 nan 8.310 nan 0.000 0.529 482 R N 0.870 121.401 120.500 0.052 0.000 2.673 482 R HA 0.563 4.912 4.340 0.014 0.000 0.281 482 R C -3.237 173.107 176.300 0.073 0.000 0.991 482 R CA -2.198 53.901 56.100 -0.002 0.000 0.896 482 R CB 1.393 31.561 30.300 -0.220 0.000 1.201 482 R HN 0.124 nan 8.270 nan 0.000 0.457 483 P HA 0.098 nan 4.420 nan 0.000 0.272 483 P C -0.864 176.535 177.300 0.165 0.000 1.240 483 P CA -0.392 62.766 63.100 0.096 0.000 0.791 483 P CB 0.675 32.418 31.700 0.072 0.000 0.978 484 V N 2.043 122.083 119.914 0.210 0.000 2.540 484 V HA 0.405 4.533 4.120 0.014 0.000 0.302 484 V C 0.097 176.372 176.094 0.302 0.000 1.035 484 V CA -0.324 62.150 62.300 0.289 0.000 0.873 484 V CB 1.257 33.225 31.823 0.242 0.000 0.992 484 V HN 0.602 nan 8.190 nan 0.000 0.428 485 Q N 3.912 123.870 119.800 0.263 0.000 2.458 485 Q HA 0.830 5.178 4.340 0.014 0.000 0.282 485 Q C -1.824 174.332 176.000 0.261 0.000 1.106 485 Q CA -0.917 55.006 55.803 0.200 0.000 0.814 485 Q CB 3.027 31.829 28.738 0.106 0.000 1.425 485 Q HN 0.639 nan 8.270 nan 0.000 0.437 486 Y N -0.013 120.285 120.300 -0.004 0.000 2.409 486 Y HA 0.145 4.702 4.550 0.012 0.000 0.321 486 Y C -0.706 175.116 175.900 -0.128 0.000 1.209 486 Y CA -0.749 57.314 58.100 -0.062 0.000 1.086 486 Y CB 1.990 40.398 38.460 -0.087 0.000 1.320 486 Y HN 0.947 nan 8.280 nan 0.000 0.440 487 E N 3.275 122.960 120.200 -0.859 0.000 2.340 487 E HA 0.155 4.513 4.350 0.014 0.000 0.194 487 E C 0.651 176.793 176.600 -0.763 0.000 0.996 487 E CA 0.702 56.717 56.400 -0.642 0.000 0.869 487 E CB 0.293 29.750 29.700 -0.406 0.000 0.835 487 E HN 0.890 nan 8.360 nan 0.000 0.493 488 G N -0.068 107.876 108.800 -1.427 0.000 2.474 488 G HA2 0.224 4.192 3.960 0.014 0.000 0.233 488 G HA3 0.224 4.192 3.960 0.014 0.000 0.233 488 G C 0.818 175.541 174.900 -0.295 0.000 1.278 488 G CA 0.300 44.966 45.100 -0.723 0.000 0.861 488 G HN 0.335 nan 8.290 nan 0.000 0.567 489 G N -0.512 108.238 108.800 -0.083 0.000 2.160 489 G HA2 0.222 4.190 3.960 0.014 0.000 0.251 489 G HA3 0.222 4.190 3.960 0.014 0.000 0.251 489 G C 1.260 176.170 174.900 0.018 0.000 1.008 489 G CA 1.041 46.162 45.100 0.035 0.000 0.724 489 G HN 2.610 nan 8.290 nan 0.000 0.514 490 G N -1.688 107.110 108.800 -0.004 0.000 2.205 490 G HA2 0.440 4.408 3.960 0.014 0.000 0.180 490 G HA3 0.440 4.408 3.960 0.014 0.000 0.180 490 G C 1.040 176.057 174.900 0.195 0.000 1.004 490 G CA 1.281 46.447 45.100 0.110 0.000 0.670 490 G HN 2.325 nan 8.290 nan 0.000 0.496 491 A N -0.219 122.591 122.820 -0.017 0.000 3.413 491 A HA -0.116 4.213 4.320 0.014 0.000 0.268 491 A C 1.015 178.517 177.584 -0.138 0.000 1.128 491 A CA 2.635 54.596 52.037 -0.127 0.000 1.062 491 A CB -1.786 17.108 19.000 -0.178 0.000 1.121 491 A HN 2.100 nan 8.150 nan 0.000 0.895 492 D N -0.960 119.449 120.400 0.016 0.000 2.785 492 D HA 0.341 4.989 4.640 0.014 0.000 0.324 492 D C 0.351 176.653 176.300 0.003 0.000 1.523 492 D CA 0.741 54.758 54.000 0.027 0.000 0.789 492 D CB -1.083 39.877 40.800 0.267 0.000 1.171 492 D HN 0.797 nan 8.370 nan 0.000 0.447 493 T N -2.685 111.799 114.554 -0.115 0.000 2.732 493 T HA 0.239 4.598 4.350 0.014 0.000 0.287 493 T C 1.606 176.191 174.700 -0.192 0.000 0.993 493 T CA 0.325 62.305 62.100 -0.200 0.000 0.966 493 T CB 0.848 69.335 68.868 -0.634 0.000 1.047 493 T HN 0.078 nan 8.240 nan 0.000 0.527 494 T N -2.386 112.077 114.554 -0.152 0.000 3.155 494 T HA 0.185 4.543 4.350 0.014 0.000 0.264 494 T C 1.524 175.980 174.700 -0.406 0.000 1.160 494 T CA 0.321 62.322 62.100 -0.165 0.000 1.075 494 T CB -0.522 68.330 68.868 -0.026 0.000 0.921 494 T HN 0.829 nan 8.240 nan 0.000 0.533 495 A N 0.467 123.059 122.820 -0.380 0.000 2.460 495 A HA 0.507 4.836 4.320 0.014 0.000 0.258 495 A C 0.830 178.256 177.584 -0.264 0.000 1.300 495 A CA -0.278 51.511 52.037 -0.413 0.000 0.913 495 A CB 0.070 19.059 19.000 -0.018 0.000 1.031 495 A HN 0.424 nan 8.150 nan 0.000 0.512 496 T N -1.380 113.021 114.554 -0.255 0.000 2.971 496 T HA 0.348 4.706 4.350 0.014 0.000 0.304 496 T C -0.618 174.101 174.700 0.032 0.000 1.038 496 T CA -0.458 61.642 62.100 -0.001 0.000 1.007 496 T CB 1.181 70.036 68.868 -0.021 0.000 1.055 496 T HN 0.093 nan 8.240 nan 0.000 0.451 497 D N 3.037 123.541 120.400 0.173 0.000 2.347 497 D HA 0.241 4.889 4.640 0.014 0.000 0.213 497 D C 0.408 176.740 176.300 0.053 0.000 0.985 497 D CA 0.782 54.868 54.000 0.143 0.000 0.879 497 D CB 0.415 41.328 40.800 0.188 0.000 0.919 497 D HN 0.550 nan 8.370 nan 0.000 0.526 498 I N 0.817 121.397 120.570 0.016 0.000 2.582 498 I HA 0.253 4.431 4.170 0.014 0.000 0.292 498 I C -0.299 175.750 176.117 -0.115 0.000 1.066 498 I CA -0.929 60.346 61.300 -0.042 0.000 1.053 498 I CB 2.838 40.826 38.000 -0.021 0.000 1.241 498 I HN -0.358 nan 8.210 nan 0.000 0.421 499 I N 5.427 125.881 120.570 -0.193 0.000 2.452 499 I HA 0.078 4.257 4.170 0.014 0.000 0.287 499 I C 0.265 176.165 176.117 -0.363 0.000 1.079 499 I CA -0.029 61.054 61.300 -0.362 0.000 1.387 499 I CB 0.325 37.992 38.000 -0.554 0.000 1.404 499 I HN 0.683 nan 8.210 nan 0.000 0.522 500 C N 5.382 124.475 119.300 -0.345 0.000 3.290 500 C HA 0.468 4.936 4.460 0.014 0.000 0.206 500 C C -2.202 172.644 174.990 -0.240 0.000 1.639 500 C CA -2.228 56.645 59.018 -0.241 0.000 1.408 500 C CB -0.969 26.689 27.740 -0.135 0.000 2.197 500 C HN 0.420 nan 8.230 nan 0.000 0.508 501 P HA 0.276 nan 4.420 nan 0.000 0.272 501 P C -0.366 176.872 177.300 -0.104 0.000 1.240 501 P CA 0.405 63.396 63.100 -0.182 0.000 0.791 501 P CB 0.689 32.315 31.700 -0.125 0.000 0.978 502 M N 0.270 119.834 119.600 -0.059 0.000 2.167 502 M HA 0.439 4.927 4.480 0.014 0.000 0.333 502 M C -0.820 175.454 176.300 -0.043 0.000 1.030 502 M CA -0.673 54.488 55.300 -0.232 0.000 0.963 502 M CB 1.038 33.473 32.600 -0.275 0.000 1.589 502 M HN 0.343 nan 8.290 nan 0.000 0.431 503 Y N -0.269 120.203 120.300 0.287 0.000 4.490 503 Y HA -0.209 4.350 4.550 0.015 0.000 0.233 503 Y C 0.493 176.576 175.900 0.305 0.000 1.101 503 Y CA 0.404 58.682 58.100 0.297 0.000 2.010 503 Y CB -2.305 36.309 38.460 0.256 0.000 1.622 503 Y HN 0.973 nan 8.280 nan 0.000 0.675 504 A N 1.087 124.125 122.820 0.364 0.000 2.407 504 A HA 0.625 4.953 4.320 0.014 0.000 0.248 504 A C 0.726 178.548 177.584 0.396 0.000 1.082 504 A CA -0.438 51.824 52.037 0.375 0.000 0.785 504 A CB 0.445 19.706 19.000 0.435 0.000 1.020 504 A HN 0.419 nan 8.150 nan 0.000 0.489 505 R N 1.136 121.798 120.500 0.269 0.000 2.553 505 R HA 0.381 4.729 4.340 0.014 0.000 0.263 505 R C 0.961 177.243 176.300 -0.030 0.000 1.066 505 R CA -0.796 55.388 56.100 0.139 0.000 1.135 505 R CB 0.631 30.975 30.300 0.073 0.000 1.148 505 R HN 0.461 nan 8.270 nan 0.000 0.558 506 V N 0.567 120.304 119.914 -0.294 0.000 2.255 506 V HA -0.189 3.939 4.120 0.014 0.000 0.243 506 V C 0.925 176.909 176.094 -0.183 0.000 1.038 506 V CA 1.861 63.950 62.300 -0.352 0.000 1.008 506 V CB -0.239 31.239 31.823 -0.575 0.000 0.645 506 V HN 0.730 nan 8.190 nan 0.000 0.449 507 D N -1.407 118.914 120.400 -0.132 0.000 2.454 507 D HA 0.108 4.757 4.640 0.014 0.000 0.219 507 D C 0.877 177.163 176.300 -0.024 0.000 1.081 507 D CA 0.092 54.050 54.000 -0.070 0.000 0.867 507 D CB 0.666 41.428 40.800 -0.063 0.000 1.054 507 D HN 0.479 nan 8.370 nan 0.000 0.500 508 E N 1.763 121.954 120.200 -0.016 0.000 2.174 508 E HA 0.115 4.474 4.350 0.014 0.000 0.282 508 E C -0.813 175.790 176.600 0.006 0.000 0.992 508 E CA -0.622 55.777 56.400 -0.002 0.000 0.803 508 E CB 0.963 30.663 29.700 -0.000 0.000 1.090 508 E HN -0.182 nan 8.360 nan 0.000 0.396 509 D N 3.552 123.956 120.400 0.008 0.000 2.339 509 D HA 0.118 4.767 4.640 0.014 0.000 0.245 509 D C -0.534 175.661 176.300 -0.176 0.000 1.115 509 D CA 0.224 54.220 54.000 -0.005 0.000 0.917 509 D CB 1.135 42.006 40.800 0.119 0.000 1.192 509 D HN 0.419 nan 8.370 nan 0.000 0.428 510 Q N 1.360 120.929 119.800 -0.386 0.000 2.932 510 Q HA 0.228 4.577 4.340 0.014 0.000 0.248 510 Q C -2.244 173.112 176.000 -1.074 0.000 0.982 510 Q CA -1.452 53.904 55.803 -0.745 0.000 0.730 510 Q CB 2.381 30.665 28.738 -0.758 0.000 1.249 510 Q HN 0.198 nan 8.270 nan 0.000 0.476 511 P HA 0.005 nan 4.420 nan 0.000 0.226 511 P C -0.714 176.296 177.300 -0.484 0.000 1.783 511 P CA -0.043 62.654 63.100 -0.671 0.000 0.980 511 P CB -0.576 30.946 31.700 -0.296 0.000 1.967 512 F N 2.300 122.081 119.950 -0.282 0.000 2.518 512 F HA 0.199 4.734 4.527 0.013 0.000 0.359 512 F C -1.206 174.493 175.800 -0.169 0.000 1.118 512 F CA -2.509 55.385 58.000 -0.178 0.000 1.287 512 F CB -0.427 38.485 39.000 -0.148 0.000 1.132 512 F HN 0.068 nan 8.300 nan 0.000 0.587 513 P HA 0.081 nan 4.420 nan 0.000 0.265 513 P C 0.333 177.655 177.300 0.036 0.000 1.193 513 P CA 0.996 64.120 63.100 0.039 0.000 0.765 513 P CB 1.085 32.806 31.700 0.034 0.000 0.823 514 A N 2.942 125.776 122.820 0.023 0.000 2.617 514 A HA -0.250 4.078 4.320 0.014 0.000 0.236 514 A C 0.761 178.360 177.584 0.026 0.000 0.551 514 A CA 1.928 53.983 52.037 0.030 0.000 1.144 514 A CB -2.689 16.328 19.000 0.029 0.000 1.384 514 A HN 0.702 nan 8.150 nan 0.000 0.694 515 V N -2.721 117.204 119.914 0.018 0.000 2.572 515 V HA 0.562 4.690 4.120 0.014 0.000 0.274 515 V C -2.307 173.787 176.094 -0.000 0.000 1.075 515 V CA -1.262 61.050 62.300 0.019 0.000 1.237 515 V CB 0.492 32.328 31.823 0.022 0.000 1.517 515 V HN 0.511 nan 8.190 nan 0.000 0.616 516 P HA 0.272 nan 4.420 nan 0.000 0.272 516 P C -0.634 176.279 177.300 -0.644 0.000 1.230 516 P CA 0.086 62.837 63.100 -0.583 0.000 0.788 516 P CB 0.994 31.850 31.700 -1.407 0.000 0.949 517 K N 2.118 122.191 120.400 -0.546 0.000 2.419 517 K HA 0.218 4.546 4.320 0.014 0.000 0.244 517 K C -0.436 175.896 176.600 -0.446 0.000 1.045 517 K CA -0.275 55.867 56.287 -0.242 0.000 1.004 517 K CB 0.402 33.015 32.500 0.188 0.000 1.376 517 K HN 0.462 nan 8.250 nan 0.000 0.460 518 W N 1.400 122.415 121.300 -0.476 0.000 2.126 518 W HA 0.045 4.715 4.660 0.017 0.000 0.346 518 W C 1.327 177.850 176.519 0.008 0.000 1.279 518 W CA -0.467 56.672 57.345 -0.343 0.000 1.259 518 W CB 0.496 29.577 29.460 -0.631 0.000 1.133 518 W HN 0.382 nan 8.180 nan 0.000 0.592 519 S N 3.136 118.993 115.700 0.261 0.000 2.558 519 S HA -0.072 4.407 4.470 0.014 0.000 0.293 519 S C 1.152 175.900 174.600 0.246 0.000 1.292 519 S CA -0.196 58.102 58.200 0.165 0.000 1.063 519 S CB 0.163 63.409 63.200 0.077 0.000 0.831 519 S HN 0.511 nan 8.310 nan 0.000 0.499 520 I N 2.139 122.822 120.570 0.189 0.000 2.361 520 I HA -0.125 4.053 4.170 0.014 0.000 0.251 520 I C 2.034 178.182 176.117 0.053 0.000 1.133 520 I CA 1.161 62.578 61.300 0.194 0.000 1.413 520 I CB -0.406 37.659 38.000 0.109 0.000 1.073 520 I HN 0.603 nan 8.210 nan 0.000 0.424 521 K N 1.585 121.914 120.400 -0.117 0.000 2.057 521 K HA -0.164 4.164 4.320 0.014 0.000 0.206 521 K C 2.289 178.874 176.600 -0.024 0.000 1.050 521 K CA 1.675 57.794 56.287 -0.279 0.000 0.935 521 K CB -0.185 32.072 32.500 -0.404 0.000 0.715 521 K HN 0.381 nan 8.250 nan 0.000 0.439 522 K N 0.162 120.578 120.400 0.026 0.000 2.103 522 K HA -0.157 4.171 4.320 0.014 0.000 0.204 522 K C 1.914 178.539 176.600 0.042 0.000 1.052 522 K CA 0.719 57.009 56.287 0.006 0.000 0.945 522 K CB -0.049 32.419 32.500 -0.052 0.000 0.722 522 K HN 0.204 nan 8.250 nan 0.000 0.443 523 W N 2.176 123.472 121.300 -0.007 0.000 2.338 523 W HA -0.191 4.474 4.660 0.009 0.000 0.304 523 W C 1.557 178.067 176.519 -0.016 0.000 1.212 523 W CA 1.108 58.464 57.345 0.018 0.000 1.264 523 W CB -0.626 28.918 29.460 0.141 0.000 1.142 523 W HN 0.087 nan 8.180 nan 0.000 0.512 524 L N 0.823 122.220 121.223 0.289 0.000 2.043 524 L HA -0.264 4.085 4.340 0.014 0.000 0.212 524 L C 2.275 179.221 176.870 0.126 0.000 1.075 524 L CA 2.138 57.079 54.840 0.168 0.000 0.752 524 L CB -1.072 41.070 42.059 0.138 0.000 0.891 524 L HN 0.002 nan 8.230 nan 0.000 0.432 525 S N -1.364 114.392 115.700 0.093 0.000 2.597 525 S HA 0.239 4.718 4.470 0.014 0.000 0.224 525 S C 0.565 175.157 174.600 -0.014 0.000 0.955 525 S CA -0.510 57.715 58.200 0.042 0.000 0.933 525 S CB -0.461 62.762 63.200 0.039 0.000 0.788 525 S HN 0.156 nan 8.310 nan 0.000 0.488 526 L N 2.061 123.266 121.223 -0.029 0.000 2.506 526 L HA 0.218 4.567 4.340 0.014 0.000 0.281 526 L C -2.180 174.661 176.870 -0.049 0.000 1.228 526 L CA -1.733 53.042 54.840 -0.108 0.000 0.850 526 L CB -0.209 41.765 42.059 -0.142 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.045 nan 4.420 nan 0.000 0.260 527 P C 0.691 177.987 177.300 -0.006 0.000 1.172 527 P CA 1.013 64.092 63.100 -0.035 0.000 0.760 527 P CB 0.432 32.105 31.700 -0.045 0.000 0.773 528 G N 1.692 110.496 108.800 0.005 0.000 2.189 528 G HA2 -0.286 3.683 3.960 0.014 0.000 0.267 528 G HA3 -0.286 3.683 3.960 0.014 0.000 0.267 528 G C 0.233 175.153 174.900 0.034 0.000 0.975 528 G CA 0.192 45.303 45.100 0.019 0.000 0.644 528 G HN 0.614 nan 8.290 nan 0.000 0.537 529 E N 0.692 120.918 120.200 0.044 0.000 2.283 529 E HA 0.633 4.991 4.350 0.014 0.000 0.278 529 E C 1.305 177.937 176.600 0.052 0.000 1.027 529 E CA 0.441 56.881 56.400 0.067 0.000 0.843 529 E CB 0.833 30.601 29.700 0.114 0.000 1.062 529 E HN 0.493 nan 8.360 nan 0.000 0.401 530 T N 0.482 115.062 114.554 0.044 0.000 3.130 530 T HA 0.342 4.701 4.350 0.014 0.000 0.288 530 T C 0.536 175.251 174.700 0.024 0.000 0.936 530 T CA -0.469 61.651 62.100 0.033 0.000 0.897 530 T CB 0.064 68.950 68.868 0.030 0.000 1.178 530 T HN 0.252 nan 8.240 nan 0.000 0.543 531 R N 2.294 122.804 120.500 0.017 0.000 2.637 531 R HA 0.466 4.814 4.340 0.014 0.000 0.269 531 R C -2.541 173.745 176.300 -0.024 0.000 1.089 531 R CA -1.801 54.297 56.100 -0.004 0.000 1.177 531 R CB 0.029 30.318 30.300 -0.019 0.000 1.091 531 R HN 0.218 nan 8.270 nan 0.000 0.540 532 P HA 0.096 nan 4.420 nan 0.000 0.274 532 P C -1.074 176.162 177.300 -0.106 0.000 1.237 532 P CA -0.135 62.930 63.100 -0.059 0.000 0.793 532 P CB 0.677 32.343 31.700 -0.057 0.000 0.977 533 L N 2.393 123.536 121.223 -0.134 0.000 2.376 533 L HA 0.577 4.925 4.340 0.014 0.000 0.275 533 L C -1.056 175.679 176.870 -0.225 0.000 0.987 533 L CA -0.655 54.067 54.840 -0.197 0.000 0.828 533 L CB 0.698 42.640 42.059 -0.195 0.000 1.249 533 L HN 0.231 nan 8.230 nan 0.000 0.409 534 I N 5.611 126.050 120.570 -0.218 0.000 2.500 534 I HA 0.264 4.443 4.170 0.014 0.000 0.286 534 I C -0.774 175.248 176.117 -0.159 0.000 1.063 534 I CA -0.570 60.585 61.300 -0.242 0.000 1.062 534 I CB 1.990 39.905 38.000 -0.141 0.000 1.223 534 I HN 0.464 nan 8.210 nan 0.000 0.435 535 L N 5.580 126.679 121.223 -0.207 0.000 2.455 535 L HA 0.041 4.389 4.340 0.014 0.000 0.272 535 L C 1.474 178.412 176.870 0.113 0.000 1.174 535 L CA -0.116 54.672 54.840 -0.087 0.000 0.869 535 L CB 0.627 42.617 42.059 -0.114 0.000 1.130 535 L HN 0.861 nan 8.230 nan 0.000 0.474 536 C N 0.088 119.432 119.300 0.073 0.000 2.464 536 C HA 0.152 4.621 4.460 0.014 0.000 0.278 536 C C 0.629 175.755 174.990 0.227 0.000 1.375 536 C CA -0.165 58.939 59.018 0.143 0.000 1.761 536 C CB -0.995 26.744 27.740 -0.003 0.000 1.944 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.785 119.477 120.200 0.103 0.000 2.321 537 E HA 0.626 4.984 4.350 0.014 0.000 0.278 537 E C -1.383 175.174 176.600 -0.072 0.000 0.902 537 E CA -0.422 56.039 56.400 0.102 0.000 0.758 537 E CB 2.054 31.634 29.700 -0.201 0.000 1.213 537 E HN 0.687 nan 8.360 nan 0.000 0.426 538 Y N -1.335 118.958 120.300 -0.013 0.000 2.725 538 Y HA 0.625 5.185 4.550 0.016 0.000 0.333 538 Y C -0.678 175.401 175.900 0.299 0.000 1.242 538 Y CA -0.936 57.172 58.100 0.014 0.000 1.059 538 Y CB 0.878 39.192 38.460 -0.243 0.000 1.306 538 Y HN 0.652 nan 8.280 nan 0.000 0.454 539 A N 1.781 124.662 122.820 0.103 0.000 2.416 539 A HA -0.264 4.064 4.320 0.014 0.000 0.293 539 A C -0.374 177.317 177.584 0.178 0.000 1.452 539 A CA 1.058 53.132 52.037 0.062 0.000 0.738 539 A CB -2.506 16.409 19.000 -0.142 0.000 1.123 539 A HN 1.049 nan 8.150 nan 0.000 0.389 540 H N 0.605 119.824 119.070 0.249 0.000 3.191 540 H HA 0.250 4.814 4.556 0.014 0.000 0.261 540 H C 1.149 176.533 175.328 0.094 0.000 1.013 540 H CA 0.915 57.110 56.048 0.244 0.000 1.457 540 H CB 0.427 30.224 29.762 0.059 0.000 1.535 540 H HN 0.778 nan 8.280 nan 0.000 0.518 541 A N 6.445 129.137 122.820 -0.213 0.000 2.648 541 A HA 0.050 4.378 4.320 0.014 0.000 0.269 541 A C 0.988 178.409 177.584 -0.272 0.000 1.392 541 A CA -0.417 51.478 52.037 -0.235 0.000 1.019 541 A CB -0.600 18.238 19.000 -0.271 0.000 1.009 541 A HN 0.803 nan 8.150 nan 0.000 0.565 542 M N 1.386 120.827 119.600 -0.265 0.000 2.220 542 M HA 0.421 4.909 4.480 0.014 0.000 0.343 542 M C 1.028 177.227 176.300 -0.169 0.000 1.470 542 M CA 1.282 56.471 55.300 -0.186 0.000 1.161 542 M CB -0.372 32.229 32.600 0.002 0.000 1.737 542 M HN 0.792 nan 8.290 nan 0.000 0.464 543 G N 4.349 113.030 108.800 -0.198 0.000 2.574 543 G HA2 -0.350 3.619 3.960 0.014 0.000 0.286 543 G HA3 -0.350 3.619 3.960 0.014 0.000 0.286 543 G C -0.193 174.252 174.900 -0.758 0.000 1.212 543 G CA 0.104 44.924 45.100 -0.466 0.000 0.979 543 G HN 0.852 nan 8.290 nan 0.000 0.557 544 N N 1.301 119.380 118.700 -1.036 0.000 2.421 544 N HA 0.492 5.241 4.740 0.014 0.000 0.260 544 N C 0.016 175.301 175.510 -0.375 0.000 1.173 544 N CA 1.121 53.724 53.050 -0.745 0.000 0.960 544 N CB 0.521 38.604 38.487 -0.674 0.000 1.273 544 N HN 0.836 nan 8.380 nan 0.000 0.497 545 S N 2.191 117.752 115.700 -0.231 0.000 2.973 545 S HA 0.602 5.080 4.470 0.014 0.000 0.317 545 S C -0.238 174.303 174.600 -0.099 0.000 1.196 545 S CA -0.361 57.750 58.200 -0.149 0.000 0.894 545 S CB 0.099 63.227 63.200 -0.120 0.000 1.292 545 S HN 0.374 nan 8.310 nan 0.000 0.614 546 L N 0.103 121.294 121.223 -0.054 0.000 4.639 546 L HA -0.047 4.301 4.340 0.014 0.000 0.402 546 L C 0.493 177.404 176.870 0.069 0.000 1.069 546 L CA 0.905 55.733 54.840 -0.020 0.000 1.105 546 L CB -1.738 40.218 42.059 -0.171 0.000 2.122 546 L HN 0.739 nan 8.230 nan 0.000 0.662 547 G N -0.902 107.913 108.800 0.024 0.000 2.398 547 G HA2 0.480 4.449 3.960 0.014 0.000 0.246 547 G HA3 0.480 4.449 3.960 0.014 0.000 0.246 547 G C 1.233 176.183 174.900 0.084 0.000 1.289 547 G CA 0.156 45.251 45.100 -0.008 0.000 0.869 547 G HN 1.379 nan 8.290 nan 0.000 0.543 548 G N 1.450 110.290 108.800 0.067 0.000 2.176 548 G HA2 -0.322 3.646 3.960 0.014 0.000 0.253 548 G HA3 -0.322 3.646 3.960 0.014 0.000 0.253 548 G C 1.045 176.136 174.900 0.319 0.000 0.979 548 G CA 0.786 45.984 45.100 0.164 0.000 0.641 548 G HN 0.754 nan 8.290 nan 0.000 0.530 549 F N 1.936 122.009 119.950 0.205 0.000 2.126 549 F HA 0.141 4.677 4.527 0.015 0.000 0.299 549 F C 2.709 178.716 175.800 0.345 0.000 1.096 549 F CA 2.439 60.631 58.000 0.319 0.000 1.255 549 F CB -0.505 38.623 39.000 0.214 0.000 0.997 549 F HN 0.352 nan 8.300 nan 0.000 0.479 550 A N -0.390 122.595 122.820 0.274 0.000 2.024 550 A HA -0.248 4.081 4.320 0.014 0.000 0.220 550 A C 2.295 179.896 177.584 0.030 0.000 1.164 550 A CA 1.748 53.875 52.037 0.150 0.000 0.643 550 A CB -0.827 18.267 19.000 0.156 0.000 0.806 550 A HN 0.453 nan 8.150 nan 0.000 0.451 551 K N -1.611 118.792 120.400 0.004 0.000 2.097 551 K HA -0.173 4.155 4.320 0.014 0.000 0.206 551 K C 1.674 178.045 176.600 -0.381 0.000 1.049 551 K CA 1.596 57.799 56.287 -0.140 0.000 0.933 551 K CB -0.290 32.137 32.500 -0.122 0.000 0.717 551 K HN 0.604 nan 8.250 nan 0.000 0.442 552 Y N -0.855 119.175 120.300 -0.450 0.000 2.133 552 Y HA -0.235 4.323 4.550 0.013 0.000 0.287 552 Y C 2.029 176.972 175.900 -1.595 0.000 1.134 552 Y CA 1.492 58.966 58.100 -1.043 0.000 1.133 552 Y CB -0.332 37.548 38.460 -0.966 0.000 0.987 552 Y HN 0.156 nan 8.280 nan 0.000 0.502 553 W N 0.176 121.051 121.300 -0.709 0.000 2.338 553 W HA -0.236 4.434 4.660 0.016 0.000 0.304 553 W C 2.635 178.977 176.519 -0.295 0.000 1.212 553 W CA 1.650 58.706 57.345 -0.482 0.000 1.264 553 W CB -0.744 28.515 29.460 -0.334 0.000 1.142 553 W HN 0.075 nan 8.180 nan 0.000 0.512 554 Q N 0.810 120.510 119.800 -0.167 0.000 2.096 554 Q HA -0.189 4.160 4.340 0.014 0.000 0.204 554 Q C 2.181 178.114 176.000 -0.111 0.000 0.982 554 Q CA 2.208 57.958 55.803 -0.088 0.000 0.850 554 Q CB -0.687 28.019 28.738 -0.054 0.000 0.901 554 Q HN 0.276 nan 8.270 nan 0.000 0.422 555 A N -0.087 122.575 122.820 -0.263 0.000 1.898 555 A HA -0.100 4.228 4.320 0.014 0.000 0.216 555 A C 2.068 179.627 177.584 -0.042 0.000 1.181 555 A CA 1.084 53.006 52.037 -0.192 0.000 0.620 555 A CB -1.047 17.721 19.000 -0.386 0.000 0.819 555 A HN 0.474 nan 8.150 nan 0.000 0.442 556 F N -0.368 119.406 119.950 -0.292 0.000 2.161 556 F HA -0.205 4.330 4.527 0.014 0.000 0.300 556 F C 2.760 178.466 175.800 -0.158 0.000 1.089 556 F CA 1.069 58.871 58.000 -0.329 0.000 1.282 556 F CB -0.168 38.406 39.000 -0.710 0.000 1.010 556 F HN 0.156 nan 8.300 nan 0.000 0.485 557 R N 0.047 120.596 120.500 0.080 0.000 2.090 557 R HA -0.161 4.187 4.340 0.014 0.000 0.228 557 R C 2.137 178.469 176.300 0.053 0.000 1.110 557 R CA 1.149 57.284 56.100 0.058 0.000 0.973 557 R CB -0.402 29.927 30.300 0.048 0.000 0.869 557 R HN 0.377 nan 8.270 nan 0.000 0.440 558 Q N -0.335 119.522 119.800 0.095 0.000 2.137 558 Q HA -0.068 4.280 4.340 0.014 0.000 0.198 558 Q C -0.412 175.609 176.000 0.036 0.000 0.960 558 Q CA 0.996 56.848 55.803 0.081 0.000 0.847 558 Q CB 0.347 29.174 28.738 0.148 0.000 0.915 558 Q HN 0.186 nan 8.270 nan 0.000 0.448 559 Y N 0.133 120.417 120.300 -0.026 0.000 2.385 559 Y HA 0.250 4.807 4.550 0.012 0.000 0.341 559 Y C -1.783 174.096 175.900 -0.035 0.000 0.965 559 Y CA -2.747 55.338 58.100 -0.024 0.000 1.180 559 Y CB 1.431 39.882 38.460 -0.015 0.000 1.139 559 Y HN 0.139 nan 8.280 nan 0.000 0.502 560 P HA -0.184 nan 4.420 nan 0.000 0.215 560 P C 1.159 178.467 177.300 0.014 0.000 1.157 560 P CA 1.897 65.001 63.100 0.007 0.000 0.874 560 P CB 0.300 31.989 31.700 -0.019 0.000 0.790 561 R N -1.147 119.381 120.500 0.046 0.000 2.285 561 R HA 0.037 4.385 4.340 0.014 0.000 0.213 561 R C 0.499 176.791 176.300 -0.013 0.000 1.068 561 R CA 0.273 56.385 56.100 0.020 0.000 1.004 561 R CB -0.622 29.698 30.300 0.032 0.000 0.873 561 R HN 0.246 nan 8.270 nan 0.000 0.467 562 L N 1.922 123.158 121.223 0.021 0.000 2.312 562 L HA 0.116 4.464 4.340 0.014 0.000 0.287 562 L C 0.491 177.232 176.870 -0.215 0.000 1.091 562 L CA 0.150 54.951 54.840 -0.065 0.000 0.846 562 L CB 1.104 43.191 42.059 0.047 0.000 1.219 562 L HN 0.085 nan 8.230 nan 0.000 0.439 563 Q N 2.999 122.598 119.800 -0.335 0.000 2.211 563 Q HA 0.320 4.669 4.340 0.014 0.000 0.231 563 Q C 0.821 176.420 176.000 -0.669 0.000 0.865 563 Q CA 0.077 55.647 55.803 -0.388 0.000 0.997 563 Q CB 1.005 29.602 28.738 -0.234 0.000 1.101 563 Q HN 0.959 nan 8.270 nan 0.000 0.468 564 G N -0.285 107.721 108.800 -1.322 0.000 2.445 564 G HA2 0.085 4.053 3.960 0.014 0.000 0.212 564 G HA3 0.085 4.053 3.960 0.014 0.000 0.212 564 G C -0.244 173.773 174.900 -1.473 0.000 1.217 564 G CA -0.729 43.194 45.100 -1.961 0.000 1.002 564 G HN 0.622 nan 8.290 nan 0.000 0.574 565 G N -2.250 105.995 108.800 -0.924 0.000 2.322 565 G HA2 0.634 4.603 3.960 0.014 0.000 0.295 565 G HA3 0.634 4.603 3.960 0.014 0.000 0.295 565 G C -1.815 173.013 174.900 -0.120 0.000 1.369 565 G CA -0.241 44.546 45.100 -0.522 0.000 0.821 565 G HN 1.164 nan 8.290 nan 0.000 0.536 566 F N 0.576 120.759 119.950 0.388 0.000 2.427 566 F HA 0.535 5.070 4.527 0.012 0.000 0.348 566 F C 0.781 176.905 175.800 0.540 0.000 1.125 566 F CA -0.767 57.506 58.000 0.456 0.000 0.989 566 F CB 2.096 41.252 39.000 0.260 0.000 1.165 566 F HN 0.259 nan 8.300 nan 0.000 0.442 567 V N 3.395 123.648 119.914 0.565 0.000 2.872 567 V HA -0.127 4.001 4.120 0.014 0.000 0.307 567 V C -0.290 175.962 176.094 0.263 0.000 1.072 567 V CA -0.242 62.171 62.300 0.188 0.000 1.148 567 V CB 0.784 32.713 31.823 0.177 0.000 0.954 567 V HN 0.760 nan 8.190 nan 0.000 0.490 568 W N 6.547 127.918 121.300 0.118 0.000 2.296 568 W HA 0.474 5.142 4.660 0.013 0.000 0.316 568 W C -0.861 175.636 176.519 -0.036 0.000 1.022 568 W CA -0.657 56.781 57.345 0.154 0.000 1.324 568 W CB 1.341 31.067 29.460 0.443 0.000 1.227 568 W HN 0.911 nan 8.180 nan 0.000 0.409 569 D N 2.923 122.988 120.400 -0.559 0.000 2.825 569 D HA 0.089 4.737 4.640 0.014 0.000 0.327 569 D C 0.636 176.674 176.300 -0.436 0.000 1.277 569 D CA -0.550 53.003 54.000 -0.745 0.000 0.950 569 D CB 0.209 39.964 40.800 -1.741 0.000 1.438 569 D HN 0.399 nan 8.370 nan 0.000 0.526 570 W N 0.524 121.489 121.300 -0.558 0.000 2.381 570 W HA 0.110 4.778 4.660 0.014 0.000 0.321 570 W C -0.039 176.244 176.519 -0.394 0.000 1.196 570 W CA 1.315 58.395 57.345 -0.442 0.000 1.304 570 W CB 0.238 29.465 29.460 -0.388 0.000 1.166 570 W HN 0.158 nan 8.180 nan 0.000 0.473 571 V N 2.433 122.079 119.914 -0.447 0.000 2.735 571 V HA 0.242 4.371 4.120 0.014 0.000 0.310 571 V C -0.903 174.976 176.094 -0.359 0.000 1.061 571 V CA -0.758 61.251 62.300 -0.485 0.000 0.913 571 V CB 1.574 33.237 31.823 -0.266 0.000 1.005 571 V HN -0.105 nan 8.190 nan 0.000 0.428 572 D N 3.770 123.968 120.400 -0.336 0.000 2.458 572 D HA 0.149 4.797 4.640 0.014 0.000 0.243 572 D C 0.245 176.373 176.300 -0.288 0.000 1.146 572 D CA 0.597 54.445 54.000 -0.253 0.000 0.877 572 D CB 0.992 41.742 40.800 -0.084 0.000 1.176 572 D HN 0.596 nan 8.370 nan 0.000 0.461 573 Q N 1.195 120.751 119.800 -0.407 0.000 3.122 573 Q HA 0.135 4.484 4.340 0.014 0.000 0.360 573 Q C -0.107 175.812 176.000 -0.135 0.000 1.300 573 Q CA -0.355 55.001 55.803 -0.745 0.000 0.982 573 Q CB 0.096 28.471 28.738 -0.605 0.000 1.534 573 Q HN 0.366 nan 8.270 nan 0.000 0.474 574 S N -0.319 115.414 115.700 0.055 0.000 2.616 574 S HA 0.617 5.095 4.470 0.014 0.000 0.277 574 S C -0.121 174.645 174.600 0.277 0.000 1.234 574 S CA -0.779 57.581 58.200 0.266 0.000 1.028 574 S CB 1.444 64.792 63.200 0.245 0.000 0.988 574 S HN 0.334 nan 8.310 nan 0.000 0.522 575 L N 1.723 123.053 121.223 0.178 0.000 2.342 575 L HA 0.513 4.861 4.340 0.014 0.000 0.271 575 L C -0.537 176.260 176.870 -0.122 0.000 1.008 575 L CA -1.240 53.590 54.840 -0.017 0.000 0.818 575 L CB 1.488 43.416 42.059 -0.218 0.000 1.296 575 L HN 0.558 nan 8.230 nan 0.000 0.427 576 I N 2.408 122.849 120.570 -0.215 0.000 2.474 576 I HA 0.264 4.442 4.170 0.014 0.000 0.287 576 I C 0.221 175.975 176.117 -0.605 0.000 1.048 576 I CA -0.047 60.990 61.300 -0.438 0.000 1.383 576 I CB 0.938 38.697 38.000 -0.402 0.000 1.412 576 I HN 0.565 nan 8.210 nan 0.000 0.531 577 K N 5.229 124.978 120.400 -1.085 0.000 2.352 577 K HA 0.611 4.939 4.320 0.014 0.000 0.240 577 K C -1.584 174.184 176.600 -1.387 0.000 1.017 577 K CA -0.708 54.829 56.287 -1.249 0.000 0.851 577 K CB 2.240 33.709 32.500 -1.719 0.000 1.261 577 K HN 0.250 nan 8.250 nan 0.000 0.451 578 Y N 0.592 120.617 120.300 -0.458 0.000 2.442 578 Y HA 0.153 4.712 4.550 0.014 0.000 0.344 578 Y C -0.223 175.755 175.900 0.130 0.000 0.976 578 Y CA -1.199 56.833 58.100 -0.114 0.000 1.040 578 Y CB 1.466 39.881 38.460 -0.076 0.000 1.228 578 Y HN 0.668 nan 8.280 nan 0.000 0.451 579 D N -0.062 120.570 120.400 0.387 0.000 2.423 579 D HA 0.105 4.753 4.640 0.014 0.000 0.255 579 D C 1.035 177.441 176.300 0.175 0.000 1.174 579 D CA -0.451 53.723 54.000 0.291 0.000 1.008 579 D CB 0.759 41.679 40.800 0.199 0.000 1.101 579 D HN 0.432 nan 8.370 nan 0.000 0.516 580 E N -0.240 120.026 120.200 0.111 0.000 2.197 580 E HA -0.267 4.091 4.350 0.014 0.000 0.205 580 E C 0.998 177.635 176.600 0.061 0.000 1.029 580 E CA 1.621 58.062 56.400 0.068 0.000 0.828 580 E CB -0.418 29.307 29.700 0.040 0.000 0.737 580 E HN 0.509 nan 8.360 nan 0.000 0.464 581 N N -1.209 117.535 118.700 0.074 0.000 2.463 581 N HA 0.092 4.840 4.740 0.014 0.000 0.181 581 N C 0.994 176.550 175.510 0.076 0.000 1.078 581 N CA 1.036 54.124 53.050 0.064 0.000 0.902 581 N CB 0.420 38.943 38.487 0.061 0.000 0.970 581 N HN 0.282 nan 8.380 nan 0.000 0.451 582 G N -0.288 108.583 108.800 0.120 0.000 2.141 582 G HA2 -0.238 3.730 3.960 0.014 0.000 0.231 582 G HA3 -0.238 3.730 3.960 0.014 0.000 0.231 582 G C -0.523 174.527 174.900 0.250 0.000 0.984 582 G CA -0.475 44.702 45.100 0.129 0.000 0.660 582 G HN 0.276 nan 8.290 nan 0.000 0.525 583 N N 1.989 120.830 118.700 0.235 0.000 2.426 583 N HA 0.460 5.209 4.740 0.014 0.000 0.275 583 N C -2.589 173.050 175.510 0.215 0.000 1.019 583 N CA -1.170 52.007 53.050 0.212 0.000 0.941 583 N CB 2.248 40.821 38.487 0.142 0.000 1.123 583 N HN 0.198 nan 8.380 nan 0.000 0.486 584 P HA 0.241 nan 4.420 nan 0.000 0.275 584 P C -0.467 176.794 177.300 -0.066 0.000 1.228 584 P CA -0.276 62.651 63.100 -0.287 0.000 0.786 584 P CB 0.796 32.335 31.700 -0.268 0.000 0.927 585 W N -0.655 120.393 121.300 -0.421 0.000 3.137 585 W HA 0.409 5.077 4.660 0.014 0.000 0.324 585 W C -1.564 174.777 176.519 -0.297 0.000 1.253 585 W CA -1.047 56.068 57.345 -0.384 0.000 1.183 585 W CB 0.433 29.451 29.460 -0.736 0.000 1.424 585 W HN 0.111 nan 8.180 nan 0.000 0.566 586 S N 1.616 117.416 115.700 0.166 0.000 2.448 586 S HA 0.553 5.032 4.470 0.014 0.000 0.279 586 S C 0.179 174.970 174.600 0.318 0.000 1.195 586 S CA -0.198 58.093 58.200 0.152 0.000 1.051 586 S CB 0.685 64.025 63.200 0.233 0.000 0.948 586 S HN 0.592 nan 8.310 nan 0.000 0.493 587 A N 3.189 126.046 122.820 0.061 0.000 2.320 587 A HA 0.863 5.192 4.320 0.014 0.000 0.334 587 A C -0.654 177.187 177.584 0.428 0.000 1.147 587 A CA -0.710 51.403 52.037 0.126 0.000 0.820 587 A CB 0.647 19.400 19.000 -0.411 0.000 1.218 587 A HN 0.829 nan 8.150 nan 0.000 0.482 588 Y N -0.462 120.158 120.300 0.534 0.000 2.914 588 Y HA 0.782 5.340 4.550 0.014 0.000 0.315 588 Y C 0.596 176.863 175.900 0.613 0.000 1.345 588 Y CA -1.515 56.898 58.100 0.522 0.000 1.121 588 Y CB -0.067 38.535 38.460 0.238 0.000 1.363 588 Y HN 0.903 nan 8.280 nan 0.000 0.566 589 G N -0.293 108.908 108.800 0.670 0.000 2.414 589 G HA2 0.385 4.353 3.960 0.014 0.000 0.236 589 G HA3 0.385 4.353 3.960 0.014 0.000 0.236 589 G C 0.926 176.165 174.900 0.565 0.000 1.293 589 G CA 0.343 45.765 45.100 0.536 0.000 0.869 589 G HN 1.986 nan 8.290 nan 0.000 0.556 590 G N 1.913 111.007 108.800 0.489 0.000 2.268 590 G HA2 -0.282 3.687 3.960 0.014 0.000 0.240 590 G HA3 -0.282 3.687 3.960 0.014 0.000 0.240 590 G C 0.907 175.993 174.900 0.309 0.000 1.010 590 G CA 0.685 45.999 45.100 0.357 0.000 0.618 590 G HN 0.640 nan 8.290 nan 0.000 0.516 591 D N -0.134 120.457 120.400 0.318 0.000 2.378 591 D HA 0.145 4.794 4.640 0.014 0.000 0.227 591 D C 1.231 177.364 176.300 -0.277 0.000 1.012 591 D CA 0.524 54.539 54.000 0.025 0.000 0.905 591 D CB -0.198 40.558 40.800 -0.072 0.000 0.895 591 D HN 0.485 nan 8.370 nan 0.000 0.532 592 F N -0.861 119.216 119.950 0.212 0.000 2.698 592 F HA 0.310 4.846 4.527 0.014 0.000 0.304 592 F C 1.728 177.614 175.800 0.142 0.000 1.108 592 F CA -0.239 57.841 58.000 0.133 0.000 1.263 592 F CB 0.819 39.886 39.000 0.111 0.000 1.013 592 F HN -0.049 nan 8.300 nan 0.000 0.532 593 G N 0.529 109.483 108.800 0.256 0.000 2.159 593 G HA2 -0.271 3.697 3.960 0.014 0.000 0.256 593 G HA3 -0.271 3.697 3.960 0.014 0.000 0.256 593 G C -0.245 174.792 174.900 0.228 0.000 0.977 593 G CA 0.159 45.380 45.100 0.202 0.000 0.652 593 G HN 0.403 nan 8.290 nan 0.000 0.531 594 D N 0.373 120.957 120.400 0.306 0.000 2.390 594 D HA 0.527 5.175 4.640 0.014 0.000 0.249 594 D C 0.095 176.521 176.300 0.210 0.000 1.144 594 D CA 0.786 54.956 54.000 0.284 0.000 0.880 594 D CB 1.737 42.767 40.800 0.383 0.000 1.182 594 D HN 0.283 nan 8.370 nan 0.000 0.451 595 T N 1.063 115.710 114.554 0.156 0.000 3.047 595 T HA 0.402 4.761 4.350 0.014 0.000 0.340 595 T C -2.716 172.028 174.700 0.073 0.000 1.421 595 T CA -1.091 61.071 62.100 0.104 0.000 1.090 595 T CB 1.055 69.984 68.868 0.102 0.000 1.292 595 T HN 0.267 nan 8.240 nan 0.000 0.480 596 P HA 0.486 nan 4.420 nan 0.000 0.271 596 P C -0.991 176.310 177.300 0.001 0.000 1.233 596 P CA -0.262 62.844 63.100 0.010 0.000 0.789 596 P CB 0.258 31.940 31.700 -0.031 0.000 0.951 597 N N -1.997 116.696 118.700 -0.010 0.000 2.708 597 N HA 0.267 5.015 4.740 0.014 0.000 0.257 597 N C -1.294 174.175 175.510 -0.069 0.000 1.373 597 N CA -0.769 52.258 53.050 -0.039 0.000 0.843 597 N CB 0.781 39.336 38.487 0.113 0.000 1.503 597 N HN 0.069 nan 8.380 nan 0.000 0.504 598 D N 0.188 120.497 120.400 -0.151 0.000 2.755 598 D HA 0.272 4.920 4.640 0.014 0.000 0.257 598 D C 0.260 176.721 176.300 0.268 0.000 1.291 598 D CA -0.166 53.813 54.000 -0.034 0.000 0.836 598 D CB 0.074 40.742 40.800 -0.220 0.000 1.059 598 D HN 0.548 nan 8.370 nan 0.000 0.486 599 R N 0.623 121.300 120.500 0.295 0.000 3.682 599 R HA -0.267 4.081 4.340 0.014 0.000 0.519 599 R C 1.441 177.738 176.300 -0.004 0.000 0.241 599 R CA 1.974 58.235 56.100 0.267 0.000 1.619 599 R CB -1.191 29.172 30.300 0.106 0.000 0.923 599 R HN 0.219 nan 8.270 nan 0.000 0.598 600 Q N 1.490 121.006 119.800 -0.474 0.000 2.415 600 Q HA -0.050 4.298 4.340 0.014 0.000 0.206 600 Q C 1.491 177.302 176.000 -0.315 0.000 0.946 600 Q CA 0.979 56.339 55.803 -0.739 0.000 0.951 600 Q CB -0.017 28.109 28.738 -1.020 0.000 1.026 600 Q HN 0.552 nan 8.270 nan 0.000 0.510 601 F N 2.372 122.207 119.950 -0.192 0.000 2.287 601 F HA -0.193 4.342 4.527 0.013 0.000 0.301 601 F C 2.038 177.758 175.800 -0.134 0.000 1.069 601 F CA 1.032 59.019 58.000 -0.023 0.000 1.372 601 F CB -0.161 38.929 39.000 0.150 0.000 1.056 601 F HN 0.455 nan 8.300 nan 0.000 0.523 602 C N -1.137 117.688 119.300 -0.792 0.000 2.562 602 C HA 0.232 4.700 4.460 0.014 0.000 0.266 602 C C 1.096 175.765 174.990 -0.534 0.000 1.382 602 C CA -0.487 57.949 59.018 -0.969 0.000 1.742 602 C CB -1.854 24.849 27.740 -1.729 0.000 1.812 602 C HN 0.210 nan 8.230 nan 0.000 0.559 603 M N 2.654 122.012 119.600 -0.404 0.000 2.103 603 M HA 0.274 4.762 4.480 0.014 0.000 0.350 603 M C -0.405 175.726 176.300 -0.282 0.000 1.100 603 M CA 0.364 55.506 55.300 -0.265 0.000 1.042 603 M CB 0.055 32.575 32.600 -0.134 0.000 1.368 603 M HN 0.372 nan 8.290 nan 0.000 0.404 604 N N 1.001 119.507 118.700 -0.323 0.000 2.305 604 N HA 0.194 4.943 4.740 0.014 0.000 0.248 604 N C 0.313 175.561 175.510 -0.436 0.000 1.290 604 N CA -0.529 52.299 53.050 -0.370 0.000 0.873 604 N CB 1.248 39.561 38.487 -0.289 0.000 1.261 604 N HN 0.662 nan 8.380 nan 0.000 0.504 605 G N -0.069 108.445 108.800 -0.477 0.000 2.504 605 G HA2 0.346 4.314 3.960 0.014 0.000 0.288 605 G HA3 0.346 4.314 3.960 0.014 0.000 0.288 605 G C 0.703 175.080 174.900 -0.870 0.000 1.182 605 G CA -0.538 44.182 45.100 -0.634 0.000 0.894 605 G HN 0.095 nan 8.290 nan 0.000 0.521 606 L N -0.248 120.493 121.223 -0.804 0.000 2.313 606 L HA 0.106 4.454 4.340 0.014 0.000 0.214 606 L C 0.836 177.082 176.870 -1.041 0.000 1.119 606 L CA 0.431 54.809 54.840 -0.771 0.000 0.809 606 L CB -0.182 41.581 42.059 -0.494 0.000 0.933 606 L HN 0.382 nan 8.230 nan 0.000 0.449 607 V N -4.931 114.286 119.914 -1.161 0.000 2.823 607 V HA 0.452 4.580 4.120 0.014 0.000 0.312 607 V C -0.225 175.497 176.094 -0.620 0.000 1.072 607 V CA -1.245 60.556 62.300 -0.832 0.000 0.937 607 V CB 1.571 32.931 31.823 -0.771 0.000 1.013 607 V HN -0.133 nan 8.190 nan 0.000 0.430 608 F N 1.852 121.780 119.950 -0.036 0.000 2.480 608 F HA 0.517 5.053 4.527 0.014 0.000 0.319 608 F C 2.012 177.766 175.800 -0.077 0.000 1.230 608 F CA 0.655 58.692 58.000 0.062 0.000 1.285 608 F CB 0.870 39.885 39.000 0.025 0.000 1.208 608 F HN 0.793 nan 8.300 nan 0.000 0.579 609 A N 0.814 123.732 122.820 0.162 0.000 1.997 609 A HA -0.257 4.071 4.320 0.014 0.000 0.221 609 A C 1.626 179.205 177.584 -0.009 0.000 1.172 609 A CA 2.050 54.133 52.037 0.077 0.000 0.645 609 A CB -0.990 18.083 19.000 0.122 0.000 0.813 609 A HN 0.799 nan 8.150 nan 0.000 0.454 610 D N -2.995 117.417 120.400 0.021 0.000 2.319 610 D HA 0.143 4.791 4.640 0.014 0.000 0.230 610 D C 0.608 176.907 176.300 -0.002 0.000 1.094 610 D CA 0.016 53.996 54.000 -0.034 0.000 0.856 610 D CB -0.106 40.672 40.800 -0.037 0.000 0.915 610 D HN 0.217 nan 8.370 nan 0.000 0.517 611 R N -1.866 118.637 120.500 0.004 0.000 3.892 611 R HA -0.123 4.225 4.340 0.014 0.000 0.441 611 R C -0.258 176.059 176.300 0.028 0.000 1.052 611 R CA 1.042 57.135 56.100 -0.011 0.000 1.190 611 R CB -3.285 27.041 30.300 0.043 0.000 1.808 611 R HN 0.251 nan 8.270 nan 0.000 0.538 612 T N 2.636 117.255 114.554 0.108 0.000 2.884 612 T HA 0.375 4.733 4.350 0.014 0.000 0.298 612 T C -2.310 172.529 174.700 0.232 0.000 0.998 612 T CA -0.898 61.297 62.100 0.158 0.000 1.124 612 T CB 1.078 70.055 68.868 0.180 0.000 0.931 612 T HN -0.096 nan 8.240 nan 0.000 0.531 613 P HA 0.189 nan 4.420 nan 0.000 0.275 613 P C -0.129 177.263 177.300 0.153 0.000 1.228 613 P CA -0.268 62.867 63.100 0.058 0.000 0.786 613 P CB 0.429 32.149 31.700 0.034 0.000 0.927 614 H N 2.612 121.523 119.070 -0.266 0.000 2.546 614 H HA 0.109 4.673 4.556 0.014 0.000 0.365 614 H C -1.301 173.948 175.328 -0.132 0.000 1.220 614 H CA -1.860 54.017 56.048 -0.286 0.000 1.386 614 H CB 0.278 29.834 29.762 -0.343 0.000 1.510 614 H HN 0.313 nan 8.280 nan 0.000 0.591 615 P HA -0.183 nan 4.420 nan 0.000 0.216 615 P C 1.213 178.527 177.300 0.022 0.000 1.150 615 P CA 1.617 64.726 63.100 0.015 0.000 0.837 615 P CB -0.011 31.705 31.700 0.026 0.000 0.786 616 A N -0.666 122.169 122.820 0.025 0.000 2.024 616 A HA -0.193 4.136 4.320 0.014 0.000 0.220 616 A C 2.074 179.609 177.584 -0.081 0.000 1.164 616 A CA 1.287 53.294 52.037 -0.050 0.000 0.643 616 A CB -1.607 17.329 19.000 -0.107 0.000 0.806 616 A HN 0.175 nan 8.150 nan 0.000 0.451 617 L N -0.635 120.559 121.223 -0.049 0.000 2.127 617 L HA -0.119 4.229 4.340 0.014 0.000 0.211 617 L C 2.511 179.426 176.870 0.074 0.000 1.089 617 L CA 2.663 57.507 54.840 0.007 0.000 0.757 617 L CB -0.868 41.198 42.059 0.011 0.000 0.899 617 L HN 0.389 nan 8.230 nan 0.000 0.434 618 T N -1.706 112.900 114.554 0.088 0.000 2.857 618 T HA -0.183 4.176 4.350 0.014 0.000 0.266 618 T C 1.809 176.631 174.700 0.203 0.000 1.048 618 T CA 1.386 63.599 62.100 0.188 0.000 1.139 618 T CB -0.101 68.856 68.868 0.149 0.000 0.874 618 T HN 0.466 nan 8.240 nan 0.000 0.455 619 E N 0.796 121.053 120.200 0.096 0.000 2.110 619 E HA 0.053 4.411 4.350 0.014 0.000 0.193 619 E C 2.160 178.781 176.600 0.035 0.000 0.988 619 E CA 1.359 57.822 56.400 0.105 0.000 0.804 619 E CB -0.595 29.130 29.700 0.043 0.000 0.745 619 E HN 0.543 nan 8.360 nan 0.000 0.458 620 A N 0.984 123.711 122.820 -0.155 0.000 1.902 620 A HA -0.216 4.112 4.320 0.014 0.000 0.217 620 A C 2.154 179.624 177.584 -0.190 0.000 1.181 620 A CA 1.853 53.734 52.037 -0.259 0.000 0.623 620 A CB -0.611 18.190 19.000 -0.331 0.000 0.818 620 A HN 0.263 nan 8.150 nan 0.000 0.443 621 K N -1.150 119.209 120.400 -0.067 0.000 2.032 621 K HA -0.294 4.034 4.320 0.014 0.000 0.209 621 K C 2.064 178.557 176.600 -0.178 0.000 1.048 621 K CA 2.060 58.320 56.287 -0.044 0.000 0.927 621 K CB -0.361 32.271 32.500 0.220 0.000 0.712 621 K HN 0.638 nan 8.250 nan 0.000 0.441 622 H N 0.329 119.219 119.070 -0.300 0.000 2.357 622 H HA -0.013 4.551 4.556 0.015 0.000 0.301 622 H C 1.939 176.994 175.328 -0.455 0.000 1.082 622 H CA 1.746 57.419 56.048 -0.625 0.000 1.342 622 H CB 0.103 29.545 29.762 -0.533 0.000 1.389 622 H HN 0.238 nan 8.280 nan 0.000 0.511 623 Q N 0.195 119.742 119.800 -0.421 0.000 2.297 623 Q HA -0.069 4.279 4.340 0.014 0.000 0.204 623 Q C 1.417 176.893 176.000 -0.873 0.000 0.962 623 Q CA 1.026 56.516 55.803 -0.522 0.000 0.879 623 Q CB 0.109 28.717 28.738 -0.217 0.000 0.947 623 Q HN 0.707 nan 8.270 nan 0.000 0.462 624 Q N 0.186 119.421 119.800 -0.942 0.000 2.280 624 Q HA 0.079 4.427 4.340 0.014 0.000 0.202 624 Q C -0.101 175.315 176.000 -0.973 0.000 0.903 624 Q CA -0.194 54.885 55.803 -1.207 0.000 0.948 624 Q CB 0.322 28.405 28.738 -1.092 0.000 1.058 624 Q HN 0.362 nan 8.270 nan 0.000 0.493 625 Q N -0.525 118.854 119.800 -0.701 0.000 2.428 625 Q HA -0.027 4.321 4.340 0.014 0.000 0.276 625 Q C -0.109 175.496 176.000 -0.658 0.000 1.059 625 Q CA 0.422 55.929 55.803 -0.493 0.000 0.923 625 Q CB 0.464 28.994 28.738 -0.347 0.000 1.283 625 Q HN 0.313 nan 8.270 nan 0.000 0.447 626 F N 0.030 119.712 119.950 -0.446 0.000 2.695 626 F HA 0.228 4.763 4.527 0.013 0.000 0.303 626 F C -0.171 174.986 175.800 -1.072 0.000 1.091 626 F CA -0.059 57.432 58.000 -0.847 0.000 1.300 626 F CB 0.605 38.791 39.000 -1.356 0.000 1.071 626 F HN 0.303 nan 8.300 nan 0.000 0.578 627 F N 0.671 120.498 119.950 -0.206 0.000 2.493 627 F HA 0.472 5.008 4.527 0.015 0.000 0.329 627 F C -0.048 175.363 175.800 -0.648 0.000 1.126 627 F CA -1.082 56.688 58.000 -0.384 0.000 0.937 627 F CB 1.215 39.968 39.000 -0.412 0.000 1.146 627 F HN -0.300 nan 8.300 nan 0.000 0.442 628 Q N 3.180 122.732 119.800 -0.413 0.000 2.257 628 Q HA 0.613 4.961 4.340 0.014 0.000 0.262 628 Q C -1.304 174.472 176.000 -0.375 0.000 0.997 628 Q CA -0.660 54.935 55.803 -0.346 0.000 0.873 628 Q CB 2.892 31.551 28.738 -0.131 0.000 1.312 628 Q HN 0.576 nan 8.270 nan 0.000 0.450 629 F N 0.035 120.105 119.950 0.199 0.000 2.588 629 F HA 0.586 5.121 4.527 0.015 0.000 0.310 629 F C 0.259 176.283 175.800 0.374 0.000 1.082 629 F CA -0.926 57.258 58.000 0.307 0.000 0.929 629 F CB 2.052 41.350 39.000 0.497 0.000 1.254 629 F HN 0.113 nan 8.300 nan 0.000 0.455 630 R N 1.657 122.452 120.500 0.492 0.000 2.725 630 R HA 0.693 5.041 4.340 0.014 0.000 0.277 630 R C -2.017 174.326 176.300 0.072 0.000 0.987 630 R CA -1.238 55.063 56.100 0.335 0.000 0.901 630 R CB 3.074 33.486 30.300 0.186 0.000 1.207 630 R HN 0.562 nan 8.270 nan 0.000 0.463 631 L N 0.544 121.680 121.223 -0.145 0.000 2.333 631 L HA 0.523 4.872 4.340 0.014 0.000 0.280 631 L C -0.881 175.834 176.870 -0.258 0.000 1.004 631 L CA 0.084 54.619 54.840 -0.509 0.000 0.820 631 L CB 2.102 43.410 42.059 -1.251 0.000 1.247 631 L HN 0.563 nan 8.230 nan 0.000 0.416 632 S N 3.517 119.089 115.700 -0.214 0.000 2.423 632 S HA 0.682 5.160 4.470 0.014 0.000 0.213 632 S C 0.087 174.607 174.600 -0.134 0.000 1.131 632 S CA 0.222 58.342 58.200 -0.134 0.000 1.155 632 S CB 0.172 63.328 63.200 -0.073 0.000 1.202 632 S HN 1.465 nan 8.310 nan 0.000 0.441 633 G N 3.883 112.597 108.800 -0.143 0.000 2.947 633 G HA2 -0.229 3.739 3.960 0.014 0.000 0.251 633 G HA3 -0.229 3.739 3.960 0.014 0.000 0.251 633 G C -0.024 174.773 174.900 -0.172 0.000 1.481 633 G CA 0.374 45.397 45.100 -0.129 0.000 1.006 633 G HN 0.939 nan 8.290 nan 0.000 0.561 634 Q N -0.539 119.155 119.800 -0.177 0.000 2.089 634 Q HA 0.542 4.890 4.340 0.014 0.000 0.248 634 Q C -0.313 175.543 176.000 -0.240 0.000 0.828 634 Q CA 0.232 55.900 55.803 -0.225 0.000 1.102 634 Q CB 0.768 29.382 28.738 -0.207 0.000 1.221 634 Q HN 0.400 nan 8.270 nan 0.000 0.455 635 T N 1.693 116.121 114.554 -0.210 0.000 2.743 635 T HA 0.512 4.870 4.350 0.014 0.000 0.292 635 T C -0.369 174.209 174.700 -0.204 0.000 0.972 635 T CA -0.315 61.681 62.100 -0.174 0.000 0.967 635 T CB 0.695 69.492 68.868 -0.119 0.000 0.926 635 T HN 0.252 nan 8.240 nan 0.000 0.459 636 I N 2.963 123.422 120.570 -0.184 0.000 2.359 636 I HA 0.313 4.491 4.170 0.014 0.000 0.294 636 I C 0.535 176.645 176.117 -0.012 0.000 0.987 636 I CA -0.600 60.607 61.300 -0.154 0.000 1.225 636 I CB 1.374 39.289 38.000 -0.141 0.000 1.366 636 I HN 0.526 nan 8.210 nan 0.000 0.466 637 E N 6.575 126.806 120.200 0.052 0.000 2.133 637 E HA 0.418 4.777 4.350 0.014 0.000 0.274 637 E C -1.564 175.149 176.600 0.190 0.000 0.930 637 E CA -0.582 55.875 56.400 0.094 0.000 0.770 637 E CB 1.581 31.321 29.700 0.067 0.000 1.104 637 E HN 0.332 nan 8.360 nan 0.000 0.403 638 V N 4.233 124.242 119.914 0.159 0.000 2.398 638 V HA 0.307 4.435 4.120 0.014 0.000 0.286 638 V C -0.047 176.090 176.094 0.072 0.000 1.026 638 V CA -0.571 61.806 62.300 0.130 0.000 0.868 638 V CB 1.713 33.620 31.823 0.139 0.000 0.982 638 V HN 0.695 nan 8.190 nan 0.000 0.443 639 T N 3.281 117.846 114.554 0.017 0.000 2.797 639 T HA 0.328 4.687 4.350 0.014 0.000 0.279 639 T C 0.041 174.758 174.700 0.029 0.000 0.991 639 T CA -0.252 61.862 62.100 0.023 0.000 0.979 639 T CB 1.520 70.382 68.868 -0.010 0.000 0.943 639 T HN 0.681 nan 8.240 nan 0.000 0.444 640 S N 1.850 117.582 115.700 0.053 0.000 2.513 640 S HA 0.186 4.664 4.470 0.014 0.000 0.276 640 S C 0.872 175.364 174.600 -0.180 0.000 1.254 640 S CA -0.505 57.664 58.200 -0.051 0.000 1.053 640 S CB 0.578 63.825 63.200 0.078 0.000 0.958 640 S HN 0.731 nan 8.310 nan 0.000 0.491 641 E N 2.906 122.885 120.200 -0.369 0.000 2.474 641 E HA 0.087 4.446 4.350 0.014 0.000 0.195 641 E C -0.592 175.848 176.600 -0.268 0.000 1.039 641 E CA -0.108 56.112 56.400 -0.299 0.000 0.881 641 E CB 0.232 29.732 29.700 -0.334 0.000 0.970 641 E HN 0.723 nan 8.360 nan 0.000 0.486 642 Y N 0.437 120.625 120.300 -0.187 0.000 2.550 642 Y HA -0.080 4.478 4.550 0.014 0.000 0.343 642 Y C 1.469 177.213 175.900 -0.258 0.000 1.245 642 Y CA 0.129 58.119 58.100 -0.183 0.000 1.462 642 Y CB 0.657 38.994 38.460 -0.205 0.000 1.340 642 Y HN -0.032 nan 8.280 nan 0.000 0.604 643 L N 0.887 121.954 121.223 -0.260 0.000 2.408 643 L HA 0.034 4.383 4.340 0.014 0.000 0.215 643 L C 0.679 177.044 176.870 -0.842 0.000 1.081 643 L CA 0.611 55.014 54.840 -0.729 0.000 0.840 643 L CB 0.010 41.224 42.059 -1.408 0.000 1.002 643 L HN 0.638 nan 8.230 nan 0.000 0.468 644 F N -0.682 119.284 119.950 0.027 0.000 2.640 644 F HA 0.212 4.746 4.527 0.012 0.000 0.285 644 F C 1.197 176.978 175.800 -0.032 0.000 1.031 644 F CA -0.802 57.185 58.000 -0.022 0.000 1.240 644 F CB 0.212 39.175 39.000 -0.062 0.000 1.011 644 F HN -0.162 nan 8.300 nan 0.000 0.656 645 R N 0.338 120.877 120.500 0.066 0.000 2.536 645 R HA 0.454 4.802 4.340 0.014 0.000 0.279 645 R C -0.872 175.422 176.300 -0.011 0.000 1.001 645 R CA -0.677 55.409 56.100 -0.022 0.000 1.027 645 R CB 0.837 31.019 30.300 -0.197 0.000 1.096 645 R HN 0.101 nan 8.270 nan 0.000 0.502 646 H N 0.534 119.584 119.070 -0.034 0.000 2.546 646 H HA 0.113 4.677 4.556 0.014 0.000 0.365 646 H C -0.119 175.218 175.328 0.014 0.000 1.220 646 H CA 0.066 56.124 56.048 0.016 0.000 1.386 646 H CB 1.160 30.935 29.762 0.022 0.000 1.510 646 H HN 0.751 nan 8.280 nan 0.000 0.591 647 S N 1.996 117.505 115.700 -0.318 0.000 4.183 647 S HA -0.008 4.470 4.470 0.014 0.000 0.195 647 S C -0.028 174.656 174.600 0.140 0.000 1.421 647 S CA -0.300 57.907 58.200 0.012 0.000 0.920 647 S CB -0.691 62.546 63.200 0.061 0.000 1.525 647 S HN 0.717 nan 8.310 nan 0.000 0.447 648 D N 0.706 121.221 120.400 0.191 0.000 2.325 648 D HA 0.056 4.704 4.640 0.014 0.000 0.234 648 D C 0.235 176.591 176.300 0.093 0.000 1.122 648 D CA -0.249 53.858 54.000 0.178 0.000 0.850 648 D CB -0.378 40.511 40.800 0.149 0.000 0.921 648 D HN 0.481 nan 8.370 nan 0.000 0.513 649 N N 0.123 118.876 118.700 0.087 0.000 2.639 649 N HA 0.144 4.893 4.740 0.014 0.000 0.265 649 N C -1.667 173.898 175.510 0.092 0.000 1.689 649 N CA -0.190 52.904 53.050 0.073 0.000 0.813 649 N CB 0.326 38.849 38.487 0.060 0.000 1.353 649 N HN -0.049 nan 8.380 nan 0.000 0.510 650 E N 0.286 120.525 120.200 0.065 0.000 2.335 650 E HA 0.439 4.797 4.350 0.014 0.000 0.280 650 E C -1.683 174.909 176.600 -0.014 0.000 0.918 650 E CA -0.702 55.716 56.400 0.031 0.000 0.765 650 E CB 2.287 31.965 29.700 -0.037 0.000 1.218 650 E HN 0.136 nan 8.360 nan 0.000 0.425 651 L N 3.437 124.644 121.223 -0.027 0.000 2.401 651 L HA 0.616 4.965 4.340 0.014 0.000 0.266 651 L C -1.729 175.081 176.870 -0.101 0.000 0.991 651 L CA -0.911 53.875 54.840 -0.090 0.000 0.818 651 L CB 1.652 43.638 42.059 -0.122 0.000 1.321 651 L HN 0.696 nan 8.230 nan 0.000 0.413 652 L N 4.177 125.349 121.223 -0.086 0.000 2.264 652 L HA 0.465 4.813 4.340 0.014 0.000 0.289 652 L C -0.894 175.962 176.870 -0.024 0.000 1.044 652 L CA 0.015 54.868 54.840 0.022 0.000 0.807 652 L CB 0.868 42.998 42.059 0.119 0.000 1.192 652 L HN 0.659 nan 8.230 nan 0.000 0.425 653 H N 4.890 124.041 119.070 0.136 0.000 2.459 653 H HA 0.512 5.076 4.556 0.014 0.000 0.332 653 H C -1.123 174.304 175.328 0.165 0.000 1.094 653 H CA -0.229 55.864 56.048 0.076 0.000 1.224 653 H CB 1.001 30.770 29.762 0.011 0.000 1.449 653 H HN 0.628 nan 8.280 nan 0.000 0.484 654 W N 5.146 126.543 121.300 0.161 0.000 2.844 654 W HA 0.600 5.269 4.660 0.014 0.000 0.340 654 W C -1.645 174.936 176.519 0.103 0.000 1.093 654 W CA -1.327 56.088 57.345 0.117 0.000 1.212 654 W CB 1.297 30.803 29.460 0.076 0.000 1.422 654 W HN 0.554 nan 8.180 nan 0.000 0.515 655 M N 2.653 122.473 119.600 0.367 0.000 2.470 655 M HA 0.693 5.181 4.480 0.014 0.000 0.285 655 M C -2.454 174.051 176.300 0.342 0.000 1.213 655 M CA -0.777 54.636 55.300 0.187 0.000 0.901 655 M CB 2.146 34.732 32.600 -0.023 0.000 1.718 655 M HN 0.181 nan 8.290 nan 0.000 0.469 656 V N 2.275 122.365 119.914 0.293 0.000 2.540 656 V HA 0.952 5.080 4.120 0.014 0.000 0.302 656 V C -0.433 175.768 176.094 0.178 0.000 1.035 656 V CA -0.395 62.073 62.300 0.280 0.000 0.873 656 V CB 1.466 33.480 31.823 0.319 0.000 0.992 656 V HN 1.054 nan 8.190 nan 0.000 0.428 657 A N 4.293 127.229 122.820 0.193 0.000 2.475 657 A HA 0.893 5.221 4.320 0.014 0.000 0.301 657 A C -1.448 176.250 177.584 0.190 0.000 1.059 657 A CA -0.620 51.498 52.037 0.136 0.000 0.710 657 A CB 1.753 20.791 19.000 0.064 0.000 1.288 657 A HN 0.907 nan 8.150 nan 0.000 0.408 658 L N 1.847 123.150 121.223 0.133 0.000 2.262 658 L HA 0.455 4.803 4.340 0.014 0.000 0.288 658 L C -0.487 176.473 176.870 0.151 0.000 1.035 658 L CA 0.154 55.086 54.840 0.153 0.000 0.820 658 L CB 0.304 42.423 42.059 0.099 0.000 1.204 658 L HN 0.765 nan 8.230 nan 0.000 0.424 659 D N 4.724 125.277 120.400 0.254 0.000 2.740 659 D HA -0.237 4.412 4.640 0.014 0.000 0.231 659 D C 1.098 177.433 176.300 0.058 0.000 1.194 659 D CA 1.192 55.337 54.000 0.242 0.000 0.673 659 D CB -1.128 39.787 40.800 0.192 0.000 0.995 659 D HN 1.200 nan 8.370 nan 0.000 0.411 660 G N -0.317 108.467 108.800 -0.026 0.000 2.225 660 G HA2 -0.356 3.612 3.960 0.014 0.000 0.254 660 G HA3 -0.356 3.612 3.960 0.014 0.000 0.254 660 G C 0.170 174.986 174.900 -0.139 0.000 0.988 660 G CA 0.637 45.615 45.100 -0.203 0.000 0.625 660 G HN 0.545 nan 8.290 nan 0.000 0.527 661 K N 1.599 121.970 120.400 -0.050 0.000 2.240 661 K HA 0.512 4.840 4.320 0.014 0.000 0.271 661 K C -2.880 173.710 176.600 -0.017 0.000 1.018 661 K CA -2.140 54.120 56.287 -0.044 0.000 0.874 661 K CB 2.151 34.639 32.500 -0.020 0.000 1.098 661 K HN -0.001 nan 8.250 nan 0.000 0.458 662 P HA -0.038 nan 4.420 nan 0.000 0.262 662 P C -0.307 176.992 177.300 -0.003 0.000 1.199 662 P CA 0.018 63.100 63.100 -0.029 0.000 0.763 662 P CB 0.551 32.213 31.700 -0.063 0.000 0.790 663 L N 3.046 124.286 121.223 0.029 0.000 2.653 663 L HA 0.520 4.868 4.340 0.014 0.000 0.230 663 L C 0.677 177.582 176.870 0.059 0.000 1.055 663 L CA 0.768 55.637 54.840 0.049 0.000 0.880 663 L CB 0.199 42.306 42.059 0.079 0.000 1.195 663 L HN 0.465 nan 8.230 nan 0.000 0.492 664 A N -1.673 121.188 122.820 0.068 0.000 2.597 664 A HA 0.751 5.079 4.320 0.014 0.000 0.292 664 A C -1.176 176.323 177.584 -0.143 0.000 1.057 664 A CA 0.179 52.253 52.037 0.062 0.000 0.674 664 A CB 1.070 20.224 19.000 0.256 0.000 1.278 664 A HN 0.108 nan 8.150 nan 0.000 0.416 665 S N -0.617 114.733 115.700 -0.583 0.000 2.614 665 S HA 0.838 5.316 4.470 0.014 0.000 0.280 665 S C -0.364 173.383 174.600 -1.422 0.000 1.111 665 S CA 0.215 57.669 58.200 -1.243 0.000 0.847 665 S CB 0.728 63.598 63.200 -0.550 0.000 1.079 665 S HN 2.650 nan 8.310 nan 0.000 0.452 666 G N 0.653 108.249 108.800 -2.006 0.000 2.682 666 G HA2 0.768 4.736 3.960 0.014 0.000 0.303 666 G HA3 0.768 4.736 3.960 0.014 0.000 0.303 666 G C -1.879 172.704 174.900 -0.529 0.000 1.341 666 G CA -0.425 44.123 45.100 -0.920 0.000 0.784 666 G HN 1.204 nan 8.290 nan 0.000 0.497 667 E N -1.898 118.249 120.200 -0.089 0.000 2.383 667 E HA 0.730 5.088 4.350 0.014 0.000 0.275 667 E C -1.629 175.012 176.600 0.069 0.000 0.918 667 E CA -1.026 55.350 56.400 -0.040 0.000 0.764 667 E CB 2.787 32.349 29.700 -0.230 0.000 1.252 667 E HN 0.503 nan 8.360 nan 0.000 0.449 668 V N 1.639 121.575 119.914 0.037 0.000 2.817 668 V HA 0.427 4.555 4.120 0.014 0.000 0.303 668 V C -2.539 173.555 176.094 -0.000 0.000 1.151 668 V CA -1.795 60.537 62.300 0.052 0.000 0.929 668 V CB 2.060 33.946 31.823 0.105 0.000 1.030 668 V HN 0.707 nan 8.190 nan 0.000 0.427 669 P HA 0.354 nan 4.420 nan 0.000 0.275 669 P C -0.812 176.491 177.300 0.005 0.000 1.228 669 P CA -0.163 62.935 63.100 -0.004 0.000 0.786 669 P CB 0.734 32.443 31.700 0.015 0.000 0.927 670 L N 2.485 123.699 121.223 -0.015 0.000 2.289 670 L HA 0.358 4.706 4.340 0.014 0.000 0.285 670 L C 0.457 177.337 176.870 0.017 0.000 1.049 670 L CA 0.019 54.841 54.840 -0.030 0.000 0.804 670 L CB 0.782 42.754 42.059 -0.144 0.000 1.195 670 L HN 0.302 nan 8.230 nan 0.000 0.428 671 D N 3.254 123.678 120.400 0.040 0.000 2.443 671 D HA 0.285 4.933 4.640 0.014 0.000 0.281 671 D C -1.397 174.912 176.300 0.015 0.000 1.210 671 D CA -0.068 54.014 54.000 0.137 0.000 0.875 671 D CB 1.318 42.231 40.800 0.187 0.000 1.125 671 D HN 0.126 nan 8.370 nan 0.000 0.503 672 V N 1.760 121.510 119.914 -0.272 0.000 2.588 672 V HA 0.879 5.008 4.120 0.014 0.000 0.304 672 V C -0.285 175.571 176.094 -0.396 0.000 1.042 672 V CA -0.495 61.694 62.300 -0.184 0.000 0.877 672 V CB 1.401 33.231 31.823 0.011 0.000 0.996 672 V HN 0.486 nan 8.190 nan 0.000 0.425 673 A N 8.524 131.285 122.820 -0.098 0.000 2.313 673 A HA 0.750 5.078 4.320 0.014 0.000 0.261 673 A C -2.440 175.155 177.584 0.017 0.000 1.090 673 A CA -1.417 50.640 52.037 0.034 0.000 0.807 673 A CB -0.051 19.032 19.000 0.138 0.000 1.055 673 A HN 0.787 nan 8.150 nan 0.000 0.492 674 P HA 0.021 nan 4.420 nan 0.000 0.264 674 P C -0.459 176.834 177.300 -0.011 0.000 1.193 674 P CA 0.587 63.695 63.100 0.014 0.000 0.763 674 P CB 0.676 32.360 31.700 -0.027 0.000 0.810 675 Q N -1.146 118.636 119.800 -0.029 0.000 2.305 675 Q HA -0.164 4.184 4.340 0.014 0.000 0.203 675 Q C 0.812 176.806 176.000 -0.009 0.000 0.663 675 Q CA 1.864 57.644 55.803 -0.038 0.000 1.389 675 Q CB -2.541 26.168 28.738 -0.048 0.000 1.566 675 Q HN 0.774 nan 8.270 nan 0.000 0.755 676 G N 0.272 109.081 108.800 0.014 0.000 2.557 676 G HA2 0.507 4.476 3.960 0.014 0.000 0.292 676 G HA3 0.507 4.476 3.960 0.014 0.000 0.292 676 G C -0.232 174.689 174.900 0.035 0.000 1.237 676 G CA -0.448 44.668 45.100 0.027 0.000 0.978 676 G HN -0.007 nan 8.290 nan 0.000 0.498 677 K N -0.693 119.730 120.400 0.038 0.000 2.385 677 K HA 0.446 4.774 4.320 0.014 0.000 0.248 677 K C -0.943 175.685 176.600 0.047 0.000 0.955 677 K CA -0.588 55.726 56.287 0.044 0.000 0.816 677 K CB 2.523 35.044 32.500 0.035 0.000 1.250 677 K HN 0.558 nan 8.250 nan 0.000 0.434 678 Q N 3.048 122.880 119.800 0.053 0.000 2.305 678 Q HA 0.388 4.736 4.340 0.014 0.000 0.271 678 Q C -1.640 174.387 176.000 0.045 0.000 1.046 678 Q CA -0.682 55.150 55.803 0.048 0.000 0.798 678 Q CB 1.403 30.171 28.738 0.048 0.000 1.286 678 Q HN 0.526 nan 8.270 nan 0.000 0.435 679 L N 5.241 126.481 121.223 0.028 0.000 2.264 679 L HA 0.531 4.880 4.340 0.014 0.000 0.289 679 L C -0.607 176.262 176.870 -0.001 0.000 1.044 679 L CA -0.627 54.219 54.840 0.010 0.000 0.807 679 L CB 1.074 43.131 42.059 -0.003 0.000 1.192 679 L HN 0.602 nan 8.230 nan 0.000 0.425 680 I N 3.617 124.177 120.570 -0.018 0.000 2.411 680 I HA 0.172 4.351 4.170 0.014 0.000 0.284 680 I C -0.163 175.889 176.117 -0.108 0.000 1.012 680 I CA -0.493 60.782 61.300 -0.042 0.000 1.119 680 I CB 1.624 39.610 38.000 -0.023 0.000 1.261 680 I HN 0.542 nan 8.210 nan 0.000 0.448 681 E N 7.709 127.846 120.200 -0.104 0.000 2.052 681 E HA 0.290 4.649 4.350 0.014 0.000 0.283 681 E C -0.488 175.997 176.600 -0.193 0.000 1.071 681 E CA -0.490 55.831 56.400 -0.132 0.000 0.851 681 E CB 1.312 30.962 29.700 -0.084 0.000 1.066 681 E HN 0.547 nan 8.360 nan 0.000 0.396 682 L N 5.452 126.495 121.223 -0.299 0.000 2.513 682 L HA 0.074 4.423 4.340 0.014 0.000 0.272 682 L C -1.511 175.182 176.870 -0.296 0.000 1.187 682 L CA -1.351 53.210 54.840 -0.465 0.000 0.895 682 L CB -0.018 41.696 42.059 -0.576 0.000 1.147 682 L HN 0.254 nan 8.230 nan 0.000 0.483 683 P HA -0.076 nan 4.420 nan 0.000 0.278 683 P C -0.592 176.655 177.300 -0.087 0.000 1.270 683 P CA -0.337 62.719 63.100 -0.074 0.000 0.800 683 P CB 0.340 32.070 31.700 0.050 0.000 1.142 684 E N 0.377 120.560 120.200 -0.028 0.000 2.344 684 E HA 0.122 4.480 4.350 0.014 0.000 0.270 684 E C -1.130 175.476 176.600 0.010 0.000 1.021 684 E CA -0.268 56.119 56.400 -0.021 0.000 0.887 684 E CB 0.106 29.803 29.700 -0.006 0.000 0.997 684 E HN 0.240 nan 8.360 nan 0.000 0.429 685 L N 6.214 127.437 121.223 -0.000 0.000 2.307 685 L HA 0.363 4.711 4.340 0.014 0.000 0.282 685 L C -1.860 175.032 176.870 0.036 0.000 1.051 685 L CA -1.846 53.015 54.840 0.036 0.000 0.804 685 L CB 1.301 43.386 42.059 0.043 0.000 1.197 685 L HN 0.600 nan 8.230 nan 0.000 0.431 686 P HA 0.095 nan 4.420 nan 0.000 0.269 686 P C -0.989 176.331 177.300 0.034 0.000 1.217 686 P CA -0.476 62.649 63.100 0.042 0.000 0.783 686 P CB 0.637 32.366 31.700 0.049 0.000 0.898 687 Q N 1.057 120.872 119.800 0.026 0.000 2.195 687 Q HA 0.734 5.082 4.340 0.014 0.000 0.250 687 Q C -2.251 173.764 176.000 0.024 0.000 0.988 687 Q CA -1.366 54.450 55.803 0.022 0.000 0.911 687 Q CB 0.588 29.334 28.738 0.014 0.000 1.258 687 Q HN 0.390 nan 8.270 nan 0.000 0.475 688 P HA 0.360 nan 4.420 nan 0.000 0.325 688 P C -1.094 176.218 177.300 0.021 0.000 1.788 688 P CA -0.374 62.741 63.100 0.024 0.000 1.418 688 P CB 2.003 33.722 31.700 0.032 0.000 1.504 689 E N 0.265 120.476 120.200 0.019 0.000 2.208 689 E HA -0.014 4.344 4.350 0.014 0.000 0.193 689 E C 0.808 177.421 176.600 0.021 0.000 0.988 689 E CA 0.637 57.047 56.400 0.017 0.000 0.828 689 E CB 0.051 29.760 29.700 0.015 0.000 0.763 689 E HN 0.402 nan 8.360 nan 0.000 0.478 690 S N 0.428 116.142 115.700 0.024 0.000 2.626 690 S HA 0.143 4.621 4.470 0.014 0.000 0.303 690 S C 0.068 174.687 174.600 0.033 0.000 1.256 690 S CA -0.178 58.039 58.200 0.029 0.000 1.069 690 S CB 0.164 63.382 63.200 0.030 0.000 0.807 690 S HN 0.284 nan 8.310 nan 0.000 0.500 691 A N 4.050 126.891 122.820 0.035 0.000 2.386 691 A HA 0.732 5.060 4.320 0.014 0.000 0.248 691 A C 0.920 178.533 177.584 0.049 0.000 1.082 691 A CA 0.296 52.356 52.037 0.038 0.000 0.789 691 A CB -0.160 18.863 19.000 0.039 0.000 1.025 691 A HN 1.806 nan 8.150 nan 0.000 0.490 692 G N -0.494 108.336 108.800 0.049 0.000 2.369 692 G HA2 0.437 4.405 3.960 0.014 0.000 0.307 692 G HA3 0.437 4.405 3.960 0.014 0.000 0.307 692 G C -1.190 173.739 174.900 0.049 0.000 1.327 692 G CA -0.321 44.821 45.100 0.069 0.000 0.963 692 G HN 1.094 nan 8.290 nan 0.000 0.590 693 Q N -0.064 119.778 119.800 0.069 0.000 2.278 693 Q HA 0.715 5.063 4.340 0.014 0.000 0.257 693 Q C -0.097 175.937 176.000 0.058 0.000 0.928 693 Q CA -0.519 55.279 55.803 -0.010 0.000 0.932 693 Q CB 1.149 29.848 28.738 -0.066 0.000 1.221 693 Q HN 0.569 nan 8.270 nan 0.000 0.434 694 L N 3.933 125.143 121.223 -0.021 0.000 2.395 694 L HA 0.470 4.818 4.340 0.014 0.000 0.269 694 L C -0.768 176.118 176.870 0.026 0.000 1.133 694 L CA -0.378 54.507 54.840 0.076 0.000 0.812 694 L CB 0.731 42.812 42.059 0.036 0.000 1.125 694 L HN 0.723 nan 8.230 nan 0.000 0.452 695 W N 3.216 124.568 121.300 0.088 0.000 3.022 695 W HA 0.470 5.138 4.660 0.014 0.000 0.335 695 W C -0.989 175.628 176.519 0.164 0.000 1.133 695 W CA -0.485 56.932 57.345 0.120 0.000 1.219 695 W CB 1.644 31.189 29.460 0.141 0.000 1.409 695 W HN 0.077 nan 8.180 nan 0.000 0.507 696 L N 3.040 124.537 121.223 0.457 0.000 2.296 696 L HA 0.776 5.124 4.340 0.014 0.000 0.286 696 L C -0.341 176.827 176.870 0.496 0.000 1.023 696 L CA 0.191 55.285 54.840 0.423 0.000 0.812 696 L CB 1.275 43.540 42.059 0.344 0.000 1.223 696 L HN 0.334 nan 8.230 nan 0.000 0.421 697 T N 5.099 119.889 114.554 0.395 0.000 2.824 697 T HA 0.658 5.016 4.350 0.014 0.000 0.282 697 T C -0.719 174.167 174.700 0.310 0.000 0.993 697 T CA -0.451 61.840 62.100 0.317 0.000 0.967 697 T CB 1.488 70.482 68.868 0.211 0.000 0.960 697 T HN 0.580 nan 8.240 nan 0.000 0.441 698 V N 1.637 121.707 119.914 0.259 0.000 2.628 698 V HA 0.814 4.943 4.120 0.014 0.000 0.306 698 V C -0.653 175.546 176.094 0.175 0.000 1.045 698 V CA -1.153 61.264 62.300 0.195 0.000 0.905 698 V CB 1.850 33.709 31.823 0.060 0.000 0.997 698 V HN 0.808 nan 8.190 nan 0.000 0.436 699 R N 2.276 122.914 120.500 0.230 0.000 2.621 699 R HA 0.781 5.129 4.340 0.014 0.000 0.284 699 R C -1.682 174.799 176.300 0.302 0.000 0.998 699 R CA -0.770 55.507 56.100 0.295 0.000 0.895 699 R CB 2.701 33.147 30.300 0.242 0.000 1.195 699 R HN 0.675 nan 8.270 nan 0.000 0.450 700 V N 3.383 123.499 119.914 0.338 0.000 2.435 700 V HA 0.455 4.584 4.120 0.014 0.000 0.290 700 V C -0.214 176.028 176.094 0.247 0.000 1.030 700 V CA -0.640 61.810 62.300 0.249 0.000 0.881 700 V CB 1.785 33.734 31.823 0.210 0.000 0.983 700 V HN 0.439 nan 8.190 nan 0.000 0.445 701 V N 4.623 124.662 119.914 0.209 0.000 2.823 701 V HA 0.446 4.575 4.120 0.014 0.000 0.312 701 V C -0.544 175.649 176.094 0.166 0.000 1.072 701 V CA -0.840 61.585 62.300 0.208 0.000 0.937 701 V CB 2.181 34.187 31.823 0.304 0.000 1.013 701 V HN 0.915 nan 8.190 nan 0.000 0.430 702 Q N 4.612 124.516 119.800 0.172 0.000 2.398 702 Q HA 0.301 4.649 4.340 0.014 0.000 0.251 702 Q C -1.907 174.149 176.000 0.094 0.000 0.999 702 Q CA -1.801 54.084 55.803 0.136 0.000 0.874 702 Q CB 1.857 30.686 28.738 0.151 0.000 1.215 702 Q HN 0.455 nan 8.270 nan 0.000 0.470 703 P HA -0.155 nan 4.420 nan 0.000 0.221 703 P C -0.488 176.828 177.300 0.027 0.000 1.150 703 P CA 1.031 64.165 63.100 0.057 0.000 0.800 703 P CB 0.386 32.114 31.700 0.047 0.000 0.787 704 N N -0.622 118.082 118.700 0.008 0.000 2.456 704 N HA 0.454 5.202 4.740 0.014 0.000 0.296 704 N C -0.291 175.181 175.510 -0.062 0.000 1.102 704 N CA -0.752 52.287 53.050 -0.019 0.000 0.924 704 N CB 1.097 39.572 38.487 -0.019 0.000 1.186 704 N HN -0.085 nan 8.380 nan 0.000 0.492 705 A N 0.630 123.404 122.820 -0.075 0.000 2.406 705 A HA 0.443 4.771 4.320 0.014 0.000 0.243 705 A C 0.528 178.004 177.584 -0.181 0.000 1.082 705 A CA 0.023 51.982 52.037 -0.131 0.000 0.786 705 A CB 0.033 18.979 19.000 -0.089 0.000 1.029 705 A HN 0.702 nan 8.150 nan 0.000 0.495 706 T N -3.125 111.245 114.554 -0.307 0.000 2.742 706 T HA 0.629 4.987 4.350 0.014 0.000 0.282 706 T C 0.898 175.453 174.700 -0.243 0.000 1.025 706 T CA 0.047 61.951 62.100 -0.326 0.000 1.020 706 T CB 1.117 69.578 68.868 -0.679 0.000 1.317 706 T HN 1.367 nan 8.240 nan 0.000 0.538 707 A N -0.098 122.665 122.820 -0.095 0.000 2.121 707 A HA 0.131 4.459 4.320 0.014 0.000 0.218 707 A C 1.589 179.309 177.584 0.226 0.000 1.154 707 A CA 0.951 53.030 52.037 0.071 0.000 0.679 707 A CB -0.859 18.221 19.000 0.132 0.000 0.795 707 A HN 0.909 nan 8.150 nan 0.000 0.458 708 W N -0.640 120.730 121.300 0.117 0.000 2.870 708 W HA 0.422 5.091 4.660 0.015 0.000 0.358 708 W C -0.277 176.215 176.519 -0.045 0.000 1.043 708 W CA 0.434 57.821 57.345 0.070 0.000 1.692 708 W CB -0.922 28.575 29.460 0.061 0.000 1.100 708 W HN 0.378 nan 8.180 nan 0.000 0.557 709 S N 0.614 115.922 115.700 -0.653 0.000 2.579 709 S HA 0.409 4.887 4.470 0.014 0.000 0.272 709 S C -0.671 173.709 174.600 -0.366 0.000 1.141 709 S CA -0.867 56.952 58.200 -0.634 0.000 0.843 709 S CB 2.382 64.844 63.200 -1.229 0.000 1.122 709 S HN 0.232 nan 8.310 nan 0.000 0.468 710 E N 1.055 121.143 120.200 -0.186 0.000 2.318 710 E HA 0.625 4.983 4.350 0.014 0.000 0.265 710 E C 0.112 176.685 176.600 -0.044 0.000 1.069 710 E CA -1.183 55.169 56.400 -0.079 0.000 0.893 710 E CB 0.831 30.528 29.700 -0.006 0.000 1.076 710 E HN 0.861 nan 8.360 nan 0.000 0.414 711 A N 0.963 123.766 122.820 -0.028 0.000 2.511 711 A HA 0.399 4.727 4.320 0.014 0.000 0.242 711 A C 1.267 178.875 177.584 0.039 0.000 1.069 711 A CA 0.557 52.593 52.037 -0.001 0.000 0.763 711 A CB -0.704 18.296 19.000 -0.001 0.000 1.001 711 A HN 1.147 nan 8.150 nan 0.000 0.498 712 G N 0.640 109.480 108.800 0.067 0.000 2.176 712 G HA2 -0.254 3.714 3.960 0.014 0.000 0.253 712 G HA3 -0.254 3.714 3.960 0.014 0.000 0.253 712 G C 0.282 175.253 174.900 0.118 0.000 0.979 712 G CA 0.692 45.842 45.100 0.083 0.000 0.641 712 G HN 1.785 nan 8.290 nan 0.000 0.530 713 H N 0.714 119.807 119.070 0.039 0.000 3.094 713 H HA 0.377 4.941 4.556 0.014 0.000 0.320 713 H C 0.747 176.167 175.328 0.153 0.000 1.000 713 H CA 0.518 56.613 56.048 0.078 0.000 1.413 713 H CB 0.128 29.912 29.762 0.036 0.000 1.405 713 H HN 0.327 nan 8.280 nan 0.000 0.586 714 I N 4.645 125.003 120.570 -0.354 0.000 2.325 714 I HA 0.033 4.211 4.170 0.014 0.000 0.291 714 I C 1.020 176.983 176.117 -0.258 0.000 1.019 714 I CA 0.139 61.350 61.300 -0.148 0.000 1.302 714 I CB 1.453 39.445 38.000 -0.013 0.000 1.401 714 I HN 0.790 nan 8.210 nan 0.000 0.485 715 S N 4.314 120.086 115.700 0.119 0.000 2.502 715 S HA 0.558 5.036 4.470 0.014 0.000 0.215 715 S C 0.476 175.329 174.600 0.422 0.000 1.009 715 S CA 0.070 58.472 58.200 0.336 0.000 0.908 715 S CB 0.537 64.054 63.200 0.528 0.000 0.801 715 S HN 0.717 nan 8.310 nan 0.000 0.505 716 A N 0.332 123.443 122.820 0.485 0.000 2.597 716 A HA 0.651 4.979 4.320 0.014 0.000 0.292 716 A C -1.809 176.146 177.584 0.619 0.000 1.057 716 A CA -0.872 51.423 52.037 0.430 0.000 0.674 716 A CB 0.302 19.590 19.000 0.479 0.000 1.278 716 A HN 0.924 nan 8.150 nan 0.000 0.416 717 W N -0.307 121.214 121.300 0.369 0.000 3.025 717 W HA 0.823 5.492 4.660 0.015 0.000 0.343 717 W C -1.124 175.494 176.519 0.164 0.000 1.246 717 W CA -0.642 56.817 57.345 0.191 0.000 1.178 717 W CB 1.206 30.722 29.460 0.095 0.000 1.463 717 W HN 1.059 nan 8.180 nan 0.000 0.578 718 Q N 0.897 120.760 119.800 0.105 0.000 2.594 718 Q HA 0.399 4.747 4.340 0.014 0.000 0.278 718 Q C -1.725 174.134 176.000 -0.236 0.000 0.961 718 Q CA -0.449 55.257 55.803 -0.163 0.000 0.844 718 Q CB 2.260 30.694 28.738 -0.507 0.000 1.475 718 Q HN 0.622 nan 8.270 nan 0.000 0.389 719 Q N 1.432 121.042 119.800 -0.317 0.000 2.413 719 Q HA 0.651 4.999 4.340 0.014 0.000 0.276 719 Q C -1.119 174.764 176.000 -0.194 0.000 1.099 719 Q CA -0.692 55.087 55.803 -0.040 0.000 0.814 719 Q CB 2.433 31.334 28.738 0.271 0.000 1.379 719 Q HN 0.584 nan 8.270 nan 0.000 0.436 720 W N 1.007 122.466 121.300 0.265 0.000 3.032 720 W HA 0.446 5.114 4.660 0.013 0.000 0.335 720 W C -0.373 176.106 176.519 -0.067 0.000 1.154 720 W CA -0.679 56.732 57.345 0.110 0.000 1.204 720 W CB 1.834 31.314 29.460 0.034 0.000 1.416 720 W HN 0.433 nan 8.180 nan 0.000 0.521 721 R N 1.669 122.065 120.500 -0.172 0.000 2.441 721 R HA 0.477 4.825 4.340 0.014 0.000 0.284 721 R C 0.492 176.649 176.300 -0.239 0.000 1.070 721 R CA -0.200 55.517 56.100 -0.638 0.000 1.047 721 R CB 1.156 30.978 30.300 -0.796 0.000 1.016 721 R HN 0.297 nan 8.270 nan 0.000 0.477 722 L N 1.149 122.240 121.223 -0.221 0.000 2.793 722 L HA 0.536 4.884 4.340 0.014 0.000 0.188 722 L C 0.646 177.436 176.870 -0.134 0.000 1.949 722 L CA -1.059 53.710 54.840 -0.118 0.000 2.556 722 L CB -0.088 41.940 42.059 -0.053 0.000 2.898 722 L HN 0.604 nan 8.230 nan 0.000 0.621 723 A N 0.246 123.014 122.820 -0.087 0.000 2.448 723 A HA 0.217 4.546 4.320 0.014 0.000 0.239 723 A C -0.302 177.232 177.584 -0.084 0.000 1.080 723 A CA 0.229 52.221 52.037 -0.076 0.000 0.779 723 A CB 0.168 19.141 19.000 -0.045 0.000 1.026 723 A HN 0.626 nan 8.150 nan 0.000 0.499 724 E N 0.795 120.952 120.200 -0.072 0.000 2.256 724 E HA 0.308 4.666 4.350 0.014 0.000 0.268 724 E C -1.496 175.088 176.600 -0.028 0.000 0.877 724 E CA -0.682 55.682 56.400 -0.060 0.000 0.757 724 E CB 0.941 30.595 29.700 -0.078 0.000 1.183 724 E HN 0.679 nan 8.360 nan 0.000 0.418 725 N N 5.243 123.938 118.700 -0.008 0.000 2.564 725 N HA 0.263 5.011 4.740 0.014 0.000 0.248 725 N C -0.564 174.954 175.510 0.013 0.000 0.986 725 N CA -0.331 52.721 53.050 0.003 0.000 0.921 725 N CB 1.114 39.607 38.487 0.010 0.000 1.136 725 N HN 0.465 nan 8.380 nan 0.000 0.509 726 L N 0.753 121.982 121.223 0.011 0.000 2.456 726 L HA 0.096 4.444 4.340 0.014 0.000 0.272 726 L C 1.347 178.233 176.870 0.026 0.000 1.189 726 L CA 0.100 54.952 54.840 0.021 0.000 0.846 726 L CB 0.360 42.431 42.059 0.020 0.000 1.111 726 L HN 0.345 nan 8.230 nan 0.000 0.475 727 S N 1.690 117.411 115.700 0.035 0.000 2.499 727 S HA 0.269 4.747 4.470 0.014 0.000 0.275 727 S C 0.572 175.193 174.600 0.035 0.000 1.257 727 S CA -0.730 57.493 58.200 0.037 0.000 1.050 727 S CB 0.954 64.181 63.200 0.046 0.000 0.937 727 S HN 0.488 nan 8.310 nan 0.000 0.490 728 V N 2.403 122.335 119.914 0.030 0.000 3.477 728 V HA 0.337 4.465 4.120 0.014 0.000 0.297 728 V C 0.781 176.892 176.094 0.028 0.000 1.433 728 V CA 0.276 62.593 62.300 0.028 0.000 1.052 728 V CB -0.706 31.130 31.823 0.022 0.000 0.895 728 V HN 0.886 nan 8.190 nan 0.000 0.438 729 T N 0.569 115.141 114.554 0.031 0.000 2.870 729 T HA 0.551 4.909 4.350 0.014 0.000 0.300 729 T C -0.395 174.326 174.700 0.035 0.000 0.989 729 T CA -0.142 61.977 62.100 0.031 0.000 1.139 729 T CB 1.207 70.095 68.868 0.032 0.000 0.920 729 T HN 0.248 nan 8.240 nan 0.000 0.537 730 L N 5.385 126.628 121.223 0.033 0.000 2.349 730 L HA 0.441 4.790 4.340 0.014 0.000 0.275 730 L C -1.433 175.462 176.870 0.041 0.000 1.115 730 L CA -1.463 53.398 54.840 0.036 0.000 0.820 730 L CB 0.297 42.374 42.059 0.031 0.000 1.135 730 L HN 0.687 nan 8.230 nan 0.000 0.445 731 P HA 0.212 nan 4.420 nan 0.000 0.271 731 P C -0.876 176.459 177.300 0.059 0.000 1.244 731 P CA -0.622 62.510 63.100 0.054 0.000 0.793 731 P CB 0.318 32.053 31.700 0.059 0.000 0.984 732 A N 0.727 123.590 122.820 0.071 0.000 2.555 732 A HA 0.381 4.710 4.320 0.014 0.000 0.233 732 A C 0.662 178.315 177.584 0.115 0.000 1.060 732 A CA 0.194 52.289 52.037 0.098 0.000 0.759 732 A CB -0.725 18.348 19.000 0.122 0.000 0.995 732 A HN 0.695 nan 8.150 nan 0.000 0.506 733 A N 2.343 125.224 122.820 0.102 0.000 2.511 733 A HA 0.394 4.722 4.320 0.014 0.000 0.242 733 A C 0.938 178.611 177.584 0.148 0.000 1.069 733 A CA 0.295 52.367 52.037 0.059 0.000 0.763 733 A CB -0.235 18.740 19.000 -0.042 0.000 1.001 733 A HN 1.129 nan 8.150 nan 0.000 0.498 734 S N 1.963 117.725 115.700 0.104 0.000 2.711 734 S HA 0.045 4.523 4.470 0.014 0.000 0.335 734 S C 1.042 175.734 174.600 0.154 0.000 1.175 734 S CA -0.143 58.136 58.200 0.131 0.000 1.372 734 S CB -0.624 62.617 63.200 0.068 0.000 1.337 734 S HN 0.777 nan 8.310 nan 0.000 0.572 735 H N 2.650 121.728 119.070 0.013 0.000 2.254 735 H HA 0.010 4.575 4.556 0.014 0.000 0.294 735 H C 1.496 176.828 175.328 0.007 0.000 1.071 735 H CA 1.604 57.658 56.048 0.010 0.000 1.228 735 H CB -0.659 29.109 29.762 0.009 0.000 1.358 735 H HN 0.654 nan 8.280 nan 0.000 0.495 736 A N 0.775 123.673 122.820 0.130 0.000 2.450 736 A HA 0.556 4.884 4.320 0.014 0.000 0.281 736 A C -0.047 177.560 177.584 0.038 0.000 1.372 736 A CA -0.245 51.826 52.037 0.057 0.000 0.886 736 A CB 0.520 19.533 19.000 0.022 0.000 1.462 736 A HN 0.391 nan 8.150 nan 0.000 0.514 737 I N 0.231 120.805 120.570 0.008 0.000 2.563 737 I HA 0.392 4.571 4.170 0.014 0.000 0.285 737 I C -2.995 173.109 176.117 -0.021 0.000 1.123 737 I CA -2.176 59.137 61.300 0.023 0.000 1.059 737 I CB 1.903 39.944 38.000 0.069 0.000 1.229 737 I HN 0.298 nan 8.210 nan 0.000 0.442 738 P HA 0.268 nan 4.420 nan 0.000 0.272 738 P C -1.174 176.215 177.300 0.148 0.000 1.223 738 P CA 0.358 63.448 63.100 -0.017 0.000 0.784 738 P CB 0.381 32.067 31.700 -0.024 0.000 0.923 739 H N 0.237 119.334 119.070 0.045 0.000 2.457 739 H HA 0.485 5.049 4.556 0.014 0.000 0.335 739 H C -0.563 174.794 175.328 0.047 0.000 1.115 739 H CA -1.074 54.995 56.048 0.035 0.000 1.219 739 H CB 1.542 31.327 29.762 0.039 0.000 1.471 739 H HN 0.259 nan 8.280 nan 0.000 0.491 740 L N 2.477 123.790 121.223 0.150 0.000 2.307 740 L HA 0.360 4.708 4.340 0.014 0.000 0.284 740 L C -0.593 176.330 176.870 0.090 0.000 1.023 740 L CA -0.058 54.840 54.840 0.096 0.000 0.810 740 L CB 1.638 43.702 42.059 0.009 0.000 1.231 740 L HN 0.562 nan 8.230 nan 0.000 0.423 741 T N 3.303 117.935 114.554 0.130 0.000 2.812 741 T HA 0.527 4.885 4.350 0.014 0.000 0.282 741 T C -0.369 174.436 174.700 0.174 0.000 0.990 741 T CA -0.380 61.790 62.100 0.118 0.000 0.960 741 T CB 1.214 70.142 68.868 0.100 0.000 0.948 741 T HN 0.668 nan 8.240 nan 0.000 0.438 742 T N 2.845 117.497 114.554 0.162 0.000 2.895 742 T HA 0.752 5.111 4.350 0.014 0.000 0.283 742 T C -0.064 174.690 174.700 0.091 0.000 1.014 742 T CA -0.724 61.501 62.100 0.208 0.000 1.037 742 T CB 1.331 70.339 68.868 0.234 0.000 1.006 742 T HN 0.723 nan 8.240 nan 0.000 0.468 743 S N 0.667 116.380 115.700 0.022 0.000 2.651 743 S HA 0.422 4.901 4.470 0.014 0.000 0.279 743 S C 0.784 175.336 174.600 -0.080 0.000 1.148 743 S CA -0.872 57.319 58.200 -0.015 0.000 0.837 743 S CB 1.775 64.972 63.200 -0.005 0.000 1.138 743 S HN 0.747 nan 8.310 nan 0.000 0.478 744 E N -0.400 119.762 120.200 -0.064 0.000 2.204 744 E HA -0.176 4.183 4.350 0.014 0.000 0.195 744 E C 1.395 177.913 176.600 -0.137 0.000 0.990 744 E CA 1.234 57.579 56.400 -0.091 0.000 0.821 744 E CB -0.107 29.562 29.700 -0.051 0.000 0.750 744 E HN 0.611 nan 8.360 nan 0.000 0.477 745 M N 0.445 119.981 119.600 -0.107 0.000 2.394 745 M HA 0.113 4.601 4.480 0.014 0.000 0.266 745 M C -0.400 175.826 176.300 -0.123 0.000 1.098 745 M CA 0.941 56.186 55.300 -0.093 0.000 1.149 745 M CB 0.697 33.277 32.600 -0.034 0.000 1.369 745 M HN -0.150 nan 8.290 nan 0.000 0.450 746 D N -1.525 118.790 120.400 -0.142 0.000 2.596 746 D HA 0.289 4.938 4.640 0.014 0.000 0.234 746 D C -1.476 174.753 176.300 -0.119 0.000 1.181 746 D CA -0.324 53.617 54.000 -0.098 0.000 0.856 746 D CB 1.657 42.490 40.800 0.056 0.000 1.498 746 D HN -0.004 nan 8.370 nan 0.000 0.446 747 F N 0.852 120.885 119.950 0.139 0.000 2.449 747 F HA 0.356 4.891 4.527 0.014 0.000 0.342 747 F C 0.054 175.985 175.800 0.219 0.000 1.127 747 F CA -0.784 57.291 58.000 0.126 0.000 0.975 747 F CB 1.481 40.511 39.000 0.050 0.000 1.146 747 F HN 0.055 nan 8.300 nan 0.000 0.444 748 C N 5.219 124.739 119.300 0.367 0.000 2.379 748 C HA 0.684 5.152 4.460 0.014 0.000 0.323 748 C C -0.053 175.112 174.990 0.291 0.000 1.262 748 C CA -0.866 58.344 59.018 0.320 0.000 1.581 748 C CB 0.567 28.435 27.740 0.213 0.000 2.221 748 C HN 0.615 nan 8.230 nan 0.000 0.497 749 I N 2.900 123.686 120.570 0.360 0.000 2.433 749 I HA 0.477 4.655 4.170 0.014 0.000 0.292 749 I C -0.221 176.147 176.117 0.418 0.000 1.001 749 I CA -0.201 61.291 61.300 0.320 0.000 1.119 749 I CB 1.564 39.710 38.000 0.244 0.000 1.289 749 I HN 0.629 nan 8.210 nan 0.000 0.438 750 E N 6.159 126.534 120.200 0.292 0.000 2.238 750 E HA 0.694 5.052 4.350 0.014 0.000 0.267 750 E C -1.785 174.937 176.600 0.203 0.000 0.887 750 E CA -0.851 55.699 56.400 0.250 0.000 0.769 750 E CB 2.655 32.425 29.700 0.116 0.000 1.187 750 E HN 0.498 nan 8.360 nan 0.000 0.416 751 L N 4.960 126.325 121.223 0.237 0.000 2.611 751 L HA 0.532 4.880 4.340 0.014 0.000 0.263 751 L C 0.067 176.985 176.870 0.080 0.000 0.969 751 L CA 0.689 55.618 54.840 0.149 0.000 0.894 751 L CB 1.186 43.389 42.059 0.241 0.000 1.229 751 L HN 0.790 nan 8.230 nan 0.000 0.416 752 G N 4.428 113.227 108.800 -0.001 0.000 2.591 752 G HA2 -0.403 3.565 3.960 0.014 0.000 0.298 752 G HA3 -0.403 3.565 3.960 0.014 0.000 0.298 752 G C 0.285 175.165 174.900 -0.033 0.000 1.195 752 G CA 0.593 45.683 45.100 -0.018 0.000 0.989 752 G HN 1.405 nan 8.290 nan 0.000 0.551 753 N N 1.092 119.762 118.700 -0.050 0.000 2.376 753 N HA 0.291 5.040 4.740 0.014 0.000 0.249 753 N C -0.028 175.414 175.510 -0.113 0.000 1.140 753 N CA 0.251 53.256 53.050 -0.076 0.000 0.870 753 N CB 0.576 39.018 38.487 -0.074 0.000 1.124 753 N HN 0.680 nan 8.380 nan 0.000 0.505 754 K N 0.740 121.065 120.400 -0.125 0.000 2.292 754 K HA 0.462 4.791 4.320 0.014 0.000 0.257 754 K C -0.406 176.006 176.600 -0.313 0.000 0.940 754 K CA -0.674 55.419 56.287 -0.322 0.000 0.811 754 K CB 1.838 34.054 32.500 -0.473 0.000 1.120 754 K HN 0.241 nan 8.250 nan 0.000 0.428 755 R N 2.132 122.420 120.500 -0.353 0.000 2.744 755 R HA 0.495 4.843 4.340 0.014 0.000 0.279 755 R C -1.073 175.207 176.300 -0.032 0.000 0.977 755 R CA -1.018 55.074 56.100 -0.015 0.000 0.906 755 R CB 1.809 32.132 30.300 0.039 0.000 1.197 755 R HN 0.481 nan 8.270 nan 0.000 0.463 756 W N 1.766 123.189 121.300 0.206 0.000 2.900 756 W HA 0.300 4.968 4.660 0.014 0.000 0.336 756 W C -0.678 175.928 176.519 0.145 0.000 1.064 756 W CA -0.604 56.787 57.345 0.076 0.000 1.237 756 W CB 2.520 32.006 29.460 0.044 0.000 1.391 756 W HN 0.529 nan 8.180 nan 0.000 0.468 757 Q N 2.844 122.773 119.800 0.216 0.000 2.331 757 Q HA 0.462 4.810 4.340 0.014 0.000 0.267 757 Q C -1.806 174.166 176.000 -0.047 0.000 1.006 757 Q CA -0.489 55.440 55.803 0.209 0.000 0.818 757 Q CB 1.397 30.312 28.738 0.296 0.000 1.276 757 Q HN 0.342 nan 8.270 nan 0.000 0.450 758 F N 2.683 122.713 119.950 0.133 0.000 2.426 758 F HA 0.322 4.858 4.527 0.014 0.000 0.348 758 F C 0.564 176.389 175.800 0.042 0.000 1.124 758 F CA -0.906 57.138 58.000 0.074 0.000 1.008 758 F CB 1.262 40.304 39.000 0.069 0.000 1.139 758 F HN 0.481 nan 8.300 nan 0.000 0.452 759 N N 3.400 122.213 118.700 0.188 0.000 2.430 759 N HA 0.110 4.858 4.740 0.014 0.000 0.265 759 N C 0.797 176.325 175.510 0.029 0.000 1.100 759 N CA -0.045 53.058 53.050 0.089 0.000 0.961 759 N CB 0.813 39.362 38.487 0.103 0.000 1.075 759 N HN 0.681 nan 8.380 nan 0.000 0.478 760 R N 2.359 122.806 120.500 -0.088 0.000 2.236 760 R HA -0.069 4.280 4.340 0.014 0.000 0.208 760 R C 1.680 177.919 176.300 -0.102 0.000 1.036 760 R CA 0.683 56.681 56.100 -0.170 0.000 1.001 760 R CB 0.145 30.217 30.300 -0.381 0.000 0.896 760 R HN 0.663 nan 8.270 nan 0.000 0.464 761 Q N 0.716 120.485 119.800 -0.052 0.000 2.123 761 Q HA -0.072 4.277 4.340 0.014 0.000 0.196 761 Q C 1.882 177.879 176.000 -0.005 0.000 0.958 761 Q CA 1.650 57.436 55.803 -0.028 0.000 0.841 761 Q CB 0.259 28.995 28.738 -0.004 0.000 0.915 761 Q HN 0.301 nan 8.270 nan 0.000 0.455 762 S N -1.770 113.954 115.700 0.039 0.000 2.470 762 S HA 0.223 4.701 4.470 0.014 0.000 0.222 762 S C 1.450 176.012 174.600 -0.064 0.000 1.024 762 S CA 0.555 58.813 58.200 0.098 0.000 0.931 762 S CB 0.402 63.761 63.200 0.265 0.000 0.791 762 S HN 0.687 nan 8.310 nan 0.000 0.513 763 G N 0.481 109.234 108.800 -0.077 0.000 2.136 763 G HA2 -0.221 3.748 3.960 0.014 0.000 0.242 763 G HA3 -0.221 3.748 3.960 0.014 0.000 0.242 763 G C -0.126 174.666 174.900 -0.180 0.000 0.989 763 G CA 0.247 45.263 45.100 -0.139 0.000 0.682 763 G HN 0.533 nan 8.290 nan 0.000 0.522 764 F N -1.078 119.055 119.950 0.305 0.000 2.507 764 F HA 0.635 5.170 4.527 0.014 0.000 0.327 764 F C 0.612 176.453 175.800 0.068 0.000 1.068 764 F CA -1.407 56.731 58.000 0.230 0.000 0.965 764 F CB 1.515 40.605 39.000 0.149 0.000 1.192 764 F HN 0.014 nan 8.300 nan 0.000 0.476 765 L N 2.534 123.804 121.223 0.078 0.000 2.638 765 L HA 0.074 4.423 4.340 0.014 0.000 0.273 765 L C 1.161 177.926 176.870 -0.175 0.000 1.147 765 L CA 0.512 55.050 54.840 -0.503 0.000 0.941 765 L CB 0.201 41.932 42.059 -0.547 0.000 1.251 765 L HN 0.734 nan 8.230 nan 0.000 0.479 766 S N 2.710 118.312 115.700 -0.163 0.000 2.486 766 S HA 0.189 4.668 4.470 0.014 0.000 0.220 766 S C 0.632 175.104 174.600 -0.213 0.000 1.011 766 S CA 0.120 58.263 58.200 -0.095 0.000 0.921 766 S CB 0.094 63.289 63.200 -0.008 0.000 0.785 766 S HN 0.707 nan 8.310 nan 0.000 0.517 767 Q N -0.343 119.263 119.800 -0.323 0.000 2.578 767 Q HA 0.667 5.016 4.340 0.014 0.000 0.284 767 Q C -2.022 173.606 176.000 -0.620 0.000 0.960 767 Q CA -0.321 55.152 55.803 -0.550 0.000 0.809 767 Q CB 1.690 29.980 28.738 -0.746 0.000 1.462 767 Q HN 0.464 nan 8.270 nan 0.000 0.392 768 M N 1.327 120.454 119.600 -0.790 0.000 2.484 768 M HA 0.625 5.114 4.480 0.014 0.000 0.289 768 M C -1.401 174.518 176.300 -0.636 0.000 1.206 768 M CA -0.436 54.489 55.300 -0.626 0.000 0.892 768 M CB 2.341 34.541 32.600 -0.666 0.000 1.712 768 M HN 0.469 nan 8.290 nan 0.000 0.462 769 W N 2.481 123.548 121.300 -0.389 0.000 2.950 769 W HA 0.692 5.360 4.660 0.014 0.000 0.340 769 W C -1.410 174.905 176.519 -0.339 0.000 1.139 769 W CA -0.737 56.436 57.345 -0.287 0.000 1.188 769 W CB 1.732 31.072 29.460 -0.200 0.000 1.426 769 W HN 0.465 nan 8.180 nan 0.000 0.531 770 I N 2.032 122.605 120.570 0.005 0.000 2.418 770 I HA 0.483 4.661 4.170 0.014 0.000 0.287 770 I C 0.797 176.892 176.117 -0.037 0.000 1.008 770 I CA 0.255 61.496 61.300 -0.097 0.000 1.104 770 I CB 1.269 39.188 38.000 -0.135 0.000 1.264 770 I HN 0.726 nan 8.210 nan 0.000 0.438 771 G N 5.381 114.146 108.800 -0.059 0.000 2.574 771 G HA2 -0.333 3.635 3.960 0.014 0.000 0.286 771 G HA3 -0.333 3.635 3.960 0.014 0.000 0.286 771 G C 0.100 174.981 174.900 -0.032 0.000 1.212 771 G CA 0.679 45.747 45.100 -0.053 0.000 0.979 771 G HN 0.755 nan 8.290 nan 0.000 0.557 772 D N 0.585 120.978 120.400 -0.012 0.000 2.340 772 D HA 0.325 4.973 4.640 0.014 0.000 0.217 772 D C 0.805 177.209 176.300 0.173 0.000 1.081 772 D CA 0.564 54.577 54.000 0.021 0.000 0.842 772 D CB 0.421 41.215 40.800 -0.011 0.000 0.934 772 D HN 0.597 nan 8.370 nan 0.000 0.511 773 K N 1.651 122.131 120.400 0.134 0.000 2.262 773 K HA 0.173 4.501 4.320 0.014 0.000 0.282 773 K C -0.314 176.322 176.600 0.060 0.000 1.066 773 K CA -0.673 55.670 56.287 0.093 0.000 0.901 773 K CB 0.636 33.137 32.500 0.002 0.000 1.089 773 K HN -0.214 nan 8.250 nan 0.000 0.476 774 K N 3.121 123.503 120.400 -0.030 0.000 2.448 774 K HA -0.018 4.310 4.320 0.014 0.000 0.278 774 K C 0.560 177.003 176.600 -0.262 0.000 1.009 774 K CA -0.011 56.054 56.287 -0.370 0.000 0.995 774 K CB 0.792 33.077 32.500 -0.359 0.000 0.917 774 K HN 0.605 nan 8.250 nan 0.000 0.481 775 Q N 1.676 121.272 119.800 -0.339 0.000 2.350 775 Q HA 0.182 4.530 4.340 0.014 0.000 0.225 775 Q C 0.052 175.969 176.000 -0.139 0.000 0.878 775 Q CA 0.432 56.140 55.803 -0.158 0.000 0.935 775 Q CB 0.574 29.253 28.738 -0.098 0.000 1.099 775 Q HN 0.499 nan 8.270 nan 0.000 0.527 776 L N 0.723 121.797 121.223 -0.248 0.000 2.365 776 L HA 0.388 4.737 4.340 0.014 0.000 0.273 776 L C 0.867 177.605 176.870 -0.219 0.000 1.000 776 L CA -0.391 54.325 54.840 -0.206 0.000 0.819 776 L CB 1.833 43.760 42.059 -0.220 0.000 1.284 776 L HN -0.092 nan 8.230 nan 0.000 0.418 777 L N 0.368 121.455 121.223 -0.225 0.000 2.354 777 L HA 0.210 4.558 4.340 0.014 0.000 0.212 777 L C 0.217 176.966 176.870 -0.203 0.000 1.091 777 L CA 0.767 55.480 54.840 -0.212 0.000 0.828 777 L CB 0.215 42.144 42.059 -0.218 0.000 0.973 777 L HN 0.604 nan 8.230 nan 0.000 0.461 778 T N 0.018 114.417 114.554 -0.258 0.000 2.916 778 T HA 0.406 4.764 4.350 0.014 0.000 0.298 778 T C -2.565 172.047 174.700 -0.148 0.000 1.031 778 T CA -1.198 60.794 62.100 -0.180 0.000 0.993 778 T CB 2.442 71.168 68.868 -0.237 0.000 1.045 778 T HN -0.268 nan 8.240 nan 0.000 0.454 779 P HA 0.155 nan 4.420 nan 0.000 0.270 779 P C -0.603 176.662 177.300 -0.058 0.000 1.227 779 P CA -0.733 62.332 63.100 -0.059 0.000 0.788 779 P CB 0.421 32.121 31.700 0.001 0.000 0.926 780 L N 2.838 124.069 121.223 0.013 0.000 2.315 780 L HA 0.285 4.633 4.340 0.014 0.000 0.283 780 L C 0.107 176.950 176.870 -0.044 0.000 1.089 780 L CA 0.565 55.446 54.840 0.068 0.000 0.833 780 L CB -0.477 41.732 42.059 0.250 0.000 1.170 780 L HN 0.289 nan 8.230 nan 0.000 0.442 781 R N 2.846 123.219 120.500 -0.211 0.000 2.837 781 R HA 0.434 4.782 4.340 0.014 0.000 0.271 781 R C -1.021 175.142 176.300 -0.229 0.000 0.993 781 R CA -1.070 54.708 56.100 -0.537 0.000 0.931 781 R CB 1.262 31.081 30.300 -0.803 0.000 1.206 781 R HN 0.571 nan 8.270 nan 0.000 0.474 782 D N 1.371 121.711 120.400 -0.101 0.000 2.449 782 D HA -0.006 4.642 4.640 0.014 0.000 0.236 782 D C -0.392 175.570 176.300 -0.562 0.000 1.149 782 D CA 0.662 54.498 54.000 -0.273 0.000 0.878 782 D CB 0.632 41.282 40.800 -0.250 0.000 1.198 782 D HN 0.203 nan 8.370 nan 0.000 0.446 783 Q N 1.338 120.607 119.800 -0.885 0.000 2.304 783 Q HA 0.352 4.700 4.340 0.014 0.000 0.270 783 Q C -1.091 174.128 176.000 -1.303 0.000 1.035 783 Q CA -0.596 54.712 55.803 -0.826 0.000 0.781 783 Q CB 0.837 29.300 28.738 -0.458 0.000 1.261 783 Q HN 0.570 nan 8.270 nan 0.000 0.444 784 F N 0.585 120.166 119.950 -0.615 0.000 2.706 784 F HA 0.185 4.720 4.527 0.014 0.000 0.313 784 F C 0.749 176.112 175.800 -0.728 0.000 1.096 784 F CA -0.148 57.352 58.000 -0.834 0.000 1.219 784 F CB 1.519 39.697 39.000 -1.369 0.000 1.051 784 F HN 0.474 nan 8.300 nan 0.000 0.568 785 T N -0.773 113.479 114.554 -0.504 0.000 2.907 785 T HA 0.744 5.102 4.350 0.014 0.000 0.290 785 T C -0.583 173.893 174.700 -0.373 0.000 1.066 785 T CA -0.987 60.770 62.100 -0.573 0.000 1.012 785 T CB 2.647 71.136 68.868 -0.630 0.000 1.184 785 T HN 0.218 nan 8.240 nan 0.000 0.522 786 R N -0.059 120.275 120.500 -0.277 0.000 2.795 786 R HA 0.777 5.125 4.340 0.014 0.000 0.275 786 R C -0.760 175.622 176.300 0.136 0.000 0.981 786 R CA -1.229 54.831 56.100 -0.067 0.000 0.917 786 R CB 1.565 31.826 30.300 -0.064 0.000 1.202 786 R HN 0.818 nan 8.270 nan 0.000 0.469 787 A N 3.434 126.308 122.820 0.090 0.000 2.484 787 A HA 0.288 4.616 4.320 0.014 0.000 0.268 787 A C -2.014 175.650 177.584 0.134 0.000 1.114 787 A CA -1.331 50.750 52.037 0.073 0.000 0.780 787 A CB -0.482 18.510 19.000 -0.013 0.000 1.061 787 A HN 0.545 nan 8.150 nan 0.000 0.505 788 P HA 0.093 nan 4.420 nan 0.000 0.264 788 P C -0.235 177.195 177.300 0.215 0.000 1.193 788 P CA 0.416 63.685 63.100 0.282 0.000 0.763 788 P CB 0.340 32.217 31.700 0.295 0.000 0.810 789 L N 2.590 123.912 121.223 0.164 0.000 2.466 789 L HA 0.146 4.495 4.340 0.014 0.000 0.257 789 L C 1.813 178.735 176.870 0.087 0.000 1.189 789 L CA -0.430 54.453 54.840 0.071 0.000 0.813 789 L CB 0.021 42.055 42.059 -0.041 0.000 1.118 789 L HN 0.294 nan 8.230 nan 0.000 0.471 790 D N 0.428 120.847 120.400 0.032 0.000 2.158 790 D HA -0.171 4.478 4.640 0.014 0.000 0.197 790 D C 1.611 177.906 176.300 -0.009 0.000 0.995 790 D CA 1.411 55.386 54.000 -0.041 0.000 0.846 790 D CB 0.021 40.767 40.800 -0.090 0.000 0.941 790 D HN 0.470 nan 8.370 nan 0.000 0.456 791 N N 0.907 119.601 118.700 -0.011 0.000 2.309 791 N HA -0.105 4.643 4.740 0.014 0.000 0.182 791 N C 1.168 176.697 175.510 0.032 0.000 1.018 791 N CA 0.687 53.737 53.050 0.000 0.000 0.876 791 N CB -0.132 38.343 38.487 -0.019 0.000 0.972 791 N HN 0.262 nan 8.380 nan 0.000 0.434 792 D N 0.617 121.056 120.400 0.065 0.000 2.183 792 D HA 0.032 4.680 4.640 0.014 0.000 0.203 792 D C 2.034 178.368 176.300 0.056 0.000 0.969 792 D CA 0.349 54.410 54.000 0.101 0.000 0.842 792 D CB 0.039 40.976 40.800 0.228 0.000 0.957 792 D HN 0.291 nan 8.370 nan 0.000 0.484 793 I N 0.951 121.549 120.570 0.047 0.000 2.353 793 I HA -0.107 4.072 4.170 0.014 0.000 0.248 793 I C 0.811 176.910 176.117 -0.030 0.000 1.119 793 I CA 0.512 61.816 61.300 0.008 0.000 1.417 793 I CB -0.194 37.794 38.000 -0.020 0.000 1.078 793 I HN -0.087 nan 8.210 nan 0.000 0.421 794 A N 1.121 123.927 122.820 -0.023 0.000 2.416 794 A HA -0.133 4.196 4.320 0.014 0.000 0.293 794 A C -0.193 177.375 177.584 -0.026 0.000 1.452 794 A CA 0.247 52.271 52.037 -0.022 0.000 0.738 794 A CB -2.030 16.940 19.000 -0.050 0.000 1.123 794 A HN 0.159 nan 8.150 nan 0.000 0.389 795 V N 1.331 121.217 119.914 -0.046 0.000 2.588 795 V HA 0.646 4.774 4.120 0.014 0.000 0.304 795 V C 1.070 177.000 176.094 -0.273 0.000 1.042 795 V CA 0.222 62.447 62.300 -0.126 0.000 0.877 795 V CB 2.079 33.821 31.823 -0.136 0.000 0.996 795 V HN 1.344 nan 8.190 nan 0.000 0.425 796 S N 2.210 117.608 115.700 -0.504 0.000 2.526 796 S HA 0.410 4.888 4.470 0.014 0.000 0.220 796 S C 0.247 174.248 174.600 -0.998 0.000 1.017 796 S CA -0.331 57.120 58.200 -1.247 0.000 0.930 796 S CB 0.442 62.842 63.200 -1.334 0.000 0.856 796 S HN 0.731 nan 8.310 nan 0.000 0.497 802 D N 8.860 129.211 120.400 -0.081 0.000 2.373 802 D HA 0.404 5.053 4.640 0.014 0.000 0.227 802 D C -1.582 174.654 176.300 -0.107 0.000 1.091 802 D CA -2.069 51.879 54.000 -0.086 0.000 0.840 802 D CB 2.066 42.818 40.800 -0.081 0.000 1.060 802 D HN 0.169 nan 8.370 nan 0.000 0.502 803 P HA -0.090 nan 4.420 nan 0.000 0.225 803 P C 0.682 177.878 177.300 -0.174 0.000 1.148 803 P CA 0.615 63.644 63.100 -0.117 0.000 0.779 803 P CB 0.361 32.004 31.700 -0.095 0.000 0.780 804 N N -0.303 118.281 118.700 -0.192 0.000 2.461 804 N HA 0.066 4.815 4.740 0.014 0.000 0.188 804 N C 0.608 175.886 175.510 -0.387 0.000 1.134 804 N CA 0.001 52.884 53.050 -0.279 0.000 0.878 804 N CB 0.084 38.425 38.487 -0.243 0.000 0.972 804 N HN 0.105 nan 8.380 nan 0.000 0.456 805 A N 0.039 122.681 122.820 -0.297 0.000 2.498 805 A HA 0.004 4.333 4.320 0.014 0.000 0.239 805 A C 0.768 178.084 177.584 -0.447 0.000 1.068 805 A CA -0.298 51.555 52.037 -0.306 0.000 0.766 805 A CB 0.028 18.928 19.000 -0.166 0.000 1.003 805 A HN 0.341 nan 8.150 nan 0.000 0.497 806 W N 1.750 122.772 121.300 -0.463 0.000 2.318 806 W HA -0.190 4.478 4.660 0.013 0.000 0.313 806 W C 2.219 178.116 176.519 -1.036 0.000 1.221 806 W CA 1.736 58.514 57.345 -0.944 0.000 1.266 806 W CB -0.431 28.353 29.460 -1.127 0.000 1.150 806 W HN 0.545 nan 8.180 nan 0.000 0.496 807 V N 0.764 120.503 119.914 -0.292 0.000 2.392 807 V HA -0.264 3.864 4.120 0.014 0.000 0.249 807 V C 2.212 178.346 176.094 0.068 0.000 1.059 807 V CA 2.049 64.383 62.300 0.056 0.000 1.051 807 V CB -0.379 31.542 31.823 0.163 0.000 0.658 807 V HN 0.079 nan 8.190 nan 0.000 0.455 808 E N 0.169 120.324 120.200 -0.075 0.000 2.047 808 E HA -0.194 4.164 4.350 0.014 0.000 0.191 808 E C 2.344 178.897 176.600 -0.079 0.000 0.987 808 E CA 1.410 57.771 56.400 -0.065 0.000 0.799 808 E CB -0.350 29.281 29.700 -0.114 0.000 0.752 808 E HN 0.633 nan 8.360 nan 0.000 0.449 809 R N -0.184 120.192 120.500 -0.207 0.000 2.073 809 R HA -0.124 4.225 4.340 0.014 0.000 0.234 809 R C 2.387 178.618 176.300 -0.114 0.000 1.134 809 R CA 1.403 57.367 56.100 -0.227 0.000 0.952 809 R CB -0.295 29.755 30.300 -0.417 0.000 0.850 809 R HN 0.251 nan 8.270 nan 0.000 0.433 810 W N 1.614 122.869 121.300 -0.075 0.000 2.358 810 W HA -0.087 4.581 4.660 0.014 0.000 0.303 810 W C 1.998 178.481 176.519 -0.060 0.000 1.208 810 W CA 0.717 57.928 57.345 -0.224 0.000 1.274 810 W CB -0.694 28.760 29.460 -0.010 0.000 1.138 810 W HN 0.089 nan 8.180 nan 0.000 0.515 811 K N 0.246 120.854 120.400 0.347 0.000 2.002 811 K HA -0.082 4.247 4.320 0.014 0.000 0.209 811 K C 2.335 178.995 176.600 0.100 0.000 1.048 811 K CA 1.968 58.420 56.287 0.276 0.000 0.930 811 K CB -0.767 31.845 32.500 0.186 0.000 0.714 811 K HN -0.030 nan 8.250 nan 0.000 0.438 812 A N 0.863 123.713 122.820 0.049 0.000 2.024 812 A HA -0.096 4.232 4.320 0.014 0.000 0.220 812 A C 2.126 179.709 177.584 -0.001 0.000 1.164 812 A CA 1.851 53.899 52.037 0.018 0.000 0.643 812 A CB -0.591 18.405 19.000 -0.008 0.000 0.806 812 A HN 0.341 nan 8.150 nan 0.000 0.451 813 A N -2.112 120.683 122.820 -0.042 0.000 2.251 813 A HA 0.428 4.756 4.320 0.014 0.000 0.209 813 A C 1.766 179.293 177.584 -0.096 0.000 1.187 813 A CA 1.132 53.155 52.037 -0.025 0.000 0.823 813 A CB -0.760 18.197 19.000 -0.072 0.000 0.846 813 A HN 1.832 nan 8.150 nan 0.000 0.486 814 G N -1.332 107.302 108.800 -0.276 0.000 2.176 814 G HA2 -0.319 3.649 3.960 0.014 0.000 0.253 814 G HA3 -0.319 3.649 3.960 0.014 0.000 0.253 814 G C 0.692 175.554 174.900 -0.064 0.000 0.979 814 G CA 0.691 45.380 45.100 -0.686 0.000 0.641 814 G HN 0.730 nan 8.290 nan 0.000 0.530 815 H N -1.249 117.783 119.070 -0.064 0.000 2.353 815 H HA -0.134 4.430 4.556 0.014 0.000 0.298 815 H C 2.216 177.510 175.328 -0.057 0.000 1.103 815 H CA 1.707 57.734 56.048 -0.035 0.000 1.293 815 H CB 0.012 29.684 29.762 -0.150 0.000 1.372 815 H HN 0.603 nan 8.280 nan 0.000 0.501 816 Y N 0.317 120.745 120.300 0.213 0.000 2.516 816 Y HA -0.088 4.470 4.550 0.014 0.000 0.291 816 Y C 1.847 177.831 175.900 0.140 0.000 1.131 816 Y CA 0.560 58.748 58.100 0.146 0.000 1.281 816 Y CB 0.415 38.946 38.460 0.119 0.000 1.013 816 Y HN 0.168 nan 8.280 nan 0.000 0.554 817 Q N -0.353 119.596 119.800 0.249 0.000 2.217 817 Q HA 0.311 4.660 4.340 0.014 0.000 0.217 817 Q C 0.456 176.631 176.000 0.292 0.000 0.844 817 Q CA -0.166 55.782 55.803 0.242 0.000 0.957 817 Q CB 0.795 29.669 28.738 0.225 0.000 1.127 817 Q HN 0.255 nan 8.270 nan 0.000 0.503 818 A N 1.244 124.258 122.820 0.324 0.000 2.511 818 A HA 0.128 4.456 4.320 0.014 0.000 0.242 818 A C -0.042 177.814 177.584 0.453 0.000 1.069 818 A CA 0.137 52.427 52.037 0.421 0.000 0.763 818 A CB 0.319 19.632 19.000 0.521 0.000 1.001 818 A HN 0.030 nan 8.150 nan 0.000 0.498 819 E N 0.815 121.189 120.200 0.290 0.000 2.166 819 E HA 0.500 4.858 4.350 0.014 0.000 0.275 819 E C -0.107 176.409 176.600 -0.140 0.000 0.941 819 E CA -0.303 56.183 56.400 0.143 0.000 0.784 819 E CB 1.834 31.600 29.700 0.111 0.000 1.115 819 E HN 0.736 nan 8.360 nan 0.000 0.399 820 A N 2.234 124.855 122.820 -0.331 0.000 2.450 820 A HA 0.536 4.864 4.320 0.014 0.000 0.255 820 A C -0.087 177.341 177.584 -0.260 0.000 1.096 820 A CA -0.078 51.501 52.037 -0.763 0.000 0.778 820 A CB 0.277 19.018 19.000 -0.431 0.000 1.031 820 A HN 0.527 nan 8.150 nan 0.000 0.494 821 A N 2.696 125.362 122.820 -0.256 0.000 2.318 821 A HA 0.576 4.904 4.320 0.014 0.000 0.317 821 A C -0.467 177.047 177.584 -0.115 0.000 1.159 821 A CA -0.582 51.389 52.037 -0.110 0.000 0.799 821 A CB 0.543 19.495 19.000 -0.080 0.000 1.194 821 A HN 1.213 nan 8.150 nan 0.000 0.479 822 L N 3.487 124.632 121.223 -0.130 0.000 2.418 822 L HA 0.257 4.605 4.340 0.014 0.000 0.274 822 L C 0.507 177.256 176.870 -0.202 0.000 1.135 822 L CA 0.375 55.047 54.840 -0.281 0.000 0.870 822 L CB 0.061 41.967 42.059 -0.255 0.000 1.154 822 L HN 0.784 nan 8.230 nan 0.000 0.462 823 L N 3.396 124.485 121.223 -0.223 0.000 2.425 823 L HA 0.279 4.628 4.340 0.014 0.000 0.215 823 L C 0.476 177.284 176.870 -0.104 0.000 1.065 823 L CA 0.119 54.889 54.840 -0.116 0.000 0.842 823 L CB 0.022 42.044 42.059 -0.062 0.000 1.033 823 L HN 0.745 nan 8.230 nan 0.000 0.474 824 Q N -0.451 119.262 119.800 -0.144 0.000 2.386 824 Q HA 0.359 4.707 4.340 0.014 0.000 0.274 824 Q C -1.980 173.969 176.000 -0.086 0.000 1.011 824 Q CA -0.589 55.165 55.803 -0.082 0.000 0.867 824 Q CB 2.972 31.687 28.738 -0.039 0.000 1.409 824 Q HN 0.056 nan 8.270 nan 0.000 0.395 825 C N 3.308 122.599 119.300 -0.015 0.000 2.789 825 C HA 0.821 5.289 4.460 0.014 0.000 0.367 825 C C -0.922 174.187 174.990 0.200 0.000 1.062 825 C CA 0.526 59.580 59.018 0.059 0.000 1.297 825 C CB 0.588 28.346 27.740 0.030 0.000 1.794 825 C HN 0.867 nan 8.230 nan 0.000 0.474 826 T N 2.293 116.926 114.554 0.133 0.000 2.865 826 T HA 0.907 5.265 4.350 0.014 0.000 0.294 826 T C -0.624 173.878 174.700 -0.329 0.000 1.119 826 T CA -0.366 61.762 62.100 0.046 0.000 1.007 826 T CB 1.914 70.767 68.868 -0.024 0.000 1.225 826 T HN 1.660 nan 8.240 nan 0.000 0.515 827 A N 1.217 123.622 122.820 -0.692 0.000 2.359 827 A HA 0.736 5.065 4.320 0.014 0.000 0.303 827 A C -1.310 176.006 177.584 -0.448 0.000 1.066 827 A CA -0.682 50.845 52.037 -0.850 0.000 0.730 827 A CB 1.229 19.217 19.000 -1.686 0.000 1.211 827 A HN 0.813 nan 8.150 nan 0.000 0.439 828 D N 1.196 121.411 120.400 -0.308 0.000 2.575 828 D HA 0.590 5.238 4.640 0.014 0.000 0.236 828 D C -0.642 175.566 176.300 -0.154 0.000 1.075 828 D CA 0.156 54.043 54.000 -0.188 0.000 0.860 828 D CB 2.316 43.038 40.800 -0.130 0.000 1.475 828 D HN 0.486 nan 8.370 nan 0.000 0.474 829 T N 1.298 115.787 114.554 -0.108 0.000 2.829 829 T HA 0.594 4.953 4.350 0.014 0.000 0.282 829 T C 0.582 175.249 174.700 -0.054 0.000 0.990 829 T CA -0.659 61.395 62.100 -0.077 0.000 1.028 829 T CB 1.165 70.000 68.868 -0.055 0.000 0.951 829 T HN 0.128 nan 8.240 nan 0.000 0.460 830 L N 1.072 122.269 121.223 -0.042 0.000 2.267 830 L HA 0.626 4.974 4.340 0.014 0.000 0.264 830 L C 1.928 178.791 176.870 -0.012 0.000 1.021 830 L CA -1.409 53.414 54.840 -0.028 0.000 0.861 830 L CB 0.626 42.666 42.059 -0.031 0.000 1.443 830 L HN 0.742 nan 8.230 nan 0.000 0.475 831 A N 0.356 123.173 122.820 -0.006 0.000 1.940 831 A HA -0.176 4.153 4.320 0.014 0.000 0.219 831 A C 0.918 178.509 177.584 0.011 0.000 1.176 831 A CA 2.231 54.270 52.037 0.003 0.000 0.631 831 A CB -0.556 18.445 19.000 0.002 0.000 0.814 831 A HN 0.891 nan 8.150 nan 0.000 0.446 832 D N -3.361 117.044 120.400 0.008 0.000 2.594 832 D HA 0.568 5.216 4.640 0.014 0.000 0.256 832 D C -0.060 176.240 176.300 0.000 0.000 1.393 832 D CA 0.538 54.546 54.000 0.013 0.000 0.797 832 D CB -0.270 40.541 40.800 0.018 0.000 1.110 832 D HN 0.519 nan 8.370 nan 0.000 0.495 833 A N -0.738 122.074 122.820 -0.013 0.000 2.536 833 A HA 0.691 5.019 4.320 0.014 0.000 0.293 833 A C -1.817 175.734 177.584 -0.055 0.000 1.119 833 A CA -0.740 51.273 52.037 -0.040 0.000 0.654 833 A CB 1.323 20.294 19.000 -0.047 0.000 1.291 833 A HN 0.098 nan 8.150 nan 0.000 0.439 834 V N 0.572 120.430 119.914 -0.094 0.000 2.540 834 V HA 0.607 4.735 4.120 0.014 0.000 0.302 834 V C -1.092 174.912 176.094 -0.150 0.000 1.035 834 V CA -0.406 61.820 62.300 -0.124 0.000 0.873 834 V CB 1.353 33.095 31.823 -0.133 0.000 0.992 834 V HN 0.796 nan 8.190 nan 0.000 0.428 835 L N 6.516 127.641 121.223 -0.162 0.000 2.319 835 L HA 0.622 4.970 4.340 0.014 0.000 0.281 835 L C -0.711 176.020 176.870 -0.233 0.000 1.005 835 L CA 0.033 54.782 54.840 -0.152 0.000 0.828 835 L CB 1.150 43.148 42.059 -0.103 0.000 1.227 835 L HN 0.418 nan 8.230 nan 0.000 0.415 836 I N 4.163 124.587 120.570 -0.244 0.000 2.354 836 I HA 0.384 4.562 4.170 0.014 0.000 0.292 836 I C -0.041 176.029 176.117 -0.079 0.000 0.989 836 I CA -0.240 60.856 61.300 -0.340 0.000 1.188 836 I CB 1.671 39.212 38.000 -0.766 0.000 1.342 836 I HN 0.538 nan 8.210 nan 0.000 0.457 837 T N 4.815 119.332 114.554 -0.062 0.000 2.823 837 T HA 0.643 5.001 4.350 0.014 0.000 0.279 837 T C 0.201 174.943 174.700 0.070 0.000 0.998 837 T CA -0.517 61.602 62.100 0.031 0.000 0.994 837 T CB 1.828 70.694 68.868 -0.005 0.000 0.960 837 T HN 0.782 nan 8.240 nan 0.000 0.448 838 T N -0.815 113.818 114.554 0.132 0.000 2.883 838 T HA 0.862 5.221 4.350 0.014 0.000 0.296 838 T C -1.324 173.429 174.700 0.088 0.000 1.117 838 T CA -1.068 61.090 62.100 0.097 0.000 1.006 838 T CB 1.990 70.975 68.868 0.194 0.000 1.191 838 T HN 0.820 nan 8.240 nan 0.000 0.508 839 A N 1.373 124.163 122.820 -0.050 0.000 2.459 839 A HA 0.765 5.094 4.320 0.014 0.000 0.296 839 A C -1.495 175.968 177.584 -0.201 0.000 1.039 839 A CA -0.757 51.283 52.037 0.005 0.000 0.698 839 A CB 0.889 19.900 19.000 0.018 0.000 1.261 839 A HN 1.017 nan 8.150 nan 0.000 0.405 840 H N 0.051 119.185 119.070 0.106 0.000 2.851 840 H HA 0.759 5.324 4.556 0.014 0.000 0.372 840 H C -0.114 175.270 175.328 0.094 0.000 1.158 840 H CA 0.255 56.300 56.048 -0.005 0.000 1.159 840 H CB 2.170 31.877 29.762 -0.092 0.000 1.757 840 H HN 1.005 nan 8.280 nan 0.000 0.546 841 A N 2.075 124.936 122.820 0.069 0.000 2.331 841 A HA 0.410 4.739 4.320 0.014 0.000 0.320 841 A C -1.282 176.300 177.584 -0.003 0.000 1.138 841 A CA -0.683 51.440 52.037 0.143 0.000 0.790 841 A CB 1.006 20.050 19.000 0.073 0.000 1.206 841 A HN 0.588 nan 8.150 nan 0.000 0.470 842 W N 2.029 123.426 121.300 0.162 0.000 2.349 842 W HA 0.451 5.120 4.660 0.014 0.000 0.309 842 W C -0.257 176.269 176.519 0.011 0.000 1.083 842 W CA -0.082 57.348 57.345 0.141 0.000 1.224 842 W CB 1.677 31.259 29.460 0.203 0.000 1.256 842 W HN 0.778 nan 8.180 nan 0.000 0.461 843 Q N 0.947 120.866 119.800 0.199 0.000 2.484 843 Q HA 0.390 4.738 4.340 0.014 0.000 0.285 843 Q C -0.977 175.149 176.000 0.210 0.000 1.097 843 Q CA -0.782 55.102 55.803 0.136 0.000 0.802 843 Q CB 3.593 32.373 28.738 0.070 0.000 1.444 843 Q HN 0.378 nan 8.270 nan 0.000 0.429 844 H N 1.703 120.804 119.070 0.051 0.000 2.934 844 H HA 0.084 4.649 4.556 0.014 0.000 0.340 844 H C -0.754 174.604 175.328 0.050 0.000 1.008 844 H CA -0.172 55.916 56.048 0.067 0.000 1.317 844 H CB 1.072 30.885 29.762 0.085 0.000 1.670 844 H HN 0.636 nan 8.280 nan 0.000 0.516 845 Q N 3.073 122.534 119.800 -0.564 0.000 2.461 845 Q HA -0.205 4.143 4.340 0.014 0.000 0.273 845 Q C 1.081 177.008 176.000 -0.122 0.000 1.163 845 Q CA 1.474 57.076 55.803 -0.335 0.000 0.929 845 Q CB -1.892 26.685 28.738 -0.269 0.000 1.334 845 Q HN 1.192 nan 8.270 nan 0.000 0.499 846 G N -1.171 107.588 108.800 -0.068 0.000 2.217 846 G HA2 -0.363 3.606 3.960 0.014 0.000 0.246 846 G HA3 -0.363 3.606 3.960 0.014 0.000 0.246 846 G C 0.141 175.042 174.900 0.002 0.000 0.990 846 G CA 0.540 45.626 45.100 -0.023 0.000 0.627 846 G HN 0.380 nan 8.290 nan 0.000 0.522 847 K N 1.737 122.147 120.400 0.016 0.000 2.172 847 K HA 0.627 4.955 4.320 0.014 0.000 0.276 847 K C 0.131 176.747 176.600 0.027 0.000 1.013 847 K CA -0.030 56.274 56.287 0.028 0.000 0.913 847 K CB 0.790 33.317 32.500 0.045 0.000 1.055 847 K HN 0.011 nan 8.250 nan 0.000 0.461 848 T N 6.311 120.873 114.554 0.014 0.000 2.737 848 T HA 0.130 4.488 4.350 0.014 0.000 0.296 848 T C 0.849 175.505 174.700 -0.073 0.000 0.922 848 T CA -0.461 61.644 62.100 0.008 0.000 1.079 848 T CB 0.440 69.329 68.868 0.034 0.000 0.892 848 T HN 0.360 nan 8.240 nan 0.000 0.514 849 L N 3.180 124.282 121.223 -0.202 0.000 2.102 849 L HA 0.405 4.753 4.340 0.014 0.000 0.202 849 L C 0.240 176.701 176.870 -0.682 0.000 1.076 849 L CA 1.353 55.832 54.840 -0.602 0.000 0.761 849 L CB -0.501 40.810 42.059 -1.246 0.000 0.921 849 L HN 0.598 nan 8.230 nan 0.000 0.444 850 F N -1.723 118.201 119.950 -0.044 0.000 2.601 850 F HA 0.544 5.079 4.527 0.014 0.000 0.309 850 F C -0.378 175.504 175.800 0.137 0.000 1.089 850 F CA -0.852 57.045 58.000 -0.171 0.000 0.940 850 F CB 1.883 40.370 39.000 -0.855 0.000 1.273 850 F HN -0.386 nan 8.300 nan 0.000 0.450 851 I N 1.476 122.249 120.570 0.339 0.000 2.509 851 I HA 0.395 4.573 4.170 0.014 0.000 0.293 851 I C -0.717 175.654 176.117 0.424 0.000 1.020 851 I CA -0.560 60.980 61.300 0.400 0.000 1.088 851 I CB 2.252 40.402 38.000 0.250 0.000 1.267 851 I HN 0.512 nan 8.210 nan 0.000 0.430 852 S N 6.265 122.319 115.700 0.591 0.000 2.478 852 S HA 0.601 5.079 4.470 0.014 0.000 0.312 852 S C -0.721 174.120 174.600 0.402 0.000 1.094 852 S CA -0.660 57.850 58.200 0.517 0.000 1.081 852 S CB 0.750 64.382 63.200 0.720 0.000 1.007 852 S HN 0.549 nan 8.310 nan 0.000 0.475 853 R N 3.261 123.921 120.500 0.267 0.000 2.437 853 R HA 0.556 4.904 4.340 0.014 0.000 0.310 853 R C -0.734 175.649 176.300 0.138 0.000 0.955 853 R CA -0.715 55.502 56.100 0.195 0.000 0.851 853 R CB 1.793 32.178 30.300 0.141 0.000 1.161 853 R HN 0.553 nan 8.270 nan 0.000 0.446 854 K N 0.773 121.252 120.400 0.133 0.000 2.444 854 K HA 0.511 4.840 4.320 0.014 0.000 0.252 854 K C -0.853 175.743 176.600 -0.005 0.000 0.993 854 K CA -0.933 55.359 56.287 0.009 0.000 0.847 854 K CB 2.551 35.029 32.500 -0.037 0.000 1.340 854 K HN 0.610 nan 8.250 nan 0.000 0.446 855 T N -1.292 113.183 114.554 -0.131 0.000 2.916 855 T HA 0.534 4.893 4.350 0.014 0.000 0.298 855 T C -1.276 173.319 174.700 -0.175 0.000 1.031 855 T CA -0.800 61.267 62.100 -0.056 0.000 0.993 855 T CB 0.457 69.314 68.868 -0.018 0.000 1.045 855 T HN 0.366 nan 8.240 nan 0.000 0.454 856 Y N 0.877 121.166 120.300 -0.018 0.000 2.331 856 Y HA 0.640 5.198 4.550 0.014 0.000 0.334 856 Y C 0.453 176.307 175.900 -0.075 0.000 0.960 856 Y CA -1.219 56.890 58.100 0.014 0.000 1.130 856 Y CB 1.827 40.349 38.460 0.102 0.000 1.164 856 Y HN 0.641 nan 8.280 nan 0.000 0.458 857 R N 3.611 124.155 120.500 0.074 0.000 2.337 857 R HA 0.596 4.945 4.340 0.014 0.000 0.319 857 R C -1.700 174.566 176.300 -0.057 0.000 0.954 857 R CA -0.680 55.414 56.100 -0.010 0.000 0.840 857 R CB 0.430 30.729 30.300 -0.002 0.000 1.164 857 R HN 0.547 nan 8.270 nan 0.000 0.472 858 I N 4.730 125.203 120.570 -0.161 0.000 2.336 858 I HA 0.181 4.360 4.170 0.014 0.000 0.292 858 I C 0.306 176.308 176.117 -0.191 0.000 0.991 858 I CA -0.992 60.128 61.300 -0.299 0.000 1.227 858 I CB 1.260 38.850 38.000 -0.682 0.000 1.366 858 I HN 0.624 nan 8.210 nan 0.000 0.466 859 D N 3.985 124.317 120.400 -0.114 0.000 2.442 859 D HA 0.234 4.883 4.640 0.014 0.000 0.254 859 D C 1.050 177.338 176.300 -0.019 0.000 1.069 859 D CA -0.581 53.392 54.000 -0.046 0.000 1.017 859 D CB 1.700 42.500 40.800 0.000 0.000 1.172 859 D HN 0.539 nan 8.370 nan 0.000 0.561 860 G N -0.681 108.127 108.800 0.012 0.000 2.586 860 G HA2 -0.212 3.756 3.960 0.014 0.000 0.215 860 G HA3 -0.212 3.756 3.960 0.014 0.000 0.215 860 G C 1.279 176.210 174.900 0.052 0.000 1.128 860 G CA 1.042 46.163 45.100 0.035 0.000 0.774 860 G HN 0.521 nan 8.290 nan 0.000 0.543 861 S N -1.099 114.632 115.700 0.052 0.000 2.548 861 S HA 0.379 4.857 4.470 0.014 0.000 0.215 861 S C 1.840 176.488 174.600 0.080 0.000 0.976 861 S CA 0.945 59.174 58.200 0.049 0.000 0.908 861 S CB 0.040 63.272 63.200 0.053 0.000 0.781 861 S HN 1.429 nan 8.310 nan 0.000 0.519 862 G N 0.464 109.336 108.800 0.122 0.000 2.175 862 G HA2 -0.224 3.744 3.960 0.014 0.000 0.244 862 G HA3 -0.224 3.744 3.960 0.014 0.000 0.244 862 G C -0.193 174.869 174.900 0.271 0.000 0.982 862 G CA 0.137 45.396 45.100 0.264 0.000 0.641 862 G HN 0.619 nan 8.290 nan 0.000 0.527 863 Q N -0.324 119.564 119.800 0.146 0.000 2.235 863 Q HA 0.679 5.027 4.340 0.014 0.000 0.250 863 Q C 0.144 176.204 176.000 0.099 0.000 0.909 863 Q CA -0.253 55.641 55.803 0.152 0.000 0.910 863 Q CB 1.613 30.422 28.738 0.119 0.000 1.223 863 Q HN 0.429 nan 8.270 nan 0.000 0.432 864 M N 1.986 121.690 119.600 0.173 0.000 2.085 864 M HA 0.538 5.026 4.480 0.014 0.000 0.309 864 M C -1.570 174.859 176.300 0.214 0.000 0.947 864 M CA -0.530 54.852 55.300 0.138 0.000 0.918 864 M CB 1.117 33.832 32.600 0.192 0.000 1.504 864 M HN 0.705 nan 8.290 nan 0.000 0.420 865 A N 6.782 129.685 122.820 0.139 0.000 2.260 865 A HA 0.693 5.021 4.320 0.014 0.000 0.308 865 A C -0.775 176.861 177.584 0.086 0.000 1.254 865 A CA -0.608 51.505 52.037 0.126 0.000 0.874 865 A CB 0.145 19.195 19.000 0.084 0.000 1.153 865 A HN 0.919 nan 8.150 nan 0.000 0.527 866 I N 2.424 123.031 120.570 0.062 0.000 2.339 866 I HA 0.333 4.512 4.170 0.014 0.000 0.290 866 I C -0.190 175.830 176.117 -0.162 0.000 0.994 866 I CA -0.202 61.027 61.300 -0.118 0.000 1.191 866 I CB 2.026 39.968 38.000 -0.095 0.000 1.343 866 I HN 0.493 nan 8.210 nan 0.000 0.458 867 T N 5.770 120.193 114.554 -0.219 0.000 2.770 867 T HA 0.543 4.902 4.350 0.014 0.000 0.283 867 T C -0.268 174.249 174.700 -0.305 0.000 0.988 867 T CA -0.505 61.466 62.100 -0.215 0.000 0.957 867 T CB 1.760 70.598 68.868 -0.050 0.000 0.930 867 T HN 0.215 nan 8.240 nan 0.000 0.443 868 V N 3.542 123.142 119.914 -0.523 0.000 2.540 868 V HA 0.478 4.606 4.120 0.014 0.000 0.302 868 V C -0.721 175.196 176.094 -0.295 0.000 1.035 868 V CA -0.915 61.106 62.300 -0.466 0.000 0.873 868 V CB 2.028 33.303 31.823 -0.913 0.000 0.992 868 V HN 0.840 nan 8.190 nan 0.000 0.428 869 D N 3.438 123.834 120.400 -0.006 0.000 2.471 869 D HA 0.529 5.177 4.640 0.014 0.000 0.245 869 D C -0.940 175.475 176.300 0.192 0.000 1.116 869 D CA -0.069 54.023 54.000 0.153 0.000 0.853 869 D CB 2.634 43.548 40.800 0.190 0.000 1.123 869 D HN 0.253 nan 8.370 nan 0.000 0.540 870 V N 2.250 122.311 119.914 0.246 0.000 2.715 870 V HA 0.330 4.458 4.120 0.014 0.000 0.310 870 V C 0.056 176.282 176.094 0.221 0.000 1.054 870 V CA -0.719 61.737 62.300 0.261 0.000 0.928 870 V CB 2.564 34.576 31.823 0.315 0.000 1.007 870 V HN 0.356 nan 8.190 nan 0.000 0.437 871 E N 2.138 122.457 120.200 0.197 0.000 2.199 871 E HA 0.655 5.013 4.350 0.014 0.000 0.269 871 E C -1.580 175.128 176.600 0.179 0.000 0.899 871 E CA -0.567 55.930 56.400 0.162 0.000 0.772 871 E CB 2.534 32.316 29.700 0.137 0.000 1.155 871 E HN 0.414 nan 8.360 nan 0.000 0.408 872 V N 1.975 122.002 119.914 0.187 0.000 2.487 872 V HA 0.399 4.528 4.120 0.014 0.000 0.298 872 V C 0.056 176.252 176.094 0.170 0.000 1.028 872 V CA -1.031 61.411 62.300 0.236 0.000 0.860 872 V CB 1.585 33.583 31.823 0.291 0.000 0.991 872 V HN 0.855 nan 8.190 nan 0.000 0.427 873 A N 3.340 126.224 122.820 0.107 0.000 2.566 873 A HA 0.228 4.556 4.320 0.014 0.000 0.245 873 A C 1.621 179.283 177.584 0.130 0.000 1.056 873 A CA 0.682 52.766 52.037 0.078 0.000 0.757 873 A CB 0.152 19.161 19.000 0.015 0.000 0.979 873 A HN 1.398 nan 8.150 nan 0.000 0.508 874 S N 1.342 117.113 115.700 0.117 0.000 2.423 874 S HA -0.159 4.320 4.470 0.014 0.000 0.231 874 S C 0.938 175.619 174.600 0.135 0.000 1.014 874 S CA 1.276 59.563 58.200 0.145 0.000 0.965 874 S CB -0.311 62.953 63.200 0.108 0.000 0.785 874 S HN 0.829 nan 8.310 nan 0.000 0.495 875 D N 0.463 120.916 120.400 0.090 0.000 2.340 875 D HA 0.126 4.775 4.640 0.014 0.000 0.220 875 D C 0.579 176.917 176.300 0.062 0.000 1.039 875 D CA 0.133 54.169 54.000 0.060 0.000 0.866 875 D CB -0.535 40.288 40.800 0.038 0.000 0.913 875 D HN 0.324 nan 8.370 nan 0.000 0.523 876 T N 1.568 116.187 114.554 0.107 0.000 2.909 876 T HA 0.369 4.728 4.350 0.014 0.000 0.286 876 T C -2.588 172.233 174.700 0.202 0.000 1.002 876 T CA -2.020 60.171 62.100 0.151 0.000 1.074 876 T CB 1.107 70.078 68.868 0.170 0.000 0.984 876 T HN -0.137 nan 8.240 nan 0.000 0.495 877 P HA 0.053 nan 4.420 nan 0.000 0.264 877 P C -0.551 177.094 177.300 0.576 0.000 1.183 877 P CA 0.124 63.349 63.100 0.209 0.000 0.763 877 P CB -0.047 31.758 31.700 0.175 0.000 0.807 878 H N 3.752 123.218 119.070 0.660 0.000 3.094 878 H HA 0.046 4.610 4.556 0.014 0.000 0.320 878 H C -1.533 174.142 175.328 0.579 0.000 1.000 878 H CA -1.287 55.074 56.048 0.523 0.000 1.413 878 H CB -0.423 29.584 29.762 0.410 0.000 1.405 878 H HN 0.377 nan 8.280 nan 0.000 0.586 879 P HA -0.019 nan 4.420 nan 0.000 0.272 879 P C 0.187 177.378 177.300 -0.182 0.000 1.223 879 P CA -0.186 62.973 63.100 0.098 0.000 0.784 879 P CB 1.031 32.619 31.700 -0.186 0.000 0.923 880 A N 3.679 126.121 122.820 -0.630 0.000 1.933 880 A HA -0.118 4.211 4.320 0.014 0.000 0.218 880 A C 1.052 178.250 177.584 -0.643 0.000 1.175 880 A CA 1.406 53.027 52.037 -0.693 0.000 0.628 880 A CB -0.532 17.840 19.000 -1.047 0.000 0.814 880 A HN 0.758 nan 8.150 nan 0.000 0.444 881 R N -2.975 117.178 120.500 -0.578 0.000 2.733 881 R HA 0.746 5.094 4.340 0.014 0.000 0.272 881 R C -1.591 174.460 176.300 -0.415 0.000 1.029 881 R CA -0.803 54.984 56.100 -0.522 0.000 0.888 881 R CB 0.910 30.869 30.300 -0.568 0.000 1.251 881 R HN -0.009 nan 8.270 nan 0.000 0.464 882 I N 1.161 121.521 120.570 -0.351 0.000 2.521 882 I HA 0.625 4.803 4.170 0.014 0.000 0.277 882 I C -0.440 175.447 176.117 -0.384 0.000 1.054 882 I CA -0.307 60.815 61.300 -0.295 0.000 1.117 882 I CB 1.748 39.641 38.000 -0.179 0.000 1.217 882 I HN 0.960 nan 8.210 nan 0.000 0.469 883 G N 5.831 114.340 108.800 -0.486 0.000 2.731 883 G HA2 0.764 4.733 3.960 0.014 0.000 0.309 883 G HA3 0.764 4.733 3.960 0.014 0.000 0.309 883 G C -1.645 173.079 174.900 -0.292 0.000 1.273 883 G CA -0.572 44.285 45.100 -0.404 0.000 0.798 883 G HN 0.256 nan 8.290 nan 0.000 0.509 884 L N 0.808 121.910 121.223 -0.203 0.000 2.350 884 L HA 0.654 5.002 4.340 0.014 0.000 0.260 884 L C -0.803 175.961 176.870 -0.177 0.000 1.015 884 L CA -1.145 53.609 54.840 -0.144 0.000 0.821 884 L CB 2.492 44.549 42.059 -0.005 0.000 1.370 884 L HN 0.782 nan 8.230 nan 0.000 0.416 885 N N 0.708 119.333 118.700 -0.125 0.000 2.494 885 N HA 0.738 5.486 4.740 0.014 0.000 0.270 885 N C -1.238 174.272 175.510 -0.001 0.000 1.285 885 N CA -0.533 52.477 53.050 -0.067 0.000 0.812 885 N CB 2.402 40.879 38.487 -0.017 0.000 1.557 885 N HN 0.886 nan 8.380 nan 0.000 0.487 886 C N -1.202 118.107 119.300 0.015 0.000 3.292 886 C HA 0.574 5.043 4.460 0.014 0.000 0.338 886 C C -1.240 173.549 174.990 -0.334 0.000 1.323 886 C CA -0.856 58.110 59.018 -0.086 0.000 1.232 886 C CB 0.994 28.718 27.740 -0.027 0.000 1.517 886 C HN 0.864 nan 8.230 nan 0.000 0.470 887 Q N 1.338 120.716 119.800 -0.703 0.000 2.372 887 Q HA 0.650 4.998 4.340 0.014 0.000 0.259 887 Q C -1.070 174.647 176.000 -0.472 0.000 0.993 887 Q CA -0.441 54.738 55.803 -1.039 0.000 0.854 887 Q CB 0.879 28.571 28.738 -1.743 0.000 1.231 887 Q HN 0.765 nan 8.270 nan 0.000 0.462 888 L N 2.940 123.989 121.223 -0.289 0.000 2.380 888 L HA 0.235 4.583 4.340 0.014 0.000 0.273 888 L C 1.282 178.100 176.870 -0.086 0.000 1.138 888 L CA -0.216 54.578 54.840 -0.077 0.000 0.832 888 L CB 0.826 42.950 42.059 0.108 0.000 1.124 888 L HN 0.832 nan 8.230 nan 0.000 0.454 889 A N 2.480 125.269 122.820 -0.052 0.000 1.933 889 A HA -0.156 4.172 4.320 0.014 0.000 0.218 889 A C 1.224 178.802 177.584 -0.010 0.000 1.175 889 A CA 0.765 52.768 52.037 -0.058 0.000 0.628 889 A CB -0.334 18.628 19.000 -0.062 0.000 0.814 889 A HN 0.810 nan 8.150 nan 0.000 0.444 890 Q N -0.257 119.573 119.800 0.051 0.000 2.432 890 Q HA 0.354 4.702 4.340 0.014 0.000 0.264 890 Q C -1.080 174.967 176.000 0.078 0.000 1.035 890 Q CA 0.564 56.389 55.803 0.037 0.000 0.908 890 Q CB 0.631 29.401 28.738 0.053 0.000 1.280 890 Q HN 0.172 nan 8.270 nan 0.000 0.455 891 V N 3.231 123.149 119.914 0.008 0.000 2.488 891 V HA 0.758 4.886 4.120 0.014 0.000 0.293 891 V C -0.777 175.285 176.094 -0.054 0.000 1.027 891 V CA -0.219 62.120 62.300 0.065 0.000 0.862 891 V CB 1.068 32.910 31.823 0.031 0.000 1.008 891 V HN 0.899 nan 8.190 nan 0.000 0.428 892 A N 2.880 125.624 122.820 -0.127 0.000 2.354 892 A HA 0.729 5.057 4.320 0.014 0.000 0.321 892 A C 0.834 178.437 177.584 0.031 0.000 1.125 892 A CA -0.372 51.532 52.037 -0.222 0.000 0.799 892 A CB 1.652 20.295 19.000 -0.595 0.000 1.293 892 A HN 0.773 nan 8.150 nan 0.000 0.452 893 E N -0.012 120.195 120.200 0.012 0.000 2.072 893 E HA -0.075 4.283 4.350 0.014 0.000 0.190 893 E C 0.076 176.750 176.600 0.123 0.000 0.982 893 E CA 0.779 57.218 56.400 0.064 0.000 0.803 893 E CB 0.134 29.854 29.700 0.033 0.000 0.755 893 E HN 0.512 nan 8.360 nan 0.000 0.453 894 R N -0.113 120.469 120.500 0.136 0.000 2.787 894 R HA 0.508 4.856 4.340 0.014 0.000 0.271 894 R C -0.748 175.727 176.300 0.291 0.000 0.993 894 R CA -0.919 55.290 56.100 0.181 0.000 0.993 894 R CB 1.882 32.261 30.300 0.131 0.000 1.155 894 R HN -0.137 nan 8.270 nan 0.000 0.486 895 V N 2.225 122.318 119.914 0.299 0.000 2.482 895 V HA 0.314 4.442 4.120 0.014 0.000 0.295 895 V C -0.435 175.923 176.094 0.439 0.000 1.026 895 V CA -0.935 61.570 62.300 0.342 0.000 0.856 895 V CB 1.830 33.781 31.823 0.214 0.000 1.001 895 V HN 0.651 nan 8.190 nan 0.000 0.424 896 N N 4.778 123.709 118.700 0.386 0.000 2.342 896 N HA 0.553 5.301 4.740 0.014 0.000 0.293 896 N C -1.295 174.472 175.510 0.428 0.000 1.026 896 N CA -0.407 52.855 53.050 0.354 0.000 0.857 896 N CB 2.656 41.240 38.487 0.162 0.000 1.256 896 N HN 0.782 nan 8.380 nan 0.000 0.484 897 W N 3.143 124.476 121.300 0.055 0.000 3.118 897 W HA 0.576 5.245 4.660 0.014 0.000 0.328 897 W C -2.070 174.413 176.519 -0.060 0.000 1.239 897 W CA -1.124 56.232 57.345 0.018 0.000 1.176 897 W CB 0.690 30.193 29.460 0.073 0.000 1.433 897 W HN 0.224 nan 8.180 nan 0.000 0.562 898 L N 4.162 125.342 121.223 -0.072 0.000 2.301 898 L HA 0.910 5.258 4.340 0.014 0.000 0.278 898 L C 0.009 176.669 176.870 -0.349 0.000 1.022 898 L CA 0.353 54.963 54.840 -0.384 0.000 0.854 898 L CB 0.576 42.520 42.059 -0.193 0.000 1.226 898 L HN 1.009 nan 8.230 nan 0.000 0.429 899 G N 3.694 112.118 108.800 -0.626 0.000 2.335 899 G HA2 0.201 4.169 3.960 0.014 0.000 0.291 899 G HA3 0.201 4.169 3.960 0.014 0.000 0.291 899 G C -1.638 173.244 174.900 -0.029 0.000 1.261 899 G CA -1.048 43.939 45.100 -0.189 0.000 0.871 899 G HN 0.416 nan 8.290 nan 0.000 0.491 900 L N 1.134 122.504 121.223 0.245 0.000 2.367 900 L HA 0.601 4.949 4.340 0.014 0.000 0.275 900 L C 1.064 178.031 176.870 0.162 0.000 1.129 900 L CA 0.764 55.720 54.840 0.193 0.000 0.839 900 L CB 0.603 42.730 42.059 0.114 0.000 1.133 900 L HN 1.154 nan 8.230 nan 0.000 0.453 901 G N 3.024 111.703 108.800 -0.202 0.000 2.427 901 G HA2 0.279 4.247 3.960 0.014 0.000 0.306 901 G HA3 0.279 4.247 3.960 0.014 0.000 0.306 901 G C -2.761 171.315 174.900 -1.373 0.000 1.280 901 G CA -0.292 44.338 45.100 -0.783 0.000 0.837 901 G HN 0.303 nan 8.290 nan 0.000 0.482 902 P HA 0.096 nan 4.420 nan 0.000 0.235 902 P C 0.459 177.566 177.300 -0.321 0.000 1.177 902 P CA 0.572 63.008 63.100 -1.107 0.000 0.785 902 P CB 0.513 31.701 31.700 -0.854 0.000 0.885 903 Q N 0.473 120.075 119.800 -0.330 0.000 2.318 903 Q HA 0.153 4.501 4.340 0.014 0.000 0.222 903 Q C 0.406 176.295 176.000 -0.184 0.000 1.003 903 Q CA -0.645 55.040 55.803 -0.196 0.000 0.936 903 Q CB 0.712 29.356 28.738 -0.157 0.000 1.204 903 Q HN 0.124 nan 8.270 nan 0.000 0.524 904 E N 1.270 121.369 120.200 -0.169 0.000 2.568 904 E HA -0.130 4.228 4.350 0.014 0.000 0.262 904 E C -1.165 175.362 176.600 -0.123 0.000 0.961 904 E CA 0.386 56.679 56.400 -0.179 0.000 0.945 904 E CB 0.229 29.884 29.700 -0.074 0.000 0.924 904 E HN 0.611 nan 8.360 nan 0.000 0.467 905 N N 2.607 121.163 118.700 -0.241 0.000 2.367 905 N HA 0.341 5.089 4.740 0.014 0.000 0.278 905 N C -1.829 173.482 175.510 -0.332 0.000 1.117 905 N CA -0.701 52.260 53.050 -0.148 0.000 0.867 905 N CB 0.742 39.153 38.487 -0.127 0.000 1.649 905 N HN 0.244 nan 8.380 nan 0.000 0.479 906 Y N -0.070 120.143 120.300 -0.146 0.000 2.633 906 Y HA 0.508 5.067 4.550 0.014 0.000 0.339 906 Y C -1.654 174.172 175.900 -0.124 0.000 1.045 906 Y CA -2.038 55.961 58.100 -0.168 0.000 1.098 906 Y CB 1.766 40.128 38.460 -0.163 0.000 1.296 906 Y HN 0.430 nan 8.280 nan 0.000 0.494 907 P HA -0.200 nan 4.420 nan 0.000 0.216 907 P C 0.360 177.531 177.300 -0.214 0.000 1.157 907 P CA 2.290 65.423 63.100 0.055 0.000 0.880 907 P CB 0.176 32.024 31.700 0.247 0.000 0.791 908 D N -2.482 117.562 120.400 -0.593 0.000 2.342 908 D HA 0.010 4.658 4.640 0.014 0.000 0.221 908 D C 0.725 176.865 176.300 -0.267 0.000 1.101 908 D CA 0.100 53.545 54.000 -0.925 0.000 0.837 908 D CB -0.293 39.739 40.800 -1.281 0.000 0.938 908 D HN 0.129 nan 8.370 nan 0.000 0.508 909 R N 1.094 121.542 120.500 -0.086 0.000 2.627 909 R HA 0.178 4.526 4.340 0.014 0.000 0.251 909 R C -0.620 175.714 176.300 0.057 0.000 1.524 909 R CA -0.147 55.971 56.100 0.029 0.000 1.606 909 R CB 0.091 30.415 30.300 0.040 0.000 1.396 909 R HN 0.100 nan 8.270 nan 0.000 0.724 910 L N -1.925 119.337 121.223 0.065 0.000 3.386 910 L HA 0.321 4.669 4.340 0.014 0.000 0.307 910 L C 1.311 178.237 176.870 0.093 0.000 1.235 910 L CA 0.174 55.049 54.840 0.059 0.000 1.056 910 L CB -0.076 42.005 42.059 0.036 0.000 1.453 910 L HN 0.070 nan 8.230 nan 0.000 0.615 911 T N -2.403 112.235 114.554 0.140 0.000 2.833 911 T HA -0.047 4.311 4.350 0.014 0.000 0.269 911 T C 1.789 176.530 174.700 0.067 0.000 1.054 911 T CA 1.485 63.693 62.100 0.180 0.000 1.135 911 T CB -0.407 68.633 68.868 0.287 0.000 0.869 911 T HN 0.403 nan 8.240 nan 0.000 0.466 912 A N 1.728 124.602 122.820 0.089 0.000 2.067 912 A HA 0.640 4.969 4.320 0.014 0.000 0.217 912 A C 1.656 179.306 177.584 0.111 0.000 1.156 912 A CA 0.528 52.575 52.037 0.016 0.000 0.683 912 A CB -0.955 18.209 19.000 0.273 0.000 0.808 912 A HN 0.849 nan 8.150 nan 0.000 0.455 913 A N -1.000 121.841 122.820 0.035 0.000 2.445 913 A HA 0.427 4.756 4.320 0.014 0.000 0.242 913 A C 0.054 177.647 177.584 0.015 0.000 1.075 913 A CA -0.025 51.992 52.037 -0.034 0.000 0.777 913 A CB -0.185 18.794 19.000 -0.035 0.000 1.013 913 A HN 0.470 nan 8.150 nan 0.000 0.493 914 C N 0.942 120.246 119.300 0.006 0.000 2.493 914 C HA 0.553 5.021 4.460 0.014 0.000 0.326 914 C C -0.090 175.001 174.990 0.169 0.000 1.200 914 C CA -0.452 58.629 59.018 0.105 0.000 1.739 914 C CB 0.761 28.581 27.740 0.134 0.000 2.300 914 C HN 0.786 nan 8.230 nan 0.000 0.500 915 F N 3.780 123.580 119.950 -0.249 0.000 2.445 915 F HA 0.481 5.016 4.527 0.014 0.000 0.359 915 F C 0.396 175.868 175.800 -0.547 0.000 1.101 915 F CA 1.100 58.815 58.000 -0.475 0.000 1.177 915 F CB -0.014 38.218 39.000 -1.279 0.000 1.110 915 F HN 0.631 nan 8.300 nan 0.000 0.522 916 D N 3.151 122.908 120.400 -1.072 0.000 2.879 916 D HA 0.151 4.799 4.640 0.014 0.000 0.346 916 D C -1.696 173.695 176.300 -1.514 0.000 1.390 916 D CA -0.725 52.569 54.000 -1.176 0.000 0.838 916 D CB 1.440 41.524 40.800 -1.193 0.000 1.416 916 D HN 0.443 nan 8.370 nan 0.000 0.493 917 R N 0.695 120.400 120.500 -1.325 0.000 2.207 917 R HA 0.521 4.869 4.340 0.014 0.000 0.334 917 R C -1.469 174.071 176.300 -1.267 0.000 1.013 917 R CA -0.168 55.305 56.100 -1.045 0.000 0.858 917 R CB 0.240 30.188 30.300 -0.586 0.000 1.094 917 R HN 0.285 nan 8.270 nan 0.000 0.457 918 W N 2.585 123.358 121.300 -0.879 0.000 2.706 918 W HA 0.446 5.114 4.660 0.014 0.000 0.346 918 W C -0.529 175.636 176.519 -0.590 0.000 1.071 918 W CA -0.659 56.122 57.345 -0.941 0.000 1.206 918 W CB 1.809 30.160 29.460 -1.849 0.000 1.413 918 W HN 0.396 nan 8.180 nan 0.000 0.542 919 D N 2.425 122.816 120.400 -0.016 0.000 2.613 919 D HA 0.411 5.059 4.640 0.014 0.000 0.230 919 D C -1.574 174.844 176.300 0.197 0.000 1.365 919 D CA -0.146 53.937 54.000 0.139 0.000 0.976 919 D CB 0.911 41.736 40.800 0.042 0.000 1.415 919 D HN 0.387 nan 8.370 nan 0.000 0.589 920 L N 2.889 124.298 121.223 0.309 0.000 2.327 920 L HA 0.609 4.958 4.340 0.014 0.000 0.258 920 L C -2.285 174.700 176.870 0.193 0.000 1.024 920 L CA -2.203 52.779 54.840 0.236 0.000 0.825 920 L CB 2.657 44.887 42.059 0.286 0.000 1.386 920 L HN 0.173 nan 8.230 nan 0.000 0.417 921 P HA 0.059 nan 4.420 nan 0.000 0.275 921 P C 0.524 177.893 177.300 0.115 0.000 1.228 921 P CA -0.391 62.777 63.100 0.113 0.000 0.786 921 P CB 0.948 32.695 31.700 0.079 0.000 0.927 922 L N 3.499 124.794 121.223 0.120 0.000 2.021 922 L HA -0.279 4.070 4.340 0.014 0.000 0.215 922 L C 2.262 179.169 176.870 0.062 0.000 1.074 922 L CA 2.882 57.779 54.840 0.095 0.000 0.760 922 L CB -1.551 40.581 42.059 0.121 0.000 0.889 922 L HN 0.471 nan 8.230 nan 0.000 0.433 923 S N -1.872 113.869 115.700 0.068 0.000 2.419 923 S HA -0.183 4.295 4.470 0.014 0.000 0.233 923 S C 1.611 176.277 174.600 0.110 0.000 1.016 923 S CA 1.146 59.405 58.200 0.098 0.000 0.974 923 S CB -0.820 62.432 63.200 0.088 0.000 0.786 923 S HN 0.539 nan 8.310 nan 0.000 0.492 924 D N 1.093 121.530 120.400 0.063 0.000 2.378 924 D HA 0.083 4.731 4.640 0.014 0.000 0.222 924 D C 1.189 177.481 176.300 -0.014 0.000 0.980 924 D CA 0.647 54.661 54.000 0.023 0.000 0.907 924 D CB -0.131 40.694 40.800 0.042 0.000 0.899 924 D HN 0.391 nan 8.370 nan 0.000 0.527 925 M N -0.537 119.064 119.600 0.002 0.000 2.494 925 M HA 0.078 4.566 4.480 0.014 0.000 0.232 925 M C -0.080 176.215 176.300 -0.009 0.000 1.137 925 M CA -0.108 55.149 55.300 -0.071 0.000 1.012 925 M CB -0.707 31.837 32.600 -0.094 0.000 1.567 925 M HN -0.051 nan 8.290 nan 0.000 0.486 926 Y N 0.165 120.417 120.300 -0.081 0.000 2.393 926 Y HA 0.506 5.064 4.550 0.014 0.000 0.341 926 Y C -0.696 175.141 175.900 -0.105 0.000 0.988 926 Y CA -0.830 57.240 58.100 -0.050 0.000 1.078 926 Y CB 1.279 39.772 38.460 0.055 0.000 1.203 926 Y HN -0.111 nan 8.280 nan 0.000 0.453 927 T N 8.809 122.874 114.554 -0.815 0.000 2.756 927 T HA 0.288 4.646 4.350 0.014 0.000 0.290 927 T C -2.706 171.190 174.700 -1.340 0.000 0.985 927 T CA -1.528 60.011 62.100 -0.936 0.000 0.955 927 T CB 1.123 69.518 68.868 -0.788 0.000 0.930 927 T HN 0.463 nan 8.240 nan 0.000 0.451 928 P HA 0.146 nan 4.420 nan 0.000 0.220 928 P C -0.676 176.465 177.300 -0.265 0.000 1.806 928 P CA -0.488 62.181 63.100 -0.718 0.000 0.976 928 P CB -0.729 30.700 31.700 -0.452 0.000 1.952 929 Y N -0.182 120.057 120.300 -0.102 0.000 2.717 929 Y HA -0.099 4.459 4.550 0.014 0.000 0.330 929 Y C 2.269 178.224 175.900 0.093 0.000 1.217 929 Y CA -0.441 57.666 58.100 0.012 0.000 1.506 929 Y CB 0.521 38.943 38.460 -0.064 0.000 1.268 929 Y HN -0.063 nan 8.280 nan 0.000 0.561 930 V N 3.748 123.881 119.914 0.364 0.000 2.332 930 V HA -0.304 3.825 4.120 0.014 0.000 0.248 930 V C 0.521 176.800 176.094 0.309 0.000 1.055 930 V CA 1.417 63.917 62.300 0.333 0.000 1.038 930 V CB -0.534 31.524 31.823 0.392 0.000 0.651 930 V HN 0.578 nan 8.190 nan 0.000 0.450 931 F N 2.943 122.977 119.950 0.140 0.000 2.371 931 F HA 0.508 5.044 4.527 0.014 0.000 0.363 931 F C -2.467 173.370 175.800 0.063 0.000 1.122 931 F CA -3.435 54.596 58.000 0.051 0.000 1.129 931 F CB 0.779 39.721 39.000 -0.097 0.000 1.173 931 F HN -0.008 nan 8.300 nan 0.000 0.489 932 P HA 0.266 nan 4.420 nan 0.000 0.271 932 P C -1.056 175.965 177.300 -0.466 0.000 1.218 932 P CA 0.075 62.929 63.100 -0.411 0.000 0.780 932 P CB 1.244 32.714 31.700 -0.384 0.000 0.901 933 S N 0.056 115.673 115.700 -0.139 0.000 2.683 933 S HA 0.418 4.897 4.470 0.014 0.000 0.269 933 S C -0.874 173.740 174.600 0.023 0.000 1.165 933 S CA -0.957 57.205 58.200 -0.063 0.000 0.840 933 S CB 0.346 63.550 63.200 0.007 0.000 1.169 933 S HN 0.329 nan 8.310 nan 0.000 0.490 934 E N 1.154 121.379 120.200 0.042 0.000 2.568 934 E HA 0.335 4.693 4.350 0.014 0.000 0.262 934 E C -0.148 176.529 176.600 0.129 0.000 0.961 934 E CA 1.039 57.491 56.400 0.086 0.000 0.945 934 E CB -0.207 29.569 29.700 0.126 0.000 0.924 934 E HN 0.815 nan 8.360 nan 0.000 0.467 935 N N 1.381 120.186 118.700 0.175 0.000 3.046 935 N HA 0.470 5.218 4.740 0.014 0.000 0.243 935 N C 0.139 175.716 175.510 0.112 0.000 1.452 935 N CA -0.501 52.686 53.050 0.228 0.000 0.882 935 N CB 0.865 39.470 38.487 0.196 0.000 1.425 935 N HN 0.725 nan 8.380 nan 0.000 0.517 936 G N -1.164 107.664 108.800 0.045 0.000 2.168 936 G HA2 -0.275 3.693 3.960 0.014 0.000 0.263 936 G HA3 -0.275 3.693 3.960 0.014 0.000 0.263 936 G C -0.139 174.519 174.900 -0.404 0.000 0.977 936 G CA 0.444 45.445 45.100 -0.165 0.000 0.659 936 G HN 0.730 nan 8.290 nan 0.000 0.533 937 L N -0.181 120.735 121.223 -0.511 0.000 2.516 937 L HA 0.585 4.933 4.340 0.014 0.000 0.288 937 L C 0.750 177.041 176.870 -0.965 0.000 1.246 937 L CA 0.613 54.899 54.840 -0.924 0.000 0.844 937 L CB 0.486 41.651 42.059 -1.490 0.000 1.106 937 L HN 0.274 nan 8.230 nan 0.000 0.509 938 R N 2.237 122.062 120.500 -1.125 0.000 2.513 938 R HA 0.499 4.848 4.340 0.014 0.000 0.301 938 R C -0.982 174.958 176.300 -0.600 0.000 0.968 938 R CA -0.280 55.290 56.100 -0.883 0.000 0.872 938 R CB 1.412 31.022 30.300 -1.151 0.000 1.177 938 R HN 0.711 nan 8.270 nan 0.000 0.444 939 C N 0.207 119.314 119.300 -0.322 0.000 2.547 939 C HA 0.715 5.183 4.460 0.014 0.000 0.411 939 C C 1.298 176.272 174.990 -0.028 0.000 1.424 939 C CA -0.020 58.889 59.018 -0.183 0.000 1.848 939 C CB 1.319 28.972 27.740 -0.144 0.000 2.062 939 C HN 1.019 nan 8.230 nan 0.000 0.504 940 G N 1.540 110.337 108.800 -0.005 0.000 2.341 940 G HA2 -0.194 3.775 3.960 0.014 0.000 0.292 940 G HA3 -0.194 3.775 3.960 0.014 0.000 0.292 940 G C -0.026 174.946 174.900 0.119 0.000 1.021 940 G CA 0.674 45.824 45.100 0.082 0.000 0.905 940 G HN 0.792 nan 8.290 nan 0.000 0.508 941 T N -0.043 114.457 114.554 -0.091 0.000 2.771 941 T HA 0.500 4.858 4.350 0.014 0.000 0.291 941 T C 1.332 175.719 174.700 -0.521 0.000 0.954 941 T CA -0.523 61.455 62.100 -0.203 0.000 1.045 941 T CB 1.370 70.180 68.868 -0.095 0.000 0.917 941 T HN 0.179 nan 8.240 nan 0.000 0.484 942 R N 1.540 121.947 120.500 -0.156 0.000 2.254 942 R HA 0.310 4.658 4.340 0.014 0.000 0.193 942 R C 0.547 176.860 176.300 0.022 0.000 0.929 942 R CA 0.251 56.319 56.100 -0.053 0.000 1.038 942 R CB 0.257 30.664 30.300 0.179 0.000 1.009 942 R HN 0.713 nan 8.270 nan 0.000 0.512 943 E N 0.215 120.447 120.200 0.054 0.000 2.354 943 E HA 0.305 4.663 4.350 0.014 0.000 0.283 943 E C -1.855 174.894 176.600 0.248 0.000 0.938 943 E CA -0.644 55.884 56.400 0.213 0.000 0.777 943 E CB 1.418 31.206 29.700 0.146 0.000 1.222 943 E HN -0.091 nan 8.360 nan 0.000 0.423 944 L N 3.904 125.334 121.223 0.345 0.000 2.410 944 L HA 0.592 4.941 4.340 0.014 0.000 0.270 944 L C -1.805 175.247 176.870 0.304 0.000 0.983 944 L CA -0.417 54.562 54.840 0.231 0.000 0.822 944 L CB 1.791 43.867 42.059 0.029 0.000 1.285 944 L HN 0.467 nan 8.230 nan 0.000 0.409 945 N N 4.384 123.235 118.700 0.252 0.000 2.372 945 N HA 0.390 5.138 4.740 0.014 0.000 0.285 945 N C -1.959 173.765 175.510 0.357 0.000 1.008 945 N CA -0.267 52.931 53.050 0.248 0.000 0.880 945 N CB 2.159 40.741 38.487 0.157 0.000 1.239 945 N HN 0.588 nan 8.380 nan 0.000 0.484 946 Y N 1.285 121.718 120.300 0.222 0.000 2.307 946 Y HA 0.394 4.952 4.550 0.014 0.000 0.323 946 Y C 0.636 176.647 175.900 0.185 0.000 1.100 946 Y CA 0.017 58.249 58.100 0.221 0.000 1.140 946 Y CB 0.529 39.175 38.460 0.309 0.000 1.159 946 Y HN 0.867 nan 8.280 nan 0.000 0.436 947 G N 6.574 115.225 108.800 -0.249 0.000 2.583 947 G HA2 -0.308 3.661 3.960 0.014 0.000 0.292 947 G HA3 -0.308 3.661 3.960 0.014 0.000 0.292 947 G C -1.619 173.168 174.900 -0.188 0.000 1.203 947 G CA 0.163 45.089 45.100 -0.289 0.000 0.987 947 G HN 0.552 nan 8.290 nan 0.000 0.554 948 P HA 0.148 nan 4.420 nan 0.000 0.240 948 P C 0.394 177.498 177.300 -0.327 0.000 1.190 948 P CA 0.894 63.794 63.100 -0.335 0.000 0.781 948 P CB 0.001 31.406 31.700 -0.492 0.000 0.931 949 H N 0.029 119.034 119.070 -0.109 0.000 2.496 949 H HA 0.474 5.039 4.556 0.014 0.000 0.342 949 H C -0.093 174.988 175.328 -0.412 0.000 1.170 949 H CA -0.124 55.753 56.048 -0.285 0.000 1.274 949 H CB 1.531 30.975 29.762 -0.529 0.000 1.538 949 H HN 0.027 nan 8.280 nan 0.000 0.542 950 Q N 1.462 121.020 119.800 -0.403 0.000 2.305 950 Q HA 0.228 4.576 4.340 0.014 0.000 0.271 950 Q C -1.550 174.183 176.000 -0.445 0.000 1.046 950 Q CA -0.686 54.960 55.803 -0.262 0.000 0.798 950 Q CB 2.115 30.826 28.738 -0.045 0.000 1.286 950 Q HN 0.564 nan 8.270 nan 0.000 0.435 951 W N 3.681 124.936 121.300 -0.076 0.000 2.632 951 W HA 0.584 5.252 4.660 0.014 0.000 0.328 951 W C -0.173 176.427 176.519 0.135 0.000 1.044 951 W CA -0.738 56.526 57.345 -0.134 0.000 1.225 951 W CB 1.924 31.083 29.460 -0.503 0.000 1.396 951 W HN 0.499 nan 8.180 nan 0.000 0.499 952 R N 0.627 121.363 120.500 0.394 0.000 2.744 952 R HA 0.778 5.126 4.340 0.014 0.000 0.279 952 R C 0.157 176.741 176.300 0.473 0.000 0.977 952 R CA -0.445 55.906 56.100 0.419 0.000 0.906 952 R CB 2.435 32.886 30.300 0.252 0.000 1.197 952 R HN 0.745 nan 8.270 nan 0.000 0.463 953 G N 0.553 109.622 108.800 0.448 0.000 2.566 953 G HA2 0.040 4.008 3.960 0.014 0.000 0.138 953 G HA3 0.040 4.008 3.960 0.014 0.000 0.138 953 G C -1.744 173.269 174.900 0.189 0.000 1.133 953 G CA -0.303 45.023 45.100 0.376 0.000 1.037 953 G HN 0.482 nan 8.290 nan 0.000 0.491 954 D N 0.099 120.605 120.400 0.177 0.000 2.472 954 D HA 0.556 5.204 4.640 0.014 0.000 0.248 954 D C -0.773 175.518 176.300 -0.014 0.000 1.271 954 D CA -0.481 53.519 54.000 -0.001 0.000 0.888 954 D CB 0.114 40.954 40.800 0.067 0.000 1.337 954 D HN 0.484 nan 8.370 nan 0.000 0.526 955 F N -0.332 119.614 119.950 -0.006 0.000 2.706 955 F HA 0.741 5.277 4.527 0.014 0.000 0.328 955 F C -0.825 174.932 175.800 -0.070 0.000 1.123 955 F CA -1.008 56.928 58.000 -0.108 0.000 0.978 955 F CB 0.799 39.733 39.000 -0.110 0.000 1.404 955 F HN -0.191 nan 8.300 nan 0.000 0.497 956 Q N 1.630 121.516 119.800 0.144 0.000 2.345 956 Q HA 0.648 4.996 4.340 0.014 0.000 0.268 956 Q C -1.308 174.766 176.000 0.122 0.000 1.054 956 Q CA -0.542 55.254 55.803 -0.012 0.000 0.835 956 Q CB 2.717 31.332 28.738 -0.205 0.000 1.339 956 Q HN 0.878 nan 8.270 nan 0.000 0.447 957 F N -1.012 118.836 119.950 -0.170 0.000 2.693 957 F HA 0.716 5.252 4.527 0.014 0.000 0.309 957 F C -1.683 173.906 175.800 -0.353 0.000 1.129 957 F CA -1.057 56.792 58.000 -0.252 0.000 0.948 957 F CB 1.459 40.332 39.000 -0.210 0.000 1.315 957 F HN 0.579 nan 8.300 nan 0.000 0.447 958 N N 2.105 120.659 118.700 -0.244 0.000 2.357 958 N HA 0.771 5.520 4.740 0.014 0.000 0.284 958 N C -2.079 173.384 175.510 -0.079 0.000 1.236 958 N CA -0.792 52.083 53.050 -0.290 0.000 0.774 958 N CB 2.686 41.011 38.487 -0.271 0.000 1.534 958 N HN 1.118 nan 8.380 nan 0.000 0.478 959 I N 0.147 120.660 120.570 -0.097 0.000 2.680 959 I HA 0.658 4.836 4.170 0.014 0.000 0.291 959 I C -1.469 174.566 176.117 -0.138 0.000 1.244 959 I CA 0.023 61.227 61.300 -0.159 0.000 1.042 959 I CB 1.418 39.248 38.000 -0.284 0.000 1.277 959 I HN 1.062 nan 8.210 nan 0.000 0.423 960 S N 6.257 121.886 115.700 -0.118 0.000 2.655 960 S HA 0.500 4.978 4.470 0.014 0.000 0.266 960 S C -0.317 174.167 174.600 -0.195 0.000 1.149 960 S CA -0.935 57.186 58.200 -0.132 0.000 0.818 960 S CB 1.723 64.913 63.200 -0.016 0.000 1.130 960 S HN 0.625 nan 8.310 nan 0.000 0.476 961 R N 0.006 120.207 120.500 -0.498 0.000 2.335 961 R HA 0.281 4.630 4.340 0.014 0.000 0.223 961 R C -0.930 175.007 176.300 -0.604 0.000 0.940 961 R CA 0.276 56.056 56.100 -0.534 0.000 1.086 961 R CB -1.121 28.744 30.300 -0.725 0.000 1.073 961 R HN 0.655 nan 8.270 nan 0.000 0.504 962 Y N -0.210 120.038 120.300 -0.088 0.000 2.376 962 Y HA 0.225 4.783 4.550 0.014 0.000 0.340 962 Y C 0.714 176.394 175.900 -0.368 0.000 0.965 962 Y CA -1.151 56.814 58.100 -0.225 0.000 1.078 962 Y CB 1.426 39.708 38.460 -0.298 0.000 1.193 962 Y HN -0.106 nan 8.280 nan 0.000 0.452 963 S N 1.473 116.834 115.700 -0.564 0.000 2.600 963 S HA 0.063 4.541 4.470 0.014 0.000 0.265 963 S C 0.851 175.113 174.600 -0.563 0.000 1.325 963 S CA -0.768 56.746 58.200 -1.144 0.000 1.002 963 S CB 1.132 63.481 63.200 -1.418 0.000 0.921 963 S HN 0.732 nan 8.310 nan 0.000 0.554 964 Q N 0.681 120.166 119.800 -0.525 0.000 2.124 964 Q HA -0.206 4.143 4.340 0.014 0.000 0.202 964 Q C 2.226 178.084 176.000 -0.236 0.000 0.977 964 Q CA 1.836 57.475 55.803 -0.273 0.000 0.850 964 Q CB -0.554 28.067 28.738 -0.195 0.000 0.901 964 Q HN 0.968 nan 8.270 nan 0.000 0.429 965 Q N 0.640 120.260 119.800 -0.300 0.000 2.061 965 Q HA -0.215 4.133 4.340 0.014 0.000 0.204 965 Q C 2.139 178.031 176.000 -0.180 0.000 0.984 965 Q CA 1.441 57.125 55.803 -0.199 0.000 0.846 965 Q CB 0.033 28.660 28.738 -0.185 0.000 0.902 965 Q HN 0.383 nan 8.270 nan 0.000 0.421 966 Q N -0.044 119.620 119.800 -0.226 0.000 2.084 966 Q HA -0.159 4.189 4.340 0.014 0.000 0.202 966 Q C 2.253 178.131 176.000 -0.203 0.000 0.978 966 Q CA 1.320 57.007 55.803 -0.194 0.000 0.844 966 Q CB -0.052 28.547 28.738 -0.232 0.000 0.898 966 Q HN 0.474 nan 8.270 nan 0.000 0.426 967 L N 0.054 121.150 121.223 -0.211 0.000 2.042 967 L HA -0.227 4.121 4.340 0.014 0.000 0.210 967 L C 2.641 179.387 176.870 -0.206 0.000 1.076 967 L CA 1.219 55.933 54.840 -0.211 0.000 0.749 967 L CB -0.350 41.618 42.059 -0.152 0.000 0.893 967 L HN 0.377 nan 8.230 nan 0.000 0.432 968 M N -0.532 118.974 119.600 -0.156 0.000 2.319 968 M HA -0.162 4.327 4.480 0.014 0.000 0.265 968 M C 1.483 177.715 176.300 -0.113 0.000 1.068 968 M CA 1.587 56.811 55.300 -0.126 0.000 1.118 968 M CB 0.118 32.650 32.600 -0.113 0.000 1.395 968 M HN 0.198 nan 8.290 nan 0.000 0.435 969 E N -0.536 119.594 120.200 -0.117 0.000 2.474 969 E HA 0.070 4.428 4.350 0.014 0.000 0.195 969 E C -0.449 176.103 176.600 -0.080 0.000 1.039 969 E CA 0.068 56.421 56.400 -0.078 0.000 0.881 969 E CB 0.520 30.183 29.700 -0.061 0.000 0.970 969 E HN 0.302 nan 8.360 nan 0.000 0.486 970 T N 0.192 114.662 114.554 -0.139 0.000 2.812 970 T HA 0.089 4.448 4.350 0.014 0.000 0.282 970 T C 0.965 175.569 174.700 -0.160 0.000 0.990 970 T CA -0.554 61.465 62.100 -0.135 0.000 0.960 970 T CB 1.712 70.467 68.868 -0.189 0.000 0.948 970 T HN 0.011 nan 8.240 nan 0.000 0.438 971 S N 1.746 117.455 115.700 0.015 0.000 2.489 971 S HA 0.042 4.520 4.470 0.014 0.000 0.228 971 S C 0.276 174.933 174.600 0.096 0.000 0.995 971 S CA 0.454 58.751 58.200 0.162 0.000 0.934 971 S CB -0.279 63.151 63.200 0.385 0.000 0.771 971 S HN 0.755 nan 8.310 nan 0.000 0.522 972 H N 0.250 119.298 119.070 -0.036 0.000 2.856 972 H HA 0.475 5.039 4.556 0.014 0.000 0.355 972 H C 0.861 176.128 175.328 -0.102 0.000 1.079 972 H CA -0.617 55.452 56.048 0.035 0.000 1.240 972 H CB 1.539 31.289 29.762 -0.020 0.000 1.701 972 H HN 0.126 nan 8.280 nan 0.000 0.527 973 R N 2.018 122.596 120.500 0.130 0.000 2.133 973 R HA -0.229 4.119 4.340 0.014 0.000 0.247 973 R C 1.306 177.596 176.300 -0.018 0.000 1.151 973 R CA 2.251 58.374 56.100 0.038 0.000 0.971 973 R CB -0.533 29.833 30.300 0.110 0.000 0.866 973 R HN 0.818 nan 8.270 nan 0.000 0.447 974 H N 0.915 119.969 119.070 -0.027 0.000 2.545 974 H HA 0.010 4.575 4.556 0.014 0.000 0.282 974 H C 1.511 176.742 175.328 -0.162 0.000 1.020 974 H CA 0.980 56.971 56.048 -0.096 0.000 1.243 974 H CB -0.113 29.585 29.762 -0.107 0.000 1.377 974 H HN 0.359 nan 8.280 nan 0.000 0.581 975 L N 0.903 121.694 121.223 -0.720 0.000 2.592 975 L HA 0.199 4.548 4.340 0.014 0.000 0.227 975 L C 0.803 177.516 176.870 -0.261 0.000 1.127 975 L CA -0.163 54.350 54.840 -0.545 0.000 0.884 975 L CB 0.089 41.802 42.059 -0.577 0.000 1.065 975 L HN 0.057 nan 8.230 nan 0.000 0.457 976 L N 1.337 122.398 121.223 -0.270 0.000 2.456 976 L HA 0.064 4.412 4.340 0.014 0.000 0.272 976 L C 0.300 177.122 176.870 -0.079 0.000 1.189 976 L CA 0.108 54.769 54.840 -0.299 0.000 0.846 976 L CB 0.236 41.895 42.059 -0.667 0.000 1.111 976 L HN 0.236 nan 8.230 nan 0.000 0.475 977 H N 2.097 121.178 119.070 0.019 0.000 2.572 977 H HA 0.589 5.153 4.556 0.014 0.000 0.359 977 H C -0.687 174.757 175.328 0.194 0.000 1.134 977 H CA -1.264 54.836 56.048 0.086 0.000 1.187 977 H CB 1.393 31.164 29.762 0.014 0.000 1.597 977 H HN 0.662 nan 8.280 nan 0.000 0.524 978 A N 3.522 126.438 122.820 0.160 0.000 2.520 978 A HA 0.088 4.417 4.320 0.014 0.000 0.245 978 A C 0.367 177.974 177.584 0.038 0.000 1.072 978 A CA -0.173 51.813 52.037 -0.086 0.000 0.761 978 A CB -0.114 18.810 19.000 -0.128 0.000 1.004 978 A HN 0.853 nan 8.150 nan 0.000 0.499 979 E N 1.036 121.221 120.200 -0.024 0.000 2.359 979 E HA 0.215 4.573 4.350 0.014 0.000 0.255 979 E C -0.047 176.598 176.600 0.076 0.000 1.191 979 E CA -0.679 55.800 56.400 0.131 0.000 0.952 979 E CB 0.625 30.466 29.700 0.236 0.000 1.152 979 E HN 0.798 nan 8.360 nan 0.000 0.496 980 E N -0.064 120.181 120.200 0.075 0.000 2.373 980 E HA 0.259 4.617 4.350 0.014 0.000 0.267 980 E C 0.175 176.747 176.600 -0.046 0.000 1.032 980 E CA 0.496 56.901 56.400 0.009 0.000 0.889 980 E CB 0.480 30.180 29.700 0.001 0.000 0.984 980 E HN 0.654 nan 8.360 nan 0.000 0.425 981 G N 2.378 111.149 108.800 -0.049 0.000 2.693 981 G HA2 -0.212 3.756 3.960 0.014 0.000 0.226 981 G HA3 -0.212 3.756 3.960 0.014 0.000 0.226 981 G C -0.672 174.177 174.900 -0.085 0.000 1.354 981 G CA -0.263 44.788 45.100 -0.081 0.000 0.873 981 G HN 0.589 nan 8.290 nan 0.000 0.562 982 T N 0.282 114.767 114.554 -0.116 0.000 2.841 982 T HA 0.512 4.871 4.350 0.014 0.000 0.285 982 T C -0.726 173.839 174.700 -0.225 0.000 0.991 982 T CA -0.134 61.905 62.100 -0.102 0.000 0.966 982 T CB 1.301 70.182 68.868 0.022 0.000 0.962 982 T HN 0.560 nan 8.240 nan 0.000 0.438 983 W N 3.177 124.381 121.300 -0.160 0.000 2.322 983 W HA 0.604 5.273 4.660 0.014 0.000 0.307 983 W C -0.332 176.052 176.519 -0.225 0.000 1.220 983 W CA -0.708 56.541 57.345 -0.162 0.000 1.210 983 W CB 0.826 30.202 29.460 -0.140 0.000 1.223 983 W HN 0.367 nan 8.180 nan 0.000 0.511 984 L N 5.825 127.029 121.223 -0.030 0.000 2.325 984 L HA 0.486 4.834 4.340 0.014 0.000 0.281 984 L C -0.968 175.788 176.870 -0.191 0.000 1.004 984 L CA -0.500 54.197 54.840 -0.237 0.000 0.823 984 L CB 0.745 42.496 42.059 -0.513 0.000 1.236 984 L HN 0.313 nan 8.230 nan 0.000 0.415 985 N N 7.138 125.725 118.700 -0.188 0.000 2.476 985 N HA 0.444 5.193 4.740 0.014 0.000 0.257 985 N C -1.128 174.234 175.510 -0.247 0.000 0.970 985 N CA -0.247 52.693 53.050 -0.184 0.000 0.938 985 N CB 2.178 40.590 38.487 -0.125 0.000 1.144 985 N HN 0.540 nan 8.380 nan 0.000 0.500 986 I N 2.064 122.439 120.570 -0.325 0.000 2.382 986 I HA 0.231 4.409 4.170 0.014 0.000 0.286 986 I C -0.682 175.243 176.117 -0.321 0.000 1.002 986 I CA -0.536 60.528 61.300 -0.393 0.000 1.135 986 I CB 1.623 39.208 38.000 -0.692 0.000 1.288 986 I HN 0.189 nan 8.210 nan 0.000 0.448 987 D N 4.607 124.856 120.400 -0.252 0.000 2.256 987 D HA 0.286 4.934 4.640 0.014 0.000 0.246 987 D C 0.959 176.956 176.300 -0.503 0.000 1.042 987 D CA -0.270 53.517 54.000 -0.355 0.000 0.841 987 D CB 2.556 43.248 40.800 -0.180 0.000 1.223 987 D HN 0.692 nan 8.370 nan 0.000 0.470 988 G N 0.992 109.173 108.800 -1.031 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 0.092 174.225 174.900 -1.278 0.000 1.156 988 G CA 0.559 44.932 45.100 -1.211 0.000 0.793 988 G HN 0.365 nan 8.290 nan 0.000 0.535 989 F N -2.089 117.657 119.950 -0.341 0.000 2.601 989 F HA 0.611 5.146 4.527 0.014 0.000 0.309 989 F C -0.573 175.123 175.800 -0.173 0.000 1.089 989 F CA -1.214 56.661 58.000 -0.207 0.000 0.940 989 F CB 2.124 40.915 39.000 -0.348 0.000 1.273 989 F HN 0.033 nan 8.300 nan 0.000 0.450 990 H N 1.752 120.812 119.070 -0.017 0.000 2.856 990 H HA 0.508 5.073 4.556 0.014 0.000 0.355 990 H C -0.819 174.524 175.328 0.026 0.000 1.079 990 H CA -0.843 55.178 56.048 -0.045 0.000 1.240 990 H CB 1.788 31.511 29.762 -0.064 0.000 1.701 990 H HN 0.785 nan 8.280 nan 0.000 0.527 991 M N 3.476 123.027 119.600 -0.083 0.000 2.245 991 M HA 0.272 4.760 4.480 0.014 0.000 0.330 991 M C 0.544 176.954 176.300 0.185 0.000 1.098 991 M CA 0.491 55.807 55.300 0.027 0.000 1.172 991 M CB 0.361 32.879 32.600 -0.138 0.000 1.467 991 M HN 0.827 nan 8.290 nan 0.000 0.454 992 G N 2.557 111.450 108.800 0.156 0.000 2.684 992 G HA2 0.296 4.264 3.960 0.014 0.000 0.255 992 G HA3 0.296 4.264 3.960 0.014 0.000 0.255 992 G C 0.570 175.465 174.900 -0.009 0.000 1.219 992 G CA -0.320 44.809 45.100 0.048 0.000 0.901 992 G HN 0.974 nan 8.290 nan 0.000 0.548 993 I N -2.196 118.319 120.570 -0.091 0.000 3.854 993 I HA 0.423 4.601 4.170 0.014 0.000 0.312 993 I C 1.206 177.270 176.117 -0.088 0.000 1.273 993 I CA 0.435 61.650 61.300 -0.141 0.000 1.298 993 I CB -0.511 37.309 38.000 -0.301 0.000 1.071 993 I HN 0.942 nan 8.210 nan 0.000 0.428 994 G N 1.666 110.432 108.800 -0.057 0.000 2.645 994 G HA2 0.029 3.998 3.960 0.014 0.000 0.246 994 G HA3 0.029 3.998 3.960 0.014 0.000 0.246 994 G C 0.574 175.478 174.900 0.006 0.000 1.322 994 G CA 0.146 45.248 45.100 0.004 0.000 0.898 994 G HN 1.387 nan 8.290 nan 0.000 0.573 995 G N -2.332 106.485 108.800 0.028 0.000 2.370 995 G HA2 0.019 3.987 3.960 0.014 0.000 0.174 995 G HA3 0.019 3.987 3.960 0.014 0.000 0.174 995 G C 0.644 175.596 174.900 0.088 0.000 1.002 995 G CA 0.903 46.026 45.100 0.039 0.000 0.730 995 G HN 0.985 nan 8.290 nan 0.000 0.497 996 D N 1.223 121.695 120.400 0.121 0.000 2.203 996 D HA 0.064 4.712 4.640 0.014 0.000 0.199 996 D C 1.047 177.395 176.300 0.081 0.000 0.997 996 D CA 2.137 56.274 54.000 0.228 0.000 0.863 996 D CB 0.120 41.067 40.800 0.244 0.000 0.928 996 D HN 0.828 nan 8.370 nan 0.000 0.458 997 D N -3.439 116.800 120.400 -0.268 0.000 2.615 997 D HA 0.371 5.019 4.640 0.014 0.000 0.267 997 D C -0.756 175.063 176.300 -0.802 0.000 1.236 997 D CA -0.751 52.666 54.000 -0.973 0.000 0.839 997 D CB 1.054 40.741 40.800 -1.855 0.000 1.380 997 D HN -0.304 nan 8.370 nan 0.000 0.433 998 S N -0.496 114.595 115.700 -1.014 0.000 2.651 998 S HA 0.238 4.716 4.470 0.014 0.000 0.246 998 S C -0.719 173.812 174.600 -0.114 0.000 1.039 998 S CA -0.703 57.349 58.200 -0.248 0.000 1.013 998 S CB -0.475 62.868 63.200 0.239 0.000 0.861 998 S HN 0.617 nan 8.310 nan 0.000 0.485 999 W N 1.113 122.312 121.300 -0.168 0.000 1.948 999 W HA 0.592 5.260 4.660 0.013 0.000 0.300 999 W C -0.089 176.344 176.519 -0.143 0.000 0.890 999 W CA -0.624 56.603 57.345 -0.197 0.000 1.799 999 W CB -0.639 28.637 29.460 -0.307 0.000 1.073 999 W HN 0.155 nan 8.180 nan 0.000 0.499 1000 S N -1.545 113.990 115.700 -0.275 0.000 2.611 1000 S HA 0.640 5.119 4.470 0.014 0.000 0.268 1000 S C -3.231 171.281 174.600 -0.146 0.000 1.156 1000 S CA -1.521 56.582 58.200 -0.162 0.000 0.817 1000 S CB 1.599 64.718 63.200 -0.135 0.000 1.122 1000 S HN -0.218 nan 8.310 nan 0.000 0.466 1001 P HA 0.281 nan 4.420 nan 0.000 0.267 1001 P C 0.258 177.580 177.300 0.038 0.000 1.205 1001 P CA -0.116 62.964 63.100 -0.032 0.000 0.765 1001 P CB 0.839 32.425 31.700 -0.191 0.000 0.828 1002 S N 0.513 116.286 115.700 0.121 0.000 2.960 1002 S HA 0.158 4.637 4.470 0.014 0.000 0.256 1002 S C 0.094 174.778 174.600 0.139 0.000 1.017 1002 S CA -0.318 57.929 58.200 0.078 0.000 1.144 1002 S CB -0.314 62.874 63.200 -0.019 0.000 1.109 1002 S HN 0.105 nan 8.310 nan 0.000 0.638 1003 V N 2.646 122.695 119.914 0.225 0.000 2.432 1003 V HA 0.440 4.568 4.120 0.014 0.000 0.271 1003 V C 0.806 177.053 176.094 0.255 0.000 1.046 1003 V CA -0.376 62.043 62.300 0.199 0.000 0.945 1003 V CB 1.142 33.022 31.823 0.095 0.000 0.992 1003 V HN 0.502 nan 8.190 nan 0.000 0.471 1004 S N 3.729 119.592 115.700 0.273 0.000 2.573 1004 S HA 0.269 4.748 4.470 0.014 0.000 0.277 1004 S C 1.548 176.289 174.600 0.235 0.000 1.346 1004 S CA 0.142 58.496 58.200 0.258 0.000 1.034 1004 S CB 1.093 64.476 63.200 0.305 0.000 0.879 1004 S HN 0.994 nan 8.310 nan 0.000 0.528 1005 A N 3.277 126.192 122.820 0.158 0.000 1.917 1005 A HA -0.149 4.179 4.320 0.014 0.000 0.219 1005 A C 1.999 179.613 177.584 0.050 0.000 1.182 1005 A CA 1.854 53.970 52.037 0.131 0.000 0.633 1005 A CB -0.708 18.346 19.000 0.091 0.000 0.819 1005 A HN 0.959 nan 8.150 nan 0.000 0.448 1006 E N -0.799 119.365 120.200 -0.061 0.000 2.463 1006 E HA -0.136 4.222 4.350 0.014 0.000 0.201 1006 E C 0.639 176.993 176.600 -0.409 0.000 1.045 1006 E CA 0.806 57.051 56.400 -0.259 0.000 0.872 1006 E CB -0.418 29.051 29.700 -0.386 0.000 0.797 1006 E HN 0.679 nan 8.360 nan 0.000 0.538 1007 F N 0.999 120.997 119.950 0.079 0.000 2.661 1007 F HA 0.279 4.814 4.527 0.013 0.000 0.306 1007 F C 0.764 176.591 175.800 0.045 0.000 1.094 1007 F CA -0.557 57.488 58.000 0.075 0.000 1.254 1007 F CB 0.568 39.614 39.000 0.077 0.000 1.040 1007 F HN -0.190 nan 8.300 nan 0.000 0.562 1008 Q N 1.328 121.223 119.800 0.158 0.000 2.235 1008 Q HA 0.396 4.745 4.340 0.014 0.000 0.250 1008 Q C -0.195 175.818 176.000 0.023 0.000 0.909 1008 Q CA -0.452 55.407 55.803 0.094 0.000 0.910 1008 Q CB 1.812 30.696 28.738 0.242 0.000 1.223 1008 Q HN 0.260 nan 8.270 nan 0.000 0.432 1009 L N 2.526 123.744 121.223 -0.009 0.000 2.399 1009 L HA 0.109 4.458 4.340 0.014 0.000 0.257 1009 L C 0.568 177.400 176.870 -0.064 0.000 1.236 1009 L CA -0.073 54.760 54.840 -0.011 0.000 1.144 1009 L CB -0.301 41.648 42.059 -0.184 0.000 1.379 1009 L HN 0.704 nan 8.230 nan 0.000 0.414 1010 S N -1.058 114.519 115.700 -0.206 0.000 2.568 1010 S HA 0.154 4.633 4.470 0.014 0.000 0.232 1010 S C 1.567 176.086 174.600 -0.135 0.000 0.975 1010 S CA 0.147 58.054 58.200 -0.489 0.000 0.949 1010 S CB 0.735 63.513 63.200 -0.702 0.000 0.829 1010 S HN 0.526 nan 8.310 nan 0.000 0.479 1011 A N 1.328 124.101 122.820 -0.079 0.000 2.168 1011 A HA 0.487 4.815 4.320 0.014 0.000 0.215 1011 A C 2.063 179.471 177.584 -0.294 0.000 1.152 1011 A CA 1.014 52.861 52.037 -0.317 0.000 0.716 1011 A CB -1.192 17.383 19.000 -0.709 0.000 0.794 1011 A HN 1.416 nan 8.150 nan 0.000 0.465 1012 G N -1.163 107.571 108.800 -0.111 0.000 2.640 1012 G HA2 -0.301 3.667 3.960 0.014 0.000 0.226 1012 G HA3 -0.301 3.667 3.960 0.014 0.000 0.226 1012 G C 0.463 175.343 174.900 -0.034 0.000 1.222 1012 G CA 0.465 45.557 45.100 -0.014 0.000 0.729 1012 G HN 0.676 nan 8.290 nan 0.000 0.516 1013 R N -0.499 119.850 120.500 -0.251 0.000 2.561 1013 R HA 0.694 5.043 4.340 0.014 0.000 0.297 1013 R C -1.526 174.517 176.300 -0.427 0.000 0.969 1013 R CA -0.581 55.415 56.100 -0.172 0.000 0.879 1013 R CB 1.538 31.777 30.300 -0.101 0.000 1.178 1013 R HN 0.260 nan 8.270 nan 0.000 0.445 1014 Y N 0.219 120.498 120.300 -0.036 0.000 2.512 1014 Y HA 0.343 4.901 4.550 0.014 0.000 0.348 1014 Y C -0.465 175.551 175.900 0.193 0.000 0.990 1014 Y CA -0.826 57.203 58.100 -0.117 0.000 1.033 1014 Y CB 2.212 40.438 38.460 -0.390 0.000 1.259 1014 Y HN 0.575 nan 8.280 nan 0.000 0.461 1015 H N 2.502 121.804 119.070 0.387 0.000 2.600 1015 H HA 0.625 5.190 4.556 0.014 0.000 0.357 1015 H C -1.680 174.051 175.328 0.671 0.000 1.106 1015 H CA -0.871 55.421 56.048 0.408 0.000 1.193 1015 H CB 1.240 31.145 29.762 0.238 0.000 1.594 1015 H HN 0.572 nan 8.280 nan 0.000 0.526 1016 Y N 1.552 121.659 120.300 -0.322 0.000 2.656 1016 Y HA 0.450 5.009 4.550 0.014 0.000 0.334 1016 Y C -1.942 173.780 175.900 -0.297 0.000 1.179 1016 Y CA -1.049 56.954 58.100 -0.161 0.000 1.050 1016 Y CB 1.486 39.957 38.460 0.019 0.000 1.308 1016 Y HN 0.754 nan 8.280 nan 0.000 0.456 1017 Q N 2.884 122.682 119.800 -0.003 0.000 2.340 1017 Q HA 0.608 4.956 4.340 0.014 0.000 0.276 1017 Q C -2.551 173.543 176.000 0.156 0.000 1.048 1017 Q CA -0.904 54.890 55.803 -0.016 0.000 0.832 1017 Q CB 2.977 31.752 28.738 0.061 0.000 1.373 1017 Q HN 0.972 nan 8.270 nan 0.000 0.409 1018 L N 2.921 124.223 121.223 0.132 0.000 2.434 1018 L HA 0.613 4.962 4.340 0.014 0.000 0.260 1018 L C -1.394 175.599 176.870 0.206 0.000 0.983 1018 L CA -0.828 54.129 54.840 0.195 0.000 0.820 1018 L CB 2.563 44.714 42.059 0.154 0.000 1.361 1018 L HN 0.552 nan 8.230 nan 0.000 0.410 1019 V N 2.740 122.799 119.914 0.241 0.000 2.378 1019 V HA 0.362 4.490 4.120 0.014 0.000 0.288 1019 V C -0.943 175.316 176.094 0.275 0.000 1.016 1019 V CA -0.546 61.900 62.300 0.243 0.000 0.840 1019 V CB 1.982 33.923 31.823 0.196 0.000 0.994 1019 V HN 0.601 nan 8.190 nan 0.000 0.431 1020 W N 7.091 128.453 121.300 0.104 0.000 2.429 1020 W HA 0.711 5.380 4.660 0.014 0.000 0.314 1020 W C -0.212 176.306 176.519 -0.002 0.000 1.062 1020 W CA -1.163 56.152 57.345 -0.049 0.000 1.211 1020 W CB 1.455 30.947 29.460 0.055 0.000 1.305 1020 W HN 0.831 nan 8.180 nan 0.000 0.476 1021 C N 3.917 123.444 119.300 0.379 0.000 3.236 1021 C HA 0.823 5.291 4.460 0.014 0.000 0.312 1021 C C -0.672 174.413 174.990 0.159 0.000 1.374 1021 C CA -0.902 58.257 59.018 0.235 0.000 1.455 1021 C CB 1.510 29.340 27.740 0.151 0.000 1.834 1021 C HN 0.705 nan 8.230 nan 0.000 0.460 1022 Q N 1.808 121.645 119.800 0.062 0.000 2.316 1022 Q HA 0.867 5.215 4.340 0.014 0.000 0.264 1022 Q C -0.851 175.131 176.000 -0.030 0.000 0.987 1022 Q CA -0.003 55.781 55.803 -0.032 0.000 0.852 1022 Q CB 1.088 29.762 28.738 -0.107 0.000 1.287 1022 Q HN 0.860 nan 8.270 nan 0.000 0.448 1023 K N 0.000 120.369 120.400 -0.051 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.037 0.000 0.838 1023 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543