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 1hn1_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 IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.132 176.300 -0.281 0.000 0.893 13 R CA 0.000 55.996 56.100 -0.174 0.000 0.921 13 R CB 0.000 30.184 30.300 -0.194 0.000 0.687 14 R N 0.929 121.159 120.500 -0.449 0.000 2.583 14 R HA 0.148 4.494 4.340 0.010 0.000 0.282 14 R C -0.142 175.603 176.300 -0.924 0.000 1.288 14 R CA -0.153 55.366 56.100 -0.968 0.000 1.415 14 R CB 0.481 30.325 30.300 -0.760 0.000 1.331 14 R HN 0.571 nan 8.270 nan 0.000 0.719 15 D N 0.736 120.766 120.400 -0.616 0.000 2.191 15 D HA -0.241 4.404 4.640 0.010 0.000 0.195 15 D C 1.228 177.411 176.300 -0.195 0.000 1.003 15 D CA 1.684 55.430 54.000 -0.424 0.000 0.867 15 D CB 0.065 40.435 40.800 -0.717 0.000 0.926 15 D HN 0.581 nan 8.370 nan 0.000 0.450 16 W N 1.563 122.894 121.300 0.051 0.000 3.391 16 W HA 0.190 4.855 4.660 0.009 0.000 0.275 16 W C 0.287 176.923 176.519 0.194 0.000 1.318 16 W CA -0.256 57.233 57.345 0.240 0.000 1.665 16 W CB -0.175 29.457 29.460 0.287 0.000 1.078 16 W HN -0.196 nan 8.180 nan 0.000 0.732 17 E N 1.420 121.422 120.200 -0.329 0.000 3.729 17 E HA 0.039 4.395 4.350 0.010 0.000 0.195 17 E C -0.903 175.593 176.600 -0.174 0.000 1.005 17 E CA -0.201 56.098 56.400 -0.167 0.000 1.356 17 E CB -0.220 29.363 29.700 -0.195 0.000 1.138 17 E HN 0.156 nan 8.360 nan 0.000 0.450 18 N N 0.993 119.610 118.700 -0.139 0.000 2.875 18 N HA 0.103 4.849 4.740 0.010 0.000 0.253 18 N C -2.344 173.026 175.510 -0.233 0.000 1.296 18 N CA -1.476 51.453 53.050 -0.203 0.000 0.816 18 N CB 1.346 39.718 38.487 -0.193 0.000 1.504 18 N HN -0.215 nan 8.380 nan 0.000 0.582 19 P HA -0.076 nan 4.420 nan 0.000 0.219 19 P C 0.940 177.964 177.300 -0.461 0.000 1.145 19 P CA 1.254 63.937 63.100 -0.695 0.000 0.813 19 P CB 0.049 30.734 31.700 -1.690 0.000 0.771 20 G N -1.164 107.431 108.800 -0.342 0.000 3.440 20 G HA2 0.306 4.272 3.960 0.010 0.000 0.263 20 G HA3 0.306 4.272 3.960 0.010 0.000 0.263 20 G C -0.314 174.510 174.900 -0.127 0.000 1.236 20 G CA 0.014 44.976 45.100 -0.230 0.000 0.927 20 G HN 0.202 nan 8.290 nan 0.000 0.530 21 V N 0.723 120.589 119.914 -0.080 0.000 2.707 21 V HA 0.184 4.310 4.120 0.010 0.000 0.271 21 V C 0.655 176.824 176.094 0.125 0.000 1.013 21 V CA -0.016 62.294 62.300 0.017 0.000 0.908 21 V CB 1.316 33.140 31.823 0.002 0.000 1.051 21 V HN 0.330 nan 8.190 nan 0.000 0.476 22 T N 0.469 115.074 114.554 0.085 0.000 3.023 22 T HA 0.386 4.742 4.350 0.010 0.000 0.253 22 T C 0.211 174.926 174.700 0.025 0.000 1.038 22 T CA 0.585 62.717 62.100 0.053 0.000 0.962 22 T CB 0.355 69.215 68.868 -0.013 0.000 1.018 22 T HN 0.775 nan 8.240 nan 0.000 0.521 23 Q N 0.109 119.993 119.800 0.139 0.000 2.666 23 Q HA 0.615 4.961 4.340 0.010 0.000 0.276 23 Q C -2.308 173.845 176.000 0.254 0.000 0.952 23 Q CA -0.967 54.915 55.803 0.132 0.000 0.850 23 Q CB 0.682 29.416 28.738 -0.006 0.000 1.512 23 Q HN 0.234 nan 8.270 nan 0.000 0.395 24 L N 2.697 124.119 121.223 0.332 0.000 2.381 24 L HA 0.572 4.918 4.340 0.010 0.000 0.274 24 L C -0.410 176.636 176.870 0.293 0.000 0.988 24 L CA -0.917 54.141 54.840 0.363 0.000 0.824 24 L CB 1.923 44.352 42.059 0.617 0.000 1.263 24 L HN 0.980 nan 8.230 nan 0.000 0.410 25 N N 2.173 121.002 118.700 0.215 0.000 2.700 25 N HA -0.278 4.468 4.740 0.010 0.000 0.265 25 N C -0.286 175.320 175.510 0.160 0.000 0.975 25 N CA 0.461 53.610 53.050 0.164 0.000 0.800 25 N CB -0.701 37.879 38.487 0.154 0.000 0.908 25 N HN 0.676 nan 8.380 nan 0.000 0.551 26 R N 0.748 121.236 120.500 -0.020 0.000 2.474 26 R HA 0.471 4.817 4.340 0.010 0.000 0.295 26 R C 0.678 176.832 176.300 -0.245 0.000 0.980 26 R CA -0.751 55.113 56.100 -0.393 0.000 0.934 26 R CB 0.870 30.906 30.300 -0.441 0.000 1.101 26 R HN 0.228 nan 8.270 nan 0.000 0.469 27 L N 2.529 123.581 121.223 -0.285 0.000 2.476 27 L HA 0.243 4.589 4.340 0.010 0.000 0.264 27 L C 0.621 177.442 176.870 -0.083 0.000 1.224 27 L CA -0.394 54.378 54.840 -0.115 0.000 0.821 27 L CB 0.456 42.483 42.059 -0.054 0.000 1.101 27 L HN 0.771 nan 8.230 nan 0.000 0.488 28 A N 1.184 124.004 122.820 0.001 0.000 2.440 28 A HA 0.509 4.835 4.320 0.010 0.000 0.251 28 A C 0.419 178.052 177.584 0.081 0.000 1.089 28 A CA -0.139 51.916 52.037 0.029 0.000 0.779 28 A CB 0.386 19.419 19.000 0.054 0.000 1.022 28 A HN 0.821 nan 8.150 nan 0.000 0.492 29 A N 1.932 124.747 122.820 -0.008 0.000 2.475 29 A HA 0.572 4.898 4.320 0.010 0.000 0.239 29 A C 0.278 177.857 177.584 -0.008 0.000 1.087 29 A CA 1.029 53.013 52.037 -0.089 0.000 0.779 29 A CB -0.224 18.705 19.000 -0.118 0.000 1.036 29 A HN 2.225 nan 8.150 nan 0.000 0.506 30 H N -2.722 116.244 119.070 -0.173 0.000 2.901 30 H HA 0.536 5.097 4.556 0.009 0.000 0.267 30 H C -3.448 171.648 175.328 -0.386 0.000 1.434 30 H CA -1.297 54.599 56.048 -0.254 0.000 1.215 30 H CB 0.035 29.618 29.762 -0.298 0.000 1.825 30 H HN 0.432 nan 8.280 nan 0.000 0.470 31 P HA 0.241 nan 4.420 nan 0.000 0.274 31 P C -2.633 174.409 177.300 -0.430 0.000 1.256 31 P CA -1.632 61.269 63.100 -0.332 0.000 0.795 31 P CB -0.357 31.165 31.700 -0.295 0.000 1.038 32 P HA 0.180 nan 4.420 nan 0.000 0.271 32 P C -0.700 176.768 177.300 0.281 0.000 1.226 32 P CA 0.737 63.814 63.100 -0.038 0.000 0.765 32 P CB 0.027 31.763 31.700 0.061 0.000 0.835 33 F N 1.288 121.382 119.950 0.239 0.000 2.523 33 F HA 0.616 5.149 4.527 0.009 0.000 0.329 33 F C 1.010 176.830 175.800 0.032 0.000 1.061 33 F CA -1.043 57.062 58.000 0.175 0.000 0.967 33 F CB 2.122 41.203 39.000 0.136 0.000 1.218 33 F HN 0.233 nan 8.300 nan 0.000 0.480 34 A N 0.490 123.402 122.820 0.153 0.000 2.736 34 A HA 0.228 4.554 4.320 0.010 0.000 0.222 34 A C 0.522 177.973 177.584 -0.221 0.000 1.267 34 A CA 0.074 51.986 52.037 -0.208 0.000 1.026 34 A CB -0.218 18.329 19.000 -0.755 0.000 1.281 34 A HN 0.671 nan 8.150 nan 0.000 0.577 35 S N 0.869 116.541 115.700 -0.046 0.000 3.348 35 S HA -0.166 4.310 4.470 0.010 0.000 0.366 35 S C 0.181 174.813 174.600 0.053 0.000 0.953 35 S CA 0.491 58.672 58.200 -0.032 0.000 1.255 35 S CB -1.413 61.723 63.200 -0.108 0.000 0.906 35 S HN 0.505 nan 8.310 nan 0.000 0.495 36 W N 1.448 122.737 121.300 -0.018 0.000 2.193 36 W HA 0.107 4.772 4.660 0.009 0.000 0.338 36 W C 1.340 177.850 176.519 -0.016 0.000 1.310 36 W CA -0.449 56.894 57.345 -0.003 0.000 1.243 36 W CB 0.223 29.680 29.460 -0.005 0.000 1.165 36 W HN 0.315 nan 8.180 nan 0.000 0.566 37 R N 2.174 122.820 120.500 0.244 0.000 2.507 37 R HA 0.071 4.417 4.340 0.010 0.000 0.298 37 R C -0.043 176.326 176.300 0.114 0.000 0.999 37 R CA -0.040 56.142 56.100 0.137 0.000 1.082 37 R CB -0.138 30.214 30.300 0.088 0.000 1.246 37 R HN 0.372 nan 8.270 nan 0.000 0.553 38 N N 0.754 119.541 118.700 0.144 0.000 2.581 38 N HA 0.003 4.748 4.740 0.010 0.000 0.279 38 N C 0.393 175.879 175.510 -0.041 0.000 1.124 38 N CA 0.143 53.229 53.050 0.059 0.000 0.833 38 N CB 1.444 39.967 38.487 0.060 0.000 1.338 38 N HN -0.087 nan 8.380 nan 0.000 0.533 39 S N 2.633 118.287 115.700 -0.076 0.000 2.389 39 S HA -0.288 4.188 4.470 0.010 0.000 0.231 39 S C 1.508 175.956 174.600 -0.253 0.000 1.052 39 S CA 1.499 59.599 58.200 -0.166 0.000 1.053 39 S CB -0.262 62.872 63.200 -0.110 0.000 0.886 39 S HN 0.737 nan 8.310 nan 0.000 0.456 40 E N 1.465 121.555 120.200 -0.183 0.000 2.049 40 E HA -0.209 4.147 4.350 0.010 0.000 0.198 40 E C 2.150 178.591 176.600 -0.265 0.000 1.007 40 E CA 1.652 57.916 56.400 -0.226 0.000 0.809 40 E CB -0.300 29.300 29.700 -0.168 0.000 0.749 40 E HN 0.685 nan 8.360 nan 0.000 0.450 41 E N -0.511 119.581 120.200 -0.180 0.000 2.130 41 E HA -0.296 4.060 4.350 0.010 0.000 0.196 41 E C 1.962 178.243 176.600 -0.533 0.000 0.998 41 E CA 0.921 57.256 56.400 -0.109 0.000 0.806 41 E CB -0.207 29.635 29.700 0.236 0.000 0.738 41 E HN 0.398 nan 8.360 nan 0.000 0.459 42 A N 1.321 123.514 122.820 -1.045 0.000 1.858 42 A HA -0.231 4.095 4.320 0.010 0.000 0.216 42 A C 2.099 179.142 177.584 -0.901 0.000 1.190 42 A CA 1.677 52.717 52.037 -1.662 0.000 0.617 42 A CB -0.549 17.771 19.000 -1.133 0.000 0.827 42 A HN 0.116 nan 8.150 nan 0.000 0.443 43 R N -0.482 119.655 120.500 -0.605 0.000 2.105 43 R HA -0.139 4.207 4.340 0.010 0.000 0.239 43 R C 1.962 178.065 176.300 -0.327 0.000 1.135 43 R CA 2.061 57.872 56.100 -0.482 0.000 0.967 43 R CB -0.406 29.473 30.300 -0.701 0.000 0.861 43 R HN 0.681 nan 8.270 nan 0.000 0.442 44 T N -2.441 111.936 114.554 -0.295 0.000 3.081 44 T HA 0.013 4.369 4.350 0.010 0.000 0.255 44 T C 0.377 175.057 174.700 -0.033 0.000 1.113 44 T CA 0.433 62.449 62.100 -0.140 0.000 1.082 44 T CB 0.091 68.898 68.868 -0.101 0.000 0.939 44 T HN 0.278 nan 8.240 nan 0.000 0.506 45 D N 1.149 121.524 120.400 -0.042 0.000 2.800 45 D HA -0.153 4.493 4.640 0.010 0.000 0.232 45 D C -0.046 176.459 176.300 0.343 0.000 1.137 45 D CA 0.339 54.480 54.000 0.234 0.000 0.718 45 D CB -1.242 39.658 40.800 0.166 0.000 1.084 45 D HN 0.565 nan 8.370 nan 0.000 0.432 46 R N 0.151 120.881 120.500 0.383 0.000 2.637 46 R HA 0.489 4.835 4.340 0.010 0.000 0.269 46 R C -2.028 174.483 176.300 0.351 0.000 1.089 46 R CA -1.270 55.017 56.100 0.311 0.000 1.177 46 R CB 0.266 30.700 30.300 0.223 0.000 1.091 46 R HN 0.084 nan 8.270 nan 0.000 0.540 47 P HA -0.004 nan 4.420 nan 0.000 0.271 47 P C -0.836 176.438 177.300 -0.043 0.000 1.218 47 P CA -0.006 63.118 63.100 0.040 0.000 0.780 47 P CB 0.982 32.704 31.700 0.038 0.000 0.901 48 S N 1.577 117.133 115.700 -0.240 0.000 2.451 48 S HA 0.135 4.611 4.470 0.010 0.000 0.301 48 S C 1.070 175.605 174.600 -0.109 0.000 1.116 48 S CA -0.483 57.526 58.200 -0.318 0.000 1.093 48 S CB 0.589 63.284 63.200 -0.841 0.000 1.017 48 S HN 0.194 nan 8.310 nan 0.000 0.482 49 Q N 2.827 122.620 119.800 -0.011 0.000 2.181 49 Q HA -0.112 4.233 4.340 0.010 0.000 0.205 49 Q C 1.489 177.608 176.000 0.198 0.000 0.980 49 Q CA 1.781 57.638 55.803 0.089 0.000 0.862 49 Q CB -0.311 28.492 28.738 0.108 0.000 0.905 49 Q HN 0.774 nan 8.270 nan 0.000 0.429 50 Q N -0.710 119.158 119.800 0.113 0.000 2.488 50 Q HA 0.012 4.358 4.340 0.010 0.000 0.211 50 Q C -0.308 175.783 176.000 0.153 0.000 0.967 50 Q CA 0.247 56.122 55.803 0.121 0.000 0.926 50 Q CB 0.208 28.918 28.738 -0.046 0.000 0.992 50 Q HN 0.023 nan 8.270 nan 0.000 0.506 51 L N 0.845 122.128 121.223 0.101 0.000 2.324 51 L HA 0.381 4.727 4.340 0.010 0.000 0.274 51 L C -0.982 175.956 176.870 0.113 0.000 1.012 51 L CA -0.299 54.588 54.840 0.078 0.000 0.859 51 L CB 0.878 42.902 42.059 -0.058 0.000 1.224 51 L HN -0.105 nan 8.230 nan 0.000 0.429 52 R N 1.983 122.598 120.500 0.192 0.000 2.532 52 R HA 0.553 4.898 4.340 0.010 0.000 0.295 52 R C -0.470 175.852 176.300 0.037 0.000 0.968 52 R CA -0.376 55.783 56.100 0.098 0.000 0.916 52 R CB 1.665 31.994 30.300 0.048 0.000 1.124 52 R HN 0.621 nan 8.270 nan 0.000 0.463 53 S N 2.786 118.489 115.700 0.006 0.000 2.562 53 S HA 0.320 4.795 4.470 0.010 0.000 0.275 53 S C 0.483 175.073 174.600 -0.018 0.000 1.281 53 S CA -0.547 57.651 58.200 -0.004 0.000 1.045 53 S CB 0.610 63.818 63.200 0.012 0.000 0.962 53 S HN 0.579 nan 8.310 nan 0.000 0.503 54 L N 3.465 124.687 121.223 -0.002 0.000 3.066 54 L HA 0.323 4.669 4.340 0.010 0.000 0.265 54 L C -0.229 176.820 176.870 0.298 0.000 1.232 54 L CA -0.315 54.550 54.840 0.043 0.000 1.031 54 L CB -0.116 41.919 42.059 -0.040 0.000 1.379 54 L HN 0.471 nan 8.230 nan 0.000 0.563 55 N N 1.216 120.019 118.700 0.171 0.000 2.530 55 N HA 0.573 5.319 4.740 0.010 0.000 0.273 55 N C 0.603 176.251 175.510 0.232 0.000 1.173 55 N CA 0.854 54.012 53.050 0.180 0.000 0.967 55 N CB 1.512 40.033 38.487 0.057 0.000 1.109 55 N HN 0.324 nan 8.380 nan 0.000 0.453 56 G N 0.652 109.620 108.800 0.280 0.000 2.288 56 G HA2 -0.089 3.877 3.960 0.010 0.000 0.227 56 G HA3 -0.089 3.877 3.960 0.010 0.000 0.227 56 G C -1.346 173.796 174.900 0.404 0.000 1.339 56 G CA -0.852 44.403 45.100 0.259 0.000 1.057 56 G HN 0.484 nan 8.290 nan 0.000 0.470 57 E N -0.004 120.377 120.200 0.301 0.000 2.299 57 E HA 0.456 4.811 4.350 0.010 0.000 0.272 57 E C -1.041 175.796 176.600 0.394 0.000 1.043 57 E CA 0.234 56.809 56.400 0.292 0.000 0.895 57 E CB 0.518 30.312 29.700 0.156 0.000 1.011 57 E HN 0.381 nan 8.360 nan 0.000 0.432 58 W N 2.117 123.506 121.300 0.148 0.000 2.975 58 W HA 0.390 5.055 4.660 0.010 0.000 0.342 58 W C -0.351 176.300 176.519 0.219 0.000 1.168 58 W CA -0.779 56.688 57.345 0.203 0.000 1.141 58 W CB 1.096 30.726 29.460 0.283 0.000 1.445 58 W HN 0.209 nan 8.180 nan 0.000 0.560 59 R N 2.362 123.146 120.500 0.473 0.000 2.229 59 R HA 0.459 4.804 4.340 0.010 0.000 0.328 59 R C -1.282 175.250 176.300 0.386 0.000 1.009 59 R CA -0.602 55.709 56.100 0.351 0.000 0.864 59 R CB 0.920 31.363 30.300 0.240 0.000 1.085 59 R HN 0.413 nan 8.270 nan 0.000 0.453 60 F N 1.464 121.461 119.950 0.078 0.000 2.546 60 F HA 0.652 5.184 4.527 0.010 0.000 0.320 60 F C -1.239 174.447 175.800 -0.191 0.000 1.076 60 F CA -0.819 57.080 58.000 -0.168 0.000 0.928 60 F CB 2.006 40.802 39.000 -0.341 0.000 1.189 60 F HN 0.601 nan 8.300 nan 0.000 0.465 61 A N 5.164 127.057 122.820 -1.545 0.000 2.466 61 A HA 0.370 4.695 4.320 0.010 0.000 0.284 61 A C -2.163 174.593 177.584 -1.380 0.000 1.049 61 A CA -0.436 50.930 52.037 -1.118 0.000 0.760 61 A CB -0.064 18.677 19.000 -0.430 0.000 1.274 61 A HN 0.969 nan 8.150 nan 0.000 0.412 62 W N 3.236 123.640 121.300 -1.494 0.000 2.316 62 W HA 0.717 5.383 4.660 0.010 0.000 0.321 62 W C -1.573 174.375 176.519 -0.952 0.000 1.203 62 W CA 0.014 56.713 57.345 -1.076 0.000 1.214 62 W CB 0.751 29.817 29.460 -0.657 0.000 1.169 62 W HN 0.481 nan 8.180 nan 0.000 0.561 63 F N 6.637 125.929 119.950 -1.098 0.000 2.574 63 F HA 0.272 4.805 4.527 0.009 0.000 0.313 63 F C -1.287 173.669 175.800 -1.407 0.000 1.130 63 F CA -2.401 55.081 58.000 -0.863 0.000 0.936 63 F CB 1.487 40.136 39.000 -0.584 0.000 1.219 63 F HN 0.209 nan 8.300 nan 0.000 0.445 64 P HA -0.131 nan 4.420 nan 0.000 0.217 64 P C 0.034 177.228 177.300 -0.177 0.000 1.151 64 P CA 1.764 64.729 63.100 -0.226 0.000 0.849 64 P CB 0.504 32.298 31.700 0.156 0.000 0.787 65 A N -2.288 120.436 122.820 -0.160 0.000 2.588 65 A HA 0.581 4.907 4.320 0.010 0.000 0.290 65 A C -2.396 175.077 177.584 -0.185 0.000 1.136 65 A CA -1.038 50.932 52.037 -0.111 0.000 0.681 65 A CB 0.582 19.580 19.000 -0.004 0.000 1.282 65 A HN -0.216 nan 8.150 nan 0.000 0.421 66 P HA 0.061 nan 4.420 nan 0.000 0.226 66 P C 0.448 177.644 177.300 -0.173 0.000 1.161 66 P CA 1.036 63.990 63.100 -0.244 0.000 0.804 66 P CB 0.181 31.726 31.700 -0.259 0.000 0.829 67 E N 0.466 120.622 120.200 -0.073 0.000 2.472 67 E HA 0.019 4.375 4.350 0.010 0.000 0.200 67 E C 1.722 178.274 176.600 -0.080 0.000 1.046 67 E CA 0.803 57.181 56.400 -0.036 0.000 0.871 67 E CB -0.709 29.010 29.700 0.032 0.000 0.806 67 E HN 0.202 nan 8.360 nan 0.000 0.533 68 A N 0.658 123.402 122.820 -0.126 0.000 2.337 68 A HA 0.172 4.498 4.320 0.010 0.000 0.227 68 A C 0.489 177.852 177.584 -0.369 0.000 1.259 68 A CA -0.197 51.779 52.037 -0.102 0.000 0.870 68 A CB 0.170 19.205 19.000 0.058 0.000 0.927 68 A HN 0.043 nan 8.150 nan 0.000 0.497 69 V N 1.409 121.025 119.914 -0.496 0.000 2.617 69 V HA 0.352 4.478 4.120 0.010 0.000 0.298 69 V C -2.423 173.436 176.094 -0.391 0.000 1.048 69 V CA -1.531 60.299 62.300 -0.783 0.000 0.964 69 V CB 1.335 32.581 31.823 -0.961 0.000 1.004 69 V HN 0.251 nan 8.190 nan 0.000 0.466 70 P HA 0.402 nan 4.420 nan 0.000 0.301 70 P C 0.518 177.793 177.300 -0.042 0.000 1.338 70 P CA -0.510 62.516 63.100 -0.123 0.000 0.834 70 P CB 1.585 33.257 31.700 -0.048 0.000 0.967 71 E N 1.693 121.866 120.200 -0.046 0.000 2.086 71 E HA -0.280 4.075 4.350 0.010 0.000 0.205 71 E C 1.814 178.390 176.600 -0.039 0.000 1.027 71 E CA 2.275 58.644 56.400 -0.051 0.000 0.830 71 E CB -0.136 29.540 29.700 -0.040 0.000 0.751 71 E HN 0.507 nan 8.360 nan 0.000 0.456 72 S N -0.051 115.644 115.700 -0.009 0.000 2.400 72 S HA -0.258 4.218 4.470 0.010 0.000 0.234 72 S C 1.712 176.320 174.600 0.014 0.000 1.049 72 S CA 1.578 59.779 58.200 0.000 0.000 1.039 72 S CB -0.701 62.514 63.200 0.025 0.000 0.856 72 S HN 0.611 nan 8.310 nan 0.000 0.465 73 W N 1.723 122.934 121.300 -0.149 0.000 2.350 73 W HA -0.004 4.662 4.660 0.009 0.000 0.289 73 W C 1.931 178.338 176.519 -0.188 0.000 1.215 73 W CA 1.127 58.376 57.345 -0.159 0.000 1.236 73 W CB -0.533 28.788 29.460 -0.231 0.000 1.130 73 W HN 0.316 nan 8.180 nan 0.000 0.541 74 L N 0.252 121.274 121.223 -0.334 0.000 2.141 74 L HA -0.157 4.189 4.340 0.010 0.000 0.209 74 L C 2.347 178.956 176.870 -0.436 0.000 1.094 74 L CA 1.555 56.027 54.840 -0.612 0.000 0.763 74 L CB -0.593 41.172 42.059 -0.491 0.000 0.908 74 L HN -0.060 nan 8.230 nan 0.000 0.437 75 E N -0.513 119.532 120.200 -0.258 0.000 2.057 75 E HA -0.006 4.350 4.350 0.010 0.000 0.190 75 E C 0.489 176.998 176.600 -0.153 0.000 0.969 75 E CA 0.678 56.979 56.400 -0.164 0.000 0.812 75 E CB 0.210 29.853 29.700 -0.094 0.000 0.777 75 E HN 0.494 nan 8.360 nan 0.000 0.455 76 C N 0.026 119.249 119.300 -0.129 0.000 3.086 76 C HA 0.486 4.952 4.460 0.010 0.000 0.311 76 C C -0.530 174.446 174.990 -0.023 0.000 1.260 76 C CA -1.664 57.306 59.018 -0.080 0.000 1.426 76 C CB 1.091 28.809 27.740 -0.037 0.000 1.826 76 C HN 0.033 nan 8.230 nan 0.000 0.474 77 D N 2.518 122.917 120.400 -0.002 0.000 2.570 77 D HA 0.270 4.916 4.640 0.010 0.000 0.243 77 D C 0.429 176.798 176.300 0.114 0.000 1.171 77 D CA 0.681 54.731 54.000 0.083 0.000 0.879 77 D CB 0.439 41.281 40.800 0.071 0.000 1.143 77 D HN 0.487 nan 8.370 nan 0.000 0.511 78 L N 5.268 126.607 121.223 0.194 0.000 2.479 78 L HA 0.149 4.495 4.340 0.010 0.000 0.270 78 L C -1.045 175.883 176.870 0.098 0.000 1.236 78 L CA -0.853 54.073 54.840 0.144 0.000 0.823 78 L CB -0.557 41.604 42.059 0.170 0.000 1.098 78 L HN 0.218 nan 8.230 nan 0.000 0.500 79 P HA -0.101 nan 4.420 nan 0.000 0.214 79 P C 1.060 178.386 177.300 0.042 0.000 1.162 79 P CA 0.958 64.088 63.100 0.049 0.000 0.871 79 P CB -0.070 31.652 31.700 0.036 0.000 0.783 80 E N 0.867 121.086 120.200 0.032 0.000 2.333 80 E HA -0.076 4.279 4.350 0.010 0.000 0.198 80 E C 0.716 177.319 176.600 0.006 0.000 1.007 80 E CA 0.422 56.827 56.400 0.010 0.000 0.845 80 E CB -1.213 28.479 29.700 -0.014 0.000 0.766 80 E HN 0.103 nan 8.360 nan 0.000 0.507 81 A N 1.827 124.660 122.820 0.022 0.000 2.498 81 A HA 0.031 4.357 4.320 0.010 0.000 0.239 81 A C 0.135 177.757 177.584 0.063 0.000 1.068 81 A CA -0.069 51.977 52.037 0.014 0.000 0.766 81 A CB 0.219 19.248 19.000 0.048 0.000 1.003 81 A HN 0.134 nan 8.150 nan 0.000 0.497 82 D N 0.240 120.697 120.400 0.095 0.000 2.478 82 D HA 0.418 5.064 4.640 0.010 0.000 0.269 82 D C -0.420 175.989 176.300 0.182 0.000 1.232 82 D CA 0.411 54.505 54.000 0.157 0.000 1.059 82 D CB 0.856 41.808 40.800 0.253 0.000 1.104 82 D HN 0.437 nan 8.370 nan 0.000 0.566 83 T N 0.526 115.183 114.554 0.171 0.000 2.906 83 T HA 0.428 4.784 4.350 0.010 0.000 0.302 83 T C -0.233 174.555 174.700 0.148 0.000 1.002 83 T CA -0.634 61.570 62.100 0.172 0.000 0.988 83 T CB 0.900 69.844 68.868 0.126 0.000 0.972 83 T HN 0.280 nan 8.240 nan 0.000 0.447 84 V N 1.463 121.494 119.914 0.196 0.000 3.113 84 V HA 0.868 4.993 4.120 0.010 0.000 0.316 84 V C -0.330 175.881 176.094 0.196 0.000 1.125 84 V CA -0.916 61.452 62.300 0.114 0.000 1.026 84 V CB 1.793 33.683 31.823 0.112 0.000 1.080 84 V HN 0.468 nan 8.190 nan 0.000 0.444 85 V N 2.072 122.065 119.914 0.132 0.000 2.546 85 V HA 0.524 4.649 4.120 0.010 0.000 0.284 85 V C -0.023 176.138 176.094 0.111 0.000 1.050 85 V CA -0.075 62.312 62.300 0.145 0.000 0.981 85 V CB 1.456 33.329 31.823 0.083 0.000 0.990 85 V HN 0.772 nan 8.190 nan 0.000 0.474 86 V N 7.144 127.057 119.914 -0.000 0.000 2.604 86 V HA 0.485 4.611 4.120 0.010 0.000 0.305 86 V C -2.320 173.677 176.094 -0.162 0.000 1.043 86 V CA -1.849 60.311 62.300 -0.234 0.000 0.888 86 V CB 2.165 33.488 31.823 -0.833 0.000 0.995 86 V HN 0.749 nan 8.190 nan 0.000 0.429 87 P HA 0.450 nan 4.420 nan 0.000 0.276 87 P C -0.702 176.531 177.300 -0.112 0.000 1.244 87 P CA -0.129 62.856 63.100 -0.192 0.000 0.801 87 P CB 1.459 33.060 31.700 -0.165 0.000 1.006 88 S N 0.271 115.914 115.700 -0.095 0.000 2.643 88 S HA 0.487 4.963 4.470 0.010 0.000 0.270 88 S C -1.313 173.181 174.600 -0.177 0.000 1.166 88 S CA -0.922 57.207 58.200 -0.118 0.000 0.815 88 S CB 0.727 63.927 63.200 0.000 0.000 1.139 88 S HN 0.371 nan 8.310 nan 0.000 0.472 89 N N 0.891 119.387 118.700 -0.340 0.000 2.407 89 N HA 0.417 5.163 4.740 0.010 0.000 0.277 89 N C 0.426 175.680 175.510 -0.427 0.000 0.995 89 N CA -0.825 51.999 53.050 -0.376 0.000 0.903 89 N CB 0.919 39.184 38.487 -0.371 0.000 1.218 89 N HN 0.840 nan 8.380 nan 0.000 0.487 90 W N 2.748 123.878 121.300 -0.282 0.000 2.342 90 W HA -0.153 4.513 4.660 0.010 0.000 0.297 90 W C 1.119 177.604 176.519 -0.057 0.000 1.213 90 W CA 1.045 58.240 57.345 -0.250 0.000 1.251 90 W CB -0.486 28.787 29.460 -0.311 0.000 1.136 90 W HN 0.517 nan 8.180 nan 0.000 0.526 91 Q N 0.193 119.988 119.800 -0.010 0.000 2.234 91 Q HA -0.176 4.170 4.340 0.010 0.000 0.206 91 Q C 2.193 178.152 176.000 -0.068 0.000 0.980 91 Q CA 2.068 57.876 55.803 0.008 0.000 0.869 91 Q CB -0.572 28.055 28.738 -0.185 0.000 0.912 91 Q HN 0.248 nan 8.270 nan 0.000 0.436 92 M N -1.001 118.499 119.600 -0.166 0.000 2.394 92 M HA -0.075 4.410 4.480 0.010 0.000 0.264 92 M C 0.903 177.251 176.300 0.079 0.000 1.073 92 M CA 1.558 56.771 55.300 -0.145 0.000 1.111 92 M CB -0.523 31.925 32.600 -0.253 0.000 1.401 92 M HN 0.393 nan 8.290 nan 0.000 0.448 93 H N -1.410 117.713 119.070 0.090 0.000 2.592 93 H HA 0.278 4.840 4.556 0.010 0.000 0.265 93 H C 1.220 176.548 175.328 -0.000 0.000 0.955 93 H CA 0.186 56.303 56.048 0.113 0.000 1.175 93 H CB 0.463 30.389 29.762 0.275 0.000 1.433 93 H HN 0.524 nan 8.280 nan 0.000 0.537 94 G N 0.462 109.340 108.800 0.130 0.000 2.132 94 G HA2 -0.343 3.623 3.960 0.010 0.000 0.234 94 G HA3 -0.343 3.623 3.960 0.010 0.000 0.234 94 G C 0.273 175.076 174.900 -0.161 0.000 0.989 94 G CA 0.273 45.357 45.100 -0.026 0.000 0.676 94 G HN 0.416 nan 8.290 nan 0.000 0.522 95 Y N 1.604 121.920 120.300 0.027 0.000 2.200 95 Y HA 0.186 4.742 4.550 0.010 0.000 0.290 95 Y C 1.809 177.460 175.900 -0.415 0.000 1.137 95 Y CA 1.875 59.817 58.100 -0.264 0.000 1.163 95 Y CB 0.075 38.392 38.460 -0.237 0.000 0.988 95 Y HN 0.649 nan 8.280 nan 0.000 0.518 96 D N -1.830 118.661 120.400 0.152 0.000 2.636 96 D HA 0.556 5.202 4.640 0.010 0.000 0.275 96 D C -1.071 175.318 176.300 0.148 0.000 1.130 96 D CA -0.962 53.127 54.000 0.149 0.000 1.031 96 D CB 0.953 41.974 40.800 0.368 0.000 1.451 96 D HN 0.015 nan 8.370 nan 0.000 0.505 97 A N -0.083 122.823 122.820 0.143 0.000 2.331 97 A HA 0.658 4.984 4.320 0.010 0.000 0.283 97 A C -2.386 175.233 177.584 0.060 0.000 1.142 97 A CA -1.201 50.901 52.037 0.109 0.000 0.812 97 A CB 0.020 19.141 19.000 0.203 0.000 1.074 97 A HN 0.516 nan 8.150 nan 0.000 0.497 98 P HA 0.454 nan 4.420 nan 0.000 0.284 98 P C -0.849 176.652 177.300 0.335 0.000 1.253 98 P CA -0.015 63.049 63.100 -0.059 0.000 0.800 98 P CB 0.709 32.102 31.700 -0.513 0.000 0.961 99 I N 2.904 123.728 120.570 0.424 0.000 2.377 99 I HA 0.281 4.456 4.170 0.010 0.000 0.293 99 I C -0.414 175.860 176.117 0.261 0.000 0.987 99 I CA -0.979 60.556 61.300 0.391 0.000 1.185 99 I CB 1.152 39.314 38.000 0.269 0.000 1.341 99 I HN 0.334 nan 8.210 nan 0.000 0.455 100 Y N 6.213 126.414 120.300 -0.165 0.000 2.587 100 Y HA 0.467 5.023 4.550 0.009 0.000 0.328 100 Y C -0.285 175.433 175.900 -0.303 0.000 0.980 100 Y CA -0.458 57.254 58.100 -0.647 0.000 1.272 100 Y CB 1.044 38.514 38.460 -1.650 0.000 1.094 100 Y HN 0.588 nan 8.280 nan 0.000 0.503 101 T N 4.284 118.314 114.554 -0.874 0.000 2.908 101 T HA 0.281 4.636 4.350 0.010 0.000 0.290 101 T C 0.172 174.401 174.700 -0.785 0.000 1.034 101 T CA -0.514 61.112 62.100 -0.790 0.000 1.010 101 T CB 1.322 69.975 68.868 -0.358 0.000 1.068 101 T HN 0.757 nan 8.240 nan 0.000 0.481 102 N N 2.223 120.522 118.700 -0.669 0.000 2.426 102 N HA 0.106 4.851 4.740 0.010 0.000 0.205 102 N C 1.474 176.720 175.510 -0.439 0.000 1.040 102 N CA 1.266 54.041 53.050 -0.459 0.000 0.990 102 N CB -0.528 37.697 38.487 -0.437 0.000 1.215 102 N HN 0.370 nan 8.380 nan 0.000 0.491 103 V N 0.432 120.026 119.914 -0.534 0.000 2.521 103 V HA 0.152 4.277 4.120 0.010 0.000 0.239 103 V C 0.227 176.001 176.094 -0.534 0.000 1.053 103 V CA 0.859 62.758 62.300 -0.669 0.000 1.073 103 V CB -0.531 30.783 31.823 -0.849 0.000 0.746 103 V HN 0.315 nan 8.190 nan 0.000 0.476 104 T N 1.373 115.686 114.554 -0.401 0.000 2.867 104 T HA 0.117 4.473 4.350 0.010 0.000 0.297 104 T C -0.431 174.124 174.700 -0.243 0.000 0.989 104 T CA 0.260 62.197 62.100 -0.271 0.000 1.159 104 T CB -0.331 68.422 68.868 -0.191 0.000 0.928 104 T HN 0.177 nan 8.240 nan 0.000 0.538 105 Y N 5.016 125.228 120.300 -0.148 0.000 2.610 105 Y HA 0.130 4.685 4.550 0.009 0.000 0.332 105 Y C -0.818 174.975 175.900 -0.180 0.000 1.201 105 Y CA -1.850 56.157 58.100 -0.154 0.000 1.465 105 Y CB 0.383 38.753 38.460 -0.151 0.000 1.283 105 Y HN 0.519 nan 8.280 nan 0.000 0.563 106 P HA -0.057 nan 4.420 nan 0.000 0.239 106 P C -0.195 176.951 177.300 -0.257 0.000 1.184 106 P CA 1.097 64.145 63.100 -0.086 0.000 0.760 106 P CB -0.090 31.626 31.700 0.027 0.000 0.884 107 I N -5.096 115.278 120.570 -0.327 0.000 3.042 107 I HA 0.480 4.655 4.170 0.010 0.000 0.310 107 I C -0.885 175.120 176.117 -0.187 0.000 1.117 107 I CA -1.147 59.904 61.300 -0.414 0.000 1.003 107 I CB 2.167 39.693 38.000 -0.789 0.000 1.228 107 I HN -0.485 nan 8.210 nan 0.000 0.443 108 T N 3.324 117.799 114.554 -0.130 0.000 2.817 108 T HA 0.142 4.497 4.350 0.010 0.000 0.295 108 T C 0.251 174.946 174.700 -0.008 0.000 0.958 108 T CA -0.148 61.929 62.100 -0.039 0.000 1.157 108 T CB 0.319 69.186 68.868 -0.002 0.000 0.898 108 T HN 0.374 nan 8.240 nan 0.000 0.536 109 V N 5.613 125.531 119.914 0.006 0.000 2.416 109 V HA 0.092 4.218 4.120 0.010 0.000 0.260 109 V C 0.685 176.801 176.094 0.037 0.000 1.018 109 V CA 0.226 62.539 62.300 0.021 0.000 1.120 109 V CB -0.819 30.996 31.823 -0.013 0.000 1.081 109 V HN 0.857 nan 8.190 nan 0.000 0.474 110 N N 6.168 124.937 118.700 0.114 0.000 2.824 110 N HA 0.293 5.038 4.740 0.010 0.000 0.224 110 N C -3.143 172.364 175.510 -0.005 0.000 1.418 110 N CA -1.092 51.999 53.050 0.070 0.000 0.743 110 N CB 1.828 40.412 38.487 0.162 0.000 1.395 110 N HN 0.182 nan 8.380 nan 0.000 0.548 111 P HA 0.262 nan 4.420 nan 0.000 0.271 111 P C -2.307 174.719 177.300 -0.457 0.000 1.216 111 P CA -0.935 61.775 63.100 -0.650 0.000 0.771 111 P CB 0.554 31.713 31.700 -0.901 0.000 0.864 112 P HA 0.283 nan 4.420 nan 0.000 0.257 112 P C -0.805 176.360 177.300 -0.224 0.000 1.737 112 P CA -0.343 62.538 63.100 -0.364 0.000 1.130 112 P CB -0.080 31.464 31.700 -0.260 0.000 1.572 113 F N 0.568 120.650 119.950 0.220 0.000 2.378 113 F HA 0.435 4.968 4.527 0.010 0.000 0.325 113 F C 1.240 177.215 175.800 0.293 0.000 1.097 113 F CA -1.040 57.095 58.000 0.225 0.000 1.079 113 F CB 1.209 40.279 39.000 0.116 0.000 1.240 113 F HN -0.186 nan 8.300 nan 0.000 0.519 114 V N -0.657 119.531 119.914 0.457 0.000 3.074 114 V HA 0.707 4.832 4.120 0.010 0.000 0.314 114 V C -2.725 173.515 176.094 0.244 0.000 1.117 114 V CA -2.726 59.738 62.300 0.273 0.000 1.014 114 V CB 1.392 33.380 31.823 0.274 0.000 1.057 114 V HN 0.495 nan 8.190 nan 0.000 0.438 115 P HA 0.205 nan 4.420 nan 0.000 0.269 115 P C 0.938 178.371 177.300 0.223 0.000 1.217 115 P CA 0.430 63.626 63.100 0.160 0.000 0.783 115 P CB 0.356 32.138 31.700 0.136 0.000 0.898 116 T N -2.622 112.034 114.554 0.170 0.000 3.055 116 T HA -0.017 4.339 4.350 0.010 0.000 0.265 116 T C 0.407 175.207 174.700 0.166 0.000 1.111 116 T CA 0.691 62.890 62.100 0.165 0.000 1.118 116 T CB -0.285 68.651 68.868 0.113 0.000 0.909 116 T HN 0.414 nan 8.240 nan 0.000 0.501 117 E N 2.445 122.755 120.200 0.183 0.000 2.167 117 E HA 0.279 4.635 4.350 0.010 0.000 0.247 117 E C -0.872 175.877 176.600 0.249 0.000 0.961 117 E CA -0.454 56.057 56.400 0.185 0.000 0.797 117 E CB 0.338 30.156 29.700 0.196 0.000 1.182 117 E HN 0.137 nan 8.360 nan 0.000 0.437 118 N N 3.622 122.432 118.700 0.184 0.000 2.621 118 N HA 0.209 4.954 4.740 0.010 0.000 0.237 118 N C -2.737 172.741 175.510 -0.053 0.000 0.997 118 N CA -2.492 50.667 53.050 0.183 0.000 0.918 118 N CB 0.892 39.508 38.487 0.214 0.000 1.122 118 N HN 0.034 nan 8.380 nan 0.000 0.510 119 P HA -0.057 nan 4.420 nan 0.000 0.259 119 P C -0.841 176.236 177.300 -0.372 0.000 1.155 119 P CA 0.745 63.694 63.100 -0.252 0.000 0.759 119 P CB 0.306 32.200 31.700 0.322 0.000 0.753 120 T N 2.872 116.907 114.554 -0.864 0.000 2.841 120 T HA 0.539 4.895 4.350 0.010 0.000 0.285 120 T C 0.198 174.355 174.700 -0.904 0.000 0.991 120 T CA -0.556 61.164 62.100 -0.633 0.000 0.966 120 T CB 1.605 70.190 68.868 -0.472 0.000 0.962 120 T HN 0.318 nan 8.240 nan 0.000 0.438 121 G N 1.124 109.526 108.800 -0.663 0.000 2.335 121 G HA2 0.474 4.440 3.960 0.010 0.000 0.314 121 G HA3 0.474 4.440 3.960 0.010 0.000 0.314 121 G C -0.169 174.556 174.900 -0.293 0.000 1.129 121 G CA -0.386 44.381 45.100 -0.555 0.000 0.912 121 G HN 0.881 nan 8.290 nan 0.000 0.443 122 C N 3.412 122.309 119.300 -0.672 0.000 2.203 122 C HA 0.404 4.870 4.460 0.010 0.000 0.325 122 C C -0.384 174.592 174.990 -0.022 0.000 1.156 122 C CA -0.995 57.739 59.018 -0.472 0.000 1.597 122 C CB -1.902 25.167 27.740 -1.119 0.000 2.148 122 C HN 0.632 nan 8.230 nan 0.000 0.472 123 Y N 2.034 122.613 120.300 0.466 0.000 2.334 123 Y HA 0.565 5.121 4.550 0.010 0.000 0.328 123 Y C 0.797 177.155 175.900 0.763 0.000 1.130 123 Y CA 0.198 58.678 58.100 0.634 0.000 1.163 123 Y CB 1.470 40.235 38.460 0.509 0.000 1.207 123 Y HN 0.645 nan 8.280 nan 0.000 0.471 124 S N 4.048 120.265 115.700 0.862 0.000 2.556 124 S HA 0.824 5.300 4.470 0.010 0.000 0.271 124 S C -1.856 172.852 174.600 0.180 0.000 1.135 124 S CA -0.772 57.724 58.200 0.494 0.000 0.858 124 S CB 1.796 65.195 63.200 0.333 0.000 1.114 124 S HN 0.763 nan 8.310 nan 0.000 0.468 125 L N 1.567 122.722 121.223 -0.113 0.000 2.588 125 L HA 0.666 5.012 4.340 0.010 0.000 0.263 125 L C -1.285 175.566 176.870 -0.032 0.000 0.935 125 L CA 0.024 54.608 54.840 -0.427 0.000 0.891 125 L CB 2.104 43.209 42.059 -1.591 0.000 1.318 125 L HN 0.817 nan 8.230 nan 0.000 0.409 126 T N 5.266 119.807 114.554 -0.022 0.000 2.771 126 T HA 0.776 5.132 4.350 0.010 0.000 0.281 126 T C -0.902 173.855 174.700 0.096 0.000 0.982 126 T CA -0.075 62.041 62.100 0.025 0.000 0.978 126 T CB 0.512 69.348 68.868 -0.055 0.000 0.930 126 T HN 0.468 nan 8.240 nan 0.000 0.447 127 F N 1.444 121.308 119.950 -0.143 0.000 2.715 127 F HA 0.704 5.237 4.527 0.010 0.000 0.318 127 F C -0.154 175.583 175.800 -0.105 0.000 1.141 127 F CA -1.489 56.429 58.000 -0.136 0.000 0.950 127 F CB 0.738 39.641 39.000 -0.162 0.000 1.374 127 F HN 0.237 nan 8.300 nan 0.000 0.477 128 N N -0.561 118.102 118.700 -0.061 0.000 2.332 128 N HA 0.747 5.493 4.740 0.010 0.000 0.285 128 N C -1.402 174.042 175.510 -0.109 0.000 1.292 128 N CA 0.319 53.292 53.050 -0.128 0.000 0.947 128 N CB 0.989 39.423 38.487 -0.089 0.000 1.084 128 N HN 0.776 nan 8.380 nan 0.000 0.529 129 V N -1.740 118.089 119.914 -0.142 0.000 2.874 129 V HA 0.115 4.241 4.120 0.010 0.000 0.251 129 V C -1.176 174.795 176.094 -0.204 0.000 1.750 129 V CA -1.156 61.037 62.300 -0.178 0.000 0.858 129 V CB 0.699 32.504 31.823 -0.030 0.000 1.228 129 V HN 0.512 nan 8.190 nan 0.000 0.487 130 D N 2.507 122.669 120.400 -0.396 0.000 2.525 130 D HA 0.025 4.671 4.640 0.010 0.000 0.235 130 D C 1.132 177.407 176.300 -0.043 0.000 1.137 130 D CA 0.858 54.711 54.000 -0.245 0.000 0.868 130 D CB 1.767 42.347 40.800 -0.366 0.000 1.180 130 D HN 0.938 nan 8.370 nan 0.000 0.465 131 E N 1.217 121.415 120.200 -0.004 0.000 2.204 131 E HA -0.154 4.202 4.350 0.010 0.000 0.194 131 E C 1.572 178.226 176.600 0.090 0.000 0.989 131 E CA 0.814 57.239 56.400 0.041 0.000 0.824 131 E CB 0.229 29.940 29.700 0.018 0.000 0.756 131 E HN 0.485 nan 8.360 nan 0.000 0.477 132 S N 0.148 115.907 115.700 0.098 0.000 2.402 132 S HA -0.193 4.283 4.470 0.010 0.000 0.233 132 S C 1.414 176.084 174.600 0.118 0.000 1.030 132 S CA 1.059 59.322 58.200 0.105 0.000 1.003 132 S CB -0.689 62.584 63.200 0.121 0.000 0.813 132 S HN 0.411 nan 8.310 nan 0.000 0.477 133 W N 1.516 122.716 121.300 -0.168 0.000 2.374 133 W HA 0.123 4.789 4.660 0.010 0.000 0.288 133 W C 1.791 178.320 176.519 0.018 0.000 1.218 133 W CA 0.186 57.392 57.345 -0.231 0.000 1.245 133 W CB -0.766 28.643 29.460 -0.085 0.000 1.126 133 W HN 0.287 nan 8.180 nan 0.000 0.545 134 L N -0.585 120.779 121.223 0.236 0.000 2.249 134 L HA -0.084 4.262 4.340 0.010 0.000 0.207 134 L C 2.510 179.452 176.870 0.120 0.000 1.090 134 L CA 1.143 56.087 54.840 0.173 0.000 0.802 134 L CB -1.472 40.668 42.059 0.135 0.000 0.947 134 L HN -0.099 nan 8.230 nan 0.000 0.453 135 Q N 1.309 121.165 119.800 0.094 0.000 2.096 135 Q HA -0.150 4.196 4.340 0.010 0.000 0.208 135 Q C 0.172 176.214 176.000 0.069 0.000 0.993 135 Q CA 1.673 57.515 55.803 0.066 0.000 0.862 135 Q CB -0.359 28.409 28.738 0.049 0.000 0.915 135 Q HN 0.741 nan 8.270 nan 0.000 0.416 136 E N -2.721 117.534 120.200 0.092 0.000 2.388 136 E HA 0.559 4.915 4.350 0.010 0.000 0.282 136 E C -0.439 176.266 176.600 0.174 0.000 1.026 136 E CA -0.292 56.166 56.400 0.097 0.000 0.820 136 E CB 1.458 31.194 29.700 0.060 0.000 1.226 136 E HN 0.148 nan 8.360 nan 0.000 0.432 137 G N 0.942 109.801 108.800 0.098 0.000 2.462 137 G HA2 -0.052 3.914 3.960 0.010 0.000 0.685 137 G HA3 -0.052 3.914 3.960 0.010 0.000 0.685 137 G C -1.347 173.467 174.900 -0.143 0.000 1.295 137 G CA -0.380 44.693 45.100 -0.044 0.000 0.941 137 G HN 0.717 nan 8.290 nan 0.000 0.554 138 Q N -0.346 119.243 119.800 -0.352 0.000 2.245 138 Q HA 0.677 5.023 4.340 0.010 0.000 0.256 138 Q C -0.872 174.911 176.000 -0.360 0.000 0.942 138 Q CA -0.296 55.364 55.803 -0.239 0.000 0.896 138 Q CB 1.392 30.039 28.738 -0.152 0.000 1.272 138 Q HN 0.567 nan 8.270 nan 0.000 0.442 139 T N 5.272 119.786 114.554 -0.066 0.000 2.833 139 T HA 0.407 4.763 4.350 0.010 0.000 0.297 139 T C -0.613 174.158 174.700 0.119 0.000 1.015 139 T CA -0.704 61.434 62.100 0.062 0.000 0.963 139 T CB 0.610 69.671 68.868 0.321 0.000 0.955 139 T HN 0.553 nan 8.240 nan 0.000 0.449 140 R N 4.019 124.569 120.500 0.084 0.000 2.807 140 R HA 0.624 4.970 4.340 0.010 0.000 0.276 140 R C -1.383 174.989 176.300 0.121 0.000 0.979 140 R CA -0.810 55.360 56.100 0.117 0.000 0.928 140 R CB 1.707 32.058 30.300 0.085 0.000 1.191 140 R HN 0.606 nan 8.270 nan 0.000 0.471 141 I N 2.736 123.388 120.570 0.137 0.000 2.577 141 I HA 0.413 4.589 4.170 0.010 0.000 0.305 141 I C -0.858 175.271 176.117 0.020 0.000 0.986 141 I CA -1.398 59.932 61.300 0.051 0.000 1.189 141 I CB 1.480 39.501 38.000 0.034 0.000 1.355 141 I HN 0.630 nan 8.210 nan 0.000 0.476 142 I N 6.286 126.762 120.570 -0.155 0.000 2.468 142 I HA 0.243 4.419 4.170 0.010 0.000 0.284 142 I C -1.149 174.760 176.117 -0.346 0.000 1.038 142 I CA -0.184 61.030 61.300 -0.143 0.000 1.083 142 I CB 1.409 39.362 38.000 -0.079 0.000 1.223 142 I HN 0.278 nan 8.210 nan 0.000 0.443 143 F N 4.670 124.632 119.950 0.019 0.000 2.390 143 F HA 0.235 4.768 4.527 0.009 0.000 0.361 143 F C 1.421 177.142 175.800 -0.133 0.000 1.124 143 F CA -0.227 57.725 58.000 -0.080 0.000 1.149 143 F CB 0.716 39.670 39.000 -0.078 0.000 1.160 143 F HN 0.487 nan 8.300 nan 0.000 0.501 144 D N 2.510 122.855 120.400 -0.091 0.000 2.363 144 D HA 0.132 4.778 4.640 0.010 0.000 0.220 144 D C 0.796 176.953 176.300 -0.239 0.000 0.994 144 D CA 0.615 54.527 54.000 -0.147 0.000 0.890 144 D CB 0.455 41.146 40.800 -0.181 0.000 0.906 144 D HN 0.689 nan 8.370 nan 0.000 0.530 145 G N -0.427 108.169 108.800 -0.339 0.000 2.219 145 G HA2 0.311 4.277 3.960 0.010 0.000 0.304 145 G HA3 0.311 4.277 3.960 0.010 0.000 0.304 145 G C -1.529 172.914 174.900 -0.762 0.000 1.712 145 G CA -0.600 44.092 45.100 -0.681 0.000 0.905 145 G HN -0.056 nan 8.290 nan 0.000 0.706 146 V N 2.947 122.742 119.914 -0.199 0.000 2.509 146 V HA 0.438 4.564 4.120 0.010 0.000 0.289 146 V C -0.664 175.611 176.094 0.302 0.000 1.026 146 V CA -1.220 61.090 62.300 0.016 0.000 0.872 146 V CB 1.683 33.350 31.823 -0.259 0.000 1.017 146 V HN 0.712 nan 8.190 nan 0.000 0.436 147 N N 2.234 121.161 118.700 0.379 0.000 2.422 147 N HA 0.295 5.041 4.740 0.010 0.000 0.266 147 N C 0.896 176.376 175.510 -0.051 0.000 1.007 147 N CA 0.427 53.524 53.050 0.079 0.000 0.941 147 N CB 2.143 40.454 38.487 -0.294 0.000 1.115 147 N HN 0.694 nan 8.380 nan 0.000 0.492 148 S N 2.008 117.712 115.700 0.006 0.000 2.505 148 S HA 0.490 4.966 4.470 0.010 0.000 0.216 148 S C 0.265 174.939 174.600 0.124 0.000 1.018 148 S CA 0.145 58.394 58.200 0.083 0.000 0.911 148 S CB 0.315 63.582 63.200 0.111 0.000 0.818 148 S HN 0.623 nan 8.310 nan 0.000 0.497 149 A N 0.644 123.547 122.820 0.139 0.000 2.612 149 A HA 0.768 5.094 4.320 0.010 0.000 0.293 149 A C -1.285 176.405 177.584 0.178 0.000 1.075 149 A CA -0.821 51.256 52.037 0.067 0.000 0.680 149 A CB 0.910 19.980 19.000 0.117 0.000 1.279 149 A HN 1.211 nan 8.150 nan 0.000 0.411 150 F N -0.540 119.304 119.950 -0.176 0.000 2.744 150 F HA 0.755 5.288 4.527 0.009 0.000 0.311 150 F C -1.523 174.271 175.800 -0.010 0.000 1.144 150 F CA -0.690 57.279 58.000 -0.052 0.000 0.938 150 F CB 1.021 39.959 39.000 -0.104 0.000 1.292 150 F HN 0.656 nan 8.300 nan 0.000 0.444 151 H N 2.048 121.344 119.070 0.377 0.000 2.569 151 H HA 0.810 5.372 4.556 0.010 0.000 0.357 151 H C -1.452 173.901 175.328 0.041 0.000 1.153 151 H CA -0.757 55.401 56.048 0.184 0.000 1.193 151 H CB 2.321 32.213 29.762 0.216 0.000 1.602 151 H HN 0.955 nan 8.280 nan 0.000 0.523 152 L N 2.104 123.152 121.223 -0.292 0.000 2.431 152 L HA 0.452 4.798 4.340 0.010 0.000 0.266 152 L C -1.690 174.786 176.870 -0.656 0.000 0.978 152 L CA -0.496 54.185 54.840 -0.265 0.000 0.822 152 L CB 1.910 43.908 42.059 -0.102 0.000 1.310 152 L HN 0.445 nan 8.230 nan 0.000 0.409 153 W N 3.756 125.033 121.300 -0.038 0.000 2.647 153 W HA 0.664 5.330 4.660 0.010 0.000 0.353 153 W C -0.882 175.577 176.519 -0.101 0.000 1.080 153 W CA -0.815 56.473 57.345 -0.095 0.000 1.208 153 W CB 1.988 31.427 29.460 -0.035 0.000 1.396 153 W HN 0.758 nan 8.180 nan 0.000 0.573 154 C N 4.050 123.434 119.300 0.141 0.000 2.481 154 C HA 0.330 4.796 4.460 0.010 0.000 0.324 154 C C -0.036 175.073 174.990 0.199 0.000 1.170 154 C CA -0.481 58.615 59.018 0.130 0.000 1.361 154 C CB -0.210 27.566 27.740 0.060 0.000 1.977 154 C HN 0.804 nan 8.230 nan 0.000 0.459 155 N N 3.644 122.423 118.700 0.133 0.000 2.714 155 N HA -0.172 4.573 4.740 0.010 0.000 0.253 155 N C 1.096 176.679 175.510 0.122 0.000 1.024 155 N CA 2.200 55.309 53.050 0.097 0.000 0.726 155 N CB -1.262 37.288 38.487 0.105 0.000 0.908 155 N HN 2.020 nan 8.380 nan 0.000 0.542 156 G N -1.234 107.615 108.800 0.081 0.000 2.302 156 G HA2 -0.420 3.546 3.960 0.010 0.000 0.263 156 G HA3 -0.420 3.546 3.960 0.010 0.000 0.263 156 G C 0.272 175.327 174.900 0.258 0.000 0.995 156 G CA 0.926 46.059 45.100 0.054 0.000 0.622 156 G HN 0.642 nan 8.290 nan 0.000 0.538 157 R N -0.787 119.939 120.500 0.378 0.000 2.441 157 R HA 0.417 4.763 4.340 0.010 0.000 0.284 157 R C -0.057 176.599 176.300 0.594 0.000 1.070 157 R CA -0.528 55.886 56.100 0.523 0.000 1.047 157 R CB 0.758 31.426 30.300 0.612 0.000 1.016 157 R HN 0.268 nan 8.270 nan 0.000 0.477 158 W N 3.403 124.910 121.300 0.345 0.000 2.311 158 W HA 0.178 4.843 4.660 0.009 0.000 0.310 158 W C 0.096 176.469 176.519 -0.243 0.000 1.274 158 W CA -0.312 56.863 57.345 -0.283 0.000 1.215 158 W CB 0.736 30.049 29.460 -0.244 0.000 1.227 158 W HN 0.325 nan 8.180 nan 0.000 0.523 159 V N 5.650 124.789 119.914 -1.292 0.000 2.581 159 V HA 0.491 4.617 4.120 0.010 0.000 0.240 159 V C 1.132 176.226 176.094 -1.667 0.000 1.054 159 V CA 1.208 62.719 62.300 -1.314 0.000 1.076 159 V CB -0.607 30.534 31.823 -1.138 0.000 0.748 159 V HN 0.835 nan 8.190 nan 0.000 0.474 160 G N -1.971 105.484 108.800 -2.242 0.000 2.313 160 G HA2 0.391 4.357 3.960 0.010 0.000 0.296 160 G HA3 0.391 4.357 3.960 0.010 0.000 0.296 160 G C -2.405 172.130 174.900 -0.608 0.000 1.356 160 G CA -0.420 43.807 45.100 -1.455 0.000 0.833 160 G HN -0.067 nan 8.290 nan 0.000 0.552 161 Y N -0.202 120.035 120.300 -0.106 0.000 2.562 161 Y HA 0.793 5.348 4.550 0.010 0.000 0.343 161 Y C 0.278 176.075 175.900 -0.171 0.000 1.025 161 Y CA -0.186 57.812 58.100 -0.171 0.000 1.082 161 Y CB 2.399 40.887 38.460 0.047 0.000 1.264 161 Y HN 1.217 nan 8.280 nan 0.000 0.478 162 G N 3.033 111.123 108.800 -1.183 0.000 2.742 162 G HA2 0.578 4.544 3.960 0.010 0.000 0.296 162 G HA3 0.578 4.544 3.960 0.010 0.000 0.296 162 G C -2.112 172.231 174.900 -0.929 0.000 1.436 162 G CA -0.837 43.705 45.100 -0.931 0.000 0.928 162 G HN 0.601 nan 8.290 nan 0.000 0.520 163 Q N -0.263 119.272 119.800 -0.442 0.000 2.605 163 Q HA 0.595 4.941 4.340 0.010 0.000 0.296 163 Q C -1.493 174.475 176.000 -0.053 0.000 1.056 163 Q CA -0.825 54.855 55.803 -0.204 0.000 0.778 163 Q CB 2.890 31.546 28.738 -0.138 0.000 1.497 163 Q HN 0.715 nan 8.270 nan 0.000 0.443 164 D N -0.241 120.177 120.400 0.030 0.000 4.303 164 D HA -0.099 4.547 4.640 0.010 0.000 0.230 164 D C -0.443 175.917 176.300 0.100 0.000 1.172 164 D CA 0.735 54.777 54.000 0.071 0.000 1.001 164 D CB -0.676 40.152 40.800 0.046 0.000 0.641 164 D HN 0.546 nan 8.370 nan 0.000 0.296 165 S N 3.449 119.233 115.700 0.141 0.000 2.555 165 S HA -0.039 4.437 4.470 0.010 0.000 0.230 165 S C 1.563 176.314 174.600 0.252 0.000 0.978 165 S CA 0.336 58.665 58.200 0.214 0.000 0.934 165 S CB 0.310 63.642 63.200 0.219 0.000 0.766 165 S HN 0.524 nan 8.310 nan 0.000 0.533 166 R N 0.152 120.755 120.500 0.171 0.000 2.437 166 R HA 0.438 4.783 4.340 0.010 0.000 0.257 166 R C -0.050 176.323 176.300 0.121 0.000 0.927 166 R CA 0.027 56.227 56.100 0.167 0.000 1.078 166 R CB 0.125 30.549 30.300 0.207 0.000 1.161 166 R HN 0.364 nan 8.270 nan 0.000 0.529 167 L N 1.920 123.187 121.223 0.073 0.000 2.319 167 L HA 0.519 4.865 4.340 0.010 0.000 0.267 167 L C -2.340 174.524 176.870 -0.010 0.000 1.011 167 L CA -2.166 52.688 54.840 0.024 0.000 0.818 167 L CB 2.335 44.400 42.059 0.010 0.000 1.316 167 L HN -0.223 nan 8.230 nan 0.000 0.432 168 P HA 0.243 nan 4.420 nan 0.000 0.281 168 P C -1.280 176.002 177.300 -0.030 0.000 1.249 168 P CA -0.493 62.583 63.100 -0.041 0.000 0.810 168 P CB 1.312 32.953 31.700 -0.098 0.000 1.008 169 S N 1.048 116.792 115.700 0.072 0.000 2.552 169 S HA 0.358 4.833 4.470 0.010 0.000 0.314 169 S C -0.613 174.005 174.600 0.031 0.000 1.099 169 S CA -0.646 57.569 58.200 0.025 0.000 1.070 169 S CB 0.824 64.161 63.200 0.229 0.000 0.998 169 S HN 0.358 nan 8.310 nan 0.000 0.474 170 E N 1.912 121.937 120.200 -0.292 0.000 2.199 170 E HA 0.603 4.959 4.350 0.010 0.000 0.269 170 E C -1.399 174.892 176.600 -0.515 0.000 0.899 170 E CA -0.547 55.738 56.400 -0.193 0.000 0.772 170 E CB 1.623 31.294 29.700 -0.049 0.000 1.155 170 E HN 0.429 nan 8.360 nan 0.000 0.408 171 F N 0.640 120.644 119.950 0.090 0.000 2.578 171 F HA 0.200 4.733 4.527 0.010 0.000 0.311 171 F C -0.150 175.677 175.800 0.045 0.000 1.094 171 F CA -1.130 56.897 58.000 0.044 0.000 0.923 171 F CB 1.726 40.738 39.000 0.020 0.000 1.230 171 F HN 0.296 nan 8.300 nan 0.000 0.450 172 D N 2.769 123.308 120.400 0.233 0.000 2.325 172 D HA 0.242 4.888 4.640 0.010 0.000 0.251 172 D C 0.381 176.817 176.300 0.227 0.000 1.196 172 D CA 0.261 54.373 54.000 0.187 0.000 0.866 172 D CB 1.011 41.900 40.800 0.148 0.000 1.101 172 D HN 0.542 nan 8.370 nan 0.000 0.476 173 L N 2.710 124.072 121.223 0.232 0.000 2.585 173 L HA -0.000 4.346 4.340 0.010 0.000 0.226 173 L C 2.146 179.255 176.870 0.399 0.000 1.113 173 L CA -0.139 54.874 54.840 0.287 0.000 0.876 173 L CB -0.104 42.106 42.059 0.252 0.000 1.072 173 L HN 0.349 nan 8.230 nan 0.000 0.468 174 S N 1.188 117.065 115.700 0.295 0.000 2.412 174 S HA -0.378 4.098 4.470 0.010 0.000 0.246 174 S C 2.174 176.894 174.600 0.200 0.000 1.073 174 S CA 2.235 60.568 58.200 0.222 0.000 1.186 174 S CB -0.259 63.026 63.200 0.143 0.000 1.084 174 S HN 0.591 nan 8.310 nan 0.000 0.434 175 A N 0.270 123.194 122.820 0.174 0.000 1.902 175 A HA -0.048 4.278 4.320 0.010 0.000 0.217 175 A C 1.886 179.366 177.584 -0.172 0.000 1.181 175 A CA 1.802 53.782 52.037 -0.095 0.000 0.623 175 A CB -0.820 17.946 19.000 -0.389 0.000 0.818 175 A HN 0.531 nan 8.150 nan 0.000 0.443 176 F N -0.048 119.947 119.950 0.076 0.000 2.416 176 F HA 0.204 4.736 4.527 0.010 0.000 0.296 176 F C 1.076 176.917 175.800 0.068 0.000 1.099 176 F CA -0.129 57.915 58.000 0.073 0.000 1.427 176 F CB -0.520 38.529 39.000 0.082 0.000 1.079 176 F HN -0.011 nan 8.300 nan 0.000 0.536 177 L N 1.975 123.380 121.223 0.303 0.000 2.499 177 L HA 0.075 4.421 4.340 0.010 0.000 0.281 177 L C 0.577 177.506 176.870 0.099 0.000 1.234 177 L CA 0.526 55.480 54.840 0.191 0.000 0.839 177 L CB 0.443 42.639 42.059 0.227 0.000 1.104 177 L HN 0.270 nan 8.230 nan 0.000 0.500 178 R N 2.073 122.592 120.500 0.032 0.000 2.740 178 R HA 0.596 4.942 4.340 0.010 0.000 0.273 178 R C -0.962 175.321 176.300 -0.029 0.000 0.998 178 R CA -0.714 55.387 56.100 0.002 0.000 0.900 178 R CB 1.616 31.907 30.300 -0.016 0.000 1.223 178 R HN 0.609 nan 8.270 nan 0.000 0.466 179 A N 2.125 124.934 122.820 -0.019 0.000 2.573 179 A HA 0.361 4.687 4.320 0.010 0.000 0.250 179 A C 1.289 178.829 177.584 -0.074 0.000 1.049 179 A CA 1.354 53.372 52.037 -0.031 0.000 0.767 179 A CB -1.011 17.977 19.000 -0.020 0.000 0.965 179 A HN 1.419 nan 8.150 nan 0.000 0.514 180 G N 2.653 111.396 108.800 -0.095 0.000 2.675 180 G HA2 -0.313 3.653 3.960 0.010 0.000 0.312 180 G HA3 -0.313 3.653 3.960 0.010 0.000 0.312 180 G C 0.147 174.920 174.900 -0.212 0.000 1.186 180 G CA 0.586 45.607 45.100 -0.132 0.000 0.965 180 G HN 1.066 nan 8.290 nan 0.000 0.548 181 E N 2.822 122.910 120.200 -0.188 0.000 2.341 181 E HA 0.282 4.638 4.350 0.010 0.000 0.256 181 E C 0.202 176.604 176.600 -0.329 0.000 1.125 181 E CA 0.263 56.516 56.400 -0.246 0.000 0.939 181 E CB -0.044 29.553 29.700 -0.172 0.000 0.991 181 E HN 0.436 nan 8.360 nan 0.000 0.458 182 N N 3.173 121.506 118.700 -0.612 0.000 2.292 182 N HA 0.417 5.163 4.740 0.010 0.000 0.303 182 N C -0.700 174.482 175.510 -0.546 0.000 1.140 182 N CA -0.802 51.850 53.050 -0.664 0.000 0.788 182 N CB 2.166 40.158 38.487 -0.825 0.000 1.361 182 N HN 0.233 nan 8.380 nan 0.000 0.489 183 R N 1.681 122.061 120.500 -0.200 0.000 2.575 183 R HA 0.384 4.730 4.340 0.010 0.000 0.293 183 R C -1.355 175.011 176.300 0.110 0.000 0.983 183 R CA -0.600 55.486 56.100 -0.024 0.000 0.887 183 R CB 1.328 31.585 30.300 -0.072 0.000 1.184 183 R HN 0.469 nan 8.270 nan 0.000 0.445 184 L N 3.329 124.678 121.223 0.211 0.000 2.264 184 L HA 0.493 4.839 4.340 0.010 0.000 0.289 184 L C -0.276 176.705 176.870 0.185 0.000 1.044 184 L CA -0.347 54.639 54.840 0.243 0.000 0.807 184 L CB 1.519 43.722 42.059 0.240 0.000 1.192 184 L HN 0.713 nan 8.230 nan 0.000 0.425 185 A N 5.164 128.103 122.820 0.198 0.000 2.293 185 A HA 0.630 4.956 4.320 0.010 0.000 0.312 185 A C -0.625 177.292 177.584 0.556 0.000 1.309 185 A CA -0.468 51.631 52.037 0.104 0.000 0.839 185 A CB 0.947 19.650 19.000 -0.495 0.000 1.155 185 A HN 0.393 nan 8.150 nan 0.000 0.501 186 V N 2.962 123.305 119.914 0.715 0.000 2.334 186 V HA 0.428 4.554 4.120 0.010 0.000 0.281 186 V C 0.131 176.704 176.094 0.798 0.000 1.016 186 V CA -0.328 62.369 62.300 0.662 0.000 0.832 186 V CB 1.074 33.035 31.823 0.230 0.000 0.999 186 V HN 0.947 nan 8.190 nan 0.000 0.439 187 M N 6.222 126.306 119.600 0.805 0.000 2.495 187 M HA 0.458 4.944 4.480 0.010 0.000 0.346 187 M C -1.158 175.389 176.300 0.411 0.000 1.251 187 M CA -0.290 55.337 55.300 0.544 0.000 1.249 187 M CB 0.649 33.633 32.600 0.639 0.000 1.229 187 M HN 0.472 nan 8.290 nan 0.000 0.450 188 V N 6.197 126.334 119.914 0.370 0.000 2.488 188 V HA 0.241 4.366 4.120 0.010 0.000 0.277 188 V C 0.219 176.479 176.094 0.276 0.000 1.046 188 V CA -0.522 61.993 62.300 0.357 0.000 0.986 188 V CB 0.690 32.774 31.823 0.435 0.000 0.989 188 V HN 0.745 nan 8.190 nan 0.000 0.475 189 L N 3.935 125.263 121.223 0.176 0.000 2.295 189 L HA 0.600 4.946 4.340 0.010 0.000 0.285 189 L C 1.407 178.321 176.870 0.074 0.000 1.035 189 L CA -0.658 54.214 54.840 0.054 0.000 0.806 189 L CB 0.871 42.817 42.059 -0.188 0.000 1.214 189 L HN 0.531 nan 8.230 nan 0.000 0.426 190 R N 2.232 122.742 120.500 0.016 0.000 2.091 190 R HA -0.052 4.293 4.340 0.010 0.000 0.238 190 R C -0.520 175.594 176.300 -0.310 0.000 1.136 190 R CA 1.864 57.782 56.100 -0.303 0.000 0.959 190 R CB 0.195 30.126 30.300 -0.616 0.000 0.856 190 R HN 0.686 nan 8.270 nan 0.000 0.437 191 W N -1.045 120.319 121.300 0.106 0.000 2.950 191 W HA 0.349 5.015 4.660 0.009 0.000 0.340 191 W C -0.248 176.380 176.519 0.181 0.000 1.139 191 W CA -0.866 56.544 57.345 0.108 0.000 1.188 191 W CB 1.682 31.203 29.460 0.102 0.000 1.426 191 W HN -0.044 nan 8.180 nan 0.000 0.531 192 S N -1.401 114.582 115.700 0.472 0.000 2.800 192 S HA 0.181 4.657 4.470 0.010 0.000 0.293 192 S C 0.333 175.147 174.600 0.356 0.000 1.209 192 S CA -0.323 58.167 58.200 0.484 0.000 0.884 192 S CB 0.999 64.484 63.200 0.475 0.000 1.244 192 S HN 0.645 nan 8.310 nan 0.000 0.540 193 D N 0.515 121.144 120.400 0.381 0.000 2.219 193 D HA -0.016 4.630 4.640 0.010 0.000 0.205 193 D C 1.872 178.481 176.300 0.515 0.000 0.970 193 D CA 1.332 55.616 54.000 0.474 0.000 0.851 193 D CB -1.015 39.976 40.800 0.319 0.000 0.943 193 D HN 0.703 nan 8.370 nan 0.000 0.488 194 G N 1.100 110.112 108.800 0.352 0.000 2.442 194 G HA2 -0.276 3.690 3.960 0.010 0.000 0.219 194 G HA3 -0.276 3.690 3.960 0.010 0.000 0.219 194 G C 1.792 176.854 174.900 0.271 0.000 1.141 194 G CA 0.930 46.211 45.100 0.302 0.000 0.763 194 G HN 0.302 nan 8.290 nan 0.000 0.554 195 S N -0.105 115.722 115.700 0.212 0.000 2.440 195 S HA -0.113 4.362 4.470 0.010 0.000 0.238 195 S C 1.883 176.546 174.600 0.106 0.000 1.010 195 S CA 0.822 59.120 58.200 0.164 0.000 0.972 195 S CB -0.406 62.886 63.200 0.153 0.000 0.774 195 S HN 0.577 nan 8.310 nan 0.000 0.501 196 Y N 1.150 121.553 120.300 0.172 0.000 2.224 196 Y HA 0.033 4.588 4.550 0.009 0.000 0.289 196 Y C 1.870 177.870 175.900 0.167 0.000 1.146 196 Y CA 0.765 58.878 58.100 0.022 0.000 1.182 196 Y CB -0.122 38.237 38.460 -0.169 0.000 0.983 196 Y HN 0.188 nan 8.280 nan 0.000 0.524 197 L N -0.191 121.225 121.223 0.321 0.000 2.591 197 L HA 0.015 4.361 4.340 0.010 0.000 0.228 197 L C 0.147 177.164 176.870 0.246 0.000 1.133 197 L CA 0.682 55.676 54.840 0.257 0.000 0.880 197 L CB -0.052 42.167 42.059 0.266 0.000 1.033 197 L HN 0.209 nan 8.230 nan 0.000 0.450 198 E N -0.431 119.928 120.200 0.265 0.000 3.388 198 E HA 0.007 4.362 4.350 0.010 0.000 0.214 198 E C -0.275 176.445 176.600 0.200 0.000 1.040 198 E CA -0.123 56.416 56.400 0.232 0.000 1.327 198 E CB 0.360 30.187 29.700 0.211 0.000 1.243 198 E HN 0.038 nan 8.360 nan 0.000 0.444 199 D N 1.021 121.506 120.400 0.142 0.000 2.504 199 D HA -0.006 4.639 4.640 0.010 0.000 0.243 199 D C -0.221 176.078 176.300 -0.002 0.000 1.203 199 D CA 0.072 54.038 54.000 -0.057 0.000 0.847 199 D CB 0.080 40.581 40.800 -0.499 0.000 0.973 199 D HN 0.115 nan 8.370 nan 0.000 0.490 200 Q N 0.500 120.392 119.800 0.154 0.000 2.386 200 Q HA 0.075 4.421 4.340 0.010 0.000 0.282 200 Q C -0.136 175.986 176.000 0.203 0.000 1.050 200 Q CA 0.218 56.184 55.803 0.271 0.000 0.918 200 Q CB 0.564 29.588 28.738 0.477 0.000 1.266 200 Q HN 0.096 nan 8.270 nan 0.000 0.423 201 D N 3.196 123.732 120.400 0.228 0.000 2.383 201 D HA 0.278 4.924 4.640 0.010 0.000 0.245 201 D C -0.845 175.583 176.300 0.213 0.000 1.263 201 D CA 0.081 54.169 54.000 0.146 0.000 0.936 201 D CB -0.286 40.573 40.800 0.098 0.000 1.053 201 D HN 0.472 nan 8.370 nan 0.000 0.507 202 M N 0.848 120.550 119.600 0.170 0.000 2.956 202 M HA 0.334 4.820 4.480 0.010 0.000 0.272 202 M C -1.349 175.043 176.300 0.154 0.000 1.132 202 M CA -1.208 54.164 55.300 0.121 0.000 0.805 202 M CB 0.800 33.461 32.600 0.102 0.000 1.639 202 M HN -0.023 nan 8.290 nan 0.000 0.520 203 W N 1.491 122.924 121.300 0.221 0.000 2.391 203 W HA 0.230 4.895 4.660 0.010 0.000 0.339 203 W C 0.213 176.778 176.519 0.076 0.000 1.252 203 W CA 0.330 57.774 57.345 0.164 0.000 1.304 203 W CB 0.200 29.693 29.460 0.055 0.000 1.179 203 W HN 0.373 nan 8.180 nan 0.000 0.567 204 R N 4.046 124.743 120.500 0.327 0.000 2.233 204 R HA 0.420 4.766 4.340 0.010 0.000 0.334 204 R C -0.269 176.063 176.300 0.054 0.000 1.037 204 R CA -0.261 55.950 56.100 0.184 0.000 0.920 204 R CB 0.166 30.618 30.300 0.253 0.000 1.137 204 R HN 0.455 nan 8.270 nan 0.000 0.492 205 M N -0.031 119.500 119.600 -0.117 0.000 2.821 205 M HA 0.600 5.086 4.480 0.010 0.000 0.294 205 M C -0.167 175.812 176.300 -0.534 0.000 1.195 205 M CA -0.687 54.414 55.300 -0.333 0.000 0.784 205 M CB 2.309 34.694 32.600 -0.358 0.000 1.755 205 M HN 0.604 nan 8.290 nan 0.000 0.477 206 S N -1.115 114.119 115.700 -0.777 0.000 2.615 206 S HA 0.973 5.449 4.470 0.010 0.000 0.269 206 S C -0.564 173.474 174.600 -0.936 0.000 1.161 206 S CA -0.185 57.460 58.200 -0.924 0.000 0.817 206 S CB 1.651 64.115 63.200 -1.225 0.000 1.131 206 S HN 1.510 nan 8.310 nan 0.000 0.467 207 G N 0.061 108.524 108.800 -0.562 0.000 2.373 207 G HA2 0.118 4.083 3.960 0.010 0.000 0.634 207 G HA3 0.118 4.083 3.960 0.010 0.000 0.634 207 G C -1.267 173.628 174.900 -0.008 0.000 1.267 207 G CA -0.575 44.469 45.100 -0.093 0.000 1.008 207 G HN 1.241 nan 8.290 nan 0.000 0.497 208 I N 1.832 122.221 120.570 -0.301 0.000 2.278 208 I HA 0.333 4.509 4.170 0.010 0.000 0.296 208 I C 1.104 177.087 176.117 -0.224 0.000 1.121 208 I CA -0.174 60.878 61.300 -0.413 0.000 1.267 208 I CB -0.067 37.457 38.000 -0.794 0.000 1.447 208 I HN 0.530 nan 8.210 nan 0.000 0.509 209 F N 4.414 124.208 119.950 -0.260 0.000 2.682 209 F HA 0.485 5.018 4.527 0.009 0.000 0.308 209 F C 0.619 176.339 175.800 -0.135 0.000 1.093 209 F CA -0.587 57.291 58.000 -0.204 0.000 1.244 209 F CB 0.160 39.038 39.000 -0.204 0.000 1.052 209 F HN 0.133 nan 8.300 nan 0.000 0.573 210 R N 1.002 121.185 120.500 -0.529 0.000 2.912 210 R HA 0.275 4.621 4.340 0.010 0.000 0.262 210 R C -0.919 175.244 176.300 -0.228 0.000 1.057 210 R CA -1.030 54.874 56.100 -0.327 0.000 0.981 210 R CB 1.001 31.087 30.300 -0.358 0.000 1.201 210 R HN 0.057 nan 8.270 nan 0.000 0.484 211 D N 0.254 120.586 120.400 -0.114 0.000 2.370 211 D HA 0.158 4.803 4.640 0.010 0.000 0.235 211 D C -0.390 175.801 176.300 -0.181 0.000 1.228 211 D CA 0.256 54.188 54.000 -0.114 0.000 0.884 211 D CB 0.404 41.176 40.800 -0.046 0.000 1.201 211 D HN 0.011 nan 8.370 nan 0.000 0.456 212 V N 0.187 119.993 119.914 -0.180 0.000 2.686 212 V HA 0.625 4.750 4.120 0.010 0.000 0.306 212 V C -0.501 175.484 176.094 -0.181 0.000 1.065 212 V CA -0.650 61.482 62.300 -0.280 0.000 0.894 212 V CB 1.841 33.485 31.823 -0.300 0.000 1.004 212 V HN 0.673 nan 8.190 nan 0.000 0.424 213 S N 4.547 120.112 115.700 -0.225 0.000 2.607 213 S HA 0.794 5.270 4.470 0.010 0.000 0.273 213 S C -1.631 172.925 174.600 -0.074 0.000 1.148 213 S CA -0.708 57.426 58.200 -0.111 0.000 0.833 213 S CB 2.087 65.255 63.200 -0.053 0.000 1.130 213 S HN 0.385 nan 8.310 nan 0.000 0.470 214 L N 2.068 123.315 121.223 0.040 0.000 2.333 214 L HA 0.682 5.027 4.340 0.010 0.000 0.280 214 L C -1.027 176.003 176.870 0.266 0.000 1.004 214 L CA -0.502 54.450 54.840 0.187 0.000 0.820 214 L CB 1.235 43.484 42.059 0.318 0.000 1.247 214 L HN 0.709 nan 8.230 nan 0.000 0.416 215 L N 3.905 125.229 121.223 0.167 0.000 2.381 215 L HA 0.455 4.801 4.340 0.010 0.000 0.274 215 L C -0.764 176.014 176.870 -0.153 0.000 0.988 215 L CA -0.204 54.657 54.840 0.036 0.000 0.824 215 L CB 1.377 43.459 42.059 0.039 0.000 1.263 215 L HN 0.543 nan 8.230 nan 0.000 0.410 216 H N 5.613 124.384 119.070 -0.498 0.000 2.661 216 H HA 0.395 4.957 4.556 0.010 0.000 0.290 216 H C -1.149 173.916 175.328 -0.438 0.000 1.082 216 H CA -0.398 55.184 56.048 -0.778 0.000 1.234 216 H CB 0.816 29.470 29.762 -1.846 0.000 1.387 216 H HN 0.602 nan 8.280 nan 0.000 0.476 217 K N 5.574 125.491 120.400 -0.804 0.000 2.203 217 K HA 0.346 4.672 4.320 0.010 0.000 0.251 217 K C -2.625 173.702 176.600 -0.456 0.000 0.944 217 K CA -2.022 53.986 56.287 -0.464 0.000 0.829 217 K CB 1.891 34.209 32.500 -0.302 0.000 1.125 217 K HN 0.446 nan 8.250 nan 0.000 0.430 218 P HA -0.014 nan 4.420 nan 0.000 0.269 218 P C 0.508 177.723 177.300 -0.142 0.000 1.209 218 P CA 0.039 63.057 63.100 -0.137 0.000 0.776 218 P CB 0.543 32.202 31.700 -0.068 0.000 0.876 219 T N 0.542 115.040 114.554 -0.094 0.000 2.699 219 T HA -0.083 4.272 4.350 0.010 0.000 0.268 219 T C 0.668 175.322 174.700 -0.077 0.000 1.036 219 T CA 1.646 63.699 62.100 -0.079 0.000 1.147 219 T CB -0.450 68.394 68.868 -0.038 0.000 0.862 219 T HN 0.424 nan 8.240 nan 0.000 0.446 220 T N 3.163 117.680 114.554 -0.061 0.000 2.743 220 T HA 0.497 4.853 4.350 0.010 0.000 0.293 220 T C -0.516 174.132 174.700 -0.086 0.000 0.945 220 T CA -0.557 61.503 62.100 -0.066 0.000 1.030 220 T CB 0.801 69.650 68.868 -0.031 0.000 0.912 220 T HN 0.490 nan 8.240 nan 0.000 0.483 221 Q N 2.646 122.376 119.800 -0.117 0.000 2.522 221 Q HA 0.512 4.858 4.340 0.010 0.000 0.285 221 Q C -1.243 174.661 176.000 -0.160 0.000 0.982 221 Q CA -1.079 54.638 55.803 -0.143 0.000 0.805 221 Q CB 1.098 29.727 28.738 -0.183 0.000 1.457 221 Q HN 0.465 nan 8.270 nan 0.000 0.394 222 I N 2.118 122.574 120.570 -0.191 0.000 2.648 222 I HA 0.012 4.187 4.170 0.010 0.000 0.284 222 I C 0.662 176.608 176.117 -0.285 0.000 1.153 222 I CA 0.448 61.634 61.300 -0.189 0.000 1.426 222 I CB 0.936 38.775 38.000 -0.269 0.000 1.381 222 I HN 0.963 nan 8.210 nan 0.000 0.571 223 S N 1.785 117.425 115.700 -0.099 0.000 2.679 223 S HA 0.272 4.747 4.470 0.010 0.000 0.258 223 S C -0.076 174.703 174.600 0.298 0.000 1.068 223 S CA -0.461 57.748 58.200 0.015 0.000 1.115 223 S CB 0.605 63.793 63.200 -0.019 0.000 1.078 223 S HN 0.698 nan 8.310 nan 0.000 0.603 224 D N 0.127 120.724 120.400 0.330 0.000 2.653 224 D HA 0.643 5.289 4.640 0.010 0.000 0.258 224 D C -1.838 174.740 176.300 0.463 0.000 1.252 224 D CA -0.528 53.714 54.000 0.404 0.000 0.777 224 D CB 2.193 43.099 40.800 0.177 0.000 1.339 224 D HN 0.268 nan 8.370 nan 0.000 0.422 225 F N -0.857 119.184 119.950 0.151 0.000 2.704 225 F HA 0.495 5.028 4.527 0.010 0.000 0.312 225 F C -1.937 174.031 175.800 0.281 0.000 1.108 225 F CA -0.773 57.266 58.000 0.065 0.000 1.005 225 F CB 0.853 39.900 39.000 0.078 0.000 1.277 225 F HN 0.287 nan 8.300 nan 0.000 0.445 226 H N 2.306 121.346 119.070 -0.051 0.000 2.600 226 H HA 0.778 5.339 4.556 0.009 0.000 0.357 226 H C -1.321 173.980 175.328 -0.045 0.000 1.106 226 H CA -1.574 54.389 56.048 -0.143 0.000 1.193 226 H CB 2.796 32.505 29.762 -0.087 0.000 1.594 226 H HN 0.611 nan 8.280 nan 0.000 0.526 227 V N 1.651 121.587 119.914 0.036 0.000 2.715 227 V HA 0.779 4.904 4.120 0.010 0.000 0.310 227 V C -0.525 175.536 176.094 -0.055 0.000 1.054 227 V CA -0.449 61.852 62.300 0.003 0.000 0.928 227 V CB 1.600 33.403 31.823 -0.033 0.000 1.007 227 V HN 0.968 nan 8.190 nan 0.000 0.437 228 A N 2.431 125.202 122.820 -0.082 0.000 2.547 228 A HA 0.809 5.135 4.320 0.010 0.000 0.297 228 A C -0.475 177.004 177.584 -0.174 0.000 1.056 228 A CA -0.279 51.691 52.037 -0.113 0.000 0.688 228 A CB 2.105 21.067 19.000 -0.064 0.000 1.282 228 A HN 0.954 nan 8.150 nan 0.000 0.400 229 T N 0.155 114.578 114.554 -0.219 0.000 2.833 229 T HA 0.682 5.038 4.350 0.010 0.000 0.297 229 T C -0.319 174.136 174.700 -0.408 0.000 1.015 229 T CA -0.603 61.289 62.100 -0.346 0.000 0.963 229 T CB 0.601 69.178 68.868 -0.485 0.000 0.955 229 T HN 0.694 nan 8.240 nan 0.000 0.449 230 R N 2.258 122.524 120.500 -0.391 0.000 2.598 230 R HA 0.789 5.134 4.340 0.010 0.000 0.279 230 R C -0.965 175.009 176.300 -0.545 0.000 0.984 230 R CA -0.685 55.234 56.100 -0.301 0.000 0.999 230 R CB 1.141 31.362 30.300 -0.132 0.000 1.114 230 R HN 0.555 nan 8.270 nan 0.000 0.493 231 F N -0.158 119.812 119.950 0.033 0.000 2.650 231 F HA 0.289 4.821 4.527 0.008 0.000 0.320 231 F C 0.407 176.124 175.800 -0.139 0.000 1.091 231 F CA -1.251 56.735 58.000 -0.024 0.000 0.962 231 F CB 0.846 39.808 39.000 -0.064 0.000 1.363 231 F HN 0.531 nan 8.300 nan 0.000 0.482 232 N N -0.031 118.710 118.700 0.068 0.000 2.364 232 N HA 0.069 4.814 4.740 0.010 0.000 0.264 232 N C 0.534 175.909 175.510 -0.226 0.000 1.263 232 N CA -0.094 52.922 53.050 -0.057 0.000 0.959 232 N CB 0.163 38.638 38.487 -0.020 0.000 1.204 232 N HN 0.665 nan 8.380 nan 0.000 0.550 233 D N -0.844 119.452 120.400 -0.173 0.000 2.133 233 D HA -0.264 4.382 4.640 0.010 0.000 0.195 233 D C 0.308 176.430 176.300 -0.297 0.000 0.997 233 D CA 1.745 55.617 54.000 -0.214 0.000 0.840 233 D CB -0.690 40.055 40.800 -0.091 0.000 0.947 233 D HN 0.800 nan 8.370 nan 0.000 0.452 234 D N -0.707 119.594 120.400 -0.165 0.000 2.491 234 D HA -0.007 4.639 4.640 0.010 0.000 0.228 234 D C -0.021 176.349 176.300 0.117 0.000 1.183 234 D CA -0.870 53.134 54.000 0.006 0.000 0.827 234 D CB -0.925 39.908 40.800 0.055 0.000 0.989 234 D HN 0.154 nan 8.370 nan 0.000 0.494 235 F N 1.414 121.388 119.950 0.041 0.000 3.021 235 F HA -0.303 4.229 4.527 0.009 0.000 0.256 235 F C 1.752 177.600 175.800 0.080 0.000 0.976 235 F CA 0.867 58.891 58.000 0.040 0.000 0.861 235 F CB -2.400 36.514 39.000 -0.144 0.000 0.778 235 F HN 0.191 nan 8.300 nan 0.000 0.765 236 S N -1.589 114.212 115.700 0.168 0.000 2.486 236 S HA 0.250 4.726 4.470 0.010 0.000 0.220 236 S C 0.657 175.311 174.600 0.091 0.000 1.011 236 S CA -0.145 58.125 58.200 0.117 0.000 0.921 236 S CB 0.460 63.703 63.200 0.071 0.000 0.785 236 S HN 0.458 nan 8.310 nan 0.000 0.517 237 R N 0.515 121.077 120.500 0.103 0.000 2.628 237 R HA 0.836 5.182 4.340 0.010 0.000 0.288 237 R C -1.120 175.250 176.300 0.116 0.000 0.980 237 R CA -0.197 55.942 56.100 0.065 0.000 0.891 237 R CB 2.180 32.491 30.300 0.018 0.000 1.188 237 R HN 0.297 nan 8.270 nan 0.000 0.450 238 A N 1.730 124.570 122.820 0.034 0.000 2.527 238 A HA 0.767 5.093 4.320 0.010 0.000 0.293 238 A C -1.264 176.268 177.584 -0.086 0.000 1.117 238 A CA -0.727 51.274 52.037 -0.060 0.000 0.723 238 A CB 1.813 20.779 19.000 -0.057 0.000 1.313 238 A HN 0.355 nan 8.150 nan 0.000 0.411 239 V N 1.178 121.007 119.914 -0.142 0.000 2.540 239 V HA 0.471 4.597 4.120 0.010 0.000 0.302 239 V C -0.356 175.701 176.094 -0.061 0.000 1.035 239 V CA -0.454 61.798 62.300 -0.080 0.000 0.873 239 V CB 1.469 33.241 31.823 -0.085 0.000 0.992 239 V HN 0.782 nan 8.190 nan 0.000 0.428 240 L N 3.927 125.147 121.223 -0.006 0.000 2.264 240 L HA 0.575 4.920 4.340 0.010 0.000 0.289 240 L C -0.011 176.828 176.870 -0.051 0.000 1.044 240 L CA -0.059 54.756 54.840 -0.041 0.000 0.807 240 L CB 1.177 43.234 42.059 -0.003 0.000 1.192 240 L HN 0.760 nan 8.230 nan 0.000 0.425 241 E N 3.947 124.109 120.200 -0.064 0.000 2.176 241 E HA 0.603 4.959 4.350 0.010 0.000 0.267 241 E C -1.436 175.156 176.600 -0.013 0.000 0.893 241 E CA -0.648 55.729 56.400 -0.039 0.000 0.761 241 E CB 2.019 31.692 29.700 -0.045 0.000 1.133 241 E HN 0.664 nan 8.360 nan 0.000 0.409 242 A N 4.469 127.290 122.820 0.002 0.000 2.332 242 A HA 0.337 4.663 4.320 0.010 0.000 0.300 242 A C -0.744 176.854 177.584 0.023 0.000 1.153 242 A CA -0.682 51.380 52.037 0.041 0.000 0.764 242 A CB 1.037 20.070 19.000 0.055 0.000 1.174 242 A HN 0.686 nan 8.150 nan 0.000 0.467 243 E N 2.630 122.844 120.200 0.024 0.000 2.158 243 E HA 0.606 4.961 4.350 0.010 0.000 0.271 243 E C -1.474 175.106 176.600 -0.033 0.000 0.911 243 E CA -0.528 55.846 56.400 -0.043 0.000 0.767 243 E CB 1.562 31.194 29.700 -0.113 0.000 1.120 243 E HN 0.366 nan 8.360 nan 0.000 0.405 244 V N 3.888 123.806 119.914 0.007 0.000 2.555 244 V HA 0.330 4.456 4.120 0.010 0.000 0.302 244 V C -0.454 175.720 176.094 0.134 0.000 1.038 244 V CA -0.876 61.477 62.300 0.087 0.000 0.887 244 V CB 1.571 33.435 31.823 0.070 0.000 0.991 244 V HN 0.768 nan 8.190 nan 0.000 0.434 245 Q N 3.417 123.274 119.800 0.095 0.000 2.312 245 Q HA 0.763 5.109 4.340 0.010 0.000 0.263 245 Q C -0.431 175.572 176.000 0.006 0.000 0.995 245 Q CA -0.657 55.169 55.803 0.037 0.000 0.853 245 Q CB 2.264 30.978 28.738 -0.039 0.000 1.300 245 Q HN 0.838 nan 8.270 nan 0.000 0.448 246 M N -0.299 119.188 119.600 -0.188 0.000 2.811 246 M HA 0.789 5.274 4.480 0.010 0.000 0.303 246 M C -1.198 174.951 176.300 -0.252 0.000 1.227 246 M CA -0.571 54.549 55.300 -0.299 0.000 0.874 246 M CB 1.629 33.824 32.600 -0.675 0.000 1.681 246 M HN 0.518 nan 8.290 nan 0.000 0.500 247 C N 0.750 119.921 119.300 -0.214 0.000 2.782 247 C HA 0.964 5.430 4.460 0.010 0.000 0.328 247 C C 0.129 175.031 174.990 -0.147 0.000 1.145 247 C CA 0.713 59.637 59.018 -0.157 0.000 1.358 247 C CB 0.871 28.544 27.740 -0.111 0.000 1.841 247 C HN 1.451 nan 8.230 nan 0.000 0.477 248 G N 3.165 111.889 108.800 -0.125 0.000 2.331 248 G HA2 0.060 4.026 3.960 0.010 0.000 0.479 248 G HA3 0.060 4.026 3.960 0.010 0.000 0.479 248 G C -1.336 173.500 174.900 -0.106 0.000 1.262 248 G CA -0.777 44.264 45.100 -0.099 0.000 1.029 248 G HN 0.683 nan 8.290 nan 0.000 0.487 249 E N 0.426 120.578 120.200 -0.081 0.000 2.328 249 E HA 0.222 4.578 4.350 0.010 0.000 0.265 249 E C 0.398 176.919 176.600 -0.132 0.000 1.057 249 E CA -0.093 56.257 56.400 -0.084 0.000 0.916 249 E CB 1.168 30.839 29.700 -0.047 0.000 0.993 249 E HN 0.437 nan 8.360 nan 0.000 0.446 250 L N 4.602 125.734 121.223 -0.152 0.000 2.367 250 L HA 0.173 4.519 4.340 0.010 0.000 0.275 250 L C 0.477 177.225 176.870 -0.203 0.000 1.129 250 L CA 0.282 55.005 54.840 -0.195 0.000 0.839 250 L CB 0.330 42.285 42.059 -0.173 0.000 1.133 250 L HN 0.294 nan 8.230 nan 0.000 0.453 251 R N 2.454 122.773 120.500 -0.302 0.000 2.668 251 R HA 0.156 4.502 4.340 0.010 0.000 0.272 251 R C -0.384 175.615 176.300 -0.501 0.000 1.019 251 R CA -0.947 54.885 56.100 -0.447 0.000 0.894 251 R CB 1.500 31.336 30.300 -0.772 0.000 1.228 251 R HN 0.525 nan 8.270 nan 0.000 0.460 252 D N 0.837 121.031 120.400 -0.345 0.000 2.271 252 D HA -0.178 4.467 4.640 0.010 0.000 0.207 252 D C 1.338 177.572 176.300 -0.111 0.000 0.983 252 D CA 1.741 55.637 54.000 -0.173 0.000 0.878 252 D CB 0.022 40.789 40.800 -0.055 0.000 0.920 252 D HN 0.533 nan 8.370 nan 0.000 0.479 253 Y N -1.093 119.223 120.300 0.026 0.000 2.457 253 Y HA 0.345 4.901 4.550 0.010 0.000 0.263 253 Y C 0.398 176.310 175.900 0.020 0.000 1.164 253 Y CA -0.622 57.493 58.100 0.025 0.000 1.274 253 Y CB -0.827 37.649 38.460 0.026 0.000 1.097 253 Y HN -0.204 nan 8.280 nan 0.000 0.523 254 L N 3.155 124.348 121.223 -0.049 0.000 2.410 254 L HA 0.318 4.664 4.340 0.010 0.000 0.273 254 L C 0.186 177.052 176.870 -0.006 0.000 1.152 254 L CA 0.107 54.983 54.840 0.061 0.000 0.855 254 L CB 0.475 42.566 42.059 0.054 0.000 1.129 254 L HN 0.204 nan 8.230 nan 0.000 0.463 255 R N 2.477 122.859 120.500 -0.198 0.000 2.740 255 R HA 0.717 5.063 4.340 0.010 0.000 0.273 255 R C -1.474 174.393 176.300 -0.722 0.000 0.998 255 R CA -0.776 55.060 56.100 -0.440 0.000 0.900 255 R CB 2.518 32.600 30.300 -0.363 0.000 1.223 255 R HN 0.279 nan 8.270 nan 0.000 0.466 256 V N 0.905 120.507 119.914 -0.520 0.000 2.709 256 V HA 0.541 4.667 4.120 0.010 0.000 0.308 256 V C -0.415 175.612 176.094 -0.112 0.000 1.062 256 V CA -0.643 61.439 62.300 -0.363 0.000 0.901 256 V CB 2.379 33.922 31.823 -0.466 0.000 1.003 256 V HN 0.752 nan 8.190 nan 0.000 0.425 257 T N 3.420 117.991 114.554 0.028 0.000 2.848 257 T HA 0.643 4.999 4.350 0.010 0.000 0.285 257 T C -0.765 173.941 174.700 0.011 0.000 0.995 257 T CA -0.443 61.694 62.100 0.061 0.000 0.970 257 T CB 1.841 70.794 68.868 0.141 0.000 0.976 257 T HN 0.371 nan 8.240 nan 0.000 0.441 258 V N 3.450 123.359 119.914 -0.009 0.000 2.448 258 V HA 0.705 4.830 4.120 0.010 0.000 0.295 258 V C -0.278 175.815 176.094 -0.002 0.000 1.025 258 V CA -0.818 61.478 62.300 -0.007 0.000 0.859 258 V CB 1.740 33.552 31.823 -0.019 0.000 0.988 258 V HN 1.059 nan 8.190 nan 0.000 0.431 259 S N 5.147 120.869 115.700 0.038 0.000 2.538 259 S HA 0.777 5.253 4.470 0.010 0.000 0.288 259 S C -1.069 173.533 174.600 0.003 0.000 1.108 259 S CA -0.699 57.497 58.200 -0.006 0.000 0.971 259 S CB 2.101 65.364 63.200 0.105 0.000 1.041 259 S HN 0.458 nan 8.310 nan 0.000 0.483 260 L N 3.087 124.195 121.223 -0.192 0.000 2.277 260 L HA 0.620 4.966 4.340 0.010 0.000 0.284 260 L C -1.663 175.021 176.870 -0.310 0.000 1.028 260 L CA -0.362 54.416 54.840 -0.103 0.000 0.835 260 L CB 0.024 42.044 42.059 -0.066 0.000 1.215 260 L HN 0.812 nan 8.230 nan 0.000 0.425 261 W N 3.614 125.004 121.300 0.151 0.000 2.496 261 W HA 0.530 5.196 4.660 0.010 0.000 0.327 261 W C 0.203 176.852 176.519 0.218 0.000 1.086 261 W CA -0.471 56.958 57.345 0.141 0.000 1.222 261 W CB 0.898 30.397 29.460 0.065 0.000 1.304 261 W HN 0.385 nan 8.180 nan 0.000 0.547 262 Q N 2.870 122.864 119.800 0.324 0.000 2.788 262 Q HA 0.431 4.776 4.340 0.010 0.000 0.261 262 Q C 0.611 176.691 176.000 0.134 0.000 1.029 262 Q CA 0.508 56.395 55.803 0.139 0.000 0.848 262 Q CB 0.194 28.958 28.738 0.044 0.000 1.185 262 Q HN 0.835 nan 8.270 nan 0.000 0.482 263 G N 2.430 111.324 108.800 0.157 0.000 2.527 263 G HA2 -0.329 3.636 3.960 0.010 0.000 0.262 263 G HA3 -0.329 3.636 3.960 0.010 0.000 0.262 263 G C 0.269 175.291 174.900 0.203 0.000 1.153 263 G CA 0.173 45.345 45.100 0.120 0.000 0.954 263 G HN 0.585 nan 8.290 nan 0.000 0.552 264 E N 0.799 121.098 120.200 0.166 0.000 2.465 264 E HA 0.252 4.608 4.350 0.010 0.000 0.191 264 E C 0.185 177.008 176.600 0.372 0.000 1.053 264 E CA 0.467 56.979 56.400 0.186 0.000 0.869 264 E CB 0.228 29.977 29.700 0.082 0.000 0.977 264 E HN 0.309 nan 8.360 nan 0.000 0.483 265 T N 1.178 115.941 114.554 0.350 0.000 2.743 265 T HA 0.127 4.482 4.350 0.010 0.000 0.292 265 T C -0.356 174.404 174.700 0.100 0.000 0.972 265 T CA -0.366 61.869 62.100 0.225 0.000 0.967 265 T CB 1.286 70.218 68.868 0.106 0.000 0.926 265 T HN 0.024 nan 8.240 nan 0.000 0.459 266 Q N 2.889 122.528 119.800 -0.267 0.000 2.307 266 Q HA 0.231 4.577 4.340 0.010 0.000 0.259 266 Q C 1.105 176.846 176.000 -0.432 0.000 0.998 266 Q CA -0.290 54.951 55.803 -0.936 0.000 0.923 266 Q CB 0.880 28.892 28.738 -1.211 0.000 1.196 266 Q HN 0.706 nan 8.270 nan 0.000 0.416 267 V N 1.607 121.319 119.914 -0.336 0.000 3.174 267 V HA 0.531 4.657 4.120 0.010 0.000 0.254 267 V C 0.049 176.033 176.094 -0.185 0.000 1.120 267 V CA 1.102 63.306 62.300 -0.160 0.000 1.114 267 V CB 0.368 32.186 31.823 -0.009 0.000 0.756 267 V HN 0.651 nan 8.190 nan 0.000 0.467 268 A N -0.564 122.105 122.820 -0.252 0.000 2.583 268 A HA 0.717 5.043 4.320 0.010 0.000 0.298 268 A C -0.692 176.776 177.584 -0.194 0.000 1.055 268 A CA 0.246 52.172 52.037 -0.185 0.000 0.714 268 A CB 1.234 20.157 19.000 -0.129 0.000 1.277 268 A HN 0.681 nan 8.150 nan 0.000 0.406 269 S N 0.060 115.677 115.700 -0.139 0.000 2.541 269 S HA 0.858 5.334 4.470 0.010 0.000 0.280 269 S C -0.240 174.320 174.600 -0.067 0.000 1.112 269 S CA 0.208 58.346 58.200 -0.104 0.000 0.925 269 S CB 1.688 64.825 63.200 -0.104 0.000 1.067 269 S HN 2.172 nan 8.310 nan 0.000 0.479 270 G N 1.630 110.401 108.800 -0.049 0.000 2.638 270 G HA2 0.681 4.647 3.960 0.010 0.000 0.302 270 G HA3 0.681 4.647 3.960 0.010 0.000 0.302 270 G C -1.386 173.496 174.900 -0.030 0.000 1.365 270 G CA -0.497 44.577 45.100 -0.042 0.000 0.987 270 G HN 0.721 nan 8.290 nan 0.000 0.495 271 T N -0.395 114.140 114.554 -0.031 0.000 2.993 271 T HA 0.828 5.184 4.350 0.010 0.000 0.312 271 T C -0.460 174.208 174.700 -0.054 0.000 1.115 271 T CA 0.078 62.166 62.100 -0.020 0.000 1.027 271 T CB 1.772 70.655 68.868 0.025 0.000 1.116 271 T HN 1.758 nan 8.240 nan 0.000 0.464 272 A N 3.337 126.096 122.820 -0.101 0.000 2.567 272 A HA 0.869 5.195 4.320 0.010 0.000 0.291 272 A C -3.277 174.172 177.584 -0.225 0.000 1.048 272 A CA -1.354 50.604 52.037 -0.132 0.000 0.661 272 A CB 0.883 19.801 19.000 -0.137 0.000 1.288 272 A HN 0.527 nan 8.150 nan 0.000 0.424 273 P HA 0.613 nan 4.420 nan 0.000 0.278 273 P C -0.515 176.652 177.300 -0.221 0.000 1.258 273 P CA -0.331 62.666 63.100 -0.170 0.000 0.811 273 P CB 0.341 32.006 31.700 -0.058 0.000 1.063 274 F N 0.127 120.036 119.950 -0.068 0.000 2.435 274 F HA 0.476 5.009 4.527 0.009 0.000 0.316 274 F C 1.446 177.224 175.800 -0.037 0.000 1.220 274 F CA 1.428 59.394 58.000 -0.057 0.000 1.241 274 F CB 0.195 39.154 39.000 -0.069 0.000 1.234 274 F HN 0.596 nan 8.300 nan 0.000 0.569 275 G N 0.988 109.960 108.800 0.287 0.000 3.367 275 G HA2 0.323 4.288 3.960 0.010 0.000 0.686 275 G HA3 0.323 4.288 3.960 0.010 0.000 0.686 275 G C -0.576 174.388 174.900 0.107 0.000 1.146 275 G CA -0.775 44.416 45.100 0.151 0.000 0.913 275 G HN 1.049 nan 8.290 nan 0.000 0.554 276 G N 0.948 109.820 108.800 0.119 0.000 2.531 276 G HA2 0.798 4.764 3.960 0.010 0.000 0.313 276 G HA3 0.798 4.764 3.960 0.010 0.000 0.313 276 G C 0.227 175.163 174.900 0.060 0.000 1.238 276 G CA -0.032 45.128 45.100 0.100 0.000 0.994 276 G HN 0.995 nan 8.290 nan 0.000 0.493 277 E N -0.421 119.811 120.200 0.054 0.000 2.349 277 E HA 0.214 4.570 4.350 0.010 0.000 0.262 277 E C -0.452 176.161 176.600 0.022 0.000 1.088 277 E CA -0.800 55.617 56.400 0.030 0.000 0.899 277 E CB 1.192 30.906 29.700 0.024 0.000 1.044 277 E HN 0.194 nan 8.360 nan 0.000 0.420 278 I N 1.810 122.382 120.570 0.003 0.000 2.662 278 I HA -0.138 4.037 4.170 0.010 0.000 0.285 278 I C 1.348 177.462 176.117 -0.006 0.000 1.161 278 I CA 0.339 61.632 61.300 -0.012 0.000 1.415 278 I CB 0.061 38.052 38.000 -0.015 0.000 1.385 278 I HN 0.577 nan 8.210 nan 0.000 0.552 279 I N 2.919 123.476 120.570 -0.022 0.000 3.790 279 I HA 0.374 4.550 4.170 0.010 0.000 0.305 279 I C 0.040 176.145 176.117 -0.021 0.000 1.253 279 I CA 0.682 61.978 61.300 -0.007 0.000 1.355 279 I CB 0.026 38.042 38.000 0.028 0.000 1.137 279 I HN 0.635 nan 8.210 nan 0.000 0.435 280 D N -0.911 119.463 120.400 -0.043 0.000 2.851 280 D HA 0.145 4.791 4.640 0.010 0.000 0.339 280 D C 0.365 176.640 176.300 -0.042 0.000 1.347 280 D CA -0.371 53.606 54.000 -0.037 0.000 0.888 280 D CB 0.045 40.823 40.800 -0.036 0.000 1.431 280 D HN -0.038 nan 8.370 nan 0.000 0.509 281 E N -0.879 119.300 120.200 -0.034 0.000 2.339 281 E HA -0.161 4.194 4.350 0.010 0.000 0.201 281 E C 1.344 177.921 176.600 -0.040 0.000 1.015 281 E CA 1.260 57.641 56.400 -0.032 0.000 0.841 281 E CB -0.087 29.599 29.700 -0.024 0.000 0.754 281 E HN 0.256 nan 8.360 nan 0.000 0.508 282 R N -0.837 119.630 120.500 -0.056 0.000 2.307 282 R HA 0.346 4.692 4.340 0.010 0.000 0.200 282 R C 1.029 177.281 176.300 -0.080 0.000 0.893 282 R CA 0.768 56.829 56.100 -0.065 0.000 1.042 282 R CB 1.238 31.494 30.300 -0.074 0.000 1.059 282 R HN 0.192 nan 8.270 nan 0.000 0.530 283 G N -0.371 108.374 108.800 -0.092 0.000 2.288 283 G HA2 0.157 4.123 3.960 0.010 0.000 0.227 283 G HA3 0.157 4.123 3.960 0.010 0.000 0.227 283 G C -0.756 174.067 174.900 -0.128 0.000 1.339 283 G CA -0.515 44.527 45.100 -0.097 0.000 1.057 283 G HN 0.384 nan 8.290 nan 0.000 0.470 284 G N -1.815 106.904 108.800 -0.135 0.000 3.222 284 G HA2 0.612 4.577 3.960 0.010 0.000 0.263 284 G HA3 0.612 4.577 3.960 0.010 0.000 0.263 284 G C -1.778 172.998 174.900 -0.207 0.000 1.312 284 G CA -0.734 44.290 45.100 -0.127 0.000 0.934 284 G HN 0.673 nan 8.290 nan 0.000 0.577 285 Y N 0.996 121.300 120.300 0.007 0.000 2.491 285 Y HA 0.465 5.020 4.550 0.009 0.000 0.334 285 Y C 1.390 177.301 175.900 0.018 0.000 0.969 285 Y CA -0.119 57.985 58.100 0.006 0.000 1.241 285 Y CB 1.792 40.258 38.460 0.009 0.000 1.105 285 Y HN 0.562 nan 8.280 nan 0.000 0.503 286 A N 1.621 124.506 122.820 0.108 0.000 1.972 286 A HA -0.193 4.132 4.320 0.010 0.000 0.219 286 A C 1.658 179.269 177.584 0.044 0.000 1.169 286 A CA 1.807 53.885 52.037 0.068 0.000 0.635 286 A CB -0.291 18.711 19.000 0.004 0.000 0.810 286 A HN 0.808 nan 8.150 nan 0.000 0.446 287 D N -0.198 120.212 120.400 0.015 0.000 2.324 287 D HA 0.021 4.667 4.640 0.010 0.000 0.235 287 D C 0.551 176.780 176.300 -0.120 0.000 1.095 287 D CA 0.018 53.915 54.000 -0.171 0.000 0.871 287 D CB -0.265 40.467 40.800 -0.114 0.000 0.906 287 D HN 0.690 nan 8.370 nan 0.000 0.522 288 R N -1.844 118.778 120.500 0.202 0.000 2.764 288 R HA 0.749 5.094 4.340 0.010 0.000 0.270 288 R C -1.718 174.834 176.300 0.419 0.000 1.014 288 R CA -1.179 55.137 56.100 0.360 0.000 0.904 288 R CB 1.995 32.349 30.300 0.090 0.000 1.236 288 R HN -0.078 nan 8.270 nan 0.000 0.466 289 V N 0.402 120.445 119.914 0.216 0.000 2.888 289 V HA 0.546 4.671 4.120 0.010 0.000 0.309 289 V C -1.368 174.697 176.094 -0.048 0.000 1.114 289 V CA -0.338 61.941 62.300 -0.035 0.000 0.940 289 V CB 2.740 34.332 31.823 -0.384 0.000 1.021 289 V HN 0.916 nan 8.190 nan 0.000 0.426 290 T N 7.503 122.029 114.554 -0.047 0.000 2.815 290 T HA 0.557 4.913 4.350 0.010 0.000 0.289 290 T C -1.026 173.646 174.700 -0.048 0.000 1.000 290 T CA -0.394 61.684 62.100 -0.037 0.000 0.958 290 T CB 1.002 69.859 68.868 -0.017 0.000 0.944 290 T HN 0.304 nan 8.240 nan 0.000 0.442 291 L N 3.588 124.783 121.223 -0.047 0.000 2.296 291 L HA 0.535 4.881 4.340 0.010 0.000 0.286 291 L C 0.288 177.137 176.870 -0.036 0.000 1.023 291 L CA -0.520 54.291 54.840 -0.048 0.000 0.812 291 L CB 1.335 43.362 42.059 -0.053 0.000 1.223 291 L HN 0.557 nan 8.230 nan 0.000 0.421 292 R N 3.698 124.175 120.500 -0.038 0.000 2.272 292 R HA 0.512 4.858 4.340 0.010 0.000 0.323 292 R C -1.038 175.239 176.300 -0.038 0.000 1.002 292 R CA -0.804 55.274 56.100 -0.037 0.000 0.900 292 R CB 1.125 31.403 30.300 -0.036 0.000 1.151 292 R HN 0.257 nan 8.270 nan 0.000 0.507 293 L N 3.085 124.286 121.223 -0.036 0.000 2.292 293 L HA 0.289 4.635 4.340 0.010 0.000 0.284 293 L C 0.140 176.985 176.870 -0.041 0.000 1.065 293 L CA -0.367 54.449 54.840 -0.040 0.000 0.806 293 L CB 0.912 42.948 42.059 -0.038 0.000 1.175 293 L HN 0.487 nan 8.230 nan 0.000 0.431 294 N N 3.083 121.751 118.700 -0.052 0.000 2.444 294 N HA 0.360 5.106 4.740 0.010 0.000 0.271 294 N C -0.969 174.491 175.510 -0.083 0.000 1.069 294 N CA -0.323 52.692 53.050 -0.058 0.000 0.965 294 N CB 2.327 40.785 38.487 -0.049 0.000 1.092 294 N HN 0.210 nan 8.380 nan 0.000 0.476 295 V N 2.418 122.268 119.914 -0.106 0.000 2.407 295 V HA 0.183 4.308 4.120 0.010 0.000 0.291 295 V C 0.034 176.042 176.094 -0.142 0.000 1.018 295 V CA -0.835 61.357 62.300 -0.179 0.000 0.842 295 V CB 1.782 33.388 31.823 -0.362 0.000 0.996 295 V HN 0.524 nan 8.190 nan 0.000 0.426 296 E N 3.059 123.197 120.200 -0.102 0.000 2.301 296 E HA 0.285 4.641 4.350 0.010 0.000 0.275 296 E C 0.042 176.612 176.600 -0.050 0.000 1.030 296 E CA -0.486 55.881 56.400 -0.055 0.000 0.852 296 E CB 0.695 30.373 29.700 -0.036 0.000 1.060 296 E HN 0.777 nan 8.360 nan 0.000 0.401 297 N N 1.179 119.873 118.700 -0.010 0.000 2.689 297 N HA -0.159 4.587 4.740 0.010 0.000 0.263 297 N C -2.522 172.984 175.510 -0.008 0.000 0.987 297 N CA -0.120 52.938 53.050 0.013 0.000 0.782 297 N CB -1.120 37.378 38.487 0.017 0.000 0.903 297 N HN 0.316 nan 8.380 nan 0.000 0.547 298 P HA 0.088 nan 4.420 nan 0.000 0.274 298 P C -0.424 176.898 177.300 0.035 0.000 1.246 298 P CA 0.004 63.016 63.100 -0.146 0.000 0.795 298 P CB 0.753 32.126 31.700 -0.545 0.000 1.006 299 K N 1.530 122.030 120.400 0.167 0.000 2.267 299 K HA 0.320 4.646 4.320 0.010 0.000 0.282 299 K C -0.076 176.680 176.600 0.261 0.000 1.078 299 K CA -0.442 55.947 56.287 0.169 0.000 0.903 299 K CB 0.056 32.618 32.500 0.102 0.000 1.111 299 K HN 0.388 nan 8.250 nan 0.000 0.475 300 L N 2.365 123.659 121.223 0.118 0.000 2.439 300 L HA 0.244 4.589 4.340 0.010 0.000 0.269 300 L C 0.013 176.922 176.870 0.065 0.000 1.179 300 L CA -0.561 54.335 54.840 0.094 0.000 0.828 300 L CB 0.254 42.215 42.059 -0.164 0.000 1.106 300 L HN 0.564 nan 8.230 nan 0.000 0.467 301 W N 2.967 124.258 121.300 -0.015 0.000 2.496 301 W HA 0.559 5.224 4.660 0.008 0.000 0.327 301 W C -0.095 176.339 176.519 -0.140 0.000 1.086 301 W CA 0.011 57.338 57.345 -0.030 0.000 1.222 301 W CB 1.480 30.980 29.460 0.066 0.000 1.304 301 W HN 0.648 nan 8.180 nan 0.000 0.547 302 S N 2.778 117.805 115.700 -1.122 0.000 2.643 302 S HA 0.645 5.120 4.470 0.010 0.000 0.270 302 S C 0.045 173.802 174.600 -1.404 0.000 1.166 302 S CA -0.340 57.292 58.200 -0.947 0.000 0.815 302 S CB 1.089 63.965 63.200 -0.541 0.000 1.139 302 S HN 0.998 nan 8.310 nan 0.000 0.472 303 A N 0.275 122.499 122.820 -0.994 0.000 2.066 303 A HA 0.123 4.449 4.320 0.010 0.000 0.218 303 A C 1.737 178.989 177.584 -0.553 0.000 1.157 303 A CA 1.378 52.825 52.037 -0.984 0.000 0.670 303 A CB -0.890 17.325 19.000 -1.308 0.000 0.804 303 A HN 0.866 nan 8.150 nan 0.000 0.453 304 E N -0.917 119.089 120.200 -0.324 0.000 2.158 304 E HA 0.112 4.468 4.350 0.010 0.000 0.191 304 E C -0.362 176.107 176.600 -0.219 0.000 0.982 304 E CA 0.657 56.953 56.400 -0.175 0.000 0.823 304 E CB 0.131 29.878 29.700 0.079 0.000 0.766 304 E HN 0.579 nan 8.360 nan 0.000 0.468 305 I N 0.999 121.381 120.570 -0.314 0.000 2.606 305 I HA 0.134 4.309 4.170 0.010 0.000 0.275 305 I C -2.699 173.160 176.117 -0.429 0.000 1.220 305 I CA -1.444 59.691 61.300 -0.275 0.000 1.098 305 I CB 2.156 40.048 38.000 -0.180 0.000 1.321 305 I HN -0.217 nan 8.210 nan 0.000 0.468 306 P HA 0.197 nan 4.420 nan 0.000 0.225 306 P C -0.763 176.512 177.300 -0.043 0.000 1.830 306 P CA -0.283 62.513 63.100 -0.507 0.000 1.051 306 P CB 0.014 31.532 31.700 -0.303 0.000 1.929 307 N N 2.584 121.294 118.700 0.016 0.000 2.497 307 N HA 0.270 5.016 4.740 0.010 0.000 0.271 307 N C 0.165 175.887 175.510 0.353 0.000 1.142 307 N CA 0.145 53.272 53.050 0.129 0.000 0.965 307 N CB 0.920 39.454 38.487 0.078 0.000 1.077 307 N HN 0.321 nan 8.380 nan 0.000 0.462 308 L N 1.666 122.992 121.223 0.171 0.000 2.303 308 L HA 0.565 4.911 4.340 0.010 0.000 0.256 308 L C -1.081 175.814 176.870 0.043 0.000 1.034 308 L CA -0.868 54.106 54.840 0.222 0.000 0.832 308 L CB 1.462 43.630 42.059 0.182 0.000 1.403 308 L HN 0.420 nan 8.230 nan 0.000 0.419 309 Y N -0.569 119.855 120.300 0.207 0.000 2.588 309 Y HA 0.491 5.047 4.550 0.010 0.000 0.343 309 Y C -0.555 175.452 175.900 0.179 0.000 1.065 309 Y CA -0.783 57.444 58.100 0.213 0.000 1.038 309 Y CB 2.217 40.850 38.460 0.290 0.000 1.297 309 Y HN 0.343 nan 8.280 nan 0.000 0.467 310 R N 1.458 122.189 120.500 0.386 0.000 2.295 310 R HA 0.810 5.156 4.340 0.010 0.000 0.324 310 R C -1.199 175.289 176.300 0.314 0.000 0.968 310 R CA -0.593 55.675 56.100 0.281 0.000 0.837 310 R CB 0.862 31.269 30.300 0.179 0.000 1.133 310 R HN 0.771 nan 8.270 nan 0.000 0.450 311 A N 4.043 126.991 122.820 0.214 0.000 2.274 311 A HA 0.487 4.813 4.320 0.010 0.000 0.309 311 A C -0.770 176.894 177.584 0.133 0.000 1.226 311 A CA -0.535 51.611 52.037 0.181 0.000 0.853 311 A CB 1.232 20.320 19.000 0.145 0.000 1.146 311 A HN 0.490 nan 8.150 nan 0.000 0.518 312 V N 3.648 123.644 119.914 0.136 0.000 2.448 312 V HA 0.354 4.479 4.120 0.010 0.000 0.295 312 V C -0.359 175.723 176.094 -0.020 0.000 1.025 312 V CA -0.464 61.857 62.300 0.034 0.000 0.859 312 V CB 1.729 33.581 31.823 0.048 0.000 0.988 312 V HN 0.619 nan 8.190 nan 0.000 0.431 313 V N 5.137 124.970 119.914 -0.135 0.000 2.311 313 V HA 0.412 4.538 4.120 0.010 0.000 0.275 313 V C -0.077 175.938 176.094 -0.131 0.000 1.022 313 V CA -0.545 61.639 62.300 -0.192 0.000 0.830 313 V CB 1.159 32.703 31.823 -0.464 0.000 1.012 313 V HN 0.928 nan 8.190 nan 0.000 0.452 314 E N 4.107 124.286 120.200 -0.035 0.000 2.158 314 E HA 0.486 4.842 4.350 0.010 0.000 0.271 314 E C -0.965 175.679 176.600 0.074 0.000 0.911 314 E CA -0.856 55.574 56.400 0.051 0.000 0.767 314 E CB 2.493 32.278 29.700 0.142 0.000 1.120 314 E HN 0.466 nan 8.360 nan 0.000 0.405 315 L N 4.949 126.192 121.223 0.033 0.000 2.255 315 L HA 0.364 4.709 4.340 0.010 0.000 0.289 315 L C -1.143 175.764 176.870 0.063 0.000 1.046 315 L CA 0.036 54.869 54.840 -0.010 0.000 0.816 315 L CB -0.266 41.792 42.059 -0.002 0.000 1.197 315 L HN 0.635 nan 8.230 nan 0.000 0.427 316 H N 0.357 119.454 119.070 0.046 0.000 2.990 316 H HA 0.739 5.300 4.556 0.010 0.000 0.336 316 H C -0.429 174.958 175.328 0.098 0.000 1.306 316 H CA -0.514 55.566 56.048 0.054 0.000 1.118 316 H CB 0.481 30.257 29.762 0.022 0.000 1.856 316 H HN 0.473 nan 8.280 nan 0.000 0.538 317 T N -1.993 112.722 114.554 0.269 0.000 2.816 317 T HA 0.459 4.815 4.350 0.010 0.000 0.282 317 T C 1.476 176.366 174.700 0.317 0.000 0.993 317 T CA -0.298 61.953 62.100 0.252 0.000 0.994 317 T CB 1.108 70.003 68.868 0.046 0.000 1.025 317 T HN 0.935 nan 8.240 nan 0.000 0.529 318 A N 0.246 123.208 122.820 0.237 0.000 2.070 318 A HA -0.025 4.301 4.320 0.010 0.000 0.220 318 A C 1.830 179.484 177.584 0.117 0.000 1.159 318 A CA 1.177 53.327 52.037 0.189 0.000 0.656 318 A CB -0.731 18.366 19.000 0.162 0.000 0.800 318 A HN 0.904 nan 8.150 nan 0.000 0.453 319 D N -1.104 119.338 120.400 0.071 0.000 2.349 319 D HA 0.199 4.845 4.640 0.010 0.000 0.224 319 D C 1.367 177.672 176.300 0.009 0.000 1.029 319 D CA 1.013 55.025 54.000 0.020 0.000 0.879 319 D CB 0.128 40.917 40.800 -0.018 0.000 0.906 319 D HN 0.601 nan 8.370 nan 0.000 0.528 320 G N 1.049 109.866 108.800 0.028 0.000 2.176 320 G HA2 -0.259 3.707 3.960 0.010 0.000 0.253 320 G HA3 -0.259 3.707 3.960 0.010 0.000 0.253 320 G C 0.570 175.452 174.900 -0.030 0.000 0.979 320 G CA 0.174 45.241 45.100 -0.055 0.000 0.641 320 G HN 0.282 nan 8.290 nan 0.000 0.530 321 T N 1.716 116.284 114.554 0.024 0.000 2.834 321 T HA 0.456 4.812 4.350 0.010 0.000 0.298 321 T C 0.446 175.197 174.700 0.085 0.000 0.966 321 T CA 0.024 62.139 62.100 0.024 0.000 1.141 321 T CB 1.698 70.563 68.868 -0.005 0.000 0.905 321 T HN 0.511 nan 8.240 nan 0.000 0.535 322 L N 4.062 125.322 121.223 0.061 0.000 2.418 322 L HA 0.420 4.766 4.340 0.010 0.000 0.265 322 L C 0.702 177.622 176.870 0.084 0.000 1.143 322 L CA 0.336 55.234 54.840 0.098 0.000 0.809 322 L CB 0.438 42.529 42.059 0.052 0.000 1.124 322 L HN 0.708 nan 8.230 nan 0.000 0.456 323 I N 0.969 121.593 120.570 0.090 0.000 3.565 323 I HA 0.212 4.387 4.170 0.010 0.000 0.287 323 I C -0.143 175.994 176.117 0.032 0.000 1.193 323 I CA 0.208 61.541 61.300 0.055 0.000 1.402 323 I CB 0.350 38.381 38.000 0.052 0.000 1.284 323 I HN 0.803 nan 8.210 nan 0.000 0.454 324 E N 0.157 120.376 120.200 0.032 0.000 2.393 324 E HA 0.641 4.997 4.350 0.010 0.000 0.278 324 E C -1.593 175.016 176.600 0.015 0.000 1.171 324 E CA -1.043 55.371 56.400 0.024 0.000 0.904 324 E CB 1.133 30.820 29.700 -0.021 0.000 1.309 324 E HN -0.054 nan 8.360 nan 0.000 0.423 325 A N 0.896 123.742 122.820 0.043 0.000 2.498 325 A HA 0.752 5.078 4.320 0.010 0.000 0.298 325 A C -1.088 176.538 177.584 0.069 0.000 1.075 325 A CA -0.699 51.340 52.037 0.002 0.000 0.714 325 A CB 1.833 20.807 19.000 -0.042 0.000 1.299 325 A HN 0.502 nan 8.150 nan 0.000 0.407 326 E N -0.531 119.630 120.200 -0.065 0.000 2.378 326 E HA 0.818 5.174 4.350 0.010 0.000 0.265 326 E C -0.620 175.950 176.600 -0.050 0.000 0.932 326 E CA -0.635 55.787 56.400 0.037 0.000 0.795 326 E CB 2.475 32.115 29.700 -0.099 0.000 1.296 326 E HN 1.181 nan 8.360 nan 0.000 0.438 327 A N -0.030 122.894 122.820 0.173 0.000 2.610 327 A HA 0.737 5.062 4.320 0.010 0.000 0.291 327 A C -1.119 176.637 177.584 0.287 0.000 1.086 327 A CA -0.421 51.670 52.037 0.091 0.000 0.677 327 A CB 1.000 19.893 19.000 -0.178 0.000 1.278 327 A HN 0.846 nan 8.150 nan 0.000 0.414 328 C N -0.217 119.213 119.300 0.218 0.000 3.311 328 C HA 0.821 5.287 4.460 0.010 0.000 0.325 328 C C -1.597 173.470 174.990 0.128 0.000 1.352 328 C CA -0.853 58.282 59.018 0.195 0.000 1.308 328 C CB 1.203 29.083 27.740 0.233 0.000 1.619 328 C HN 0.839 nan 8.230 nan 0.000 0.469 329 D N 1.133 121.584 120.400 0.084 0.000 2.225 329 D HA 0.581 5.227 4.640 0.010 0.000 0.249 329 D C -0.390 175.940 176.300 0.050 0.000 1.052 329 D CA 0.043 54.099 54.000 0.094 0.000 0.909 329 D CB 2.041 42.901 40.800 0.099 0.000 1.186 329 D HN 0.552 nan 8.370 nan 0.000 0.431 330 V N 0.384 120.359 119.914 0.103 0.000 2.628 330 V HA 0.675 4.800 4.120 0.010 0.000 0.306 330 V C 0.501 176.642 176.094 0.078 0.000 1.045 330 V CA -0.800 61.512 62.300 0.019 0.000 0.905 330 V CB 2.096 33.916 31.823 -0.006 0.000 0.997 330 V HN 0.664 nan 8.190 nan 0.000 0.436 331 G N 2.638 111.366 108.800 -0.120 0.000 2.605 331 G HA2 0.590 4.556 3.960 0.010 0.000 0.304 331 G HA3 0.590 4.556 3.960 0.010 0.000 0.304 331 G C -0.989 173.947 174.900 0.060 0.000 1.333 331 G CA -0.337 44.760 45.100 -0.005 0.000 0.973 331 G HN 0.436 nan 8.290 nan 0.000 0.507 332 F N 3.907 124.064 119.950 0.345 0.000 2.509 332 F HA 0.383 4.915 4.527 0.009 0.000 0.350 332 F C 1.219 177.273 175.800 0.422 0.000 1.220 332 F CA -0.436 57.820 58.000 0.426 0.000 1.151 332 F CB 0.421 39.697 39.000 0.460 0.000 1.379 332 F HN 0.428 nan 8.300 nan 0.000 0.610 333 R N 2.533 123.339 120.500 0.511 0.000 2.808 333 R HA 0.594 4.940 4.340 0.010 0.000 0.272 333 R C -1.606 174.887 176.300 0.323 0.000 0.995 333 R CA -0.754 55.516 56.100 0.283 0.000 0.917 333 R CB 2.347 32.858 30.300 0.352 0.000 1.217 333 R HN 0.508 nan 8.270 nan 0.000 0.471 334 E N 2.349 122.633 120.200 0.139 0.000 2.260 334 E HA 0.336 4.692 4.350 0.010 0.000 0.266 334 E C -1.632 175.053 176.600 0.141 0.000 0.887 334 E CA -0.749 55.804 56.400 0.254 0.000 0.777 334 E CB 2.389 32.341 29.700 0.419 0.000 1.205 334 E HN 0.396 nan 8.360 nan 0.000 0.414 335 V N 5.446 125.438 119.914 0.129 0.000 2.417 335 V HA 0.605 4.731 4.120 0.010 0.000 0.291 335 V C -0.205 175.933 176.094 0.074 0.000 1.024 335 V CA -0.532 61.811 62.300 0.070 0.000 0.861 335 V CB 1.230 33.071 31.823 0.029 0.000 0.985 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.593 125.131 120.500 0.063 0.000 2.579 336 R HA 0.550 4.895 4.340 0.010 0.000 0.260 336 R C -2.051 174.276 176.300 0.046 0.000 1.103 336 R CA -0.800 55.338 56.100 0.063 0.000 0.942 336 R CB 1.305 31.657 30.300 0.087 0.000 1.251 336 R HN 0.553 nan 8.270 nan 0.000 0.450 337 I N 2.687 123.280 120.570 0.040 0.000 2.352 337 I HA 0.237 4.413 4.170 0.010 0.000 0.290 337 I C -0.158 175.980 176.117 0.035 0.000 1.036 337 I CA -0.016 61.302 61.300 0.030 0.000 1.336 337 I CB 1.358 39.376 38.000 0.029 0.000 1.407 337 I HN 0.686 nan 8.210 nan 0.000 0.497 338 E N 5.929 126.148 120.200 0.031 0.000 2.275 338 E HA 0.227 4.583 4.350 0.010 0.000 0.270 338 E C -0.194 176.420 176.600 0.023 0.000 0.882 338 E CA -0.715 55.705 56.400 0.032 0.000 0.758 338 E CB 1.106 30.831 29.700 0.040 0.000 1.195 338 E HN 0.514 nan 8.360 nan 0.000 0.419 339 N N 3.318 122.031 118.700 0.022 0.000 2.707 339 N HA -0.261 4.485 4.740 0.010 0.000 0.253 339 N C 0.537 176.053 175.510 0.011 0.000 0.998 339 N CA 1.998 55.057 53.050 0.016 0.000 0.751 339 N CB -1.097 37.398 38.487 0.014 0.000 0.920 339 N HN 0.960 nan 8.380 nan 0.000 0.539 340 G N -2.081 106.725 108.800 0.011 0.000 2.179 340 G HA2 -0.293 3.673 3.960 0.010 0.000 0.260 340 G HA3 -0.293 3.673 3.960 0.010 0.000 0.260 340 G C -0.036 174.862 174.900 -0.004 0.000 0.977 340 G CA 0.570 45.673 45.100 0.005 0.000 0.641 340 G HN 0.500 nan 8.290 nan 0.000 0.533 341 L N 0.160 121.382 121.223 -0.001 0.000 2.346 341 L HA 0.697 5.042 4.340 0.010 0.000 0.276 341 L C 0.139 177.005 176.870 -0.006 0.000 1.006 341 L CA -1.331 53.503 54.840 -0.010 0.000 0.817 341 L CB 1.822 43.873 42.059 -0.012 0.000 1.272 341 L HN 0.041 nan 8.230 nan 0.000 0.421 342 L N 4.307 125.515 121.223 -0.024 0.000 2.407 342 L HA 0.381 4.727 4.340 0.010 0.000 0.282 342 L C -0.631 176.223 176.870 -0.028 0.000 1.110 342 L CA 0.502 55.325 54.840 -0.027 0.000 0.863 342 L CB 0.038 42.066 42.059 -0.052 0.000 1.207 342 L HN 0.417 nan 8.230 nan 0.000 0.454 343 L N 5.376 126.599 121.223 -0.000 0.000 2.330 343 L HA 0.640 4.986 4.340 0.010 0.000 0.271 343 L C -0.874 176.009 176.870 0.022 0.000 1.013 343 L CA -0.807 54.044 54.840 0.018 0.000 0.816 343 L CB 1.950 44.043 42.059 0.056 0.000 1.287 343 L HN 0.551 nan 8.230 nan 0.000 0.435 344 L N 2.433 123.681 121.223 0.041 0.000 2.482 344 L HA 0.540 4.886 4.340 0.010 0.000 0.269 344 L C -0.581 176.317 176.870 0.047 0.000 0.967 344 L CA -0.072 54.792 54.840 0.040 0.000 0.851 344 L CB 1.309 43.369 42.059 0.002 0.000 1.242 344 L HN 0.591 nan 8.230 nan 0.000 0.404 345 N N 3.731 122.355 118.700 -0.127 0.000 2.741 345 N HA -0.192 4.554 4.740 0.010 0.000 0.250 345 N C 0.969 176.303 175.510 -0.293 0.000 1.115 345 N CA 1.654 54.363 53.050 -0.567 0.000 0.724 345 N CB -1.500 36.541 38.487 -0.744 0.000 1.090 345 N HN 1.469 nan 8.380 nan 0.000 0.558 346 G N -2.079 106.776 108.800 0.093 0.000 2.179 346 G HA2 -0.366 3.600 3.960 0.010 0.000 0.260 346 G HA3 -0.366 3.600 3.960 0.010 0.000 0.260 346 G C -0.026 174.938 174.900 0.106 0.000 0.977 346 G CA 1.006 46.225 45.100 0.198 0.000 0.641 346 G HN 0.442 nan 8.290 nan 0.000 0.533 347 K N 0.583 121.035 120.400 0.085 0.000 2.208 347 K HA 0.599 4.925 4.320 0.010 0.000 0.247 347 K C -2.942 173.658 176.600 0.000 0.000 0.953 347 K CA -2.349 53.943 56.287 0.009 0.000 0.837 347 K CB 2.224 34.650 32.500 -0.123 0.000 1.131 347 K HN 0.063 nan 8.250 nan 0.000 0.431 348 P HA 0.270 nan 4.420 nan 0.000 0.287 348 P C -0.110 177.147 177.300 -0.072 0.000 1.307 348 P CA -0.375 62.697 63.100 -0.047 0.000 0.777 348 P CB 0.505 32.178 31.700 -0.045 0.000 0.883 349 L N 3.714 124.888 121.223 -0.081 0.000 2.467 349 L HA 0.226 4.571 4.340 0.010 0.000 0.270 349 L C 0.617 177.425 176.870 -0.105 0.000 1.205 349 L CA -0.361 54.418 54.840 -0.101 0.000 0.828 349 L CB 0.372 42.324 42.059 -0.179 0.000 1.101 349 L HN 0.292 nan 8.230 nan 0.000 0.479 350 L N 4.291 125.471 121.223 -0.073 0.000 2.442 350 L HA 0.412 4.758 4.340 0.010 0.000 0.261 350 L C -0.699 176.141 176.870 -0.049 0.000 1.000 350 L CA -0.313 54.467 54.840 -0.100 0.000 0.882 350 L CB 0.882 42.907 42.059 -0.056 0.000 1.207 350 L HN 0.219 nan 8.230 nan 0.000 0.443 351 I N 4.309 124.784 120.570 -0.158 0.000 2.494 351 I HA 0.177 4.352 4.170 0.010 0.000 0.289 351 I C 0.738 176.827 176.117 -0.046 0.000 1.106 351 I CA 0.329 61.551 61.300 -0.130 0.000 1.369 351 I CB 0.293 38.108 38.000 -0.309 0.000 1.410 351 I HN 0.506 nan 8.210 nan 0.000 0.523 352 R N 4.572 125.145 120.500 0.122 0.000 3.436 352 R HA 0.475 4.821 4.340 0.010 0.000 0.247 352 R C 0.638 177.094 176.300 0.259 0.000 1.434 352 R CA -0.215 56.032 56.100 0.245 0.000 1.543 352 R CB 0.494 30.799 30.300 0.008 0.000 1.289 352 R HN 0.832 nan 8.270 nan 0.000 0.664 353 G N -0.448 108.343 108.800 -0.014 0.000 2.753 353 G HA2 0.668 4.634 3.960 0.010 0.000 0.285 353 G HA3 0.668 4.634 3.960 0.010 0.000 0.285 353 G C -1.222 173.741 174.900 0.105 0.000 1.344 353 G CA -0.448 44.564 45.100 -0.147 0.000 1.050 353 G HN 0.234 nan 8.290 nan 0.000 0.532 354 V N -0.629 119.386 119.914 0.170 0.000 3.167 354 V HA 0.405 4.531 4.120 0.010 0.000 0.293 354 V C -1.480 174.762 176.094 0.247 0.000 1.379 354 V CA -1.136 61.244 62.300 0.133 0.000 1.019 354 V CB 2.301 33.912 31.823 -0.354 0.000 1.115 354 V HN 0.764 nan 8.190 nan 0.000 0.442 355 N N 3.719 122.488 118.700 0.116 0.000 2.518 355 N HA 0.555 5.300 4.740 0.010 0.000 0.283 355 N C -0.772 174.598 175.510 -0.234 0.000 1.119 355 N CA -0.408 52.608 53.050 -0.057 0.000 0.983 355 N CB 1.690 40.117 38.487 -0.099 0.000 1.139 355 N HN 0.650 nan 8.380 nan 0.000 0.465 356 R N 1.821 122.174 120.500 -0.246 0.000 2.512 356 R HA 0.209 4.555 4.340 0.010 0.000 0.291 356 R C -1.091 175.063 176.300 -0.244 0.000 1.097 356 R CA -0.515 55.461 56.100 -0.207 0.000 0.940 356 R CB 0.882 31.040 30.300 -0.237 0.000 1.198 356 R HN 0.623 nan 8.270 nan 0.000 0.429 357 H N 1.968 120.929 119.070 -0.182 0.000 2.508 357 H HA 0.099 4.661 4.556 0.010 0.000 0.358 357 H C -0.539 174.788 175.328 -0.001 0.000 1.212 357 H CA -0.105 55.918 56.048 -0.041 0.000 1.356 357 H CB 1.556 31.354 29.762 0.061 0.000 1.525 357 H HN 0.541 nan 8.280 nan 0.000 0.578 358 E N 1.386 121.749 120.200 0.272 0.000 1.924 358 E HA 0.068 4.424 4.350 0.010 0.000 0.261 358 E C -0.993 175.729 176.600 0.202 0.000 1.088 358 E CA -0.074 56.407 56.400 0.135 0.000 0.909 358 E CB -0.106 29.665 29.700 0.117 0.000 1.112 358 E HN 0.346 nan 8.360 nan 0.000 0.425 359 H N 1.517 120.630 119.070 0.072 0.000 2.667 359 H HA 0.267 4.828 4.556 0.010 0.000 0.353 359 H C -1.517 173.847 175.328 0.061 0.000 1.072 359 H CA -0.681 55.407 56.048 0.067 0.000 1.214 359 H CB 0.882 30.674 29.762 0.050 0.000 1.600 359 H HN 0.347 nan 8.280 nan 0.000 0.527 360 H N 6.619 125.360 119.070 -0.548 0.000 2.744 360 H HA 0.194 4.755 4.556 0.009 0.000 0.339 360 H C -2.226 172.693 175.328 -0.682 0.000 1.004 360 H CA -2.413 53.379 56.048 -0.426 0.000 1.257 360 H CB 2.403 32.054 29.762 -0.186 0.000 1.552 360 H HN 0.549 nan 8.280 nan 0.000 0.522 361 P HA -0.143 nan 4.420 nan 0.000 0.217 361 P C 1.173 178.287 177.300 -0.310 0.000 1.148 361 P CA 1.132 63.941 63.100 -0.486 0.000 0.828 361 P CB 0.537 32.025 31.700 -0.353 0.000 0.783 362 L N -2.813 118.331 121.223 -0.133 0.000 2.537 362 L HA 0.145 4.491 4.340 0.010 0.000 0.224 362 L C 2.230 179.055 176.870 -0.076 0.000 1.065 362 L CA 0.386 55.169 54.840 -0.096 0.000 0.860 362 L CB -0.640 41.287 42.059 -0.220 0.000 1.086 362 L HN -0.015 nan 8.230 nan 0.000 0.482 363 H N 0.159 119.402 119.070 0.289 0.000 2.553 363 H HA 0.277 4.839 4.556 0.009 0.000 0.265 363 H C 1.522 176.767 175.328 -0.138 0.000 0.964 363 H CA 0.476 56.448 56.048 -0.127 0.000 1.156 363 H CB 0.288 29.768 29.762 -0.469 0.000 1.411 363 H HN 0.338 nan 8.280 nan 0.000 0.558 364 G N 1.438 110.186 108.800 -0.086 0.000 2.595 364 G HA2 -0.360 3.606 3.960 0.010 0.000 0.297 364 G HA3 -0.360 3.606 3.960 0.010 0.000 0.297 364 G C 0.629 175.432 174.900 -0.163 0.000 1.181 364 G CA 0.426 45.391 45.100 -0.225 0.000 0.963 364 G HN 0.464 nan 8.290 nan 0.000 0.541 365 Q N 0.000 119.728 119.800 -0.121 0.000 2.189 365 Q HA 0.540 4.886 4.340 0.010 0.000 0.221 365 Q C 0.204 176.216 176.000 0.021 0.000 0.848 365 Q CA -0.241 55.527 55.803 -0.059 0.000 1.007 365 Q CB 1.527 30.184 28.738 -0.136 0.000 1.116 365 Q HN 0.365 nan 8.270 nan 0.000 0.481 366 V N 1.886 121.804 119.914 0.007 0.000 2.583 366 V HA 0.198 4.323 4.120 0.010 0.000 0.287 366 V C 0.193 176.259 176.094 -0.047 0.000 1.051 366 V CA 0.089 62.388 62.300 -0.001 0.000 1.010 366 V CB 1.098 32.881 31.823 -0.067 0.000 0.988 366 V HN 0.370 nan 8.190 nan 0.000 0.478 367 M N 4.696 124.226 119.600 -0.118 0.000 2.598 367 M HA 0.564 5.050 4.480 0.010 0.000 0.317 367 M C -0.658 175.504 176.300 -0.231 0.000 1.201 367 M CA -0.567 54.619 55.300 -0.190 0.000 0.971 367 M CB 1.934 34.365 32.600 -0.281 0.000 1.657 367 M HN 0.789 nan 8.290 nan 0.000 0.470 368 D N -0.198 120.120 120.400 -0.136 0.000 2.859 368 D HA 0.169 4.815 4.640 0.010 0.000 0.223 368 D C 0.054 176.352 176.300 -0.003 0.000 1.218 368 D CA -0.448 53.502 54.000 -0.083 0.000 0.850 368 D CB 1.758 42.531 40.800 -0.045 0.000 1.656 368 D HN 0.705 nan 8.370 nan 0.000 0.484 369 E N 0.625 120.844 120.200 0.033 0.000 2.164 369 E HA -0.312 4.044 4.350 0.010 0.000 0.206 369 E C 1.484 178.148 176.600 0.107 0.000 1.032 369 E CA 1.878 58.337 56.400 0.098 0.000 0.832 369 E CB 0.230 29.996 29.700 0.110 0.000 0.742 369 E HN 0.428 nan 8.360 nan 0.000 0.460 370 Q N -0.563 119.290 119.800 0.088 0.000 1.975 370 Q HA -0.171 4.175 4.340 0.010 0.000 0.205 370 Q C 2.375 178.445 176.000 0.115 0.000 0.990 370 Q CA 2.316 58.179 55.803 0.100 0.000 0.845 370 Q CB -0.355 28.438 28.738 0.092 0.000 0.913 370 Q HN 0.382 nan 8.270 nan 0.000 0.420 371 T N 1.491 116.117 114.554 0.119 0.000 2.665 371 T HA -0.218 4.138 4.350 0.010 0.000 0.268 371 T C 1.944 176.729 174.700 0.142 0.000 1.035 371 T CA 1.645 63.829 62.100 0.139 0.000 1.151 371 T CB -0.282 68.673 68.868 0.145 0.000 0.862 371 T HN 0.234 nan 8.240 nan 0.000 0.438 372 M N 0.477 120.160 119.600 0.139 0.000 2.088 372 M HA -0.160 4.326 4.480 0.010 0.000 0.256 372 M C 2.478 178.921 176.300 0.239 0.000 1.071 372 M CA 1.641 57.089 55.300 0.246 0.000 1.097 372 M CB -0.741 32.049 32.600 0.318 0.000 1.315 372 M HN 0.108 nan 8.290 nan 0.000 0.406 373 V N -0.279 119.720 119.914 0.142 0.000 2.358 373 V HA -0.282 3.844 4.120 0.010 0.000 0.246 373 V C 2.258 178.373 176.094 0.035 0.000 1.047 373 V CA 1.899 64.222 62.300 0.038 0.000 1.035 373 V CB -0.817 31.057 31.823 0.084 0.000 0.658 373 V HN 0.537 nan 8.190 nan 0.000 0.452 374 Q N -0.137 119.727 119.800 0.106 0.000 2.002 374 Q HA -0.275 4.071 4.340 0.010 0.000 0.204 374 Q C 2.086 178.190 176.000 0.173 0.000 0.988 374 Q CA 2.341 58.225 55.803 0.134 0.000 0.843 374 Q CB -0.174 28.655 28.738 0.151 0.000 0.908 374 Q HN 0.632 nan 8.270 nan 0.000 0.420 375 D N 0.313 120.840 120.400 0.212 0.000 2.137 375 D HA -0.220 4.426 4.640 0.010 0.000 0.189 375 D C 1.940 178.251 176.300 0.018 0.000 0.998 375 D CA 1.486 55.624 54.000 0.231 0.000 0.839 375 D CB -0.490 40.407 40.800 0.162 0.000 0.962 375 D HN 0.315 nan 8.370 nan 0.000 0.446 376 I N 0.805 121.368 120.570 -0.013 0.000 2.113 376 I HA -0.292 3.883 4.170 0.010 0.000 0.242 376 I C 2.594 178.616 176.117 -0.159 0.000 1.064 376 I CA 0.828 62.013 61.300 -0.192 0.000 1.320 376 I CB -0.198 37.557 38.000 -0.407 0.000 1.028 376 I HN 0.061 nan 8.210 nan 0.000 0.406 377 L N -0.056 121.113 121.223 -0.090 0.000 1.990 377 L HA -0.291 4.055 4.340 0.010 0.000 0.213 377 L C 2.598 179.568 176.870 0.166 0.000 1.072 377 L CA 1.782 56.655 54.840 0.055 0.000 0.755 377 L CB -0.771 41.340 42.059 0.086 0.000 0.889 377 L HN 0.347 nan 8.230 nan 0.000 0.432 378 L N -0.997 120.350 121.223 0.206 0.000 1.944 378 L HA -0.331 4.015 4.340 0.010 0.000 0.218 378 L C 2.734 179.806 176.870 0.337 0.000 1.075 378 L CA 1.734 56.779 54.840 0.342 0.000 0.767 378 L CB -0.558 41.849 42.059 0.580 0.000 0.890 378 L HN 0.309 nan 8.230 nan 0.000 0.434 379 M N -0.331 119.357 119.600 0.148 0.000 2.308 379 M HA -0.348 4.138 4.480 0.010 0.000 0.257 379 M C 2.321 178.725 176.300 0.173 0.000 1.070 379 M CA 2.159 57.504 55.300 0.075 0.000 1.080 379 M CB -0.441 31.983 32.600 -0.294 0.000 1.274 379 M HN 0.154 nan 8.290 nan 0.000 0.434 380 K N -0.362 120.025 120.400 -0.021 0.000 2.032 380 K HA -0.227 4.099 4.320 0.010 0.000 0.209 380 K C 1.913 178.481 176.600 -0.052 0.000 1.048 380 K CA 1.738 57.885 56.287 -0.232 0.000 0.927 380 K CB -0.383 31.709 32.500 -0.681 0.000 0.712 380 K HN 0.516 nan 8.250 nan 0.000 0.441 381 Q N 0.500 120.467 119.800 0.278 0.000 2.297 381 Q HA -0.085 4.260 4.340 0.010 0.000 0.208 381 Q C 0.824 177.101 176.000 0.462 0.000 0.981 381 Q CA 0.855 56.950 55.803 0.486 0.000 0.876 381 Q CB -0.039 28.934 28.738 0.392 0.000 0.921 381 Q HN 0.341 nan 8.270 nan 0.000 0.446 382 N N 0.714 119.601 118.700 0.312 0.000 2.279 382 N HA 0.039 4.785 4.740 0.010 0.000 0.226 382 N C -0.625 174.822 175.510 -0.105 0.000 1.126 382 N CA -0.031 53.134 53.050 0.192 0.000 0.846 382 N CB 0.602 39.255 38.487 0.276 0.000 1.050 382 N HN 0.158 nan 8.380 nan 0.000 0.502 383 N N 0.108 118.803 118.700 -0.009 0.000 2.776 383 N HA -0.182 4.563 4.740 0.010 0.000 0.250 383 N C -0.882 174.400 175.510 -0.379 0.000 1.112 383 N CA 0.856 53.809 53.050 -0.160 0.000 0.733 383 N CB -1.894 36.384 38.487 -0.349 0.000 1.097 383 N HN 0.334 nan 8.380 nan 0.000 0.558 384 F N 0.676 120.615 119.950 -0.017 0.000 2.399 384 F HA 0.355 4.888 4.527 0.009 0.000 0.334 384 F C 1.720 177.500 175.800 -0.034 0.000 1.097 384 F CA -0.634 57.343 58.000 -0.039 0.000 1.076 384 F CB 1.074 40.029 39.000 -0.075 0.000 1.162 384 F HN 0.043 nan 8.300 nan 0.000 0.495 385 N N 0.872 119.702 118.700 0.215 0.000 2.211 385 N HA 0.352 5.098 4.740 0.010 0.000 0.216 385 N C -0.650 174.898 175.510 0.062 0.000 1.240 385 N CA 0.117 53.220 53.050 0.088 0.000 0.895 385 N CB 0.648 39.261 38.487 0.211 0.000 1.102 385 N HN 0.457 nan 8.380 nan 0.000 0.498 386 A N -0.329 122.600 122.820 0.182 0.000 2.564 386 A HA 0.849 5.174 4.320 0.010 0.000 0.288 386 A C -1.527 176.240 177.584 0.305 0.000 1.164 386 A CA -0.588 51.618 52.037 0.281 0.000 0.712 386 A CB 1.746 21.004 19.000 0.430 0.000 1.303 386 A HN 0.343 nan 8.150 nan 0.000 0.418 387 V N -0.260 119.941 119.914 0.478 0.000 3.147 387 V HA 0.709 4.834 4.120 0.010 0.000 0.299 387 V C -1.257 174.978 176.094 0.236 0.000 1.302 387 V CA -0.674 61.870 62.300 0.407 0.000 1.015 387 V CB 2.118 34.051 31.823 0.183 0.000 1.086 387 V HN 1.138 nan 8.190 nan 0.000 0.437 388 R N 3.580 124.063 120.500 -0.029 0.000 2.445 388 R HA 0.531 4.877 4.340 0.010 0.000 0.308 388 R C -0.668 175.546 176.300 -0.143 0.000 0.961 388 R CA -0.470 55.467 56.100 -0.271 0.000 0.862 388 R CB 1.313 31.268 30.300 -0.574 0.000 1.144 388 R HN 0.853 nan 8.270 nan 0.000 0.447 389 C N 3.869 123.107 119.300 -0.103 0.000 3.424 389 C HA 0.093 4.559 4.460 0.010 0.000 0.577 389 C C 0.613 175.353 174.990 -0.418 0.000 1.086 389 C CA -0.499 58.408 59.018 -0.185 0.000 1.153 389 C CB -2.132 25.612 27.740 0.007 0.000 1.411 389 C HN 0.689 nan 8.230 nan 0.000 0.636 390 S N 1.445 116.820 115.700 -0.541 0.000 2.465 390 S HA 0.109 4.585 4.470 0.010 0.000 0.307 390 S C -0.111 173.492 174.600 -1.662 0.000 1.187 390 S CA 0.295 57.906 58.200 -0.982 0.000 1.141 390 S CB -0.248 62.418 63.200 -0.890 0.000 1.108 390 S HN 0.732 nan 8.310 nan 0.000 0.525 391 H N 3.604 121.957 119.070 -1.195 0.000 2.514 391 H HA 0.318 4.880 4.556 0.010 0.000 0.226 391 H C -1.006 174.121 175.328 -0.334 0.000 1.421 391 H CA -0.461 55.282 56.048 -0.508 0.000 1.394 391 H CB -0.200 29.496 29.762 -0.110 0.000 1.701 391 H HN 0.870 nan 8.280 nan 0.000 0.515 392 Y N -2.419 117.961 120.300 0.132 0.000 2.765 392 Y HA 0.412 4.968 4.550 0.010 0.000 0.350 392 Y C -3.306 172.686 175.900 0.153 0.000 1.196 392 Y CA -2.932 55.256 58.100 0.148 0.000 1.119 392 Y CB 0.005 38.550 38.460 0.143 0.000 1.368 392 Y HN -0.090 nan 8.280 nan 0.000 0.463 393 P HA 0.160 nan 4.420 nan 0.000 0.271 393 P C -0.752 176.845 177.300 0.496 0.000 1.216 393 P CA 0.115 63.475 63.100 0.433 0.000 0.771 393 P CB 0.647 32.549 31.700 0.338 0.000 0.864 394 N N 1.061 120.025 118.700 0.440 0.000 2.530 394 N HA 0.045 4.791 4.740 0.010 0.000 0.277 394 N C 0.411 176.099 175.510 0.297 0.000 1.168 394 N CA -0.439 52.756 53.050 0.241 0.000 0.979 394 N CB 0.383 38.786 38.487 -0.139 0.000 1.141 394 N HN 0.620 nan 8.380 nan 0.000 0.459 395 H N 3.218 122.356 119.070 0.112 0.000 3.092 395 H HA -0.033 4.528 4.556 0.010 0.000 0.332 395 H C -1.668 173.764 175.328 0.173 0.000 1.029 395 H CA -0.516 55.600 56.048 0.114 0.000 1.376 395 H CB 0.892 30.681 29.762 0.046 0.000 1.329 395 H HN 0.461 nan 8.280 nan 0.000 0.598 396 P HA -0.237 nan 4.420 nan 0.000 0.218 396 P C 1.908 179.365 177.300 0.262 0.000 1.154 396 P CA 0.987 64.179 63.100 0.152 0.000 0.872 396 P CB 0.133 31.802 31.700 -0.051 0.000 0.790 397 L N -1.273 120.130 121.223 0.300 0.000 2.083 397 L HA -0.081 4.265 4.340 0.010 0.000 0.209 397 L C 2.378 179.403 176.870 0.258 0.000 1.083 397 L CA 1.470 56.503 54.840 0.322 0.000 0.752 397 L CB -1.513 40.785 42.059 0.397 0.000 0.899 397 L HN 0.076 nan 8.230 nan 0.000 0.433 398 W N -0.325 120.980 121.300 0.009 0.000 2.280 398 W HA -0.434 4.231 4.660 0.009 0.000 0.332 398 W C 2.299 178.659 176.519 -0.265 0.000 1.300 398 W CA 2.446 59.671 57.345 -0.200 0.000 1.274 398 W CB -0.687 28.521 29.460 -0.419 0.000 1.141 398 W HN 0.254 nan 8.180 nan 0.000 0.474 399 Y N 0.558 120.754 120.300 -0.173 0.000 2.030 399 Y HA -0.343 4.213 4.550 0.010 0.000 0.274 399 Y C 2.911 178.580 175.900 -0.385 0.000 1.153 399 Y CA 2.464 60.254 58.100 -0.516 0.000 1.115 399 Y CB -1.434 36.418 38.460 -1.013 0.000 0.969 399 Y HN -0.148 nan 8.280 nan 0.000 0.488 400 T N 0.900 115.459 114.554 0.009 0.000 2.624 400 T HA -0.255 4.101 4.350 0.010 0.000 0.268 400 T C 2.000 176.751 174.700 0.085 0.000 1.041 400 T CA 1.896 64.090 62.100 0.158 0.000 1.159 400 T CB -0.752 68.266 68.868 0.250 0.000 0.863 400 T HN 0.207 nan 8.240 nan 0.000 0.434 401 L N 0.369 121.623 121.223 0.051 0.000 2.013 401 L HA -0.191 4.154 4.340 0.010 0.000 0.212 401 L C 2.985 179.918 176.870 0.106 0.000 1.073 401 L CA 1.313 56.236 54.840 0.137 0.000 0.753 401 L CB -0.809 41.290 42.059 0.068 0.000 0.890 401 L HN 0.410 nan 8.230 nan 0.000 0.432 402 C N -0.259 118.898 119.300 -0.238 0.000 2.413 402 C HA -0.183 4.283 4.460 0.010 0.000 0.277 402 C C 2.425 177.470 174.990 0.091 0.000 1.265 402 C CA 0.606 59.499 59.018 -0.209 0.000 1.752 402 C CB -0.956 26.527 27.740 -0.428 0.000 1.998 402 C HN 0.567 nan 8.230 nan 0.000 0.489 403 D N 0.259 120.710 120.400 0.085 0.000 2.117 403 D HA -0.092 4.554 4.640 0.010 0.000 0.198 403 D C 2.340 178.826 176.300 0.309 0.000 0.982 403 D CA 1.072 55.180 54.000 0.179 0.000 0.828 403 D CB -0.403 40.445 40.800 0.080 0.000 0.967 403 D HN 0.535 nan 8.370 nan 0.000 0.464 404 R N -0.483 120.110 120.500 0.154 0.000 2.066 404 R HA -0.090 4.256 4.340 0.010 0.000 0.232 404 R C 1.839 178.084 176.300 -0.092 0.000 1.131 404 R CA 1.015 57.125 56.100 0.016 0.000 0.955 404 R CB -0.141 30.095 30.300 -0.107 0.000 0.851 404 R HN 0.281 nan 8.270 nan 0.000 0.432 405 Y N -0.874 119.447 120.300 0.034 0.000 2.462 405 Y HA 0.277 4.833 4.550 0.009 0.000 0.261 405 Y C 0.689 176.514 175.900 -0.124 0.000 1.146 405 Y CA 0.308 58.396 58.100 -0.019 0.000 1.283 405 Y CB 1.171 39.594 38.460 -0.060 0.000 1.090 405 Y HN 0.199 nan 8.280 nan 0.000 0.526 406 G N 1.563 110.404 108.800 0.067 0.000 2.858 406 G HA2 -0.182 3.784 3.960 0.010 0.000 0.266 406 G HA3 -0.182 3.784 3.960 0.010 0.000 0.266 406 G C -1.124 173.623 174.900 -0.255 0.000 1.023 406 G CA -0.514 44.475 45.100 -0.184 0.000 1.172 406 G HN 0.201 nan 8.290 nan 0.000 0.523 407 L N 1.579 122.737 121.223 -0.108 0.000 2.505 407 L HA 0.381 4.727 4.340 0.010 0.000 0.266 407 L C -0.017 176.831 176.870 -0.037 0.000 0.954 407 L CA -1.228 53.490 54.840 -0.203 0.000 0.852 407 L CB 1.761 43.708 42.059 -0.188 0.000 1.282 407 L HN 0.510 nan 8.230 nan 0.000 0.403 408 Y N 2.939 123.351 120.300 0.188 0.000 2.544 408 Y HA 0.237 4.794 4.550 0.011 0.000 0.330 408 Y C 0.344 176.345 175.900 0.168 0.000 1.136 408 Y CA -0.440 57.790 58.100 0.216 0.000 1.417 408 Y CB 0.687 39.266 38.460 0.199 0.000 1.229 408 Y HN 0.171 nan 8.280 nan 0.000 0.532 409 V N 4.775 124.842 119.914 0.257 0.000 2.555 409 V HA 0.349 4.475 4.120 0.010 0.000 0.302 409 V C -0.563 175.577 176.094 0.077 0.000 1.038 409 V CA -0.987 61.406 62.300 0.154 0.000 0.887 409 V CB 2.077 33.958 31.823 0.096 0.000 0.991 409 V HN 0.474 nan 8.190 nan 0.000 0.434 410 V N 3.634 123.571 119.914 0.040 0.000 2.311 410 V HA 0.338 4.464 4.120 0.010 0.000 0.275 410 V C -0.269 175.842 176.094 0.030 0.000 1.022 410 V CA -0.556 61.718 62.300 -0.043 0.000 0.830 410 V CB 1.430 33.141 31.823 -0.187 0.000 1.012 410 V HN 0.818 nan 8.190 nan 0.000 0.452 411 D N 4.312 124.742 120.400 0.051 0.000 2.308 411 D HA 0.289 4.934 4.640 0.010 0.000 0.251 411 D C -0.072 176.373 176.300 0.241 0.000 1.127 411 D CA 0.206 54.325 54.000 0.199 0.000 0.876 411 D CB 1.164 42.096 40.800 0.220 0.000 1.176 411 D HN 0.722 nan 8.370 nan 0.000 0.446 412 E N 1.915 122.242 120.200 0.211 0.000 2.263 412 E HA 0.544 4.900 4.350 0.010 0.000 0.268 412 E C -1.299 175.413 176.600 0.188 0.000 0.884 412 E CA -1.027 55.485 56.400 0.187 0.000 0.766 412 E CB 1.413 31.187 29.700 0.123 0.000 1.196 412 E HN 0.386 nan 8.360 nan 0.000 0.416 413 A N 3.828 126.760 122.820 0.186 0.000 2.498 413 A HA 0.030 4.356 4.320 0.010 0.000 0.239 413 A C 0.401 178.097 177.584 0.188 0.000 1.068 413 A CA -0.110 52.025 52.037 0.162 0.000 0.766 413 A CB 0.031 19.095 19.000 0.107 0.000 1.003 413 A HN 0.696 nan 8.150 nan 0.000 0.497 414 N N 1.257 120.084 118.700 0.211 0.000 2.892 414 N HA 0.259 5.005 4.740 0.010 0.000 0.300 414 N C -1.032 174.605 175.510 0.211 0.000 1.211 414 N CA 0.293 53.502 53.050 0.264 0.000 1.158 414 N CB -0.883 37.785 38.487 0.302 0.000 1.455 414 N HN 0.471 nan 8.380 nan 0.000 0.524 415 I N 0.906 121.594 120.570 0.198 0.000 2.529 415 I HA 0.275 4.451 4.170 0.010 0.000 0.284 415 I C -0.643 175.579 176.117 0.175 0.000 1.088 415 I CA -0.556 60.849 61.300 0.175 0.000 1.062 415 I CB 1.754 39.836 38.000 0.136 0.000 1.218 415 I HN 0.240 nan 8.210 nan 0.000 0.442 416 E N 4.346 124.646 120.200 0.168 0.000 2.313 416 E HA 0.318 4.673 4.350 0.010 0.000 0.280 416 E C -0.690 175.987 176.600 0.128 0.000 0.898 416 E CA -0.457 56.019 56.400 0.126 0.000 0.803 416 E CB 1.570 31.324 29.700 0.091 0.000 1.286 416 E HN 0.614 nan 8.360 nan 0.000 0.401 417 T N 0.711 115.334 114.554 0.115 0.000 3.293 417 T HA 0.139 4.495 4.350 0.010 0.000 0.276 417 T C 1.026 175.792 174.700 0.111 0.000 1.003 417 T CA -0.244 61.950 62.100 0.156 0.000 0.916 417 T CB -0.319 68.608 68.868 0.098 0.000 1.134 417 T HN 0.653 nan 8.240 nan 0.000 0.530 418 H N 1.513 120.515 119.070 -0.113 0.000 2.325 418 H HA -0.148 4.414 4.556 0.010 0.000 0.293 418 H C 2.474 177.690 175.328 -0.187 0.000 1.106 418 H CA 1.470 57.415 56.048 -0.171 0.000 1.247 418 H CB -0.422 29.199 29.762 -0.235 0.000 1.359 418 H HN 0.560 nan 8.280 nan 0.000 0.488 419 G N 1.125 109.805 108.800 -0.200 0.000 2.485 419 G HA2 -0.221 3.745 3.960 0.010 0.000 0.221 419 G HA3 -0.221 3.745 3.960 0.010 0.000 0.221 419 G C 0.744 175.738 174.900 0.157 0.000 1.115 419 G CA 0.645 45.631 45.100 -0.190 0.000 0.751 419 G HN 0.232 nan 8.290 nan 0.000 0.567 420 M N 0.348 120.088 119.600 0.233 0.000 2.250 420 M HA 0.270 4.756 4.480 0.010 0.000 0.325 420 M C -0.444 175.878 176.300 0.037 0.000 1.084 420 M CA 0.156 55.530 55.300 0.122 0.000 1.161 420 M CB 1.182 33.809 32.600 0.046 0.000 1.481 420 M HN -0.160 nan 8.290 nan 0.000 0.449 421 V N 3.137 123.050 119.914 -0.000 0.000 2.443 421 V HA 0.391 4.517 4.120 0.010 0.000 0.293 421 V C -2.151 173.923 176.094 -0.033 0.000 1.021 421 V CA -1.376 60.912 62.300 -0.020 0.000 0.848 421 V CB 1.514 33.322 31.823 -0.025 0.000 0.998 421 V HN 0.703 nan 8.190 nan 0.000 0.424 422 P HA 0.383 nan 4.420 nan 0.000 0.282 422 P C 1.172 178.463 177.300 -0.016 0.000 1.287 422 P CA -0.734 62.352 63.100 -0.025 0.000 0.792 422 P CB 0.799 32.484 31.700 -0.024 0.000 1.163 423 M N 0.734 120.329 119.600 -0.007 0.000 2.089 423 M HA -0.266 4.220 4.480 0.010 0.000 0.257 423 M C 1.294 177.604 176.300 0.018 0.000 1.071 423 M CA 2.576 57.880 55.300 0.007 0.000 1.096 423 M CB -0.582 32.006 32.600 -0.020 0.000 1.330 423 M HN 0.411 nan 8.290 nan 0.000 0.403 424 N N -0.384 118.329 118.700 0.021 0.000 2.467 424 N HA -0.117 4.628 4.740 0.010 0.000 0.184 424 N C 1.319 176.799 175.510 -0.051 0.000 1.106 424 N CA 0.593 53.660 53.050 0.027 0.000 0.892 424 N CB -0.810 37.701 38.487 0.041 0.000 0.969 424 N HN 0.338 nan 8.380 nan 0.000 0.454 425 R N 0.364 120.822 120.500 -0.071 0.000 2.292 425 R HA -0.225 4.121 4.340 0.010 0.000 0.268 425 R C 1.121 177.299 176.300 -0.203 0.000 1.150 425 R CA 2.120 58.149 56.100 -0.119 0.000 0.993 425 R CB -0.319 29.912 30.300 -0.115 0.000 0.901 425 R HN 0.415 nan 8.270 nan 0.000 0.470 426 L N -1.546 119.497 121.223 -0.301 0.000 2.286 426 L HA 0.019 4.364 4.340 0.010 0.000 0.203 426 L C 2.555 179.285 176.870 -0.234 0.000 1.068 426 L CA 1.051 55.587 54.840 -0.506 0.000 0.811 426 L CB -0.541 40.927 42.059 -0.984 0.000 0.989 426 L HN 0.308 nan 8.230 nan 0.000 0.467 427 T N -3.523 110.927 114.554 -0.174 0.000 2.929 427 T HA -0.225 4.131 4.350 0.010 0.000 0.271 427 T C 1.338 175.948 174.700 -0.149 0.000 1.085 427 T CA 1.773 63.766 62.100 -0.177 0.000 1.125 427 T CB -0.310 68.430 68.868 -0.215 0.000 0.874 427 T HN 0.184 nan 8.240 nan 0.000 0.494 428 D N 0.843 121.186 120.400 -0.095 0.000 2.354 428 D HA 0.070 4.716 4.640 0.010 0.000 0.209 428 D C 0.149 176.426 176.300 -0.038 0.000 1.015 428 D CA -0.041 53.913 54.000 -0.076 0.000 0.867 428 D CB -0.085 40.670 40.800 -0.074 0.000 0.933 428 D HN 0.290 nan 8.370 nan 0.000 0.520 429 D N -0.006 120.389 120.400 -0.008 0.000 2.325 429 D HA 0.035 4.681 4.640 0.010 0.000 0.251 429 D C -1.558 174.807 176.300 0.107 0.000 1.196 429 D CA -2.006 52.039 54.000 0.075 0.000 0.866 429 D CB 1.695 42.611 40.800 0.193 0.000 1.101 429 D HN 0.043 nan 8.370 nan 0.000 0.476 430 P HA -0.157 nan 4.420 nan 0.000 0.217 430 P C 1.289 178.589 177.300 -0.001 0.000 1.148 430 P CA 0.835 63.942 63.100 0.013 0.000 0.828 430 P CB 0.307 32.003 31.700 -0.006 0.000 0.783 431 R N -1.355 119.147 120.500 0.004 0.000 2.127 431 R HA -0.131 4.215 4.340 0.010 0.000 0.238 431 R C 1.979 178.136 176.300 -0.238 0.000 1.134 431 R CA 1.462 57.492 56.100 -0.118 0.000 0.975 431 R CB -0.869 29.363 30.300 -0.114 0.000 0.865 431 R HN 0.363 nan 8.270 nan 0.000 0.447 432 W N 0.138 121.383 121.300 -0.093 0.000 3.139 432 W HA 0.018 4.683 4.660 0.009 0.000 0.260 432 W C 1.743 178.204 176.519 -0.096 0.000 1.312 432 W CA -0.346 56.944 57.345 -0.092 0.000 1.606 432 W CB -0.160 29.243 29.460 -0.096 0.000 1.118 432 W HN 0.017 nan 8.180 nan 0.000 0.675 433 L N 2.135 123.384 121.223 0.043 0.000 1.989 433 L HA -0.113 4.233 4.340 0.010 0.000 0.211 433 L C -0.489 176.345 176.870 -0.059 0.000 1.071 433 L CA 2.273 57.101 54.840 -0.020 0.000 0.749 433 L CB -1.934 40.102 42.059 -0.038 0.000 0.890 433 L HN -0.208 nan 8.230 nan 0.000 0.431 434 P HA -0.191 nan 4.420 nan 0.000 0.215 434 P C 1.603 178.846 177.300 -0.096 0.000 1.157 434 P CA 2.360 65.397 63.100 -0.105 0.000 0.874 434 P CB -0.268 31.360 31.700 -0.120 0.000 0.790 435 A N -0.980 121.792 122.820 -0.079 0.000 1.902 435 A HA -0.197 4.128 4.320 0.010 0.000 0.217 435 A C 2.278 179.868 177.584 0.011 0.000 1.181 435 A CA 2.076 54.097 52.037 -0.026 0.000 0.623 435 A CB -1.450 17.553 19.000 0.004 0.000 0.818 435 A HN 0.102 nan 8.150 nan 0.000 0.443 436 M N -0.387 119.229 119.600 0.028 0.000 2.086 436 M HA -0.155 4.331 4.480 0.010 0.000 0.261 436 M C 2.598 178.847 176.300 -0.084 0.000 1.067 436 M CA 1.787 57.085 55.300 -0.004 0.000 1.116 436 M CB -0.525 32.053 32.600 -0.037 0.000 1.348 436 M HN 0.631 nan 8.290 nan 0.000 0.407 437 S N 0.758 116.382 115.700 -0.126 0.000 2.381 437 S HA -0.253 4.223 4.470 0.010 0.000 0.230 437 S C 1.655 176.096 174.600 -0.265 0.000 1.052 437 S CA 2.038 60.103 58.200 -0.225 0.000 1.068 437 S CB -0.492 62.573 63.200 -0.225 0.000 0.918 437 S HN 0.540 nan 8.310 nan 0.000 0.448 438 E N 0.198 120.290 120.200 -0.181 0.000 2.268 438 E HA -0.073 4.283 4.350 0.010 0.000 0.195 438 E C 2.465 178.977 176.600 -0.146 0.000 0.995 438 E CA 0.689 56.987 56.400 -0.170 0.000 0.836 438 E CB -0.099 29.532 29.700 -0.114 0.000 0.763 438 E HN 0.574 nan 8.360 nan 0.000 0.491 439 R N -0.010 120.428 120.500 -0.103 0.000 2.115 439 R HA -0.058 4.287 4.340 0.010 0.000 0.226 439 R C 2.221 178.473 176.300 -0.080 0.000 1.100 439 R CA 0.708 56.777 56.100 -0.051 0.000 0.980 439 R CB 0.143 30.449 30.300 0.010 0.000 0.875 439 R HN 0.023 nan 8.270 nan 0.000 0.445 440 V N 0.124 119.939 119.914 -0.165 0.000 2.374 440 V HA -0.178 3.948 4.120 0.010 0.000 0.241 440 V C 2.531 178.406 176.094 -0.364 0.000 1.034 440 V CA 2.037 64.207 62.300 -0.217 0.000 1.037 440 V CB -0.359 31.333 31.823 -0.218 0.000 0.682 440 V HN 0.503 nan 8.190 nan 0.000 0.463 441 T N 0.720 114.923 114.554 -0.586 0.000 2.635 441 T HA -0.311 4.045 4.350 0.010 0.000 0.267 441 T C 1.904 176.412 174.700 -0.319 0.000 1.040 441 T CA 2.003 63.660 62.100 -0.739 0.000 1.156 441 T CB -0.545 67.790 68.868 -0.889 0.000 0.863 441 T HN 0.521 nan 8.240 nan 0.000 0.430 442 R N 0.884 121.240 120.500 -0.241 0.000 2.092 442 R HA 0.155 4.501 4.340 0.010 0.000 0.231 442 R C 2.783 179.002 176.300 -0.134 0.000 1.119 442 R CA 1.539 57.545 56.100 -0.158 0.000 0.970 442 R CB -0.670 29.549 30.300 -0.135 0.000 0.864 442 R HN 0.508 nan 8.270 nan 0.000 0.440 443 M N 1.198 120.725 119.600 -0.121 0.000 2.159 443 M HA -0.141 4.345 4.480 0.010 0.000 0.263 443 M C 1.781 178.005 176.300 -0.127 0.000 1.063 443 M CA 1.599 56.859 55.300 -0.066 0.000 1.110 443 M CB 0.059 32.658 32.600 -0.003 0.000 1.374 443 M HN 0.003 nan 8.290 nan 0.000 0.411 444 V N 1.124 120.877 119.914 -0.269 0.000 2.244 444 V HA -0.289 3.837 4.120 0.010 0.000 0.244 444 V C 2.291 178.264 176.094 -0.201 0.000 1.042 444 V CA 2.183 64.218 62.300 -0.443 0.000 1.006 444 V CB -1.092 30.482 31.823 -0.415 0.000 0.641 444 V HN 0.574 nan 8.190 nan 0.000 0.446 445 Q N -0.423 119.300 119.800 -0.128 0.000 2.268 445 Q HA -0.288 4.058 4.340 0.010 0.000 0.210 445 Q C 2.418 178.336 176.000 -0.137 0.000 0.988 445 Q CA 2.051 57.791 55.803 -0.105 0.000 0.883 445 Q CB -0.267 28.432 28.738 -0.065 0.000 0.911 445 Q HN 0.613 nan 8.270 nan 0.000 0.430 446 R N 0.131 120.546 120.500 -0.141 0.000 2.128 446 R HA -0.061 4.285 4.340 0.010 0.000 0.211 446 R C 0.646 176.876 176.300 -0.118 0.000 1.067 446 R CA 1.128 57.127 56.100 -0.169 0.000 1.010 446 R CB 0.382 30.570 30.300 -0.187 0.000 0.922 446 R HN 0.097 nan 8.270 nan 0.000 0.457 447 D N 0.975 121.352 120.400 -0.039 0.000 2.354 447 D HA -0.031 4.615 4.640 0.010 0.000 0.209 447 D C 1.703 178.092 176.300 0.149 0.000 1.015 447 D CA 0.411 54.428 54.000 0.029 0.000 0.867 447 D CB 0.109 40.844 40.800 -0.108 0.000 0.933 447 D HN 0.350 nan 8.370 nan 0.000 0.520 448 R N 1.397 121.993 120.500 0.160 0.000 2.153 448 R HA -0.122 4.224 4.340 0.010 0.000 0.252 448 R C 1.049 177.335 176.300 -0.023 0.000 1.158 448 R CA 1.390 57.583 56.100 0.154 0.000 0.975 448 R CB -0.823 29.475 30.300 -0.003 0.000 0.871 448 R HN 0.114 nan 8.270 nan 0.000 0.450 449 N N 0.395 119.001 118.700 -0.155 0.000 2.322 449 N HA -0.018 4.728 4.740 0.010 0.000 0.194 449 N C -0.462 174.923 175.510 -0.210 0.000 1.126 449 N CA 0.144 53.065 53.050 -0.215 0.000 0.845 449 N CB 0.096 38.427 38.487 -0.260 0.000 0.976 449 N HN 0.364 nan 8.380 nan 0.000 0.475 450 H N 1.188 120.145 119.070 -0.188 0.000 2.562 450 H HA 0.157 4.719 4.556 0.009 0.000 0.314 450 H C -1.336 173.793 175.328 -0.330 0.000 1.079 450 H CA -1.290 54.623 56.048 -0.224 0.000 1.349 450 H CB 2.043 31.703 29.762 -0.170 0.000 1.432 450 H HN -0.030 nan 8.280 nan 0.000 0.479 451 P HA -0.080 nan 4.420 nan 0.000 0.222 451 P C 1.368 178.221 177.300 -0.745 0.000 1.153 451 P CA 0.729 63.437 63.100 -0.653 0.000 0.798 451 P CB 0.319 31.300 31.700 -1.199 0.000 0.796 452 S N -0.307 115.029 115.700 -0.607 0.000 2.387 452 S HA -0.094 4.381 4.470 0.010 0.000 0.230 452 S C 1.175 175.722 174.600 -0.087 0.000 1.035 452 S CA 0.721 58.763 58.200 -0.263 0.000 1.014 452 S CB -1.405 61.737 63.200 -0.097 0.000 0.836 452 S HN -0.009 nan 8.310 nan 0.000 0.466 453 V N 3.726 123.527 119.914 -0.187 0.000 2.421 453 V HA 0.122 4.247 4.120 0.010 0.000 0.271 453 V C 1.011 176.931 176.094 -0.290 0.000 1.031 453 V CA 0.194 62.340 62.300 -0.257 0.000 1.032 453 V CB 0.098 31.651 31.823 -0.450 0.000 1.009 453 V HN 0.524 nan 8.190 nan 0.000 0.477 454 I N 2.928 123.382 120.570 -0.193 0.000 4.139 454 I HA 0.500 4.676 4.170 0.010 0.000 0.320 454 I C 0.396 176.370 176.117 -0.238 0.000 1.290 454 I CA 0.463 61.669 61.300 -0.157 0.000 1.253 454 I CB 0.525 38.522 38.000 -0.004 0.000 1.122 454 I HN 0.298 nan 8.210 nan 0.000 0.421 455 I N 0.478 120.876 120.570 -0.288 0.000 2.607 455 I HA 0.328 4.504 4.170 0.010 0.000 0.290 455 I C -1.631 174.341 176.117 -0.242 0.000 1.129 455 I CA -0.400 60.769 61.300 -0.217 0.000 1.042 455 I CB 1.978 39.947 38.000 -0.052 0.000 1.242 455 I HN 0.028 nan 8.210 nan 0.000 0.421 456 W N 4.503 125.825 121.300 0.036 0.000 2.417 456 W HA 0.591 5.255 4.660 0.008 0.000 0.317 456 W C 0.474 177.033 176.519 0.067 0.000 1.121 456 W CA -0.685 56.688 57.345 0.045 0.000 1.208 456 W CB 1.511 30.996 29.460 0.042 0.000 1.253 456 W HN 0.320 nan 8.180 nan 0.000 0.533 457 S N 3.275 119.179 115.700 0.340 0.000 2.473 457 S HA 0.357 4.833 4.470 0.010 0.000 0.307 457 S C 0.447 175.199 174.600 0.253 0.000 1.094 457 S CA -0.719 57.633 58.200 0.253 0.000 1.070 457 S CB 0.745 64.043 63.200 0.163 0.000 1.019 457 S HN 0.587 nan 8.310 nan 0.000 0.480 458 L N 4.465 125.842 121.223 0.255 0.000 2.633 458 L HA 0.268 4.614 4.340 0.010 0.000 0.235 458 L C 1.557 178.513 176.870 0.143 0.000 1.163 458 L CA 0.705 55.620 54.840 0.125 0.000 0.859 458 L CB -1.241 40.772 42.059 -0.076 0.000 0.973 458 L HN 1.013 nan 8.230 nan 0.000 0.451 459 G N -0.755 108.205 108.800 0.267 0.000 2.250 459 G HA2 -0.123 3.843 3.960 0.010 0.000 0.196 459 G HA3 -0.123 3.843 3.960 0.010 0.000 0.196 459 G C -1.499 173.548 174.900 0.246 0.000 1.308 459 G CA -0.551 44.691 45.100 0.236 0.000 1.207 459 G HN 0.084 nan 8.290 nan 0.000 0.505 460 N N 0.621 119.438 118.700 0.195 0.000 2.405 460 N HA 0.442 5.188 4.740 0.010 0.000 0.274 460 N C -0.649 174.843 175.510 -0.030 0.000 1.170 460 N CA -0.041 52.991 53.050 -0.031 0.000 0.848 460 N CB 1.892 40.146 38.487 -0.388 0.000 1.629 460 N HN 0.776 nan 8.380 nan 0.000 0.481 461 E N 0.328 120.394 120.200 -0.223 0.000 1.822 461 E HA -0.176 4.180 4.350 0.010 0.000 0.168 461 E C -0.636 175.878 176.600 -0.143 0.000 1.351 461 E CA 0.735 56.928 56.400 -0.346 0.000 0.547 461 E CB -1.013 28.214 29.700 -0.787 0.000 1.036 461 E HN 0.351 nan 8.360 nan 0.000 0.280 462 S N 0.349 116.090 115.700 0.068 0.000 3.021 462 S HA 0.368 4.843 4.470 0.010 0.000 0.252 462 S C 0.721 175.480 174.600 0.266 0.000 0.996 462 S CA -0.214 58.098 58.200 0.187 0.000 1.084 462 S CB 1.248 64.640 63.200 0.321 0.000 1.021 462 S HN 0.862 nan 8.310 nan 0.000 0.566 463 G N 2.146 111.027 108.800 0.135 0.000 2.581 463 G HA2 -0.280 3.686 3.960 0.010 0.000 0.291 463 G HA3 -0.280 3.686 3.960 0.010 0.000 0.291 463 G C -0.405 174.682 174.900 0.312 0.000 1.277 463 G CA 0.292 45.474 45.100 0.136 0.000 0.959 463 G HN 0.666 nan 8.290 nan 0.000 0.554 464 H N 0.570 119.741 119.070 0.169 0.000 2.906 464 H HA 0.566 5.127 4.556 0.009 0.000 0.324 464 H C 0.311 175.785 175.328 0.243 0.000 0.973 464 H CA 0.008 56.207 56.048 0.251 0.000 1.321 464 H CB 0.624 30.477 29.762 0.153 0.000 1.535 464 H HN 1.036 nan 8.280 nan 0.000 0.518 465 G N 1.423 110.314 108.800 0.152 0.000 2.788 465 G HA2 0.460 4.426 3.960 0.010 0.000 0.293 465 G HA3 0.460 4.426 3.960 0.010 0.000 0.293 465 G C 0.601 175.396 174.900 -0.176 0.000 1.305 465 G CA -0.160 44.852 45.100 -0.147 0.000 1.005 465 G HN 0.646 nan 8.290 nan 0.000 0.496 466 A N -0.033 122.705 122.820 -0.137 0.000 1.972 466 A HA -0.092 4.234 4.320 0.010 0.000 0.219 466 A C 2.152 179.715 177.584 -0.036 0.000 1.169 466 A CA 1.999 53.997 52.037 -0.065 0.000 0.635 466 A CB -0.539 18.438 19.000 -0.040 0.000 0.810 466 A HN 0.535 nan 8.150 nan 0.000 0.446 467 N N -0.074 118.563 118.700 -0.106 0.000 2.149 467 N HA -0.177 4.569 4.740 0.010 0.000 0.188 467 N C 1.393 176.812 175.510 -0.152 0.000 1.019 467 N CA 1.908 54.870 53.050 -0.147 0.000 0.857 467 N CB -0.755 37.612 38.487 -0.200 0.000 0.997 467 N HN 0.793 nan 8.380 nan 0.000 0.426 468 H N 0.426 119.495 119.070 -0.003 0.000 2.321 468 H HA -0.028 4.533 4.556 0.009 0.000 0.300 468 H C 1.435 176.816 175.328 0.088 0.000 1.087 468 H CA 1.371 57.408 56.048 -0.018 0.000 1.319 468 H CB 0.091 29.847 29.762 -0.010 0.000 1.379 468 H HN 0.220 nan 8.280 nan 0.000 0.501 469 D N 0.552 121.108 120.400 0.260 0.000 2.087 469 D HA -0.194 4.452 4.640 0.010 0.000 0.192 469 D C 2.390 178.832 176.300 0.237 0.000 0.993 469 D CA 1.282 55.412 54.000 0.218 0.000 0.828 469 D CB -0.540 40.369 40.800 0.183 0.000 0.968 469 D HN 0.408 nan 8.370 nan 0.000 0.448 470 A N 1.576 124.489 122.820 0.155 0.000 1.859 470 A HA -0.225 4.101 4.320 0.010 0.000 0.218 470 A C 2.515 180.215 177.584 0.194 0.000 1.209 470 A CA 1.588 53.712 52.037 0.145 0.000 0.639 470 A CB -1.162 17.882 19.000 0.074 0.000 0.835 470 A HN 0.245 nan 8.150 nan 0.000 0.450 471 L N -2.069 119.239 121.223 0.143 0.000 2.081 471 L HA -0.251 4.095 4.340 0.010 0.000 0.212 471 L C 2.633 179.644 176.870 0.235 0.000 1.080 471 L CA 2.108 57.029 54.840 0.135 0.000 0.754 471 L CB -0.736 41.337 42.059 0.024 0.000 0.893 471 L HN 0.698 nan 8.230 nan 0.000 0.433 472 Y N 0.940 121.309 120.300 0.115 0.000 2.114 472 Y HA -0.317 4.237 4.550 0.007 0.000 0.284 472 Y C 2.835 178.807 175.900 0.119 0.000 1.143 472 Y CA 1.676 59.847 58.100 0.118 0.000 1.135 472 Y CB -0.219 38.306 38.460 0.109 0.000 0.980 472 Y HN -0.073 nan 8.280 nan 0.000 0.499 473 R N 0.174 120.842 120.500 0.281 0.000 2.103 473 R HA -0.261 4.085 4.340 0.010 0.000 0.242 473 R C 2.083 178.396 176.300 0.021 0.000 1.142 473 R CA 2.157 58.326 56.100 0.114 0.000 0.960 473 R CB -1.585 28.840 30.300 0.209 0.000 0.858 473 R HN 0.719 nan 8.270 nan 0.000 0.439 474 W N 0.254 121.518 121.300 -0.060 0.000 2.321 474 W HA -0.198 4.468 4.660 0.010 0.000 0.306 474 W C 1.679 178.103 176.519 -0.158 0.000 1.217 474 W CA 1.952 59.242 57.345 -0.092 0.000 1.257 474 W CB -0.254 29.157 29.460 -0.081 0.000 1.145 474 W HN 0.121 nan 8.180 nan 0.000 0.509 475 I N 1.242 121.827 120.570 0.025 0.000 2.179 475 I HA -0.368 3.807 4.170 0.010 0.000 0.242 475 I C 2.508 178.400 176.117 -0.376 0.000 1.088 475 I CA 1.673 62.826 61.300 -0.245 0.000 1.357 475 I CB -0.699 37.215 38.000 -0.144 0.000 1.051 475 I HN -0.067 nan 8.210 nan 0.000 0.409 476 K N 0.296 120.495 120.400 -0.335 0.000 2.074 476 K HA -0.176 4.150 4.320 0.010 0.000 0.209 476 K C 2.267 178.719 176.600 -0.247 0.000 1.048 476 K CA 1.632 57.751 56.287 -0.281 0.000 0.926 476 K CB -0.676 31.642 32.500 -0.304 0.000 0.713 476 K HN 0.209 nan 8.250 nan 0.000 0.444 477 S N 0.983 116.503 115.700 -0.300 0.000 2.343 477 S HA -0.111 4.365 4.470 0.010 0.000 0.219 477 S C 2.158 176.528 174.600 -0.384 0.000 1.033 477 S CA 1.492 59.512 58.200 -0.300 0.000 1.014 477 S CB -0.262 62.750 63.200 -0.313 0.000 0.915 477 S HN 0.352 nan 8.310 nan 0.000 0.435 478 V N 0.612 120.133 119.914 -0.654 0.000 2.548 478 V HA 0.042 4.168 4.120 0.010 0.000 0.249 478 V C 0.371 176.223 176.094 -0.404 0.000 1.055 478 V CA 2.073 64.000 62.300 -0.623 0.000 1.065 478 V CB -0.236 31.017 31.823 -0.950 0.000 0.681 478 V HN 0.470 nan 8.190 nan 0.000 0.462 479 D N -0.103 120.092 120.400 -0.342 0.000 2.468 479 D HA 0.394 5.040 4.640 0.010 0.000 0.272 479 D C -1.754 174.518 176.300 -0.047 0.000 1.221 479 D CA -1.728 52.184 54.000 -0.147 0.000 0.860 479 D CB 1.412 42.183 40.800 -0.049 0.000 1.190 479 D HN 0.217 nan 8.370 nan 0.000 0.509 480 P HA -0.150 nan 4.420 nan 0.000 0.221 480 P C 1.432 178.743 177.300 0.017 0.000 1.145 480 P CA 0.757 63.837 63.100 -0.032 0.000 0.795 480 P CB 0.054 31.730 31.700 -0.040 0.000 0.775 481 S N -1.157 114.562 115.700 0.031 0.000 2.469 481 S HA -0.097 4.379 4.470 0.010 0.000 0.238 481 S C 0.847 175.476 174.600 0.050 0.000 0.998 481 S CA 0.288 58.515 58.200 0.045 0.000 0.957 481 S CB -0.539 62.681 63.200 0.033 0.000 0.764 481 S HN 0.148 nan 8.310 nan 0.000 0.514 482 R N 0.492 121.040 120.500 0.080 0.000 2.740 482 R HA 0.582 4.928 4.340 0.010 0.000 0.273 482 R C -3.342 173.024 176.300 0.110 0.000 0.998 482 R CA -2.252 53.875 56.100 0.045 0.000 0.900 482 R CB 1.289 31.520 30.300 -0.116 0.000 1.223 482 R HN 0.109 nan 8.270 nan 0.000 0.466 483 P HA 0.204 nan 4.420 nan 0.000 0.284 483 P C -0.678 176.721 177.300 0.164 0.000 1.253 483 P CA -0.557 62.603 63.100 0.099 0.000 0.800 483 P CB 1.035 32.776 31.700 0.068 0.000 0.961 484 V N 3.573 123.599 119.914 0.186 0.000 2.617 484 V HA 0.430 4.556 4.120 0.010 0.000 0.298 484 V C 0.340 176.590 176.094 0.260 0.000 1.048 484 V CA -0.217 62.237 62.300 0.257 0.000 0.964 484 V CB 1.068 33.024 31.823 0.222 0.000 1.004 484 V HN 0.639 nan 8.190 nan 0.000 0.466 485 Q N 2.974 122.914 119.800 0.233 0.000 2.389 485 Q HA 0.761 5.107 4.340 0.010 0.000 0.277 485 Q C -1.563 174.567 176.000 0.217 0.000 1.082 485 Q CA -0.898 55.006 55.803 0.169 0.000 0.810 485 Q CB 2.503 31.284 28.738 0.073 0.000 1.374 485 Q HN 0.684 nan 8.270 nan 0.000 0.422 486 Y N 0.432 120.719 120.300 -0.022 0.000 2.442 486 Y HA 0.237 4.792 4.550 0.008 0.000 0.330 486 Y C -0.148 175.666 175.900 -0.144 0.000 1.100 486 Y CA -0.624 57.425 58.100 -0.085 0.000 1.034 486 Y CB 2.286 40.691 38.460 -0.092 0.000 1.285 486 Y HN 0.956 nan 8.280 nan 0.000 0.440 487 E N 3.585 123.277 120.200 -0.848 0.000 2.230 487 E HA 0.099 4.455 4.350 0.010 0.000 0.192 487 E C 0.664 176.810 176.600 -0.756 0.000 0.987 487 E CA 0.664 56.669 56.400 -0.657 0.000 0.841 487 E CB 0.150 29.590 29.700 -0.433 0.000 0.783 487 E HN 0.917 nan 8.360 nan 0.000 0.481 488 G N 0.385 108.298 108.800 -1.478 0.000 2.257 488 G HA2 0.133 4.099 3.960 0.010 0.000 0.235 488 G HA3 0.133 4.099 3.960 0.010 0.000 0.235 488 G C 0.706 175.468 174.900 -0.229 0.000 1.225 488 G CA 0.357 45.012 45.100 -0.742 0.000 0.878 488 G HN 0.345 nan 8.290 nan 0.000 0.505 489 G N 0.428 109.181 108.800 -0.077 0.000 2.372 489 G HA2 0.249 4.215 3.960 0.010 0.000 0.297 489 G HA3 0.249 4.215 3.960 0.010 0.000 0.297 489 G C 1.326 176.235 174.900 0.015 0.000 1.005 489 G CA 1.062 46.178 45.100 0.027 0.000 1.173 489 G HN 2.615 nan 8.290 nan 0.000 0.511 490 G N -0.791 108.010 108.800 0.001 0.000 2.218 490 G HA2 0.331 4.297 3.960 0.010 0.000 0.216 490 G HA3 0.331 4.297 3.960 0.010 0.000 0.216 490 G C 1.195 176.210 174.900 0.192 0.000 0.994 490 G CA 1.289 46.451 45.100 0.104 0.000 0.637 490 G HN 2.492 nan 8.290 nan 0.000 0.505 491 A N -0.212 122.601 122.820 -0.013 0.000 2.979 491 A HA 0.005 4.331 4.320 0.010 0.000 0.260 491 A C 1.063 178.580 177.584 -0.111 0.000 1.282 491 A CA 2.574 54.542 52.037 -0.115 0.000 0.971 491 A CB -1.781 17.129 19.000 -0.150 0.000 1.124 491 A HN 2.233 nan 8.150 nan 0.000 0.826 492 D N -1.935 118.469 120.400 0.007 0.000 2.755 492 D HA 0.179 4.825 4.640 0.010 0.000 0.293 492 D C 0.319 176.626 176.300 0.012 0.000 1.642 492 D CA 0.858 54.876 54.000 0.029 0.000 0.825 492 D CB -1.431 39.507 40.800 0.229 0.000 1.303 492 D HN 0.895 nan 8.370 nan 0.000 0.434 493 T N -1.607 112.896 114.554 -0.085 0.000 2.619 493 T HA 0.156 4.512 4.350 0.010 0.000 0.330 493 T C 1.652 176.234 174.700 -0.197 0.000 1.037 493 T CA 0.868 62.859 62.100 -0.182 0.000 1.005 493 T CB 0.430 68.968 68.868 -0.550 0.000 1.084 493 T HN 0.078 nan 8.240 nan 0.000 0.521 494 T N -2.313 112.114 114.554 -0.212 0.000 3.085 494 T HA 0.221 4.577 4.350 0.010 0.000 0.263 494 T C 1.747 176.175 174.700 -0.454 0.000 1.127 494 T CA 0.312 62.282 62.100 -0.217 0.000 1.103 494 T CB -0.476 68.332 68.868 -0.099 0.000 0.921 494 T HN 0.814 nan 8.240 nan 0.000 0.510 495 A N 0.584 123.142 122.820 -0.436 0.000 2.302 495 A HA 0.450 4.775 4.320 0.010 0.000 0.219 495 A C 0.944 178.373 177.584 -0.257 0.000 1.243 495 A CA -0.104 51.662 52.037 -0.452 0.000 0.856 495 A CB -0.216 18.716 19.000 -0.113 0.000 0.893 495 A HN 0.422 nan 8.150 nan 0.000 0.491 496 T N -1.892 112.525 114.554 -0.229 0.000 2.903 496 T HA 0.434 4.790 4.350 0.010 0.000 0.299 496 T C -0.577 174.157 174.700 0.057 0.000 1.093 496 T CA -0.445 61.662 62.100 0.013 0.000 1.002 496 T CB 1.505 70.365 68.868 -0.014 0.000 1.127 496 T HN 0.070 nan 8.240 nan 0.000 0.488 497 D N 1.645 122.132 120.400 0.145 0.000 2.417 497 D HA 0.370 5.016 4.640 0.010 0.000 0.207 497 D C 0.101 176.429 176.300 0.046 0.000 1.075 497 D CA 0.445 54.520 54.000 0.126 0.000 0.851 497 D CB 0.608 41.506 40.800 0.164 0.000 0.976 497 D HN 0.457 nan 8.370 nan 0.000 0.505 498 I N 1.057 121.633 120.570 0.011 0.000 2.608 498 I HA 0.285 4.461 4.170 0.010 0.000 0.295 498 I C -0.356 175.692 176.117 -0.114 0.000 1.049 498 I CA -0.922 60.350 61.300 -0.047 0.000 1.063 498 I CB 2.932 40.911 38.000 -0.034 0.000 1.248 498 I HN -0.342 nan 8.210 nan 0.000 0.424 499 I N 5.472 125.931 120.570 -0.184 0.000 2.363 499 I HA 0.114 4.290 4.170 0.010 0.000 0.292 499 I C 0.170 176.073 176.117 -0.356 0.000 1.075 499 I CA -0.197 60.895 61.300 -0.347 0.000 1.333 499 I CB 0.151 37.841 38.000 -0.516 0.000 1.415 499 I HN 0.630 nan 8.210 nan 0.000 0.502 500 C N 5.370 124.466 119.300 -0.339 0.000 3.276 500 C HA 0.502 4.968 4.460 0.010 0.000 0.226 500 C C -2.248 172.588 174.990 -0.256 0.000 1.502 500 C CA -2.378 56.487 59.018 -0.254 0.000 1.488 500 C CB -0.941 26.705 27.740 -0.157 0.000 2.014 500 C HN 0.404 nan 8.230 nan 0.000 0.492 501 P HA 0.215 nan 4.420 nan 0.000 0.271 501 P C -0.210 177.042 177.300 -0.079 0.000 1.244 501 P CA 0.309 63.324 63.100 -0.142 0.000 0.793 501 P CB 0.543 32.233 31.700 -0.016 0.000 0.984 502 M N 1.322 120.910 119.600 -0.021 0.000 2.125 502 M HA 0.375 4.861 4.480 0.010 0.000 0.321 502 M C -1.079 175.248 176.300 0.046 0.000 0.983 502 M CA -0.558 54.651 55.300 -0.150 0.000 0.934 502 M CB 0.809 33.324 32.600 -0.142 0.000 1.542 502 M HN 0.384 nan 8.290 nan 0.000 0.424 503 Y N 0.378 120.851 120.300 0.287 0.000 4.032 503 Y HA -0.188 4.368 4.550 0.010 0.000 0.230 503 Y C 0.255 176.339 175.900 0.307 0.000 1.202 503 Y CA 0.544 58.827 58.100 0.304 0.000 1.878 503 Y CB -2.244 36.390 38.460 0.291 0.000 1.586 503 Y HN 0.931 nan 8.280 nan 0.000 0.673 504 A N 0.524 123.568 122.820 0.375 0.000 2.331 504 A HA 0.733 5.059 4.320 0.010 0.000 0.283 504 A C 0.438 178.243 177.584 0.369 0.000 1.142 504 A CA -0.646 51.613 52.037 0.370 0.000 0.812 504 A CB 0.533 19.788 19.000 0.426 0.000 1.074 504 A HN 0.252 nan 8.150 nan 0.000 0.497 505 R N 1.445 122.095 120.500 0.251 0.000 2.539 505 R HA 0.335 4.681 4.340 0.010 0.000 0.275 505 R C 1.301 177.601 176.300 0.000 0.000 1.077 505 R CA -0.605 55.567 56.100 0.120 0.000 1.097 505 R CB 0.401 30.746 30.300 0.074 0.000 1.018 505 R HN 0.468 nan 8.270 nan 0.000 0.483 506 V N 1.365 121.121 119.914 -0.264 0.000 2.233 506 V HA -0.242 3.884 4.120 0.010 0.000 0.247 506 V C 1.143 177.140 176.094 -0.161 0.000 1.050 506 V CA 2.119 64.225 62.300 -0.322 0.000 1.010 506 V CB -0.219 31.286 31.823 -0.530 0.000 0.637 506 V HN 0.693 nan 8.190 nan 0.000 0.444 507 D N -1.194 119.130 120.400 -0.127 0.000 2.380 507 D HA 0.061 4.707 4.640 0.010 0.000 0.212 507 D C 1.013 177.304 176.300 -0.016 0.000 1.021 507 D CA 0.117 54.077 54.000 -0.067 0.000 0.884 507 D CB 0.458 41.219 40.800 -0.066 0.000 1.001 507 D HN 0.640 nan 8.370 nan 0.000 0.506 508 E N 1.752 121.948 120.200 -0.006 0.000 2.231 508 E HA 0.165 4.521 4.350 0.010 0.000 0.277 508 E C -0.885 175.736 176.600 0.035 0.000 0.999 508 E CA -0.561 55.847 56.400 0.014 0.000 0.827 508 E CB 1.431 31.135 29.700 0.007 0.000 1.101 508 E HN -0.244 nan 8.360 nan 0.000 0.393 509 D N 2.951 123.372 120.400 0.036 0.000 2.283 509 D HA 0.165 4.811 4.640 0.010 0.000 0.248 509 D C -0.614 175.607 176.300 -0.131 0.000 1.072 509 D CA -0.069 53.958 54.000 0.045 0.000 0.929 509 D CB 1.234 42.148 40.800 0.190 0.000 1.182 509 D HN 0.413 nan 8.370 nan 0.000 0.433 510 Q N 1.034 120.634 119.800 -0.335 0.000 3.090 510 Q HA 0.217 4.562 4.340 0.010 0.000 0.241 510 Q C -2.132 173.210 176.000 -1.097 0.000 0.958 510 Q CA -1.388 53.952 55.803 -0.771 0.000 0.715 510 Q CB 2.294 30.506 28.738 -0.877 0.000 1.298 510 Q HN 0.189 nan 8.270 nan 0.000 0.468 511 P HA -0.129 nan 4.420 nan 0.000 0.285 511 P C -0.525 176.518 177.300 -0.429 0.000 1.521 511 P CA 0.116 62.895 63.100 -0.536 0.000 0.792 511 P CB -0.557 31.011 31.700 -0.220 0.000 1.613 512 F N 1.613 121.425 119.950 -0.230 0.000 2.650 512 F HA 0.013 4.545 4.527 0.009 0.000 0.355 512 F C -1.032 174.669 175.800 -0.165 0.000 1.163 512 F CA -1.942 55.959 58.000 -0.165 0.000 1.374 512 F CB -1.188 37.724 39.000 -0.147 0.000 1.065 512 F HN 0.010 nan 8.300 nan 0.000 0.616 513 P HA 0.159 nan 4.420 nan 0.000 0.271 513 P C 0.339 177.648 177.300 0.014 0.000 1.216 513 P CA 0.930 64.049 63.100 0.031 0.000 0.776 513 P CB 1.294 33.009 31.700 0.025 0.000 0.881 514 A N 2.809 125.627 122.820 -0.002 0.000 2.070 514 A HA -0.246 4.079 4.320 0.010 0.000 0.231 514 A C 0.669 178.242 177.584 -0.017 0.000 0.501 514 A CA 2.003 54.038 52.037 -0.003 0.000 1.119 514 A CB -2.682 16.316 19.000 -0.004 0.000 1.430 514 A HN 0.735 nan 8.150 nan 0.000 0.706 515 V N -3.195 116.702 119.914 -0.030 0.000 2.464 515 V HA 0.585 4.711 4.120 0.010 0.000 0.255 515 V C -2.497 173.567 176.094 -0.051 0.000 0.946 515 V CA -1.184 61.089 62.300 -0.046 0.000 0.988 515 V CB 0.649 32.452 31.823 -0.034 0.000 1.210 515 V HN 0.503 nan 8.190 nan 0.000 0.523 516 P HA 0.303 nan 4.420 nan 0.000 0.272 516 P C -0.590 176.326 177.300 -0.639 0.000 1.240 516 P CA 0.013 62.816 63.100 -0.495 0.000 0.791 516 P CB 1.002 31.976 31.700 -1.209 0.000 0.978 517 K N 1.686 121.784 120.400 -0.503 0.000 2.404 517 K HA 0.217 4.542 4.320 0.010 0.000 0.257 517 K C -0.661 175.671 176.600 -0.448 0.000 1.026 517 K CA -0.270 55.844 56.287 -0.287 0.000 0.951 517 K CB 0.412 33.043 32.500 0.219 0.000 1.203 517 K HN 0.490 nan 8.250 nan 0.000 0.446 518 W N 1.529 122.559 121.300 -0.450 0.000 2.215 518 W HA 0.098 4.764 4.660 0.010 0.000 0.342 518 W C 1.198 177.744 176.519 0.044 0.000 1.237 518 W CA -0.875 56.306 57.345 -0.273 0.000 1.283 518 W CB 0.580 29.773 29.460 -0.445 0.000 1.131 518 W HN 0.432 nan 8.180 nan 0.000 0.606 519 S N 2.658 118.542 115.700 0.306 0.000 2.558 519 S HA -0.048 4.427 4.470 0.010 0.000 0.288 519 S C 1.033 175.787 174.600 0.257 0.000 1.318 519 S CA -0.275 58.044 58.200 0.197 0.000 1.056 519 S CB 0.337 63.584 63.200 0.078 0.000 0.853 519 S HN 0.580 nan 8.310 nan 0.000 0.505 520 I N 0.497 121.182 120.570 0.192 0.000 2.335 520 I HA -0.201 3.975 4.170 0.010 0.000 0.251 520 I C 1.914 178.083 176.117 0.086 0.000 1.129 520 I CA 1.248 62.660 61.300 0.186 0.000 1.402 520 I CB -0.591 37.475 38.000 0.110 0.000 1.069 520 I HN 0.649 nan 8.210 nan 0.000 0.424 521 K N 2.264 122.629 120.400 -0.060 0.000 2.211 521 K HA -0.154 4.172 4.320 0.010 0.000 0.203 521 K C 2.115 178.794 176.600 0.131 0.000 1.050 521 K CA 1.720 57.952 56.287 -0.091 0.000 0.945 521 K CB -0.322 32.017 32.500 -0.269 0.000 0.732 521 K HN 0.622 nan 8.250 nan 0.000 0.451 522 K N 0.194 120.662 120.400 0.114 0.000 2.166 522 K HA -0.087 4.238 4.320 0.010 0.000 0.201 522 K C 1.845 178.514 176.600 0.114 0.000 1.052 522 K CA 0.067 56.397 56.287 0.071 0.000 0.969 522 K CB -0.193 32.278 32.500 -0.048 0.000 0.761 522 K HN 0.082 nan 8.250 nan 0.000 0.459 523 W N 2.717 124.035 121.300 0.031 0.000 2.304 523 W HA -0.209 4.455 4.660 0.007 0.000 0.315 523 W C 1.799 178.340 176.519 0.037 0.000 1.233 523 W CA 1.335 58.723 57.345 0.071 0.000 1.261 523 W CB -0.660 28.924 29.460 0.207 0.000 1.150 523 W HN 0.089 nan 8.180 nan 0.000 0.494 524 L N 0.639 122.039 121.223 0.294 0.000 1.997 524 L HA -0.325 4.021 4.340 0.010 0.000 0.216 524 L C 2.459 179.408 176.870 0.132 0.000 1.074 524 L CA 2.429 57.375 54.840 0.176 0.000 0.763 524 L CB -1.379 40.785 42.059 0.176 0.000 0.890 524 L HN 0.003 nan 8.230 nan 0.000 0.434 525 S N -1.093 114.670 115.700 0.105 0.000 2.603 525 S HA 0.113 4.588 4.470 0.010 0.000 0.220 525 S C 0.764 175.366 174.600 0.004 0.000 0.967 525 S CA -0.299 57.927 58.200 0.044 0.000 0.920 525 S CB -0.643 62.575 63.200 0.029 0.000 0.773 525 S HN 0.204 nan 8.310 nan 0.000 0.529 526 L N 2.523 123.751 121.223 0.008 0.000 2.525 526 L HA 0.178 4.524 4.340 0.010 0.000 0.278 526 L C -2.165 174.696 176.870 -0.015 0.000 1.218 526 L CA -1.632 53.173 54.840 -0.058 0.000 0.878 526 L CB -0.222 41.800 42.059 -0.060 0.000 1.127 526 L HN 0.066 nan 8.230 nan 0.000 0.492 527 P HA -0.036 nan 4.420 nan 0.000 0.261 527 P C 0.799 178.106 177.300 0.012 0.000 1.173 527 P CA 1.055 64.146 63.100 -0.015 0.000 0.760 527 P CB 0.600 32.286 31.700 -0.024 0.000 0.783 528 G N 1.726 110.538 108.800 0.019 0.000 2.336 528 G HA2 -0.278 3.688 3.960 0.010 0.000 0.233 528 G HA3 -0.278 3.688 3.960 0.010 0.000 0.233 528 G C 0.358 175.285 174.900 0.045 0.000 1.053 528 G CA 0.177 45.296 45.100 0.032 0.000 0.625 528 G HN 0.640 nan 8.290 nan 0.000 0.511 529 E N 1.251 121.488 120.200 0.062 0.000 2.442 529 E HA 0.482 4.838 4.350 0.010 0.000 0.262 529 E C 1.495 178.127 176.600 0.052 0.000 1.004 529 E CA 1.373 57.820 56.400 0.078 0.000 0.928 529 E CB 0.681 30.461 29.700 0.133 0.000 0.937 529 E HN 0.771 nan 8.360 nan 0.000 0.446 530 T N 0.231 114.811 114.554 0.045 0.000 3.123 530 T HA 0.257 4.613 4.350 0.010 0.000 0.266 530 T C 0.642 175.354 174.700 0.020 0.000 0.873 530 T CA -0.479 61.638 62.100 0.030 0.000 0.854 530 T CB -0.002 68.882 68.868 0.027 0.000 1.254 530 T HN 0.270 nan 8.240 nan 0.000 0.570 531 R N 2.294 122.803 120.500 0.015 0.000 2.774 531 R HA 0.469 4.815 4.340 0.010 0.000 0.269 531 R C -2.592 173.693 176.300 -0.025 0.000 1.068 531 R CA -1.464 54.632 56.100 -0.006 0.000 1.180 531 R CB 0.192 30.481 30.300 -0.019 0.000 1.077 531 R HN 0.240 nan 8.270 nan 0.000 0.513 532 P HA 0.164 nan 4.420 nan 0.000 0.279 532 P C -1.241 175.995 177.300 -0.107 0.000 1.252 532 P CA -0.283 62.781 63.100 -0.059 0.000 0.811 532 P CB 0.745 32.411 31.700 -0.055 0.000 1.035 533 L N 2.787 123.935 121.223 -0.124 0.000 2.341 533 L HA 0.615 4.961 4.340 0.010 0.000 0.278 533 L C -1.055 175.689 176.870 -0.209 0.000 1.005 533 L CA -0.574 54.157 54.840 -0.181 0.000 0.818 533 L CB 0.712 42.665 42.059 -0.177 0.000 1.259 533 L HN 0.234 nan 8.230 nan 0.000 0.418 534 I N 5.382 125.823 120.570 -0.215 0.000 2.571 534 I HA 0.203 4.379 4.170 0.010 0.000 0.286 534 I C -0.946 175.060 176.117 -0.185 0.000 1.134 534 I CA -0.539 60.620 61.300 -0.234 0.000 1.052 534 I CB 2.055 39.967 38.000 -0.147 0.000 1.237 534 I HN 0.412 nan 8.210 nan 0.000 0.435 535 L N 5.873 126.938 121.223 -0.264 0.000 2.597 535 L HA -0.012 4.334 4.340 0.010 0.000 0.271 535 L C 1.480 178.365 176.870 0.024 0.000 1.157 535 L CA 0.236 54.966 54.840 -0.184 0.000 0.928 535 L CB 0.485 42.347 42.059 -0.328 0.000 1.216 535 L HN 0.915 nan 8.230 nan 0.000 0.481 536 C N 0.952 120.268 119.300 0.027 0.000 2.448 536 C HA 0.125 4.591 4.460 0.010 0.000 0.280 536 C C 0.643 175.761 174.990 0.214 0.000 1.398 536 C CA -0.175 58.914 59.018 0.117 0.000 1.774 536 C CB -0.938 26.787 27.740 -0.025 0.000 1.888 536 C HN 0.791 nan 8.230 nan 0.000 0.519 537 E N -0.894 119.360 120.200 0.090 0.000 2.335 537 E HA 0.593 4.948 4.350 0.010 0.000 0.280 537 E C -1.451 175.045 176.600 -0.173 0.000 0.918 537 E CA -0.380 56.058 56.400 0.063 0.000 0.765 537 E CB 2.026 31.634 29.700 -0.154 0.000 1.218 537 E HN 0.679 nan 8.360 nan 0.000 0.425 538 Y N -1.120 119.067 120.300 -0.189 0.000 2.662 538 Y HA 0.545 5.102 4.550 0.011 0.000 0.334 538 Y C -0.775 175.235 175.900 0.182 0.000 1.185 538 Y CA -0.608 57.416 58.100 -0.126 0.000 1.074 538 Y CB 0.912 39.206 38.460 -0.276 0.000 1.330 538 Y HN 0.718 nan 8.280 nan 0.000 0.458 539 A N 2.041 124.898 122.820 0.061 0.000 2.648 539 A HA -0.269 4.057 4.320 0.010 0.000 0.297 539 A C -0.298 177.429 177.584 0.237 0.000 1.467 539 A CA 0.977 53.044 52.037 0.051 0.000 0.731 539 A CB -2.617 16.235 19.000 -0.247 0.000 1.085 539 A HN 1.171 nan 8.150 nan 0.000 0.437 540 H N 0.243 119.530 119.070 0.361 0.000 3.342 540 H HA 0.213 4.775 4.556 0.010 0.000 0.233 540 H C 1.002 176.430 175.328 0.167 0.000 0.967 540 H CA 0.846 57.126 56.048 0.388 0.000 1.404 540 H CB 0.083 30.002 29.762 0.261 0.000 1.560 540 H HN 0.873 nan 8.280 nan 0.000 0.510 541 A N 7.130 129.900 122.820 -0.083 0.000 3.056 541 A HA 0.137 4.463 4.320 0.010 0.000 0.274 541 A C 0.559 177.981 177.584 -0.270 0.000 1.661 541 A CA -0.425 51.508 52.037 -0.174 0.000 1.363 541 A CB -0.527 18.344 19.000 -0.215 0.000 1.139 541 A HN 0.801 nan 8.150 nan 0.000 0.598 542 M N 2.886 122.329 119.600 -0.261 0.000 2.047 542 M HA 0.514 5.000 4.480 0.010 0.000 0.342 542 M C 0.746 176.888 176.300 -0.263 0.000 1.058 542 M CA 0.951 56.091 55.300 -0.266 0.000 0.991 542 M CB 0.238 32.689 32.600 -0.249 0.000 1.474 542 M HN 1.061 nan 8.290 nan 0.000 0.419 543 G N 4.316 112.956 108.800 -0.267 0.000 2.556 543 G HA2 -0.342 3.624 3.960 0.010 0.000 0.283 543 G HA3 -0.342 3.624 3.960 0.010 0.000 0.283 543 G C -0.015 174.431 174.900 -0.758 0.000 1.177 543 G CA 0.186 44.980 45.100 -0.511 0.000 0.978 543 G HN 0.807 nan 8.290 nan 0.000 0.554 544 N N 1.757 119.890 118.700 -0.944 0.000 2.892 544 N HA 0.380 5.125 4.740 0.010 0.000 0.300 544 N C 0.287 175.556 175.510 -0.402 0.000 1.211 544 N CA 1.086 53.712 53.050 -0.706 0.000 1.158 544 N CB -0.097 37.995 38.487 -0.657 0.000 1.455 544 N HN 0.639 nan 8.380 nan 0.000 0.524 545 S N 0.712 116.248 115.700 -0.273 0.000 2.753 545 S HA 0.598 5.074 4.470 0.010 0.000 0.302 545 S C 0.747 175.276 174.600 -0.118 0.000 1.104 545 S CA -0.363 57.735 58.200 -0.171 0.000 0.968 545 S CB 0.447 63.573 63.200 -0.123 0.000 1.278 545 S HN 0.404 nan 8.310 nan 0.000 0.549 546 L N -0.379 120.811 121.223 -0.055 0.000 4.586 546 L HA -0.078 4.268 4.340 0.010 0.000 0.401 546 L C 0.591 177.486 176.870 0.043 0.000 0.854 546 L CA 0.642 55.476 54.840 -0.011 0.000 1.918 546 L CB -1.740 40.249 42.059 -0.117 0.000 1.631 546 L HN 0.704 nan 8.230 nan 0.000 0.579 547 G N -0.899 107.892 108.800 -0.016 0.000 2.365 547 G HA2 0.457 4.423 3.960 0.010 0.000 0.249 547 G HA3 0.457 4.423 3.960 0.010 0.000 0.249 547 G C 1.220 176.127 174.900 0.011 0.000 1.288 547 G CA 0.202 45.267 45.100 -0.059 0.000 0.887 547 G HN 1.227 nan 8.290 nan 0.000 0.524 548 G N 1.682 110.481 108.800 -0.002 0.000 2.194 548 G HA2 -0.308 3.657 3.960 0.010 0.000 0.236 548 G HA3 -0.308 3.657 3.960 0.010 0.000 0.236 548 G C 1.086 176.126 174.900 0.232 0.000 0.987 548 G CA 0.733 45.873 45.100 0.068 0.000 0.635 548 G HN 0.780 nan 8.290 nan 0.000 0.520 549 F N 2.064 122.116 119.950 0.169 0.000 2.087 549 F HA 0.007 4.541 4.527 0.010 0.000 0.299 549 F C 2.787 178.808 175.800 0.369 0.000 1.100 549 F CA 3.027 61.206 58.000 0.299 0.000 1.226 549 F CB -0.510 38.594 39.000 0.173 0.000 0.983 549 F HN 0.397 nan 8.300 nan 0.000 0.479 550 A N -0.235 122.748 122.820 0.271 0.000 1.873 550 A HA -0.319 4.006 4.320 0.010 0.000 0.218 550 A C 2.189 179.796 177.584 0.038 0.000 1.193 550 A CA 2.166 54.304 52.037 0.170 0.000 0.629 550 A CB -1.018 18.074 19.000 0.154 0.000 0.826 550 A HN 0.411 nan 8.150 nan 0.000 0.447 551 K N -1.370 119.025 120.400 -0.008 0.000 2.097 551 K HA -0.256 4.070 4.320 0.010 0.000 0.214 551 K C 1.717 178.102 176.600 -0.357 0.000 1.052 551 K CA 2.373 58.572 56.287 -0.147 0.000 0.932 551 K CB -0.556 31.840 32.500 -0.172 0.000 0.716 551 K HN 0.622 nan 8.250 nan 0.000 0.455 552 Y N -1.371 118.675 120.300 -0.423 0.000 2.089 552 Y HA -0.254 4.302 4.550 0.009 0.000 0.282 552 Y C 2.085 177.106 175.900 -1.464 0.000 1.139 552 Y CA 1.801 59.325 58.100 -0.960 0.000 1.123 552 Y CB -0.454 37.433 38.460 -0.954 0.000 0.980 552 Y HN 0.192 nan 8.280 nan 0.000 0.493 553 W N 0.697 121.595 121.300 -0.670 0.000 2.341 553 W HA -0.275 4.392 4.660 0.011 0.000 0.283 553 W C 2.645 179.005 176.519 -0.266 0.000 1.215 553 W CA 2.039 59.129 57.345 -0.424 0.000 1.211 553 W CB -0.640 28.677 29.460 -0.237 0.000 1.131 553 W HN 0.273 nan 8.180 nan 0.000 0.552 554 Q N 0.306 119.995 119.800 -0.185 0.000 2.020 554 Q HA -0.144 4.202 4.340 0.010 0.000 0.198 554 Q C 2.336 178.251 176.000 -0.142 0.000 0.974 554 Q CA 2.185 57.930 55.803 -0.096 0.000 0.829 554 Q CB -0.662 28.047 28.738 -0.049 0.000 0.894 554 Q HN 0.093 nan 8.270 nan 0.000 0.433 555 A N 0.733 123.374 122.820 -0.299 0.000 1.865 555 A HA -0.177 4.149 4.320 0.010 0.000 0.217 555 A C 1.965 179.470 177.584 -0.131 0.000 1.191 555 A CA 1.599 53.457 52.037 -0.298 0.000 0.623 555 A CB -1.358 17.349 19.000 -0.489 0.000 0.826 555 A HN 0.611 nan 8.150 nan 0.000 0.444 556 F N -0.480 119.279 119.950 -0.317 0.000 2.063 556 F HA -0.339 4.194 4.527 0.009 0.000 0.298 556 F C 2.785 178.481 175.800 -0.173 0.000 1.105 556 F CA 1.658 59.437 58.000 -0.369 0.000 1.215 556 F CB -0.298 38.246 39.000 -0.760 0.000 0.972 556 F HN 0.175 nan 8.300 nan 0.000 0.483 557 R N -0.205 120.352 120.500 0.096 0.000 2.115 557 R HA -0.166 4.180 4.340 0.010 0.000 0.230 557 R C 2.170 178.526 176.300 0.094 0.000 1.111 557 R CA 1.169 57.321 56.100 0.086 0.000 0.976 557 R CB -0.380 29.971 30.300 0.085 0.000 0.870 557 R HN 0.442 nan 8.270 nan 0.000 0.445 558 Q N -0.468 119.414 119.800 0.138 0.000 2.123 558 Q HA -0.041 4.305 4.340 0.010 0.000 0.196 558 Q C -0.340 175.805 176.000 0.242 0.000 0.958 558 Q CA 0.818 56.737 55.803 0.194 0.000 0.841 558 Q CB 0.371 29.265 28.738 0.261 0.000 0.915 558 Q HN 0.180 nan 8.270 nan 0.000 0.455 559 Y N 0.702 120.995 120.300 -0.011 0.000 2.404 559 Y HA 0.153 4.708 4.550 0.010 0.000 0.344 559 Y C -1.626 174.260 175.900 -0.022 0.000 0.995 559 Y CA -2.767 55.326 58.100 -0.012 0.000 1.201 559 Y CB 0.682 39.140 38.460 -0.004 0.000 1.151 559 Y HN 0.173 nan 8.280 nan 0.000 0.517 560 P HA -0.183 nan 4.420 nan 0.000 0.216 560 P C 1.002 178.312 177.300 0.017 0.000 1.153 560 P CA 1.877 64.986 63.100 0.015 0.000 0.858 560 P CB 0.298 31.985 31.700 -0.021 0.000 0.789 561 R N -1.186 119.341 120.500 0.045 0.000 2.323 561 R HA 0.133 4.479 4.340 0.010 0.000 0.198 561 R C 0.445 176.745 176.300 -0.000 0.000 0.988 561 R CA 0.067 56.180 56.100 0.022 0.000 1.041 561 R CB -0.422 29.894 30.300 0.028 0.000 0.926 561 R HN 0.239 nan 8.270 nan 0.000 0.476 562 L N 2.016 123.255 121.223 0.027 0.000 2.288 562 L HA 0.163 4.509 4.340 0.010 0.000 0.283 562 L C 0.487 177.232 176.870 -0.209 0.000 1.072 562 L CA 0.054 54.867 54.840 -0.044 0.000 0.862 562 L CB 1.203 43.315 42.059 0.088 0.000 1.245 562 L HN 0.115 nan 8.230 nan 0.000 0.432 563 Q N 2.772 122.377 119.800 -0.324 0.000 2.201 563 Q HA 0.329 4.674 4.340 0.010 0.000 0.217 563 Q C 0.780 176.406 176.000 -0.623 0.000 0.860 563 Q CA 0.036 55.612 55.803 -0.378 0.000 0.984 563 Q CB 1.058 29.660 28.738 -0.227 0.000 1.095 563 Q HN 0.907 nan 8.270 nan 0.000 0.477 564 G N -0.325 107.756 108.800 -1.199 0.000 2.466 564 G HA2 0.123 4.089 3.960 0.010 0.000 0.316 564 G HA3 0.123 4.089 3.960 0.010 0.000 0.316 564 G C -0.480 173.580 174.900 -1.401 0.000 1.270 564 G CA -0.768 43.317 45.100 -1.692 0.000 0.982 564 G HN 0.482 nan 8.290 nan 0.000 0.506 565 G N -2.091 106.085 108.800 -1.041 0.000 2.548 565 G HA2 0.726 4.692 3.960 0.010 0.000 0.301 565 G HA3 0.726 4.692 3.960 0.010 0.000 0.301 565 G C -1.790 172.880 174.900 -0.383 0.000 1.349 565 G CA -0.575 44.087 45.100 -0.729 0.000 0.792 565 G HN 0.975 nan 8.290 nan 0.000 0.481 566 F N 0.212 120.310 119.950 0.246 0.000 2.458 566 F HA 0.578 5.111 4.527 0.009 0.000 0.336 566 F C 0.642 176.757 175.800 0.525 0.000 1.114 566 F CA -0.670 57.547 58.000 0.361 0.000 0.987 566 F CB 2.304 41.430 39.000 0.209 0.000 1.130 566 F HN 0.224 nan 8.300 nan 0.000 0.458 567 V N 2.563 122.767 119.914 0.484 0.000 2.953 567 V HA 0.099 4.224 4.120 0.010 0.000 0.304 567 V C -0.626 175.615 176.094 0.244 0.000 1.073 567 V CA -0.739 61.709 62.300 0.247 0.000 1.064 567 V CB 1.557 33.463 31.823 0.138 0.000 1.047 567 V HN 0.737 nan 8.190 nan 0.000 0.478 568 W N 5.742 127.153 121.300 0.186 0.000 2.336 568 W HA 0.418 5.084 4.660 0.009 0.000 0.315 568 W C -0.831 175.730 176.519 0.070 0.000 1.016 568 W CA -0.549 56.950 57.345 0.257 0.000 1.318 568 W CB 1.323 31.128 29.460 0.575 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.858 122.864 120.400 -0.655 0.000 2.837 569 D HA 0.089 4.735 4.640 0.010 0.000 0.294 569 D C 0.665 176.698 176.300 -0.445 0.000 1.158 569 D CA -0.468 52.953 54.000 -0.966 0.000 1.073 569 D CB 0.316 39.755 40.800 -2.267 0.000 1.419 569 D HN 0.437 nan 8.370 nan 0.000 0.584 570 W N 0.691 121.668 121.300 -0.538 0.000 2.408 570 W HA 0.112 4.778 4.660 0.010 0.000 0.311 570 W C -0.032 176.275 176.519 -0.353 0.000 1.190 570 W CA 1.029 58.136 57.345 -0.398 0.000 1.321 570 W CB 0.380 29.644 29.460 -0.326 0.000 1.143 570 W HN 0.129 nan 8.180 nan 0.000 0.501 571 V N 2.132 121.762 119.914 -0.473 0.000 3.040 571 V HA 0.290 4.415 4.120 0.010 0.000 0.312 571 V C -1.031 174.844 176.094 -0.366 0.000 1.115 571 V CA -0.788 61.202 62.300 -0.516 0.000 0.998 571 V CB 1.741 33.361 31.823 -0.339 0.000 1.042 571 V HN -0.146 nan 8.190 nan 0.000 0.433 572 D N 2.993 123.203 120.400 -0.318 0.000 2.424 572 D HA 0.201 4.847 4.640 0.010 0.000 0.244 572 D C 0.340 176.486 176.300 -0.257 0.000 1.134 572 D CA 0.475 54.350 54.000 -0.210 0.000 0.881 572 D CB 1.128 41.892 40.800 -0.059 0.000 1.191 572 D HN 0.570 nan 8.370 nan 0.000 0.445 573 Q N 0.819 120.413 119.800 -0.344 0.000 2.242 573 Q HA 0.078 4.423 4.340 0.010 0.000 0.246 573 Q C -0.344 175.612 176.000 -0.073 0.000 0.883 573 Q CA -0.196 55.205 55.803 -0.671 0.000 0.984 573 Q CB 0.145 28.602 28.738 -0.468 0.000 1.096 573 Q HN 0.393 nan 8.270 nan 0.000 0.452 574 S N 0.229 115.972 115.700 0.071 0.000 2.549 574 S HA 0.335 4.810 4.470 0.010 0.000 0.279 574 S C 0.116 174.860 174.600 0.240 0.000 1.321 574 S CA -0.314 58.027 58.200 0.235 0.000 1.054 574 S CB 1.204 64.521 63.200 0.194 0.000 0.899 574 S HN 0.268 nan 8.310 nan 0.000 0.497 575 L N 2.586 123.892 121.223 0.138 0.000 2.331 575 L HA 0.498 4.844 4.340 0.010 0.000 0.275 575 L C -0.055 176.719 176.870 -0.161 0.000 1.022 575 L CA -1.052 53.747 54.840 -0.068 0.000 0.812 575 L CB 1.082 42.970 42.059 -0.284 0.000 1.257 575 L HN 0.530 nan 8.230 nan 0.000 0.435 576 I N 2.791 123.214 120.570 -0.246 0.000 2.474 576 I HA 0.248 4.424 4.170 0.010 0.000 0.287 576 I C 0.091 175.851 176.117 -0.595 0.000 1.048 576 I CA -0.103 60.932 61.300 -0.441 0.000 1.383 576 I CB 1.143 38.896 38.000 -0.412 0.000 1.412 576 I HN 0.611 nan 8.210 nan 0.000 0.531 577 K N 5.864 125.628 120.400 -1.060 0.000 2.433 577 K HA 0.586 4.912 4.320 0.010 0.000 0.252 577 K C -1.623 174.202 176.600 -1.290 0.000 1.015 577 K CA -0.854 54.778 56.287 -1.092 0.000 0.860 577 K CB 2.197 33.848 32.500 -1.416 0.000 1.359 577 K HN 0.214 nan 8.250 nan 0.000 0.452 578 Y N 0.462 120.567 120.300 -0.326 0.000 2.524 578 Y HA 0.171 4.726 4.550 0.010 0.000 0.344 578 Y C 0.143 176.135 175.900 0.153 0.000 1.012 578 Y CA -0.835 57.232 58.100 -0.055 0.000 1.068 578 Y CB 1.462 39.900 38.460 -0.036 0.000 1.249 578 Y HN 0.735 nan 8.280 nan 0.000 0.468 579 D N -0.706 119.921 120.400 0.379 0.000 2.507 579 D HA 0.130 4.776 4.640 0.010 0.000 0.280 579 D C 0.840 177.246 176.300 0.176 0.000 1.219 579 D CA -0.257 53.913 54.000 0.285 0.000 1.085 579 D CB 0.535 41.459 40.800 0.208 0.000 1.134 579 D HN 0.361 nan 8.370 nan 0.000 0.583 580 E N -0.812 119.454 120.200 0.109 0.000 2.072 580 E HA -0.098 4.257 4.350 0.010 0.000 0.191 580 E C 1.202 177.839 176.600 0.062 0.000 0.985 580 E CA 0.959 57.399 56.400 0.067 0.000 0.801 580 E CB -0.465 29.258 29.700 0.038 0.000 0.750 580 E HN 0.466 nan 8.360 nan 0.000 0.452 581 N N -0.265 118.477 118.700 0.069 0.000 2.461 581 N HA 0.052 4.798 4.740 0.010 0.000 0.188 581 N C 0.833 176.391 175.510 0.080 0.000 1.134 581 N CA 0.882 53.969 53.050 0.060 0.000 0.878 581 N CB 0.213 38.732 38.487 0.053 0.000 0.972 581 N HN 0.194 nan 8.380 nan 0.000 0.456 582 G N 0.404 109.274 108.800 0.116 0.000 2.198 582 G HA2 -0.267 3.699 3.960 0.010 0.000 0.257 582 G HA3 -0.267 3.699 3.960 0.010 0.000 0.257 582 G C -0.510 174.539 174.900 0.248 0.000 1.042 582 G CA -0.351 44.836 45.100 0.145 0.000 0.791 582 G HN 0.340 nan 8.290 nan 0.000 0.502 583 N N 1.056 119.906 118.700 0.249 0.000 2.443 583 N HA 0.514 5.259 4.740 0.010 0.000 0.295 583 N C -2.677 172.949 175.510 0.192 0.000 1.076 583 N CA -1.306 51.878 53.050 0.222 0.000 0.919 583 N CB 2.244 40.817 38.487 0.144 0.000 1.176 583 N HN 0.132 nan 8.380 nan 0.000 0.487 584 P HA 0.267 nan 4.420 nan 0.000 0.284 584 P C -0.615 176.549 177.300 -0.227 0.000 1.253 584 P CA -0.343 62.484 63.100 -0.455 0.000 0.800 584 P CB 0.662 32.106 31.700 -0.427 0.000 0.961 585 W N 0.219 121.232 121.300 -0.477 0.000 3.127 585 W HA 0.382 5.047 4.660 0.010 0.000 0.330 585 W C -1.390 174.911 176.519 -0.364 0.000 1.187 585 W CA -1.137 55.933 57.345 -0.457 0.000 1.198 585 W CB 0.425 29.424 29.460 -0.770 0.000 1.408 585 W HN 0.164 nan 8.180 nan 0.000 0.529 586 S N 2.412 118.132 115.700 0.033 0.000 2.700 586 S HA 0.430 4.905 4.470 0.010 0.000 0.321 586 S C 0.450 175.178 174.600 0.213 0.000 1.161 586 S CA -0.170 58.063 58.200 0.054 0.000 1.078 586 S CB -0.074 63.214 63.200 0.147 0.000 1.302 586 S HN 0.604 nan 8.310 nan 0.000 0.540 587 A N 3.096 125.818 122.820 -0.164 0.000 2.302 587 A HA 0.751 5.076 4.320 0.010 0.000 0.285 587 A C -0.214 177.553 177.584 0.305 0.000 1.105 587 A CA -0.632 51.390 52.037 -0.025 0.000 0.816 587 A CB 0.309 18.909 19.000 -0.666 0.000 1.067 587 A HN 0.789 nan 8.150 nan 0.000 0.489 588 Y N -0.658 119.933 120.300 0.485 0.000 2.833 588 Y HA 0.743 5.299 4.550 0.010 0.000 0.319 588 Y C 0.623 176.862 175.900 0.565 0.000 1.254 588 Y CA -1.699 56.682 58.100 0.467 0.000 1.138 588 Y CB -0.121 38.470 38.460 0.218 0.000 1.352 588 Y HN 0.884 nan 8.280 nan 0.000 0.546 589 G N -0.006 109.191 108.800 0.661 0.000 2.178 589 G HA2 0.374 4.340 3.960 0.010 0.000 0.244 589 G HA3 0.374 4.340 3.960 0.010 0.000 0.244 589 G C 0.949 176.205 174.900 0.593 0.000 1.213 589 G CA 0.459 45.904 45.100 0.574 0.000 0.912 589 G HN 1.999 nan 8.290 nan 0.000 0.474 590 G N 2.372 111.490 108.800 0.529 0.000 2.217 590 G HA2 -0.266 3.700 3.960 0.010 0.000 0.246 590 G HA3 -0.266 3.700 3.960 0.010 0.000 0.246 590 G C 0.821 175.913 174.900 0.320 0.000 0.990 590 G CA 0.582 45.915 45.100 0.388 0.000 0.627 590 G HN 0.649 nan 8.290 nan 0.000 0.522 591 D N -0.206 120.373 120.400 0.298 0.000 2.363 591 D HA 0.198 4.844 4.640 0.010 0.000 0.226 591 D C 1.260 177.420 176.300 -0.234 0.000 1.020 591 D CA 0.313 54.330 54.000 0.028 0.000 0.892 591 D CB -0.223 40.548 40.800 -0.049 0.000 0.900 591 D HN 0.483 nan 8.370 nan 0.000 0.531 592 F N -0.773 119.316 119.950 0.232 0.000 2.661 592 F HA 0.279 4.812 4.527 0.010 0.000 0.306 592 F C 1.929 177.826 175.800 0.162 0.000 1.094 592 F CA -0.127 57.975 58.000 0.171 0.000 1.254 592 F CB 0.793 39.902 39.000 0.182 0.000 1.040 592 F HN -0.001 nan 8.300 nan 0.000 0.562 593 G N 0.304 109.268 108.800 0.274 0.000 2.205 593 G HA2 -0.303 3.663 3.960 0.010 0.000 0.261 593 G HA3 -0.303 3.663 3.960 0.010 0.000 0.261 593 G C -0.001 175.041 174.900 0.237 0.000 0.980 593 G CA 0.202 45.429 45.100 0.211 0.000 0.632 593 G HN 0.441 nan 8.290 nan 0.000 0.533 594 D N 0.619 121.214 120.400 0.326 0.000 2.487 594 D HA 0.416 5.062 4.640 0.010 0.000 0.243 594 D C 0.058 176.496 176.300 0.229 0.000 1.154 594 D CA 1.283 55.467 54.000 0.308 0.000 0.876 594 D CB 1.330 42.385 40.800 0.426 0.000 1.161 594 D HN 0.413 nan 8.370 nan 0.000 0.478 595 T N 1.592 116.249 114.554 0.171 0.000 3.097 595 T HA 0.409 4.765 4.350 0.010 0.000 0.332 595 T C -2.910 171.841 174.700 0.086 0.000 1.269 595 T CA -1.134 61.036 62.100 0.117 0.000 1.076 595 T CB 1.588 70.522 68.868 0.108 0.000 1.209 595 T HN 0.421 nan 8.240 nan 0.000 0.474 596 P HA 0.514 nan 4.420 nan 0.000 0.281 596 P C -1.013 176.277 177.300 -0.016 0.000 1.249 596 P CA -0.440 62.670 63.100 0.016 0.000 0.810 596 P CB 0.969 32.654 31.700 -0.025 0.000 1.008 597 N N -0.900 117.796 118.700 -0.006 0.000 2.761 597 N HA 0.335 5.081 4.740 0.010 0.000 0.283 597 N C -0.514 174.951 175.510 -0.075 0.000 1.377 597 N CA -0.760 52.253 53.050 -0.063 0.000 0.791 597 N CB 0.780 39.332 38.487 0.108 0.000 1.540 597 N HN 0.114 nan 8.380 nan 0.000 0.539 598 D N -1.169 119.163 120.400 -0.112 0.000 2.501 598 D HA 0.164 4.810 4.640 0.010 0.000 0.224 598 D C 0.190 176.758 176.300 0.446 0.000 1.202 598 D CA -0.104 53.932 54.000 0.061 0.000 0.829 598 D CB 0.291 40.942 40.800 -0.249 0.000 1.023 598 D HN 0.682 nan 8.370 nan 0.000 0.499 599 R N 0.890 121.629 120.500 0.399 0.000 3.682 599 R HA -0.336 4.010 4.340 0.010 0.000 0.519 599 R C 1.447 177.735 176.300 -0.019 0.000 0.241 599 R CA 1.732 58.028 56.100 0.326 0.000 1.619 599 R CB -1.663 28.772 30.300 0.224 0.000 0.923 599 R HN 0.122 nan 8.270 nan 0.000 0.598 600 Q N 1.352 120.785 119.800 -0.612 0.000 2.437 600 Q HA -0.098 4.248 4.340 0.010 0.000 0.210 600 Q C 1.836 177.495 176.000 -0.569 0.000 0.972 600 Q CA 1.908 57.130 55.803 -0.967 0.000 0.903 600 Q CB -0.150 27.818 28.738 -1.283 0.000 0.967 600 Q HN 0.620 nan 8.270 nan 0.000 0.486 601 F N 1.836 121.673 119.950 -0.189 0.000 2.346 601 F HA -0.183 4.350 4.527 0.010 0.000 0.301 601 F C 2.416 178.154 175.800 -0.103 0.000 1.070 601 F CA 1.327 59.306 58.000 -0.036 0.000 1.407 601 F CB -0.284 38.771 39.000 0.093 0.000 1.072 601 F HN 0.430 nan 8.300 nan 0.000 0.543 602 C N -1.014 118.037 119.300 -0.415 0.000 2.539 602 C HA 0.195 4.661 4.460 0.010 0.000 0.271 602 C C 0.892 175.693 174.990 -0.316 0.000 1.412 602 C CA -0.546 58.053 59.018 -0.699 0.000 1.729 602 C CB -1.950 24.765 27.740 -1.708 0.000 1.739 602 C HN 0.186 nan 8.230 nan 0.000 0.570 603 M N 2.757 122.214 119.600 -0.239 0.000 2.072 603 M HA 0.315 4.801 4.480 0.010 0.000 0.331 603 M C -0.577 175.615 176.300 -0.181 0.000 1.004 603 M CA 0.232 55.419 55.300 -0.188 0.000 0.952 603 M CB 0.575 33.093 32.600 -0.136 0.000 1.511 603 M HN 0.362 nan 8.290 nan 0.000 0.422 604 N N 0.588 119.175 118.700 -0.188 0.000 2.381 604 N HA 0.239 4.984 4.740 0.010 0.000 0.257 604 N C -0.056 175.235 175.510 -0.365 0.000 1.409 604 N CA -0.584 52.318 53.050 -0.247 0.000 0.836 604 N CB 0.957 39.392 38.487 -0.086 0.000 1.384 604 N HN 0.650 nan 8.380 nan 0.000 0.490 605 G N -0.193 108.336 108.800 -0.453 0.000 2.477 605 G HA2 0.426 4.392 3.960 0.010 0.000 0.304 605 G HA3 0.426 4.392 3.960 0.010 0.000 0.304 605 G C 0.667 175.049 174.900 -0.864 0.000 1.175 605 G CA -0.684 44.050 45.100 -0.610 0.000 0.907 605 G HN 0.119 nan 8.290 nan 0.000 0.509 606 L N -0.204 120.547 121.223 -0.787 0.000 2.217 606 L HA 0.083 4.429 4.340 0.010 0.000 0.211 606 L C 1.043 177.335 176.870 -0.964 0.000 1.107 606 L CA 0.666 55.073 54.840 -0.722 0.000 0.783 606 L CB -0.397 41.395 42.059 -0.445 0.000 0.919 606 L HN 0.391 nan 8.230 nan 0.000 0.442 607 V N -4.645 114.599 119.914 -1.117 0.000 2.914 607 V HA 0.443 4.568 4.120 0.010 0.000 0.314 607 V C -0.118 175.519 176.094 -0.762 0.000 1.084 607 V CA -1.307 60.494 62.300 -0.832 0.000 0.963 607 V CB 1.629 33.016 31.823 -0.727 0.000 1.025 607 V HN -0.103 nan 8.190 nan 0.000 0.432 608 F N 1.876 121.803 119.950 -0.037 0.000 2.586 608 F HA 0.417 4.950 4.527 0.010 0.000 0.335 608 F C 1.913 177.657 175.800 -0.095 0.000 1.210 608 F CA 0.760 58.795 58.000 0.058 0.000 1.359 608 F CB 0.673 39.687 39.000 0.023 0.000 1.142 608 F HN 0.783 nan 8.300 nan 0.000 0.606 609 A N 0.616 123.533 122.820 0.162 0.000 2.121 609 A HA -0.144 4.182 4.320 0.010 0.000 0.218 609 A C 1.463 179.040 177.584 -0.011 0.000 1.154 609 A CA 1.377 53.443 52.037 0.049 0.000 0.679 609 A CB -0.901 18.160 19.000 0.102 0.000 0.795 609 A HN 0.773 nan 8.150 nan 0.000 0.458 610 D N -2.593 117.828 120.400 0.035 0.000 2.328 610 D HA 0.128 4.774 4.640 0.010 0.000 0.226 610 D C 0.480 176.792 176.300 0.020 0.000 1.066 610 D CA -0.189 53.805 54.000 -0.011 0.000 0.861 610 D CB -0.129 40.658 40.800 -0.021 0.000 0.912 610 D HN 0.081 nan 8.370 nan 0.000 0.521 611 R N -1.422 119.090 120.500 0.020 0.000 3.654 611 R HA -0.117 4.229 4.340 0.010 0.000 0.302 611 R C -0.600 175.725 176.300 0.042 0.000 1.166 611 R CA 0.757 56.849 56.100 -0.013 0.000 0.810 611 R CB -3.271 27.057 30.300 0.047 0.000 1.323 611 R HN 0.255 nan 8.270 nan 0.000 0.478 612 T N 1.568 116.218 114.554 0.159 0.000 2.882 612 T HA 0.574 4.929 4.350 0.010 0.000 0.287 612 T C -2.462 172.447 174.700 0.350 0.000 0.992 612 T CA -1.471 60.778 62.100 0.249 0.000 1.076 612 T CB 1.547 70.532 68.868 0.196 0.000 0.961 612 T HN -0.072 nan 8.240 nan 0.000 0.490 613 P HA 0.338 nan 4.420 nan 0.000 0.296 613 P C -0.621 176.795 177.300 0.194 0.000 1.301 613 P CA -0.648 62.508 63.100 0.093 0.000 0.862 613 P CB 0.644 32.359 31.700 0.025 0.000 1.046 614 H N 2.855 121.746 119.070 -0.299 0.000 2.607 614 H HA 0.101 4.663 4.556 0.010 0.000 0.367 614 H C -1.225 174.032 175.328 -0.119 0.000 1.181 614 H CA -1.712 54.185 56.048 -0.251 0.000 1.402 614 H CB 0.324 29.890 29.762 -0.328 0.000 1.474 614 H HN 0.315 nan 8.280 nan 0.000 0.596 615 P HA -0.161 nan 4.420 nan 0.000 0.219 615 P C 1.226 178.531 177.300 0.008 0.000 1.146 615 P CA 1.285 64.387 63.100 0.003 0.000 0.808 615 P CB -0.033 31.660 31.700 -0.012 0.000 0.779 616 A N -0.072 122.760 122.820 0.021 0.000 1.978 616 A HA -0.192 4.134 4.320 0.010 0.000 0.220 616 A C 2.185 179.707 177.584 -0.104 0.000 1.170 616 A CA 1.461 53.464 52.037 -0.057 0.000 0.636 616 A CB -1.694 17.247 19.000 -0.097 0.000 0.810 616 A HN 0.216 nan 8.150 nan 0.000 0.448 617 L N -0.519 120.661 121.223 -0.071 0.000 2.043 617 L HA -0.195 4.151 4.340 0.010 0.000 0.212 617 L C 2.640 179.504 176.870 -0.009 0.000 1.075 617 L CA 2.700 57.516 54.840 -0.040 0.000 0.752 617 L CB -0.667 41.383 42.059 -0.016 0.000 0.891 617 L HN 0.455 nan 8.230 nan 0.000 0.432 618 T N -1.473 113.095 114.554 0.024 0.000 2.708 618 T HA -0.264 4.092 4.350 0.010 0.000 0.266 618 T C 1.826 176.575 174.700 0.081 0.000 1.037 618 T CA 1.618 63.780 62.100 0.103 0.000 1.146 618 T CB -0.284 68.655 68.868 0.119 0.000 0.865 618 T HN 0.469 nan 8.240 nan 0.000 0.435 619 E N 1.051 121.255 120.200 0.006 0.000 2.086 619 E HA -0.164 4.192 4.350 0.010 0.000 0.205 619 E C 2.251 178.771 176.600 -0.132 0.000 1.027 619 E CA 1.942 58.334 56.400 -0.012 0.000 0.830 619 E CB -1.014 28.638 29.700 -0.079 0.000 0.751 619 E HN 0.619 nan 8.360 nan 0.000 0.456 620 A N 0.802 123.395 122.820 -0.378 0.000 1.883 620 A HA -0.281 4.044 4.320 0.010 0.000 0.217 620 A C 2.192 179.543 177.584 -0.388 0.000 1.186 620 A CA 2.128 53.861 52.037 -0.507 0.000 0.624 620 A CB -0.679 18.014 19.000 -0.511 0.000 0.822 620 A HN 0.242 nan 8.150 nan 0.000 0.444 621 K N -1.295 118.961 120.400 -0.239 0.000 2.020 621 K HA -0.305 4.020 4.320 0.010 0.000 0.212 621 K C 2.074 178.479 176.600 -0.326 0.000 1.050 621 K CA 2.233 58.400 56.287 -0.200 0.000 0.929 621 K CB -0.434 32.121 32.500 0.092 0.000 0.714 621 K HN 0.666 nan 8.250 nan 0.000 0.443 622 H N 0.846 119.662 119.070 -0.424 0.000 2.265 622 H HA -0.110 4.452 4.556 0.010 0.000 0.295 622 H C 2.118 177.156 175.328 -0.483 0.000 1.084 622 H CA 2.166 57.822 56.048 -0.653 0.000 1.261 622 H CB -0.086 29.428 29.762 -0.415 0.000 1.360 622 H HN 0.249 nan 8.280 nan 0.000 0.487 623 Q N 0.226 119.715 119.800 -0.518 0.000 2.119 623 Q HA -0.097 4.248 4.340 0.010 0.000 0.201 623 Q C 2.135 177.633 176.000 -0.837 0.000 0.972 623 Q CA 1.317 56.772 55.803 -0.580 0.000 0.847 623 Q CB -0.137 28.379 28.738 -0.369 0.000 0.903 623 Q HN 0.718 nan 8.270 nan 0.000 0.433 624 Q N 0.457 119.702 119.800 -0.925 0.000 2.482 624 Q HA 0.012 4.358 4.340 0.010 0.000 0.209 624 Q C 0.134 175.554 176.000 -0.967 0.000 0.961 624 Q CA -0.149 54.982 55.803 -1.120 0.000 0.945 624 Q CB 0.108 28.211 28.738 -1.058 0.000 1.012 624 Q HN 0.428 nan 8.270 nan 0.000 0.515 625 Q N -0.155 119.217 119.800 -0.713 0.000 2.352 625 Q HA -0.118 4.228 4.340 0.010 0.000 0.326 625 Q C -0.156 175.438 176.000 -0.677 0.000 1.135 625 Q CA 0.432 55.919 55.803 -0.528 0.000 1.000 625 Q CB 0.359 28.887 28.738 -0.349 0.000 1.237 625 Q HN 0.282 nan 8.270 nan 0.000 0.409 626 F N 0.919 120.638 119.950 -0.385 0.000 2.765 626 F HA 0.217 4.749 4.527 0.009 0.000 0.302 626 F C -0.187 175.056 175.800 -0.928 0.000 1.111 626 F CA 0.007 57.555 58.000 -0.753 0.000 1.359 626 F CB 0.443 38.639 39.000 -1.340 0.000 1.097 626 F HN 0.283 nan 8.300 nan 0.000 0.577 627 F N 0.284 120.176 119.950 -0.097 0.000 2.540 627 F HA 0.512 5.045 4.527 0.010 0.000 0.317 627 F C -0.293 175.260 175.800 -0.411 0.000 1.104 627 F CA -1.064 56.798 58.000 -0.229 0.000 0.913 627 F CB 1.489 40.358 39.000 -0.219 0.000 1.170 627 F HN -0.300 nan 8.300 nan 0.000 0.450 628 Q N 3.399 123.008 119.800 -0.317 0.000 2.337 628 Q HA 0.488 4.834 4.340 0.010 0.000 0.270 628 Q C -1.579 174.195 176.000 -0.377 0.000 1.043 628 Q CA -0.644 54.992 55.803 -0.278 0.000 0.794 628 Q CB 3.075 31.764 28.738 -0.082 0.000 1.281 628 Q HN 0.519 nan 8.270 nan 0.000 0.446 629 F N 0.571 120.663 119.950 0.236 0.000 2.495 629 F HA 0.579 5.112 4.527 0.010 0.000 0.327 629 F C 0.592 176.644 175.800 0.421 0.000 1.103 629 F CA -0.794 57.420 58.000 0.356 0.000 0.949 629 F CB 1.725 41.090 39.000 0.608 0.000 1.142 629 F HN 0.156 nan 8.300 nan 0.000 0.457 630 R N 1.758 122.559 120.500 0.502 0.000 2.832 630 R HA 0.812 5.158 4.340 0.010 0.000 0.271 630 R C -1.779 174.620 176.300 0.165 0.000 0.996 630 R CA -1.311 54.998 56.100 0.349 0.000 0.977 630 R CB 2.549 32.954 30.300 0.176 0.000 1.168 630 R HN 0.692 nan 8.270 nan 0.000 0.482 631 L N 0.361 121.559 121.223 -0.043 0.000 2.438 631 L HA 0.432 4.778 4.340 0.010 0.000 0.270 631 L C -1.303 175.431 176.870 -0.227 0.000 0.972 631 L CA 0.093 54.683 54.840 -0.417 0.000 0.831 631 L CB 2.242 43.533 42.059 -1.279 0.000 1.273 631 L HN 0.497 nan 8.230 nan 0.000 0.405 632 S N 4.035 119.622 115.700 -0.188 0.000 2.524 632 S HA 0.748 5.224 4.470 0.010 0.000 0.227 632 S C 0.109 174.632 174.600 -0.127 0.000 1.304 632 S CA 0.370 58.499 58.200 -0.118 0.000 1.185 632 S CB -0.047 63.115 63.200 -0.063 0.000 1.104 632 S HN 1.679 nan 8.310 nan 0.000 0.475 633 G N 4.080 112.797 108.800 -0.138 0.000 2.498 633 G HA2 -0.228 3.737 3.960 0.010 0.000 0.251 633 G HA3 -0.228 3.737 3.960 0.010 0.000 0.251 633 G C 0.118 174.917 174.900 -0.168 0.000 1.170 633 G CA 0.214 45.239 45.100 -0.125 0.000 0.944 633 G HN 0.637 nan 8.290 nan 0.000 0.567 634 Q N 0.480 120.186 119.800 -0.156 0.000 2.246 634 Q HA 0.255 4.600 4.340 0.010 0.000 0.202 634 Q C 0.213 176.081 176.000 -0.220 0.000 0.883 634 Q CA 0.582 56.266 55.803 -0.199 0.000 0.952 634 Q CB 0.554 29.188 28.738 -0.173 0.000 1.078 634 Q HN 0.439 nan 8.270 nan 0.000 0.493 635 T N 1.453 115.896 114.554 -0.185 0.000 2.743 635 T HA 0.407 4.763 4.350 0.010 0.000 0.293 635 T C 0.115 174.708 174.700 -0.178 0.000 0.945 635 T CA -0.283 61.723 62.100 -0.156 0.000 1.030 635 T CB 0.878 69.685 68.868 -0.102 0.000 0.912 635 T HN 0.080 nan 8.240 nan 0.000 0.483 636 I N 2.903 123.383 120.570 -0.150 0.000 2.396 636 I HA 0.341 4.517 4.170 0.010 0.000 0.292 636 I C 0.603 176.736 176.117 0.027 0.000 0.999 636 I CA -0.559 60.692 61.300 -0.082 0.000 1.310 636 I CB 1.088 39.077 38.000 -0.018 0.000 1.404 636 I HN 0.531 nan 8.210 nan 0.000 0.496 637 E N 6.798 127.054 120.200 0.094 0.000 2.185 637 E HA 0.438 4.794 4.350 0.010 0.000 0.261 637 E C -1.654 175.024 176.600 0.130 0.000 0.879 637 E CA -0.589 55.868 56.400 0.095 0.000 0.756 637 E CB 1.926 31.660 29.700 0.057 0.000 1.152 637 E HN 0.399 nan 8.360 nan 0.000 0.416 638 V N 2.671 122.626 119.914 0.068 0.000 2.532 638 V HA 0.558 4.684 4.120 0.010 0.000 0.295 638 V C 0.100 176.186 176.094 -0.012 0.000 1.041 638 V CA -0.684 61.588 62.300 -0.047 0.000 0.926 638 V CB 1.631 33.433 31.823 -0.036 0.000 0.992 638 V HN 0.668 nan 8.190 nan 0.000 0.457 639 T N 2.311 116.843 114.554 -0.038 0.000 2.928 639 T HA 0.305 4.661 4.350 0.010 0.000 0.296 639 T C -0.280 174.474 174.700 0.090 0.000 1.000 639 T CA -0.247 61.868 62.100 0.025 0.000 0.989 639 T CB 1.597 70.451 68.868 -0.024 0.000 1.005 639 T HN 0.739 nan 8.240 nan 0.000 0.442 640 S N 2.023 117.787 115.700 0.107 0.000 2.474 640 S HA 0.156 4.632 4.470 0.010 0.000 0.276 640 S C 0.963 175.482 174.600 -0.136 0.000 1.227 640 S CA -0.410 57.783 58.200 -0.012 0.000 1.050 640 S CB 0.340 63.609 63.200 0.115 0.000 0.939 640 S HN 0.677 nan 8.310 nan 0.000 0.490 641 E N 3.426 123.441 120.200 -0.308 0.000 2.444 641 E HA 0.064 4.420 4.350 0.010 0.000 0.191 641 E C -0.719 175.740 176.600 -0.235 0.000 1.041 641 E CA -0.034 56.228 56.400 -0.230 0.000 0.883 641 E CB 0.298 29.863 29.700 -0.224 0.000 1.024 641 E HN 0.666 nan 8.360 nan 0.000 0.470 642 Y N 0.288 120.482 120.300 -0.176 0.000 2.326 642 Y HA 0.050 4.605 4.550 0.009 0.000 0.333 642 Y C 1.413 177.154 175.900 -0.264 0.000 1.240 642 Y CA 0.059 58.025 58.100 -0.224 0.000 1.365 642 Y CB 0.879 39.183 38.460 -0.260 0.000 1.289 642 Y HN -0.049 nan 8.280 nan 0.000 0.548 643 L N 0.900 121.973 121.223 -0.250 0.000 2.575 643 L HA 0.111 4.457 4.340 0.010 0.000 0.228 643 L C 0.375 176.705 176.870 -0.900 0.000 1.075 643 L CA 0.587 55.003 54.840 -0.707 0.000 0.867 643 L CB 0.158 41.506 42.059 -1.185 0.000 1.097 643 L HN 0.678 nan 8.230 nan 0.000 0.485 644 F N -0.720 119.245 119.950 0.026 0.000 2.856 644 F HA 0.202 4.734 4.527 0.009 0.000 0.338 644 F C 1.001 176.778 175.800 -0.039 0.000 1.005 644 F CA -0.796 57.190 58.000 -0.023 0.000 1.155 644 F CB 0.435 39.395 39.000 -0.066 0.000 1.010 644 F HN -0.143 nan 8.300 nan 0.000 0.587 645 R N -0.219 120.310 120.500 0.048 0.000 2.604 645 R HA 0.532 4.878 4.340 0.010 0.000 0.287 645 R C -1.130 175.144 176.300 -0.043 0.000 0.970 645 R CA -0.738 55.325 56.100 -0.062 0.000 0.946 645 R CB 0.965 31.120 30.300 -0.242 0.000 1.127 645 R HN -0.014 nan 8.270 nan 0.000 0.473 646 H N 0.583 119.613 119.070 -0.067 0.000 2.551 646 H HA 0.109 4.670 4.556 0.009 0.000 0.358 646 H C 0.073 175.400 175.328 -0.000 0.000 1.151 646 H CA 0.301 56.346 56.048 -0.004 0.000 1.374 646 H CB 1.229 30.998 29.762 0.012 0.000 1.473 646 H HN 0.774 nan 8.280 nan 0.000 0.574 647 S N 1.968 117.598 115.700 -0.118 0.000 4.053 647 S HA -0.060 4.416 4.470 0.010 0.000 0.184 647 S C 0.441 175.104 174.600 0.105 0.000 1.324 647 S CA 0.004 58.246 58.200 0.070 0.000 0.956 647 S CB -0.808 62.417 63.200 0.042 0.000 1.503 647 S HN 0.740 nan 8.310 nan 0.000 0.440 648 D N 0.640 121.110 120.400 0.117 0.000 2.355 648 D HA -0.054 4.591 4.640 0.010 0.000 0.218 648 D C 0.661 177.007 176.300 0.076 0.000 1.004 648 D CA 0.273 54.340 54.000 0.112 0.000 0.880 648 D CB -0.159 40.704 40.800 0.105 0.000 0.911 648 D HN 0.485 nan 8.370 nan 0.000 0.528 649 N N 0.006 118.752 118.700 0.077 0.000 2.628 649 N HA 0.141 4.887 4.740 0.010 0.000 0.299 649 N C -1.535 174.027 175.510 0.087 0.000 1.834 649 N CA -0.263 52.828 53.050 0.068 0.000 0.871 649 N CB 0.210 38.730 38.487 0.055 0.000 1.377 649 N HN 0.003 nan 8.380 nan 0.000 0.493 650 E N 0.224 120.471 120.200 0.078 0.000 2.278 650 E HA 0.457 4.812 4.350 0.010 0.000 0.272 650 E C -1.314 175.315 176.600 0.049 0.000 0.890 650 E CA -0.726 55.710 56.400 0.061 0.000 0.770 650 E CB 2.237 31.951 29.700 0.023 0.000 1.212 650 E HN 0.317 nan 8.360 nan 0.000 0.415 651 L N 1.304 122.568 121.223 0.069 0.000 2.408 651 L HA 0.658 5.004 4.340 0.010 0.000 0.268 651 L C -1.669 175.292 176.870 0.151 0.000 0.986 651 L CA -0.961 53.947 54.840 0.113 0.000 0.820 651 L CB 1.395 43.542 42.059 0.147 0.000 1.303 651 L HN 0.598 nan 8.230 nan 0.000 0.411 652 L N 3.911 125.250 121.223 0.193 0.000 2.260 652 L HA 0.492 4.838 4.340 0.010 0.000 0.289 652 L C -0.495 176.614 176.870 0.397 0.000 1.057 652 L CA 0.135 55.126 54.840 0.252 0.000 0.811 652 L CB 0.199 42.401 42.059 0.239 0.000 1.184 652 L HN 0.708 nan 8.230 nan 0.000 0.429 653 H N 5.604 124.750 119.070 0.127 0.000 2.525 653 H HA 0.328 4.890 4.556 0.010 0.000 0.339 653 H C -1.089 174.333 175.328 0.155 0.000 1.109 653 H CA -0.633 55.453 56.048 0.063 0.000 1.352 653 H CB 0.909 30.668 29.762 -0.006 0.000 1.461 653 H HN 0.698 nan 8.280 nan 0.000 0.533 654 W N 3.850 125.229 121.300 0.133 0.000 3.022 654 W HA 0.513 5.179 4.660 0.010 0.000 0.335 654 W C -1.846 174.715 176.519 0.070 0.000 1.133 654 W CA -1.263 56.144 57.345 0.102 0.000 1.219 654 W CB 1.412 30.923 29.460 0.085 0.000 1.409 654 W HN 0.579 nan 8.180 nan 0.000 0.507 655 M N 3.074 122.935 119.600 0.436 0.000 2.569 655 M HA 0.700 5.185 4.480 0.010 0.000 0.279 655 M C -2.363 174.167 176.300 0.384 0.000 1.253 655 M CA -0.582 54.852 55.300 0.224 0.000 0.867 655 M CB 2.458 35.043 32.600 -0.024 0.000 1.727 655 M HN 0.151 nan 8.290 nan 0.000 0.467 656 V N 2.438 122.535 119.914 0.306 0.000 2.555 656 V HA 1.008 5.134 4.120 0.010 0.000 0.302 656 V C -0.389 175.804 176.094 0.164 0.000 1.038 656 V CA -0.217 62.250 62.300 0.278 0.000 0.887 656 V CB 1.184 33.197 31.823 0.316 0.000 0.991 656 V HN 1.038 nan 8.190 nan 0.000 0.434 657 A N 4.067 126.997 122.820 0.183 0.000 2.572 657 A HA 0.884 5.210 4.320 0.010 0.000 0.295 657 A C -1.722 175.981 177.584 0.198 0.000 1.072 657 A CA -0.588 51.520 52.037 0.119 0.000 0.691 657 A CB 1.821 20.822 19.000 0.002 0.000 1.291 657 A HN 0.822 nan 8.150 nan 0.000 0.404 658 L N 1.551 122.851 121.223 0.128 0.000 2.301 658 L HA 0.550 4.895 4.340 0.010 0.000 0.278 658 L C -0.731 176.217 176.870 0.129 0.000 1.022 658 L CA 0.167 55.103 54.840 0.161 0.000 0.854 658 L CB 0.220 42.343 42.059 0.105 0.000 1.226 658 L HN 0.741 nan 8.230 nan 0.000 0.429 659 D N 4.455 124.993 120.400 0.230 0.000 2.686 659 D HA -0.193 4.453 4.640 0.010 0.000 0.235 659 D C 1.196 177.437 176.300 -0.098 0.000 1.160 659 D CA 1.549 55.626 54.000 0.128 0.000 0.645 659 D CB -1.222 39.665 40.800 0.145 0.000 1.039 659 D HN 1.151 nan 8.370 nan 0.000 0.423 660 G N -0.822 107.838 108.800 -0.232 0.000 2.179 660 G HA2 -0.376 3.590 3.960 0.010 0.000 0.260 660 G HA3 -0.376 3.590 3.960 0.010 0.000 0.260 660 G C 0.144 174.911 174.900 -0.223 0.000 0.977 660 G CA 0.544 45.428 45.100 -0.359 0.000 0.641 660 G HN 0.534 nan 8.290 nan 0.000 0.533 661 K N 1.596 121.930 120.400 -0.110 0.000 2.263 661 K HA 0.511 4.837 4.320 0.010 0.000 0.272 661 K C -2.817 173.757 176.600 -0.042 0.000 1.033 661 K CA -2.038 54.206 56.287 -0.072 0.000 0.884 661 K CB 2.089 34.568 32.500 -0.036 0.000 1.107 661 K HN 0.026 nan 8.250 nan 0.000 0.460 662 P HA 0.066 nan 4.420 nan 0.000 0.276 662 P C -0.038 177.250 177.300 -0.021 0.000 1.264 662 P CA -0.065 63.006 63.100 -0.048 0.000 0.769 662 P CB 0.732 32.384 31.700 -0.081 0.000 0.840 663 L N 2.174 123.406 121.223 0.015 0.000 2.327 663 L HA 0.392 4.738 4.340 0.010 0.000 0.192 663 L C 1.183 178.069 176.870 0.026 0.000 1.158 663 L CA 0.457 55.316 54.840 0.032 0.000 0.813 663 L CB -0.822 41.276 42.059 0.064 0.000 1.021 663 L HN 0.262 nan 8.230 nan 0.000 0.481 664 A N -0.101 122.759 122.820 0.068 0.000 2.322 664 A HA 0.672 4.998 4.320 0.010 0.000 0.327 664 A C -0.478 177.023 177.584 -0.138 0.000 1.134 664 A CA -0.033 52.045 52.037 0.069 0.000 0.831 664 A CB 1.535 20.718 19.000 0.305 0.000 1.288 664 A HN 0.316 nan 8.150 nan 0.000 0.472 665 S N 0.032 115.408 115.700 -0.540 0.000 2.581 665 S HA 0.590 5.066 4.470 0.010 0.000 0.306 665 S C -0.428 173.401 174.600 -1.284 0.000 1.080 665 S CA 0.101 57.650 58.200 -1.085 0.000 0.925 665 S CB 0.376 63.261 63.200 -0.525 0.000 1.128 665 S HN 2.132 nan 8.310 nan 0.000 0.451 666 G N 1.199 108.579 108.800 -2.367 0.000 3.042 666 G HA2 0.785 4.750 3.960 0.010 0.000 0.278 666 G HA3 0.785 4.750 3.960 0.010 0.000 0.278 666 G C -1.493 172.904 174.900 -0.838 0.000 1.371 666 G CA -0.810 43.568 45.100 -1.202 0.000 1.009 666 G HN 0.743 nan 8.290 nan 0.000 0.523 667 E N -0.898 119.215 120.200 -0.145 0.000 2.294 667 E HA 0.463 4.819 4.350 0.010 0.000 0.272 667 E C -1.297 175.394 176.600 0.152 0.000 0.896 667 E CA -0.506 55.877 56.400 -0.028 0.000 0.802 667 E CB 2.472 32.065 29.700 -0.179 0.000 1.267 667 E HN 0.380 nan 8.360 nan 0.000 0.406 668 V N 2.468 122.518 119.914 0.225 0.000 2.531 668 V HA 0.519 4.645 4.120 0.010 0.000 0.301 668 V C -2.477 173.704 176.094 0.145 0.000 1.034 668 V CA -2.553 59.855 62.300 0.180 0.000 0.865 668 V CB 1.312 33.244 31.823 0.182 0.000 0.995 668 V HN 0.532 nan 8.190 nan 0.000 0.424 669 P HA 0.232 nan 4.420 nan 0.000 0.271 669 P C -0.281 177.063 177.300 0.074 0.000 1.233 669 P CA 0.023 63.177 63.100 0.089 0.000 0.764 669 P CB 0.617 32.364 31.700 0.077 0.000 0.825 670 L N 3.581 124.833 121.223 0.048 0.000 2.397 670 L HA 0.248 4.594 4.340 0.010 0.000 0.271 670 L C 0.814 177.697 176.870 0.022 0.000 1.148 670 L CA 0.651 55.492 54.840 0.001 0.000 0.825 670 L CB 0.431 42.422 42.059 -0.113 0.000 1.117 670 L HN 0.392 nan 8.230 nan 0.000 0.456 671 D N 2.851 123.258 120.400 0.011 0.000 2.328 671 D HA 0.381 5.026 4.640 0.010 0.000 0.243 671 D C -1.489 174.781 176.300 -0.050 0.000 1.324 671 D CA -0.074 53.945 54.000 0.032 0.000 0.966 671 D CB 1.277 42.147 40.800 0.117 0.000 1.324 671 D HN 0.130 nan 8.370 nan 0.000 0.549 672 V N 0.590 120.354 119.914 -0.250 0.000 2.841 672 V HA 0.865 4.990 4.120 0.010 0.000 0.310 672 V C 0.382 176.157 176.094 -0.533 0.000 1.090 672 V CA -1.168 61.011 62.300 -0.201 0.000 0.930 672 V CB 1.470 33.303 31.823 0.017 0.000 1.014 672 V HN 0.520 nan 8.190 nan 0.000 0.425 673 A N 3.817 126.498 122.820 -0.232 0.000 2.271 673 A HA 0.892 5.218 4.320 0.010 0.000 0.288 673 A C -2.606 174.972 177.584 -0.011 0.000 1.094 673 A CA -1.935 50.041 52.037 -0.102 0.000 0.828 673 A CB 0.121 19.244 19.000 0.204 0.000 1.091 673 A HN 0.697 nan 8.150 nan 0.000 0.493 674 P HA -0.009 nan 4.420 nan 0.000 0.258 674 P C -0.368 176.929 177.300 -0.005 0.000 1.172 674 P CA 0.912 64.026 63.100 0.023 0.000 0.762 674 P CB 0.143 31.838 31.700 -0.008 0.000 0.764 675 Q N -0.740 119.049 119.800 -0.018 0.000 2.324 675 Q HA -0.185 4.161 4.340 0.010 0.000 0.200 675 Q C 0.825 176.824 176.000 -0.002 0.000 0.645 675 Q CA 1.489 57.275 55.803 -0.029 0.000 1.377 675 Q CB -2.521 26.188 28.738 -0.048 0.000 1.486 675 Q HN 0.675 nan 8.270 nan 0.000 0.796 676 G N 0.874 109.684 108.800 0.017 0.000 2.621 676 G HA2 0.438 4.404 3.960 0.010 0.000 0.271 676 G HA3 0.438 4.404 3.960 0.010 0.000 0.271 676 G C -0.451 174.468 174.900 0.032 0.000 1.236 676 G CA -0.430 44.686 45.100 0.026 0.000 0.958 676 G HN -0.000 nan 8.290 nan 0.000 0.512 677 K N -0.543 119.877 120.400 0.032 0.000 2.259 677 K HA 0.410 4.736 4.320 0.010 0.000 0.252 677 K C -0.401 176.220 176.600 0.036 0.000 0.936 677 K CA -0.446 55.861 56.287 0.033 0.000 0.810 677 K CB 1.953 34.470 32.500 0.027 0.000 1.143 677 K HN 0.520 nan 8.250 nan 0.000 0.427 678 Q N 3.417 123.239 119.800 0.037 0.000 2.365 678 Q HA 0.447 4.793 4.340 0.010 0.000 0.269 678 Q C -1.552 174.472 176.000 0.039 0.000 1.061 678 Q CA -0.860 54.966 55.803 0.037 0.000 0.816 678 Q CB 1.360 30.118 28.738 0.034 0.000 1.325 678 Q HN 0.498 nan 8.270 nan 0.000 0.446 679 L N 4.647 125.889 121.223 0.031 0.000 2.313 679 L HA 0.544 4.890 4.340 0.010 0.000 0.283 679 L C -0.693 176.184 176.870 0.012 0.000 1.013 679 L CA -0.410 54.442 54.840 0.019 0.000 0.816 679 L CB 1.486 43.548 42.059 0.007 0.000 1.236 679 L HN 0.535 nan 8.230 nan 0.000 0.419 680 I N 2.236 122.806 120.570 -0.001 0.000 2.418 680 I HA 0.388 4.564 4.170 0.010 0.000 0.287 680 I C -0.507 175.560 176.117 -0.084 0.000 1.008 680 I CA -0.666 60.620 61.300 -0.024 0.000 1.104 680 I CB 1.985 39.984 38.000 -0.001 0.000 1.264 680 I HN 0.525 nan 8.210 nan 0.000 0.438 681 E N 5.545 125.693 120.200 -0.087 0.000 2.174 681 E HA 0.459 4.815 4.350 0.010 0.000 0.282 681 E C -0.932 175.559 176.600 -0.182 0.000 0.992 681 E CA -0.459 55.869 56.400 -0.120 0.000 0.803 681 E CB 1.458 31.111 29.700 -0.078 0.000 1.090 681 E HN 0.461 nan 8.360 nan 0.000 0.396 682 L N 6.482 127.553 121.223 -0.253 0.000 2.349 682 L HA 0.340 4.685 4.340 0.010 0.000 0.275 682 L C -1.822 174.915 176.870 -0.222 0.000 1.115 682 L CA -1.912 52.708 54.840 -0.367 0.000 0.820 682 L CB 0.635 42.377 42.059 -0.528 0.000 1.135 682 L HN 0.464 nan 8.230 nan 0.000 0.445 683 P HA -0.052 nan 4.420 nan 0.000 0.273 683 P C -0.399 176.867 177.300 -0.058 0.000 1.258 683 P CA -0.362 62.707 63.100 -0.051 0.000 0.802 683 P CB 0.391 32.126 31.700 0.060 0.000 1.040 684 E N 0.243 120.436 120.200 -0.012 0.000 2.328 684 E HA 0.110 4.466 4.350 0.010 0.000 0.265 684 E C -0.395 176.208 176.600 0.004 0.000 1.057 684 E CA 0.136 56.528 56.400 -0.013 0.000 0.916 684 E CB -0.720 28.979 29.700 -0.002 0.000 0.993 684 E HN 0.229 nan 8.360 nan 0.000 0.446 685 L N 6.954 128.165 121.223 -0.020 0.000 2.426 685 L HA 0.244 4.590 4.340 0.010 0.000 0.271 685 L C -1.691 175.194 176.870 0.024 0.000 1.169 685 L CA -1.744 53.100 54.840 0.008 0.000 0.836 685 L CB 0.155 42.199 42.059 -0.026 0.000 1.112 685 L HN 0.363 nan 8.230 nan 0.000 0.465 686 P HA 0.056 nan 4.420 nan 0.000 0.272 686 P C -0.671 176.647 177.300 0.031 0.000 1.254 686 P CA -0.230 62.895 63.100 0.042 0.000 0.795 686 P CB 0.662 32.395 31.700 0.056 0.000 1.022 687 Q N -1.604 118.212 119.800 0.026 0.000 2.086 687 Q HA 0.244 4.589 4.340 0.010 0.000 0.220 687 Q C -2.110 173.904 176.000 0.025 0.000 0.792 687 Q CA -0.859 54.957 55.803 0.021 0.000 1.062 687 Q CB -0.919 27.826 28.738 0.012 0.000 1.198 687 Q HN 0.414 nan 8.270 nan 0.000 0.466 688 P HA -0.214 nan 4.420 nan 0.000 0.262 688 P C 0.059 177.375 177.300 0.028 0.000 1.110 688 P CA 0.788 63.906 63.100 0.030 0.000 0.752 688 P CB 0.750 32.473 31.700 0.039 0.000 0.695 689 E N 0.616 120.830 120.200 0.024 0.000 2.268 689 E HA -0.077 4.279 4.350 0.010 0.000 0.195 689 E C 1.071 177.686 176.600 0.026 0.000 0.995 689 E CA 0.492 56.906 56.400 0.022 0.000 0.836 689 E CB -0.043 29.668 29.700 0.018 0.000 0.763 689 E HN 0.525 nan 8.360 nan 0.000 0.491 690 S N 0.035 115.753 115.700 0.030 0.000 2.564 690 S HA 0.180 4.656 4.470 0.010 0.000 0.263 690 S C -0.024 174.602 174.600 0.043 0.000 1.378 690 S CA 0.086 58.308 58.200 0.036 0.000 0.996 690 S CB 0.474 63.696 63.200 0.037 0.000 0.881 690 S HN 0.269 nan 8.310 nan 0.000 0.555 691 A N 0.960 123.810 122.820 0.049 0.000 2.337 691 A HA 0.878 5.203 4.320 0.010 0.000 0.331 691 A C 0.509 178.139 177.584 0.075 0.000 1.137 691 A CA 0.150 52.221 52.037 0.057 0.000 0.807 691 A CB 0.917 19.949 19.000 0.052 0.000 1.250 691 A HN 1.807 nan 8.150 nan 0.000 0.468 692 G N 0.188 109.039 108.800 0.084 0.000 2.316 692 G HA2 0.356 4.321 3.960 0.010 0.000 0.349 692 G HA3 0.356 4.321 3.960 0.010 0.000 0.349 692 G C -1.255 173.722 174.900 0.129 0.000 1.274 692 G CA -0.505 44.668 45.100 0.121 0.000 1.018 692 G HN 1.122 nan 8.290 nan 0.000 0.486 693 Q N -0.342 119.586 119.800 0.214 0.000 2.230 693 Q HA 0.753 5.099 4.340 0.010 0.000 0.253 693 Q C -0.071 176.110 176.000 0.302 0.000 0.919 693 Q CA -0.660 55.258 55.803 0.192 0.000 0.908 693 Q CB 2.466 31.227 28.738 0.039 0.000 1.245 693 Q HN 0.501 nan 8.270 nan 0.000 0.437 694 L N 2.855 124.136 121.223 0.097 0.000 2.289 694 L HA 0.482 4.828 4.340 0.010 0.000 0.285 694 L C -1.397 175.537 176.870 0.106 0.000 1.049 694 L CA -0.308 54.624 54.840 0.153 0.000 0.804 694 L CB 0.575 42.668 42.059 0.057 0.000 1.195 694 L HN 0.772 nan 8.230 nan 0.000 0.428 695 W N 4.761 126.150 121.300 0.147 0.000 2.998 695 W HA 0.411 5.077 4.660 0.009 0.000 0.335 695 W C -0.849 175.786 176.519 0.192 0.000 1.110 695 W CA -0.564 56.892 57.345 0.185 0.000 1.230 695 W CB 1.577 31.173 29.460 0.227 0.000 1.405 695 W HN 0.153 nan 8.180 nan 0.000 0.493 696 L N 3.235 124.752 121.223 0.490 0.000 2.272 696 L HA 0.771 5.116 4.340 0.010 0.000 0.289 696 L C -0.299 176.885 176.870 0.523 0.000 1.032 696 L CA 0.319 55.422 54.840 0.439 0.000 0.810 696 L CB 1.007 43.262 42.059 0.326 0.000 1.205 696 L HN 0.373 nan 8.230 nan 0.000 0.422 697 T N 5.220 120.021 114.554 0.411 0.000 2.809 697 T HA 0.569 4.925 4.350 0.010 0.000 0.284 697 T C -0.644 174.242 174.700 0.310 0.000 0.992 697 T CA -0.466 61.822 62.100 0.313 0.000 0.957 697 T CB 1.396 70.372 68.868 0.180 0.000 0.942 697 T HN 0.572 nan 8.240 nan 0.000 0.439 698 V N 2.058 122.117 119.914 0.243 0.000 2.581 698 V HA 0.841 4.966 4.120 0.010 0.000 0.303 698 V C -0.614 175.549 176.094 0.115 0.000 1.041 698 V CA -1.022 61.382 62.300 0.173 0.000 0.907 698 V CB 1.719 33.578 31.823 0.059 0.000 0.994 698 V HN 0.805 nan 8.190 nan 0.000 0.442 699 R N 2.822 123.428 120.500 0.177 0.000 2.686 699 R HA 0.786 5.131 4.340 0.010 0.000 0.283 699 R C -1.502 174.902 176.300 0.173 0.000 0.978 699 R CA -0.662 55.553 56.100 0.192 0.000 0.897 699 R CB 2.622 32.991 30.300 0.115 0.000 1.192 699 R HN 0.749 nan 8.270 nan 0.000 0.457 700 V N 3.994 124.034 119.914 0.211 0.000 2.427 700 V HA 0.454 4.579 4.120 0.010 0.000 0.286 700 V C -0.291 175.845 176.094 0.070 0.000 1.034 700 V CA -0.577 61.814 62.300 0.150 0.000 0.893 700 V CB 1.667 33.594 31.823 0.173 0.000 0.982 700 V HN 0.448 nan 8.190 nan 0.000 0.452 701 V N 3.940 123.850 119.914 -0.007 0.000 2.769 701 V HA 0.489 4.615 4.120 0.010 0.000 0.312 701 V C -0.509 175.606 176.094 0.035 0.000 1.061 701 V CA -0.889 61.377 62.300 -0.056 0.000 0.931 701 V CB 1.890 33.523 31.823 -0.316 0.000 1.010 701 V HN 0.858 nan 8.190 nan 0.000 0.433 702 Q N 3.682 123.525 119.800 0.071 0.000 2.509 702 Q HA 0.295 4.641 4.340 0.010 0.000 0.230 702 Q C -1.775 174.251 176.000 0.044 0.000 1.089 702 Q CA -1.836 54.019 55.803 0.086 0.000 0.901 702 Q CB 1.763 30.581 28.738 0.132 0.000 1.208 702 Q HN 0.532 nan 8.270 nan 0.000 0.529 703 P HA -0.235 nan 4.420 nan 0.000 0.216 703 P C -0.579 176.731 177.300 0.015 0.000 1.157 703 P CA 1.413 64.534 63.100 0.036 0.000 0.880 703 P CB 0.223 31.951 31.700 0.047 0.000 0.791 704 N N -0.583 118.118 118.700 0.003 0.000 2.498 704 N HA 0.426 5.172 4.740 0.010 0.000 0.287 704 N C -0.341 175.125 175.510 -0.072 0.000 1.097 704 N CA -0.619 52.417 53.050 -0.024 0.000 0.973 704 N CB 0.763 39.240 38.487 -0.016 0.000 1.153 704 N HN 0.011 nan 8.380 nan 0.000 0.472 705 A N 0.899 123.670 122.820 -0.082 0.000 2.371 705 A HA 0.499 4.825 4.320 0.010 0.000 0.257 705 A C 0.604 178.078 177.584 -0.184 0.000 1.089 705 A CA -0.236 51.717 52.037 -0.140 0.000 0.794 705 A CB 0.034 18.977 19.000 -0.096 0.000 1.029 705 A HN 0.720 nan 8.150 nan 0.000 0.488 706 T N -2.209 112.148 114.554 -0.329 0.000 2.807 706 T HA 0.626 4.982 4.350 0.010 0.000 0.277 706 T C 1.033 175.559 174.700 -0.290 0.000 1.006 706 T CA 0.040 61.919 62.100 -0.368 0.000 1.006 706 T CB 1.142 69.546 68.868 -0.773 0.000 1.274 706 T HN 1.257 nan 8.240 nan 0.000 0.569 707 A N -0.227 122.510 122.820 -0.138 0.000 2.121 707 A HA 0.136 4.462 4.320 0.010 0.000 0.218 707 A C 1.535 179.241 177.584 0.204 0.000 1.154 707 A CA 0.975 53.063 52.037 0.086 0.000 0.679 707 A CB -0.856 18.255 19.000 0.185 0.000 0.795 707 A HN 0.924 nan 8.150 nan 0.000 0.458 708 W N -1.242 120.117 121.300 0.097 0.000 2.324 708 W HA 0.399 5.065 4.660 0.010 0.000 0.316 708 W C -0.043 176.454 176.519 -0.037 0.000 0.927 708 W CA 0.479 57.862 57.345 0.063 0.000 1.438 708 W CB -1.003 28.501 29.460 0.073 0.000 1.085 708 W HN 0.371 nan 8.180 nan 0.000 0.532 709 S N 0.301 115.385 115.700 -1.027 0.000 2.599 709 S HA 0.572 5.048 4.470 0.010 0.000 0.294 709 S C -0.887 173.441 174.600 -0.452 0.000 1.094 709 S CA -0.395 57.252 58.200 -0.921 0.000 0.931 709 S CB 3.187 65.413 63.200 -1.622 0.000 1.093 709 S HN 0.148 nan 8.310 nan 0.000 0.488 710 E N 0.346 120.392 120.200 -0.256 0.000 2.250 710 E HA 0.651 5.006 4.350 0.010 0.000 0.265 710 E C 0.069 176.630 176.600 -0.066 0.000 1.033 710 E CA -1.023 55.312 56.400 -0.109 0.000 0.888 710 E CB 1.651 31.337 29.700 -0.022 0.000 1.151 710 E HN 0.915 nan 8.360 nan 0.000 0.412 711 A N 0.420 123.219 122.820 -0.037 0.000 2.466 711 A HA 0.406 4.732 4.320 0.010 0.000 0.238 711 A C 0.907 178.508 177.584 0.028 0.000 1.074 711 A CA 0.639 52.670 52.037 -0.010 0.000 0.774 711 A CB -0.362 18.633 19.000 -0.009 0.000 1.015 711 A HN 0.836 nan 8.150 nan 0.000 0.498 712 G N 0.150 108.970 108.800 0.034 0.000 2.249 712 G HA2 -0.246 3.720 3.960 0.010 0.000 0.273 712 G HA3 -0.246 3.720 3.960 0.010 0.000 0.273 712 G C 0.050 174.981 174.900 0.052 0.000 1.036 712 G CA 0.939 46.054 45.100 0.026 0.000 0.824 712 G HN 1.791 nan 8.290 nan 0.000 0.504 713 H N -0.523 118.541 119.070 -0.010 0.000 2.580 713 H HA 0.591 5.152 4.556 0.009 0.000 0.322 713 H C 0.478 175.852 175.328 0.077 0.000 1.082 713 H CA -0.842 55.225 56.048 0.030 0.000 1.383 713 H CB 0.450 30.220 29.762 0.013 0.000 1.450 713 H HN 0.144 nan 8.280 nan 0.000 0.505 714 I N 4.319 124.645 120.570 -0.406 0.000 2.371 714 I HA 0.040 4.216 4.170 0.010 0.000 0.290 714 I C 1.060 177.008 176.117 -0.282 0.000 1.028 714 I CA 0.399 61.576 61.300 -0.205 0.000 1.345 714 I CB 1.708 39.671 38.000 -0.061 0.000 1.407 714 I HN 0.837 nan 8.210 nan 0.000 0.501 715 S N 3.769 119.522 115.700 0.089 0.000 2.505 715 S HA 0.703 5.179 4.470 0.010 0.000 0.216 715 S C 0.474 175.254 174.600 0.301 0.000 1.018 715 S CA 0.173 58.539 58.200 0.277 0.000 0.911 715 S CB 0.416 63.898 63.200 0.470 0.000 0.818 715 S HN 0.759 nan 8.310 nan 0.000 0.497 716 A N 0.571 123.594 122.820 0.338 0.000 2.599 716 A HA 0.632 4.958 4.320 0.010 0.000 0.294 716 A C -1.856 175.956 177.584 0.381 0.000 1.055 716 A CA -0.903 51.264 52.037 0.217 0.000 0.683 716 A CB 0.369 19.609 19.000 0.401 0.000 1.278 716 A HN 0.849 nan 8.150 nan 0.000 0.412 717 W N -0.043 121.399 121.300 0.236 0.000 3.075 717 W HA 0.856 5.523 4.660 0.010 0.000 0.334 717 W C -1.159 175.391 176.519 0.051 0.000 1.243 717 W CA -0.734 56.655 57.345 0.073 0.000 1.170 717 W CB 1.372 30.820 29.460 -0.020 0.000 1.452 717 W HN 0.833 nan 8.180 nan 0.000 0.572 718 Q N 1.361 121.163 119.800 0.003 0.000 2.386 718 Q HA 0.374 4.720 4.340 0.010 0.000 0.274 718 Q C -1.424 174.365 176.000 -0.350 0.000 1.011 718 Q CA -0.511 55.112 55.803 -0.300 0.000 0.867 718 Q CB 2.659 30.978 28.738 -0.697 0.000 1.409 718 Q HN 0.633 nan 8.270 nan 0.000 0.395 719 Q N 1.510 121.078 119.800 -0.387 0.000 2.399 719 Q HA 0.694 5.040 4.340 0.010 0.000 0.276 719 Q C -1.269 174.593 176.000 -0.230 0.000 1.098 719 Q CA -0.646 55.112 55.803 -0.075 0.000 0.827 719 Q CB 1.967 30.821 28.738 0.194 0.000 1.386 719 Q HN 0.610 nan 8.270 nan 0.000 0.443 720 W N 1.390 122.885 121.300 0.325 0.000 3.425 720 W HA 0.368 5.034 4.660 0.009 0.000 0.318 720 W C -0.569 175.946 176.519 -0.007 0.000 1.201 720 W CA -0.669 56.770 57.345 0.157 0.000 1.212 720 W CB 1.581 31.078 29.460 0.063 0.000 1.355 720 W HN 0.475 nan 8.180 nan 0.000 0.515 721 R N 2.818 123.190 120.500 -0.213 0.000 2.316 721 R HA 0.162 4.508 4.340 0.010 0.000 0.314 721 R C 1.004 177.100 176.300 -0.340 0.000 1.069 721 R CA -0.111 55.465 56.100 -0.873 0.000 0.959 721 R CB 0.756 30.465 30.300 -0.985 0.000 0.987 721 R HN 0.512 nan 8.270 nan 0.000 0.446 722 L N 2.350 123.401 121.223 -0.286 0.000 1.995 722 L HA 0.167 4.513 4.340 0.010 0.000 0.206 722 L C 0.627 177.420 176.870 -0.127 0.000 1.098 722 L CA 1.317 56.085 54.840 -0.119 0.000 0.762 722 L CB -0.323 41.716 42.059 -0.033 0.000 0.900 722 L HN 0.702 nan 8.230 nan 0.000 0.441 723 A N -0.652 122.093 122.820 -0.124 0.000 2.594 723 A HA 0.488 4.814 4.320 0.010 0.000 0.295 723 A C -1.070 176.462 177.584 -0.086 0.000 1.071 723 A CA -0.488 51.494 52.037 -0.091 0.000 0.685 723 A CB 1.830 20.800 19.000 -0.050 0.000 1.285 723 A HN 0.248 nan 8.150 nan 0.000 0.405 724 E N 0.589 120.749 120.200 -0.066 0.000 2.191 724 E HA 0.402 4.757 4.350 0.010 0.000 0.274 724 E C -1.054 175.543 176.600 -0.005 0.000 0.948 724 E CA -0.620 55.758 56.400 -0.036 0.000 0.802 724 E CB 0.912 30.586 29.700 -0.043 0.000 1.137 724 E HN 0.536 nan 8.360 nan 0.000 0.397 725 N N 4.590 123.301 118.700 0.018 0.000 3.012 725 N HA 0.215 4.961 4.740 0.010 0.000 0.270 725 N C -0.845 174.685 175.510 0.033 0.000 1.469 725 N CA -0.246 52.819 53.050 0.025 0.000 0.928 725 N CB 0.357 38.862 38.487 0.029 0.000 1.219 725 N HN 0.506 nan 8.380 nan 0.000 0.492 726 L N 0.779 122.018 121.223 0.027 0.000 2.653 726 L HA -0.090 4.255 4.340 0.010 0.000 0.288 726 L C 1.266 178.158 176.870 0.036 0.000 1.243 726 L CA 0.539 55.398 54.840 0.033 0.000 0.906 726 L CB 0.021 42.097 42.059 0.028 0.000 1.154 726 L HN 0.226 nan 8.230 nan 0.000 0.498 727 S N 2.741 118.467 115.700 0.044 0.000 2.422 727 S HA 0.308 4.784 4.470 0.010 0.000 0.283 727 S C 0.760 175.384 174.600 0.040 0.000 1.163 727 S CA -0.796 57.431 58.200 0.045 0.000 1.054 727 S CB 0.769 64.002 63.200 0.055 0.000 0.967 727 S HN 0.459 nan 8.310 nan 0.000 0.499 728 V N 2.515 122.450 119.914 0.034 0.000 3.661 728 V HA 0.253 4.379 4.120 0.010 0.000 0.271 728 V C 1.150 177.262 176.094 0.030 0.000 1.315 728 V CA 0.262 62.581 62.300 0.030 0.000 1.072 728 V CB -1.245 30.593 31.823 0.025 0.000 0.830 728 V HN 0.892 nan 8.190 nan 0.000 0.443 729 T N 1.055 115.629 114.554 0.032 0.000 2.940 729 T HA 0.447 4.803 4.350 0.010 0.000 0.309 729 T C -0.321 174.399 174.700 0.034 0.000 1.056 729 T CA 0.065 62.184 62.100 0.031 0.000 1.137 729 T CB 0.722 69.610 68.868 0.033 0.000 0.976 729 T HN 0.266 nan 8.240 nan 0.000 0.547 730 L N 3.805 125.047 121.223 0.031 0.000 2.358 730 L HA 0.603 4.949 4.340 0.010 0.000 0.268 730 L C -1.610 175.281 176.870 0.035 0.000 1.032 730 L CA -2.099 52.760 54.840 0.032 0.000 0.805 730 L CB 0.660 42.735 42.059 0.027 0.000 1.253 730 L HN 0.656 nan 8.230 nan 0.000 0.452 731 P HA 0.392 nan 4.420 nan 0.000 0.286 731 P C -1.091 176.233 177.300 0.040 0.000 1.261 731 P CA -0.631 62.495 63.100 0.044 0.000 0.821 731 P CB 1.172 32.902 31.700 0.051 0.000 1.013 732 A N 2.113 124.959 122.820 0.043 0.000 2.498 732 A HA 0.449 4.775 4.320 0.010 0.000 0.239 732 A C 0.626 178.239 177.584 0.049 0.000 1.068 732 A CA -0.034 52.026 52.037 0.038 0.000 0.766 732 A CB -0.462 18.564 19.000 0.042 0.000 1.003 732 A HN 0.702 nan 8.150 nan 0.000 0.497 733 A N 2.601 125.441 122.820 0.033 0.000 2.450 733 A HA 0.506 4.832 4.320 0.010 0.000 0.255 733 A C 0.678 178.321 177.584 0.099 0.000 1.096 733 A CA -0.124 51.941 52.037 0.047 0.000 0.778 733 A CB -0.194 18.819 19.000 0.022 0.000 1.031 733 A HN 1.025 nan 8.150 nan 0.000 0.494 734 S N 2.184 117.965 115.700 0.134 0.000 2.474 734 S HA 0.240 4.716 4.470 0.010 0.000 0.276 734 S C 0.473 175.232 174.600 0.266 0.000 1.227 734 S CA -0.485 57.851 58.200 0.226 0.000 1.050 734 S CB 0.205 63.484 63.200 0.132 0.000 0.939 734 S HN 0.734 nan 8.310 nan 0.000 0.490 735 H N 0.532 119.619 119.070 0.028 0.000 2.611 735 H HA 0.510 5.072 4.556 0.010 0.000 0.283 735 H C 0.359 175.706 175.328 0.031 0.000 1.075 735 H CA -0.252 55.812 56.048 0.026 0.000 1.184 735 H CB -1.155 28.619 29.762 0.020 0.000 1.294 735 H HN 0.603 nan 8.280 nan 0.000 0.619 736 A N 0.541 123.426 122.820 0.110 0.000 2.572 736 A HA 0.635 4.961 4.320 0.010 0.000 0.295 736 A C -1.102 176.534 177.584 0.087 0.000 1.072 736 A CA -0.787 51.292 52.037 0.069 0.000 0.691 736 A CB 2.111 21.122 19.000 0.019 0.000 1.291 736 A HN 0.269 nan 8.150 nan 0.000 0.404 737 I N 2.318 122.954 120.570 0.109 0.000 2.533 737 I HA 0.502 4.678 4.170 0.010 0.000 0.290 737 I C -2.582 173.647 176.117 0.187 0.000 1.056 737 I CA -2.439 58.927 61.300 0.111 0.000 1.057 737 I CB 2.652 40.698 38.000 0.077 0.000 1.240 737 I HN 0.463 nan 8.210 nan 0.000 0.423 738 P HA 0.146 nan 4.420 nan 0.000 0.269 738 P C -1.149 176.277 177.300 0.210 0.000 1.209 738 P CA 0.262 63.471 63.100 0.183 0.000 0.776 738 P CB 0.391 32.138 31.700 0.079 0.000 0.876 739 H N 1.506 120.607 119.070 0.052 0.000 2.541 739 H HA 0.241 4.803 4.556 0.010 0.000 0.316 739 H C -0.102 175.255 175.328 0.049 0.000 1.043 739 H CA -0.942 55.129 56.048 0.039 0.000 1.232 739 H CB 1.430 31.214 29.762 0.037 0.000 1.406 739 H HN 0.277 nan 8.280 nan 0.000 0.469 740 L N 3.199 124.440 121.223 0.030 0.000 2.418 740 L HA 0.261 4.607 4.340 0.010 0.000 0.265 740 L C -0.067 176.842 176.870 0.064 0.000 1.143 740 L CA 0.264 55.121 54.840 0.029 0.000 0.809 740 L CB 1.252 43.278 42.059 -0.055 0.000 1.124 740 L HN 0.589 nan 8.230 nan 0.000 0.456 741 T N 3.059 117.676 114.554 0.105 0.000 3.578 741 T HA 0.324 4.680 4.350 0.010 0.000 0.329 741 T C -0.618 174.169 174.700 0.145 0.000 0.913 741 T CA -0.526 61.637 62.100 0.105 0.000 1.029 741 T CB 0.831 69.751 68.868 0.087 0.000 1.045 741 T HN 0.736 nan 8.240 nan 0.000 0.460 742 T N 2.562 117.198 114.554 0.137 0.000 2.927 742 T HA 0.887 5.243 4.350 0.010 0.000 0.281 742 T C 0.080 174.817 174.700 0.062 0.000 0.998 742 T CA -0.821 61.377 62.100 0.164 0.000 1.019 742 T CB 1.428 70.433 68.868 0.228 0.000 1.061 742 T HN 0.714 nan 8.240 nan 0.000 0.518 743 S N -0.440 115.260 115.700 -0.000 0.000 2.672 743 S HA 0.403 4.879 4.470 0.010 0.000 0.271 743 S C 0.501 175.033 174.600 -0.113 0.000 1.171 743 S CA -0.996 57.178 58.200 -0.044 0.000 0.817 743 S CB 1.687 64.865 63.200 -0.036 0.000 1.150 743 S HN 0.684 nan 8.310 nan 0.000 0.478 744 E N -0.801 119.347 120.200 -0.088 0.000 2.285 744 E HA 0.004 4.359 4.350 0.010 0.000 0.194 744 E C 0.800 177.315 176.600 -0.142 0.000 0.997 744 E CA 0.736 57.075 56.400 -0.100 0.000 0.845 744 E CB -0.060 29.607 29.700 -0.056 0.000 0.782 744 E HN 0.436 nan 8.360 nan 0.000 0.491 745 M N 0.549 120.069 119.600 -0.133 0.000 2.556 745 M HA 0.092 4.577 4.480 0.010 0.000 0.264 745 M C -0.600 175.601 176.300 -0.165 0.000 1.163 745 M CA 0.902 56.133 55.300 -0.116 0.000 1.186 745 M CB 0.337 32.905 32.600 -0.053 0.000 1.321 745 M HN -0.042 nan 8.290 nan 0.000 0.485 746 D N -2.272 118.007 120.400 -0.202 0.000 2.706 746 D HA 0.302 4.948 4.640 0.010 0.000 0.225 746 D C -1.256 174.950 176.300 -0.155 0.000 1.241 746 D CA -0.454 53.431 54.000 -0.192 0.000 0.784 746 D CB 0.411 41.216 40.800 0.008 0.000 1.521 746 D HN -0.069 nan 8.370 nan 0.000 0.461 747 F N 0.379 120.392 119.950 0.105 0.000 2.404 747 F HA 0.513 5.046 4.527 0.010 0.000 0.345 747 F C 0.169 176.064 175.800 0.157 0.000 1.110 747 F CA -0.573 57.478 58.000 0.085 0.000 1.130 747 F CB 1.018 40.034 39.000 0.028 0.000 1.129 747 F HN 0.355 nan 8.300 nan 0.000 0.500 748 C N 4.305 123.796 119.300 0.318 0.000 2.561 748 C HA 0.815 5.281 4.460 0.010 0.000 0.319 748 C C -0.424 174.718 174.990 0.254 0.000 1.198 748 C CA -1.102 58.083 59.018 0.277 0.000 1.665 748 C CB 1.121 28.961 27.740 0.166 0.000 2.258 748 C HN 0.593 nan 8.230 nan 0.000 0.493 749 I N 1.699 122.468 120.570 0.332 0.000 2.569 749 I HA 0.568 4.744 4.170 0.010 0.000 0.290 749 I C -0.439 175.933 176.117 0.425 0.000 1.088 749 I CA -0.176 61.325 61.300 0.336 0.000 1.047 749 I CB 1.786 39.951 38.000 0.274 0.000 1.237 749 I HN 0.813 nan 8.210 nan 0.000 0.421 750 E N 5.700 126.091 120.200 0.318 0.000 2.292 750 E HA 0.767 5.123 4.350 0.010 0.000 0.272 750 E C -1.948 174.798 176.600 0.243 0.000 0.881 750 E CA -0.755 55.790 56.400 0.243 0.000 0.754 750 E CB 2.091 31.844 29.700 0.089 0.000 1.201 750 E HN 0.500 nan 8.360 nan 0.000 0.425 751 L N 5.254 126.613 121.223 0.226 0.000 2.617 751 L HA 0.568 4.913 4.340 0.010 0.000 0.259 751 L C 0.194 177.108 176.870 0.075 0.000 0.995 751 L CA 0.957 55.904 54.840 0.177 0.000 0.899 751 L CB 0.959 43.204 42.059 0.309 0.000 1.181 751 L HN 0.824 nan 8.230 nan 0.000 0.437 752 G N 4.379 113.178 108.800 -0.001 0.000 2.565 752 G HA2 -0.426 3.540 3.960 0.010 0.000 0.295 752 G HA3 -0.426 3.540 3.960 0.010 0.000 0.295 752 G C 0.611 175.477 174.900 -0.057 0.000 1.165 752 G CA 0.564 45.642 45.100 -0.038 0.000 0.977 752 G HN 1.066 nan 8.290 nan 0.000 0.546 753 N N 1.625 120.285 118.700 -0.065 0.000 2.461 753 N HA 0.085 4.831 4.740 0.010 0.000 0.188 753 N C 0.529 175.969 175.510 -0.117 0.000 1.134 753 N CA 1.057 54.058 53.050 -0.081 0.000 0.878 753 N CB 0.093 38.538 38.487 -0.071 0.000 0.972 753 N HN 0.765 nan 8.380 nan 0.000 0.456 754 K N 0.984 121.292 120.400 -0.153 0.000 2.123 754 K HA 0.489 4.815 4.320 0.010 0.000 0.259 754 K C -0.082 176.327 176.600 -0.319 0.000 0.960 754 K CA -0.704 55.374 56.287 -0.348 0.000 0.872 754 K CB 1.470 33.665 32.500 -0.508 0.000 1.079 754 K HN 0.105 nan 8.250 nan 0.000 0.440 755 R N 2.223 122.437 120.500 -0.476 0.000 2.563 755 R HA 0.305 4.651 4.340 0.010 0.000 0.262 755 R C -1.565 174.712 176.300 -0.038 0.000 1.128 755 R CA -0.762 55.287 56.100 -0.085 0.000 0.969 755 R CB 0.720 30.993 30.300 -0.046 0.000 1.251 755 R HN 0.613 nan 8.270 nan 0.000 0.442 756 W N 2.156 123.613 121.300 0.261 0.000 2.761 756 W HA 0.426 5.092 4.660 0.010 0.000 0.340 756 W C -0.280 176.422 176.519 0.304 0.000 1.072 756 W CA -0.692 56.785 57.345 0.220 0.000 1.215 756 W CB 2.607 32.173 29.460 0.177 0.000 1.420 756 W HN 0.561 nan 8.180 nan 0.000 0.519 757 Q N 2.181 122.244 119.800 0.438 0.000 2.304 757 Q HA 0.444 4.789 4.340 0.010 0.000 0.270 757 Q C -2.073 173.995 176.000 0.113 0.000 1.035 757 Q CA -0.490 55.537 55.803 0.373 0.000 0.781 757 Q CB 1.576 30.580 28.738 0.442 0.000 1.261 757 Q HN 0.324 nan 8.270 nan 0.000 0.444 758 F N 2.734 122.788 119.950 0.173 0.000 2.411 758 F HA 0.328 4.861 4.527 0.010 0.000 0.352 758 F C 0.516 176.362 175.800 0.075 0.000 1.123 758 F CA -0.785 57.281 58.000 0.110 0.000 1.044 758 F CB 1.422 40.473 39.000 0.085 0.000 1.135 758 F HN 0.550 nan 8.300 nan 0.000 0.461 759 N N 4.158 122.961 118.700 0.172 0.000 2.411 759 N HA 0.068 4.814 4.740 0.010 0.000 0.259 759 N C 1.039 176.564 175.510 0.025 0.000 1.103 759 N CA -0.177 52.923 53.050 0.083 0.000 0.954 759 N CB 0.641 39.177 38.487 0.082 0.000 1.085 759 N HN 0.699 nan 8.380 nan 0.000 0.485 760 R N 1.559 121.991 120.500 -0.112 0.000 2.249 760 R HA -0.158 4.188 4.340 0.010 0.000 0.230 760 R C 1.710 177.937 176.300 -0.121 0.000 1.121 760 R CA 0.990 56.957 56.100 -0.221 0.000 0.997 760 R CB 0.099 30.135 30.300 -0.439 0.000 0.867 760 R HN 0.696 nan 8.270 nan 0.000 0.465 761 Q N 0.504 120.262 119.800 -0.069 0.000 2.200 761 Q HA -0.058 4.288 4.340 0.010 0.000 0.197 761 Q C 1.935 177.913 176.000 -0.037 0.000 0.953 761 Q CA 1.727 57.502 55.803 -0.046 0.000 0.851 761 Q CB 0.181 28.905 28.738 -0.023 0.000 0.938 761 Q HN 0.299 nan 8.270 nan 0.000 0.488 762 S N -1.058 114.645 115.700 0.005 0.000 2.377 762 S HA 0.135 4.611 4.470 0.010 0.000 0.223 762 S C 1.556 176.035 174.600 -0.202 0.000 1.030 762 S CA 1.257 59.473 58.200 0.027 0.000 0.970 762 S CB -0.066 63.279 63.200 0.241 0.000 0.830 762 S HN 0.672 nan 8.310 nan 0.000 0.473 763 G N 0.190 108.879 108.800 -0.185 0.000 2.176 763 G HA2 -0.181 3.785 3.960 0.010 0.000 0.232 763 G HA3 -0.181 3.785 3.960 0.010 0.000 0.232 763 G C -0.019 174.806 174.900 -0.124 0.000 0.986 763 G CA -0.018 44.950 45.100 -0.220 0.000 0.643 763 G HN 0.519 nan 8.290 nan 0.000 0.522 764 F N -0.512 119.618 119.950 0.299 0.000 2.408 764 F HA 0.668 5.201 4.527 0.010 0.000 0.325 764 F C 0.716 176.482 175.800 -0.057 0.000 1.082 764 F CA -1.135 56.978 58.000 0.188 0.000 1.032 764 F CB 1.284 40.368 39.000 0.139 0.000 1.259 764 F HN 0.033 nan 8.300 nan 0.000 0.503 765 L N 1.766 122.952 121.223 -0.061 0.000 2.358 765 L HA 0.243 4.589 4.340 0.010 0.000 0.274 765 L C 0.944 177.683 176.870 -0.219 0.000 1.136 765 L CA 0.069 54.511 54.840 -0.662 0.000 0.970 765 L CB 0.112 41.551 42.059 -1.034 0.000 1.314 765 L HN 0.643 nan 8.230 nan 0.000 0.427 766 S N 2.015 117.642 115.700 -0.121 0.000 2.481 766 S HA 0.063 4.539 4.470 0.010 0.000 0.231 766 S C 0.712 175.231 174.600 -0.136 0.000 0.996 766 S CA 0.475 58.648 58.200 -0.046 0.000 0.942 766 S CB -0.223 62.995 63.200 0.029 0.000 0.768 766 S HN 0.732 nan 8.310 nan 0.000 0.520 767 Q N -0.561 119.120 119.800 -0.197 0.000 2.721 767 Q HA 0.631 4.976 4.340 0.010 0.000 0.282 767 Q C -1.805 173.959 176.000 -0.393 0.000 0.932 767 Q CA -0.458 55.108 55.803 -0.395 0.000 0.816 767 Q CB 1.470 29.837 28.738 -0.618 0.000 1.506 767 Q HN 0.355 nan 8.270 nan 0.000 0.399 768 M N 2.007 121.194 119.600 -0.689 0.000 2.413 768 M HA 0.523 5.009 4.480 0.010 0.000 0.287 768 M C -2.013 173.899 176.300 -0.647 0.000 1.186 768 M CA -0.232 54.758 55.300 -0.518 0.000 0.927 768 M CB 1.520 33.799 32.600 -0.535 0.000 1.715 768 M HN 0.738 nan 8.290 nan 0.000 0.478 769 W N 5.315 126.407 121.300 -0.347 0.000 2.666 769 W HA 0.559 5.225 4.660 0.010 0.000 0.334 769 W C -0.762 175.568 176.519 -0.316 0.000 1.051 769 W CA -0.879 56.310 57.345 -0.259 0.000 1.224 769 W CB 1.737 31.082 29.460 -0.190 0.000 1.405 769 W HN 0.499 nan 8.180 nan 0.000 0.513 770 I N 3.776 124.332 120.570 -0.023 0.000 2.428 770 I HA 0.327 4.503 4.170 0.010 0.000 0.279 770 I C 0.853 176.947 176.117 -0.038 0.000 1.040 770 I CA -0.060 61.187 61.300 -0.088 0.000 1.171 770 I CB 0.415 38.338 38.000 -0.128 0.000 1.312 770 I HN 0.795 nan 8.210 nan 0.000 0.470 771 G N 6.529 115.304 108.800 -0.041 0.000 2.543 771 G HA2 -0.264 3.702 3.960 0.010 0.000 0.286 771 G HA3 -0.264 3.702 3.960 0.010 0.000 0.286 771 G C 0.306 175.217 174.900 0.019 0.000 1.153 771 G CA 0.299 45.381 45.100 -0.030 0.000 0.968 771 G HN 0.559 nan 8.290 nan 0.000 0.544 772 D N 1.831 122.250 120.400 0.031 0.000 2.388 772 D HA 0.260 4.906 4.640 0.010 0.000 0.221 772 D C 0.565 176.959 176.300 0.157 0.000 1.133 772 D CA 0.397 54.443 54.000 0.078 0.000 0.831 772 D CB 0.457 41.269 40.800 0.021 0.000 0.962 772 D HN 0.325 nan 8.370 nan 0.000 0.502 773 K N 0.904 121.374 120.400 0.116 0.000 2.185 773 K HA 0.296 4.621 4.320 0.010 0.000 0.269 773 K C 0.107 176.674 176.600 -0.055 0.000 0.987 773 K CA -0.447 55.862 56.287 0.038 0.000 0.865 773 K CB 2.109 34.593 32.500 -0.028 0.000 1.090 773 K HN -0.248 nan 8.250 nan 0.000 0.450 774 K N 2.403 122.697 120.400 -0.178 0.000 2.276 774 K HA 0.079 4.405 4.320 0.010 0.000 0.283 774 K C 0.561 176.974 176.600 -0.310 0.000 1.044 774 K CA -0.387 55.609 56.287 -0.485 0.000 0.944 774 K CB 1.024 33.266 32.500 -0.431 0.000 1.012 774 K HN 0.454 nan 8.250 nan 0.000 0.472 775 Q N 1.423 121.010 119.800 -0.354 0.000 2.390 775 Q HA 0.163 4.509 4.340 0.010 0.000 0.216 775 Q C 0.391 176.328 176.000 -0.105 0.000 0.916 775 Q CA 0.710 56.433 55.803 -0.134 0.000 0.911 775 Q CB 0.287 29.009 28.738 -0.028 0.000 1.035 775 Q HN 0.504 nan 8.270 nan 0.000 0.541 776 L N 0.712 121.811 121.223 -0.208 0.000 2.334 776 L HA 0.311 4.657 4.340 0.010 0.000 0.275 776 L C 1.203 177.956 176.870 -0.194 0.000 1.036 776 L CA -0.332 54.408 54.840 -0.166 0.000 0.807 776 L CB 1.242 43.211 42.059 -0.150 0.000 1.231 776 L HN -0.051 nan 8.230 nan 0.000 0.438 777 L N 0.549 121.654 121.223 -0.196 0.000 2.537 777 L HA 0.187 4.533 4.340 0.010 0.000 0.224 777 L C 0.534 177.302 176.870 -0.171 0.000 1.065 777 L CA 0.576 55.298 54.840 -0.198 0.000 0.860 777 L CB 0.600 42.505 42.059 -0.257 0.000 1.086 777 L HN 0.822 nan 8.230 nan 0.000 0.482 778 T N -1.954 112.493 114.554 -0.179 0.000 2.982 778 T HA 0.479 4.835 4.350 0.010 0.000 0.321 778 T C -2.987 171.661 174.700 -0.087 0.000 1.229 778 T CA -1.687 60.350 62.100 -0.104 0.000 1.044 778 T CB 2.629 71.467 68.868 -0.050 0.000 1.184 778 T HN -0.273 nan 8.240 nan 0.000 0.477 779 P HA 0.301 nan 4.420 nan 0.000 0.274 779 P C -0.213 177.049 177.300 -0.063 0.000 1.237 779 P CA -0.807 62.266 63.100 -0.046 0.000 0.793 779 P CB 0.409 32.109 31.700 0.000 0.000 0.977 780 L N 3.284 124.513 121.223 0.011 0.000 2.597 780 L HA 0.069 4.414 4.340 0.010 0.000 0.271 780 L C 0.552 177.339 176.870 -0.138 0.000 1.157 780 L CA 0.801 55.668 54.840 0.045 0.000 0.928 780 L CB -0.884 41.320 42.059 0.241 0.000 1.216 780 L HN 0.381 nan 8.230 nan 0.000 0.481 781 R N 2.879 123.201 120.500 -0.296 0.000 2.807 781 R HA 0.561 4.906 4.340 0.010 0.000 0.276 781 R C -0.781 175.328 176.300 -0.318 0.000 0.979 781 R CA -1.041 54.695 56.100 -0.607 0.000 0.928 781 R CB 1.076 30.744 30.300 -1.055 0.000 1.191 781 R HN 0.418 nan 8.270 nan 0.000 0.471 782 D N 1.159 121.419 120.400 -0.233 0.000 2.390 782 D HA -0.027 4.619 4.640 0.010 0.000 0.236 782 D C -0.555 175.287 176.300 -0.762 0.000 1.189 782 D CA 0.799 54.529 54.000 -0.449 0.000 0.887 782 D CB 0.963 41.470 40.800 -0.488 0.000 1.198 782 D HN 0.331 nan 8.370 nan 0.000 0.444 783 Q N 0.683 119.771 119.800 -1.187 0.000 2.268 783 Q HA 0.233 4.579 4.340 0.010 0.000 0.266 783 Q C -0.922 174.175 176.000 -1.504 0.000 1.006 783 Q CA -0.471 54.671 55.803 -1.102 0.000 0.824 783 Q CB 1.152 29.523 28.738 -0.613 0.000 1.306 783 Q HN 0.406 nan 8.270 nan 0.000 0.424 784 F N -0.135 119.370 119.950 -0.741 0.000 2.798 784 F HA 0.185 4.718 4.527 0.009 0.000 0.328 784 F C 0.693 176.056 175.800 -0.728 0.000 1.098 784 F CA -0.232 57.270 58.000 -0.830 0.000 1.172 784 F CB 1.451 39.643 39.000 -1.347 0.000 1.072 784 F HN 0.349 nan 8.300 nan 0.000 0.555 785 T N -0.499 113.726 114.554 -0.549 0.000 2.926 785 T HA 0.817 5.173 4.350 0.010 0.000 0.289 785 T C -0.524 173.901 174.700 -0.458 0.000 1.054 785 T CA -0.965 60.757 62.100 -0.631 0.000 1.015 785 T CB 2.645 71.098 68.868 -0.692 0.000 1.167 785 T HN 0.262 nan 8.240 nan 0.000 0.526 786 R N -0.370 119.916 120.500 -0.357 0.000 2.771 786 R HA 0.775 5.121 4.340 0.010 0.000 0.274 786 R C -0.973 175.380 176.300 0.089 0.000 0.987 786 R CA -1.276 54.747 56.100 -0.128 0.000 0.908 786 R CB 1.522 31.757 30.300 -0.109 0.000 1.213 786 R HN 0.790 nan 8.270 nan 0.000 0.468 787 A N 3.508 126.371 122.820 0.072 0.000 2.438 787 A HA 0.315 4.641 4.320 0.010 0.000 0.280 787 A C -1.993 175.678 177.584 0.145 0.000 1.160 787 A CA -1.530 50.569 52.037 0.103 0.000 0.821 787 A CB -0.547 18.453 19.000 0.000 0.000 1.101 787 A HN 0.564 nan 8.150 nan 0.000 0.515 788 P HA -0.100 nan 4.420 nan 0.000 0.260 788 P C -0.231 177.184 177.300 0.193 0.000 1.147 788 P CA 0.849 64.118 63.100 0.282 0.000 0.758 788 P CB 0.149 32.022 31.700 0.287 0.000 0.744 789 L N 2.960 124.267 121.223 0.140 0.000 2.453 789 L HA 0.118 4.463 4.340 0.010 0.000 0.261 789 L C 1.936 178.813 176.870 0.012 0.000 1.179 789 L CA -0.291 54.558 54.840 0.015 0.000 0.813 789 L CB 0.109 42.118 42.059 -0.083 0.000 1.110 789 L HN 0.342 nan 8.230 nan 0.000 0.466 790 D N 0.708 121.058 120.400 -0.084 0.000 2.133 790 D HA -0.187 4.459 4.640 0.010 0.000 0.195 790 D C 1.535 177.761 176.300 -0.123 0.000 0.997 790 D CA 1.462 55.349 54.000 -0.189 0.000 0.840 790 D CB 0.144 40.757 40.800 -0.311 0.000 0.947 790 D HN 0.490 nan 8.370 nan 0.000 0.452 791 N N 0.964 119.610 118.700 -0.090 0.000 2.364 791 N HA -0.115 4.631 4.740 0.010 0.000 0.183 791 N C 1.196 176.713 175.510 0.012 0.000 1.022 791 N CA 0.659 53.682 53.050 -0.045 0.000 0.883 791 N CB -0.085 38.361 38.487 -0.068 0.000 0.965 791 N HN 0.287 nan 8.380 nan 0.000 0.438 792 D N 0.271 120.692 120.400 0.035 0.000 2.137 792 D HA 0.012 4.658 4.640 0.010 0.000 0.202 792 D C 1.969 178.307 176.300 0.063 0.000 0.970 792 D CA 0.533 54.590 54.000 0.095 0.000 0.837 792 D CB 0.031 40.962 40.800 0.218 0.000 0.981 792 D HN 0.212 nan 8.370 nan 0.000 0.475 793 I N 0.469 121.064 120.570 0.042 0.000 2.353 793 I HA 0.041 4.217 4.170 0.010 0.000 0.248 793 I C 1.845 177.977 176.117 0.026 0.000 1.119 793 I CA 0.935 62.248 61.300 0.021 0.000 1.417 793 I CB -0.565 37.421 38.000 -0.023 0.000 1.078 793 I HN 0.106 nan 8.210 nan 0.000 0.421 794 G N 0.688 109.519 108.800 0.051 0.000 2.550 794 G HA2 -0.292 3.673 3.960 0.010 0.000 0.277 794 G HA3 -0.292 3.673 3.960 0.010 0.000 0.277 794 G C 0.579 175.615 174.900 0.227 0.000 1.190 794 G CA 0.603 45.780 45.100 0.128 0.000 0.971 794 G HN 0.784 nan 8.290 nan 0.000 0.559 795 V N -2.244 117.768 119.914 0.164 0.000 3.249 795 V HA 0.678 4.804 4.120 0.010 0.000 0.338 795 V C 0.982 177.107 176.094 0.053 0.000 1.363 795 V CA 1.028 63.400 62.300 0.120 0.000 1.205 795 V CB 0.280 32.088 31.823 -0.025 0.000 1.164 795 V HN 1.317 nan 8.190 nan 0.000 0.458 796 S N 1.377 117.106 115.700 0.048 0.000 2.455 796 S HA 0.354 4.830 4.470 0.010 0.000 0.278 796 S C -0.109 174.505 174.600 0.022 0.000 1.216 796 S CA -0.044 58.166 58.200 0.016 0.000 1.055 796 S CB 0.249 63.447 63.200 -0.003 0.000 0.939 796 S HN 0.816 nan 8.310 nan 0.000 0.494 797 E N 2.483 122.692 120.200 0.014 0.000 2.244 797 E HA 0.610 4.966 4.350 0.010 0.000 0.266 797 E C 0.563 177.172 176.600 0.015 0.000 0.914 797 E CA -0.515 55.897 56.400 0.021 0.000 0.794 797 E CB 1.417 31.129 29.700 0.020 0.000 1.210 797 E HN 0.662 nan 8.360 nan 0.000 0.414 798 A N 1.556 124.390 122.820 0.024 0.000 2.125 798 A HA -0.154 4.172 4.320 0.010 0.000 0.219 798 A C 1.944 179.537 177.584 0.015 0.000 1.156 798 A CA 2.096 54.145 52.037 0.020 0.000 0.671 798 A CB -0.614 18.402 19.000 0.028 0.000 0.794 798 A HN 0.669 nan 8.150 nan 0.000 0.459 799 T N -2.180 112.382 114.554 0.014 0.000 2.901 799 T HA 0.077 4.433 4.350 0.010 0.000 0.252 799 T C 1.068 175.767 174.700 -0.001 0.000 1.035 799 T CA 0.499 62.604 62.100 0.008 0.000 1.142 799 T CB -0.066 68.808 68.868 0.010 0.000 0.869 799 T HN 0.321 nan 8.240 nan 0.000 0.442 800 R N 1.541 122.038 120.500 -0.005 0.000 2.423 800 R HA 0.421 4.767 4.340 0.010 0.000 0.293 800 R C -0.644 175.647 176.300 -0.016 0.000 1.196 800 R CA -0.551 55.539 56.100 -0.016 0.000 1.262 800 R CB 0.433 30.717 30.300 -0.027 0.000 1.116 800 R HN 0.389 nan 8.270 nan 0.000 0.566 801 I N 1.675 122.236 120.570 -0.015 0.000 2.710 801 I HA -0.069 4.107 4.170 0.010 0.000 0.286 801 I C 0.520 176.619 176.117 -0.031 0.000 1.181 801 I CA 0.427 61.715 61.300 -0.020 0.000 1.430 801 I CB 0.569 38.557 38.000 -0.019 0.000 1.367 801 I HN 0.459 nan 8.210 nan 0.000 0.577 802 D N 9.349 129.729 120.400 -0.034 0.000 2.499 802 D HA 0.260 4.906 4.640 0.010 0.000 0.225 802 D C -1.620 174.635 176.300 -0.075 0.000 1.124 802 D CA -2.265 51.707 54.000 -0.047 0.000 0.938 802 D CB 1.115 41.896 40.800 -0.032 0.000 1.014 802 D HN 0.174 nan 8.370 nan 0.000 0.517 803 P HA -0.109 nan 4.420 nan 0.000 0.221 803 P C 0.829 178.033 177.300 -0.160 0.000 1.145 803 P CA 0.740 63.778 63.100 -0.104 0.000 0.795 803 P CB 0.352 32.002 31.700 -0.083 0.000 0.775 804 N N -0.610 117.998 118.700 -0.154 0.000 2.463 804 N HA 0.085 4.830 4.740 0.010 0.000 0.181 804 N C 0.339 175.663 175.510 -0.310 0.000 1.078 804 N CA 0.041 52.960 53.050 -0.219 0.000 0.902 804 N CB -0.451 37.936 38.487 -0.167 0.000 0.970 804 N HN 0.010 nan 8.380 nan 0.000 0.451 805 A N -0.375 122.301 122.820 -0.239 0.000 2.492 805 A HA 0.062 4.388 4.320 0.010 0.000 0.254 805 A C 0.547 177.894 177.584 -0.396 0.000 1.091 805 A CA -0.407 51.487 52.037 -0.238 0.000 0.768 805 A CB -0.251 18.684 19.000 -0.109 0.000 1.028 805 A HN 0.456 nan 8.150 nan 0.000 0.498 806 W N 2.157 123.178 121.300 -0.464 0.000 2.257 806 W HA -0.289 4.376 4.660 0.009 0.000 0.325 806 W C 2.173 178.062 176.519 -1.051 0.000 1.296 806 W CA 2.186 58.932 57.345 -0.999 0.000 1.297 806 W CB -0.598 28.089 29.460 -1.288 0.000 1.131 806 W HN 0.554 nan 8.180 nan 0.000 0.492 807 V N 0.431 120.176 119.914 -0.281 0.000 2.343 807 V HA -0.271 3.854 4.120 0.010 0.000 0.247 807 V C 2.307 178.438 176.094 0.062 0.000 1.051 807 V CA 2.229 64.572 62.300 0.071 0.000 1.036 807 V CB -0.423 31.495 31.823 0.158 0.000 0.654 807 V HN 0.054 nan 8.190 nan 0.000 0.451 808 E N 0.168 120.322 120.200 -0.076 0.000 2.017 808 E HA -0.196 4.159 4.350 0.010 0.000 0.193 808 E C 2.349 178.891 176.600 -0.097 0.000 0.997 808 E CA 1.451 57.810 56.400 -0.068 0.000 0.804 808 E CB -0.506 29.131 29.700 -0.105 0.000 0.757 808 E HN 0.588 nan 8.360 nan 0.000 0.448 809 R N -0.052 120.293 120.500 -0.258 0.000 2.113 809 R HA -0.184 4.162 4.340 0.010 0.000 0.244 809 R C 2.363 178.572 176.300 -0.151 0.000 1.142 809 R CA 1.650 57.576 56.100 -0.290 0.000 0.953 809 R CB -0.467 29.509 30.300 -0.540 0.000 0.860 809 R HN 0.304 nan 8.270 nan 0.000 0.438 810 W N 1.452 122.698 121.300 -0.091 0.000 2.332 810 W HA -0.117 4.549 4.660 0.010 0.000 0.321 810 W C 2.190 178.692 176.519 -0.029 0.000 1.219 810 W CA 0.588 57.823 57.345 -0.184 0.000 1.277 810 W CB -1.049 28.462 29.460 0.084 0.000 1.161 810 W HN 0.139 nan 8.180 nan 0.000 0.476 811 K N 0.229 120.885 120.400 0.427 0.000 2.032 811 K HA -0.226 4.100 4.320 0.010 0.000 0.218 811 K C 2.232 178.898 176.600 0.111 0.000 1.054 811 K CA 2.518 58.984 56.287 0.299 0.000 0.941 811 K CB -0.846 31.751 32.500 0.161 0.000 0.720 811 K HN 0.053 nan 8.250 nan 0.000 0.449 812 A N 1.067 123.913 122.820 0.044 0.000 1.972 812 A HA -0.119 4.207 4.320 0.010 0.000 0.219 812 A C 2.297 179.879 177.584 -0.004 0.000 1.169 812 A CA 1.875 53.918 52.037 0.011 0.000 0.635 812 A CB -0.668 18.324 19.000 -0.014 0.000 0.810 812 A HN 0.401 nan 8.150 nan 0.000 0.446 813 A N -1.866 120.924 122.820 -0.050 0.000 2.067 813 A HA 0.340 4.666 4.320 0.010 0.000 0.219 813 A C 1.987 179.568 177.584 -0.004 0.000 1.158 813 A CA 1.533 53.557 52.037 -0.022 0.000 0.661 813 A CB -0.899 17.986 19.000 -0.192 0.000 0.801 813 A HN 1.953 nan 8.150 nan 0.000 0.452 814 G N -2.073 106.657 108.800 -0.117 0.000 2.132 814 G HA2 -0.290 3.676 3.960 0.010 0.000 0.234 814 G HA3 -0.290 3.676 3.960 0.010 0.000 0.234 814 G C 0.534 175.451 174.900 0.027 0.000 0.989 814 G CA 0.673 45.539 45.100 -0.390 0.000 0.676 814 G HN 0.739 nan 8.290 nan 0.000 0.522 815 H N -1.198 117.894 119.070 0.037 0.000 2.330 815 H HA -0.269 4.293 4.556 0.010 0.000 0.290 815 H C 2.280 177.625 175.328 0.028 0.000 1.111 815 H CA 2.092 58.183 56.048 0.071 0.000 1.226 815 H CB -0.049 29.703 29.762 -0.018 0.000 1.355 815 H HN 0.632 nan 8.280 nan 0.000 0.485 816 Y N 0.970 121.398 120.300 0.213 0.000 2.293 816 Y HA -0.156 4.400 4.550 0.009 0.000 0.291 816 Y C 2.188 178.165 175.900 0.128 0.000 1.137 816 Y CA 1.074 59.252 58.100 0.129 0.000 1.202 816 Y CB 0.092 38.615 38.460 0.106 0.000 0.990 816 Y HN 0.400 nan 8.280 nan 0.000 0.537 817 Q N 0.014 119.975 119.800 0.268 0.000 2.189 817 Q HA 0.473 4.819 4.340 0.010 0.000 0.221 817 Q C 0.330 176.511 176.000 0.302 0.000 0.848 817 Q CA -0.141 55.811 55.803 0.248 0.000 1.007 817 Q CB 0.343 29.214 28.738 0.221 0.000 1.116 817 Q HN 0.197 nan 8.270 nan 0.000 0.481 818 A N 1.971 124.999 122.820 0.346 0.000 2.425 818 A HA 0.190 4.515 4.320 0.010 0.000 0.242 818 A C -0.040 177.823 177.584 0.466 0.000 1.077 818 A CA -0.134 52.181 52.037 0.463 0.000 0.781 818 A CB 0.337 19.700 19.000 0.606 0.000 1.020 818 A HN 0.359 nan 8.150 nan 0.000 0.494 819 E N 0.952 121.371 120.200 0.365 0.000 2.199 819 E HA 0.500 4.856 4.350 0.010 0.000 0.265 819 E C -0.460 176.098 176.600 -0.070 0.000 0.882 819 E CA -0.681 55.835 56.400 0.193 0.000 0.759 819 E CB 1.729 31.514 29.700 0.143 0.000 1.148 819 E HN 0.742 nan 8.360 nan 0.000 0.412 820 A N 2.440 125.085 122.820 -0.292 0.000 2.498 820 A HA 0.457 4.782 4.320 0.010 0.000 0.239 820 A C -0.037 177.371 177.584 -0.293 0.000 1.068 820 A CA 0.070 51.657 52.037 -0.750 0.000 0.766 820 A CB 0.271 18.984 19.000 -0.479 0.000 1.003 820 A HN 0.660 nan 8.150 nan 0.000 0.497 821 A N 2.487 125.138 122.820 -0.281 0.000 2.332 821 A HA 0.543 4.868 4.320 0.010 0.000 0.300 821 A C -0.504 177.003 177.584 -0.127 0.000 1.153 821 A CA -0.592 51.372 52.037 -0.122 0.000 0.764 821 A CB 0.557 19.514 19.000 -0.072 0.000 1.174 821 A HN 1.276 nan 8.150 nan 0.000 0.467 822 L N 4.393 125.516 121.223 -0.166 0.000 2.623 822 L HA 0.116 4.462 4.340 0.010 0.000 0.281 822 L C 0.870 177.607 176.870 -0.221 0.000 1.150 822 L CA 0.150 54.785 54.840 -0.342 0.000 0.965 822 L CB -0.589 41.270 42.059 -0.333 0.000 1.303 822 L HN 0.796 nan 8.230 nan 0.000 0.467 823 L N 3.189 124.292 121.223 -0.200 0.000 2.109 823 L HA 0.000 4.346 4.340 0.010 0.000 0.207 823 L C 0.858 177.669 176.870 -0.100 0.000 1.086 823 L CA 0.912 55.692 54.840 -0.100 0.000 0.760 823 L CB -0.147 41.889 42.059 -0.039 0.000 0.910 823 L HN 0.821 nan 8.230 nan 0.000 0.437 824 Q N -1.249 118.466 119.800 -0.142 0.000 2.527 824 Q HA 0.282 4.627 4.340 0.010 0.000 0.280 824 Q C -1.759 174.185 176.000 -0.094 0.000 0.977 824 Q CA -0.734 55.017 55.803 -0.087 0.000 0.837 824 Q CB 2.472 31.188 28.738 -0.037 0.000 1.454 824 Q HN 0.010 nan 8.270 nan 0.000 0.387 825 C N 2.888 122.173 119.300 -0.025 0.000 3.102 825 C HA 0.647 5.112 4.460 0.010 0.000 0.363 825 C C -1.153 173.928 174.990 0.152 0.000 1.048 825 C CA 0.628 59.669 59.018 0.038 0.000 1.330 825 C CB 0.301 28.050 27.740 0.015 0.000 1.771 825 C HN 0.788 nan 8.230 nan 0.000 0.526 826 T N 2.296 116.863 114.554 0.022 0.000 2.841 826 T HA 0.798 5.154 4.350 0.010 0.000 0.283 826 T C -0.264 174.198 174.700 -0.396 0.000 1.000 826 T CA -0.139 61.890 62.100 -0.117 0.000 0.977 826 T CB 1.789 70.611 68.868 -0.077 0.000 0.979 826 T HN 1.521 nan 8.240 nan 0.000 0.446 827 A N 3.623 125.966 122.820 -0.795 0.000 2.253 827 A HA 0.619 4.945 4.320 0.010 0.000 0.316 827 A C -0.170 177.122 177.584 -0.486 0.000 1.327 827 A CA -0.737 50.780 52.037 -0.867 0.000 0.917 827 A CB 0.223 18.304 19.000 -1.532 0.000 1.162 827 A HN 0.905 nan 8.150 nan 0.000 0.535 828 D N 0.959 121.162 120.400 -0.329 0.000 2.385 828 D HA 0.553 5.199 4.640 0.010 0.000 0.254 828 D C -0.526 175.660 176.300 -0.190 0.000 1.053 828 D CA 0.130 54.000 54.000 -0.216 0.000 0.992 828 D CB 1.840 42.551 40.800 -0.149 0.000 1.145 828 D HN 0.368 nan 8.370 nan 0.000 0.523 829 T N 0.996 115.466 114.554 -0.141 0.000 2.840 829 T HA 0.488 4.844 4.350 0.010 0.000 0.287 829 T C -0.073 174.574 174.700 -0.089 0.000 0.991 829 T CA -0.565 61.463 62.100 -0.119 0.000 0.964 829 T CB 0.720 69.520 68.868 -0.113 0.000 0.954 829 T HN 0.120 nan 8.240 nan 0.000 0.438 830 L N 1.448 122.624 121.223 -0.078 0.000 2.286 830 L HA 0.739 5.085 4.340 0.010 0.000 0.265 830 L C 1.863 178.706 176.870 -0.044 0.000 1.012 830 L CA -1.516 53.291 54.840 -0.056 0.000 0.818 830 L CB 0.476 42.506 42.059 -0.048 0.000 1.337 830 L HN 0.672 nan 8.230 nan 0.000 0.438 831 A N 1.558 124.360 122.820 -0.030 0.000 1.887 831 A HA -0.294 4.031 4.320 0.010 0.000 0.225 831 A C 1.182 178.758 177.584 -0.013 0.000 1.464 831 A CA 2.742 54.767 52.037 -0.019 0.000 0.717 831 A CB -0.973 18.021 19.000 -0.009 0.000 0.848 831 A HN 1.009 nan 8.150 nan 0.000 0.477 832 D N -1.905 118.491 120.400 -0.007 0.000 2.538 832 D HA 0.584 5.230 4.640 0.010 0.000 0.231 832 D C -0.104 176.193 176.300 -0.005 0.000 1.229 832 D CA 0.629 54.632 54.000 0.006 0.000 0.828 832 D CB -0.196 40.614 40.800 0.018 0.000 1.035 832 D HN 0.840 nan 8.370 nan 0.000 0.495 833 A N -0.269 122.533 122.820 -0.029 0.000 2.565 833 A HA 0.511 4.837 4.320 0.010 0.000 0.298 833 A C -1.021 176.514 177.584 -0.083 0.000 1.062 833 A CA -0.784 51.223 52.037 -0.050 0.000 0.723 833 A CB 1.095 20.068 19.000 -0.045 0.000 1.282 833 A HN -0.003 nan 8.150 nan 0.000 0.400 834 V N 1.522 121.369 119.914 -0.112 0.000 2.834 834 V HA 0.524 4.650 4.120 0.010 0.000 0.301 834 V C -0.167 175.820 176.094 -0.178 0.000 1.066 834 V CA -0.302 61.907 62.300 -0.153 0.000 1.052 834 V CB 1.421 33.142 31.823 -0.171 0.000 1.021 834 V HN 0.797 nan 8.190 nan 0.000 0.480 835 L N 5.046 126.148 121.223 -0.203 0.000 2.388 835 L HA 0.530 4.876 4.340 0.010 0.000 0.267 835 L C -0.557 176.149 176.870 -0.274 0.000 0.995 835 L CA -0.051 54.674 54.840 -0.192 0.000 0.864 835 L CB 0.924 42.906 42.059 -0.128 0.000 1.216 835 L HN 0.389 nan 8.230 nan 0.000 0.430 836 I N 2.887 123.251 120.570 -0.344 0.000 2.612 836 I HA 0.528 4.703 4.170 0.010 0.000 0.295 836 I C 0.220 176.257 176.117 -0.134 0.000 1.011 836 I CA -0.308 60.727 61.300 -0.443 0.000 1.326 836 I CB 1.328 38.724 38.000 -1.006 0.000 1.427 836 I HN 0.515 nan 8.210 nan 0.000 0.537 837 T N 3.390 117.886 114.554 -0.097 0.000 3.293 837 T HA 0.488 4.844 4.350 0.010 0.000 0.320 837 T C -0.002 174.735 174.700 0.061 0.000 0.995 837 T CA -0.717 61.407 62.100 0.040 0.000 1.041 837 T CB 1.732 70.595 68.868 -0.009 0.000 1.058 837 T HN 0.851 nan 8.240 nan 0.000 0.453 838 T N -0.170 114.476 114.554 0.154 0.000 2.762 838 T HA 0.961 5.316 4.350 0.010 0.000 0.272 838 T C -0.903 173.856 174.700 0.099 0.000 0.982 838 T CA -1.094 61.065 62.100 0.098 0.000 1.013 838 T CB 2.038 71.013 68.868 0.179 0.000 1.309 838 T HN 0.973 nan 8.240 nan 0.000 0.572 839 A N 1.117 123.935 122.820 -0.004 0.000 2.512 839 A HA 0.671 4.997 4.320 0.010 0.000 0.294 839 A C -1.455 176.120 177.584 -0.016 0.000 1.054 839 A CA -0.866 51.217 52.037 0.076 0.000 0.756 839 A CB 0.498 19.529 19.000 0.052 0.000 1.293 839 A HN 0.986 nan 8.150 nan 0.000 0.395 840 H N 0.434 119.562 119.070 0.098 0.000 2.812 840 H HA 0.916 5.478 4.556 0.010 0.000 0.355 840 H C 0.085 175.445 175.328 0.055 0.000 1.207 840 H CA -0.474 55.560 56.048 -0.024 0.000 1.217 840 H CB 1.726 31.313 29.762 -0.291 0.000 1.874 840 H HN 1.101 nan 8.280 nan 0.000 0.581 841 A N 0.545 123.386 122.820 0.035 0.000 2.422 841 A HA 0.493 4.819 4.320 0.010 0.000 0.302 841 A C -1.717 175.829 177.584 -0.063 0.000 1.041 841 A CA -0.713 51.386 52.037 0.103 0.000 0.708 841 A CB 1.330 20.374 19.000 0.073 0.000 1.257 841 A HN 0.530 nan 8.150 nan 0.000 0.414 842 W N 1.949 123.392 121.300 0.239 0.000 2.411 842 W HA 0.512 5.178 4.660 0.010 0.000 0.317 842 W C -0.562 176.044 176.519 0.145 0.000 1.030 842 W CA -0.142 57.368 57.345 0.276 0.000 1.239 842 W CB 1.969 31.737 29.460 0.514 0.000 1.304 842 W HN 0.819 nan 8.180 nan 0.000 0.437 843 Q N 1.487 121.461 119.800 0.289 0.000 2.423 843 Q HA 0.402 4.748 4.340 0.010 0.000 0.278 843 Q C -0.926 175.232 176.000 0.263 0.000 1.097 843 Q CA -0.703 55.218 55.803 0.198 0.000 0.809 843 Q CB 3.687 32.488 28.738 0.106 0.000 1.391 843 Q HN 0.381 nan 8.270 nan 0.000 0.428 844 H N 2.059 121.195 119.070 0.111 0.000 2.966 844 H HA 0.103 4.665 4.556 0.010 0.000 0.347 844 H C -0.927 174.450 175.328 0.081 0.000 1.048 844 H CA -0.199 55.919 56.048 0.117 0.000 1.295 844 H CB 1.230 31.084 29.762 0.152 0.000 1.744 844 H HN 0.804 nan 8.280 nan 0.000 0.513 845 Q N 2.793 122.302 119.800 -0.485 0.000 2.434 845 Q HA -0.187 4.159 4.340 0.010 0.000 0.299 845 Q C 0.670 176.607 176.000 -0.105 0.000 1.286 845 Q CA 1.009 56.624 55.803 -0.313 0.000 0.872 845 Q CB -1.774 26.753 28.738 -0.352 0.000 1.193 845 Q HN 1.060 nan 8.270 nan 0.000 0.466 846 G N 0.778 109.547 108.800 -0.051 0.000 2.386 846 G HA2 -0.282 3.684 3.960 0.010 0.000 0.295 846 G HA3 -0.282 3.684 3.960 0.010 0.000 0.295 846 G C -0.199 174.706 174.900 0.008 0.000 0.979 846 G CA 1.041 46.137 45.100 -0.008 0.000 1.193 846 G HN 0.409 nan 8.290 nan 0.000 0.508 847 K N 0.188 120.606 120.400 0.029 0.000 2.507 847 K HA 0.639 4.964 4.320 0.010 0.000 0.251 847 K C 0.195 176.814 176.600 0.031 0.000 0.943 847 K CA -0.494 55.811 56.287 0.030 0.000 0.794 847 K CB 1.156 33.680 32.500 0.040 0.000 1.188 847 K HN 0.048 nan 8.250 nan 0.000 0.428 848 T N 5.341 119.904 114.554 0.015 0.000 2.737 848 T HA 0.219 4.574 4.350 0.010 0.000 0.296 848 T C 1.061 175.717 174.700 -0.073 0.000 0.922 848 T CA -0.411 61.699 62.100 0.017 0.000 1.079 848 T CB 0.461 69.350 68.868 0.035 0.000 0.892 848 T HN 0.562 nan 8.240 nan 0.000 0.514 849 L N 1.746 122.869 121.223 -0.167 0.000 2.189 849 L HA 0.327 4.673 4.340 0.010 0.000 0.199 849 L C -0.126 176.230 176.870 -0.857 0.000 1.074 849 L CA 0.843 55.306 54.840 -0.628 0.000 0.783 849 L CB 0.196 41.708 42.059 -0.912 0.000 0.955 849 L HN 0.539 nan 8.230 nan 0.000 0.460 850 F N -1.593 118.339 119.950 -0.029 0.000 2.664 850 F HA 0.591 5.124 4.527 0.009 0.000 0.329 850 F C -0.588 175.314 175.800 0.170 0.000 1.090 850 F CA -1.004 56.926 58.000 -0.117 0.000 0.978 850 F CB 1.472 40.046 39.000 -0.709 0.000 1.378 850 F HN -0.377 nan 8.300 nan 0.000 0.495 851 I N 0.959 121.766 120.570 0.396 0.000 2.599 851 I HA 0.227 4.403 4.170 0.010 0.000 0.285 851 I C -1.072 175.292 176.117 0.412 0.000 1.168 851 I CA -0.190 61.349 61.300 0.397 0.000 1.060 851 I CB 2.068 40.214 38.000 0.244 0.000 1.249 851 I HN 0.537 nan 8.210 nan 0.000 0.442 852 S N 6.701 122.737 115.700 0.559 0.000 2.520 852 S HA 0.515 4.991 4.470 0.010 0.000 0.324 852 S C -0.403 174.433 174.600 0.394 0.000 1.069 852 S CA -0.701 57.797 58.200 0.497 0.000 1.121 852 S CB 0.259 63.841 63.200 0.636 0.000 0.971 852 S HN 0.481 nan 8.310 nan 0.000 0.463 853 R N 4.193 124.852 120.500 0.265 0.000 2.198 853 R HA 0.454 4.799 4.340 0.010 0.000 0.339 853 R C -0.431 175.953 176.300 0.141 0.000 1.020 853 R CA -0.509 55.709 56.100 0.198 0.000 0.864 853 R CB 0.912 31.304 30.300 0.152 0.000 1.105 853 R HN 0.492 nan 8.270 nan 0.000 0.463 854 K N 0.950 121.447 120.400 0.161 0.000 2.350 854 K HA 0.515 4.840 4.320 0.010 0.000 0.241 854 K C -0.437 176.230 176.600 0.111 0.000 0.994 854 K CA -0.967 55.365 56.287 0.074 0.000 0.839 854 K CB 2.344 34.855 32.500 0.019 0.000 1.244 854 K HN 0.545 nan 8.250 nan 0.000 0.443 855 T N -0.894 113.659 114.554 -0.001 0.000 3.032 855 T HA 0.494 4.849 4.350 0.010 0.000 0.312 855 T C -1.689 173.037 174.700 0.044 0.000 1.078 855 T CA -0.800 61.352 62.100 0.086 0.000 1.028 855 T CB 0.427 69.317 68.868 0.038 0.000 1.091 855 T HN 0.405 nan 8.240 nan 0.000 0.457 856 Y N 1.788 122.054 120.300 -0.056 0.000 2.331 856 Y HA 0.654 5.210 4.550 0.010 0.000 0.334 856 Y C 0.395 176.206 175.900 -0.149 0.000 0.960 856 Y CA -1.796 56.271 58.100 -0.054 0.000 1.130 856 Y CB 1.508 39.991 38.460 0.037 0.000 1.164 856 Y HN 0.807 nan 8.280 nan 0.000 0.458 857 R N 4.386 124.909 120.500 0.039 0.000 2.423 857 R HA 0.554 4.900 4.340 0.010 0.000 0.293 857 R C -1.334 174.912 176.300 -0.090 0.000 1.196 857 R CA -0.217 55.858 56.100 -0.042 0.000 1.262 857 R CB -0.123 30.166 30.300 -0.019 0.000 1.116 857 R HN 0.777 nan 8.270 nan 0.000 0.566 858 I N 4.543 124.999 120.570 -0.191 0.000 2.471 858 I HA 0.106 4.281 4.170 0.010 0.000 0.286 858 I C 0.158 176.178 176.117 -0.163 0.000 1.079 858 I CA -0.248 60.876 61.300 -0.293 0.000 1.398 858 I CB 0.663 38.297 38.000 -0.611 0.000 1.403 858 I HN 0.646 nan 8.210 nan 0.000 0.530 859 D N 4.096 124.437 120.400 -0.098 0.000 2.592 859 D HA 0.313 4.959 4.640 0.010 0.000 0.259 859 D C 1.053 177.365 176.300 0.020 0.000 1.144 859 D CA -0.751 53.234 54.000 -0.024 0.000 1.080 859 D CB 0.805 41.608 40.800 0.006 0.000 1.225 859 D HN 0.463 nan 8.370 nan 0.000 0.619 860 G N -1.329 107.498 108.800 0.046 0.000 2.572 860 G HA2 -0.119 3.847 3.960 0.010 0.000 0.216 860 G HA3 -0.119 3.847 3.960 0.010 0.000 0.216 860 G C 1.221 176.169 174.900 0.080 0.000 1.133 860 G CA 0.800 45.943 45.100 0.071 0.000 0.791 860 G HN 0.528 nan 8.290 nan 0.000 0.538 861 S N -0.423 115.324 115.700 0.079 0.000 2.515 861 S HA 0.299 4.774 4.470 0.010 0.000 0.231 861 S C 1.866 176.533 174.600 0.111 0.000 0.987 861 S CA 1.056 59.307 58.200 0.085 0.000 0.936 861 S CB -0.227 63.021 63.200 0.081 0.000 0.766 861 S HN 1.472 nan 8.310 nan 0.000 0.528 862 G N 0.365 109.251 108.800 0.143 0.000 2.137 862 G HA2 -0.217 3.748 3.960 0.010 0.000 0.237 862 G HA3 -0.217 3.748 3.960 0.010 0.000 0.237 862 G C -0.318 174.735 174.900 0.254 0.000 1.002 862 G CA 0.032 45.288 45.100 0.260 0.000 0.702 862 G HN 0.619 nan 8.290 nan 0.000 0.515 863 Q N -0.493 119.391 119.800 0.139 0.000 2.256 863 Q HA 0.660 5.006 4.340 0.010 0.000 0.257 863 Q C 0.300 176.330 176.000 0.049 0.000 0.936 863 Q CA -0.511 55.370 55.803 0.130 0.000 0.903 863 Q CB 1.687 30.491 28.738 0.110 0.000 1.263 863 Q HN 0.485 nan 8.270 nan 0.000 0.440 864 M N 2.116 121.769 119.600 0.088 0.000 2.149 864 M HA 0.630 5.116 4.480 0.010 0.000 0.342 864 M C -1.505 174.879 176.300 0.139 0.000 1.068 864 M CA -0.505 54.808 55.300 0.021 0.000 0.991 864 M CB 0.991 33.541 32.600 -0.082 0.000 1.596 864 M HN 0.677 nan 8.290 nan 0.000 0.439 865 A N 6.745 129.619 122.820 0.091 0.000 2.288 865 A HA 0.737 5.063 4.320 0.010 0.000 0.320 865 A C -0.953 176.659 177.584 0.047 0.000 1.217 865 A CA -0.731 51.361 52.037 0.091 0.000 0.840 865 A CB 0.468 19.508 19.000 0.067 0.000 1.179 865 A HN 0.940 nan 8.150 nan 0.000 0.504 866 I N 1.734 122.319 120.570 0.025 0.000 2.378 866 I HA 0.338 4.513 4.170 0.010 0.000 0.291 866 I C 0.087 176.118 176.117 -0.142 0.000 0.992 866 I CA -0.176 61.051 61.300 -0.121 0.000 1.154 866 I CB 2.215 40.120 38.000 -0.159 0.000 1.315 866 I HN 0.488 nan 8.210 nan 0.000 0.448 867 T N 5.989 120.424 114.554 -0.198 0.000 2.772 867 T HA 0.497 4.853 4.350 0.010 0.000 0.288 867 T C -0.331 174.197 174.700 -0.286 0.000 0.994 867 T CA -0.386 61.609 62.100 -0.174 0.000 0.951 867 T CB 0.995 69.854 68.868 -0.014 0.000 0.933 867 T HN 0.228 nan 8.240 nan 0.000 0.447 868 V N 4.122 123.719 119.914 -0.529 0.000 2.513 868 V HA 0.566 4.692 4.120 0.010 0.000 0.299 868 V C -0.321 175.607 176.094 -0.277 0.000 1.035 868 V CA -0.913 61.045 62.300 -0.571 0.000 0.889 868 V CB 1.933 33.039 31.823 -1.195 0.000 0.988 868 V HN 0.795 nan 8.190 nan 0.000 0.440 869 D N 3.037 123.428 120.400 -0.015 0.000 2.476 869 D HA 0.435 5.081 4.640 0.010 0.000 0.251 869 D C -1.102 175.315 176.300 0.195 0.000 1.291 869 D CA -0.068 54.026 54.000 0.156 0.000 0.939 869 D CB 2.584 43.512 40.800 0.212 0.000 1.221 869 D HN 0.298 nan 8.370 nan 0.000 0.567 870 V N 2.144 122.210 119.914 0.254 0.000 2.483 870 V HA 0.335 4.461 4.120 0.010 0.000 0.295 870 V C 0.190 176.426 176.094 0.237 0.000 1.035 870 V CA -0.636 61.837 62.300 0.289 0.000 0.896 870 V CB 2.336 34.384 31.823 0.376 0.000 0.986 870 V HN 0.356 nan 8.190 nan 0.000 0.447 871 E N 2.302 122.625 120.200 0.205 0.000 2.183 871 E HA 0.664 5.020 4.350 0.010 0.000 0.271 871 E C -1.514 175.176 176.600 0.149 0.000 0.919 871 E CA -0.511 55.980 56.400 0.152 0.000 0.781 871 E CB 2.400 32.172 29.700 0.120 0.000 1.140 871 E HN 0.456 nan 8.360 nan 0.000 0.402 872 V N 2.446 122.438 119.914 0.130 0.000 2.443 872 V HA 0.409 4.534 4.120 0.010 0.000 0.293 872 V C -0.178 175.940 176.094 0.040 0.000 1.021 872 V CA -0.948 61.415 62.300 0.104 0.000 0.848 872 V CB 1.541 33.493 31.823 0.215 0.000 0.998 872 V HN 0.837 nan 8.190 nan 0.000 0.424 873 A N 3.462 126.243 122.820 -0.064 0.000 2.522 873 A HA 0.286 4.612 4.320 0.010 0.000 0.256 873 A C 1.667 179.257 177.584 0.011 0.000 1.086 873 A CA 0.656 52.670 52.037 -0.038 0.000 0.763 873 A CB 0.256 19.223 19.000 -0.056 0.000 1.024 873 A HN 1.397 nan 8.150 nan 0.000 0.502 874 S N 1.554 117.279 115.700 0.041 0.000 2.462 874 S HA -0.194 4.281 4.470 0.010 0.000 0.243 874 S C 0.751 175.380 174.600 0.048 0.000 1.003 874 S CA 1.709 59.951 58.200 0.070 0.000 0.970 874 S CB -0.486 62.753 63.200 0.065 0.000 0.762 874 S HN 0.800 nan 8.310 nan 0.000 0.510 875 D N -0.583 119.827 120.400 0.017 0.000 2.349 875 D HA 0.200 4.846 4.640 0.010 0.000 0.214 875 D C 0.432 176.727 176.300 -0.008 0.000 1.063 875 D CA -0.031 53.971 54.000 0.003 0.000 0.847 875 D CB -0.202 40.599 40.800 0.002 0.000 0.933 875 D HN 0.225 nan 8.370 nan 0.000 0.513 876 T N 1.577 116.133 114.554 0.003 0.000 2.837 876 T HA 0.395 4.750 4.350 0.010 0.000 0.285 876 T C -2.620 172.102 174.700 0.036 0.000 0.984 876 T CA -2.204 59.926 62.100 0.050 0.000 1.049 876 T CB 1.038 69.964 68.868 0.096 0.000 0.947 876 T HN -0.155 nan 8.240 nan 0.000 0.472 877 P HA 0.056 nan 4.420 nan 0.000 0.262 877 P C -0.636 176.884 177.300 0.367 0.000 1.182 877 P CA 0.069 63.193 63.100 0.040 0.000 0.761 877 P CB -0.077 31.648 31.700 0.043 0.000 0.795 878 H N 3.834 123.303 119.070 0.665 0.000 3.064 878 H HA 0.080 4.641 4.556 0.009 0.000 0.329 878 H C -1.677 174.038 175.328 0.645 0.000 1.020 878 H CA -0.949 55.441 56.048 0.569 0.000 1.402 878 H CB -0.788 29.229 29.762 0.426 0.000 1.379 878 H HN 0.383 nan 8.280 nan 0.000 0.594 879 P HA 0.020 nan 4.420 nan 0.000 0.275 879 P C 0.189 177.391 177.300 -0.162 0.000 1.228 879 P CA -0.235 62.902 63.100 0.063 0.000 0.786 879 P CB 1.132 32.841 31.700 0.015 0.000 0.927 880 A N 3.988 126.445 122.820 -0.606 0.000 1.877 880 A HA -0.117 4.209 4.320 0.010 0.000 0.216 880 A C 0.963 178.202 177.584 -0.574 0.000 1.186 880 A CA 1.526 53.177 52.037 -0.643 0.000 0.620 880 A CB -0.541 17.908 19.000 -0.918 0.000 0.822 880 A HN 0.749 nan 8.150 nan 0.000 0.443 881 R N -2.832 117.342 120.500 -0.545 0.000 2.716 881 R HA 0.767 5.112 4.340 0.010 0.000 0.271 881 R C -1.637 174.450 176.300 -0.354 0.000 1.028 881 R CA -0.767 55.034 56.100 -0.499 0.000 0.883 881 R CB 1.002 30.906 30.300 -0.659 0.000 1.250 881 R HN 0.036 nan 8.270 nan 0.000 0.465 882 I N 0.853 121.243 120.570 -0.299 0.000 2.468 882 I HA 0.726 4.901 4.170 0.010 0.000 0.284 882 I C -0.332 175.538 176.117 -0.411 0.000 1.038 882 I CA -0.393 60.768 61.300 -0.233 0.000 1.083 882 I CB 1.987 39.939 38.000 -0.081 0.000 1.223 882 I HN 1.007 nan 8.210 nan 0.000 0.443 883 G N 5.610 114.108 108.800 -0.503 0.000 2.341 883 G HA2 0.530 4.495 3.960 0.010 0.000 0.299 883 G HA3 0.530 4.495 3.960 0.010 0.000 0.299 883 G C -1.704 173.004 174.900 -0.320 0.000 1.274 883 G CA -0.728 44.081 45.100 -0.484 0.000 0.853 883 G HN 0.321 nan 8.290 nan 0.000 0.493 884 L N 0.585 121.678 121.223 -0.218 0.000 2.335 884 L HA 0.713 5.059 4.340 0.010 0.000 0.268 884 L C 0.109 176.848 176.870 -0.218 0.000 1.016 884 L CA -1.051 53.683 54.840 -0.177 0.000 0.805 884 L CB 2.012 44.041 42.059 -0.050 0.000 1.311 884 L HN 0.783 nan 8.230 nan 0.000 0.456 885 N N -0.161 118.441 118.700 -0.163 0.000 2.823 885 N HA 0.599 5.345 4.740 0.010 0.000 0.251 885 N C -1.617 173.885 175.510 -0.014 0.000 1.392 885 N CA -0.302 52.689 53.050 -0.099 0.000 0.864 885 N CB 2.490 40.905 38.487 -0.119 0.000 1.481 885 N HN 0.905 nan 8.380 nan 0.000 0.508 886 C N -0.285 119.075 119.300 0.099 0.000 2.951 886 C HA 0.386 4.851 4.460 0.010 0.000 0.331 886 C C -1.621 173.324 174.990 -0.074 0.000 1.256 886 C CA -0.858 58.200 59.018 0.066 0.000 1.176 886 C CB 0.721 28.474 27.740 0.022 0.000 1.349 886 C HN 0.838 nan 8.230 nan 0.000 0.473 887 Q N 1.597 121.122 119.800 -0.459 0.000 2.372 887 Q HA 0.629 4.975 4.340 0.010 0.000 0.259 887 Q C -0.558 175.197 176.000 -0.408 0.000 0.993 887 Q CA -0.562 54.723 55.803 -0.864 0.000 0.854 887 Q CB 0.935 28.699 28.738 -1.624 0.000 1.231 887 Q HN 0.765 nan 8.270 nan 0.000 0.462 888 L N 1.966 123.049 121.223 -0.232 0.000 2.479 888 L HA 0.101 4.447 4.340 0.010 0.000 0.270 888 L C 1.057 177.875 176.870 -0.087 0.000 1.236 888 L CA 0.325 55.145 54.840 -0.033 0.000 0.823 888 L CB 0.490 42.642 42.059 0.155 0.000 1.098 888 L HN 0.864 nan 8.230 nan 0.000 0.500 889 A N 0.907 123.722 122.820 -0.008 0.000 1.956 889 A HA 0.018 4.344 4.320 0.010 0.000 0.212 889 A C 0.834 178.410 177.584 -0.014 0.000 1.188 889 A CA 0.117 52.121 52.037 -0.054 0.000 0.675 889 A CB -0.137 18.823 19.000 -0.066 0.000 0.845 889 A HN 0.798 nan 8.150 nan 0.000 0.455 890 Q N -0.122 119.709 119.800 0.052 0.000 2.368 890 Q HA 0.529 4.874 4.340 0.010 0.000 0.237 890 Q C -1.250 174.812 176.000 0.103 0.000 0.987 890 Q CA -0.366 55.458 55.803 0.035 0.000 0.896 890 Q CB 1.159 29.881 28.738 -0.026 0.000 1.241 890 Q HN 0.065 nan 8.270 nan 0.000 0.485 891 V N 1.211 121.148 119.914 0.039 0.000 2.443 891 V HA 0.670 4.796 4.120 0.010 0.000 0.293 891 V C -0.413 175.676 176.094 -0.009 0.000 1.021 891 V CA -0.373 61.986 62.300 0.098 0.000 0.848 891 V CB 0.867 32.717 31.823 0.044 0.000 0.998 891 V HN 0.973 nan 8.190 nan 0.000 0.424 892 A N 3.578 126.374 122.820 -0.041 0.000 2.373 892 A HA 0.785 5.111 4.320 0.010 0.000 0.291 892 A C 0.635 178.246 177.584 0.046 0.000 1.171 892 A CA -0.398 51.541 52.037 -0.164 0.000 0.922 892 A CB 1.066 19.736 19.000 -0.550 0.000 1.400 892 A HN 0.784 nan 8.150 nan 0.000 0.474 893 E N -0.421 119.796 120.200 0.028 0.000 2.251 893 E HA 0.082 4.438 4.350 0.010 0.000 0.194 893 E C 0.104 176.783 176.600 0.131 0.000 0.964 893 E CA 0.247 56.693 56.400 0.076 0.000 0.868 893 E CB 0.222 29.946 29.700 0.039 0.000 0.828 893 E HN 0.501 nan 8.360 nan 0.000 0.481 894 R N 0.717 121.305 120.500 0.146 0.000 2.939 894 R HA 0.667 5.013 4.340 0.010 0.000 0.254 894 R C -0.673 175.824 176.300 0.328 0.000 1.123 894 R CA -0.855 55.365 56.100 0.199 0.000 1.020 894 R CB 1.747 32.132 30.300 0.141 0.000 1.206 894 R HN -0.179 nan 8.270 nan 0.000 0.491 895 V N 0.747 120.860 119.914 0.331 0.000 2.686 895 V HA 0.392 4.518 4.120 0.010 0.000 0.306 895 V C -0.627 175.732 176.094 0.442 0.000 1.065 895 V CA -0.959 61.586 62.300 0.408 0.000 0.894 895 V CB 2.018 34.065 31.823 0.374 0.000 1.004 895 V HN 0.723 nan 8.190 nan 0.000 0.424 896 N N 3.307 122.262 118.700 0.426 0.000 2.249 896 N HA 0.631 5.377 4.740 0.010 0.000 0.296 896 N C -1.559 174.237 175.510 0.477 0.000 1.051 896 N CA -0.358 52.910 53.050 0.363 0.000 0.815 896 N CB 3.105 41.709 38.487 0.195 0.000 1.487 896 N HN 0.862 nan 8.380 nan 0.000 0.475 897 W N 2.872 124.236 121.300 0.107 0.000 3.074 897 W HA 0.547 5.212 4.660 0.009 0.000 0.332 897 W C -2.069 174.443 176.519 -0.011 0.000 1.253 897 W CA -0.964 56.422 57.345 0.068 0.000 1.180 897 W CB 0.653 30.183 29.460 0.117 0.000 1.445 897 W HN 0.220 nan 8.180 nan 0.000 0.573 898 L N 3.685 124.975 121.223 0.112 0.000 2.435 898 L HA 0.823 5.169 4.340 0.010 0.000 0.253 898 L C -0.081 176.868 176.870 0.133 0.000 1.087 898 L CA 0.226 54.968 54.840 -0.164 0.000 0.950 898 L CB 0.235 42.217 42.059 -0.129 0.000 1.304 898 L HN 0.853 nan 8.230 nan 0.000 0.453 899 G N 2.282 111.253 108.800 0.286 0.000 2.815 899 G HA2 0.414 4.380 3.960 0.010 0.000 0.305 899 G HA3 0.414 4.380 3.960 0.010 0.000 0.305 899 G C -1.274 173.992 174.900 0.609 0.000 1.277 899 G CA -0.955 44.515 45.100 0.616 0.000 0.795 899 G HN 0.200 nan 8.290 nan 0.000 0.528 900 L N 0.495 122.059 121.223 0.569 0.000 2.417 900 L HA 0.630 4.976 4.340 0.010 0.000 0.268 900 L C 0.987 178.068 176.870 0.352 0.000 1.158 900 L CA 0.481 55.572 54.840 0.417 0.000 0.819 900 L CB 0.650 42.832 42.059 0.205 0.000 1.112 900 L HN 1.040 nan 8.230 nan 0.000 0.458 901 G N 1.826 110.579 108.800 -0.078 0.000 2.317 901 G HA2 0.194 4.159 3.960 0.010 0.000 0.293 901 G HA3 0.194 4.159 3.960 0.010 0.000 0.293 901 G C -2.834 171.178 174.900 -1.479 0.000 1.287 901 G CA -0.405 44.230 45.100 -0.774 0.000 0.850 901 G HN 0.294 nan 8.290 nan 0.000 0.515 902 P HA 0.020 nan 4.420 nan 0.000 0.215 902 P C 0.759 177.794 177.300 -0.442 0.000 1.157 902 P CA 1.195 63.556 63.100 -1.231 0.000 0.859 902 P CB -0.079 31.117 31.700 -0.839 0.000 0.786 903 Q N 0.565 120.146 119.800 -0.366 0.000 2.631 903 Q HA 0.104 4.450 4.340 0.010 0.000 0.210 903 Q C 0.442 176.320 176.000 -0.203 0.000 1.094 903 Q CA -0.368 55.303 55.803 -0.220 0.000 1.055 903 Q CB -0.725 27.910 28.738 -0.172 0.000 1.261 903 Q HN 0.152 nan 8.270 nan 0.000 0.615 904 E N 0.456 120.556 120.200 -0.168 0.000 2.452 904 E HA 0.023 4.379 4.350 0.010 0.000 0.261 904 E C -1.077 175.460 176.600 -0.105 0.000 0.987 904 E CA 0.137 56.441 56.400 -0.159 0.000 0.926 904 E CB 0.172 29.847 29.700 -0.042 0.000 0.934 904 E HN 0.713 nan 8.360 nan 0.000 0.452 905 N N 2.662 121.235 118.700 -0.211 0.000 2.452 905 N HA 0.258 5.004 4.740 0.010 0.000 0.277 905 N C -1.856 173.430 175.510 -0.373 0.000 1.078 905 N CA -0.654 52.311 53.050 -0.140 0.000 0.947 905 N CB 0.637 39.061 38.487 -0.106 0.000 1.655 905 N HN 0.188 nan 8.380 nan 0.000 0.490 906 Y N 0.734 120.936 120.300 -0.163 0.000 2.650 906 Y HA 0.549 5.105 4.550 0.010 0.000 0.331 906 Y C -1.544 174.288 175.900 -0.113 0.000 1.082 906 Y CA -2.075 55.910 58.100 -0.192 0.000 1.171 906 Y CB 1.310 39.646 38.460 -0.205 0.000 1.326 906 Y HN 0.408 nan 8.280 nan 0.000 0.513 907 P HA -0.182 nan 4.420 nan 0.000 0.215 907 P C 0.376 177.664 177.300 -0.019 0.000 1.157 907 P CA 2.176 65.353 63.100 0.127 0.000 0.874 907 P CB 0.123 31.998 31.700 0.292 0.000 0.790 908 D N -2.076 118.110 120.400 -0.356 0.000 2.336 908 D HA 0.001 4.646 4.640 0.010 0.000 0.228 908 D C 0.626 176.777 176.300 -0.248 0.000 1.120 908 D CA 0.066 53.630 54.000 -0.727 0.000 0.839 908 D CB -0.385 39.716 40.800 -1.165 0.000 0.932 908 D HN 0.132 nan 8.370 nan 0.000 0.509 909 R N 0.947 121.403 120.500 -0.074 0.000 2.684 909 R HA 0.198 4.543 4.340 0.010 0.000 0.252 909 R C -0.622 175.707 176.300 0.049 0.000 1.628 909 R CA -0.189 55.920 56.100 0.014 0.000 1.622 909 R CB 0.125 30.436 30.300 0.018 0.000 1.418 909 R HN 0.122 nan 8.270 nan 0.000 0.697 910 L N -1.566 119.698 121.223 0.069 0.000 3.410 910 L HA 0.334 4.680 4.340 0.010 0.000 0.309 910 L C 1.226 178.165 176.870 0.114 0.000 1.254 910 L CA 0.139 55.025 54.840 0.076 0.000 1.048 910 L CB 0.160 42.251 42.059 0.054 0.000 1.442 910 L HN 0.109 nan 8.230 nan 0.000 0.615 911 T N -2.440 112.209 114.554 0.159 0.000 2.857 911 T HA 0.059 4.415 4.350 0.010 0.000 0.266 911 T C 1.728 176.508 174.700 0.133 0.000 1.048 911 T CA 1.193 63.420 62.100 0.213 0.000 1.139 911 T CB -0.385 68.678 68.868 0.325 0.000 0.874 911 T HN 0.381 nan 8.240 nan 0.000 0.455 912 A N 1.365 124.279 122.820 0.157 0.000 2.239 912 A HA 0.654 4.979 4.320 0.010 0.000 0.209 912 A C 1.418 179.096 177.584 0.157 0.000 1.171 912 A CA 0.436 52.544 52.037 0.119 0.000 0.768 912 A CB -0.979 18.221 19.000 0.333 0.000 0.790 912 A HN 0.856 nan 8.150 nan 0.000 0.478 913 A N -1.369 121.493 122.820 0.070 0.000 2.286 913 A HA 0.523 4.849 4.320 0.010 0.000 0.286 913 A C -0.202 177.420 177.584 0.063 0.000 1.097 913 A CA -0.247 51.798 52.037 0.013 0.000 0.821 913 A CB 0.278 19.280 19.000 0.003 0.000 1.076 913 A HN 0.428 nan 8.150 nan 0.000 0.490 914 C N 0.488 119.846 119.300 0.096 0.000 2.498 914 C HA 0.488 4.953 4.460 0.010 0.000 0.316 914 C C -0.282 174.851 174.990 0.239 0.000 1.209 914 C CA -0.502 58.622 59.018 0.177 0.000 1.518 914 C CB 0.667 28.500 27.740 0.154 0.000 2.147 914 C HN 0.776 nan 8.230 nan 0.000 0.483 915 F N 3.816 123.620 119.950 -0.243 0.000 2.506 915 F HA 0.427 4.960 4.527 0.010 0.000 0.369 915 F C 0.292 175.693 175.800 -0.665 0.000 1.114 915 F CA 1.002 58.656 58.000 -0.577 0.000 1.121 915 F CB -0.374 37.752 39.000 -1.456 0.000 1.104 915 F HN 0.756 nan 8.300 nan 0.000 0.564 916 D N 2.698 122.297 120.400 -1.335 0.000 2.792 916 D HA 0.253 4.898 4.640 0.010 0.000 0.335 916 D C -1.618 173.651 176.300 -1.719 0.000 1.353 916 D CA -0.875 52.183 54.000 -1.569 0.000 0.839 916 D CB 0.972 40.858 40.800 -1.524 0.000 1.396 916 D HN 0.436 nan 8.370 nan 0.000 0.479 917 R N 0.792 120.461 120.500 -1.384 0.000 2.202 917 R HA 0.566 4.912 4.340 0.010 0.000 0.334 917 R C -1.512 174.124 176.300 -1.107 0.000 1.036 917 R CA -0.231 55.242 56.100 -1.045 0.000 0.878 917 R CB 0.301 30.244 30.300 -0.594 0.000 1.067 917 R HN 0.357 nan 8.270 nan 0.000 0.457 918 W N 2.999 123.776 121.300 -0.872 0.000 2.689 918 W HA 0.386 5.052 4.660 0.009 0.000 0.340 918 W C -0.480 175.694 176.519 -0.576 0.000 1.060 918 W CA -0.745 56.033 57.345 -0.944 0.000 1.218 918 W CB 1.738 30.078 29.460 -1.868 0.000 1.410 918 W HN 0.389 nan 8.180 nan 0.000 0.528 919 D N 3.395 123.765 120.400 -0.050 0.000 2.602 919 D HA 0.451 5.097 4.640 0.010 0.000 0.245 919 D C -1.288 175.091 176.300 0.133 0.000 1.325 919 D CA -0.079 53.968 54.000 0.078 0.000 0.952 919 D CB 0.976 41.794 40.800 0.030 0.000 1.317 919 D HN 0.409 nan 8.370 nan 0.000 0.577 920 L N 2.392 123.755 121.223 0.234 0.000 2.322 920 L HA 0.607 4.953 4.340 0.010 0.000 0.252 920 L C -2.484 174.494 176.870 0.180 0.000 1.055 920 L CA -2.255 52.697 54.840 0.187 0.000 0.849 920 L CB 2.405 44.590 42.059 0.209 0.000 1.446 920 L HN 0.146 nan 8.230 nan 0.000 0.416 921 P HA 0.159 nan 4.420 nan 0.000 0.282 921 P C 0.456 177.830 177.300 0.123 0.000 1.249 921 P CA -0.509 62.661 63.100 0.117 0.000 0.806 921 P CB 1.006 32.753 31.700 0.079 0.000 0.984 922 L N 3.055 124.357 121.223 0.132 0.000 2.034 922 L HA -0.287 4.058 4.340 0.010 0.000 0.217 922 L C 2.264 179.185 176.870 0.084 0.000 1.077 922 L CA 2.785 57.690 54.840 0.109 0.000 0.769 922 L CB -1.885 40.239 42.059 0.108 0.000 0.890 922 L HN 0.463 nan 8.230 nan 0.000 0.435 923 S N -1.558 114.192 115.700 0.083 0.000 2.383 923 S HA -0.203 4.272 4.470 0.010 0.000 0.229 923 S C 1.615 176.276 174.600 0.102 0.000 1.030 923 S CA 1.333 59.595 58.200 0.103 0.000 1.002 923 S CB -0.761 62.487 63.200 0.080 0.000 0.829 923 S HN 0.494 nan 8.310 nan 0.000 0.467 924 D N 1.049 121.487 120.400 0.063 0.000 2.371 924 D HA 0.092 4.737 4.640 0.010 0.000 0.221 924 D C 1.253 177.558 176.300 0.007 0.000 0.986 924 D CA 0.587 54.601 54.000 0.025 0.000 0.899 924 D CB -0.176 40.642 40.800 0.030 0.000 0.902 924 D HN 0.386 nan 8.370 nan 0.000 0.530 925 M N -0.566 119.057 119.600 0.038 0.000 2.561 925 M HA 0.079 4.564 4.480 0.010 0.000 0.238 925 M C -0.060 176.253 176.300 0.022 0.000 1.131 925 M CA 0.019 55.311 55.300 -0.013 0.000 1.046 925 M CB -0.696 31.889 32.600 -0.024 0.000 1.532 925 M HN -0.035 nan 8.290 nan 0.000 0.497 926 Y N -0.413 119.836 120.300 -0.084 0.000 2.512 926 Y HA 0.518 5.074 4.550 0.010 0.000 0.348 926 Y C -0.985 174.827 175.900 -0.146 0.000 0.990 926 Y CA -0.917 57.137 58.100 -0.076 0.000 1.033 926 Y CB 1.594 40.070 38.460 0.027 0.000 1.259 926 Y HN -0.098 nan 8.280 nan 0.000 0.461 927 T N 7.647 121.569 114.554 -1.052 0.000 2.934 927 T HA 0.269 4.625 4.350 0.010 0.000 0.328 927 T C -2.822 171.034 174.700 -1.406 0.000 1.068 927 T CA -1.458 59.966 62.100 -1.127 0.000 1.018 927 T CB 1.115 69.488 68.868 -0.825 0.000 1.009 927 T HN 0.441 nan 8.240 nan 0.000 0.471 928 P HA 0.085 nan 4.420 nan 0.000 0.232 928 P C -0.659 176.430 177.300 -0.351 0.000 1.738 928 P CA -0.379 62.245 63.100 -0.793 0.000 0.948 928 P CB -0.946 30.421 31.700 -0.555 0.000 1.943 929 Y N -0.235 119.953 120.300 -0.186 0.000 2.632 929 Y HA -0.078 4.478 4.550 0.010 0.000 0.329 929 Y C 2.239 178.159 175.900 0.034 0.000 1.174 929 Y CA -0.692 57.387 58.100 -0.035 0.000 1.469 929 Y CB 0.372 38.779 38.460 -0.088 0.000 1.242 929 Y HN -0.098 nan 8.280 nan 0.000 0.540 930 V N 3.633 123.728 119.914 0.302 0.000 2.233 930 V HA -0.360 3.765 4.120 0.010 0.000 0.252 930 V C 0.771 176.996 176.094 0.217 0.000 1.063 930 V CA 1.642 64.101 62.300 0.264 0.000 1.032 930 V CB -0.669 31.350 31.823 0.327 0.000 0.645 930 V HN 0.658 nan 8.190 nan 0.000 0.446 931 F N 3.946 123.933 119.950 0.061 0.000 2.375 931 F HA 0.466 4.999 4.527 0.010 0.000 0.362 931 F C -2.071 173.726 175.800 -0.005 0.000 1.129 931 F CA -3.214 54.780 58.000 -0.010 0.000 1.154 931 F CB 0.479 39.386 39.000 -0.156 0.000 1.205 931 F HN 0.035 nan 8.300 nan 0.000 0.513 932 P HA 0.260 nan 4.420 nan 0.000 0.270 932 P C -0.946 176.076 177.300 -0.464 0.000 1.223 932 P CA 0.004 62.887 63.100 -0.361 0.000 0.785 932 P CB 1.377 32.887 31.700 -0.316 0.000 0.923 933 S N -1.206 114.402 115.700 -0.153 0.000 2.654 933 S HA 0.320 4.796 4.470 0.010 0.000 0.267 933 S C -0.988 173.621 174.600 0.014 0.000 1.151 933 S CA -0.936 57.230 58.200 -0.057 0.000 0.873 933 S CB 0.016 63.217 63.200 0.001 0.000 1.181 933 S HN 0.391 nan 8.310 nan 0.000 0.489 934 E N 1.336 121.558 120.200 0.037 0.000 2.465 934 E HA 0.430 4.786 4.350 0.010 0.000 0.260 934 E C -0.198 176.481 176.600 0.132 0.000 0.980 934 E CA 0.743 57.194 56.400 0.085 0.000 0.927 934 E CB -0.240 29.541 29.700 0.134 0.000 0.934 934 E HN 0.779 nan 8.360 nan 0.000 0.459 935 N N 1.895 120.711 118.700 0.193 0.000 2.859 935 N HA 0.532 5.278 4.740 0.010 0.000 0.250 935 N C 0.198 175.770 175.510 0.103 0.000 1.341 935 N CA -0.587 52.618 53.050 0.258 0.000 0.881 935 N CB 1.289 39.918 38.487 0.237 0.000 1.516 935 N HN 0.637 nan 8.380 nan 0.000 0.503 936 G N -0.897 107.915 108.800 0.020 0.000 2.213 936 G HA2 -0.234 3.732 3.960 0.010 0.000 0.236 936 G HA3 -0.234 3.732 3.960 0.010 0.000 0.236 936 G C -0.162 174.445 174.900 -0.489 0.000 0.991 936 G CA -0.002 44.972 45.100 -0.210 0.000 0.629 936 G HN 0.713 nan 8.290 nan 0.000 0.517 937 L N 0.846 121.711 121.223 -0.598 0.000 2.573 937 L HA 0.505 4.850 4.340 0.010 0.000 0.290 937 L C 0.622 176.921 176.870 -0.952 0.000 1.247 937 L CA 0.895 55.149 54.840 -0.975 0.000 0.876 937 L CB 0.368 41.498 42.059 -1.548 0.000 1.123 937 L HN 0.310 nan 8.230 nan 0.000 0.505 938 R N 3.248 123.127 120.500 -1.036 0.000 2.473 938 R HA 0.428 4.774 4.340 0.010 0.000 0.303 938 R C -0.941 175.001 176.300 -0.596 0.000 1.002 938 R CA -0.296 55.291 56.100 -0.854 0.000 0.884 938 R CB 1.138 30.737 30.300 -1.169 0.000 1.173 938 R HN 0.704 nan 8.270 nan 0.000 0.464 939 C N 0.607 119.691 119.300 -0.360 0.000 2.347 939 C HA 0.698 5.163 4.460 0.010 0.000 0.366 939 C C 1.669 176.630 174.990 -0.048 0.000 1.241 939 C CA 0.248 59.148 59.018 -0.196 0.000 2.360 939 C CB 1.028 28.677 27.740 -0.152 0.000 2.290 939 C HN 1.051 nan 8.230 nan 0.000 0.587 940 G N 1.265 110.047 108.800 -0.030 0.000 2.168 940 G HA2 -0.206 3.760 3.960 0.010 0.000 0.257 940 G HA3 -0.206 3.760 3.960 0.010 0.000 0.257 940 G C -0.002 174.932 174.900 0.057 0.000 0.997 940 G CA 0.553 45.673 45.100 0.034 0.000 0.708 940 G HN 0.838 nan 8.290 nan 0.000 0.520 941 T N 0.300 114.784 114.554 -0.117 0.000 2.851 941 T HA 0.490 4.846 4.350 0.010 0.000 0.298 941 T C 1.374 175.747 174.700 -0.544 0.000 0.977 941 T CA -0.258 61.696 62.100 -0.244 0.000 1.126 941 T CB 1.543 70.210 68.868 -0.336 0.000 0.916 941 T HN 0.211 nan 8.240 nan 0.000 0.529 942 R N 1.364 121.781 120.500 -0.139 0.000 2.250 942 R HA 0.244 4.590 4.340 0.010 0.000 0.194 942 R C 0.490 176.835 176.300 0.074 0.000 0.927 942 R CA 0.266 56.358 56.100 -0.013 0.000 1.052 942 R CB 0.541 30.950 30.300 0.182 0.000 1.055 942 R HN 0.744 nan 8.270 nan 0.000 0.537 943 E N 0.881 121.129 120.200 0.081 0.000 2.307 943 E HA 0.233 4.589 4.350 0.010 0.000 0.280 943 E C -1.873 174.864 176.600 0.229 0.000 0.900 943 E CA -0.526 55.995 56.400 0.202 0.000 0.790 943 E CB 1.297 31.100 29.700 0.171 0.000 1.261 943 E HN -0.083 nan 8.360 nan 0.000 0.405 944 L N 4.194 125.606 121.223 0.315 0.000 2.365 944 L HA 0.664 5.010 4.340 0.010 0.000 0.273 944 L C -1.714 175.399 176.870 0.406 0.000 1.000 944 L CA -0.362 54.625 54.840 0.246 0.000 0.819 944 L CB 1.757 43.786 42.059 -0.049 0.000 1.284 944 L HN 0.508 nan 8.230 nan 0.000 0.418 945 N N 4.461 123.377 118.700 0.360 0.000 2.480 945 N HA 0.314 5.060 4.740 0.010 0.000 0.289 945 N C -2.144 173.638 175.510 0.453 0.000 1.073 945 N CA -0.253 53.018 53.050 0.368 0.000 0.885 945 N CB 2.041 40.662 38.487 0.225 0.000 1.421 945 N HN 0.657 nan 8.380 nan 0.000 0.503 946 Y N 1.591 122.112 120.300 0.369 0.000 2.396 946 Y HA 0.464 5.019 4.550 0.010 0.000 0.332 946 Y C 0.645 176.698 175.900 0.254 0.000 1.034 946 Y CA 0.364 58.645 58.100 0.301 0.000 1.057 946 Y CB 0.966 39.620 38.460 0.324 0.000 1.220 946 Y HN 0.826 nan 8.280 nan 0.000 0.440 947 G N 6.283 114.906 108.800 -0.295 0.000 2.547 947 G HA2 -0.279 3.687 3.960 0.010 0.000 0.271 947 G HA3 -0.279 3.687 3.960 0.010 0.000 0.271 947 G C -2.012 172.784 174.900 -0.174 0.000 1.209 947 G CA -0.012 44.910 45.100 -0.297 0.000 0.959 947 G HN 0.598 nan 8.290 nan 0.000 0.563 948 P HA 0.176 nan 4.420 nan 0.000 0.255 948 P C 0.389 177.559 177.300 -0.217 0.000 1.248 948 P CA 0.443 63.392 63.100 -0.252 0.000 0.807 948 P CB 0.055 31.553 31.700 -0.336 0.000 1.150 949 H N 0.989 120.020 119.070 -0.066 0.000 2.603 949 H HA 0.434 4.995 4.556 0.010 0.000 0.370 949 H C 0.337 175.405 175.328 -0.433 0.000 1.225 949 H CA 0.511 56.402 56.048 -0.261 0.000 1.410 949 H CB 0.733 30.324 29.762 -0.285 0.000 1.495 949 H HN 0.055 nan 8.280 nan 0.000 0.602 950 Q N 1.290 120.669 119.800 -0.701 0.000 2.443 950 Q HA 0.177 4.523 4.340 0.010 0.000 0.241 950 Q C -2.072 173.634 176.000 -0.489 0.000 0.880 950 Q CA -0.500 55.075 55.803 -0.380 0.000 0.974 950 Q CB 1.074 29.772 28.738 -0.067 0.000 1.482 950 Q HN 0.587 nan 8.270 nan 0.000 0.448 951 W N 4.144 125.404 121.300 -0.067 0.000 2.606 951 W HA 0.672 5.338 4.660 0.010 0.000 0.332 951 W C -0.013 176.576 176.519 0.117 0.000 1.052 951 W CA -1.017 56.258 57.345 -0.116 0.000 1.223 951 W CB 1.879 31.066 29.460 -0.455 0.000 1.383 951 W HN 0.494 nan 8.180 nan 0.000 0.524 952 R N 0.701 121.422 120.500 0.367 0.000 2.750 952 R HA 0.765 5.110 4.340 0.010 0.000 0.281 952 R C 0.146 176.697 176.300 0.419 0.000 0.972 952 R CA -0.489 55.841 56.100 0.383 0.000 0.912 952 R CB 2.264 32.710 30.300 0.243 0.000 1.187 952 R HN 0.794 nan 8.270 nan 0.000 0.464 953 G N 0.950 110.023 108.800 0.455 0.000 2.439 953 G HA2 -0.060 3.905 3.960 0.010 0.000 0.186 953 G HA3 -0.060 3.905 3.960 0.010 0.000 0.186 953 G C -1.778 173.309 174.900 0.312 0.000 1.260 953 G CA -0.562 44.775 45.100 0.395 0.000 1.020 953 G HN 0.477 nan 8.290 nan 0.000 0.470 954 D N 0.617 121.212 120.400 0.325 0.000 2.389 954 D HA 0.641 5.287 4.640 0.010 0.000 0.256 954 D C -1.038 175.347 176.300 0.143 0.000 1.239 954 D CA -0.122 53.943 54.000 0.109 0.000 0.925 954 D CB 0.941 41.783 40.800 0.070 0.000 1.145 954 D HN 0.558 nan 8.370 nan 0.000 0.542 955 F N 0.156 120.083 119.950 -0.038 0.000 2.741 955 F HA 0.523 5.055 4.527 0.010 0.000 0.313 955 F C -1.121 174.646 175.800 -0.056 0.000 1.153 955 F CA -1.084 56.845 58.000 -0.119 0.000 0.931 955 F CB 0.761 39.681 39.000 -0.132 0.000 1.335 955 F HN -0.152 nan 8.300 nan 0.000 0.460 956 Q N 1.748 121.612 119.800 0.107 0.000 2.241 956 Q HA 0.753 5.098 4.340 0.010 0.000 0.262 956 Q C -1.034 175.097 176.000 0.217 0.000 1.014 956 Q CA -0.556 55.248 55.803 0.002 0.000 0.885 956 Q CB 2.679 31.313 28.738 -0.173 0.000 1.311 956 Q HN 0.945 nan 8.270 nan 0.000 0.461 957 F N -1.762 118.062 119.950 -0.211 0.000 2.926 957 F HA 0.702 5.234 4.527 0.010 0.000 0.321 957 F C -1.847 173.752 175.800 -0.334 0.000 1.168 957 F CA -1.067 56.795 58.000 -0.231 0.000 0.890 957 F CB 1.242 40.151 39.000 -0.153 0.000 1.357 957 F HN 0.677 nan 8.300 nan 0.000 0.468 958 N N 0.612 119.170 118.700 -0.236 0.000 3.116 958 N HA 0.712 5.458 4.740 0.010 0.000 0.244 958 N C -2.266 173.194 175.510 -0.084 0.000 1.485 958 N CA -0.672 52.166 53.050 -0.352 0.000 0.884 958 N CB 2.295 40.580 38.487 -0.337 0.000 1.415 958 N HN 1.178 nan 8.380 nan 0.000 0.524 959 I N 0.031 120.529 120.570 -0.119 0.000 2.702 959 I HA 0.589 4.765 4.170 0.010 0.000 0.287 959 I C -1.498 174.567 176.117 -0.086 0.000 1.342 959 I CA 0.068 61.295 61.300 -0.121 0.000 1.063 959 I CB 1.273 39.149 38.000 -0.207 0.000 1.331 959 I HN 0.980 nan 8.210 nan 0.000 0.427 960 S N 6.269 121.944 115.700 -0.043 0.000 2.794 960 S HA 0.624 5.099 4.470 0.010 0.000 0.299 960 S C -0.064 174.459 174.600 -0.127 0.000 1.179 960 S CA -1.039 57.124 58.200 -0.062 0.000 0.838 960 S CB 2.007 65.237 63.200 0.050 0.000 1.206 960 S HN 0.590 nan 8.310 nan 0.000 0.523 961 R N -0.080 120.159 120.500 -0.435 0.000 2.515 961 R HA 0.307 4.652 4.340 0.010 0.000 0.294 961 R C -1.186 174.734 176.300 -0.633 0.000 1.021 961 R CA 0.121 55.929 56.100 -0.486 0.000 1.081 961 R CB -0.762 29.164 30.300 -0.624 0.000 1.263 961 R HN 0.629 nan 8.270 nan 0.000 0.557 962 Y N -0.258 120.021 120.300 -0.036 0.000 2.425 962 Y HA 0.231 4.787 4.550 0.010 0.000 0.344 962 Y C 0.772 176.414 175.900 -0.431 0.000 0.969 962 Y CA -1.087 56.894 58.100 -0.198 0.000 1.052 962 Y CB 1.505 39.788 38.460 -0.294 0.000 1.215 962 Y HN -0.078 nan 8.280 nan 0.000 0.451 963 S N 1.201 116.637 115.700 -0.441 0.000 2.614 963 S HA 0.098 4.574 4.470 0.010 0.000 0.265 963 S C 0.782 175.062 174.600 -0.534 0.000 1.303 963 S CA -0.773 56.857 58.200 -0.950 0.000 1.000 963 S CB 1.147 63.917 63.200 -0.716 0.000 0.935 963 S HN 0.766 nan 8.310 nan 0.000 0.551 964 Q N 0.310 119.776 119.800 -0.556 0.000 2.119 964 Q HA -0.156 4.190 4.340 0.010 0.000 0.201 964 Q C 2.207 178.079 176.000 -0.214 0.000 0.972 964 Q CA 1.403 57.029 55.803 -0.296 0.000 0.847 964 Q CB -0.368 28.236 28.738 -0.224 0.000 0.903 964 Q HN 0.838 nan 8.270 nan 0.000 0.433 965 Q N 0.642 120.301 119.800 -0.235 0.000 2.084 965 Q HA -0.203 4.143 4.340 0.010 0.000 0.202 965 Q C 2.123 178.041 176.000 -0.137 0.000 0.978 965 Q CA 1.229 56.949 55.803 -0.139 0.000 0.844 965 Q CB 0.037 28.715 28.738 -0.101 0.000 0.898 965 Q HN 0.381 nan 8.270 nan 0.000 0.426 966 Q N 0.142 119.840 119.800 -0.171 0.000 2.135 966 Q HA -0.181 4.165 4.340 0.010 0.000 0.204 966 Q C 2.135 178.029 176.000 -0.177 0.000 0.981 966 Q CA 1.004 56.716 55.803 -0.152 0.000 0.856 966 Q CB -0.044 28.595 28.738 -0.165 0.000 0.902 966 Q HN 0.417 nan 8.270 nan 0.000 0.425 967 L N -0.197 120.914 121.223 -0.187 0.000 2.083 967 L HA -0.212 4.134 4.340 0.010 0.000 0.209 967 L C 2.607 179.358 176.870 -0.198 0.000 1.083 967 L CA 1.016 55.737 54.840 -0.198 0.000 0.752 967 L CB -0.268 41.702 42.059 -0.148 0.000 0.899 967 L HN 0.359 nan 8.230 nan 0.000 0.433 968 M N -0.528 118.988 119.600 -0.141 0.000 2.099 968 M HA -0.220 4.266 4.480 0.010 0.000 0.262 968 M C 2.120 178.359 176.300 -0.102 0.000 1.067 968 M CA 1.853 57.089 55.300 -0.107 0.000 1.124 968 M CB -0.005 32.548 32.600 -0.077 0.000 1.353 968 M HN 0.201 nan 8.290 nan 0.000 0.410 969 E N -1.036 119.107 120.200 -0.096 0.000 2.152 969 E HA -0.049 4.307 4.350 0.010 0.000 0.192 969 E C 0.226 176.780 176.600 -0.076 0.000 0.983 969 E CA 0.760 57.121 56.400 -0.065 0.000 0.818 969 E CB -0.127 29.547 29.700 -0.044 0.000 0.758 969 E HN 0.390 nan 8.360 nan 0.000 0.467 970 T N 1.093 115.566 114.554 -0.135 0.000 2.799 970 T HA 0.042 4.398 4.350 0.010 0.000 0.296 970 T C 1.196 175.772 174.700 -0.207 0.000 0.947 970 T CA 0.108 62.110 62.100 -0.162 0.000 1.141 970 T CB 1.255 69.997 68.868 -0.210 0.000 0.891 970 T HN 0.140 nan 8.240 nan 0.000 0.533 971 S N 1.992 117.653 115.700 -0.065 0.000 2.470 971 S HA 0.086 4.561 4.470 0.010 0.000 0.222 971 S C 0.312 174.898 174.600 -0.024 0.000 1.024 971 S CA 0.022 58.245 58.200 0.039 0.000 0.931 971 S CB -0.126 63.265 63.200 0.318 0.000 0.791 971 S HN 0.743 nan 8.310 nan 0.000 0.513 972 H N 0.951 119.979 119.070 -0.071 0.000 2.572 972 H HA 0.534 5.096 4.556 0.010 0.000 0.359 972 H C 1.142 176.415 175.328 -0.091 0.000 1.134 972 H CA -0.794 55.255 56.048 0.000 0.000 1.187 972 H CB 1.542 31.281 29.762 -0.038 0.000 1.597 972 H HN 0.154 nan 8.280 nan 0.000 0.524 973 R N 1.748 122.333 120.500 0.142 0.000 2.152 973 R HA -0.139 4.206 4.340 0.010 0.000 0.232 973 R C 0.929 177.249 176.300 0.034 0.000 1.117 973 R CA 1.628 57.758 56.100 0.050 0.000 0.981 973 R CB -0.370 29.986 30.300 0.094 0.000 0.870 973 R HN 0.739 nan 8.270 nan 0.000 0.451 974 H N 0.766 119.841 119.070 0.007 0.000 2.556 974 H HA 0.124 4.686 4.556 0.010 0.000 0.268 974 H C 1.399 176.660 175.328 -0.112 0.000 0.996 974 H CA 0.347 56.363 56.048 -0.053 0.000 1.157 974 H CB -0.006 29.721 29.762 -0.058 0.000 1.355 974 H HN 0.287 nan 8.280 nan 0.000 0.597 975 L N 0.491 121.401 121.223 -0.522 0.000 2.463 975 L HA 0.199 4.545 4.340 0.010 0.000 0.219 975 L C 0.991 177.758 176.870 -0.172 0.000 1.088 975 L CA -0.056 54.536 54.840 -0.412 0.000 0.849 975 L CB 0.101 41.899 42.059 -0.436 0.000 1.012 975 L HN 0.065 nan 8.230 nan 0.000 0.468 976 L N 0.634 121.739 121.223 -0.198 0.000 2.479 976 L HA 0.058 4.404 4.340 0.010 0.000 0.270 976 L C 0.139 177.014 176.870 0.009 0.000 1.236 976 L CA 0.318 55.026 54.840 -0.220 0.000 0.823 976 L CB 0.093 41.810 42.059 -0.570 0.000 1.098 976 L HN 0.252 nan 8.230 nan 0.000 0.500 977 H N -0.031 119.129 119.070 0.150 0.000 3.085 977 H HA 0.538 5.100 4.556 0.010 0.000 0.356 977 H C -1.205 174.227 175.328 0.173 0.000 1.178 977 H CA -1.090 55.045 56.048 0.145 0.000 1.214 977 H CB 1.065 30.850 29.762 0.038 0.000 1.881 977 H HN 0.686 nan 8.280 nan 0.000 0.538 978 A N 2.955 125.840 122.820 0.109 0.000 2.462 978 A HA 0.214 4.540 4.320 0.010 0.000 0.243 978 A C 0.322 177.940 177.584 0.056 0.000 1.076 978 A CA -0.277 51.677 52.037 -0.139 0.000 0.773 978 A CB 0.182 19.074 19.000 -0.179 0.000 1.010 978 A HN 0.761 nan 8.150 nan 0.000 0.493 979 E N 0.812 120.992 120.200 -0.033 0.000 2.267 979 E HA 0.227 4.582 4.350 0.010 0.000 0.258 979 E C -0.418 176.183 176.600 0.003 0.000 1.074 979 E CA -0.814 55.640 56.400 0.090 0.000 0.915 979 E CB 0.859 30.683 29.700 0.207 0.000 1.186 979 E HN 0.765 nan 8.360 nan 0.000 0.439 980 E N 0.682 120.878 120.200 -0.007 0.000 2.351 980 E HA 0.171 4.527 4.350 0.010 0.000 0.266 980 E C 0.233 176.753 176.600 -0.133 0.000 1.031 980 E CA 0.361 56.725 56.400 -0.060 0.000 0.911 980 E CB 0.171 29.839 29.700 -0.052 0.000 0.986 980 E HN 0.688 nan 8.360 nan 0.000 0.446 981 G N 3.533 112.269 108.800 -0.107 0.000 2.907 981 G HA2 -0.260 3.706 3.960 0.010 0.000 0.242 981 G HA3 -0.260 3.706 3.960 0.010 0.000 0.242 981 G C -0.206 174.588 174.900 -0.177 0.000 1.448 981 G CA -0.253 44.778 45.100 -0.117 0.000 0.911 981 G HN 0.580 nan 8.290 nan 0.000 0.553 982 T N 0.131 114.612 114.554 -0.122 0.000 2.907 982 T HA 0.422 4.778 4.350 0.010 0.000 0.298 982 T C -0.217 174.322 174.700 -0.268 0.000 1.017 982 T CA 0.472 62.488 62.100 -0.140 0.000 1.118 982 T CB 1.005 69.841 68.868 -0.053 0.000 0.948 982 T HN 0.488 nan 8.240 nan 0.000 0.531 983 W N 3.149 124.352 121.300 -0.162 0.000 2.318 983 W HA 0.569 5.235 4.660 0.010 0.000 0.315 983 W C -0.441 175.955 176.519 -0.206 0.000 1.033 983 W CA -0.911 56.339 57.345 -0.157 0.000 1.275 983 W CB 1.016 30.390 29.460 -0.143 0.000 1.250 983 W HN 0.467 nan 8.180 nan 0.000 0.421 984 L N 4.828 126.088 121.223 0.062 0.000 2.334 984 L HA 0.615 4.960 4.340 0.010 0.000 0.272 984 L C -0.781 176.021 176.870 -0.114 0.000 1.020 984 L CA -0.239 54.515 54.840 -0.143 0.000 0.812 984 L CB 1.221 43.047 42.059 -0.389 0.000 1.264 984 L HN 0.291 nan 8.230 nan 0.000 0.439 985 N N 5.393 123.986 118.700 -0.177 0.000 2.480 985 N HA 0.427 5.173 4.740 0.010 0.000 0.289 985 N C -1.560 173.819 175.510 -0.219 0.000 1.073 985 N CA -0.302 52.640 53.050 -0.180 0.000 0.885 985 N CB 2.109 40.514 38.487 -0.138 0.000 1.421 985 N HN 0.479 nan 8.380 nan 0.000 0.503 986 I N 1.825 122.208 120.570 -0.312 0.000 2.354 986 I HA 0.329 4.504 4.170 0.010 0.000 0.286 986 I C -0.493 175.430 176.117 -0.322 0.000 1.007 986 I CA -0.420 60.658 61.300 -0.370 0.000 1.167 986 I CB 1.408 39.016 38.000 -0.654 0.000 1.320 986 I HN 0.181 nan 8.210 nan 0.000 0.458 987 D N 4.298 124.553 120.400 -0.241 0.000 2.362 987 D HA 0.355 5.001 4.640 0.010 0.000 0.247 987 D C 1.056 177.091 176.300 -0.440 0.000 1.050 987 D CA -0.300 53.484 54.000 -0.360 0.000 0.839 987 D CB 2.680 43.352 40.800 -0.212 0.000 1.283 987 D HN 0.676 nan 8.370 nan 0.000 0.477 988 G N 0.727 109.011 108.800 -0.861 0.000 2.453 988 G HA2 0.059 4.025 3.960 0.010 0.000 0.215 988 G HA3 0.059 4.025 3.960 0.010 0.000 0.215 988 G C 0.017 174.132 174.900 -1.309 0.000 1.147 988 G CA 0.438 44.928 45.100 -1.017 0.000 0.802 988 G HN 0.367 nan 8.290 nan 0.000 0.535 989 F N -1.849 117.924 119.950 -0.295 0.000 2.615 989 F HA 0.551 5.083 4.527 0.009 0.000 0.312 989 F C -0.599 175.093 175.800 -0.180 0.000 1.119 989 F CA -1.233 56.653 58.000 -0.191 0.000 0.979 989 F CB 1.676 40.482 39.000 -0.324 0.000 1.266 989 F HN 0.030 nan 8.300 nan 0.000 0.444 990 H N 1.770 120.842 119.070 0.003 0.000 2.895 990 H HA 0.656 5.217 4.556 0.009 0.000 0.373 990 H C -1.097 174.252 175.328 0.035 0.000 1.174 990 H CA -0.925 55.105 56.048 -0.030 0.000 1.144 990 H CB 2.149 31.878 29.762 -0.054 0.000 1.793 990 H HN 0.769 nan 8.280 nan 0.000 0.551 991 M N 2.325 122.021 119.600 0.161 0.000 2.291 991 M HA 0.390 4.876 4.480 0.010 0.000 0.324 991 M C 0.376 176.837 176.300 0.268 0.000 1.148 991 M CA -0.313 55.081 55.300 0.157 0.000 1.104 991 M CB 0.771 33.350 32.600 -0.034 0.000 1.483 991 M HN 0.823 nan 8.290 nan 0.000 0.467 992 G N 1.827 110.728 108.800 0.168 0.000 2.664 992 G HA2 0.300 4.266 3.960 0.010 0.000 0.242 992 G HA3 0.300 4.266 3.960 0.010 0.000 0.242 992 G C 0.442 175.326 174.900 -0.027 0.000 1.225 992 G CA -0.364 44.770 45.100 0.055 0.000 0.849 992 G HN 0.926 nan 8.290 nan 0.000 0.581 993 I N -1.576 118.924 120.570 -0.118 0.000 3.526 993 I HA 0.460 4.636 4.170 0.010 0.000 0.294 993 I C 1.379 177.414 176.117 -0.136 0.000 1.229 993 I CA 0.556 61.749 61.300 -0.179 0.000 1.408 993 I CB -0.410 37.381 38.000 -0.348 0.000 1.127 993 I HN 0.991 nan 8.210 nan 0.000 0.439 994 G N 1.493 110.220 108.800 -0.122 0.000 2.569 994 G HA2 0.096 4.062 3.960 0.010 0.000 0.259 994 G HA3 0.096 4.062 3.960 0.010 0.000 0.259 994 G C 0.621 175.499 174.900 -0.036 0.000 1.263 994 G CA 0.154 45.216 45.100 -0.063 0.000 0.928 994 G HN 1.662 nan 8.290 nan 0.000 0.572 995 G N -2.251 106.549 108.800 -0.000 0.000 2.188 995 G HA2 0.134 4.100 3.960 0.010 0.000 0.112 995 G HA3 0.134 4.100 3.960 0.010 0.000 0.112 995 G C 0.281 175.250 174.900 0.116 0.000 1.048 995 G CA 0.953 46.070 45.100 0.028 0.000 0.720 995 G HN 0.948 nan 8.290 nan 0.000 0.487 996 D N 0.696 121.166 120.400 0.115 0.000 2.317 996 D HA 0.272 4.918 4.640 0.010 0.000 0.211 996 D C 0.887 177.277 176.300 0.150 0.000 0.966 996 D CA 1.804 55.943 54.000 0.233 0.000 0.876 996 D CB 0.354 41.276 40.800 0.202 0.000 0.927 996 D HN 0.878 nan 8.370 nan 0.000 0.519 997 D N -3.384 116.923 120.400 -0.155 0.000 2.783 997 D HA 0.113 4.759 4.640 0.010 0.000 0.253 997 D C -0.814 175.002 176.300 -0.808 0.000 1.206 997 D CA -0.646 52.878 54.000 -0.793 0.000 0.740 997 D CB 0.427 40.417 40.800 -1.349 0.000 1.313 997 D HN -0.263 nan 8.370 nan 0.000 0.427 998 S N 0.227 115.177 115.700 -1.251 0.000 2.602 998 S HA 0.229 4.705 4.470 0.010 0.000 0.240 998 S C 0.023 174.594 174.600 -0.048 0.000 0.992 998 S CA -0.500 57.498 58.200 -0.336 0.000 0.971 998 S CB -0.576 62.751 63.200 0.211 0.000 0.855 998 S HN 0.619 nan 8.310 nan 0.000 0.481 999 W N 1.746 122.998 121.300 -0.080 0.000 2.846 999 W HA 0.586 5.251 4.660 0.009 0.000 0.391 999 W C 0.161 176.646 176.519 -0.056 0.000 1.011 999 W CA -0.440 56.851 57.345 -0.089 0.000 1.832 999 W CB -0.367 28.964 29.460 -0.215 0.000 1.151 999 W HN 0.194 nan 8.180 nan 0.000 0.582 1000 S N -1.147 114.427 115.700 -0.211 0.000 2.588 1000 S HA 0.538 5.014 4.470 0.010 0.000 0.269 1000 S C -3.134 171.416 174.600 -0.082 0.000 1.157 1000 S CA -1.654 56.487 58.200 -0.099 0.000 0.824 1000 S CB 1.354 64.511 63.200 -0.071 0.000 1.126 1000 S HN -0.214 nan 8.310 nan 0.000 0.464 1001 P HA 0.176 nan 4.420 nan 0.000 0.259 1001 P C 0.456 177.815 177.300 0.099 0.000 1.211 1001 P CA 0.001 63.164 63.100 0.106 0.000 0.810 1001 P CB 0.163 31.911 31.700 0.080 0.000 0.815 1002 S N 0.958 116.706 115.700 0.080 0.000 2.577 1002 S HA 0.121 4.596 4.470 0.010 0.000 0.219 1002 S C 0.577 175.230 174.600 0.088 0.000 0.962 1002 S CA -0.347 57.880 58.200 0.046 0.000 0.921 1002 S CB -0.153 63.034 63.200 -0.021 0.000 0.789 1002 S HN 0.155 nan 8.310 nan 0.000 0.497 1003 V N 2.516 122.518 119.914 0.146 0.000 2.461 1003 V HA 0.386 4.511 4.120 0.010 0.000 0.275 1003 V C 0.512 176.720 176.094 0.191 0.000 1.047 1003 V CA -0.491 61.883 62.300 0.123 0.000 0.955 1003 V CB 1.312 33.140 31.823 0.008 0.000 0.988 1003 V HN 0.423 nan 8.190 nan 0.000 0.471 1004 S N 3.991 119.816 115.700 0.208 0.000 2.523 1004 S HA 0.423 4.899 4.470 0.010 0.000 0.275 1004 S C 1.523 176.261 174.600 0.230 0.000 1.281 1004 S CA -0.029 58.310 58.200 0.232 0.000 1.050 1004 S CB 1.211 64.558 63.200 0.245 0.000 0.937 1004 S HN 1.034 nan 8.310 nan 0.000 0.492 1005 A N 4.382 127.292 122.820 0.149 0.000 1.969 1005 A HA -0.238 4.087 4.320 0.010 0.000 0.223 1005 A C 2.083 179.669 177.584 0.004 0.000 1.218 1005 A CA 2.327 54.417 52.037 0.089 0.000 0.667 1005 A CB -0.834 18.200 19.000 0.056 0.000 0.826 1005 A HN 0.988 nan 8.150 nan 0.000 0.472 1006 E N -0.975 119.173 120.200 -0.086 0.000 2.268 1006 E HA -0.140 4.216 4.350 0.010 0.000 0.195 1006 E C 1.487 177.789 176.600 -0.497 0.000 0.995 1006 E CA 1.108 57.307 56.400 -0.334 0.000 0.836 1006 E CB -0.518 28.891 29.700 -0.484 0.000 0.763 1006 E HN 0.690 nan 8.360 nan 0.000 0.491 1007 F N 1.484 121.460 119.950 0.043 0.000 2.664 1007 F HA 0.162 4.695 4.527 0.009 0.000 0.296 1007 F C 1.355 177.168 175.800 0.021 0.000 1.125 1007 F CA -0.117 57.909 58.000 0.043 0.000 1.444 1007 F CB 0.134 39.159 39.000 0.042 0.000 1.114 1007 F HN -0.185 nan 8.300 nan 0.000 0.576 1008 Q N 1.763 121.629 119.800 0.109 0.000 2.337 1008 Q HA 0.125 4.471 4.340 0.010 0.000 0.270 1008 Q C -0.142 175.844 176.000 -0.023 0.000 1.002 1008 Q CA 0.043 55.864 55.803 0.029 0.000 0.888 1008 Q CB 0.849 29.613 28.738 0.043 0.000 1.222 1008 Q HN 0.294 nan 8.270 nan 0.000 0.400 1009 L N 3.008 124.235 121.223 0.007 0.000 2.399 1009 L HA 0.078 4.424 4.340 0.010 0.000 0.257 1009 L C 0.452 177.346 176.870 0.039 0.000 1.236 1009 L CA -0.003 54.857 54.840 0.033 0.000 1.144 1009 L CB -0.340 41.646 42.059 -0.121 0.000 1.379 1009 L HN 0.625 nan 8.230 nan 0.000 0.414 1010 S N -1.239 114.401 115.700 -0.100 0.000 2.741 1010 S HA 0.289 4.765 4.470 0.010 0.000 0.247 1010 S C 1.085 175.683 174.600 -0.003 0.000 1.050 1010 S CA 0.038 58.090 58.200 -0.247 0.000 1.025 1010 S CB 1.041 63.858 63.200 -0.640 0.000 0.897 1010 S HN 0.487 nan 8.310 nan 0.000 0.508 1011 A N 0.955 123.800 122.820 0.041 0.000 2.195 1011 A HA 0.648 4.973 4.320 0.010 0.000 0.210 1011 A C 1.876 179.369 177.584 -0.152 0.000 1.165 1011 A CA 0.707 52.656 52.037 -0.147 0.000 0.806 1011 A CB -0.751 18.058 19.000 -0.319 0.000 0.847 1011 A HN 1.505 nan 8.150 nan 0.000 0.482 1012 G N -1.178 107.603 108.800 -0.033 0.000 2.420 1012 G HA2 -0.249 3.717 3.960 0.010 0.000 0.221 1012 G HA3 -0.249 3.717 3.960 0.010 0.000 0.221 1012 G C 0.398 175.279 174.900 -0.033 0.000 1.117 1012 G CA 0.309 45.416 45.100 0.012 0.000 0.657 1012 G HN 0.623 nan 8.290 nan 0.000 0.512 1013 R N -0.343 120.002 120.500 -0.257 0.000 2.575 1013 R HA 0.684 5.030 4.340 0.010 0.000 0.293 1013 R C -1.490 174.496 176.300 -0.523 0.000 0.983 1013 R CA -0.556 55.424 56.100 -0.200 0.000 0.887 1013 R CB 1.323 31.558 30.300 -0.108 0.000 1.184 1013 R HN 0.235 nan 8.270 nan 0.000 0.445 1014 Y N 0.672 120.953 120.300 -0.032 0.000 2.446 1014 Y HA 0.375 4.931 4.550 0.009 0.000 0.345 1014 Y C -0.290 175.719 175.900 0.181 0.000 0.984 1014 Y CA -0.763 57.272 58.100 -0.108 0.000 1.058 1014 Y CB 1.959 40.158 38.460 -0.436 0.000 1.220 1014 Y HN 0.552 nan 8.280 nan 0.000 0.455 1015 H N 2.857 122.142 119.070 0.358 0.000 2.589 1015 H HA 0.565 5.127 4.556 0.010 0.000 0.351 1015 H C -1.793 173.892 175.328 0.594 0.000 1.074 1015 H CA -0.977 55.289 56.048 0.364 0.000 1.203 1015 H CB 0.970 30.849 29.762 0.195 0.000 1.558 1015 H HN 0.584 nan 8.280 nan 0.000 0.522 1016 Y N 2.335 122.368 120.300 -0.444 0.000 2.482 1016 Y HA 0.363 4.919 4.550 0.010 0.000 0.334 1016 Y C -1.859 173.874 175.900 -0.279 0.000 1.091 1016 Y CA -1.095 56.889 58.100 -0.193 0.000 1.027 1016 Y CB 1.218 39.686 38.460 0.014 0.000 1.306 1016 Y HN 0.715 nan 8.280 nan 0.000 0.446 1017 Q N 4.426 124.215 119.800 -0.019 0.000 2.356 1017 Q HA 0.802 5.147 4.340 0.010 0.000 0.270 1017 Q C -2.098 173.966 176.000 0.107 0.000 1.058 1017 Q CA -0.969 54.840 55.803 0.010 0.000 0.802 1017 Q CB 3.182 31.963 28.738 0.072 0.000 1.303 1017 Q HN 0.897 nan 8.270 nan 0.000 0.444 1018 L N 1.950 123.219 121.223 0.076 0.000 2.309 1018 L HA 0.785 5.131 4.340 0.010 0.000 0.261 1018 L C -1.195 175.760 176.870 0.142 0.000 1.021 1018 L CA -1.416 53.486 54.840 0.103 0.000 0.823 1018 L CB 2.766 44.863 42.059 0.063 0.000 1.366 1018 L HN 0.592 nan 8.230 nan 0.000 0.423 1019 V N 0.917 120.941 119.914 0.184 0.000 2.610 1019 V HA 0.298 4.423 4.120 0.010 0.000 0.298 1019 V C -1.301 174.932 176.094 0.232 0.000 1.067 1019 V CA -0.536 61.887 62.300 0.204 0.000 0.894 1019 V CB 2.260 34.185 31.823 0.170 0.000 1.015 1019 V HN 0.595 nan 8.190 nan 0.000 0.432 1020 W N 6.694 128.019 121.300 0.042 0.000 2.496 1020 W HA 0.770 5.435 4.660 0.010 0.000 0.327 1020 W C -0.327 176.145 176.519 -0.078 0.000 1.086 1020 W CA -1.084 56.188 57.345 -0.121 0.000 1.222 1020 W CB 1.539 30.996 29.460 -0.005 0.000 1.304 1020 W HN 0.861 nan 8.180 nan 0.000 0.547 1021 C N 4.373 123.926 119.300 0.422 0.000 3.302 1021 C HA 0.392 4.858 4.460 0.010 0.000 0.347 1021 C C -0.576 174.511 174.990 0.162 0.000 1.218 1021 C CA -1.011 58.160 59.018 0.254 0.000 1.234 1021 C CB 1.438 29.279 27.740 0.169 0.000 1.551 1021 C HN 0.739 nan 8.230 nan 0.000 0.501 1022 Q N 1.840 121.709 119.800 0.116 0.000 2.259 1022 Q HA 0.709 5.055 4.340 0.010 0.000 0.246 1022 Q C -0.591 175.416 176.000 0.010 0.000 0.920 1022 Q CA 0.225 56.047 55.803 0.032 0.000 0.895 1022 Q CB 1.683 30.409 28.738 -0.021 0.000 1.220 1022 Q HN 0.952 nan 8.270 nan 0.000 0.439 1023 K N 0.000 120.386 120.400 -0.023 0.000 2.780 1023 K HA 0.000 4.326 4.320 0.010 0.000 0.191 1023 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 1023 K CB 0.000 32.502 32.500 0.003 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543