REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1px3_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP 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 IAVSEAXRID 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 0.000 176.105 176.300 -0.325 0.000 0.893 13 R CA 0.000 55.977 56.100 -0.204 0.000 0.921 13 R CB 0.000 30.175 30.300 -0.208 0.000 0.687 14 R N 1.412 121.591 120.500 -0.535 0.000 3.657 14 R HA 0.123 4.470 4.340 0.012 0.000 0.220 14 R C -0.183 175.525 176.300 -0.988 0.000 1.548 14 R CA -0.320 55.028 56.100 -1.252 0.000 1.465 14 R CB 0.113 29.824 30.300 -0.981 0.000 1.330 14 R HN 0.511 nan 8.270 nan 0.000 0.707 15 D N 1.085 121.113 120.400 -0.621 0.000 2.263 15 D HA -0.187 4.460 4.640 0.012 0.000 0.208 15 D C 1.352 177.550 176.300 -0.169 0.000 0.971 15 D CA 1.141 54.903 54.000 -0.397 0.000 0.867 15 D CB 0.139 40.565 40.800 -0.623 0.000 0.929 15 D HN 0.650 nan 8.370 nan 0.000 0.492 16 W N 1.235 122.566 121.300 0.053 0.000 3.077 16 W HA 0.177 4.844 4.660 0.012 0.000 0.245 16 W C 0.706 177.327 176.519 0.169 0.000 1.316 16 W CA -0.174 57.306 57.345 0.225 0.000 1.537 16 W CB -0.208 29.436 29.460 0.307 0.000 1.131 16 W HN -0.199 nan 8.180 nan 0.000 0.695 17 E N 1.058 121.078 120.200 -0.299 0.000 2.989 17 E HA 0.049 4.406 4.350 0.012 0.000 0.207 17 E C -0.752 175.698 176.600 -0.250 0.000 0.989 17 E CA -0.208 56.076 56.400 -0.193 0.000 1.186 17 E CB -0.252 29.312 29.700 -0.227 0.000 1.141 17 E HN 0.016 nan 8.360 nan 0.000 0.454 18 N N 0.831 119.417 118.700 -0.189 0.000 2.571 18 N HA 0.142 4.889 4.740 0.012 0.000 0.286 18 N C -2.381 172.994 175.510 -0.226 0.000 1.138 18 N CA -1.925 50.982 53.050 -0.239 0.000 0.859 18 N CB 1.529 39.886 38.487 -0.218 0.000 1.414 18 N HN -0.179 nan 8.380 nan 0.000 0.529 19 P HA 0.072 nan 4.420 nan 0.000 0.230 19 P C 1.067 178.131 177.300 -0.392 0.000 1.158 19 P CA 0.630 63.409 63.100 -0.535 0.000 0.769 19 P CB 0.148 31.069 31.700 -1.297 0.000 0.807 20 G N -0.567 108.046 108.800 -0.312 0.000 2.712 20 G HA2 0.073 4.040 3.960 0.012 0.000 0.212 20 G HA3 0.073 4.040 3.960 0.012 0.000 0.212 20 G C 0.228 175.049 174.900 -0.132 0.000 1.142 20 G CA 0.184 45.152 45.100 -0.220 0.000 0.789 20 G HN 0.211 nan 8.290 nan 0.000 0.535 21 V N 1.475 121.331 119.914 -0.097 0.000 2.380 21 V HA 0.287 4.414 4.120 0.012 0.000 0.286 21 V C 0.799 176.943 176.094 0.085 0.000 1.015 21 V CA 0.049 62.342 62.300 -0.012 0.000 0.834 21 V CB 1.344 33.145 31.823 -0.036 0.000 1.009 21 V HN 0.315 nan 8.190 nan 0.000 0.428 22 T N 0.733 115.331 114.554 0.074 0.000 3.023 22 T HA 0.354 4.711 4.350 0.012 0.000 0.253 22 T C 0.274 175.021 174.700 0.078 0.000 1.038 22 T CA 0.132 62.281 62.100 0.082 0.000 0.962 22 T CB 0.325 69.197 68.868 0.007 0.000 1.018 22 T HN 0.690 nan 8.240 nan 0.000 0.521 23 Q N 0.199 120.086 119.800 0.147 0.000 2.756 23 Q HA 0.695 5.042 4.340 0.012 0.000 0.295 23 Q C -2.235 173.898 176.000 0.222 0.000 0.903 23 Q CA -1.093 54.797 55.803 0.145 0.000 0.768 23 Q CB 0.921 29.663 28.738 0.006 0.000 1.472 23 Q HN 0.211 nan 8.270 nan 0.000 0.416 24 L N 1.458 122.833 121.223 0.253 0.000 2.470 24 L HA 0.601 4.948 4.340 0.012 0.000 0.268 24 L C -0.647 176.334 176.870 0.185 0.000 0.964 24 L CA -0.907 54.081 54.840 0.246 0.000 0.839 24 L CB 1.962 44.277 42.059 0.426 0.000 1.276 24 L HN 0.840 nan 8.230 nan 0.000 0.403 25 N N 0.666 119.448 118.700 0.137 0.000 2.753 25 N HA -0.216 4.531 4.740 0.012 0.000 0.251 25 N C 0.190 175.785 175.510 0.141 0.000 1.097 25 N CA 0.840 53.962 53.050 0.120 0.000 0.786 25 N CB -0.861 37.654 38.487 0.047 0.000 1.137 25 N HN 0.660 nan 8.380 nan 0.000 0.566 26 R N 0.980 121.493 120.500 0.021 0.000 2.438 26 R HA 0.376 4.723 4.340 0.012 0.000 0.287 26 R C 0.634 176.805 176.300 -0.216 0.000 1.077 26 R CA -0.363 55.544 56.100 -0.321 0.000 1.034 26 R CB 0.537 30.635 30.300 -0.336 0.000 0.993 26 R HN 0.122 nan 8.270 nan 0.000 0.459 27 L N 2.878 123.942 121.223 -0.266 0.000 2.472 27 L HA 0.295 4.642 4.340 0.012 0.000 0.260 27 L C 0.748 177.571 176.870 -0.077 0.000 1.209 27 L CA -0.589 54.188 54.840 -0.106 0.000 0.817 27 L CB 0.533 42.561 42.059 -0.052 0.000 1.106 27 L HN 0.749 nan 8.230 nan 0.000 0.479 28 A N 1.010 123.827 122.820 -0.006 0.000 2.466 28 A HA 0.491 4.818 4.320 0.012 0.000 0.238 28 A C 0.288 177.891 177.584 0.032 0.000 1.074 28 A CA 0.032 52.074 52.037 0.009 0.000 0.774 28 A CB 0.164 19.195 19.000 0.053 0.000 1.015 28 A HN 0.798 nan 8.150 nan 0.000 0.498 29 A N 1.131 123.919 122.820 -0.053 0.000 2.332 29 A HA 0.683 5.010 4.320 0.012 0.000 0.258 29 A C 0.093 177.609 177.584 -0.114 0.000 1.087 29 A CA 0.416 52.345 52.037 -0.181 0.000 0.802 29 A CB -0.059 18.829 19.000 -0.187 0.000 1.042 29 A HN 1.766 nan 8.150 nan 0.000 0.489 30 H N -1.988 116.929 119.070 -0.256 0.000 2.932 30 H HA 0.668 5.231 4.556 0.012 0.000 0.307 30 H C -3.366 171.672 175.328 -0.483 0.000 1.391 30 H CA -1.881 53.949 56.048 -0.364 0.000 1.130 30 H CB 0.176 29.613 29.762 -0.542 0.000 1.836 30 H HN 0.378 nan 8.280 nan 0.000 0.522 31 P HA 0.247 nan 4.420 nan 0.000 0.276 31 P C -2.618 174.493 177.300 -0.315 0.000 1.252 31 P CA -1.596 61.277 63.100 -0.378 0.000 0.802 31 P CB -0.105 31.286 31.700 -0.515 0.000 1.035 32 P HA 0.031 nan 4.420 nan 0.000 0.261 32 P C -0.771 176.720 177.300 0.318 0.000 1.183 32 P CA 1.177 64.310 63.100 0.055 0.000 0.761 32 P CB -0.137 31.635 31.700 0.121 0.000 0.785 33 F N 1.408 121.469 119.950 0.184 0.000 2.556 33 F HA 0.611 5.145 4.527 0.012 0.000 0.327 33 F C 0.992 176.742 175.800 -0.084 0.000 1.059 33 F CA -1.036 57.023 58.000 0.098 0.000 0.953 33 F CB 2.167 41.193 39.000 0.043 0.000 1.227 33 F HN 0.206 nan 8.300 nan 0.000 0.478 34 A N 0.266 123.032 122.820 -0.089 0.000 2.664 34 A HA 0.242 4.569 4.320 0.012 0.000 0.222 34 A C 0.541 177.843 177.584 -0.469 0.000 1.320 34 A CA 0.424 52.175 52.037 -0.476 0.000 1.029 34 A CB -0.091 18.178 19.000 -1.219 0.000 1.318 34 A HN 0.752 nan 8.150 nan 0.000 0.589 35 S N 0.437 115.973 115.700 -0.274 0.000 3.524 35 S HA -0.146 4.331 4.470 0.012 0.000 0.377 35 S C -0.002 174.540 174.600 -0.097 0.000 0.949 35 S CA 0.433 58.526 58.200 -0.177 0.000 1.264 35 S CB -1.553 61.538 63.200 -0.182 0.000 0.918 35 S HN 0.468 nan 8.310 nan 0.000 0.517 36 W N 1.846 123.125 121.300 -0.035 0.000 2.137 36 W HA 0.265 4.932 4.660 0.011 0.000 0.344 36 W C 1.391 177.887 176.519 -0.038 0.000 1.286 36 W CA -0.572 56.758 57.345 -0.025 0.000 1.240 36 W CB 0.283 29.728 29.460 -0.025 0.000 1.141 36 W HN 0.349 nan 8.180 nan 0.000 0.579 37 R N 1.741 122.366 120.500 0.209 0.000 2.509 37 R HA 0.084 4.431 4.340 0.012 0.000 0.300 37 R C -0.061 176.291 176.300 0.086 0.000 0.985 37 R CA -0.101 56.063 56.100 0.105 0.000 1.092 37 R CB -0.162 30.170 30.300 0.052 0.000 1.237 37 R HN 0.354 nan 8.270 nan 0.000 0.546 38 N N -0.049 118.714 118.700 0.105 0.000 2.397 38 N HA 0.123 4.870 4.740 0.012 0.000 0.291 38 N C -0.152 175.324 175.510 -0.056 0.000 1.065 38 N CA -0.054 53.009 53.050 0.022 0.000 0.884 38 N CB 1.963 40.465 38.487 0.025 0.000 1.551 38 N HN -0.270 nan 8.380 nan 0.000 0.487 39 S N 2.254 117.901 115.700 -0.089 0.000 2.406 39 S HA -0.132 4.345 4.470 0.012 0.000 0.228 39 S C 1.366 175.794 174.600 -0.287 0.000 1.020 39 S CA 0.941 59.043 58.200 -0.164 0.000 0.965 39 S CB 0.025 63.161 63.200 -0.107 0.000 0.798 39 S HN 0.765 nan 8.310 nan 0.000 0.488 40 E N 1.725 121.779 120.200 -0.244 0.000 2.150 40 E HA -0.123 4.234 4.350 0.012 0.000 0.193 40 E C 1.772 178.159 176.600 -0.355 0.000 0.985 40 E CA 1.015 57.229 56.400 -0.310 0.000 0.814 40 E CB -0.126 29.448 29.700 -0.210 0.000 0.752 40 E HN 0.240 nan 8.360 nan 0.000 0.466 41 E N 0.268 120.276 120.200 -0.320 0.000 2.110 41 E HA -0.141 4.216 4.350 0.012 0.000 0.193 41 E C 1.965 178.024 176.600 -0.900 0.000 0.988 41 E CA 1.145 57.327 56.400 -0.363 0.000 0.804 41 E CB -0.495 29.144 29.700 -0.102 0.000 0.745 41 E HN 0.404 nan 8.360 nan 0.000 0.458 42 A N 1.489 123.570 122.820 -1.232 0.000 1.873 42 A HA -0.178 4.149 4.320 0.012 0.000 0.215 42 A C 2.249 179.251 177.584 -0.969 0.000 1.186 42 A CA 1.628 52.622 52.037 -1.738 0.000 0.616 42 A CB -0.494 17.926 19.000 -0.966 0.000 0.823 42 A HN 0.145 nan 8.150 nan 0.000 0.442 43 R N -0.151 119.950 120.500 -0.666 0.000 2.091 43 R HA -0.145 4.202 4.340 0.012 0.000 0.238 43 R C 2.079 178.120 176.300 -0.432 0.000 1.136 43 R CA 2.168 57.923 56.100 -0.575 0.000 0.959 43 R CB -0.535 29.285 30.300 -0.798 0.000 0.856 43 R HN 0.635 nan 8.270 nan 0.000 0.437 44 T N -2.565 111.752 114.554 -0.394 0.000 3.118 44 T HA -0.010 4.347 4.350 0.012 0.000 0.260 44 T C 0.452 175.062 174.700 -0.150 0.000 1.139 44 T CA 0.751 62.711 62.100 -0.232 0.000 1.085 44 T CB -0.034 68.727 68.868 -0.179 0.000 0.934 44 T HN 0.408 nan 8.240 nan 0.000 0.518 45 D N 0.479 120.747 120.400 -0.220 0.000 3.041 45 D HA -0.160 4.487 4.640 0.012 0.000 0.220 45 D C 0.077 176.487 176.300 0.183 0.000 1.157 45 D CA 0.470 54.485 54.000 0.025 0.000 0.876 45 D CB -1.171 39.691 40.800 0.102 0.000 1.107 45 D HN 0.587 nan 8.370 nan 0.000 0.422 46 R N 0.110 120.681 120.500 0.119 0.000 2.637 46 R HA 0.463 4.810 4.340 0.012 0.000 0.269 46 R C -2.070 174.479 176.300 0.415 0.000 1.089 46 R CA -1.228 54.995 56.100 0.204 0.000 1.177 46 R CB 0.163 30.527 30.300 0.106 0.000 1.091 46 R HN 0.086 nan 8.270 nan 0.000 0.540 47 P HA -0.029 nan 4.420 nan 0.000 0.270 47 P C -0.792 176.668 177.300 0.267 0.000 1.223 47 P CA 0.012 63.254 63.100 0.237 0.000 0.785 47 P CB 0.703 32.488 31.700 0.141 0.000 0.923 48 S N 0.917 116.647 115.700 0.050 0.000 2.449 48 S HA 0.138 4.615 4.470 0.012 0.000 0.310 48 S C 0.904 175.510 174.600 0.009 0.000 1.096 48 S CA -0.482 57.663 58.200 -0.091 0.000 1.095 48 S CB 0.425 63.263 63.200 -0.603 0.000 1.007 48 S HN 0.181 nan 8.310 nan 0.000 0.474 49 Q N 2.697 122.541 119.800 0.073 0.000 2.364 49 Q HA -0.026 4.321 4.340 0.012 0.000 0.209 49 Q C 1.022 177.139 176.000 0.196 0.000 0.977 49 Q CA 1.361 57.241 55.803 0.129 0.000 0.885 49 Q CB -0.147 28.667 28.738 0.125 0.000 0.941 49 Q HN 0.694 nan 8.270 nan 0.000 0.464 50 Q N -0.760 119.071 119.800 0.053 0.000 2.360 50 Q HA 0.153 4.500 4.340 0.012 0.000 0.202 50 Q C -0.489 175.553 176.000 0.070 0.000 0.915 50 Q CA 0.055 55.842 55.803 -0.027 0.000 0.943 50 Q CB 0.527 29.162 28.738 -0.172 0.000 1.064 50 Q HN 0.024 nan 8.270 nan 0.000 0.511 51 L N 0.850 122.131 121.223 0.096 0.000 2.388 51 L HA 0.445 4.792 4.340 0.012 0.000 0.267 51 L C -1.165 175.785 176.870 0.134 0.000 0.995 51 L CA -0.400 54.494 54.840 0.089 0.000 0.864 51 L CB 0.947 42.967 42.059 -0.065 0.000 1.216 51 L HN -0.087 nan 8.230 nan 0.000 0.430 52 R N 2.159 122.773 120.500 0.189 0.000 2.668 52 R HA 0.643 4.990 4.340 0.012 0.000 0.279 52 R C -0.479 175.846 176.300 0.042 0.000 0.976 52 R CA -0.739 55.420 56.100 0.097 0.000 0.978 52 R CB 1.936 32.259 30.300 0.039 0.000 1.133 52 R HN 0.621 nan 8.270 nan 0.000 0.484 53 S N 1.570 117.285 115.700 0.024 0.000 2.508 53 S HA 0.301 4.778 4.470 0.012 0.000 0.284 53 S C 0.484 175.086 174.600 0.003 0.000 1.192 53 S CA -0.687 57.519 58.200 0.009 0.000 1.070 53 S CB 0.560 63.774 63.200 0.025 0.000 1.004 53 S HN 0.551 nan 8.310 nan 0.000 0.493 54 L N 3.662 124.882 121.223 -0.005 0.000 2.818 54 L HA 0.301 4.648 4.340 0.012 0.000 0.243 54 L C 0.166 177.170 176.870 0.222 0.000 1.185 54 L CA -0.359 54.496 54.840 0.026 0.000 0.988 54 L CB -0.266 41.745 42.059 -0.080 0.000 1.292 54 L HN 0.529 nan 8.230 nan 0.000 0.519 55 N N 1.235 120.021 118.700 0.144 0.000 2.444 55 N HA 0.501 5.249 4.740 0.012 0.000 0.255 55 N C 0.638 176.284 175.510 0.227 0.000 1.255 55 N CA 0.901 54.049 53.050 0.164 0.000 0.933 55 N CB 1.376 39.888 38.487 0.041 0.000 1.143 55 N HN 0.276 nan 8.380 nan 0.000 0.453 56 G N 0.091 109.046 108.800 0.257 0.000 2.291 56 G HA2 -0.078 3.889 3.960 0.012 0.000 0.249 56 G HA3 -0.078 3.889 3.960 0.012 0.000 0.249 56 G C -1.633 173.498 174.900 0.384 0.000 1.340 56 G CA -0.806 44.442 45.100 0.247 0.000 1.017 56 G HN 0.461 nan 8.290 nan 0.000 0.470 57 E N -0.003 120.381 120.200 0.307 0.000 2.290 57 E HA 0.419 4.776 4.350 0.012 0.000 0.277 57 E C -0.931 175.934 176.600 0.441 0.000 1.035 57 E CA 0.112 56.705 56.400 0.322 0.000 0.873 57 E CB 0.993 30.802 29.700 0.181 0.000 1.029 57 E HN 0.351 nan 8.360 nan 0.000 0.419 58 W N 1.475 122.868 121.300 0.154 0.000 2.894 58 W HA 0.373 5.040 4.660 0.012 0.000 0.345 58 W C 0.136 176.782 176.519 0.211 0.000 1.152 58 W CA -0.764 56.701 57.345 0.200 0.000 1.089 58 W CB 0.812 30.442 29.460 0.284 0.000 1.454 58 W HN 0.180 nan 8.180 nan 0.000 0.589 59 R N 1.613 122.394 120.500 0.468 0.000 2.407 59 R HA 0.570 4.917 4.340 0.012 0.000 0.303 59 R C -1.490 175.056 176.300 0.411 0.000 0.981 59 R CA -0.840 55.470 56.100 0.350 0.000 0.905 59 R CB 1.127 31.578 30.300 0.253 0.000 1.099 59 R HN 0.478 nan 8.270 nan 0.000 0.459 60 F N 0.644 120.629 119.950 0.059 0.000 2.581 60 F HA 0.627 5.161 4.527 0.012 0.000 0.311 60 F C -1.534 174.106 175.800 -0.267 0.000 1.113 60 F CA -0.617 57.280 58.000 -0.172 0.000 0.935 60 F CB 1.949 40.739 39.000 -0.350 0.000 1.232 60 F HN 0.609 nan 8.300 nan 0.000 0.445 61 A N 4.787 126.886 122.820 -1.201 0.000 2.393 61 A HA 0.573 4.900 4.320 0.012 0.000 0.306 61 A C -2.350 174.347 177.584 -1.478 0.000 1.050 61 A CA -0.535 50.857 52.037 -1.075 0.000 0.724 61 A CB 0.728 19.376 19.000 -0.587 0.000 1.248 61 A HN 0.962 nan 8.150 nan 0.000 0.424 62 W N 3.309 123.796 121.300 -1.354 0.000 2.433 62 W HA 0.726 5.393 4.660 0.012 0.000 0.315 62 W C -1.879 174.151 176.519 -0.815 0.000 1.087 62 W CA -0.348 56.377 57.345 -1.034 0.000 1.205 62 W CB 0.909 29.956 29.460 -0.687 0.000 1.288 62 W HN 0.496 nan 8.180 nan 0.000 0.504 63 F N 6.475 125.765 119.950 -1.100 0.000 2.593 63 F HA 0.426 4.960 4.527 0.012 0.000 0.320 63 F C -1.317 173.530 175.800 -1.587 0.000 1.060 63 F CA -2.464 54.975 58.000 -0.935 0.000 0.940 63 F CB 1.595 40.213 39.000 -0.636 0.000 1.268 63 F HN 0.193 nan 8.300 nan 0.000 0.475 64 P HA 0.157 nan 4.420 nan 0.000 0.231 64 P C -0.440 176.701 177.300 -0.265 0.000 1.168 64 P CA 0.794 63.550 63.100 -0.572 0.000 0.779 64 P CB 0.708 32.383 31.700 -0.041 0.000 0.844 65 A N -0.510 122.180 122.820 -0.216 0.000 2.608 65 A HA 0.522 4.849 4.320 0.012 0.000 0.292 65 A C -2.415 175.052 177.584 -0.196 0.000 1.066 65 A CA -1.012 50.952 52.037 -0.122 0.000 0.676 65 A CB 0.479 19.474 19.000 -0.009 0.000 1.277 65 A HN -0.297 nan 8.150 nan 0.000 0.413 66 P HA -0.105 nan 4.420 nan 0.000 0.220 66 P C 0.684 177.868 177.300 -0.193 0.000 1.148 66 P CA 1.424 64.370 63.100 -0.257 0.000 0.803 66 P CB 0.238 31.736 31.700 -0.337 0.000 0.782 67 E N -0.099 120.051 120.200 -0.084 0.000 2.409 67 E HA -0.022 4.335 4.350 0.012 0.000 0.198 67 E C 1.868 178.398 176.600 -0.117 0.000 1.024 67 E CA 0.957 57.322 56.400 -0.058 0.000 0.861 67 E CB -0.636 29.071 29.700 0.012 0.000 0.788 67 E HN 0.233 nan 8.360 nan 0.000 0.521 68 A N 0.261 122.976 122.820 -0.176 0.000 2.308 68 A HA 0.138 4.466 4.320 0.012 0.000 0.217 68 A C 0.575 177.890 177.584 -0.447 0.000 1.216 68 A CA -0.225 51.725 52.037 -0.144 0.000 0.864 68 A CB 0.402 19.431 19.000 0.049 0.000 0.902 68 A HN 0.027 nan 8.150 nan 0.000 0.499 69 V N 3.162 122.635 119.914 -0.735 0.000 2.508 69 V HA 0.223 4.350 4.120 0.012 0.000 0.281 69 V C -2.057 173.723 176.094 -0.523 0.000 1.041 69 V CA -1.328 60.281 62.300 -1.151 0.000 1.016 69 V CB 0.754 31.978 31.823 -0.998 0.000 0.984 69 V HN 0.360 nan 8.190 nan 0.000 0.478 70 P HA 0.188 nan 4.420 nan 0.000 0.284 70 P C 0.695 177.953 177.300 -0.069 0.000 1.253 70 P CA -0.458 62.565 63.100 -0.128 0.000 0.800 70 P CB 0.939 32.626 31.700 -0.022 0.000 0.961 71 E N 1.944 122.109 120.200 -0.060 0.000 2.209 71 E HA -0.200 4.157 4.350 0.012 0.000 0.196 71 E C 1.176 177.747 176.600 -0.047 0.000 0.993 71 E CA 1.881 58.243 56.400 -0.064 0.000 0.819 71 E CB -0.265 29.399 29.700 -0.060 0.000 0.745 71 E HN 0.440 nan 8.360 nan 0.000 0.477 72 S N 0.016 115.714 115.700 -0.003 0.000 2.442 72 S HA -0.183 4.294 4.470 0.012 0.000 0.236 72 S C 1.643 176.257 174.600 0.023 0.000 1.007 72 S CA 0.820 59.023 58.200 0.005 0.000 0.965 72 S CB -0.990 62.226 63.200 0.028 0.000 0.773 72 S HN 0.624 nan 8.310 nan 0.000 0.504 73 W N 2.376 123.587 121.300 -0.147 0.000 2.364 73 W HA 0.050 4.717 4.660 0.012 0.000 0.281 73 W C 1.591 177.998 176.519 -0.186 0.000 1.219 73 W CA 0.779 58.033 57.345 -0.151 0.000 1.220 73 W CB -0.369 28.979 29.460 -0.188 0.000 1.127 73 W HN 0.271 nan 8.180 nan 0.000 0.556 74 L N 0.106 121.075 121.223 -0.424 0.000 2.141 74 L HA -0.157 4.190 4.340 0.012 0.000 0.209 74 L C 2.200 178.833 176.870 -0.394 0.000 1.094 74 L CA 1.658 56.113 54.840 -0.642 0.000 0.763 74 L CB -0.626 41.079 42.059 -0.591 0.000 0.908 74 L HN 0.057 nan 8.230 nan 0.000 0.437 75 E N -1.347 118.711 120.200 -0.236 0.000 2.251 75 E HA 0.019 4.376 4.350 0.012 0.000 0.194 75 E C 0.511 177.039 176.600 -0.119 0.000 0.964 75 E CA 0.437 56.750 56.400 -0.144 0.000 0.868 75 E CB 0.707 30.359 29.700 -0.081 0.000 0.828 75 E HN 0.540 nan 8.360 nan 0.000 0.481 76 C N -0.336 118.903 119.300 -0.102 0.000 3.173 76 C HA 0.457 4.924 4.460 0.012 0.000 0.310 76 C C -0.613 174.381 174.990 0.006 0.000 1.306 76 C CA -1.404 57.582 59.018 -0.052 0.000 1.426 76 C CB 1.279 29.006 27.740 -0.023 0.000 1.800 76 C HN 0.118 nan 8.230 nan 0.000 0.470 77 D N 0.822 121.240 120.400 0.030 0.000 2.533 77 D HA 0.281 4.928 4.640 0.012 0.000 0.236 77 D C -0.215 176.159 176.300 0.124 0.000 1.137 77 D CA 0.472 54.531 54.000 0.099 0.000 0.867 77 D CB 0.458 41.302 40.800 0.073 0.000 1.170 77 D HN 0.585 nan 8.370 nan 0.000 0.474 78 L N 6.263 127.597 121.223 0.186 0.000 2.319 78 L HA 0.224 4.571 4.340 0.012 0.000 0.280 78 L C -1.194 175.722 176.870 0.077 0.000 1.099 78 L CA -1.522 53.398 54.840 0.133 0.000 0.828 78 L CB 1.133 43.272 42.059 0.133 0.000 1.150 78 L HN 0.510 nan 8.230 nan 0.000 0.442 79 P HA -0.261 nan 4.420 nan 0.000 0.217 79 P C 1.069 178.386 177.300 0.028 0.000 1.158 79 P CA 1.295 64.417 63.100 0.037 0.000 0.887 79 P CB 0.067 31.783 31.700 0.027 0.000 0.792 80 E N -0.023 120.184 120.200 0.012 0.000 2.482 80 E HA 0.043 4.400 4.350 0.012 0.000 0.196 80 E C 0.726 177.312 176.600 -0.024 0.000 1.047 80 E CA 0.216 56.608 56.400 -0.013 0.000 0.869 80 E CB -0.938 28.738 29.700 -0.040 0.000 0.836 80 E HN 0.109 nan 8.360 nan 0.000 0.520 81 A N 0.985 123.801 122.820 -0.007 0.000 2.327 81 A HA 0.254 4.581 4.320 0.012 0.000 0.255 81 A C -0.177 177.445 177.584 0.062 0.000 1.099 81 A CA -0.175 51.856 52.037 -0.010 0.000 0.801 81 A CB 0.282 19.303 19.000 0.034 0.000 1.062 81 A HN 0.108 nan 8.150 nan 0.000 0.496 82 D N -0.586 119.885 120.400 0.119 0.000 2.340 82 D HA 0.534 5.181 4.640 0.012 0.000 0.243 82 D C -0.665 175.749 176.300 0.191 0.000 0.988 82 D CA -0.011 54.089 54.000 0.167 0.000 0.959 82 D CB 1.353 42.306 40.800 0.254 0.000 1.226 82 D HN 0.371 nan 8.370 nan 0.000 0.509 83 T N 0.488 115.138 114.554 0.159 0.000 2.767 83 T HA 0.534 4.891 4.350 0.012 0.000 0.288 83 T C 0.085 174.884 174.700 0.165 0.000 0.963 83 T CA -0.541 61.662 62.100 0.172 0.000 1.019 83 T CB 0.704 69.648 68.868 0.127 0.000 0.923 83 T HN 0.265 nan 8.240 nan 0.000 0.468 84 V N 1.115 121.162 119.914 0.222 0.000 3.130 84 V HA 0.794 4.921 4.120 0.012 0.000 0.310 84 V C -0.333 175.898 176.094 0.229 0.000 1.158 84 V CA -1.069 61.331 62.300 0.166 0.000 1.029 84 V CB 1.647 33.584 31.823 0.190 0.000 1.057 84 V HN 0.513 nan 8.190 nan 0.000 0.436 85 V N 1.710 121.736 119.914 0.188 0.000 2.649 85 V HA 0.550 4.677 4.120 0.012 0.000 0.292 85 V C -0.041 176.130 176.094 0.128 0.000 1.055 85 V CA -0.050 62.351 62.300 0.169 0.000 1.023 85 V CB 1.461 33.355 31.823 0.118 0.000 0.992 85 V HN 0.752 nan 8.190 nan 0.000 0.480 86 V N 6.939 126.842 119.914 -0.018 0.000 2.656 86 V HA 0.453 4.580 4.120 0.012 0.000 0.307 86 V C -2.318 173.640 176.094 -0.226 0.000 1.051 86 V CA -1.755 60.373 62.300 -0.286 0.000 0.893 86 V CB 2.491 33.726 31.823 -0.979 0.000 0.999 86 V HN 0.755 nan 8.190 nan 0.000 0.426 87 P HA 0.365 nan 4.420 nan 0.000 0.272 87 P C -0.718 176.504 177.300 -0.130 0.000 1.223 87 P CA 0.049 63.017 63.100 -0.221 0.000 0.784 87 P CB 1.213 32.800 31.700 -0.189 0.000 0.923 88 S N 0.594 116.229 115.700 -0.108 0.000 2.595 88 S HA 0.419 4.896 4.470 0.012 0.000 0.270 88 S C -1.285 173.250 174.600 -0.109 0.000 1.145 88 S CA -1.025 57.099 58.200 -0.126 0.000 0.825 88 S CB 0.561 63.630 63.200 -0.218 0.000 1.107 88 S HN 0.354 nan 8.310 nan 0.000 0.461 89 N N 0.903 119.477 118.700 -0.210 0.000 2.408 89 N HA 0.453 5.200 4.740 0.012 0.000 0.280 89 N C 0.432 175.774 175.510 -0.280 0.000 1.002 89 N CA -0.820 52.086 53.050 -0.240 0.000 0.907 89 N CB 0.793 39.109 38.487 -0.286 0.000 1.161 89 N HN 0.861 nan 8.380 nan 0.000 0.488 90 W N 2.510 123.674 121.300 -0.226 0.000 2.465 90 W HA -0.040 4.627 4.660 0.012 0.000 0.268 90 W C 0.999 177.497 176.519 -0.034 0.000 1.242 90 W CA 0.717 57.934 57.345 -0.213 0.000 1.248 90 W CB -0.321 29.020 29.460 -0.198 0.000 1.118 90 W HN 0.506 nan 8.180 nan 0.000 0.587 91 Q N 0.584 120.350 119.800 -0.058 0.000 2.170 91 Q HA -0.136 4.211 4.340 0.012 0.000 0.203 91 Q C 2.167 178.122 176.000 -0.074 0.000 0.976 91 Q CA 1.990 57.771 55.803 -0.036 0.000 0.858 91 Q CB -0.586 28.003 28.738 -0.250 0.000 0.907 91 Q HN 0.279 nan 8.270 nan 0.000 0.433 92 M N -0.941 118.575 119.600 -0.140 0.000 2.476 92 M HA -0.070 4.417 4.480 0.012 0.000 0.262 92 M C 0.798 177.165 176.300 0.112 0.000 1.079 92 M CA 1.422 56.666 55.300 -0.093 0.000 1.104 92 M CB -0.603 31.919 32.600 -0.129 0.000 1.409 92 M HN 0.379 nan 8.290 nan 0.000 0.467 93 H N -0.797 118.282 119.070 0.015 0.000 2.551 93 H HA 0.266 4.829 4.556 0.012 0.000 0.271 93 H C 1.198 176.395 175.328 -0.219 0.000 0.984 93 H CA 0.134 56.160 56.048 -0.037 0.000 1.164 93 H CB 0.459 30.290 29.762 0.115 0.000 1.437 93 H HN 0.567 nan 8.280 nan 0.000 0.550 94 G N 0.519 109.310 108.800 -0.014 0.000 2.157 94 G HA2 -0.344 3.623 3.960 0.012 0.000 0.239 94 G HA3 -0.344 3.623 3.960 0.012 0.000 0.239 94 G C 0.385 175.159 174.900 -0.209 0.000 0.982 94 G CA 0.192 45.212 45.100 -0.132 0.000 0.650 94 G HN 0.476 nan 8.290 nan 0.000 0.527 95 Y N 1.647 121.983 120.300 0.060 0.000 2.352 95 Y HA 0.244 4.801 4.550 0.012 0.000 0.292 95 Y C 1.640 177.319 175.900 -0.369 0.000 1.136 95 Y CA 1.562 59.587 58.100 -0.126 0.000 1.227 95 Y CB 0.200 38.648 38.460 -0.019 0.000 0.991 95 Y HN 0.655 nan 8.280 nan 0.000 0.545 96 D N -2.125 118.333 120.400 0.097 0.000 2.692 96 D HA 0.453 5.100 4.640 0.012 0.000 0.290 96 D C -1.233 175.141 176.300 0.123 0.000 1.281 96 D CA -0.807 53.245 54.000 0.087 0.000 0.804 96 D CB 0.645 41.599 40.800 0.258 0.000 1.331 96 D HN -0.062 nan 8.370 nan 0.000 0.432 97 A N 0.059 122.960 122.820 0.134 0.000 2.354 97 A HA 0.678 5.005 4.320 0.012 0.000 0.269 97 A C -2.305 175.296 177.584 0.029 0.000 1.109 97 A CA -1.042 51.054 52.037 0.099 0.000 0.800 97 A CB -0.070 19.052 19.000 0.204 0.000 1.045 97 A HN 0.518 nan 8.150 nan 0.000 0.489 98 P HA 0.460 nan 4.420 nan 0.000 0.277 98 P C -0.833 176.623 177.300 0.260 0.000 1.240 98 P CA -0.006 63.034 63.100 -0.100 0.000 0.798 98 P CB 0.778 32.165 31.700 -0.522 0.000 0.979 99 I N 1.883 122.703 120.570 0.416 0.000 2.474 99 I HA 0.255 4.432 4.170 0.012 0.000 0.294 99 I C -0.543 175.773 176.117 0.331 0.000 1.005 99 I CA -0.952 60.592 61.300 0.406 0.000 1.113 99 I CB 1.631 39.807 38.000 0.293 0.000 1.289 99 I HN 0.288 nan 8.210 nan 0.000 0.436 100 Y N 6.036 126.291 120.300 -0.075 0.000 2.593 100 Y HA 0.473 5.030 4.550 0.011 0.000 0.331 100 Y C -0.291 175.447 175.900 -0.269 0.000 0.986 100 Y CA -0.499 57.249 58.100 -0.586 0.000 1.262 100 Y CB 0.957 38.619 38.460 -1.330 0.000 1.098 100 Y HN 0.519 nan 8.280 nan 0.000 0.506 101 T N 4.659 118.653 114.554 -0.933 0.000 2.863 101 T HA 0.276 4.633 4.350 0.012 0.000 0.285 101 T C 0.226 174.403 174.700 -0.871 0.000 1.009 101 T CA -0.544 61.060 62.100 -0.826 0.000 0.989 101 T CB 1.171 69.808 68.868 -0.385 0.000 1.004 101 T HN 0.746 nan 8.240 nan 0.000 0.455 102 N N 2.650 120.915 118.700 -0.724 0.000 2.349 102 N HA 0.075 4.822 4.740 0.012 0.000 0.202 102 N C 1.520 176.764 175.510 -0.444 0.000 1.041 102 N CA 1.503 54.280 53.050 -0.454 0.000 0.970 102 N CB -0.620 37.621 38.487 -0.410 0.000 1.173 102 N HN 0.380 nan 8.380 nan 0.000 0.493 103 V N 0.216 119.798 119.914 -0.554 0.000 2.436 103 V HA 0.137 4.264 4.120 0.012 0.000 0.240 103 V C 0.420 176.197 176.094 -0.529 0.000 1.040 103 V CA 0.905 62.796 62.300 -0.683 0.000 1.052 103 V CB -0.761 30.562 31.823 -0.834 0.000 0.707 103 V HN 0.329 nan 8.190 nan 0.000 0.469 104 T N 1.061 115.374 114.554 -0.401 0.000 2.902 104 T HA 0.157 4.514 4.350 0.012 0.000 0.301 104 T C -0.308 174.258 174.700 -0.223 0.000 1.012 104 T CA 0.233 62.174 62.100 -0.264 0.000 1.151 104 T CB -0.203 68.546 68.868 -0.199 0.000 0.946 104 T HN 0.178 nan 8.240 nan 0.000 0.542 105 Y N 4.513 124.715 120.300 -0.164 0.000 2.652 105 Y HA 0.089 4.646 4.550 0.011 0.000 0.344 105 Y C -0.791 174.982 175.900 -0.211 0.000 1.254 105 Y CA -1.542 56.452 58.100 -0.177 0.000 1.480 105 Y CB 0.377 38.728 38.460 -0.181 0.000 1.345 105 Y HN 0.517 nan 8.280 nan 0.000 0.617 106 P HA 0.006 nan 4.420 nan 0.000 0.241 106 P C -0.331 176.745 177.300 -0.374 0.000 1.191 106 P CA 1.075 64.068 63.100 -0.179 0.000 0.771 106 P CB 0.056 31.690 31.700 -0.110 0.000 0.929 107 I N -5.071 115.242 120.570 -0.429 0.000 2.892 107 I HA 0.495 4.672 4.170 0.012 0.000 0.306 107 I C -0.570 175.407 176.117 -0.234 0.000 1.078 107 I CA -1.203 59.819 61.300 -0.463 0.000 1.032 107 I CB 1.756 39.326 38.000 -0.717 0.000 1.229 107 I HN -0.460 nan 8.210 nan 0.000 0.435 108 T N 2.963 117.424 114.554 -0.155 0.000 2.934 108 T HA 0.114 4.471 4.350 0.012 0.000 0.306 108 T C 0.253 174.935 174.700 -0.030 0.000 1.042 108 T CA -0.184 61.879 62.100 -0.062 0.000 1.145 108 T CB 0.558 69.412 68.868 -0.023 0.000 0.982 108 T HN 0.383 nan 8.240 nan 0.000 0.544 109 V N 5.029 124.944 119.914 0.002 0.000 2.364 109 V HA 0.198 4.325 4.120 0.012 0.000 0.252 109 V C 0.719 176.865 176.094 0.086 0.000 1.075 109 V CA -0.103 62.222 62.300 0.042 0.000 1.033 109 V CB -0.420 31.421 31.823 0.030 0.000 1.116 109 V HN 0.854 nan 8.190 nan 0.000 0.488 110 N N 5.882 124.693 118.700 0.185 0.000 2.666 110 N HA 0.257 5.004 4.740 0.012 0.000 0.253 110 N C -2.957 172.655 175.510 0.170 0.000 1.621 110 N CA -1.276 51.878 53.050 0.172 0.000 0.785 110 N CB 1.444 40.065 38.487 0.223 0.000 1.332 110 N HN 0.249 nan 8.380 nan 0.000 0.514 111 P HA 0.177 nan 4.420 nan 0.000 0.265 111 P C -2.204 174.885 177.300 -0.352 0.000 1.193 111 P CA -0.702 61.994 63.100 -0.673 0.000 0.765 111 P CB 0.611 31.791 31.700 -0.867 0.000 0.823 112 P HA 0.201 nan 4.420 nan 0.000 0.266 112 P C -0.323 176.818 177.300 -0.264 0.000 1.381 112 P CA -0.218 62.610 63.100 -0.453 0.000 0.940 112 P CB 0.109 31.478 31.700 -0.551 0.000 1.435 113 F N 1.087 121.141 119.950 0.173 0.000 2.410 113 F HA 0.280 4.814 4.527 0.012 0.000 0.334 113 F C 1.414 177.374 175.800 0.267 0.000 1.134 113 F CA -0.753 57.360 58.000 0.190 0.000 1.227 113 F CB 0.597 39.658 39.000 0.102 0.000 1.194 113 F HN -0.226 nan 8.300 nan 0.000 0.571 114 V N -0.928 119.248 119.914 0.438 0.000 3.113 114 V HA 0.693 4.820 4.120 0.012 0.000 0.316 114 V C -2.722 173.517 176.094 0.241 0.000 1.125 114 V CA -2.919 59.557 62.300 0.292 0.000 1.026 114 V CB 1.256 33.310 31.823 0.386 0.000 1.080 114 V HN 0.475 nan 8.190 nan 0.000 0.444 115 P HA 0.203 nan 4.420 nan 0.000 0.268 115 P C 0.974 178.403 177.300 0.216 0.000 1.205 115 P CA 0.391 63.572 63.100 0.134 0.000 0.771 115 P CB 0.547 32.294 31.700 0.078 0.000 0.858 116 T N -1.542 113.114 114.554 0.169 0.000 2.995 116 T HA -0.067 4.290 4.350 0.012 0.000 0.269 116 T C 0.544 175.352 174.700 0.179 0.000 1.091 116 T CA 0.709 62.919 62.100 0.183 0.000 1.128 116 T CB -0.411 68.534 68.868 0.129 0.000 0.891 116 T HN 0.371 nan 8.240 nan 0.000 0.492 117 E N 2.327 122.633 120.200 0.176 0.000 2.052 117 E HA 0.316 4.673 4.350 0.012 0.000 0.283 117 E C -0.787 175.974 176.600 0.269 0.000 1.071 117 E CA -0.416 56.095 56.400 0.185 0.000 0.851 117 E CB 0.273 30.084 29.700 0.185 0.000 1.066 117 E HN 0.189 nan 8.360 nan 0.000 0.396 118 N N 5.009 123.842 118.700 0.222 0.000 2.577 118 N HA 0.269 5.016 4.740 0.012 0.000 0.275 118 N C -2.914 172.633 175.510 0.062 0.000 1.091 118 N CA -2.387 50.830 53.050 0.279 0.000 0.843 118 N CB 1.316 39.969 38.487 0.277 0.000 1.295 118 N HN 0.088 nan 8.380 nan 0.000 0.530 119 P HA 0.013 nan 4.420 nan 0.000 0.260 119 P C -0.808 176.420 177.300 -0.121 0.000 1.172 119 P CA 0.547 63.606 63.100 -0.068 0.000 0.760 119 P CB 0.428 32.414 31.700 0.477 0.000 0.773 120 T N 2.908 117.138 114.554 -0.540 0.000 2.812 120 T HA 0.563 4.920 4.350 0.012 0.000 0.282 120 T C 0.199 174.446 174.700 -0.755 0.000 0.990 120 T CA -0.535 61.299 62.100 -0.444 0.000 0.960 120 T CB 1.451 70.060 68.868 -0.432 0.000 0.948 120 T HN 0.338 nan 8.240 nan 0.000 0.438 121 G N 1.232 109.652 108.800 -0.635 0.000 2.384 121 G HA2 0.468 4.435 3.960 0.012 0.000 0.316 121 G HA3 0.468 4.435 3.960 0.012 0.000 0.316 121 G C -0.185 174.515 174.900 -0.333 0.000 1.160 121 G CA -0.352 44.266 45.100 -0.804 0.000 0.936 121 G HN 0.870 nan 8.290 nan 0.000 0.455 122 C N 3.283 122.158 119.300 -0.709 0.000 2.256 122 C HA 0.448 4.915 4.460 0.012 0.000 0.333 122 C C -0.394 174.583 174.990 -0.021 0.000 1.183 122 C CA -0.819 57.876 59.018 -0.539 0.000 1.692 122 C CB -1.826 25.061 27.740 -1.421 0.000 2.274 122 C HN 0.617 nan 8.230 nan 0.000 0.509 123 Y N 1.915 122.499 120.300 0.474 0.000 2.457 123 Y HA 0.644 5.201 4.550 0.012 0.000 0.333 123 Y C 0.806 177.154 175.900 0.747 0.000 1.119 123 Y CA -0.160 58.325 58.100 0.641 0.000 1.143 123 Y CB 1.543 40.386 38.460 0.639 0.000 1.230 123 Y HN 0.687 nan 8.280 nan 0.000 0.469 124 S N 1.868 118.046 115.700 0.796 0.000 2.607 124 S HA 0.837 5.314 4.470 0.012 0.000 0.273 124 S C -1.901 172.766 174.600 0.111 0.000 1.148 124 S CA -0.828 57.628 58.200 0.426 0.000 0.833 124 S CB 2.253 65.618 63.200 0.275 0.000 1.130 124 S HN 0.632 nan 8.310 nan 0.000 0.470 125 L N 0.575 121.711 121.223 -0.146 0.000 2.549 125 L HA 0.702 5.049 4.340 0.012 0.000 0.259 125 L C -1.317 175.524 176.870 -0.048 0.000 0.934 125 L CA 0.106 54.724 54.840 -0.369 0.000 0.865 125 L CB 2.279 43.581 42.059 -1.262 0.000 1.352 125 L HN 0.920 nan 8.230 nan 0.000 0.410 126 T N 5.297 119.844 114.554 -0.011 0.000 2.771 126 T HA 0.755 5.112 4.350 0.012 0.000 0.281 126 T C -0.752 174.004 174.700 0.093 0.000 0.982 126 T CA -0.058 62.063 62.100 0.034 0.000 0.978 126 T CB 0.412 69.258 68.868 -0.037 0.000 0.930 126 T HN 0.469 nan 8.240 nan 0.000 0.447 127 F N 0.701 120.560 119.950 -0.153 0.000 2.664 127 F HA 0.758 5.292 4.527 0.012 0.000 0.317 127 F C -0.728 174.998 175.800 -0.124 0.000 1.108 127 F CA -1.584 56.326 58.000 -0.150 0.000 0.957 127 F CB 1.388 40.278 39.000 -0.184 0.000 1.365 127 F HN 0.369 nan 8.300 nan 0.000 0.475 128 N N 0.233 118.831 118.700 -0.170 0.000 2.456 128 N HA 0.605 5.352 4.740 0.012 0.000 0.288 128 N C -1.884 173.482 175.510 -0.239 0.000 1.059 128 N CA -0.455 52.448 53.050 -0.245 0.000 0.946 128 N CB 1.882 40.286 38.487 -0.138 0.000 1.150 128 N HN 0.640 nan 8.380 nan 0.000 0.479 129 V N 2.271 122.015 119.914 -0.284 0.000 2.444 129 V HA 0.282 4.409 4.120 0.012 0.000 0.294 129 V C -0.448 175.519 176.094 -0.212 0.000 1.022 129 V CA -0.892 61.253 62.300 -0.258 0.000 0.850 129 V CB 1.320 33.056 31.823 -0.145 0.000 0.992 129 V HN 0.727 nan 8.190 nan 0.000 0.426 130 D N 2.362 122.586 120.400 -0.294 0.000 2.382 130 D HA 0.117 4.764 4.640 0.012 0.000 0.245 130 D C 1.220 177.513 176.300 -0.011 0.000 1.120 130 D CA 0.080 53.993 54.000 -0.144 0.000 0.890 130 D CB 1.144 41.864 40.800 -0.133 0.000 1.201 130 D HN 0.722 nan 8.370 nan 0.000 0.433 131 E N 1.212 121.418 120.200 0.011 0.000 2.130 131 E HA -0.266 4.091 4.350 0.012 0.000 0.196 131 E C 1.575 178.237 176.600 0.104 0.000 0.998 131 E CA 1.397 57.826 56.400 0.049 0.000 0.806 131 E CB 0.113 29.829 29.700 0.026 0.000 0.738 131 E HN 0.549 nan 8.360 nan 0.000 0.459 132 S N -0.449 115.326 115.700 0.124 0.000 2.400 132 S HA -0.173 4.304 4.470 0.012 0.000 0.232 132 S C 1.540 176.230 174.600 0.149 0.000 1.025 132 S CA 0.978 59.254 58.200 0.127 0.000 0.993 132 S CB -0.754 62.518 63.200 0.120 0.000 0.808 132 S HN 0.399 nan 8.310 nan 0.000 0.478 133 W N 1.559 122.800 121.300 -0.099 0.000 2.465 133 W HA 0.349 5.016 4.660 0.012 0.000 0.268 133 W C 1.759 178.348 176.519 0.118 0.000 1.242 133 W CA -0.032 57.249 57.345 -0.106 0.000 1.248 133 W CB -0.441 29.029 29.460 0.017 0.000 1.118 133 W HN 0.316 nan 8.180 nan 0.000 0.587 134 L N -0.328 121.067 121.223 0.287 0.000 2.616 134 L HA 0.064 4.411 4.340 0.012 0.000 0.229 134 L C 2.248 179.203 176.870 0.143 0.000 1.110 134 L CA 0.218 55.184 54.840 0.211 0.000 0.884 134 L CB -0.354 41.798 42.059 0.155 0.000 1.115 134 L HN -0.128 nan 8.230 nan 0.000 0.481 135 Q N 1.019 120.892 119.800 0.121 0.000 2.245 135 Q HA -0.005 4.342 4.340 0.012 0.000 0.201 135 Q C 0.314 176.363 176.000 0.082 0.000 0.955 135 Q CA 0.794 56.645 55.803 0.081 0.000 0.870 135 Q CB 0.515 29.289 28.738 0.060 0.000 0.945 135 Q HN 0.654 nan 8.270 nan 0.000 0.461 136 E N -2.118 118.154 120.200 0.120 0.000 2.445 136 E HA 0.513 4.870 4.350 0.012 0.000 0.279 136 E C -0.049 176.663 176.600 0.186 0.000 1.018 136 E CA -0.434 56.035 56.400 0.115 0.000 0.816 136 E CB 1.371 31.122 29.700 0.085 0.000 1.356 136 E HN 0.053 nan 8.360 nan 0.000 0.462 137 G N 0.673 109.516 108.800 0.071 0.000 2.645 137 G HA2 -0.302 3.665 3.960 0.012 0.000 0.246 137 G HA3 -0.302 3.665 3.960 0.012 0.000 0.246 137 G C -0.672 174.140 174.900 -0.146 0.000 1.322 137 G CA 0.297 45.351 45.100 -0.077 0.000 0.898 137 G HN 0.755 nan 8.290 nan 0.000 0.573 138 Q N -0.623 118.935 119.800 -0.404 0.000 2.340 138 Q HA 0.631 4.978 4.340 0.012 0.000 0.268 138 Q C -1.057 174.771 176.000 -0.287 0.000 1.031 138 Q CA -0.470 55.194 55.803 -0.232 0.000 0.804 138 Q CB 1.577 30.213 28.738 -0.170 0.000 1.286 138 Q HN 0.605 nan 8.270 nan 0.000 0.448 139 T N 4.849 119.408 114.554 0.008 0.000 2.791 139 T HA 0.471 4.828 4.350 0.012 0.000 0.288 139 T C -0.712 174.095 174.700 0.177 0.000 0.999 139 T CA -0.639 61.565 62.100 0.174 0.000 0.952 139 T CB 0.552 69.674 68.868 0.422 0.000 0.938 139 T HN 0.642 nan 8.240 nan 0.000 0.444 140 R N 2.930 123.523 120.500 0.155 0.000 2.854 140 R HA 0.791 5.138 4.340 0.012 0.000 0.271 140 R C -1.135 175.261 176.300 0.159 0.000 0.996 140 R CA -0.981 55.211 56.100 0.152 0.000 0.961 140 R CB 1.528 31.891 30.300 0.106 0.000 1.182 140 R HN 0.555 nan 8.270 nan 0.000 0.479 141 I N 2.494 123.162 120.570 0.162 0.000 2.460 141 I HA 0.448 4.625 4.170 0.012 0.000 0.298 141 I C -1.083 175.089 176.117 0.092 0.000 0.989 141 I CA -1.263 60.089 61.300 0.088 0.000 1.173 141 I CB 1.369 39.420 38.000 0.085 0.000 1.338 141 I HN 0.618 nan 8.210 nan 0.000 0.456 142 I N 7.271 127.794 120.570 -0.079 0.000 2.447 142 I HA 0.294 4.471 4.170 0.012 0.000 0.287 142 I C -1.319 174.652 176.117 -0.243 0.000 1.023 142 I CA -0.402 60.866 61.300 -0.053 0.000 1.083 142 I CB 1.536 39.511 38.000 -0.042 0.000 1.245 142 I HN 0.392 nan 8.210 nan 0.000 0.434 143 F N 4.493 124.436 119.950 -0.011 0.000 2.332 143 F HA 0.274 4.808 4.527 0.011 0.000 0.368 143 F C 1.304 176.999 175.800 -0.175 0.000 1.110 143 F CA -0.457 57.466 58.000 -0.128 0.000 1.087 143 F CB 0.833 39.719 39.000 -0.190 0.000 1.235 143 F HN 0.449 nan 8.300 nan 0.000 0.470 144 D N 2.326 122.644 120.400 -0.137 0.000 2.264 144 D HA 0.038 4.685 4.640 0.012 0.000 0.208 144 D C 0.983 177.122 176.300 -0.267 0.000 0.966 144 D CA 0.957 54.833 54.000 -0.206 0.000 0.864 144 D CB 0.363 40.986 40.800 -0.295 0.000 0.933 144 D HN 0.625 nan 8.370 nan 0.000 0.499 145 G N -0.591 107.991 108.800 -0.362 0.000 2.635 145 G HA2 0.435 4.402 3.960 0.012 0.000 0.295 145 G HA3 0.435 4.402 3.960 0.012 0.000 0.295 145 G C -1.514 173.150 174.900 -0.393 0.000 1.359 145 G CA -0.442 44.348 45.100 -0.516 0.000 1.232 145 G HN -0.061 nan 8.290 nan 0.000 0.597 146 V N 2.542 122.432 119.914 -0.040 0.000 2.524 146 V HA 0.512 4.640 4.120 0.012 0.000 0.297 146 V C -0.808 175.368 176.094 0.136 0.000 1.035 146 V CA -1.162 61.109 62.300 -0.048 0.000 0.867 146 V CB 1.826 33.351 31.823 -0.497 0.000 1.004 146 V HN 0.708 nan 8.190 nan 0.000 0.426 147 N N 2.587 121.358 118.700 0.118 0.000 2.446 147 N HA 0.343 5.090 4.740 0.012 0.000 0.265 147 N C 0.638 176.088 175.510 -0.100 0.000 0.975 147 N CA 0.120 53.149 53.050 -0.035 0.000 0.928 147 N CB 2.236 40.547 38.487 -0.292 0.000 1.160 147 N HN 0.655 nan 8.380 nan 0.000 0.495 148 S N 1.874 117.552 115.700 -0.036 0.000 2.526 148 S HA 0.574 5.051 4.470 0.012 0.000 0.220 148 S C 0.310 174.971 174.600 0.102 0.000 1.017 148 S CA 0.033 58.258 58.200 0.042 0.000 0.930 148 S CB 0.331 63.575 63.200 0.073 0.000 0.856 148 S HN 0.674 nan 8.310 nan 0.000 0.497 149 A N 0.907 123.800 122.820 0.121 0.000 2.604 149 A HA 0.751 5.078 4.320 0.012 0.000 0.295 149 A C -1.244 176.428 177.584 0.147 0.000 1.067 149 A CA -1.008 51.065 52.037 0.059 0.000 0.683 149 A CB 0.842 19.919 19.000 0.128 0.000 1.281 149 A HN 1.032 nan 8.150 nan 0.000 0.407 150 F N -0.265 119.474 119.950 -0.352 0.000 2.693 150 F HA 0.768 5.302 4.527 0.012 0.000 0.309 150 F C -1.112 174.567 175.800 -0.202 0.000 1.129 150 F CA -0.822 57.074 58.000 -0.173 0.000 0.948 150 F CB 1.266 40.160 39.000 -0.177 0.000 1.315 150 F HN 0.608 nan 8.300 nan 0.000 0.447 151 H N 2.097 121.315 119.070 0.246 0.000 2.492 151 H HA 0.694 5.257 4.556 0.012 0.000 0.345 151 H C -1.457 173.837 175.328 -0.058 0.000 1.136 151 H CA -0.729 55.339 56.048 0.034 0.000 1.202 151 H CB 2.484 32.277 29.762 0.053 0.000 1.524 151 H HN 0.789 nan 8.280 nan 0.000 0.506 152 L N 3.126 124.118 121.223 -0.384 0.000 2.385 152 L HA 0.421 4.768 4.340 0.012 0.000 0.273 152 L C -1.638 174.899 176.870 -0.555 0.000 0.990 152 L CA -0.491 54.171 54.840 -0.296 0.000 0.821 152 L CB 1.532 43.298 42.059 -0.489 0.000 1.279 152 L HN 0.512 nan 8.230 nan 0.000 0.412 153 W N 4.371 125.612 121.300 -0.098 0.000 2.844 153 W HA 0.571 5.238 4.660 0.012 0.000 0.340 153 W C -1.141 175.304 176.519 -0.124 0.000 1.093 153 W CA -0.820 56.463 57.345 -0.103 0.000 1.212 153 W CB 2.084 31.517 29.460 -0.045 0.000 1.422 153 W HN 0.580 nan 8.180 nan 0.000 0.515 154 C N 4.955 124.310 119.300 0.091 0.000 2.364 154 C HA 0.291 4.758 4.460 0.012 0.000 0.324 154 C C 0.286 175.400 174.990 0.206 0.000 1.234 154 C CA -0.330 58.747 59.018 0.098 0.000 1.417 154 C CB -0.753 26.959 27.740 -0.047 0.000 2.101 154 C HN 0.794 nan 8.230 nan 0.000 0.466 155 N N 3.623 122.404 118.700 0.136 0.000 2.727 155 N HA -0.186 4.561 4.740 0.012 0.000 0.249 155 N C 0.961 176.541 175.510 0.116 0.000 1.048 155 N CA 2.020 55.129 53.050 0.098 0.000 0.714 155 N CB -1.301 37.252 38.487 0.111 0.000 0.959 155 N HN 1.772 nan 8.380 nan 0.000 0.544 156 G N -1.247 107.615 108.800 0.103 0.000 2.179 156 G HA2 -0.379 3.588 3.960 0.012 0.000 0.260 156 G HA3 -0.379 3.588 3.960 0.012 0.000 0.260 156 G C 0.207 175.279 174.900 0.288 0.000 0.977 156 G CA 0.697 45.853 45.100 0.093 0.000 0.641 156 G HN 0.600 nan 8.290 nan 0.000 0.533 157 R N -0.991 119.745 120.500 0.393 0.000 2.474 157 R HA 0.474 4.821 4.340 0.012 0.000 0.295 157 R C -0.294 176.346 176.300 0.566 0.000 0.980 157 R CA -0.975 55.427 56.100 0.504 0.000 0.934 157 R CB 0.725 31.320 30.300 0.493 0.000 1.101 157 R HN 0.229 nan 8.270 nan 0.000 0.469 158 W N 4.184 125.647 121.300 0.272 0.000 2.253 158 W HA 0.149 4.816 4.660 0.012 0.000 0.322 158 W C -0.175 176.271 176.519 -0.123 0.000 1.342 158 W CA -0.109 57.074 57.345 -0.269 0.000 1.218 158 W CB 0.750 30.037 29.460 -0.289 0.000 1.205 158 W HN 0.334 nan 8.180 nan 0.000 0.551 159 V N 5.319 124.505 119.914 -1.214 0.000 2.599 159 V HA 0.550 4.677 4.120 0.012 0.000 0.237 159 V C 1.043 176.113 176.094 -1.707 0.000 1.081 159 V CA 1.034 62.592 62.300 -1.236 0.000 1.107 159 V CB -0.448 30.662 31.823 -1.187 0.000 0.808 159 V HN 0.810 nan 8.190 nan 0.000 0.486 160 G N -1.859 105.752 108.800 -1.982 0.000 2.427 160 G HA2 0.483 4.450 3.960 0.012 0.000 0.306 160 G HA3 0.483 4.450 3.960 0.012 0.000 0.306 160 G C -2.431 172.028 174.900 -0.735 0.000 1.280 160 G CA -0.264 44.005 45.100 -1.384 0.000 0.837 160 G HN 0.021 nan 8.290 nan 0.000 0.482 161 Y N -0.562 119.461 120.300 -0.463 0.000 2.544 161 Y HA 0.684 5.241 4.550 0.012 0.000 0.342 161 Y C -0.101 175.551 175.900 -0.413 0.000 1.062 161 Y CA -0.062 57.710 58.100 -0.548 0.000 1.023 161 Y CB 2.243 40.524 38.460 -0.298 0.000 1.308 161 Y HN 1.169 nan 8.280 nan 0.000 0.457 162 G N 3.730 111.735 108.800 -1.325 0.000 2.696 162 G HA2 0.594 4.561 3.960 0.012 0.000 0.295 162 G HA3 0.594 4.561 3.960 0.012 0.000 0.295 162 G C -2.077 172.389 174.900 -0.723 0.000 1.398 162 G CA -0.821 43.811 45.100 -0.779 0.000 0.920 162 G HN 0.611 nan 8.290 nan 0.000 0.492 163 Q N -0.289 119.328 119.800 -0.305 0.000 2.587 163 Q HA 0.566 4.913 4.340 0.012 0.000 0.293 163 Q C -1.396 174.608 176.000 0.006 0.000 1.083 163 Q CA -0.814 54.924 55.803 -0.108 0.000 0.792 163 Q CB 2.663 31.386 28.738 -0.025 0.000 1.484 163 Q HN 0.653 nan 8.270 nan 0.000 0.446 164 D N -0.175 120.264 120.400 0.065 0.000 4.535 164 D HA -0.096 4.551 4.640 0.012 0.000 0.236 164 D C -0.464 175.898 176.300 0.104 0.000 1.142 164 D CA 0.514 54.566 54.000 0.086 0.000 1.102 164 D CB -0.607 40.228 40.800 0.059 0.000 0.703 164 D HN 0.538 nan 8.370 nan 0.000 0.331 165 S N 3.188 118.961 115.700 0.121 0.000 2.507 165 S HA -0.081 4.396 4.470 0.012 0.000 0.235 165 S C 1.533 176.262 174.600 0.216 0.000 0.988 165 S CA 0.602 58.900 58.200 0.163 0.000 0.944 165 S CB 0.248 63.502 63.200 0.090 0.000 0.762 165 S HN 0.464 nan 8.310 nan 0.000 0.526 166 R N 0.158 120.746 120.500 0.146 0.000 2.543 166 R HA 0.444 4.791 4.340 0.012 0.000 0.323 166 R C -0.442 175.916 176.300 0.097 0.000 1.002 166 R CA 0.052 56.238 56.100 0.143 0.000 1.106 166 R CB 0.116 30.509 30.300 0.155 0.000 1.280 166 R HN 0.326 nan 8.270 nan 0.000 0.549 167 L N 1.403 122.657 121.223 0.051 0.000 2.350 167 L HA 0.526 4.873 4.340 0.012 0.000 0.260 167 L C -2.363 174.488 176.870 -0.032 0.000 1.015 167 L CA -2.309 52.531 54.840 0.000 0.000 0.821 167 L CB 2.934 44.985 42.059 -0.013 0.000 1.370 167 L HN -0.194 nan 8.230 nan 0.000 0.416 168 P HA 0.100 nan 4.420 nan 0.000 0.271 168 P C -0.972 176.292 177.300 -0.061 0.000 1.216 168 P CA -0.186 62.868 63.100 -0.077 0.000 0.776 168 P CB 1.193 32.809 31.700 -0.139 0.000 0.881 169 S N 1.960 117.679 115.700 0.032 0.000 2.498 169 S HA 0.310 4.787 4.470 0.012 0.000 0.317 169 S C -0.449 174.105 174.600 -0.078 0.000 1.090 169 S CA -0.594 57.585 58.200 -0.034 0.000 1.089 169 S CB 0.847 64.203 63.200 0.261 0.000 0.997 169 S HN 0.376 nan 8.310 nan 0.000 0.470 170 E N 2.211 122.161 120.200 -0.417 0.000 2.222 170 E HA 0.564 4.921 4.350 0.012 0.000 0.267 170 E C -1.428 174.761 176.600 -0.685 0.000 0.884 170 E CA -0.566 55.657 56.400 -0.295 0.000 0.764 170 E CB 1.757 31.399 29.700 -0.097 0.000 1.169 170 E HN 0.412 nan 8.360 nan 0.000 0.413 171 F N 0.667 120.667 119.950 0.084 0.000 2.578 171 F HA 0.197 4.731 4.527 0.012 0.000 0.311 171 F C -0.022 175.796 175.800 0.030 0.000 1.094 171 F CA -1.127 56.883 58.000 0.017 0.000 0.923 171 F CB 1.689 40.665 39.000 -0.040 0.000 1.230 171 F HN 0.298 nan 8.300 nan 0.000 0.450 172 D N 2.982 123.509 120.400 0.212 0.000 2.325 172 D HA 0.237 4.884 4.640 0.012 0.000 0.251 172 D C 0.182 176.610 176.300 0.213 0.000 1.196 172 D CA 0.223 54.327 54.000 0.174 0.000 0.866 172 D CB 1.035 41.922 40.800 0.146 0.000 1.101 172 D HN 0.577 nan 8.370 nan 0.000 0.476 173 L N 2.903 124.256 121.223 0.216 0.000 2.700 173 L HA 0.065 4.412 4.340 0.012 0.000 0.234 173 L C 2.070 179.162 176.870 0.370 0.000 1.156 173 L CA -0.221 54.777 54.840 0.264 0.000 0.946 173 L CB 0.075 42.253 42.059 0.199 0.000 1.216 173 L HN 0.272 nan 8.230 nan 0.000 0.493 174 S N 1.404 117.273 115.700 0.283 0.000 2.372 174 S HA -0.271 4.206 4.470 0.012 0.000 0.227 174 S C 2.025 176.744 174.600 0.198 0.000 1.044 174 S CA 1.897 60.227 58.200 0.216 0.000 1.050 174 S CB -0.124 63.159 63.200 0.138 0.000 0.901 174 S HN 0.574 nan 8.310 nan 0.000 0.447 175 A N -0.689 122.244 122.820 0.188 0.000 2.238 175 A HA 0.339 4.666 4.320 0.012 0.000 0.208 175 A C 1.225 178.759 177.584 -0.084 0.000 1.177 175 A CA 0.285 52.321 52.037 -0.002 0.000 0.804 175 A CB -0.392 18.517 19.000 -0.152 0.000 0.823 175 A HN 0.479 nan 8.150 nan 0.000 0.482 176 F N -0.763 119.229 119.950 0.069 0.000 2.720 176 F HA 0.367 4.901 4.527 0.012 0.000 0.301 176 F C 0.648 176.485 175.800 0.062 0.000 1.103 176 F CA -0.198 57.841 58.000 0.066 0.000 1.291 176 F CB 0.105 39.150 39.000 0.074 0.000 1.086 176 F HN -0.027 nan 8.300 nan 0.000 0.592 177 L N 1.225 122.610 121.223 0.269 0.000 2.439 177 L HA 0.515 4.862 4.340 0.012 0.000 0.259 177 L C 0.052 176.971 176.870 0.082 0.000 1.129 177 L CA -0.627 54.308 54.840 0.157 0.000 0.803 177 L CB 0.986 43.149 42.059 0.172 0.000 1.161 177 L HN 0.040 nan 8.230 nan 0.000 0.462 178 R N 0.917 121.427 120.500 0.016 0.000 2.774 178 R HA 0.783 5.130 4.340 0.012 0.000 0.272 178 R C -1.126 175.153 176.300 -0.036 0.000 1.000 178 R CA -1.002 55.097 56.100 -0.002 0.000 0.906 178 R CB 1.395 31.685 30.300 -0.016 0.000 1.227 178 R HN 0.545 nan 8.270 nan 0.000 0.468 179 A N 1.297 124.103 122.820 -0.024 0.000 2.531 179 A HA 0.461 4.788 4.320 0.012 0.000 0.236 179 A C 1.190 178.726 177.584 -0.079 0.000 1.062 179 A CA 1.134 53.147 52.037 -0.041 0.000 0.760 179 A CB -0.785 18.203 19.000 -0.020 0.000 0.995 179 A HN 1.315 nan 8.150 nan 0.000 0.501 180 G N 1.782 110.517 108.800 -0.109 0.000 2.509 180 G HA2 -0.217 3.750 3.960 0.012 0.000 0.256 180 G HA3 -0.217 3.750 3.960 0.012 0.000 0.256 180 G C -0.079 174.696 174.900 -0.209 0.000 1.152 180 G CA 0.302 45.322 45.100 -0.134 0.000 0.951 180 G HN 1.060 nan 8.290 nan 0.000 0.559 181 E N 2.073 122.159 120.200 -0.190 0.000 2.366 181 E HA 0.359 4.716 4.350 0.012 0.000 0.266 181 E C 0.087 176.498 176.600 -0.315 0.000 1.015 181 E CA 0.237 56.486 56.400 -0.250 0.000 0.906 181 E CB 0.285 29.886 29.700 -0.165 0.000 0.979 181 E HN 0.427 nan 8.360 nan 0.000 0.443 182 N N 2.617 120.990 118.700 -0.545 0.000 2.284 182 N HA 0.376 5.123 4.740 0.012 0.000 0.289 182 N C -1.037 174.223 175.510 -0.417 0.000 1.179 182 N CA -0.757 51.963 53.050 -0.549 0.000 0.774 182 N CB 2.384 40.414 38.487 -0.762 0.000 1.548 182 N HN 0.297 nan 8.380 nan 0.000 0.473 183 R N 1.818 122.264 120.500 -0.091 0.000 2.502 183 R HA 0.455 4.802 4.340 0.012 0.000 0.300 183 R C -1.177 175.216 176.300 0.155 0.000 0.984 183 R CA -0.486 55.653 56.100 0.065 0.000 0.882 183 R CB 0.880 31.165 30.300 -0.025 0.000 1.180 183 R HN 0.488 nan 8.270 nan 0.000 0.444 184 L N 3.054 124.408 121.223 0.218 0.000 2.379 184 L HA 0.749 5.096 4.340 0.012 0.000 0.269 184 L C -0.081 176.841 176.870 0.088 0.000 1.084 184 L CA -0.910 54.029 54.840 0.164 0.000 0.802 184 L CB 1.761 43.899 42.059 0.132 0.000 1.175 184 L HN 0.743 nan 8.230 nan 0.000 0.448 185 A N 2.444 125.327 122.820 0.106 0.000 2.381 185 A HA 0.739 5.066 4.320 0.012 0.000 0.299 185 A C -1.072 176.753 177.584 0.402 0.000 1.049 185 A CA -0.446 51.567 52.037 -0.039 0.000 0.715 185 A CB 1.623 20.077 19.000 -0.911 0.000 1.222 185 A HN 0.371 nan 8.150 nan 0.000 0.428 186 V N 3.197 123.518 119.914 0.679 0.000 2.443 186 V HA 0.463 4.590 4.120 0.012 0.000 0.293 186 V C -0.111 176.481 176.094 0.831 0.000 1.021 186 V CA -0.254 62.443 62.300 0.662 0.000 0.848 186 V CB 1.485 33.521 31.823 0.356 0.000 0.998 186 V HN 0.961 nan 8.190 nan 0.000 0.424 187 M N 6.035 126.139 119.600 0.840 0.000 2.055 187 M HA 0.529 5.016 4.480 0.012 0.000 0.347 187 M C -1.337 175.209 176.300 0.411 0.000 1.123 187 M CA -0.329 55.317 55.300 0.577 0.000 1.035 187 M CB 0.928 33.924 32.600 0.659 0.000 1.484 187 M HN 0.484 nan 8.290 nan 0.000 0.428 188 V N 6.684 126.803 119.914 0.343 0.000 2.394 188 V HA 0.375 4.502 4.120 0.012 0.000 0.282 188 V C -0.085 176.169 176.094 0.267 0.000 1.031 188 V CA -0.650 61.850 62.300 0.333 0.000 0.881 188 V CB 1.436 33.540 31.823 0.468 0.000 0.982 188 V HN 0.776 nan 8.190 nan 0.000 0.451 189 L N 5.072 126.390 121.223 0.158 0.000 2.289 189 L HA 0.507 4.854 4.340 0.012 0.000 0.285 189 L C 1.574 178.477 176.870 0.055 0.000 1.049 189 L CA -0.333 54.535 54.840 0.046 0.000 0.804 189 L CB 1.085 43.084 42.059 -0.100 0.000 1.195 189 L HN 0.643 nan 8.230 nan 0.000 0.428 190 R N 3.002 123.496 120.500 -0.011 0.000 2.073 190 R HA -0.072 4.275 4.340 0.012 0.000 0.234 190 R C -0.345 175.658 176.300 -0.496 0.000 1.134 190 R CA 1.366 57.223 56.100 -0.404 0.000 0.952 190 R CB 0.181 30.112 30.300 -0.615 0.000 0.850 190 R HN 0.569 nan 8.270 nan 0.000 0.433 191 W N 0.286 121.660 121.300 0.124 0.000 2.606 191 W HA 0.414 5.081 4.660 0.011 0.000 0.332 191 W C -0.312 176.335 176.519 0.214 0.000 1.052 191 W CA -0.803 56.620 57.345 0.131 0.000 1.223 191 W CB 1.786 31.323 29.460 0.129 0.000 1.383 191 W HN 0.062 nan 8.180 nan 0.000 0.524 192 S N -1.025 114.970 115.700 0.491 0.000 2.672 192 S HA 0.197 4.674 4.470 0.012 0.000 0.271 192 S C 0.093 174.944 174.600 0.418 0.000 1.171 192 S CA -0.422 58.076 58.200 0.497 0.000 0.817 192 S CB 1.119 64.595 63.200 0.461 0.000 1.150 192 S HN 0.619 nan 8.310 nan 0.000 0.478 193 D N 0.349 120.996 120.400 0.412 0.000 2.263 193 D HA 0.077 4.724 4.640 0.012 0.000 0.208 193 D C 1.741 178.341 176.300 0.501 0.000 0.971 193 D CA 1.169 55.456 54.000 0.477 0.000 0.867 193 D CB -0.697 40.264 40.800 0.268 0.000 0.929 193 D HN 0.703 nan 8.370 nan 0.000 0.492 194 G N 0.012 109.028 108.800 0.359 0.000 2.471 194 G HA2 -0.232 3.735 3.960 0.012 0.000 0.219 194 G HA3 -0.232 3.735 3.960 0.012 0.000 0.219 194 G C 1.687 176.772 174.900 0.307 0.000 1.125 194 G CA 0.598 45.887 45.100 0.316 0.000 0.775 194 G HN 0.293 nan 8.290 nan 0.000 0.548 195 S N 0.015 115.882 115.700 0.279 0.000 2.400 195 S HA -0.134 4.343 4.470 0.012 0.000 0.232 195 S C 1.914 176.605 174.600 0.152 0.000 1.025 195 S CA 0.890 59.222 58.200 0.221 0.000 0.993 195 S CB -0.405 62.936 63.200 0.235 0.000 0.808 195 S HN 0.566 nan 8.310 nan 0.000 0.478 196 Y N 1.107 121.524 120.300 0.195 0.000 2.421 196 Y HA 0.063 4.620 4.550 0.012 0.000 0.292 196 Y C 1.668 177.673 175.900 0.176 0.000 1.136 196 Y CA 0.657 58.781 58.100 0.040 0.000 1.255 196 Y CB -0.198 38.147 38.460 -0.192 0.000 0.991 196 Y HN 0.198 nan 8.280 nan 0.000 0.552 197 L N -0.272 121.150 121.223 0.331 0.000 2.628 197 L HA 0.108 4.455 4.340 0.012 0.000 0.229 197 L C 0.074 177.093 176.870 0.248 0.000 1.137 197 L CA 0.414 55.409 54.840 0.259 0.000 0.909 197 L CB 0.027 42.243 42.059 0.261 0.000 1.137 197 L HN 0.161 nan 8.230 nan 0.000 0.470 198 E N -0.129 120.232 120.200 0.269 0.000 3.388 198 E HA 0.040 4.397 4.350 0.012 0.000 0.214 198 E C -0.445 176.283 176.600 0.214 0.000 1.040 198 E CA -0.081 56.462 56.400 0.238 0.000 1.327 198 E CB 0.426 30.252 29.700 0.209 0.000 1.243 198 E HN 0.038 nan 8.360 nan 0.000 0.444 199 D N 1.182 121.675 120.400 0.155 0.000 2.538 199 D HA 0.023 4.670 4.640 0.012 0.000 0.234 199 D C -0.189 176.128 176.300 0.028 0.000 1.191 199 D CA -0.070 53.914 54.000 -0.026 0.000 0.828 199 D CB 0.151 40.680 40.800 -0.451 0.000 0.981 199 D HN 0.070 nan 8.370 nan 0.000 0.490 200 Q N 0.352 120.259 119.800 0.178 0.000 2.421 200 Q HA 0.129 4.476 4.340 0.012 0.000 0.255 200 Q C -0.108 176.026 176.000 0.224 0.000 1.013 200 Q CA 0.034 56.009 55.803 0.288 0.000 0.895 200 Q CB 0.590 29.645 28.738 0.529 0.000 1.271 200 Q HN 0.055 nan 8.270 nan 0.000 0.460 201 D N 2.751 123.317 120.400 0.275 0.000 2.455 201 D HA 0.207 4.854 4.640 0.012 0.000 0.234 201 D C -0.779 175.683 176.300 0.270 0.000 1.224 201 D CA 0.128 54.271 54.000 0.238 0.000 0.999 201 D CB -0.421 40.545 40.800 0.277 0.000 1.072 201 D HN 0.500 nan 8.370 nan 0.000 0.514 202 M N 0.412 120.137 119.600 0.208 0.000 3.196 202 M HA 0.368 4.855 4.480 0.012 0.000 0.279 202 M C -1.398 174.988 176.300 0.144 0.000 1.173 202 M CA -1.154 54.202 55.300 0.093 0.000 0.820 202 M CB 1.017 33.596 32.600 -0.035 0.000 1.621 202 M HN -0.065 nan 8.290 nan 0.000 0.521 203 W N 1.866 123.262 121.300 0.160 0.000 2.181 203 W HA 0.367 5.034 4.660 0.012 0.000 0.335 203 W C 0.241 176.784 176.519 0.040 0.000 1.310 203 W CA -0.042 57.382 57.345 0.132 0.000 1.226 203 W CB 0.416 29.892 29.460 0.026 0.000 1.155 203 W HN 0.286 nan 8.180 nan 0.000 0.565 204 R N 4.683 125.363 120.500 0.301 0.000 2.230 204 R HA 0.394 4.742 4.340 0.012 0.000 0.337 204 R C -0.145 176.157 176.300 0.005 0.000 1.063 204 R CA -0.205 55.985 56.100 0.149 0.000 0.935 204 R CB 0.098 30.552 30.300 0.257 0.000 1.121 204 R HN 0.555 nan 8.270 nan 0.000 0.486 205 M N 0.191 119.690 119.600 -0.167 0.000 2.739 205 M HA 0.530 5.017 4.480 0.012 0.000 0.284 205 M C 0.060 176.019 176.300 -0.568 0.000 1.103 205 M CA -0.787 54.295 55.300 -0.363 0.000 0.809 205 M CB 2.118 34.504 32.600 -0.356 0.000 1.708 205 M HN 0.610 nan 8.290 nan 0.000 0.481 206 S N -1.331 113.908 115.700 -0.768 0.000 2.636 206 S HA 0.933 5.410 4.470 0.012 0.000 0.268 206 S C -0.596 173.547 174.600 -0.761 0.000 1.159 206 S CA -0.220 57.467 58.200 -0.855 0.000 0.815 206 S CB 1.650 64.178 63.200 -1.119 0.000 1.130 206 S HN 1.455 nan 8.310 nan 0.000 0.471 207 G N -0.084 108.501 108.800 -0.358 0.000 2.343 207 G HA2 0.160 4.127 3.960 0.012 0.000 0.562 207 G HA3 0.160 4.127 3.960 0.012 0.000 0.562 207 G C -1.388 173.523 174.900 0.018 0.000 1.269 207 G CA -0.607 44.575 45.100 0.136 0.000 1.011 207 G HN 1.176 nan 8.290 nan 0.000 0.498 208 I N 2.025 122.445 120.570 -0.249 0.000 2.256 208 I HA 0.276 4.453 4.170 0.012 0.000 0.294 208 I C 1.206 177.190 176.117 -0.221 0.000 1.127 208 I CA -0.180 60.883 61.300 -0.395 0.000 1.247 208 I CB -0.143 37.371 38.000 -0.810 0.000 1.460 208 I HN 0.522 nan 8.210 nan 0.000 0.511 209 F N 4.741 124.542 119.950 -0.248 0.000 2.727 209 F HA 0.436 4.970 4.527 0.011 0.000 0.302 209 F C 0.717 176.438 175.800 -0.130 0.000 1.097 209 F CA -0.511 57.376 58.000 -0.187 0.000 1.330 209 F CB 0.106 38.998 39.000 -0.180 0.000 1.084 209 F HN 0.137 nan 8.300 nan 0.000 0.578 210 R N 0.466 120.469 120.500 -0.829 0.000 2.939 210 R HA 0.261 4.608 4.340 0.012 0.000 0.254 210 R C -0.737 175.348 176.300 -0.359 0.000 1.123 210 R CA -1.169 54.596 56.100 -0.558 0.000 1.020 210 R CB 0.604 30.526 30.300 -0.629 0.000 1.206 210 R HN -0.035 nan 8.270 nan 0.000 0.491 211 D N 0.617 120.858 120.400 -0.265 0.000 2.419 211 D HA 0.122 4.769 4.640 0.012 0.000 0.236 211 D C -0.508 175.641 176.300 -0.251 0.000 1.165 211 D CA 0.323 54.201 54.000 -0.203 0.000 0.882 211 D CB 0.773 41.489 40.800 -0.139 0.000 1.201 211 D HN -0.013 nan 8.370 nan 0.000 0.443 212 V N 1.061 120.832 119.914 -0.238 0.000 2.540 212 V HA 0.581 4.708 4.120 0.012 0.000 0.302 212 V C 0.055 176.017 176.094 -0.220 0.000 1.035 212 V CA -0.535 61.560 62.300 -0.342 0.000 0.873 212 V CB 1.632 33.231 31.823 -0.373 0.000 0.992 212 V HN 0.763 nan 8.190 nan 0.000 0.428 213 S N 4.368 119.919 115.700 -0.247 0.000 2.638 213 S HA 0.873 5.350 4.470 0.012 0.000 0.274 213 S C -1.451 173.097 174.600 -0.086 0.000 1.157 213 S CA -0.853 57.275 58.200 -0.120 0.000 0.826 213 S CB 2.139 65.305 63.200 -0.056 0.000 1.139 213 S HN 0.447 nan 8.310 nan 0.000 0.474 214 L N 1.297 122.535 121.223 0.025 0.000 2.362 214 L HA 0.779 5.126 4.340 0.012 0.000 0.275 214 L C -1.484 175.568 176.870 0.303 0.000 0.998 214 L CA -0.717 54.215 54.840 0.153 0.000 0.820 214 L CB 1.583 43.727 42.059 0.140 0.000 1.270 214 L HN 0.833 nan 8.230 nan 0.000 0.415 215 L N 4.393 125.775 121.223 0.264 0.000 2.356 215 L HA 0.506 4.853 4.340 0.012 0.000 0.277 215 L C -1.159 175.725 176.870 0.025 0.000 0.996 215 L CA -0.180 54.754 54.840 0.156 0.000 0.822 215 L CB 1.290 43.401 42.059 0.086 0.000 1.256 215 L HN 0.626 nan 8.230 nan 0.000 0.413 216 H N 5.183 124.034 119.070 -0.365 0.000 2.467 216 H HA 0.501 5.064 4.556 0.012 0.000 0.326 216 H C -1.240 173.879 175.328 -0.349 0.000 1.094 216 H CA -0.552 55.162 56.048 -0.558 0.000 1.253 216 H CB 1.220 30.141 29.762 -1.402 0.000 1.439 216 H HN 0.541 nan 8.280 nan 0.000 0.479 217 K N 5.061 125.081 120.400 -0.634 0.000 2.385 217 K HA 0.388 4.715 4.320 0.012 0.000 0.248 217 K C -2.710 173.635 176.600 -0.424 0.000 0.955 217 K CA -2.049 54.009 56.287 -0.381 0.000 0.816 217 K CB 2.163 34.501 32.500 -0.271 0.000 1.250 217 K HN 0.478 nan 8.250 nan 0.000 0.434 218 P HA 0.173 nan 4.420 nan 0.000 0.274 218 P C 0.519 177.739 177.300 -0.134 0.000 1.246 218 P CA -0.177 62.846 63.100 -0.129 0.000 0.795 218 P CB 0.496 32.160 31.700 -0.059 0.000 1.006 219 T N -0.939 113.564 114.554 -0.085 0.000 2.720 219 T HA -0.064 4.293 4.350 0.012 0.000 0.268 219 T C 0.599 175.258 174.700 -0.069 0.000 1.037 219 T CA 1.642 63.702 62.100 -0.068 0.000 1.144 219 T CB -0.667 68.180 68.868 -0.035 0.000 0.864 219 T HN 0.427 nan 8.240 nan 0.000 0.444 220 T N 3.821 118.341 114.554 -0.057 0.000 2.747 220 T HA 0.425 4.782 4.350 0.012 0.000 0.301 220 T C -0.147 174.506 174.700 -0.079 0.000 0.952 220 T CA -0.545 61.513 62.100 -0.069 0.000 0.983 220 T CB 0.416 69.261 68.868 -0.038 0.000 0.930 220 T HN 0.497 nan 8.240 nan 0.000 0.494 221 Q N 2.514 122.251 119.800 -0.106 0.000 2.553 221 Q HA 0.613 4.960 4.340 0.012 0.000 0.293 221 Q C -1.244 174.688 176.000 -0.113 0.000 1.038 221 Q CA -1.175 54.556 55.803 -0.121 0.000 0.777 221 Q CB 1.282 29.927 28.738 -0.156 0.000 1.487 221 Q HN 0.435 nan 8.270 nan 0.000 0.426 222 I N 2.594 123.074 120.570 -0.149 0.000 2.379 222 I HA 0.042 4.219 4.170 0.012 0.000 0.290 222 I C 0.737 176.780 176.117 -0.123 0.000 1.063 222 I CA -0.024 61.218 61.300 -0.096 0.000 1.351 222 I CB 1.190 39.093 38.000 -0.161 0.000 1.410 222 I HN 0.870 nan 8.210 nan 0.000 0.505 223 S N 2.686 118.417 115.700 0.052 0.000 2.511 223 S HA 0.201 4.678 4.470 0.012 0.000 0.214 223 S C 0.151 174.971 174.600 0.368 0.000 0.997 223 S CA -0.252 58.044 58.200 0.161 0.000 0.908 223 S CB 0.195 63.441 63.200 0.077 0.000 0.803 223 S HN 0.719 nan 8.310 nan 0.000 0.504 224 D N -0.306 120.321 120.400 0.377 0.000 2.728 224 D HA 0.488 5.135 4.640 0.012 0.000 0.249 224 D C -1.866 174.633 176.300 0.332 0.000 1.225 224 D CA -0.720 53.487 54.000 0.346 0.000 0.748 224 D CB 1.307 42.194 40.800 0.144 0.000 1.326 224 D HN 0.205 nan 8.370 nan 0.000 0.426 225 F N -0.633 119.394 119.950 0.127 0.000 2.650 225 F HA 0.628 5.162 4.527 0.012 0.000 0.310 225 F C -1.556 174.331 175.800 0.145 0.000 1.112 225 F CA -0.794 57.215 58.000 0.016 0.000 0.986 225 F CB 1.288 40.336 39.000 0.080 0.000 1.285 225 F HN 0.265 nan 8.300 nan 0.000 0.440 226 H N 1.686 120.822 119.070 0.109 0.000 2.589 226 H HA 0.735 5.298 4.556 0.012 0.000 0.351 226 H C -1.362 174.002 175.328 0.060 0.000 1.074 226 H CA -1.505 54.536 56.048 -0.011 0.000 1.203 226 H CB 2.667 32.407 29.762 -0.037 0.000 1.558 226 H HN 0.608 nan 8.280 nan 0.000 0.522 227 V N 2.299 122.302 119.914 0.147 0.000 2.417 227 V HA 0.659 4.786 4.120 0.012 0.000 0.291 227 V C -0.176 175.903 176.094 -0.024 0.000 1.024 227 V CA -0.533 61.807 62.300 0.067 0.000 0.861 227 V CB 1.257 33.115 31.823 0.059 0.000 0.985 227 V HN 0.927 nan 8.190 nan 0.000 0.436 228 A N 3.345 126.130 122.820 -0.059 0.000 2.413 228 A HA 0.957 5.284 4.320 0.012 0.000 0.307 228 A C -0.152 177.320 177.584 -0.186 0.000 1.087 228 A CA -0.532 51.449 52.037 -0.094 0.000 0.750 228 A CB 1.997 20.964 19.000 -0.055 0.000 1.296 228 A HN 0.916 nan 8.150 nan 0.000 0.423 229 T N -0.165 114.259 114.554 -0.217 0.000 2.890 229 T HA 0.724 5.081 4.350 0.012 0.000 0.295 229 T C -0.569 173.909 174.700 -0.371 0.000 0.993 229 T CA -0.637 61.239 62.100 -0.373 0.000 0.979 229 T CB 0.958 69.496 68.868 -0.549 0.000 0.967 229 T HN 0.683 nan 8.240 nan 0.000 0.441 230 R N 1.898 122.102 120.500 -0.492 0.000 2.711 230 R HA 0.789 5.136 4.340 0.012 0.000 0.284 230 R C -1.181 174.724 176.300 -0.658 0.000 0.968 230 R CA -0.746 55.141 56.100 -0.355 0.000 0.924 230 R CB 1.600 31.805 30.300 -0.158 0.000 1.162 230 R HN 0.557 nan 8.270 nan 0.000 0.465 231 F N 0.543 120.479 119.950 -0.023 0.000 2.611 231 F HA 0.373 4.906 4.527 0.010 0.000 0.324 231 F C 0.546 176.217 175.800 -0.214 0.000 1.061 231 F CA -1.080 56.849 58.000 -0.119 0.000 0.954 231 F CB 1.099 39.925 39.000 -0.291 0.000 1.301 231 F HN 0.530 nan 8.300 nan 0.000 0.482 232 N N -0.017 118.666 118.700 -0.027 0.000 2.405 232 N HA 0.065 4.812 4.740 0.012 0.000 0.269 232 N C 0.474 175.848 175.510 -0.227 0.000 1.249 232 N CA -0.182 52.814 53.050 -0.089 0.000 0.974 232 N CB 0.066 38.527 38.487 -0.044 0.000 1.204 232 N HN 0.665 nan 8.380 nan 0.000 0.565 233 D N -1.049 119.260 120.400 -0.151 0.000 2.158 233 D HA -0.250 4.397 4.640 0.012 0.000 0.197 233 D C 0.237 176.444 176.300 -0.156 0.000 0.995 233 D CA 1.668 55.575 54.000 -0.155 0.000 0.846 233 D CB -0.610 40.160 40.800 -0.049 0.000 0.941 233 D HN 0.735 nan 8.370 nan 0.000 0.456 234 D N -1.470 118.894 120.400 -0.060 0.000 2.463 234 D HA 0.046 4.693 4.640 0.012 0.000 0.224 234 D C 0.021 176.469 176.300 0.246 0.000 1.174 234 D CA -1.038 53.031 54.000 0.116 0.000 0.829 234 D CB -1.166 39.703 40.800 0.116 0.000 0.993 234 D HN 0.222 nan 8.370 nan 0.000 0.497 235 F N 0.390 120.391 119.950 0.085 0.000 3.084 235 F HA -0.297 4.237 4.527 0.011 0.000 0.286 235 F C 1.668 177.538 175.800 0.117 0.000 0.855 235 F CA 0.835 58.887 58.000 0.086 0.000 1.091 235 F CB -2.464 36.478 39.000 -0.097 0.000 1.177 235 F HN 0.250 nan 8.300 nan 0.000 0.542 236 S N -1.354 114.460 115.700 0.189 0.000 2.524 236 S HA 0.296 4.773 4.470 0.012 0.000 0.216 236 S C 0.678 175.340 174.600 0.105 0.000 0.987 236 S CA -0.037 58.242 58.200 0.133 0.000 0.909 236 S CB 0.516 63.768 63.200 0.086 0.000 0.781 236 S HN 0.444 nan 8.310 nan 0.000 0.521 237 R N -0.011 120.560 120.500 0.118 0.000 2.725 237 R HA 0.805 5.152 4.340 0.012 0.000 0.277 237 R C -1.342 175.007 176.300 0.082 0.000 0.987 237 R CA -0.274 55.863 56.100 0.061 0.000 0.901 237 R CB 2.298 32.606 30.300 0.013 0.000 1.207 237 R HN 0.280 nan 8.270 nan 0.000 0.463 238 A N 1.403 124.211 122.820 -0.018 0.000 2.566 238 A HA 0.774 5.101 4.320 0.012 0.000 0.292 238 A C -1.460 176.050 177.584 -0.122 0.000 1.112 238 A CA -0.619 51.321 52.037 -0.163 0.000 0.707 238 A CB 2.083 20.962 19.000 -0.203 0.000 1.302 238 A HN 0.331 nan 8.150 nan 0.000 0.409 239 V N 1.033 120.847 119.914 -0.166 0.000 2.531 239 V HA 0.451 4.578 4.120 0.012 0.000 0.301 239 V C -0.731 175.302 176.094 -0.101 0.000 1.034 239 V CA -0.354 61.886 62.300 -0.099 0.000 0.865 239 V CB 1.509 33.272 31.823 -0.101 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 4.616 125.819 121.223 -0.035 0.000 2.264 240 L HA 0.617 4.964 4.340 0.012 0.000 0.289 240 L C 0.009 176.837 176.870 -0.070 0.000 1.044 240 L CA 0.041 54.837 54.840 -0.073 0.000 0.807 240 L CB 1.095 43.145 42.059 -0.015 0.000 1.192 240 L HN 0.828 nan 8.230 nan 0.000 0.425 241 E N 4.724 124.875 120.200 -0.081 0.000 2.165 241 E HA 0.658 5.015 4.350 0.012 0.000 0.266 241 E C -1.440 175.146 176.600 -0.024 0.000 0.889 241 E CA -0.769 55.601 56.400 -0.050 0.000 0.756 241 E CB 1.647 31.317 29.700 -0.050 0.000 1.131 241 E HN 0.704 nan 8.360 nan 0.000 0.411 242 A N 4.716 127.530 122.820 -0.011 0.000 2.311 242 A HA 0.315 4.642 4.320 0.012 0.000 0.306 242 A C -0.665 176.924 177.584 0.007 0.000 1.189 242 A CA -0.691 51.364 52.037 0.030 0.000 0.791 242 A CB 1.061 20.082 19.000 0.036 0.000 1.172 242 A HN 0.763 nan 8.150 nan 0.000 0.481 243 E N 2.587 122.794 120.200 0.011 0.000 2.174 243 E HA 0.544 4.901 4.350 0.012 0.000 0.282 243 E C -1.326 175.238 176.600 -0.060 0.000 0.992 243 E CA -0.350 56.014 56.400 -0.061 0.000 0.803 243 E CB 1.120 30.747 29.700 -0.121 0.000 1.090 243 E HN 0.380 nan 8.360 nan 0.000 0.396 244 V N 4.740 124.631 119.914 -0.038 0.000 2.656 244 V HA 0.297 4.424 4.120 0.012 0.000 0.307 244 V C -0.534 175.626 176.094 0.110 0.000 1.051 244 V CA -0.825 61.504 62.300 0.047 0.000 0.893 244 V CB 1.767 33.600 31.823 0.017 0.000 0.999 244 V HN 0.736 nan 8.190 nan 0.000 0.426 245 Q N 4.147 124.025 119.800 0.130 0.000 2.345 245 Q HA 0.828 5.175 4.340 0.012 0.000 0.268 245 Q C -0.894 175.189 176.000 0.138 0.000 1.054 245 Q CA -0.932 54.955 55.803 0.140 0.000 0.835 245 Q CB 2.751 31.500 28.738 0.018 0.000 1.339 245 Q HN 0.801 nan 8.270 nan 0.000 0.447 246 M N -0.814 118.799 119.600 0.021 0.000 2.716 246 M HA 0.773 5.260 4.480 0.012 0.000 0.307 246 M C -1.230 174.984 176.300 -0.143 0.000 1.223 246 M CA -0.511 54.707 55.300 -0.137 0.000 0.871 246 M CB 1.617 33.920 32.600 -0.494 0.000 1.739 246 M HN 0.548 nan 8.290 nan 0.000 0.475 247 C N 0.586 119.808 119.300 -0.130 0.000 2.707 247 C HA 1.016 5.483 4.460 0.012 0.000 0.313 247 C C 0.688 175.604 174.990 -0.122 0.000 1.209 247 C CA 0.677 59.635 59.018 -0.100 0.000 1.635 247 C CB 1.041 28.748 27.740 -0.055 0.000 2.206 247 C HN 1.400 nan 8.230 nan 0.000 0.485 248 G N 1.475 110.213 108.800 -0.103 0.000 2.416 248 G HA2 -0.091 3.876 3.960 0.012 0.000 0.203 248 G HA3 -0.091 3.876 3.960 0.012 0.000 0.203 248 G C -0.564 174.270 174.900 -0.109 0.000 1.227 248 G CA -0.465 44.579 45.100 -0.093 0.000 1.041 248 G HN 0.860 nan 8.290 nan 0.000 0.546 249 E N 0.874 121.017 120.200 -0.095 0.000 1.939 249 E HA 0.253 4.610 4.350 0.012 0.000 0.259 249 E C 0.309 176.808 176.600 -0.168 0.000 1.259 249 E CA -0.178 56.166 56.400 -0.092 0.000 0.971 249 E CB -0.231 29.452 29.700 -0.029 0.000 1.055 249 E HN 0.369 nan 8.360 nan 0.000 0.420 250 L N 5.283 126.391 121.223 -0.192 0.000 2.313 250 L HA 0.257 4.604 4.340 0.012 0.000 0.282 250 L C 0.071 176.785 176.870 -0.261 0.000 1.092 250 L CA 0.098 54.782 54.840 -0.261 0.000 0.831 250 L CB 0.223 42.158 42.059 -0.207 0.000 1.159 250 L HN 0.398 nan 8.230 nan 0.000 0.442 251 R N 2.526 122.790 120.500 -0.394 0.000 2.707 251 R HA 0.187 4.535 4.340 0.012 0.000 0.272 251 R C -0.262 175.744 176.300 -0.491 0.000 1.011 251 R CA -0.829 54.973 56.100 -0.497 0.000 0.893 251 R CB 1.492 31.203 30.300 -0.982 0.000 1.233 251 R HN 0.503 nan 8.270 nan 0.000 0.464 252 D N 0.919 121.143 120.400 -0.294 0.000 2.263 252 D HA -0.143 4.504 4.640 0.012 0.000 0.208 252 D C 1.530 177.769 176.300 -0.101 0.000 0.971 252 D CA 1.550 55.466 54.000 -0.140 0.000 0.867 252 D CB 0.049 40.823 40.800 -0.043 0.000 0.929 252 D HN 0.561 nan 8.370 nan 0.000 0.492 253 Y N -0.179 120.131 120.300 0.017 0.000 2.583 253 Y HA 0.226 4.783 4.550 0.012 0.000 0.293 253 Y C 0.824 176.730 175.900 0.011 0.000 1.157 253 Y CA -0.396 57.712 58.100 0.014 0.000 1.315 253 Y CB -0.867 37.601 38.460 0.013 0.000 1.021 253 Y HN -0.184 nan 8.280 nan 0.000 0.536 254 L N 2.612 123.762 121.223 -0.122 0.000 2.439 254 L HA 0.320 4.667 4.340 0.012 0.000 0.269 254 L C 0.182 177.084 176.870 0.054 0.000 1.179 254 L CA -0.172 54.707 54.840 0.064 0.000 0.828 254 L CB 0.496 42.575 42.059 0.033 0.000 1.106 254 L HN 0.172 nan 8.230 nan 0.000 0.467 255 R N 1.729 122.163 120.500 -0.111 0.000 2.764 255 R HA 0.686 5.033 4.340 0.012 0.000 0.270 255 R C -1.530 174.494 176.300 -0.459 0.000 1.014 255 R CA -0.821 55.066 56.100 -0.355 0.000 0.904 255 R CB 2.042 32.023 30.300 -0.533 0.000 1.236 255 R HN 0.266 nan 8.270 nan 0.000 0.466 256 V N 0.804 120.475 119.914 -0.406 0.000 2.588 256 V HA 0.489 4.616 4.120 0.012 0.000 0.304 256 V C -0.450 175.618 176.094 -0.043 0.000 1.042 256 V CA -0.520 61.645 62.300 -0.224 0.000 0.877 256 V CB 2.331 33.958 31.823 -0.327 0.000 0.996 256 V HN 0.717 nan 8.190 nan 0.000 0.425 257 T N 4.186 118.826 114.554 0.144 0.000 2.809 257 T HA 0.584 4.941 4.350 0.012 0.000 0.284 257 T C -0.627 174.098 174.700 0.041 0.000 0.992 257 T CA -0.304 61.872 62.100 0.126 0.000 0.957 257 T CB 1.528 70.493 68.868 0.162 0.000 0.942 257 T HN 0.334 nan 8.240 nan 0.000 0.439 258 V N 4.108 124.025 119.914 0.006 0.000 2.417 258 V HA 0.687 4.814 4.120 0.012 0.000 0.291 258 V C 0.019 176.122 176.094 0.016 0.000 1.024 258 V CA -0.733 61.568 62.300 0.000 0.000 0.861 258 V CB 1.748 33.557 31.823 -0.022 0.000 0.985 258 V HN 1.033 nan 8.190 nan 0.000 0.436 259 S N 5.278 121.017 115.700 0.065 0.000 2.513 259 S HA 0.839 5.316 4.470 0.012 0.000 0.299 259 S C -1.124 173.542 174.600 0.109 0.000 1.087 259 S CA -0.759 57.470 58.200 0.048 0.000 1.012 259 S CB 2.058 65.323 63.200 0.110 0.000 1.044 259 S HN 0.535 nan 8.310 nan 0.000 0.485 260 L N 2.655 123.841 121.223 -0.062 0.000 2.333 260 L HA 0.781 5.128 4.340 0.012 0.000 0.280 260 L C -1.931 174.892 176.870 -0.078 0.000 1.004 260 L CA -0.325 54.552 54.840 0.062 0.000 0.820 260 L CB 0.762 42.849 42.059 0.047 0.000 1.247 260 L HN 0.880 nan 8.230 nan 0.000 0.416 261 W N 3.816 125.221 121.300 0.176 0.000 2.666 261 W HA 0.577 5.244 4.660 0.012 0.000 0.334 261 W C -0.438 176.208 176.519 0.211 0.000 1.051 261 W CA -0.477 56.958 57.345 0.149 0.000 1.224 261 W CB 1.303 30.798 29.460 0.060 0.000 1.405 261 W HN 0.391 nan 8.180 nan 0.000 0.513 262 Q N 2.649 122.623 119.800 0.291 0.000 2.413 262 Q HA 0.458 4.805 4.340 0.012 0.000 0.258 262 Q C 0.776 176.825 176.000 0.081 0.000 1.037 262 Q CA 0.464 56.286 55.803 0.031 0.000 0.764 262 Q CB 0.834 29.520 28.738 -0.086 0.000 1.217 262 Q HN 0.812 nan 8.270 nan 0.000 0.490 263 G N 3.420 112.260 108.800 0.067 0.000 2.611 263 G HA2 -0.334 3.633 3.960 0.012 0.000 0.301 263 G HA3 -0.334 3.633 3.960 0.012 0.000 0.301 263 G C 0.316 175.315 174.900 0.164 0.000 1.233 263 G CA 0.356 45.499 45.100 0.073 0.000 0.993 263 G HN 0.713 nan 8.290 nan 0.000 0.553 264 E N 1.221 121.509 120.200 0.147 0.000 2.476 264 E HA 0.149 4.506 4.350 0.012 0.000 0.191 264 E C 0.628 177.453 176.600 0.375 0.000 1.064 264 E CA 0.740 57.272 56.400 0.220 0.000 0.866 264 E CB 0.116 29.882 29.700 0.111 0.000 0.952 264 E HN 0.365 nan 8.360 nan 0.000 0.492 265 T N 1.519 116.248 114.554 0.291 0.000 2.771 265 T HA 0.166 4.523 4.350 0.012 0.000 0.281 265 T C -0.094 174.585 174.700 -0.036 0.000 0.982 265 T CA -0.468 61.712 62.100 0.133 0.000 0.978 265 T CB 1.972 70.868 68.868 0.047 0.000 0.930 265 T HN 0.003 nan 8.240 nan 0.000 0.447 266 Q N 2.783 122.286 119.800 -0.495 0.000 2.295 266 Q HA 0.309 4.656 4.340 0.012 0.000 0.259 266 Q C 0.912 176.652 176.000 -0.433 0.000 0.976 266 Q CA -0.470 54.740 55.803 -0.988 0.000 0.923 266 Q CB 0.743 28.645 28.738 -1.394 0.000 1.185 266 Q HN 0.686 nan 8.270 nan 0.000 0.410 267 V N 0.900 120.640 119.914 -0.290 0.000 3.471 267 V HA 0.597 4.724 4.120 0.012 0.000 0.258 267 V C 0.297 176.299 176.094 -0.155 0.000 1.192 267 V CA 0.698 62.914 62.300 -0.140 0.000 1.116 267 V CB 0.002 31.823 31.823 -0.002 0.000 0.792 267 V HN 0.649 nan 8.190 nan 0.000 0.459 268 A N -0.943 121.755 122.820 -0.203 0.000 2.601 268 A HA 0.831 5.158 4.320 0.012 0.000 0.291 268 A C -0.662 176.826 177.584 -0.161 0.000 1.075 268 A CA 0.217 52.164 52.037 -0.149 0.000 0.671 268 A CB 1.512 20.452 19.000 -0.099 0.000 1.277 268 A HN 0.686 nan 8.150 nan 0.000 0.417 269 S N -1.352 114.281 115.700 -0.111 0.000 2.565 269 S HA 0.762 5.239 4.470 0.012 0.000 0.274 269 S C -0.663 173.903 174.600 -0.057 0.000 1.144 269 S CA 0.226 58.373 58.200 -0.087 0.000 0.849 269 S CB 1.568 64.705 63.200 -0.105 0.000 1.103 269 S HN 2.413 nan 8.310 nan 0.000 0.455 270 G N 1.353 110.130 108.800 -0.038 0.000 2.718 270 G HA2 0.655 4.622 3.960 0.012 0.000 0.295 270 G HA3 0.655 4.622 3.960 0.012 0.000 0.295 270 G C -1.481 173.408 174.900 -0.018 0.000 1.421 270 G CA -0.389 44.691 45.100 -0.032 0.000 0.902 270 G HN 0.718 nan 8.290 nan 0.000 0.501 271 T N -0.249 114.297 114.554 -0.013 0.000 2.893 271 T HA 0.853 5.210 4.350 0.012 0.000 0.293 271 T C -0.338 174.338 174.700 -0.041 0.000 1.027 271 T CA -0.047 62.055 62.100 0.003 0.000 0.988 271 T CB 1.838 70.745 68.868 0.066 0.000 1.043 271 T HN 1.558 nan 8.240 nan 0.000 0.461 272 A N 3.281 126.045 122.820 -0.093 0.000 2.606 272 A HA 0.924 5.251 4.320 0.012 0.000 0.293 272 A C -3.077 174.394 177.584 -0.188 0.000 1.082 272 A CA -1.646 50.318 52.037 -0.123 0.000 0.685 272 A CB 1.359 20.278 19.000 -0.136 0.000 1.284 272 A HN 0.534 nan 8.150 nan 0.000 0.408 273 P HA 0.516 nan 4.420 nan 0.000 0.278 273 P C -0.635 176.557 177.300 -0.180 0.000 1.266 273 P CA -0.275 62.753 63.100 -0.121 0.000 0.807 273 P CB 0.372 32.052 31.700 -0.034 0.000 1.094 274 F N -0.122 119.785 119.950 -0.072 0.000 2.450 274 F HA 0.458 4.992 4.527 0.012 0.000 0.339 274 F C 1.486 177.265 175.800 -0.035 0.000 1.146 274 F CA 1.552 59.520 58.000 -0.054 0.000 1.267 274 F CB 0.213 39.174 39.000 -0.065 0.000 1.178 274 F HN 0.575 nan 8.300 nan 0.000 0.585 275 G N 1.769 110.674 108.800 0.175 0.000 2.344 275 G HA2 0.319 4.286 3.960 0.012 0.000 0.252 275 G HA3 0.319 4.286 3.960 0.012 0.000 0.252 275 G C -0.311 174.631 174.900 0.070 0.000 1.415 275 G CA -0.734 44.431 45.100 0.109 0.000 1.224 275 G HN 1.052 nan 8.290 nan 0.000 0.616 276 G N 0.963 109.825 108.800 0.105 0.000 2.651 276 G HA2 0.587 4.554 3.960 0.012 0.000 0.260 276 G HA3 0.587 4.554 3.960 0.012 0.000 0.260 276 G C 0.574 175.512 174.900 0.064 0.000 1.216 276 G CA -0.002 45.150 45.100 0.087 0.000 0.913 276 G HN 0.907 nan 8.290 nan 0.000 0.535 277 E N -0.342 119.888 120.200 0.050 0.000 2.425 277 E HA 0.042 4.399 4.350 0.012 0.000 0.258 277 E C 0.247 176.869 176.600 0.036 0.000 1.151 277 E CA -0.352 56.068 56.400 0.033 0.000 0.958 277 E CB 0.724 30.439 29.700 0.025 0.000 0.968 277 E HN 0.318 nan 8.360 nan 0.000 0.451 278 I N 1.420 122.000 120.570 0.016 0.000 2.648 278 I HA -0.076 4.101 4.170 0.012 0.000 0.284 278 I C 1.396 177.520 176.117 0.011 0.000 1.153 278 I CA 0.299 61.602 61.300 0.004 0.000 1.426 278 I CB 0.282 38.279 38.000 -0.004 0.000 1.381 278 I HN 0.575 nan 8.210 nan 0.000 0.571 279 I N 1.054 121.624 120.570 0.001 0.000 4.456 279 I HA 0.343 4.520 4.170 0.012 0.000 0.329 279 I C -0.284 175.831 176.117 -0.002 0.000 1.313 279 I CA -0.061 61.248 61.300 0.015 0.000 1.205 279 I CB 0.512 38.546 38.000 0.056 0.000 1.179 279 I HN 0.595 nan 8.210 nan 0.000 0.419 280 D N -0.417 119.968 120.400 -0.024 0.000 2.838 280 D HA 0.191 4.838 4.640 0.012 0.000 0.334 280 D C 0.204 176.487 176.300 -0.029 0.000 1.315 280 D CA -0.524 53.462 54.000 -0.023 0.000 0.917 280 D CB 0.490 41.276 40.800 -0.023 0.000 1.435 280 D HN -0.118 nan 8.370 nan 0.000 0.517 281 E N -1.130 119.055 120.200 -0.025 0.000 2.333 281 E HA -0.010 4.347 4.350 0.012 0.000 0.198 281 E C 1.201 177.781 176.600 -0.032 0.000 1.007 281 E CA 0.831 57.217 56.400 -0.024 0.000 0.845 281 E CB 0.023 29.712 29.700 -0.018 0.000 0.766 281 E HN 0.190 nan 8.360 nan 0.000 0.507 282 R N -0.305 120.167 120.500 -0.046 0.000 2.334 282 R HA 0.296 4.643 4.340 0.012 0.000 0.216 282 R C 0.746 177.003 176.300 -0.072 0.000 0.905 282 R CA 0.667 56.733 56.100 -0.058 0.000 1.064 282 R CB 0.589 30.849 30.300 -0.067 0.000 1.046 282 R HN 0.207 nan 8.270 nan 0.000 0.508 283 G N -0.633 108.127 108.800 -0.067 0.000 2.384 283 G HA2 -0.106 3.861 3.960 0.012 0.000 0.200 283 G HA3 -0.106 3.861 3.960 0.012 0.000 0.200 283 G C -0.246 174.600 174.900 -0.091 0.000 1.205 283 G CA -0.619 44.441 45.100 -0.068 0.000 1.116 283 G HN 0.464 nan 8.290 nan 0.000 0.547 284 G N -2.001 106.740 108.800 -0.098 0.000 3.105 284 G HA2 0.639 4.606 3.960 0.012 0.000 0.277 284 G HA3 0.639 4.606 3.960 0.012 0.000 0.277 284 G C -1.561 173.232 174.900 -0.177 0.000 1.375 284 G CA -0.735 44.309 45.100 -0.094 0.000 0.962 284 G HN 0.766 nan 8.290 nan 0.000 0.541 285 Y N 1.062 121.372 120.300 0.017 0.000 2.504 285 Y HA 0.407 4.963 4.550 0.011 0.000 0.351 285 Y C 1.453 177.376 175.900 0.038 0.000 0.988 285 Y CA 0.121 58.235 58.100 0.024 0.000 1.239 285 Y CB 1.664 40.144 38.460 0.033 0.000 1.128 285 Y HN 0.544 nan 8.280 nan 0.000 0.525 286 A N 1.738 124.625 122.820 0.111 0.000 2.168 286 A HA -0.126 4.201 4.320 0.012 0.000 0.215 286 A C 1.306 178.963 177.584 0.121 0.000 1.152 286 A CA 1.256 53.347 52.037 0.091 0.000 0.716 286 A CB -0.262 18.749 19.000 0.019 0.000 0.794 286 A HN 0.786 nan 8.150 nan 0.000 0.465 287 D N -0.817 119.665 120.400 0.137 0.000 2.388 287 D HA 0.137 4.784 4.640 0.012 0.000 0.221 287 D C 0.445 176.880 176.300 0.223 0.000 1.133 287 D CA -0.063 53.961 54.000 0.040 0.000 0.831 287 D CB -0.021 40.763 40.800 -0.026 0.000 0.962 287 D HN 0.385 nan 8.370 nan 0.000 0.502 288 R N -0.675 120.041 120.500 0.361 0.000 2.837 288 R HA 0.751 5.098 4.340 0.012 0.000 0.271 288 R C -1.552 174.871 176.300 0.206 0.000 0.993 288 R CA -1.154 55.127 56.100 0.302 0.000 0.931 288 R CB 3.131 33.478 30.300 0.079 0.000 1.206 288 R HN -0.025 nan 8.270 nan 0.000 0.474 289 V N 0.491 120.401 119.914 -0.006 0.000 2.932 289 V HA 0.484 4.611 4.120 0.012 0.000 0.307 289 V C -1.438 174.581 176.094 -0.126 0.000 1.147 289 V CA -0.288 61.919 62.300 -0.156 0.000 0.951 289 V CB 2.705 34.254 31.823 -0.456 0.000 1.031 289 V HN 0.802 nan 8.190 nan 0.000 0.426 290 T N 7.546 122.044 114.554 -0.093 0.000 2.786 290 T HA 0.562 4.919 4.350 0.012 0.000 0.283 290 T C -0.869 173.786 174.700 -0.076 0.000 0.992 290 T CA -0.369 61.688 62.100 -0.071 0.000 0.954 290 T CB 0.966 69.808 68.868 -0.042 0.000 0.934 290 T HN 0.416 nan 8.240 nan 0.000 0.440 291 L N 3.803 124.983 121.223 -0.073 0.000 2.307 291 L HA 0.550 4.897 4.340 0.012 0.000 0.282 291 L C 0.487 177.328 176.870 -0.049 0.000 1.051 291 L CA -0.308 54.492 54.840 -0.066 0.000 0.804 291 L CB 1.296 43.315 42.059 -0.066 0.000 1.197 291 L HN 0.535 nan 8.230 nan 0.000 0.431 292 R N 3.601 124.073 120.500 -0.047 0.000 2.360 292 R HA 0.600 4.947 4.340 0.012 0.000 0.318 292 R C -1.315 174.959 176.300 -0.043 0.000 0.950 292 R CA -0.956 55.118 56.100 -0.044 0.000 0.837 292 R CB 1.884 32.158 30.300 -0.043 0.000 1.165 292 R HN 0.234 nan 8.270 nan 0.000 0.458 293 L N 3.000 124.199 121.223 -0.040 0.000 2.313 293 L HA 0.352 4.699 4.340 0.012 0.000 0.283 293 L C -0.209 176.638 176.870 -0.039 0.000 1.013 293 L CA -0.623 54.194 54.840 -0.038 0.000 0.816 293 L CB 1.489 43.531 42.059 -0.029 0.000 1.236 293 L HN 0.451 nan 8.230 nan 0.000 0.419 294 N N 2.546 121.217 118.700 -0.047 0.000 2.472 294 N HA 0.452 5.199 4.740 0.012 0.000 0.277 294 N C -0.977 174.492 175.510 -0.068 0.000 1.081 294 N CA -0.219 52.799 53.050 -0.053 0.000 0.973 294 N CB 2.234 40.692 38.487 -0.049 0.000 1.105 294 N HN 0.213 nan 8.380 nan 0.000 0.470 295 V N 2.185 122.046 119.914 -0.088 0.000 2.482 295 V HA 0.181 4.308 4.120 0.012 0.000 0.295 295 V C -0.204 175.814 176.094 -0.126 0.000 1.026 295 V CA -0.884 61.326 62.300 -0.150 0.000 0.856 295 V CB 1.903 33.544 31.823 -0.303 0.000 1.001 295 V HN 0.451 nan 8.190 nan 0.000 0.424 296 E N 2.897 123.045 120.200 -0.086 0.000 2.283 296 E HA 0.292 4.649 4.350 0.012 0.000 0.278 296 E C 0.242 176.820 176.600 -0.036 0.000 1.027 296 E CA -0.381 55.992 56.400 -0.046 0.000 0.843 296 E CB 0.503 30.186 29.700 -0.029 0.000 1.062 296 E HN 0.731 nan 8.360 nan 0.000 0.401 297 N N 1.360 120.060 118.700 0.000 0.000 2.688 297 N HA -0.147 4.600 4.740 0.012 0.000 0.258 297 N C -2.472 173.044 175.510 0.010 0.000 1.016 297 N CA 0.137 53.203 53.050 0.026 0.000 0.747 297 N CB -0.877 37.625 38.487 0.025 0.000 0.895 297 N HN 0.329 nan 8.380 nan 0.000 0.543 298 P HA 0.012 nan 4.420 nan 0.000 0.269 298 P C -0.487 176.850 177.300 0.062 0.000 1.209 298 P CA 0.263 63.289 63.100 -0.124 0.000 0.776 298 P CB 0.745 32.173 31.700 -0.453 0.000 0.876 299 K N 2.482 122.993 120.400 0.185 0.000 2.349 299 K HA 0.267 4.594 4.320 0.012 0.000 0.289 299 K C 0.246 176.988 176.600 0.236 0.000 1.064 299 K CA -0.322 56.059 56.287 0.156 0.000 0.947 299 K CB 0.085 32.636 32.500 0.086 0.000 1.007 299 K HN 0.420 nan 8.250 nan 0.000 0.478 300 L N 2.357 123.650 121.223 0.118 0.000 2.418 300 L HA 0.286 4.633 4.340 0.012 0.000 0.265 300 L C 0.041 176.981 176.870 0.116 0.000 1.143 300 L CA -0.785 54.130 54.840 0.124 0.000 0.809 300 L CB 0.383 42.349 42.059 -0.155 0.000 1.124 300 L HN 0.595 nan 8.230 nan 0.000 0.456 301 W N 2.612 123.930 121.300 0.031 0.000 2.417 301 W HA 0.477 5.144 4.660 0.011 0.000 0.317 301 W C -0.011 176.454 176.519 -0.090 0.000 1.121 301 W CA 0.062 57.414 57.345 0.012 0.000 1.208 301 W CB 1.339 30.861 29.460 0.104 0.000 1.253 301 W HN 0.610 nan 8.180 nan 0.000 0.533 302 S N 2.942 118.096 115.700 -0.910 0.000 2.656 302 S HA 0.675 5.152 4.470 0.012 0.000 0.273 302 S C 0.095 173.881 174.600 -1.358 0.000 1.168 302 S CA -0.356 57.346 58.200 -0.830 0.000 0.817 302 S CB 1.204 64.203 63.200 -0.334 0.000 1.146 302 S HN 0.940 nan 8.310 nan 0.000 0.475 303 A N 0.277 122.471 122.820 -1.044 0.000 2.066 303 A HA 0.112 4.439 4.320 0.012 0.000 0.218 303 A C 1.728 178.978 177.584 -0.556 0.000 1.157 303 A CA 1.196 52.638 52.037 -0.991 0.000 0.670 303 A CB -0.886 17.407 19.000 -1.178 0.000 0.804 303 A HN 0.864 nan 8.150 nan 0.000 0.453 304 E N -0.732 119.279 120.200 -0.315 0.000 2.107 304 E HA 0.051 4.408 4.350 0.012 0.000 0.191 304 E C -0.271 176.187 176.600 -0.236 0.000 0.982 304 E CA 0.698 56.979 56.400 -0.198 0.000 0.809 304 E CB 0.036 29.759 29.700 0.038 0.000 0.756 304 E HN 0.597 nan 8.360 nan 0.000 0.459 305 I N 1.532 121.931 120.570 -0.286 0.000 2.603 305 I HA 0.145 4.322 4.170 0.012 0.000 0.276 305 I C -2.535 173.351 176.117 -0.385 0.000 1.133 305 I CA -1.793 59.360 61.300 -0.244 0.000 1.070 305 I CB 2.228 40.139 38.000 -0.149 0.000 1.215 305 I HN -0.226 nan 8.210 nan 0.000 0.487 306 P HA 0.076 nan 4.420 nan 0.000 0.226 306 P C -0.527 176.754 177.300 -0.032 0.000 1.783 306 P CA -0.203 62.589 63.100 -0.514 0.000 0.980 306 P CB -0.287 31.261 31.700 -0.254 0.000 1.967 307 N N 1.614 120.315 118.700 0.002 0.000 2.454 307 N HA 0.122 4.869 4.740 0.012 0.000 0.260 307 N C 0.130 175.841 175.510 0.335 0.000 1.218 307 N CA 0.496 53.616 53.050 0.117 0.000 0.904 307 N CB 0.720 39.267 38.487 0.100 0.000 1.065 307 N HN 0.296 nan 8.380 nan 0.000 0.462 308 L N 2.124 123.468 121.223 0.202 0.000 2.371 308 L HA 0.480 4.827 4.340 0.012 0.000 0.262 308 L C -0.868 176.092 176.870 0.150 0.000 1.006 308 L CA -0.848 54.166 54.840 0.291 0.000 0.818 308 L CB 1.378 43.580 42.059 0.237 0.000 1.354 308 L HN 0.394 nan 8.230 nan 0.000 0.415 309 Y N 0.142 120.594 120.300 0.254 0.000 2.621 309 Y HA 0.667 5.224 4.550 0.012 0.000 0.334 309 Y C -0.224 175.799 175.900 0.206 0.000 1.074 309 Y CA -0.790 57.458 58.100 0.248 0.000 1.149 309 Y CB 1.759 40.425 38.460 0.344 0.000 1.302 309 Y HN 0.375 nan 8.280 nan 0.000 0.501 310 R N 1.086 121.829 120.500 0.404 0.000 2.437 310 R HA 0.795 5.142 4.340 0.012 0.000 0.310 310 R C -1.638 174.849 176.300 0.311 0.000 0.955 310 R CA -0.532 55.729 56.100 0.269 0.000 0.851 310 R CB 1.069 31.459 30.300 0.149 0.000 1.161 310 R HN 0.730 nan 8.270 nan 0.000 0.446 311 A N 4.064 127.011 122.820 0.211 0.000 2.271 311 A HA 0.590 4.917 4.320 0.012 0.000 0.317 311 A C -1.014 176.622 177.584 0.087 0.000 1.245 311 A CA -0.646 51.494 52.037 0.171 0.000 0.857 311 A CB 1.161 20.231 19.000 0.117 0.000 1.175 311 A HN 0.492 nan 8.150 nan 0.000 0.512 312 V N 3.528 123.501 119.914 0.099 0.000 2.417 312 V HA 0.350 4.477 4.120 0.012 0.000 0.291 312 V C -0.273 175.797 176.094 -0.040 0.000 1.024 312 V CA -0.485 61.809 62.300 -0.010 0.000 0.861 312 V CB 1.616 33.432 31.823 -0.012 0.000 0.985 312 V HN 0.602 nan 8.190 nan 0.000 0.436 313 V N 4.954 124.780 119.914 -0.146 0.000 2.294 313 V HA 0.368 4.495 4.120 0.012 0.000 0.272 313 V C 0.068 176.109 176.094 -0.089 0.000 1.027 313 V CA -0.566 61.628 62.300 -0.177 0.000 0.823 313 V CB 0.896 32.454 31.823 -0.443 0.000 1.030 313 V HN 0.914 nan 8.190 nan 0.000 0.457 314 E N 3.802 124.003 120.200 0.002 0.000 2.174 314 E HA 0.474 4.831 4.350 0.012 0.000 0.282 314 E C -0.814 175.884 176.600 0.164 0.000 0.992 314 E CA -0.801 55.645 56.400 0.076 0.000 0.803 314 E CB 2.324 32.075 29.700 0.085 0.000 1.090 314 E HN 0.479 nan 8.360 nan 0.000 0.396 315 L N 4.816 126.114 121.223 0.126 0.000 2.257 315 L HA 0.363 4.710 4.340 0.012 0.000 0.290 315 L C -0.980 176.004 176.870 0.190 0.000 1.044 315 L CA 0.098 55.013 54.840 0.126 0.000 0.810 315 L CB -0.007 42.105 42.059 0.088 0.000 1.193 315 L HN 0.654 nan 8.230 nan 0.000 0.425 316 H N 0.220 119.345 119.070 0.093 0.000 2.990 316 H HA 0.718 5.281 4.556 0.012 0.000 0.336 316 H C -0.690 174.720 175.328 0.137 0.000 1.306 316 H CA -0.520 55.580 56.048 0.087 0.000 1.118 316 H CB 0.557 30.348 29.762 0.049 0.000 1.856 316 H HN 0.510 nan 8.280 nan 0.000 0.538 317 T N -1.716 112.970 114.554 0.220 0.000 2.882 317 T HA 0.459 4.816 4.350 0.012 0.000 0.287 317 T C 1.468 176.311 174.700 0.239 0.000 1.014 317 T CA -0.288 61.935 62.100 0.205 0.000 1.049 317 T CB 1.349 70.246 68.868 0.049 0.000 1.001 317 T HN 0.929 nan 8.240 nan 0.000 0.525 318 A N 1.203 124.131 122.820 0.181 0.000 1.940 318 A HA -0.066 4.261 4.320 0.012 0.000 0.219 318 A C 1.807 179.489 177.584 0.163 0.000 1.176 318 A CA 1.488 53.628 52.037 0.171 0.000 0.631 318 A CB -0.823 18.249 19.000 0.120 0.000 0.814 318 A HN 0.860 nan 8.150 nan 0.000 0.446 319 D N -1.568 118.898 120.400 0.109 0.000 2.349 319 D HA 0.292 4.939 4.640 0.012 0.000 0.224 319 D C 1.257 177.591 176.300 0.057 0.000 1.029 319 D CA 1.161 55.198 54.000 0.061 0.000 0.879 319 D CB 0.189 41.002 40.800 0.022 0.000 0.906 319 D HN 0.617 nan 8.370 nan 0.000 0.528 320 G N -0.357 108.505 108.800 0.104 0.000 2.205 320 G HA2 -0.200 3.767 3.960 0.012 0.000 0.180 320 G HA3 -0.200 3.767 3.960 0.012 0.000 0.180 320 G C 0.395 175.319 174.900 0.040 0.000 1.004 320 G CA -0.248 44.883 45.100 0.051 0.000 0.670 320 G HN 0.237 nan 8.290 nan 0.000 0.496 321 T N 1.844 116.439 114.554 0.070 0.000 2.743 321 T HA 0.520 4.877 4.350 0.012 0.000 0.293 321 T C 0.198 174.956 174.700 0.096 0.000 0.945 321 T CA -0.202 61.927 62.100 0.049 0.000 1.030 321 T CB 1.793 70.672 68.868 0.018 0.000 0.912 321 T HN 0.588 nan 8.240 nan 0.000 0.483 322 L N 5.291 126.551 121.223 0.061 0.000 2.360 322 L HA 0.355 4.702 4.340 0.012 0.000 0.276 322 L C 0.819 177.734 176.870 0.076 0.000 1.121 322 L CA 0.349 55.241 54.840 0.086 0.000 0.845 322 L CB 0.044 42.124 42.059 0.035 0.000 1.143 322 L HN 0.693 nan 8.230 nan 0.000 0.452 323 I N 2.989 123.616 120.570 0.094 0.000 2.270 323 I HA 0.057 4.234 4.170 0.012 0.000 0.239 323 I C 0.396 176.535 176.117 0.036 0.000 1.080 323 I CA 0.724 62.060 61.300 0.060 0.000 1.383 323 I CB 0.082 38.122 38.000 0.067 0.000 1.097 323 I HN 0.822 nan 8.210 nan 0.000 0.420 324 E N -0.051 120.171 120.200 0.037 0.000 2.416 324 E HA 0.730 5.087 4.350 0.012 0.000 0.280 324 E C -1.432 175.188 176.600 0.032 0.000 1.055 324 E CA -1.126 55.287 56.400 0.022 0.000 0.825 324 E CB 1.804 31.485 29.700 -0.032 0.000 1.312 324 E HN 0.002 nan 8.360 nan 0.000 0.452 325 A N 1.179 124.041 122.820 0.071 0.000 2.414 325 A HA 0.666 4.993 4.320 0.012 0.000 0.306 325 A C -1.003 176.680 177.584 0.165 0.000 1.054 325 A CA -0.765 51.315 52.037 0.071 0.000 0.724 325 A CB 1.569 20.601 19.000 0.053 0.000 1.267 325 A HN 0.509 nan 8.150 nan 0.000 0.418 326 E N -0.154 120.070 120.200 0.040 0.000 2.299 326 E HA 0.849 5.206 4.350 0.012 0.000 0.260 326 E C -0.438 176.176 176.600 0.024 0.000 0.944 326 E CA -0.568 55.907 56.400 0.125 0.000 0.815 326 E CB 2.369 32.047 29.700 -0.035 0.000 1.252 326 E HN 1.180 nan 8.360 nan 0.000 0.418 327 A N -0.110 122.838 122.820 0.213 0.000 2.601 327 A HA 0.689 5.016 4.320 0.012 0.000 0.291 327 A C -1.167 176.596 177.584 0.299 0.000 1.075 327 A CA -0.442 51.659 52.037 0.106 0.000 0.671 327 A CB 0.782 19.762 19.000 -0.035 0.000 1.277 327 A HN 0.854 nan 8.150 nan 0.000 0.417 328 C N -0.409 119.023 119.300 0.221 0.000 3.285 328 C HA 0.817 5.284 4.460 0.012 0.000 0.325 328 C C -1.462 173.624 174.990 0.161 0.000 1.304 328 C CA -0.901 58.259 59.018 0.235 0.000 1.319 328 C CB 1.177 29.085 27.740 0.280 0.000 1.640 328 C HN 0.813 nan 8.230 nan 0.000 0.477 329 D N 1.280 121.762 120.400 0.137 0.000 2.304 329 D HA 0.562 5.209 4.640 0.012 0.000 0.250 329 D C -0.292 176.068 176.300 0.100 0.000 1.107 329 D CA 0.156 54.238 54.000 0.138 0.000 0.885 329 D CB 1.887 42.770 40.800 0.139 0.000 1.192 329 D HN 0.560 nan 8.370 nan 0.000 0.436 330 V N 1.101 121.100 119.914 0.143 0.000 2.555 330 V HA 0.706 4.833 4.120 0.012 0.000 0.302 330 V C 0.595 176.766 176.094 0.129 0.000 1.038 330 V CA -0.849 61.483 62.300 0.055 0.000 0.887 330 V CB 2.081 33.923 31.823 0.032 0.000 0.991 330 V HN 0.610 nan 8.190 nan 0.000 0.434 331 G N 2.764 111.538 108.800 -0.043 0.000 2.487 331 G HA2 0.607 4.574 3.960 0.012 0.000 0.314 331 G HA3 0.607 4.574 3.960 0.012 0.000 0.314 331 G C -1.034 173.959 174.900 0.156 0.000 1.267 331 G CA -0.401 44.766 45.100 0.113 0.000 0.937 331 G HN 0.418 nan 8.290 nan 0.000 0.481 332 F N 4.134 124.285 119.950 0.336 0.000 2.468 332 F HA 0.400 4.934 4.527 0.011 0.000 0.356 332 F C 1.156 177.205 175.800 0.415 0.000 1.167 332 F CA -0.174 58.086 58.000 0.433 0.000 1.135 332 F CB 0.578 39.875 39.000 0.496 0.000 1.197 332 F HN 0.423 nan 8.300 nan 0.000 0.569 333 R N 2.928 123.708 120.500 0.466 0.000 2.707 333 R HA 0.455 4.802 4.340 0.012 0.000 0.272 333 R C -1.664 174.816 176.300 0.300 0.000 1.011 333 R CA -0.799 55.442 56.100 0.235 0.000 0.893 333 R CB 1.568 32.028 30.300 0.267 0.000 1.233 333 R HN 0.575 nan 8.270 nan 0.000 0.464 334 E N 2.066 122.359 120.200 0.154 0.000 2.171 334 E HA 0.462 4.819 4.350 0.012 0.000 0.271 334 E C -1.181 175.505 176.600 0.144 0.000 0.916 334 E CA -0.931 55.631 56.400 0.270 0.000 0.774 334 E CB 2.046 31.998 29.700 0.420 0.000 1.128 334 E HN 0.401 nan 8.360 nan 0.000 0.403 335 V N 5.610 125.597 119.914 0.122 0.000 2.448 335 V HA 0.581 4.708 4.120 0.012 0.000 0.295 335 V C -0.168 175.970 176.094 0.074 0.000 1.025 335 V CA -0.605 61.735 62.300 0.067 0.000 0.859 335 V CB 1.230 33.068 31.823 0.024 0.000 0.988 335 V HN 0.746 nan 8.190 nan 0.000 0.431 336 R N 4.363 124.903 120.500 0.067 0.000 2.692 336 R HA 0.685 5.032 4.340 0.012 0.000 0.269 336 R C -2.226 174.104 176.300 0.050 0.000 1.030 336 R CA -0.902 55.238 56.100 0.067 0.000 0.882 336 R CB 1.848 32.202 30.300 0.090 0.000 1.250 336 R HN 0.530 nan 8.270 nan 0.000 0.465 337 I N 1.466 122.065 120.570 0.048 0.000 2.378 337 I HA 0.347 4.524 4.170 0.012 0.000 0.291 337 I C -0.674 175.467 176.117 0.041 0.000 0.992 337 I CA -0.458 60.864 61.300 0.036 0.000 1.154 337 I CB 1.902 39.924 38.000 0.037 0.000 1.315 337 I HN 0.715 nan 8.210 nan 0.000 0.448 338 E N 6.137 126.358 120.200 0.035 0.000 2.290 338 E HA 0.270 4.627 4.350 0.012 0.000 0.274 338 E C -0.284 176.332 176.600 0.027 0.000 0.889 338 E CA -0.536 55.886 56.400 0.037 0.000 0.760 338 E CB 1.060 30.788 29.700 0.048 0.000 1.206 338 E HN 0.528 nan 8.360 nan 0.000 0.419 339 N N 3.092 121.808 118.700 0.026 0.000 2.725 339 N HA -0.225 4.522 4.740 0.012 0.000 0.249 339 N C 0.494 176.013 175.510 0.015 0.000 1.103 339 N CA 2.102 55.164 53.050 0.020 0.000 0.707 339 N CB -1.177 37.320 38.487 0.018 0.000 1.043 339 N HN 1.032 nan 8.380 nan 0.000 0.553 340 G N -2.345 106.463 108.800 0.015 0.000 2.176 340 G HA2 -0.277 3.690 3.960 0.012 0.000 0.253 340 G HA3 -0.277 3.690 3.960 0.012 0.000 0.253 340 G C -0.100 174.797 174.900 -0.004 0.000 0.979 340 G CA 0.432 45.536 45.100 0.007 0.000 0.641 340 G HN 0.431 nan 8.290 nan 0.000 0.530 341 L N 0.260 121.481 121.223 -0.003 0.000 2.346 341 L HA 0.708 5.055 4.340 0.012 0.000 0.276 341 L C 0.062 176.924 176.870 -0.014 0.000 1.006 341 L CA -1.321 53.509 54.840 -0.016 0.000 0.817 341 L CB 1.856 43.907 42.059 -0.013 0.000 1.272 341 L HN 0.105 nan 8.230 nan 0.000 0.421 342 L N 4.526 125.728 121.223 -0.035 0.000 2.278 342 L HA 0.452 4.799 4.340 0.012 0.000 0.287 342 L C -0.823 176.026 176.870 -0.034 0.000 1.072 342 L CA 0.407 55.227 54.840 -0.032 0.000 0.819 342 L CB 0.352 42.376 42.059 -0.058 0.000 1.176 342 L HN 0.390 nan 8.230 nan 0.000 0.435 343 L N 5.707 126.928 121.223 -0.005 0.000 2.334 343 L HA 0.574 4.921 4.340 0.012 0.000 0.273 343 L C -0.895 175.985 176.870 0.015 0.000 1.013 343 L CA -0.926 53.920 54.840 0.010 0.000 0.816 343 L CB 1.973 44.063 42.059 0.051 0.000 1.278 343 L HN 0.547 nan 8.230 nan 0.000 0.431 344 L N 3.129 124.371 121.223 0.031 0.000 2.381 344 L HA 0.486 4.833 4.340 0.012 0.000 0.274 344 L C -0.152 176.723 176.870 0.009 0.000 0.988 344 L CA -0.039 54.822 54.840 0.035 0.000 0.824 344 L CB 1.195 43.289 42.059 0.058 0.000 1.263 344 L HN 0.583 nan 8.230 nan 0.000 0.410 345 N N 4.132 122.702 118.700 -0.216 0.000 2.710 345 N HA -0.231 4.516 4.740 0.012 0.000 0.249 345 N C 0.942 176.095 175.510 -0.595 0.000 1.059 345 N CA 1.341 53.917 53.050 -0.790 0.000 0.720 345 N CB -1.290 36.610 38.487 -0.978 0.000 0.983 345 N HN 1.221 nan 8.380 nan 0.000 0.544 346 G N -2.201 106.560 108.800 -0.065 0.000 2.179 346 G HA2 -0.346 3.621 3.960 0.012 0.000 0.260 346 G HA3 -0.346 3.621 3.960 0.012 0.000 0.260 346 G C -0.023 174.928 174.900 0.084 0.000 0.977 346 G CA 0.922 46.105 45.100 0.139 0.000 0.641 346 G HN 0.418 nan 8.290 nan 0.000 0.533 347 K N 0.415 120.854 120.400 0.067 0.000 2.328 347 K HA 0.595 4.922 4.320 0.012 0.000 0.246 347 K C -2.844 173.748 176.600 -0.013 0.000 0.955 347 K CA -2.375 53.917 56.287 0.008 0.000 0.817 347 K CB 2.244 34.698 32.500 -0.077 0.000 1.208 347 K HN 0.002 nan 8.250 nan 0.000 0.432 348 P HA 0.218 nan 4.420 nan 0.000 0.276 348 P C -0.124 177.121 177.300 -0.092 0.000 1.243 348 P CA -0.227 62.836 63.100 -0.062 0.000 0.768 348 P CB 0.471 32.134 31.700 -0.061 0.000 0.856 349 L N 3.386 124.547 121.223 -0.103 0.000 2.453 349 L HA 0.296 4.643 4.340 0.012 0.000 0.261 349 L C 0.577 177.367 176.870 -0.134 0.000 1.179 349 L CA -0.590 54.175 54.840 -0.125 0.000 0.813 349 L CB 0.415 42.354 42.059 -0.201 0.000 1.110 349 L HN 0.260 nan 8.230 nan 0.000 0.466 350 L N 4.012 125.172 121.223 -0.105 0.000 2.388 350 L HA 0.411 4.758 4.340 0.012 0.000 0.267 350 L C -0.549 176.275 176.870 -0.077 0.000 0.995 350 L CA -0.213 54.548 54.840 -0.132 0.000 0.864 350 L CB 0.822 42.830 42.059 -0.084 0.000 1.216 350 L HN 0.247 nan 8.230 nan 0.000 0.430 351 I N 4.840 125.296 120.570 -0.190 0.000 2.421 351 I HA 0.161 4.338 4.170 0.012 0.000 0.291 351 I C 0.526 176.606 176.117 -0.061 0.000 1.089 351 I CA 0.271 61.467 61.300 -0.173 0.000 1.354 351 I CB 0.259 38.022 38.000 -0.397 0.000 1.413 351 I HN 0.570 nan 8.210 nan 0.000 0.513 352 R N 4.907 125.454 120.500 0.078 0.000 2.937 352 R HA 0.453 4.800 4.340 0.012 0.000 0.264 352 R C 0.505 176.933 176.300 0.214 0.000 1.334 352 R CA -0.288 55.892 56.100 0.134 0.000 1.516 352 R CB 0.882 31.067 30.300 -0.191 0.000 1.187 352 R HN 0.754 nan 8.270 nan 0.000 0.609 353 G N 0.169 109.072 108.800 0.171 0.000 2.552 353 G HA2 0.605 4.572 3.960 0.012 0.000 0.324 353 G HA3 0.605 4.572 3.960 0.012 0.000 0.324 353 G C -1.275 173.965 174.900 0.566 0.000 1.217 353 G CA -0.496 44.720 45.100 0.192 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.125 120.079 119.914 0.482 0.000 3.012 354 V HA 0.478 4.605 4.120 0.012 0.000 0.307 354 V C -1.207 175.010 176.094 0.205 0.000 1.166 354 V CA -1.224 61.226 62.300 0.249 0.000 0.974 354 V CB 2.268 33.928 31.823 -0.272 0.000 1.040 354 V HN 0.753 nan 8.190 nan 0.000 0.428 355 N N 4.177 122.906 118.700 0.048 0.000 2.499 355 N HA 0.434 5.181 4.740 0.012 0.000 0.281 355 N C -0.761 174.532 175.510 -0.362 0.000 1.098 355 N CA -0.283 52.656 53.050 -0.185 0.000 0.979 355 N CB 1.490 39.822 38.487 -0.259 0.000 1.121 355 N HN 0.649 nan 8.380 nan 0.000 0.466 356 R N 2.320 122.584 120.500 -0.392 0.000 2.502 356 R HA 0.245 4.592 4.340 0.012 0.000 0.300 356 R C -0.940 175.104 176.300 -0.426 0.000 0.984 356 R CA -0.551 55.336 56.100 -0.354 0.000 0.882 356 R CB 0.935 31.005 30.300 -0.383 0.000 1.180 356 R HN 0.579 nan 8.270 nan 0.000 0.444 357 H N 2.121 121.026 119.070 -0.275 0.000 2.508 357 H HA 0.156 4.719 4.556 0.012 0.000 0.358 357 H C -0.517 174.788 175.328 -0.039 0.000 1.212 357 H CA -0.090 55.879 56.048 -0.131 0.000 1.356 357 H CB 1.523 31.274 29.762 -0.018 0.000 1.525 357 H HN 0.568 nan 8.280 nan 0.000 0.578 358 E N 1.639 122.011 120.200 0.286 0.000 2.001 358 E HA 0.108 4.465 4.350 0.012 0.000 0.279 358 E C -0.801 175.945 176.600 0.242 0.000 1.045 358 E CA -0.072 56.424 56.400 0.161 0.000 0.833 358 E CB 0.342 30.156 29.700 0.190 0.000 1.077 358 E HN 0.365 nan 8.360 nan 0.000 0.397 359 H N 1.796 120.921 119.070 0.091 0.000 2.771 359 H HA 0.271 4.834 4.556 0.012 0.000 0.361 359 H C -1.636 173.753 175.328 0.102 0.000 1.108 359 H CA -0.650 55.454 56.048 0.093 0.000 1.201 359 H CB 1.061 30.866 29.762 0.070 0.000 1.681 359 H HN 0.403 nan 8.280 nan 0.000 0.534 360 H N 6.155 124.801 119.070 -0.706 0.000 2.667 360 H HA 0.217 4.780 4.556 0.012 0.000 0.353 360 H C -2.350 172.601 175.328 -0.629 0.000 1.072 360 H CA -2.371 53.420 56.048 -0.428 0.000 1.214 360 H CB 2.774 32.450 29.762 -0.143 0.000 1.600 360 H HN 0.550 nan 8.280 nan 0.000 0.527 361 P HA -0.113 nan 4.420 nan 0.000 0.226 361 P C 1.204 178.403 177.300 -0.167 0.000 1.153 361 P CA 0.371 63.319 63.100 -0.253 0.000 0.777 361 P CB 1.022 32.620 31.700 -0.170 0.000 0.794 362 L N -0.743 120.495 121.223 0.026 0.000 2.362 362 L HA 0.090 4.437 4.340 0.012 0.000 0.204 362 L C 1.937 178.603 176.870 -0.340 0.000 1.060 362 L CA 1.507 56.232 54.840 -0.192 0.000 0.827 362 L CB -1.022 40.798 42.059 -0.397 0.000 1.027 362 L HN 0.047 nan 8.230 nan 0.000 0.474 363 H N -0.567 118.511 119.070 0.013 0.000 2.551 363 H HA 0.310 4.873 4.556 0.012 0.000 0.271 363 H C 1.479 176.705 175.328 -0.170 0.000 0.984 363 H CA 0.660 56.596 56.048 -0.187 0.000 1.164 363 H CB 0.451 29.977 29.762 -0.394 0.000 1.437 363 H HN 0.390 nan 8.280 nan 0.000 0.550 364 G N 1.707 110.425 108.800 -0.137 0.000 2.557 364 G HA2 -0.371 3.596 3.960 0.012 0.000 0.292 364 G HA3 -0.371 3.596 3.960 0.012 0.000 0.292 364 G C 0.735 175.561 174.900 -0.123 0.000 1.162 364 G CA 0.418 45.393 45.100 -0.208 0.000 0.964 364 G HN 0.444 nan 8.290 nan 0.000 0.541 365 Q N -0.005 119.747 119.800 -0.080 0.000 2.280 365 Q HA 0.457 4.804 4.340 0.012 0.000 0.201 365 Q C 0.440 176.549 176.000 0.182 0.000 0.890 365 Q CA -0.090 55.714 55.803 0.002 0.000 0.947 365 Q CB 1.093 29.723 28.738 -0.181 0.000 1.081 365 Q HN 0.368 nan 8.270 nan 0.000 0.502 366 V N 2.094 122.080 119.914 0.119 0.000 2.488 366 V HA 0.150 4.277 4.120 0.012 0.000 0.277 366 V C 0.177 176.290 176.094 0.031 0.000 1.046 366 V CA 0.223 62.582 62.300 0.099 0.000 0.986 366 V CB 0.875 32.691 31.823 -0.011 0.000 0.989 366 V HN 0.314 nan 8.190 nan 0.000 0.475 367 M N 4.515 124.123 119.600 0.015 0.000 2.578 367 M HA 0.529 5.016 4.480 0.012 0.000 0.321 367 M C -0.574 175.630 176.300 -0.159 0.000 1.182 367 M CA -0.697 54.565 55.300 -0.064 0.000 0.965 367 M CB 1.816 34.337 32.600 -0.132 0.000 1.694 367 M HN 0.927 nan 8.290 nan 0.000 0.461 368 D N -1.559 118.766 120.400 -0.125 0.000 2.547 368 D HA 0.264 4.911 4.640 0.012 0.000 0.231 368 D C 0.323 176.581 176.300 -0.071 0.000 1.099 368 D CA -0.663 53.267 54.000 -0.116 0.000 0.901 368 D CB 1.434 42.189 40.800 -0.076 0.000 1.478 368 D HN 0.685 nan 8.370 nan 0.000 0.471 369 E N -0.299 119.876 120.200 -0.043 0.000 2.085 369 E HA -0.293 4.064 4.350 0.012 0.000 0.194 369 E C 1.590 178.222 176.600 0.053 0.000 0.994 369 E CA 1.285 57.695 56.400 0.017 0.000 0.801 369 E CB 0.136 29.863 29.700 0.044 0.000 0.743 369 E HN 0.541 nan 8.360 nan 0.000 0.453 370 Q N -0.315 119.517 119.800 0.054 0.000 2.020 370 Q HA -0.152 4.195 4.340 0.012 0.000 0.202 370 Q C 2.224 178.278 176.000 0.091 0.000 0.982 370 Q CA 2.107 57.954 55.803 0.074 0.000 0.838 370 Q CB -0.124 28.660 28.738 0.077 0.000 0.899 370 Q HN 0.335 nan 8.270 nan 0.000 0.423 371 T N 1.131 115.747 114.554 0.104 0.000 2.708 371 T HA -0.163 4.194 4.350 0.012 0.000 0.266 371 T C 1.930 176.706 174.700 0.126 0.000 1.037 371 T CA 1.536 63.715 62.100 0.130 0.000 1.146 371 T CB -0.192 68.778 68.868 0.170 0.000 0.865 371 T HN 0.267 nan 8.240 nan 0.000 0.435 372 M N 0.551 120.223 119.600 0.120 0.000 2.108 372 M HA -0.113 4.374 4.480 0.012 0.000 0.261 372 M C 2.469 178.880 176.300 0.184 0.000 1.066 372 M CA 1.356 56.799 55.300 0.239 0.000 1.107 372 M CB -0.688 32.096 32.600 0.307 0.000 1.356 372 M HN 0.100 nan 8.290 nan 0.000 0.406 373 V N 0.272 120.232 119.914 0.078 0.000 2.343 373 V HA -0.301 3.826 4.120 0.012 0.000 0.247 373 V C 2.353 178.426 176.094 -0.034 0.000 1.051 373 V CA 2.164 64.441 62.300 -0.038 0.000 1.036 373 V CB -0.914 30.916 31.823 0.012 0.000 0.654 373 V HN 0.573 nan 8.190 nan 0.000 0.451 374 Q N -0.306 119.527 119.800 0.056 0.000 2.135 374 Q HA -0.271 4.076 4.340 0.012 0.000 0.204 374 Q C 1.892 177.968 176.000 0.127 0.000 0.981 374 Q CA 2.102 57.959 55.803 0.090 0.000 0.856 374 Q CB -0.122 28.686 28.738 0.117 0.000 0.902 374 Q HN 0.623 nan 8.270 nan 0.000 0.425 375 D N 0.363 120.851 120.400 0.147 0.000 2.097 375 D HA -0.116 4.531 4.640 0.012 0.000 0.197 375 D C 1.921 178.187 176.300 -0.056 0.000 0.984 375 D CA 1.108 55.200 54.000 0.153 0.000 0.826 375 D CB -0.167 40.706 40.800 0.123 0.000 0.973 375 D HN 0.349 nan 8.370 nan 0.000 0.460 376 I N 0.334 120.851 120.570 -0.089 0.000 2.226 376 I HA -0.243 3.934 4.170 0.012 0.000 0.245 376 I C 2.079 178.066 176.117 -0.216 0.000 1.100 376 I CA 0.382 61.524 61.300 -0.264 0.000 1.374 376 I CB -0.017 37.693 38.000 -0.484 0.000 1.057 376 I HN -0.000 nan 8.210 nan 0.000 0.413 377 L N 0.187 121.320 121.223 -0.150 0.000 1.989 377 L HA -0.222 4.125 4.340 0.012 0.000 0.211 377 L C 2.380 179.321 176.870 0.118 0.000 1.071 377 L CA 1.867 56.711 54.840 0.007 0.000 0.749 377 L CB -0.945 41.141 42.059 0.045 0.000 0.890 377 L HN 0.195 nan 8.230 nan 0.000 0.431 378 L N -1.831 119.487 121.223 0.159 0.000 2.083 378 L HA -0.260 4.087 4.340 0.012 0.000 0.209 378 L C 2.505 179.548 176.870 0.288 0.000 1.083 378 L CA 1.197 56.216 54.840 0.298 0.000 0.752 378 L CB -0.212 42.138 42.059 0.486 0.000 0.899 378 L HN 0.310 nan 8.230 nan 0.000 0.433 379 M N -0.841 118.751 119.600 -0.014 0.000 2.086 379 M HA -0.235 4.252 4.480 0.012 0.000 0.261 379 M C 2.222 178.601 176.300 0.131 0.000 1.067 379 M CA 1.813 57.037 55.300 -0.127 0.000 1.116 379 M CB -0.259 32.006 32.600 -0.558 0.000 1.348 379 M HN 0.043 nan 8.290 nan 0.000 0.407 380 K N -0.034 120.360 120.400 -0.010 0.000 2.097 380 K HA -0.161 4.166 4.320 0.012 0.000 0.205 380 K C 1.944 178.562 176.600 0.030 0.000 1.050 380 K CA 1.200 57.401 56.287 -0.144 0.000 0.938 380 K CB -0.180 32.072 32.500 -0.414 0.000 0.718 380 K HN 0.441 nan 8.250 nan 0.000 0.442 381 Q N 0.325 120.293 119.800 0.280 0.000 2.364 381 Q HA -0.040 4.307 4.340 0.012 0.000 0.207 381 Q C 0.742 177.043 176.000 0.502 0.000 0.970 381 Q CA 0.727 56.796 55.803 0.443 0.000 0.888 381 Q CB 0.158 29.128 28.738 0.387 0.000 0.951 381 Q HN 0.259 nan 8.270 nan 0.000 0.469 382 N N 0.481 119.431 118.700 0.416 0.000 2.275 382 N HA 0.061 4.809 4.740 0.012 0.000 0.236 382 N C -0.663 174.969 175.510 0.203 0.000 1.154 382 N CA 0.011 53.301 53.050 0.401 0.000 0.866 382 N CB 0.735 39.538 38.487 0.526 0.000 1.093 382 N HN 0.146 nan 8.380 nan 0.000 0.515 383 N N 0.243 119.065 118.700 0.204 0.000 2.741 383 N HA -0.189 4.558 4.740 0.012 0.000 0.250 383 N C -0.802 174.642 175.510 -0.111 0.000 1.115 383 N CA 0.822 53.940 53.050 0.113 0.000 0.724 383 N CB -1.741 36.750 38.487 0.008 0.000 1.090 383 N HN 0.259 nan 8.380 nan 0.000 0.558 384 F N 1.086 121.062 119.950 0.043 0.000 2.375 384 F HA 0.284 4.818 4.527 0.011 0.000 0.333 384 F C 1.803 177.599 175.800 -0.007 0.000 1.104 384 F CA -0.478 57.529 58.000 0.010 0.000 1.149 384 F CB 0.768 39.747 39.000 -0.035 0.000 1.190 384 F HN 0.059 nan 8.300 nan 0.000 0.533 385 N N 0.551 119.373 118.700 0.203 0.000 2.143 385 N HA 0.443 5.190 4.740 0.012 0.000 0.222 385 N C -0.858 174.714 175.510 0.103 0.000 1.264 385 N CA 0.019 53.119 53.050 0.083 0.000 0.897 385 N CB 0.750 39.332 38.487 0.158 0.000 1.092 385 N HN 0.484 nan 8.380 nan 0.000 0.516 386 A N -0.567 122.386 122.820 0.221 0.000 2.612 386 A HA 0.747 5.074 4.320 0.012 0.000 0.293 386 A C -1.832 175.987 177.584 0.392 0.000 1.075 386 A CA -0.677 51.555 52.037 0.324 0.000 0.680 386 A CB 1.731 20.963 19.000 0.386 0.000 1.279 386 A HN 0.236 nan 8.150 nan 0.000 0.411 387 V N 0.996 121.182 119.914 0.453 0.000 2.888 387 V HA 0.801 4.928 4.120 0.012 0.000 0.309 387 V C -0.636 175.577 176.094 0.198 0.000 1.114 387 V CA -0.690 61.817 62.300 0.345 0.000 0.940 387 V CB 1.899 33.853 31.823 0.220 0.000 1.021 387 V HN 1.136 nan 8.190 nan 0.000 0.426 388 R N 4.816 125.263 120.500 -0.088 0.000 2.393 388 R HA 0.491 4.838 4.340 0.012 0.000 0.310 388 R C -0.715 175.433 176.300 -0.254 0.000 0.968 388 R CA -0.451 55.417 56.100 -0.385 0.000 0.867 388 R CB 1.126 30.976 30.300 -0.750 0.000 1.124 388 R HN 0.808 nan 8.270 nan 0.000 0.450 389 C N 4.484 123.672 119.300 -0.187 0.000 2.896 389 C HA 0.126 4.593 4.460 0.012 0.000 0.499 389 C C 0.432 175.152 174.990 -0.449 0.000 1.022 389 C CA -0.448 58.417 59.018 -0.256 0.000 1.127 389 C CB -2.111 25.602 27.740 -0.044 0.000 1.452 389 C HN 0.722 nan 8.230 nan 0.000 0.580 390 S N 1.403 116.708 115.700 -0.658 0.000 2.481 390 S HA 0.210 4.687 4.470 0.012 0.000 0.276 390 S C -0.164 173.534 174.600 -1.503 0.000 1.247 390 S CA 0.017 57.592 58.200 -1.040 0.000 1.053 390 S CB 0.226 62.731 63.200 -1.159 0.000 0.925 390 S HN 0.719 nan 8.310 nan 0.000 0.491 391 H N 3.751 122.221 119.070 -1.001 0.000 2.379 391 H HA 0.346 4.909 4.556 0.012 0.000 0.229 391 H C -1.140 174.087 175.328 -0.167 0.000 1.423 391 H CA -0.334 55.504 56.048 -0.350 0.000 1.375 391 H CB -0.195 29.561 29.762 -0.010 0.000 1.592 391 H HN 0.888 nan 8.280 nan 0.000 0.507 392 Y N -2.696 117.709 120.300 0.175 0.000 2.765 392 Y HA 0.367 4.924 4.550 0.012 0.000 0.350 392 Y C -3.310 172.697 175.900 0.179 0.000 1.196 392 Y CA -2.969 55.241 58.100 0.184 0.000 1.119 392 Y CB -0.026 38.546 38.460 0.186 0.000 1.368 392 Y HN -0.065 nan 8.280 nan 0.000 0.463 393 P HA 0.173 nan 4.420 nan 0.000 0.269 393 P C -0.644 176.948 177.300 0.486 0.000 1.209 393 P CA 0.111 63.467 63.100 0.426 0.000 0.776 393 P CB 0.595 32.474 31.700 0.299 0.000 0.876 394 N N 0.278 119.275 118.700 0.495 0.000 2.448 394 N HA 0.097 4.844 4.740 0.012 0.000 0.274 394 N C 0.081 175.827 175.510 0.394 0.000 1.239 394 N CA -0.611 52.644 53.050 0.341 0.000 0.982 394 N CB 0.344 38.834 38.487 0.004 0.000 1.199 394 N HN 0.595 nan 8.380 nan 0.000 0.576 395 H N 2.098 121.271 119.070 0.172 0.000 3.001 395 H HA 0.001 4.564 4.556 0.012 0.000 0.334 395 H C -1.618 173.874 175.328 0.274 0.000 1.034 395 H CA -0.766 55.369 56.048 0.145 0.000 1.420 395 H CB 1.037 30.846 29.762 0.080 0.000 1.405 395 H HN 0.436 nan 8.280 nan 0.000 0.593 396 P HA -0.215 nan 4.420 nan 0.000 0.216 396 P C 1.799 179.385 177.300 0.477 0.000 1.150 396 P CA 0.703 64.014 63.100 0.351 0.000 0.843 396 P CB 0.242 32.003 31.700 0.101 0.000 0.787 397 L N -0.920 120.659 121.223 0.592 0.000 2.191 397 L HA -0.054 4.293 4.340 0.012 0.000 0.212 397 L C 2.423 179.469 176.870 0.293 0.000 1.103 397 L CA 1.297 56.379 54.840 0.404 0.000 0.769 397 L CB -1.544 40.721 42.059 0.344 0.000 0.908 397 L HN 0.038 nan 8.230 nan 0.000 0.438 398 W N -0.346 120.995 121.300 0.067 0.000 2.304 398 W HA -0.370 4.296 4.660 0.011 0.000 0.315 398 W C 2.155 178.514 176.519 -0.267 0.000 1.233 398 W CA 2.226 59.461 57.345 -0.182 0.000 1.261 398 W CB -0.466 28.784 29.460 -0.349 0.000 1.150 398 W HN 0.280 nan 8.180 nan 0.000 0.494 399 Y N 0.684 120.905 120.300 -0.131 0.000 2.181 399 Y HA -0.220 4.337 4.550 0.011 0.000 0.288 399 Y C 2.863 178.548 175.900 -0.360 0.000 1.146 399 Y CA 2.166 59.978 58.100 -0.481 0.000 1.164 399 Y CB -1.353 36.472 38.460 -1.059 0.000 0.982 399 Y HN -0.208 nan 8.280 nan 0.000 0.515 400 T N 0.755 115.330 114.554 0.035 0.000 2.720 400 T HA -0.173 4.184 4.350 0.012 0.000 0.268 400 T C 2.011 176.756 174.700 0.076 0.000 1.037 400 T CA 1.467 63.658 62.100 0.152 0.000 1.144 400 T CB -0.572 68.429 68.868 0.221 0.000 0.864 400 T HN 0.232 nan 8.240 nan 0.000 0.444 401 L N 0.315 121.539 121.223 0.002 0.000 2.046 401 L HA -0.103 4.244 4.340 0.012 0.000 0.208 401 L C 2.861 179.708 176.870 -0.039 0.000 1.077 401 L CA 0.984 55.842 54.840 0.030 0.000 0.747 401 L CB -0.662 41.365 42.059 -0.053 0.000 0.896 401 L HN 0.367 nan 8.230 nan 0.000 0.432 402 C N -0.347 118.761 119.300 -0.320 0.000 2.435 402 C HA -0.124 4.343 4.460 0.012 0.000 0.279 402 C C 2.356 177.391 174.990 0.074 0.000 1.321 402 C CA 0.292 59.161 59.018 -0.248 0.000 1.752 402 C CB -0.831 26.652 27.740 -0.428 0.000 1.959 402 C HN 0.531 nan 8.230 nan 0.000 0.500 403 D N 0.565 121.020 120.400 0.091 0.000 2.117 403 D HA -0.083 4.564 4.640 0.012 0.000 0.198 403 D C 2.412 178.927 176.300 0.359 0.000 0.982 403 D CA 1.145 55.281 54.000 0.227 0.000 0.828 403 D CB -0.297 40.589 40.800 0.144 0.000 0.967 403 D HN 0.518 nan 8.370 nan 0.000 0.464 404 R N -1.030 119.577 120.500 0.178 0.000 2.100 404 R HA 0.023 4.370 4.340 0.012 0.000 0.220 404 R C 1.943 178.213 176.300 -0.049 0.000 1.091 404 R CA 0.543 56.682 56.100 0.065 0.000 0.986 404 R CB -0.103 30.165 30.300 -0.053 0.000 0.888 404 R HN 0.272 nan 8.270 nan 0.000 0.444 405 Y N -0.111 120.200 120.300 0.018 0.000 2.490 405 Y HA 0.198 4.755 4.550 0.011 0.000 0.285 405 Y C 0.962 176.787 175.900 -0.125 0.000 1.117 405 Y CA 0.687 58.767 58.100 -0.033 0.000 1.262 405 Y CB 0.758 39.172 38.460 -0.076 0.000 1.043 405 Y HN 0.215 nan 8.280 nan 0.000 0.553 406 G N 1.285 110.115 108.800 0.049 0.000 2.830 406 G HA2 -0.160 3.807 3.960 0.012 0.000 0.298 406 G HA3 -0.160 3.807 3.960 0.012 0.000 0.298 406 G C -1.147 173.592 174.900 -0.267 0.000 1.031 406 G CA -0.509 44.484 45.100 -0.178 0.000 1.179 406 G HN 0.175 nan 8.290 nan 0.000 0.527 407 L N 0.901 122.039 121.223 -0.142 0.000 2.445 407 L HA 0.516 4.863 4.340 0.012 0.000 0.262 407 L C -0.023 176.848 176.870 0.003 0.000 0.974 407 L CA -1.308 53.416 54.840 -0.194 0.000 0.822 407 L CB 2.013 43.981 42.059 -0.151 0.000 1.339 407 L HN 0.448 nan 8.230 nan 0.000 0.409 408 Y N 1.606 122.038 120.300 0.219 0.000 2.319 408 Y HA 0.427 4.985 4.550 0.013 0.000 0.328 408 Y C 0.153 176.186 175.900 0.220 0.000 1.133 408 Y CA -0.715 57.552 58.100 0.278 0.000 1.265 408 Y CB 1.438 40.038 38.460 0.234 0.000 1.218 408 Y HN 0.149 nan 8.280 nan 0.000 0.508 409 V N 4.088 124.196 119.914 0.325 0.000 2.604 409 V HA 0.326 4.453 4.120 0.012 0.000 0.305 409 V C -0.637 175.542 176.094 0.143 0.000 1.043 409 V CA -1.013 61.417 62.300 0.217 0.000 0.888 409 V CB 1.939 33.854 31.823 0.153 0.000 0.995 409 V HN 0.448 nan 8.190 nan 0.000 0.429 410 V N 3.088 123.052 119.914 0.084 0.000 2.333 410 V HA 0.337 4.464 4.120 0.012 0.000 0.274 410 V C -0.339 175.789 176.094 0.058 0.000 1.028 410 V CA -0.360 61.941 62.300 0.002 0.000 0.851 410 V CB 1.453 33.175 31.823 -0.169 0.000 1.000 410 V HN 0.870 nan 8.190 nan 0.000 0.456 411 D N 4.251 124.727 120.400 0.127 0.000 2.280 411 D HA 0.297 4.944 4.640 0.012 0.000 0.243 411 D C -0.215 176.278 176.300 0.322 0.000 1.129 411 D CA -0.043 54.130 54.000 0.288 0.000 0.848 411 D CB 1.257 42.272 40.800 0.358 0.000 1.107 411 D HN 0.682 nan 8.370 nan 0.000 0.471 412 E N 1.835 122.190 120.200 0.259 0.000 2.187 412 E HA 0.618 4.975 4.350 0.012 0.000 0.268 412 E C -0.959 175.786 176.600 0.242 0.000 0.896 412 E CA -1.050 55.490 56.400 0.233 0.000 0.766 412 E CB 1.360 31.151 29.700 0.153 0.000 1.142 412 E HN 0.459 nan 8.360 nan 0.000 0.408 413 A N 3.828 126.782 122.820 0.223 0.000 2.483 413 A HA 0.049 4.376 4.320 0.012 0.000 0.238 413 A C 0.328 178.042 177.584 0.217 0.000 1.070 413 A CA -0.217 51.931 52.037 0.185 0.000 0.770 413 A CB 0.139 19.212 19.000 0.121 0.000 1.008 413 A HN 0.693 nan 8.150 nan 0.000 0.497 414 N N 1.305 120.139 118.700 0.223 0.000 2.971 414 N HA 0.253 5.000 4.740 0.012 0.000 0.294 414 N C -1.044 174.598 175.510 0.220 0.000 1.210 414 N CA 0.218 53.433 53.050 0.274 0.000 1.157 414 N CB -0.871 37.774 38.487 0.263 0.000 1.450 414 N HN 0.478 nan 8.380 nan 0.000 0.527 415 I N 0.867 121.562 120.570 0.209 0.000 2.497 415 I HA 0.270 4.447 4.170 0.012 0.000 0.284 415 I C -0.573 175.650 176.117 0.178 0.000 1.060 415 I CA -0.600 60.806 61.300 0.176 0.000 1.071 415 I CB 1.778 39.854 38.000 0.128 0.000 1.216 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.288 124.590 120.200 0.169 0.000 2.294 416 E HA 0.383 4.740 4.350 0.012 0.000 0.272 416 E C -0.588 176.084 176.600 0.121 0.000 0.896 416 E CA -0.461 56.011 56.400 0.120 0.000 0.802 416 E CB 1.573 31.327 29.700 0.090 0.000 1.267 416 E HN 0.604 nan 8.360 nan 0.000 0.406 417 T N 0.612 115.227 114.554 0.103 0.000 3.448 417 T HA 0.158 4.515 4.350 0.012 0.000 0.271 417 T C 0.866 175.614 174.700 0.081 0.000 1.002 417 T CA -0.354 61.835 62.100 0.148 0.000 0.995 417 T CB -0.267 68.671 68.868 0.115 0.000 1.153 417 T HN 0.659 nan 8.240 nan 0.000 0.510 418 H N 1.153 120.135 119.070 -0.146 0.000 2.390 418 H HA -0.052 4.511 4.556 0.012 0.000 0.298 418 H C 2.301 177.501 175.328 -0.213 0.000 1.106 418 H CA 1.314 57.250 56.048 -0.186 0.000 1.297 418 H CB -0.185 29.430 29.762 -0.244 0.000 1.375 418 H HN 0.583 nan 8.280 nan 0.000 0.509 419 G N 0.212 108.861 108.800 -0.252 0.000 2.679 419 G HA2 -0.053 3.914 3.960 0.012 0.000 0.212 419 G HA3 -0.053 3.914 3.960 0.012 0.000 0.212 419 G C 0.517 175.508 174.900 0.151 0.000 1.137 419 G CA -0.123 44.850 45.100 -0.211 0.000 0.787 419 G HN 0.152 nan 8.290 nan 0.000 0.534 420 M N 0.275 120.013 119.600 0.230 0.000 2.198 420 M HA 0.338 4.825 4.480 0.012 0.000 0.315 420 M C -0.367 175.970 176.300 0.062 0.000 1.134 420 M CA -0.303 55.096 55.300 0.165 0.000 1.171 420 M CB 1.410 34.063 32.600 0.089 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.587 123.518 119.914 0.028 0.000 2.482 421 V HA 0.361 4.488 4.120 0.012 0.000 0.295 421 V C -1.976 174.114 176.094 -0.007 0.000 1.026 421 V CA -1.310 60.992 62.300 0.003 0.000 0.856 421 V CB 1.800 33.620 31.823 -0.006 0.000 1.001 421 V HN 0.731 nan 8.190 nan 0.000 0.424 422 P HA 0.235 nan 4.420 nan 0.000 0.275 422 P C 0.959 178.264 177.300 0.008 0.000 1.270 422 P CA -0.476 62.623 63.100 -0.002 0.000 0.791 422 P CB 1.014 32.714 31.700 0.000 0.000 1.089 423 M N 0.601 120.211 119.600 0.016 0.000 2.279 423 M HA -0.159 4.328 4.480 0.012 0.000 0.264 423 M C 1.201 177.525 176.300 0.041 0.000 1.062 423 M CA 1.687 57.005 55.300 0.031 0.000 1.099 423 M CB -0.449 32.158 32.600 0.012 0.000 1.394 423 M HN 0.353 nan 8.290 nan 0.000 0.426 424 N N -0.114 118.612 118.700 0.043 0.000 2.314 424 N HA -0.088 4.659 4.740 0.012 0.000 0.200 424 N C 1.166 176.665 175.510 -0.018 0.000 1.135 424 N CA 0.218 53.297 53.050 0.048 0.000 0.835 424 N CB -0.747 37.787 38.487 0.079 0.000 0.989 424 N HN 0.366 nan 8.380 nan 0.000 0.478 425 R N 0.435 120.910 120.500 -0.041 0.000 2.105 425 R HA -0.000 4.347 4.340 0.012 0.000 0.239 425 R C 1.429 177.638 176.300 -0.151 0.000 1.135 425 R CA 1.277 57.330 56.100 -0.079 0.000 0.967 425 R CB -0.045 30.204 30.300 -0.085 0.000 0.861 425 R HN 0.292 nan 8.270 nan 0.000 0.442 426 L N -0.672 120.405 121.223 -0.245 0.000 2.168 426 L HA -0.003 4.344 4.340 0.012 0.000 0.203 426 L C 2.501 179.239 176.870 -0.220 0.000 1.078 426 L CA 1.335 55.910 54.840 -0.441 0.000 0.780 426 L CB -0.653 40.897 42.059 -0.847 0.000 0.939 426 L HN 0.339 nan 8.230 nan 0.000 0.451 427 T N -4.165 110.293 114.554 -0.160 0.000 3.007 427 T HA -0.167 4.190 4.350 0.012 0.000 0.270 427 T C 1.278 175.889 174.700 -0.149 0.000 1.107 427 T CA 1.246 63.232 62.100 -0.190 0.000 1.118 427 T CB -0.249 68.456 68.868 -0.271 0.000 0.889 427 T HN 0.124 nan 8.240 nan 0.000 0.506 428 D N 1.097 121.448 120.400 -0.082 0.000 2.339 428 D HA 0.090 4.737 4.640 0.012 0.000 0.217 428 D C -0.158 176.123 176.300 -0.032 0.000 1.050 428 D CA -0.139 53.824 54.000 -0.063 0.000 0.856 428 D CB -0.084 40.688 40.800 -0.046 0.000 0.922 428 D HN 0.329 nan 8.370 nan 0.000 0.518 429 D N -0.171 120.227 120.400 -0.005 0.000 2.317 429 D HA 0.111 4.758 4.640 0.012 0.000 0.234 429 D C -1.623 174.726 176.300 0.081 0.000 1.112 429 D CA -2.243 51.791 54.000 0.057 0.000 0.840 429 D CB 1.949 42.824 40.800 0.124 0.000 1.078 429 D HN -0.027 nan 8.370 nan 0.000 0.486 430 P HA -0.127 nan 4.420 nan 0.000 0.221 430 P C 0.914 178.219 177.300 0.007 0.000 1.145 430 P CA 0.782 63.890 63.100 0.013 0.000 0.795 430 P CB 0.322 32.019 31.700 -0.005 0.000 0.775 431 R N -1.876 118.641 120.500 0.027 0.000 2.235 431 R HA -0.054 4.293 4.340 0.012 0.000 0.213 431 R C 1.371 177.556 176.300 -0.192 0.000 1.059 431 R CA 0.998 57.051 56.100 -0.078 0.000 0.997 431 R CB -0.482 29.767 30.300 -0.085 0.000 0.884 431 R HN 0.322 nan 8.270 nan 0.000 0.462 432 W N -0.121 121.125 121.300 -0.090 0.000 3.132 432 W HA 0.160 4.827 4.660 0.011 0.000 0.364 432 W C 1.336 177.797 176.519 -0.096 0.000 1.129 432 W CA -0.555 56.737 57.345 -0.089 0.000 1.815 432 W CB 0.194 29.600 29.460 -0.091 0.000 1.099 432 W HN -0.004 nan 8.180 nan 0.000 0.605 433 L N 2.173 123.423 121.223 0.046 0.000 2.046 433 L HA -0.004 4.343 4.340 0.012 0.000 0.208 433 L C -0.711 176.126 176.870 -0.055 0.000 1.077 433 L CA 2.149 56.980 54.840 -0.016 0.000 0.747 433 L CB -1.565 40.472 42.059 -0.035 0.000 0.896 433 L HN -0.237 nan 8.230 nan 0.000 0.432 434 P HA -0.152 nan 4.420 nan 0.000 0.215 434 P C 1.597 178.842 177.300 -0.091 0.000 1.157 434 P CA 2.160 65.198 63.100 -0.104 0.000 0.868 434 P CB -0.212 31.414 31.700 -0.123 0.000 0.788 435 A N -1.111 121.669 122.820 -0.068 0.000 1.898 435 A HA -0.170 4.157 4.320 0.012 0.000 0.216 435 A C 2.233 179.833 177.584 0.027 0.000 1.181 435 A CA 1.845 53.877 52.037 -0.008 0.000 0.620 435 A CB -1.420 17.602 19.000 0.036 0.000 0.819 435 A HN 0.102 nan 8.150 nan 0.000 0.442 436 M N 0.256 119.878 119.600 0.037 0.000 2.132 436 M HA -0.139 4.348 4.480 0.012 0.000 0.263 436 M C 2.555 178.802 176.300 -0.088 0.000 1.065 436 M CA 1.661 56.958 55.300 -0.004 0.000 1.122 436 M CB -0.391 32.188 32.600 -0.035 0.000 1.365 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.472 116.093 115.700 -0.133 0.000 2.374 437 S HA -0.216 4.261 4.470 0.012 0.000 0.227 437 S C 1.671 176.106 174.600 -0.275 0.000 1.037 437 S CA 1.565 59.620 58.200 -0.242 0.000 1.024 437 S CB -0.705 62.331 63.200 -0.274 0.000 0.861 437 S HN 0.501 nan 8.310 nan 0.000 0.456 438 E N 1.119 121.207 120.200 -0.186 0.000 2.118 438 E HA -0.135 4.222 4.350 0.012 0.000 0.195 438 E C 2.435 178.953 176.600 -0.136 0.000 0.992 438 E CA 1.100 57.401 56.400 -0.166 0.000 0.804 438 E CB -0.169 29.469 29.700 -0.103 0.000 0.741 438 E HN 0.612 nan 8.360 nan 0.000 0.458 439 R N 0.052 120.500 120.500 -0.086 0.000 2.115 439 R HA -0.067 4.280 4.340 0.012 0.000 0.230 439 R C 2.372 178.632 176.300 -0.068 0.000 1.111 439 R CA 0.721 56.800 56.100 -0.036 0.000 0.976 439 R CB -0.016 30.302 30.300 0.029 0.000 0.870 439 R HN 0.007 nan 8.270 nan 0.000 0.445 440 V N 0.313 120.144 119.914 -0.139 0.000 2.331 440 V HA -0.194 3.933 4.120 0.012 0.000 0.242 440 V C 2.529 178.450 176.094 -0.288 0.000 1.034 440 V CA 2.180 64.377 62.300 -0.171 0.000 1.027 440 V CB -0.434 31.281 31.823 -0.180 0.000 0.667 440 V HN 0.530 nan 8.190 nan 0.000 0.457 441 T N -0.722 113.533 114.554 -0.498 0.000 2.746 441 T HA -0.240 4.117 4.350 0.012 0.000 0.267 441 T C 1.944 176.479 174.700 -0.274 0.000 1.039 441 T CA 1.422 63.131 62.100 -0.651 0.000 1.142 441 T CB -0.413 67.852 68.868 -1.004 0.000 0.866 441 T HN 0.403 nan 8.240 nan 0.000 0.444 442 R N 0.206 120.571 120.500 -0.225 0.000 2.148 442 R HA 0.206 4.553 4.340 0.012 0.000 0.227 442 R C 2.629 178.850 176.300 -0.131 0.000 1.103 442 R CA 1.362 57.370 56.100 -0.155 0.000 0.983 442 R CB -0.433 29.785 30.300 -0.136 0.000 0.874 442 R HN 0.497 nan 8.270 nan 0.000 0.451 443 M N 0.460 119.991 119.600 -0.117 0.000 2.156 443 M HA -0.113 4.374 4.480 0.012 0.000 0.264 443 M C 1.807 178.027 176.300 -0.134 0.000 1.067 443 M CA 1.534 56.795 55.300 -0.066 0.000 1.131 443 M CB 0.173 32.777 32.600 0.007 0.000 1.368 443 M HN -0.035 nan 8.290 nan 0.000 0.416 444 V N 1.074 120.803 119.914 -0.309 0.000 2.343 444 V HA -0.279 3.848 4.120 0.012 0.000 0.247 444 V C 2.268 178.243 176.094 -0.198 0.000 1.051 444 V CA 1.950 63.938 62.300 -0.521 0.000 1.036 444 V CB -0.920 30.578 31.823 -0.541 0.000 0.654 444 V HN 0.582 nan 8.190 nan 0.000 0.451 445 Q N -0.580 119.144 119.800 -0.125 0.000 2.181 445 Q HA -0.248 4.099 4.340 0.012 0.000 0.205 445 Q C 2.456 178.364 176.000 -0.154 0.000 0.980 445 Q CA 1.673 57.409 55.803 -0.112 0.000 0.862 445 Q CB -0.194 28.500 28.738 -0.073 0.000 0.905 445 Q HN 0.543 nan 8.270 nan 0.000 0.429 446 R N 0.161 120.568 120.500 -0.156 0.000 2.112 446 R HA -0.075 4.272 4.340 0.012 0.000 0.216 446 R C 0.393 176.615 176.300 -0.131 0.000 1.080 446 R CA 1.159 57.144 56.100 -0.191 0.000 0.996 446 R CB 0.493 30.679 30.300 -0.189 0.000 0.902 446 R HN 0.121 nan 8.270 nan 0.000 0.449 447 D N -0.187 120.202 120.400 -0.018 0.000 2.433 447 D HA 0.007 4.654 4.640 0.012 0.000 0.211 447 D C 1.316 177.722 176.300 0.176 0.000 1.114 447 D CA 0.039 54.080 54.000 0.068 0.000 0.837 447 D CB 0.308 41.087 40.800 -0.034 0.000 0.984 447 D HN 0.336 nan 8.370 nan 0.000 0.505 448 R N 0.675 121.290 120.500 0.191 0.000 2.200 448 R HA -0.031 4.316 4.340 0.012 0.000 0.234 448 R C 0.722 177.014 176.300 -0.013 0.000 1.127 448 R CA 0.991 57.212 56.100 0.201 0.000 0.989 448 R CB -0.269 30.081 30.300 0.084 0.000 0.869 448 R HN -0.086 nan 8.270 nan 0.000 0.459 449 N N 0.221 118.833 118.700 -0.147 0.000 2.336 449 N HA 0.006 4.753 4.740 0.012 0.000 0.189 449 N C -0.536 174.842 175.510 -0.220 0.000 1.113 449 N CA 0.221 53.160 53.050 -0.184 0.000 0.858 449 N CB 0.092 38.434 38.487 -0.242 0.000 0.970 449 N HN 0.279 nan 8.380 nan 0.000 0.471 450 H N 1.436 120.438 119.070 -0.114 0.000 2.742 450 H HA 0.093 4.656 4.556 0.011 0.000 0.302 450 H C -1.169 174.004 175.328 -0.258 0.000 1.069 450 H CA -1.263 54.702 56.048 -0.138 0.000 1.446 450 H CB 1.396 31.105 29.762 -0.088 0.000 1.462 450 H HN 0.066 nan 8.280 nan 0.000 0.499 451 P HA -0.171 nan 4.420 nan 0.000 0.218 451 P C 1.447 178.248 177.300 -0.831 0.000 1.148 451 P CA 1.279 63.990 63.100 -0.648 0.000 0.822 451 P CB 0.278 31.315 31.700 -1.106 0.000 0.784 452 S N -0.720 114.622 115.700 -0.596 0.000 2.399 452 S HA -0.054 4.423 4.470 0.012 0.000 0.231 452 S C 1.140 175.706 174.600 -0.056 0.000 1.022 452 S CA 0.452 58.485 58.200 -0.277 0.000 0.983 452 S CB -1.536 61.654 63.200 -0.016 0.000 0.803 452 S HN -0.054 nan 8.310 nan 0.000 0.480 453 V N 3.669 123.523 119.914 -0.099 0.000 2.446 453 V HA 0.216 4.343 4.120 0.012 0.000 0.276 453 V C 1.151 177.105 176.094 -0.232 0.000 1.030 453 V CA 0.073 62.283 62.300 -0.151 0.000 1.033 453 V CB 0.383 32.027 31.823 -0.298 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.697 123.187 120.570 -0.134 0.000 4.139 454 I HA 0.500 4.677 4.170 0.012 0.000 0.320 454 I C 0.397 176.397 176.117 -0.194 0.000 1.290 454 I CA 0.557 61.785 61.300 -0.120 0.000 1.253 454 I CB 0.500 38.516 38.000 0.026 0.000 1.122 454 I HN 0.324 nan 8.210 nan 0.000 0.421 455 I N 0.200 120.635 120.570 -0.224 0.000 2.656 455 I HA 0.354 4.531 4.170 0.012 0.000 0.292 455 I C -1.544 174.469 176.117 -0.173 0.000 1.144 455 I CA -0.391 60.815 61.300 -0.157 0.000 1.038 455 I CB 2.015 40.021 38.000 0.009 0.000 1.244 455 I HN 0.024 nan 8.210 nan 0.000 0.420 456 W N 4.132 125.481 121.300 0.082 0.000 2.438 456 W HA 0.632 5.297 4.660 0.010 0.000 0.324 456 W C 0.446 177.033 176.519 0.112 0.000 1.119 456 W CA -0.563 56.837 57.345 0.092 0.000 1.221 456 W CB 1.634 31.143 29.460 0.082 0.000 1.253 456 W HN 0.332 nan 8.180 nan 0.000 0.555 457 S N 2.675 118.608 115.700 0.388 0.000 2.513 457 S HA 0.427 4.904 4.470 0.012 0.000 0.299 457 S C 0.128 174.903 174.600 0.292 0.000 1.087 457 S CA -0.738 57.642 58.200 0.300 0.000 1.012 457 S CB 0.911 64.241 63.200 0.216 0.000 1.044 457 S HN 0.573 nan 8.310 nan 0.000 0.485 458 L N 3.820 125.217 121.223 0.290 0.000 2.627 458 L HA 0.359 4.706 4.340 0.012 0.000 0.233 458 L C 1.392 178.350 176.870 0.146 0.000 1.144 458 L CA 0.475 55.407 54.840 0.154 0.000 0.892 458 L CB -1.232 40.818 42.059 -0.015 0.000 1.039 458 L HN 1.022 nan 8.230 nan 0.000 0.442 459 G N 0.251 109.215 108.800 0.274 0.000 2.297 459 G HA2 -0.156 3.811 3.960 0.012 0.000 0.209 459 G HA3 -0.156 3.811 3.960 0.012 0.000 0.209 459 G C -1.493 173.600 174.900 0.321 0.000 1.267 459 G CA -0.455 44.805 45.100 0.267 0.000 1.127 459 G HN 0.230 nan 8.290 nan 0.000 0.498 460 N N -0.013 118.811 118.700 0.207 0.000 2.405 460 N HA 0.473 5.220 4.740 0.012 0.000 0.274 460 N C -0.443 175.020 175.510 -0.079 0.000 1.170 460 N CA 0.181 53.215 53.050 -0.026 0.000 0.848 460 N CB 1.553 39.755 38.487 -0.475 0.000 1.629 460 N HN 0.941 nan 8.380 nan 0.000 0.481 461 E N 0.564 120.630 120.200 -0.225 0.000 2.160 461 E HA -0.175 4.182 4.350 0.012 0.000 0.180 461 E C -0.828 175.692 176.600 -0.133 0.000 1.452 461 E CA 0.799 56.992 56.400 -0.345 0.000 0.683 461 E CB -1.302 27.971 29.700 -0.713 0.000 1.072 461 E HN 0.444 nan 8.360 nan 0.000 0.332 462 S N -0.010 115.750 115.700 0.100 0.000 2.843 462 S HA 0.399 4.876 4.470 0.012 0.000 0.249 462 S C 0.661 175.429 174.600 0.280 0.000 1.047 462 S CA -0.153 58.172 58.200 0.208 0.000 1.042 462 S CB 1.380 64.762 63.200 0.303 0.000 0.936 462 S HN 0.835 nan 8.310 nan 0.000 0.531 463 G N 2.016 110.912 108.800 0.159 0.000 2.601 463 G HA2 -0.271 3.696 3.960 0.012 0.000 0.261 463 G HA3 -0.271 3.696 3.960 0.012 0.000 0.261 463 G C -0.492 174.602 174.900 0.324 0.000 1.289 463 G CA -0.109 45.089 45.100 0.162 0.000 0.920 463 G HN 0.649 nan 8.290 nan 0.000 0.571 464 H N 0.433 119.619 119.070 0.194 0.000 2.800 464 H HA 0.571 5.134 4.556 0.011 0.000 0.322 464 H C 0.355 175.860 175.328 0.295 0.000 0.979 464 H CA -0.131 56.074 56.048 0.262 0.000 1.277 464 H CB 0.638 30.488 29.762 0.147 0.000 1.484 464 H HN 1.009 nan 8.280 nan 0.000 0.512 465 G N 1.562 110.511 108.800 0.250 0.000 2.511 465 G HA2 0.445 4.412 3.960 0.012 0.000 0.318 465 G HA3 0.445 4.412 3.960 0.012 0.000 0.318 465 G C 0.608 175.382 174.900 -0.210 0.000 1.210 465 G CA -0.160 44.888 45.100 -0.086 0.000 0.969 465 G HN 0.688 nan 8.290 nan 0.000 0.484 466 A N 0.438 123.158 122.820 -0.166 0.000 2.070 466 A HA -0.088 4.239 4.320 0.012 0.000 0.220 466 A C 2.098 179.646 177.584 -0.060 0.000 1.159 466 A CA 1.705 53.678 52.037 -0.107 0.000 0.656 466 A CB -0.371 18.592 19.000 -0.062 0.000 0.800 466 A HN 0.530 nan 8.150 nan 0.000 0.453 467 N N -0.267 118.364 118.700 -0.115 0.000 2.223 467 N HA -0.133 4.614 4.740 0.012 0.000 0.185 467 N C 1.343 176.778 175.510 -0.126 0.000 1.016 467 N CA 1.601 54.574 53.050 -0.130 0.000 0.863 467 N CB -0.615 37.757 38.487 -0.191 0.000 0.983 467 N HN 0.783 nan 8.380 nan 0.000 0.429 468 H N 0.260 119.308 119.070 -0.037 0.000 2.389 468 H HA -0.004 4.559 4.556 0.011 0.000 0.299 468 H C 1.252 176.643 175.328 0.106 0.000 1.081 468 H CA 1.113 57.151 56.048 -0.018 0.000 1.345 468 H CB 0.202 29.966 29.762 0.002 0.000 1.393 468 H HN 0.168 nan 8.280 nan 0.000 0.520 469 D N 0.414 120.957 120.400 0.238 0.000 2.097 469 D HA -0.137 4.510 4.640 0.012 0.000 0.195 469 D C 2.311 178.753 176.300 0.237 0.000 0.989 469 D CA 1.238 55.382 54.000 0.240 0.000 0.827 469 D CB -0.379 40.520 40.800 0.165 0.000 0.966 469 D HN 0.426 nan 8.370 nan 0.000 0.456 470 A N 0.798 123.708 122.820 0.150 0.000 1.902 470 A HA -0.115 4.212 4.320 0.012 0.000 0.217 470 A C 2.437 180.128 177.584 0.178 0.000 1.181 470 A CA 0.902 53.021 52.037 0.138 0.000 0.623 470 A CB -0.751 18.288 19.000 0.065 0.000 0.818 470 A HN 0.195 nan 8.150 nan 0.000 0.443 471 L N -2.066 119.246 121.223 0.149 0.000 2.093 471 L HA -0.168 4.179 4.340 0.012 0.000 0.208 471 L C 2.576 179.589 176.870 0.238 0.000 1.085 471 L CA 1.631 56.565 54.840 0.156 0.000 0.755 471 L CB -0.699 41.383 42.059 0.040 0.000 0.904 471 L HN 0.617 nan 8.230 nan 0.000 0.435 472 Y N 1.334 121.720 120.300 0.143 0.000 2.081 472 Y HA -0.360 4.196 4.550 0.009 0.000 0.280 472 Y C 2.835 178.816 175.900 0.135 0.000 1.163 472 Y CA 1.998 60.185 58.100 0.144 0.000 1.135 472 Y CB -0.201 38.347 38.460 0.146 0.000 0.970 472 Y HN -0.026 nan 8.280 nan 0.000 0.498 473 R N -0.235 120.372 120.500 0.179 0.000 2.096 473 R HA -0.203 4.144 4.340 0.012 0.000 0.235 473 R C 2.070 178.371 176.300 0.002 0.000 1.127 473 R CA 1.920 58.054 56.100 0.057 0.000 0.968 473 R CB -1.402 29.005 30.300 0.179 0.000 0.861 473 R HN 0.655 nan 8.270 nan 0.000 0.440 474 W N 0.452 121.709 121.300 -0.072 0.000 2.335 474 W HA -0.135 4.533 4.660 0.013 0.000 0.311 474 W C 1.589 178.016 176.519 -0.153 0.000 1.213 474 W CA 1.904 59.193 57.345 -0.094 0.000 1.274 474 W CB -0.216 29.194 29.460 -0.083 0.000 1.148 474 W HN 0.073 nan 8.180 nan 0.000 0.498 475 I N 0.827 121.375 120.570 -0.037 0.000 2.179 475 I HA -0.341 3.836 4.170 0.012 0.000 0.242 475 I C 2.434 178.329 176.117 -0.369 0.000 1.088 475 I CA 1.376 62.499 61.300 -0.296 0.000 1.357 475 I CB -0.762 37.146 38.000 -0.153 0.000 1.051 475 I HN -0.117 nan 8.210 nan 0.000 0.409 476 K N 0.737 120.937 120.400 -0.332 0.000 2.160 476 K HA -0.125 4.202 4.320 0.012 0.000 0.206 476 K C 2.209 178.663 176.600 -0.243 0.000 1.047 476 K CA 1.348 57.464 56.287 -0.284 0.000 0.930 476 K CB -0.430 31.860 32.500 -0.349 0.000 0.720 476 K HN 0.295 nan 8.250 nan 0.000 0.450 477 S N 0.822 116.341 115.700 -0.301 0.000 2.362 477 S HA -0.084 4.393 4.470 0.012 0.000 0.221 477 S C 2.163 176.546 174.600 -0.362 0.000 1.032 477 S CA 1.203 59.233 58.200 -0.284 0.000 0.973 477 S CB -0.237 62.804 63.200 -0.265 0.000 0.849 477 S HN 0.301 nan 8.310 nan 0.000 0.465 478 V N 0.002 119.551 119.914 -0.608 0.000 2.871 478 V HA 0.150 4.277 4.120 0.012 0.000 0.256 478 V C 0.223 176.082 176.094 -0.392 0.000 1.082 478 V CA 1.371 63.310 62.300 -0.601 0.000 1.105 478 V CB -0.298 30.929 31.823 -0.992 0.000 0.713 478 V HN 0.307 nan 8.190 nan 0.000 0.473 479 D N 0.272 120.487 120.400 -0.309 0.000 2.364 479 D HA 0.401 5.048 4.640 0.012 0.000 0.251 479 D C -2.320 173.955 176.300 -0.042 0.000 1.282 479 D CA -1.789 52.137 54.000 -0.122 0.000 0.927 479 D CB 1.724 42.534 40.800 0.016 0.000 1.267 479 D HN 0.164 nan 8.370 nan 0.000 0.531 480 P HA -0.010 nan 4.420 nan 0.000 0.237 480 P C 1.157 178.470 177.300 0.022 0.000 1.178 480 P CA 0.415 63.501 63.100 -0.023 0.000 0.766 480 P CB 0.160 31.842 31.700 -0.031 0.000 0.876 481 S N -1.280 114.442 115.700 0.037 0.000 2.555 481 S HA 0.040 4.517 4.470 0.012 0.000 0.230 481 S C 0.840 175.463 174.600 0.039 0.000 0.978 481 S CA 0.042 58.268 58.200 0.044 0.000 0.934 481 S CB -0.427 62.792 63.200 0.031 0.000 0.766 481 S HN 0.063 nan 8.310 nan 0.000 0.533 482 R N 0.885 121.420 120.500 0.058 0.000 2.621 482 R HA 0.533 4.880 4.340 0.012 0.000 0.284 482 R C -3.220 173.125 176.300 0.074 0.000 0.998 482 R CA -2.124 53.978 56.100 0.004 0.000 0.895 482 R CB 1.629 31.820 30.300 -0.181 0.000 1.195 482 R HN 0.139 nan 8.270 nan 0.000 0.450 483 P HA 0.123 nan 4.420 nan 0.000 0.272 483 P C -0.891 176.512 177.300 0.172 0.000 1.240 483 P CA -0.433 62.730 63.100 0.106 0.000 0.791 483 P CB 0.685 32.434 31.700 0.082 0.000 0.978 484 V N 1.536 121.583 119.914 0.222 0.000 2.540 484 V HA 0.413 4.540 4.120 0.012 0.000 0.302 484 V C 0.112 176.392 176.094 0.311 0.000 1.035 484 V CA -0.349 62.132 62.300 0.302 0.000 0.873 484 V CB 1.250 33.241 31.823 0.280 0.000 0.992 484 V HN 0.608 nan 8.190 nan 0.000 0.428 485 Q N 3.651 123.612 119.800 0.269 0.000 2.458 485 Q HA 0.838 5.185 4.340 0.012 0.000 0.282 485 Q C -1.794 174.366 176.000 0.267 0.000 1.106 485 Q CA -0.937 54.989 55.803 0.205 0.000 0.814 485 Q CB 3.008 31.815 28.738 0.114 0.000 1.425 485 Q HN 0.638 nan 8.270 nan 0.000 0.437 486 Y N -0.108 120.200 120.300 0.015 0.000 2.393 486 Y HA 0.130 4.687 4.550 0.011 0.000 0.320 486 Y C -0.733 175.109 175.900 -0.097 0.000 1.241 486 Y CA -0.772 57.308 58.100 -0.034 0.000 1.122 486 Y CB 1.856 40.287 38.460 -0.049 0.000 1.322 486 Y HN 0.951 nan 8.280 nan 0.000 0.441 487 E N 3.352 123.059 120.200 -0.822 0.000 2.340 487 E HA 0.151 4.508 4.350 0.012 0.000 0.194 487 E C 0.692 176.837 176.600 -0.759 0.000 0.996 487 E CA 0.784 56.810 56.400 -0.623 0.000 0.869 487 E CB 0.268 29.740 29.700 -0.381 0.000 0.835 487 E HN 0.888 nan 8.360 nan 0.000 0.493 488 G N -0.205 107.756 108.800 -1.400 0.000 2.630 488 G HA2 0.241 4.208 3.960 0.012 0.000 0.236 488 G HA3 0.241 4.208 3.960 0.012 0.000 0.236 488 G C 0.800 175.538 174.900 -0.269 0.000 1.248 488 G CA 0.308 45.006 45.100 -0.669 0.000 0.844 488 G HN 0.353 nan 8.290 nan 0.000 0.588 489 G N -0.975 107.779 108.800 -0.077 0.000 2.153 489 G HA2 0.228 4.195 3.960 0.012 0.000 0.252 489 G HA3 0.228 4.195 3.960 0.012 0.000 0.252 489 G C 1.289 176.194 174.900 0.008 0.000 0.994 489 G CA 1.022 46.140 45.100 0.030 0.000 0.698 489 G HN 2.626 nan 8.290 nan 0.000 0.521 490 G N -1.490 107.309 108.800 -0.003 0.000 2.192 490 G HA2 0.428 4.395 3.960 0.012 0.000 0.193 490 G HA3 0.428 4.395 3.960 0.012 0.000 0.193 490 G C 1.063 176.089 174.900 0.210 0.000 0.999 490 G CA 1.266 46.432 45.100 0.110 0.000 0.659 490 G HN 2.350 nan 8.290 nan 0.000 0.503 491 A N -0.271 122.549 122.820 0.000 0.000 3.413 491 A HA -0.104 4.223 4.320 0.012 0.000 0.268 491 A C 1.112 178.629 177.584 -0.112 0.000 1.128 491 A CA 2.645 54.623 52.037 -0.097 0.000 1.062 491 A CB -1.750 17.159 19.000 -0.151 0.000 1.121 491 A HN 2.132 nan 8.150 nan 0.000 0.895 492 D N -1.162 119.253 120.400 0.026 0.000 2.712 492 D HA 0.290 4.937 4.640 0.012 0.000 0.300 492 D C 0.397 176.694 176.300 -0.005 0.000 1.521 492 D CA 0.840 54.860 54.000 0.032 0.000 0.790 492 D CB -1.199 39.767 40.800 0.277 0.000 1.155 492 D HN 0.841 nan 8.370 nan 0.000 0.456 493 T N -2.214 112.268 114.554 -0.119 0.000 2.698 493 T HA 0.198 4.555 4.350 0.012 0.000 0.295 493 T C 1.594 176.156 174.700 -0.230 0.000 1.007 493 T CA 0.518 62.474 62.100 -0.239 0.000 0.980 493 T CB 0.802 69.269 68.868 -0.668 0.000 1.036 493 T HN 0.083 nan 8.240 nan 0.000 0.526 494 T N -2.575 111.844 114.554 -0.225 0.000 3.163 494 T HA 0.231 4.588 4.350 0.012 0.000 0.260 494 T C 1.478 175.943 174.700 -0.392 0.000 1.156 494 T CA 0.244 62.228 62.100 -0.194 0.000 1.072 494 T CB -0.483 68.357 68.868 -0.046 0.000 0.937 494 T HN 0.834 nan 8.240 nan 0.000 0.528 495 A N 0.449 123.057 122.820 -0.354 0.000 2.460 495 A HA 0.517 4.844 4.320 0.012 0.000 0.258 495 A C 0.786 178.220 177.584 -0.251 0.000 1.300 495 A CA -0.337 51.480 52.037 -0.366 0.000 0.913 495 A CB 0.055 19.098 19.000 0.072 0.000 1.031 495 A HN 0.420 nan 8.150 nan 0.000 0.512 496 T N -1.339 113.066 114.554 -0.248 0.000 2.952 496 T HA 0.357 4.715 4.350 0.012 0.000 0.305 496 T C -0.587 174.125 174.700 0.020 0.000 1.064 496 T CA -0.447 61.649 62.100 -0.006 0.000 1.008 496 T CB 1.218 70.078 68.868 -0.015 0.000 1.078 496 T HN 0.101 nan 8.240 nan 0.000 0.459 497 D N 2.902 123.397 120.400 0.158 0.000 2.348 497 D HA 0.248 4.895 4.640 0.012 0.000 0.211 497 D C 0.328 176.658 176.300 0.050 0.000 0.998 497 D CA 0.723 54.803 54.000 0.135 0.000 0.873 497 D CB 0.427 41.340 40.800 0.188 0.000 0.925 497 D HN 0.531 nan 8.370 nan 0.000 0.524 498 I N 0.921 121.501 120.570 0.017 0.000 2.533 498 I HA 0.244 4.421 4.170 0.012 0.000 0.290 498 I C -0.199 175.849 176.117 -0.114 0.000 1.056 498 I CA -0.864 60.412 61.300 -0.040 0.000 1.057 498 I CB 2.844 40.832 38.000 -0.019 0.000 1.240 498 I HN -0.346 nan 8.210 nan 0.000 0.423 499 I N 5.738 126.194 120.570 -0.190 0.000 2.505 499 I HA 0.046 4.223 4.170 0.012 0.000 0.287 499 I C 0.178 176.079 176.117 -0.359 0.000 1.104 499 I CA 0.036 61.124 61.300 -0.353 0.000 1.387 499 I CB 0.116 37.799 38.000 -0.527 0.000 1.404 499 I HN 0.685 nan 8.210 nan 0.000 0.528 500 C N 5.476 124.581 119.300 -0.325 0.000 3.401 500 C HA 0.468 4.935 4.460 0.012 0.000 0.204 500 C C -2.248 172.606 174.990 -0.228 0.000 1.522 500 C CA -2.317 56.566 59.018 -0.225 0.000 1.409 500 C CB -0.956 26.712 27.740 -0.119 0.000 1.967 500 C HN 0.402 nan 8.230 nan 0.000 0.496 501 P HA 0.297 nan 4.420 nan 0.000 0.272 501 P C -0.366 176.879 177.300 -0.090 0.000 1.240 501 P CA 0.328 63.324 63.100 -0.174 0.000 0.791 501 P CB 0.682 32.293 31.700 -0.149 0.000 0.978 502 M N 0.440 120.017 119.600 -0.038 0.000 2.181 502 M HA 0.444 4.931 4.480 0.012 0.000 0.323 502 M C -0.830 175.470 176.300 -0.001 0.000 1.004 502 M CA -0.618 54.563 55.300 -0.198 0.000 0.941 502 M CB 1.070 33.556 32.600 -0.192 0.000 1.579 502 M HN 0.332 nan 8.290 nan 0.000 0.427 503 Y N -0.068 120.405 120.300 0.289 0.000 4.490 503 Y HA -0.232 4.325 4.550 0.012 0.000 0.233 503 Y C 0.566 176.643 175.900 0.295 0.000 1.101 503 Y CA 0.454 58.726 58.100 0.286 0.000 2.010 503 Y CB -2.230 36.369 38.460 0.232 0.000 1.622 503 Y HN 0.979 nan 8.280 nan 0.000 0.675 504 A N 1.029 124.067 122.820 0.364 0.000 2.407 504 A HA 0.593 4.920 4.320 0.012 0.000 0.248 504 A C 0.722 178.541 177.584 0.392 0.000 1.082 504 A CA -0.396 51.865 52.037 0.374 0.000 0.785 504 A CB 0.423 19.684 19.000 0.435 0.000 1.020 504 A HN 0.426 nan 8.150 nan 0.000 0.489 505 R N 1.079 121.738 120.500 0.265 0.000 2.546 505 R HA 0.373 4.720 4.340 0.012 0.000 0.266 505 R C 0.997 177.279 176.300 -0.030 0.000 1.086 505 R CA -0.756 55.427 56.100 0.139 0.000 1.160 505 R CB 0.624 30.969 30.300 0.075 0.000 1.138 505 R HN 0.462 nan 8.270 nan 0.000 0.567 506 V N 0.554 120.282 119.914 -0.309 0.000 2.283 506 V HA -0.184 3.943 4.120 0.012 0.000 0.243 506 V C 0.882 176.872 176.094 -0.173 0.000 1.039 506 V CA 1.854 63.945 62.300 -0.349 0.000 1.016 506 V CB -0.250 31.247 31.823 -0.543 0.000 0.650 506 V HN 0.742 nan 8.190 nan 0.000 0.449 507 D N -1.457 118.869 120.400 -0.123 0.000 2.479 507 D HA 0.108 4.755 4.640 0.012 0.000 0.221 507 D C 0.862 177.150 176.300 -0.021 0.000 1.104 507 D CA 0.055 54.017 54.000 -0.064 0.000 0.849 507 D CB 0.809 41.575 40.800 -0.057 0.000 1.072 507 D HN 0.487 nan 8.370 nan 0.000 0.502 508 E N 1.795 121.987 120.200 -0.014 0.000 2.197 508 E HA 0.131 4.488 4.350 0.012 0.000 0.281 508 E C -0.866 175.738 176.600 0.008 0.000 0.995 508 E CA -0.590 55.810 56.400 -0.000 0.000 0.808 508 E CB 1.099 30.798 29.700 -0.001 0.000 1.093 508 E HN -0.210 nan 8.360 nan 0.000 0.394 509 D N 3.445 123.849 120.400 0.006 0.000 2.313 509 D HA 0.141 4.788 4.640 0.012 0.000 0.247 509 D C -0.653 175.541 176.300 -0.177 0.000 1.094 509 D CA 0.121 54.115 54.000 -0.011 0.000 0.925 509 D CB 1.215 42.075 40.800 0.099 0.000 1.188 509 D HN 0.398 nan 8.370 nan 0.000 0.430 510 Q N 1.479 121.053 119.800 -0.377 0.000 2.674 510 Q HA 0.259 4.606 4.340 0.012 0.000 0.249 510 Q C -2.221 173.130 176.000 -1.083 0.000 1.011 510 Q CA -1.525 53.840 55.803 -0.729 0.000 0.734 510 Q CB 2.402 30.691 28.738 -0.750 0.000 1.201 510 Q HN 0.155 nan 8.270 nan 0.000 0.498 511 P HA 0.023 nan 4.420 nan 0.000 0.218 511 P C -0.715 176.267 177.300 -0.530 0.000 1.793 511 P CA -0.123 62.543 63.100 -0.723 0.000 0.941 511 P CB -0.521 30.960 31.700 -0.364 0.000 1.919 512 F N 2.634 122.411 119.950 -0.289 0.000 2.553 512 F HA 0.147 4.680 4.527 0.011 0.000 0.356 512 F C -1.019 174.674 175.800 -0.178 0.000 1.142 512 F CA -2.219 55.670 58.000 -0.185 0.000 1.322 512 F CB -0.467 38.441 39.000 -0.154 0.000 1.126 512 F HN 0.084 nan 8.300 nan 0.000 0.599 513 P HA 0.106 nan 4.420 nan 0.000 0.271 513 P C 0.299 177.616 177.300 0.028 0.000 1.216 513 P CA 0.857 63.973 63.100 0.027 0.000 0.776 513 P CB 1.324 33.041 31.700 0.027 0.000 0.881 514 A N 2.860 125.690 122.820 0.016 0.000 2.070 514 A HA -0.254 4.073 4.320 0.012 0.000 0.231 514 A C 0.736 178.331 177.584 0.019 0.000 0.501 514 A CA 2.033 54.084 52.037 0.024 0.000 1.119 514 A CB -2.728 16.287 19.000 0.025 0.000 1.430 514 A HN 0.698 nan 8.150 nan 0.000 0.706 515 V N -2.833 117.087 119.914 0.011 0.000 2.361 515 V HA 0.585 4.712 4.120 0.012 0.000 0.252 515 V C -2.408 173.681 176.094 -0.007 0.000 0.986 515 V CA -1.307 60.999 62.300 0.010 0.000 1.033 515 V CB 0.674 32.505 31.823 0.014 0.000 1.282 515 V HN 0.512 nan 8.190 nan 0.000 0.514 516 P HA 0.286 nan 4.420 nan 0.000 0.272 516 P C -0.643 176.262 177.300 -0.658 0.000 1.223 516 P CA 0.050 62.804 63.100 -0.577 0.000 0.784 516 P CB 1.071 31.965 31.700 -1.343 0.000 0.923 517 K N 2.268 122.355 120.400 -0.522 0.000 2.414 517 K HA 0.211 4.538 4.320 0.012 0.000 0.251 517 K C -0.488 175.855 176.600 -0.429 0.000 1.037 517 K CA -0.294 55.858 56.287 -0.225 0.000 0.980 517 K CB 0.419 33.047 32.500 0.214 0.000 1.280 517 K HN 0.460 nan 8.250 nan 0.000 0.451 518 W N 1.438 122.439 121.300 -0.498 0.000 2.150 518 W HA 0.052 4.720 4.660 0.013 0.000 0.341 518 W C 1.311 177.857 176.519 0.046 0.000 1.276 518 W CA -0.409 56.738 57.345 -0.330 0.000 1.238 518 W CB 0.442 29.540 29.460 -0.604 0.000 1.128 518 W HN 0.387 nan 8.180 nan 0.000 0.581 519 S N 3.386 119.249 115.700 0.272 0.000 2.573 519 S HA -0.106 4.371 4.470 0.012 0.000 0.297 519 S C 1.210 175.965 174.600 0.258 0.000 1.280 519 S CA -0.044 58.262 58.200 0.176 0.000 1.061 519 S CB 0.151 63.400 63.200 0.082 0.000 0.812 519 S HN 0.509 nan 8.310 nan 0.000 0.500 520 I N 2.180 122.862 120.570 0.186 0.000 2.361 520 I HA -0.132 4.045 4.170 0.012 0.000 0.251 520 I C 2.033 178.172 176.117 0.037 0.000 1.133 520 I CA 1.193 62.600 61.300 0.178 0.000 1.413 520 I CB -0.463 37.591 38.000 0.089 0.000 1.073 520 I HN 0.599 nan 8.210 nan 0.000 0.424 521 K N 1.632 121.953 120.400 -0.131 0.000 2.057 521 K HA -0.161 4.166 4.320 0.012 0.000 0.207 521 K C 2.299 178.867 176.600 -0.053 0.000 1.049 521 K CA 1.649 57.755 56.287 -0.302 0.000 0.931 521 K CB -0.204 32.023 32.500 -0.456 0.000 0.714 521 K HN 0.382 nan 8.250 nan 0.000 0.440 522 K N 0.204 120.614 120.400 0.016 0.000 2.103 522 K HA -0.157 4.170 4.320 0.012 0.000 0.204 522 K C 1.882 178.504 176.600 0.036 0.000 1.052 522 K CA 0.726 57.014 56.287 0.001 0.000 0.945 522 K CB -0.053 32.420 32.500 -0.045 0.000 0.722 522 K HN 0.213 nan 8.250 nan 0.000 0.443 523 W N 2.174 123.458 121.300 -0.027 0.000 2.321 523 W HA -0.198 4.467 4.660 0.009 0.000 0.306 523 W C 1.639 178.137 176.519 -0.034 0.000 1.217 523 W CA 1.168 58.510 57.345 -0.005 0.000 1.257 523 W CB -0.627 28.909 29.460 0.127 0.000 1.145 523 W HN 0.088 nan 8.180 nan 0.000 0.509 524 L N 0.838 122.210 121.223 0.248 0.000 2.127 524 L HA -0.242 4.105 4.340 0.012 0.000 0.211 524 L C 2.243 179.176 176.870 0.105 0.000 1.089 524 L CA 1.953 56.874 54.840 0.135 0.000 0.757 524 L CB -0.929 41.190 42.059 0.100 0.000 0.899 524 L HN 0.000 nan 8.230 nan 0.000 0.434 525 S N -1.407 114.339 115.700 0.076 0.000 2.572 525 S HA 0.250 4.727 4.470 0.012 0.000 0.228 525 S C 0.532 175.119 174.600 -0.022 0.000 0.963 525 S CA -0.555 57.663 58.200 0.031 0.000 0.939 525 S CB -0.403 62.817 63.200 0.035 0.000 0.804 525 S HN 0.154 nan 8.310 nan 0.000 0.480 526 L N 2.094 123.293 121.223 -0.041 0.000 2.483 526 L HA 0.253 4.600 4.340 0.012 0.000 0.276 526 L C -2.214 174.623 176.870 -0.055 0.000 1.213 526 L CA -1.811 52.956 54.840 -0.121 0.000 0.843 526 L CB -0.319 41.636 42.059 -0.175 0.000 1.107 526 L HN 0.026 nan 8.230 nan 0.000 0.487 527 P HA -0.046 nan 4.420 nan 0.000 0.260 527 P C 0.766 178.059 177.300 -0.012 0.000 1.172 527 P CA 1.101 64.178 63.100 -0.039 0.000 0.760 527 P CB 0.468 32.139 31.700 -0.049 0.000 0.773 528 G N 1.793 110.593 108.800 0.000 0.000 2.205 528 G HA2 -0.274 3.693 3.960 0.012 0.000 0.261 528 G HA3 -0.274 3.693 3.960 0.012 0.000 0.261 528 G C 0.248 175.164 174.900 0.027 0.000 0.980 528 G CA 0.111 45.219 45.100 0.014 0.000 0.632 528 G HN 0.614 nan 8.290 nan 0.000 0.533 529 E N 1.046 121.267 120.200 0.034 0.000 2.313 529 E HA 0.602 4.960 4.350 0.012 0.000 0.276 529 E C 1.321 177.946 176.600 0.042 0.000 1.031 529 E CA 0.641 57.075 56.400 0.056 0.000 0.857 529 E CB 0.771 30.531 29.700 0.099 0.000 1.040 529 E HN 0.519 nan 8.360 nan 0.000 0.408 530 T N 0.637 115.212 114.554 0.036 0.000 3.130 530 T HA 0.333 4.690 4.350 0.012 0.000 0.288 530 T C 0.546 175.256 174.700 0.017 0.000 0.936 530 T CA -0.486 61.629 62.100 0.026 0.000 0.897 530 T CB 0.080 68.962 68.868 0.024 0.000 1.178 530 T HN 0.241 nan 8.240 nan 0.000 0.543 531 R N 2.380 122.885 120.500 0.009 0.000 2.637 531 R HA 0.442 4.789 4.340 0.012 0.000 0.269 531 R C -2.509 173.771 176.300 -0.034 0.000 1.089 531 R CA -1.807 54.286 56.100 -0.011 0.000 1.177 531 R CB 0.073 30.358 30.300 -0.025 0.000 1.091 531 R HN 0.224 nan 8.270 nan 0.000 0.540 532 P HA 0.076 nan 4.420 nan 0.000 0.274 532 P C -1.046 176.183 177.300 -0.119 0.000 1.237 532 P CA -0.097 62.961 63.100 -0.070 0.000 0.793 532 P CB 0.708 32.368 31.700 -0.068 0.000 0.977 533 L N 2.788 123.920 121.223 -0.151 0.000 2.349 533 L HA 0.572 4.919 4.340 0.012 0.000 0.278 533 L C -0.954 175.769 176.870 -0.245 0.000 0.996 533 L CA -0.661 54.050 54.840 -0.216 0.000 0.825 533 L CB 0.606 42.534 42.059 -0.219 0.000 1.243 533 L HN 0.237 nan 8.230 nan 0.000 0.412 534 I N 5.787 126.217 120.570 -0.233 0.000 2.497 534 I HA 0.247 4.424 4.170 0.012 0.000 0.284 534 I C -0.752 175.267 176.117 -0.163 0.000 1.060 534 I CA -0.515 60.634 61.300 -0.252 0.000 1.071 534 I CB 1.932 39.837 38.000 -0.158 0.000 1.216 534 I HN 0.476 nan 8.210 nan 0.000 0.442 535 L N 5.501 126.600 121.223 -0.207 0.000 2.499 535 L HA 0.012 4.360 4.340 0.012 0.000 0.273 535 L C 1.508 178.450 176.870 0.119 0.000 1.195 535 L CA -0.071 54.718 54.840 -0.085 0.000 0.882 535 L CB 0.597 42.591 42.059 -0.109 0.000 1.133 535 L HN 0.856 nan 8.230 nan 0.000 0.483 536 C N 0.105 119.458 119.300 0.088 0.000 2.468 536 C HA 0.165 4.632 4.460 0.012 0.000 0.277 536 C C 0.570 175.705 174.990 0.241 0.000 1.400 536 C CA -0.240 58.882 59.018 0.172 0.000 1.770 536 C CB -1.108 26.646 27.740 0.024 0.000 1.905 536 C HN 0.821 nan 8.230 nan 0.000 0.519 537 E N -0.680 119.587 120.200 0.113 0.000 2.321 537 E HA 0.593 4.950 4.350 0.012 0.000 0.281 537 E C -1.411 175.107 176.600 -0.135 0.000 0.910 537 E CA -0.388 56.056 56.400 0.074 0.000 0.770 537 E CB 1.877 31.458 29.700 -0.198 0.000 1.225 537 E HN 0.680 nan 8.360 nan 0.000 0.417 538 Y N -1.189 119.094 120.300 -0.028 0.000 2.689 538 Y HA 0.636 5.194 4.550 0.013 0.000 0.333 538 Y C -0.673 175.399 175.900 0.287 0.000 1.208 538 Y CA -0.911 57.181 58.100 -0.013 0.000 1.055 538 Y CB 0.971 39.262 38.460 -0.281 0.000 1.304 538 Y HN 0.672 nan 8.280 nan 0.000 0.455 539 A N 1.950 124.831 122.820 0.103 0.000 2.303 539 A HA -0.261 4.066 4.320 0.012 0.000 0.286 539 A C -0.459 177.234 177.584 0.182 0.000 1.429 539 A CA 1.036 53.123 52.037 0.085 0.000 0.738 539 A CB -2.441 16.485 19.000 -0.123 0.000 1.149 539 A HN 1.071 nan 8.150 nan 0.000 0.364 540 H N 0.830 120.044 119.070 0.240 0.000 3.191 540 H HA 0.287 4.850 4.556 0.012 0.000 0.261 540 H C 1.075 176.444 175.328 0.067 0.000 1.013 540 H CA 0.856 57.044 56.048 0.234 0.000 1.457 540 H CB 0.486 30.282 29.762 0.058 0.000 1.535 540 H HN 0.807 nan 8.280 nan 0.000 0.518 541 A N 6.663 129.346 122.820 -0.229 0.000 2.840 541 A HA 0.079 4.406 4.320 0.012 0.000 0.269 541 A C 0.807 178.215 177.584 -0.293 0.000 1.439 541 A CA -0.409 51.481 52.037 -0.244 0.000 1.083 541 A CB -0.591 18.249 19.000 -0.266 0.000 1.019 541 A HN 0.786 nan 8.150 nan 0.000 0.607 542 M N 1.440 120.866 119.600 -0.289 0.000 2.108 542 M HA 0.461 4.948 4.480 0.012 0.000 0.347 542 M C 0.912 177.070 176.300 -0.238 0.000 1.326 542 M CA 1.190 56.338 55.300 -0.253 0.000 1.126 542 M CB -0.074 32.439 32.600 -0.145 0.000 1.606 542 M HN 0.825 nan 8.290 nan 0.000 0.462 543 G N 4.197 112.829 108.800 -0.280 0.000 2.539 543 G HA2 -0.327 3.640 3.960 0.012 0.000 0.256 543 G HA3 -0.327 3.640 3.960 0.012 0.000 0.256 543 G C -0.334 174.061 174.900 -0.842 0.000 1.233 543 G CA -0.032 44.725 45.100 -0.571 0.000 0.936 543 G HN 0.847 nan 8.290 nan 0.000 0.571 544 N N 1.099 119.182 118.700 -1.029 0.000 2.448 544 N HA 0.508 5.255 4.740 0.012 0.000 0.250 544 N C 0.077 175.357 175.510 -0.384 0.000 1.136 544 N CA 1.066 53.683 53.050 -0.722 0.000 0.953 544 N CB 0.557 38.667 38.487 -0.627 0.000 1.251 544 N HN 0.877 nan 8.380 nan 0.000 0.502 545 S N 2.326 117.879 115.700 -0.245 0.000 2.998 545 S HA 0.602 5.079 4.470 0.012 0.000 0.321 545 S C -0.132 174.407 174.600 -0.102 0.000 1.171 545 S CA -0.333 57.772 58.200 -0.158 0.000 0.882 545 S CB 0.044 63.166 63.200 -0.130 0.000 1.301 545 S HN 0.386 nan 8.310 nan 0.000 0.629 546 L N 0.115 121.304 121.223 -0.057 0.000 4.613 546 L HA -0.050 4.297 4.340 0.012 0.000 0.409 546 L C 0.489 177.397 176.870 0.064 0.000 1.100 546 L CA 0.860 55.683 54.840 -0.029 0.000 1.029 546 L CB -1.723 40.224 42.059 -0.186 0.000 2.137 546 L HN 0.740 nan 8.230 nan 0.000 0.713 547 G N -0.828 107.986 108.800 0.024 0.000 2.398 547 G HA2 0.473 4.440 3.960 0.012 0.000 0.246 547 G HA3 0.473 4.440 3.960 0.012 0.000 0.246 547 G C 1.230 176.185 174.900 0.092 0.000 1.289 547 G CA 0.143 45.240 45.100 -0.004 0.000 0.869 547 G HN 1.396 nan 8.290 nan 0.000 0.543 548 G N 1.517 110.368 108.800 0.085 0.000 2.176 548 G HA2 -0.316 3.651 3.960 0.012 0.000 0.253 548 G HA3 -0.316 3.651 3.960 0.012 0.000 0.253 548 G C 1.019 176.118 174.900 0.330 0.000 0.979 548 G CA 0.763 45.967 45.100 0.174 0.000 0.641 548 G HN 0.776 nan 8.290 nan 0.000 0.530 549 F N 1.867 121.943 119.950 0.211 0.000 2.126 549 F HA 0.119 4.654 4.527 0.012 0.000 0.299 549 F C 2.657 178.670 175.800 0.355 0.000 1.096 549 F CA 2.428 60.628 58.000 0.334 0.000 1.255 549 F CB -0.484 38.652 39.000 0.227 0.000 0.997 549 F HN 0.357 nan 8.300 nan 0.000 0.479 550 A N -0.423 122.562 122.820 0.274 0.000 2.019 550 A HA -0.217 4.110 4.320 0.012 0.000 0.219 550 A C 2.297 179.903 177.584 0.037 0.000 1.164 550 A CA 1.598 53.723 52.037 0.147 0.000 0.644 550 A CB -0.793 18.301 19.000 0.156 0.000 0.805 550 A HN 0.442 nan 8.150 nan 0.000 0.449 551 K N -1.571 118.838 120.400 0.014 0.000 2.147 551 K HA -0.164 4.163 4.320 0.012 0.000 0.205 551 K C 1.624 178.008 176.600 -0.359 0.000 1.049 551 K CA 1.459 57.670 56.287 -0.128 0.000 0.936 551 K CB -0.277 32.153 32.500 -0.117 0.000 0.722 551 K HN 0.595 nan 8.250 nan 0.000 0.446 552 Y N -0.831 119.218 120.300 -0.419 0.000 2.163 552 Y HA -0.227 4.330 4.550 0.011 0.000 0.288 552 Y C 1.969 176.950 175.900 -1.531 0.000 1.136 552 Y CA 1.497 59.001 58.100 -0.993 0.000 1.147 552 Y CB -0.299 37.567 38.460 -0.989 0.000 0.987 552 Y HN 0.153 nan 8.280 nan 0.000 0.509 553 W N 0.142 121.019 121.300 -0.704 0.000 2.374 553 W HA -0.206 4.461 4.660 0.013 0.000 0.288 553 W C 2.612 178.957 176.519 -0.289 0.000 1.218 553 W CA 1.511 58.565 57.345 -0.485 0.000 1.245 553 W CB -0.480 28.774 29.460 -0.344 0.000 1.126 553 W HN 0.080 nan 8.180 nan 0.000 0.545 554 Q N 0.785 120.499 119.800 -0.144 0.000 2.084 554 Q HA -0.168 4.179 4.340 0.012 0.000 0.202 554 Q C 2.201 178.147 176.000 -0.089 0.000 0.978 554 Q CA 2.028 57.788 55.803 -0.071 0.000 0.844 554 Q CB -0.580 28.130 28.738 -0.046 0.000 0.898 554 Q HN 0.266 nan 8.270 nan 0.000 0.426 555 A N 0.151 122.833 122.820 -0.231 0.000 1.877 555 A HA -0.123 4.204 4.320 0.012 0.000 0.216 555 A C 2.053 179.626 177.584 -0.018 0.000 1.186 555 A CA 1.197 53.139 52.037 -0.158 0.000 0.620 555 A CB -1.113 17.677 19.000 -0.351 0.000 0.822 555 A HN 0.480 nan 8.150 nan 0.000 0.443 556 F N -0.426 119.354 119.950 -0.283 0.000 2.126 556 F HA -0.218 4.316 4.527 0.012 0.000 0.299 556 F C 2.758 178.454 175.800 -0.172 0.000 1.096 556 F CA 1.189 58.983 58.000 -0.344 0.000 1.255 556 F CB -0.175 38.375 39.000 -0.750 0.000 0.997 556 F HN 0.153 nan 8.300 nan 0.000 0.479 557 R N -0.027 120.518 120.500 0.075 0.000 2.115 557 R HA -0.141 4.206 4.340 0.012 0.000 0.226 557 R C 2.106 178.434 176.300 0.046 0.000 1.100 557 R CA 0.968 57.099 56.100 0.051 0.000 0.980 557 R CB -0.358 29.968 30.300 0.044 0.000 0.875 557 R HN 0.370 nan 8.270 nan 0.000 0.445 558 Q N -0.318 119.534 119.800 0.086 0.000 2.187 558 Q HA -0.058 4.289 4.340 0.012 0.000 0.199 558 Q C -0.467 175.541 176.000 0.014 0.000 0.957 558 Q CA 0.983 56.822 55.803 0.060 0.000 0.857 558 Q CB 0.377 29.180 28.738 0.108 0.000 0.929 558 Q HN 0.186 nan 8.270 nan 0.000 0.453 559 Y N -0.231 120.049 120.300 -0.032 0.000 2.331 559 Y HA 0.272 4.829 4.550 0.010 0.000 0.338 559 Y C -1.800 174.074 175.900 -0.043 0.000 0.976 559 Y CA -2.756 55.326 58.100 -0.031 0.000 1.137 559 Y CB 1.596 40.043 38.460 -0.022 0.000 1.172 559 Y HN 0.088 nan 8.280 nan 0.000 0.478 560 P HA -0.152 nan 4.420 nan 0.000 0.215 560 P C 1.081 178.383 177.300 0.003 0.000 1.157 560 P CA 1.837 64.940 63.100 0.005 0.000 0.868 560 P CB 0.307 31.997 31.700 -0.016 0.000 0.788 561 R N -1.159 119.362 120.500 0.036 0.000 2.316 561 R HA 0.082 4.429 4.340 0.012 0.000 0.202 561 R C 0.493 176.769 176.300 -0.039 0.000 1.029 561 R CA 0.170 56.271 56.100 0.001 0.000 1.018 561 R CB -0.507 29.803 30.300 0.018 0.000 0.888 561 R HN 0.244 nan 8.270 nan 0.000 0.471 562 L N 2.016 123.234 121.223 -0.010 0.000 2.334 562 L HA 0.108 4.455 4.340 0.012 0.000 0.286 562 L C 0.615 177.331 176.870 -0.257 0.000 1.108 562 L CA 0.168 54.950 54.840 -0.097 0.000 0.875 562 L CB 1.015 43.091 42.059 0.028 0.000 1.246 562 L HN 0.092 nan 8.230 nan 0.000 0.439 563 Q N 2.765 122.340 119.800 -0.374 0.000 2.201 563 Q HA 0.290 4.637 4.340 0.012 0.000 0.217 563 Q C 0.852 176.420 176.000 -0.721 0.000 0.860 563 Q CA 0.131 55.674 55.803 -0.434 0.000 0.984 563 Q CB 0.915 29.496 28.738 -0.262 0.000 1.095 563 Q HN 0.953 nan 8.270 nan 0.000 0.477 564 G N -0.375 107.597 108.800 -1.380 0.000 2.416 564 G HA2 0.118 4.085 3.960 0.012 0.000 0.203 564 G HA3 0.118 4.085 3.960 0.012 0.000 0.203 564 G C -0.328 173.705 174.900 -1.446 0.000 1.227 564 G CA -0.752 43.188 45.100 -1.935 0.000 1.041 564 G HN 0.567 nan 8.290 nan 0.000 0.546 565 G N -2.200 106.051 108.800 -0.916 0.000 2.322 565 G HA2 0.634 4.601 3.960 0.012 0.000 0.295 565 G HA3 0.634 4.601 3.960 0.012 0.000 0.295 565 G C -1.832 172.994 174.900 -0.123 0.000 1.369 565 G CA -0.284 44.500 45.100 -0.527 0.000 0.821 565 G HN 1.166 nan 8.290 nan 0.000 0.536 566 F N 0.678 120.870 119.950 0.402 0.000 2.427 566 F HA 0.517 5.050 4.527 0.011 0.000 0.348 566 F C 0.764 176.845 175.800 0.468 0.000 1.125 566 F CA -0.780 57.479 58.000 0.432 0.000 0.989 566 F CB 2.111 41.258 39.000 0.246 0.000 1.165 566 F HN 0.267 nan 8.300 nan 0.000 0.442 567 V N 3.242 123.463 119.914 0.511 0.000 2.872 567 V HA -0.134 3.993 4.120 0.012 0.000 0.307 567 V C -0.238 175.981 176.094 0.208 0.000 1.072 567 V CA -0.293 62.098 62.300 0.152 0.000 1.148 567 V CB 0.743 32.653 31.823 0.145 0.000 0.954 567 V HN 0.762 nan 8.190 nan 0.000 0.490 568 W N 6.486 127.842 121.300 0.094 0.000 2.278 568 W HA 0.477 5.144 4.660 0.011 0.000 0.317 568 W C -0.890 175.593 176.519 -0.060 0.000 1.030 568 W CA -0.634 56.792 57.345 0.135 0.000 1.334 568 W CB 1.311 31.023 29.460 0.420 0.000 1.215 568 W HN 0.921 nan 8.180 nan 0.000 0.405 569 D N 2.782 122.804 120.400 -0.630 0.000 2.825 569 D HA 0.089 4.736 4.640 0.012 0.000 0.327 569 D C 0.631 176.665 176.300 -0.443 0.000 1.277 569 D CA -0.579 52.929 54.000 -0.820 0.000 0.950 569 D CB 0.215 39.990 40.800 -1.709 0.000 1.438 569 D HN 0.413 nan 8.370 nan 0.000 0.526 570 W N 0.457 121.418 121.300 -0.566 0.000 2.380 570 W HA 0.129 4.796 4.660 0.012 0.000 0.317 570 W C -0.135 176.141 176.519 -0.404 0.000 1.196 570 W CA 1.149 58.224 57.345 -0.450 0.000 1.307 570 W CB 0.350 29.578 29.460 -0.387 0.000 1.157 570 W HN 0.166 nan 8.180 nan 0.000 0.483 571 V N 2.557 122.238 119.914 -0.389 0.000 2.709 571 V HA 0.236 4.363 4.120 0.012 0.000 0.308 571 V C -0.950 174.933 176.094 -0.353 0.000 1.062 571 V CA -0.779 61.239 62.300 -0.470 0.000 0.901 571 V CB 1.542 33.193 31.823 -0.286 0.000 1.003 571 V HN -0.121 nan 8.190 nan 0.000 0.425 572 D N 3.979 124.166 120.400 -0.356 0.000 2.493 572 D HA 0.106 4.753 4.640 0.012 0.000 0.240 572 D C 0.382 176.516 176.300 -0.277 0.000 1.142 572 D CA 0.661 54.506 54.000 -0.259 0.000 0.872 572 D CB 0.914 41.656 40.800 -0.097 0.000 1.173 572 D HN 0.606 nan 8.370 nan 0.000 0.467 573 Q N 1.241 120.802 119.800 -0.397 0.000 3.170 573 Q HA 0.115 4.462 4.340 0.012 0.000 0.346 573 Q C -0.087 175.856 176.000 -0.095 0.000 1.333 573 Q CA -0.299 55.046 55.803 -0.763 0.000 0.958 573 Q CB -0.003 28.406 28.738 -0.547 0.000 1.600 573 Q HN 0.367 nan 8.270 nan 0.000 0.482 574 S N -0.337 115.424 115.700 0.101 0.000 2.616 574 S HA 0.593 5.070 4.470 0.012 0.000 0.277 574 S C -0.067 174.718 174.600 0.308 0.000 1.234 574 S CA -0.790 57.586 58.200 0.294 0.000 1.028 574 S CB 1.448 64.801 63.200 0.256 0.000 0.988 574 S HN 0.322 nan 8.310 nan 0.000 0.522 575 L N 1.809 123.130 121.223 0.164 0.000 2.334 575 L HA 0.504 4.851 4.340 0.012 0.000 0.273 575 L C -0.349 176.441 176.870 -0.134 0.000 1.013 575 L CA -1.179 53.631 54.840 -0.050 0.000 0.816 575 L CB 1.376 43.308 42.059 -0.212 0.000 1.278 575 L HN 0.556 nan 8.230 nan 0.000 0.431 576 I N 2.661 123.095 120.570 -0.227 0.000 2.416 576 I HA 0.216 4.393 4.170 0.012 0.000 0.288 576 I C 0.181 175.941 176.117 -0.596 0.000 1.051 576 I CA 0.052 61.086 61.300 -0.442 0.000 1.375 576 I CB 0.909 38.650 38.000 -0.433 0.000 1.407 576 I HN 0.581 nan 8.210 nan 0.000 0.516 577 K N 5.759 125.518 120.400 -1.068 0.000 2.350 577 K HA 0.604 4.931 4.320 0.012 0.000 0.241 577 K C -1.568 174.230 176.600 -1.338 0.000 0.994 577 K CA -0.697 54.855 56.287 -1.225 0.000 0.839 577 K CB 2.331 33.859 32.500 -1.620 0.000 1.244 577 K HN 0.261 nan 8.250 nan 0.000 0.443 578 Y N 0.783 120.812 120.300 -0.451 0.000 2.406 578 Y HA 0.129 4.686 4.550 0.012 0.000 0.340 578 Y C -0.300 175.672 175.900 0.121 0.000 0.975 578 Y CA -1.216 56.816 58.100 -0.112 0.000 1.056 578 Y CB 1.515 39.922 38.460 -0.089 0.000 1.210 578 Y HN 0.680 nan 8.280 nan 0.000 0.448 579 D N 0.540 121.191 120.400 0.418 0.000 2.383 579 D HA 0.053 4.700 4.640 0.012 0.000 0.248 579 D C 1.000 177.405 176.300 0.174 0.000 1.170 579 D CA -0.332 53.849 54.000 0.303 0.000 0.977 579 D CB 0.900 41.820 40.800 0.201 0.000 1.120 579 D HN 0.407 nan 8.370 nan 0.000 0.481 580 E N 0.092 120.357 120.200 0.108 0.000 2.136 580 E HA -0.234 4.123 4.350 0.012 0.000 0.202 580 E C 1.163 177.799 176.600 0.059 0.000 1.019 580 E CA 1.189 57.628 56.400 0.065 0.000 0.819 580 E CB -0.365 29.357 29.700 0.037 0.000 0.739 580 E HN 0.470 nan 8.360 nan 0.000 0.458 581 N N -0.340 118.402 118.700 0.069 0.000 2.573 581 N HA -0.054 4.693 4.740 0.012 0.000 0.187 581 N C 0.937 176.492 175.510 0.074 0.000 1.107 581 N CA 1.089 54.175 53.050 0.060 0.000 0.918 581 N CB 0.012 38.533 38.487 0.056 0.000 0.966 581 N HN 0.290 nan 8.380 nan 0.000 0.448 582 G N 0.571 109.436 108.800 0.108 0.000 2.176 582 G HA2 -0.266 3.701 3.960 0.012 0.000 0.252 582 G HA3 -0.266 3.701 3.960 0.012 0.000 0.252 582 G C -0.222 174.815 174.900 0.229 0.000 1.024 582 G CA -0.263 44.909 45.100 0.121 0.000 0.755 582 G HN 0.325 nan 8.290 nan 0.000 0.507 583 N N 1.061 119.914 118.700 0.255 0.000 2.421 583 N HA 0.438 5.185 4.740 0.012 0.000 0.285 583 N C -2.392 173.249 175.510 0.219 0.000 1.027 583 N CA -1.298 51.897 53.050 0.242 0.000 0.918 583 N CB 2.356 40.933 38.487 0.150 0.000 1.152 583 N HN 0.094 nan 8.380 nan 0.000 0.485 584 P HA 0.135 nan 4.420 nan 0.000 0.269 584 P C -0.687 176.550 177.300 -0.104 0.000 1.215 584 P CA 0.052 62.940 63.100 -0.353 0.000 0.780 584 P CB 0.538 32.049 31.700 -0.316 0.000 0.898 585 W N -1.123 119.914 121.300 -0.438 0.000 3.571 585 W HA 0.296 4.963 4.660 0.012 0.000 0.294 585 W C -1.566 174.760 176.519 -0.322 0.000 1.257 585 W CA -0.881 56.221 57.345 -0.405 0.000 1.206 585 W CB 0.129 29.111 29.460 -0.796 0.000 1.325 585 W HN 0.113 nan 8.180 nan 0.000 0.546 586 S N 2.002 117.759 115.700 0.096 0.000 2.481 586 S HA 0.477 4.954 4.470 0.012 0.000 0.282 586 S C 0.357 175.101 174.600 0.239 0.000 1.243 586 S CA 0.112 58.377 58.200 0.108 0.000 1.078 586 S CB 0.490 63.811 63.200 0.201 0.000 0.916 586 S HN 0.597 nan 8.310 nan 0.000 0.495 587 A N 3.206 126.039 122.820 0.021 0.000 2.311 587 A HA 0.887 5.214 4.320 0.012 0.000 0.334 587 A C -0.592 177.239 177.584 0.412 0.000 1.139 587 A CA -0.737 51.361 52.037 0.101 0.000 0.830 587 A CB 0.699 19.479 19.000 -0.367 0.000 1.234 587 A HN 0.831 nan 8.150 nan 0.000 0.483 588 Y N -1.120 119.499 120.300 0.532 0.000 2.944 588 Y HA 0.762 5.320 4.550 0.012 0.000 0.312 588 Y C 0.583 176.842 175.900 0.599 0.000 1.417 588 Y CA -1.447 56.953 58.100 0.500 0.000 1.105 588 Y CB -0.056 38.530 38.460 0.211 0.000 1.364 588 Y HN 0.938 nan 8.280 nan 0.000 0.540 589 G N -0.153 109.032 108.800 0.641 0.000 2.321 589 G HA2 0.378 4.345 3.960 0.012 0.000 0.237 589 G HA3 0.378 4.345 3.960 0.012 0.000 0.237 589 G C 0.959 176.193 174.900 0.558 0.000 1.282 589 G CA 0.432 45.843 45.100 0.519 0.000 0.886 589 G HN 1.998 nan 8.290 nan 0.000 0.528 590 G N 2.112 111.210 108.800 0.496 0.000 2.284 590 G HA2 -0.298 3.669 3.960 0.012 0.000 0.247 590 G HA3 -0.298 3.669 3.960 0.012 0.000 0.247 590 G C 0.956 176.064 174.900 0.346 0.000 1.012 590 G CA 0.719 46.045 45.100 0.377 0.000 0.618 590 G HN 0.648 nan 8.290 nan 0.000 0.521 591 D N -0.070 120.555 120.400 0.376 0.000 2.384 591 D HA 0.085 4.732 4.640 0.012 0.000 0.222 591 D C 1.164 177.362 176.300 -0.170 0.000 0.976 591 D CA 0.655 54.714 54.000 0.099 0.000 0.915 591 D CB -0.218 40.576 40.800 -0.011 0.000 0.896 591 D HN 0.485 nan 8.370 nan 0.000 0.523 592 F N -0.963 119.112 119.950 0.209 0.000 2.735 592 F HA 0.339 4.873 4.527 0.012 0.000 0.304 592 F C 1.738 177.624 175.800 0.142 0.000 1.119 592 F CA -0.289 57.792 58.000 0.135 0.000 1.280 592 F CB 0.798 39.864 39.000 0.111 0.000 0.994 592 F HN -0.052 nan 8.300 nan 0.000 0.520 593 G N 0.236 109.198 108.800 0.270 0.000 2.205 593 G HA2 -0.284 3.683 3.960 0.012 0.000 0.261 593 G HA3 -0.284 3.683 3.960 0.012 0.000 0.261 593 G C -0.056 174.979 174.900 0.225 0.000 0.980 593 G CA 0.162 45.386 45.100 0.207 0.000 0.632 593 G HN 0.444 nan 8.290 nan 0.000 0.533 594 D N 0.711 121.293 120.400 0.303 0.000 2.417 594 D HA 0.470 5.117 4.640 0.012 0.000 0.250 594 D C 0.153 176.577 176.300 0.206 0.000 1.166 594 D CA 1.038 55.206 54.000 0.279 0.000 0.881 594 D CB 1.461 42.493 40.800 0.388 0.000 1.164 594 D HN 0.574 nan 8.370 nan 0.000 0.467 595 T N 0.962 115.605 114.554 0.149 0.000 3.047 595 T HA 0.436 4.793 4.350 0.012 0.000 0.340 595 T C -2.866 171.874 174.700 0.067 0.000 1.421 595 T CA -1.166 60.994 62.100 0.100 0.000 1.090 595 T CB 1.259 70.186 68.868 0.099 0.000 1.292 595 T HN 0.212 nan 8.240 nan 0.000 0.480 596 P HA 0.522 nan 4.420 nan 0.000 0.272 596 P C -0.947 176.345 177.300 -0.014 0.000 1.240 596 P CA -0.293 62.807 63.100 0.000 0.000 0.791 596 P CB 0.333 32.007 31.700 -0.043 0.000 0.978 597 N N -1.851 116.835 118.700 -0.022 0.000 2.825 597 N HA 0.272 5.019 4.740 0.012 0.000 0.253 597 N C -1.189 174.273 175.510 -0.080 0.000 1.426 597 N CA -0.744 52.273 53.050 -0.056 0.000 0.851 597 N CB 0.736 39.283 38.487 0.101 0.000 1.470 597 N HN 0.059 nan 8.380 nan 0.000 0.517 598 D N 0.076 120.395 120.400 -0.135 0.000 2.643 598 D HA 0.210 4.857 4.640 0.012 0.000 0.244 598 D C 0.241 176.706 176.300 0.274 0.000 1.257 598 D CA -0.235 53.758 54.000 -0.010 0.000 0.831 598 D CB 0.112 40.797 40.800 -0.192 0.000 1.043 598 D HN 0.410 nan 8.370 nan 0.000 0.488 599 R N 0.962 121.636 120.500 0.291 0.000 3.657 599 R HA -0.254 4.093 4.340 0.012 0.000 0.533 599 R C 1.545 177.860 176.300 0.026 0.000 0.241 599 R CA 1.459 57.722 56.100 0.272 0.000 1.659 599 R CB -1.598 28.765 30.300 0.105 0.000 0.920 599 R HN 0.321 nan 8.270 nan 0.000 0.599 600 Q N 1.420 120.959 119.800 -0.435 0.000 2.482 600 Q HA -0.034 4.313 4.340 0.012 0.000 0.209 600 Q C 1.737 177.526 176.000 -0.353 0.000 0.961 600 Q CA 1.161 56.513 55.803 -0.752 0.000 0.945 600 Q CB -0.248 27.846 28.738 -1.074 0.000 1.012 600 Q HN 0.543 nan 8.270 nan 0.000 0.515 601 F N 2.199 122.015 119.950 -0.223 0.000 2.449 601 F HA -0.145 4.389 4.527 0.011 0.000 0.299 601 F C 1.873 177.550 175.800 -0.205 0.000 1.092 601 F CA 0.996 58.939 58.000 -0.094 0.000 1.446 601 F CB 0.025 39.060 39.000 0.058 0.000 1.084 601 F HN 0.420 nan 8.300 nan 0.000 0.567 602 C N -1.092 117.821 119.300 -0.646 0.000 2.576 602 C HA 0.259 4.726 4.460 0.012 0.000 0.267 602 C C 0.978 175.690 174.990 -0.463 0.000 1.364 602 C CA -0.522 58.006 59.018 -0.817 0.000 1.723 602 C CB -1.871 24.986 27.740 -1.471 0.000 1.778 602 C HN 0.216 nan 8.230 nan 0.000 0.572 603 M N 2.683 122.055 119.600 -0.381 0.000 2.060 603 M HA 0.274 4.761 4.480 0.012 0.000 0.342 603 M C -0.442 175.675 176.300 -0.306 0.000 1.031 603 M CA 0.338 55.477 55.300 -0.268 0.000 0.981 603 M CB 0.073 32.591 32.600 -0.136 0.000 1.376 603 M HN 0.366 nan 8.290 nan 0.000 0.397 604 N N 0.900 119.399 118.700 -0.335 0.000 2.305 604 N HA 0.205 4.952 4.740 0.012 0.000 0.248 604 N C 0.295 175.535 175.510 -0.450 0.000 1.290 604 N CA -0.529 52.284 53.050 -0.395 0.000 0.873 604 N CB 1.216 39.493 38.487 -0.351 0.000 1.261 604 N HN 0.645 nan 8.380 nan 0.000 0.504 605 G N -0.057 108.444 108.800 -0.498 0.000 2.504 605 G HA2 0.364 4.331 3.960 0.012 0.000 0.288 605 G HA3 0.364 4.331 3.960 0.012 0.000 0.288 605 G C 0.709 175.093 174.900 -0.860 0.000 1.182 605 G CA -0.565 44.147 45.100 -0.645 0.000 0.894 605 G HN 0.105 nan 8.290 nan 0.000 0.521 606 L N -0.224 120.529 121.223 -0.783 0.000 2.313 606 L HA 0.112 4.459 4.340 0.012 0.000 0.214 606 L C 0.963 177.235 176.870 -0.997 0.000 1.119 606 L CA 0.406 54.805 54.840 -0.734 0.000 0.809 606 L CB -0.382 41.391 42.059 -0.476 0.000 0.933 606 L HN 0.387 nan 8.230 nan 0.000 0.449 607 V N -4.980 114.226 119.914 -1.180 0.000 3.001 607 V HA 0.467 4.594 4.120 0.012 0.000 0.314 607 V C -0.217 175.385 176.094 -0.819 0.000 1.099 607 V CA -1.291 60.448 62.300 -0.936 0.000 0.989 607 V CB 1.635 32.943 31.823 -0.858 0.000 1.040 607 V HN -0.139 nan 8.190 nan 0.000 0.434 608 F N 1.609 121.435 119.950 -0.206 0.000 2.485 608 F HA 0.514 5.048 4.527 0.012 0.000 0.327 608 F C 1.957 177.684 175.800 -0.122 0.000 1.203 608 F CA 0.660 58.648 58.000 -0.020 0.000 1.295 608 F CB 0.926 39.944 39.000 0.030 0.000 1.191 608 F HN 0.795 nan 8.300 nan 0.000 0.588 609 A N 0.858 123.763 122.820 0.140 0.000 2.032 609 A HA -0.226 4.101 4.320 0.012 0.000 0.221 609 A C 1.641 179.208 177.584 -0.029 0.000 1.165 609 A CA 1.887 53.961 52.037 0.061 0.000 0.645 609 A CB -0.903 18.171 19.000 0.123 0.000 0.807 609 A HN 0.791 nan 8.150 nan 0.000 0.453 610 D N -2.849 117.551 120.400 -0.000 0.000 2.328 610 D HA 0.126 4.773 4.640 0.012 0.000 0.226 610 D C 0.618 176.913 176.300 -0.009 0.000 1.066 610 D CA -0.011 53.963 54.000 -0.044 0.000 0.861 610 D CB -0.121 40.656 40.800 -0.039 0.000 0.912 610 D HN 0.197 nan 8.370 nan 0.000 0.521 611 R N -1.734 118.761 120.500 -0.009 0.000 3.892 611 R HA -0.118 4.229 4.340 0.012 0.000 0.441 611 R C -0.314 175.990 176.300 0.007 0.000 1.052 611 R CA 1.054 57.137 56.100 -0.028 0.000 1.190 611 R CB -3.196 27.123 30.300 0.032 0.000 1.808 611 R HN 0.235 nan 8.270 nan 0.000 0.538 612 T N 2.273 116.883 114.554 0.092 0.000 2.884 612 T HA 0.384 4.741 4.350 0.012 0.000 0.298 612 T C -2.272 172.545 174.700 0.194 0.000 0.998 612 T CA -0.864 61.320 62.100 0.140 0.000 1.124 612 T CB 1.140 70.106 68.868 0.163 0.000 0.931 612 T HN -0.101 nan 8.240 nan 0.000 0.531 613 P HA 0.226 nan 4.420 nan 0.000 0.276 613 P C -0.145 177.223 177.300 0.114 0.000 1.244 613 P CA -0.369 62.739 63.100 0.014 0.000 0.801 613 P CB 0.514 32.215 31.700 0.002 0.000 1.006 614 H N 1.603 120.505 119.070 -0.279 0.000 2.508 614 H HA 0.138 4.701 4.556 0.012 0.000 0.358 614 H C -1.350 173.888 175.328 -0.150 0.000 1.212 614 H CA -1.942 53.923 56.048 -0.305 0.000 1.356 614 H CB 0.554 30.086 29.762 -0.384 0.000 1.525 614 H HN 0.313 nan 8.280 nan 0.000 0.578 615 P HA -0.129 nan 4.420 nan 0.000 0.218 615 P C 1.128 178.434 177.300 0.010 0.000 1.149 615 P CA 1.321 64.418 63.100 -0.005 0.000 0.817 615 P CB 0.048 31.737 31.700 -0.017 0.000 0.785 616 A N -0.445 122.383 122.820 0.013 0.000 2.076 616 A HA -0.183 4.144 4.320 0.012 0.000 0.220 616 A C 2.063 179.604 177.584 -0.072 0.000 1.160 616 A CA 1.223 53.231 52.037 -0.050 0.000 0.653 616 A CB -1.615 17.322 19.000 -0.105 0.000 0.801 616 A HN 0.172 nan 8.150 nan 0.000 0.455 617 L N -0.524 120.672 121.223 -0.045 0.000 2.042 617 L HA -0.146 4.201 4.340 0.012 0.000 0.210 617 L C 2.512 179.431 176.870 0.082 0.000 1.076 617 L CA 2.801 57.645 54.840 0.007 0.000 0.749 617 L CB -1.038 41.013 42.059 -0.013 0.000 0.893 617 L HN 0.375 nan 8.230 nan 0.000 0.432 618 T N -1.626 112.985 114.554 0.095 0.000 2.833 618 T HA -0.217 4.140 4.350 0.012 0.000 0.269 618 T C 1.809 176.633 174.700 0.206 0.000 1.054 618 T CA 1.516 63.732 62.100 0.193 0.000 1.135 618 T CB -0.175 68.782 68.868 0.148 0.000 0.869 618 T HN 0.503 nan 8.240 nan 0.000 0.466 619 E N 0.759 121.020 120.200 0.102 0.000 2.077 619 E HA 0.049 4.406 4.350 0.012 0.000 0.193 619 E C 2.214 178.849 176.600 0.058 0.000 0.989 619 E CA 1.414 57.876 56.400 0.104 0.000 0.800 619 E CB -0.661 29.066 29.700 0.044 0.000 0.746 619 E HN 0.540 nan 8.360 nan 0.000 0.452 620 A N 0.906 123.654 122.820 -0.120 0.000 1.902 620 A HA -0.227 4.100 4.320 0.012 0.000 0.217 620 A C 2.155 179.657 177.584 -0.137 0.000 1.181 620 A CA 1.937 53.873 52.037 -0.168 0.000 0.623 620 A CB -0.624 18.245 19.000 -0.218 0.000 0.818 620 A HN 0.266 nan 8.150 nan 0.000 0.443 621 K N -1.159 119.227 120.400 -0.024 0.000 2.032 621 K HA -0.293 4.034 4.320 0.012 0.000 0.209 621 K C 2.061 178.566 176.600 -0.158 0.000 1.048 621 K CA 2.073 58.352 56.287 -0.013 0.000 0.927 621 K CB -0.358 32.288 32.500 0.242 0.000 0.712 621 K HN 0.647 nan 8.250 nan 0.000 0.441 622 H N 0.173 119.078 119.070 -0.276 0.000 2.357 622 H HA -0.006 4.557 4.556 0.012 0.000 0.301 622 H C 1.915 176.977 175.328 -0.444 0.000 1.082 622 H CA 1.701 57.401 56.048 -0.580 0.000 1.342 622 H CB 0.114 29.543 29.762 -0.555 0.000 1.389 622 H HN 0.235 nan 8.280 nan 0.000 0.511 623 Q N 0.231 119.802 119.800 -0.383 0.000 2.291 623 Q HA -0.078 4.269 4.340 0.012 0.000 0.205 623 Q C 1.396 176.864 176.000 -0.886 0.000 0.970 623 Q CA 1.071 56.553 55.803 -0.536 0.000 0.876 623 Q CB 0.092 28.657 28.738 -0.288 0.000 0.935 623 Q HN 0.710 nan 8.270 nan 0.000 0.455 624 Q N 0.117 119.355 119.800 -0.936 0.000 2.280 624 Q HA 0.080 4.427 4.340 0.012 0.000 0.202 624 Q C -0.146 175.311 176.000 -0.906 0.000 0.903 624 Q CA -0.207 54.890 55.803 -1.178 0.000 0.948 624 Q CB 0.329 28.408 28.738 -1.099 0.000 1.058 624 Q HN 0.363 nan 8.270 nan 0.000 0.493 625 Q N -0.437 118.974 119.800 -0.648 0.000 2.386 625 Q HA -0.041 4.306 4.340 0.012 0.000 0.282 625 Q C -0.113 175.536 176.000 -0.585 0.000 1.050 625 Q CA 0.408 55.959 55.803 -0.420 0.000 0.918 625 Q CB 0.462 29.032 28.738 -0.281 0.000 1.266 625 Q HN 0.318 nan 8.270 nan 0.000 0.423 626 F N 0.447 120.176 119.950 -0.368 0.000 2.727 626 F HA 0.209 4.743 4.527 0.011 0.000 0.302 626 F C -0.123 175.110 175.800 -0.945 0.000 1.097 626 F CA 0.033 57.580 58.000 -0.755 0.000 1.330 626 F CB 0.560 38.838 39.000 -1.204 0.000 1.084 626 F HN 0.321 nan 8.300 nan 0.000 0.578 627 F N 0.372 120.237 119.950 -0.141 0.000 2.529 627 F HA 0.456 4.991 4.527 0.012 0.000 0.320 627 F C -0.115 175.336 175.800 -0.581 0.000 1.118 627 F CA -1.084 56.727 58.000 -0.315 0.000 0.915 627 F CB 1.310 40.153 39.000 -0.262 0.000 1.161 627 F HN -0.325 nan 8.300 nan 0.000 0.445 628 Q N 3.150 122.684 119.800 -0.444 0.000 2.266 628 Q HA 0.587 4.934 4.340 0.012 0.000 0.261 628 Q C -1.346 174.342 176.000 -0.520 0.000 0.985 628 Q CA -0.637 54.940 55.803 -0.376 0.000 0.873 628 Q CB 2.860 31.510 28.738 -0.147 0.000 1.306 628 Q HN 0.547 nan 8.270 nan 0.000 0.447 629 F N 0.080 120.158 119.950 0.212 0.000 2.576 629 F HA 0.581 5.115 4.527 0.012 0.000 0.313 629 F C 0.335 176.379 175.800 0.406 0.000 1.078 629 F CA -0.869 57.334 58.000 0.339 0.000 0.921 629 F CB 2.038 41.377 39.000 0.566 0.000 1.232 629 F HN 0.119 nan 8.300 nan 0.000 0.459 630 R N 1.566 122.373 120.500 0.511 0.000 2.744 630 R HA 0.718 5.065 4.340 0.012 0.000 0.279 630 R C -1.967 174.384 176.300 0.085 0.000 0.977 630 R CA -1.268 55.049 56.100 0.361 0.000 0.906 630 R CB 3.016 33.429 30.300 0.189 0.000 1.197 630 R HN 0.569 nan 8.270 nan 0.000 0.463 631 L N 0.598 121.752 121.223 -0.115 0.000 2.356 631 L HA 0.486 4.833 4.340 0.012 0.000 0.277 631 L C -0.974 175.742 176.870 -0.257 0.000 0.996 631 L CA 0.041 54.581 54.840 -0.500 0.000 0.822 631 L CB 2.120 43.436 42.059 -1.239 0.000 1.256 631 L HN 0.514 nan 8.230 nan 0.000 0.413 632 S N 3.653 119.225 115.700 -0.214 0.000 2.774 632 S HA 0.686 5.163 4.470 0.012 0.000 0.297 632 S C 0.413 174.926 174.600 -0.146 0.000 1.143 632 S CA 0.192 58.312 58.200 -0.135 0.000 1.090 632 S CB 0.374 63.529 63.200 -0.076 0.000 1.019 632 S HN 1.431 nan 8.310 nan 0.000 0.482 633 G N 4.353 113.071 108.800 -0.137 0.000 2.629 633 G HA2 -0.277 3.690 3.960 0.012 0.000 0.313 633 G HA3 -0.277 3.690 3.960 0.012 0.000 0.313 633 G C 0.225 175.021 174.900 -0.173 0.000 1.217 633 G CA 0.516 45.539 45.100 -0.129 0.000 0.994 633 G HN 0.621 nan 8.290 nan 0.000 0.549 634 Q N 1.254 120.954 119.800 -0.166 0.000 2.188 634 Q HA 0.304 4.651 4.340 0.012 0.000 0.212 634 Q C 0.453 176.314 176.000 -0.231 0.000 0.846 634 Q CA 0.441 56.115 55.803 -0.214 0.000 0.989 634 Q CB 0.473 29.089 28.738 -0.204 0.000 1.114 634 Q HN 0.482 nan 8.270 nan 0.000 0.488 635 T N 1.196 115.632 114.554 -0.196 0.000 2.744 635 T HA 0.503 4.860 4.350 0.012 0.000 0.291 635 T C 0.261 174.845 174.700 -0.194 0.000 0.957 635 T CA -0.177 61.824 62.100 -0.166 0.000 1.002 635 T CB 0.622 69.423 68.868 -0.110 0.000 0.919 635 T HN 0.024 nan 8.240 nan 0.000 0.468 636 I N 3.075 123.538 120.570 -0.178 0.000 2.336 636 I HA 0.298 4.475 4.170 0.012 0.000 0.292 636 I C 0.563 176.678 176.117 -0.003 0.000 0.991 636 I CA -0.478 60.738 61.300 -0.140 0.000 1.227 636 I CB 1.267 39.193 38.000 -0.124 0.000 1.366 636 I HN 0.518 nan 8.210 nan 0.000 0.466 637 E N 6.535 126.770 120.200 0.058 0.000 2.113 637 E HA 0.421 4.778 4.350 0.012 0.000 0.273 637 E C -1.499 175.201 176.600 0.167 0.000 0.924 637 E CA -0.606 55.847 56.400 0.088 0.000 0.764 637 E CB 1.464 31.201 29.700 0.060 0.000 1.104 637 E HN 0.355 nan 8.360 nan 0.000 0.406 638 V N 4.229 124.222 119.914 0.131 0.000 2.370 638 V HA 0.303 4.430 4.120 0.012 0.000 0.279 638 V C 0.038 176.150 176.094 0.029 0.000 1.029 638 V CA -0.511 61.831 62.300 0.070 0.000 0.870 638 V CB 1.578 33.469 31.823 0.114 0.000 0.984 638 V HN 0.680 nan 8.190 nan 0.000 0.451 639 T N 3.418 117.950 114.554 -0.036 0.000 2.807 639 T HA 0.349 4.706 4.350 0.012 0.000 0.279 639 T C -0.024 174.676 174.700 0.002 0.000 0.993 639 T CA -0.260 61.835 62.100 -0.009 0.000 0.970 639 T CB 1.563 70.408 68.868 -0.038 0.000 0.950 639 T HN 0.679 nan 8.240 nan 0.000 0.441 640 S N 1.754 117.468 115.700 0.022 0.000 2.525 640 S HA 0.233 4.710 4.470 0.012 0.000 0.278 640 S C 0.777 175.258 174.600 -0.198 0.000 1.234 640 S CA -0.550 57.590 58.200 -0.100 0.000 1.058 640 S CB 0.669 63.888 63.200 0.031 0.000 0.983 640 S HN 0.734 nan 8.310 nan 0.000 0.495 641 E N 2.744 122.718 120.200 -0.376 0.000 2.481 641 E HA 0.101 4.458 4.350 0.012 0.000 0.198 641 E C -0.734 175.700 176.600 -0.277 0.000 1.027 641 E CA -0.119 56.102 56.400 -0.299 0.000 0.900 641 E CB 0.277 29.783 29.700 -0.323 0.000 0.993 641 E HN 0.704 nan 8.360 nan 0.000 0.482 642 Y N 0.633 120.810 120.300 -0.205 0.000 2.497 642 Y HA -0.049 4.507 4.550 0.011 0.000 0.334 642 Y C 1.454 177.195 175.900 -0.265 0.000 1.199 642 Y CA 0.114 58.096 58.100 -0.197 0.000 1.425 642 Y CB 0.682 39.013 38.460 -0.216 0.000 1.291 642 Y HN -0.012 nan 8.280 nan 0.000 0.562 643 L N 1.536 122.592 121.223 -0.279 0.000 2.354 643 L HA 0.023 4.370 4.340 0.012 0.000 0.212 643 L C 0.699 177.103 176.870 -0.776 0.000 1.091 643 L CA 0.743 55.157 54.840 -0.709 0.000 0.828 643 L CB -0.041 41.143 42.059 -1.458 0.000 0.973 643 L HN 0.655 nan 8.230 nan 0.000 0.461 644 F N -0.551 119.421 119.950 0.038 0.000 2.699 644 F HA 0.205 4.739 4.527 0.011 0.000 0.295 644 F C 1.278 177.064 175.800 -0.022 0.000 1.052 644 F CA -0.762 57.230 58.000 -0.013 0.000 1.239 644 F CB 0.273 39.240 39.000 -0.054 0.000 1.018 644 F HN -0.136 nan 8.300 nan 0.000 0.627 645 R N 0.163 120.703 120.500 0.066 0.000 2.643 645 R HA 0.468 4.815 4.340 0.012 0.000 0.272 645 R C -1.032 175.267 176.300 -0.001 0.000 0.995 645 R CA -0.681 55.409 56.100 -0.017 0.000 1.032 645 R CB 0.893 31.083 30.300 -0.183 0.000 1.126 645 R HN 0.050 nan 8.270 nan 0.000 0.505 646 H N 0.263 119.315 119.070 -0.029 0.000 2.546 646 H HA 0.112 4.675 4.556 0.011 0.000 0.365 646 H C -0.056 175.286 175.328 0.024 0.000 1.220 646 H CA 0.234 56.296 56.048 0.023 0.000 1.386 646 H CB 1.231 31.012 29.762 0.032 0.000 1.510 646 H HN 0.739 nan 8.280 nan 0.000 0.591 647 S N 1.640 117.238 115.700 -0.171 0.000 4.183 647 S HA -0.008 4.469 4.470 0.012 0.000 0.195 647 S C 0.053 174.722 174.600 0.115 0.000 1.421 647 S CA -0.250 57.984 58.200 0.057 0.000 0.920 647 S CB -0.752 62.524 63.200 0.127 0.000 1.525 647 S HN 0.708 nan 8.310 nan 0.000 0.447 648 D N 0.639 121.120 120.400 0.136 0.000 2.336 648 D HA 0.022 4.669 4.640 0.012 0.000 0.229 648 D C 0.353 176.703 176.300 0.083 0.000 1.061 648 D CA -0.035 54.046 54.000 0.135 0.000 0.875 648 D CB -0.281 40.588 40.800 0.115 0.000 0.904 648 D HN 0.485 nan 8.370 nan 0.000 0.525 649 N N 0.023 118.772 118.700 0.080 0.000 2.651 649 N HA 0.186 4.933 4.740 0.012 0.000 0.277 649 N C -1.629 173.937 175.510 0.092 0.000 1.787 649 N CA -0.226 52.865 53.050 0.070 0.000 0.818 649 N CB 0.310 38.827 38.487 0.050 0.000 1.316 649 N HN -0.052 nan 8.380 nan 0.000 0.503 650 E N -0.141 120.105 120.200 0.077 0.000 2.354 650 E HA 0.500 4.857 4.350 0.012 0.000 0.283 650 E C -1.529 175.095 176.600 0.041 0.000 0.938 650 E CA -0.719 55.717 56.400 0.060 0.000 0.777 650 E CB 2.032 31.733 29.700 0.000 0.000 1.222 650 E HN 0.296 nan 8.360 nan 0.000 0.423 651 L N 0.089 121.346 121.223 0.056 0.000 2.371 651 L HA 0.765 5.112 4.340 0.012 0.000 0.262 651 L C -1.662 175.265 176.870 0.095 0.000 1.006 651 L CA -1.063 53.819 54.840 0.070 0.000 0.818 651 L CB 1.266 43.375 42.059 0.083 0.000 1.354 651 L HN 0.489 nan 8.230 nan 0.000 0.415 652 L N 2.815 124.106 121.223 0.114 0.000 2.272 652 L HA 0.506 4.853 4.340 0.012 0.000 0.289 652 L C -0.705 176.291 176.870 0.211 0.000 1.032 652 L CA 0.156 55.099 54.840 0.171 0.000 0.810 652 L CB 0.438 42.604 42.059 0.179 0.000 1.205 652 L HN 0.751 nan 8.230 nan 0.000 0.422 653 H N 5.956 125.115 119.070 0.149 0.000 2.457 653 H HA 0.400 4.962 4.556 0.012 0.000 0.335 653 H C -1.520 173.910 175.328 0.170 0.000 1.115 653 H CA -0.428 55.677 56.048 0.095 0.000 1.219 653 H CB 1.066 30.837 29.762 0.014 0.000 1.471 653 H HN 0.744 nan 8.280 nan 0.000 0.491 654 W N 5.161 126.419 121.300 -0.069 0.000 2.950 654 W HA 0.542 5.209 4.660 0.012 0.000 0.340 654 W C -1.865 174.713 176.519 0.099 0.000 1.139 654 W CA -1.407 55.980 57.345 0.070 0.000 1.188 654 W CB 1.210 30.681 29.460 0.018 0.000 1.426 654 W HN 0.576 nan 8.180 nan 0.000 0.531 655 M N 3.251 123.020 119.600 0.281 0.000 2.371 655 M HA 0.580 5.067 4.480 0.012 0.000 0.287 655 M C -2.435 174.045 176.300 0.299 0.000 1.149 655 M CA -0.339 55.021 55.300 0.100 0.000 0.929 655 M CB 2.235 34.876 32.600 0.069 0.000 1.683 655 M HN 0.181 nan 8.290 nan 0.000 0.470 656 V N 3.725 123.802 119.914 0.272 0.000 2.459 656 V HA 1.017 5.144 4.120 0.012 0.000 0.295 656 V C -0.316 175.881 176.094 0.173 0.000 1.029 656 V CA -0.268 62.197 62.300 0.273 0.000 0.874 656 V CB 1.207 33.214 31.823 0.307 0.000 0.985 656 V HN 1.026 nan 8.190 nan 0.000 0.438 657 A N 4.298 127.230 122.820 0.187 0.000 2.515 657 A HA 0.882 5.209 4.320 0.012 0.000 0.298 657 A C -1.514 176.176 177.584 0.176 0.000 1.059 657 A CA -0.601 51.513 52.037 0.129 0.000 0.698 657 A CB 1.770 20.810 19.000 0.067 0.000 1.289 657 A HN 0.896 nan 8.150 nan 0.000 0.404 658 L N 1.352 122.652 121.223 0.128 0.000 2.280 658 L HA 0.565 4.912 4.340 0.012 0.000 0.287 658 L C -0.569 176.393 176.870 0.154 0.000 1.023 658 L CA 0.221 55.152 54.840 0.152 0.000 0.819 658 L CB 0.555 42.673 42.059 0.097 0.000 1.212 658 L HN 0.746 nan 8.230 nan 0.000 0.420 659 D N 4.964 125.518 120.400 0.257 0.000 2.720 659 D HA -0.207 4.440 4.640 0.012 0.000 0.229 659 D C 1.182 177.533 176.300 0.085 0.000 1.198 659 D CA 1.564 55.721 54.000 0.261 0.000 0.639 659 D CB -0.948 39.964 40.800 0.187 0.000 1.003 659 D HN 1.202 nan 8.370 nan 0.000 0.411 660 G N -0.604 108.205 108.800 0.016 0.000 2.199 660 G HA2 -0.367 3.600 3.960 0.012 0.000 0.254 660 G HA3 -0.367 3.600 3.960 0.012 0.000 0.254 660 G C 0.261 175.091 174.900 -0.115 0.000 0.982 660 G CA 0.524 45.529 45.100 -0.158 0.000 0.632 660 G HN 0.492 nan 8.290 nan 0.000 0.529 661 K N 1.877 122.257 120.400 -0.033 0.000 2.263 661 K HA 0.467 4.794 4.320 0.012 0.000 0.272 661 K C -2.657 173.938 176.600 -0.009 0.000 1.033 661 K CA -2.006 54.263 56.287 -0.031 0.000 0.884 661 K CB 1.856 34.352 32.500 -0.006 0.000 1.107 661 K HN 0.029 nan 8.250 nan 0.000 0.460 662 P HA -0.022 nan 4.420 nan 0.000 0.263 662 P C -0.073 177.226 177.300 -0.001 0.000 1.195 662 P CA 0.276 63.361 63.100 -0.025 0.000 0.762 662 P CB 0.616 32.283 31.700 -0.056 0.000 0.799 663 L N 1.633 122.870 121.223 0.025 0.000 2.653 663 L HA 0.498 4.845 4.340 0.012 0.000 0.230 663 L C 0.875 177.767 176.870 0.037 0.000 1.055 663 L CA 0.295 55.158 54.840 0.038 0.000 0.880 663 L CB 0.235 42.334 42.059 0.067 0.000 1.195 663 L HN 0.382 nan 8.230 nan 0.000 0.492 664 A N -0.126 122.713 122.820 0.032 0.000 2.597 664 A HA 0.654 4.981 4.320 0.012 0.000 0.292 664 A C -1.081 176.363 177.584 -0.232 0.000 1.057 664 A CA 0.000 52.035 52.037 -0.004 0.000 0.674 664 A CB 1.479 20.582 19.000 0.171 0.000 1.278 664 A HN 0.067 nan 8.150 nan 0.000 0.416 665 S N -0.496 114.844 115.700 -0.600 0.000 2.565 665 S HA 0.887 5.364 4.470 0.012 0.000 0.274 665 S C -0.330 173.430 174.600 -1.399 0.000 1.144 665 S CA -0.032 57.409 58.200 -1.265 0.000 0.849 665 S CB 0.952 63.823 63.200 -0.549 0.000 1.103 665 S HN 2.532 nan 8.310 nan 0.000 0.455 666 G N 0.100 107.554 108.800 -2.243 0.000 2.687 666 G HA2 0.711 4.678 3.960 0.012 0.000 0.291 666 G HA3 0.711 4.678 3.960 0.012 0.000 0.291 666 G C -2.018 172.327 174.900 -0.926 0.000 1.420 666 G CA -0.702 43.777 45.100 -1.034 0.000 0.796 666 G HN 0.791 nan 8.290 nan 0.000 0.485 667 E N -1.326 118.737 120.200 -0.228 0.000 2.340 667 E HA 0.629 4.986 4.350 0.012 0.000 0.273 667 E C -1.496 175.167 176.600 0.105 0.000 0.891 667 E CA -0.666 55.670 56.400 -0.105 0.000 0.757 667 E CB 3.179 32.813 29.700 -0.110 0.000 1.231 667 E HN 0.285 nan 8.360 nan 0.000 0.439 668 V N 3.100 123.089 119.914 0.126 0.000 2.888 668 V HA 0.404 4.531 4.120 0.012 0.000 0.309 668 V C -2.487 173.658 176.094 0.085 0.000 1.114 668 V CA -1.784 60.581 62.300 0.107 0.000 0.940 668 V CB 2.107 33.999 31.823 0.115 0.000 1.021 668 V HN 0.592 nan 8.190 nan 0.000 0.426 669 P HA 0.311 nan 4.420 nan 0.000 0.275 669 P C -0.917 176.418 177.300 0.058 0.000 1.227 669 P CA -0.188 62.950 63.100 0.063 0.000 0.781 669 P CB 0.910 32.647 31.700 0.062 0.000 0.906 670 L N 3.199 124.447 121.223 0.041 0.000 2.264 670 L HA 0.306 4.653 4.340 0.012 0.000 0.289 670 L C 0.504 177.395 176.870 0.034 0.000 1.044 670 L CA 0.210 55.056 54.840 0.010 0.000 0.807 670 L CB 0.744 42.756 42.059 -0.079 0.000 1.192 670 L HN 0.326 nan 8.230 nan 0.000 0.425 671 D N 3.887 124.318 120.400 0.051 0.000 2.443 671 D HA 0.200 4.847 4.640 0.012 0.000 0.281 671 D C -1.357 174.939 176.300 -0.007 0.000 1.210 671 D CA 0.089 54.169 54.000 0.132 0.000 0.875 671 D CB 1.727 42.666 40.800 0.232 0.000 1.125 671 D HN 0.161 nan 8.370 nan 0.000 0.503 672 V N 1.239 120.971 119.914 -0.304 0.000 2.604 672 V HA 0.814 4.941 4.120 0.012 0.000 0.305 672 V C -0.387 175.432 176.094 -0.459 0.000 1.043 672 V CA -0.444 61.741 62.300 -0.193 0.000 0.888 672 V CB 1.650 33.484 31.823 0.019 0.000 0.995 672 V HN 0.400 nan 8.190 nan 0.000 0.429 673 A N 8.149 130.894 122.820 -0.125 0.000 2.287 673 A HA 0.811 5.138 4.320 0.012 0.000 0.273 673 A C -2.523 175.080 177.584 0.031 0.000 1.091 673 A CA -1.631 50.439 52.037 0.055 0.000 0.817 673 A CB 0.150 19.274 19.000 0.206 0.000 1.069 673 A HN 0.751 nan 8.150 nan 0.000 0.492 674 P HA 0.023 nan 4.420 nan 0.000 0.264 674 P C -0.532 176.766 177.300 -0.003 0.000 1.193 674 P CA 0.619 63.734 63.100 0.025 0.000 0.763 674 P CB 0.611 32.309 31.700 -0.003 0.000 0.810 675 Q N -0.979 118.803 119.800 -0.030 0.000 2.362 675 Q HA -0.172 4.175 4.340 0.012 0.000 0.220 675 Q C 0.798 176.792 176.000 -0.010 0.000 0.713 675 Q CA 1.818 57.596 55.803 -0.041 0.000 1.345 675 Q CB -2.553 26.156 28.738 -0.048 0.000 1.570 675 Q HN 0.758 nan 8.270 nan 0.000 0.701 676 G N 0.283 109.091 108.800 0.014 0.000 2.543 676 G HA2 0.532 4.499 3.960 0.012 0.000 0.290 676 G HA3 0.532 4.499 3.960 0.012 0.000 0.290 676 G C -0.269 174.650 174.900 0.031 0.000 1.310 676 G CA -0.513 44.604 45.100 0.029 0.000 1.025 676 G HN 0.009 nan 8.290 nan 0.000 0.502 677 K N -0.688 119.735 120.400 0.038 0.000 2.426 677 K HA 0.438 4.765 4.320 0.012 0.000 0.251 677 K C -0.986 175.642 176.600 0.047 0.000 0.941 677 K CA -0.569 55.742 56.287 0.040 0.000 0.808 677 K CB 2.647 35.165 32.500 0.029 0.000 1.265 677 K HN 0.520 nan 8.250 nan 0.000 0.432 678 Q N 2.847 122.678 119.800 0.052 0.000 2.323 678 Q HA 0.427 4.774 4.340 0.012 0.000 0.271 678 Q C -1.540 174.486 176.000 0.044 0.000 1.048 678 Q CA -0.698 55.135 55.803 0.050 0.000 0.792 678 Q CB 1.414 30.184 28.738 0.054 0.000 1.280 678 Q HN 0.516 nan 8.270 nan 0.000 0.441 679 L N 5.192 126.432 121.223 0.028 0.000 2.282 679 L HA 0.552 4.899 4.340 0.012 0.000 0.288 679 L C -0.549 176.318 176.870 -0.005 0.000 1.033 679 L CA -0.638 54.207 54.840 0.009 0.000 0.807 679 L CB 1.187 43.243 42.059 -0.003 0.000 1.209 679 L HN 0.615 nan 8.230 nan 0.000 0.423 680 I N 2.859 123.414 120.570 -0.026 0.000 2.439 680 I HA 0.230 4.408 4.170 0.012 0.000 0.285 680 I C -0.608 175.438 176.117 -0.118 0.000 1.021 680 I CA -0.592 60.675 61.300 -0.056 0.000 1.091 680 I CB 2.229 40.207 38.000 -0.037 0.000 1.242 680 I HN 0.523 nan 8.210 nan 0.000 0.439 681 E N 6.271 126.398 120.200 -0.121 0.000 2.115 681 E HA 0.411 4.768 4.350 0.012 0.000 0.282 681 E C -0.646 175.819 176.600 -0.224 0.000 0.987 681 E CA -0.321 55.986 56.400 -0.154 0.000 0.797 681 E CB 1.173 30.809 29.700 -0.106 0.000 1.086 681 E HN 0.416 nan 8.360 nan 0.000 0.397 682 L N 5.173 126.202 121.223 -0.323 0.000 2.439 682 L HA 0.255 4.602 4.340 0.012 0.000 0.269 682 L C -1.715 174.955 176.870 -0.333 0.000 1.179 682 L CA -1.767 52.772 54.840 -0.503 0.000 0.828 682 L CB 0.269 41.987 42.059 -0.568 0.000 1.106 682 L HN 0.364 nan 8.230 nan 0.000 0.467 683 P HA -0.026 nan 4.420 nan 0.000 0.271 683 P C -0.533 176.709 177.300 -0.096 0.000 1.244 683 P CA -0.408 62.618 63.100 -0.122 0.000 0.793 683 P CB 0.339 32.044 31.700 0.008 0.000 0.984 684 E N 1.049 121.226 120.200 -0.038 0.000 2.415 684 E HA 0.071 4.428 4.350 0.012 0.000 0.260 684 E C -1.034 175.568 176.600 0.003 0.000 1.016 684 E CA -0.017 56.368 56.400 -0.024 0.000 0.924 684 E CB -0.135 29.560 29.700 -0.009 0.000 0.961 684 E HN 0.210 nan 8.360 nan 0.000 0.459 685 L N 5.249 126.469 121.223 -0.004 0.000 2.329 685 L HA 0.509 4.856 4.340 0.012 0.000 0.279 685 L C -2.254 174.633 176.870 0.028 0.000 1.014 685 L CA -2.510 52.351 54.840 0.035 0.000 0.814 685 L CB 1.104 43.197 42.059 0.056 0.000 1.257 685 L HN 0.373 nan 8.230 nan 0.000 0.424 686 P HA 0.133 nan 4.420 nan 0.000 0.266 686 P C -1.025 176.293 177.300 0.029 0.000 1.215 686 P CA -0.238 62.881 63.100 0.032 0.000 0.763 686 P CB 0.543 32.265 31.700 0.038 0.000 0.806 687 Q N 4.472 124.282 119.800 0.018 0.000 2.340 687 Q HA 0.466 4.814 4.340 0.012 0.000 0.249 687 Q C -1.895 174.116 176.000 0.019 0.000 0.957 687 Q CA -0.880 54.932 55.803 0.015 0.000 0.882 687 Q CB -0.218 28.524 28.738 0.006 0.000 1.235 687 Q HN 0.411 nan 8.270 nan 0.000 0.439 688 P HA 0.180 nan 4.420 nan 0.000 0.308 688 P C -0.848 176.464 177.300 0.020 0.000 1.457 688 P CA -0.672 62.443 63.100 0.024 0.000 1.041 688 P CB 1.574 33.294 31.700 0.032 0.000 1.101 689 E N 0.659 120.870 120.200 0.019 0.000 2.208 689 E HA -0.031 4.326 4.350 0.012 0.000 0.193 689 E C 0.742 177.355 176.600 0.020 0.000 0.988 689 E CA 0.070 56.480 56.400 0.017 0.000 0.828 689 E CB -0.076 29.632 29.700 0.014 0.000 0.763 689 E HN 0.313 nan 8.360 nan 0.000 0.478 690 S N 0.676 116.391 115.700 0.024 0.000 2.563 690 S HA 0.289 4.766 4.470 0.012 0.000 0.284 690 S C 0.255 174.874 174.600 0.033 0.000 1.331 690 S CA -0.093 58.124 58.200 0.028 0.000 1.047 690 S CB 0.605 63.823 63.200 0.030 0.000 0.859 690 S HN 0.404 nan 8.310 nan 0.000 0.514 691 A N 3.011 125.853 122.820 0.037 0.000 2.425 691 A HA 0.656 4.983 4.320 0.012 0.000 0.242 691 A C 0.939 178.556 177.584 0.054 0.000 1.077 691 A CA 0.363 52.425 52.037 0.042 0.000 0.781 691 A CB -0.682 18.345 19.000 0.046 0.000 1.020 691 A HN 1.990 nan 8.150 nan 0.000 0.494 692 G N -0.330 108.502 108.800 0.054 0.000 2.347 692 G HA2 0.419 4.386 3.960 0.012 0.000 0.477 692 G HA3 0.419 4.386 3.960 0.012 0.000 0.477 692 G C -1.028 173.905 174.900 0.055 0.000 1.349 692 G CA -0.221 44.923 45.100 0.074 0.000 1.000 692 G HN 1.175 nan 8.290 nan 0.000 0.605 693 Q N -0.179 119.669 119.800 0.079 0.000 2.303 693 Q HA 0.705 5.052 4.340 0.012 0.000 0.257 693 Q C -0.109 175.938 176.000 0.079 0.000 0.941 693 Q CA -0.550 55.258 55.803 0.010 0.000 0.931 693 Q CB 1.114 29.811 28.738 -0.070 0.000 1.215 693 Q HN 0.569 nan 8.270 nan 0.000 0.437 694 L N 4.374 125.594 121.223 -0.005 0.000 2.349 694 L HA 0.417 4.764 4.340 0.012 0.000 0.275 694 L C -0.782 176.091 176.870 0.005 0.000 1.115 694 L CA -0.320 54.563 54.840 0.070 0.000 0.820 694 L CB 0.618 42.694 42.059 0.030 0.000 1.135 694 L HN 0.684 nan 8.230 nan 0.000 0.445 695 W N 4.240 125.584 121.300 0.072 0.000 2.739 695 W HA 0.481 5.148 4.660 0.011 0.000 0.331 695 W C -0.797 175.819 176.519 0.161 0.000 1.049 695 W CA -0.511 56.898 57.345 0.107 0.000 1.234 695 W CB 1.666 31.200 29.460 0.123 0.000 1.404 695 W HN 0.125 nan 8.180 nan 0.000 0.477 696 L N 3.667 125.162 121.223 0.453 0.000 2.282 696 L HA 0.765 5.112 4.340 0.012 0.000 0.288 696 L C -0.269 176.908 176.870 0.511 0.000 1.033 696 L CA 0.290 55.390 54.840 0.433 0.000 0.807 696 L CB 1.180 43.453 42.059 0.357 0.000 1.209 696 L HN 0.322 nan 8.230 nan 0.000 0.423 697 T N 5.078 119.882 114.554 0.417 0.000 2.848 697 T HA 0.654 5.011 4.350 0.012 0.000 0.285 697 T C -0.786 174.120 174.700 0.342 0.000 0.995 697 T CA -0.431 61.878 62.100 0.348 0.000 0.970 697 T CB 1.568 70.574 68.868 0.230 0.000 0.976 697 T HN 0.607 nan 8.240 nan 0.000 0.441 698 V N 1.676 121.769 119.914 0.298 0.000 2.769 698 V HA 0.874 5.001 4.120 0.012 0.000 0.312 698 V C -0.803 175.398 176.094 0.179 0.000 1.061 698 V CA -1.166 61.280 62.300 0.243 0.000 0.931 698 V CB 1.920 33.840 31.823 0.161 0.000 1.010 698 V HN 0.816 nan 8.190 nan 0.000 0.433 699 R N 2.100 122.730 120.500 0.217 0.000 2.725 699 R HA 0.790 5.138 4.340 0.012 0.000 0.277 699 R C -1.579 174.867 176.300 0.244 0.000 0.987 699 R CA -0.751 55.497 56.100 0.246 0.000 0.901 699 R CB 2.674 33.083 30.300 0.181 0.000 1.207 699 R HN 0.682 nan 8.270 nan 0.000 0.463 700 V N 3.221 123.304 119.914 0.281 0.000 2.370 700 V HA 0.385 4.512 4.120 0.012 0.000 0.279 700 V C -0.372 175.837 176.094 0.193 0.000 1.029 700 V CA -0.567 61.861 62.300 0.214 0.000 0.870 700 V CB 1.556 33.496 31.823 0.194 0.000 0.984 700 V HN 0.433 nan 8.190 nan 0.000 0.451 701 V N 5.108 125.110 119.914 0.147 0.000 2.628 701 V HA 0.423 4.550 4.120 0.012 0.000 0.306 701 V C -0.273 175.895 176.094 0.123 0.000 1.045 701 V CA -0.783 61.590 62.300 0.122 0.000 0.905 701 V CB 2.049 33.928 31.823 0.094 0.000 0.997 701 V HN 0.871 nan 8.190 nan 0.000 0.436 702 Q N 5.363 125.244 119.800 0.136 0.000 2.390 702 Q HA 0.273 4.620 4.340 0.012 0.000 0.249 702 Q C -1.707 174.332 176.000 0.064 0.000 0.996 702 Q CA -1.802 54.069 55.803 0.113 0.000 0.899 702 Q CB 1.971 30.792 28.738 0.138 0.000 1.216 702 Q HN 0.484 nan 8.270 nan 0.000 0.465 703 P HA -0.173 nan 4.420 nan 0.000 0.217 703 P C -0.499 176.807 177.300 0.010 0.000 1.150 703 P CA 1.152 64.272 63.100 0.033 0.000 0.832 703 P CB 0.355 32.077 31.700 0.037 0.000 0.787 704 N N -0.474 118.224 118.700 -0.004 0.000 2.456 704 N HA 0.437 5.184 4.740 0.012 0.000 0.296 704 N C -0.211 175.255 175.510 -0.073 0.000 1.102 704 N CA -0.701 52.331 53.050 -0.030 0.000 0.924 704 N CB 1.005 39.477 38.487 -0.026 0.000 1.186 704 N HN -0.025 nan 8.380 nan 0.000 0.492 705 A N 0.660 123.431 122.820 -0.082 0.000 2.406 705 A HA 0.472 4.800 4.320 0.012 0.000 0.243 705 A C 0.589 178.061 177.584 -0.187 0.000 1.082 705 A CA -0.044 51.912 52.037 -0.135 0.000 0.786 705 A CB 0.048 18.994 19.000 -0.090 0.000 1.029 705 A HN 0.715 nan 8.150 nan 0.000 0.495 706 T N -3.309 111.058 114.554 -0.312 0.000 2.742 706 T HA 0.625 4.982 4.350 0.012 0.000 0.282 706 T C 0.843 175.398 174.700 -0.242 0.000 1.025 706 T CA 0.069 61.964 62.100 -0.342 0.000 1.020 706 T CB 1.120 69.514 68.868 -0.790 0.000 1.317 706 T HN 1.366 nan 8.240 nan 0.000 0.538 707 A N -0.170 122.592 122.820 -0.098 0.000 2.168 707 A HA 0.163 4.490 4.320 0.012 0.000 0.215 707 A C 1.564 179.265 177.584 0.195 0.000 1.152 707 A CA 0.742 52.808 52.037 0.048 0.000 0.716 707 A CB -0.833 18.204 19.000 0.061 0.000 0.794 707 A HN 0.896 nan 8.150 nan 0.000 0.465 708 W N -0.621 120.738 121.300 0.099 0.000 2.870 708 W HA 0.417 5.085 4.660 0.013 0.000 0.358 708 W C -0.191 176.312 176.519 -0.027 0.000 1.043 708 W CA 0.478 57.874 57.345 0.085 0.000 1.692 708 W CB -0.993 28.516 29.460 0.082 0.000 1.100 708 W HN 0.406 nan 8.180 nan 0.000 0.557 709 S N -0.116 115.190 115.700 -0.657 0.000 2.596 709 S HA 0.467 4.944 4.470 0.012 0.000 0.270 709 S C -1.186 173.199 174.600 -0.360 0.000 1.155 709 S CA -0.757 57.082 58.200 -0.603 0.000 0.827 709 S CB 2.728 65.195 63.200 -1.222 0.000 1.130 709 S HN 0.094 nan 8.310 nan 0.000 0.467 710 E N 0.528 120.622 120.200 -0.176 0.000 2.283 710 E HA 0.629 4.986 4.350 0.012 0.000 0.267 710 E C 0.198 176.770 176.600 -0.047 0.000 1.045 710 E CA -0.846 55.507 56.400 -0.078 0.000 0.884 710 E CB 1.354 31.052 29.700 -0.003 0.000 1.106 710 E HN 0.888 nan 8.360 nan 0.000 0.408 711 A N 1.055 123.853 122.820 -0.036 0.000 2.561 711 A HA 0.344 4.671 4.320 0.012 0.000 0.234 711 A C 1.191 178.787 177.584 0.021 0.000 1.055 711 A CA 0.852 52.881 52.037 -0.013 0.000 0.756 711 A CB -0.605 18.388 19.000 -0.012 0.000 0.986 711 A HN 0.854 nan 8.150 nan 0.000 0.505 712 G N 0.612 109.435 108.800 0.037 0.000 2.179 712 G HA2 -0.270 3.697 3.960 0.012 0.000 0.260 712 G HA3 -0.270 3.697 3.960 0.012 0.000 0.260 712 G C 0.244 175.187 174.900 0.072 0.000 0.977 712 G CA 0.833 45.958 45.100 0.042 0.000 0.641 712 G HN 1.878 nan 8.290 nan 0.000 0.533 713 H N 0.513 119.589 119.070 0.009 0.000 3.001 713 H HA 0.408 4.971 4.556 0.012 0.000 0.334 713 H C 0.783 176.181 175.328 0.116 0.000 1.034 713 H CA 0.395 56.473 56.048 0.051 0.000 1.420 713 H CB 0.192 29.962 29.762 0.015 0.000 1.405 713 H HN 0.311 nan 8.280 nan 0.000 0.593 714 I N 4.639 124.937 120.570 -0.453 0.000 2.325 714 I HA 0.042 4.219 4.170 0.012 0.000 0.291 714 I C 0.949 176.921 176.117 -0.243 0.000 1.019 714 I CA 0.055 61.234 61.300 -0.203 0.000 1.302 714 I CB 1.555 39.510 38.000 -0.075 0.000 1.401 714 I HN 0.789 nan 8.210 nan 0.000 0.485 715 S N 4.117 119.913 115.700 0.160 0.000 2.502 715 S HA 0.557 5.034 4.470 0.012 0.000 0.215 715 S C 0.486 175.358 174.600 0.454 0.000 1.009 715 S CA 0.018 58.458 58.200 0.400 0.000 0.908 715 S CB 0.556 64.101 63.200 0.574 0.000 0.801 715 S HN 0.731 nan 8.310 nan 0.000 0.505 716 A N 0.386 123.505 122.820 0.498 0.000 2.601 716 A HA 0.670 4.997 4.320 0.012 0.000 0.291 716 A C -1.891 176.054 177.584 0.602 0.000 1.075 716 A CA -0.861 51.432 52.037 0.427 0.000 0.671 716 A CB 0.331 19.638 19.000 0.512 0.000 1.277 716 A HN 0.941 nan 8.150 nan 0.000 0.417 717 W N -0.491 120.988 121.300 0.299 0.000 3.005 717 W HA 0.793 5.461 4.660 0.013 0.000 0.343 717 W C -1.222 175.342 176.519 0.075 0.000 1.243 717 W CA -0.558 56.852 57.345 0.109 0.000 1.186 717 W CB 1.118 30.615 29.460 0.062 0.000 1.453 717 W HN 1.057 nan 8.180 nan 0.000 0.575 718 Q N 0.986 120.841 119.800 0.092 0.000 2.527 718 Q HA 0.459 4.806 4.340 0.012 0.000 0.280 718 Q C -1.644 174.228 176.000 -0.213 0.000 0.977 718 Q CA -0.461 55.240 55.803 -0.171 0.000 0.837 718 Q CB 2.409 30.831 28.738 -0.526 0.000 1.454 718 Q HN 0.608 nan 8.270 nan 0.000 0.387 719 Q N 1.299 120.918 119.800 -0.302 0.000 2.423 719 Q HA 0.635 4.982 4.340 0.012 0.000 0.278 719 Q C -1.186 174.723 176.000 -0.151 0.000 1.097 719 Q CA -0.711 55.111 55.803 0.032 0.000 0.809 719 Q CB 2.478 31.426 28.738 0.350 0.000 1.391 719 Q HN 0.605 nan 8.270 nan 0.000 0.428 720 W N 0.842 122.294 121.300 0.254 0.000 3.107 720 W HA 0.435 5.102 4.660 0.011 0.000 0.331 720 W C -0.388 176.033 176.519 -0.164 0.000 1.204 720 W CA -0.676 56.707 57.345 0.063 0.000 1.184 720 W CB 1.780 31.251 29.460 0.017 0.000 1.421 720 W HN 0.417 nan 8.180 nan 0.000 0.544 721 R N 1.748 122.083 120.500 -0.275 0.000 2.438 721 R HA 0.425 4.772 4.340 0.012 0.000 0.287 721 R C 0.498 176.649 176.300 -0.247 0.000 1.077 721 R CA -0.059 55.639 56.100 -0.671 0.000 1.034 721 R CB 1.022 30.894 30.300 -0.712 0.000 0.993 721 R HN 0.302 nan 8.270 nan 0.000 0.459 722 L N 1.258 122.347 121.223 -0.222 0.000 2.783 722 L HA 0.535 4.882 4.340 0.012 0.000 0.205 722 L C 0.605 177.397 176.870 -0.129 0.000 1.985 722 L CA -1.008 53.764 54.840 -0.114 0.000 2.546 722 L CB -0.132 41.897 42.059 -0.050 0.000 2.829 722 L HN 0.586 nan 8.230 nan 0.000 0.614 723 A N 0.216 122.986 122.820 -0.082 0.000 2.386 723 A HA 0.269 4.596 4.320 0.012 0.000 0.248 723 A C -0.368 177.169 177.584 -0.078 0.000 1.082 723 A CA 0.095 52.089 52.037 -0.072 0.000 0.789 723 A CB 0.337 19.311 19.000 -0.043 0.000 1.025 723 A HN 0.612 nan 8.150 nan 0.000 0.490 724 E N 0.692 120.851 120.200 -0.068 0.000 2.222 724 E HA 0.340 4.697 4.350 0.012 0.000 0.267 724 E C -1.466 175.120 176.600 -0.023 0.000 0.884 724 E CA -0.711 55.656 56.400 -0.055 0.000 0.764 724 E CB 0.935 30.591 29.700 -0.074 0.000 1.169 724 E HN 0.630 nan 8.360 nan 0.000 0.413 725 N N 4.721 123.418 118.700 -0.005 0.000 2.626 725 N HA 0.270 5.017 4.740 0.012 0.000 0.242 725 N C -0.668 174.851 175.510 0.016 0.000 1.005 725 N CA -0.333 52.721 53.050 0.006 0.000 0.905 725 N CB 0.971 39.466 38.487 0.012 0.000 1.128 725 N HN 0.497 nan 8.380 nan 0.000 0.512 726 L N 0.702 121.933 121.223 0.014 0.000 2.490 726 L HA 0.061 4.408 4.340 0.012 0.000 0.274 726 L C 1.280 178.168 176.870 0.030 0.000 1.201 726 L CA 0.261 55.115 54.840 0.024 0.000 0.869 726 L CB 0.387 42.459 42.059 0.022 0.000 1.123 726 L HN 0.336 nan 8.230 nan 0.000 0.484 727 S N 1.642 117.366 115.700 0.039 0.000 2.510 727 S HA 0.209 4.686 4.470 0.012 0.000 0.279 727 S C 0.725 175.346 174.600 0.036 0.000 1.284 727 S CA -0.837 57.386 58.200 0.039 0.000 1.059 727 S CB 0.810 64.038 63.200 0.047 0.000 0.901 727 S HN 0.452 nan 8.310 nan 0.000 0.491 728 V N 2.261 122.193 119.914 0.030 0.000 3.528 728 V HA 0.264 4.391 4.120 0.012 0.000 0.294 728 V C 0.859 176.970 176.094 0.028 0.000 1.404 728 V CA 0.087 62.404 62.300 0.028 0.000 1.065 728 V CB -0.990 30.847 31.823 0.023 0.000 0.904 728 V HN 0.880 nan 8.190 nan 0.000 0.435 729 T N 1.549 116.121 114.554 0.030 0.000 2.817 729 T HA 0.540 4.897 4.350 0.012 0.000 0.295 729 T C -0.299 174.421 174.700 0.032 0.000 0.958 729 T CA -0.198 61.920 62.100 0.030 0.000 1.157 729 T CB 0.546 69.432 68.868 0.030 0.000 0.898 729 T HN 0.211 nan 8.240 nan 0.000 0.536 730 L N 5.350 126.590 121.223 0.030 0.000 2.331 730 L HA 0.420 4.767 4.340 0.012 0.000 0.278 730 L C -1.716 175.173 176.870 0.031 0.000 1.106 730 L CA -1.718 53.141 54.840 0.030 0.000 0.824 730 L CB -0.441 41.634 42.059 0.027 0.000 1.142 730 L HN 0.538 nan 8.230 nan 0.000 0.443 731 P HA 0.301 nan 4.420 nan 0.000 0.276 731 P C -0.612 176.704 177.300 0.027 0.000 1.243 731 P CA -0.482 62.636 63.100 0.030 0.000 0.768 731 P CB 1.001 32.720 31.700 0.032 0.000 0.856 732 A N 3.374 126.211 122.820 0.028 0.000 2.524 732 A HA 0.429 4.756 4.320 0.012 0.000 0.250 732 A C 0.812 178.410 177.584 0.023 0.000 1.078 732 A CA -0.120 51.938 52.037 0.034 0.000 0.761 732 A CB -0.432 18.596 19.000 0.048 0.000 1.012 732 A HN 0.703 nan 8.150 nan 0.000 0.500 733 A N 3.560 126.402 122.820 0.037 0.000 2.565 733 A HA 0.445 4.772 4.320 0.012 0.000 0.237 733 A C 1.057 178.650 177.584 0.015 0.000 1.053 733 A CA 0.530 52.587 52.037 0.032 0.000 0.755 733 A CB -0.404 18.625 19.000 0.049 0.000 0.980 733 A HN 1.819 nan 8.150 nan 0.000 0.506 734 S N 1.584 117.253 115.700 -0.051 0.000 2.693 734 S HA 0.394 4.871 4.470 0.012 0.000 0.276 734 S C 0.040 174.598 174.600 -0.069 0.000 1.192 734 S CA -0.447 57.619 58.200 -0.225 0.000 0.994 734 S CB 0.284 63.350 63.200 -0.224 0.000 1.012 734 S HN 0.716 nan 8.310 nan 0.000 0.550 735 H N 0.302 119.386 119.070 0.024 0.000 2.813 735 H HA 0.634 5.197 4.556 0.012 0.000 0.312 735 H C 0.286 175.629 175.328 0.025 0.000 1.228 735 H CA -0.055 56.006 56.048 0.021 0.000 1.154 735 H CB -0.515 29.257 29.762 0.017 0.000 1.418 735 H HN 0.808 nan 8.280 nan 0.000 0.525 736 A N 1.582 124.438 122.820 0.060 0.000 2.597 736 A HA 0.507 4.834 4.320 0.012 0.000 0.292 736 A C -1.764 175.853 177.584 0.054 0.000 1.057 736 A CA -0.770 51.299 52.037 0.053 0.000 0.674 736 A CB 1.724 20.743 19.000 0.031 0.000 1.278 736 A HN 0.259 nan 8.150 nan 0.000 0.416 737 I N 1.354 121.974 120.570 0.083 0.000 2.512 737 I HA 0.577 4.754 4.170 0.012 0.000 0.287 737 I C -3.014 173.209 176.117 0.176 0.000 1.069 737 I CA -2.265 59.098 61.300 0.104 0.000 1.056 737 I CB 1.905 39.964 38.000 0.097 0.000 1.229 737 I HN 0.329 nan 8.210 nan 0.000 0.429 738 P HA 0.190 nan 4.420 nan 0.000 0.268 738 P C -1.075 176.401 177.300 0.292 0.000 1.208 738 P CA 0.464 63.659 63.100 0.158 0.000 0.777 738 P CB 0.276 32.005 31.700 0.049 0.000 0.875 739 H N 0.685 119.784 119.070 0.049 0.000 2.492 739 H HA 0.428 4.991 4.556 0.012 0.000 0.345 739 H C -0.546 174.810 175.328 0.047 0.000 1.136 739 H CA -1.020 55.049 56.048 0.036 0.000 1.202 739 H CB 1.733 31.518 29.762 0.038 0.000 1.524 739 H HN 0.262 nan 8.280 nan 0.000 0.506 740 L N 2.416 123.698 121.223 0.098 0.000 2.307 740 L HA 0.347 4.694 4.340 0.012 0.000 0.284 740 L C -0.530 176.392 176.870 0.086 0.000 1.023 740 L CA 0.007 54.892 54.840 0.075 0.000 0.810 740 L CB 1.655 43.708 42.059 -0.010 0.000 1.231 740 L HN 0.514 nan 8.230 nan 0.000 0.423 741 T N 3.420 118.051 114.554 0.128 0.000 2.848 741 T HA 0.616 4.974 4.350 0.012 0.000 0.285 741 T C -0.636 174.163 174.700 0.165 0.000 0.995 741 T CA -0.360 61.810 62.100 0.117 0.000 0.970 741 T CB 1.403 70.329 68.868 0.097 0.000 0.976 741 T HN 0.709 nan 8.240 nan 0.000 0.441 742 T N 2.489 117.134 114.554 0.152 0.000 2.887 742 T HA 0.801 5.158 4.350 0.012 0.000 0.288 742 T C -0.385 174.349 174.700 0.056 0.000 1.021 742 T CA -0.773 61.431 62.100 0.172 0.000 1.000 742 T CB 1.557 70.554 68.868 0.215 0.000 1.034 742 T HN 0.720 nan 8.240 nan 0.000 0.467 743 S N 0.414 116.101 115.700 -0.023 0.000 2.685 743 S HA 0.456 4.933 4.470 0.012 0.000 0.282 743 S C 0.798 175.330 174.600 -0.113 0.000 1.159 743 S CA -0.880 57.293 58.200 -0.045 0.000 0.833 743 S CB 1.730 64.912 63.200 -0.029 0.000 1.151 743 S HN 0.732 nan 8.310 nan 0.000 0.485 744 E N -0.366 119.783 120.200 -0.086 0.000 2.160 744 E HA -0.136 4.221 4.350 0.012 0.000 0.195 744 E C 1.122 177.631 176.600 -0.153 0.000 0.991 744 E CA 1.358 57.693 56.400 -0.109 0.000 0.810 744 E CB -0.112 29.549 29.700 -0.065 0.000 0.742 744 E HN 0.596 nan 8.360 nan 0.000 0.466 745 M N 0.227 119.754 119.600 -0.122 0.000 2.516 745 M HA 0.160 4.647 4.480 0.012 0.000 0.259 745 M C -0.007 176.215 176.300 -0.130 0.000 1.146 745 M CA 0.615 55.853 55.300 -0.104 0.000 1.122 745 M CB 0.332 32.907 32.600 -0.042 0.000 1.341 745 M HN -0.095 nan 8.290 nan 0.000 0.478 746 D N -1.079 119.225 120.400 -0.161 0.000 2.570 746 D HA 0.443 5.090 4.640 0.012 0.000 0.244 746 D C -1.523 174.703 176.300 -0.125 0.000 1.178 746 D CA -0.346 53.592 54.000 -0.104 0.000 0.881 746 D CB 2.673 43.495 40.800 0.036 0.000 1.453 746 D HN -0.066 nan 8.370 nan 0.000 0.447 747 F N 0.868 120.899 119.950 0.135 0.000 2.477 747 F HA 0.375 4.909 4.527 0.012 0.000 0.335 747 F C -0.149 175.776 175.800 0.209 0.000 1.130 747 F CA -0.758 57.314 58.000 0.120 0.000 0.948 747 F CB 1.509 40.541 39.000 0.053 0.000 1.154 747 F HN 0.095 nan 8.300 nan 0.000 0.439 748 C N 4.779 124.290 119.300 0.351 0.000 2.408 748 C HA 0.734 5.201 4.460 0.012 0.000 0.321 748 C C -0.428 174.726 174.990 0.274 0.000 1.245 748 C CA -0.860 58.336 59.018 0.297 0.000 1.523 748 C CB 0.585 28.431 27.740 0.177 0.000 2.178 748 C HN 0.510 nan 8.230 nan 0.000 0.488 749 I N 2.407 123.189 120.570 0.354 0.000 2.433 749 I HA 0.550 4.727 4.170 0.012 0.000 0.292 749 I C -0.098 176.276 176.117 0.429 0.000 1.001 749 I CA -0.305 61.199 61.300 0.340 0.000 1.119 749 I CB 1.296 39.477 38.000 0.301 0.000 1.289 749 I HN 0.660 nan 8.210 nan 0.000 0.438 750 E N 5.378 125.761 120.200 0.305 0.000 2.266 750 E HA 0.760 5.117 4.350 0.012 0.000 0.268 750 E C -1.829 174.910 176.600 0.231 0.000 0.879 750 E CA -0.863 55.679 56.400 0.237 0.000 0.762 750 E CB 2.253 32.000 29.700 0.077 0.000 1.199 750 E HN 0.560 nan 8.360 nan 0.000 0.422 751 L N 4.997 126.366 121.223 0.242 0.000 2.620 751 L HA 0.505 4.852 4.340 0.012 0.000 0.261 751 L C 0.044 176.969 176.870 0.091 0.000 0.978 751 L CA 0.733 55.684 54.840 0.185 0.000 0.897 751 L CB 1.125 43.377 42.059 0.323 0.000 1.207 751 L HN 0.812 nan 8.230 nan 0.000 0.425 752 G N 4.301 113.107 108.800 0.009 0.000 2.583 752 G HA2 -0.417 3.550 3.960 0.012 0.000 0.292 752 G HA3 -0.417 3.550 3.960 0.012 0.000 0.292 752 G C 0.515 175.395 174.900 -0.033 0.000 1.203 752 G CA 0.545 45.639 45.100 -0.011 0.000 0.987 752 G HN 1.222 nan 8.290 nan 0.000 0.554 753 N N 1.353 120.029 118.700 -0.039 0.000 2.449 753 N HA 0.097 4.844 4.740 0.012 0.000 0.191 753 N C 0.425 175.876 175.510 -0.100 0.000 1.161 753 N CA 0.935 53.947 53.050 -0.064 0.000 0.863 753 N CB 0.134 38.586 38.487 -0.058 0.000 0.980 753 N HN 0.748 nan 8.380 nan 0.000 0.458 754 K N 0.227 120.557 120.400 -0.117 0.000 2.164 754 K HA 0.466 4.793 4.320 0.012 0.000 0.258 754 K C -0.534 175.875 176.600 -0.320 0.000 0.951 754 K CA -0.624 55.478 56.287 -0.309 0.000 0.844 754 K CB 2.121 34.363 32.500 -0.430 0.000 1.099 754 K HN -0.039 nan 8.250 nan 0.000 0.435 755 R N 1.552 121.774 120.500 -0.464 0.000 2.673 755 R HA 0.416 4.763 4.340 0.012 0.000 0.281 755 R C -1.545 174.607 176.300 -0.246 0.000 0.991 755 R CA -0.632 55.373 56.100 -0.159 0.000 0.896 755 R CB 1.412 31.671 30.300 -0.068 0.000 1.201 755 R HN 0.599 nan 8.270 nan 0.000 0.457 756 W N 2.895 124.308 121.300 0.188 0.000 2.785 756 W HA 0.337 5.004 4.660 0.012 0.000 0.333 756 W C -0.685 175.937 176.519 0.172 0.000 1.062 756 W CA -0.641 56.772 57.345 0.112 0.000 1.233 756 W CB 2.188 31.705 29.460 0.095 0.000 1.413 756 W HN 0.416 nan 8.180 nan 0.000 0.489 757 Q N 2.572 122.525 119.800 0.255 0.000 2.330 757 Q HA 0.466 4.813 4.340 0.012 0.000 0.269 757 Q C -1.879 174.119 176.000 -0.003 0.000 1.022 757 Q CA -0.462 55.488 55.803 0.245 0.000 0.796 757 Q CB 1.474 30.408 28.738 0.326 0.000 1.271 757 Q HN 0.327 nan 8.270 nan 0.000 0.450 758 F N 2.365 122.413 119.950 0.164 0.000 2.458 758 F HA 0.358 4.892 4.527 0.012 0.000 0.336 758 F C 0.508 176.362 175.800 0.090 0.000 1.114 758 F CA -0.873 57.193 58.000 0.110 0.000 0.987 758 F CB 1.470 40.533 39.000 0.105 0.000 1.130 758 F HN 0.499 nan 8.300 nan 0.000 0.458 759 N N 3.151 121.973 118.700 0.203 0.000 2.422 759 N HA 0.146 4.893 4.740 0.012 0.000 0.264 759 N C 0.748 176.301 175.510 0.071 0.000 1.063 759 N CA -0.125 52.994 53.050 0.115 0.000 0.959 759 N CB 0.894 39.451 38.487 0.116 0.000 1.087 759 N HN 0.683 nan 8.380 nan 0.000 0.483 760 R N 2.176 122.649 120.500 -0.044 0.000 2.236 760 R HA -0.059 4.288 4.340 0.012 0.000 0.208 760 R C 1.638 177.894 176.300 -0.075 0.000 1.036 760 R CA 0.703 56.730 56.100 -0.123 0.000 1.001 760 R CB 0.199 30.297 30.300 -0.338 0.000 0.896 760 R HN 0.671 nan 8.270 nan 0.000 0.464 761 Q N 0.552 120.333 119.800 -0.033 0.000 2.165 761 Q HA -0.064 4.283 4.340 0.012 0.000 0.197 761 Q C 1.788 177.791 176.000 0.006 0.000 0.952 761 Q CA 1.533 57.326 55.803 -0.017 0.000 0.848 761 Q CB 0.314 29.055 28.738 0.004 0.000 0.931 761 Q HN 0.330 nan 8.270 nan 0.000 0.470 762 S N -1.898 113.833 115.700 0.052 0.000 2.486 762 S HA 0.206 4.683 4.470 0.012 0.000 0.220 762 S C 1.360 175.912 174.600 -0.081 0.000 1.011 762 S CA 0.591 58.848 58.200 0.095 0.000 0.921 762 S CB 0.641 64.016 63.200 0.292 0.000 0.785 762 S HN 0.594 nan 8.310 nan 0.000 0.517 763 G N 0.418 109.168 108.800 -0.084 0.000 2.141 763 G HA2 -0.206 3.761 3.960 0.012 0.000 0.242 763 G HA3 -0.206 3.761 3.960 0.012 0.000 0.242 763 G C -0.122 174.654 174.900 -0.207 0.000 0.982 763 G CA 0.188 45.192 45.100 -0.160 0.000 0.662 763 G HN 0.530 nan 8.290 nan 0.000 0.527 764 F N -1.293 118.843 119.950 0.309 0.000 2.598 764 F HA 0.689 5.223 4.527 0.012 0.000 0.327 764 F C 0.441 176.267 175.800 0.044 0.000 1.057 764 F CA -1.493 56.639 58.000 0.222 0.000 0.957 764 F CB 1.467 40.554 39.000 0.146 0.000 1.278 764 F HN 0.013 nan 8.300 nan 0.000 0.484 765 L N 1.815 123.070 121.223 0.054 0.000 2.456 765 L HA 0.176 4.524 4.340 0.012 0.000 0.277 765 L C 0.975 177.744 176.870 -0.168 0.000 1.124 765 L CA 0.450 54.996 54.840 -0.490 0.000 0.880 765 L CB 0.459 42.187 42.059 -0.552 0.000 1.192 765 L HN 0.720 nan 8.230 nan 0.000 0.463 766 S N 2.616 118.220 115.700 -0.160 0.000 2.470 766 S HA 0.218 4.695 4.470 0.012 0.000 0.222 766 S C 0.583 175.078 174.600 -0.174 0.000 1.024 766 S CA 0.048 58.201 58.200 -0.079 0.000 0.931 766 S CB 0.064 63.269 63.200 0.008 0.000 0.791 766 S HN 0.681 nan 8.310 nan 0.000 0.513 767 Q N -0.287 119.361 119.800 -0.254 0.000 2.578 767 Q HA 0.665 5.012 4.340 0.012 0.000 0.284 767 Q C -1.862 173.842 176.000 -0.493 0.000 0.960 767 Q CA -0.392 55.142 55.803 -0.447 0.000 0.809 767 Q CB 1.693 30.075 28.738 -0.593 0.000 1.462 767 Q HN 0.408 nan 8.270 nan 0.000 0.392 768 M N 1.848 121.020 119.600 -0.714 0.000 2.433 768 M HA 0.639 5.126 4.480 0.012 0.000 0.290 768 M C -1.891 174.006 176.300 -0.672 0.000 1.173 768 M CA -0.289 54.655 55.300 -0.593 0.000 0.905 768 M CB 1.572 33.800 32.600 -0.620 0.000 1.692 768 M HN 0.660 nan 8.290 nan 0.000 0.462 769 W N 5.279 126.333 121.300 -0.410 0.000 2.666 769 W HA 0.630 5.297 4.660 0.012 0.000 0.334 769 W C -1.297 175.011 176.519 -0.352 0.000 1.051 769 W CA -0.764 56.399 57.345 -0.304 0.000 1.224 769 W CB 1.675 31.000 29.460 -0.225 0.000 1.405 769 W HN 0.493 nan 8.180 nan 0.000 0.513 770 I N 2.394 122.933 120.570 -0.051 0.000 2.447 770 I HA 0.465 4.642 4.170 0.012 0.000 0.287 770 I C 0.768 176.855 176.117 -0.050 0.000 1.023 770 I CA 0.049 61.280 61.300 -0.115 0.000 1.083 770 I CB 1.478 39.379 38.000 -0.165 0.000 1.245 770 I HN 0.725 nan 8.210 nan 0.000 0.434 771 G N 5.595 114.361 108.800 -0.056 0.000 2.561 771 G HA2 -0.241 3.726 3.960 0.012 0.000 0.289 771 G HA3 -0.241 3.726 3.960 0.012 0.000 0.289 771 G C 0.045 174.946 174.900 0.001 0.000 1.169 771 G CA 0.352 45.430 45.100 -0.038 0.000 0.980 771 G HN 0.649 nan 8.290 nan 0.000 0.550 772 D N 0.968 121.386 120.400 0.030 0.000 2.696 772 D HA 0.257 4.904 4.640 0.012 0.000 0.269 772 D C 0.356 176.802 176.300 0.242 0.000 1.319 772 D CA -0.077 53.982 54.000 0.097 0.000 0.826 772 D CB 0.869 41.663 40.800 -0.009 0.000 1.086 772 D HN 0.310 nan 8.370 nan 0.000 0.481 773 K N 1.390 121.879 120.400 0.149 0.000 2.253 773 K HA 0.218 4.545 4.320 0.012 0.000 0.277 773 K C 0.063 176.616 176.600 -0.079 0.000 1.053 773 K CA -0.471 55.849 56.287 0.054 0.000 0.892 773 K CB 1.301 33.787 32.500 -0.024 0.000 1.102 773 K HN -0.228 nan 8.250 nan 0.000 0.469 774 K N 2.161 122.421 120.400 -0.234 0.000 2.485 774 K HA -0.047 4.280 4.320 0.012 0.000 0.277 774 K C 0.739 177.108 176.600 -0.385 0.000 0.990 774 K CA 0.222 56.126 56.287 -0.637 0.000 0.994 774 K CB 0.611 32.814 32.500 -0.494 0.000 0.906 774 K HN 0.481 nan 8.250 nan 0.000 0.488 775 Q N 1.323 120.868 119.800 -0.425 0.000 2.317 775 Q HA 0.222 4.569 4.340 0.012 0.000 0.220 775 Q C -0.085 175.828 176.000 -0.146 0.000 0.873 775 Q CA 0.435 56.130 55.803 -0.180 0.000 0.936 775 Q CB 0.609 29.283 28.738 -0.106 0.000 1.105 775 Q HN 0.485 nan 8.270 nan 0.000 0.520 776 L N 0.347 121.418 121.223 -0.253 0.000 2.370 776 L HA 0.404 4.751 4.340 0.012 0.000 0.266 776 L C 0.789 177.524 176.870 -0.226 0.000 1.002 776 L CA -0.411 54.305 54.840 -0.207 0.000 0.818 776 L CB 1.913 43.837 42.059 -0.225 0.000 1.325 776 L HN -0.079 nan 8.230 nan 0.000 0.418 777 L N 0.279 121.363 121.223 -0.231 0.000 2.470 777 L HA 0.168 4.515 4.340 0.012 0.000 0.219 777 L C 0.623 177.371 176.870 -0.202 0.000 1.071 777 L CA 0.470 55.181 54.840 -0.216 0.000 0.850 777 L CB 0.467 42.386 42.059 -0.235 0.000 1.040 777 L HN 0.749 nan 8.230 nan 0.000 0.475 778 T N -3.229 111.176 114.554 -0.249 0.000 2.903 778 T HA 0.552 4.909 4.350 0.012 0.000 0.299 778 T C -2.879 171.741 174.700 -0.134 0.000 1.093 778 T CA -2.084 59.919 62.100 -0.162 0.000 1.002 778 T CB 2.205 70.986 68.868 -0.145 0.000 1.127 778 T HN -0.317 nan 8.240 nan 0.000 0.488 779 P HA 0.275 nan 4.420 nan 0.000 0.270 779 P C -0.586 176.674 177.300 -0.068 0.000 1.223 779 P CA -0.765 62.300 63.100 -0.058 0.000 0.785 779 P CB 0.291 31.993 31.700 0.003 0.000 0.923 780 L N 3.330 124.549 121.223 -0.008 0.000 2.385 780 L HA 0.240 4.587 4.340 0.012 0.000 0.281 780 L C 0.141 176.954 176.870 -0.095 0.000 1.106 780 L CA 0.663 55.528 54.840 0.042 0.000 0.856 780 L CB -0.660 41.530 42.059 0.220 0.000 1.186 780 L HN 0.312 nan 8.230 nan 0.000 0.453 781 R N 2.609 122.964 120.500 -0.242 0.000 2.867 781 R HA 0.497 4.844 4.340 0.012 0.000 0.268 781 R C -1.009 175.143 176.300 -0.246 0.000 1.014 781 R CA -1.083 54.689 56.100 -0.547 0.000 0.946 781 R CB 1.033 30.828 30.300 -0.843 0.000 1.208 781 R HN 0.503 nan 8.270 nan 0.000 0.477 782 D N 1.125 121.437 120.400 -0.147 0.000 2.382 782 D HA 0.046 4.693 4.640 0.012 0.000 0.240 782 D C -0.484 175.471 176.300 -0.574 0.000 1.146 782 D CA 0.353 54.160 54.000 -0.322 0.000 0.897 782 D CB 0.638 41.238 40.800 -0.334 0.000 1.197 782 D HN 0.237 nan 8.370 nan 0.000 0.432 783 Q N 1.150 120.406 119.800 -0.907 0.000 2.285 783 Q HA 0.341 4.688 4.340 0.012 0.000 0.269 783 Q C -1.252 174.022 176.000 -1.209 0.000 1.030 783 Q CA -0.571 54.746 55.803 -0.809 0.000 0.788 783 Q CB 0.743 29.198 28.738 -0.472 0.000 1.266 783 Q HN 0.545 nan 8.270 nan 0.000 0.438 784 F N 0.947 120.495 119.950 -0.671 0.000 2.706 784 F HA 0.210 4.744 4.527 0.012 0.000 0.313 784 F C 0.572 175.914 175.800 -0.763 0.000 1.096 784 F CA -0.124 57.355 58.000 -0.869 0.000 1.219 784 F CB 1.498 39.609 39.000 -1.481 0.000 1.051 784 F HN 0.467 nan 8.300 nan 0.000 0.568 785 T N -1.045 113.181 114.554 -0.547 0.000 2.887 785 T HA 0.748 5.105 4.350 0.012 0.000 0.292 785 T C -0.636 173.808 174.700 -0.427 0.000 1.087 785 T CA -1.041 60.677 62.100 -0.636 0.000 1.009 785 T CB 2.732 71.136 68.868 -0.773 0.000 1.203 785 T HN 0.223 nan 8.240 nan 0.000 0.518 786 R N -0.128 120.162 120.500 -0.350 0.000 2.795 786 R HA 0.782 5.129 4.340 0.012 0.000 0.275 786 R C -0.756 175.607 176.300 0.105 0.000 0.981 786 R CA -1.189 54.848 56.100 -0.105 0.000 0.917 786 R CB 1.597 31.847 30.300 -0.082 0.000 1.202 786 R HN 0.832 nan 8.270 nan 0.000 0.469 787 A N 3.873 126.742 122.820 0.081 0.000 2.476 787 A HA 0.274 4.602 4.320 0.012 0.000 0.275 787 A C -1.961 175.711 177.584 0.147 0.000 1.133 787 A CA -1.347 50.745 52.037 0.091 0.000 0.797 787 A CB -0.466 18.533 19.000 -0.002 0.000 1.081 787 A HN 0.589 nan 8.150 nan 0.000 0.510 788 P HA 0.074 nan 4.420 nan 0.000 0.265 788 P C -0.247 177.193 177.300 0.233 0.000 1.193 788 P CA 0.410 63.693 63.100 0.304 0.000 0.765 788 P CB 0.433 32.324 31.700 0.319 0.000 0.823 789 L N 2.537 123.865 121.223 0.176 0.000 2.466 789 L HA 0.141 4.488 4.340 0.012 0.000 0.257 789 L C 1.889 178.798 176.870 0.064 0.000 1.189 789 L CA -0.490 54.393 54.840 0.071 0.000 0.813 789 L CB -0.073 41.960 42.059 -0.044 0.000 1.118 789 L HN 0.306 nan 8.230 nan 0.000 0.471 790 D N 0.594 120.982 120.400 -0.020 0.000 2.149 790 D HA -0.185 4.462 4.640 0.012 0.000 0.194 790 D C 1.607 177.880 176.300 -0.045 0.000 1.001 790 D CA 1.556 55.486 54.000 -0.115 0.000 0.849 790 D CB -0.004 40.687 40.800 -0.181 0.000 0.939 790 D HN 0.501 nan 8.370 nan 0.000 0.449 791 N N 0.968 119.650 118.700 -0.031 0.000 2.309 791 N HA -0.111 4.636 4.740 0.012 0.000 0.182 791 N C 1.210 176.740 175.510 0.033 0.000 1.018 791 N CA 0.725 53.772 53.050 -0.005 0.000 0.876 791 N CB -0.209 38.266 38.487 -0.021 0.000 0.972 791 N HN 0.260 nan 8.380 nan 0.000 0.434 792 D N 0.679 121.116 120.400 0.061 0.000 2.183 792 D HA 0.027 4.674 4.640 0.012 0.000 0.203 792 D C 2.069 178.394 176.300 0.042 0.000 0.969 792 D CA 0.331 54.385 54.000 0.089 0.000 0.842 792 D CB -0.022 40.902 40.800 0.206 0.000 0.957 792 D HN 0.282 nan 8.370 nan 0.000 0.484 793 I N 0.992 121.585 120.570 0.038 0.000 2.286 793 I HA -0.137 4.040 4.170 0.012 0.000 0.245 793 I C 0.875 176.980 176.117 -0.020 0.000 1.104 793 I CA 0.653 61.955 61.300 0.004 0.000 1.397 793 I CB -0.245 37.737 38.000 -0.031 0.000 1.072 793 I HN -0.070 nan 8.210 nan 0.000 0.417 794 A N 1.051 123.867 122.820 -0.006 0.000 2.416 794 A HA -0.118 4.209 4.320 0.012 0.000 0.293 794 A C -0.097 177.503 177.584 0.027 0.000 1.452 794 A CA 0.338 52.386 52.037 0.018 0.000 0.738 794 A CB -2.162 16.828 19.000 -0.016 0.000 1.123 794 A HN 0.165 nan 8.150 nan 0.000 0.389 795 V N 0.459 120.390 119.914 0.028 0.000 2.864 795 V HA 0.822 4.949 4.120 0.012 0.000 0.314 795 V C 1.101 177.145 176.094 -0.083 0.000 1.073 795 V CA 0.129 62.409 62.300 -0.034 0.000 0.956 795 V CB 2.058 33.833 31.823 -0.080 0.000 1.023 795 V HN 1.434 nan 8.190 nan 0.000 0.435 796 S N 0.808 116.278 115.700 -0.384 0.000 2.651 796 S HA 0.347 4.824 4.470 0.012 0.000 0.259 796 S C 0.091 174.142 174.600 -0.916 0.000 1.073 796 S CA -0.304 57.236 58.200 -1.100 0.000 1.090 796 S CB 0.325 62.596 63.200 -1.548 0.000 1.042 796 S HN 0.740 nan 8.310 nan 0.000 0.581 797 E N 1.662 121.546 120.200 -0.527 0.000 2.283 797 E HA 0.671 5.028 4.350 0.012 0.000 0.258 797 E C -0.180 176.275 176.600 -0.242 0.000 0.893 797 E CA -0.554 55.613 56.400 -0.388 0.000 0.798 797 E CB 1.932 31.403 29.700 -0.380 0.000 1.242 797 E HN 0.501 nan 8.360 nan 0.000 0.414 801 I N 2.788 123.311 120.570 -0.080 0.000 2.447 801 I HA 0.229 4.406 4.170 0.012 0.000 0.287 801 I C -0.282 175.793 176.117 -0.070 0.000 1.023 801 I CA -0.711 60.548 61.300 -0.069 0.000 1.083 801 I CB 2.028 39.995 38.000 -0.056 0.000 1.245 801 I HN 0.415 nan 8.210 nan 0.000 0.434 802 D N 8.858 129.214 120.400 -0.073 0.000 2.347 802 D HA 0.314 4.961 4.640 0.012 0.000 0.235 802 D C -1.805 174.432 176.300 -0.105 0.000 1.149 802 D CA -1.966 51.984 54.000 -0.082 0.000 0.850 802 D CB 2.050 42.803 40.800 -0.078 0.000 1.061 802 D HN 0.155 nan 8.370 nan 0.000 0.487 803 P HA -0.038 nan 4.420 nan 0.000 0.231 803 P C 0.604 177.799 177.300 -0.174 0.000 1.158 803 P CA 0.585 63.615 63.100 -0.116 0.000 0.763 803 P CB 0.346 31.991 31.700 -0.091 0.000 0.805 804 N N -0.901 117.679 118.700 -0.201 0.000 2.412 804 N HA 0.104 4.851 4.740 0.012 0.000 0.184 804 N C 0.345 175.607 175.510 -0.414 0.000 1.101 804 N CA -0.081 52.789 53.050 -0.300 0.000 0.881 804 N CB -0.354 37.979 38.487 -0.257 0.000 0.969 804 N HN -0.037 nan 8.380 nan 0.000 0.459 805 A N -0.526 122.113 122.820 -0.301 0.000 2.445 805 A HA 0.064 4.391 4.320 0.012 0.000 0.242 805 A C 0.731 178.059 177.584 -0.426 0.000 1.075 805 A CA -0.308 51.545 52.037 -0.307 0.000 0.777 805 A CB -0.051 18.853 19.000 -0.161 0.000 1.013 805 A HN 0.447 nan 8.150 nan 0.000 0.493 806 W N 1.706 122.740 121.300 -0.442 0.000 2.317 806 W HA -0.204 4.463 4.660 0.011 0.000 0.318 806 W C 2.232 178.138 176.519 -1.021 0.000 1.227 806 W CA 1.786 58.578 57.345 -0.921 0.000 1.269 806 W CB -0.597 28.161 29.460 -1.170 0.000 1.155 806 W HN 0.538 nan 8.180 nan 0.000 0.484 807 V N 0.779 120.521 119.914 -0.286 0.000 2.392 807 V HA -0.284 3.843 4.120 0.012 0.000 0.249 807 V C 2.264 178.407 176.094 0.082 0.000 1.059 807 V CA 2.182 64.536 62.300 0.090 0.000 1.051 807 V CB -0.416 31.508 31.823 0.169 0.000 0.658 807 V HN 0.071 nan 8.190 nan 0.000 0.455 808 E N 0.007 120.170 120.200 -0.062 0.000 2.051 808 E HA -0.191 4.166 4.350 0.012 0.000 0.192 808 E C 2.368 178.935 176.600 -0.055 0.000 0.991 808 E CA 1.369 57.738 56.400 -0.052 0.000 0.799 808 E CB -0.389 29.251 29.700 -0.101 0.000 0.748 808 E HN 0.595 nan 8.360 nan 0.000 0.449 809 R N -0.417 119.978 120.500 -0.174 0.000 2.081 809 R HA -0.130 4.217 4.340 0.012 0.000 0.235 809 R C 2.333 178.604 176.300 -0.049 0.000 1.131 809 R CA 1.313 57.305 56.100 -0.180 0.000 0.960 809 R CB -0.226 29.850 30.300 -0.374 0.000 0.856 809 R HN 0.259 nan 8.270 nan 0.000 0.436 810 W N 1.432 122.704 121.300 -0.048 0.000 2.355 810 W HA -0.093 4.574 4.660 0.012 0.000 0.309 810 W C 2.000 178.523 176.519 0.006 0.000 1.206 810 W CA 0.719 57.956 57.345 -0.180 0.000 1.284 810 W CB -0.734 28.787 29.460 0.101 0.000 1.145 810 W HN 0.099 nan 8.180 nan 0.000 0.502 811 K N 0.008 120.646 120.400 0.398 0.000 2.032 811 K HA -0.124 4.203 4.320 0.012 0.000 0.209 811 K C 2.263 178.941 176.600 0.131 0.000 1.048 811 K CA 1.843 58.305 56.287 0.292 0.000 0.927 811 K CB -0.613 31.984 32.500 0.162 0.000 0.712 811 K HN -0.006 nan 8.250 nan 0.000 0.441 812 A N 1.273 124.138 122.820 0.075 0.000 1.933 812 A HA -0.121 4.206 4.320 0.012 0.000 0.218 812 A C 2.245 179.842 177.584 0.023 0.000 1.175 812 A CA 1.869 53.930 52.037 0.040 0.000 0.628 812 A CB -0.590 18.417 19.000 0.013 0.000 0.814 812 A HN 0.361 nan 8.150 nan 0.000 0.444 813 A N -2.018 120.801 122.820 -0.001 0.000 2.209 813 A HA 0.376 4.703 4.320 0.012 0.000 0.212 813 A C 1.889 179.419 177.584 -0.090 0.000 1.158 813 A CA 1.349 53.389 52.037 0.005 0.000 0.742 813 A CB -0.873 18.122 19.000 -0.009 0.000 0.790 813 A HN 1.915 nan 8.150 nan 0.000 0.472 814 G N -1.898 106.760 108.800 -0.237 0.000 2.157 814 G HA2 -0.295 3.672 3.960 0.012 0.000 0.239 814 G HA3 -0.295 3.672 3.960 0.012 0.000 0.239 814 G C 0.630 175.506 174.900 -0.039 0.000 0.982 814 G CA 0.637 45.345 45.100 -0.654 0.000 0.650 814 G HN 0.730 nan 8.290 nan 0.000 0.527 815 H N -1.321 117.737 119.070 -0.021 0.000 2.387 815 H HA -0.087 4.476 4.556 0.012 0.000 0.299 815 H C 2.156 177.449 175.328 -0.058 0.000 1.099 815 H CA 1.581 57.626 56.048 -0.006 0.000 1.315 815 H CB 0.074 29.760 29.762 -0.126 0.000 1.380 815 H HN 0.592 nan 8.280 nan 0.000 0.513 816 Y N 0.930 121.349 120.300 0.200 0.000 2.561 816 Y HA -0.067 4.490 4.550 0.012 0.000 0.291 816 Y C 1.856 177.838 175.900 0.137 0.000 1.141 816 Y CA 0.538 58.721 58.100 0.138 0.000 1.303 816 Y CB 0.367 38.894 38.460 0.111 0.000 1.015 816 Y HN 0.314 nan 8.280 nan 0.000 0.547 817 Q N -0.418 119.540 119.800 0.264 0.000 2.217 817 Q HA 0.380 4.727 4.340 0.012 0.000 0.217 817 Q C 0.582 176.766 176.000 0.306 0.000 0.844 817 Q CA -0.051 55.908 55.803 0.260 0.000 0.957 817 Q CB 0.558 29.448 28.738 0.252 0.000 1.127 817 Q HN 0.209 nan 8.270 nan 0.000 0.503 818 A N 2.585 125.602 122.820 0.328 0.000 2.498 818 A HA 0.190 4.517 4.320 0.012 0.000 0.239 818 A C 0.005 177.877 177.584 0.479 0.000 1.068 818 A CA -0.088 52.201 52.037 0.421 0.000 0.766 818 A CB 0.128 19.420 19.000 0.487 0.000 1.003 818 A HN 0.354 nan 8.150 nan 0.000 0.497 819 E N 1.296 121.697 120.200 0.336 0.000 2.256 819 E HA 0.648 5.005 4.350 0.012 0.000 0.267 819 E C -0.410 176.102 176.600 -0.146 0.000 0.892 819 E CA -0.932 55.591 56.400 0.206 0.000 0.775 819 E CB 1.693 31.495 29.700 0.171 0.000 1.207 819 E HN 0.726 nan 8.360 nan 0.000 0.420 820 A N 1.797 124.396 122.820 -0.369 0.000 2.488 820 A HA 0.473 4.800 4.320 0.012 0.000 0.249 820 A C -0.062 177.376 177.584 -0.244 0.000 1.083 820 A CA 0.108 51.708 52.037 -0.728 0.000 0.768 820 A CB 0.082 18.787 19.000 -0.491 0.000 1.017 820 A HN 0.671 nan 8.150 nan 0.000 0.496 821 A N 2.847 125.516 122.820 -0.251 0.000 2.287 821 A HA 0.568 4.895 4.320 0.012 0.000 0.317 821 A C -0.359 177.152 177.584 -0.123 0.000 1.220 821 A CA -0.577 51.392 52.037 -0.113 0.000 0.835 821 A CB 0.448 19.395 19.000 -0.088 0.000 1.180 821 A HN 1.297 nan 8.150 nan 0.000 0.500 822 L N 3.042 124.182 121.223 -0.137 0.000 2.410 822 L HA 0.321 4.668 4.340 0.012 0.000 0.273 822 L C 0.375 177.104 176.870 -0.234 0.000 1.152 822 L CA 0.434 55.075 54.840 -0.332 0.000 0.855 822 L CB 0.305 42.188 42.059 -0.293 0.000 1.129 822 L HN 0.765 nan 8.230 nan 0.000 0.463 823 L N 3.154 124.219 121.223 -0.263 0.000 2.577 823 L HA 0.355 4.702 4.340 0.012 0.000 0.225 823 L C 0.331 177.133 176.870 -0.113 0.000 1.053 823 L CA 0.002 54.763 54.840 -0.132 0.000 0.866 823 L CB 0.124 42.142 42.059 -0.069 0.000 1.132 823 L HN 0.745 nan 8.230 nan 0.000 0.486 824 Q N -0.306 119.401 119.800 -0.155 0.000 2.438 824 Q HA 0.346 4.693 4.340 0.012 0.000 0.272 824 Q C -2.080 173.869 176.000 -0.086 0.000 0.994 824 Q CA -0.532 55.220 55.803 -0.085 0.000 0.887 824 Q CB 3.008 31.721 28.738 -0.042 0.000 1.432 824 Q HN 0.059 nan 8.270 nan 0.000 0.392 825 C N 3.182 122.473 119.300 -0.015 0.000 2.727 825 C HA 0.786 5.253 4.460 0.012 0.000 0.369 825 C C -0.969 174.131 174.990 0.183 0.000 1.067 825 C CA 0.410 59.466 59.018 0.062 0.000 1.273 825 C CB 0.590 28.357 27.740 0.045 0.000 1.778 825 C HN 0.828 nan 8.230 nan 0.000 0.467 826 T N 2.502 117.117 114.554 0.102 0.000 2.906 826 T HA 0.908 5.265 4.350 0.012 0.000 0.295 826 T C -0.501 173.981 174.700 -0.362 0.000 1.075 826 T CA -0.330 61.768 62.100 -0.003 0.000 1.005 826 T CB 1.923 70.769 68.868 -0.037 0.000 1.136 826 T HN 1.609 nan 8.240 nan 0.000 0.498 827 A N 1.487 123.903 122.820 -0.673 0.000 2.386 827 A HA 0.805 5.132 4.320 0.012 0.000 0.311 827 A C -1.196 176.120 177.584 -0.446 0.000 1.068 827 A CA -0.720 50.791 52.037 -0.876 0.000 0.743 827 A CB 1.294 19.273 19.000 -1.701 0.000 1.258 827 A HN 0.892 nan 8.150 nan 0.000 0.429 828 D N 0.362 120.563 120.400 -0.332 0.000 2.661 828 D HA 0.434 5.081 4.640 0.012 0.000 0.228 828 D C -1.310 174.887 176.300 -0.172 0.000 1.183 828 D CA -0.103 53.776 54.000 -0.202 0.000 0.844 828 D CB 2.390 43.105 40.800 -0.140 0.000 1.555 828 D HN 0.348 nan 8.370 nan 0.000 0.453 829 T N 1.680 116.158 114.554 -0.126 0.000 2.772 829 T HA 0.456 4.813 4.350 0.012 0.000 0.288 829 T C 0.486 175.140 174.700 -0.076 0.000 0.994 829 T CA -0.382 61.657 62.100 -0.102 0.000 0.951 829 T CB 0.412 69.222 68.868 -0.096 0.000 0.933 829 T HN 0.113 nan 8.240 nan 0.000 0.447 830 L N 2.077 123.259 121.223 -0.068 0.000 2.657 830 L HA 0.565 4.912 4.340 0.012 0.000 0.240 830 L C 2.042 178.890 176.870 -0.035 0.000 1.151 830 L CA -0.876 53.935 54.840 -0.049 0.000 0.831 830 L CB 0.089 42.120 42.059 -0.046 0.000 1.539 830 L HN 0.643 nan 8.230 nan 0.000 0.511 831 A N 0.210 123.016 122.820 -0.023 0.000 1.929 831 A HA -0.121 4.206 4.320 0.012 0.000 0.216 831 A C 1.139 178.719 177.584 -0.006 0.000 1.176 831 A CA 1.661 53.690 52.037 -0.013 0.000 0.628 831 A CB -0.390 18.607 19.000 -0.006 0.000 0.816 831 A HN 0.879 nan 8.150 nan 0.000 0.444 832 D N -2.159 118.237 120.400 -0.007 0.000 2.535 832 D HA 0.554 5.201 4.640 0.012 0.000 0.229 832 D C 0.074 176.367 176.300 -0.012 0.000 1.238 832 D CA 0.682 54.681 54.000 -0.000 0.000 0.824 832 D CB -0.079 40.722 40.800 0.003 0.000 1.045 832 D HN 0.440 nan 8.370 nan 0.000 0.500 833 A N -0.622 122.181 122.820 -0.029 0.000 2.564 833 A HA 0.629 4.956 4.320 0.012 0.000 0.291 833 A C -1.747 175.791 177.584 -0.076 0.000 1.102 833 A CA -0.704 51.301 52.037 -0.054 0.000 0.660 833 A CB 1.376 20.341 19.000 -0.059 0.000 1.283 833 A HN -0.007 nan 8.150 nan 0.000 0.430 834 V N 0.551 120.396 119.914 -0.115 0.000 2.513 834 V HA 0.633 4.760 4.120 0.012 0.000 0.299 834 V C -0.874 175.114 176.094 -0.177 0.000 1.035 834 V CA -0.426 61.785 62.300 -0.147 0.000 0.889 834 V CB 1.382 33.112 31.823 -0.156 0.000 0.988 834 V HN 0.870 nan 8.190 nan 0.000 0.440 835 L N 6.231 127.342 121.223 -0.186 0.000 2.333 835 L HA 0.646 4.993 4.340 0.012 0.000 0.280 835 L C -0.846 175.871 176.870 -0.256 0.000 1.004 835 L CA 0.034 54.769 54.840 -0.174 0.000 0.820 835 L CB 1.236 43.224 42.059 -0.118 0.000 1.247 835 L HN 0.418 nan 8.230 nan 0.000 0.416 836 I N 4.148 124.556 120.570 -0.270 0.000 2.377 836 I HA 0.400 4.577 4.170 0.012 0.000 0.293 836 I C -0.155 175.908 176.117 -0.089 0.000 0.987 836 I CA -0.231 60.848 61.300 -0.369 0.000 1.185 836 I CB 1.645 39.148 38.000 -0.829 0.000 1.341 836 I HN 0.589 nan 8.210 nan 0.000 0.455 837 T N 4.743 119.252 114.554 -0.075 0.000 2.807 837 T HA 0.611 4.968 4.350 0.012 0.000 0.279 837 T C 0.173 174.914 174.700 0.070 0.000 0.993 837 T CA -0.534 61.583 62.100 0.029 0.000 0.970 837 T CB 1.749 70.610 68.868 -0.011 0.000 0.950 837 T HN 0.776 nan 8.240 nan 0.000 0.441 838 T N -0.489 114.153 114.554 0.148 0.000 2.906 838 T HA 0.876 5.233 4.350 0.012 0.000 0.295 838 T C -1.152 173.610 174.700 0.103 0.000 1.075 838 T CA -1.061 61.104 62.100 0.109 0.000 1.005 838 T CB 2.015 71.018 68.868 0.225 0.000 1.136 838 T HN 0.772 nan 8.240 nan 0.000 0.498 839 A N 1.380 124.189 122.820 -0.018 0.000 2.427 839 A HA 0.772 5.099 4.320 0.012 0.000 0.298 839 A C -1.448 176.063 177.584 -0.123 0.000 1.036 839 A CA -0.762 51.301 52.037 0.044 0.000 0.701 839 A CB 0.934 19.956 19.000 0.036 0.000 1.250 839 A HN 1.002 nan 8.150 nan 0.000 0.412 840 H N 0.021 119.157 119.070 0.111 0.000 2.821 840 H HA 0.756 5.319 4.556 0.012 0.000 0.373 840 H C -0.047 175.297 175.328 0.026 0.000 1.165 840 H CA 0.288 56.317 56.048 -0.032 0.000 1.154 840 H CB 2.141 31.815 29.762 -0.148 0.000 1.765 840 H HN 0.975 nan 8.280 nan 0.000 0.549 841 A N 2.022 124.842 122.820 -0.001 0.000 2.318 841 A HA 0.398 4.725 4.320 0.012 0.000 0.324 841 A C -1.212 176.339 177.584 -0.055 0.000 1.170 841 A CA -0.688 51.404 52.037 0.091 0.000 0.810 841 A CB 0.935 19.973 19.000 0.063 0.000 1.198 841 A HN 0.593 nan 8.150 nan 0.000 0.484 842 W N 1.950 123.350 121.300 0.167 0.000 2.349 842 W HA 0.455 5.122 4.660 0.012 0.000 0.309 842 W C -0.117 176.427 176.519 0.041 0.000 1.083 842 W CA -0.068 57.375 57.345 0.164 0.000 1.224 842 W CB 1.673 31.290 29.460 0.261 0.000 1.256 842 W HN 0.799 nan 8.180 nan 0.000 0.461 843 Q N 0.698 120.617 119.800 0.198 0.000 2.496 843 Q HA 0.407 4.754 4.340 0.012 0.000 0.286 843 Q C -1.097 175.034 176.000 0.218 0.000 1.103 843 Q CA -0.685 55.202 55.803 0.140 0.000 0.813 843 Q CB 3.317 32.097 28.738 0.070 0.000 1.444 843 Q HN 0.403 nan 8.270 nan 0.000 0.443 844 H N 1.517 120.619 119.070 0.053 0.000 3.224 844 H HA 0.094 4.658 4.556 0.012 0.000 0.331 844 H C -1.159 174.200 175.328 0.051 0.000 1.002 844 H CA 0.014 56.104 56.048 0.069 0.000 1.473 844 H CB 0.995 30.810 29.762 0.088 0.000 1.830 844 H HN 0.810 nan 8.280 nan 0.000 0.485 845 Q N 3.037 122.587 119.800 -0.417 0.000 2.451 845 Q HA -0.237 4.110 4.340 0.012 0.000 0.305 845 Q C 0.864 176.809 176.000 -0.093 0.000 1.345 845 Q CA 1.174 56.813 55.803 -0.273 0.000 0.854 845 Q CB -1.350 27.209 28.738 -0.299 0.000 1.162 845 Q HN 1.202 nan 8.270 nan 0.000 0.440 846 G N -0.273 108.495 108.800 -0.053 0.000 2.225 846 G HA2 -0.352 3.615 3.960 0.012 0.000 0.254 846 G HA3 -0.352 3.615 3.960 0.012 0.000 0.254 846 G C -0.029 174.876 174.900 0.008 0.000 0.988 846 G CA 0.592 45.684 45.100 -0.015 0.000 0.625 846 G HN 0.386 nan 8.290 nan 0.000 0.527 847 K N 1.301 121.716 120.400 0.025 0.000 2.244 847 K HA 0.668 4.995 4.320 0.012 0.000 0.260 847 K C -0.145 176.472 176.600 0.029 0.000 0.951 847 K CA -0.211 56.096 56.287 0.034 0.000 0.826 847 K CB 1.227 33.751 32.500 0.040 0.000 1.108 847 K HN -0.018 nan 8.250 nan 0.000 0.433 848 T N 6.090 120.649 114.554 0.009 0.000 2.727 848 T HA 0.207 4.564 4.350 0.012 0.000 0.295 848 T C 1.020 175.664 174.700 -0.093 0.000 0.915 848 T CA -0.331 61.767 62.100 -0.002 0.000 1.066 848 T CB 0.206 69.090 68.868 0.026 0.000 0.891 848 T HN 0.558 nan 8.240 nan 0.000 0.516 849 L N 2.564 123.646 121.223 -0.235 0.000 2.145 849 L HA 0.331 4.678 4.340 0.012 0.000 0.201 849 L C -0.043 176.363 176.870 -0.772 0.000 1.075 849 L CA 0.889 55.336 54.840 -0.655 0.000 0.773 849 L CB 0.048 41.351 42.059 -1.260 0.000 0.936 849 L HN 0.517 nan 8.230 nan 0.000 0.451 850 F N -1.072 118.835 119.950 -0.072 0.000 2.601 850 F HA 0.558 5.092 4.527 0.012 0.000 0.309 850 F C -0.486 175.393 175.800 0.132 0.000 1.089 850 F CA -0.807 57.082 58.000 -0.184 0.000 0.940 850 F CB 1.919 40.395 39.000 -0.873 0.000 1.273 850 F HN -0.327 nan 8.300 nan 0.000 0.450 851 I N 1.571 122.343 120.570 0.337 0.000 2.465 851 I HA 0.393 4.570 4.170 0.012 0.000 0.291 851 I C -0.730 175.644 176.117 0.428 0.000 1.014 851 I CA -0.599 60.937 61.300 0.392 0.000 1.093 851 I CB 2.213 40.361 38.000 0.247 0.000 1.267 851 I HN 0.540 nan 8.210 nan 0.000 0.431 852 S N 6.616 122.669 115.700 0.588 0.000 2.498 852 S HA 0.571 5.048 4.470 0.012 0.000 0.317 852 S C -0.691 174.154 174.600 0.408 0.000 1.090 852 S CA -0.686 57.835 58.200 0.535 0.000 1.089 852 S CB 0.592 64.228 63.200 0.727 0.000 0.997 852 S HN 0.547 nan 8.310 nan 0.000 0.470 853 R N 3.560 124.222 120.500 0.269 0.000 2.437 853 R HA 0.584 4.931 4.340 0.012 0.000 0.310 853 R C -0.727 175.651 176.300 0.130 0.000 0.955 853 R CA -0.772 55.442 56.100 0.190 0.000 0.851 853 R CB 1.822 32.208 30.300 0.142 0.000 1.161 853 R HN 0.527 nan 8.270 nan 0.000 0.446 854 K N 0.779 121.248 120.400 0.116 0.000 2.480 854 K HA 0.491 4.818 4.320 0.012 0.000 0.258 854 K C -0.852 175.735 176.600 -0.022 0.000 0.990 854 K CA -0.934 55.345 56.287 -0.014 0.000 0.857 854 K CB 2.613 35.070 32.500 -0.072 0.000 1.384 854 K HN 0.641 nan 8.250 nan 0.000 0.446 855 T N -1.425 113.040 114.554 -0.150 0.000 2.893 855 T HA 0.571 4.928 4.350 0.012 0.000 0.293 855 T C -1.281 173.296 174.700 -0.206 0.000 1.027 855 T CA -0.801 61.259 62.100 -0.067 0.000 0.988 855 T CB 0.530 69.385 68.868 -0.022 0.000 1.043 855 T HN 0.373 nan 8.240 nan 0.000 0.461 856 Y N 0.736 121.019 120.300 -0.028 0.000 2.331 856 Y HA 0.656 5.214 4.550 0.012 0.000 0.334 856 Y C 0.438 176.276 175.900 -0.104 0.000 0.960 856 Y CA -1.284 56.810 58.100 -0.010 0.000 1.130 856 Y CB 1.703 40.211 38.460 0.080 0.000 1.164 856 Y HN 0.703 nan 8.280 nan 0.000 0.458 857 R N 4.054 124.587 120.500 0.054 0.000 2.337 857 R HA 0.669 5.016 4.340 0.012 0.000 0.319 857 R C -1.813 174.434 176.300 -0.088 0.000 0.954 857 R CA -0.597 55.482 56.100 -0.035 0.000 0.840 857 R CB 0.524 30.811 30.300 -0.021 0.000 1.164 857 R HN 0.773 nan 8.270 nan 0.000 0.472 858 I N 4.863 125.317 120.570 -0.193 0.000 2.339 858 I HA 0.200 4.377 4.170 0.012 0.000 0.290 858 I C -0.078 175.913 176.117 -0.209 0.000 0.994 858 I CA -0.434 60.669 61.300 -0.329 0.000 1.191 858 I CB 1.520 39.089 38.000 -0.718 0.000 1.343 858 I HN 0.659 nan 8.210 nan 0.000 0.458 859 D N 4.073 124.394 120.400 -0.131 0.000 2.494 859 D HA 0.290 4.937 4.640 0.012 0.000 0.259 859 D C 1.232 177.516 176.300 -0.027 0.000 1.109 859 D CA -0.812 53.151 54.000 -0.061 0.000 1.040 859 D CB 0.841 41.626 40.800 -0.026 0.000 1.175 859 D HN 0.481 nan 8.370 nan 0.000 0.584 860 G N -1.366 107.430 108.800 -0.007 0.000 2.625 860 G HA2 -0.119 3.848 3.960 0.012 0.000 0.214 860 G HA3 -0.119 3.848 3.960 0.012 0.000 0.214 860 G C 0.986 175.887 174.900 0.002 0.000 1.132 860 G CA 0.885 45.989 45.100 0.007 0.000 0.782 860 G HN 0.518 nan 8.290 nan 0.000 0.538 861 S N -1.291 114.413 115.700 0.006 0.000 2.556 861 S HA 0.406 4.883 4.470 0.012 0.000 0.216 861 S C 1.710 176.348 174.600 0.064 0.000 0.970 861 S CA 0.769 58.974 58.200 0.008 0.000 0.912 861 S CB 0.263 63.468 63.200 0.008 0.000 0.790 861 S HN 1.323 nan 8.310 nan 0.000 0.504 862 G N 0.450 109.315 108.800 0.108 0.000 2.176 862 G HA2 -0.254 3.713 3.960 0.012 0.000 0.253 862 G HA3 -0.254 3.713 3.960 0.012 0.000 0.253 862 G C -0.156 174.899 174.900 0.258 0.000 0.979 862 G CA -0.004 45.245 45.100 0.247 0.000 0.641 862 G HN 0.574 nan 8.290 nan 0.000 0.530 863 Q N -0.415 119.466 119.800 0.135 0.000 2.259 863 Q HA 0.711 5.058 4.340 0.012 0.000 0.246 863 Q C 0.326 176.375 176.000 0.082 0.000 0.920 863 Q CA -0.290 55.601 55.803 0.146 0.000 0.895 863 Q CB 1.197 30.003 28.738 0.114 0.000 1.220 863 Q HN 0.425 nan 8.270 nan 0.000 0.439 864 M N 2.128 121.827 119.600 0.166 0.000 2.078 864 M HA 0.554 5.041 4.480 0.012 0.000 0.320 864 M C -1.490 174.930 176.300 0.201 0.000 0.969 864 M CA -0.587 54.786 55.300 0.122 0.000 0.929 864 M CB 1.006 33.707 32.600 0.169 0.000 1.504 864 M HN 0.684 nan 8.290 nan 0.000 0.419 865 A N 7.088 129.983 122.820 0.125 0.000 2.269 865 A HA 0.640 4.967 4.320 0.012 0.000 0.302 865 A C -0.706 176.928 177.584 0.083 0.000 1.266 865 A CA -0.543 51.563 52.037 0.116 0.000 0.894 865 A CB -0.041 19.002 19.000 0.072 0.000 1.147 865 A HN 0.917 nan 8.150 nan 0.000 0.537 866 I N 2.377 122.987 120.570 0.067 0.000 2.354 866 I HA 0.353 4.530 4.170 0.012 0.000 0.292 866 I C -0.151 175.873 176.117 -0.155 0.000 0.989 866 I CA -0.214 61.026 61.300 -0.101 0.000 1.188 866 I CB 2.121 40.085 38.000 -0.060 0.000 1.342 866 I HN 0.482 nan 8.210 nan 0.000 0.457 867 T N 5.660 120.078 114.554 -0.228 0.000 2.812 867 T HA 0.544 4.901 4.350 0.012 0.000 0.282 867 T C -0.359 174.158 174.700 -0.305 0.000 0.990 867 T CA -0.485 61.484 62.100 -0.218 0.000 0.960 867 T CB 1.800 70.633 68.868 -0.058 0.000 0.948 867 T HN 0.215 nan 8.240 nan 0.000 0.438 868 V N 3.458 123.067 119.914 -0.508 0.000 2.540 868 V HA 0.527 4.654 4.120 0.012 0.000 0.302 868 V C -0.733 175.194 176.094 -0.278 0.000 1.035 868 V CA -0.912 61.117 62.300 -0.452 0.000 0.873 868 V CB 2.091 33.377 31.823 -0.894 0.000 0.992 868 V HN 0.842 nan 8.190 nan 0.000 0.428 869 D N 3.122 123.521 120.400 -0.001 0.000 2.549 869 D HA 0.551 5.198 4.640 0.012 0.000 0.251 869 D C -1.082 175.341 176.300 0.205 0.000 1.153 869 D CA -0.097 53.996 54.000 0.156 0.000 0.861 869 D CB 2.771 43.688 40.800 0.196 0.000 1.207 869 D HN 0.261 nan 8.370 nan 0.000 0.543 870 V N 2.225 122.299 119.914 0.267 0.000 2.715 870 V HA 0.328 4.455 4.120 0.012 0.000 0.310 870 V C -0.046 176.198 176.094 0.249 0.000 1.054 870 V CA -0.717 61.757 62.300 0.291 0.000 0.928 870 V CB 2.567 34.608 31.823 0.364 0.000 1.007 870 V HN 0.366 nan 8.190 nan 0.000 0.437 871 E N 2.276 122.606 120.200 0.218 0.000 2.199 871 E HA 0.626 4.983 4.350 0.012 0.000 0.269 871 E C -1.568 175.146 176.600 0.190 0.000 0.899 871 E CA -0.613 55.893 56.400 0.177 0.000 0.772 871 E CB 2.622 32.407 29.700 0.142 0.000 1.155 871 E HN 0.383 nan 8.360 nan 0.000 0.408 872 V N 2.230 122.260 119.914 0.194 0.000 2.407 872 V HA 0.343 4.470 4.120 0.012 0.000 0.291 872 V C 0.094 176.280 176.094 0.154 0.000 1.018 872 V CA -0.896 61.540 62.300 0.226 0.000 0.842 872 V CB 1.413 33.413 31.823 0.295 0.000 0.996 872 V HN 0.848 nan 8.190 nan 0.000 0.426 873 A N 3.713 126.577 122.820 0.074 0.000 2.567 873 A HA 0.219 4.546 4.320 0.012 0.000 0.240 873 A C 1.619 179.271 177.584 0.115 0.000 1.053 873 A CA 0.694 52.766 52.037 0.059 0.000 0.755 873 A CB 0.203 19.202 19.000 -0.002 0.000 0.978 873 A HN 1.343 nan 8.150 nan 0.000 0.507 874 S N 1.250 117.015 115.700 0.108 0.000 2.447 874 S HA -0.144 4.333 4.470 0.012 0.000 0.233 874 S C 0.929 175.608 174.600 0.132 0.000 1.006 874 S CA 1.196 59.481 58.200 0.142 0.000 0.957 874 S CB -0.259 63.007 63.200 0.110 0.000 0.773 874 S HN 0.834 nan 8.310 nan 0.000 0.507 875 D N 0.442 120.894 120.400 0.086 0.000 2.339 875 D HA 0.115 4.762 4.640 0.012 0.000 0.217 875 D C 0.558 176.894 176.300 0.060 0.000 1.050 875 D CA 0.104 54.139 54.000 0.059 0.000 0.856 875 D CB -0.472 40.351 40.800 0.038 0.000 0.922 875 D HN 0.311 nan 8.370 nan 0.000 0.518 876 T N 1.589 116.204 114.554 0.102 0.000 2.909 876 T HA 0.373 4.730 4.350 0.012 0.000 0.286 876 T C -2.586 172.229 174.700 0.192 0.000 1.002 876 T CA -1.966 60.220 62.100 0.144 0.000 1.074 876 T CB 1.181 70.142 68.868 0.154 0.000 0.984 876 T HN -0.128 nan 8.240 nan 0.000 0.495 877 P HA 0.056 nan 4.420 nan 0.000 0.266 877 P C -0.560 177.060 177.300 0.533 0.000 1.195 877 P CA 0.111 63.336 63.100 0.208 0.000 0.768 877 P CB -0.018 31.795 31.700 0.188 0.000 0.838 878 H N 3.519 122.965 119.070 0.626 0.000 3.034 878 H HA 0.061 4.624 4.556 0.012 0.000 0.324 878 H C -1.546 174.120 175.328 0.564 0.000 1.015 878 H CA -1.245 55.101 56.048 0.495 0.000 1.429 878 H CB -0.401 29.582 29.762 0.368 0.000 1.429 878 H HN 0.384 nan 8.280 nan 0.000 0.585 879 P HA 0.025 nan 4.420 nan 0.000 0.277 879 P C 0.076 177.281 177.300 -0.159 0.000 1.240 879 P CA -0.313 62.860 63.100 0.121 0.000 0.798 879 P CB 1.179 32.805 31.700 -0.123 0.000 0.979 880 A N 3.299 125.764 122.820 -0.592 0.000 2.015 880 A HA -0.096 4.231 4.320 0.012 0.000 0.219 880 A C 1.022 178.236 177.584 -0.616 0.000 1.163 880 A CA 1.292 52.962 52.037 -0.610 0.000 0.646 880 A CB -0.531 17.903 19.000 -0.943 0.000 0.806 880 A HN 0.746 nan 8.150 nan 0.000 0.448 881 R N -2.810 117.358 120.500 -0.553 0.000 2.728 881 R HA 0.743 5.090 4.340 0.012 0.000 0.274 881 R C -1.590 174.459 176.300 -0.418 0.000 1.030 881 R CA -0.801 54.993 56.100 -0.510 0.000 0.876 881 R CB 0.890 30.870 30.300 -0.533 0.000 1.259 881 R HN -0.013 nan 8.270 nan 0.000 0.468 882 I N 1.133 121.486 120.570 -0.363 0.000 2.517 882 I HA 0.654 4.831 4.170 0.012 0.000 0.280 882 I C -0.457 175.388 176.117 -0.453 0.000 1.061 882 I CA -0.377 60.718 61.300 -0.342 0.000 1.091 882 I CB 1.810 39.691 38.000 -0.199 0.000 1.205 882 I HN 0.987 nan 8.210 nan 0.000 0.459 883 G N 6.064 114.532 108.800 -0.554 0.000 2.570 883 G HA2 0.718 4.686 3.960 0.012 0.000 0.310 883 G HA3 0.718 4.686 3.960 0.012 0.000 0.310 883 G C -1.769 172.932 174.900 -0.330 0.000 1.266 883 G CA -0.549 44.270 45.100 -0.469 0.000 0.825 883 G HN 0.289 nan 8.290 nan 0.000 0.483 884 L N 0.739 121.824 121.223 -0.229 0.000 2.350 884 L HA 0.654 5.001 4.340 0.012 0.000 0.260 884 L C -0.802 175.957 176.870 -0.185 0.000 1.015 884 L CA -1.151 53.593 54.840 -0.160 0.000 0.821 884 L CB 2.550 44.598 42.059 -0.019 0.000 1.370 884 L HN 0.811 nan 8.230 nan 0.000 0.416 885 N N 0.583 119.206 118.700 -0.128 0.000 2.610 885 N HA 0.717 5.464 4.740 0.012 0.000 0.264 885 N C -1.292 174.227 175.510 0.016 0.000 1.348 885 N CA -0.513 52.500 53.050 -0.061 0.000 0.819 885 N CB 2.414 40.878 38.487 -0.039 0.000 1.521 885 N HN 0.858 nan 8.380 nan 0.000 0.497 886 C N -1.209 118.122 119.300 0.052 0.000 3.303 886 C HA 0.549 5.016 4.460 0.012 0.000 0.340 886 C C -1.184 173.625 174.990 -0.302 0.000 1.274 886 C CA -0.846 58.142 59.018 -0.049 0.000 1.234 886 C CB 0.955 28.695 27.740 0.000 0.000 1.532 886 C HN 0.839 nan 8.230 nan 0.000 0.483 887 Q N 1.503 120.874 119.800 -0.715 0.000 2.368 887 Q HA 0.631 4.978 4.340 0.012 0.000 0.256 887 Q C -0.920 174.790 176.000 -0.484 0.000 0.980 887 Q CA -0.399 54.749 55.803 -1.091 0.000 0.887 887 Q CB 0.866 28.592 28.738 -1.686 0.000 1.221 887 Q HN 0.771 nan 8.270 nan 0.000 0.458 888 L N 2.329 123.372 121.223 -0.300 0.000 2.417 888 L HA 0.262 4.609 4.340 0.012 0.000 0.268 888 L C 1.145 177.952 176.870 -0.106 0.000 1.158 888 L CA -0.200 54.583 54.840 -0.095 0.000 0.819 888 L CB 0.878 42.980 42.059 0.072 0.000 1.112 888 L HN 0.799 nan 8.230 nan 0.000 0.458 889 A N 2.018 124.798 122.820 -0.066 0.000 2.016 889 A HA -0.075 4.252 4.320 0.012 0.000 0.217 889 A C 1.013 178.577 177.584 -0.034 0.000 1.162 889 A CA 0.583 52.572 52.037 -0.080 0.000 0.662 889 A CB -0.199 18.744 19.000 -0.096 0.000 0.812 889 A HN 0.818 nan 8.150 nan 0.000 0.450 890 Q N -0.361 119.453 119.800 0.023 0.000 2.256 890 Q HA 0.511 4.858 4.340 0.012 0.000 0.232 890 Q C -1.475 174.555 176.000 0.050 0.000 0.965 890 Q CA -0.349 55.455 55.803 0.002 0.000 0.908 890 Q CB 1.213 29.927 28.738 -0.040 0.000 1.209 890 Q HN 0.094 nan 8.270 nan 0.000 0.489 891 V N 2.205 122.113 119.914 -0.010 0.000 2.447 891 V HA 0.671 4.798 4.120 0.012 0.000 0.292 891 V C -0.730 175.323 176.094 -0.068 0.000 1.021 891 V CA -0.412 61.919 62.300 0.053 0.000 0.850 891 V CB 0.961 32.801 31.823 0.028 0.000 1.005 891 V HN 0.880 nan 8.190 nan 0.000 0.426 892 A N 3.264 125.973 122.820 -0.185 0.000 2.299 892 A HA 0.714 5.041 4.320 0.012 0.000 0.332 892 A C 0.748 178.345 177.584 0.022 0.000 1.131 892 A CA -0.465 51.413 52.037 -0.264 0.000 0.844 892 A CB 1.100 19.674 19.000 -0.709 0.000 1.251 892 A HN 0.798 nan 8.150 nan 0.000 0.486 893 E N -0.030 120.174 120.200 0.007 0.000 2.152 893 E HA -0.052 4.305 4.350 0.012 0.000 0.192 893 E C 0.085 176.760 176.600 0.125 0.000 0.983 893 E CA 0.743 57.182 56.400 0.064 0.000 0.818 893 E CB 0.138 29.855 29.700 0.028 0.000 0.758 893 E HN 0.442 nan 8.360 nan 0.000 0.467 894 R N 0.117 120.706 120.500 0.148 0.000 2.888 894 R HA 0.520 4.867 4.340 0.012 0.000 0.266 894 R C -0.795 175.695 176.300 0.317 0.000 1.020 894 R CA -0.844 55.373 56.100 0.195 0.000 0.963 894 R CB 1.794 32.178 30.300 0.141 0.000 1.197 894 R HN -0.198 nan 8.270 nan 0.000 0.481 895 V N 1.728 121.830 119.914 0.312 0.000 2.443 895 V HA 0.369 4.496 4.120 0.012 0.000 0.293 895 V C -0.325 176.043 176.094 0.456 0.000 1.021 895 V CA -0.934 61.576 62.300 0.351 0.000 0.848 895 V CB 1.694 33.646 31.823 0.216 0.000 0.998 895 V HN 0.658 nan 8.190 nan 0.000 0.424 896 N N 4.669 123.612 118.700 0.404 0.000 2.354 896 N HA 0.556 5.303 4.740 0.012 0.000 0.287 896 N C -1.335 174.432 175.510 0.428 0.000 1.016 896 N CA -0.413 52.854 53.050 0.362 0.000 0.871 896 N CB 2.698 41.289 38.487 0.173 0.000 1.299 896 N HN 0.836 nan 8.380 nan 0.000 0.482 897 W N 3.201 124.531 121.300 0.049 0.000 3.118 897 W HA 0.579 5.246 4.660 0.011 0.000 0.328 897 W C -2.008 174.466 176.519 -0.074 0.000 1.239 897 W CA -1.110 56.236 57.345 0.001 0.000 1.176 897 W CB 0.735 30.214 29.460 0.032 0.000 1.433 897 W HN 0.210 nan 8.180 nan 0.000 0.562 898 L N 4.137 125.309 121.223 -0.085 0.000 2.283 898 L HA 0.890 5.237 4.340 0.012 0.000 0.281 898 L C 0.029 176.674 176.870 -0.375 0.000 1.033 898 L CA 0.372 54.984 54.840 -0.381 0.000 0.848 898 L CB 0.483 42.414 42.059 -0.214 0.000 1.226 898 L HN 0.973 nan 8.230 nan 0.000 0.429 899 G N 3.517 111.938 108.800 -0.633 0.000 2.335 899 G HA2 0.199 4.166 3.960 0.012 0.000 0.291 899 G HA3 0.199 4.166 3.960 0.012 0.000 0.291 899 G C -1.591 173.250 174.900 -0.098 0.000 1.261 899 G CA -1.060 43.865 45.100 -0.293 0.000 0.871 899 G HN 0.379 nan 8.290 nan 0.000 0.491 900 L N 1.081 122.412 121.223 0.179 0.000 2.410 900 L HA 0.579 4.926 4.340 0.012 0.000 0.273 900 L C 1.103 178.059 176.870 0.144 0.000 1.152 900 L CA 0.885 55.821 54.840 0.160 0.000 0.855 900 L CB 0.545 42.662 42.059 0.097 0.000 1.129 900 L HN 1.156 nan 8.230 nan 0.000 0.463 901 G N 2.885 111.562 108.800 -0.204 0.000 2.427 901 G HA2 0.293 4.260 3.960 0.012 0.000 0.306 901 G HA3 0.293 4.260 3.960 0.012 0.000 0.306 901 G C -2.762 171.322 174.900 -1.360 0.000 1.280 901 G CA -0.297 44.319 45.100 -0.805 0.000 0.837 901 G HN 0.301 nan 8.290 nan 0.000 0.482 902 P HA 0.103 nan 4.420 nan 0.000 0.239 902 P C 0.445 177.539 177.300 -0.343 0.000 1.188 902 P CA 0.553 62.967 63.100 -1.144 0.000 0.794 902 P CB 0.458 31.619 31.700 -0.898 0.000 0.937 903 Q N 0.466 120.063 119.800 -0.337 0.000 2.318 903 Q HA 0.164 4.511 4.340 0.012 0.000 0.222 903 Q C 0.418 176.308 176.000 -0.184 0.000 1.003 903 Q CA -0.628 55.057 55.803 -0.197 0.000 0.936 903 Q CB 0.724 29.367 28.738 -0.157 0.000 1.204 903 Q HN 0.129 nan 8.270 nan 0.000 0.524 904 E N 1.230 121.328 120.200 -0.170 0.000 2.481 904 E HA -0.086 4.271 4.350 0.012 0.000 0.263 904 E C -1.140 175.385 176.600 -0.125 0.000 0.992 904 E CA 0.270 56.559 56.400 -0.185 0.000 0.938 904 E CB 0.291 29.936 29.700 -0.092 0.000 0.933 904 E HN 0.632 nan 8.360 nan 0.000 0.453 905 N N 2.476 121.037 118.700 -0.231 0.000 2.367 905 N HA 0.304 5.051 4.740 0.012 0.000 0.278 905 N C -1.865 173.436 175.510 -0.349 0.000 1.117 905 N CA -0.683 52.279 53.050 -0.146 0.000 0.867 905 N CB 0.708 39.125 38.487 -0.118 0.000 1.649 905 N HN 0.236 nan 8.380 nan 0.000 0.479 906 Y N 0.231 120.449 120.300 -0.136 0.000 2.630 906 Y HA 0.512 5.069 4.550 0.012 0.000 0.337 906 Y C -1.623 174.212 175.900 -0.108 0.000 1.051 906 Y CA -2.059 55.950 58.100 -0.152 0.000 1.121 906 Y CB 1.809 40.182 38.460 -0.145 0.000 1.299 906 Y HN 0.438 nan 8.280 nan 0.000 0.498 907 P HA -0.193 nan 4.420 nan 0.000 0.216 907 P C 0.352 177.529 177.300 -0.206 0.000 1.154 907 P CA 2.228 65.366 63.100 0.063 0.000 0.865 907 P CB 0.200 32.052 31.700 0.253 0.000 0.789 908 D N -2.614 117.459 120.400 -0.545 0.000 2.363 908 D HA 0.016 4.663 4.640 0.012 0.000 0.214 908 D C 0.749 176.899 176.300 -0.249 0.000 1.093 908 D CA 0.080 53.545 54.000 -0.892 0.000 0.837 908 D CB -0.250 39.784 40.800 -1.278 0.000 0.948 908 D HN 0.119 nan 8.370 nan 0.000 0.507 909 R N 1.094 121.550 120.500 -0.074 0.000 2.638 909 R HA 0.211 4.558 4.340 0.012 0.000 0.261 909 R C -0.579 175.758 176.300 0.061 0.000 1.515 909 R CA -0.157 55.964 56.100 0.036 0.000 1.623 909 R CB 0.075 30.404 30.300 0.048 0.000 1.347 909 R HN 0.091 nan 8.270 nan 0.000 0.705 910 L N -1.896 119.370 121.223 0.072 0.000 3.386 910 L HA 0.329 4.676 4.340 0.012 0.000 0.307 910 L C 1.377 178.308 176.870 0.101 0.000 1.235 910 L CA 0.050 54.930 54.840 0.067 0.000 1.056 910 L CB 0.117 42.205 42.059 0.048 0.000 1.453 910 L HN 0.072 nan 8.230 nan 0.000 0.615 911 T N -2.399 112.243 114.554 0.146 0.000 2.833 911 T HA -0.036 4.321 4.350 0.012 0.000 0.269 911 T C 1.800 176.542 174.700 0.070 0.000 1.054 911 T CA 1.385 63.593 62.100 0.181 0.000 1.135 911 T CB -0.363 68.671 68.868 0.276 0.000 0.869 911 T HN 0.386 nan 8.240 nan 0.000 0.466 912 A N 1.628 124.492 122.820 0.074 0.000 2.119 912 A HA 0.630 4.957 4.320 0.012 0.000 0.217 912 A C 1.619 179.274 177.584 0.118 0.000 1.153 912 A CA 0.556 52.575 52.037 -0.029 0.000 0.692 912 A CB -0.960 18.181 19.000 0.235 0.000 0.799 912 A HN 0.857 nan 8.150 nan 0.000 0.458 913 A N -1.144 121.702 122.820 0.044 0.000 2.386 913 A HA 0.458 4.785 4.320 0.012 0.000 0.248 913 A C 0.011 177.617 177.584 0.036 0.000 1.082 913 A CA -0.052 51.974 52.037 -0.019 0.000 0.789 913 A CB -0.068 18.913 19.000 -0.032 0.000 1.025 913 A HN 0.491 nan 8.150 nan 0.000 0.490 914 C N 0.367 119.682 119.300 0.025 0.000 2.561 914 C HA 0.538 5.005 4.460 0.012 0.000 0.319 914 C C -0.132 174.937 174.990 0.131 0.000 1.198 914 C CA -0.542 58.535 59.018 0.098 0.000 1.665 914 C CB 0.799 28.615 27.740 0.126 0.000 2.258 914 C HN 0.796 nan 8.230 nan 0.000 0.493 915 F N 3.628 123.374 119.950 -0.341 0.000 2.472 915 F HA 0.470 5.004 4.527 0.012 0.000 0.364 915 F C 0.385 175.806 175.800 -0.632 0.000 1.090 915 F CA 1.298 58.943 58.000 -0.593 0.000 1.188 915 F CB 0.020 38.083 39.000 -1.562 0.000 1.105 915 F HN 0.643 nan 8.300 nan 0.000 0.536 916 D N 3.342 123.141 120.400 -1.002 0.000 2.879 916 D HA 0.165 4.812 4.640 0.012 0.000 0.346 916 D C -1.681 173.759 176.300 -1.432 0.000 1.390 916 D CA -0.727 52.598 54.000 -1.124 0.000 0.838 916 D CB 1.391 41.450 40.800 -1.235 0.000 1.416 916 D HN 0.490 nan 8.370 nan 0.000 0.493 917 R N 0.760 120.510 120.500 -1.250 0.000 2.207 917 R HA 0.515 4.862 4.340 0.012 0.000 0.334 917 R C -1.377 174.196 176.300 -1.211 0.000 1.013 917 R CA -0.228 55.281 56.100 -0.984 0.000 0.858 917 R CB 0.182 30.160 30.300 -0.537 0.000 1.094 917 R HN 0.272 nan 8.270 nan 0.000 0.457 918 W N 2.856 123.652 121.300 -0.839 0.000 2.627 918 W HA 0.412 5.079 4.660 0.012 0.000 0.339 918 W C -0.411 175.778 176.519 -0.550 0.000 1.058 918 W CA -0.656 56.130 57.345 -0.932 0.000 1.223 918 W CB 1.665 30.031 29.460 -1.824 0.000 1.389 918 W HN 0.394 nan 8.180 nan 0.000 0.541 919 D N 3.103 123.496 120.400 -0.011 0.000 2.616 919 D HA 0.405 5.052 4.640 0.012 0.000 0.238 919 D C -1.523 174.891 176.300 0.190 0.000 1.354 919 D CA -0.128 53.948 54.000 0.127 0.000 0.970 919 D CB 0.908 41.729 40.800 0.035 0.000 1.369 919 D HN 0.383 nan 8.370 nan 0.000 0.585 920 L N 3.071 124.474 121.223 0.301 0.000 2.350 920 L HA 0.564 4.911 4.340 0.012 0.000 0.260 920 L C -2.293 174.690 176.870 0.189 0.000 1.015 920 L CA -2.168 52.812 54.840 0.233 0.000 0.821 920 L CB 2.643 44.877 42.059 0.292 0.000 1.370 920 L HN 0.170 nan 8.230 nan 0.000 0.416 921 P HA 0.017 nan 4.420 nan 0.000 0.269 921 P C 0.567 177.937 177.300 0.116 0.000 1.215 921 P CA -0.355 62.812 63.100 0.110 0.000 0.780 921 P CB 0.905 32.651 31.700 0.077 0.000 0.898 922 L N 3.311 124.607 121.223 0.122 0.000 2.043 922 L HA -0.259 4.088 4.340 0.012 0.000 0.212 922 L C 2.223 179.130 176.870 0.063 0.000 1.075 922 L CA 2.769 57.669 54.840 0.099 0.000 0.752 922 L CB -1.562 40.570 42.059 0.121 0.000 0.891 922 L HN 0.449 nan 8.230 nan 0.000 0.432 923 S N -1.864 113.877 115.700 0.069 0.000 2.442 923 S HA -0.160 4.317 4.470 0.012 0.000 0.236 923 S C 1.545 176.206 174.600 0.102 0.000 1.007 923 S CA 1.048 59.303 58.200 0.093 0.000 0.965 923 S CB -0.773 62.480 63.200 0.089 0.000 0.773 923 S HN 0.527 nan 8.310 nan 0.000 0.504 924 D N 1.109 121.548 120.400 0.064 0.000 2.378 924 D HA 0.097 4.744 4.640 0.012 0.000 0.227 924 D C 1.022 177.317 176.300 -0.008 0.000 1.012 924 D CA 0.550 54.567 54.000 0.028 0.000 0.905 924 D CB -0.083 40.740 40.800 0.039 0.000 0.895 924 D HN 0.394 nan 8.370 nan 0.000 0.532 925 M N -0.409 119.193 119.600 0.003 0.000 2.431 925 M HA 0.080 4.567 4.480 0.012 0.000 0.237 925 M C -0.130 176.156 176.300 -0.024 0.000 1.130 925 M CA -0.153 55.099 55.300 -0.080 0.000 1.002 925 M CB -0.630 31.907 32.600 -0.104 0.000 1.524 925 M HN -0.054 nan 8.290 nan 0.000 0.482 926 Y N -0.079 120.165 120.300 -0.094 0.000 2.425 926 Y HA 0.525 5.082 4.550 0.012 0.000 0.344 926 Y C -0.847 174.987 175.900 -0.109 0.000 0.969 926 Y CA -0.936 57.127 58.100 -0.061 0.000 1.052 926 Y CB 1.345 39.832 38.460 0.045 0.000 1.215 926 Y HN -0.102 nan 8.280 nan 0.000 0.451 927 T N 8.770 122.845 114.554 -0.798 0.000 2.756 927 T HA 0.285 4.642 4.350 0.012 0.000 0.290 927 T C -2.666 171.223 174.700 -1.351 0.000 0.985 927 T CA -1.527 59.992 62.100 -0.969 0.000 0.955 927 T CB 1.094 69.458 68.868 -0.841 0.000 0.930 927 T HN 0.469 nan 8.240 nan 0.000 0.451 928 P HA 0.107 nan 4.420 nan 0.000 0.225 928 P C -0.605 176.526 177.300 -0.281 0.000 1.768 928 P CA -0.420 62.227 63.100 -0.754 0.000 0.943 928 P CB -0.723 30.691 31.700 -0.476 0.000 1.936 929 Y N -0.308 119.912 120.300 -0.134 0.000 2.712 929 Y HA -0.105 4.452 4.550 0.012 0.000 0.333 929 Y C 2.307 178.261 175.900 0.090 0.000 1.225 929 Y CA -0.556 57.547 58.100 0.005 0.000 1.499 929 Y CB 0.550 38.960 38.460 -0.084 0.000 1.288 929 Y HN -0.097 nan 8.280 nan 0.000 0.575 930 V N 3.538 123.691 119.914 0.400 0.000 2.282 930 V HA -0.321 3.806 4.120 0.012 0.000 0.249 930 V C 0.545 176.829 176.094 0.316 0.000 1.057 930 V CA 1.546 64.055 62.300 0.348 0.000 1.032 930 V CB -0.549 31.515 31.823 0.401 0.000 0.645 930 V HN 0.592 nan 8.190 nan 0.000 0.447 931 F N 3.215 123.239 119.950 0.123 0.000 2.371 931 F HA 0.508 5.042 4.527 0.012 0.000 0.363 931 F C -2.456 173.368 175.800 0.040 0.000 1.122 931 F CA -3.372 54.650 58.000 0.035 0.000 1.129 931 F CB 0.810 39.731 39.000 -0.132 0.000 1.173 931 F HN -0.004 nan 8.300 nan 0.000 0.489 932 P HA 0.236 nan 4.420 nan 0.000 0.271 932 P C -1.025 176.020 177.300 -0.425 0.000 1.216 932 P CA 0.073 62.946 63.100 -0.380 0.000 0.776 932 P CB 1.274 32.764 31.700 -0.349 0.000 0.881 933 S N 0.202 115.837 115.700 -0.108 0.000 2.757 933 S HA 0.465 4.942 4.470 0.012 0.000 0.285 933 S C -0.720 173.898 174.600 0.030 0.000 1.196 933 S CA -0.946 57.230 58.200 -0.041 0.000 0.856 933 S CB 0.407 63.626 63.200 0.033 0.000 1.212 933 S HN 0.337 nan 8.310 nan 0.000 0.516 934 E N 1.162 121.390 120.200 0.047 0.000 2.502 934 E HA 0.368 4.725 4.350 0.012 0.000 0.261 934 E C -0.193 176.479 176.600 0.119 0.000 0.974 934 E CA 0.747 57.196 56.400 0.082 0.000 0.936 934 E CB -0.188 29.585 29.700 0.122 0.000 0.926 934 E HN 0.798 nan 8.360 nan 0.000 0.459 935 N N 1.289 120.085 118.700 0.160 0.000 3.116 935 N HA 0.466 5.213 4.740 0.012 0.000 0.244 935 N C 0.157 175.720 175.510 0.089 0.000 1.485 935 N CA -0.565 52.609 53.050 0.206 0.000 0.884 935 N CB 0.790 39.374 38.487 0.163 0.000 1.415 935 N HN 0.732 nan 8.380 nan 0.000 0.524 936 G N -1.281 107.526 108.800 0.011 0.000 2.168 936 G HA2 -0.272 3.695 3.960 0.012 0.000 0.263 936 G HA3 -0.272 3.695 3.960 0.012 0.000 0.263 936 G C -0.180 174.463 174.900 -0.428 0.000 0.977 936 G CA 0.456 45.441 45.100 -0.192 0.000 0.659 936 G HN 0.693 nan 8.290 nan 0.000 0.533 937 L N -0.056 120.849 121.223 -0.530 0.000 2.499 937 L HA 0.624 4.971 4.340 0.012 0.000 0.281 937 L C 0.705 177.016 176.870 -0.933 0.000 1.234 937 L CA 0.574 54.857 54.840 -0.928 0.000 0.839 937 L CB 0.521 41.700 42.059 -1.468 0.000 1.104 937 L HN 0.275 nan 8.230 nan 0.000 0.500 938 R N 2.237 122.114 120.500 -1.040 0.000 2.575 938 R HA 0.517 4.864 4.340 0.012 0.000 0.293 938 R C -1.082 174.880 176.300 -0.562 0.000 0.983 938 R CA -0.280 55.346 56.100 -0.791 0.000 0.887 938 R CB 1.463 31.166 30.300 -0.995 0.000 1.184 938 R HN 0.695 nan 8.270 nan 0.000 0.445 939 C N 0.177 119.296 119.300 -0.301 0.000 2.451 939 C HA 0.756 5.223 4.460 0.012 0.000 0.391 939 C C 1.277 176.254 174.990 -0.023 0.000 1.286 939 C CA -0.024 58.892 59.018 -0.170 0.000 1.935 939 C CB 1.414 29.073 27.740 -0.134 0.000 2.188 939 C HN 1.022 nan 8.230 nan 0.000 0.523 940 G N 1.543 110.338 108.800 -0.009 0.000 2.283 940 G HA2 -0.192 3.775 3.960 0.012 0.000 0.280 940 G HA3 -0.192 3.775 3.960 0.012 0.000 0.280 940 G C -0.039 174.912 174.900 0.084 0.000 1.029 940 G CA 0.593 45.740 45.100 0.079 0.000 0.840 940 G HN 0.803 nan 8.290 nan 0.000 0.505 941 T N 0.136 114.622 114.554 -0.114 0.000 2.780 941 T HA 0.487 4.844 4.350 0.012 0.000 0.294 941 T C 1.389 175.744 174.700 -0.575 0.000 0.949 941 T CA -0.466 61.489 62.100 -0.241 0.000 1.074 941 T CB 1.268 70.054 68.868 -0.136 0.000 0.910 941 T HN 0.223 nan 8.240 nan 0.000 0.501 942 R N 1.625 122.011 120.500 -0.191 0.000 2.254 942 R HA 0.283 4.630 4.340 0.012 0.000 0.193 942 R C 0.551 176.865 176.300 0.024 0.000 0.929 942 R CA 0.233 56.289 56.100 -0.073 0.000 1.038 942 R CB 0.396 30.794 30.300 0.164 0.000 1.009 942 R HN 0.684 nan 8.270 nan 0.000 0.512 943 E N 0.579 120.810 120.200 0.052 0.000 2.321 943 E HA 0.317 4.674 4.350 0.012 0.000 0.281 943 E C -1.824 174.915 176.600 0.231 0.000 0.910 943 E CA -0.666 55.849 56.400 0.193 0.000 0.770 943 E CB 1.548 31.323 29.700 0.126 0.000 1.225 943 E HN -0.097 nan 8.360 nan 0.000 0.417 944 L N 4.155 125.577 121.223 0.331 0.000 2.385 944 L HA 0.588 4.935 4.340 0.012 0.000 0.273 944 L C -1.790 175.267 176.870 0.311 0.000 0.990 944 L CA -0.425 54.538 54.840 0.205 0.000 0.821 944 L CB 1.724 43.733 42.059 -0.085 0.000 1.279 944 L HN 0.462 nan 8.230 nan 0.000 0.412 945 N N 4.617 123.468 118.700 0.252 0.000 2.354 945 N HA 0.385 5.132 4.740 0.012 0.000 0.287 945 N C -1.967 173.756 175.510 0.356 0.000 1.016 945 N CA -0.268 52.926 53.050 0.239 0.000 0.871 945 N CB 2.136 40.707 38.487 0.139 0.000 1.299 945 N HN 0.587 nan 8.380 nan 0.000 0.482 946 Y N 1.228 121.656 120.300 0.214 0.000 2.307 946 Y HA 0.396 4.953 4.550 0.012 0.000 0.323 946 Y C 0.686 176.691 175.900 0.175 0.000 1.100 946 Y CA 0.078 58.311 58.100 0.221 0.000 1.140 946 Y CB 0.591 39.246 38.460 0.326 0.000 1.159 946 Y HN 0.854 nan 8.280 nan 0.000 0.436 947 G N 6.518 115.179 108.800 -0.231 0.000 2.596 947 G HA2 -0.317 3.650 3.960 0.012 0.000 0.304 947 G HA3 -0.317 3.650 3.960 0.012 0.000 0.304 947 G C -1.717 173.075 174.900 -0.181 0.000 1.189 947 G CA 0.286 45.219 45.100 -0.277 0.000 0.986 947 G HN 0.529 nan 8.290 nan 0.000 0.548 948 P HA 0.164 nan 4.420 nan 0.000 0.235 948 P C 0.410 177.481 177.300 -0.381 0.000 1.177 948 P CA 0.791 63.688 63.100 -0.339 0.000 0.785 948 P CB 0.004 31.418 31.700 -0.477 0.000 0.885 949 H N 0.336 119.313 119.070 -0.154 0.000 2.505 949 H HA 0.389 4.952 4.556 0.012 0.000 0.351 949 H C 0.016 175.011 175.328 -0.556 0.000 1.151 949 H CA 0.090 55.889 56.048 -0.415 0.000 1.339 949 H CB 1.308 30.562 29.762 -0.847 0.000 1.483 949 H HN 0.076 nan 8.280 nan 0.000 0.558 950 Q N 2.537 122.017 119.800 -0.533 0.000 2.304 950 Q HA 0.234 4.581 4.340 0.012 0.000 0.270 950 Q C -1.583 174.104 176.000 -0.523 0.000 1.035 950 Q CA -0.696 54.893 55.803 -0.356 0.000 0.781 950 Q CB 1.774 30.457 28.738 -0.092 0.000 1.261 950 Q HN 0.582 nan 8.270 nan 0.000 0.444 951 W N 4.238 125.482 121.300 -0.093 0.000 2.600 951 W HA 0.548 5.215 4.660 0.012 0.000 0.325 951 W C -0.333 176.258 176.519 0.120 0.000 1.034 951 W CA -0.798 56.459 57.345 -0.146 0.000 1.226 951 W CB 1.794 30.958 29.460 -0.494 0.000 1.379 951 W HN 0.484 nan 8.180 nan 0.000 0.466 952 R N 1.120 121.850 120.500 0.383 0.000 2.599 952 R HA 0.797 5.144 4.340 0.012 0.000 0.295 952 R C 0.270 176.846 176.300 0.459 0.000 0.963 952 R CA -0.444 55.898 56.100 0.403 0.000 0.883 952 R CB 2.327 32.773 30.300 0.243 0.000 1.171 952 R HN 0.748 nan 8.270 nan 0.000 0.450 953 G N 0.828 109.906 108.800 0.464 0.000 2.566 953 G HA2 0.011 3.978 3.960 0.012 0.000 0.138 953 G HA3 0.011 3.978 3.960 0.012 0.000 0.138 953 G C -1.717 173.302 174.900 0.198 0.000 1.133 953 G CA -0.334 44.998 45.100 0.386 0.000 1.037 953 G HN 0.486 nan 8.290 nan 0.000 0.491 954 D N 0.032 120.548 120.400 0.192 0.000 2.472 954 D HA 0.572 5.219 4.640 0.012 0.000 0.248 954 D C -0.697 175.596 176.300 -0.012 0.000 1.271 954 D CA -0.506 53.494 54.000 -0.001 0.000 0.888 954 D CB 0.075 40.919 40.800 0.072 0.000 1.337 954 D HN 0.508 nan 8.370 nan 0.000 0.526 955 F N -0.449 119.497 119.950 -0.008 0.000 2.790 955 F HA 0.728 5.262 4.527 0.012 0.000 0.337 955 F C -1.020 174.739 175.800 -0.068 0.000 1.163 955 F CA -1.027 56.906 58.000 -0.113 0.000 0.997 955 F CB 0.743 39.677 39.000 -0.109 0.000 1.437 955 F HN -0.173 nan 8.300 nan 0.000 0.512 956 Q N 1.589 121.483 119.800 0.157 0.000 2.345 956 Q HA 0.627 4.974 4.340 0.012 0.000 0.268 956 Q C -1.309 174.760 176.000 0.116 0.000 1.054 956 Q CA -0.482 55.326 55.803 0.008 0.000 0.835 956 Q CB 2.679 31.304 28.738 -0.188 0.000 1.339 956 Q HN 0.862 nan 8.270 nan 0.000 0.447 957 F N -0.964 118.873 119.950 -0.189 0.000 2.686 957 F HA 0.757 5.291 4.527 0.012 0.000 0.311 957 F C -1.496 174.084 175.800 -0.367 0.000 1.128 957 F CA -1.110 56.729 58.000 -0.267 0.000 0.946 957 F CB 1.580 40.439 39.000 -0.235 0.000 1.336 957 F HN 0.561 nan 8.300 nan 0.000 0.457 958 N N 1.404 119.905 118.700 -0.332 0.000 2.284 958 N HA 0.748 5.495 4.740 0.012 0.000 0.289 958 N C -2.046 173.381 175.510 -0.138 0.000 1.179 958 N CA -0.756 52.080 53.050 -0.357 0.000 0.774 958 N CB 2.656 40.963 38.487 -0.300 0.000 1.548 958 N HN 1.149 nan 8.380 nan 0.000 0.473 959 I N 0.197 120.680 120.570 -0.146 0.000 2.710 959 I HA 0.666 4.843 4.170 0.012 0.000 0.290 959 I C -1.539 174.485 176.117 -0.154 0.000 1.318 959 I CA 0.054 61.248 61.300 -0.176 0.000 1.045 959 I CB 1.377 39.214 38.000 -0.271 0.000 1.307 959 I HN 1.083 nan 8.210 nan 0.000 0.424 960 S N 6.182 121.806 115.700 -0.127 0.000 2.656 960 S HA 0.493 4.970 4.470 0.012 0.000 0.265 960 S C -0.387 174.104 174.600 -0.182 0.000 1.132 960 S CA -0.998 57.120 58.200 -0.137 0.000 0.819 960 S CB 1.604 64.780 63.200 -0.039 0.000 1.119 960 S HN 0.667 nan 8.310 nan 0.000 0.476 961 R N -0.040 120.191 120.500 -0.447 0.000 2.356 961 R HA 0.245 4.592 4.340 0.012 0.000 0.234 961 R C -0.923 175.037 176.300 -0.568 0.000 0.929 961 R CA 0.286 56.097 56.100 -0.482 0.000 1.084 961 R CB -0.813 29.117 30.300 -0.617 0.000 1.105 961 R HN 0.652 nan 8.270 nan 0.000 0.515 962 Y N 0.234 120.511 120.300 -0.037 0.000 2.361 962 Y HA 0.197 4.755 4.550 0.012 0.000 0.337 962 Y C 0.624 176.344 175.900 -0.300 0.000 0.965 962 Y CA -1.130 56.871 58.100 -0.166 0.000 1.091 962 Y CB 1.466 39.770 38.460 -0.260 0.000 1.182 962 Y HN -0.081 nan 8.280 nan 0.000 0.450 963 S N 1.573 116.990 115.700 -0.472 0.000 2.593 963 S HA 0.039 4.516 4.470 0.012 0.000 0.269 963 S C 0.910 175.199 174.600 -0.518 0.000 1.334 963 S CA -0.739 56.836 58.200 -1.043 0.000 1.015 963 S CB 1.142 63.528 63.200 -1.356 0.000 0.912 963 S HN 0.717 nan 8.310 nan 0.000 0.541 964 Q N 0.784 120.282 119.800 -0.504 0.000 2.124 964 Q HA -0.196 4.151 4.340 0.012 0.000 0.202 964 Q C 2.238 178.103 176.000 -0.224 0.000 0.977 964 Q CA 1.875 57.517 55.803 -0.269 0.000 0.850 964 Q CB -0.558 28.042 28.738 -0.229 0.000 0.901 964 Q HN 0.984 nan 8.270 nan 0.000 0.429 965 Q N 0.529 120.155 119.800 -0.291 0.000 2.050 965 Q HA -0.221 4.126 4.340 0.012 0.000 0.202 965 Q C 2.141 178.039 176.000 -0.170 0.000 0.980 965 Q CA 1.624 57.317 55.803 -0.183 0.000 0.840 965 Q CB -0.005 28.633 28.738 -0.167 0.000 0.898 965 Q HN 0.404 nan 8.270 nan 0.000 0.424 966 Q N 0.050 119.719 119.800 -0.219 0.000 2.020 966 Q HA -0.177 4.170 4.340 0.012 0.000 0.202 966 Q C 2.233 178.105 176.000 -0.213 0.000 0.982 966 Q CA 1.548 57.226 55.803 -0.208 0.000 0.838 966 Q CB -0.132 28.454 28.738 -0.253 0.000 0.899 966 Q HN 0.505 nan 8.270 nan 0.000 0.423 967 L N 0.122 121.222 121.223 -0.206 0.000 2.079 967 L HA -0.212 4.135 4.340 0.012 0.000 0.210 967 L C 2.680 179.430 176.870 -0.200 0.000 1.081 967 L CA 1.130 55.846 54.840 -0.207 0.000 0.752 967 L CB -0.323 41.651 42.059 -0.141 0.000 0.896 967 L HN 0.406 nan 8.230 nan 0.000 0.433 968 M N -0.592 118.922 119.600 -0.143 0.000 2.394 968 M HA -0.158 4.329 4.480 0.012 0.000 0.264 968 M C 1.513 177.746 176.300 -0.112 0.000 1.073 968 M CA 1.531 56.766 55.300 -0.109 0.000 1.111 968 M CB 0.119 32.673 32.600 -0.077 0.000 1.401 968 M HN 0.210 nan 8.290 nan 0.000 0.448 969 E N -0.814 119.315 120.200 -0.119 0.000 2.479 969 E HA 0.051 4.408 4.350 0.012 0.000 0.193 969 E C -0.323 176.221 176.600 -0.094 0.000 1.049 969 E CA 0.113 56.461 56.400 -0.087 0.000 0.870 969 E CB 0.448 30.109 29.700 -0.065 0.000 0.944 969 E HN 0.280 nan 8.360 nan 0.000 0.492 970 T N 0.148 114.610 114.554 -0.154 0.000 2.797 970 T HA 0.124 4.481 4.350 0.012 0.000 0.279 970 T C 0.970 175.570 174.700 -0.167 0.000 0.991 970 T CA -0.575 61.434 62.100 -0.152 0.000 0.979 970 T CB 1.719 70.453 68.868 -0.222 0.000 0.943 970 T HN 0.014 nan 8.240 nan 0.000 0.444 971 S N 1.382 117.083 115.700 0.002 0.000 2.524 971 S HA 0.123 4.601 4.470 0.012 0.000 0.216 971 S C 0.204 174.871 174.600 0.113 0.000 0.987 971 S CA 0.160 58.443 58.200 0.139 0.000 0.909 971 S CB -0.220 63.216 63.200 0.393 0.000 0.781 971 S HN 0.751 nan 8.310 nan 0.000 0.521 972 H N 0.389 119.446 119.070 -0.022 0.000 2.865 972 H HA 0.471 5.034 4.556 0.012 0.000 0.362 972 H C 0.948 176.223 175.328 -0.089 0.000 1.114 972 H CA -0.780 55.302 56.048 0.057 0.000 1.208 972 H CB 1.448 31.229 29.762 0.031 0.000 1.727 972 H HN 0.043 nan 8.280 nan 0.000 0.534 973 R N 2.055 122.642 120.500 0.146 0.000 2.103 973 R HA -0.195 4.152 4.340 0.012 0.000 0.242 973 R C 1.194 177.482 176.300 -0.019 0.000 1.142 973 R CA 2.147 58.271 56.100 0.041 0.000 0.960 973 R CB -0.563 29.802 30.300 0.108 0.000 0.858 973 R HN 0.847 nan 8.270 nan 0.000 0.439 974 H N 0.804 119.861 119.070 -0.022 0.000 2.561 974 H HA 0.034 4.597 4.556 0.012 0.000 0.278 974 H C 1.483 176.712 175.328 -0.166 0.000 1.014 974 H CA 0.742 56.735 56.048 -0.092 0.000 1.211 974 H CB -0.162 29.542 29.762 -0.096 0.000 1.365 974 H HN 0.323 nan 8.280 nan 0.000 0.594 975 L N 0.781 121.574 121.223 -0.717 0.000 2.592 975 L HA 0.219 4.566 4.340 0.012 0.000 0.227 975 L C 0.731 177.419 176.870 -0.303 0.000 1.127 975 L CA -0.130 54.370 54.840 -0.566 0.000 0.884 975 L CB 0.186 41.921 42.059 -0.540 0.000 1.065 975 L HN 0.080 nan 8.230 nan 0.000 0.457 976 L N 0.394 121.432 121.223 -0.309 0.000 2.436 976 L HA 0.174 4.521 4.340 0.012 0.000 0.265 976 L C 0.141 176.932 176.870 -0.131 0.000 1.168 976 L CA -0.250 54.375 54.840 -0.358 0.000 0.815 976 L CB 0.569 42.218 42.059 -0.684 0.000 1.109 976 L HN 0.198 nan 8.230 nan 0.000 0.462 977 H N 1.248 120.344 119.070 0.043 0.000 2.609 977 H HA 0.584 5.147 4.556 0.012 0.000 0.344 977 H C -0.727 174.725 175.328 0.207 0.000 1.040 977 H CA -1.196 54.918 56.048 0.111 0.000 1.216 977 H CB 1.190 30.969 29.762 0.027 0.000 1.529 977 H HN 0.684 nan 8.280 nan 0.000 0.519 978 A N 3.624 126.588 122.820 0.239 0.000 2.531 978 A HA 0.086 4.413 4.320 0.012 0.000 0.236 978 A C 0.365 178.020 177.584 0.118 0.000 1.062 978 A CA -0.115 51.903 52.037 -0.031 0.000 0.760 978 A CB 0.159 19.081 19.000 -0.129 0.000 0.995 978 A HN 0.877 nan 8.150 nan 0.000 0.501 979 E N 0.200 120.442 120.200 0.070 0.000 2.330 979 E HA 0.271 4.628 4.350 0.012 0.000 0.256 979 E C -0.116 176.522 176.600 0.062 0.000 1.146 979 E CA -0.692 55.814 56.400 0.176 0.000 0.945 979 E CB 0.728 30.604 29.700 0.292 0.000 1.182 979 E HN 0.798 nan 8.360 nan 0.000 0.480 980 E N 0.139 120.367 120.200 0.047 0.000 2.392 980 E HA 0.249 4.606 4.350 0.012 0.000 0.264 980 E C 0.309 176.860 176.600 -0.080 0.000 1.024 980 E CA 0.501 56.888 56.400 -0.021 0.000 0.903 980 E CB 0.359 30.042 29.700 -0.029 0.000 0.963 980 E HN 0.658 nan 8.360 nan 0.000 0.432 981 G N 2.719 111.474 108.800 -0.075 0.000 2.645 981 G HA2 -0.228 3.739 3.960 0.012 0.000 0.239 981 G HA3 -0.228 3.739 3.960 0.012 0.000 0.239 981 G C -0.620 174.223 174.900 -0.096 0.000 1.331 981 G CA -0.136 44.906 45.100 -0.097 0.000 0.890 981 G HN 0.680 nan 8.290 nan 0.000 0.572 982 T N 0.094 114.579 114.554 -0.116 0.000 2.879 982 T HA 0.507 4.864 4.350 0.012 0.000 0.290 982 T C -0.830 173.749 174.700 -0.202 0.000 0.993 982 T CA -0.170 61.872 62.100 -0.095 0.000 0.975 982 T CB 1.446 70.340 68.868 0.043 0.000 0.981 982 T HN 0.568 nan 8.240 nan 0.000 0.439 983 W N 3.167 124.374 121.300 -0.155 0.000 2.322 983 W HA 0.614 5.281 4.660 0.012 0.000 0.307 983 W C -0.299 176.089 176.519 -0.219 0.000 1.220 983 W CA -0.668 56.582 57.345 -0.158 0.000 1.210 983 W CB 0.787 30.165 29.460 -0.136 0.000 1.223 983 W HN 0.405 nan 8.180 nan 0.000 0.511 984 L N 5.555 126.784 121.223 0.010 0.000 2.333 984 L HA 0.530 4.877 4.340 0.012 0.000 0.280 984 L C -0.978 175.796 176.870 -0.161 0.000 1.004 984 L CA -0.385 54.337 54.840 -0.197 0.000 0.820 984 L CB 0.911 42.698 42.059 -0.455 0.000 1.247 984 L HN 0.307 nan 8.230 nan 0.000 0.416 985 N N 6.991 125.578 118.700 -0.189 0.000 2.443 985 N HA 0.488 5.236 4.740 0.012 0.000 0.269 985 N C -1.290 174.066 175.510 -0.256 0.000 0.985 985 N CA -0.260 52.675 53.050 -0.192 0.000 0.921 985 N CB 2.276 40.676 38.487 -0.146 0.000 1.195 985 N HN 0.542 nan 8.380 nan 0.000 0.492 986 I N 1.888 122.262 120.570 -0.327 0.000 2.410 986 I HA 0.248 4.425 4.170 0.012 0.000 0.286 986 I C -0.740 175.177 176.117 -0.334 0.000 1.009 986 I CA -0.575 60.492 61.300 -0.389 0.000 1.111 986 I CB 1.806 39.410 38.000 -0.661 0.000 1.262 986 I HN 0.169 nan 8.210 nan 0.000 0.443 987 D N 4.413 124.653 120.400 -0.265 0.000 2.192 987 D HA 0.305 4.952 4.640 0.012 0.000 0.246 987 D C 0.995 177.000 176.300 -0.492 0.000 1.042 987 D CA -0.237 53.544 54.000 -0.366 0.000 0.847 987 D CB 2.581 43.268 40.800 -0.189 0.000 1.186 987 D HN 0.698 nan 8.370 nan 0.000 0.461 988 G N 1.013 109.234 108.800 -0.965 0.000 2.408 988 G HA2 -0.008 3.959 3.960 0.012 0.000 0.215 988 G HA3 -0.008 3.959 3.960 0.012 0.000 0.215 988 G C 0.086 174.188 174.900 -1.330 0.000 1.156 988 G CA 0.553 44.962 45.100 -1.152 0.000 0.793 988 G HN 0.376 nan 8.290 nan 0.000 0.535 989 F N -2.028 117.724 119.950 -0.330 0.000 2.601 989 F HA 0.599 5.132 4.527 0.012 0.000 0.309 989 F C -0.571 175.122 175.800 -0.177 0.000 1.089 989 F CA -1.129 56.749 58.000 -0.203 0.000 0.940 989 F CB 2.208 40.994 39.000 -0.358 0.000 1.273 989 F HN 0.045 nan 8.300 nan 0.000 0.450 990 H N 1.912 120.980 119.070 -0.005 0.000 2.865 990 H HA 0.544 5.107 4.556 0.012 0.000 0.362 990 H C -0.913 174.438 175.328 0.039 0.000 1.114 990 H CA -0.847 55.178 56.048 -0.039 0.000 1.208 990 H CB 1.877 31.600 29.762 -0.065 0.000 1.727 990 H HN 0.771 nan 8.280 nan 0.000 0.534 991 M N 3.243 122.765 119.600 -0.130 0.000 2.226 991 M HA 0.326 4.813 4.480 0.012 0.000 0.324 991 M C 0.489 176.900 176.300 0.184 0.000 1.112 991 M CA 0.245 55.556 55.300 0.018 0.000 1.176 991 M CB 0.441 32.962 32.600 -0.131 0.000 1.430 991 M HN 0.831 nan 8.290 nan 0.000 0.462 992 G N 2.472 111.363 108.800 0.152 0.000 2.664 992 G HA2 0.266 4.233 3.960 0.012 0.000 0.242 992 G HA3 0.266 4.233 3.960 0.012 0.000 0.242 992 G C 0.594 175.494 174.900 -0.001 0.000 1.225 992 G CA -0.384 44.746 45.100 0.049 0.000 0.849 992 G HN 0.972 nan 8.290 nan 0.000 0.581 993 I N -1.148 119.380 120.570 -0.071 0.000 3.645 993 I HA 0.393 4.570 4.170 0.012 0.000 0.300 993 I C 1.249 177.317 176.117 -0.082 0.000 1.260 993 I CA 0.435 61.659 61.300 -0.126 0.000 1.365 993 I CB -0.598 37.230 38.000 -0.287 0.000 1.077 993 I HN 0.924 nan 8.210 nan 0.000 0.439 994 G N 1.677 110.447 108.800 -0.050 0.000 2.601 994 G HA2 0.016 3.983 3.960 0.012 0.000 0.252 994 G HA3 0.016 3.983 3.960 0.012 0.000 0.252 994 G C 0.601 175.506 174.900 0.009 0.000 1.294 994 G CA 0.154 45.258 45.100 0.007 0.000 0.912 994 G HN 1.430 nan 8.290 nan 0.000 0.574 995 G N -2.275 106.541 108.800 0.025 0.000 2.273 995 G HA2 -0.014 3.953 3.960 0.012 0.000 0.162 995 G HA3 -0.014 3.953 3.960 0.012 0.000 0.162 995 G C 0.638 175.592 174.900 0.090 0.000 1.006 995 G CA 0.920 46.040 45.100 0.034 0.000 0.704 995 G HN 1.005 nan 8.290 nan 0.000 0.487 996 D N 1.148 121.618 120.400 0.117 0.000 2.190 996 D HA 0.099 4.746 4.640 0.012 0.000 0.200 996 D C 1.055 177.390 176.300 0.058 0.000 0.992 996 D CA 2.094 56.230 54.000 0.228 0.000 0.854 996 D CB 0.150 41.085 40.800 0.225 0.000 0.936 996 D HN 0.831 nan 8.370 nan 0.000 0.462 997 D N -3.417 116.817 120.400 -0.276 0.000 2.615 997 D HA 0.332 4.980 4.640 0.012 0.000 0.267 997 D C -0.719 175.116 176.300 -0.774 0.000 1.236 997 D CA -0.723 52.698 54.000 -0.964 0.000 0.839 997 D CB 1.004 40.634 40.800 -1.951 0.000 1.380 997 D HN -0.314 nan 8.370 nan 0.000 0.433 998 S N -0.483 114.620 115.700 -0.996 0.000 2.664 998 S HA 0.241 4.718 4.470 0.012 0.000 0.245 998 S C -0.678 173.944 174.600 0.037 0.000 1.019 998 S CA -0.673 57.406 58.200 -0.201 0.000 0.996 998 S CB -0.458 62.867 63.200 0.207 0.000 0.878 998 S HN 0.606 nan 8.310 nan 0.000 0.493 999 W N 1.138 122.354 121.300 -0.140 0.000 1.948 999 W HA 0.584 5.251 4.660 0.011 0.000 0.300 999 W C -0.081 176.365 176.519 -0.121 0.000 0.890 999 W CA -0.658 56.599 57.345 -0.147 0.000 1.799 999 W CB -0.639 28.680 29.460 -0.235 0.000 1.073 999 W HN 0.146 nan 8.180 nan 0.000 0.499 1000 S N -1.515 114.063 115.700 -0.203 0.000 2.611 1000 S HA 0.652 5.129 4.470 0.012 0.000 0.268 1000 S C -3.220 171.300 174.600 -0.132 0.000 1.156 1000 S CA -1.580 56.538 58.200 -0.136 0.000 0.817 1000 S CB 1.653 64.782 63.200 -0.118 0.000 1.122 1000 S HN -0.219 nan 8.310 nan 0.000 0.466 1001 P HA 0.267 nan 4.420 nan 0.000 0.267 1001 P C 0.297 177.617 177.300 0.033 0.000 1.209 1001 P CA -0.095 62.972 63.100 -0.056 0.000 0.763 1001 P CB 0.845 32.415 31.700 -0.216 0.000 0.816 1002 S N 0.793 116.565 115.700 0.119 0.000 2.780 1002 S HA 0.139 4.616 4.470 0.012 0.000 0.248 1002 S C 0.201 174.889 174.600 0.147 0.000 1.036 1002 S CA -0.282 57.967 58.200 0.081 0.000 1.061 1002 S CB -0.260 62.930 63.200 -0.016 0.000 1.037 1002 S HN 0.102 nan 8.310 nan 0.000 0.584 1003 V N 2.882 122.938 119.914 0.238 0.000 2.455 1003 V HA 0.378 4.505 4.120 0.012 0.000 0.273 1003 V C 0.827 177.076 176.094 0.258 0.000 1.045 1003 V CA -0.269 62.154 62.300 0.205 0.000 0.976 1003 V CB 0.994 32.879 31.823 0.103 0.000 0.993 1003 V HN 0.520 nan 8.190 nan 0.000 0.475 1004 S N 3.979 119.839 115.700 0.268 0.000 2.568 1004 S HA 0.282 4.759 4.470 0.012 0.000 0.282 1004 S C 1.535 176.281 174.600 0.244 0.000 1.338 1004 S CA 0.074 58.428 58.200 0.257 0.000 1.045 1004 S CB 1.116 64.500 63.200 0.307 0.000 0.873 1004 S HN 0.990 nan 8.310 nan 0.000 0.516 1005 A N 3.531 126.451 122.820 0.168 0.000 1.948 1005 A HA -0.154 4.174 4.320 0.012 0.000 0.220 1005 A C 2.013 179.635 177.584 0.063 0.000 1.177 1005 A CA 1.873 53.995 52.037 0.142 0.000 0.636 1005 A CB -0.693 18.367 19.000 0.100 0.000 0.815 1005 A HN 0.964 nan 8.150 nan 0.000 0.449 1006 E N -0.761 119.412 120.200 -0.045 0.000 2.409 1006 E HA -0.135 4.223 4.350 0.012 0.000 0.198 1006 E C 0.785 177.150 176.600 -0.392 0.000 1.024 1006 E CA 0.820 57.070 56.400 -0.249 0.000 0.861 1006 E CB -0.447 29.042 29.700 -0.352 0.000 0.788 1006 E HN 0.694 nan 8.360 nan 0.000 0.521 1007 F N 1.007 121.005 119.950 0.080 0.000 2.653 1007 F HA 0.273 4.807 4.527 0.011 0.000 0.304 1007 F C 0.864 176.691 175.800 0.045 0.000 1.092 1007 F CA -0.518 57.528 58.000 0.076 0.000 1.279 1007 F CB 0.516 39.564 39.000 0.081 0.000 1.044 1007 F HN -0.184 nan 8.300 nan 0.000 0.564 1008 Q N 1.177 121.072 119.800 0.158 0.000 2.230 1008 Q HA 0.405 4.752 4.340 0.012 0.000 0.248 1008 Q C -0.201 175.811 176.000 0.021 0.000 0.915 1008 Q CA -0.516 55.340 55.803 0.088 0.000 0.900 1008 Q CB 1.872 30.740 28.738 0.218 0.000 1.229 1008 Q HN 0.246 nan 8.270 nan 0.000 0.439 1009 L N 2.485 123.708 121.223 0.001 0.000 2.399 1009 L HA 0.104 4.451 4.340 0.012 0.000 0.257 1009 L C 0.397 177.239 176.870 -0.046 0.000 1.236 1009 L CA -0.045 54.804 54.840 0.016 0.000 1.144 1009 L CB -0.388 41.582 42.059 -0.149 0.000 1.379 1009 L HN 0.694 nan 8.230 nan 0.000 0.414 1010 S N -1.293 114.277 115.700 -0.217 0.000 2.602 1010 S HA 0.181 4.658 4.470 0.012 0.000 0.240 1010 S C 1.534 176.052 174.600 -0.136 0.000 0.992 1010 S CA 0.110 58.010 58.200 -0.500 0.000 0.971 1010 S CB 0.822 63.527 63.200 -0.825 0.000 0.855 1010 S HN 0.513 nan 8.310 nan 0.000 0.481 1011 A N 1.421 124.186 122.820 -0.092 0.000 2.172 1011 A HA 0.465 4.792 4.320 0.012 0.000 0.216 1011 A C 2.092 179.515 177.584 -0.268 0.000 1.154 1011 A CA 1.077 52.927 52.037 -0.312 0.000 0.701 1011 A CB -1.200 17.404 19.000 -0.660 0.000 0.789 1011 A HN 1.436 nan 8.150 nan 0.000 0.465 1012 G N -1.244 107.503 108.800 -0.089 0.000 2.498 1012 G HA2 -0.306 3.661 3.960 0.012 0.000 0.229 1012 G HA3 -0.306 3.661 3.960 0.012 0.000 0.229 1012 G C 0.471 175.359 174.900 -0.021 0.000 1.156 1012 G CA 0.509 45.612 45.100 0.005 0.000 0.680 1012 G HN 0.686 nan 8.290 nan 0.000 0.512 1013 R N -0.536 119.824 120.500 -0.233 0.000 2.561 1013 R HA 0.693 5.040 4.340 0.012 0.000 0.297 1013 R C -1.526 174.524 176.300 -0.417 0.000 0.969 1013 R CA -0.604 55.406 56.100 -0.150 0.000 0.879 1013 R CB 1.518 31.772 30.300 -0.077 0.000 1.178 1013 R HN 0.251 nan 8.270 nan 0.000 0.445 1014 Y N 0.349 120.642 120.300 -0.012 0.000 2.477 1014 Y HA 0.334 4.891 4.550 0.012 0.000 0.347 1014 Y C -0.479 175.552 175.900 0.218 0.000 0.981 1014 Y CA -0.830 57.226 58.100 -0.073 0.000 1.033 1014 Y CB 2.163 40.441 38.460 -0.303 0.000 1.245 1014 Y HN 0.586 nan 8.280 nan 0.000 0.455 1015 H N 3.039 122.360 119.070 0.418 0.000 2.667 1015 H HA 0.612 5.175 4.556 0.012 0.000 0.353 1015 H C -1.697 174.012 175.328 0.635 0.000 1.072 1015 H CA -0.870 55.419 56.048 0.401 0.000 1.214 1015 H CB 1.104 31.000 29.762 0.224 0.000 1.600 1015 H HN 0.590 nan 8.280 nan 0.000 0.527 1016 Y N 1.873 121.977 120.300 -0.325 0.000 2.625 1016 Y HA 0.492 5.049 4.550 0.012 0.000 0.338 1016 Y C -1.681 174.037 175.900 -0.303 0.000 1.123 1016 Y CA -1.176 56.824 58.100 -0.166 0.000 1.046 1016 Y CB 1.450 39.916 38.460 0.011 0.000 1.299 1016 Y HN 0.797 nan 8.280 nan 0.000 0.464 1017 Q N 1.911 121.715 119.800 0.008 0.000 2.377 1017 Q HA 0.805 5.152 4.340 0.012 0.000 0.279 1017 Q C -2.545 173.541 176.000 0.143 0.000 1.049 1017 Q CA -0.852 54.938 55.803 -0.021 0.000 0.825 1017 Q CB 2.984 31.748 28.738 0.043 0.000 1.401 1017 Q HN 0.881 nan 8.270 nan 0.000 0.404 1018 L N 1.143 122.438 121.223 0.121 0.000 2.409 1018 L HA 0.800 5.147 4.340 0.012 0.000 0.255 1018 L C -1.267 175.723 176.870 0.200 0.000 1.027 1018 L CA -1.095 53.859 54.840 0.191 0.000 0.834 1018 L CB 2.860 45.013 42.059 0.158 0.000 1.426 1018 L HN 0.585 nan 8.230 nan 0.000 0.411 1019 V N 0.446 120.504 119.914 0.239 0.000 2.483 1019 V HA 0.402 4.529 4.120 0.012 0.000 0.297 1019 V C -1.475 174.794 176.094 0.292 0.000 1.027 1019 V CA -0.419 62.029 62.300 0.248 0.000 0.855 1019 V CB 2.119 34.057 31.823 0.193 0.000 0.995 1019 V HN 0.608 nan 8.190 nan 0.000 0.424 1020 W N 6.883 128.261 121.300 0.129 0.000 2.376 1020 W HA 0.707 5.374 4.660 0.012 0.000 0.312 1020 W C -0.176 176.355 176.519 0.020 0.000 1.060 1020 W CA -0.996 56.354 57.345 0.008 0.000 1.221 1020 W CB 1.445 30.988 29.460 0.138 0.000 1.281 1020 W HN 0.878 nan 8.180 nan 0.000 0.456 1021 C N 4.071 123.584 119.300 0.355 0.000 3.336 1021 C HA 0.678 5.146 4.460 0.012 0.000 0.352 1021 C C -0.451 174.626 174.990 0.146 0.000 1.567 1021 C CA -0.746 58.417 59.018 0.242 0.000 1.328 1021 C CB 1.850 29.678 27.740 0.147 0.000 1.922 1021 C HN 0.686 nan 8.230 nan 0.000 0.439 1022 Q N 1.012 120.854 119.800 0.069 0.000 2.306 1022 Q HA 0.814 5.161 4.340 0.012 0.000 0.269 1022 Q C -1.219 174.760 176.000 -0.035 0.000 1.053 1022 Q CA -0.196 55.596 55.803 -0.017 0.000 0.879 1022 Q CB 2.192 30.900 28.738 -0.049 0.000 1.344 1022 Q HN 1.002 nan 8.270 nan 0.000 0.464 1023 K N 0.000 120.356 120.400 -0.074 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 1023 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543