REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jz7_1_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 EVQMXGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.059 176.300 -0.403 0.000 0.893 13 R CA 0.000 55.952 56.100 -0.247 0.000 0.921 13 R CB 0.000 30.161 30.300 -0.232 0.000 0.687 14 R N 1.752 121.924 120.500 -0.546 0.000 3.070 14 R HA 0.136 4.484 4.340 0.013 0.000 0.252 14 R C 0.015 175.783 176.300 -0.887 0.000 1.370 14 R CA -0.371 55.025 56.100 -1.173 0.000 1.482 14 R CB 0.359 30.108 30.300 -0.918 0.000 1.220 14 R HN 0.482 nan 8.270 nan 0.000 0.622 15 D N 1.116 121.181 120.400 -0.559 0.000 2.309 15 D HA -0.180 4.468 4.640 0.013 0.000 0.212 15 D C 1.314 177.511 176.300 -0.172 0.000 0.968 15 D CA 1.076 54.842 54.000 -0.391 0.000 0.882 15 D CB 0.158 40.583 40.800 -0.625 0.000 0.918 15 D HN 0.650 nan 8.370 nan 0.000 0.503 16 W N 1.270 122.567 121.300 -0.005 0.000 3.077 16 W HA 0.175 4.842 4.660 0.013 0.000 0.245 16 W C 0.436 177.042 176.519 0.144 0.000 1.316 16 W CA -0.217 57.234 57.345 0.177 0.000 1.537 16 W CB -0.224 29.396 29.460 0.267 0.000 1.131 16 W HN -0.187 nan 8.180 nan 0.000 0.695 17 E N 1.084 121.171 120.200 -0.187 0.000 3.306 17 E HA 0.055 4.413 4.350 0.013 0.000 0.197 17 E C -0.770 175.679 176.600 -0.251 0.000 0.980 17 E CA -0.236 56.073 56.400 -0.152 0.000 1.259 17 E CB -0.161 29.448 29.700 -0.152 0.000 1.112 17 E HN 0.026 nan 8.360 nan 0.000 0.458 18 N N 1.080 119.665 118.700 -0.191 0.000 2.571 18 N HA 0.152 4.900 4.740 0.013 0.000 0.286 18 N C -2.405 172.963 175.510 -0.237 0.000 1.138 18 N CA -2.005 50.899 53.050 -0.244 0.000 0.859 18 N CB 1.593 39.949 38.487 -0.218 0.000 1.414 18 N HN -0.186 nan 8.380 nan 0.000 0.529 19 P HA 0.119 nan 4.420 nan 0.000 0.237 19 P C 1.015 178.072 177.300 -0.404 0.000 1.178 19 P CA 0.508 63.278 63.100 -0.551 0.000 0.766 19 P CB 0.173 31.073 31.700 -1.332 0.000 0.876 20 G N -0.392 108.215 108.800 -0.320 0.000 2.712 20 G HA2 0.070 4.038 3.960 0.013 0.000 0.212 20 G HA3 0.070 4.038 3.960 0.013 0.000 0.212 20 G C 0.266 175.086 174.900 -0.132 0.000 1.142 20 G CA 0.157 45.123 45.100 -0.223 0.000 0.789 20 G HN 0.187 nan 8.290 nan 0.000 0.535 21 V N 1.933 121.785 119.914 -0.103 0.000 2.304 21 V HA 0.279 4.407 4.120 0.013 0.000 0.278 21 V C 0.899 177.041 176.094 0.080 0.000 1.018 21 V CA 0.132 62.421 62.300 -0.019 0.000 0.814 21 V CB 0.985 32.780 31.823 -0.048 0.000 1.021 21 V HN 0.323 nan 8.190 nan 0.000 0.440 22 T N 0.702 115.303 114.554 0.079 0.000 3.023 22 T HA 0.356 4.714 4.350 0.013 0.000 0.253 22 T C 0.282 175.041 174.700 0.099 0.000 1.038 22 T CA 0.030 62.188 62.100 0.097 0.000 0.962 22 T CB 0.269 69.144 68.868 0.012 0.000 1.018 22 T HN 0.688 nan 8.240 nan 0.000 0.521 23 Q N 0.215 120.115 119.800 0.165 0.000 2.776 23 Q HA 0.678 5.026 4.340 0.013 0.000 0.289 23 Q C -2.236 173.906 176.000 0.237 0.000 0.912 23 Q CA -1.059 54.837 55.803 0.154 0.000 0.789 23 Q CB 0.896 29.641 28.738 0.012 0.000 1.498 23 Q HN 0.210 nan 8.270 nan 0.000 0.408 24 L N 1.674 123.068 121.223 0.285 0.000 2.438 24 L HA 0.611 4.959 4.340 0.013 0.000 0.270 24 L C -0.572 176.427 176.870 0.216 0.000 0.972 24 L CA -0.902 54.106 54.840 0.281 0.000 0.831 24 L CB 1.904 44.254 42.059 0.484 0.000 1.273 24 L HN 0.843 nan 8.230 nan 0.000 0.405 25 N N 0.845 119.639 118.700 0.156 0.000 2.753 25 N HA -0.209 4.539 4.740 0.013 0.000 0.251 25 N C 0.161 175.767 175.510 0.159 0.000 1.097 25 N CA 0.837 53.968 53.050 0.134 0.000 0.786 25 N CB -0.784 37.730 38.487 0.045 0.000 1.137 25 N HN 0.653 nan 8.380 nan 0.000 0.566 26 R N 0.892 121.410 120.500 0.029 0.000 2.441 26 R HA 0.411 4.759 4.340 0.013 0.000 0.284 26 R C 0.564 176.736 176.300 -0.214 0.000 1.070 26 R CA -0.392 55.507 56.100 -0.336 0.000 1.047 26 R CB 0.573 30.663 30.300 -0.351 0.000 1.016 26 R HN 0.111 nan 8.270 nan 0.000 0.477 27 L N 2.836 123.900 121.223 -0.264 0.000 2.466 27 L HA 0.302 4.650 4.340 0.013 0.000 0.257 27 L C 0.688 177.506 176.870 -0.086 0.000 1.189 27 L CA -0.554 54.218 54.840 -0.112 0.000 0.813 27 L CB 0.699 42.715 42.059 -0.071 0.000 1.118 27 L HN 0.754 nan 8.230 nan 0.000 0.471 28 A N 1.146 123.955 122.820 -0.019 0.000 2.466 28 A HA 0.512 4.840 4.320 0.013 0.000 0.238 28 A C 0.262 177.868 177.584 0.038 0.000 1.074 28 A CA 0.031 52.068 52.037 0.001 0.000 0.774 28 A CB 0.207 19.227 19.000 0.033 0.000 1.015 28 A HN 0.794 nan 8.150 nan 0.000 0.498 29 A N 1.052 123.846 122.820 -0.043 0.000 2.287 29 A HA 0.728 5.056 4.320 0.013 0.000 0.273 29 A C 0.068 177.578 177.584 -0.123 0.000 1.091 29 A CA 0.408 52.346 52.037 -0.165 0.000 0.817 29 A CB 0.042 18.924 19.000 -0.198 0.000 1.069 29 A HN 1.877 nan 8.150 nan 0.000 0.492 30 H N -2.735 116.173 119.070 -0.270 0.000 2.904 30 H HA 0.617 5.181 4.556 0.013 0.000 0.290 30 H C -3.399 171.639 175.328 -0.483 0.000 1.437 30 H CA -1.741 54.084 56.048 -0.372 0.000 1.147 30 H CB 0.087 29.508 29.762 -0.568 0.000 1.824 30 H HN 0.386 nan 8.280 nan 0.000 0.505 31 P HA 0.244 nan 4.420 nan 0.000 0.274 31 P C -2.613 174.510 177.300 -0.296 0.000 1.246 31 P CA -1.504 61.378 63.100 -0.364 0.000 0.795 31 P CB -0.093 31.330 31.700 -0.461 0.000 1.006 32 P HA 0.062 nan 4.420 nan 0.000 0.264 32 P C -0.783 176.710 177.300 0.321 0.000 1.193 32 P CA 1.092 64.222 63.100 0.051 0.000 0.763 32 P CB -0.045 31.729 31.700 0.123 0.000 0.810 33 F N 1.268 121.320 119.950 0.171 0.000 2.579 33 F HA 0.608 5.143 4.527 0.013 0.000 0.324 33 F C 0.910 176.638 175.800 -0.121 0.000 1.058 33 F CA -1.040 57.008 58.000 0.080 0.000 0.944 33 F CB 2.217 41.235 39.000 0.029 0.000 1.245 33 F HN 0.202 nan 8.300 nan 0.000 0.477 34 A N 0.389 123.125 122.820 -0.141 0.000 2.653 34 A HA 0.259 4.587 4.320 0.013 0.000 0.248 34 A C 0.550 177.840 177.584 -0.491 0.000 1.211 34 A CA 0.317 52.032 52.037 -0.537 0.000 0.991 34 A CB -0.053 18.102 19.000 -1.409 0.000 1.252 34 A HN 0.732 nan 8.150 nan 0.000 0.593 35 S N 0.432 115.959 115.700 -0.288 0.000 3.550 35 S HA -0.146 4.332 4.470 0.013 0.000 0.372 35 S C -0.023 174.519 174.600 -0.096 0.000 0.966 35 S CA 0.420 58.506 58.200 -0.189 0.000 1.229 35 S CB -1.491 61.591 63.200 -0.197 0.000 0.917 35 S HN 0.488 nan 8.310 nan 0.000 0.496 36 W N 1.613 122.901 121.300 -0.020 0.000 2.181 36 W HA 0.253 4.921 4.660 0.013 0.000 0.335 36 W C 1.278 177.790 176.519 -0.011 0.000 1.310 36 W CA -0.520 56.825 57.345 -0.000 0.000 1.226 36 W CB 0.296 29.751 29.460 -0.008 0.000 1.155 36 W HN 0.304 nan 8.180 nan 0.000 0.565 37 R N 2.166 122.813 120.500 0.245 0.000 2.613 37 R HA 0.089 4.437 4.340 0.013 0.000 0.361 37 R C -0.131 176.242 176.300 0.122 0.000 1.072 37 R CA -0.159 56.028 56.100 0.145 0.000 1.089 37 R CB -0.216 30.154 30.300 0.116 0.000 1.343 37 R HN 0.348 nan 8.270 nan 0.000 0.571 38 N N -0.021 118.762 118.700 0.138 0.000 2.500 38 N HA 0.117 4.865 4.740 0.013 0.000 0.291 38 N C -0.083 175.409 175.510 -0.031 0.000 1.092 38 N CA -0.019 53.062 53.050 0.050 0.000 0.890 38 N CB 1.810 40.329 38.487 0.053 0.000 1.466 38 N HN -0.258 nan 8.380 nan 0.000 0.507 39 S N 2.254 117.915 115.700 -0.065 0.000 2.382 39 S HA -0.158 4.320 4.470 0.013 0.000 0.228 39 S C 1.378 175.819 174.600 -0.264 0.000 1.027 39 S CA 1.178 59.294 58.200 -0.140 0.000 0.991 39 S CB 0.034 63.178 63.200 -0.094 0.000 0.823 39 S HN 0.740 nan 8.310 nan 0.000 0.469 40 E N 1.521 121.585 120.200 -0.228 0.000 2.152 40 E HA -0.109 4.249 4.350 0.013 0.000 0.192 40 E C 1.862 178.261 176.600 -0.335 0.000 0.983 40 E CA 1.023 57.247 56.400 -0.295 0.000 0.818 40 E CB -0.137 29.445 29.700 -0.196 0.000 0.758 40 E HN 0.279 nan 8.360 nan 0.000 0.467 41 E N 0.123 120.153 120.200 -0.283 0.000 2.106 41 E HA -0.116 4.242 4.350 0.013 0.000 0.192 41 E C 1.959 178.045 176.600 -0.857 0.000 0.984 41 E CA 1.093 57.301 56.400 -0.321 0.000 0.806 41 E CB -0.412 29.256 29.700 -0.053 0.000 0.750 41 E HN 0.380 nan 8.360 nan 0.000 0.458 42 A N 1.518 123.608 122.820 -1.217 0.000 1.930 42 A HA -0.172 4.156 4.320 0.013 0.000 0.217 42 A C 2.221 179.172 177.584 -1.055 0.000 1.175 42 A CA 1.492 52.365 52.037 -1.940 0.000 0.627 42 A CB -0.462 17.928 19.000 -1.017 0.000 0.815 42 A HN 0.124 nan 8.150 nan 0.000 0.443 43 R N -0.046 120.038 120.500 -0.694 0.000 2.081 43 R HA -0.140 4.208 4.340 0.013 0.000 0.235 43 R C 1.950 177.982 176.300 -0.447 0.000 1.131 43 R CA 2.123 57.872 56.100 -0.584 0.000 0.960 43 R CB -0.482 29.342 30.300 -0.794 0.000 0.856 43 R HN 0.611 nan 8.270 nan 0.000 0.436 44 T N -2.688 111.619 114.554 -0.411 0.000 3.129 44 T HA 0.043 4.401 4.350 0.013 0.000 0.251 44 T C 0.329 174.934 174.700 -0.159 0.000 1.117 44 T CA 0.566 62.518 62.100 -0.246 0.000 1.034 44 T CB 0.066 68.822 68.868 -0.187 0.000 0.968 44 T HN 0.374 nan 8.240 nan 0.000 0.526 45 D N 0.590 120.844 120.400 -0.243 0.000 3.012 45 D HA -0.160 4.488 4.640 0.013 0.000 0.222 45 D C 0.197 176.613 176.300 0.194 0.000 1.167 45 D CA 0.513 54.519 54.000 0.010 0.000 0.854 45 D CB -1.053 39.800 40.800 0.089 0.000 1.107 45 D HN 0.587 nan 8.370 nan 0.000 0.421 46 R N -0.092 120.487 120.500 0.133 0.000 2.652 46 R HA 0.481 4.829 4.340 0.013 0.000 0.271 46 R C -2.122 174.444 176.300 0.443 0.000 1.129 46 R CA -1.281 54.953 56.100 0.225 0.000 1.200 46 R CB 0.048 30.421 30.300 0.121 0.000 1.146 46 R HN 0.046 nan 8.270 nan 0.000 0.581 47 P HA -0.040 nan 4.420 nan 0.000 0.267 47 P C -0.839 176.620 177.300 0.265 0.000 1.200 47 P CA 0.352 63.592 63.100 0.233 0.000 0.772 47 P CB 0.749 32.533 31.700 0.141 0.000 0.855 48 S N 1.390 117.118 115.700 0.045 0.000 2.451 48 S HA 0.147 4.625 4.470 0.013 0.000 0.301 48 S C 0.892 175.515 174.600 0.038 0.000 1.116 48 S CA -0.486 57.687 58.200 -0.045 0.000 1.093 48 S CB 0.556 63.456 63.200 -0.500 0.000 1.017 48 S HN 0.325 nan 8.310 nan 0.000 0.482 49 Q N 2.007 121.873 119.800 0.110 0.000 2.437 49 Q HA -0.010 4.339 4.340 0.013 0.000 0.210 49 Q C 0.977 177.128 176.000 0.251 0.000 0.972 49 Q CA 0.729 56.622 55.803 0.149 0.000 0.903 49 Q CB 0.118 28.946 28.738 0.149 0.000 0.967 49 Q HN 0.671 nan 8.270 nan 0.000 0.486 50 Q N -0.078 119.837 119.800 0.193 0.000 2.403 50 Q HA 0.069 4.417 4.340 0.013 0.000 0.203 50 Q C -0.192 175.904 176.000 0.159 0.000 0.932 50 Q CA 0.244 56.193 55.803 0.243 0.000 0.945 50 Q CB 0.410 29.178 28.738 0.051 0.000 1.045 50 Q HN 0.132 nan 8.270 nan 0.000 0.511 51 L N 0.848 122.138 121.223 0.111 0.000 2.377 51 L HA 0.388 4.736 4.340 0.013 0.000 0.270 51 L C -1.088 175.846 176.870 0.106 0.000 0.991 51 L CA -0.266 54.613 54.840 0.065 0.000 0.851 51 L CB 1.109 43.127 42.059 -0.069 0.000 1.218 51 L HN -0.162 nan 8.230 nan 0.000 0.420 52 R N 2.499 123.090 120.500 0.153 0.000 2.637 52 R HA 0.599 4.947 4.340 0.013 0.000 0.291 52 R C -0.571 175.761 176.300 0.053 0.000 0.963 52 R CA -0.738 55.423 56.100 0.102 0.000 0.901 52 R CB 2.084 32.449 30.300 0.108 0.000 1.160 52 R HN 0.650 nan 8.270 nan 0.000 0.457 53 S N 2.219 117.942 115.700 0.037 0.000 2.537 53 S HA 0.249 4.727 4.470 0.013 0.000 0.275 53 S C 0.634 175.254 174.600 0.033 0.000 1.272 53 S CA -0.612 57.604 58.200 0.027 0.000 1.050 53 S CB 0.475 63.698 63.200 0.038 0.000 0.961 53 S HN 0.556 nan 8.310 nan 0.000 0.496 54 L N 3.677 124.924 121.223 0.040 0.000 2.741 54 L HA 0.288 4.636 4.340 0.013 0.000 0.237 54 L C 0.170 177.217 176.870 0.295 0.000 1.178 54 L CA -0.405 54.498 54.840 0.104 0.000 0.973 54 L CB -0.395 41.705 42.059 0.068 0.000 1.255 54 L HN 0.516 nan 8.230 nan 0.000 0.498 55 N N 1.368 120.178 118.700 0.183 0.000 2.441 55 N HA 0.436 5.184 4.740 0.013 0.000 0.251 55 N C 0.666 176.313 175.510 0.229 0.000 1.242 55 N CA 1.059 54.216 53.050 0.179 0.000 0.898 55 N CB 1.174 39.701 38.487 0.067 0.000 1.100 55 N HN 0.325 nan 8.380 nan 0.000 0.443 56 G N 0.620 109.575 108.800 0.258 0.000 2.240 56 G HA2 -0.080 3.888 3.960 0.013 0.000 0.199 56 G HA3 -0.080 3.888 3.960 0.013 0.000 0.199 56 G C -1.516 173.599 174.900 0.357 0.000 1.342 56 G CA -0.792 44.450 45.100 0.236 0.000 1.145 56 G HN 0.465 nan 8.290 nan 0.000 0.477 57 E N 0.191 120.568 120.200 0.295 0.000 2.194 57 E HA 0.447 4.805 4.350 0.013 0.000 0.284 57 E C -0.933 175.903 176.600 0.395 0.000 1.035 57 E CA -0.212 56.373 56.400 0.308 0.000 0.836 57 E CB 1.028 30.826 29.700 0.162 0.000 1.070 57 E HN 0.342 nan 8.360 nan 0.000 0.401 58 W N 1.782 123.178 121.300 0.159 0.000 2.703 58 W HA 0.394 5.062 4.660 0.014 0.000 0.359 58 W C 0.282 176.931 176.519 0.216 0.000 1.168 58 W CA -0.709 56.764 57.345 0.213 0.000 1.177 58 W CB 0.741 30.393 29.460 0.319 0.000 1.434 58 W HN 0.184 nan 8.180 nan 0.000 0.618 59 R N 1.442 122.226 120.500 0.474 0.000 2.474 59 R HA 0.603 4.951 4.340 0.013 0.000 0.295 59 R C -1.476 175.075 176.300 0.418 0.000 0.980 59 R CA -0.858 55.454 56.100 0.353 0.000 0.934 59 R CB 1.428 31.874 30.300 0.243 0.000 1.101 59 R HN 0.470 nan 8.270 nan 0.000 0.469 60 F N 0.371 120.359 119.950 0.063 0.000 2.601 60 F HA 0.653 5.188 4.527 0.013 0.000 0.309 60 F C -1.622 174.013 175.800 -0.275 0.000 1.089 60 F CA -0.636 57.257 58.000 -0.179 0.000 0.940 60 F CB 2.065 40.840 39.000 -0.373 0.000 1.273 60 F HN 0.636 nan 8.300 nan 0.000 0.450 61 A N 3.897 125.897 122.820 -1.365 0.000 2.486 61 A HA 0.582 4.910 4.320 0.013 0.000 0.300 61 A C -2.462 174.104 177.584 -1.697 0.000 1.048 61 A CA -0.539 50.795 52.037 -1.172 0.000 0.696 61 A CB 0.795 19.362 19.000 -0.721 0.000 1.278 61 A HN 0.956 nan 8.150 nan 0.000 0.405 62 W N 2.427 122.834 121.300 -1.487 0.000 2.469 62 W HA 0.744 5.412 4.660 0.013 0.000 0.320 62 W C -1.758 174.078 176.519 -1.138 0.000 1.086 62 W CA -0.314 56.315 57.345 -1.194 0.000 1.211 62 W CB 1.029 30.074 29.460 -0.692 0.000 1.298 62 W HN 0.498 nan 8.180 nan 0.000 0.525 63 F N 6.232 125.475 119.950 -1.177 0.000 2.588 63 F HA 0.380 4.915 4.527 0.013 0.000 0.314 63 F C -1.227 173.641 175.800 -1.553 0.000 1.069 63 F CA -2.189 55.209 58.000 -1.003 0.000 0.931 63 F CB 1.830 40.440 39.000 -0.650 0.000 1.260 63 F HN 0.219 nan 8.300 nan 0.000 0.465 64 P HA 0.108 nan 4.420 nan 0.000 0.229 64 P C -0.282 176.884 177.300 -0.223 0.000 1.160 64 P CA 0.907 63.730 63.100 -0.461 0.000 0.777 64 P CB 0.785 32.492 31.700 0.010 0.000 0.814 65 A N -0.658 122.041 122.820 -0.202 0.000 2.586 65 A HA 0.518 4.846 4.320 0.013 0.000 0.291 65 A C -2.501 174.975 177.584 -0.181 0.000 1.062 65 A CA -0.915 51.053 52.037 -0.115 0.000 0.666 65 A CB 0.398 19.392 19.000 -0.010 0.000 1.281 65 A HN -0.288 nan 8.150 nan 0.000 0.421 66 P HA -0.042 nan 4.420 nan 0.000 0.221 66 P C 0.654 177.866 177.300 -0.146 0.000 1.150 66 P CA 1.315 64.292 63.100 -0.205 0.000 0.800 66 P CB 0.204 31.762 31.700 -0.236 0.000 0.787 67 E N 0.136 120.307 120.200 -0.048 0.000 2.401 67 E HA -0.055 4.303 4.350 0.013 0.000 0.199 67 E C 1.880 178.403 176.600 -0.128 0.000 1.023 67 E CA 1.080 57.455 56.400 -0.043 0.000 0.859 67 E CB -0.819 28.890 29.700 0.014 0.000 0.780 67 E HN 0.252 nan 8.360 nan 0.000 0.523 68 A N 0.146 122.838 122.820 -0.213 0.000 2.275 68 A HA 0.135 4.463 4.320 0.013 0.000 0.212 68 A C 0.632 177.826 177.584 -0.650 0.000 1.201 68 A CA -0.209 51.666 52.037 -0.269 0.000 0.843 68 A CB 0.425 19.361 19.000 -0.106 0.000 0.873 68 A HN 0.041 nan 8.150 nan 0.000 0.492 69 V N 2.478 121.921 119.914 -0.785 0.000 2.488 69 V HA 0.233 4.362 4.120 0.013 0.000 0.277 69 V C -2.292 173.467 176.094 -0.558 0.000 1.046 69 V CA -1.397 60.233 62.300 -1.117 0.000 0.986 69 V CB 0.685 31.918 31.823 -0.982 0.000 0.989 69 V HN 0.271 nan 8.190 nan 0.000 0.475 70 P HA 0.221 nan 4.420 nan 0.000 0.276 70 P C 0.737 177.986 177.300 -0.086 0.000 1.230 70 P CA -0.492 62.500 63.100 -0.181 0.000 0.776 70 P CB 0.615 32.263 31.700 -0.087 0.000 0.888 71 E N 0.998 121.156 120.200 -0.070 0.000 2.160 71 E HA -0.218 4.140 4.350 0.013 0.000 0.195 71 E C 1.511 178.086 176.600 -0.043 0.000 0.991 71 E CA 1.538 57.900 56.400 -0.064 0.000 0.810 71 E CB -0.671 28.997 29.700 -0.055 0.000 0.742 71 E HN 0.441 nan 8.360 nan 0.000 0.466 72 S N 0.863 116.556 115.700 -0.012 0.000 2.402 72 S HA -0.254 4.224 4.470 0.013 0.000 0.233 72 S C 1.697 176.312 174.600 0.025 0.000 1.030 72 S CA 0.975 59.176 58.200 0.002 0.000 1.003 72 S CB -0.957 62.255 63.200 0.020 0.000 0.813 72 S HN 0.665 nan 8.310 nan 0.000 0.477 73 W N 2.426 123.637 121.300 -0.148 0.000 2.387 73 W HA 0.031 4.699 4.660 0.013 0.000 0.272 73 W C 1.589 178.004 176.519 -0.174 0.000 1.224 73 W CA 0.770 58.032 57.345 -0.138 0.000 1.210 73 W CB -0.417 28.941 29.460 -0.171 0.000 1.125 73 W HN 0.288 nan 8.180 nan 0.000 0.572 74 L N 0.197 121.185 121.223 -0.391 0.000 2.083 74 L HA -0.188 4.160 4.340 0.013 0.000 0.209 74 L C 2.274 178.904 176.870 -0.400 0.000 1.083 74 L CA 1.949 56.407 54.840 -0.637 0.000 0.752 74 L CB -0.678 41.041 42.059 -0.567 0.000 0.899 74 L HN -0.014 nan 8.230 nan 0.000 0.433 75 E N -1.905 118.156 120.200 -0.232 0.000 2.290 75 E HA 0.078 4.436 4.350 0.013 0.000 0.197 75 E C -0.059 176.472 176.600 -0.115 0.000 0.948 75 E CA 0.169 56.488 56.400 -0.134 0.000 0.895 75 E CB 0.629 30.285 29.700 -0.074 0.000 0.865 75 E HN 0.308 nan 8.360 nan 0.000 0.486 76 C N 0.573 119.812 119.300 -0.102 0.000 2.712 76 C HA 0.369 4.837 4.460 0.013 0.000 0.308 76 C C -0.635 174.351 174.990 -0.008 0.000 1.201 76 C CA -1.455 57.534 59.018 -0.049 0.000 1.554 76 C CB 1.280 29.015 27.740 -0.009 0.000 2.117 76 C HN 0.362 nan 8.230 nan 0.000 0.480 77 D N 1.104 121.514 120.400 0.017 0.000 2.472 77 D HA 0.213 4.861 4.640 0.013 0.000 0.237 77 D C -0.505 175.871 176.300 0.126 0.000 1.141 77 D CA 0.364 54.416 54.000 0.087 0.000 0.875 77 D CB 0.558 41.398 40.800 0.067 0.000 1.192 77 D HN 0.362 nan 8.370 nan 0.000 0.450 78 L N 5.723 127.062 121.223 0.194 0.000 2.331 78 L HA 0.263 4.611 4.340 0.013 0.000 0.278 78 L C -1.145 175.779 176.870 0.090 0.000 1.106 78 L CA -1.525 53.401 54.840 0.143 0.000 0.824 78 L CB 1.251 43.395 42.059 0.141 0.000 1.142 78 L HN 0.512 nan 8.230 nan 0.000 0.443 79 P HA -0.137 nan 4.420 nan 0.000 0.219 79 P C 0.631 177.953 177.300 0.037 0.000 1.150 79 P CA 1.050 64.178 63.100 0.046 0.000 0.814 79 P CB 0.201 31.923 31.700 0.036 0.000 0.787 80 E N -0.075 120.142 120.200 0.028 0.000 2.511 80 E HA 0.220 4.578 4.350 0.013 0.000 0.196 80 E C 0.976 177.573 176.600 -0.005 0.000 1.066 80 E CA -0.011 56.393 56.400 0.007 0.000 0.871 80 E CB -0.743 28.947 29.700 -0.017 0.000 0.863 80 E HN 0.198 nan 8.360 nan 0.000 0.520 81 A N 1.042 123.868 122.820 0.011 0.000 2.313 81 A HA 0.248 4.576 4.320 0.013 0.000 0.261 81 A C -0.133 177.490 177.584 0.065 0.000 1.090 81 A CA -0.472 51.568 52.037 0.005 0.000 0.807 81 A CB 0.417 19.445 19.000 0.048 0.000 1.055 81 A HN -0.007 nan 8.150 nan 0.000 0.492 82 D N -0.189 120.278 120.400 0.112 0.000 2.272 82 D HA 0.486 5.134 4.640 0.013 0.000 0.247 82 D C -0.673 175.736 176.300 0.182 0.000 0.990 82 D CA 0.041 54.136 54.000 0.159 0.000 0.931 82 D CB 1.490 42.444 40.800 0.257 0.000 1.195 82 D HN 0.372 nan 8.370 nan 0.000 0.477 83 T N 0.680 115.323 114.554 0.149 0.000 2.744 83 T HA 0.482 4.840 4.350 0.013 0.000 0.291 83 T C 0.161 174.947 174.700 0.142 0.000 0.957 83 T CA -0.526 61.669 62.100 0.158 0.000 1.002 83 T CB 0.579 69.514 68.868 0.112 0.000 0.919 83 T HN 0.258 nan 8.240 nan 0.000 0.468 84 V N 1.458 121.489 119.914 0.194 0.000 3.102 84 V HA 0.792 4.920 4.120 0.013 0.000 0.312 84 V C -0.267 175.947 176.094 0.199 0.000 1.135 84 V CA -1.048 61.325 62.300 0.122 0.000 1.022 84 V CB 1.692 33.585 31.823 0.116 0.000 1.056 84 V HN 0.490 nan 8.190 nan 0.000 0.436 85 V N 1.973 121.979 119.914 0.153 0.000 2.583 85 V HA 0.500 4.628 4.120 0.013 0.000 0.287 85 V C 0.016 176.206 176.094 0.161 0.000 1.051 85 V CA -0.029 62.369 62.300 0.164 0.000 1.010 85 V CB 1.369 33.252 31.823 0.100 0.000 0.988 85 V HN 0.747 nan 8.190 nan 0.000 0.478 86 V N 7.272 127.217 119.914 0.052 0.000 2.588 86 V HA 0.458 4.586 4.120 0.013 0.000 0.304 86 V C -2.315 173.695 176.094 -0.141 0.000 1.042 86 V CA -1.728 60.467 62.300 -0.176 0.000 0.877 86 V CB 2.477 33.876 31.823 -0.707 0.000 0.996 86 V HN 0.753 nan 8.190 nan 0.000 0.425 87 P HA 0.465 nan 4.420 nan 0.000 0.277 87 P C -0.845 176.391 177.300 -0.107 0.000 1.240 87 P CA -0.141 62.851 63.100 -0.179 0.000 0.798 87 P CB 1.240 32.841 31.700 -0.165 0.000 0.979 88 S N 0.201 115.842 115.700 -0.099 0.000 2.595 88 S HA 0.412 4.890 4.470 0.013 0.000 0.270 88 S C -1.234 173.296 174.600 -0.117 0.000 1.145 88 S CA -1.042 57.084 58.200 -0.124 0.000 0.825 88 S CB 0.502 63.569 63.200 -0.223 0.000 1.107 88 S HN 0.330 nan 8.310 nan 0.000 0.461 89 N N 0.842 119.416 118.700 -0.211 0.000 2.421 89 N HA 0.446 5.194 4.740 0.013 0.000 0.285 89 N C 0.506 175.849 175.510 -0.278 0.000 1.027 89 N CA -0.805 52.093 53.050 -0.254 0.000 0.918 89 N CB 0.689 39.000 38.487 -0.293 0.000 1.152 89 N HN 0.865 nan 8.380 nan 0.000 0.485 90 W N 2.275 123.439 121.300 -0.228 0.000 2.525 90 W HA -0.012 4.657 4.660 0.014 0.000 0.259 90 W C 0.965 177.452 176.519 -0.053 0.000 1.253 90 W CA 0.556 57.762 57.345 -0.232 0.000 1.262 90 W CB -0.353 28.967 29.460 -0.233 0.000 1.122 90 W HN 0.518 nan 8.180 nan 0.000 0.607 91 Q N 0.605 120.403 119.800 -0.003 0.000 2.170 91 Q HA -0.119 4.229 4.340 0.013 0.000 0.203 91 Q C 2.179 178.128 176.000 -0.085 0.000 0.976 91 Q CA 1.918 57.702 55.803 -0.032 0.000 0.858 91 Q CB -0.574 28.022 28.738 -0.236 0.000 0.907 91 Q HN 0.264 nan 8.270 nan 0.000 0.433 92 M N -0.828 118.681 119.600 -0.151 0.000 2.476 92 M HA -0.069 4.419 4.480 0.013 0.000 0.262 92 M C 0.735 177.080 176.300 0.074 0.000 1.079 92 M CA 1.444 56.675 55.300 -0.115 0.000 1.104 92 M CB -0.627 31.888 32.600 -0.141 0.000 1.409 92 M HN 0.386 nan 8.290 nan 0.000 0.467 93 H N -0.841 118.263 119.070 0.057 0.000 2.586 93 H HA 0.280 4.844 4.556 0.014 0.000 0.273 93 H C 1.287 176.545 175.328 -0.117 0.000 0.997 93 H CA 0.100 56.173 56.048 0.042 0.000 1.177 93 H CB 0.440 30.340 29.762 0.231 0.000 1.471 93 H HN 0.558 nan 8.280 nan 0.000 0.538 94 G N 0.591 109.416 108.800 0.042 0.000 2.159 94 G HA2 -0.366 3.602 3.960 0.013 0.000 0.256 94 G HA3 -0.366 3.602 3.960 0.013 0.000 0.256 94 G C 0.388 175.179 174.900 -0.182 0.000 0.977 94 G CA 0.361 45.410 45.100 -0.085 0.000 0.652 94 G HN 0.476 nan 8.290 nan 0.000 0.531 95 Y N 1.577 121.882 120.300 0.007 0.000 2.293 95 Y HA 0.250 4.809 4.550 0.013 0.000 0.291 95 Y C 1.680 177.308 175.900 -0.454 0.000 1.137 95 Y CA 1.555 59.530 58.100 -0.210 0.000 1.202 95 Y CB 0.205 38.591 38.460 -0.124 0.000 0.990 95 Y HN 0.654 nan 8.280 nan 0.000 0.537 96 D N -1.964 118.472 120.400 0.059 0.000 2.692 96 D HA 0.496 5.144 4.640 0.013 0.000 0.303 96 D C -1.210 175.157 176.300 0.112 0.000 1.278 96 D CA -0.894 53.141 54.000 0.057 0.000 0.852 96 D CB 0.744 41.697 40.800 0.255 0.000 1.375 96 D HN -0.069 nan 8.370 nan 0.000 0.453 97 A N 0.044 122.941 122.820 0.129 0.000 2.310 97 A HA 0.690 5.018 4.320 0.013 0.000 0.299 97 A C -2.313 175.286 177.584 0.026 0.000 1.147 97 A CA -1.226 50.862 52.037 0.086 0.000 0.818 97 A CB 0.171 19.291 19.000 0.201 0.000 1.096 97 A HN 0.544 nan 8.150 nan 0.000 0.495 98 P HA 0.381 nan 4.420 nan 0.000 0.275 98 P C -0.906 176.558 177.300 0.274 0.000 1.227 98 P CA 0.143 63.177 63.100 -0.111 0.000 0.781 98 P CB 0.824 32.187 31.700 -0.562 0.000 0.906 99 I N 3.059 123.884 120.570 0.424 0.000 2.404 99 I HA 0.241 4.419 4.170 0.013 0.000 0.293 99 I C -0.421 175.882 176.117 0.310 0.000 0.992 99 I CA -0.983 60.559 61.300 0.403 0.000 1.149 99 I CB 1.501 39.676 38.000 0.292 0.000 1.315 99 I HN 0.312 nan 8.210 nan 0.000 0.446 100 Y N 6.275 126.508 120.300 -0.112 0.000 2.478 100 Y HA 0.473 5.031 4.550 0.013 0.000 0.329 100 Y C -0.300 175.436 175.900 -0.273 0.000 0.967 100 Y CA -0.472 57.268 58.100 -0.601 0.000 1.255 100 Y CB 1.079 38.644 38.460 -1.492 0.000 1.103 100 Y HN 0.516 nan 8.280 nan 0.000 0.497 101 T N 5.171 119.182 114.554 -0.905 0.000 2.876 101 T HA 0.263 4.621 4.350 0.013 0.000 0.289 101 T C 0.217 174.425 174.700 -0.821 0.000 1.014 101 T CA -0.571 61.048 62.100 -0.801 0.000 0.986 101 T CB 1.083 69.724 68.868 -0.379 0.000 1.021 101 T HN 0.762 nan 8.240 nan 0.000 0.458 102 N N 2.791 121.056 118.700 -0.725 0.000 2.288 102 N HA 0.049 4.797 4.740 0.013 0.000 0.199 102 N C 1.611 176.840 175.510 -0.467 0.000 1.043 102 N CA 1.482 54.244 53.050 -0.481 0.000 0.947 102 N CB -0.654 37.566 38.487 -0.445 0.000 1.140 102 N HN 0.395 nan 8.380 nan 0.000 0.490 103 V N 0.500 120.073 119.914 -0.568 0.000 2.341 103 V HA 0.075 4.203 4.120 0.013 0.000 0.240 103 V C 0.489 176.257 176.094 -0.543 0.000 1.035 103 V CA 1.016 62.898 62.300 -0.697 0.000 1.033 103 V CB -0.900 30.402 31.823 -0.869 0.000 0.678 103 V HN 0.345 nan 8.190 nan 0.000 0.464 104 T N 0.913 115.222 114.554 -0.409 0.000 2.908 104 T HA 0.114 4.472 4.350 0.013 0.000 0.301 104 T C -0.340 174.218 174.700 -0.237 0.000 1.019 104 T CA 0.286 62.226 62.100 -0.266 0.000 1.152 104 T CB -0.245 68.504 68.868 -0.200 0.000 0.966 104 T HN 0.178 nan 8.240 nan 0.000 0.540 105 Y N 4.587 124.782 120.300 -0.174 0.000 2.550 105 Y HA 0.108 4.666 4.550 0.013 0.000 0.343 105 Y C -0.760 175.010 175.900 -0.216 0.000 1.245 105 Y CA -1.619 56.369 58.100 -0.186 0.000 1.462 105 Y CB 0.463 38.807 38.460 -0.192 0.000 1.340 105 Y HN 0.516 nan 8.280 nan 0.000 0.604 106 P HA -0.005 nan 4.420 nan 0.000 0.245 106 P C -0.364 176.714 177.300 -0.370 0.000 1.212 106 P CA 1.107 64.103 63.100 -0.173 0.000 0.774 106 P CB 0.014 31.665 31.700 -0.080 0.000 0.999 107 I N -5.387 114.941 120.570 -0.404 0.000 3.042 107 I HA 0.489 4.667 4.170 0.013 0.000 0.310 107 I C -0.612 175.365 176.117 -0.234 0.000 1.117 107 I CA -1.233 59.799 61.300 -0.447 0.000 1.003 107 I CB 1.796 39.385 38.000 -0.685 0.000 1.228 107 I HN -0.471 nan 8.210 nan 0.000 0.443 108 T N 2.919 117.376 114.554 -0.161 0.000 2.908 108 T HA 0.130 4.488 4.350 0.013 0.000 0.301 108 T C 0.235 174.909 174.700 -0.044 0.000 1.019 108 T CA -0.178 61.882 62.100 -0.066 0.000 1.152 108 T CB 0.469 69.323 68.868 -0.023 0.000 0.966 108 T HN 0.380 nan 8.240 nan 0.000 0.540 109 V N 5.140 125.042 119.914 -0.020 0.000 2.364 109 V HA 0.210 4.338 4.120 0.013 0.000 0.252 109 V C 0.722 176.856 176.094 0.066 0.000 1.075 109 V CA -0.162 62.141 62.300 0.005 0.000 1.033 109 V CB -0.392 31.419 31.823 -0.020 0.000 1.116 109 V HN 0.849 nan 8.190 nan 0.000 0.488 110 N N 5.832 124.632 118.700 0.167 0.000 2.732 110 N HA 0.258 5.006 4.740 0.013 0.000 0.230 110 N C -2.983 172.603 175.510 0.127 0.000 1.487 110 N CA -1.208 51.929 53.050 0.146 0.000 0.765 110 N CB 1.516 40.126 38.487 0.204 0.000 1.384 110 N HN 0.262 nan 8.380 nan 0.000 0.530 111 P HA 0.213 nan 4.420 nan 0.000 0.268 111 P C -2.246 174.851 177.300 -0.337 0.000 1.205 111 P CA -0.758 61.950 63.100 -0.654 0.000 0.771 111 P CB 0.538 31.682 31.700 -0.927 0.000 0.858 112 P HA 0.226 nan 4.420 nan 0.000 0.259 112 P C -0.482 176.677 177.300 -0.236 0.000 1.530 112 P CA -0.317 62.545 63.100 -0.397 0.000 1.022 112 P CB -0.023 31.421 31.700 -0.427 0.000 1.514 113 F N 1.027 121.083 119.950 0.176 0.000 2.380 113 F HA 0.319 4.854 4.527 0.014 0.000 0.325 113 F C 1.371 177.339 175.800 0.280 0.000 1.136 113 F CA -0.596 57.520 58.000 0.194 0.000 1.171 113 F CB 0.703 39.761 39.000 0.097 0.000 1.230 113 F HN -0.195 nan 8.300 nan 0.000 0.554 114 V N -1.136 119.034 119.914 0.427 0.000 3.141 114 V HA 0.696 4.824 4.120 0.013 0.000 0.312 114 V C -2.808 173.440 176.094 0.258 0.000 1.157 114 V CA -2.932 59.544 62.300 0.293 0.000 1.041 114 V CB 1.430 33.482 31.823 0.381 0.000 1.071 114 V HN 0.480 nan 8.190 nan 0.000 0.441 115 P HA 0.198 nan 4.420 nan 0.000 0.267 115 P C 1.034 178.471 177.300 0.228 0.000 1.200 115 P CA 0.497 63.684 63.100 0.145 0.000 0.772 115 P CB 0.503 32.254 31.700 0.084 0.000 0.855 116 T N -1.328 113.332 114.554 0.177 0.000 2.867 116 T HA -0.081 4.277 4.350 0.013 0.000 0.268 116 T C 0.612 175.421 174.700 0.181 0.000 1.057 116 T CA 0.864 63.074 62.100 0.183 0.000 1.136 116 T CB -0.397 68.546 68.868 0.125 0.000 0.874 116 T HN 0.359 nan 8.240 nan 0.000 0.466 117 E N 2.887 123.193 120.200 0.176 0.000 1.996 117 E HA 0.240 4.598 4.350 0.013 0.000 0.280 117 E C -0.743 176.021 176.600 0.272 0.000 1.092 117 E CA -0.165 56.347 56.400 0.186 0.000 0.862 117 E CB 0.299 30.109 29.700 0.184 0.000 1.066 117 E HN 0.259 nan 8.360 nan 0.000 0.396 118 N N 4.340 123.176 118.700 0.226 0.000 2.576 118 N HA 0.239 4.987 4.740 0.013 0.000 0.269 118 N C -2.888 172.665 175.510 0.072 0.000 1.058 118 N CA -2.303 50.919 53.050 0.286 0.000 0.860 118 N CB 1.328 39.962 38.487 0.244 0.000 1.249 118 N HN -0.011 nan 8.380 nan 0.000 0.525 119 P HA 0.009 nan 4.420 nan 0.000 0.260 119 P C -0.793 176.422 177.300 -0.142 0.000 1.172 119 P CA 0.550 63.604 63.100 -0.077 0.000 0.760 119 P CB 0.377 32.347 31.700 0.449 0.000 0.773 120 T N 2.965 117.165 114.554 -0.591 0.000 2.792 120 T HA 0.542 4.900 4.350 0.013 0.000 0.280 120 T C 0.329 174.550 174.700 -0.798 0.000 0.990 120 T CA -0.538 61.290 62.100 -0.453 0.000 0.960 120 T CB 1.433 70.071 68.868 -0.383 0.000 0.939 120 T HN 0.332 nan 8.240 nan 0.000 0.439 121 G N 1.206 109.616 108.800 -0.650 0.000 2.347 121 G HA2 0.472 4.440 3.960 0.013 0.000 0.314 121 G HA3 0.472 4.440 3.960 0.013 0.000 0.314 121 G C -0.263 174.447 174.900 -0.315 0.000 1.126 121 G CA -0.349 44.286 45.100 -0.775 0.000 0.929 121 G HN 0.859 nan 8.290 nan 0.000 0.441 122 C N 3.283 122.158 119.300 -0.709 0.000 2.239 122 C HA 0.480 4.948 4.460 0.013 0.000 0.323 122 C C -0.543 174.455 174.990 0.014 0.000 1.205 122 C CA -0.928 57.837 59.018 -0.421 0.000 1.584 122 C CB -1.524 25.495 27.740 -1.201 0.000 2.201 122 C HN 0.640 nan 8.230 nan 0.000 0.475 123 Y N 1.981 122.596 120.300 0.525 0.000 2.420 123 Y HA 0.638 5.196 4.550 0.014 0.000 0.334 123 Y C 0.786 177.163 175.900 0.796 0.000 1.094 123 Y CA -0.156 58.353 58.100 0.682 0.000 1.126 123 Y CB 1.530 40.353 38.460 0.605 0.000 1.217 123 Y HN 0.679 nan 8.280 nan 0.000 0.462 124 S N 2.389 118.608 115.700 0.865 0.000 2.556 124 S HA 0.817 5.295 4.470 0.013 0.000 0.271 124 S C -1.942 172.749 174.600 0.151 0.000 1.135 124 S CA -0.783 57.698 58.200 0.468 0.000 0.858 124 S CB 2.127 65.486 63.200 0.263 0.000 1.114 124 S HN 0.608 nan 8.310 nan 0.000 0.468 125 L N 0.915 122.037 121.223 -0.170 0.000 2.472 125 L HA 0.738 5.086 4.340 0.013 0.000 0.260 125 L C -0.950 175.845 176.870 -0.125 0.000 0.963 125 L CA 0.111 54.693 54.840 -0.430 0.000 0.829 125 L CB 2.299 43.570 42.059 -1.312 0.000 1.348 125 L HN 0.918 nan 8.230 nan 0.000 0.408 126 T N 5.054 119.560 114.554 -0.080 0.000 2.795 126 T HA 0.743 5.101 4.350 0.013 0.000 0.282 126 T C -0.755 173.969 174.700 0.041 0.000 0.980 126 T CA 0.038 62.124 62.100 -0.022 0.000 1.012 126 T CB 0.446 69.281 68.868 -0.055 0.000 0.936 126 T HN 0.482 nan 8.240 nan 0.000 0.457 127 F N 1.064 120.938 119.950 -0.128 0.000 2.715 127 F HA 0.823 5.358 4.527 0.014 0.000 0.318 127 F C -1.200 174.551 175.800 -0.082 0.000 1.141 127 F CA -1.355 56.577 58.000 -0.114 0.000 0.950 127 F CB 1.485 40.410 39.000 -0.125 0.000 1.374 127 F HN 0.366 nan 8.300 nan 0.000 0.477 128 N N -0.335 118.277 118.700 -0.147 0.000 2.455 128 N HA 0.723 5.471 4.740 0.013 0.000 0.278 128 N C -1.485 173.983 175.510 -0.071 0.000 1.291 128 N CA -0.727 52.180 53.050 -0.239 0.000 0.780 128 N CB 2.441 40.828 38.487 -0.167 0.000 1.520 128 N HN 0.751 nan 8.380 nan 0.000 0.486 129 V N -2.954 116.894 119.914 -0.110 0.000 3.046 129 V HA 0.585 4.713 4.120 0.013 0.000 0.316 129 V C -0.159 175.751 176.094 -0.307 0.000 1.104 129 V CA -0.985 61.202 62.300 -0.189 0.000 1.006 129 V CB 1.852 33.690 31.823 0.026 0.000 1.058 129 V HN 0.698 nan 8.190 nan 0.000 0.440 130 D N 0.700 120.729 120.400 -0.619 0.000 2.449 130 D HA -0.049 4.599 4.640 0.013 0.000 0.236 130 D C 0.964 177.125 176.300 -0.231 0.000 1.149 130 D CA 0.534 54.245 54.000 -0.481 0.000 0.878 130 D CB 1.681 42.010 40.800 -0.786 0.000 1.198 130 D HN 0.909 nan 8.370 nan 0.000 0.446 131 E N 1.779 121.905 120.200 -0.123 0.000 2.097 131 E HA -0.242 4.116 4.350 0.013 0.000 0.196 131 E C 1.882 178.499 176.600 0.029 0.000 1.000 131 E CA 2.260 58.639 56.400 -0.035 0.000 0.804 131 E CB -0.288 29.397 29.700 -0.025 0.000 0.740 131 E HN 0.473 nan 8.360 nan 0.000 0.454 132 S N -0.920 114.807 115.700 0.044 0.000 2.442 132 S HA -0.147 4.331 4.470 0.013 0.000 0.236 132 S C 1.634 176.367 174.600 0.221 0.000 1.007 132 S CA 0.943 59.225 58.200 0.137 0.000 0.965 132 S CB -0.734 62.566 63.200 0.166 0.000 0.773 132 S HN 0.414 nan 8.310 nan 0.000 0.504 133 W N 1.632 122.802 121.300 -0.217 0.000 2.467 133 W HA 0.358 5.026 4.660 0.014 0.000 0.275 133 W C 1.967 178.454 176.519 -0.053 0.000 1.239 133 W CA -0.551 56.601 57.345 -0.321 0.000 1.266 133 W CB -0.942 28.297 29.460 -0.368 0.000 1.112 133 W HN 0.326 nan 8.180 nan 0.000 0.576 134 L N -0.265 121.074 121.223 0.193 0.000 2.179 134 L HA -0.133 4.215 4.340 0.013 0.000 0.208 134 L C 2.394 179.332 176.870 0.113 0.000 1.096 134 L CA 0.988 55.908 54.840 0.132 0.000 0.779 134 L CB -0.789 41.316 42.059 0.077 0.000 0.922 134 L HN -0.001 nan 8.230 nan 0.000 0.443 135 Q N -0.047 119.822 119.800 0.114 0.000 1.993 135 Q HA -0.045 4.303 4.340 0.013 0.000 0.202 135 Q C 0.144 176.207 176.000 0.106 0.000 0.984 135 Q CA 1.035 56.896 55.803 0.097 0.000 0.837 135 Q CB 0.225 29.016 28.738 0.088 0.000 0.902 135 Q HN 0.436 nan 8.270 nan 0.000 0.423 136 E N -1.823 118.467 120.200 0.149 0.000 2.454 136 E HA 0.512 4.870 4.350 0.013 0.000 0.279 136 E C -0.486 176.241 176.600 0.212 0.000 1.029 136 E CA -0.092 56.390 56.400 0.138 0.000 0.831 136 E CB 1.700 31.463 29.700 0.104 0.000 1.405 136 E HN 0.281 nan 8.360 nan 0.000 0.463 137 G N 0.854 109.698 108.800 0.073 0.000 2.756 137 G HA2 -0.201 3.767 3.960 0.013 0.000 0.678 137 G HA3 -0.201 3.767 3.960 0.013 0.000 0.678 137 G C -0.846 174.006 174.900 -0.080 0.000 1.349 137 G CA -0.324 44.719 45.100 -0.094 0.000 0.847 137 G HN 0.454 nan 8.290 nan 0.000 0.548 138 Q N -0.081 119.564 119.800 -0.258 0.000 2.325 138 Q HA 0.605 4.953 4.340 0.013 0.000 0.262 138 Q C -0.648 175.276 176.000 -0.126 0.000 0.968 138 Q CA -0.415 55.311 55.803 -0.127 0.000 0.877 138 Q CB 1.008 29.670 28.738 -0.126 0.000 1.253 138 Q HN 0.571 nan 8.270 nan 0.000 0.448 139 T N 5.575 120.154 114.554 0.041 0.000 2.770 139 T HA 0.414 4.772 4.350 0.013 0.000 0.297 139 T C -0.436 174.314 174.700 0.084 0.000 0.997 139 T CA -0.606 61.529 62.100 0.059 0.000 0.949 139 T CB 0.400 69.393 68.868 0.208 0.000 0.941 139 T HN 0.612 nan 8.240 nan 0.000 0.457 140 R N 2.933 123.457 120.500 0.040 0.000 2.828 140 R HA 0.781 5.129 4.340 0.013 0.000 0.264 140 R C -0.924 175.418 176.300 0.070 0.000 1.022 140 R CA -0.997 55.148 56.100 0.075 0.000 1.021 140 R CB 1.452 31.782 30.300 0.052 0.000 1.163 140 R HN 0.534 nan 8.270 nan 0.000 0.494 141 I N 1.781 122.409 120.570 0.097 0.000 2.460 141 I HA 0.441 4.619 4.170 0.013 0.000 0.298 141 I C -1.076 175.056 176.117 0.024 0.000 0.989 141 I CA -1.264 60.044 61.300 0.013 0.000 1.173 141 I CB 1.389 39.401 38.000 0.020 0.000 1.338 141 I HN 0.596 nan 8.210 nan 0.000 0.456 142 I N 7.242 127.727 120.570 -0.142 0.000 2.447 142 I HA 0.310 4.488 4.170 0.013 0.000 0.287 142 I C -1.347 174.616 176.117 -0.257 0.000 1.023 142 I CA -0.389 60.857 61.300 -0.090 0.000 1.083 142 I CB 1.580 39.535 38.000 -0.075 0.000 1.245 142 I HN 0.392 nan 8.210 nan 0.000 0.434 143 F N 4.472 124.410 119.950 -0.020 0.000 2.347 143 F HA 0.291 4.826 4.527 0.013 0.000 0.366 143 F C 1.231 176.928 175.800 -0.172 0.000 1.107 143 F CA -0.541 57.380 58.000 -0.132 0.000 1.058 143 F CB 0.980 39.872 39.000 -0.181 0.000 1.236 143 F HN 0.445 nan 8.300 nan 0.000 0.456 144 D N 2.363 122.690 120.400 -0.122 0.000 2.264 144 D HA 0.057 4.705 4.640 0.013 0.000 0.208 144 D C 0.957 177.094 176.300 -0.272 0.000 0.966 144 D CA 0.864 54.741 54.000 -0.205 0.000 0.864 144 D CB 0.449 41.068 40.800 -0.302 0.000 0.933 144 D HN 0.636 nan 8.370 nan 0.000 0.499 145 G N -0.285 108.299 108.800 -0.359 0.000 2.505 145 G HA2 0.430 4.398 3.960 0.013 0.000 0.292 145 G HA3 0.430 4.398 3.960 0.013 0.000 0.292 145 G C -1.437 173.205 174.900 -0.429 0.000 1.332 145 G CA -0.405 44.365 45.100 -0.551 0.000 1.286 145 G HN -0.057 nan 8.290 nan 0.000 0.606 146 V N 2.602 122.467 119.914 -0.081 0.000 2.569 146 V HA 0.548 4.676 4.120 0.013 0.000 0.301 146 V C -0.885 175.293 176.094 0.140 0.000 1.044 146 V CA -1.171 61.088 62.300 -0.068 0.000 0.874 146 V CB 2.007 33.549 31.823 -0.470 0.000 1.002 146 V HN 0.704 nan 8.190 nan 0.000 0.424 147 N N 2.398 121.169 118.700 0.118 0.000 2.443 147 N HA 0.334 5.082 4.740 0.013 0.000 0.269 147 N C 0.585 176.021 175.510 -0.123 0.000 0.985 147 N CA 0.173 53.206 53.050 -0.027 0.000 0.921 147 N CB 2.274 40.604 38.487 -0.262 0.000 1.195 147 N HN 0.683 nan 8.380 nan 0.000 0.492 148 S N 1.987 117.656 115.700 -0.052 0.000 2.520 148 S HA 0.571 5.049 4.470 0.013 0.000 0.219 148 S C 0.344 175.004 174.600 0.100 0.000 1.028 148 S CA 0.141 58.361 58.200 0.034 0.000 0.921 148 S CB 0.331 63.569 63.200 0.063 0.000 0.844 148 S HN 0.676 nan 8.310 nan 0.000 0.495 149 A N 0.747 123.638 122.820 0.118 0.000 2.612 149 A HA 0.766 5.094 4.320 0.013 0.000 0.293 149 A C -1.359 176.311 177.584 0.142 0.000 1.075 149 A CA -0.974 51.098 52.037 0.058 0.000 0.680 149 A CB 0.779 19.859 19.000 0.133 0.000 1.279 149 A HN 1.110 nan 8.150 nan 0.000 0.411 150 F N -0.761 118.990 119.950 -0.332 0.000 2.719 150 F HA 0.728 5.263 4.527 0.013 0.000 0.309 150 F C -1.140 174.523 175.800 -0.229 0.000 1.138 150 F CA -0.817 57.085 58.000 -0.163 0.000 0.943 150 F CB 1.104 40.001 39.000 -0.172 0.000 1.304 150 F HN 0.632 nan 8.300 nan 0.000 0.445 151 H N 1.898 121.127 119.070 0.265 0.000 2.499 151 H HA 0.710 5.274 4.556 0.014 0.000 0.340 151 H C -1.413 173.884 175.328 -0.051 0.000 1.148 151 H CA -0.715 55.354 56.048 0.035 0.000 1.215 151 H CB 2.500 32.265 29.762 0.005 0.000 1.529 151 H HN 0.769 nan 8.280 nan 0.000 0.510 152 L N 3.016 124.021 121.223 -0.363 0.000 2.386 152 L HA 0.405 4.753 4.340 0.013 0.000 0.271 152 L C -1.582 174.968 176.870 -0.534 0.000 0.993 152 L CA -0.504 54.173 54.840 -0.272 0.000 0.819 152 L CB 1.426 43.194 42.059 -0.485 0.000 1.294 152 L HN 0.520 nan 8.230 nan 0.000 0.414 153 W N 4.391 125.651 121.300 -0.067 0.000 2.844 153 W HA 0.609 5.278 4.660 0.014 0.000 0.340 153 W C -1.128 175.329 176.519 -0.103 0.000 1.093 153 W CA -0.812 56.479 57.345 -0.090 0.000 1.212 153 W CB 2.059 31.506 29.460 -0.021 0.000 1.422 153 W HN 0.605 nan 8.180 nan 0.000 0.515 154 C N 4.348 123.713 119.300 0.108 0.000 2.482 154 C HA 0.318 4.786 4.460 0.013 0.000 0.317 154 C C 0.260 175.383 174.990 0.221 0.000 1.197 154 C CA -0.348 58.750 59.018 0.133 0.000 1.432 154 C CB -0.118 27.644 27.740 0.036 0.000 2.062 154 C HN 0.816 nan 8.230 nan 0.000 0.471 155 N N 3.370 122.164 118.700 0.156 0.000 2.727 155 N HA -0.189 4.559 4.740 0.013 0.000 0.249 155 N C 0.962 176.547 175.510 0.125 0.000 1.048 155 N CA 2.066 55.181 53.050 0.109 0.000 0.714 155 N CB -1.280 37.283 38.487 0.126 0.000 0.959 155 N HN 1.870 nan 8.380 nan 0.000 0.544 156 G N -1.227 107.640 108.800 0.111 0.000 2.184 156 G HA2 -0.369 3.599 3.960 0.013 0.000 0.264 156 G HA3 -0.369 3.599 3.960 0.013 0.000 0.264 156 G C 0.106 175.182 174.900 0.293 0.000 0.975 156 G CA 0.647 45.810 45.100 0.106 0.000 0.642 156 G HN 0.554 nan 8.290 nan 0.000 0.536 157 R N -0.954 119.781 120.500 0.392 0.000 2.393 157 R HA 0.406 4.754 4.340 0.013 0.000 0.310 157 R C -0.196 176.402 176.300 0.497 0.000 0.968 157 R CA -0.870 55.528 56.100 0.497 0.000 0.867 157 R CB 1.146 31.776 30.300 0.551 0.000 1.124 157 R HN 0.214 nan 8.270 nan 0.000 0.450 158 W N 3.773 125.226 121.300 0.256 0.000 2.251 158 W HA 0.047 4.715 4.660 0.013 0.000 0.327 158 W C 0.104 176.515 176.519 -0.180 0.000 1.361 158 W CA 0.132 57.324 57.345 -0.255 0.000 1.234 158 W CB 0.669 29.978 29.460 -0.251 0.000 1.212 158 W HN 0.340 nan 8.180 nan 0.000 0.557 159 V N 5.233 124.375 119.914 -1.286 0.000 2.743 159 V HA 0.548 4.676 4.120 0.013 0.000 0.237 159 V C 1.051 176.152 176.094 -1.655 0.000 1.113 159 V CA 0.980 62.517 62.300 -1.271 0.000 1.141 159 V CB -0.403 30.731 31.823 -1.149 0.000 0.873 159 V HN 0.831 nan 8.190 nan 0.000 0.486 160 G N -1.724 105.881 108.800 -1.992 0.000 2.428 160 G HA2 0.474 4.442 3.960 0.013 0.000 0.304 160 G HA3 0.474 4.442 3.960 0.013 0.000 0.304 160 G C -2.454 171.976 174.900 -0.783 0.000 1.303 160 G CA -0.269 44.007 45.100 -1.373 0.000 0.825 160 G HN 0.020 nan 8.290 nan 0.000 0.484 161 Y N -0.529 119.503 120.300 -0.447 0.000 2.562 161 Y HA 0.713 5.271 4.550 0.013 0.000 0.345 161 Y C -0.062 175.636 175.900 -0.337 0.000 1.045 161 Y CA -0.066 57.734 58.100 -0.501 0.000 1.028 161 Y CB 2.216 40.547 38.460 -0.214 0.000 1.297 161 Y HN 1.217 nan 8.280 nan 0.000 0.463 162 G N 3.497 111.451 108.800 -1.410 0.000 2.696 162 G HA2 0.610 4.578 3.960 0.013 0.000 0.295 162 G HA3 0.610 4.578 3.960 0.013 0.000 0.295 162 G C -2.104 172.299 174.900 -0.828 0.000 1.398 162 G CA -0.868 43.713 45.100 -0.865 0.000 0.920 162 G HN 0.620 nan 8.290 nan 0.000 0.492 163 Q N -0.342 119.246 119.800 -0.353 0.000 2.605 163 Q HA 0.569 4.917 4.340 0.013 0.000 0.296 163 Q C -1.517 174.478 176.000 -0.008 0.000 1.056 163 Q CA -0.850 54.882 55.803 -0.120 0.000 0.778 163 Q CB 2.848 31.574 28.738 -0.020 0.000 1.497 163 Q HN 0.663 nan 8.270 nan 0.000 0.443 164 D N -0.107 120.329 120.400 0.059 0.000 4.303 164 D HA -0.094 4.554 4.640 0.013 0.000 0.230 164 D C -0.493 175.869 176.300 0.103 0.000 1.172 164 D CA 0.481 54.531 54.000 0.083 0.000 1.001 164 D CB -0.606 40.226 40.800 0.054 0.000 0.641 164 D HN 0.540 nan 8.370 nan 0.000 0.296 165 S N 3.162 118.938 115.700 0.126 0.000 2.537 165 S HA -0.088 4.390 4.470 0.013 0.000 0.240 165 S C 1.537 176.275 174.600 0.230 0.000 0.981 165 S CA 0.653 58.957 58.200 0.173 0.000 0.948 165 S CB 0.220 63.483 63.200 0.104 0.000 0.759 165 S HN 0.462 nan 8.310 nan 0.000 0.531 166 R N 0.007 120.601 120.500 0.157 0.000 2.565 166 R HA 0.435 4.783 4.340 0.013 0.000 0.347 166 R C -0.449 175.912 176.300 0.103 0.000 1.010 166 R CA 0.045 56.239 56.100 0.158 0.000 1.126 166 R CB 0.230 30.647 30.300 0.195 0.000 1.331 166 R HN 0.316 nan 8.270 nan 0.000 0.552 167 L N 1.585 122.839 121.223 0.052 0.000 2.350 167 L HA 0.523 4.871 4.340 0.013 0.000 0.260 167 L C -2.362 174.485 176.870 -0.037 0.000 1.015 167 L CA -2.275 52.565 54.840 -0.001 0.000 0.821 167 L CB 3.009 45.058 42.059 -0.016 0.000 1.370 167 L HN -0.202 nan 8.230 nan 0.000 0.416 168 P HA 0.099 nan 4.420 nan 0.000 0.271 168 P C -0.991 176.273 177.300 -0.061 0.000 1.216 168 P CA -0.180 62.872 63.100 -0.079 0.000 0.771 168 P CB 1.153 32.767 31.700 -0.143 0.000 0.864 169 S N 2.029 117.755 115.700 0.044 0.000 2.449 169 S HA 0.328 4.806 4.470 0.013 0.000 0.310 169 S C -0.358 174.187 174.600 -0.091 0.000 1.096 169 S CA -0.575 57.600 58.200 -0.043 0.000 1.095 169 S CB 0.904 64.216 63.200 0.188 0.000 1.007 169 S HN 0.376 nan 8.310 nan 0.000 0.474 170 E N 1.886 121.811 120.200 -0.458 0.000 2.238 170 E HA 0.590 4.948 4.350 0.013 0.000 0.267 170 E C -1.462 174.688 176.600 -0.750 0.000 0.887 170 E CA -0.577 55.622 56.400 -0.335 0.000 0.769 170 E CB 1.737 31.363 29.700 -0.122 0.000 1.187 170 E HN 0.416 nan 8.360 nan 0.000 0.416 171 F N 0.436 120.434 119.950 0.080 0.000 2.588 171 F HA 0.209 4.744 4.527 0.014 0.000 0.310 171 F C -0.115 175.701 175.800 0.027 0.000 1.082 171 F CA -1.141 56.869 58.000 0.016 0.000 0.929 171 F CB 1.571 40.544 39.000 -0.044 0.000 1.254 171 F HN 0.275 nan 8.300 nan 0.000 0.455 172 D N 2.506 123.027 120.400 0.202 0.000 2.325 172 D HA 0.242 4.890 4.640 0.013 0.000 0.251 172 D C 0.305 176.744 176.300 0.233 0.000 1.196 172 D CA 0.294 54.398 54.000 0.172 0.000 0.866 172 D CB 0.995 41.880 40.800 0.141 0.000 1.101 172 D HN 0.569 nan 8.370 nan 0.000 0.476 173 L N 2.728 124.091 121.223 0.232 0.000 2.640 173 L HA 0.020 4.368 4.340 0.013 0.000 0.230 173 L C 2.111 179.226 176.870 0.408 0.000 1.123 173 L CA -0.150 54.885 54.840 0.326 0.000 0.900 173 L CB 0.015 42.226 42.059 0.254 0.000 1.146 173 L HN 0.305 nan 8.230 nan 0.000 0.484 174 S N 1.491 117.360 115.700 0.282 0.000 2.390 174 S HA -0.323 4.156 4.470 0.013 0.000 0.234 174 S C 2.018 176.723 174.600 0.176 0.000 1.063 174 S CA 2.004 60.326 58.200 0.204 0.000 1.108 174 S CB -0.243 63.035 63.200 0.130 0.000 0.975 174 S HN 0.573 nan 8.310 nan 0.000 0.442 175 A N -0.604 122.300 122.820 0.140 0.000 2.238 175 A HA 0.298 4.626 4.320 0.013 0.000 0.208 175 A C 1.367 178.828 177.584 -0.205 0.000 1.177 175 A CA 0.430 52.422 52.037 -0.074 0.000 0.804 175 A CB -0.457 18.408 19.000 -0.224 0.000 0.823 175 A HN 0.487 nan 8.150 nan 0.000 0.482 176 F N -0.550 119.452 119.950 0.086 0.000 2.717 176 F HA 0.335 4.870 4.527 0.013 0.000 0.295 176 F C 0.731 176.585 175.800 0.091 0.000 1.117 176 F CA -0.288 57.765 58.000 0.088 0.000 1.361 176 F CB -0.021 39.041 39.000 0.103 0.000 1.112 176 F HN -0.041 nan 8.300 nan 0.000 0.594 177 L N 2.342 123.733 121.223 0.280 0.000 2.461 177 L HA 0.281 4.629 4.340 0.013 0.000 0.272 177 L C 0.422 177.350 176.870 0.097 0.000 1.197 177 L CA -0.039 54.919 54.840 0.196 0.000 0.836 177 L CB 0.511 42.699 42.059 0.215 0.000 1.105 177 L HN 0.168 nan 8.230 nan 0.000 0.477 178 R N 1.956 122.474 120.500 0.031 0.000 2.836 178 R HA 0.806 5.154 4.340 0.013 0.000 0.269 178 R C -1.095 175.184 176.300 -0.035 0.000 1.010 178 R CA -0.959 55.141 56.100 0.001 0.000 0.930 178 R CB 1.441 31.737 30.300 -0.006 0.000 1.218 178 R HN 0.520 nan 8.270 nan 0.000 0.473 179 A N 0.808 123.611 122.820 -0.029 0.000 2.445 179 A HA 0.526 4.854 4.320 0.013 0.000 0.242 179 A C 1.007 178.548 177.584 -0.071 0.000 1.075 179 A CA 0.930 52.941 52.037 -0.043 0.000 0.777 179 A CB -0.573 18.410 19.000 -0.028 0.000 1.013 179 A HN 1.375 nan 8.150 nan 0.000 0.493 180 G N 1.035 109.782 108.800 -0.088 0.000 2.512 180 G HA2 -0.164 3.804 3.960 0.013 0.000 0.240 180 G HA3 -0.164 3.804 3.960 0.013 0.000 0.240 180 G C -0.152 174.648 174.900 -0.167 0.000 1.246 180 G CA 0.158 45.194 45.100 -0.106 0.000 0.919 180 G HN 0.994 nan 8.290 nan 0.000 0.577 181 E N 1.346 121.448 120.200 -0.163 0.000 2.338 181 E HA 0.339 4.697 4.350 0.013 0.000 0.272 181 E C 0.042 176.475 176.600 -0.279 0.000 1.029 181 E CA -0.187 56.081 56.400 -0.221 0.000 0.872 181 E CB 0.461 30.073 29.700 -0.147 0.000 1.015 181 E HN 0.416 nan 8.360 nan 0.000 0.417 182 N N 2.098 120.505 118.700 -0.488 0.000 2.312 182 N HA 0.403 5.151 4.740 0.013 0.000 0.296 182 N C -0.932 174.367 175.510 -0.352 0.000 1.193 182 N CA -0.681 52.072 53.050 -0.495 0.000 0.773 182 N CB 2.238 40.135 38.487 -0.983 0.000 1.435 182 N HN 0.266 nan 8.380 nan 0.000 0.484 183 R N 1.484 121.934 120.500 -0.084 0.000 2.502 183 R HA 0.463 4.811 4.340 0.013 0.000 0.300 183 R C -1.241 175.151 176.300 0.154 0.000 0.984 183 R CA -0.449 55.675 56.100 0.040 0.000 0.882 183 R CB 0.874 31.151 30.300 -0.039 0.000 1.180 183 R HN 0.470 nan 8.270 nan 0.000 0.444 184 L N 3.069 124.416 121.223 0.207 0.000 2.343 184 L HA 0.749 5.097 4.340 0.013 0.000 0.275 184 L C -0.197 176.754 176.870 0.136 0.000 1.056 184 L CA -0.902 54.062 54.840 0.208 0.000 0.804 184 L CB 1.912 44.103 42.059 0.221 0.000 1.203 184 L HN 0.746 nan 8.230 nan 0.000 0.440 185 A N 3.144 126.054 122.820 0.150 0.000 2.353 185 A HA 0.732 5.060 4.320 0.013 0.000 0.299 185 A C -1.044 176.829 177.584 0.482 0.000 1.089 185 A CA -0.436 51.581 52.037 -0.034 0.000 0.736 185 A CB 1.456 19.902 19.000 -0.923 0.000 1.195 185 A HN 0.376 nan 8.150 nan 0.000 0.447 186 V N 3.702 124.063 119.914 0.744 0.000 2.443 186 V HA 0.440 4.568 4.120 0.013 0.000 0.293 186 V C -0.107 176.519 176.094 0.887 0.000 1.021 186 V CA -0.284 62.448 62.300 0.720 0.000 0.848 186 V CB 1.583 33.663 31.823 0.428 0.000 0.998 186 V HN 0.963 nan 8.190 nan 0.000 0.424 187 M N 6.206 126.359 119.600 0.922 0.000 2.055 187 M HA 0.543 5.031 4.480 0.013 0.000 0.347 187 M C -1.417 175.156 176.300 0.455 0.000 1.123 187 M CA -0.353 55.332 55.300 0.642 0.000 1.035 187 M CB 1.001 34.030 32.600 0.716 0.000 1.484 187 M HN 0.473 nan 8.290 nan 0.000 0.428 188 V N 6.707 126.848 119.914 0.378 0.000 2.394 188 V HA 0.386 4.514 4.120 0.013 0.000 0.282 188 V C -0.168 176.102 176.094 0.293 0.000 1.031 188 V CA -0.706 61.806 62.300 0.354 0.000 0.881 188 V CB 1.434 33.544 31.823 0.478 0.000 0.982 188 V HN 0.786 nan 8.190 nan 0.000 0.451 189 L N 4.868 126.189 121.223 0.162 0.000 2.276 189 L HA 0.510 4.858 4.340 0.013 0.000 0.286 189 L C 1.574 178.462 176.870 0.029 0.000 1.061 189 L CA -0.234 54.624 54.840 0.031 0.000 0.807 189 L CB 0.895 42.867 42.059 -0.144 0.000 1.177 189 L HN 0.623 nan 8.230 nan 0.000 0.429 190 R N 2.803 123.277 120.500 -0.043 0.000 2.075 190 R HA -0.046 4.302 4.340 0.013 0.000 0.232 190 R C -0.349 175.653 176.300 -0.497 0.000 1.126 190 R CA 1.240 57.082 56.100 -0.429 0.000 0.963 190 R CB 0.222 30.140 30.300 -0.637 0.000 0.858 190 R HN 0.578 nan 8.270 nan 0.000 0.435 191 W N -0.026 121.334 121.300 0.100 0.000 2.689 191 W HA 0.413 5.081 4.660 0.013 0.000 0.340 191 W C -0.344 176.282 176.519 0.179 0.000 1.060 191 W CA -0.780 56.632 57.345 0.111 0.000 1.218 191 W CB 1.839 31.370 29.460 0.118 0.000 1.410 191 W HN 0.019 nan 8.180 nan 0.000 0.528 192 S N -1.163 114.818 115.700 0.468 0.000 2.672 192 S HA 0.154 4.632 4.470 0.013 0.000 0.271 192 S C 0.356 175.218 174.600 0.438 0.000 1.171 192 S CA -0.529 57.962 58.200 0.485 0.000 0.817 192 S CB 1.230 64.690 63.200 0.434 0.000 1.150 192 S HN 0.679 nan 8.310 nan 0.000 0.478 193 D N 0.308 120.971 120.400 0.438 0.000 2.263 193 D HA -0.045 4.604 4.640 0.013 0.000 0.208 193 D C 1.736 178.360 176.300 0.539 0.000 0.971 193 D CA 1.295 55.606 54.000 0.517 0.000 0.867 193 D CB -0.891 40.082 40.800 0.287 0.000 0.929 193 D HN 0.720 nan 8.370 nan 0.000 0.492 194 G N 0.946 109.977 108.800 0.385 0.000 2.432 194 G HA2 -0.258 3.710 3.960 0.013 0.000 0.219 194 G HA3 -0.258 3.710 3.960 0.013 0.000 0.219 194 G C 1.799 176.892 174.900 0.321 0.000 1.135 194 G CA 0.799 46.095 45.100 0.328 0.000 0.767 194 G HN 0.299 nan 8.290 nan 0.000 0.550 195 S N -0.009 115.865 115.700 0.291 0.000 2.419 195 S HA -0.116 4.362 4.470 0.013 0.000 0.235 195 S C 1.914 176.616 174.600 0.171 0.000 1.019 195 S CA 0.827 59.165 58.200 0.231 0.000 0.982 195 S CB -0.416 62.933 63.200 0.248 0.000 0.789 195 S HN 0.552 nan 8.310 nan 0.000 0.490 196 Y N 1.142 121.573 120.300 0.219 0.000 2.403 196 Y HA 0.045 4.603 4.550 0.013 0.000 0.291 196 Y C 1.577 177.585 175.900 0.180 0.000 1.143 196 Y CA 0.672 58.820 58.100 0.080 0.000 1.257 196 Y CB -0.223 38.129 38.460 -0.180 0.000 0.984 196 Y HN 0.202 nan 8.280 nan 0.000 0.550 197 L N -0.329 121.091 121.223 0.327 0.000 2.700 197 L HA 0.143 4.491 4.340 0.013 0.000 0.234 197 L C 0.042 177.053 176.870 0.236 0.000 1.156 197 L CA 0.351 55.342 54.840 0.251 0.000 0.946 197 L CB 0.107 42.320 42.059 0.257 0.000 1.216 197 L HN 0.129 nan 8.230 nan 0.000 0.493 198 E N -0.192 120.157 120.200 0.249 0.000 3.646 198 E HA 0.037 4.396 4.350 0.013 0.000 0.211 198 E C -0.449 176.256 176.600 0.176 0.000 1.034 198 E CA -0.061 56.469 56.400 0.215 0.000 1.341 198 E CB 0.503 30.321 29.700 0.196 0.000 1.202 198 E HN 0.044 nan 8.360 nan 0.000 0.447 199 D N 1.101 121.567 120.400 0.110 0.000 2.538 199 D HA 0.025 4.673 4.640 0.013 0.000 0.234 199 D C -0.219 176.072 176.300 -0.017 0.000 1.191 199 D CA -0.072 53.877 54.000 -0.085 0.000 0.828 199 D CB 0.166 40.668 40.800 -0.497 0.000 0.981 199 D HN 0.045 nan 8.370 nan 0.000 0.490 200 Q N 0.445 120.330 119.800 0.142 0.000 2.392 200 Q HA 0.132 4.480 4.340 0.013 0.000 0.262 200 Q C -0.162 175.959 176.000 0.202 0.000 1.003 200 Q CA 0.021 55.981 55.803 0.261 0.000 0.888 200 Q CB 0.637 29.691 28.738 0.526 0.000 1.260 200 Q HN 0.063 nan 8.270 nan 0.000 0.435 201 D N 3.125 123.668 120.400 0.237 0.000 2.398 201 D HA 0.197 4.845 4.640 0.013 0.000 0.250 201 D C -0.786 175.660 176.300 0.244 0.000 1.287 201 D CA 0.142 54.255 54.000 0.188 0.000 0.992 201 D CB -0.396 40.503 40.800 0.164 0.000 1.071 201 D HN 0.507 nan 8.370 nan 0.000 0.514 202 M N 0.681 120.389 119.600 0.180 0.000 3.069 202 M HA 0.346 4.834 4.480 0.013 0.000 0.274 202 M C -1.390 174.995 176.300 0.141 0.000 1.146 202 M CA -1.139 54.197 55.300 0.059 0.000 0.807 202 M CB 0.946 33.503 32.600 -0.071 0.000 1.621 202 M HN -0.067 nan 8.290 nan 0.000 0.521 203 W N 2.001 123.389 121.300 0.145 0.000 2.231 203 W HA 0.288 4.957 4.660 0.014 0.000 0.341 203 W C 0.316 176.851 176.519 0.027 0.000 1.298 203 W CA 0.042 57.461 57.345 0.124 0.000 1.266 203 W CB 0.327 29.798 29.460 0.019 0.000 1.172 203 W HN 0.303 nan 8.180 nan 0.000 0.568 204 R N 4.778 125.455 120.500 0.294 0.000 2.204 204 R HA 0.432 4.780 4.340 0.013 0.000 0.341 204 R C -0.141 176.158 176.300 -0.001 0.000 1.035 204 R CA -0.240 55.944 56.100 0.139 0.000 0.887 204 R CB 0.253 30.704 30.300 0.251 0.000 1.114 204 R HN 0.560 nan 8.270 nan 0.000 0.473 205 M N 0.231 119.719 119.600 -0.187 0.000 2.777 205 M HA 0.531 5.019 4.480 0.013 0.000 0.288 205 M C -0.108 175.841 176.300 -0.584 0.000 1.181 205 M CA -0.853 54.221 55.300 -0.376 0.000 0.758 205 M CB 2.333 34.707 32.600 -0.378 0.000 1.757 205 M HN 0.624 nan 8.290 nan 0.000 0.453 206 S N -1.219 114.000 115.700 -0.801 0.000 2.611 206 S HA 0.951 5.429 4.470 0.013 0.000 0.268 206 S C -0.602 173.462 174.600 -0.892 0.000 1.156 206 S CA -0.206 57.438 58.200 -0.926 0.000 0.817 206 S CB 1.780 64.231 63.200 -1.247 0.000 1.122 206 S HN 1.486 nan 8.310 nan 0.000 0.466 207 G N -0.054 108.448 108.800 -0.497 0.000 2.343 207 G HA2 0.174 4.142 3.960 0.013 0.000 0.562 207 G HA3 0.174 4.142 3.960 0.013 0.000 0.562 207 G C -1.490 173.389 174.900 -0.035 0.000 1.269 207 G CA -0.629 44.473 45.100 0.003 0.000 1.011 207 G HN 1.127 nan 8.290 nan 0.000 0.498 208 I N 2.037 122.447 120.570 -0.268 0.000 2.256 208 I HA 0.299 4.477 4.170 0.013 0.000 0.294 208 I C 1.059 177.027 176.117 -0.247 0.000 1.127 208 I CA -0.202 60.829 61.300 -0.448 0.000 1.247 208 I CB -0.104 37.334 38.000 -0.936 0.000 1.460 208 I HN 0.525 nan 8.210 nan 0.000 0.511 209 F N 4.658 124.450 119.950 -0.264 0.000 2.678 209 F HA 0.477 5.011 4.527 0.013 0.000 0.305 209 F C 0.656 176.376 175.800 -0.134 0.000 1.090 209 F CA -0.539 57.343 58.000 -0.197 0.000 1.272 209 F CB 0.176 39.063 39.000 -0.189 0.000 1.060 209 F HN 0.129 nan 8.300 nan 0.000 0.576 210 R N 0.416 120.463 120.500 -0.756 0.000 2.950 210 R HA 0.255 4.603 4.340 0.013 0.000 0.253 210 R C -0.783 175.306 176.300 -0.352 0.000 1.168 210 R CA -1.173 54.606 56.100 -0.534 0.000 1.014 210 R CB 0.648 30.550 30.300 -0.663 0.000 1.228 210 R HN -0.047 nan 8.270 nan 0.000 0.487 211 D N 0.656 120.896 120.400 -0.265 0.000 2.419 211 D HA 0.125 4.773 4.640 0.013 0.000 0.236 211 D C -0.530 175.632 176.300 -0.230 0.000 1.165 211 D CA 0.422 54.306 54.000 -0.193 0.000 0.882 211 D CB 0.755 41.474 40.800 -0.135 0.000 1.201 211 D HN -0.013 nan 8.370 nan 0.000 0.443 212 V N 0.907 120.699 119.914 -0.204 0.000 2.588 212 V HA 0.579 4.707 4.120 0.013 0.000 0.304 212 V C -0.005 175.976 176.094 -0.187 0.000 1.042 212 V CA -0.578 61.537 62.300 -0.308 0.000 0.877 212 V CB 1.767 33.406 31.823 -0.307 0.000 0.996 212 V HN 0.766 nan 8.190 nan 0.000 0.425 213 S N 4.490 120.052 115.700 -0.230 0.000 2.638 213 S HA 0.854 5.332 4.470 0.013 0.000 0.274 213 S C -1.339 173.196 174.600 -0.108 0.000 1.157 213 S CA -0.936 57.195 58.200 -0.116 0.000 0.826 213 S CB 1.876 65.038 63.200 -0.063 0.000 1.139 213 S HN 0.463 nan 8.310 nan 0.000 0.474 214 L N 1.249 122.469 121.223 -0.005 0.000 2.346 214 L HA 0.726 5.075 4.340 0.013 0.000 0.276 214 L C -1.428 175.513 176.870 0.118 0.000 1.006 214 L CA -0.907 53.978 54.840 0.075 0.000 0.817 214 L CB 1.768 43.967 42.059 0.233 0.000 1.272 214 L HN 0.686 nan 8.230 nan 0.000 0.421 215 L N 2.955 124.198 121.223 0.033 0.000 2.406 215 L HA 0.413 4.761 4.340 0.013 0.000 0.272 215 L C -0.827 175.924 176.870 -0.198 0.000 0.980 215 L CA -0.096 54.714 54.840 -0.050 0.000 0.831 215 L CB 1.437 43.489 42.059 -0.012 0.000 1.253 215 L HN 0.522 nan 8.230 nan 0.000 0.406 216 H N 5.670 124.407 119.070 -0.555 0.000 2.623 216 H HA 0.406 4.970 4.556 0.014 0.000 0.299 216 H C -1.074 173.983 175.328 -0.452 0.000 1.052 216 H CA -0.653 54.910 56.048 -0.808 0.000 1.231 216 H CB 0.812 29.414 29.762 -1.934 0.000 1.389 216 H HN 0.524 nan 8.280 nan 0.000 0.469 217 K N 5.245 125.272 120.400 -0.621 0.000 2.166 217 K HA 0.372 4.700 4.320 0.013 0.000 0.245 217 K C -2.588 173.694 176.600 -0.530 0.000 0.967 217 K CA -1.974 54.034 56.287 -0.466 0.000 0.863 217 K CB 1.774 34.094 32.500 -0.300 0.000 1.107 217 K HN 0.492 nan 8.250 nan 0.000 0.436 218 P HA 0.054 nan 4.420 nan 0.000 0.274 218 P C 0.750 177.935 177.300 -0.192 0.000 1.246 218 P CA -0.084 62.867 63.100 -0.250 0.000 0.795 218 P CB 0.317 31.931 31.700 -0.143 0.000 1.006 219 T N -3.324 111.150 114.554 -0.134 0.000 2.904 219 T HA -0.030 4.328 4.350 0.013 0.000 0.267 219 T C 0.660 175.305 174.700 -0.093 0.000 1.059 219 T CA 1.187 63.228 62.100 -0.098 0.000 1.137 219 T CB -1.005 67.826 68.868 -0.062 0.000 0.879 219 T HN 0.287 nan 8.240 nan 0.000 0.467 220 T N 3.317 117.819 114.554 -0.086 0.000 2.738 220 T HA 0.499 4.857 4.350 0.013 0.000 0.298 220 T C -0.400 174.241 174.700 -0.098 0.000 0.962 220 T CA -0.746 61.298 62.100 -0.094 0.000 0.972 220 T CB 0.800 69.625 68.868 -0.071 0.000 0.928 220 T HN 0.703 nan 8.240 nan 0.000 0.474 221 Q N 2.396 122.126 119.800 -0.117 0.000 2.565 221 Q HA 0.611 4.959 4.340 0.013 0.000 0.294 221 Q C -1.208 174.726 176.000 -0.110 0.000 1.005 221 Q CA -1.177 54.549 55.803 -0.127 0.000 0.771 221 Q CB 1.305 29.942 28.738 -0.167 0.000 1.486 221 Q HN 0.441 nan 8.270 nan 0.000 0.422 222 I N 2.550 123.034 120.570 -0.144 0.000 2.436 222 I HA 0.012 4.190 4.170 0.013 0.000 0.289 222 I C 0.708 176.738 176.117 -0.145 0.000 1.083 222 I CA 0.097 61.336 61.300 -0.102 0.000 1.372 222 I CB 1.022 38.922 38.000 -0.167 0.000 1.408 222 I HN 0.881 nan 8.210 nan 0.000 0.516 223 S N 2.708 118.431 115.700 0.038 0.000 2.511 223 S HA 0.209 4.688 4.470 0.013 0.000 0.214 223 S C 0.152 174.967 174.600 0.358 0.000 0.997 223 S CA -0.286 57.999 58.200 0.141 0.000 0.908 223 S CB 0.301 63.537 63.200 0.060 0.000 0.803 223 S HN 0.714 nan 8.310 nan 0.000 0.504 224 D N -0.239 120.371 120.400 0.350 0.000 2.728 224 D HA 0.493 5.141 4.640 0.013 0.000 0.249 224 D C -1.934 174.549 176.300 0.305 0.000 1.225 224 D CA -0.695 53.507 54.000 0.336 0.000 0.748 224 D CB 1.519 42.411 40.800 0.153 0.000 1.326 224 D HN 0.201 nan 8.370 nan 0.000 0.426 225 F N -0.436 119.588 119.950 0.122 0.000 2.650 225 F HA 0.620 5.155 4.527 0.013 0.000 0.310 225 F C -1.572 174.310 175.800 0.137 0.000 1.112 225 F CA -0.756 57.248 58.000 0.005 0.000 0.986 225 F CB 1.277 40.317 39.000 0.066 0.000 1.285 225 F HN 0.247 nan 8.300 nan 0.000 0.440 226 H N 2.134 121.285 119.070 0.135 0.000 2.589 226 H HA 0.727 5.291 4.556 0.014 0.000 0.351 226 H C -1.278 174.095 175.328 0.074 0.000 1.074 226 H CA -1.480 54.575 56.048 0.011 0.000 1.203 226 H CB 2.558 32.307 29.762 -0.022 0.000 1.558 226 H HN 0.611 nan 8.280 nan 0.000 0.522 227 V N 2.380 122.394 119.914 0.167 0.000 2.459 227 V HA 0.664 4.792 4.120 0.013 0.000 0.295 227 V C -0.150 175.941 176.094 -0.006 0.000 1.029 227 V CA -0.572 61.776 62.300 0.080 0.000 0.874 227 V CB 1.278 33.142 31.823 0.069 0.000 0.985 227 V HN 0.925 nan 8.190 nan 0.000 0.438 228 A N 3.280 126.075 122.820 -0.043 0.000 2.401 228 A HA 0.941 5.269 4.320 0.013 0.000 0.310 228 A C -0.145 177.344 177.584 -0.158 0.000 1.075 228 A CA -0.522 51.470 52.037 -0.076 0.000 0.746 228 A CB 1.971 20.948 19.000 -0.040 0.000 1.277 228 A HN 0.922 nan 8.150 nan 0.000 0.425 229 T N -0.051 114.394 114.554 -0.181 0.000 2.840 229 T HA 0.745 5.103 4.350 0.013 0.000 0.287 229 T C -0.486 174.005 174.700 -0.347 0.000 0.991 229 T CA -0.685 61.220 62.100 -0.326 0.000 0.964 229 T CB 1.042 69.631 68.868 -0.465 0.000 0.954 229 T HN 0.707 nan 8.240 nan 0.000 0.438 230 R N 1.839 122.042 120.500 -0.495 0.000 2.854 230 R HA 0.795 5.144 4.340 0.013 0.000 0.271 230 R C -1.228 174.633 176.300 -0.732 0.000 0.996 230 R CA -0.821 55.050 56.100 -0.382 0.000 0.961 230 R CB 1.702 31.906 30.300 -0.159 0.000 1.182 230 R HN 0.555 nan 8.270 nan 0.000 0.479 231 F N 0.201 120.116 119.950 -0.059 0.000 2.611 231 F HA 0.337 4.871 4.527 0.012 0.000 0.324 231 F C 0.545 176.199 175.800 -0.243 0.000 1.061 231 F CA -1.082 56.816 58.000 -0.169 0.000 0.954 231 F CB 1.043 39.789 39.000 -0.423 0.000 1.301 231 F HN 0.539 nan 8.300 nan 0.000 0.482 232 N N -0.027 118.650 118.700 -0.038 0.000 2.366 232 N HA 0.054 4.802 4.740 0.013 0.000 0.277 232 N C 0.496 175.878 175.510 -0.214 0.000 1.275 232 N CA -0.119 52.877 53.050 -0.090 0.000 0.964 232 N CB 0.011 38.473 38.487 -0.042 0.000 1.167 232 N HN 0.657 nan 8.380 nan 0.000 0.568 233 D N -1.347 118.980 120.400 -0.121 0.000 2.149 233 D HA -0.234 4.414 4.640 0.013 0.000 0.198 233 D C 0.249 176.498 176.300 -0.086 0.000 0.990 233 D CA 1.572 55.509 54.000 -0.105 0.000 0.839 233 D CB -0.575 40.213 40.800 -0.021 0.000 0.948 233 D HN 0.745 nan 8.370 nan 0.000 0.460 234 D N -1.553 118.837 120.400 -0.017 0.000 2.538 234 D HA 0.036 4.684 4.640 0.013 0.000 0.231 234 D C 0.018 176.490 176.300 0.286 0.000 1.229 234 D CA -1.040 53.061 54.000 0.168 0.000 0.828 234 D CB -1.044 39.837 40.800 0.135 0.000 1.035 234 D HN 0.147 nan 8.370 nan 0.000 0.495 235 F N 0.366 120.375 119.950 0.098 0.000 3.006 235 F HA -0.300 4.233 4.527 0.011 0.000 0.289 235 F C 1.734 177.621 175.800 0.145 0.000 0.772 235 F CA 0.883 58.957 58.000 0.124 0.000 1.162 235 F CB -2.488 36.477 39.000 -0.059 0.000 1.382 235 F HN 0.242 nan 8.300 nan 0.000 0.406 236 S N -1.308 114.502 115.700 0.183 0.000 2.528 236 S HA 0.253 4.731 4.470 0.013 0.000 0.219 236 S C 0.684 175.341 174.600 0.096 0.000 0.985 236 S CA 0.078 58.357 58.200 0.132 0.000 0.914 236 S CB 0.387 63.640 63.200 0.089 0.000 0.776 236 S HN 0.459 nan 8.310 nan 0.000 0.526 237 R N 0.153 120.713 120.500 0.100 0.000 2.673 237 R HA 0.794 5.142 4.340 0.013 0.000 0.281 237 R C -1.269 175.053 176.300 0.036 0.000 0.991 237 R CA -0.192 55.930 56.100 0.037 0.000 0.896 237 R CB 2.284 32.583 30.300 -0.002 0.000 1.201 237 R HN 0.283 nan 8.270 nan 0.000 0.457 238 A N 1.766 124.551 122.820 -0.059 0.000 2.515 238 A HA 0.750 5.078 4.320 0.013 0.000 0.296 238 A C -1.325 176.165 177.584 -0.156 0.000 1.094 238 A CA -0.644 51.267 52.037 -0.210 0.000 0.718 238 A CB 1.957 20.799 19.000 -0.264 0.000 1.307 238 A HN 0.361 nan 8.150 nan 0.000 0.408 239 V N 1.568 121.360 119.914 -0.204 0.000 2.487 239 V HA 0.441 4.569 4.120 0.013 0.000 0.298 239 V C -0.461 175.560 176.094 -0.120 0.000 1.028 239 V CA -0.391 61.836 62.300 -0.121 0.000 0.860 239 V CB 1.431 33.187 31.823 -0.110 0.000 0.991 239 V HN 0.798 nan 8.190 nan 0.000 0.427 240 L N 4.540 125.732 121.223 -0.051 0.000 2.264 240 L HA 0.625 4.973 4.340 0.013 0.000 0.289 240 L C -0.072 176.755 176.870 -0.072 0.000 1.044 240 L CA -0.027 54.763 54.840 -0.083 0.000 0.807 240 L CB 1.109 43.145 42.059 -0.038 0.000 1.192 240 L HN 0.779 nan 8.230 nan 0.000 0.425 241 E N 4.192 124.347 120.200 -0.076 0.000 2.176 241 E HA 0.673 5.031 4.350 0.013 0.000 0.267 241 E C -1.384 175.204 176.600 -0.020 0.000 0.893 241 E CA -0.724 55.648 56.400 -0.046 0.000 0.761 241 E CB 1.789 31.462 29.700 -0.045 0.000 1.133 241 E HN 0.716 nan 8.360 nan 0.000 0.409 242 A N 4.509 127.324 122.820 -0.009 0.000 2.332 242 A HA 0.309 4.638 4.320 0.013 0.000 0.300 242 A C -0.736 176.853 177.584 0.008 0.000 1.153 242 A CA -0.661 51.394 52.037 0.031 0.000 0.764 242 A CB 1.091 20.110 19.000 0.032 0.000 1.174 242 A HN 0.726 nan 8.150 nan 0.000 0.467 243 E N 2.366 122.570 120.200 0.006 0.000 2.227 243 E HA 0.538 4.897 4.350 0.013 0.000 0.282 243 E C -1.260 175.297 176.600 -0.073 0.000 1.015 243 E CA -0.312 56.050 56.400 -0.063 0.000 0.823 243 E CB 1.054 30.677 29.700 -0.128 0.000 1.081 243 E HN 0.385 nan 8.360 nan 0.000 0.396 244 V N 4.771 124.660 119.914 -0.043 0.000 2.588 244 V HA 0.270 4.398 4.120 0.013 0.000 0.304 244 V C -0.534 175.614 176.094 0.090 0.000 1.042 244 V CA -0.856 61.465 62.300 0.035 0.000 0.877 244 V CB 1.770 33.600 31.823 0.013 0.000 0.996 244 V HN 0.737 nan 8.190 nan 0.000 0.425 245 Q N 4.148 124.008 119.800 0.100 0.000 2.309 245 Q HA 0.818 5.166 4.340 0.013 0.000 0.264 245 Q C -0.655 175.419 176.000 0.124 0.000 1.008 245 Q CA -0.817 55.047 55.803 0.101 0.000 0.853 245 Q CB 2.643 31.379 28.738 -0.004 0.000 1.314 245 Q HN 0.829 nan 8.270 nan 0.000 0.448 249 E N 0.167 120.296 120.200 -0.118 0.000 2.229 249 E HA 0.403 4.761 4.350 0.013 0.000 0.283 249 E C -0.118 176.373 176.600 -0.181 0.000 1.030 249 E CA -0.311 56.014 56.400 -0.124 0.000 0.836 249 E CB 0.820 30.470 29.700 -0.083 0.000 1.068 249 E HN 0.302 nan 8.360 nan 0.000 0.401 250 L N 4.702 125.806 121.223 -0.199 0.000 2.397 250 L HA 0.286 4.634 4.340 0.013 0.000 0.271 250 L C 0.542 177.267 176.870 -0.242 0.000 1.148 250 L CA 0.166 54.857 54.840 -0.248 0.000 0.825 250 L CB 0.460 42.396 42.059 -0.206 0.000 1.117 250 L HN 0.381 nan 8.230 nan 0.000 0.456 251 R N 1.451 121.751 120.500 -0.333 0.000 2.651 251 R HA 0.174 4.522 4.340 0.013 0.000 0.278 251 R C -0.431 175.605 176.300 -0.441 0.000 1.010 251 R CA -0.816 54.998 56.100 -0.477 0.000 0.896 251 R CB 1.831 31.548 30.300 -0.970 0.000 1.211 251 R HN 0.539 nan 8.270 nan 0.000 0.456 252 D N 1.017 121.247 120.400 -0.283 0.000 2.263 252 D HA -0.147 4.501 4.640 0.013 0.000 0.208 252 D C 1.501 177.756 176.300 -0.075 0.000 0.971 252 D CA 1.538 55.464 54.000 -0.124 0.000 0.867 252 D CB 0.041 40.820 40.800 -0.034 0.000 0.929 252 D HN 0.570 nan 8.370 nan 0.000 0.492 253 Y N -0.303 120.007 120.300 0.017 0.000 2.546 253 Y HA 0.250 4.808 4.550 0.014 0.000 0.287 253 Y C 0.740 176.642 175.900 0.003 0.000 1.158 253 Y CA -0.426 57.681 58.100 0.012 0.000 1.307 253 Y CB -0.918 37.550 38.460 0.014 0.000 1.036 253 Y HN -0.184 nan 8.280 nan 0.000 0.532 254 L N 2.331 123.509 121.223 -0.074 0.000 2.452 254 L HA 0.338 4.686 4.340 0.013 0.000 0.267 254 L C 0.275 177.140 176.870 -0.008 0.000 1.188 254 L CA -0.239 54.634 54.840 0.055 0.000 0.821 254 L CB 0.503 42.617 42.059 0.091 0.000 1.102 254 L HN 0.148 nan 8.230 nan 0.000 0.470 255 R N 1.299 121.675 120.500 -0.207 0.000 2.799 255 R HA 0.701 5.049 4.340 0.013 0.000 0.270 255 R C -1.536 174.426 176.300 -0.562 0.000 1.010 255 R CA -0.819 55.018 56.100 -0.438 0.000 0.916 255 R CB 2.102 32.033 30.300 -0.614 0.000 1.228 255 R HN 0.271 nan 8.270 nan 0.000 0.469 256 V N 0.737 120.363 119.914 -0.479 0.000 2.656 256 V HA 0.502 4.630 4.120 0.013 0.000 0.307 256 V C -0.331 175.715 176.094 -0.079 0.000 1.051 256 V CA -0.578 61.543 62.300 -0.298 0.000 0.893 256 V CB 2.297 33.875 31.823 -0.409 0.000 0.999 256 V HN 0.713 nan 8.190 nan 0.000 0.426 257 T N 3.800 118.423 114.554 0.116 0.000 2.807 257 T HA 0.611 4.969 4.350 0.013 0.000 0.279 257 T C -0.658 174.052 174.700 0.016 0.000 0.993 257 T CA -0.345 61.816 62.100 0.102 0.000 0.970 257 T CB 1.693 70.649 68.868 0.147 0.000 0.950 257 T HN 0.346 nan 8.240 nan 0.000 0.441 258 V N 3.298 123.200 119.914 -0.019 0.000 2.417 258 V HA 0.585 4.713 4.120 0.013 0.000 0.291 258 V C -0.152 175.934 176.094 -0.013 0.000 1.024 258 V CA -0.549 61.735 62.300 -0.027 0.000 0.861 258 V CB 1.874 33.671 31.823 -0.044 0.000 0.985 258 V HN 0.950 nan 8.190 nan 0.000 0.436 259 S N 4.773 120.490 115.700 0.028 0.000 2.513 259 S HA 0.753 5.231 4.470 0.013 0.000 0.299 259 S C -0.915 173.708 174.600 0.037 0.000 1.087 259 S CA -0.489 57.702 58.200 -0.014 0.000 1.012 259 S CB 1.871 65.105 63.200 0.056 0.000 1.044 259 S HN 0.547 nan 8.310 nan 0.000 0.485 260 L N 2.789 123.941 121.223 -0.119 0.000 2.313 260 L HA 0.724 5.072 4.340 0.013 0.000 0.283 260 L C -1.988 174.819 176.870 -0.106 0.000 1.013 260 L CA -0.151 54.704 54.840 0.025 0.000 0.816 260 L CB 0.676 42.751 42.059 0.027 0.000 1.236 260 L HN 0.726 nan 8.230 nan 0.000 0.419 261 W N 3.541 124.947 121.300 0.176 0.000 2.736 261 W HA 0.577 5.245 4.660 0.013 0.000 0.335 261 W C -0.551 176.100 176.519 0.219 0.000 1.059 261 W CA -0.451 56.984 57.345 0.151 0.000 1.226 261 W CB 1.445 30.941 29.460 0.059 0.000 1.416 261 W HN 0.402 nan 8.180 nan 0.000 0.505 262 Q N 2.562 122.564 119.800 0.337 0.000 2.413 262 Q HA 0.478 4.826 4.340 0.013 0.000 0.258 262 Q C 0.770 176.830 176.000 0.100 0.000 1.037 262 Q CA 0.481 56.336 55.803 0.087 0.000 0.764 262 Q CB 0.638 29.392 28.738 0.028 0.000 1.217 262 Q HN 0.782 nan 8.270 nan 0.000 0.490 263 G N 3.304 112.146 108.800 0.069 0.000 2.596 263 G HA2 -0.379 3.589 3.960 0.013 0.000 0.295 263 G HA3 -0.379 3.589 3.960 0.013 0.000 0.295 263 G C 0.283 175.273 174.900 0.150 0.000 1.240 263 G CA 0.456 45.593 45.100 0.062 0.000 0.985 263 G HN 0.742 nan 8.290 nan 0.000 0.555 264 E N 0.787 121.064 120.200 0.127 0.000 2.494 264 E HA 0.211 4.569 4.350 0.013 0.000 0.193 264 E C 0.343 177.171 176.600 0.380 0.000 1.074 264 E CA 0.573 57.083 56.400 0.183 0.000 0.867 264 E CB 0.126 29.873 29.700 0.079 0.000 0.924 264 E HN 0.330 nan 8.360 nan 0.000 0.502 265 T N 1.188 115.940 114.554 0.330 0.000 2.767 265 T HA 0.113 4.471 4.350 0.013 0.000 0.284 265 T C -0.291 174.435 174.700 0.044 0.000 0.973 265 T CA -0.495 61.725 62.100 0.200 0.000 0.996 265 T CB 1.489 70.406 68.868 0.082 0.000 0.927 265 T HN 0.037 nan 8.240 nan 0.000 0.456 266 Q N 3.229 122.786 119.800 -0.404 0.000 2.296 266 Q HA 0.240 4.588 4.340 0.013 0.000 0.263 266 Q C 0.298 176.037 176.000 -0.435 0.000 1.026 266 Q CA -0.263 54.953 55.803 -0.978 0.000 0.912 266 Q CB 0.575 28.487 28.738 -1.376 0.000 1.198 266 Q HN 0.538 nan 8.270 nan 0.000 0.407 267 V N 3.030 122.764 119.914 -0.300 0.000 2.992 267 V HA 0.269 4.397 4.120 0.013 0.000 0.250 267 V C 0.269 176.262 176.094 -0.168 0.000 1.090 267 V CA 1.183 63.396 62.300 -0.145 0.000 1.101 267 V CB 0.460 32.280 31.823 -0.005 0.000 0.743 267 V HN 0.799 nan 8.190 nan 0.000 0.468 268 A N -1.338 121.354 122.820 -0.213 0.000 2.612 268 A HA 0.793 5.121 4.320 0.013 0.000 0.293 268 A C -0.784 176.692 177.584 -0.181 0.000 1.075 268 A CA -0.113 51.826 52.037 -0.163 0.000 0.680 268 A CB 2.017 20.950 19.000 -0.112 0.000 1.279 268 A HN 0.027 nan 8.150 nan 0.000 0.411 269 S N -1.055 114.565 115.700 -0.133 0.000 2.547 269 S HA 0.807 5.285 4.470 0.013 0.000 0.270 269 S C -0.614 173.943 174.600 -0.073 0.000 1.150 269 S CA 0.178 58.313 58.200 -0.109 0.000 0.850 269 S CB 1.763 64.889 63.200 -0.123 0.000 1.118 269 S HN 2.258 nan 8.310 nan 0.000 0.461 270 G N 1.423 110.191 108.800 -0.054 0.000 2.719 270 G HA2 0.630 4.598 3.960 0.013 0.000 0.298 270 G HA3 0.630 4.598 3.960 0.013 0.000 0.298 270 G C -1.414 173.468 174.900 -0.031 0.000 1.411 270 G CA -0.368 44.705 45.100 -0.045 0.000 0.991 270 G HN 0.673 nan 8.290 nan 0.000 0.509 271 T N 0.061 114.601 114.554 -0.024 0.000 2.886 271 T HA 0.838 5.196 4.350 0.013 0.000 0.292 271 T C -0.285 174.385 174.700 -0.051 0.000 1.012 271 T CA -0.048 62.047 62.100 -0.007 0.000 0.982 271 T CB 1.778 70.678 68.868 0.053 0.000 1.018 271 T HN 1.428 nan 8.240 nan 0.000 0.451 272 A N 3.732 126.487 122.820 -0.108 0.000 2.606 272 A HA 0.931 5.259 4.320 0.013 0.000 0.293 272 A C -3.063 174.399 177.584 -0.204 0.000 1.082 272 A CA -1.642 50.317 52.037 -0.130 0.000 0.685 272 A CB 1.277 20.199 19.000 -0.131 0.000 1.284 272 A HN 0.532 nan 8.150 nan 0.000 0.408 273 P HA 0.511 nan 4.420 nan 0.000 0.276 273 P C -0.572 176.611 177.300 -0.195 0.000 1.261 273 P CA -0.277 62.738 63.100 -0.142 0.000 0.800 273 P CB 0.304 31.980 31.700 -0.040 0.000 1.066 274 F N -0.221 119.689 119.950 -0.067 0.000 2.450 274 F HA 0.463 4.998 4.527 0.013 0.000 0.339 274 F C 1.457 177.238 175.800 -0.031 0.000 1.146 274 F CA 1.559 59.529 58.000 -0.050 0.000 1.267 274 F CB 0.173 39.138 39.000 -0.059 0.000 1.178 274 F HN 0.568 nan 8.300 nan 0.000 0.585 275 G N 1.574 110.490 108.800 0.194 0.000 2.951 275 G HA2 0.349 4.317 3.960 0.013 0.000 0.508 275 G HA3 0.349 4.317 3.960 0.013 0.000 0.508 275 G C -0.488 174.460 174.900 0.081 0.000 1.203 275 G CA -0.745 44.426 45.100 0.119 0.000 1.209 275 G HN 1.041 nan 8.290 nan 0.000 0.552 276 G N 0.913 109.780 108.800 0.112 0.000 2.557 276 G HA2 0.687 4.655 3.960 0.013 0.000 0.292 276 G HA3 0.687 4.655 3.960 0.013 0.000 0.292 276 G C 0.399 175.340 174.900 0.069 0.000 1.237 276 G CA -0.282 44.874 45.100 0.092 0.000 0.978 276 G HN 0.861 nan 8.290 nan 0.000 0.498 277 E N -0.396 119.838 120.200 0.056 0.000 2.408 277 E HA 0.060 4.418 4.350 0.013 0.000 0.259 277 E C 0.086 176.709 176.600 0.039 0.000 1.110 277 E CA -0.273 56.150 56.400 0.037 0.000 0.929 277 E CB 1.054 30.772 29.700 0.030 0.000 0.971 277 E HN 0.297 nan 8.360 nan 0.000 0.438 278 I N 1.616 122.196 120.570 0.018 0.000 2.648 278 I HA -0.096 4.082 4.170 0.013 0.000 0.284 278 I C 1.489 177.612 176.117 0.011 0.000 1.153 278 I CA 0.368 61.670 61.300 0.004 0.000 1.426 278 I CB 0.248 38.245 38.000 -0.004 0.000 1.381 278 I HN 0.556 nan 8.210 nan 0.000 0.571 279 I N 0.998 121.568 120.570 -0.000 0.000 4.312 279 I HA 0.331 4.509 4.170 0.013 0.000 0.324 279 I C -0.204 175.912 176.117 -0.003 0.000 1.298 279 I CA -0.073 61.236 61.300 0.015 0.000 1.231 279 I CB 0.441 38.475 38.000 0.058 0.000 1.152 279 I HN 0.601 nan 8.210 nan 0.000 0.421 280 D N -0.276 120.108 120.400 -0.025 0.000 2.946 280 D HA 0.173 4.821 4.640 0.013 0.000 0.337 280 D C 0.211 176.493 176.300 -0.030 0.000 1.332 280 D CA -0.505 53.481 54.000 -0.023 0.000 0.935 280 D CB 0.532 41.318 40.800 -0.024 0.000 1.440 280 D HN -0.141 nan 8.370 nan 0.000 0.540 281 E N -1.043 119.141 120.200 -0.026 0.000 2.333 281 E HA -0.017 4.341 4.350 0.013 0.000 0.198 281 E C 1.176 177.755 176.600 -0.034 0.000 1.007 281 E CA 0.870 57.255 56.400 -0.025 0.000 0.845 281 E CB -0.031 29.658 29.700 -0.019 0.000 0.766 281 E HN 0.207 nan 8.360 nan 0.000 0.507 282 R N -0.234 120.237 120.500 -0.049 0.000 2.359 282 R HA 0.302 4.650 4.340 0.013 0.000 0.231 282 R C 0.793 177.049 176.300 -0.073 0.000 0.913 282 R CA 0.641 56.706 56.100 -0.059 0.000 1.075 282 R CB 0.507 30.766 30.300 -0.070 0.000 1.087 282 R HN 0.212 nan 8.270 nan 0.000 0.515 283 G N -0.448 108.311 108.800 -0.068 0.000 2.501 283 G HA2 -0.164 3.804 3.960 0.013 0.000 0.213 283 G HA3 -0.164 3.804 3.960 0.013 0.000 0.213 283 G C -0.092 174.753 174.900 -0.091 0.000 1.158 283 G CA -0.577 44.484 45.100 -0.066 0.000 1.079 283 G HN 0.506 nan 8.290 nan 0.000 0.586 284 G N -2.028 106.713 108.800 -0.098 0.000 3.086 284 G HA2 0.629 4.597 3.960 0.013 0.000 0.282 284 G HA3 0.629 4.597 3.960 0.013 0.000 0.282 284 G C -1.552 173.237 174.900 -0.185 0.000 1.343 284 G CA -0.653 44.385 45.100 -0.102 0.000 0.895 284 G HN 0.784 nan 8.290 nan 0.000 0.557 285 Y N 1.181 121.491 120.300 0.017 0.000 2.504 285 Y HA 0.414 4.972 4.550 0.013 0.000 0.351 285 Y C 1.479 177.399 175.900 0.033 0.000 0.988 285 Y CA 0.181 58.294 58.100 0.021 0.000 1.239 285 Y CB 1.617 40.096 38.460 0.031 0.000 1.128 285 Y HN 0.535 nan 8.280 nan 0.000 0.525 286 A N 1.759 124.642 122.820 0.105 0.000 2.168 286 A HA -0.137 4.191 4.320 0.013 0.000 0.215 286 A C 1.380 179.026 177.584 0.104 0.000 1.152 286 A CA 1.325 53.414 52.037 0.086 0.000 0.716 286 A CB -0.282 18.727 19.000 0.015 0.000 0.794 286 A HN 0.789 nan 8.150 nan 0.000 0.465 287 D N -0.861 119.603 120.400 0.106 0.000 2.342 287 D HA 0.125 4.773 4.640 0.013 0.000 0.221 287 D C 0.512 176.906 176.300 0.157 0.000 1.101 287 D CA -0.023 53.962 54.000 -0.026 0.000 0.837 287 D CB 0.005 40.769 40.800 -0.059 0.000 0.938 287 D HN 0.406 nan 8.370 nan 0.000 0.508 288 R N -0.791 119.916 120.500 0.345 0.000 2.836 288 R HA 0.756 5.104 4.340 0.013 0.000 0.269 288 R C -1.573 174.871 176.300 0.240 0.000 1.010 288 R CA -1.156 55.124 56.100 0.300 0.000 0.930 288 R CB 3.033 33.380 30.300 0.079 0.000 1.218 288 R HN -0.025 nan 8.270 nan 0.000 0.473 289 V N 0.113 120.057 119.914 0.050 0.000 3.077 289 V HA 0.494 4.623 4.120 0.013 0.000 0.299 289 V C -1.566 174.477 176.094 -0.084 0.000 1.276 289 V CA -0.288 61.965 62.300 -0.078 0.000 0.993 289 V CB 2.778 34.423 31.823 -0.296 0.000 1.076 289 V HN 0.803 nan 8.190 nan 0.000 0.434 290 T N 7.138 121.652 114.554 -0.067 0.000 2.786 290 T HA 0.597 4.955 4.350 0.013 0.000 0.283 290 T C -0.930 173.732 174.700 -0.063 0.000 0.992 290 T CA -0.374 61.693 62.100 -0.054 0.000 0.954 290 T CB 0.989 69.839 68.868 -0.031 0.000 0.934 290 T HN 0.467 nan 8.240 nan 0.000 0.440 291 L N 3.665 124.850 121.223 -0.063 0.000 2.322 291 L HA 0.587 4.935 4.340 0.013 0.000 0.279 291 L C 0.445 177.285 176.870 -0.049 0.000 1.036 291 L CA -0.470 54.332 54.840 -0.063 0.000 0.807 291 L CB 1.446 43.465 42.059 -0.066 0.000 1.226 291 L HN 0.536 nan 8.230 nan 0.000 0.433 292 R N 3.300 123.771 120.500 -0.048 0.000 2.439 292 R HA 0.621 4.969 4.340 0.013 0.000 0.310 292 R C -1.405 174.866 176.300 -0.048 0.000 0.955 292 R CA -0.946 55.126 56.100 -0.047 0.000 0.853 292 R CB 2.004 32.277 30.300 -0.045 0.000 1.171 292 R HN 0.234 nan 8.270 nan 0.000 0.449 293 L N 2.848 124.043 121.223 -0.047 0.000 2.333 293 L HA 0.367 4.715 4.340 0.013 0.000 0.280 293 L C -0.267 176.573 176.870 -0.049 0.000 1.004 293 L CA -0.594 54.217 54.840 -0.048 0.000 0.820 293 L CB 1.672 43.707 42.059 -0.041 0.000 1.247 293 L HN 0.491 nan 8.230 nan 0.000 0.416 294 N N 1.560 120.225 118.700 -0.058 0.000 2.499 294 N HA 0.580 5.328 4.740 0.013 0.000 0.281 294 N C -1.109 174.352 175.510 -0.081 0.000 1.098 294 N CA -0.356 52.655 53.050 -0.065 0.000 0.979 294 N CB 1.548 40.000 38.487 -0.059 0.000 1.121 294 N HN 0.245 nan 8.380 nan 0.000 0.466 295 V N 1.815 121.667 119.914 -0.103 0.000 2.443 295 V HA 0.220 4.348 4.120 0.013 0.000 0.293 295 V C -0.264 175.741 176.094 -0.148 0.000 1.021 295 V CA -0.840 61.357 62.300 -0.171 0.000 0.848 295 V CB 1.374 33.007 31.823 -0.317 0.000 0.998 295 V HN 0.608 nan 8.190 nan 0.000 0.424 296 E N 3.001 123.136 120.200 -0.108 0.000 2.313 296 E HA 0.242 4.600 4.350 0.013 0.000 0.276 296 E C 0.198 176.765 176.600 -0.055 0.000 1.031 296 E CA -0.250 56.113 56.400 -0.063 0.000 0.857 296 E CB 0.619 30.293 29.700 -0.043 0.000 1.040 296 E HN 0.768 nan 8.360 nan 0.000 0.408 297 N N 1.434 120.128 118.700 -0.010 0.000 2.699 297 N HA -0.156 4.592 4.740 0.013 0.000 0.256 297 N C -2.477 173.032 175.510 -0.001 0.000 0.993 297 N CA 0.158 53.219 53.050 0.018 0.000 0.759 297 N CB -1.027 37.473 38.487 0.022 0.000 0.906 297 N HN 0.325 nan 8.380 nan 0.000 0.541 298 P HA -0.003 nan 4.420 nan 0.000 0.268 298 P C -0.316 177.018 177.300 0.057 0.000 1.205 298 P CA 0.295 63.299 63.100 -0.160 0.000 0.771 298 P CB 0.751 32.152 31.700 -0.498 0.000 0.858 299 K N 2.898 123.409 120.400 0.186 0.000 2.378 299 K HA 0.238 4.566 4.320 0.013 0.000 0.288 299 K C 0.261 177.027 176.600 0.276 0.000 1.057 299 K CA -0.206 56.196 56.287 0.193 0.000 0.971 299 K CB 0.161 32.748 32.500 0.145 0.000 0.975 299 K HN 0.454 nan 8.250 nan 0.000 0.475 300 L N 2.487 123.801 121.223 0.151 0.000 2.379 300 L HA 0.363 4.711 4.340 0.013 0.000 0.269 300 L C -0.036 176.914 176.870 0.132 0.000 1.084 300 L CA -0.969 53.967 54.840 0.160 0.000 0.802 300 L CB 0.576 42.570 42.059 -0.108 0.000 1.175 300 L HN 0.602 nan 8.230 nan 0.000 0.448 301 W N 2.623 123.946 121.300 0.039 0.000 2.438 301 W HA 0.513 5.180 4.660 0.012 0.000 0.324 301 W C -0.115 176.344 176.519 -0.100 0.000 1.119 301 W CA 0.067 57.417 57.345 0.009 0.000 1.221 301 W CB 1.406 30.925 29.460 0.099 0.000 1.253 301 W HN 0.616 nan 8.180 nan 0.000 0.555 302 S N 2.868 118.074 115.700 -0.823 0.000 2.643 302 S HA 0.626 5.104 4.470 0.013 0.000 0.270 302 S C 0.113 173.905 174.600 -1.348 0.000 1.166 302 S CA -0.376 57.339 58.200 -0.808 0.000 0.815 302 S CB 1.106 64.063 63.200 -0.405 0.000 1.139 302 S HN 0.998 nan 8.310 nan 0.000 0.472 303 A N 0.526 122.698 122.820 -1.079 0.000 2.015 303 A HA 0.023 4.351 4.320 0.013 0.000 0.219 303 A C 1.744 178.982 177.584 -0.576 0.000 1.163 303 A CA 1.563 52.996 52.037 -1.007 0.000 0.646 303 A CB -0.986 17.279 19.000 -1.225 0.000 0.806 303 A HN 0.879 nan 8.150 nan 0.000 0.448 304 E N -0.703 119.301 120.200 -0.328 0.000 2.107 304 E HA 0.044 4.402 4.350 0.013 0.000 0.191 304 E C -0.127 176.326 176.600 -0.246 0.000 0.982 304 E CA 0.716 56.989 56.400 -0.212 0.000 0.809 304 E CB -0.004 29.701 29.700 0.009 0.000 0.756 304 E HN 0.607 nan 8.360 nan 0.000 0.459 305 I N 1.902 122.295 120.570 -0.294 0.000 2.583 305 I HA 0.153 4.331 4.170 0.013 0.000 0.276 305 I C -2.456 173.427 176.117 -0.390 0.000 1.089 305 I CA -1.812 59.340 61.300 -0.247 0.000 1.103 305 I CB 1.990 39.904 38.000 -0.143 0.000 1.209 305 I HN -0.213 nan 8.210 nan 0.000 0.484 306 P HA 0.042 nan 4.420 nan 0.000 0.232 306 P C -0.471 176.787 177.300 -0.070 0.000 1.738 306 P CA -0.163 62.600 63.100 -0.561 0.000 0.948 306 P CB -0.318 31.187 31.700 -0.325 0.000 1.943 307 N N 1.490 120.178 118.700 -0.019 0.000 2.412 307 N HA 0.089 4.837 4.740 0.013 0.000 0.258 307 N C 0.141 175.853 175.510 0.336 0.000 1.236 307 N CA 0.556 53.677 53.050 0.119 0.000 0.882 307 N CB 0.730 39.282 38.487 0.108 0.000 1.066 307 N HN 0.313 nan 8.380 nan 0.000 0.465 308 L N 2.261 123.604 121.223 0.200 0.000 2.388 308 L HA 0.468 4.816 4.340 0.013 0.000 0.264 308 L C -0.776 176.168 176.870 0.123 0.000 0.998 308 L CA -0.857 54.152 54.840 0.282 0.000 0.817 308 L CB 1.324 43.517 42.059 0.223 0.000 1.338 308 L HN 0.390 nan 8.230 nan 0.000 0.414 309 Y N 0.285 120.735 120.300 0.250 0.000 2.631 309 Y HA 0.665 5.224 4.550 0.014 0.000 0.328 309 Y C -0.153 175.863 175.900 0.193 0.000 1.118 309 Y CA -0.803 57.443 58.100 0.244 0.000 1.206 309 Y CB 1.493 40.157 38.460 0.340 0.000 1.337 309 Y HN 0.375 nan 8.280 nan 0.000 0.515 310 R N 0.892 121.629 120.500 0.396 0.000 2.480 310 R HA 0.784 5.132 4.340 0.013 0.000 0.306 310 R C -1.656 174.825 176.300 0.303 0.000 0.958 310 R CA -0.509 55.746 56.100 0.259 0.000 0.861 310 R CB 1.077 31.464 30.300 0.144 0.000 1.171 310 R HN 0.735 nan 8.270 nan 0.000 0.445 311 A N 3.750 126.689 122.820 0.199 0.000 2.292 311 A HA 0.642 4.970 4.320 0.013 0.000 0.319 311 A C -1.040 176.587 177.584 0.073 0.000 1.206 311 A CA -0.627 51.503 52.037 0.155 0.000 0.835 311 A CB 1.287 20.346 19.000 0.098 0.000 1.164 311 A HN 0.484 nan 8.150 nan 0.000 0.505 312 V N 3.392 123.354 119.914 0.080 0.000 2.448 312 V HA 0.371 4.499 4.120 0.013 0.000 0.295 312 V C -0.417 175.640 176.094 -0.062 0.000 1.025 312 V CA -0.505 61.782 62.300 -0.022 0.000 0.859 312 V CB 1.690 33.513 31.823 0.000 0.000 0.988 312 V HN 0.628 nan 8.190 nan 0.000 0.431 313 V N 4.934 124.739 119.914 -0.182 0.000 2.328 313 V HA 0.417 4.545 4.120 0.013 0.000 0.278 313 V C -0.025 176.002 176.094 -0.111 0.000 1.021 313 V CA -0.524 61.646 62.300 -0.217 0.000 0.838 313 V CB 1.255 32.768 31.823 -0.516 0.000 0.999 313 V HN 0.918 nan 8.190 nan 0.000 0.447 314 E N 3.909 124.099 120.200 -0.017 0.000 2.166 314 E HA 0.504 4.862 4.350 0.013 0.000 0.275 314 E C -1.045 175.638 176.600 0.137 0.000 0.941 314 E CA -0.880 55.561 56.400 0.068 0.000 0.784 314 E CB 2.466 32.231 29.700 0.108 0.000 1.115 314 E HN 0.452 nan 8.360 nan 0.000 0.399 315 L N 4.674 125.961 121.223 0.107 0.000 2.265 315 L HA 0.402 4.750 4.340 0.013 0.000 0.289 315 L C -0.943 176.028 176.870 0.167 0.000 1.033 315 L CA 0.105 55.005 54.840 0.101 0.000 0.814 315 L CB -0.067 42.043 42.059 0.085 0.000 1.203 315 L HN 0.702 nan 8.230 nan 0.000 0.423 316 H N 0.481 119.594 119.070 0.072 0.000 2.928 316 H HA 0.815 5.379 4.556 0.013 0.000 0.285 316 H C -0.793 174.608 175.328 0.122 0.000 1.438 316 H CA -0.423 55.671 56.048 0.076 0.000 1.176 316 H CB 0.811 30.597 29.762 0.040 0.000 1.864 316 H HN 0.488 nan 8.280 nan 0.000 0.567 317 T N -2.371 112.330 114.554 0.245 0.000 2.944 317 T HA 0.591 4.949 4.350 0.013 0.000 0.284 317 T C 1.295 176.140 174.700 0.243 0.000 1.010 317 T CA -0.394 61.830 62.100 0.208 0.000 1.025 317 T CB 1.583 70.526 68.868 0.125 0.000 1.079 317 T HN 0.951 nan 8.240 nan 0.000 0.516 318 A N 0.773 123.692 122.820 0.164 0.000 1.972 318 A HA -0.022 4.306 4.320 0.013 0.000 0.219 318 A C 1.686 179.350 177.584 0.133 0.000 1.169 318 A CA 1.358 53.481 52.037 0.143 0.000 0.635 318 A CB -0.763 18.301 19.000 0.108 0.000 0.810 318 A HN 0.885 nan 8.150 nan 0.000 0.446 319 D N -1.289 119.167 120.400 0.093 0.000 2.319 319 D HA 0.286 4.934 4.640 0.013 0.000 0.230 319 D C 1.227 177.558 176.300 0.051 0.000 1.094 319 D CA 1.013 55.044 54.000 0.051 0.000 0.856 319 D CB 0.135 40.940 40.800 0.008 0.000 0.915 319 D HN 0.619 nan 8.370 nan 0.000 0.517 320 G N 0.417 109.277 108.800 0.101 0.000 2.179 320 G HA2 -0.224 3.744 3.960 0.013 0.000 0.220 320 G HA3 -0.224 3.744 3.960 0.013 0.000 0.220 320 G C 0.484 175.410 174.900 0.043 0.000 0.990 320 G CA -0.173 44.957 45.100 0.050 0.000 0.646 320 G HN 0.271 nan 8.290 nan 0.000 0.517 321 T N 1.452 116.051 114.554 0.074 0.000 2.771 321 T HA 0.536 4.894 4.350 0.013 0.000 0.291 321 T C 0.174 174.936 174.700 0.104 0.000 0.954 321 T CA -0.216 61.918 62.100 0.057 0.000 1.045 321 T CB 1.791 70.674 68.868 0.026 0.000 0.917 321 T HN 0.566 nan 8.240 nan 0.000 0.484 322 L N 5.047 126.315 121.223 0.075 0.000 2.360 322 L HA 0.383 4.731 4.340 0.013 0.000 0.276 322 L C 0.771 177.696 176.870 0.092 0.000 1.121 322 L CA 0.355 55.254 54.840 0.099 0.000 0.845 322 L CB 0.134 42.225 42.059 0.053 0.000 1.143 322 L HN 0.719 nan 8.230 nan 0.000 0.452 323 I N 2.969 123.602 120.570 0.106 0.000 2.429 323 I HA 0.095 4.273 4.170 0.013 0.000 0.247 323 I C 0.313 176.453 176.117 0.039 0.000 1.099 323 I CA 0.549 61.890 61.300 0.069 0.000 1.422 323 I CB 0.151 38.196 38.000 0.075 0.000 1.112 323 I HN 0.820 nan 8.210 nan 0.000 0.430 324 E N -0.110 120.115 120.200 0.041 0.000 2.403 324 E HA 0.695 5.053 4.350 0.013 0.000 0.280 324 E C -1.504 175.116 176.600 0.034 0.000 1.101 324 E CA -1.079 55.335 56.400 0.024 0.000 0.856 324 E CB 1.516 31.192 29.700 -0.040 0.000 1.303 324 E HN -0.035 nan 8.360 nan 0.000 0.441 325 A N 1.006 123.869 122.820 0.071 0.000 2.498 325 A HA 0.753 5.081 4.320 0.013 0.000 0.298 325 A C -1.046 176.631 177.584 0.156 0.000 1.075 325 A CA -0.701 51.379 52.037 0.070 0.000 0.714 325 A CB 1.782 20.823 19.000 0.068 0.000 1.299 325 A HN 0.516 nan 8.150 nan 0.000 0.407 326 E N -0.617 119.610 120.200 0.045 0.000 2.423 326 E HA 0.843 5.201 4.350 0.013 0.000 0.269 326 E C -0.625 176.006 176.600 0.051 0.000 0.948 326 E CA -0.512 55.990 56.400 0.171 0.000 0.802 326 E CB 2.404 32.115 29.700 0.017 0.000 1.339 326 E HN 1.287 nan 8.360 nan 0.000 0.445 327 A N -0.143 122.835 122.820 0.263 0.000 2.586 327 A HA 0.699 5.027 4.320 0.013 0.000 0.291 327 A C -1.178 176.601 177.584 0.324 0.000 1.062 327 A CA -0.383 51.721 52.037 0.112 0.000 0.666 327 A CB 0.700 19.661 19.000 -0.064 0.000 1.281 327 A HN 0.862 nan 8.150 nan 0.000 0.421 328 C N -0.484 118.957 119.300 0.235 0.000 3.288 328 C HA 0.826 5.294 4.460 0.013 0.000 0.318 328 C C -1.308 173.776 174.990 0.157 0.000 1.356 328 C CA -0.908 58.252 59.018 0.237 0.000 1.359 328 C CB 1.135 29.043 27.740 0.280 0.000 1.688 328 C HN 0.819 nan 8.230 nan 0.000 0.467 329 D N 1.038 121.516 120.400 0.131 0.000 2.302 329 D HA 0.550 5.198 4.640 0.013 0.000 0.248 329 D C -0.322 176.033 176.300 0.093 0.000 1.094 329 D CA 0.177 54.255 54.000 0.130 0.000 0.897 329 D CB 1.807 42.687 40.800 0.133 0.000 1.200 329 D HN 0.550 nan 8.370 nan 0.000 0.429 330 V N 1.045 121.042 119.914 0.138 0.000 2.604 330 V HA 0.672 4.801 4.120 0.013 0.000 0.305 330 V C 0.550 176.717 176.094 0.121 0.000 1.043 330 V CA -0.838 61.491 62.300 0.048 0.000 0.888 330 V CB 2.095 33.934 31.823 0.027 0.000 0.995 330 V HN 0.610 nan 8.190 nan 0.000 0.429 331 G N 2.988 111.757 108.800 -0.052 0.000 2.502 331 G HA2 0.588 4.556 3.960 0.013 0.000 0.311 331 G HA3 0.588 4.556 3.960 0.013 0.000 0.311 331 G C -0.939 174.021 174.900 0.100 0.000 1.270 331 G CA -0.385 44.753 45.100 0.063 0.000 0.948 331 G HN 0.440 nan 8.290 nan 0.000 0.487 332 F N 4.190 124.333 119.950 0.322 0.000 2.468 332 F HA 0.374 4.908 4.527 0.013 0.000 0.356 332 F C 1.202 177.238 175.800 0.394 0.000 1.167 332 F CA -0.032 58.219 58.000 0.417 0.000 1.135 332 F CB 0.528 39.797 39.000 0.450 0.000 1.197 332 F HN 0.431 nan 8.300 nan 0.000 0.569 333 R N 3.020 123.782 120.500 0.437 0.000 2.643 333 R HA 0.438 4.786 4.340 0.013 0.000 0.269 333 R C -1.753 174.697 176.300 0.249 0.000 1.037 333 R CA -0.801 55.422 56.100 0.205 0.000 0.894 333 R CB 1.607 32.057 30.300 0.251 0.000 1.238 333 R HN 0.567 nan 8.270 nan 0.000 0.459 334 E N 2.123 122.390 120.200 0.111 0.000 2.171 334 E HA 0.463 4.821 4.350 0.013 0.000 0.271 334 E C -1.231 175.446 176.600 0.128 0.000 0.916 334 E CA -0.936 55.603 56.400 0.232 0.000 0.774 334 E CB 2.093 31.999 29.700 0.343 0.000 1.128 334 E HN 0.402 nan 8.360 nan 0.000 0.403 335 V N 5.726 125.707 119.914 0.112 0.000 2.378 335 V HA 0.533 4.661 4.120 0.013 0.000 0.288 335 V C -0.234 175.902 176.094 0.070 0.000 1.016 335 V CA -0.656 61.680 62.300 0.061 0.000 0.840 335 V CB 1.085 32.920 31.823 0.020 0.000 0.994 335 V HN 0.714 nan 8.190 nan 0.000 0.431 336 R N 4.304 124.844 120.500 0.066 0.000 2.707 336 R HA 0.740 5.088 4.340 0.013 0.000 0.272 336 R C -1.886 174.443 176.300 0.049 0.000 1.011 336 R CA -0.951 55.189 56.100 0.067 0.000 0.893 336 R CB 2.117 32.470 30.300 0.088 0.000 1.233 336 R HN 0.497 nan 8.270 nan 0.000 0.464 337 I N 1.338 121.936 120.570 0.047 0.000 2.321 337 I HA 0.329 4.507 4.170 0.013 0.000 0.291 337 I C -0.464 175.678 176.117 0.041 0.000 0.998 337 I CA -0.322 61.000 61.300 0.037 0.000 1.227 337 I CB 1.684 39.707 38.000 0.038 0.000 1.368 337 I HN 0.693 nan 8.210 nan 0.000 0.466 338 E N 5.812 126.033 120.200 0.035 0.000 2.290 338 E HA 0.247 4.605 4.350 0.013 0.000 0.274 338 E C -0.275 176.342 176.600 0.027 0.000 0.889 338 E CA -0.551 55.871 56.400 0.036 0.000 0.760 338 E CB 1.064 30.792 29.700 0.046 0.000 1.206 338 E HN 0.542 nan 8.360 nan 0.000 0.419 339 N N 2.974 121.690 118.700 0.026 0.000 2.714 339 N HA -0.232 4.516 4.740 0.013 0.000 0.250 339 N C 0.451 175.970 175.510 0.014 0.000 1.117 339 N CA 2.113 55.175 53.050 0.020 0.000 0.719 339 N CB -1.150 37.348 38.487 0.018 0.000 1.081 339 N HN 0.971 nan 8.380 nan 0.000 0.557 340 G N -2.278 106.531 108.800 0.015 0.000 2.176 340 G HA2 -0.279 3.689 3.960 0.013 0.000 0.253 340 G HA3 -0.279 3.689 3.960 0.013 0.000 0.253 340 G C -0.115 174.784 174.900 -0.002 0.000 0.979 340 G CA 0.437 45.543 45.100 0.009 0.000 0.641 340 G HN 0.440 nan 8.290 nan 0.000 0.530 341 L N 0.328 121.550 121.223 -0.001 0.000 2.346 341 L HA 0.683 5.031 4.340 0.013 0.000 0.276 341 L C 0.130 176.992 176.870 -0.013 0.000 1.006 341 L CA -1.317 53.514 54.840 -0.015 0.000 0.817 341 L CB 1.839 43.889 42.059 -0.015 0.000 1.272 341 L HN 0.104 nan 8.230 nan 0.000 0.421 342 L N 4.889 126.092 121.223 -0.033 0.000 2.315 342 L HA 0.404 4.752 4.340 0.013 0.000 0.283 342 L C -0.805 176.044 176.870 -0.033 0.000 1.089 342 L CA 0.447 55.268 54.840 -0.031 0.000 0.833 342 L CB 0.236 42.261 42.059 -0.056 0.000 1.170 342 L HN 0.389 nan 8.230 nan 0.000 0.442 343 L N 6.127 127.347 121.223 -0.005 0.000 2.329 343 L HA 0.538 4.886 4.340 0.013 0.000 0.279 343 L C -0.756 176.126 176.870 0.019 0.000 1.014 343 L CA -0.775 54.072 54.840 0.012 0.000 0.814 343 L CB 1.880 43.968 42.059 0.047 0.000 1.257 343 L HN 0.551 nan 8.230 nan 0.000 0.424 344 L N 3.994 125.239 121.223 0.036 0.000 2.325 344 L HA 0.485 4.833 4.340 0.013 0.000 0.281 344 L C -0.162 176.716 176.870 0.013 0.000 1.004 344 L CA -0.086 54.779 54.840 0.040 0.000 0.823 344 L CB 0.953 43.044 42.059 0.054 0.000 1.236 344 L HN 0.605 nan 8.230 nan 0.000 0.415 345 N N 4.090 122.664 118.700 -0.211 0.000 2.721 345 N HA -0.223 4.525 4.740 0.013 0.000 0.249 345 N C 0.934 176.104 175.510 -0.565 0.000 1.072 345 N CA 1.304 53.880 53.050 -0.790 0.000 0.710 345 N CB -1.297 36.666 38.487 -0.873 0.000 0.993 345 N HN 1.166 nan 8.380 nan 0.000 0.547 346 G N -2.037 106.715 108.800 -0.081 0.000 2.184 346 G HA2 -0.363 3.605 3.960 0.013 0.000 0.264 346 G HA3 -0.363 3.605 3.960 0.013 0.000 0.264 346 G C -0.018 174.913 174.900 0.053 0.000 0.975 346 G CA 0.971 46.127 45.100 0.094 0.000 0.642 346 G HN 0.414 nan 8.290 nan 0.000 0.536 347 K N 0.784 121.212 120.400 0.048 0.000 2.207 347 K HA 0.542 4.870 4.320 0.013 0.000 0.255 347 K C -2.737 173.844 176.600 -0.031 0.000 0.941 347 K CA -2.262 54.014 56.287 -0.018 0.000 0.825 347 K CB 2.391 34.808 32.500 -0.138 0.000 1.119 347 K HN 0.054 nan 8.250 nan 0.000 0.430 348 P HA 0.233 nan 4.420 nan 0.000 0.282 348 P C -0.112 177.131 177.300 -0.095 0.000 1.262 348 P CA -0.297 62.763 63.100 -0.066 0.000 0.773 348 P CB 0.588 32.249 31.700 -0.064 0.000 0.879 349 L N 3.281 124.444 121.223 -0.100 0.000 2.453 349 L HA 0.283 4.631 4.340 0.013 0.000 0.261 349 L C 0.627 177.419 176.870 -0.130 0.000 1.179 349 L CA -0.600 54.169 54.840 -0.118 0.000 0.813 349 L CB 0.333 42.278 42.059 -0.191 0.000 1.110 349 L HN 0.262 nan 8.230 nan 0.000 0.466 350 L N 3.783 124.945 121.223 -0.101 0.000 2.401 350 L HA 0.406 4.754 4.340 0.013 0.000 0.263 350 L C -0.509 176.317 176.870 -0.074 0.000 1.004 350 L CA -0.226 54.538 54.840 -0.127 0.000 0.881 350 L CB 0.787 42.799 42.059 -0.077 0.000 1.219 350 L HN 0.250 nan 8.230 nan 0.000 0.441 351 I N 4.796 125.253 120.570 -0.189 0.000 2.421 351 I HA 0.163 4.341 4.170 0.013 0.000 0.291 351 I C 0.638 176.716 176.117 -0.065 0.000 1.089 351 I CA 0.289 61.483 61.300 -0.176 0.000 1.354 351 I CB 0.297 38.058 38.000 -0.398 0.000 1.413 351 I HN 0.551 nan 8.210 nan 0.000 0.513 352 R N 4.750 125.295 120.500 0.076 0.000 3.070 352 R HA 0.422 4.770 4.340 0.013 0.000 0.252 352 R C 0.534 176.958 176.300 0.207 0.000 1.370 352 R CA -0.262 55.915 56.100 0.128 0.000 1.482 352 R CB 0.765 30.962 30.300 -0.172 0.000 1.220 352 R HN 0.766 nan 8.270 nan 0.000 0.622 353 G N 0.025 108.917 108.800 0.153 0.000 2.552 353 G HA2 0.583 4.551 3.960 0.013 0.000 0.324 353 G HA3 0.583 4.551 3.960 0.013 0.000 0.324 353 G C -1.311 173.916 174.900 0.545 0.000 1.217 353 G CA -0.437 44.763 45.100 0.167 0.000 0.989 353 G HN 0.216 nan 8.290 nan 0.000 0.490 354 V N 0.018 120.219 119.914 0.478 0.000 2.971 354 V HA 0.465 4.593 4.120 0.013 0.000 0.309 354 V C -1.020 175.208 176.094 0.222 0.000 1.130 354 V CA -1.210 61.245 62.300 0.258 0.000 0.964 354 V CB 2.202 33.877 31.823 -0.246 0.000 1.029 354 V HN 0.768 nan 8.190 nan 0.000 0.427 355 N N 4.138 122.888 118.700 0.084 0.000 2.529 355 N HA 0.436 5.184 4.740 0.013 0.000 0.278 355 N C -0.727 174.590 175.510 -0.322 0.000 1.146 355 N CA -0.309 52.656 53.050 -0.142 0.000 0.980 355 N CB 1.459 39.828 38.487 -0.196 0.000 1.124 355 N HN 0.608 nan 8.380 nan 0.000 0.458 356 R N 2.056 122.333 120.500 -0.372 0.000 2.500 356 R HA 0.201 4.549 4.340 0.013 0.000 0.299 356 R C -0.920 175.134 176.300 -0.411 0.000 1.038 356 R CA -0.547 55.347 56.100 -0.343 0.000 0.903 356 R CB 0.700 30.782 30.300 -0.363 0.000 1.177 356 R HN 0.597 nan 8.270 nan 0.000 0.455 357 H N 2.109 121.022 119.070 -0.261 0.000 2.546 357 H HA 0.121 4.685 4.556 0.014 0.000 0.365 357 H C -0.448 174.873 175.328 -0.012 0.000 1.220 357 H CA 0.159 56.152 56.048 -0.091 0.000 1.386 357 H CB 1.348 31.127 29.762 0.028 0.000 1.510 357 H HN 0.563 nan 8.280 nan 0.000 0.591 358 E N 1.806 122.189 120.200 0.305 0.000 2.001 358 E HA 0.111 4.469 4.350 0.013 0.000 0.279 358 E C -0.706 176.036 176.600 0.237 0.000 1.045 358 E CA -0.038 56.463 56.400 0.169 0.000 0.833 358 E CB 0.311 30.125 29.700 0.189 0.000 1.077 358 E HN 0.371 nan 8.360 nan 0.000 0.397 359 H N 1.697 120.822 119.070 0.092 0.000 2.865 359 H HA 0.280 4.844 4.556 0.013 0.000 0.362 359 H C -1.685 173.689 175.328 0.077 0.000 1.114 359 H CA -0.678 55.422 56.048 0.086 0.000 1.208 359 H CB 1.119 30.921 29.762 0.068 0.000 1.727 359 H HN 0.402 nan 8.280 nan 0.000 0.534 360 H N 6.019 124.631 119.070 -0.763 0.000 2.782 360 H HA 0.222 4.786 4.556 0.013 0.000 0.347 360 H C -2.362 172.563 175.328 -0.672 0.000 1.038 360 H CA -2.391 53.366 56.048 -0.484 0.000 1.255 360 H CB 2.722 32.349 29.762 -0.225 0.000 1.623 360 H HN 0.535 nan 8.280 nan 0.000 0.525 361 P HA -0.057 nan 4.420 nan 0.000 0.222 361 P C 1.032 178.273 177.300 -0.099 0.000 1.147 361 P CA 0.789 63.777 63.100 -0.187 0.000 0.790 361 P CB 0.748 32.363 31.700 -0.141 0.000 0.780 362 L N -2.150 119.133 121.223 0.100 0.000 2.467 362 L HA 0.170 4.518 4.340 0.013 0.000 0.213 362 L C 2.045 178.696 176.870 -0.365 0.000 1.053 362 L CA 0.539 55.249 54.840 -0.216 0.000 0.847 362 L CB -0.750 41.066 42.059 -0.406 0.000 1.075 362 L HN -0.025 nan 8.230 nan 0.000 0.479 363 H N -0.281 118.680 119.070 -0.181 0.000 2.551 363 H HA 0.334 4.898 4.556 0.013 0.000 0.271 363 H C 1.430 176.641 175.328 -0.195 0.000 0.984 363 H CA 0.195 56.089 56.048 -0.257 0.000 1.164 363 H CB 0.539 30.063 29.762 -0.396 0.000 1.437 363 H HN 0.358 nan 8.280 nan 0.000 0.550 364 G N 1.490 110.199 108.800 -0.152 0.000 2.559 364 G HA2 -0.380 3.588 3.960 0.013 0.000 0.282 364 G HA3 -0.380 3.588 3.960 0.013 0.000 0.282 364 G C 0.622 175.449 174.900 -0.120 0.000 1.177 364 G CA 0.317 45.297 45.100 -0.201 0.000 0.960 364 G HN 0.452 nan 8.290 nan 0.000 0.540 365 Q N -0.009 119.745 119.800 -0.075 0.000 2.188 365 Q HA 0.468 4.816 4.340 0.013 0.000 0.212 365 Q C 0.207 176.317 176.000 0.183 0.000 0.846 365 Q CA -0.138 55.666 55.803 0.001 0.000 0.989 365 Q CB 1.338 29.956 28.738 -0.199 0.000 1.114 365 Q HN 0.372 nan 8.270 nan 0.000 0.488 366 V N 1.955 121.950 119.914 0.135 0.000 2.461 366 V HA 0.186 4.314 4.120 0.013 0.000 0.275 366 V C 0.159 176.316 176.094 0.106 0.000 1.047 366 V CA 0.062 62.449 62.300 0.146 0.000 0.955 366 V CB 1.007 32.851 31.823 0.034 0.000 0.988 366 V HN 0.331 nan 8.190 nan 0.000 0.471 367 M N 4.811 124.472 119.600 0.103 0.000 2.404 367 M HA 0.459 4.947 4.480 0.013 0.000 0.338 367 M C -0.438 175.817 176.300 -0.076 0.000 1.150 367 M CA -0.642 54.669 55.300 0.018 0.000 1.016 367 M CB 1.487 34.058 32.600 -0.049 0.000 1.672 367 M HN 0.952 nan 8.290 nan 0.000 0.448 368 D N -0.752 119.623 120.400 -0.041 0.000 2.477 368 D HA 0.272 4.920 4.640 0.013 0.000 0.234 368 D C 0.478 176.760 176.300 -0.030 0.000 1.048 368 D CA -0.682 53.288 54.000 -0.050 0.000 0.959 368 D CB 1.410 42.217 40.800 0.011 0.000 1.408 368 D HN 0.669 nan 8.370 nan 0.000 0.496 369 E N -0.278 119.914 120.200 -0.014 0.000 2.085 369 E HA -0.325 4.033 4.350 0.013 0.000 0.194 369 E C 1.659 178.304 176.600 0.075 0.000 0.994 369 E CA 1.234 57.656 56.400 0.036 0.000 0.801 369 E CB 0.092 29.828 29.700 0.060 0.000 0.743 369 E HN 0.594 nan 8.360 nan 0.000 0.453 370 Q N -0.328 119.519 119.800 0.078 0.000 2.096 370 Q HA -0.156 4.192 4.340 0.013 0.000 0.204 370 Q C 2.069 178.131 176.000 0.103 0.000 0.982 370 Q CA 2.106 57.964 55.803 0.092 0.000 0.850 370 Q CB -0.040 28.755 28.738 0.095 0.000 0.901 370 Q HN 0.326 nan 8.270 nan 0.000 0.422 371 T N 0.824 115.447 114.554 0.115 0.000 2.777 371 T HA -0.101 4.257 4.350 0.013 0.000 0.266 371 T C 1.869 176.641 174.700 0.120 0.000 1.040 371 T CA 1.232 63.407 62.100 0.125 0.000 1.141 371 T CB -0.111 68.856 68.868 0.165 0.000 0.868 371 T HN 0.277 nan 8.240 nan 0.000 0.444 372 M N 0.522 120.197 119.600 0.126 0.000 2.086 372 M HA -0.096 4.392 4.480 0.013 0.000 0.261 372 M C 2.442 178.863 176.300 0.202 0.000 1.067 372 M CA 1.345 56.788 55.300 0.239 0.000 1.116 372 M CB -0.569 32.207 32.600 0.294 0.000 1.348 372 M HN 0.103 nan 8.290 nan 0.000 0.407 373 V N 0.207 120.183 119.914 0.103 0.000 2.358 373 V HA -0.294 3.834 4.120 0.013 0.000 0.246 373 V C 2.319 178.403 176.094 -0.017 0.000 1.047 373 V CA 2.082 64.382 62.300 0.000 0.000 1.035 373 V CB -0.873 30.987 31.823 0.061 0.000 0.658 373 V HN 0.563 nan 8.190 nan 0.000 0.452 374 Q N -0.285 119.549 119.800 0.058 0.000 2.096 374 Q HA -0.278 4.070 4.340 0.013 0.000 0.204 374 Q C 1.920 177.983 176.000 0.106 0.000 0.982 374 Q CA 2.191 58.041 55.803 0.079 0.000 0.850 374 Q CB -0.131 28.669 28.738 0.104 0.000 0.901 374 Q HN 0.623 nan 8.270 nan 0.000 0.422 375 D N 0.323 120.798 120.400 0.125 0.000 2.084 375 D HA -0.129 4.519 4.640 0.013 0.000 0.196 375 D C 1.947 178.205 176.300 -0.071 0.000 0.985 375 D CA 1.212 55.284 54.000 0.121 0.000 0.826 375 D CB -0.225 40.627 40.800 0.086 0.000 0.978 375 D HN 0.352 nan 8.370 nan 0.000 0.456 376 I N 0.355 120.873 120.570 -0.087 0.000 2.208 376 I HA -0.264 3.914 4.170 0.013 0.000 0.245 376 I C 2.157 178.136 176.117 -0.229 0.000 1.097 376 I CA 0.525 61.668 61.300 -0.262 0.000 1.363 376 I CB -0.091 37.619 38.000 -0.483 0.000 1.051 376 I HN -0.009 nan 8.210 nan 0.000 0.413 377 L N 0.049 121.173 121.223 -0.164 0.000 2.046 377 L HA -0.189 4.159 4.340 0.013 0.000 0.208 377 L C 2.347 179.278 176.870 0.102 0.000 1.077 377 L CA 1.793 56.622 54.840 -0.019 0.000 0.747 377 L CB -0.693 41.373 42.059 0.012 0.000 0.896 377 L HN 0.184 nan 8.230 nan 0.000 0.432 378 L N -1.906 119.398 121.223 0.135 0.000 2.093 378 L HA -0.228 4.120 4.340 0.013 0.000 0.208 378 L C 2.464 179.494 176.870 0.266 0.000 1.085 378 L CA 1.080 56.085 54.840 0.275 0.000 0.755 378 L CB -0.312 42.023 42.059 0.460 0.000 0.904 378 L HN 0.284 nan 8.230 nan 0.000 0.435 379 M N -0.591 118.983 119.600 -0.043 0.000 2.067 379 M HA -0.245 4.243 4.480 0.013 0.000 0.260 379 M C 2.257 178.641 176.300 0.140 0.000 1.069 379 M CA 1.918 57.124 55.300 -0.157 0.000 1.117 379 M CB -0.339 31.923 32.600 -0.563 0.000 1.334 379 M HN 0.036 nan 8.290 nan 0.000 0.407 380 K N -0.102 120.281 120.400 -0.029 0.000 2.097 380 K HA -0.157 4.171 4.320 0.013 0.000 0.205 380 K C 1.994 178.591 176.600 -0.005 0.000 1.050 380 K CA 1.194 57.369 56.287 -0.187 0.000 0.938 380 K CB -0.190 31.979 32.500 -0.553 0.000 0.718 380 K HN 0.425 nan 8.250 nan 0.000 0.442 381 Q N 0.394 120.354 119.800 0.267 0.000 2.291 381 Q HA -0.048 4.300 4.340 0.013 0.000 0.206 381 Q C 0.739 177.037 176.000 0.496 0.000 0.976 381 Q CA 0.790 56.861 55.803 0.447 0.000 0.875 381 Q CB 0.147 29.114 28.738 0.381 0.000 0.927 381 Q HN 0.257 nan 8.270 nan 0.000 0.450 382 N N 0.566 119.509 118.700 0.406 0.000 2.321 382 N HA 0.059 4.807 4.740 0.013 0.000 0.242 382 N C -0.680 174.917 175.510 0.145 0.000 1.141 382 N CA 0.020 53.290 53.050 0.366 0.000 0.864 382 N CB 0.716 39.502 38.487 0.499 0.000 1.100 382 N HN 0.147 nan 8.380 nan 0.000 0.510 383 N N 0.151 118.951 118.700 0.166 0.000 2.776 383 N HA -0.189 4.559 4.740 0.013 0.000 0.250 383 N C -0.807 174.622 175.510 -0.135 0.000 1.112 383 N CA 0.776 53.884 53.050 0.097 0.000 0.733 383 N CB -1.758 36.684 38.487 -0.074 0.000 1.097 383 N HN 0.267 nan 8.380 nan 0.000 0.558 384 F N 1.062 121.025 119.950 0.022 0.000 2.389 384 F HA 0.274 4.809 4.527 0.013 0.000 0.337 384 F C 1.798 177.588 175.800 -0.017 0.000 1.112 384 F CA -0.439 57.557 58.000 -0.007 0.000 1.192 384 F CB 0.740 39.713 39.000 -0.045 0.000 1.185 384 F HN 0.069 nan 8.300 nan 0.000 0.552 385 N N 0.631 119.443 118.700 0.186 0.000 2.160 385 N HA 0.444 5.192 4.740 0.013 0.000 0.226 385 N C -0.896 174.664 175.510 0.083 0.000 1.256 385 N CA -0.022 53.067 53.050 0.065 0.000 0.890 385 N CB 0.736 39.304 38.487 0.134 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.594 122.348 122.820 0.203 0.000 2.604 386 A HA 0.744 5.072 4.320 0.013 0.000 0.295 386 A C -1.821 175.988 177.584 0.373 0.000 1.067 386 A CA -0.703 51.520 52.037 0.309 0.000 0.683 386 A CB 1.786 20.981 19.000 0.324 0.000 1.281 386 A HN 0.206 nan 8.150 nan 0.000 0.407 387 V N 1.178 121.365 119.914 0.454 0.000 2.841 387 V HA 0.790 4.918 4.120 0.013 0.000 0.310 387 V C -0.568 175.667 176.094 0.236 0.000 1.090 387 V CA -0.691 61.827 62.300 0.364 0.000 0.930 387 V CB 1.864 33.839 31.823 0.252 0.000 1.014 387 V HN 1.113 nan 8.190 nan 0.000 0.425 388 R N 4.930 125.404 120.500 -0.044 0.000 2.393 388 R HA 0.481 4.829 4.340 0.013 0.000 0.310 388 R C -0.746 175.412 176.300 -0.237 0.000 0.968 388 R CA -0.457 55.433 56.100 -0.351 0.000 0.867 388 R CB 1.115 30.974 30.300 -0.735 0.000 1.124 388 R HN 0.791 nan 8.270 nan 0.000 0.450 389 C N 4.529 123.720 119.300 -0.181 0.000 2.896 389 C HA 0.126 4.594 4.460 0.013 0.000 0.499 389 C C 0.473 175.189 174.990 -0.457 0.000 1.022 389 C CA -0.427 58.435 59.018 -0.260 0.000 1.127 389 C CB -2.025 25.677 27.740 -0.063 0.000 1.452 389 C HN 0.735 nan 8.230 nan 0.000 0.580 390 S N 1.476 116.780 115.700 -0.660 0.000 2.488 390 S HA 0.186 4.664 4.470 0.013 0.000 0.278 390 S C -0.099 173.600 174.600 -1.502 0.000 1.259 390 S CA 0.101 57.659 58.200 -1.069 0.000 1.061 390 S CB 0.163 62.706 63.200 -1.096 0.000 0.910 390 S HN 0.729 nan 8.310 nan 0.000 0.491 391 H N 3.730 122.175 119.070 -1.042 0.000 2.439 391 H HA 0.324 4.888 4.556 0.013 0.000 0.230 391 H C -1.170 174.040 175.328 -0.197 0.000 1.420 391 H CA -0.339 55.504 56.048 -0.341 0.000 1.305 391 H CB -0.190 29.570 29.762 -0.004 0.000 1.667 391 H HN 0.887 nan 8.280 nan 0.000 0.515 392 Y N -2.958 117.441 120.300 0.165 0.000 2.765 392 Y HA 0.382 4.941 4.550 0.014 0.000 0.350 392 Y C -3.319 172.686 175.900 0.174 0.000 1.196 392 Y CA -3.112 55.096 58.100 0.180 0.000 1.119 392 Y CB -0.012 38.560 38.460 0.187 0.000 1.368 392 Y HN -0.093 nan 8.280 nan 0.000 0.463 393 P HA 0.136 nan 4.420 nan 0.000 0.268 393 P C -0.599 176.988 177.300 0.479 0.000 1.205 393 P CA 0.227 63.577 63.100 0.417 0.000 0.771 393 P CB 0.564 32.442 31.700 0.296 0.000 0.858 394 N N 0.495 119.485 118.700 0.483 0.000 2.447 394 N HA 0.098 4.846 4.740 0.013 0.000 0.271 394 N C 0.082 175.823 175.510 0.384 0.000 1.226 394 N CA -0.611 52.638 53.050 0.332 0.000 0.980 394 N CB 0.364 38.841 38.487 -0.016 0.000 1.206 394 N HN 0.597 nan 8.380 nan 0.000 0.558 395 H N 2.188 121.357 119.070 0.165 0.000 3.001 395 H HA -0.001 4.563 4.556 0.013 0.000 0.334 395 H C -1.620 173.867 175.328 0.264 0.000 1.034 395 H CA -0.747 55.388 56.048 0.144 0.000 1.420 395 H CB 1.002 30.815 29.762 0.085 0.000 1.405 395 H HN 0.433 nan 8.280 nan 0.000 0.593 396 P HA -0.210 nan 4.420 nan 0.000 0.217 396 P C 1.781 179.389 177.300 0.513 0.000 1.148 396 P CA 0.667 63.998 63.100 0.386 0.000 0.828 396 P CB 0.252 32.032 31.700 0.133 0.000 0.783 397 L N -0.964 120.658 121.223 0.665 0.000 2.201 397 L HA -0.041 4.307 4.340 0.013 0.000 0.212 397 L C 2.393 179.445 176.870 0.304 0.000 1.105 397 L CA 1.290 56.380 54.840 0.417 0.000 0.775 397 L CB -1.575 40.655 42.059 0.285 0.000 0.913 397 L HN 0.040 nan 8.230 nan 0.000 0.440 398 W N -0.523 120.813 121.300 0.060 0.000 2.338 398 W HA -0.339 4.328 4.660 0.013 0.000 0.304 398 W C 2.106 178.475 176.519 -0.249 0.000 1.212 398 W CA 1.903 59.143 57.345 -0.175 0.000 1.264 398 W CB -0.351 28.899 29.460 -0.349 0.000 1.142 398 W HN 0.268 nan 8.180 nan 0.000 0.512 399 Y N 0.732 120.971 120.300 -0.101 0.000 2.181 399 Y HA -0.221 4.337 4.550 0.013 0.000 0.288 399 Y C 2.852 178.532 175.900 -0.366 0.000 1.146 399 Y CA 2.191 60.004 58.100 -0.478 0.000 1.164 399 Y CB -1.267 36.533 38.460 -1.100 0.000 0.982 399 Y HN -0.220 nan 8.280 nan 0.000 0.515 400 T N 0.661 115.241 114.554 0.042 0.000 2.746 400 T HA -0.141 4.217 4.350 0.013 0.000 0.267 400 T C 1.998 176.742 174.700 0.074 0.000 1.039 400 T CA 1.347 63.544 62.100 0.163 0.000 1.142 400 T CB -0.543 68.464 68.868 0.231 0.000 0.866 400 T HN 0.230 nan 8.240 nan 0.000 0.444 401 L N 0.378 121.604 121.223 0.006 0.000 2.046 401 L HA -0.102 4.246 4.340 0.013 0.000 0.208 401 L C 2.862 179.709 176.870 -0.038 0.000 1.077 401 L CA 0.913 55.774 54.840 0.035 0.000 0.747 401 L CB -0.760 41.295 42.059 -0.006 0.000 0.896 401 L HN 0.369 nan 8.230 nan 0.000 0.432 402 C N -0.241 118.865 119.300 -0.323 0.000 2.440 402 C HA -0.132 4.336 4.460 0.013 0.000 0.278 402 C C 2.425 177.457 174.990 0.069 0.000 1.295 402 C CA 0.381 59.236 59.018 -0.272 0.000 1.738 402 C CB -0.774 26.690 27.740 -0.460 0.000 1.987 402 C HN 0.538 nan 8.230 nan 0.000 0.492 403 D N 0.487 120.943 120.400 0.093 0.000 2.117 403 D HA -0.100 4.548 4.640 0.013 0.000 0.197 403 D C 2.389 178.909 176.300 0.367 0.000 0.987 403 D CA 1.233 55.380 54.000 0.244 0.000 0.829 403 D CB -0.326 40.577 40.800 0.172 0.000 0.961 403 D HN 0.532 nan 8.370 nan 0.000 0.460 404 R N -1.108 119.497 120.500 0.174 0.000 2.140 404 R HA 0.040 4.388 4.340 0.013 0.000 0.213 404 R C 1.998 178.267 176.300 -0.052 0.000 1.059 404 R CA 0.415 56.548 56.100 0.056 0.000 1.000 404 R CB -0.069 30.195 30.300 -0.061 0.000 0.910 404 R HN 0.267 nan 8.270 nan 0.000 0.455 405 Y N 0.019 120.323 120.300 0.007 0.000 2.490 405 Y HA 0.185 4.742 4.550 0.013 0.000 0.285 405 Y C 0.962 176.781 175.900 -0.136 0.000 1.117 405 Y CA 0.686 58.762 58.100 -0.039 0.000 1.262 405 Y CB 0.745 39.160 38.460 -0.074 0.000 1.043 405 Y HN 0.205 nan 8.280 nan 0.000 0.553 406 G N 1.300 110.116 108.800 0.027 0.000 2.858 406 G HA2 -0.167 3.801 3.960 0.013 0.000 0.266 406 G HA3 -0.167 3.801 3.960 0.013 0.000 0.266 406 G C -1.171 173.565 174.900 -0.274 0.000 1.023 406 G CA -0.520 44.457 45.100 -0.204 0.000 1.172 406 G HN 0.178 nan 8.290 nan 0.000 0.523 407 L N 1.185 122.321 121.223 -0.145 0.000 2.455 407 L HA 0.499 4.847 4.340 0.013 0.000 0.264 407 L C 0.074 176.955 176.870 0.019 0.000 0.968 407 L CA -1.317 53.407 54.840 -0.193 0.000 0.827 407 L CB 1.936 43.903 42.059 -0.155 0.000 1.317 407 L HN 0.471 nan 8.230 nan 0.000 0.407 408 Y N 1.762 122.192 120.300 0.217 0.000 2.359 408 Y HA 0.375 4.935 4.550 0.016 0.000 0.330 408 Y C 0.214 176.244 175.900 0.216 0.000 1.143 408 Y CA -0.708 57.554 58.100 0.270 0.000 1.318 408 Y CB 1.167 39.766 38.460 0.231 0.000 1.234 408 Y HN 0.160 nan 8.280 nan 0.000 0.522 409 V N 4.158 124.266 119.914 0.325 0.000 2.604 409 V HA 0.302 4.430 4.120 0.013 0.000 0.305 409 V C -0.562 175.620 176.094 0.147 0.000 1.043 409 V CA -1.023 61.407 62.300 0.216 0.000 0.888 409 V CB 1.913 33.824 31.823 0.146 0.000 0.995 409 V HN 0.462 nan 8.190 nan 0.000 0.429 410 V N 3.309 123.279 119.914 0.094 0.000 2.333 410 V HA 0.318 4.447 4.120 0.013 0.000 0.274 410 V C -0.274 175.859 176.094 0.066 0.000 1.028 410 V CA -0.311 61.995 62.300 0.010 0.000 0.851 410 V CB 1.391 33.114 31.823 -0.165 0.000 1.000 410 V HN 0.890 nan 8.190 nan 0.000 0.456 411 D N 4.233 124.712 120.400 0.132 0.000 2.225 411 D HA 0.344 4.992 4.640 0.013 0.000 0.248 411 D C -0.269 176.223 176.300 0.321 0.000 1.096 411 D CA -0.119 54.057 54.000 0.293 0.000 0.863 411 D CB 1.395 42.402 40.800 0.345 0.000 1.156 411 D HN 0.694 nan 8.370 nan 0.000 0.450 412 E N 1.905 122.259 120.200 0.258 0.000 2.234 412 E HA 0.625 4.983 4.350 0.013 0.000 0.266 412 E C -1.100 175.637 176.600 0.228 0.000 0.877 412 E CA -1.054 55.482 56.400 0.227 0.000 0.758 412 E CB 1.398 31.180 29.700 0.138 0.000 1.170 412 E HN 0.452 nan 8.360 nan 0.000 0.415 413 A N 3.697 126.644 122.820 0.211 0.000 2.483 413 A HA 0.073 4.401 4.320 0.013 0.000 0.238 413 A C 0.316 178.025 177.584 0.208 0.000 1.070 413 A CA -0.199 51.942 52.037 0.175 0.000 0.770 413 A CB 0.137 19.203 19.000 0.110 0.000 1.008 413 A HN 0.702 nan 8.150 nan 0.000 0.497 414 N N 1.098 119.929 118.700 0.219 0.000 3.050 414 N HA 0.267 5.015 4.740 0.013 0.000 0.289 414 N C -1.068 174.572 175.510 0.218 0.000 1.209 414 N CA 0.201 53.415 53.050 0.274 0.000 1.154 414 N CB -0.836 37.816 38.487 0.274 0.000 1.444 414 N HN 0.470 nan 8.380 nan 0.000 0.529 415 I N 0.923 121.615 120.570 0.203 0.000 2.497 415 I HA 0.275 4.453 4.170 0.013 0.000 0.284 415 I C -0.587 175.633 176.117 0.170 0.000 1.060 415 I CA -0.596 60.806 61.300 0.170 0.000 1.071 415 I CB 1.681 39.755 38.000 0.124 0.000 1.216 415 I HN 0.248 nan 8.210 nan 0.000 0.442 416 E N 4.293 124.589 120.200 0.160 0.000 2.287 416 E HA 0.388 4.746 4.350 0.013 0.000 0.274 416 E C -0.598 176.065 176.600 0.104 0.000 0.896 416 E CA -0.494 55.969 56.400 0.106 0.000 0.788 416 E CB 1.639 31.381 29.700 0.070 0.000 1.244 416 E HN 0.578 nan 8.360 nan 0.000 0.408 417 T N 0.624 115.231 114.554 0.089 0.000 3.374 417 T HA 0.169 4.527 4.350 0.013 0.000 0.267 417 T C 0.826 175.582 174.700 0.093 0.000 0.996 417 T CA -0.343 61.837 62.100 0.132 0.000 0.977 417 T CB -0.267 68.662 68.868 0.103 0.000 1.149 417 T HN 0.658 nan 8.240 nan 0.000 0.517 418 H N 1.157 120.140 119.070 -0.146 0.000 2.352 418 H HA -0.017 4.547 4.556 0.014 0.000 0.299 418 H C 2.316 177.525 175.328 -0.198 0.000 1.097 418 H CA 1.272 57.207 56.048 -0.188 0.000 1.311 418 H CB -0.157 29.447 29.762 -0.264 0.000 1.377 418 H HN 0.581 nan 8.280 nan 0.000 0.504 419 G N 0.224 108.894 108.800 -0.217 0.000 2.776 419 G HA2 -0.038 3.930 3.960 0.013 0.000 0.209 419 G HA3 -0.038 3.930 3.960 0.013 0.000 0.209 419 G C 0.461 175.480 174.900 0.198 0.000 1.145 419 G CA -0.146 44.856 45.100 -0.163 0.000 0.791 419 G HN 0.148 nan 8.290 nan 0.000 0.530 420 M N 0.280 120.037 119.600 0.261 0.000 2.198 420 M HA 0.339 4.827 4.480 0.013 0.000 0.315 420 M C -0.338 175.999 176.300 0.061 0.000 1.134 420 M CA -0.272 55.124 55.300 0.160 0.000 1.171 420 M CB 1.355 34.001 32.600 0.075 0.000 1.413 420 M HN -0.204 nan 8.290 nan 0.000 0.467 421 V N 3.311 123.238 119.914 0.022 0.000 2.525 421 V HA 0.382 4.510 4.120 0.013 0.000 0.299 421 V C -2.003 174.083 176.094 -0.013 0.000 1.034 421 V CA -1.288 61.011 62.300 -0.002 0.000 0.863 421 V CB 1.921 33.737 31.823 -0.011 0.000 0.999 421 V HN 0.736 nan 8.190 nan 0.000 0.423 422 P HA 0.256 nan 4.420 nan 0.000 0.277 422 P C 0.989 178.291 177.300 0.004 0.000 1.276 422 P CA -0.500 62.595 63.100 -0.008 0.000 0.788 422 P CB 1.003 32.700 31.700 -0.006 0.000 1.114 423 M N 0.474 120.081 119.600 0.012 0.000 2.267 423 M HA -0.165 4.324 4.480 0.013 0.000 0.263 423 M C 1.190 177.515 176.300 0.041 0.000 1.063 423 M CA 1.762 57.079 55.300 0.029 0.000 1.090 423 M CB -0.487 32.118 32.600 0.009 0.000 1.392 423 M HN 0.372 nan 8.290 nan 0.000 0.422 424 N N -0.034 118.692 118.700 0.042 0.000 2.313 424 N HA -0.076 4.672 4.740 0.013 0.000 0.207 424 N C 1.094 176.596 175.510 -0.014 0.000 1.141 424 N CA 0.163 53.245 53.050 0.053 0.000 0.830 424 N CB -0.715 37.825 38.487 0.087 0.000 1.008 424 N HN 0.361 nan 8.380 nan 0.000 0.481 425 R N 0.371 120.846 120.500 -0.042 0.000 2.103 425 R HA -0.009 4.339 4.340 0.013 0.000 0.242 425 R C 1.453 177.661 176.300 -0.153 0.000 1.142 425 R CA 1.370 57.419 56.100 -0.084 0.000 0.960 425 R CB -0.043 30.203 30.300 -0.090 0.000 0.858 425 R HN 0.295 nan 8.270 nan 0.000 0.439 426 L N -0.637 120.438 121.223 -0.247 0.000 2.202 426 L HA -0.007 4.341 4.340 0.013 0.000 0.205 426 L C 2.506 179.261 176.870 -0.192 0.000 1.083 426 L CA 1.298 55.887 54.840 -0.418 0.000 0.790 426 L CB -0.493 41.080 42.059 -0.810 0.000 0.942 426 L HN 0.370 nan 8.230 nan 0.000 0.452 427 T N -4.304 110.165 114.554 -0.141 0.000 3.007 427 T HA -0.164 4.194 4.350 0.013 0.000 0.270 427 T C 1.277 175.909 174.700 -0.113 0.000 1.107 427 T CA 1.182 63.187 62.100 -0.158 0.000 1.118 427 T CB -0.227 68.512 68.868 -0.216 0.000 0.889 427 T HN 0.100 nan 8.240 nan 0.000 0.506 428 D N 1.249 121.615 120.400 -0.057 0.000 2.339 428 D HA 0.102 4.750 4.640 0.013 0.000 0.217 428 D C -0.198 176.092 176.300 -0.017 0.000 1.050 428 D CA -0.160 53.815 54.000 -0.042 0.000 0.856 428 D CB -0.088 40.692 40.800 -0.033 0.000 0.922 428 D HN 0.377 nan 8.370 nan 0.000 0.518 429 D N -0.199 120.208 120.400 0.012 0.000 2.280 429 D HA 0.120 4.768 4.640 0.013 0.000 0.236 429 D C -1.624 174.728 176.300 0.088 0.000 1.082 429 D CA -2.251 51.787 54.000 0.064 0.000 0.834 429 D CB 2.012 42.888 40.800 0.127 0.000 1.100 429 D HN -0.059 nan 8.370 nan 0.000 0.486 430 P HA -0.143 nan 4.420 nan 0.000 0.219 430 P C 0.977 178.278 177.300 0.001 0.000 1.146 430 P CA 0.869 63.977 63.100 0.013 0.000 0.808 430 P CB 0.297 31.994 31.700 -0.004 0.000 0.779 431 R N -1.780 118.728 120.500 0.013 0.000 2.237 431 R HA -0.081 4.267 4.340 0.013 0.000 0.219 431 R C 1.575 177.747 176.300 -0.213 0.000 1.080 431 R CA 1.115 57.159 56.100 -0.093 0.000 0.995 431 R CB -0.532 29.710 30.300 -0.097 0.000 0.875 431 R HN 0.330 nan 8.270 nan 0.000 0.462 432 W N -0.232 121.015 121.300 -0.089 0.000 3.278 432 W HA 0.139 4.806 4.660 0.013 0.000 0.308 432 W C 1.458 177.919 176.519 -0.097 0.000 1.253 432 W CA -0.515 56.776 57.345 -0.090 0.000 1.759 432 W CB 0.048 29.454 29.460 -0.089 0.000 1.093 432 W HN 0.008 nan 8.180 nan 0.000 0.648 433 L N 2.074 123.316 121.223 0.032 0.000 2.046 433 L HA -0.040 4.308 4.340 0.013 0.000 0.208 433 L C -0.699 176.131 176.870 -0.067 0.000 1.077 433 L CA 2.217 57.041 54.840 -0.026 0.000 0.747 433 L CB -1.609 40.426 42.059 -0.039 0.000 0.896 433 L HN -0.233 nan 8.230 nan 0.000 0.432 434 P HA -0.151 nan 4.420 nan 0.000 0.214 434 P C 1.615 178.853 177.300 -0.102 0.000 1.163 434 P CA 2.190 65.221 63.100 -0.115 0.000 0.883 434 P CB -0.213 31.408 31.700 -0.132 0.000 0.788 435 A N -1.145 121.624 122.820 -0.085 0.000 1.902 435 A HA -0.191 4.137 4.320 0.013 0.000 0.217 435 A C 2.247 179.840 177.584 0.016 0.000 1.181 435 A CA 1.882 53.904 52.037 -0.025 0.000 0.623 435 A CB -1.477 17.532 19.000 0.016 0.000 0.818 435 A HN 0.098 nan 8.150 nan 0.000 0.443 436 M N 0.267 119.889 119.600 0.035 0.000 2.117 436 M HA -0.161 4.327 4.480 0.013 0.000 0.262 436 M C 2.572 178.818 176.300 -0.089 0.000 1.065 436 M CA 1.808 57.106 55.300 -0.002 0.000 1.114 436 M CB -0.396 32.184 32.600 -0.033 0.000 1.361 436 M HN 0.674 nan 8.290 nan 0.000 0.408 437 S N 0.221 115.838 115.700 -0.138 0.000 2.383 437 S HA -0.204 4.274 4.470 0.013 0.000 0.229 437 S C 1.609 176.036 174.600 -0.288 0.000 1.030 437 S CA 1.601 59.651 58.200 -0.249 0.000 1.002 437 S CB -0.619 62.411 63.200 -0.284 0.000 0.829 437 S HN 0.535 nan 8.310 nan 0.000 0.467 438 E N 0.818 120.899 120.200 -0.197 0.000 2.204 438 E HA -0.020 4.338 4.350 0.013 0.000 0.194 438 E C 2.412 178.923 176.600 -0.147 0.000 0.989 438 E CA 0.611 56.900 56.400 -0.186 0.000 0.824 438 E CB -0.066 29.560 29.700 -0.122 0.000 0.756 438 E HN 0.572 nan 8.360 nan 0.000 0.477 439 R N -0.024 120.421 120.500 -0.091 0.000 2.115 439 R HA -0.068 4.280 4.340 0.013 0.000 0.230 439 R C 2.238 178.496 176.300 -0.070 0.000 1.111 439 R CA 0.701 56.777 56.100 -0.039 0.000 0.976 439 R CB 0.037 30.354 30.300 0.028 0.000 0.870 439 R HN 0.020 nan 8.270 nan 0.000 0.445 440 V N 0.268 120.098 119.914 -0.140 0.000 2.300 440 V HA -0.193 3.935 4.120 0.013 0.000 0.241 440 V C 2.511 178.429 176.094 -0.293 0.000 1.034 440 V CA 2.186 64.382 62.300 -0.174 0.000 1.021 440 V CB -0.451 31.263 31.823 -0.182 0.000 0.662 440 V HN 0.518 nan 8.190 nan 0.000 0.458 441 T N -0.620 113.632 114.554 -0.504 0.000 2.746 441 T HA -0.250 4.108 4.350 0.013 0.000 0.267 441 T C 1.925 176.456 174.700 -0.283 0.000 1.039 441 T CA 1.486 63.191 62.100 -0.659 0.000 1.142 441 T CB -0.433 67.836 68.868 -0.998 0.000 0.866 441 T HN 0.409 nan 8.240 nan 0.000 0.444 442 R N 0.257 120.618 120.500 -0.232 0.000 2.148 442 R HA 0.203 4.551 4.340 0.013 0.000 0.227 442 R C 2.639 178.855 176.300 -0.141 0.000 1.103 442 R CA 1.330 57.333 56.100 -0.162 0.000 0.983 442 R CB -0.452 29.763 30.300 -0.141 0.000 0.874 442 R HN 0.496 nan 8.270 nan 0.000 0.451 443 M N 0.567 120.090 119.600 -0.129 0.000 2.099 443 M HA -0.125 4.364 4.480 0.013 0.000 0.262 443 M C 1.824 178.031 176.300 -0.155 0.000 1.067 443 M CA 1.620 56.872 55.300 -0.080 0.000 1.124 443 M CB 0.126 32.723 32.600 -0.005 0.000 1.353 443 M HN -0.028 nan 8.290 nan 0.000 0.410 444 V N 1.111 120.822 119.914 -0.338 0.000 2.343 444 V HA -0.276 3.852 4.120 0.013 0.000 0.247 444 V C 2.268 178.245 176.094 -0.195 0.000 1.051 444 V CA 1.941 63.914 62.300 -0.544 0.000 1.036 444 V CB -0.936 30.549 31.823 -0.563 0.000 0.654 444 V HN 0.591 nan 8.190 nan 0.000 0.451 445 Q N -0.563 119.158 119.800 -0.132 0.000 2.170 445 Q HA -0.224 4.124 4.340 0.013 0.000 0.203 445 Q C 2.460 178.366 176.000 -0.157 0.000 0.976 445 Q CA 1.566 57.299 55.803 -0.117 0.000 0.858 445 Q CB -0.184 28.506 28.738 -0.079 0.000 0.907 445 Q HN 0.540 nan 8.270 nan 0.000 0.433 446 R N 0.335 120.737 120.500 -0.164 0.000 2.080 446 R HA -0.090 4.258 4.340 0.013 0.000 0.222 446 R C 0.589 176.809 176.300 -0.133 0.000 1.107 446 R CA 1.314 57.292 56.100 -0.202 0.000 0.980 446 R CB 0.391 30.577 30.300 -0.190 0.000 0.879 446 R HN 0.141 nan 8.270 nan 0.000 0.439 447 D N -0.260 120.129 120.400 -0.018 0.000 2.369 447 D HA -0.008 4.640 4.640 0.013 0.000 0.211 447 D C 1.329 177.735 176.300 0.176 0.000 1.077 447 D CA 0.139 54.177 54.000 0.062 0.000 0.842 447 D CB 0.247 41.037 40.800 -0.017 0.000 0.947 447 D HN 0.359 nan 8.370 nan 0.000 0.509 448 R N 0.552 121.174 120.500 0.204 0.000 2.241 448 R HA 0.006 4.354 4.340 0.013 0.000 0.224 448 R C 0.695 176.993 176.300 -0.003 0.000 1.101 448 R CA 0.892 57.121 56.100 0.214 0.000 0.995 448 R CB -0.246 30.127 30.300 0.122 0.000 0.870 448 R HN -0.082 nan 8.270 nan 0.000 0.463 449 N N 0.226 118.854 118.700 -0.121 0.000 2.280 449 N HA 0.011 4.759 4.740 0.013 0.000 0.192 449 N C -0.564 174.812 175.510 -0.225 0.000 1.109 449 N CA 0.162 53.113 53.050 -0.164 0.000 0.855 449 N CB 0.121 38.491 38.487 -0.195 0.000 0.974 449 N HN 0.268 nan 8.380 nan 0.000 0.482 450 H N 1.436 120.438 119.070 -0.114 0.000 2.819 450 H HA 0.095 4.659 4.556 0.013 0.000 0.303 450 H C -1.191 173.981 175.328 -0.259 0.000 1.058 450 H CA -1.153 54.812 56.048 -0.138 0.000 1.471 450 H CB 1.498 31.205 29.762 -0.092 0.000 1.480 450 H HN 0.062 nan 8.280 nan 0.000 0.517 451 P HA -0.134 nan 4.420 nan 0.000 0.221 451 P C 1.383 178.184 177.300 -0.832 0.000 1.150 451 P CA 0.970 63.702 63.100 -0.614 0.000 0.800 451 P CB 0.289 31.392 31.700 -0.995 0.000 0.787 452 S N -0.754 114.579 115.700 -0.611 0.000 2.419 452 S HA -0.042 4.436 4.470 0.013 0.000 0.233 452 S C 1.120 175.676 174.600 -0.073 0.000 1.016 452 S CA 0.352 58.357 58.200 -0.326 0.000 0.974 452 S CB -1.515 61.678 63.200 -0.013 0.000 0.786 452 S HN -0.062 nan 8.310 nan 0.000 0.492 453 V N 3.717 123.561 119.914 -0.117 0.000 2.446 453 V HA 0.208 4.336 4.120 0.013 0.000 0.276 453 V C 1.097 177.041 176.094 -0.250 0.000 1.030 453 V CA 0.084 62.281 62.300 -0.172 0.000 1.033 453 V CB 0.242 31.863 31.823 -0.338 0.000 0.993 453 V HN 0.638 nan 8.190 nan 0.000 0.477 454 I N 2.594 123.076 120.570 -0.148 0.000 4.187 454 I HA 0.521 4.699 4.170 0.013 0.000 0.326 454 I C 0.368 176.378 176.117 -0.178 0.000 1.302 454 I CA 0.496 61.723 61.300 -0.121 0.000 1.196 454 I CB 0.508 38.515 38.000 0.012 0.000 1.095 454 I HN 0.326 nan 8.210 nan 0.000 0.411 455 I N 0.158 120.599 120.570 -0.216 0.000 2.692 455 I HA 0.349 4.528 4.170 0.013 0.000 0.293 455 I C -1.588 174.441 176.117 -0.146 0.000 1.200 455 I CA -0.366 60.853 61.300 -0.134 0.000 1.036 455 I CB 2.146 40.155 38.000 0.016 0.000 1.258 455 I HN 0.031 nan 8.210 nan 0.000 0.421 456 W N 3.796 125.143 121.300 0.078 0.000 2.512 456 W HA 0.636 5.303 4.660 0.011 0.000 0.335 456 W C 0.375 176.957 176.519 0.104 0.000 1.088 456 W CA -0.623 56.774 57.345 0.086 0.000 1.236 456 W CB 1.748 31.253 29.460 0.076 0.000 1.307 456 W HN 0.312 nan 8.180 nan 0.000 0.567 457 S N 2.416 118.348 115.700 0.387 0.000 2.500 457 S HA 0.389 4.867 4.470 0.013 0.000 0.301 457 S C 0.200 174.964 174.600 0.274 0.000 1.092 457 S CA -0.710 57.665 58.200 0.292 0.000 1.030 457 S CB 0.839 64.168 63.200 0.215 0.000 1.031 457 S HN 0.575 nan 8.310 nan 0.000 0.483 458 L N 4.066 125.437 121.223 0.248 0.000 2.610 458 L HA 0.331 4.679 4.340 0.013 0.000 0.232 458 L C 1.405 178.335 176.870 0.100 0.000 1.149 458 L CA 0.551 55.455 54.840 0.108 0.000 0.872 458 L CB -1.153 40.862 42.059 -0.072 0.000 0.992 458 L HN 0.999 nan 8.230 nan 0.000 0.447 459 G N -0.051 108.896 108.800 0.244 0.000 2.280 459 G HA2 -0.122 3.846 3.960 0.013 0.000 0.277 459 G HA3 -0.122 3.846 3.960 0.013 0.000 0.277 459 G C -1.662 173.437 174.900 0.332 0.000 1.288 459 G CA -0.555 44.698 45.100 0.254 0.000 1.075 459 G HN 0.171 nan 8.290 nan 0.000 0.480 460 N N 0.056 118.889 118.700 0.222 0.000 2.331 460 N HA 0.477 5.225 4.740 0.013 0.000 0.280 460 N C -0.390 175.069 175.510 -0.084 0.000 1.155 460 N CA 0.088 53.119 53.050 -0.032 0.000 0.822 460 N CB 1.641 39.829 38.487 -0.497 0.000 1.619 460 N HN 0.876 nan 8.380 nan 0.000 0.476 461 E N 0.675 120.727 120.200 -0.247 0.000 2.160 461 E HA -0.179 4.179 4.350 0.013 0.000 0.180 461 E C -0.827 175.686 176.600 -0.145 0.000 1.452 461 E CA 0.801 56.983 56.400 -0.362 0.000 0.683 461 E CB -1.304 27.948 29.700 -0.747 0.000 1.072 461 E HN 0.450 nan 8.360 nan 0.000 0.332 462 S N -0.136 115.620 115.700 0.094 0.000 2.941 462 S HA 0.399 4.877 4.470 0.013 0.000 0.251 462 S C 0.618 175.394 174.600 0.293 0.000 1.029 462 S CA -0.167 58.157 58.200 0.207 0.000 1.062 462 S CB 1.425 64.804 63.200 0.298 0.000 0.977 462 S HN 0.842 nan 8.310 nan 0.000 0.552 463 G N 2.007 110.903 108.800 0.159 0.000 2.601 463 G HA2 -0.269 3.699 3.960 0.013 0.000 0.261 463 G HA3 -0.269 3.699 3.960 0.013 0.000 0.261 463 G C -0.502 174.597 174.900 0.331 0.000 1.289 463 G CA -0.098 45.097 45.100 0.160 0.000 0.920 463 G HN 0.666 nan 8.290 nan 0.000 0.571 464 H N 0.281 119.466 119.070 0.190 0.000 2.800 464 H HA 0.569 5.133 4.556 0.013 0.000 0.322 464 H C 0.353 175.850 175.328 0.281 0.000 0.979 464 H CA -0.221 55.981 56.048 0.257 0.000 1.277 464 H CB 0.633 30.475 29.762 0.133 0.000 1.484 464 H HN 1.008 nan 8.280 nan 0.000 0.512 465 G N 1.578 110.612 108.800 0.391 0.000 2.537 465 G HA2 0.446 4.414 3.960 0.013 0.000 0.308 465 G HA3 0.446 4.414 3.960 0.013 0.000 0.308 465 G C 0.604 175.469 174.900 -0.057 0.000 1.237 465 G CA -0.165 44.947 45.100 0.020 0.000 0.968 465 G HN 0.695 nan 8.290 nan 0.000 0.481 466 A N 0.575 123.337 122.820 -0.097 0.000 2.024 466 A HA -0.103 4.225 4.320 0.013 0.000 0.220 466 A C 2.138 179.716 177.584 -0.009 0.000 1.164 466 A CA 1.863 53.872 52.037 -0.047 0.000 0.643 466 A CB -0.421 18.558 19.000 -0.034 0.000 0.806 466 A HN 0.544 nan 8.150 nan 0.000 0.451 467 N N -0.220 118.438 118.700 -0.070 0.000 2.205 467 N HA -0.153 4.595 4.740 0.013 0.000 0.186 467 N C 1.357 176.814 175.510 -0.089 0.000 1.015 467 N CA 1.720 54.707 53.050 -0.105 0.000 0.862 467 N CB -0.674 37.708 38.487 -0.175 0.000 0.986 467 N HN 0.793 nan 8.380 nan 0.000 0.429 468 H N 0.182 119.258 119.070 0.010 0.000 2.389 468 H HA -0.010 4.554 4.556 0.014 0.000 0.299 468 H C 1.215 176.616 175.328 0.122 0.000 1.081 468 H CA 1.166 57.221 56.048 0.012 0.000 1.345 468 H CB 0.186 29.972 29.762 0.041 0.000 1.393 468 H HN 0.193 nan 8.280 nan 0.000 0.520 469 D N 0.364 120.936 120.400 0.287 0.000 2.144 469 D HA -0.106 4.542 4.640 0.013 0.000 0.200 469 D C 2.293 178.745 176.300 0.253 0.000 0.978 469 D CA 1.098 55.256 54.000 0.263 0.000 0.833 469 D CB -0.313 40.608 40.800 0.202 0.000 0.961 469 D HN 0.421 nan 8.370 nan 0.000 0.470 470 A N 0.901 123.820 122.820 0.165 0.000 1.902 470 A HA -0.118 4.210 4.320 0.013 0.000 0.217 470 A C 2.410 180.101 177.584 0.179 0.000 1.181 470 A CA 0.936 53.059 52.037 0.142 0.000 0.623 470 A CB -0.757 18.284 19.000 0.069 0.000 0.818 470 A HN 0.190 nan 8.150 nan 0.000 0.443 471 L N -2.146 119.167 121.223 0.150 0.000 2.109 471 L HA -0.148 4.200 4.340 0.013 0.000 0.207 471 L C 2.573 179.580 176.870 0.229 0.000 1.086 471 L CA 1.563 56.490 54.840 0.146 0.000 0.760 471 L CB -0.740 41.335 42.059 0.027 0.000 0.910 471 L HN 0.592 nan 8.230 nan 0.000 0.437 472 Y N 1.340 121.720 120.300 0.133 0.000 2.128 472 Y HA -0.346 4.210 4.550 0.010 0.000 0.284 472 Y C 2.841 178.818 175.900 0.129 0.000 1.154 472 Y CA 1.870 60.050 58.100 0.132 0.000 1.149 472 Y CB -0.184 38.354 38.460 0.130 0.000 0.976 472 Y HN -0.035 nan 8.280 nan 0.000 0.505 473 R N -0.242 120.381 120.500 0.204 0.000 2.081 473 R HA -0.217 4.131 4.340 0.013 0.000 0.235 473 R C 2.073 178.377 176.300 0.006 0.000 1.131 473 R CA 2.014 58.154 56.100 0.067 0.000 0.960 473 R CB -1.369 29.043 30.300 0.186 0.000 0.856 473 R HN 0.653 nan 8.270 nan 0.000 0.436 474 W N 0.504 121.760 121.300 -0.074 0.000 2.335 474 W HA -0.158 4.510 4.660 0.014 0.000 0.311 474 W C 1.643 178.067 176.519 -0.159 0.000 1.213 474 W CA 2.049 59.335 57.345 -0.097 0.000 1.274 474 W CB -0.279 29.130 29.460 -0.087 0.000 1.148 474 W HN 0.085 nan 8.180 nan 0.000 0.498 475 I N 0.794 121.368 120.570 0.007 0.000 2.179 475 I HA -0.350 3.828 4.170 0.013 0.000 0.242 475 I C 2.441 178.351 176.117 -0.345 0.000 1.088 475 I CA 1.334 62.475 61.300 -0.264 0.000 1.357 475 I CB -0.751 37.154 38.000 -0.159 0.000 1.051 475 I HN -0.113 nan 8.210 nan 0.000 0.409 476 K N 0.806 121.006 120.400 -0.333 0.000 2.103 476 K HA -0.111 4.217 4.320 0.013 0.000 0.207 476 K C 2.253 178.708 176.600 -0.241 0.000 1.048 476 K CA 1.436 57.548 56.287 -0.292 0.000 0.930 476 K CB -0.545 31.744 32.500 -0.352 0.000 0.716 476 K HN 0.292 nan 8.250 nan 0.000 0.444 477 S N 0.817 116.343 115.700 -0.289 0.000 2.357 477 S HA -0.066 4.412 4.470 0.013 0.000 0.221 477 S C 2.226 176.613 174.600 -0.355 0.000 1.031 477 S CA 1.042 59.075 58.200 -0.279 0.000 0.982 477 S CB -0.214 62.823 63.200 -0.271 0.000 0.853 477 S HN 0.004 nan 8.310 nan 0.000 0.458 478 V N 1.254 120.815 119.914 -0.589 0.000 2.548 478 V HA 0.013 4.141 4.120 0.013 0.000 0.249 478 V C 0.455 176.314 176.094 -0.393 0.000 1.055 478 V CA 1.249 63.178 62.300 -0.618 0.000 1.065 478 V CB -0.272 30.840 31.823 -1.184 0.000 0.681 478 V HN 0.388 nan 8.190 nan 0.000 0.462 479 D N -0.949 119.271 120.400 -0.299 0.000 2.381 479 D HA 0.236 4.884 4.640 0.013 0.000 0.245 479 D C -2.234 174.047 176.300 -0.032 0.000 1.297 479 D CA -1.538 52.396 54.000 -0.110 0.000 0.931 479 D CB 1.603 42.419 40.800 0.026 0.000 1.334 479 D HN 0.103 nan 8.370 nan 0.000 0.535 480 P HA -0.001 nan 4.420 nan 0.000 0.245 480 P C 1.077 178.392 177.300 0.024 0.000 1.212 480 P CA 0.328 63.417 63.100 -0.018 0.000 0.774 480 P CB 0.122 31.806 31.700 -0.026 0.000 0.999 481 S N -1.165 114.559 115.700 0.039 0.000 2.522 481 S HA 0.059 4.537 4.470 0.013 0.000 0.227 481 S C 0.881 175.504 174.600 0.039 0.000 0.986 481 S CA -0.068 58.159 58.200 0.045 0.000 0.929 481 S CB -0.377 62.844 63.200 0.034 0.000 0.769 481 S HN 0.077 nan 8.310 nan 0.000 0.529 482 R N 0.950 121.485 120.500 0.059 0.000 2.673 482 R HA 0.535 4.883 4.340 0.013 0.000 0.281 482 R C -3.236 173.115 176.300 0.085 0.000 0.991 482 R CA -2.246 53.862 56.100 0.012 0.000 0.896 482 R CB 1.475 31.679 30.300 -0.160 0.000 1.201 482 R HN 0.123 nan 8.270 nan 0.000 0.457 483 P HA 0.062 nan 4.420 nan 0.000 0.270 483 P C -0.865 176.542 177.300 0.178 0.000 1.223 483 P CA -0.314 62.850 63.100 0.107 0.000 0.785 483 P CB 0.655 32.403 31.700 0.080 0.000 0.923 484 V N 2.612 122.661 119.914 0.225 0.000 2.495 484 V HA 0.386 4.515 4.120 0.013 0.000 0.298 484 V C 0.215 176.491 176.094 0.304 0.000 1.031 484 V CA -0.319 62.161 62.300 0.300 0.000 0.871 484 V CB 1.249 33.233 31.823 0.268 0.000 0.988 484 V HN 0.601 nan 8.190 nan 0.000 0.432 485 Q N 3.765 123.723 119.800 0.262 0.000 2.416 485 Q HA 0.828 5.176 4.340 0.013 0.000 0.279 485 Q C -1.772 174.381 176.000 0.256 0.000 1.101 485 Q CA -0.935 54.986 55.803 0.198 0.000 0.830 485 Q CB 3.002 31.805 28.738 0.109 0.000 1.402 485 Q HN 0.631 nan 8.270 nan 0.000 0.445 486 Y N -0.199 120.096 120.300 -0.007 0.000 2.393 486 Y HA 0.126 4.683 4.550 0.012 0.000 0.320 486 Y C -0.745 175.078 175.900 -0.128 0.000 1.241 486 Y CA -0.747 57.316 58.100 -0.062 0.000 1.122 486 Y CB 1.857 40.261 38.460 -0.094 0.000 1.322 486 Y HN 0.948 nan 8.280 nan 0.000 0.441 487 E N 3.348 123.047 120.200 -0.835 0.000 2.400 487 E HA 0.153 4.511 4.350 0.013 0.000 0.195 487 E C 0.656 176.793 176.600 -0.772 0.000 1.012 487 E CA 0.697 56.718 56.400 -0.631 0.000 0.875 487 E CB 0.301 29.757 29.700 -0.406 0.000 0.859 487 E HN 0.890 nan 8.360 nan 0.000 0.498 488 G N -0.083 107.816 108.800 -1.501 0.000 2.474 488 G HA2 0.228 4.196 3.960 0.013 0.000 0.233 488 G HA3 0.228 4.196 3.960 0.013 0.000 0.233 488 G C 0.821 175.531 174.900 -0.316 0.000 1.278 488 G CA 0.286 44.925 45.100 -0.768 0.000 0.861 488 G HN 0.330 nan 8.290 nan 0.000 0.567 489 G N -0.473 108.268 108.800 -0.098 0.000 2.153 489 G HA2 0.227 4.195 3.960 0.013 0.000 0.252 489 G HA3 0.227 4.195 3.960 0.013 0.000 0.252 489 G C 1.258 176.165 174.900 0.011 0.000 0.994 489 G CA 0.997 46.115 45.100 0.031 0.000 0.698 489 G HN 2.630 nan 8.290 nan 0.000 0.521 490 G N -1.544 107.246 108.800 -0.018 0.000 2.205 490 G HA2 0.447 4.415 3.960 0.013 0.000 0.180 490 G HA3 0.447 4.415 3.960 0.013 0.000 0.180 490 G C 1.020 176.028 174.900 0.180 0.000 1.004 490 G CA 1.258 46.417 45.100 0.099 0.000 0.670 490 G HN 2.342 nan 8.290 nan 0.000 0.496 491 A N -0.270 122.535 122.820 -0.026 0.000 3.396 491 A HA -0.114 4.214 4.320 0.013 0.000 0.267 491 A C 1.077 178.583 177.584 -0.129 0.000 1.139 491 A CA 2.631 54.595 52.037 -0.121 0.000 1.115 491 A CB -1.746 17.154 19.000 -0.168 0.000 1.133 491 A HN 2.122 nan 8.150 nan 0.000 0.920 492 D N -0.949 119.461 120.400 0.016 0.000 2.785 492 D HA 0.321 4.969 4.640 0.013 0.000 0.324 492 D C 0.339 176.643 176.300 0.006 0.000 1.523 492 D CA 0.805 54.824 54.000 0.031 0.000 0.789 492 D CB -1.147 39.814 40.800 0.268 0.000 1.171 492 D HN 0.832 nan 8.370 nan 0.000 0.447 493 T N -2.529 111.960 114.554 -0.109 0.000 2.732 493 T HA 0.232 4.590 4.350 0.013 0.000 0.287 493 T C 1.610 176.189 174.700 -0.202 0.000 0.993 493 T CA 0.372 62.352 62.100 -0.201 0.000 0.966 493 T CB 0.938 69.420 68.868 -0.642 0.000 1.047 493 T HN 0.077 nan 8.240 nan 0.000 0.527 494 T N -2.278 112.178 114.554 -0.164 0.000 3.155 494 T HA 0.167 4.526 4.350 0.013 0.000 0.264 494 T C 1.523 175.973 174.700 -0.418 0.000 1.160 494 T CA 0.341 62.339 62.100 -0.170 0.000 1.075 494 T CB -0.497 68.359 68.868 -0.020 0.000 0.921 494 T HN 0.839 nan 8.240 nan 0.000 0.533 495 A N 0.447 123.023 122.820 -0.408 0.000 2.460 495 A HA 0.518 4.846 4.320 0.013 0.000 0.258 495 A C 0.789 178.200 177.584 -0.287 0.000 1.300 495 A CA -0.311 51.459 52.037 -0.445 0.000 0.913 495 A CB 0.058 19.020 19.000 -0.064 0.000 1.031 495 A HN 0.415 nan 8.150 nan 0.000 0.512 496 T N -1.454 112.930 114.554 -0.283 0.000 2.993 496 T HA 0.355 4.713 4.350 0.013 0.000 0.312 496 T C -0.682 174.030 174.700 0.019 0.000 1.115 496 T CA -0.432 61.658 62.100 -0.017 0.000 1.027 496 T CB 1.246 70.095 68.868 -0.032 0.000 1.116 496 T HN 0.073 nan 8.240 nan 0.000 0.464 497 D N 2.863 123.362 120.400 0.164 0.000 2.348 497 D HA 0.267 4.915 4.640 0.013 0.000 0.211 497 D C 0.382 176.712 176.300 0.051 0.000 0.998 497 D CA 0.718 54.800 54.000 0.137 0.000 0.873 497 D CB 0.376 41.291 40.800 0.192 0.000 0.925 497 D HN 0.547 nan 8.370 nan 0.000 0.524 498 I N 0.957 121.539 120.570 0.019 0.000 2.545 498 I HA 0.257 4.435 4.170 0.013 0.000 0.292 498 I C -0.180 175.872 176.117 -0.109 0.000 1.040 498 I CA -0.915 60.363 61.300 -0.037 0.000 1.068 498 I CB 2.755 40.746 38.000 -0.016 0.000 1.251 498 I HN -0.354 nan 8.210 nan 0.000 0.424 499 I N 5.766 126.226 120.570 -0.183 0.000 2.505 499 I HA 0.047 4.225 4.170 0.013 0.000 0.287 499 I C 0.208 176.111 176.117 -0.357 0.000 1.104 499 I CA 0.035 61.126 61.300 -0.348 0.000 1.387 499 I CB 0.181 37.863 38.000 -0.530 0.000 1.404 499 I HN 0.676 nan 8.210 nan 0.000 0.528 500 C N 5.635 124.738 119.300 -0.330 0.000 3.401 500 C HA 0.478 4.947 4.460 0.013 0.000 0.204 500 C C -2.211 172.637 174.990 -0.236 0.000 1.522 500 C CA -2.274 56.605 59.018 -0.230 0.000 1.409 500 C CB -0.885 26.781 27.740 -0.124 0.000 1.967 500 C HN 0.408 nan 8.230 nan 0.000 0.496 501 P HA 0.314 nan 4.420 nan 0.000 0.273 501 P C -0.423 176.817 177.300 -0.100 0.000 1.250 501 P CA 0.287 63.273 63.100 -0.189 0.000 0.793 501 P CB 0.708 32.307 31.700 -0.167 0.000 1.011 502 M N -0.049 119.521 119.600 -0.050 0.000 2.125 502 M HA 0.455 4.943 4.480 0.013 0.000 0.321 502 M C -0.858 175.445 176.300 0.006 0.000 0.983 502 M CA -0.650 54.522 55.300 -0.215 0.000 0.934 502 M CB 1.111 33.567 32.600 -0.240 0.000 1.542 502 M HN 0.330 nan 8.290 nan 0.000 0.424 503 Y N -0.205 120.269 120.300 0.290 0.000 4.490 503 Y HA -0.214 4.345 4.550 0.014 0.000 0.233 503 Y C 0.536 176.617 175.900 0.302 0.000 1.101 503 Y CA 0.404 58.683 58.100 0.298 0.000 2.010 503 Y CB -2.203 36.410 38.460 0.255 0.000 1.622 503 Y HN 0.982 nan 8.280 nan 0.000 0.675 504 A N 1.231 124.273 122.820 0.371 0.000 2.477 504 A HA 0.560 4.888 4.320 0.013 0.000 0.246 504 A C 0.727 178.538 177.584 0.378 0.000 1.078 504 A CA -0.378 51.882 52.037 0.371 0.000 0.770 504 A CB 0.383 19.646 19.000 0.438 0.000 1.011 504 A HN 0.417 nan 8.150 nan 0.000 0.494 505 R N 1.485 122.133 120.500 0.247 0.000 2.546 505 R HA 0.348 4.696 4.340 0.013 0.000 0.266 505 R C 1.008 177.275 176.300 -0.056 0.000 1.086 505 R CA -0.767 55.404 56.100 0.119 0.000 1.160 505 R CB 0.595 30.934 30.300 0.065 0.000 1.138 505 R HN 0.478 nan 8.270 nan 0.000 0.567 506 V N 0.661 120.385 119.914 -0.318 0.000 2.244 506 V HA -0.209 3.919 4.120 0.013 0.000 0.244 506 V C 0.989 176.963 176.094 -0.199 0.000 1.042 506 V CA 1.883 63.955 62.300 -0.380 0.000 1.006 506 V CB -0.253 31.212 31.823 -0.597 0.000 0.641 506 V HN 0.741 nan 8.190 nan 0.000 0.446 507 D N -1.442 118.874 120.400 -0.141 0.000 2.454 507 D HA 0.103 4.751 4.640 0.013 0.000 0.214 507 D C 0.897 177.179 176.300 -0.030 0.000 1.088 507 D CA 0.078 54.032 54.000 -0.076 0.000 0.855 507 D CB 0.641 41.401 40.800 -0.067 0.000 1.025 507 D HN 0.481 nan 8.370 nan 0.000 0.502 508 E N 1.828 122.015 120.200 -0.022 0.000 2.167 508 E HA 0.111 4.469 4.350 0.013 0.000 0.284 508 E C -0.835 175.764 176.600 -0.001 0.000 1.016 508 E CA -0.588 55.807 56.400 -0.007 0.000 0.817 508 E CB 0.914 30.612 29.700 -0.004 0.000 1.080 508 E HN -0.180 nan 8.360 nan 0.000 0.397 509 D N 3.510 123.912 120.400 0.003 0.000 2.313 509 D HA 0.135 4.783 4.640 0.013 0.000 0.247 509 D C -0.565 175.631 176.300 -0.173 0.000 1.094 509 D CA 0.198 54.196 54.000 -0.004 0.000 0.925 509 D CB 1.123 41.997 40.800 0.122 0.000 1.188 509 D HN 0.406 nan 8.370 nan 0.000 0.430 510 Q N 1.453 121.021 119.800 -0.386 0.000 2.771 510 Q HA 0.242 4.590 4.340 0.013 0.000 0.247 510 Q C -2.256 173.104 176.000 -1.067 0.000 0.986 510 Q CA -1.491 53.877 55.803 -0.725 0.000 0.713 510 Q CB 2.487 30.757 28.738 -0.780 0.000 1.241 510 Q HN 0.186 nan 8.270 nan 0.000 0.488 511 P HA 0.028 nan 4.420 nan 0.000 0.220 511 P C -0.638 176.360 177.300 -0.504 0.000 1.806 511 P CA -0.103 62.575 63.100 -0.704 0.000 0.976 511 P CB -0.560 30.953 31.700 -0.313 0.000 1.952 512 F N 1.997 121.774 119.950 -0.289 0.000 2.553 512 F HA 0.143 4.677 4.527 0.013 0.000 0.356 512 F C -1.189 174.506 175.800 -0.175 0.000 1.142 512 F CA -2.249 55.642 58.000 -0.183 0.000 1.322 512 F CB -0.588 38.321 39.000 -0.152 0.000 1.126 512 F HN 0.067 nan 8.300 nan 0.000 0.599 513 P HA 0.109 nan 4.420 nan 0.000 0.268 513 P C 0.281 177.601 177.300 0.033 0.000 1.205 513 P CA 1.012 64.134 63.100 0.038 0.000 0.771 513 P CB 1.139 32.859 31.700 0.033 0.000 0.858 514 A N 2.778 125.610 122.820 0.020 0.000 2.617 514 A HA -0.247 4.081 4.320 0.013 0.000 0.236 514 A C 0.740 178.336 177.584 0.020 0.000 0.551 514 A CA 2.012 54.064 52.037 0.026 0.000 1.144 514 A CB -2.683 16.331 19.000 0.023 0.000 1.384 514 A HN 0.712 nan 8.150 nan 0.000 0.694 515 V N -2.979 116.941 119.914 0.011 0.000 2.468 515 V HA 0.562 4.690 4.120 0.013 0.000 0.256 515 V C -2.355 173.730 176.094 -0.016 0.000 0.998 515 V CA -1.266 61.039 62.300 0.009 0.000 1.114 515 V CB 0.602 32.433 31.823 0.014 0.000 1.378 515 V HN 0.495 nan 8.190 nan 0.000 0.573 516 P HA 0.244 nan 4.420 nan 0.000 0.269 516 P C -0.610 176.254 177.300 -0.727 0.000 1.215 516 P CA 0.168 62.876 63.100 -0.653 0.000 0.780 516 P CB 0.963 31.783 31.700 -1.467 0.000 0.898 517 K N 2.274 122.292 120.400 -0.636 0.000 2.419 517 K HA 0.203 4.531 4.320 0.013 0.000 0.244 517 K C -0.412 175.907 176.600 -0.468 0.000 1.045 517 K CA -0.261 55.860 56.287 -0.277 0.000 1.004 517 K CB 0.381 32.969 32.500 0.147 0.000 1.376 517 K HN 0.477 nan 8.250 nan 0.000 0.460 518 W N 1.395 122.378 121.300 -0.527 0.000 2.126 518 W HA 0.031 4.700 4.660 0.016 0.000 0.346 518 W C 1.360 177.879 176.519 0.000 0.000 1.279 518 W CA -0.446 56.677 57.345 -0.369 0.000 1.259 518 W CB 0.505 29.559 29.460 -0.676 0.000 1.133 518 W HN 0.376 nan 8.180 nan 0.000 0.592 519 S N 3.383 119.227 115.700 0.241 0.000 2.558 519 S HA -0.097 4.381 4.470 0.013 0.000 0.293 519 S C 1.191 175.933 174.600 0.237 0.000 1.292 519 S CA -0.102 58.187 58.200 0.148 0.000 1.063 519 S CB 0.166 63.407 63.200 0.067 0.000 0.831 519 S HN 0.509 nan 8.310 nan 0.000 0.499 520 I N 2.185 122.862 120.570 0.177 0.000 2.361 520 I HA -0.129 4.049 4.170 0.013 0.000 0.251 520 I C 2.020 178.159 176.117 0.038 0.000 1.133 520 I CA 1.228 62.639 61.300 0.184 0.000 1.413 520 I CB -0.397 37.657 38.000 0.091 0.000 1.073 520 I HN 0.592 nan 8.210 nan 0.000 0.424 521 K N 1.561 121.877 120.400 -0.140 0.000 2.097 521 K HA -0.150 4.178 4.320 0.013 0.000 0.205 521 K C 2.300 178.879 176.600 -0.034 0.000 1.050 521 K CA 1.578 57.686 56.287 -0.300 0.000 0.938 521 K CB -0.195 32.056 32.500 -0.414 0.000 0.718 521 K HN 0.363 nan 8.250 nan 0.000 0.442 522 K N 0.155 120.565 120.400 0.017 0.000 2.097 522 K HA -0.175 4.153 4.320 0.013 0.000 0.205 522 K C 1.873 178.494 176.600 0.035 0.000 1.050 522 K CA 0.906 57.193 56.287 -0.001 0.000 0.938 522 K CB -0.069 32.401 32.500 -0.050 0.000 0.718 522 K HN 0.227 nan 8.250 nan 0.000 0.442 523 W N 2.134 123.424 121.300 -0.017 0.000 2.335 523 W HA -0.196 4.469 4.660 0.009 0.000 0.311 523 W C 1.693 178.201 176.519 -0.019 0.000 1.213 523 W CA 1.138 58.491 57.345 0.015 0.000 1.274 523 W CB -0.724 28.813 29.460 0.128 0.000 1.148 523 W HN 0.081 nan 8.180 nan 0.000 0.498 524 L N 0.848 122.239 121.223 0.279 0.000 2.081 524 L HA -0.275 4.073 4.340 0.013 0.000 0.212 524 L C 2.246 179.188 176.870 0.120 0.000 1.080 524 L CA 2.111 57.047 54.840 0.161 0.000 0.754 524 L CB -0.998 41.139 42.059 0.129 0.000 0.893 524 L HN -0.004 nan 8.230 nan 0.000 0.433 525 S N -1.488 114.264 115.700 0.087 0.000 2.572 525 S HA 0.252 4.730 4.470 0.013 0.000 0.228 525 S C 0.586 175.178 174.600 -0.014 0.000 0.963 525 S CA -0.526 57.697 58.200 0.038 0.000 0.939 525 S CB -0.424 62.796 63.200 0.034 0.000 0.804 525 S HN 0.155 nan 8.310 nan 0.000 0.480 526 L N 2.020 123.225 121.223 -0.030 0.000 2.529 526 L HA 0.188 4.536 4.340 0.013 0.000 0.287 526 L C -2.207 174.634 176.870 -0.048 0.000 1.241 526 L CA -1.576 53.200 54.840 -0.107 0.000 0.857 526 L CB -0.349 41.627 42.059 -0.137 0.000 1.113 526 L HN 0.021 nan 8.230 nan 0.000 0.504 527 P HA -0.036 nan 4.420 nan 0.000 0.261 527 P C 0.753 178.048 177.300 -0.008 0.000 1.173 527 P CA 1.123 64.201 63.100 -0.036 0.000 0.760 527 P CB 0.557 32.230 31.700 -0.045 0.000 0.783 528 G N 1.671 110.473 108.800 0.003 0.000 2.245 528 G HA2 -0.289 3.679 3.960 0.013 0.000 0.264 528 G HA3 -0.289 3.679 3.960 0.013 0.000 0.264 528 G C 0.317 175.235 174.900 0.031 0.000 0.985 528 G CA 0.288 45.398 45.100 0.017 0.000 0.625 528 G HN 0.620 nan 8.290 nan 0.000 0.536 529 E N 0.895 121.119 120.200 0.040 0.000 2.331 529 E HA 0.610 4.968 4.350 0.013 0.000 0.272 529 E C 1.330 177.958 176.600 0.047 0.000 1.036 529 E CA 0.629 57.066 56.400 0.061 0.000 0.864 529 E CB 0.858 30.620 29.700 0.104 0.000 1.035 529 E HN 0.555 nan 8.360 nan 0.000 0.408 530 T N 0.396 114.974 114.554 0.041 0.000 3.130 530 T HA 0.333 4.691 4.350 0.013 0.000 0.288 530 T C 0.536 175.249 174.700 0.021 0.000 0.936 530 T CA -0.471 61.647 62.100 0.030 0.000 0.897 530 T CB 0.055 68.939 68.868 0.027 0.000 1.178 530 T HN 0.260 nan 8.240 nan 0.000 0.543 531 R N 2.294 122.803 120.500 0.014 0.000 2.707 531 R HA 0.460 4.808 4.340 0.013 0.000 0.270 531 R C -2.507 173.777 176.300 -0.026 0.000 1.083 531 R CA -1.739 54.358 56.100 -0.005 0.000 1.182 531 R CB 0.076 30.366 30.300 -0.018 0.000 1.084 531 R HN 0.238 nan 8.270 nan 0.000 0.528 532 P HA 0.115 nan 4.420 nan 0.000 0.276 532 P C -1.107 176.129 177.300 -0.107 0.000 1.252 532 P CA -0.171 62.892 63.100 -0.061 0.000 0.802 532 P CB 0.697 32.361 31.700 -0.060 0.000 1.035 533 L N 2.173 123.315 121.223 -0.136 0.000 2.376 533 L HA 0.573 4.921 4.340 0.013 0.000 0.275 533 L C -1.074 175.662 176.870 -0.224 0.000 0.987 533 L CA -0.627 54.094 54.840 -0.199 0.000 0.828 533 L CB 0.695 42.635 42.059 -0.198 0.000 1.249 533 L HN 0.228 nan 8.230 nan 0.000 0.409 534 I N 5.638 126.081 120.570 -0.211 0.000 2.468 534 I HA 0.268 4.446 4.170 0.013 0.000 0.285 534 I C -0.766 175.265 176.117 -0.142 0.000 1.039 534 I CA -0.558 60.603 61.300 -0.230 0.000 1.074 534 I CB 1.953 39.875 38.000 -0.131 0.000 1.228 534 I HN 0.465 nan 8.210 nan 0.000 0.436 535 L N 5.622 126.737 121.223 -0.179 0.000 2.455 535 L HA 0.045 4.393 4.340 0.013 0.000 0.272 535 L C 1.495 178.455 176.870 0.150 0.000 1.174 535 L CA -0.134 54.671 54.840 -0.059 0.000 0.869 535 L CB 0.620 42.636 42.059 -0.072 0.000 1.130 535 L HN 0.853 nan 8.230 nan 0.000 0.474 536 C N 0.066 119.423 119.300 0.096 0.000 2.446 536 C HA 0.144 4.612 4.460 0.013 0.000 0.279 536 C C 0.632 175.762 174.990 0.232 0.000 1.366 536 C CA -0.100 59.011 59.018 0.154 0.000 1.763 536 C CB -1.030 26.712 27.740 0.004 0.000 1.929 536 C HN 0.832 nan 8.230 nan 0.000 0.509 537 E N -1.030 119.235 120.200 0.108 0.000 2.352 537 E HA 0.632 4.990 4.350 0.013 0.000 0.280 537 E C -1.408 175.149 176.600 -0.072 0.000 0.930 537 E CA -0.466 55.999 56.400 0.109 0.000 0.765 537 E CB 2.098 31.697 29.700 -0.169 0.000 1.219 537 E HN 0.670 nan 8.360 nan 0.000 0.434 538 Y N -1.595 118.694 120.300 -0.019 0.000 2.750 538 Y HA 0.615 5.174 4.550 0.015 0.000 0.335 538 Y C -0.783 175.306 175.900 0.315 0.000 1.252 538 Y CA -0.897 57.208 58.100 0.009 0.000 1.064 538 Y CB 0.804 39.101 38.460 -0.271 0.000 1.321 538 Y HN 0.683 nan 8.280 nan 0.000 0.451 539 A N 1.812 124.722 122.820 0.150 0.000 2.303 539 A HA -0.266 4.062 4.320 0.013 0.000 0.286 539 A C -0.378 177.343 177.584 0.229 0.000 1.429 539 A CA 1.099 53.210 52.037 0.124 0.000 0.738 539 A CB -2.449 16.524 19.000 -0.045 0.000 1.149 539 A HN 1.093 nan 8.150 nan 0.000 0.364 540 H N 0.752 119.996 119.070 0.289 0.000 3.191 540 H HA 0.292 4.856 4.556 0.013 0.000 0.261 540 H C 1.036 176.446 175.328 0.137 0.000 1.013 540 H CA 0.827 57.065 56.048 0.316 0.000 1.457 540 H CB 0.482 30.307 29.762 0.105 0.000 1.535 540 H HN 0.786 nan 8.280 nan 0.000 0.518 541 A N 6.653 129.383 122.820 -0.151 0.000 2.929 541 A HA 0.074 4.402 4.320 0.013 0.000 0.279 541 A C 0.884 178.334 177.584 -0.223 0.000 1.418 541 A CA -0.458 51.472 52.037 -0.177 0.000 1.035 541 A CB -0.612 18.266 19.000 -0.203 0.000 1.047 541 A HN 0.812 nan 8.150 nan 0.000 0.609 542 M N 1.546 121.001 119.600 -0.241 0.000 2.266 542 M HA 0.421 4.909 4.480 0.013 0.000 0.340 542 M C 1.066 177.210 176.300 -0.261 0.000 1.486 542 M CA 1.277 56.439 55.300 -0.230 0.000 1.209 542 M CB -0.375 32.144 32.600 -0.135 0.000 1.714 542 M HN 0.817 nan 8.290 nan 0.000 0.459 543 G N 4.327 112.950 108.800 -0.295 0.000 2.583 543 G HA2 -0.354 3.614 3.960 0.013 0.000 0.292 543 G HA3 -0.354 3.614 3.960 0.013 0.000 0.292 543 G C -0.158 174.220 174.900 -0.870 0.000 1.203 543 G CA 0.158 44.896 45.100 -0.603 0.000 0.987 543 G HN 0.825 nan 8.290 nan 0.000 0.554 544 N N 1.355 119.389 118.700 -1.110 0.000 2.448 544 N HA 0.521 5.269 4.740 0.013 0.000 0.250 544 N C -0.075 175.180 175.510 -0.425 0.000 1.136 544 N CA 1.044 53.605 53.050 -0.815 0.000 0.953 544 N CB 0.584 38.617 38.487 -0.758 0.000 1.251 544 N HN 0.787 nan 8.380 nan 0.000 0.502 545 S N 2.120 117.659 115.700 -0.268 0.000 2.903 545 S HA 0.624 5.102 4.470 0.013 0.000 0.314 545 S C -0.115 174.422 174.600 -0.104 0.000 1.177 545 S CA -0.369 57.731 58.200 -0.167 0.000 0.859 545 S CB 0.221 63.340 63.200 -0.134 0.000 1.265 545 S HN 0.398 nan 8.310 nan 0.000 0.584 546 L N 0.088 121.281 121.223 -0.050 0.000 4.793 546 L HA -0.060 4.288 4.340 0.013 0.000 0.404 546 L C 0.543 177.456 176.870 0.072 0.000 1.022 546 L CA 0.870 55.703 54.840 -0.011 0.000 1.242 546 L CB -1.742 40.217 42.059 -0.166 0.000 2.049 546 L HN 0.733 nan 8.230 nan 0.000 0.637 547 G N -0.790 108.023 108.800 0.022 0.000 2.365 547 G HA2 0.466 4.434 3.960 0.013 0.000 0.249 547 G HA3 0.466 4.434 3.960 0.013 0.000 0.249 547 G C 1.242 176.200 174.900 0.096 0.000 1.288 547 G CA 0.203 45.300 45.100 -0.005 0.000 0.887 547 G HN 1.367 nan 8.290 nan 0.000 0.524 548 G N 1.666 110.517 108.800 0.084 0.000 2.176 548 G HA2 -0.319 3.649 3.960 0.013 0.000 0.253 548 G HA3 -0.319 3.649 3.960 0.013 0.000 0.253 548 G C 1.026 176.127 174.900 0.335 0.000 0.979 548 G CA 0.762 45.971 45.100 0.181 0.000 0.641 548 G HN 0.770 nan 8.290 nan 0.000 0.530 549 F N 1.946 122.028 119.950 0.221 0.000 2.126 549 F HA 0.126 4.662 4.527 0.015 0.000 0.299 549 F C 2.714 178.735 175.800 0.367 0.000 1.096 549 F CA 2.545 60.749 58.000 0.340 0.000 1.255 549 F CB -0.502 38.636 39.000 0.230 0.000 0.997 549 F HN 0.353 nan 8.300 nan 0.000 0.479 550 A N -0.334 122.665 122.820 0.298 0.000 2.024 550 A HA -0.259 4.069 4.320 0.013 0.000 0.220 550 A C 2.296 179.904 177.584 0.040 0.000 1.164 550 A CA 1.821 53.958 52.037 0.167 0.000 0.643 550 A CB -0.846 18.257 19.000 0.172 0.000 0.806 550 A HN 0.471 nan 8.150 nan 0.000 0.451 551 K N -1.594 118.812 120.400 0.009 0.000 2.097 551 K HA -0.176 4.152 4.320 0.013 0.000 0.206 551 K C 1.713 178.081 176.600 -0.387 0.000 1.049 551 K CA 1.619 57.821 56.287 -0.142 0.000 0.933 551 K CB -0.312 32.113 32.500 -0.126 0.000 0.717 551 K HN 0.581 nan 8.250 nan 0.000 0.442 552 Y N -0.718 119.305 120.300 -0.462 0.000 2.114 552 Y HA -0.257 4.301 4.550 0.012 0.000 0.284 552 Y C 2.052 176.971 175.900 -1.635 0.000 1.143 552 Y CA 1.654 59.101 58.100 -1.089 0.000 1.135 552 Y CB -0.368 37.449 38.460 -1.070 0.000 0.980 552 Y HN 0.178 nan 8.280 nan 0.000 0.499 553 W N 0.024 120.896 121.300 -0.713 0.000 2.358 553 W HA -0.217 4.453 4.660 0.016 0.000 0.303 553 W C 2.626 178.970 176.519 -0.291 0.000 1.208 553 W CA 1.587 58.647 57.345 -0.475 0.000 1.274 553 W CB -0.745 28.528 29.460 -0.312 0.000 1.138 553 W HN 0.067 nan 8.180 nan 0.000 0.515 554 Q N 0.788 120.492 119.800 -0.161 0.000 2.124 554 Q HA -0.175 4.173 4.340 0.013 0.000 0.202 554 Q C 2.167 178.097 176.000 -0.116 0.000 0.977 554 Q CA 2.087 57.839 55.803 -0.085 0.000 0.850 554 Q CB -0.587 28.118 28.738 -0.054 0.000 0.901 554 Q HN 0.276 nan 8.270 nan 0.000 0.429 555 A N -0.033 122.624 122.820 -0.272 0.000 1.898 555 A HA -0.103 4.226 4.320 0.013 0.000 0.216 555 A C 2.041 179.589 177.584 -0.059 0.000 1.181 555 A CA 1.074 52.985 52.037 -0.210 0.000 0.620 555 A CB -1.060 17.695 19.000 -0.409 0.000 0.819 555 A HN 0.469 nan 8.150 nan 0.000 0.442 556 F N -0.363 119.400 119.950 -0.312 0.000 2.126 556 F HA -0.222 4.313 4.527 0.013 0.000 0.299 556 F C 2.763 178.455 175.800 -0.180 0.000 1.096 556 F CA 1.184 58.970 58.000 -0.358 0.000 1.255 556 F CB -0.191 38.360 39.000 -0.749 0.000 0.997 556 F HN 0.147 nan 8.300 nan 0.000 0.479 557 R N 0.041 120.578 120.500 0.061 0.000 2.090 557 R HA -0.159 4.189 4.340 0.013 0.000 0.228 557 R C 2.138 178.464 176.300 0.043 0.000 1.110 557 R CA 1.190 57.317 56.100 0.044 0.000 0.973 557 R CB -0.380 29.943 30.300 0.039 0.000 0.869 557 R HN 0.368 nan 8.270 nan 0.000 0.440 558 Q N -0.349 119.502 119.800 0.085 0.000 2.187 558 Q HA -0.062 4.286 4.340 0.013 0.000 0.199 558 Q C -0.447 175.564 176.000 0.017 0.000 0.957 558 Q CA 0.923 56.764 55.803 0.063 0.000 0.857 558 Q CB 0.352 29.160 28.738 0.116 0.000 0.929 558 Q HN 0.191 nan 8.270 nan 0.000 0.453 559 Y N 0.368 120.647 120.300 -0.035 0.000 2.385 559 Y HA 0.252 4.809 4.550 0.012 0.000 0.341 559 Y C -1.764 174.111 175.900 -0.043 0.000 0.965 559 Y CA -2.761 55.320 58.100 -0.033 0.000 1.180 559 Y CB 1.354 39.800 38.460 -0.024 0.000 1.139 559 Y HN 0.140 nan 8.280 nan 0.000 0.502 560 P HA -0.206 nan 4.420 nan 0.000 0.216 560 P C 1.159 178.462 177.300 0.006 0.000 1.157 560 P CA 1.960 65.059 63.100 -0.002 0.000 0.880 560 P CB 0.295 31.979 31.700 -0.027 0.000 0.791 561 R N -1.238 119.286 120.500 0.039 0.000 2.280 561 R HA 0.054 4.402 4.340 0.013 0.000 0.207 561 R C 0.496 176.785 176.300 -0.020 0.000 1.043 561 R CA 0.228 56.336 56.100 0.013 0.000 1.006 561 R CB -0.568 29.749 30.300 0.028 0.000 0.885 561 R HN 0.248 nan 8.270 nan 0.000 0.467 562 L N 1.781 123.013 121.223 0.015 0.000 2.268 562 L HA 0.132 4.480 4.340 0.013 0.000 0.289 562 L C 0.566 177.304 176.870 -0.220 0.000 1.064 562 L CA 0.129 54.926 54.840 -0.071 0.000 0.824 562 L CB 1.220 43.307 42.059 0.046 0.000 1.202 562 L HN 0.071 nan 8.230 nan 0.000 0.433 563 Q N 3.017 122.610 119.800 -0.346 0.000 2.201 563 Q HA 0.320 4.668 4.340 0.013 0.000 0.236 563 Q C 0.761 176.354 176.000 -0.679 0.000 0.857 563 Q CA 0.067 55.629 55.803 -0.402 0.000 1.025 563 Q CB 1.091 29.681 28.738 -0.247 0.000 1.124 563 Q HN 0.970 nan 8.270 nan 0.000 0.473 564 G N -0.302 107.706 108.800 -1.320 0.000 2.416 564 G HA2 0.099 4.067 3.960 0.013 0.000 0.203 564 G HA3 0.099 4.067 3.960 0.013 0.000 0.203 564 G C -0.289 173.767 174.900 -1.407 0.000 1.227 564 G CA -0.724 43.227 45.100 -1.915 0.000 1.041 564 G HN 0.585 nan 8.290 nan 0.000 0.546 565 G N -2.237 106.037 108.800 -0.876 0.000 2.349 565 G HA2 0.641 4.609 3.960 0.013 0.000 0.294 565 G HA3 0.641 4.609 3.960 0.013 0.000 0.294 565 G C -1.821 173.033 174.900 -0.077 0.000 1.380 565 G CA -0.248 44.584 45.100 -0.447 0.000 0.811 565 G HN 1.178 nan 8.290 nan 0.000 0.519 566 F N 0.538 120.737 119.950 0.415 0.000 2.427 566 F HA 0.537 5.071 4.527 0.012 0.000 0.348 566 F C 0.754 176.840 175.800 0.477 0.000 1.125 566 F CA -0.806 57.462 58.000 0.447 0.000 0.989 566 F CB 2.098 41.256 39.000 0.263 0.000 1.165 566 F HN 0.262 nan 8.300 nan 0.000 0.442 567 V N 3.329 123.541 119.914 0.496 0.000 2.872 567 V HA -0.136 3.992 4.120 0.013 0.000 0.307 567 V C -0.258 175.988 176.094 0.255 0.000 1.072 567 V CA -0.250 62.135 62.300 0.142 0.000 1.148 567 V CB 0.759 32.685 31.823 0.172 0.000 0.954 567 V HN 0.773 nan 8.190 nan 0.000 0.490 568 W N 6.609 127.992 121.300 0.138 0.000 2.278 568 W HA 0.465 5.133 4.660 0.013 0.000 0.317 568 W C -0.842 175.692 176.519 0.026 0.000 1.030 568 W CA -0.639 56.825 57.345 0.198 0.000 1.334 568 W CB 1.285 31.038 29.460 0.488 0.000 1.215 568 W HN 0.918 nan 8.180 nan 0.000 0.405 569 D N 2.907 122.985 120.400 -0.535 0.000 2.825 569 D HA 0.085 4.733 4.640 0.013 0.000 0.327 569 D C 0.571 176.635 176.300 -0.392 0.000 1.277 569 D CA -0.546 53.026 54.000 -0.713 0.000 0.950 569 D CB 0.178 39.991 40.800 -1.644 0.000 1.438 569 D HN 0.407 nan 8.370 nan 0.000 0.526 570 W N 0.458 121.438 121.300 -0.532 0.000 2.413 570 W HA 0.175 4.843 4.660 0.014 0.000 0.315 570 W C -0.166 176.123 176.519 -0.383 0.000 1.186 570 W CA 1.072 58.160 57.345 -0.428 0.000 1.326 570 W CB 0.357 29.592 29.460 -0.376 0.000 1.153 570 W HN 0.154 nan 8.180 nan 0.000 0.489 571 V N 2.655 122.338 119.914 -0.384 0.000 2.656 571 V HA 0.240 4.368 4.120 0.013 0.000 0.307 571 V C -0.941 174.965 176.094 -0.314 0.000 1.051 571 V CA -0.765 61.261 62.300 -0.456 0.000 0.893 571 V CB 1.555 33.234 31.823 -0.240 0.000 0.999 571 V HN -0.115 nan 8.190 nan 0.000 0.426 572 D N 3.931 124.145 120.400 -0.310 0.000 2.493 572 D HA 0.113 4.761 4.640 0.013 0.000 0.240 572 D C 0.381 176.542 176.300 -0.232 0.000 1.142 572 D CA 0.619 54.495 54.000 -0.207 0.000 0.872 572 D CB 0.920 41.684 40.800 -0.061 0.000 1.173 572 D HN 0.606 nan 8.370 nan 0.000 0.467 573 Q N 1.061 120.653 119.800 -0.345 0.000 2.938 573 Q HA 0.113 4.461 4.340 0.013 0.000 0.343 573 Q C -0.026 175.911 176.000 -0.105 0.000 1.185 573 Q CA -0.301 55.071 55.803 -0.719 0.000 0.939 573 Q CB -0.013 28.411 28.738 -0.524 0.000 1.480 573 Q HN 0.359 nan 8.270 nan 0.000 0.442 574 S N -0.332 115.417 115.700 0.081 0.000 2.616 574 S HA 0.604 5.082 4.470 0.013 0.000 0.277 574 S C -0.136 174.626 174.600 0.269 0.000 1.234 574 S CA -0.771 57.593 58.200 0.273 0.000 1.028 574 S CB 1.363 64.716 63.200 0.254 0.000 0.988 574 S HN 0.320 nan 8.310 nan 0.000 0.522 575 L N 1.906 123.212 121.223 0.140 0.000 2.342 575 L HA 0.508 4.856 4.340 0.013 0.000 0.271 575 L C -0.451 176.317 176.870 -0.169 0.000 1.008 575 L CA -1.232 53.571 54.840 -0.062 0.000 0.818 575 L CB 1.470 43.372 42.059 -0.263 0.000 1.296 575 L HN 0.561 nan 8.230 nan 0.000 0.427 576 I N 2.650 123.065 120.570 -0.258 0.000 2.471 576 I HA 0.213 4.391 4.170 0.013 0.000 0.286 576 I C 0.246 175.927 176.117 -0.727 0.000 1.079 576 I CA 0.120 61.125 61.300 -0.493 0.000 1.398 576 I CB 0.788 38.522 38.000 -0.444 0.000 1.403 576 I HN 0.564 nan 8.210 nan 0.000 0.530 577 K N 5.435 125.123 120.400 -1.188 0.000 2.295 577 K HA 0.578 4.906 4.320 0.013 0.000 0.239 577 K C -1.465 174.301 176.600 -1.391 0.000 0.991 577 K CA -0.677 54.813 56.287 -1.328 0.000 0.845 577 K CB 2.156 33.570 32.500 -1.811 0.000 1.197 577 K HN 0.240 nan 8.250 nan 0.000 0.441 578 Y N 0.530 120.582 120.300 -0.414 0.000 2.446 578 Y HA 0.150 4.708 4.550 0.014 0.000 0.345 578 Y C 0.066 176.065 175.900 0.165 0.000 0.984 578 Y CA -1.067 56.972 58.100 -0.103 0.000 1.058 578 Y CB 1.393 39.816 38.460 -0.062 0.000 1.220 578 Y HN 0.679 nan 8.280 nan 0.000 0.455 579 D N -0.026 120.633 120.400 0.433 0.000 2.451 579 D HA 0.072 4.720 4.640 0.013 0.000 0.259 579 D C 0.735 177.152 176.300 0.195 0.000 1.201 579 D CA -0.408 53.794 54.000 0.335 0.000 1.028 579 D CB 0.612 41.549 40.800 0.228 0.000 1.095 579 D HN 0.605 nan 8.370 nan 0.000 0.539 580 E N -0.714 119.560 120.200 0.123 0.000 2.284 580 E HA -0.191 4.167 4.350 0.013 0.000 0.200 580 E C 0.918 177.556 176.600 0.063 0.000 1.008 580 E CA 1.014 57.460 56.400 0.077 0.000 0.829 580 E CB -0.099 29.629 29.700 0.046 0.000 0.744 580 E HN 0.425 nan 8.360 nan 0.000 0.491 581 N N -0.682 118.064 118.700 0.077 0.000 2.463 581 N HA -0.025 4.723 4.740 0.013 0.000 0.181 581 N C 1.338 176.890 175.510 0.071 0.000 1.078 581 N CA 0.968 54.056 53.050 0.064 0.000 0.902 581 N CB 0.770 39.292 38.487 0.058 0.000 0.970 581 N HN 0.248 nan 8.380 nan 0.000 0.451 582 G N 0.542 109.404 108.800 0.104 0.000 2.157 582 G HA2 -0.228 3.740 3.960 0.013 0.000 0.239 582 G HA3 -0.228 3.740 3.960 0.013 0.000 0.239 582 G C -0.403 174.620 174.900 0.205 0.000 0.982 582 G CA -0.443 44.712 45.100 0.092 0.000 0.650 582 G HN 0.301 nan 8.290 nan 0.000 0.527 583 N N 2.152 120.988 118.700 0.227 0.000 2.434 583 N HA 0.441 5.189 4.740 0.013 0.000 0.272 583 N C -2.572 173.105 175.510 0.278 0.000 1.040 583 N CA -1.073 52.115 53.050 0.230 0.000 0.956 583 N CB 2.151 40.736 38.487 0.163 0.000 1.108 583 N HN 0.213 nan 8.380 nan 0.000 0.481 584 P HA 0.259 nan 4.420 nan 0.000 0.277 584 P C -0.492 176.794 177.300 -0.023 0.000 1.240 584 P CA -0.303 62.690 63.100 -0.177 0.000 0.798 584 P CB 0.838 32.434 31.700 -0.174 0.000 0.979 585 W N -0.788 120.292 121.300 -0.366 0.000 3.137 585 W HA 0.424 5.092 4.660 0.013 0.000 0.324 585 W C -1.613 174.730 176.519 -0.295 0.000 1.253 585 W CA -1.024 56.107 57.345 -0.356 0.000 1.183 585 W CB 0.435 29.478 29.460 -0.694 0.000 1.424 585 W HN 0.115 nan 8.180 nan 0.000 0.566 586 S N 1.532 117.324 115.700 0.153 0.000 2.489 586 S HA 0.609 5.087 4.470 0.013 0.000 0.277 586 S C 0.122 174.905 174.600 0.304 0.000 1.230 586 S CA -0.273 58.004 58.200 0.129 0.000 1.053 586 S CB 0.999 64.329 63.200 0.217 0.000 0.955 586 S HN 0.609 nan 8.310 nan 0.000 0.488 587 A N 2.919 125.777 122.820 0.063 0.000 2.337 587 A HA 0.876 5.204 4.320 0.013 0.000 0.331 587 A C -0.722 177.104 177.584 0.402 0.000 1.137 587 A CA -0.717 51.390 52.037 0.117 0.000 0.807 587 A CB 0.663 19.434 19.000 -0.382 0.000 1.250 587 A HN 0.843 nan 8.150 nan 0.000 0.468 588 Y N -0.503 120.114 120.300 0.528 0.000 2.944 588 Y HA 0.787 5.346 4.550 0.014 0.000 0.312 588 Y C 0.599 176.859 175.900 0.599 0.000 1.417 588 Y CA -1.425 56.983 58.100 0.513 0.000 1.105 588 Y CB -0.049 38.544 38.460 0.221 0.000 1.364 588 Y HN 0.889 nan 8.280 nan 0.000 0.540 589 G N -0.359 108.854 108.800 0.688 0.000 2.353 589 G HA2 0.391 4.359 3.960 0.013 0.000 0.239 589 G HA3 0.391 4.359 3.960 0.013 0.000 0.239 589 G C 0.909 176.130 174.900 0.536 0.000 1.295 589 G CA 0.272 45.697 45.100 0.542 0.000 0.884 589 G HN 1.974 nan 8.290 nan 0.000 0.537 590 G N 1.931 111.011 108.800 0.467 0.000 2.241 590 G HA2 -0.278 3.690 3.960 0.013 0.000 0.244 590 G HA3 -0.278 3.690 3.960 0.013 0.000 0.244 590 G C 0.908 175.990 174.900 0.303 0.000 0.998 590 G CA 0.661 45.969 45.100 0.346 0.000 0.621 590 G HN 0.636 nan 8.290 nan 0.000 0.519 591 D N -0.259 120.324 120.400 0.305 0.000 2.392 591 D HA 0.136 4.784 4.640 0.013 0.000 0.228 591 D C 1.204 177.330 176.300 -0.290 0.000 1.003 591 D CA 0.577 54.583 54.000 0.009 0.000 0.917 591 D CB -0.184 40.559 40.800 -0.095 0.000 0.890 591 D HN 0.490 nan 8.370 nan 0.000 0.532 592 F N -1.141 118.929 119.950 0.200 0.000 2.735 592 F HA 0.303 4.838 4.527 0.013 0.000 0.308 592 F C 1.703 177.586 175.800 0.139 0.000 1.112 592 F CA -0.195 57.882 58.000 0.128 0.000 1.235 592 F CB 0.971 40.044 39.000 0.122 0.000 1.027 592 F HN -0.052 nan 8.300 nan 0.000 0.528 593 G N 0.425 109.379 108.800 0.257 0.000 2.179 593 G HA2 -0.269 3.699 3.960 0.013 0.000 0.260 593 G HA3 -0.269 3.699 3.960 0.013 0.000 0.260 593 G C -0.225 174.812 174.900 0.228 0.000 0.977 593 G CA 0.150 45.372 45.100 0.204 0.000 0.641 593 G HN 0.383 nan 8.290 nan 0.000 0.533 594 D N 0.458 121.043 120.400 0.308 0.000 2.390 594 D HA 0.524 5.172 4.640 0.013 0.000 0.249 594 D C 0.146 176.565 176.300 0.198 0.000 1.144 594 D CA 0.870 55.034 54.000 0.273 0.000 0.880 594 D CB 1.701 42.717 40.800 0.360 0.000 1.182 594 D HN 0.356 nan 8.370 nan 0.000 0.451 595 T N 0.800 115.440 114.554 0.144 0.000 3.047 595 T HA 0.413 4.772 4.350 0.013 0.000 0.340 595 T C -2.772 171.963 174.700 0.059 0.000 1.421 595 T CA -1.131 61.026 62.100 0.095 0.000 1.090 595 T CB 1.026 69.952 68.868 0.097 0.000 1.292 595 T HN 0.238 nan 8.240 nan 0.000 0.480 596 P HA 0.465 nan 4.420 nan 0.000 0.271 596 P C -0.922 176.367 177.300 -0.018 0.000 1.233 596 P CA -0.277 62.823 63.100 -0.001 0.000 0.789 596 P CB 0.298 31.973 31.700 -0.042 0.000 0.951 597 N N -1.624 117.064 118.700 -0.020 0.000 2.647 597 N HA 0.325 5.073 4.740 0.013 0.000 0.266 597 N C -1.118 174.338 175.510 -0.088 0.000 1.373 597 N CA -0.784 52.232 53.050 -0.057 0.000 0.807 597 N CB 0.879 39.421 38.487 0.092 0.000 1.513 597 N HN 0.077 nan 8.380 nan 0.000 0.505 598 D N -0.333 119.966 120.400 -0.168 0.000 2.772 598 D HA 0.151 4.799 4.640 0.013 0.000 0.272 598 D C 0.377 176.866 176.300 0.314 0.000 1.314 598 D CA -0.148 53.826 54.000 -0.043 0.000 0.835 598 D CB 0.155 40.783 40.800 -0.288 0.000 1.080 598 D HN 0.727 nan 8.370 nan 0.000 0.482 599 R N 0.675 121.368 120.500 0.322 0.000 3.682 599 R HA -0.321 4.027 4.340 0.013 0.000 0.519 599 R C 1.079 177.435 176.300 0.093 0.000 0.241 599 R CA 1.484 57.778 56.100 0.324 0.000 1.619 599 R CB -1.585 28.823 30.300 0.179 0.000 0.923 599 R HN 0.144 nan 8.270 nan 0.000 0.598 600 Q N 1.485 121.022 119.800 -0.438 0.000 2.444 600 Q HA 0.011 4.359 4.340 0.013 0.000 0.206 600 Q C 1.675 177.405 176.000 -0.451 0.000 0.948 600 Q CA 1.251 56.593 55.803 -0.770 0.000 0.946 600 Q CB 0.010 28.068 28.738 -1.132 0.000 1.027 600 Q HN 0.609 nan 8.270 nan 0.000 0.513 601 F N 1.667 121.539 119.950 -0.129 0.000 2.373 601 F HA -0.157 4.378 4.527 0.013 0.000 0.300 601 F C 2.294 178.045 175.800 -0.082 0.000 1.080 601 F CA 1.250 59.253 58.000 0.006 0.000 1.417 601 F CB -0.162 38.906 39.000 0.112 0.000 1.070 601 F HN 0.421 nan 8.300 nan 0.000 0.546 602 C N -1.257 117.765 119.300 -0.463 0.000 2.522 602 C HA 0.184 4.652 4.460 0.013 0.000 0.271 602 C C 1.035 175.833 174.990 -0.321 0.000 1.425 602 C CA -0.480 58.099 59.018 -0.733 0.000 1.751 602 C CB -1.691 25.045 27.740 -1.673 0.000 1.775 602 C HN 0.185 nan 8.230 nan 0.000 0.557 603 M N 2.616 122.079 119.600 -0.229 0.000 2.055 603 M HA 0.280 4.768 4.480 0.013 0.000 0.346 603 M C -0.401 175.800 176.300 -0.164 0.000 1.074 603 M CA 0.330 55.531 55.300 -0.164 0.000 1.009 603 M CB 0.120 32.656 32.600 -0.107 0.000 1.423 603 M HN 0.362 nan 8.290 nan 0.000 0.410 604 N N 0.857 119.452 118.700 -0.174 0.000 2.240 604 N HA 0.194 4.942 4.740 0.013 0.000 0.240 604 N C 0.387 175.694 175.510 -0.339 0.000 1.277 604 N CA -0.535 52.372 53.050 -0.239 0.000 0.873 604 N CB 1.205 39.627 38.487 -0.108 0.000 1.222 604 N HN 0.659 nan 8.380 nan 0.000 0.507 605 G N 0.002 108.571 108.800 -0.386 0.000 2.504 605 G HA2 0.349 4.317 3.960 0.013 0.000 0.288 605 G HA3 0.349 4.317 3.960 0.013 0.000 0.288 605 G C 0.670 175.111 174.900 -0.765 0.000 1.182 605 G CA -0.538 44.222 45.100 -0.566 0.000 0.894 605 G HN 0.099 nan 8.290 nan 0.000 0.521 606 L N -0.175 120.594 121.223 -0.755 0.000 2.395 606 L HA 0.121 4.469 4.340 0.013 0.000 0.218 606 L C 0.830 177.043 176.870 -1.095 0.000 1.130 606 L CA 0.335 54.729 54.840 -0.744 0.000 0.826 606 L CB -0.205 41.545 42.059 -0.515 0.000 0.941 606 L HN 0.384 nan 8.230 nan 0.000 0.451 607 V N -4.924 114.239 119.914 -1.251 0.000 2.914 607 V HA 0.464 4.592 4.120 0.013 0.000 0.314 607 V C -0.167 175.446 176.094 -0.800 0.000 1.084 607 V CA -1.268 60.445 62.300 -0.979 0.000 0.963 607 V CB 1.541 32.849 31.823 -0.858 0.000 1.025 607 V HN -0.134 nan 8.190 nan 0.000 0.432 608 F N 1.781 121.594 119.950 -0.229 0.000 2.480 608 F HA 0.507 5.042 4.527 0.014 0.000 0.319 608 F C 2.006 177.731 175.800 -0.125 0.000 1.230 608 F CA 0.696 58.679 58.000 -0.027 0.000 1.285 608 F CB 0.715 39.728 39.000 0.022 0.000 1.208 608 F HN 0.784 nan 8.300 nan 0.000 0.579 609 A N 0.723 123.634 122.820 0.152 0.000 1.986 609 A HA -0.236 4.092 4.320 0.013 0.000 0.220 609 A C 1.586 179.149 177.584 -0.035 0.000 1.171 609 A CA 1.970 54.044 52.037 0.061 0.000 0.640 609 A CB -0.973 18.097 19.000 0.118 0.000 0.811 609 A HN 0.789 nan 8.150 nan 0.000 0.451 610 D N -3.041 117.356 120.400 -0.006 0.000 2.325 610 D HA 0.177 4.825 4.640 0.013 0.000 0.225 610 D C 0.607 176.891 176.300 -0.026 0.000 1.096 610 D CA -0.051 53.913 54.000 -0.059 0.000 0.844 610 D CB -0.054 40.718 40.800 -0.047 0.000 0.925 610 D HN 0.220 nan 8.370 nan 0.000 0.513 611 R N -1.920 118.568 120.500 -0.020 0.000 3.728 611 R HA -0.122 4.226 4.340 0.013 0.000 0.478 611 R C -0.227 176.075 176.300 0.003 0.000 0.932 611 R CA 1.071 57.153 56.100 -0.032 0.000 1.317 611 R CB -3.242 27.073 30.300 0.024 0.000 1.987 611 R HN 0.241 nan 8.270 nan 0.000 0.509 612 T N 2.792 117.394 114.554 0.080 0.000 2.888 612 T HA 0.326 4.684 4.350 0.013 0.000 0.301 612 T C -2.306 172.514 174.700 0.201 0.000 1.001 612 T CA -0.719 61.459 62.100 0.130 0.000 1.147 612 T CB 0.944 69.885 68.868 0.121 0.000 0.931 612 T HN -0.090 nan 8.240 nan 0.000 0.541 613 P HA 0.173 nan 4.420 nan 0.000 0.275 613 P C -0.100 177.283 177.300 0.138 0.000 1.228 613 P CA -0.221 62.889 63.100 0.015 0.000 0.786 613 P CB 0.405 32.111 31.700 0.009 0.000 0.927 614 H N 2.795 121.714 119.070 -0.252 0.000 2.546 614 H HA 0.103 4.667 4.556 0.014 0.000 0.365 614 H C -1.267 173.974 175.328 -0.146 0.000 1.220 614 H CA -1.865 54.008 56.048 -0.292 0.000 1.386 614 H CB 0.280 29.811 29.762 -0.385 0.000 1.510 614 H HN 0.337 nan 8.280 nan 0.000 0.591 615 P HA -0.187 nan 4.420 nan 0.000 0.216 615 P C 1.185 178.489 177.300 0.005 0.000 1.150 615 P CA 1.601 64.700 63.100 -0.003 0.000 0.837 615 P CB -0.006 31.692 31.700 -0.002 0.000 0.786 616 A N -0.681 122.144 122.820 0.009 0.000 2.076 616 A HA -0.195 4.133 4.320 0.013 0.000 0.220 616 A C 2.071 179.601 177.584 -0.090 0.000 1.160 616 A CA 1.281 53.282 52.037 -0.060 0.000 0.653 616 A CB -1.603 17.335 19.000 -0.103 0.000 0.801 616 A HN 0.167 nan 8.150 nan 0.000 0.455 617 L N -0.174 121.013 121.223 -0.059 0.000 2.079 617 L HA -0.124 4.224 4.340 0.013 0.000 0.210 617 L C 2.385 179.288 176.870 0.054 0.000 1.081 617 L CA 2.699 57.533 54.840 -0.009 0.000 0.752 617 L CB -0.855 41.199 42.059 -0.008 0.000 0.896 617 L HN 0.377 nan 8.230 nan 0.000 0.433 618 T N -1.353 113.242 114.554 0.069 0.000 2.867 618 T HA -0.155 4.203 4.350 0.013 0.000 0.268 618 T C 1.695 176.495 174.700 0.168 0.000 1.057 618 T CA 1.244 63.443 62.100 0.164 0.000 1.136 618 T CB -0.107 68.842 68.868 0.134 0.000 0.874 618 T HN 0.333 nan 8.240 nan 0.000 0.466 619 E N 1.564 121.804 120.200 0.066 0.000 2.106 619 E HA 0.005 4.363 4.350 0.013 0.000 0.192 619 E C 2.225 178.820 176.600 -0.007 0.000 0.984 619 E CA 1.160 57.599 56.400 0.066 0.000 0.806 619 E CB -0.448 29.259 29.700 0.012 0.000 0.750 619 E HN 0.445 nan 8.360 nan 0.000 0.458 620 A N 1.042 123.756 122.820 -0.176 0.000 1.873 620 A HA -0.203 4.125 4.320 0.013 0.000 0.215 620 A C 2.155 179.615 177.584 -0.207 0.000 1.186 620 A CA 1.841 53.718 52.037 -0.267 0.000 0.616 620 A CB -0.627 18.208 19.000 -0.275 0.000 0.823 620 A HN 0.260 nan 8.150 nan 0.000 0.442 621 K N -1.144 119.204 120.400 -0.088 0.000 2.044 621 K HA -0.306 4.022 4.320 0.013 0.000 0.210 621 K C 2.057 178.540 176.600 -0.195 0.000 1.049 621 K CA 2.135 58.380 56.287 -0.070 0.000 0.927 621 K CB -0.377 32.230 32.500 0.179 0.000 0.713 621 K HN 0.635 nan 8.250 nan 0.000 0.443 622 H N 0.369 119.244 119.070 -0.326 0.000 2.326 622 H HA -0.026 4.538 4.556 0.014 0.000 0.301 622 H C 2.002 177.056 175.328 -0.457 0.000 1.081 622 H CA 1.822 57.495 56.048 -0.625 0.000 1.334 622 H CB 0.063 29.478 29.762 -0.579 0.000 1.385 622 H HN 0.253 nan 8.280 nan 0.000 0.504 623 Q N 0.258 119.815 119.800 -0.406 0.000 2.224 623 Q HA -0.104 4.244 4.340 0.013 0.000 0.203 623 Q C 1.630 177.119 176.000 -0.851 0.000 0.970 623 Q CA 1.217 56.721 55.803 -0.499 0.000 0.865 623 Q CB -0.006 28.609 28.738 -0.205 0.000 0.922 623 Q HN 0.707 nan 8.270 nan 0.000 0.445 624 Q N 0.192 119.428 119.800 -0.941 0.000 2.322 624 Q HA 0.061 4.409 4.340 0.013 0.000 0.203 624 Q C -0.038 175.403 176.000 -0.931 0.000 0.923 624 Q CA -0.197 54.894 55.803 -1.187 0.000 0.949 624 Q CB 0.311 28.394 28.738 -1.091 0.000 1.039 624 Q HN 0.388 nan 8.270 nan 0.000 0.496 625 Q N -0.559 118.846 119.800 -0.657 0.000 2.428 625 Q HA -0.027 4.321 4.340 0.013 0.000 0.276 625 Q C -0.117 175.523 176.000 -0.600 0.000 1.059 625 Q CA 0.406 55.947 55.803 -0.436 0.000 0.923 625 Q CB 0.461 29.029 28.738 -0.283 0.000 1.283 625 Q HN 0.290 nan 8.270 nan 0.000 0.447 626 F N 0.042 119.755 119.950 -0.396 0.000 2.695 626 F HA 0.239 4.774 4.527 0.013 0.000 0.303 626 F C -0.237 174.980 175.800 -0.971 0.000 1.091 626 F CA -0.044 57.487 58.000 -0.780 0.000 1.300 626 F CB 0.606 38.855 39.000 -1.252 0.000 1.071 626 F HN 0.302 nan 8.300 nan 0.000 0.578 627 F N 0.398 120.265 119.950 -0.139 0.000 2.540 627 F HA 0.479 5.015 4.527 0.014 0.000 0.317 627 F C -0.120 175.336 175.800 -0.574 0.000 1.104 627 F CA -1.083 56.723 58.000 -0.322 0.000 0.913 627 F CB 1.323 40.125 39.000 -0.330 0.000 1.170 627 F HN -0.316 nan 8.300 nan 0.000 0.450 628 Q N 2.991 122.541 119.800 -0.417 0.000 2.306 628 Q HA 0.584 4.932 4.340 0.013 0.000 0.265 628 Q C -1.380 174.345 176.000 -0.457 0.000 1.022 628 Q CA -0.659 54.931 55.803 -0.355 0.000 0.853 628 Q CB 2.880 31.541 28.738 -0.129 0.000 1.327 628 Q HN 0.546 nan 8.270 nan 0.000 0.449 629 F N 0.451 120.524 119.950 0.205 0.000 2.576 629 F HA 0.590 5.126 4.527 0.014 0.000 0.313 629 F C 0.344 176.384 175.800 0.401 0.000 1.078 629 F CA -0.992 57.207 58.000 0.331 0.000 0.921 629 F CB 1.769 41.075 39.000 0.510 0.000 1.232 629 F HN 0.072 nan 8.300 nan 0.000 0.459 630 R N 1.890 122.695 120.500 0.509 0.000 2.686 630 R HA 0.661 5.009 4.340 0.013 0.000 0.283 630 R C -1.918 174.415 176.300 0.056 0.000 0.978 630 R CA -1.131 55.169 56.100 0.333 0.000 0.897 630 R CB 2.818 33.224 30.300 0.177 0.000 1.192 630 R HN 0.646 nan 8.270 nan 0.000 0.457 631 L N 0.470 121.554 121.223 -0.232 0.000 2.362 631 L HA 0.554 4.902 4.340 0.013 0.000 0.275 631 L C -0.796 175.896 176.870 -0.297 0.000 0.998 631 L CA -0.015 54.484 54.840 -0.568 0.000 0.820 631 L CB 2.085 43.349 42.059 -1.324 0.000 1.270 631 L HN 0.576 nan 8.230 nan 0.000 0.415 632 S N 3.754 119.320 115.700 -0.225 0.000 2.789 632 S HA 0.702 5.180 4.470 0.013 0.000 0.286 632 S C 0.277 174.791 174.600 -0.143 0.000 1.153 632 S CA 0.288 58.403 58.200 -0.141 0.000 1.084 632 S CB 0.259 63.410 63.200 -0.082 0.000 1.036 632 S HN 1.560 nan 8.310 nan 0.000 0.484 633 G N 4.402 113.118 108.800 -0.139 0.000 2.609 633 G HA2 -0.311 3.657 3.960 0.013 0.000 0.288 633 G HA3 -0.311 3.657 3.960 0.013 0.000 0.288 633 G C 0.353 175.152 174.900 -0.169 0.000 1.211 633 G CA 0.669 45.693 45.100 -0.127 0.000 0.963 633 G HN 1.024 nan 8.290 nan 0.000 0.541 634 Q N 0.747 120.447 119.800 -0.166 0.000 2.115 634 Q HA 0.456 4.804 4.340 0.013 0.000 0.249 634 Q C -0.445 175.429 176.000 -0.209 0.000 0.830 634 Q CA 0.529 56.208 55.803 -0.206 0.000 1.104 634 Q CB 0.516 29.136 28.738 -0.197 0.000 1.207 634 Q HN 0.500 nan 8.270 nan 0.000 0.464 635 T N 1.523 115.966 114.554 -0.184 0.000 2.771 635 T HA 0.513 4.871 4.350 0.013 0.000 0.281 635 T C -0.217 174.383 174.700 -0.167 0.000 0.982 635 T CA -0.358 61.654 62.100 -0.148 0.000 0.978 635 T CB 1.099 69.906 68.868 -0.101 0.000 0.930 635 T HN 0.231 nan 8.240 nan 0.000 0.447 636 I N 2.684 123.176 120.570 -0.130 0.000 2.336 636 I HA 0.315 4.493 4.170 0.013 0.000 0.292 636 I C 0.550 176.690 176.117 0.039 0.000 0.991 636 I CA -0.619 60.636 61.300 -0.076 0.000 1.227 636 I CB 1.336 39.327 38.000 -0.014 0.000 1.366 636 I HN 0.573 nan 8.210 nan 0.000 0.466 637 E N 6.520 126.769 120.200 0.082 0.000 2.134 637 E HA 0.412 4.770 4.350 0.013 0.000 0.278 637 E C -1.511 175.192 176.600 0.170 0.000 0.959 637 E CA -0.580 55.880 56.400 0.100 0.000 0.783 637 E CB 1.472 31.217 29.700 0.075 0.000 1.095 637 E HN 0.356 nan 8.360 nan 0.000 0.399 638 V N 4.439 124.434 119.914 0.135 0.000 2.370 638 V HA 0.292 4.421 4.120 0.013 0.000 0.283 638 V C -0.038 176.078 176.094 0.037 0.000 1.023 638 V CA -0.569 61.777 62.300 0.076 0.000 0.857 638 V CB 1.669 33.555 31.823 0.106 0.000 0.985 638 V HN 0.706 nan 8.190 nan 0.000 0.443 639 T N 3.382 117.921 114.554 -0.023 0.000 2.797 639 T HA 0.354 4.712 4.350 0.013 0.000 0.279 639 T C 0.014 174.724 174.700 0.017 0.000 0.991 639 T CA -0.247 61.854 62.100 0.001 0.000 0.979 639 T CB 1.572 70.422 68.868 -0.029 0.000 0.943 639 T HN 0.672 nan 8.240 nan 0.000 0.444 640 S N 1.657 117.383 115.700 0.044 0.000 2.525 640 S HA 0.225 4.703 4.470 0.013 0.000 0.278 640 S C 0.769 175.269 174.600 -0.168 0.000 1.234 640 S CA -0.553 57.623 58.200 -0.041 0.000 1.058 640 S CB 0.618 63.867 63.200 0.080 0.000 0.983 640 S HN 0.730 nan 8.310 nan 0.000 0.495 641 E N 2.772 122.768 120.200 -0.339 0.000 2.481 641 E HA 0.094 4.452 4.350 0.013 0.000 0.198 641 E C -0.703 175.725 176.600 -0.287 0.000 1.027 641 E CA -0.121 56.105 56.400 -0.291 0.000 0.900 641 E CB 0.301 29.805 29.700 -0.326 0.000 0.993 641 E HN 0.701 nan 8.360 nan 0.000 0.482 642 Y N 0.468 120.658 120.300 -0.184 0.000 2.480 642 Y HA -0.040 4.518 4.550 0.013 0.000 0.338 642 Y C 1.481 177.223 175.900 -0.263 0.000 1.220 642 Y CA 0.195 58.183 58.100 -0.187 0.000 1.430 642 Y CB 0.706 39.039 38.460 -0.212 0.000 1.311 642 Y HN -0.033 nan 8.280 nan 0.000 0.575 643 L N 1.088 122.150 121.223 -0.269 0.000 2.463 643 L HA 0.067 4.415 4.340 0.013 0.000 0.219 643 L C 0.640 177.059 176.870 -0.751 0.000 1.088 643 L CA 0.589 55.011 54.840 -0.697 0.000 0.849 643 L CB 0.040 41.300 42.059 -1.332 0.000 1.012 643 L HN 0.648 nan 8.230 nan 0.000 0.468 644 F N -0.573 119.400 119.950 0.039 0.000 2.729 644 F HA 0.211 4.745 4.527 0.012 0.000 0.304 644 F C 1.175 176.965 175.800 -0.018 0.000 1.008 644 F CA -0.803 57.191 58.000 -0.009 0.000 1.188 644 F CB 0.350 39.323 39.000 -0.045 0.000 0.980 644 F HN -0.153 nan 8.300 nan 0.000 0.627 645 R N 0.175 120.730 120.500 0.092 0.000 2.598 645 R HA 0.467 4.815 4.340 0.013 0.000 0.279 645 R C -0.988 175.310 176.300 -0.004 0.000 0.984 645 R CA -0.695 55.400 56.100 -0.008 0.000 0.999 645 R CB 0.907 31.100 30.300 -0.177 0.000 1.114 645 R HN 0.057 nan 8.270 nan 0.000 0.493 646 H N 0.528 119.582 119.070 -0.027 0.000 2.547 646 H HA 0.093 4.657 4.556 0.013 0.000 0.362 646 H C 0.004 175.336 175.328 0.006 0.000 1.181 646 H CA 0.237 56.296 56.048 0.018 0.000 1.376 646 H CB 1.151 30.929 29.762 0.026 0.000 1.488 646 H HN 0.760 nan 8.280 nan 0.000 0.583 647 S N 1.938 117.583 115.700 -0.092 0.000 4.175 647 S HA -0.023 4.455 4.470 0.013 0.000 0.193 647 S C -0.008 174.712 174.600 0.200 0.000 1.373 647 S CA -0.259 58.008 58.200 0.112 0.000 0.908 647 S CB -0.734 62.539 63.200 0.122 0.000 1.547 647 S HN 0.705 nan 8.310 nan 0.000 0.440 648 D N 0.638 121.149 120.400 0.186 0.000 2.336 648 D HA 0.060 4.708 4.640 0.013 0.000 0.228 648 D C 0.270 176.620 176.300 0.083 0.000 1.120 648 D CA -0.259 53.831 54.000 0.151 0.000 0.839 648 D CB -0.372 40.493 40.800 0.108 0.000 0.932 648 D HN 0.501 nan 8.370 nan 0.000 0.509 649 N N 0.082 118.832 118.700 0.082 0.000 2.639 649 N HA 0.153 4.901 4.740 0.013 0.000 0.265 649 N C -1.633 173.926 175.510 0.081 0.000 1.689 649 N CA -0.191 52.898 53.050 0.065 0.000 0.813 649 N CB 0.324 38.838 38.487 0.045 0.000 1.353 649 N HN -0.059 nan 8.380 nan 0.000 0.510 650 E N -0.129 120.111 120.200 0.066 0.000 2.352 650 E HA 0.538 4.896 4.350 0.013 0.000 0.280 650 E C -1.580 175.031 176.600 0.017 0.000 0.930 650 E CA -0.736 55.684 56.400 0.033 0.000 0.765 650 E CB 1.908 31.590 29.700 -0.029 0.000 1.219 650 E HN 0.263 nan 8.360 nan 0.000 0.434 651 L N -0.241 120.986 121.223 0.008 0.000 2.393 651 L HA 0.739 5.087 4.340 0.013 0.000 0.260 651 L C -1.612 175.284 176.870 0.043 0.000 1.002 651 L CA -1.016 53.851 54.840 0.046 0.000 0.818 651 L CB 1.033 43.154 42.059 0.104 0.000 1.369 651 L HN 0.489 nan 8.230 nan 0.000 0.412 652 L N 2.674 123.977 121.223 0.133 0.000 2.272 652 L HA 0.602 4.950 4.340 0.013 0.000 0.289 652 L C -0.802 176.271 176.870 0.339 0.000 1.032 652 L CA 0.207 55.163 54.840 0.192 0.000 0.810 652 L CB 0.258 42.450 42.059 0.222 0.000 1.205 652 L HN 0.589 nan 8.230 nan 0.000 0.422 653 H N 5.039 124.183 119.070 0.124 0.000 2.458 653 H HA 0.489 5.053 4.556 0.014 0.000 0.330 653 H C -0.864 174.545 175.328 0.135 0.000 1.111 653 H CA -0.684 55.396 56.048 0.052 0.000 1.245 653 H CB 0.808 30.558 29.762 -0.020 0.000 1.456 653 H HN 0.631 nan 8.280 nan 0.000 0.488 654 W N 4.277 125.673 121.300 0.159 0.000 2.864 654 W HA 0.639 5.307 4.660 0.013 0.000 0.343 654 W C -1.389 175.181 176.519 0.084 0.000 1.109 654 W CA -1.280 56.137 57.345 0.119 0.000 1.192 654 W CB 1.321 30.843 29.460 0.103 0.000 1.426 654 W HN 0.482 nan 8.180 nan 0.000 0.529 655 M N 2.423 122.208 119.600 0.308 0.000 2.378 655 M HA 0.673 5.161 4.480 0.013 0.000 0.289 655 M C -2.328 174.175 176.300 0.338 0.000 1.136 655 M CA -0.950 54.431 55.300 0.134 0.000 0.917 655 M CB 1.855 34.458 32.600 0.004 0.000 1.669 655 M HN 0.137 nan 8.290 nan 0.000 0.461 656 V N 2.232 122.338 119.914 0.320 0.000 2.495 656 V HA 0.956 5.084 4.120 0.013 0.000 0.298 656 V C -0.310 175.905 176.094 0.202 0.000 1.031 656 V CA -0.326 62.159 62.300 0.308 0.000 0.871 656 V CB 1.632 33.663 31.823 0.346 0.000 0.988 656 V HN 1.073 nan 8.190 nan 0.000 0.432 657 A N 4.305 127.259 122.820 0.222 0.000 2.498 657 A HA 0.879 5.207 4.320 0.013 0.000 0.298 657 A C -1.458 176.270 177.584 0.240 0.000 1.075 657 A CA -0.651 51.489 52.037 0.171 0.000 0.714 657 A CB 1.734 20.797 19.000 0.106 0.000 1.299 657 A HN 0.857 nan 8.150 nan 0.000 0.407 658 L N 1.396 122.722 121.223 0.172 0.000 2.264 658 L HA 0.481 4.829 4.340 0.013 0.000 0.287 658 L C -0.562 176.441 176.870 0.222 0.000 1.039 658 L CA 0.247 55.198 54.840 0.185 0.000 0.829 658 L CB 0.066 42.188 42.059 0.104 0.000 1.211 658 L HN 0.722 nan 8.230 nan 0.000 0.427 659 D N 5.108 125.749 120.400 0.402 0.000 2.755 659 D HA -0.207 4.441 4.640 0.013 0.000 0.227 659 D C 1.198 177.573 176.300 0.124 0.000 1.211 659 D CA 1.524 55.755 54.000 0.385 0.000 0.663 659 D CB -0.815 40.184 40.800 0.331 0.000 0.983 659 D HN 1.156 nan 8.370 nan 0.000 0.407 660 G N -0.263 108.537 108.800 0.001 0.000 2.225 660 G HA2 -0.356 3.612 3.960 0.013 0.000 0.254 660 G HA3 -0.356 3.612 3.960 0.013 0.000 0.254 660 G C 0.199 175.022 174.900 -0.128 0.000 0.988 660 G CA 0.530 45.514 45.100 -0.193 0.000 0.625 660 G HN 0.512 nan 8.290 nan 0.000 0.527 661 K N 1.906 122.287 120.400 -0.032 0.000 2.263 661 K HA 0.510 4.838 4.320 0.013 0.000 0.272 661 K C -2.808 173.789 176.600 -0.005 0.000 1.033 661 K CA -2.036 54.233 56.287 -0.029 0.000 0.884 661 K CB 2.139 34.638 32.500 -0.001 0.000 1.107 661 K HN 0.047 nan 8.250 nan 0.000 0.460 662 P HA 0.025 nan 4.420 nan 0.000 0.267 662 P C -0.099 177.202 177.300 0.002 0.000 1.205 662 P CA 0.055 63.142 63.100 -0.020 0.000 0.765 662 P CB 0.708 32.374 31.700 -0.057 0.000 0.828 663 L N 1.394 122.637 121.223 0.034 0.000 2.624 663 L HA 0.497 4.845 4.340 0.013 0.000 0.222 663 L C 0.918 177.821 176.870 0.056 0.000 1.046 663 L CA 0.272 55.141 54.840 0.048 0.000 0.872 663 L CB 0.152 42.256 42.059 0.075 0.000 1.190 663 L HN 0.362 nan 8.230 nan 0.000 0.487 664 A N -0.081 122.784 122.820 0.075 0.000 2.612 664 A HA 0.724 5.052 4.320 0.013 0.000 0.293 664 A C -0.936 176.566 177.584 -0.137 0.000 1.075 664 A CA 0.047 52.125 52.037 0.069 0.000 0.680 664 A CB 1.780 20.934 19.000 0.257 0.000 1.279 664 A HN 0.093 nan 8.150 nan 0.000 0.411 665 S N -0.657 114.715 115.700 -0.546 0.000 2.595 665 S HA 0.925 5.403 4.470 0.013 0.000 0.270 665 S C -0.330 173.386 174.600 -1.472 0.000 1.145 665 S CA 0.055 57.535 58.200 -1.199 0.000 0.825 665 S CB 0.978 63.823 63.200 -0.593 0.000 1.107 665 S HN 2.638 nan 8.310 nan 0.000 0.461 666 G N 0.121 107.780 108.800 -1.900 0.000 2.548 666 G HA2 0.643 4.611 3.960 0.013 0.000 0.301 666 G HA3 0.643 4.611 3.960 0.013 0.000 0.301 666 G C -2.308 172.191 174.900 -0.668 0.000 1.349 666 G CA -0.853 43.669 45.100 -0.962 0.000 0.792 666 G HN 0.846 nan 8.290 nan 0.000 0.481 667 E N -1.293 118.828 120.200 -0.132 0.000 2.317 667 E HA 0.677 5.035 4.350 0.013 0.000 0.270 667 E C -1.497 175.233 176.600 0.217 0.000 0.885 667 E CA -0.984 55.463 56.400 0.079 0.000 0.760 667 E CB 3.295 33.010 29.700 0.026 0.000 1.227 667 E HN 0.325 nan 8.360 nan 0.000 0.434 668 V N 2.078 122.141 119.914 0.247 0.000 2.777 668 V HA 0.335 4.463 4.120 0.013 0.000 0.306 668 V C -2.532 173.655 176.094 0.156 0.000 1.112 668 V CA -1.919 60.497 62.300 0.194 0.000 0.917 668 V CB 2.189 34.142 31.823 0.217 0.000 1.018 668 V HN 0.575 nan 8.190 nan 0.000 0.426 669 P HA 0.295 nan 4.420 nan 0.000 0.271 669 P C -0.773 176.579 177.300 0.085 0.000 1.218 669 P CA -0.109 63.050 63.100 0.098 0.000 0.780 669 P CB 0.673 32.425 31.700 0.087 0.000 0.901 670 L N 2.828 124.085 121.223 0.057 0.000 2.289 670 L HA 0.329 4.677 4.340 0.013 0.000 0.285 670 L C 0.393 177.306 176.870 0.071 0.000 1.049 670 L CA 0.070 54.925 54.840 0.024 0.000 0.804 670 L CB 0.865 42.866 42.059 -0.096 0.000 1.195 670 L HN 0.327 nan 8.230 nan 0.000 0.428 671 D N 3.485 123.942 120.400 0.095 0.000 2.468 671 D HA 0.217 4.865 4.640 0.013 0.000 0.272 671 D C -1.396 174.950 176.300 0.078 0.000 1.221 671 D CA -0.057 54.080 54.000 0.229 0.000 0.860 671 D CB 1.284 42.227 40.800 0.238 0.000 1.190 671 D HN 0.100 nan 8.370 nan 0.000 0.509 672 V N 1.907 121.685 119.914 -0.228 0.000 2.448 672 V HA 0.834 4.963 4.120 0.013 0.000 0.295 672 V C 0.023 175.807 176.094 -0.517 0.000 1.025 672 V CA -0.503 61.671 62.300 -0.210 0.000 0.859 672 V CB 1.294 33.124 31.823 0.012 0.000 0.988 672 V HN 0.530 nan 8.190 nan 0.000 0.431 673 A N 9.155 131.822 122.820 -0.256 0.000 2.366 673 A HA 0.652 4.981 4.320 0.013 0.000 0.249 673 A C -2.387 175.173 177.584 -0.040 0.000 1.084 673 A CA -1.225 50.756 52.037 -0.093 0.000 0.794 673 A CB -0.122 18.922 19.000 0.072 0.000 1.034 673 A HN 0.745 nan 8.150 nan 0.000 0.491 674 P HA 0.023 nan 4.420 nan 0.000 0.264 674 P C -0.452 176.836 177.300 -0.021 0.000 1.193 674 P CA 0.555 63.657 63.100 0.002 0.000 0.763 674 P CB 0.690 32.379 31.700 -0.018 0.000 0.810 675 Q N -0.992 118.786 119.800 -0.036 0.000 2.362 675 Q HA -0.160 4.188 4.340 0.013 0.000 0.220 675 Q C 0.784 176.773 176.000 -0.018 0.000 0.713 675 Q CA 1.772 57.547 55.803 -0.046 0.000 1.345 675 Q CB -2.466 26.238 28.738 -0.055 0.000 1.570 675 Q HN 0.776 nan 8.270 nan 0.000 0.701 676 G N 0.234 109.034 108.800 -0.000 0.000 2.557 676 G HA2 0.518 4.486 3.960 0.013 0.000 0.292 676 G HA3 0.518 4.486 3.960 0.013 0.000 0.292 676 G C -0.226 174.688 174.900 0.024 0.000 1.237 676 G CA -0.447 44.661 45.100 0.014 0.000 0.978 676 G HN 0.004 nan 8.290 nan 0.000 0.498 677 K N -0.918 119.500 120.400 0.030 0.000 2.395 677 K HA 0.533 4.861 4.320 0.013 0.000 0.247 677 K C -0.758 175.869 176.600 0.045 0.000 0.973 677 K CA -0.589 55.721 56.287 0.038 0.000 0.828 677 K CB 2.431 34.949 32.500 0.030 0.000 1.272 677 K HN 0.533 nan 8.250 nan 0.000 0.439 678 Q N 2.549 122.381 119.800 0.053 0.000 2.289 678 Q HA 0.367 4.715 4.340 0.013 0.000 0.270 678 Q C -1.719 174.315 176.000 0.057 0.000 1.038 678 Q CA -0.609 55.228 55.803 0.056 0.000 0.812 678 Q CB 1.293 30.067 28.738 0.061 0.000 1.300 678 Q HN 0.519 nan 8.270 nan 0.000 0.427 679 L N 5.226 126.474 121.223 0.043 0.000 2.275 679 L HA 0.544 4.892 4.340 0.013 0.000 0.288 679 L C -0.503 176.381 176.870 0.023 0.000 1.046 679 L CA -0.613 54.244 54.840 0.028 0.000 0.805 679 L CB 1.175 43.242 42.059 0.013 0.000 1.193 679 L HN 0.609 nan 8.230 nan 0.000 0.426 680 I N 3.755 124.334 120.570 0.014 0.000 2.411 680 I HA 0.175 4.353 4.170 0.013 0.000 0.284 680 I C -0.330 175.751 176.117 -0.059 0.000 1.012 680 I CA -0.704 60.595 61.300 -0.002 0.000 1.119 680 I CB 1.637 39.654 38.000 0.027 0.000 1.261 680 I HN 0.523 nan 8.210 nan 0.000 0.448 681 E N 7.724 127.886 120.200 -0.063 0.000 2.129 681 E HA 0.279 4.637 4.350 0.013 0.000 0.283 681 E C -0.295 176.212 176.600 -0.155 0.000 1.080 681 E CA -0.366 55.975 56.400 -0.099 0.000 0.867 681 E CB 1.058 30.715 29.700 -0.071 0.000 1.056 681 E HN 0.526 nan 8.360 nan 0.000 0.404 682 L N 5.089 126.166 121.223 -0.244 0.000 2.456 682 L HA 0.114 4.462 4.340 0.013 0.000 0.272 682 L C -1.730 174.989 176.870 -0.253 0.000 1.189 682 L CA -1.553 53.056 54.840 -0.385 0.000 0.846 682 L CB 0.081 41.789 42.059 -0.585 0.000 1.111 682 L HN 0.211 nan 8.230 nan 0.000 0.475 683 P HA -0.028 nan 4.420 nan 0.000 0.272 683 P C -0.595 176.650 177.300 -0.092 0.000 1.230 683 P CA -0.394 62.655 63.100 -0.085 0.000 0.788 683 P CB 0.395 32.108 31.700 0.022 0.000 0.949 684 E N 2.395 122.570 120.200 -0.041 0.000 2.529 684 E HA -0.030 4.328 4.350 0.013 0.000 0.259 684 E C -0.901 175.691 176.600 -0.015 0.000 0.966 684 E CA 0.350 56.729 56.400 -0.035 0.000 0.937 684 E CB 0.031 29.721 29.700 -0.016 0.000 0.923 684 E HN 0.305 nan 8.360 nan 0.000 0.468 685 L N 4.793 125.998 121.223 -0.030 0.000 2.332 685 L HA 0.485 4.833 4.340 0.013 0.000 0.269 685 L C -1.930 174.955 176.870 0.025 0.000 1.016 685 L CA -2.519 52.324 54.840 0.004 0.000 0.809 685 L CB 0.961 43.001 42.059 -0.032 0.000 1.280 685 L HN 0.528 nan 8.230 nan 0.000 0.447 686 P HA 0.062 nan 4.420 nan 0.000 0.268 686 P C -1.453 175.864 177.300 0.028 0.000 1.204 686 P CA -0.197 62.931 63.100 0.048 0.000 0.768 686 P CB 0.413 32.154 31.700 0.068 0.000 0.842 687 Q N 2.547 122.359 119.800 0.020 0.000 2.558 687 Q HA 0.467 4.815 4.340 0.013 0.000 0.252 687 Q C -2.647 173.361 176.000 0.013 0.000 1.015 687 Q CA -1.931 53.878 55.803 0.010 0.000 0.720 687 Q CB 0.655 29.393 28.738 0.000 0.000 1.215 687 Q HN 0.265 nan 8.270 nan 0.000 0.500 688 P HA 0.251 nan 4.420 nan 0.000 0.286 688 P C -0.283 177.024 177.300 0.012 0.000 1.269 688 P CA -0.326 62.784 63.100 0.018 0.000 0.787 688 P CB 1.320 33.035 31.700 0.026 0.000 0.920 689 E N -0.098 120.109 120.200 0.012 0.000 2.442 689 E HA -0.001 4.357 4.350 0.013 0.000 0.195 689 E C 0.685 177.292 176.600 0.012 0.000 1.030 689 E CA 0.096 56.502 56.400 0.009 0.000 0.869 689 E CB 0.204 29.908 29.700 0.008 0.000 0.857 689 E HN 0.370 nan 8.360 nan 0.000 0.505 690 S N 0.776 116.486 115.700 0.017 0.000 2.560 690 S HA 0.313 4.791 4.470 0.013 0.000 0.284 690 S C 0.235 174.849 174.600 0.024 0.000 1.327 690 S CA -0.469 57.744 58.200 0.022 0.000 1.055 690 S CB 0.578 63.794 63.200 0.027 0.000 0.868 690 S HN 0.235 nan 8.310 nan 0.000 0.506 691 A N 3.299 126.135 122.820 0.027 0.000 2.425 691 A HA 0.676 5.004 4.320 0.013 0.000 0.242 691 A C 0.933 178.540 177.584 0.038 0.000 1.077 691 A CA 0.335 52.388 52.037 0.028 0.000 0.781 691 A CB -0.613 18.407 19.000 0.032 0.000 1.020 691 A HN 1.981 nan 8.150 nan 0.000 0.494 692 G N -0.555 108.264 108.800 0.031 0.000 2.351 692 G HA2 0.444 4.412 3.960 0.013 0.000 0.353 692 G HA3 0.444 4.412 3.960 0.013 0.000 0.353 692 G C -1.102 173.799 174.900 0.002 0.000 1.358 692 G CA -0.204 44.925 45.100 0.049 0.000 0.995 692 G HN 1.178 nan 8.290 nan 0.000 0.611 693 Q N -0.201 119.598 119.800 -0.002 0.000 2.290 693 Q HA 0.730 5.078 4.340 0.013 0.000 0.259 693 Q C -0.202 175.694 176.000 -0.172 0.000 0.941 693 Q CA -0.619 55.076 55.803 -0.180 0.000 0.912 693 Q CB 1.314 29.863 28.738 -0.316 0.000 1.244 693 Q HN 0.611 nan 8.270 nan 0.000 0.441 694 L N 4.304 125.386 121.223 -0.235 0.000 2.350 694 L HA 0.489 4.837 4.340 0.013 0.000 0.275 694 L C -0.916 175.783 176.870 -0.284 0.000 1.099 694 L CA -0.342 54.434 54.840 -0.107 0.000 0.808 694 L CB 0.673 42.703 42.059 -0.049 0.000 1.149 694 L HN 0.765 nan 8.230 nan 0.000 0.442 695 W N 3.935 125.291 121.300 0.093 0.000 3.032 695 W HA 0.486 5.154 4.660 0.013 0.000 0.335 695 W C -1.059 175.561 176.519 0.169 0.000 1.154 695 W CA -0.542 56.882 57.345 0.132 0.000 1.204 695 W CB 1.625 31.172 29.460 0.144 0.000 1.416 695 W HN 0.086 nan 8.180 nan 0.000 0.521 696 L N 2.638 124.155 121.223 0.490 0.000 2.325 696 L HA 0.775 5.123 4.340 0.013 0.000 0.281 696 L C -0.535 176.636 176.870 0.501 0.000 1.004 696 L CA -0.001 55.106 54.840 0.445 0.000 0.823 696 L CB 1.325 43.614 42.059 0.383 0.000 1.236 696 L HN 0.351 nan 8.230 nan 0.000 0.415 697 T N 5.007 119.793 114.554 0.387 0.000 2.807 697 T HA 0.683 5.041 4.350 0.013 0.000 0.279 697 T C -0.623 174.251 174.700 0.290 0.000 0.993 697 T CA -0.460 61.812 62.100 0.286 0.000 0.970 697 T CB 1.565 70.534 68.868 0.169 0.000 0.950 697 T HN 0.597 nan 8.240 nan 0.000 0.441 698 V N 1.509 121.553 119.914 0.217 0.000 2.680 698 V HA 0.829 4.957 4.120 0.013 0.000 0.309 698 V C -0.802 175.347 176.094 0.093 0.000 1.052 698 V CA -1.176 61.224 62.300 0.166 0.000 0.908 698 V CB 1.854 33.739 31.823 0.102 0.000 1.001 698 V HN 0.829 nan 8.190 nan 0.000 0.431 699 R N 2.507 123.087 120.500 0.134 0.000 2.574 699 R HA 0.737 5.085 4.340 0.013 0.000 0.288 699 R C -1.604 174.758 176.300 0.102 0.000 1.004 699 R CA -0.759 55.427 56.100 0.144 0.000 0.895 699 R CB 2.643 32.994 30.300 0.084 0.000 1.191 699 R HN 0.686 nan 8.270 nan 0.000 0.444 700 V N 3.912 123.927 119.914 0.167 0.000 2.383 700 V HA 0.323 4.451 4.120 0.013 0.000 0.275 700 V C -0.051 176.065 176.094 0.037 0.000 1.036 700 V CA -0.559 61.802 62.300 0.101 0.000 0.889 700 V CB 1.523 33.439 31.823 0.154 0.000 0.985 700 V HN 0.441 nan 8.190 nan 0.000 0.459 701 V N 5.062 124.924 119.914 -0.087 0.000 2.715 701 V HA 0.416 4.544 4.120 0.013 0.000 0.310 701 V C -0.236 175.852 176.094 -0.011 0.000 1.054 701 V CA -0.776 61.456 62.300 -0.114 0.000 0.928 701 V CB 2.060 33.652 31.823 -0.386 0.000 1.007 701 V HN 0.886 nan 8.190 nan 0.000 0.437 702 Q N 5.028 124.861 119.800 0.055 0.000 2.398 702 Q HA 0.284 4.632 4.340 0.013 0.000 0.251 702 Q C -1.776 174.243 176.000 0.032 0.000 0.999 702 Q CA -1.765 54.082 55.803 0.073 0.000 0.874 702 Q CB 1.921 30.728 28.738 0.115 0.000 1.215 702 Q HN 0.478 nan 8.270 nan 0.000 0.470 703 P HA -0.146 nan 4.420 nan 0.000 0.219 703 P C -0.525 176.778 177.300 0.005 0.000 1.150 703 P CA 1.008 64.121 63.100 0.023 0.000 0.814 703 P CB 0.388 32.110 31.700 0.036 0.000 0.787 704 N N -0.382 118.312 118.700 -0.009 0.000 2.473 704 N HA 0.434 5.182 4.740 0.013 0.000 0.291 704 N C -0.194 175.267 175.510 -0.082 0.000 1.083 704 N CA -0.653 52.377 53.050 -0.034 0.000 0.951 704 N CB 1.043 39.513 38.487 -0.029 0.000 1.164 704 N HN -0.039 nan 8.380 nan 0.000 0.480 705 A N 0.941 123.705 122.820 -0.094 0.000 2.406 705 A HA 0.450 4.778 4.320 0.013 0.000 0.243 705 A C 0.627 178.086 177.584 -0.208 0.000 1.082 705 A CA -0.015 51.928 52.037 -0.157 0.000 0.786 705 A CB 0.056 18.991 19.000 -0.109 0.000 1.029 705 A HN 0.712 nan 8.150 nan 0.000 0.495 706 T N -3.239 111.106 114.554 -0.347 0.000 2.693 706 T HA 0.628 4.986 4.350 0.013 0.000 0.278 706 T C 0.902 175.436 174.700 -0.278 0.000 0.994 706 T CA 0.072 61.954 62.100 -0.363 0.000 1.033 706 T CB 1.040 69.470 68.868 -0.730 0.000 1.342 706 T HN 1.352 nan 8.240 nan 0.000 0.538 707 A N -0.209 122.534 122.820 -0.129 0.000 2.168 707 A HA 0.160 4.488 4.320 0.013 0.000 0.215 707 A C 1.497 179.208 177.584 0.212 0.000 1.152 707 A CA 0.751 52.826 52.037 0.064 0.000 0.716 707 A CB -0.842 18.241 19.000 0.138 0.000 0.794 707 A HN 0.890 nan 8.150 nan 0.000 0.465 708 W N -0.700 120.667 121.300 0.112 0.000 2.702 708 W HA 0.437 5.106 4.660 0.015 0.000 0.369 708 W C -0.347 176.137 176.519 -0.059 0.000 0.987 708 W CA 0.400 57.771 57.345 0.044 0.000 1.702 708 W CB -1.003 28.470 29.460 0.022 0.000 1.138 708 W HN 0.386 nan 8.180 nan 0.000 0.552 709 S N -0.398 114.888 115.700 -0.690 0.000 2.547 709 S HA 0.424 4.902 4.470 0.013 0.000 0.270 709 S C -1.258 173.109 174.600 -0.388 0.000 1.150 709 S CA -0.717 57.091 58.200 -0.653 0.000 0.850 709 S CB 2.846 65.303 63.200 -1.238 0.000 1.118 709 S HN 0.111 nan 8.310 nan 0.000 0.461 710 E N 0.525 120.607 120.200 -0.197 0.000 2.318 710 E HA 0.627 4.985 4.350 0.013 0.000 0.265 710 E C 0.276 176.837 176.600 -0.065 0.000 1.069 710 E CA -0.722 55.622 56.400 -0.094 0.000 0.893 710 E CB 1.212 30.904 29.700 -0.014 0.000 1.076 710 E HN 0.899 nan 8.360 nan 0.000 0.414 711 A N 1.109 123.903 122.820 -0.045 0.000 2.498 711 A HA 0.394 4.722 4.320 0.013 0.000 0.239 711 A C 1.087 178.682 177.584 0.017 0.000 1.068 711 A CA 0.772 52.797 52.037 -0.020 0.000 0.766 711 A CB -0.386 18.607 19.000 -0.013 0.000 1.003 711 A HN 0.846 nan 8.150 nan 0.000 0.497 712 G N 0.476 109.294 108.800 0.030 0.000 2.195 712 G HA2 -0.248 3.721 3.960 0.013 0.000 0.246 712 G HA3 -0.248 3.721 3.960 0.013 0.000 0.246 712 G C 0.292 175.227 174.900 0.059 0.000 0.984 712 G CA 0.670 45.792 45.100 0.037 0.000 0.633 712 G HN 1.769 nan 8.290 nan 0.000 0.525 713 H N 0.870 119.934 119.070 -0.009 0.000 3.094 713 H HA 0.403 4.967 4.556 0.013 0.000 0.320 713 H C 0.695 176.071 175.328 0.080 0.000 1.000 713 H CA 0.506 56.575 56.048 0.034 0.000 1.413 713 H CB 0.130 29.897 29.762 0.009 0.000 1.405 713 H HN 0.321 nan 8.280 nan 0.000 0.586 714 I N 4.646 124.971 120.570 -0.408 0.000 2.315 714 I HA 0.041 4.219 4.170 0.013 0.000 0.291 714 I C 0.811 176.748 176.117 -0.301 0.000 1.006 714 I CA 0.064 61.235 61.300 -0.216 0.000 1.265 714 I CB 1.444 39.385 38.000 -0.099 0.000 1.387 714 I HN 0.784 nan 8.210 nan 0.000 0.475 715 S N 4.132 119.870 115.700 0.064 0.000 2.523 715 S HA 0.599 5.077 4.470 0.013 0.000 0.217 715 S C 0.357 175.195 174.600 0.396 0.000 0.996 715 S CA -0.122 58.258 58.200 0.300 0.000 0.921 715 S CB 0.612 64.119 63.200 0.512 0.000 0.829 715 S HN 0.697 nan 8.310 nan 0.000 0.495 716 A N 0.634 123.721 122.820 0.445 0.000 2.599 716 A HA 0.660 4.989 4.320 0.013 0.000 0.294 716 A C -1.838 176.079 177.584 0.555 0.000 1.055 716 A CA -0.908 51.383 52.037 0.423 0.000 0.683 716 A CB 0.386 19.699 19.000 0.521 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.412 717 W N -0.004 121.458 121.300 0.271 0.000 3.074 717 W HA 0.812 5.480 4.660 0.015 0.000 0.332 717 W C -1.212 175.327 176.519 0.033 0.000 1.253 717 W CA -0.653 56.734 57.345 0.069 0.000 1.180 717 W CB 1.315 30.780 29.460 0.009 0.000 1.445 717 W HN 0.968 nan 8.180 nan 0.000 0.573 718 Q N 1.657 121.453 119.800 -0.006 0.000 2.386 718 Q HA 0.368 4.716 4.340 0.013 0.000 0.274 718 Q C -1.850 173.924 176.000 -0.376 0.000 1.011 718 Q CA -0.557 55.065 55.803 -0.302 0.000 0.867 718 Q CB 2.566 30.878 28.738 -0.709 0.000 1.409 718 Q HN 0.645 nan 8.270 nan 0.000 0.395 719 Q N 2.814 122.377 119.800 -0.395 0.000 2.372 719 Q HA 0.668 5.017 4.340 0.013 0.000 0.273 719 Q C -1.459 174.442 176.000 -0.165 0.000 1.078 719 Q CA -0.520 55.224 55.803 -0.099 0.000 0.806 719 Q CB 1.421 30.228 28.738 0.116 0.000 1.332 719 Q HN 0.664 nan 8.270 nan 0.000 0.435 720 W N 2.625 124.100 121.300 0.292 0.000 2.936 720 W HA 0.506 5.174 4.660 0.013 0.000 0.338 720 W C -0.321 176.301 176.519 0.171 0.000 1.121 720 W CA -0.768 56.709 57.345 0.220 0.000 1.209 720 W CB 1.883 31.412 29.460 0.115 0.000 1.420 720 W HN 0.588 nan 8.180 nan 0.000 0.516 721 R N 1.555 122.155 120.500 0.167 0.000 2.441 721 R HA 0.467 4.815 4.340 0.013 0.000 0.284 721 R C 0.523 176.750 176.300 -0.122 0.000 1.070 721 R CA -0.238 55.669 56.100 -0.322 0.000 1.047 721 R CB 1.096 31.125 30.300 -0.453 0.000 1.016 721 R HN 0.300 nan 8.270 nan 0.000 0.477 722 L N 1.064 122.176 121.223 -0.186 0.000 2.793 722 L HA 0.529 4.877 4.340 0.013 0.000 0.188 722 L C 0.616 177.393 176.870 -0.155 0.000 1.949 722 L CA -1.061 53.711 54.840 -0.114 0.000 2.556 722 L CB -0.095 41.928 42.059 -0.061 0.000 2.898 722 L HN 0.597 nan 8.230 nan 0.000 0.621 723 A N 0.222 122.975 122.820 -0.113 0.000 2.425 723 A HA 0.203 4.531 4.320 0.013 0.000 0.242 723 A C -0.302 177.202 177.584 -0.133 0.000 1.077 723 A CA 0.166 52.141 52.037 -0.104 0.000 0.781 723 A CB 0.153 19.113 19.000 -0.067 0.000 1.020 723 A HN 0.619 nan 8.150 nan 0.000 0.494 724 E N 0.898 121.029 120.200 -0.114 0.000 2.210 724 E HA 0.308 4.666 4.350 0.013 0.000 0.266 724 E C -1.370 175.194 176.600 -0.061 0.000 0.883 724 E CA -0.684 55.650 56.400 -0.110 0.000 0.761 724 E CB 0.809 30.436 29.700 -0.121 0.000 1.156 724 E HN 0.681 nan 8.360 nan 0.000 0.412 725 N N 5.100 123.775 118.700 -0.040 0.000 2.518 725 N HA 0.260 5.008 4.740 0.013 0.000 0.254 725 N C -0.556 174.949 175.510 -0.008 0.000 0.979 725 N CA -0.339 52.700 53.050 -0.019 0.000 0.930 725 N CB 1.161 39.644 38.487 -0.008 0.000 1.152 725 N HN 0.483 nan 8.380 nan 0.000 0.505 726 L N 0.832 122.051 121.223 -0.006 0.000 2.456 726 L HA 0.095 4.443 4.340 0.013 0.000 0.272 726 L C 1.276 178.154 176.870 0.014 0.000 1.189 726 L CA 0.131 54.974 54.840 0.005 0.000 0.846 726 L CB 0.516 42.578 42.059 0.005 0.000 1.111 726 L HN 0.378 nan 8.230 nan 0.000 0.475 727 S N 1.785 117.499 115.700 0.023 0.000 2.523 727 S HA 0.307 4.785 4.470 0.013 0.000 0.275 727 S C 0.435 175.049 174.600 0.024 0.000 1.281 727 S CA -0.771 57.444 58.200 0.026 0.000 1.050 727 S CB 1.075 64.297 63.200 0.036 0.000 0.937 727 S HN 0.468 nan 8.310 nan 0.000 0.492 728 V N 2.087 122.013 119.914 0.020 0.000 3.253 728 V HA 0.371 4.499 4.120 0.013 0.000 0.320 728 V C 0.503 176.607 176.094 0.017 0.000 1.442 728 V CA 0.144 62.454 62.300 0.018 0.000 1.097 728 V CB -0.546 31.285 31.823 0.013 0.000 1.008 728 V HN 0.864 nan 8.190 nan 0.000 0.463 729 T N 0.801 115.367 114.554 0.020 0.000 2.817 729 T HA 0.713 5.071 4.350 0.013 0.000 0.293 729 T C -0.245 174.467 174.700 0.020 0.000 0.964 729 T CA -0.464 61.647 62.100 0.018 0.000 1.085 729 T CB 1.423 70.302 68.868 0.019 0.000 0.921 729 T HN 0.213 nan 8.240 nan 0.000 0.502 730 L N 4.282 125.514 121.223 0.015 0.000 2.439 730 L HA 0.403 4.751 4.340 0.013 0.000 0.269 730 L C -1.479 175.400 176.870 0.014 0.000 1.179 730 L CA -1.391 53.457 54.840 0.014 0.000 0.828 730 L CB -1.006 41.057 42.059 0.008 0.000 1.106 730 L HN 0.557 nan 8.230 nan 0.000 0.467 731 P HA 0.282 nan 4.420 nan 0.000 0.273 731 P C -0.485 176.817 177.300 0.004 0.000 1.250 731 P CA -0.682 62.427 63.100 0.015 0.000 0.793 731 P CB 0.291 32.003 31.700 0.020 0.000 1.011 732 A N 0.593 123.418 122.820 0.009 0.000 2.641 732 A HA 0.152 4.480 4.320 0.013 0.000 0.239 732 A C 1.660 179.226 177.584 -0.031 0.000 1.123 732 A CA 0.886 52.925 52.037 0.004 0.000 0.822 732 A CB -0.810 18.203 19.000 0.022 0.000 1.050 732 A HN 0.629 nan 8.150 nan 0.000 0.520 733 A N 0.231 123.023 122.820 -0.047 0.000 1.854 733 A HA 0.364 4.692 4.320 0.013 0.000 0.214 733 A C 1.271 178.720 177.584 -0.225 0.000 1.192 733 A CA 1.802 53.781 52.037 -0.097 0.000 0.611 733 A CB -0.772 18.200 19.000 -0.046 0.000 0.832 733 A HN 2.714 nan 8.150 nan 0.000 0.442 734 S N -1.089 114.298 115.700 -0.521 0.000 3.600 734 S HA -0.133 4.345 4.470 0.013 0.000 0.695 734 S C 0.375 174.637 174.600 -0.564 0.000 0.535 734 S CA 0.916 58.674 58.200 -0.737 0.000 1.453 734 S CB -1.811 61.171 63.200 -0.363 0.000 0.928 734 S HN 0.799 nan 8.310 nan 0.000 1.029 735 H N 3.293 122.372 119.070 0.014 0.000 2.261 735 H HA 0.439 5.003 4.556 0.013 0.000 0.301 735 H C 1.745 177.079 175.328 0.009 0.000 1.067 735 H CA 0.854 56.909 56.048 0.012 0.000 1.297 735 H CB -0.782 28.990 29.762 0.017 0.000 1.377 735 H HN 0.986 nan 8.280 nan 0.000 0.492 736 A N 1.314 124.231 122.820 0.162 0.000 2.504 736 A HA 0.312 4.640 4.320 0.013 0.000 0.242 736 A C 0.222 177.816 177.584 0.017 0.000 1.100 736 A CA 0.443 52.544 52.037 0.107 0.000 0.786 736 A CB -0.383 18.716 19.000 0.165 0.000 1.050 736 A HN 0.539 nan 8.150 nan 0.000 0.512 737 I N -0.128 120.444 120.570 0.003 0.000 2.649 737 I HA 0.550 4.728 4.170 0.013 0.000 0.289 737 I C -2.885 173.179 176.117 -0.089 0.000 1.222 737 I CA -1.924 59.336 61.300 -0.066 0.000 1.046 737 I CB 2.479 40.419 38.000 -0.099 0.000 1.272 737 I HN 0.379 nan 8.210 nan 0.000 0.425 738 P HA 0.386 nan 4.420 nan 0.000 0.276 738 P C -1.571 175.643 177.300 -0.144 0.000 1.244 738 P CA -0.036 63.043 63.100 -0.035 0.000 0.801 738 P CB 0.431 32.109 31.700 -0.037 0.000 1.006 739 H N -0.071 119.028 119.070 0.048 0.000 2.457 739 H HA 0.495 5.059 4.556 0.013 0.000 0.335 739 H C -0.534 174.821 175.328 0.045 0.000 1.115 739 H CA -0.706 55.363 56.048 0.035 0.000 1.219 739 H CB 1.029 30.815 29.762 0.040 0.000 1.471 739 H HN 0.226 nan 8.280 nan 0.000 0.491 740 L N 2.611 123.918 121.223 0.140 0.000 2.307 740 L HA 0.473 4.821 4.340 0.013 0.000 0.282 740 L C -0.570 176.383 176.870 0.139 0.000 1.051 740 L CA 0.106 55.008 54.840 0.105 0.000 0.804 740 L CB 1.439 43.500 42.059 0.003 0.000 1.197 740 L HN 0.588 nan 8.230 nan 0.000 0.431 741 T N 3.553 118.201 114.554 0.158 0.000 2.841 741 T HA 0.550 4.908 4.350 0.013 0.000 0.285 741 T C -0.549 174.267 174.700 0.194 0.000 0.991 741 T CA -0.330 61.854 62.100 0.140 0.000 0.966 741 T CB 1.203 70.133 68.868 0.103 0.000 0.962 741 T HN 0.734 nan 8.240 nan 0.000 0.438 742 T N 2.784 117.446 114.554 0.180 0.000 2.855 742 T HA 0.752 5.110 4.350 0.013 0.000 0.281 742 T C -0.184 174.574 174.700 0.097 0.000 1.007 742 T CA -0.733 61.501 62.100 0.223 0.000 1.009 742 T CB 1.359 70.388 68.868 0.267 0.000 0.983 742 T HN 0.694 nan 8.240 nan 0.000 0.455 743 S N 0.707 116.422 115.700 0.025 0.000 2.651 743 S HA 0.429 4.907 4.470 0.013 0.000 0.279 743 S C 0.775 175.326 174.600 -0.081 0.000 1.148 743 S CA -0.866 57.325 58.200 -0.014 0.000 0.837 743 S CB 1.848 65.043 63.200 -0.007 0.000 1.138 743 S HN 0.748 nan 8.310 nan 0.000 0.478 744 E N -0.250 119.912 120.200 -0.064 0.000 2.204 744 E HA -0.163 4.195 4.350 0.013 0.000 0.195 744 E C 1.494 178.013 176.600 -0.135 0.000 0.990 744 E CA 1.228 57.575 56.400 -0.089 0.000 0.821 744 E CB -0.112 29.559 29.700 -0.048 0.000 0.750 744 E HN 0.665 nan 8.360 nan 0.000 0.477 745 M N 0.329 119.866 119.600 -0.106 0.000 2.435 745 M HA 0.094 4.582 4.480 0.013 0.000 0.265 745 M C -0.450 175.774 176.300 -0.127 0.000 1.104 745 M CA 0.836 56.080 55.300 -0.094 0.000 1.140 745 M CB 0.777 33.354 32.600 -0.037 0.000 1.372 745 M HN -0.164 nan 8.290 nan 0.000 0.456 746 D N -1.557 118.752 120.400 -0.153 0.000 2.583 746 D HA 0.281 4.929 4.640 0.013 0.000 0.248 746 D C -1.506 174.689 176.300 -0.176 0.000 1.209 746 D CA -0.332 53.590 54.000 -0.130 0.000 0.848 746 D CB 1.480 42.301 40.800 0.036 0.000 1.431 746 D HN 0.003 nan 8.370 nan 0.000 0.436 747 F N 0.866 120.903 119.950 0.143 0.000 2.426 747 F HA 0.378 4.913 4.527 0.013 0.000 0.348 747 F C 0.077 176.012 175.800 0.226 0.000 1.124 747 F CA -0.745 57.337 58.000 0.138 0.000 1.008 747 F CB 1.370 40.417 39.000 0.078 0.000 1.139 747 F HN 0.045 nan 8.300 nan 0.000 0.452 748 C N 4.629 124.151 119.300 0.369 0.000 2.417 748 C HA 0.736 5.205 4.460 0.013 0.000 0.324 748 C C -0.334 174.832 174.990 0.294 0.000 1.240 748 C CA -0.815 58.395 59.018 0.321 0.000 1.632 748 C CB 0.864 28.726 27.740 0.203 0.000 2.241 748 C HN 0.546 nan 8.230 nan 0.000 0.499 749 I N 2.503 123.290 120.570 0.362 0.000 2.465 749 I HA 0.494 4.672 4.170 0.013 0.000 0.291 749 I C -0.132 176.256 176.117 0.451 0.000 1.014 749 I CA -0.084 61.411 61.300 0.326 0.000 1.093 749 I CB 1.407 39.558 38.000 0.251 0.000 1.267 749 I HN 0.653 nan 8.210 nan 0.000 0.431 750 E N 5.935 126.337 120.200 0.337 0.000 2.266 750 E HA 0.769 5.127 4.350 0.013 0.000 0.268 750 E C -1.840 174.957 176.600 0.329 0.000 0.879 750 E CA -0.873 55.716 56.400 0.316 0.000 0.762 750 E CB 2.334 32.131 29.700 0.162 0.000 1.199 750 E HN 0.555 nan 8.360 nan 0.000 0.422 751 L N 4.843 126.274 121.223 0.348 0.000 2.611 751 L HA 0.525 4.873 4.340 0.013 0.000 0.263 751 L C 0.051 177.037 176.870 0.194 0.000 0.969 751 L CA 0.664 55.679 54.840 0.291 0.000 0.894 751 L CB 1.242 43.503 42.059 0.337 0.000 1.229 751 L HN 0.825 nan 8.230 nan 0.000 0.416 752 G N 4.323 113.202 108.800 0.131 0.000 2.583 752 G HA2 -0.407 3.561 3.960 0.013 0.000 0.292 752 G HA3 -0.407 3.561 3.960 0.013 0.000 0.292 752 G C 0.462 175.381 174.900 0.031 0.000 1.203 752 G CA 0.558 45.703 45.100 0.075 0.000 0.987 752 G HN 1.263 nan 8.290 nan 0.000 0.554 753 N N 1.169 119.870 118.700 0.003 0.000 2.322 753 N HA 0.112 4.860 4.740 0.013 0.000 0.194 753 N C 0.437 175.905 175.510 -0.070 0.000 1.126 753 N CA 0.759 53.788 53.050 -0.035 0.000 0.845 753 N CB 0.258 38.722 38.487 -0.037 0.000 0.976 753 N HN 0.721 nan 8.380 nan 0.000 0.475 754 K N 0.918 121.274 120.400 -0.075 0.000 2.138 754 K HA 0.409 4.737 4.320 0.013 0.000 0.263 754 K C -0.122 176.329 176.600 -0.247 0.000 0.965 754 K CA -0.626 55.510 56.287 -0.252 0.000 0.868 754 K CB 1.508 33.801 32.500 -0.345 0.000 1.083 754 K HN 0.189 nan 8.250 nan 0.000 0.443 755 R N 2.162 122.445 120.500 -0.362 0.000 2.725 755 R HA 0.476 4.824 4.340 0.013 0.000 0.277 755 R C -1.072 175.181 176.300 -0.077 0.000 0.987 755 R CA -0.995 55.074 56.100 -0.051 0.000 0.901 755 R CB 1.732 32.012 30.300 -0.033 0.000 1.207 755 R HN 0.548 nan 8.270 nan 0.000 0.463 756 W N 1.405 122.852 121.300 0.244 0.000 2.998 756 W HA 0.332 5.000 4.660 0.013 0.000 0.335 756 W C -0.650 175.984 176.519 0.192 0.000 1.110 756 W CA -0.625 56.798 57.345 0.128 0.000 1.230 756 W CB 2.631 32.139 29.460 0.080 0.000 1.405 756 W HN 0.507 nan 8.180 nan 0.000 0.493 757 Q N 2.547 122.489 119.800 0.237 0.000 2.325 757 Q HA 0.439 4.788 4.340 0.013 0.000 0.270 757 Q C -1.858 174.087 176.000 -0.092 0.000 1.020 757 Q CA -0.488 55.434 55.803 0.200 0.000 0.785 757 Q CB 1.402 30.323 28.738 0.304 0.000 1.259 757 Q HN 0.345 nan 8.270 nan 0.000 0.452 758 F N 2.712 122.745 119.950 0.139 0.000 2.411 758 F HA 0.316 4.851 4.527 0.013 0.000 0.352 758 F C 0.580 176.400 175.800 0.034 0.000 1.123 758 F CA -0.872 57.173 58.000 0.075 0.000 1.044 758 F CB 1.248 40.300 39.000 0.085 0.000 1.135 758 F HN 0.481 nan 8.300 nan 0.000 0.461 759 N N 3.605 122.398 118.700 0.156 0.000 2.420 759 N HA 0.088 4.836 4.740 0.013 0.000 0.262 759 N C 0.791 176.309 175.510 0.013 0.000 1.144 759 N CA 0.017 53.111 53.050 0.072 0.000 0.952 759 N CB 0.711 39.250 38.487 0.087 0.000 1.081 759 N HN 0.676 nan 8.380 nan 0.000 0.480 760 R N 2.417 122.855 120.500 -0.103 0.000 2.276 760 R HA -0.047 4.301 4.340 0.013 0.000 0.203 760 R C 1.609 177.843 176.300 -0.110 0.000 1.017 760 R CA 0.601 56.595 56.100 -0.176 0.000 1.010 760 R CB 0.209 30.289 30.300 -0.367 0.000 0.900 760 R HN 0.651 nan 8.270 nan 0.000 0.469 761 Q N 0.426 120.189 119.800 -0.062 0.000 2.123 761 Q HA -0.062 4.286 4.340 0.013 0.000 0.196 761 Q C 1.838 177.823 176.000 -0.025 0.000 0.958 761 Q CA 1.602 57.381 55.803 -0.039 0.000 0.841 761 Q CB 0.329 29.063 28.738 -0.007 0.000 0.915 761 Q HN 0.309 nan 8.270 nan 0.000 0.455 762 S N -1.978 113.730 115.700 0.014 0.000 2.486 762 S HA 0.214 4.693 4.470 0.013 0.000 0.220 762 S C 1.384 175.890 174.600 -0.156 0.000 1.011 762 S CA 0.482 58.709 58.200 0.045 0.000 0.921 762 S CB 0.579 63.922 63.200 0.238 0.000 0.785 762 S HN 0.606 nan 8.310 nan 0.000 0.517 763 G N 0.567 109.289 108.800 -0.129 0.000 2.143 763 G HA2 -0.233 3.735 3.960 0.013 0.000 0.248 763 G HA3 -0.233 3.735 3.960 0.013 0.000 0.248 763 G C -0.134 174.695 174.900 -0.119 0.000 0.991 763 G CA 0.327 45.334 45.100 -0.155 0.000 0.689 763 G HN 0.542 nan 8.290 nan 0.000 0.522 764 F N -1.259 118.871 119.950 0.299 0.000 2.507 764 F HA 0.650 5.185 4.527 0.013 0.000 0.327 764 F C 0.567 176.392 175.800 0.042 0.000 1.068 764 F CA -1.477 56.657 58.000 0.224 0.000 0.965 764 F CB 1.435 40.522 39.000 0.145 0.000 1.192 764 F HN 0.012 nan 8.300 nan 0.000 0.476 765 L N 2.211 123.465 121.223 0.052 0.000 2.530 765 L HA 0.109 4.457 4.340 0.013 0.000 0.273 765 L C 1.074 177.829 176.870 -0.192 0.000 1.141 765 L CA 0.536 55.061 54.840 -0.524 0.000 0.905 765 L CB 0.344 42.070 42.059 -0.555 0.000 1.202 765 L HN 0.735 nan 8.230 nan 0.000 0.473 766 S N 2.701 118.283 115.700 -0.197 0.000 2.503 766 S HA 0.245 4.723 4.470 0.013 0.000 0.215 766 S C 0.563 175.031 174.600 -0.220 0.000 1.003 766 S CA 0.023 58.156 58.200 -0.111 0.000 0.910 766 S CB 0.128 63.317 63.200 -0.019 0.000 0.790 766 S HN 0.704 nan 8.310 nan 0.000 0.514 767 Q N -0.306 119.294 119.800 -0.334 0.000 2.578 767 Q HA 0.679 5.027 4.340 0.013 0.000 0.284 767 Q C -1.970 173.643 176.000 -0.645 0.000 0.960 767 Q CA -0.318 55.142 55.803 -0.572 0.000 0.809 767 Q CB 1.672 29.935 28.738 -0.792 0.000 1.462 767 Q HN 0.445 nan 8.270 nan 0.000 0.392 768 M N 1.315 120.415 119.600 -0.833 0.000 2.470 768 M HA 0.614 5.102 4.480 0.013 0.000 0.285 768 M C -1.604 174.297 176.300 -0.665 0.000 1.213 768 M CA -0.385 54.536 55.300 -0.632 0.000 0.901 768 M CB 2.223 34.464 32.600 -0.599 0.000 1.718 768 M HN 0.540 nan 8.290 nan 0.000 0.469 769 W N 2.463 123.540 121.300 -0.371 0.000 2.950 769 W HA 0.577 5.245 4.660 0.014 0.000 0.340 769 W C -1.512 174.821 176.519 -0.310 0.000 1.139 769 W CA -0.772 56.415 57.345 -0.263 0.000 1.188 769 W CB 1.827 31.173 29.460 -0.191 0.000 1.426 769 W HN 0.315 nan 8.180 nan 0.000 0.531 770 I N 2.119 122.702 120.570 0.023 0.000 2.382 770 I HA 0.484 4.662 4.170 0.013 0.000 0.285 770 I C 0.829 176.944 176.117 -0.003 0.000 1.007 770 I CA 0.017 61.278 61.300 -0.066 0.000 1.142 770 I CB 0.582 38.521 38.000 -0.102 0.000 1.289 770 I HN 0.709 nan 8.210 nan 0.000 0.453 771 G N 5.820 114.606 108.800 -0.023 0.000 2.566 771 G HA2 -0.334 3.634 3.960 0.013 0.000 0.280 771 G HA3 -0.334 3.634 3.960 0.013 0.000 0.280 771 G C 0.366 175.274 174.900 0.014 0.000 1.225 771 G CA 0.632 45.719 45.100 -0.023 0.000 0.966 771 G HN 0.647 nan 8.290 nan 0.000 0.560 772 D N 0.607 121.017 120.400 0.017 0.000 2.349 772 D HA 0.304 4.952 4.640 0.013 0.000 0.224 772 D C 1.013 177.426 176.300 0.187 0.000 1.029 772 D CA 0.924 54.960 54.000 0.059 0.000 0.879 772 D CB 0.232 41.041 40.800 0.016 0.000 0.906 772 D HN 0.555 nan 8.370 nan 0.000 0.528 773 K N 1.672 122.152 120.400 0.134 0.000 2.276 773 K HA 0.173 4.501 4.320 0.013 0.000 0.285 773 K C -0.497 176.128 176.600 0.041 0.000 1.062 773 K CA -0.524 55.815 56.287 0.086 0.000 0.918 773 K CB 0.585 33.091 32.500 0.010 0.000 1.055 773 K HN -0.219 nan 8.250 nan 0.000 0.477 774 K N 3.043 123.407 120.400 -0.061 0.000 2.382 774 K HA 0.035 4.363 4.320 0.013 0.000 0.275 774 K C 0.558 176.995 176.600 -0.271 0.000 1.009 774 K CA -0.024 56.032 56.287 -0.384 0.000 0.970 774 K CB 0.741 33.017 32.500 -0.373 0.000 0.934 774 K HN 0.575 nan 8.250 nan 0.000 0.479 775 Q N 1.470 121.066 119.800 -0.341 0.000 2.316 775 Q HA 0.195 4.543 4.340 0.013 0.000 0.235 775 Q C -0.120 175.803 176.000 -0.128 0.000 0.863 775 Q CA 0.342 56.058 55.803 -0.145 0.000 0.939 775 Q CB 0.656 29.352 28.738 -0.070 0.000 1.108 775 Q HN 0.490 nan 8.270 nan 0.000 0.522 776 L N 1.087 122.168 121.223 -0.238 0.000 2.346 776 L HA 0.382 4.730 4.340 0.013 0.000 0.276 776 L C 0.936 177.675 176.870 -0.218 0.000 1.006 776 L CA -0.347 54.370 54.840 -0.204 0.000 0.817 776 L CB 1.751 43.675 42.059 -0.225 0.000 1.272 776 L HN -0.060 nan 8.230 nan 0.000 0.421 777 L N 0.673 121.760 121.223 -0.227 0.000 2.354 777 L HA 0.188 4.536 4.340 0.013 0.000 0.212 777 L C 0.279 177.035 176.870 -0.190 0.000 1.091 777 L CA 0.779 55.495 54.840 -0.206 0.000 0.828 777 L CB 0.158 42.092 42.059 -0.208 0.000 0.973 777 L HN 0.594 nan 8.230 nan 0.000 0.461 778 T N -0.044 114.360 114.554 -0.249 0.000 2.886 778 T HA 0.404 4.762 4.350 0.013 0.000 0.292 778 T C -2.541 172.071 174.700 -0.146 0.000 1.012 778 T CA -1.216 60.786 62.100 -0.163 0.000 0.982 778 T CB 2.401 71.153 68.868 -0.192 0.000 1.018 778 T HN -0.267 nan 8.240 nan 0.000 0.451 779 P HA 0.110 nan 4.420 nan 0.000 0.270 779 P C -0.628 176.632 177.300 -0.066 0.000 1.221 779 P CA -0.642 62.421 63.100 -0.062 0.000 0.788 779 P CB 0.422 32.119 31.700 -0.005 0.000 0.904 780 L N 2.812 124.034 121.223 -0.002 0.000 2.283 780 L HA 0.301 4.649 4.340 0.013 0.000 0.287 780 L C 0.061 176.903 176.870 -0.047 0.000 1.073 780 L CA 0.457 55.331 54.840 0.056 0.000 0.822 780 L CB -0.372 41.829 42.059 0.236 0.000 1.186 780 L HN 0.253 nan 8.230 nan 0.000 0.436 781 R N 2.939 123.306 120.500 -0.221 0.000 2.807 781 R HA 0.434 4.782 4.340 0.013 0.000 0.276 781 R C -0.942 175.214 176.300 -0.241 0.000 0.979 781 R CA -1.062 54.711 56.100 -0.545 0.000 0.928 781 R CB 1.382 31.240 30.300 -0.738 0.000 1.191 781 R HN 0.580 nan 8.270 nan 0.000 0.471 782 D N 1.349 121.682 120.400 -0.112 0.000 2.400 782 D HA 0.001 4.649 4.640 0.013 0.000 0.238 782 D C -0.363 175.584 176.300 -0.589 0.000 1.157 782 D CA 0.640 54.459 54.000 -0.303 0.000 0.889 782 D CB 0.632 41.265 40.800 -0.278 0.000 1.199 782 D HN 0.196 nan 8.370 nan 0.000 0.436 783 Q N 1.174 120.427 119.800 -0.912 0.000 2.285 783 Q HA 0.320 4.668 4.340 0.013 0.000 0.269 783 Q C -1.100 174.172 176.000 -1.213 0.000 1.030 783 Q CA -0.553 54.752 55.803 -0.831 0.000 0.788 783 Q CB 0.793 29.252 28.738 -0.465 0.000 1.266 783 Q HN 0.553 nan 8.270 nan 0.000 0.438 784 F N 0.362 119.915 119.950 -0.661 0.000 2.706 784 F HA 0.179 4.714 4.527 0.013 0.000 0.308 784 F C 0.850 176.192 175.800 -0.764 0.000 1.095 784 F CA -0.159 57.321 58.000 -0.868 0.000 1.244 784 F CB 1.385 39.481 39.000 -1.507 0.000 1.063 784 F HN 0.413 nan 8.300 nan 0.000 0.582 785 T N -0.530 113.694 114.554 -0.551 0.000 2.926 785 T HA 0.754 5.112 4.350 0.013 0.000 0.289 785 T C -0.490 173.948 174.700 -0.438 0.000 1.054 785 T CA -0.974 60.737 62.100 -0.648 0.000 1.015 785 T CB 2.597 71.005 68.868 -0.765 0.000 1.167 785 T HN 0.232 nan 8.240 nan 0.000 0.526 786 R N -0.175 120.113 120.500 -0.353 0.000 2.837 786 R HA 0.769 5.117 4.340 0.013 0.000 0.271 786 R C -0.799 175.552 176.300 0.084 0.000 0.993 786 R CA -1.255 54.769 56.100 -0.125 0.000 0.931 786 R CB 1.508 31.737 30.300 -0.119 0.000 1.206 786 R HN 0.794 nan 8.270 nan 0.000 0.474 787 A N 3.442 126.298 122.820 0.060 0.000 2.476 787 A HA 0.267 4.596 4.320 0.013 0.000 0.275 787 A C -1.965 175.683 177.584 0.105 0.000 1.133 787 A CA -1.295 50.776 52.037 0.056 0.000 0.797 787 A CB -0.514 18.466 19.000 -0.033 0.000 1.081 787 A HN 0.559 nan 8.150 nan 0.000 0.510 788 P HA 0.076 nan 4.420 nan 0.000 0.264 788 P C -0.186 177.226 177.300 0.187 0.000 1.183 788 P CA 0.417 63.673 63.100 0.259 0.000 0.763 788 P CB 0.404 32.295 31.700 0.319 0.000 0.807 789 L N 2.486 123.785 121.223 0.128 0.000 2.475 789 L HA 0.142 4.490 4.340 0.013 0.000 0.253 789 L C 1.907 178.790 176.870 0.023 0.000 1.198 789 L CA -0.444 54.410 54.840 0.022 0.000 0.814 789 L CB -0.078 41.927 42.059 -0.090 0.000 1.134 789 L HN 0.305 nan 8.230 nan 0.000 0.478 790 D N 0.384 120.736 120.400 -0.079 0.000 2.133 790 D HA -0.169 4.479 4.640 0.013 0.000 0.195 790 D C 1.598 177.820 176.300 -0.130 0.000 0.997 790 D CA 1.457 55.329 54.000 -0.214 0.000 0.840 790 D CB 0.004 40.596 40.800 -0.346 0.000 0.947 790 D HN 0.472 nan 8.370 nan 0.000 0.452 791 N N 0.979 119.622 118.700 -0.096 0.000 2.381 791 N HA -0.103 4.645 4.740 0.013 0.000 0.182 791 N C 1.073 176.596 175.510 0.022 0.000 1.025 791 N CA 0.657 53.682 53.050 -0.042 0.000 0.888 791 N CB -0.091 38.365 38.487 -0.052 0.000 0.965 791 N HN 0.271 nan 8.380 nan 0.000 0.438 792 D N 0.170 120.597 120.400 0.045 0.000 2.249 792 D HA 0.088 4.736 4.640 0.013 0.000 0.205 792 D C 1.916 178.259 176.300 0.072 0.000 0.962 792 D CA 0.309 54.367 54.000 0.097 0.000 0.860 792 D CB 0.296 41.228 40.800 0.220 0.000 0.955 792 D HN 0.316 nan 8.370 nan 0.000 0.505 793 I N 0.154 120.752 120.570 0.046 0.000 2.585 793 I HA 0.080 4.258 4.170 0.013 0.000 0.254 793 I C 1.774 177.913 176.117 0.037 0.000 1.129 793 I CA 0.520 61.838 61.300 0.029 0.000 1.455 793 I CB -0.204 37.786 38.000 -0.018 0.000 1.111 793 I HN 0.028 nan 8.210 nan 0.000 0.433 794 G N 1.535 110.373 108.800 0.062 0.000 2.574 794 G HA2 -0.348 3.620 3.960 0.013 0.000 0.286 794 G HA3 -0.348 3.620 3.960 0.013 0.000 0.286 794 G C 0.697 175.772 174.900 0.292 0.000 1.212 794 G CA 0.806 46.012 45.100 0.175 0.000 0.979 794 G HN 0.495 nan 8.290 nan 0.000 0.557 795 V N -1.841 118.184 119.914 0.185 0.000 3.596 795 V HA 0.594 4.722 4.120 0.013 0.000 0.289 795 V C 1.313 177.428 176.094 0.034 0.000 1.336 795 V CA 1.204 63.553 62.300 0.081 0.000 1.137 795 V CB -0.005 31.744 31.823 -0.124 0.000 0.966 795 V HN 1.243 nan 8.190 nan 0.000 0.428 796 S N 1.084 116.807 115.700 0.038 0.000 2.558 796 S HA 0.283 4.761 4.470 0.013 0.000 0.288 796 S C -0.123 174.486 174.600 0.015 0.000 1.318 796 S CA 0.198 58.403 58.200 0.009 0.000 1.056 796 S CB 0.387 63.588 63.200 0.001 0.000 0.853 796 S HN 0.824 nan 8.310 nan 0.000 0.505 797 E N 1.257 121.460 120.200 0.005 0.000 2.383 797 E HA 0.575 4.933 4.350 0.013 0.000 0.275 797 E C 0.585 177.192 176.600 0.012 0.000 0.918 797 E CA -0.331 56.077 56.400 0.013 0.000 0.764 797 E CB 1.489 31.194 29.700 0.009 0.000 1.252 797 E HN 0.613 nan 8.360 nan 0.000 0.449 798 A N 1.231 124.065 122.820 0.022 0.000 1.915 798 A HA -0.258 4.070 4.320 0.013 0.000 0.220 798 A C 2.035 179.627 177.584 0.014 0.000 1.198 798 A CA 2.795 54.844 52.037 0.021 0.000 0.647 798 A CB -1.039 17.979 19.000 0.030 0.000 0.825 798 A HN 0.645 nan 8.150 nan 0.000 0.456 799 T N -3.273 111.288 114.554 0.012 0.000 3.085 799 T HA 0.097 4.455 4.350 0.013 0.000 0.263 799 T C 0.769 175.466 174.700 -0.006 0.000 1.127 799 T CA 1.047 63.151 62.100 0.006 0.000 1.103 799 T CB -0.124 68.749 68.868 0.008 0.000 0.921 799 T HN 0.390 nan 8.240 nan 0.000 0.510 800 R N 0.751 121.245 120.500 -0.010 0.000 3.189 800 R HA 0.310 4.658 4.340 0.013 0.000 0.222 800 R C -1.348 174.938 176.300 -0.023 0.000 1.735 800 R CA -0.468 55.618 56.100 -0.022 0.000 1.129 800 R CB 0.118 30.397 30.300 -0.035 0.000 1.549 800 R HN 0.210 nan 8.270 nan 0.000 0.525 801 I N 1.381 121.939 120.570 -0.019 0.000 2.692 801 I HA 0.011 4.189 4.170 0.013 0.000 0.284 801 I C 0.415 176.513 176.117 -0.032 0.000 1.159 801 I CA 0.311 61.599 61.300 -0.019 0.000 1.423 801 I CB 0.782 38.774 38.000 -0.014 0.000 1.380 801 I HN 0.486 nan 8.210 nan 0.000 0.580 802 D N 8.635 129.013 120.400 -0.037 0.000 2.454 802 D HA 0.295 4.943 4.640 0.013 0.000 0.225 802 D C -1.748 174.510 176.300 -0.070 0.000 1.081 802 D CA -2.181 51.788 54.000 -0.052 0.000 0.864 802 D CB 1.554 42.326 40.800 -0.047 0.000 1.040 802 D HN 0.178 nan 8.370 nan 0.000 0.517 803 P HA -0.087 nan 4.420 nan 0.000 0.230 803 P C 0.821 178.033 177.300 -0.147 0.000 1.158 803 P CA 0.644 63.688 63.100 -0.094 0.000 0.769 803 P CB 0.230 31.885 31.700 -0.076 0.000 0.807 804 N N -0.324 118.284 118.700 -0.153 0.000 2.424 804 N HA 0.028 4.776 4.740 0.013 0.000 0.178 804 N C 0.442 175.768 175.510 -0.308 0.000 1.060 804 N CA -0.170 52.747 53.050 -0.222 0.000 0.901 804 N CB 0.030 38.415 38.487 -0.171 0.000 0.979 804 N HN -0.029 nan 8.380 nan 0.000 0.451 805 A N 0.347 123.034 122.820 -0.221 0.000 2.483 805 A HA -0.009 4.319 4.320 0.013 0.000 0.238 805 A C 0.532 177.921 177.584 -0.324 0.000 1.070 805 A CA -0.326 51.582 52.037 -0.216 0.000 0.770 805 A CB -0.137 18.807 19.000 -0.092 0.000 1.008 805 A HN 0.485 nan 8.150 nan 0.000 0.497 806 W N 1.601 122.647 121.300 -0.423 0.000 2.318 806 W HA -0.185 4.483 4.660 0.013 0.000 0.313 806 W C 2.210 178.119 176.519 -1.017 0.000 1.221 806 W CA 1.648 58.464 57.345 -0.882 0.000 1.266 806 W CB -0.270 28.556 29.460 -1.057 0.000 1.150 806 W HN 0.565 nan 8.180 nan 0.000 0.496 807 V N 0.792 120.571 119.914 -0.225 0.000 2.407 807 V HA -0.257 3.871 4.120 0.013 0.000 0.248 807 V C 2.129 178.298 176.094 0.126 0.000 1.055 807 V CA 2.076 64.456 62.300 0.133 0.000 1.049 807 V CB -0.324 31.627 31.823 0.212 0.000 0.662 807 V HN 0.080 nan 8.190 nan 0.000 0.455 808 E N 0.001 120.186 120.200 -0.024 0.000 2.107 808 E HA -0.146 4.212 4.350 0.013 0.000 0.191 808 E C 2.353 178.921 176.600 -0.054 0.000 0.982 808 E CA 1.035 57.422 56.400 -0.022 0.000 0.809 808 E CB -0.312 29.350 29.700 -0.062 0.000 0.756 808 E HN 0.628 nan 8.360 nan 0.000 0.459 809 R N -0.085 120.305 120.500 -0.183 0.000 2.073 809 R HA -0.115 4.233 4.340 0.013 0.000 0.234 809 R C 2.299 178.535 176.300 -0.106 0.000 1.134 809 R CA 1.274 57.247 56.100 -0.212 0.000 0.952 809 R CB -0.233 29.824 30.300 -0.404 0.000 0.850 809 R HN 0.255 nan 8.270 nan 0.000 0.433 810 W N 1.577 122.849 121.300 -0.047 0.000 2.363 810 W HA -0.069 4.599 4.660 0.014 0.000 0.296 810 W C 1.944 178.425 176.519 -0.065 0.000 1.212 810 W CA 0.640 57.844 57.345 -0.235 0.000 1.260 810 W CB -0.574 28.893 29.460 0.011 0.000 1.131 810 W HN 0.119 nan 8.180 nan 0.000 0.530 811 K N 0.166 120.774 120.400 0.346 0.000 2.025 811 K HA -0.072 4.256 4.320 0.013 0.000 0.207 811 K C 2.305 178.966 176.600 0.101 0.000 1.049 811 K CA 1.737 58.190 56.287 0.276 0.000 0.933 811 K CB -0.630 31.983 32.500 0.188 0.000 0.714 811 K HN -0.041 nan 8.250 nan 0.000 0.438 812 A N 1.152 124.003 122.820 0.051 0.000 2.019 812 A HA -0.100 4.228 4.320 0.013 0.000 0.219 812 A C 2.163 179.752 177.584 0.008 0.000 1.164 812 A CA 1.814 53.866 52.037 0.026 0.000 0.644 812 A CB -0.539 18.462 19.000 0.002 0.000 0.805 812 A HN 0.346 nan 8.150 nan 0.000 0.449 813 A N -2.020 120.776 122.820 -0.040 0.000 2.238 813 A HA 0.414 4.743 4.320 0.013 0.000 0.208 813 A C 1.789 179.324 177.584 -0.082 0.000 1.177 813 A CA 1.179 53.200 52.037 -0.027 0.000 0.804 813 A CB -0.799 18.142 19.000 -0.099 0.000 0.823 813 A HN 1.850 nan 8.150 nan 0.000 0.482 814 G N -1.453 107.185 108.800 -0.270 0.000 2.157 814 G HA2 -0.311 3.657 3.960 0.013 0.000 0.248 814 G HA3 -0.311 3.657 3.960 0.013 0.000 0.248 814 G C 0.635 175.503 174.900 -0.052 0.000 0.979 814 G CA 0.684 45.364 45.100 -0.699 0.000 0.650 814 G HN 0.740 nan 8.290 nan 0.000 0.529 815 H N -1.376 117.674 119.070 -0.034 0.000 2.352 815 H HA -0.115 4.450 4.556 0.013 0.000 0.299 815 H C 2.277 177.582 175.328 -0.039 0.000 1.097 815 H CA 1.699 57.746 56.048 -0.002 0.000 1.311 815 H CB 0.033 29.739 29.762 -0.094 0.000 1.377 815 H HN 0.597 nan 8.280 nan 0.000 0.504 816 Y N 0.676 121.096 120.300 0.200 0.000 2.395 816 Y HA -0.095 4.463 4.550 0.013 0.000 0.293 816 Y C 2.219 178.200 175.900 0.135 0.000 1.123 816 Y CA 0.751 58.931 58.100 0.133 0.000 1.227 816 Y CB 0.251 38.773 38.460 0.104 0.000 1.012 816 Y HN 0.191 nan 8.280 nan 0.000 0.552 817 Q N -0.200 119.757 119.800 0.262 0.000 2.356 817 Q HA 0.274 4.622 4.340 0.013 0.000 0.205 817 Q C 0.657 176.839 176.000 0.303 0.000 0.901 817 Q CA -0.084 55.867 55.803 0.248 0.000 0.938 817 Q CB 0.443 29.319 28.738 0.229 0.000 1.081 817 Q HN 0.276 nan 8.270 nan 0.000 0.517 818 A N 1.814 124.833 122.820 0.332 0.000 2.531 818 A HA 0.029 4.357 4.320 0.013 0.000 0.236 818 A C -0.070 177.819 177.584 0.508 0.000 1.062 818 A CA 0.368 52.673 52.037 0.447 0.000 0.760 818 A CB 0.264 19.567 19.000 0.505 0.000 0.995 818 A HN 0.145 nan 8.150 nan 0.000 0.501 819 E N 0.830 121.246 120.200 0.360 0.000 2.212 819 E HA 0.471 4.830 4.350 0.013 0.000 0.268 819 E C -0.402 176.149 176.600 -0.082 0.000 0.902 819 E CA -0.778 55.752 56.400 0.216 0.000 0.779 819 E CB 1.974 31.772 29.700 0.164 0.000 1.172 819 E HN 0.746 nan 8.360 nan 0.000 0.409 820 A N 2.269 124.935 122.820 -0.257 0.000 2.770 820 A HA 0.313 4.641 4.320 0.013 0.000 0.292 820 A C 0.357 177.817 177.584 -0.207 0.000 1.604 820 A CA 0.004 51.705 52.037 -0.560 0.000 1.271 820 A CB -0.749 18.054 19.000 -0.327 0.000 1.075 820 A HN 0.536 nan 8.150 nan 0.000 0.573 821 A N 2.588 125.273 122.820 -0.226 0.000 2.454 821 A HA 0.473 4.801 4.320 0.013 0.000 0.260 821 A C 0.116 177.621 177.584 -0.131 0.000 1.106 821 A CA -0.408 51.562 52.037 -0.111 0.000 0.780 821 A CB -0.010 18.947 19.000 -0.073 0.000 1.044 821 A HN 1.222 nan 8.150 nan 0.000 0.498 822 L N 3.627 124.763 121.223 -0.146 0.000 2.361 822 L HA 0.264 4.612 4.340 0.013 0.000 0.278 822 L C 0.565 177.304 176.870 -0.218 0.000 1.113 822 L CA 0.381 55.040 54.840 -0.301 0.000 0.849 822 L CB 0.207 42.087 42.059 -0.299 0.000 1.155 822 L HN 0.754 nan 8.230 nan 0.000 0.452 823 L N 3.712 124.796 121.223 -0.231 0.000 2.408 823 L HA 0.279 4.627 4.340 0.013 0.000 0.215 823 L C 0.417 177.222 176.870 -0.108 0.000 1.081 823 L CA 0.124 54.892 54.840 -0.120 0.000 0.840 823 L CB 0.017 42.038 42.059 -0.063 0.000 1.002 823 L HN 0.790 nan 8.230 nan 0.000 0.468 824 Q N -0.489 119.218 119.800 -0.155 0.000 2.503 824 Q HA 0.281 4.629 4.340 0.013 0.000 0.268 824 Q C -1.999 173.942 176.000 -0.099 0.000 0.982 824 Q CA -0.620 55.128 55.803 -0.092 0.000 0.907 824 Q CB 2.568 31.279 28.738 -0.044 0.000 1.467 824 Q HN 0.020 nan 8.270 nan 0.000 0.394 825 C N 3.493 122.778 119.300 -0.025 0.000 2.679 825 C HA 0.816 5.284 4.460 0.013 0.000 0.354 825 C C -0.786 174.320 174.990 0.195 0.000 1.067 825 C CA 0.570 59.620 59.018 0.054 0.000 1.317 825 C CB 0.517 28.269 27.740 0.020 0.000 1.843 825 C HN 0.831 nan 8.230 nan 0.000 0.459 826 T N 2.400 117.023 114.554 0.115 0.000 2.916 826 T HA 0.904 5.262 4.350 0.013 0.000 0.292 826 T C -0.502 174.005 174.700 -0.322 0.000 1.064 826 T CA -0.406 61.708 62.100 0.025 0.000 1.011 826 T CB 1.949 70.799 68.868 -0.030 0.000 1.152 826 T HN 1.535 nan 8.240 nan 0.000 0.510 827 A N 1.368 123.793 122.820 -0.659 0.000 2.356 827 A HA 0.743 5.071 4.320 0.013 0.000 0.310 827 A C -1.200 176.124 177.584 -0.433 0.000 1.075 827 A CA -0.727 50.815 52.037 -0.825 0.000 0.746 827 A CB 1.197 19.334 19.000 -1.438 0.000 1.221 827 A HN 0.855 nan 8.150 nan 0.000 0.443 828 D N 1.073 121.283 120.400 -0.316 0.000 2.738 828 D HA 0.530 5.178 4.640 0.013 0.000 0.237 828 D C -0.844 175.350 176.300 -0.177 0.000 1.123 828 D CA 0.069 53.950 54.000 -0.198 0.000 0.856 828 D CB 2.410 43.124 40.800 -0.144 0.000 1.552 828 D HN 0.446 nan 8.370 nan 0.000 0.480 829 T N 1.679 116.153 114.554 -0.133 0.000 2.829 829 T HA 0.535 4.893 4.350 0.013 0.000 0.282 829 T C 0.596 175.237 174.700 -0.098 0.000 0.990 829 T CA -0.549 61.479 62.100 -0.119 0.000 1.028 829 T CB 1.162 69.966 68.868 -0.107 0.000 0.951 829 T HN 0.112 nan 8.240 nan 0.000 0.460 830 L N 1.168 122.333 121.223 -0.098 0.000 2.421 830 L HA 0.613 4.961 4.340 0.013 0.000 0.267 830 L C 1.987 178.812 176.870 -0.074 0.000 1.036 830 L CA -1.285 53.507 54.840 -0.079 0.000 0.829 830 L CB 0.353 42.368 42.059 -0.074 0.000 1.437 830 L HN 0.728 nan 8.230 nan 0.000 0.488 831 A N 0.296 123.080 122.820 -0.060 0.000 1.940 831 A HA -0.161 4.168 4.320 0.013 0.000 0.219 831 A C 1.034 178.581 177.584 -0.062 0.000 1.176 831 A CA 2.069 54.073 52.037 -0.055 0.000 0.631 831 A CB -0.461 18.514 19.000 -0.042 0.000 0.814 831 A HN 0.893 nan 8.150 nan 0.000 0.446 832 D N -2.876 117.484 120.400 -0.067 0.000 2.636 832 D HA 0.534 5.182 4.640 0.013 0.000 0.270 832 D C -0.052 176.198 176.300 -0.082 0.000 1.430 832 D CA 0.692 54.649 54.000 -0.071 0.000 0.796 832 D CB -0.238 40.525 40.800 -0.062 0.000 1.117 832 D HN 0.465 nan 8.370 nan 0.000 0.480 833 A N -0.435 122.329 122.820 -0.094 0.000 2.564 833 A HA 0.605 4.933 4.320 0.013 0.000 0.291 833 A C -1.704 175.804 177.584 -0.127 0.000 1.102 833 A CA -0.681 51.289 52.037 -0.112 0.000 0.660 833 A CB 1.554 20.494 19.000 -0.100 0.000 1.283 833 A HN -0.001 nan 8.150 nan 0.000 0.430 834 V N 0.728 120.551 119.914 -0.153 0.000 2.435 834 V HA 0.594 4.723 4.120 0.013 0.000 0.290 834 V C -0.853 175.130 176.094 -0.184 0.000 1.030 834 V CA -0.382 61.815 62.300 -0.172 0.000 0.881 834 V CB 1.239 32.957 31.823 -0.175 0.000 0.983 834 V HN 0.794 nan 8.190 nan 0.000 0.445 835 L N 6.797 127.905 121.223 -0.192 0.000 2.319 835 L HA 0.627 4.976 4.340 0.013 0.000 0.281 835 L C -0.774 175.946 176.870 -0.249 0.000 1.005 835 L CA 0.028 54.763 54.840 -0.175 0.000 0.828 835 L CB 1.164 43.150 42.059 -0.123 0.000 1.227 835 L HN 0.409 nan 8.230 nan 0.000 0.415 836 I N 4.184 124.598 120.570 -0.261 0.000 2.354 836 I HA 0.398 4.576 4.170 0.013 0.000 0.292 836 I C -0.068 175.996 176.117 -0.089 0.000 0.989 836 I CA -0.251 60.838 61.300 -0.351 0.000 1.188 836 I CB 1.516 39.010 38.000 -0.843 0.000 1.342 836 I HN 0.542 nan 8.210 nan 0.000 0.457 837 T N 4.936 119.445 114.554 -0.074 0.000 2.779 837 T HA 0.596 4.954 4.350 0.013 0.000 0.280 837 T C 0.272 175.009 174.700 0.062 0.000 0.987 837 T CA -0.518 61.594 62.100 0.021 0.000 0.966 837 T CB 1.599 70.459 68.868 -0.013 0.000 0.933 837 T HN 0.776 nan 8.240 nan 0.000 0.442 838 T N -0.333 114.302 114.554 0.136 0.000 2.906 838 T HA 0.879 5.237 4.350 0.013 0.000 0.295 838 T C -1.088 173.664 174.700 0.088 0.000 1.075 838 T CA -1.060 61.100 62.100 0.100 0.000 1.005 838 T CB 2.028 71.023 68.868 0.211 0.000 1.136 838 T HN 0.767 nan 8.240 nan 0.000 0.498 839 A N 1.483 124.276 122.820 -0.045 0.000 2.459 839 A HA 0.763 5.091 4.320 0.013 0.000 0.296 839 A C -1.466 176.015 177.584 -0.172 0.000 1.039 839 A CA -0.775 51.273 52.037 0.019 0.000 0.698 839 A CB 0.934 19.953 19.000 0.030 0.000 1.261 839 A HN 1.023 nan 8.150 nan 0.000 0.405 840 H N -0.086 119.026 119.070 0.070 0.000 2.895 840 H HA 0.779 5.343 4.556 0.013 0.000 0.373 840 H C -0.168 175.169 175.328 0.015 0.000 1.174 840 H CA 0.258 56.263 56.048 -0.073 0.000 1.144 840 H CB 2.187 31.820 29.762 -0.215 0.000 1.793 840 H HN 1.026 nan 8.280 nan 0.000 0.551 841 A N 1.910 124.738 122.820 0.013 0.000 2.356 841 A HA 0.424 4.752 4.320 0.013 0.000 0.310 841 A C -1.367 176.235 177.584 0.029 0.000 1.075 841 A CA -0.688 51.434 52.037 0.142 0.000 0.746 841 A CB 1.128 20.181 19.000 0.089 0.000 1.221 841 A HN 0.562 nan 8.150 nan 0.000 0.443 842 W N 1.769 123.179 121.300 0.182 0.000 2.433 842 W HA 0.469 5.138 4.660 0.014 0.000 0.315 842 W C -0.230 176.328 176.519 0.065 0.000 1.087 842 W CA -0.116 57.338 57.345 0.181 0.000 1.205 842 W CB 1.775 31.395 29.460 0.266 0.000 1.288 842 W HN 0.758 nan 8.180 nan 0.000 0.504 843 Q N 1.252 121.214 119.800 0.270 0.000 2.484 843 Q HA 0.395 4.743 4.340 0.013 0.000 0.285 843 Q C -1.070 175.081 176.000 0.251 0.000 1.097 843 Q CA -0.887 55.025 55.803 0.182 0.000 0.802 843 Q CB 3.693 32.492 28.738 0.102 0.000 1.444 843 Q HN 0.411 nan 8.270 nan 0.000 0.429 844 H N 1.507 120.622 119.070 0.074 0.000 2.934 844 H HA 0.069 4.633 4.556 0.014 0.000 0.340 844 H C -0.870 174.495 175.328 0.062 0.000 1.008 844 H CA -0.232 55.867 56.048 0.086 0.000 1.317 844 H CB 1.114 30.938 29.762 0.103 0.000 1.670 844 H HN 0.608 nan 8.280 nan 0.000 0.516 845 Q N 3.151 122.659 119.800 -0.486 0.000 2.434 845 Q HA -0.207 4.141 4.340 0.013 0.000 0.299 845 Q C 1.155 177.094 176.000 -0.103 0.000 1.286 845 Q CA 1.612 57.230 55.803 -0.307 0.000 0.872 845 Q CB -1.885 26.651 28.738 -0.337 0.000 1.193 845 Q HN 1.203 nan 8.270 nan 0.000 0.466 846 G N -1.145 107.625 108.800 -0.049 0.000 2.358 846 G HA2 -0.375 3.593 3.960 0.013 0.000 0.224 846 G HA3 -0.375 3.593 3.960 0.013 0.000 0.224 846 G C 0.155 175.062 174.900 0.012 0.000 1.073 846 G CA 0.355 45.448 45.100 -0.012 0.000 0.635 846 G HN 0.565 nan 8.290 nan 0.000 0.509 847 K N 1.572 121.988 120.400 0.027 0.000 2.172 847 K HA 0.616 4.944 4.320 0.013 0.000 0.276 847 K C -0.376 176.246 176.600 0.037 0.000 1.013 847 K CA 0.055 56.363 56.287 0.035 0.000 0.913 847 K CB 0.941 33.468 32.500 0.045 0.000 1.055 847 K HN 0.020 nan 8.250 nan 0.000 0.461 848 T N 5.566 120.132 114.554 0.019 0.000 2.729 848 T HA 0.202 4.560 4.350 0.013 0.000 0.296 848 T C 1.058 175.711 174.700 -0.077 0.000 0.928 848 T CA -0.450 61.659 62.100 0.015 0.000 1.045 848 T CB 0.456 69.348 68.868 0.040 0.000 0.902 848 T HN 0.571 nan 8.240 nan 0.000 0.500 849 L N 2.608 123.701 121.223 -0.215 0.000 2.145 849 L HA 0.346 4.694 4.340 0.013 0.000 0.201 849 L C -0.069 176.323 176.870 -0.797 0.000 1.075 849 L CA 0.889 55.327 54.840 -0.671 0.000 0.773 849 L CB 0.081 41.350 42.059 -1.316 0.000 0.936 849 L HN 0.528 nan 8.230 nan 0.000 0.451 850 F N -1.007 118.891 119.950 -0.086 0.000 2.588 850 F HA 0.540 5.075 4.527 0.013 0.000 0.310 850 F C -0.464 175.424 175.800 0.146 0.000 1.082 850 F CA -0.789 57.091 58.000 -0.200 0.000 0.929 850 F CB 1.990 40.441 39.000 -0.915 0.000 1.254 850 F HN -0.312 nan 8.300 nan 0.000 0.455 851 I N 1.647 122.426 120.570 0.348 0.000 2.465 851 I HA 0.371 4.549 4.170 0.013 0.000 0.291 851 I C -0.644 175.736 176.117 0.439 0.000 1.014 851 I CA -0.557 60.981 61.300 0.397 0.000 1.093 851 I CB 2.147 40.295 38.000 0.246 0.000 1.267 851 I HN 0.542 nan 8.210 nan 0.000 0.431 852 S N 6.865 122.927 115.700 0.603 0.000 2.498 852 S HA 0.560 5.038 4.470 0.013 0.000 0.317 852 S C -0.629 174.214 174.600 0.404 0.000 1.090 852 S CA -0.694 57.830 58.200 0.539 0.000 1.089 852 S CB 0.577 64.235 63.200 0.763 0.000 0.997 852 S HN 0.548 nan 8.310 nan 0.000 0.470 853 R N 3.537 124.197 120.500 0.267 0.000 2.387 853 R HA 0.563 4.911 4.340 0.013 0.000 0.314 853 R C -0.689 175.691 176.300 0.132 0.000 0.958 853 R CA -0.730 55.484 56.100 0.190 0.000 0.846 853 R CB 1.737 32.121 30.300 0.139 0.000 1.147 853 R HN 0.551 nan 8.270 nan 0.000 0.447 854 K N 0.858 121.332 120.400 0.124 0.000 2.482 854 K HA 0.467 4.795 4.320 0.013 0.000 0.257 854 K C -0.822 175.781 176.600 0.005 0.000 0.969 854 K CA -0.918 55.372 56.287 0.004 0.000 0.842 854 K CB 2.608 35.087 32.500 -0.035 0.000 1.359 854 K HN 0.632 nan 8.250 nan 0.000 0.441 855 T N -1.354 113.135 114.554 -0.109 0.000 2.886 855 T HA 0.553 4.911 4.350 0.013 0.000 0.292 855 T C -1.322 173.286 174.700 -0.154 0.000 1.012 855 T CA -0.743 61.333 62.100 -0.040 0.000 0.982 855 T CB 0.498 69.355 68.868 -0.018 0.000 1.018 855 T HN 0.386 nan 8.240 nan 0.000 0.451 856 Y N 1.106 121.378 120.300 -0.047 0.000 2.331 856 Y HA 0.624 5.182 4.550 0.014 0.000 0.334 856 Y C 0.469 176.303 175.900 -0.111 0.000 0.960 856 Y CA -1.150 56.936 58.100 -0.023 0.000 1.130 856 Y CB 1.858 40.335 38.460 0.029 0.000 1.164 856 Y HN 0.654 nan 8.280 nan 0.000 0.458 857 R N 4.693 125.222 120.500 0.049 0.000 2.337 857 R HA 0.614 4.962 4.340 0.013 0.000 0.319 857 R C -1.665 174.583 176.300 -0.086 0.000 0.954 857 R CA -0.438 55.639 56.100 -0.038 0.000 0.840 857 R CB 0.544 30.827 30.300 -0.028 0.000 1.164 857 R HN 0.816 nan 8.270 nan 0.000 0.472 858 I N 5.074 125.527 120.570 -0.194 0.000 2.354 858 I HA 0.175 4.353 4.170 0.013 0.000 0.292 858 I C 0.024 176.001 176.117 -0.233 0.000 0.989 858 I CA -0.503 60.599 61.300 -0.329 0.000 1.188 858 I CB 1.504 39.101 38.000 -0.672 0.000 1.342 858 I HN 0.671 nan 8.210 nan 0.000 0.457 859 D N 4.538 124.845 120.400 -0.155 0.000 2.592 859 D HA 0.216 4.864 4.640 0.013 0.000 0.259 859 D C 1.134 177.401 176.300 -0.054 0.000 1.144 859 D CA -0.690 53.255 54.000 -0.092 0.000 1.080 859 D CB 1.296 42.063 40.800 -0.055 0.000 1.225 859 D HN 0.517 nan 8.370 nan 0.000 0.619 860 G N -1.012 107.764 108.800 -0.041 0.000 2.586 860 G HA2 -0.177 3.791 3.960 0.013 0.000 0.215 860 G HA3 -0.177 3.791 3.960 0.013 0.000 0.215 860 G C 1.205 176.124 174.900 0.032 0.000 1.128 860 G CA 1.123 46.219 45.100 -0.008 0.000 0.774 860 G HN 0.537 nan 8.290 nan 0.000 0.543 861 S N -1.337 114.378 115.700 0.025 0.000 2.535 861 S HA 0.387 4.865 4.470 0.013 0.000 0.214 861 S C 1.831 176.503 174.600 0.120 0.000 0.980 861 S CA 0.942 59.179 58.200 0.063 0.000 0.907 861 S CB 0.145 63.367 63.200 0.037 0.000 0.790 861 S HN 1.410 nan 8.310 nan 0.000 0.510 862 G N 0.130 109.013 108.800 0.139 0.000 2.175 862 G HA2 -0.240 3.728 3.960 0.013 0.000 0.244 862 G HA3 -0.240 3.728 3.960 0.013 0.000 0.244 862 G C -0.119 174.928 174.900 0.245 0.000 0.982 862 G CA 0.150 45.411 45.100 0.269 0.000 0.641 862 G HN 0.614 nan 8.290 nan 0.000 0.527 863 Q N -0.290 119.585 119.800 0.124 0.000 2.230 863 Q HA 0.747 5.095 4.340 0.013 0.000 0.248 863 Q C 0.317 176.354 176.000 0.062 0.000 0.915 863 Q CA -0.226 55.656 55.803 0.133 0.000 0.900 863 Q CB 1.174 29.979 28.738 0.111 0.000 1.229 863 Q HN 0.418 nan 8.270 nan 0.000 0.439 864 M N 2.247 121.933 119.600 0.142 0.000 2.043 864 M HA 0.607 5.096 4.480 0.013 0.000 0.322 864 M C -1.466 174.948 176.300 0.191 0.000 0.962 864 M CA -0.594 54.770 55.300 0.106 0.000 0.927 864 M CB 0.872 33.570 32.600 0.164 0.000 1.466 864 M HN 0.686 nan 8.290 nan 0.000 0.412 865 A N 6.860 129.752 122.820 0.119 0.000 2.260 865 A HA 0.688 5.017 4.320 0.013 0.000 0.308 865 A C -0.745 176.883 177.584 0.074 0.000 1.254 865 A CA -0.607 51.498 52.037 0.113 0.000 0.874 865 A CB 0.190 19.233 19.000 0.072 0.000 1.153 865 A HN 0.917 nan 8.150 nan 0.000 0.527 866 I N 2.516 123.117 120.570 0.051 0.000 2.362 866 I HA 0.317 4.495 4.170 0.013 0.000 0.289 866 I C -0.203 175.813 176.117 -0.169 0.000 0.994 866 I CA -0.225 60.998 61.300 -0.128 0.000 1.158 866 I CB 2.018 39.952 38.000 -0.110 0.000 1.315 866 I HN 0.496 nan 8.210 nan 0.000 0.451 867 T N 5.830 120.252 114.554 -0.221 0.000 2.779 867 T HA 0.571 4.929 4.350 0.013 0.000 0.280 867 T C -0.245 174.266 174.700 -0.315 0.000 0.987 867 T CA -0.489 61.481 62.100 -0.217 0.000 0.966 867 T CB 1.880 70.717 68.868 -0.052 0.000 0.933 867 T HN 0.228 nan 8.240 nan 0.000 0.442 868 V N 3.325 122.918 119.914 -0.534 0.000 2.588 868 V HA 0.503 4.631 4.120 0.013 0.000 0.304 868 V C -0.808 175.102 176.094 -0.307 0.000 1.042 868 V CA -0.951 61.059 62.300 -0.483 0.000 0.877 868 V CB 2.164 33.420 31.823 -0.944 0.000 0.996 868 V HN 0.841 nan 8.190 nan 0.000 0.425 869 D N 3.129 123.521 120.400 -0.013 0.000 2.549 869 D HA 0.573 5.221 4.640 0.013 0.000 0.251 869 D C -0.993 175.425 176.300 0.198 0.000 1.153 869 D CA -0.067 54.023 54.000 0.151 0.000 0.861 869 D CB 2.685 43.595 40.800 0.184 0.000 1.207 869 D HN 0.262 nan 8.370 nan 0.000 0.543 870 V N 2.047 122.118 119.914 0.262 0.000 2.864 870 V HA 0.352 4.480 4.120 0.013 0.000 0.314 870 V C -0.028 176.216 176.094 0.249 0.000 1.073 870 V CA -0.753 61.718 62.300 0.285 0.000 0.956 870 V CB 2.716 34.752 31.823 0.354 0.000 1.023 870 V HN 0.358 nan 8.190 nan 0.000 0.435 871 E N 1.723 122.055 120.200 0.220 0.000 2.199 871 E HA 0.658 5.016 4.350 0.013 0.000 0.269 871 E C -1.627 175.090 176.600 0.195 0.000 0.899 871 E CA -0.554 55.955 56.400 0.181 0.000 0.772 871 E CB 2.544 32.333 29.700 0.147 0.000 1.155 871 E HN 0.392 nan 8.360 nan 0.000 0.408 872 V N 2.065 122.099 119.914 0.201 0.000 2.531 872 V HA 0.385 4.513 4.120 0.013 0.000 0.301 872 V C 0.024 176.209 176.094 0.153 0.000 1.034 872 V CA -0.961 61.477 62.300 0.230 0.000 0.865 872 V CB 1.587 33.589 31.823 0.298 0.000 0.995 872 V HN 0.853 nan 8.190 nan 0.000 0.424 873 A N 3.386 126.246 122.820 0.067 0.000 2.567 873 A HA 0.250 4.578 4.320 0.013 0.000 0.240 873 A C 1.646 179.297 177.584 0.112 0.000 1.053 873 A CA 0.682 52.752 52.037 0.055 0.000 0.755 873 A CB 0.214 19.208 19.000 -0.010 0.000 0.978 873 A HN 1.411 nan 8.150 nan 0.000 0.507 874 S N 1.233 116.998 115.700 0.108 0.000 2.419 874 S HA -0.172 4.306 4.470 0.013 0.000 0.233 874 S C 1.008 175.691 174.600 0.138 0.000 1.016 874 S CA 1.390 59.676 58.200 0.142 0.000 0.974 874 S CB -0.313 62.951 63.200 0.106 0.000 0.786 874 S HN 0.843 nan 8.310 nan 0.000 0.492 875 D N 0.375 120.827 120.400 0.087 0.000 2.339 875 D HA 0.103 4.751 4.640 0.013 0.000 0.217 875 D C 0.621 176.953 176.300 0.053 0.000 1.050 875 D CA 0.156 54.190 54.000 0.057 0.000 0.856 875 D CB -0.590 40.233 40.800 0.037 0.000 0.922 875 D HN 0.322 nan 8.370 nan 0.000 0.518 876 T N 1.524 116.131 114.554 0.090 0.000 2.909 876 T HA 0.363 4.721 4.350 0.013 0.000 0.289 876 T C -2.572 172.230 174.700 0.171 0.000 1.005 876 T CA -1.863 60.318 62.100 0.135 0.000 1.084 876 T CB 1.086 70.050 68.868 0.160 0.000 0.975 876 T HN -0.131 nan 8.240 nan 0.000 0.509 877 P HA 0.079 nan 4.420 nan 0.000 0.265 877 P C -0.598 177.006 177.300 0.508 0.000 1.193 877 P CA 0.110 63.314 63.100 0.174 0.000 0.765 877 P CB -0.077 31.723 31.700 0.168 0.000 0.823 878 H N 3.794 123.246 119.070 0.637 0.000 3.094 878 H HA 0.051 4.615 4.556 0.013 0.000 0.320 878 H C -1.538 174.132 175.328 0.569 0.000 1.000 878 H CA -1.184 55.172 56.048 0.513 0.000 1.413 878 H CB -0.468 29.535 29.762 0.401 0.000 1.405 878 H HN 0.394 nan 8.280 nan 0.000 0.586 879 P HA -0.002 nan 4.420 nan 0.000 0.274 879 P C 0.117 177.300 177.300 -0.195 0.000 1.231 879 P CA -0.265 62.896 63.100 0.102 0.000 0.790 879 P CB 1.087 32.712 31.700 -0.125 0.000 0.951 880 A N 3.205 125.635 122.820 -0.650 0.000 2.015 880 A HA -0.092 4.237 4.320 0.013 0.000 0.219 880 A C 1.045 178.233 177.584 -0.661 0.000 1.163 880 A CA 1.284 52.904 52.037 -0.695 0.000 0.646 880 A CB -0.525 17.842 19.000 -1.054 0.000 0.806 880 A HN 0.755 nan 8.150 nan 0.000 0.448 881 R N -3.060 117.091 120.500 -0.581 0.000 2.728 881 R HA 0.737 5.085 4.340 0.013 0.000 0.274 881 R C -1.664 174.381 176.300 -0.425 0.000 1.030 881 R CA -0.803 54.977 56.100 -0.534 0.000 0.876 881 R CB 0.804 30.746 30.300 -0.596 0.000 1.259 881 R HN -0.011 nan 8.270 nan 0.000 0.468 882 I N 0.948 121.303 120.570 -0.358 0.000 2.517 882 I HA 0.650 4.828 4.170 0.013 0.000 0.280 882 I C -0.448 175.431 176.117 -0.396 0.000 1.061 882 I CA -0.263 60.846 61.300 -0.318 0.000 1.091 882 I CB 1.915 39.814 38.000 -0.168 0.000 1.205 882 I HN 0.964 nan 8.210 nan 0.000 0.459 883 G N 5.825 114.319 108.800 -0.511 0.000 2.650 883 G HA2 0.730 4.698 3.960 0.013 0.000 0.310 883 G HA3 0.730 4.698 3.960 0.013 0.000 0.310 883 G C -1.691 173.030 174.900 -0.298 0.000 1.270 883 G CA -0.593 44.255 45.100 -0.421 0.000 0.810 883 G HN 0.269 nan 8.290 nan 0.000 0.493 884 L N 0.855 121.952 121.223 -0.210 0.000 2.333 884 L HA 0.667 5.015 4.340 0.013 0.000 0.263 884 L C -0.768 175.992 176.870 -0.182 0.000 1.014 884 L CA -1.161 53.588 54.840 -0.151 0.000 0.820 884 L CB 2.433 44.485 42.059 -0.013 0.000 1.352 884 L HN 0.798 nan 8.230 nan 0.000 0.421 885 N N 0.572 119.196 118.700 -0.125 0.000 2.494 885 N HA 0.695 5.444 4.740 0.013 0.000 0.270 885 N C -1.260 174.253 175.510 0.005 0.000 1.285 885 N CA -0.552 52.463 53.050 -0.058 0.000 0.812 885 N CB 2.314 40.801 38.487 0.000 0.000 1.557 885 N HN 0.861 nan 8.380 nan 0.000 0.487 886 C N -1.237 118.065 119.300 0.004 0.000 3.312 886 C HA 0.603 5.071 4.460 0.013 0.000 0.332 886 C C -1.166 173.559 174.990 -0.441 0.000 1.340 886 C CA -0.868 58.077 59.018 -0.123 0.000 1.265 886 C CB 1.066 28.775 27.740 -0.051 0.000 1.563 886 C HN 0.867 nan 8.230 nan 0.000 0.471 887 Q N 1.256 120.561 119.800 -0.824 0.000 2.347 887 Q HA 0.674 5.022 4.340 0.013 0.000 0.262 887 Q C -1.136 174.545 176.000 -0.530 0.000 0.980 887 Q CA -0.449 54.650 55.803 -1.173 0.000 0.867 887 Q CB 0.929 28.573 28.738 -1.823 0.000 1.242 887 Q HN 0.761 nan 8.270 nan 0.000 0.453 888 L N 2.778 123.792 121.223 -0.349 0.000 2.397 888 L HA 0.281 4.629 4.340 0.013 0.000 0.271 888 L C 1.207 178.013 176.870 -0.107 0.000 1.148 888 L CA -0.187 54.585 54.840 -0.113 0.000 0.825 888 L CB 0.835 42.942 42.059 0.080 0.000 1.117 888 L HN 0.832 nan 8.230 nan 0.000 0.456 889 A N 1.927 124.715 122.820 -0.055 0.000 1.968 889 A HA -0.113 4.215 4.320 0.013 0.000 0.217 889 A C 1.162 178.749 177.584 0.005 0.000 1.169 889 A CA 0.598 52.604 52.037 -0.053 0.000 0.638 889 A CB -0.297 18.667 19.000 -0.059 0.000 0.812 889 A HN 0.787 nan 8.150 nan 0.000 0.446 890 Q N -0.034 119.812 119.800 0.078 0.000 2.421 890 Q HA 0.370 4.718 4.340 0.013 0.000 0.255 890 Q C -1.039 175.027 176.000 0.110 0.000 1.013 890 Q CA 0.562 56.407 55.803 0.071 0.000 0.895 890 Q CB 0.715 29.538 28.738 0.142 0.000 1.271 890 Q HN 0.166 nan 8.270 nan 0.000 0.460 891 V N 3.068 122.998 119.914 0.027 0.000 2.462 891 V HA 0.783 4.911 4.120 0.013 0.000 0.288 891 V C -0.712 175.344 176.094 -0.064 0.000 1.020 891 V CA -0.239 62.098 62.300 0.061 0.000 0.857 891 V CB 0.903 32.747 31.823 0.035 0.000 1.013 891 V HN 0.901 nan 8.190 nan 0.000 0.431 892 A N 2.926 125.643 122.820 -0.172 0.000 2.354 892 A HA 0.774 5.102 4.320 0.013 0.000 0.321 892 A C 0.847 178.415 177.584 -0.026 0.000 1.125 892 A CA -0.157 51.721 52.037 -0.265 0.000 0.799 892 A CB 1.647 20.265 19.000 -0.637 0.000 1.293 892 A HN 0.910 nan 8.150 nan 0.000 0.452 893 E N 0.535 120.725 120.200 -0.016 0.000 2.107 893 E HA -0.057 4.301 4.350 0.013 0.000 0.191 893 E C 0.376 177.039 176.600 0.106 0.000 0.982 893 E CA 0.829 57.257 56.400 0.047 0.000 0.809 893 E CB 0.127 29.841 29.700 0.024 0.000 0.756 893 E HN 0.537 nan 8.360 nan 0.000 0.459 894 R N 0.142 120.711 120.500 0.114 0.000 2.832 894 R HA 0.542 4.890 4.340 0.013 0.000 0.271 894 R C -1.113 175.355 176.300 0.281 0.000 0.996 894 R CA -0.999 55.204 56.100 0.171 0.000 0.977 894 R CB 2.026 32.401 30.300 0.125 0.000 1.168 894 R HN -0.050 nan 8.270 nan 0.000 0.482 895 V N 2.037 122.137 119.914 0.309 0.000 2.483 895 V HA 0.342 4.470 4.120 0.013 0.000 0.297 895 V C -0.397 175.968 176.094 0.452 0.000 1.027 895 V CA -0.924 61.598 62.300 0.371 0.000 0.855 895 V CB 1.841 33.832 31.823 0.280 0.000 0.995 895 V HN 0.693 nan 8.190 nan 0.000 0.424 896 N N 4.589 123.531 118.700 0.404 0.000 2.296 896 N HA 0.555 5.303 4.740 0.013 0.000 0.294 896 N C -1.369 174.399 175.510 0.429 0.000 1.033 896 N CA -0.466 52.800 53.050 0.360 0.000 0.839 896 N CB 2.768 41.354 38.487 0.166 0.000 1.395 896 N HN 0.803 nan 8.380 nan 0.000 0.479 897 W N 3.003 124.338 121.300 0.059 0.000 3.118 897 W HA 0.590 5.258 4.660 0.013 0.000 0.328 897 W C -2.074 174.408 176.519 -0.063 0.000 1.239 897 W CA -1.139 56.216 57.345 0.016 0.000 1.176 897 W CB 0.746 30.249 29.460 0.072 0.000 1.433 897 W HN 0.250 nan 8.180 nan 0.000 0.562 898 L N 4.058 125.233 121.223 -0.079 0.000 2.295 898 L HA 0.932 5.280 4.340 0.013 0.000 0.281 898 L C -0.031 176.576 176.870 -0.438 0.000 1.018 898 L CA 0.289 54.873 54.840 -0.427 0.000 0.841 898 L CB 0.721 42.656 42.059 -0.208 0.000 1.218 898 L HN 0.992 nan 8.230 nan 0.000 0.424 899 G N 3.834 112.196 108.800 -0.731 0.000 2.348 899 G HA2 0.235 4.204 3.960 0.013 0.000 0.296 899 G HA3 0.235 4.204 3.960 0.013 0.000 0.296 899 G C -1.692 173.156 174.900 -0.085 0.000 1.258 899 G CA -1.026 43.920 45.100 -0.256 0.000 0.868 899 G HN 0.455 nan 8.290 nan 0.000 0.488 900 L N 0.928 122.298 121.223 0.244 0.000 2.349 900 L HA 0.635 4.984 4.340 0.013 0.000 0.275 900 L C 1.042 178.018 176.870 0.176 0.000 1.115 900 L CA 0.709 55.674 54.840 0.209 0.000 0.820 900 L CB 0.845 42.984 42.059 0.133 0.000 1.135 900 L HN 1.172 nan 8.230 nan 0.000 0.445 901 G N 2.666 111.353 108.800 -0.187 0.000 2.341 901 G HA2 0.221 4.190 3.960 0.013 0.000 0.299 901 G HA3 0.221 4.190 3.960 0.013 0.000 0.299 901 G C -2.765 171.354 174.900 -1.301 0.000 1.274 901 G CA -0.284 44.379 45.100 -0.728 0.000 0.853 901 G HN 0.313 nan 8.290 nan 0.000 0.493 902 P HA 0.094 nan 4.420 nan 0.000 0.235 902 P C 0.475 177.570 177.300 -0.341 0.000 1.177 902 P CA 0.612 63.038 63.100 -1.123 0.000 0.785 902 P CB 0.478 31.636 31.700 -0.903 0.000 0.885 903 Q N 0.440 120.041 119.800 -0.332 0.000 2.318 903 Q HA 0.166 4.514 4.340 0.013 0.000 0.222 903 Q C 0.328 176.215 176.000 -0.189 0.000 1.003 903 Q CA -0.683 55.002 55.803 -0.197 0.000 0.936 903 Q CB 0.707 29.351 28.738 -0.156 0.000 1.204 903 Q HN 0.107 nan 8.270 nan 0.000 0.524 904 E N 1.288 121.383 120.200 -0.175 0.000 2.608 904 E HA -0.125 4.233 4.350 0.013 0.000 0.259 904 E C -1.152 175.366 176.600 -0.137 0.000 0.951 904 E CA 0.326 56.614 56.400 -0.188 0.000 0.945 904 E CB 0.209 29.861 29.700 -0.081 0.000 0.916 904 E HN 0.579 nan 8.360 nan 0.000 0.477 905 N N 2.781 121.328 118.700 -0.256 0.000 2.308 905 N HA 0.337 5.085 4.740 0.013 0.000 0.283 905 N C -1.828 173.457 175.510 -0.375 0.000 1.105 905 N CA -0.689 52.261 53.050 -0.166 0.000 0.840 905 N CB 0.773 39.183 38.487 -0.128 0.000 1.633 905 N HN 0.247 nan 8.380 nan 0.000 0.476 906 Y N 0.009 120.216 120.300 -0.156 0.000 2.633 906 Y HA 0.505 5.063 4.550 0.013 0.000 0.339 906 Y C -1.661 174.158 175.900 -0.133 0.000 1.045 906 Y CA -2.049 55.945 58.100 -0.177 0.000 1.098 906 Y CB 2.046 40.399 38.460 -0.179 0.000 1.296 906 Y HN 0.441 nan 8.280 nan 0.000 0.494 907 P HA -0.164 nan 4.420 nan 0.000 0.216 907 P C 0.376 177.530 177.300 -0.242 0.000 1.153 907 P CA 2.103 65.230 63.100 0.044 0.000 0.858 907 P CB 0.200 32.049 31.700 0.247 0.000 0.789 908 D N -2.226 117.787 120.400 -0.644 0.000 2.342 908 D HA -0.001 4.647 4.640 0.013 0.000 0.221 908 D C 0.706 176.850 176.300 -0.261 0.000 1.101 908 D CA 0.102 53.533 54.000 -0.949 0.000 0.837 908 D CB -0.281 39.760 40.800 -1.265 0.000 0.938 908 D HN 0.119 nan 8.370 nan 0.000 0.508 909 R N 1.022 121.467 120.500 -0.091 0.000 2.627 909 R HA 0.189 4.537 4.340 0.013 0.000 0.251 909 R C -0.566 175.764 176.300 0.049 0.000 1.524 909 R CA -0.157 55.956 56.100 0.023 0.000 1.606 909 R CB 0.054 30.375 30.300 0.034 0.000 1.396 909 R HN 0.103 nan 8.270 nan 0.000 0.724 910 L N -2.038 119.222 121.223 0.062 0.000 3.386 910 L HA 0.326 4.675 4.340 0.013 0.000 0.307 910 L C 1.318 178.241 176.870 0.089 0.000 1.235 910 L CA 0.177 55.051 54.840 0.057 0.000 1.056 910 L CB 0.032 42.113 42.059 0.036 0.000 1.453 910 L HN 0.072 nan 8.230 nan 0.000 0.615 911 T N -2.502 112.133 114.554 0.135 0.000 2.881 911 T HA -0.020 4.339 4.350 0.013 0.000 0.270 911 T C 1.726 176.470 174.700 0.073 0.000 1.068 911 T CA 1.368 63.572 62.100 0.174 0.000 1.131 911 T CB -0.341 68.688 68.868 0.270 0.000 0.871 911 T HN 0.411 nan 8.240 nan 0.000 0.479 912 A N 1.348 124.210 122.820 0.069 0.000 2.119 912 A HA 0.677 5.005 4.320 0.013 0.000 0.216 912 A C 1.565 179.206 177.584 0.095 0.000 1.152 912 A CA 0.401 52.413 52.037 -0.040 0.000 0.708 912 A CB -0.806 18.321 19.000 0.212 0.000 0.805 912 A HN 0.823 nan 8.150 nan 0.000 0.460 913 A N -0.971 121.865 122.820 0.028 0.000 2.407 913 A HA 0.455 4.783 4.320 0.013 0.000 0.248 913 A C 0.006 177.606 177.584 0.027 0.000 1.082 913 A CA -0.103 51.917 52.037 -0.028 0.000 0.785 913 A CB -0.093 18.889 19.000 -0.030 0.000 1.020 913 A HN 0.453 nan 8.150 nan 0.000 0.489 914 C N 0.804 120.121 119.300 0.028 0.000 2.493 914 C HA 0.528 4.997 4.460 0.013 0.000 0.326 914 C C -0.069 175.017 174.990 0.159 0.000 1.200 914 C CA -0.457 58.620 59.018 0.099 0.000 1.739 914 C CB 0.613 28.418 27.740 0.109 0.000 2.300 914 C HN 0.780 nan 8.230 nan 0.000 0.500 915 F N 3.835 123.636 119.950 -0.248 0.000 2.444 915 F HA 0.468 5.003 4.527 0.013 0.000 0.360 915 F C 0.336 175.780 175.800 -0.593 0.000 1.106 915 F CA 1.156 58.894 58.000 -0.436 0.000 1.170 915 F CB -0.076 38.312 39.000 -1.022 0.000 1.113 915 F HN 0.632 nan 8.300 nan 0.000 0.521 916 D N 3.237 123.046 120.400 -0.985 0.000 2.865 916 D HA 0.205 4.853 4.640 0.013 0.000 0.343 916 D C -1.683 173.729 176.300 -1.479 0.000 1.372 916 D CA -0.710 52.601 54.000 -1.149 0.000 0.862 916 D CB 1.360 41.367 40.800 -1.323 0.000 1.425 916 D HN 0.427 nan 8.370 nan 0.000 0.501 917 R N 0.694 120.408 120.500 -1.310 0.000 2.215 917 R HA 0.524 4.872 4.340 0.013 0.000 0.336 917 R C -1.404 174.170 176.300 -1.211 0.000 0.996 917 R CA -0.249 55.234 56.100 -1.030 0.000 0.847 917 R CB 0.136 30.092 30.300 -0.573 0.000 1.127 917 R HN 0.293 nan 8.270 nan 0.000 0.465 918 W N 2.776 123.566 121.300 -0.850 0.000 2.639 918 W HA 0.434 5.102 4.660 0.013 0.000 0.347 918 W C -0.377 175.796 176.519 -0.577 0.000 1.067 918 W CA -0.675 56.117 57.345 -0.921 0.000 1.218 918 W CB 1.707 30.030 29.460 -1.896 0.000 1.393 918 W HN 0.380 nan 8.180 nan 0.000 0.557 919 D N 2.857 123.247 120.400 -0.017 0.000 2.613 919 D HA 0.405 5.053 4.640 0.013 0.000 0.230 919 D C -1.562 174.854 176.300 0.194 0.000 1.365 919 D CA -0.142 53.935 54.000 0.129 0.000 0.976 919 D CB 0.941 41.763 40.800 0.037 0.000 1.415 919 D HN 0.380 nan 8.370 nan 0.000 0.589 920 L N 2.907 124.313 121.223 0.304 0.000 2.327 920 L HA 0.569 4.917 4.340 0.013 0.000 0.258 920 L C -2.331 174.657 176.870 0.197 0.000 1.024 920 L CA -2.223 52.759 54.840 0.236 0.000 0.825 920 L CB 2.686 44.926 42.059 0.301 0.000 1.386 920 L HN 0.165 nan 8.230 nan 0.000 0.417 921 P HA 0.052 nan 4.420 nan 0.000 0.271 921 P C 0.491 177.867 177.300 0.127 0.000 1.218 921 P CA -0.375 62.796 63.100 0.118 0.000 0.780 921 P CB 0.827 32.578 31.700 0.084 0.000 0.901 922 L N 3.381 124.683 121.223 0.133 0.000 2.013 922 L HA -0.256 4.092 4.340 0.013 0.000 0.212 922 L C 2.187 179.107 176.870 0.083 0.000 1.073 922 L CA 2.780 57.693 54.840 0.121 0.000 0.753 922 L CB -1.573 40.571 42.059 0.141 0.000 0.890 922 L HN 0.454 nan 8.230 nan 0.000 0.432 923 S N -1.843 113.906 115.700 0.082 0.000 2.442 923 S HA -0.179 4.299 4.470 0.013 0.000 0.236 923 S C 1.594 176.262 174.600 0.114 0.000 1.007 923 S CA 1.134 59.398 58.200 0.108 0.000 0.965 923 S CB -0.813 62.445 63.200 0.096 0.000 0.773 923 S HN 0.538 nan 8.310 nan 0.000 0.504 924 D N 1.041 121.484 120.400 0.071 0.000 2.371 924 D HA 0.092 4.740 4.640 0.013 0.000 0.221 924 D C 1.215 177.512 176.300 -0.004 0.000 0.986 924 D CA 0.612 54.631 54.000 0.031 0.000 0.899 924 D CB -0.129 40.700 40.800 0.048 0.000 0.902 924 D HN 0.381 nan 8.370 nan 0.000 0.530 925 M N -0.553 119.055 119.600 0.013 0.000 2.495 925 M HA 0.060 4.548 4.480 0.013 0.000 0.237 925 M C -0.047 176.249 176.300 -0.007 0.000 1.131 925 M CA -0.049 55.213 55.300 -0.064 0.000 1.032 925 M CB -0.687 31.868 32.600 -0.075 0.000 1.513 925 M HN -0.047 nan 8.290 nan 0.000 0.488 926 Y N 0.050 120.307 120.300 -0.072 0.000 2.364 926 Y HA 0.493 5.051 4.550 0.014 0.000 0.340 926 Y C -0.690 175.155 175.900 -0.091 0.000 0.975 926 Y CA -0.918 57.157 58.100 -0.041 0.000 1.089 926 Y CB 1.250 39.748 38.460 0.064 0.000 1.192 926 Y HN -0.142 nan 8.280 nan 0.000 0.454 927 T N 9.064 123.164 114.554 -0.757 0.000 2.756 927 T HA 0.289 4.647 4.350 0.013 0.000 0.290 927 T C -2.685 171.261 174.700 -1.257 0.000 0.985 927 T CA -1.478 60.100 62.100 -0.870 0.000 0.955 927 T CB 1.064 69.469 68.868 -0.771 0.000 0.930 927 T HN 0.461 nan 8.240 nan 0.000 0.451 928 P HA 0.155 nan 4.420 nan 0.000 0.220 928 P C -0.646 176.500 177.300 -0.258 0.000 1.806 928 P CA -0.500 62.165 63.100 -0.726 0.000 0.976 928 P CB -0.678 30.745 31.700 -0.461 0.000 1.952 929 Y N -0.123 120.117 120.300 -0.099 0.000 2.712 929 Y HA -0.113 4.445 4.550 0.013 0.000 0.333 929 Y C 2.276 178.222 175.900 0.076 0.000 1.225 929 Y CA -0.371 57.724 58.100 -0.009 0.000 1.499 929 Y CB 0.502 38.894 38.460 -0.112 0.000 1.288 929 Y HN -0.051 nan 8.280 nan 0.000 0.575 930 V N 3.769 123.891 119.914 0.346 0.000 2.332 930 V HA -0.296 3.832 4.120 0.013 0.000 0.248 930 V C 0.475 176.737 176.094 0.281 0.000 1.055 930 V CA 1.408 63.898 62.300 0.317 0.000 1.038 930 V CB -0.537 31.511 31.823 0.375 0.000 0.651 930 V HN 0.584 nan 8.190 nan 0.000 0.450 931 F N 2.926 122.912 119.950 0.060 0.000 2.361 931 F HA 0.538 5.073 4.527 0.014 0.000 0.364 931 F C -2.570 173.226 175.800 -0.006 0.000 1.120 931 F CA -3.307 54.670 58.000 -0.038 0.000 1.102 931 F CB 0.935 39.791 39.000 -0.241 0.000 1.183 931 F HN -0.025 nan 8.300 nan 0.000 0.476 932 P HA 0.274 nan 4.420 nan 0.000 0.271 932 P C -1.065 175.938 177.300 -0.494 0.000 1.218 932 P CA 0.048 62.904 63.100 -0.407 0.000 0.780 932 P CB 1.329 32.812 31.700 -0.363 0.000 0.901 933 S N 0.004 115.605 115.700 -0.165 0.000 2.703 933 S HA 0.448 4.926 4.470 0.013 0.000 0.273 933 S C -0.792 173.802 174.600 -0.010 0.000 1.178 933 S CA -0.921 57.219 58.200 -0.100 0.000 0.838 933 S CB 0.412 63.586 63.200 -0.042 0.000 1.178 933 S HN 0.314 nan 8.310 nan 0.000 0.494 934 E N 1.168 121.374 120.200 0.009 0.000 2.534 934 E HA 0.348 4.706 4.350 0.013 0.000 0.264 934 E C -0.187 176.468 176.600 0.091 0.000 0.981 934 E CA 0.955 57.388 56.400 0.055 0.000 0.948 934 E CB -0.189 29.568 29.700 0.094 0.000 0.934 934 E HN 0.820 nan 8.360 nan 0.000 0.459 935 N N 1.196 119.984 118.700 0.146 0.000 3.046 935 N HA 0.455 5.203 4.740 0.013 0.000 0.243 935 N C 0.103 175.666 175.510 0.088 0.000 1.452 935 N CA -0.500 52.672 53.050 0.203 0.000 0.882 935 N CB 0.841 39.438 38.487 0.183 0.000 1.425 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.128 107.684 108.800 0.019 0.000 2.155 936 G HA2 -0.275 3.694 3.960 0.013 0.000 0.257 936 G HA3 -0.275 3.694 3.960 0.013 0.000 0.257 936 G C -0.169 174.474 174.900 -0.427 0.000 0.983 936 G CA 0.477 45.468 45.100 -0.181 0.000 0.676 936 G HN 0.739 nan 8.290 nan 0.000 0.528 937 L N -0.164 120.736 121.223 -0.538 0.000 2.506 937 L HA 0.625 4.973 4.340 0.013 0.000 0.281 937 L C 0.691 176.985 176.870 -0.959 0.000 1.228 937 L CA 0.495 54.773 54.840 -0.937 0.000 0.850 937 L CB 0.518 41.666 42.059 -1.519 0.000 1.110 937 L HN 0.260 nan 8.230 nan 0.000 0.496 938 R N 2.518 122.360 120.500 -1.097 0.000 2.532 938 R HA 0.499 4.847 4.340 0.013 0.000 0.297 938 R C -0.967 174.982 176.300 -0.584 0.000 0.984 938 R CA -0.267 55.331 56.100 -0.837 0.000 0.884 938 R CB 1.422 31.078 30.300 -1.072 0.000 1.182 938 R HN 0.710 nan 8.270 nan 0.000 0.442 939 C N 0.269 119.380 119.300 -0.315 0.000 2.380 939 C HA 0.712 5.180 4.460 0.013 0.000 0.393 939 C C 1.309 176.288 174.990 -0.019 0.000 1.284 939 C CA 0.098 59.010 59.018 -0.178 0.000 2.033 939 C CB 1.344 29.000 27.740 -0.140 0.000 2.165 939 C HN 1.023 nan 8.230 nan 0.000 0.540 940 G N 1.615 110.417 108.800 0.004 0.000 2.321 940 G HA2 -0.192 3.777 3.960 0.013 0.000 0.287 940 G HA3 -0.192 3.777 3.960 0.013 0.000 0.287 940 G C -0.027 174.967 174.900 0.156 0.000 1.018 940 G CA 0.663 45.826 45.100 0.106 0.000 0.855 940 G HN 0.787 nan 8.290 nan 0.000 0.507 941 T N 0.017 114.529 114.554 -0.071 0.000 2.799 941 T HA 0.517 4.876 4.350 0.013 0.000 0.286 941 T C 1.313 175.713 174.700 -0.501 0.000 0.973 941 T CA -0.599 61.402 62.100 -0.165 0.000 1.035 941 T CB 1.351 70.165 68.868 -0.091 0.000 0.932 941 T HN 0.206 nan 8.240 nan 0.000 0.469 942 R N 1.538 121.972 120.500 -0.110 0.000 2.282 942 R HA 0.286 4.634 4.340 0.013 0.000 0.195 942 R C 0.496 176.831 176.300 0.058 0.000 0.909 942 R CA 0.183 56.271 56.100 -0.019 0.000 1.039 942 R CB 0.469 30.896 30.300 0.212 0.000 1.015 942 R HN 0.697 nan 8.270 nan 0.000 0.513 943 E N 0.527 120.770 120.200 0.071 0.000 2.335 943 E HA 0.315 4.673 4.350 0.013 0.000 0.280 943 E C -1.879 174.866 176.600 0.241 0.000 0.918 943 E CA -0.661 55.866 56.400 0.213 0.000 0.765 943 E CB 1.539 31.330 29.700 0.151 0.000 1.218 943 E HN -0.091 nan 8.360 nan 0.000 0.425 944 L N 3.957 125.385 121.223 0.341 0.000 2.410 944 L HA 0.593 4.941 4.340 0.013 0.000 0.270 944 L C -1.786 175.269 176.870 0.309 0.000 0.983 944 L CA -0.416 54.559 54.840 0.225 0.000 0.822 944 L CB 1.794 43.850 42.059 -0.005 0.000 1.285 944 L HN 0.484 nan 8.230 nan 0.000 0.409 945 N N 4.340 123.194 118.700 0.257 0.000 2.342 945 N HA 0.396 5.145 4.740 0.013 0.000 0.293 945 N C -1.975 173.747 175.510 0.353 0.000 1.026 945 N CA -0.264 52.935 53.050 0.248 0.000 0.857 945 N CB 2.217 40.798 38.487 0.157 0.000 1.256 945 N HN 0.605 nan 8.380 nan 0.000 0.484 946 Y N 1.302 121.726 120.300 0.206 0.000 2.301 946 Y HA 0.391 4.949 4.550 0.014 0.000 0.325 946 Y C 0.521 176.519 175.900 0.162 0.000 1.103 946 Y CA 0.086 58.313 58.100 0.211 0.000 1.182 946 Y CB 0.447 39.097 38.460 0.316 0.000 1.139 946 Y HN 0.875 nan 8.280 nan 0.000 0.443 947 G N 6.525 115.156 108.800 -0.281 0.000 2.550 947 G HA2 -0.285 3.683 3.960 0.013 0.000 0.277 947 G HA3 -0.285 3.683 3.960 0.013 0.000 0.277 947 G C -1.717 173.060 174.900 -0.204 0.000 1.190 947 G CA -0.015 44.904 45.100 -0.302 0.000 0.971 947 G HN 0.584 nan 8.290 nan 0.000 0.559 948 P HA 0.129 nan 4.420 nan 0.000 0.245 948 P C 0.210 177.286 177.300 -0.374 0.000 1.212 948 P CA 0.855 63.757 63.100 -0.331 0.000 0.774 948 P CB -0.016 31.416 31.700 -0.447 0.000 0.999 949 H N 0.126 119.132 119.070 -0.107 0.000 2.525 949 H HA 0.471 5.035 4.556 0.013 0.000 0.340 949 H C -0.177 174.892 175.328 -0.431 0.000 1.168 949 H CA -0.265 55.608 56.048 -0.292 0.000 1.247 949 H CB 1.815 31.203 29.762 -0.624 0.000 1.568 949 H HN 0.046 nan 8.280 nan 0.000 0.536 950 Q N 2.026 121.591 119.800 -0.392 0.000 2.304 950 Q HA 0.233 4.581 4.340 0.013 0.000 0.270 950 Q C -1.547 174.208 176.000 -0.409 0.000 1.035 950 Q CA -0.695 54.958 55.803 -0.250 0.000 0.781 950 Q CB 1.975 30.693 28.738 -0.033 0.000 1.261 950 Q HN 0.563 nan 8.270 nan 0.000 0.444 951 W N 3.815 125.075 121.300 -0.068 0.000 2.666 951 W HA 0.582 5.250 4.660 0.014 0.000 0.334 951 W C -0.148 176.457 176.519 0.142 0.000 1.051 951 W CA -0.775 56.502 57.345 -0.114 0.000 1.224 951 W CB 1.962 31.145 29.460 -0.463 0.000 1.405 951 W HN 0.528 nan 8.180 nan 0.000 0.513 952 R N 0.593 121.338 120.500 0.409 0.000 2.807 952 R HA 0.798 5.146 4.340 0.013 0.000 0.276 952 R C 0.139 176.733 176.300 0.490 0.000 0.979 952 R CA -0.518 55.844 56.100 0.437 0.000 0.928 952 R CB 2.390 32.851 30.300 0.267 0.000 1.191 952 R HN 0.745 nan 8.270 nan 0.000 0.471 953 G N 0.544 109.627 108.800 0.471 0.000 2.564 953 G HA2 0.034 4.002 3.960 0.013 0.000 0.139 953 G HA3 0.034 4.002 3.960 0.013 0.000 0.139 953 G C -1.799 173.243 174.900 0.237 0.000 1.147 953 G CA -0.351 44.992 45.100 0.405 0.000 1.031 953 G HN 0.490 nan 8.290 nan 0.000 0.482 954 D N 0.067 120.601 120.400 0.223 0.000 2.381 954 D HA 0.571 5.219 4.640 0.013 0.000 0.245 954 D C -0.775 175.524 176.300 -0.002 0.000 1.297 954 D CA -0.465 53.540 54.000 0.008 0.000 0.931 954 D CB 0.188 41.033 40.800 0.075 0.000 1.334 954 D HN 0.530 nan 8.370 nan 0.000 0.535 955 F N -0.184 119.765 119.950 -0.003 0.000 2.706 955 F HA 0.732 5.267 4.527 0.014 0.000 0.328 955 F C -0.819 174.939 175.800 -0.069 0.000 1.123 955 F CA -1.029 56.903 58.000 -0.114 0.000 0.978 955 F CB 0.786 39.713 39.000 -0.122 0.000 1.404 955 F HN -0.182 nan 8.300 nan 0.000 0.497 956 Q N 1.688 121.558 119.800 0.117 0.000 2.306 956 Q HA 0.633 4.981 4.340 0.013 0.000 0.265 956 Q C -1.221 174.843 176.000 0.106 0.000 1.022 956 Q CA -0.521 55.267 55.803 -0.026 0.000 0.853 956 Q CB 2.582 31.202 28.738 -0.198 0.000 1.327 956 Q HN 0.853 nan 8.270 nan 0.000 0.449 957 F N -1.025 118.815 119.950 -0.182 0.000 2.668 957 F HA 0.725 5.260 4.527 0.014 0.000 0.309 957 F C -1.551 174.034 175.800 -0.358 0.000 1.117 957 F CA -1.118 56.730 58.000 -0.253 0.000 0.951 957 F CB 1.523 40.399 39.000 -0.206 0.000 1.323 957 F HN 0.559 nan 8.300 nan 0.000 0.451 958 N N 1.858 120.377 118.700 -0.301 0.000 2.284 958 N HA 0.747 5.495 4.740 0.013 0.000 0.289 958 N C -2.088 173.364 175.510 -0.097 0.000 1.179 958 N CA -0.774 52.081 53.050 -0.326 0.000 0.774 958 N CB 2.684 40.995 38.487 -0.292 0.000 1.548 958 N HN 1.110 nan 8.380 nan 0.000 0.473 959 I N 0.446 120.952 120.570 -0.106 0.000 2.649 959 I HA 0.649 4.827 4.170 0.013 0.000 0.289 959 I C -1.448 174.588 176.117 -0.134 0.000 1.222 959 I CA 0.036 61.244 61.300 -0.154 0.000 1.046 959 I CB 1.332 39.181 38.000 -0.252 0.000 1.272 959 I HN 1.061 nan 8.210 nan 0.000 0.425 960 S N 6.297 121.926 115.700 -0.118 0.000 2.656 960 S HA 0.491 4.969 4.470 0.013 0.000 0.265 960 S C -0.247 174.238 174.600 -0.191 0.000 1.132 960 S CA -0.947 57.171 58.200 -0.136 0.000 0.819 960 S CB 1.632 64.807 63.200 -0.041 0.000 1.119 960 S HN 0.618 nan 8.310 nan 0.000 0.476 961 R N -0.121 120.091 120.500 -0.480 0.000 2.320 961 R HA 0.268 4.616 4.340 0.013 0.000 0.211 961 R C -0.857 175.110 176.300 -0.555 0.000 0.931 961 R CA 0.333 56.128 56.100 -0.508 0.000 1.071 961 R CB -1.117 28.770 30.300 -0.690 0.000 1.025 961 R HN 0.664 nan 8.270 nan 0.000 0.495 962 Y N -0.006 120.247 120.300 -0.078 0.000 2.350 962 Y HA 0.226 4.784 4.550 0.013 0.000 0.338 962 Y C 0.648 176.334 175.900 -0.357 0.000 0.961 962 Y CA -1.181 56.788 58.100 -0.219 0.000 1.100 962 Y CB 1.428 39.708 38.460 -0.300 0.000 1.179 962 Y HN -0.111 nan 8.280 nan 0.000 0.454 963 S N 1.643 117.015 115.700 -0.548 0.000 2.585 963 S HA 0.045 4.523 4.470 0.013 0.000 0.273 963 S C 0.898 175.161 174.600 -0.563 0.000 1.339 963 S CA -0.767 56.755 58.200 -1.130 0.000 1.028 963 S CB 1.212 63.611 63.200 -1.336 0.000 0.906 963 S HN 0.729 nan 8.310 nan 0.000 0.528 964 Q N 0.960 120.435 119.800 -0.541 0.000 2.096 964 Q HA -0.225 4.123 4.340 0.013 0.000 0.204 964 Q C 2.216 178.063 176.000 -0.255 0.000 0.982 964 Q CA 2.037 57.662 55.803 -0.296 0.000 0.850 964 Q CB -0.574 28.023 28.738 -0.235 0.000 0.901 964 Q HN 0.984 nan 8.270 nan 0.000 0.422 965 Q N 0.409 120.016 119.800 -0.321 0.000 2.124 965 Q HA -0.208 4.140 4.340 0.013 0.000 0.202 965 Q C 2.110 177.996 176.000 -0.191 0.000 0.977 965 Q CA 1.440 57.117 55.803 -0.209 0.000 0.850 965 Q CB 0.038 28.660 28.738 -0.192 0.000 0.901 965 Q HN 0.401 nan 8.270 nan 0.000 0.429 966 Q N 0.003 119.657 119.800 -0.243 0.000 2.079 966 Q HA -0.154 4.195 4.340 0.013 0.000 0.200 966 Q C 2.202 178.074 176.000 -0.213 0.000 0.974 966 Q CA 1.164 56.843 55.803 -0.207 0.000 0.840 966 Q CB -0.043 28.547 28.738 -0.247 0.000 0.898 966 Q HN 0.475 nan 8.270 nan 0.000 0.430 967 L N 0.172 121.263 121.223 -0.221 0.000 2.042 967 L HA -0.234 4.114 4.340 0.013 0.000 0.210 967 L C 2.681 179.416 176.870 -0.225 0.000 1.076 967 L CA 1.372 56.078 54.840 -0.223 0.000 0.749 967 L CB -0.383 41.578 42.059 -0.163 0.000 0.893 967 L HN 0.396 nan 8.230 nan 0.000 0.432 968 M N -0.647 118.851 119.600 -0.169 0.000 2.394 968 M HA -0.141 4.347 4.480 0.013 0.000 0.264 968 M C 1.392 177.617 176.300 -0.125 0.000 1.073 968 M CA 1.522 56.739 55.300 -0.139 0.000 1.111 968 M CB 0.139 32.674 32.600 -0.108 0.000 1.401 968 M HN 0.209 nan 8.290 nan 0.000 0.448 969 E N -0.612 119.513 120.200 -0.126 0.000 2.481 969 E HA 0.083 4.441 4.350 0.013 0.000 0.198 969 E C -0.420 176.128 176.600 -0.087 0.000 1.027 969 E CA 0.015 56.364 56.400 -0.084 0.000 0.900 969 E CB 0.629 30.288 29.700 -0.068 0.000 0.993 969 E HN 0.279 nan 8.360 nan 0.000 0.482 970 T N 0.315 114.780 114.554 -0.147 0.000 2.779 970 T HA 0.109 4.467 4.350 0.013 0.000 0.280 970 T C 0.959 175.567 174.700 -0.153 0.000 0.987 970 T CA -0.520 61.495 62.100 -0.140 0.000 0.966 970 T CB 1.668 70.420 68.868 -0.194 0.000 0.933 970 T HN 0.012 nan 8.240 nan 0.000 0.442 971 S N 1.593 117.296 115.700 0.006 0.000 2.524 971 S HA 0.120 4.598 4.470 0.013 0.000 0.216 971 S C 0.203 174.871 174.600 0.114 0.000 0.987 971 S CA 0.128 58.402 58.200 0.123 0.000 0.909 971 S CB -0.223 63.196 63.200 0.364 0.000 0.781 971 S HN 0.740 nan 8.310 nan 0.000 0.521 972 H N 0.601 119.669 119.070 -0.003 0.000 2.771 972 H HA 0.481 5.045 4.556 0.014 0.000 0.361 972 H C 0.928 176.230 175.328 -0.043 0.000 1.108 972 H CA -0.795 55.306 56.048 0.088 0.000 1.201 972 H CB 1.554 31.347 29.762 0.051 0.000 1.681 972 H HN 0.119 nan 8.280 nan 0.000 0.534 973 R N 2.001 122.604 120.500 0.173 0.000 2.127 973 R HA -0.184 4.164 4.340 0.013 0.000 0.238 973 R C 1.333 177.637 176.300 0.007 0.000 1.134 973 R CA 1.948 58.078 56.100 0.050 0.000 0.975 973 R CB -0.487 29.882 30.300 0.114 0.000 0.865 973 R HN 0.782 nan 8.270 nan 0.000 0.447 974 H N 1.328 120.394 119.070 -0.007 0.000 2.518 974 H HA -0.021 4.543 4.556 0.013 0.000 0.289 974 H C 1.553 176.790 175.328 -0.151 0.000 1.051 974 H CA 1.065 57.066 56.048 -0.077 0.000 1.280 974 H CB -0.226 29.479 29.762 -0.095 0.000 1.380 974 H HN 0.339 nan 8.280 nan 0.000 0.566 975 L N 0.831 121.648 121.223 -0.676 0.000 2.558 975 L HA 0.182 4.530 4.340 0.013 0.000 0.225 975 L C 0.841 177.556 176.870 -0.259 0.000 1.128 975 L CA -0.157 54.363 54.840 -0.533 0.000 0.868 975 L CB -0.002 41.723 42.059 -0.556 0.000 1.006 975 L HN 0.040 nan 8.230 nan 0.000 0.454 976 L N 1.070 122.135 121.223 -0.262 0.000 2.461 976 L HA 0.088 4.436 4.340 0.013 0.000 0.272 976 L C 0.269 177.098 176.870 -0.069 0.000 1.197 976 L CA 0.038 54.702 54.840 -0.293 0.000 0.836 976 L CB 0.255 41.894 42.059 -0.701 0.000 1.105 976 L HN 0.221 nan 8.230 nan 0.000 0.477 977 H N 1.754 120.845 119.070 0.036 0.000 2.600 977 H HA 0.594 5.159 4.556 0.014 0.000 0.357 977 H C -0.744 174.696 175.328 0.187 0.000 1.106 977 H CA -1.233 54.871 56.048 0.094 0.000 1.193 977 H CB 1.311 31.085 29.762 0.020 0.000 1.594 977 H HN 0.677 nan 8.280 nan 0.000 0.526 978 A N 3.668 126.585 122.820 0.162 0.000 2.511 978 A HA 0.088 4.416 4.320 0.013 0.000 0.242 978 A C 0.387 178.010 177.584 0.065 0.000 1.069 978 A CA -0.155 51.827 52.037 -0.092 0.000 0.763 978 A CB -0.000 18.927 19.000 -0.122 0.000 1.001 978 A HN 0.864 nan 8.150 nan 0.000 0.498 979 E N 0.739 120.941 120.200 0.005 0.000 2.359 979 E HA 0.208 4.566 4.350 0.013 0.000 0.255 979 E C -0.028 176.624 176.600 0.086 0.000 1.191 979 E CA -0.663 55.831 56.400 0.157 0.000 0.952 979 E CB 0.620 30.470 29.700 0.250 0.000 1.152 979 E HN 0.797 nan 8.360 nan 0.000 0.496 980 E N 0.082 120.330 120.200 0.080 0.000 2.392 980 E HA 0.229 4.587 4.350 0.013 0.000 0.264 980 E C 0.142 176.720 176.600 -0.038 0.000 1.024 980 E CA 0.519 56.928 56.400 0.015 0.000 0.903 980 E CB 0.352 30.056 29.700 0.006 0.000 0.963 980 E HN 0.656 nan 8.360 nan 0.000 0.432 981 G N 2.542 111.318 108.800 -0.040 0.000 2.782 981 G HA2 -0.205 3.763 3.960 0.013 0.000 0.228 981 G HA3 -0.205 3.763 3.960 0.013 0.000 0.228 981 G C -0.679 174.165 174.900 -0.093 0.000 1.372 981 G CA -0.282 44.772 45.100 -0.076 0.000 0.862 981 G HN 0.602 nan 8.290 nan 0.000 0.547 982 T N 0.323 114.796 114.554 -0.135 0.000 2.841 982 T HA 0.507 4.865 4.350 0.013 0.000 0.285 982 T C -0.643 173.889 174.700 -0.280 0.000 0.991 982 T CA -0.170 61.848 62.100 -0.136 0.000 0.966 982 T CB 1.250 70.102 68.868 -0.027 0.000 0.962 982 T HN 0.567 nan 8.240 nan 0.000 0.438 983 W N 3.277 124.475 121.300 -0.171 0.000 2.322 983 W HA 0.567 5.235 4.660 0.014 0.000 0.307 983 W C -0.240 176.135 176.519 -0.241 0.000 1.220 983 W CA -0.691 56.550 57.345 -0.175 0.000 1.210 983 W CB 0.675 30.044 29.460 -0.150 0.000 1.223 983 W HN 0.361 nan 8.180 nan 0.000 0.511 984 L N 5.864 127.051 121.223 -0.060 0.000 2.305 984 L HA 0.486 4.834 4.340 0.013 0.000 0.284 984 L C -0.896 175.867 176.870 -0.179 0.000 1.013 984 L CA -0.509 54.182 54.840 -0.248 0.000 0.819 984 L CB 0.691 42.437 42.059 -0.522 0.000 1.227 984 L HN 0.312 nan 8.230 nan 0.000 0.417 985 N N 6.963 125.556 118.700 -0.177 0.000 2.446 985 N HA 0.457 5.205 4.740 0.013 0.000 0.265 985 N C -1.150 174.216 175.510 -0.240 0.000 0.975 985 N CA -0.212 52.733 53.050 -0.175 0.000 0.928 985 N CB 2.170 40.582 38.487 -0.124 0.000 1.160 985 N HN 0.567 nan 8.380 nan 0.000 0.495 986 I N 1.903 122.281 120.570 -0.320 0.000 2.382 986 I HA 0.229 4.407 4.170 0.013 0.000 0.286 986 I C -0.728 175.193 176.117 -0.326 0.000 1.002 986 I CA -0.619 60.455 61.300 -0.377 0.000 1.135 986 I CB 1.620 39.196 38.000 -0.706 0.000 1.288 986 I HN 0.176 nan 8.210 nan 0.000 0.448 987 D N 4.464 124.710 120.400 -0.257 0.000 2.256 987 D HA 0.287 4.935 4.640 0.013 0.000 0.246 987 D C 0.903 176.886 176.300 -0.528 0.000 1.042 987 D CA -0.266 53.515 54.000 -0.366 0.000 0.841 987 D CB 2.458 43.145 40.800 -0.188 0.000 1.223 987 D HN 0.685 nan 8.370 nan 0.000 0.470 988 G N 0.963 109.142 108.800 -1.035 0.000 2.403 988 G HA2 -0.021 3.947 3.960 0.013 0.000 0.216 988 G HA3 -0.021 3.947 3.960 0.013 0.000 0.216 988 G C 0.099 174.238 174.900 -1.269 0.000 1.154 988 G CA 0.624 44.981 45.100 -1.239 0.000 0.784 988 G HN 0.368 nan 8.290 nan 0.000 0.538 989 F N -2.151 117.601 119.950 -0.329 0.000 2.601 989 F HA 0.620 5.155 4.527 0.013 0.000 0.309 989 F C -0.531 175.173 175.800 -0.160 0.000 1.089 989 F CA -1.151 56.737 58.000 -0.187 0.000 0.940 989 F CB 2.214 41.031 39.000 -0.305 0.000 1.273 989 F HN 0.041 nan 8.300 nan 0.000 0.450 990 H N 1.727 120.796 119.070 -0.001 0.000 2.865 990 H HA 0.512 5.076 4.556 0.013 0.000 0.362 990 H C -0.865 174.485 175.328 0.037 0.000 1.114 990 H CA -0.852 55.173 56.048 -0.038 0.000 1.208 990 H CB 1.821 31.548 29.762 -0.058 0.000 1.727 990 H HN 0.772 nan 8.280 nan 0.000 0.534 991 M N 3.444 122.997 119.600 -0.080 0.000 2.240 991 M HA 0.309 4.797 4.480 0.013 0.000 0.333 991 M C 0.533 176.946 176.300 0.188 0.000 1.110 991 M CA 0.342 55.666 55.300 0.040 0.000 1.173 991 M CB 0.418 32.935 32.600 -0.137 0.000 1.458 991 M HN 0.826 nan 8.290 nan 0.000 0.458 992 G N 2.446 111.337 108.800 0.151 0.000 2.716 992 G HA2 0.254 4.222 3.960 0.013 0.000 0.251 992 G HA3 0.254 4.222 3.960 0.013 0.000 0.251 992 G C 0.571 175.456 174.900 -0.026 0.000 1.224 992 G CA -0.238 44.879 45.100 0.028 0.000 0.891 992 G HN 0.973 nan 8.290 nan 0.000 0.561 993 I N -2.110 118.392 120.570 -0.113 0.000 3.708 993 I HA 0.440 4.618 4.170 0.013 0.000 0.302 993 I C 1.173 177.225 176.117 -0.108 0.000 1.255 993 I CA 0.449 61.647 61.300 -0.171 0.000 1.362 993 I CB -0.471 37.318 38.000 -0.351 0.000 1.100 993 I HN 0.975 nan 8.210 nan 0.000 0.434 994 G N 1.490 110.248 108.800 -0.069 0.000 2.698 994 G HA2 0.062 4.030 3.960 0.013 0.000 0.233 994 G HA3 0.062 4.030 3.960 0.013 0.000 0.233 994 G C 0.527 175.425 174.900 -0.003 0.000 1.352 994 G CA 0.048 45.146 45.100 -0.003 0.000 0.879 994 G HN 1.335 nan 8.290 nan 0.000 0.567 995 G N -2.371 106.442 108.800 0.022 0.000 2.613 995 G HA2 0.013 3.981 3.960 0.013 0.000 0.199 995 G HA3 0.013 3.981 3.960 0.013 0.000 0.199 995 G C 0.666 175.621 174.900 0.092 0.000 0.991 995 G CA 0.924 46.045 45.100 0.036 0.000 0.756 995 G HN 0.986 nan 8.290 nan 0.000 0.515 996 D N 1.313 121.791 120.400 0.130 0.000 2.239 996 D HA 0.087 4.735 4.640 0.013 0.000 0.202 996 D C 0.999 177.332 176.300 0.056 0.000 0.993 996 D CA 2.109 56.250 54.000 0.234 0.000 0.874 996 D CB 0.127 41.072 40.800 0.242 0.000 0.922 996 D HN 0.810 nan 8.370 nan 0.000 0.464 997 D N -3.477 116.750 120.400 -0.287 0.000 2.665 997 D HA 0.308 4.956 4.640 0.013 0.000 0.287 997 D C -0.804 175.010 176.300 -0.810 0.000 1.266 997 D CA -0.737 52.660 54.000 -1.005 0.000 0.830 997 D CB 0.809 40.428 40.800 -1.967 0.000 1.356 997 D HN -0.307 nan 8.370 nan 0.000 0.437 998 S N -0.570 114.521 115.700 -1.015 0.000 2.624 998 S HA 0.257 4.735 4.470 0.013 0.000 0.246 998 S C -0.605 174.058 174.600 0.104 0.000 1.072 998 S CA -0.663 57.420 58.200 -0.195 0.000 1.045 998 S CB -0.500 62.815 63.200 0.192 0.000 0.851 998 S HN 0.607 nan 8.310 nan 0.000 0.480 999 W N 0.697 121.954 121.300 -0.072 0.000 2.079 999 W HA 0.499 5.167 4.660 0.012 0.000 0.285 999 W C 0.088 176.567 176.519 -0.067 0.000 0.891 999 W CA -0.426 56.877 57.345 -0.069 0.000 1.308 999 W CB -0.439 28.913 29.460 -0.179 0.000 1.047 999 W HN 0.194 nan 8.180 nan 0.000 0.522 1000 S N -0.893 114.686 115.700 -0.202 0.000 2.570 1000 S HA 0.657 5.135 4.470 0.013 0.000 0.270 1000 S C -3.123 171.409 174.600 -0.113 0.000 1.149 1000 S CA -1.677 56.456 58.200 -0.112 0.000 0.837 1000 S CB 1.775 64.931 63.200 -0.073 0.000 1.124 1000 S HN -0.242 nan 8.310 nan 0.000 0.465 1001 P HA 0.223 nan 4.420 nan 0.000 0.264 1001 P C 0.310 177.643 177.300 0.056 0.000 1.193 1001 P CA -0.068 63.028 63.100 -0.007 0.000 0.763 1001 P CB 0.732 32.294 31.700 -0.230 0.000 0.810 1002 S N 0.426 116.210 115.700 0.139 0.000 2.847 1002 S HA 0.146 4.624 4.470 0.013 0.000 0.254 1002 S C 0.171 174.864 174.600 0.155 0.000 1.039 1002 S CA -0.305 57.953 58.200 0.096 0.000 1.113 1002 S CB -0.273 62.932 63.200 0.008 0.000 1.092 1002 S HN 0.116 nan 8.310 nan 0.000 0.620 1003 V N 2.789 122.847 119.914 0.240 0.000 2.488 1003 V HA 0.414 4.542 4.120 0.013 0.000 0.277 1003 V C 0.814 177.070 176.094 0.269 0.000 1.046 1003 V CA -0.306 62.119 62.300 0.209 0.000 0.986 1003 V CB 1.193 33.096 31.823 0.133 0.000 0.989 1003 V HN 0.512 nan 8.190 nan 0.000 0.475 1004 S N 3.811 119.681 115.700 0.284 0.000 2.568 1004 S HA 0.271 4.749 4.470 0.013 0.000 0.282 1004 S C 1.529 176.275 174.600 0.243 0.000 1.338 1004 S CA 0.084 58.442 58.200 0.263 0.000 1.045 1004 S CB 1.098 64.479 63.200 0.302 0.000 0.873 1004 S HN 0.997 nan 8.310 nan 0.000 0.516 1005 A N 3.622 126.540 122.820 0.164 0.000 1.917 1005 A HA -0.161 4.167 4.320 0.013 0.000 0.219 1005 A C 1.998 179.619 177.584 0.062 0.000 1.182 1005 A CA 1.913 54.032 52.037 0.137 0.000 0.633 1005 A CB -0.701 18.355 19.000 0.093 0.000 0.819 1005 A HN 0.960 nan 8.150 nan 0.000 0.448 1006 E N -0.863 119.308 120.200 -0.048 0.000 2.472 1006 E HA -0.130 4.228 4.350 0.013 0.000 0.200 1006 E C 0.784 177.171 176.600 -0.354 0.000 1.046 1006 E CA 0.809 57.067 56.400 -0.236 0.000 0.871 1006 E CB -0.475 28.985 29.700 -0.400 0.000 0.806 1006 E HN 0.702 nan 8.360 nan 0.000 0.533 1007 F N 0.915 120.921 119.950 0.093 0.000 2.661 1007 F HA 0.263 4.798 4.527 0.013 0.000 0.306 1007 F C 0.903 176.748 175.800 0.076 0.000 1.094 1007 F CA -0.531 57.525 58.000 0.094 0.000 1.254 1007 F CB 0.596 39.652 39.000 0.093 0.000 1.040 1007 F HN -0.190 nan 8.300 nan 0.000 0.562 1008 Q N 1.332 121.251 119.800 0.198 0.000 2.235 1008 Q HA 0.400 4.748 4.340 0.013 0.000 0.250 1008 Q C -0.267 175.778 176.000 0.075 0.000 0.909 1008 Q CA -0.478 55.417 55.803 0.153 0.000 0.910 1008 Q CB 1.833 30.739 28.738 0.280 0.000 1.223 1008 Q HN 0.248 nan 8.270 nan 0.000 0.432 1009 L N 2.437 123.695 121.223 0.059 0.000 2.399 1009 L HA 0.124 4.473 4.340 0.013 0.000 0.257 1009 L C 0.605 177.472 176.870 -0.004 0.000 1.236 1009 L CA -0.080 54.789 54.840 0.049 0.000 1.144 1009 L CB -0.245 41.731 42.059 -0.139 0.000 1.379 1009 L HN 0.684 nan 8.230 nan 0.000 0.414 1010 S N -0.992 114.613 115.700 -0.159 0.000 2.578 1010 S HA 0.160 4.638 4.470 0.013 0.000 0.231 1010 S C 1.568 176.097 174.600 -0.117 0.000 0.994 1010 S CA 0.162 58.093 58.200 -0.449 0.000 0.956 1010 S CB 0.755 63.498 63.200 -0.761 0.000 0.870 1010 S HN 0.515 nan 8.310 nan 0.000 0.494 1011 A N 1.358 124.144 122.820 -0.058 0.000 2.172 1011 A HA 0.474 4.802 4.320 0.013 0.000 0.216 1011 A C 2.080 179.522 177.584 -0.237 0.000 1.154 1011 A CA 1.073 52.946 52.037 -0.274 0.000 0.701 1011 A CB -1.253 17.350 19.000 -0.662 0.000 0.789 1011 A HN 1.441 nan 8.150 nan 0.000 0.465 1012 G N -1.104 107.669 108.800 -0.045 0.000 2.708 1012 G HA2 -0.312 3.656 3.960 0.013 0.000 0.229 1012 G HA3 -0.312 3.656 3.960 0.013 0.000 0.229 1012 G C 0.483 175.389 174.900 0.010 0.000 1.236 1012 G CA 0.508 45.624 45.100 0.027 0.000 0.749 1012 G HN 0.680 nan 8.290 nan 0.000 0.515 1013 R N -0.459 119.925 120.500 -0.193 0.000 2.561 1013 R HA 0.674 5.022 4.340 0.013 0.000 0.297 1013 R C -1.572 174.502 176.300 -0.377 0.000 0.969 1013 R CA -0.574 55.453 56.100 -0.122 0.000 0.879 1013 R CB 1.504 31.764 30.300 -0.066 0.000 1.178 1013 R HN 0.260 nan 8.270 nan 0.000 0.445 1014 Y N 0.492 120.785 120.300 -0.012 0.000 2.477 1014 Y HA 0.322 4.880 4.550 0.013 0.000 0.347 1014 Y C -0.372 175.660 175.900 0.220 0.000 0.981 1014 Y CA -0.814 57.241 58.100 -0.075 0.000 1.033 1014 Y CB 2.105 40.402 38.460 -0.272 0.000 1.245 1014 Y HN 0.581 nan 8.280 nan 0.000 0.455 1015 H N 2.996 122.308 119.070 0.402 0.000 2.600 1015 H HA 0.639 5.203 4.556 0.013 0.000 0.357 1015 H C -1.669 174.041 175.328 0.637 0.000 1.106 1015 H CA -0.886 55.403 56.048 0.402 0.000 1.193 1015 H CB 1.204 31.104 29.762 0.230 0.000 1.594 1015 H HN 0.579 nan 8.280 nan 0.000 0.526 1016 Y N 1.276 121.361 120.300 -0.359 0.000 2.638 1016 Y HA 0.531 5.089 4.550 0.014 0.000 0.335 1016 Y C -1.870 173.833 175.900 -0.328 0.000 1.155 1016 Y CA -1.059 56.928 58.100 -0.188 0.000 1.046 1016 Y CB 1.502 39.964 38.460 0.003 0.000 1.303 1016 Y HN 0.631 nan 8.280 nan 0.000 0.460 1017 Q N 1.959 121.771 119.800 0.020 0.000 2.340 1017 Q HA 0.641 4.989 4.340 0.013 0.000 0.276 1017 Q C -2.266 173.837 176.000 0.171 0.000 1.048 1017 Q CA -0.731 55.075 55.803 0.005 0.000 0.832 1017 Q CB 3.270 32.046 28.738 0.064 0.000 1.373 1017 Q HN 0.969 nan 8.270 nan 0.000 0.409 1018 L N 1.229 122.539 121.223 0.145 0.000 2.393 1018 L HA 0.666 5.014 4.340 0.013 0.000 0.260 1018 L C -1.093 175.903 176.870 0.211 0.000 1.002 1018 L CA -0.803 54.158 54.840 0.203 0.000 0.818 1018 L CB 2.630 44.786 42.059 0.162 0.000 1.369 1018 L HN 0.347 nan 8.230 nan 0.000 0.412 1019 V N 1.062 121.126 119.914 0.250 0.000 2.444 1019 V HA 0.388 4.516 4.120 0.013 0.000 0.294 1019 V C -1.297 174.979 176.094 0.304 0.000 1.022 1019 V CA -0.512 61.940 62.300 0.253 0.000 0.850 1019 V CB 1.855 33.799 31.823 0.201 0.000 0.992 1019 V HN 0.602 nan 8.190 nan 0.000 0.426 1020 W N 6.849 128.213 121.300 0.107 0.000 2.429 1020 W HA 0.726 5.395 4.660 0.014 0.000 0.314 1020 W C -0.257 176.265 176.519 0.005 0.000 1.062 1020 W CA -1.194 56.126 57.345 -0.043 0.000 1.211 1020 W CB 1.449 30.946 29.460 0.062 0.000 1.305 1020 W HN 0.866 nan 8.180 nan 0.000 0.476 1021 C N 4.056 123.586 119.300 0.385 0.000 3.236 1021 C HA 0.768 5.236 4.460 0.013 0.000 0.312 1021 C C -0.616 174.488 174.990 0.190 0.000 1.374 1021 C CA -0.906 58.265 59.018 0.256 0.000 1.455 1021 C CB 1.498 29.341 27.740 0.172 0.000 1.834 1021 C HN 0.671 nan 8.230 nan 0.000 0.460 1022 Q N 2.115 121.981 119.800 0.110 0.000 2.425 1022 Q HA 0.790 5.138 4.340 0.013 0.000 0.254 1022 Q C -0.451 175.544 176.000 -0.008 0.000 1.032 1022 Q CA 0.244 56.057 55.803 0.015 0.000 0.798 1022 Q CB 0.391 29.094 28.738 -0.057 0.000 1.210 1022 Q HN 0.972 nan 8.270 nan 0.000 0.491 1023 K N 0.000 120.383 120.400 -0.029 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 1023 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543