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 1bgl_1_B DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.150 176.117 0.055 0.000 1.063 3 I CA 0.000 61.331 61.300 0.051 0.000 1.566 3 I CB 0.000 38.018 38.000 0.031 0.000 1.214 4 T N -1.988 112.600 114.554 0.057 0.000 3.160 4 T HA 0.119 4.469 4.350 0.000 0.000 0.257 4 T C 0.757 175.499 174.700 0.070 0.000 1.147 4 T CA 1.069 63.191 62.100 0.036 0.000 1.064 4 T CB -0.411 68.477 68.868 0.034 0.000 0.949 4 T HN 0.322 nan 8.240 nan 0.000 0.526 5 D N 1.536 122.030 120.400 0.157 0.000 2.407 5 D HA 0.119 4.759 4.640 0.000 0.000 0.208 5 D C 0.850 177.378 176.300 0.378 0.000 1.083 5 D CA 0.083 54.276 54.000 0.322 0.000 0.844 5 D CB 0.451 41.480 40.800 0.382 0.000 0.967 5 D HN 0.572 nan 8.370 nan 0.000 0.506 6 S N 0.577 116.386 115.700 0.182 0.000 2.549 6 S HA 0.050 4.520 4.470 0.000 0.000 0.279 6 S C 1.450 176.121 174.600 0.118 0.000 1.321 6 S CA -0.607 57.666 58.200 0.122 0.000 1.054 6 S CB 1.232 64.464 63.200 0.054 0.000 0.899 6 S HN -0.141 nan 8.310 nan 0.000 0.497 7 L N 3.167 124.445 121.223 0.092 0.000 2.103 7 L HA -0.170 4.170 4.340 0.000 0.000 0.215 7 L C 2.876 179.773 176.870 0.045 0.000 1.080 7 L CA 2.360 57.248 54.840 0.080 0.000 0.764 7 L CB -2.013 40.038 42.059 -0.013 0.000 0.890 7 L HN 0.996 nan 8.230 nan 0.000 0.435 8 A N -1.842 120.989 122.820 0.019 0.000 2.015 8 A HA -0.085 4.235 4.320 0.000 0.000 0.219 8 A C 2.448 180.025 177.584 -0.011 0.000 1.163 8 A CA 1.543 53.584 52.037 0.006 0.000 0.646 8 A CB -0.526 18.474 19.000 0.000 0.000 0.806 8 A HN 0.236 nan 8.150 nan 0.000 0.448 9 V N -0.854 119.045 119.914 -0.025 0.000 2.379 9 V HA -0.134 3.986 4.120 0.000 0.000 0.243 9 V C 2.551 178.555 176.094 -0.149 0.000 1.035 9 V CA 1.629 63.886 62.300 -0.073 0.000 1.035 9 V CB -0.153 31.633 31.823 -0.063 0.000 0.673 9 V HN 0.349 nan 8.190 nan 0.000 0.457 10 V N 0.675 120.483 119.914 -0.177 0.000 2.295 10 V HA -0.235 3.885 4.120 0.000 0.000 0.246 10 V C 2.170 178.118 176.094 -0.244 0.000 1.049 10 V CA 2.084 64.149 62.300 -0.391 0.000 1.024 10 V CB -0.643 30.830 31.823 -0.584 0.000 0.648 10 V HN 0.508 nan 8.190 nan 0.000 0.447 11 L N -0.342 120.869 121.223 -0.019 0.000 2.551 11 L HA -0.084 4.256 4.340 0.000 0.000 0.228 11 L C 2.401 179.315 176.870 0.073 0.000 1.153 11 L CA 0.658 55.617 54.840 0.198 0.000 0.851 11 L CB -0.751 41.508 42.059 0.334 0.000 0.959 11 L HN 0.305 nan 8.230 nan 0.000 0.451 12 Q N 2.090 121.868 119.800 -0.038 0.000 2.124 12 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 12 Q C 2.159 178.079 176.000 -0.133 0.000 0.977 12 Q CA 1.701 57.462 55.803 -0.070 0.000 0.850 12 Q CB -0.062 28.629 28.738 -0.079 0.000 0.901 12 Q HN 0.605 nan 8.270 nan 0.000 0.429 13 R N -0.685 119.706 120.500 -0.183 0.000 2.297 13 R HA 0.249 4.589 4.340 0.000 0.000 0.197 13 R C 0.002 176.082 176.300 -0.366 0.000 0.943 13 R CA 0.062 56.022 56.100 -0.234 0.000 1.038 13 R CB -0.146 30.016 30.300 -0.230 0.000 0.957 13 R HN -0.019 nan 8.270 nan 0.000 0.484 14 R N 1.664 121.839 120.500 -0.542 0.000 3.092 14 R HA -0.170 4.170 4.340 0.000 0.000 0.245 14 R C -0.584 175.135 176.300 -0.969 0.000 0.881 14 R CA 0.532 55.891 56.100 -1.235 0.000 0.614 14 R CB -1.124 28.653 30.300 -0.871 0.000 1.128 14 R HN 0.431 nan 8.270 nan 0.000 0.483 15 D N -0.192 119.844 120.400 -0.608 0.000 2.264 15 D HA -0.150 4.490 4.640 0.000 0.000 0.208 15 D C 1.535 177.739 176.300 -0.161 0.000 0.966 15 D CA 1.356 55.124 54.000 -0.387 0.000 0.864 15 D CB -0.082 40.399 40.800 -0.531 0.000 0.933 15 D HN 0.720 nan 8.370 nan 0.000 0.499 16 W N 1.297 122.634 121.300 0.062 0.000 3.377 16 W HA 0.246 4.906 4.660 0.000 0.000 0.277 16 W C 0.305 176.918 176.519 0.156 0.000 1.311 16 W CA -0.325 57.134 57.345 0.190 0.000 1.703 16 W CB -0.313 29.290 29.460 0.239 0.000 1.095 16 W HN -0.197 nan 8.180 nan 0.000 0.715 17 E N 1.198 121.228 120.200 -0.283 0.000 3.306 17 E HA 0.053 4.403 4.350 0.000 0.000 0.197 17 E C -0.787 175.664 176.600 -0.250 0.000 0.980 17 E CA -0.237 56.050 56.400 -0.188 0.000 1.259 17 E CB -0.138 29.440 29.700 -0.203 0.000 1.112 17 E HN 0.072 nan 8.360 nan 0.000 0.458 18 N N 0.906 119.487 118.700 -0.199 0.000 2.578 18 N HA 0.134 4.874 4.740 0.000 0.000 0.282 18 N C -2.496 172.860 175.510 -0.257 0.000 1.119 18 N CA -1.807 51.089 53.050 -0.257 0.000 0.948 18 N CB 1.704 40.046 38.487 -0.241 0.000 1.546 18 N HN -0.228 nan 8.380 nan 0.000 0.525 19 P HA 0.121 nan 4.420 nan 0.000 0.237 19 P C 1.130 178.187 177.300 -0.406 0.000 1.178 19 P CA 0.500 63.248 63.100 -0.587 0.000 0.766 19 P CB 0.204 31.080 31.700 -1.373 0.000 0.876 20 G N 0.460 109.069 108.800 -0.320 0.000 2.404 20 G HA2 -0.074 3.886 3.960 0.000 0.000 0.215 20 G HA3 -0.074 3.886 3.960 0.000 0.000 0.215 20 G C 0.419 175.232 174.900 -0.144 0.000 1.174 20 G CA 0.348 45.315 45.100 -0.222 0.000 0.780 20 G HN 0.201 nan 8.290 nan 0.000 0.537 21 V N 1.582 121.427 119.914 -0.115 0.000 2.383 21 V HA 0.432 4.552 4.120 0.000 0.000 0.275 21 V C 0.886 177.016 176.094 0.060 0.000 1.036 21 V CA 0.433 62.716 62.300 -0.029 0.000 0.889 21 V CB 1.157 32.950 31.823 -0.050 0.000 0.985 21 V HN 0.400 nan 8.190 nan 0.000 0.459 22 T N 0.424 115.029 114.554 0.084 0.000 3.058 22 T HA 0.429 4.779 4.350 0.000 0.000 0.278 22 T C 0.054 174.816 174.700 0.103 0.000 0.974 22 T CA -0.033 62.127 62.100 0.100 0.000 0.893 22 T CB 0.233 69.111 68.868 0.017 0.000 1.138 22 T HN 0.822 nan 8.240 nan 0.000 0.529 23 Q N 0.279 120.190 119.800 0.184 0.000 2.852 23 Q HA 0.587 4.927 4.340 0.000 0.000 0.250 23 Q C -2.644 173.495 176.000 0.233 0.000 0.988 23 Q CA -1.016 54.893 55.803 0.175 0.000 0.905 23 Q CB 0.137 28.889 28.738 0.023 0.000 1.896 23 Q HN 0.062 nan 8.270 nan 0.000 0.464 24 L N 3.151 124.565 121.223 0.318 0.000 2.376 24 L HA 0.624 4.964 4.340 0.000 0.000 0.275 24 L C -0.318 176.702 176.870 0.250 0.000 0.987 24 L CA -0.137 54.881 54.840 0.297 0.000 0.828 24 L CB 1.297 43.639 42.059 0.471 0.000 1.249 24 L HN 0.883 nan 8.230 nan 0.000 0.409 25 N N 0.797 119.595 118.700 0.163 0.000 2.800 25 N HA -0.235 4.506 4.740 0.000 0.000 0.250 25 N C 0.478 176.043 175.510 0.091 0.000 1.078 25 N CA 0.654 53.790 53.050 0.144 0.000 0.804 25 N CB -0.771 37.791 38.487 0.124 0.000 1.135 25 N HN 0.665 nan 8.380 nan 0.000 0.565 26 R N 1.101 121.552 120.500 -0.081 0.000 2.438 26 R HA 0.394 4.734 4.340 0.000 0.000 0.287 26 R C 0.576 176.730 176.300 -0.243 0.000 1.077 26 R CA -0.328 55.497 56.100 -0.460 0.000 1.034 26 R CB 0.546 30.601 30.300 -0.408 0.000 0.993 26 R HN 0.129 nan 8.270 nan 0.000 0.459 27 L N 3.076 124.147 121.223 -0.253 0.000 2.466 27 L HA 0.333 4.673 4.340 0.000 0.000 0.257 27 L C 0.809 177.656 176.870 -0.037 0.000 1.189 27 L CA -0.651 54.139 54.840 -0.082 0.000 0.813 27 L CB 0.734 42.782 42.059 -0.017 0.000 1.118 27 L HN 0.765 nan 8.230 nan 0.000 0.471 28 A N 1.127 123.967 122.820 0.032 0.000 2.429 28 A HA 0.486 4.806 4.320 0.000 0.000 0.242 28 A C 0.303 177.956 177.584 0.116 0.000 1.088 28 A CA 0.143 52.215 52.037 0.059 0.000 0.784 28 A CB 0.115 19.167 19.000 0.087 0.000 1.038 28 A HN 0.813 nan 8.150 nan 0.000 0.501 29 A N 0.460 123.303 122.820 0.038 0.000 2.304 29 A HA 0.702 5.022 4.320 0.000 0.000 0.271 29 A C 0.062 177.665 177.584 0.032 0.000 1.091 29 A CA 0.404 52.405 52.037 -0.060 0.000 0.812 29 A CB -0.032 18.914 19.000 -0.090 0.000 1.056 29 A HN 1.738 nan 8.150 nan 0.000 0.489 30 H N -2.367 116.618 119.070 -0.142 0.000 2.917 30 H HA 0.602 5.158 4.556 0.000 0.000 0.299 30 H C -3.290 171.812 175.328 -0.376 0.000 1.418 30 H CA -1.811 54.105 56.048 -0.219 0.000 1.138 30 H CB 0.063 29.660 29.762 -0.275 0.000 1.830 30 H HN 0.387 nan 8.280 nan 0.000 0.514 31 P HA 0.176 nan 4.420 nan 0.000 0.275 31 P C -2.545 174.491 177.300 -0.440 0.000 1.270 31 P CA -1.272 61.605 63.100 -0.372 0.000 0.791 31 P CB -0.314 31.079 31.700 -0.511 0.000 1.089 32 P HA 0.200 nan 4.420 nan 0.000 0.276 32 P C -0.923 176.392 177.300 0.025 0.000 1.235 32 P CA 0.639 63.668 63.100 -0.117 0.000 0.772 32 P CB 0.036 31.752 31.700 0.027 0.000 0.871 33 F N 1.499 121.584 119.950 0.226 0.000 2.492 33 F HA 0.610 5.137 4.527 0.000 0.000 0.327 33 F C 1.026 176.796 175.800 -0.051 0.000 1.079 33 F CA -0.991 57.081 58.000 0.119 0.000 0.967 33 F CB 1.268 40.307 39.000 0.066 0.000 1.169 33 F HN 0.292 nan 8.300 nan 0.000 0.472 34 A N 0.475 123.290 122.820 -0.008 0.000 2.066 34 A HA 0.348 4.668 4.320 0.000 0.000 0.198 34 A C 0.906 178.225 177.584 -0.440 0.000 1.405 34 A CA 0.716 52.475 52.037 -0.463 0.000 0.973 34 A CB -0.266 17.870 19.000 -1.440 0.000 1.026 34 A HN 0.921 nan 8.150 nan 0.000 0.474 35 S N -0.478 115.066 115.700 -0.261 0.000 3.812 35 S HA -0.127 4.343 4.470 0.000 0.000 0.341 35 S C 0.086 174.647 174.600 -0.065 0.000 1.057 35 S CA 0.396 58.505 58.200 -0.152 0.000 1.015 35 S CB -1.891 61.214 63.200 -0.159 0.000 0.893 35 S HN 0.485 nan 8.310 nan 0.000 0.476 36 W N 0.942 122.257 121.300 0.025 0.000 2.131 36 W HA 0.162 4.822 4.660 0.000 0.000 0.357 36 W C 1.646 178.175 176.519 0.016 0.000 1.312 36 W CA -0.007 57.357 57.345 0.031 0.000 1.334 36 W CB 0.039 29.516 29.460 0.028 0.000 1.238 36 W HN 0.359 nan 8.180 nan 0.000 0.626 37 R N 0.457 121.128 120.500 0.284 0.000 2.519 37 R HA 0.043 4.383 4.340 0.000 0.000 0.375 37 R C -0.495 175.885 176.300 0.132 0.000 0.926 37 R CA -0.250 55.947 56.100 0.162 0.000 1.166 37 R CB 0.065 30.441 30.300 0.127 0.000 1.626 37 R HN 0.321 nan 8.270 nan 0.000 0.529 38 N N 0.463 119.253 118.700 0.150 0.000 2.533 38 N HA 0.002 4.742 4.740 0.000 0.000 0.289 38 N C 0.766 176.275 175.510 -0.000 0.000 1.103 38 N CA -0.038 53.054 53.050 0.070 0.000 0.877 38 N CB 1.753 40.279 38.487 0.066 0.000 1.419 38 N HN -0.067 nan 8.380 nan 0.000 0.517 39 S N 2.517 118.201 115.700 -0.028 0.000 2.380 39 S HA -0.276 4.194 4.470 0.000 0.000 0.229 39 S C 1.402 175.893 174.600 -0.183 0.000 1.043 39 S CA 1.630 59.780 58.200 -0.083 0.000 1.038 39 S CB -0.408 62.768 63.200 -0.039 0.000 0.872 39 S HN 0.739 nan 8.310 nan 0.000 0.456 40 E N 1.220 121.322 120.200 -0.163 0.000 2.015 40 E HA -0.152 4.198 4.350 0.000 0.000 0.191 40 E C 2.272 178.693 176.600 -0.299 0.000 0.991 40 E CA 1.346 57.607 56.400 -0.233 0.000 0.802 40 E CB -0.198 29.396 29.700 -0.176 0.000 0.759 40 E HN 0.713 nan 8.360 nan 0.000 0.447 41 E N 0.057 120.121 120.200 -0.227 0.000 2.169 41 E HA -0.304 4.046 4.350 0.000 0.000 0.202 41 E C 1.991 178.173 176.600 -0.697 0.000 1.016 41 E CA 1.077 57.333 56.400 -0.239 0.000 0.817 41 E CB -0.231 29.479 29.700 0.017 0.000 0.736 41 E HN 0.333 nan 8.360 nan 0.000 0.462 42 A N 1.418 123.564 122.820 -1.123 0.000 1.897 42 A HA -0.158 4.162 4.320 0.000 0.000 0.215 42 A C 2.127 179.171 177.584 -0.901 0.000 1.181 42 A CA 1.238 52.191 52.037 -1.807 0.000 0.620 42 A CB -0.420 17.772 19.000 -1.347 0.000 0.821 42 A HN 0.076 nan 8.150 nan 0.000 0.443 43 R N -0.152 120.011 120.500 -0.562 0.000 2.096 43 R HA -0.158 4.182 4.340 0.000 0.000 0.240 43 R C 2.017 178.093 176.300 -0.374 0.000 1.139 43 R CA 2.160 57.991 56.100 -0.448 0.000 0.952 43 R CB -0.522 29.427 30.300 -0.584 0.000 0.854 43 R HN 0.626 nan 8.270 nan 0.000 0.436 44 T N -2.101 112.247 114.554 -0.344 0.000 3.252 44 T HA 0.003 4.353 4.350 0.000 0.000 0.250 44 T C 0.321 174.945 174.700 -0.127 0.000 1.123 44 T CA 0.485 62.457 62.100 -0.213 0.000 1.006 44 T CB -0.002 68.761 68.868 -0.175 0.000 0.992 44 T HN 0.314 nan 8.240 nan 0.000 0.547 45 D N 0.788 121.082 120.400 -0.177 0.000 2.792 45 D HA -0.166 4.474 4.640 0.000 0.000 0.231 45 D C 0.519 176.933 176.300 0.191 0.000 1.160 45 D CA 0.464 54.493 54.000 0.048 0.000 0.697 45 D CB -1.098 39.770 40.800 0.114 0.000 1.070 45 D HN 0.627 nan 8.370 nan 0.000 0.426 46 R N -0.255 120.339 120.500 0.157 0.000 3.160 46 R HA 0.347 4.687 4.340 0.000 0.000 0.266 46 R C -2.039 174.500 176.300 0.399 0.000 1.167 46 R CA -0.175 56.063 56.100 0.230 0.000 1.124 46 R CB 0.169 30.574 30.300 0.175 0.000 1.034 46 R HN 0.067 nan 8.270 nan 0.000 0.536 47 P HA 0.158 nan 4.420 nan 0.000 0.306 47 P C -1.537 175.875 177.300 0.187 0.000 1.385 47 P CA -0.534 62.700 63.100 0.222 0.000 0.915 47 P CB 2.049 33.832 31.700 0.138 0.000 1.013 48 S N 2.410 118.107 115.700 -0.005 0.000 2.565 48 S HA 0.101 4.572 4.470 0.000 0.000 0.274 48 S C 0.914 175.520 174.600 0.011 0.000 1.309 48 S CA -0.287 57.845 58.200 -0.112 0.000 1.043 48 S CB 0.403 63.276 63.200 -0.546 0.000 0.939 48 S HN 0.365 nan 8.310 nan 0.000 0.504 49 Q N 2.159 122.009 119.800 0.084 0.000 2.403 49 Q HA 0.066 4.406 4.340 0.000 0.000 0.203 49 Q C 0.893 177.042 176.000 0.249 0.000 0.932 49 Q CA 0.283 56.170 55.803 0.141 0.000 0.945 49 Q CB -0.114 28.708 28.738 0.139 0.000 1.045 49 Q HN 0.687 nan 8.270 nan 0.000 0.511 50 Q N 0.151 120.054 119.800 0.173 0.000 2.408 50 Q HA 0.126 4.466 4.340 0.000 0.000 0.205 50 Q C -0.453 175.641 176.000 0.156 0.000 0.919 50 Q CA 0.318 56.228 55.803 0.179 0.000 0.932 50 Q CB 0.648 29.388 28.738 0.004 0.000 1.058 50 Q HN 0.126 nan 8.270 nan 0.000 0.517 51 L N 1.101 122.394 121.223 0.116 0.000 2.294 51 L HA 0.402 4.742 4.340 0.000 0.000 0.283 51 L C -1.131 175.826 176.870 0.144 0.000 1.015 51 L CA -0.164 54.732 54.840 0.093 0.000 0.831 51 L CB 0.960 43.004 42.059 -0.025 0.000 1.217 51 L HN -0.131 nan 8.230 nan 0.000 0.420 52 R N 2.585 123.205 120.500 0.200 0.000 2.445 52 R HA 0.434 4.774 4.340 0.000 0.000 0.308 52 R C -0.573 175.769 176.300 0.069 0.000 0.961 52 R CA -0.508 55.672 56.100 0.132 0.000 0.862 52 R CB 2.075 32.467 30.300 0.153 0.000 1.144 52 R HN 0.677 nan 8.270 nan 0.000 0.447 53 S N 2.780 118.507 115.700 0.044 0.000 2.584 53 S HA 0.270 4.740 4.470 0.000 0.000 0.273 53 S C 0.804 175.417 174.600 0.021 0.000 1.311 53 S CA -0.468 57.751 58.200 0.033 0.000 1.034 53 S CB 0.523 63.750 63.200 0.046 0.000 0.939 53 S HN 0.576 nan 8.310 nan 0.000 0.513 54 L N 3.281 124.527 121.223 0.037 0.000 3.014 54 L HA 0.316 4.656 4.340 0.000 0.000 0.263 54 L C -0.063 177.001 176.870 0.324 0.000 1.207 54 L CA -0.383 54.499 54.840 0.070 0.000 1.017 54 L CB -0.196 41.851 42.059 -0.021 0.000 1.360 54 L HN 0.511 nan 8.230 nan 0.000 0.560 55 N N 1.549 120.378 118.700 0.215 0.000 2.518 55 N HA 0.517 5.257 4.740 0.000 0.000 0.266 55 N C 0.642 176.309 175.510 0.261 0.000 1.196 55 N CA 0.844 54.023 53.050 0.214 0.000 0.947 55 N CB 1.709 40.246 38.487 0.083 0.000 1.098 55 N HN 0.335 nan 8.380 nan 0.000 0.450 56 G N 0.980 109.964 108.800 0.307 0.000 2.292 56 G HA2 -0.081 3.879 3.960 0.000 0.000 0.194 56 G HA3 -0.081 3.879 3.960 0.000 0.000 0.194 56 G C -1.359 173.781 174.900 0.400 0.000 1.329 56 G CA -0.778 44.483 45.100 0.268 0.000 1.100 56 G HN 0.461 nan 8.290 nan 0.000 0.470 57 E N -0.206 120.188 120.200 0.323 0.000 2.316 57 E HA 0.518 4.868 4.350 0.000 0.000 0.275 57 E C -1.161 175.740 176.600 0.501 0.000 1.029 57 E CA 0.177 56.781 56.400 0.340 0.000 0.871 57 E CB 0.710 30.519 29.700 0.182 0.000 1.022 57 E HN 0.404 nan 8.360 nan 0.000 0.418 58 W N 1.736 123.123 121.300 0.145 0.000 3.107 58 W HA 0.388 5.048 4.660 0.000 0.000 0.331 58 W C -0.277 176.359 176.519 0.195 0.000 1.204 58 W CA -0.806 56.654 57.345 0.192 0.000 1.184 58 W CB 0.898 30.529 29.460 0.286 0.000 1.421 58 W HN 0.273 nan 8.180 nan 0.000 0.544 59 R N 1.568 122.319 120.500 0.419 0.000 2.490 59 R HA 0.627 4.967 4.340 0.000 0.000 0.278 59 R C -1.187 175.330 176.300 0.361 0.000 1.069 59 R CA -0.552 55.740 56.100 0.320 0.000 1.080 59 R CB 1.086 31.523 30.300 0.229 0.000 1.030 59 R HN 0.455 nan 8.270 nan 0.000 0.491 60 F N 0.189 120.163 119.950 0.041 0.000 2.608 60 F HA 0.599 5.126 4.527 0.000 0.000 0.309 60 F C -1.598 174.071 175.800 -0.219 0.000 1.103 60 F CA -0.540 57.344 58.000 -0.193 0.000 0.954 60 F CB 1.931 40.698 39.000 -0.388 0.000 1.267 60 F HN 0.630 nan 8.300 nan 0.000 0.444 61 A N 3.983 126.004 122.820 -1.332 0.000 2.539 61 A HA 0.675 4.995 4.320 0.000 0.000 0.296 61 A C -2.495 174.256 177.584 -1.388 0.000 1.073 61 A CA -0.613 50.842 52.037 -0.970 0.000 0.700 61 A CB 1.062 19.792 19.000 -0.450 0.000 1.296 61 A HN 1.013 nan 8.150 nan 0.000 0.405 62 W N 1.814 122.414 121.300 -1.166 0.000 2.702 62 W HA 0.761 5.421 4.660 0.000 0.000 0.331 62 W C -2.200 173.822 176.519 -0.829 0.000 1.049 62 W CA -0.635 56.154 57.345 -0.927 0.000 1.230 62 W CB 1.398 30.469 29.460 -0.648 0.000 1.408 62 W HN 0.517 nan 8.180 nan 0.000 0.492 63 F N 5.653 125.008 119.950 -0.992 0.000 2.588 63 F HA 0.424 4.951 4.527 0.000 0.000 0.314 63 F C -1.403 173.517 175.800 -1.468 0.000 1.069 63 F CA -2.371 55.122 58.000 -0.845 0.000 0.931 63 F CB 1.659 40.323 39.000 -0.561 0.000 1.260 63 F HN 0.168 nan 8.300 nan 0.000 0.465 64 P HA 0.083 nan 4.420 nan 0.000 0.225 64 P C -0.338 176.807 177.300 -0.259 0.000 1.156 64 P CA 0.953 63.792 63.100 -0.434 0.000 0.787 64 P CB 0.579 32.295 31.700 0.028 0.000 0.802 65 A N -0.995 121.697 122.820 -0.213 0.000 2.604 65 A HA 0.546 4.866 4.320 0.000 0.000 0.295 65 A C -2.338 175.119 177.584 -0.212 0.000 1.067 65 A CA -1.208 50.740 52.037 -0.149 0.000 0.683 65 A CB 0.633 19.614 19.000 -0.033 0.000 1.281 65 A HN -0.281 nan 8.150 nan 0.000 0.407 66 P HA -0.179 nan 4.420 nan 0.000 0.216 66 P C 0.599 177.773 177.300 -0.210 0.000 1.150 66 P CA 1.560 64.492 63.100 -0.280 0.000 0.837 66 P CB -0.035 31.471 31.700 -0.324 0.000 0.786 67 E N -0.513 119.628 120.200 -0.097 0.000 2.322 67 E HA 0.240 4.590 4.350 0.000 0.000 0.195 67 E C 0.834 177.378 176.600 -0.094 0.000 1.198 67 E CA 0.296 56.663 56.400 -0.056 0.000 1.132 67 E CB -0.468 29.245 29.700 0.023 0.000 1.213 67 E HN 0.223 nan 8.360 nan 0.000 0.450 68 A N 0.291 122.992 122.820 -0.197 0.000 2.606 68 A HA 0.211 4.532 4.320 0.000 0.000 0.230 68 A C 0.625 177.964 177.584 -0.409 0.000 1.279 68 A CA -0.308 51.636 52.037 -0.154 0.000 1.010 68 A CB 0.680 19.685 19.000 0.008 0.000 1.271 68 A HN 0.113 nan 8.150 nan 0.000 0.584 69 V N 2.804 122.260 119.914 -0.763 0.000 2.715 69 V HA 0.251 4.371 4.120 0.000 0.000 0.299 69 V C -2.296 173.507 176.094 -0.484 0.000 1.054 69 V CA -1.016 60.594 62.300 -1.150 0.000 1.077 69 V CB 0.712 31.823 31.823 -1.187 0.000 0.972 69 V HN 0.299 nan 8.190 nan 0.000 0.484 70 P HA 0.304 nan 4.420 nan 0.000 0.285 70 P C 0.431 177.701 177.300 -0.049 0.000 1.259 70 P CA -0.455 62.581 63.100 -0.106 0.000 0.794 70 P CB 1.117 32.811 31.700 -0.009 0.000 0.940 71 E N 1.687 121.861 120.200 -0.042 0.000 2.171 71 E HA -0.207 4.143 4.350 0.000 0.000 0.197 71 E C 1.543 178.128 176.600 -0.024 0.000 0.997 71 E CA 2.004 58.382 56.400 -0.037 0.000 0.810 71 E CB -0.337 29.343 29.700 -0.032 0.000 0.738 71 E HN 0.431 nan 8.360 nan 0.000 0.467 72 S N -0.352 115.351 115.700 0.004 0.000 2.402 72 S HA -0.231 4.239 4.470 0.000 0.000 0.233 72 S C 1.592 176.201 174.600 0.015 0.000 1.030 72 S CA 1.067 59.272 58.200 0.008 0.000 1.003 72 S CB -0.837 62.381 63.200 0.030 0.000 0.813 72 S HN 0.571 nan 8.310 nan 0.000 0.477 73 W N 2.593 123.807 121.300 -0.144 0.000 2.325 73 W HA -0.075 4.585 4.660 0.000 0.000 0.299 73 W C 1.652 178.057 176.519 -0.191 0.000 1.215 73 W CA 0.909 58.159 57.345 -0.158 0.000 1.244 73 W CB -0.474 28.858 29.460 -0.213 0.000 1.140 73 W HN 0.231 nan 8.180 nan 0.000 0.523 74 L N 0.043 121.016 121.223 -0.418 0.000 2.141 74 L HA -0.165 4.175 4.340 0.000 0.000 0.209 74 L C 2.561 179.201 176.870 -0.383 0.000 1.094 74 L CA 1.323 55.797 54.840 -0.609 0.000 0.763 74 L CB -0.713 41.053 42.059 -0.488 0.000 0.908 74 L HN -0.045 nan 8.230 nan 0.000 0.437 75 E N -0.743 119.317 120.200 -0.232 0.000 2.075 75 E HA 0.024 4.374 4.350 0.000 0.000 0.190 75 E C 0.438 176.957 176.600 -0.135 0.000 0.969 75 E CA 0.569 56.883 56.400 -0.144 0.000 0.815 75 E CB 0.406 30.060 29.700 -0.077 0.000 0.776 75 E HN 0.424 nan 8.360 nan 0.000 0.457 76 C N 0.721 119.951 119.300 -0.117 0.000 3.090 76 C HA 0.446 4.906 4.460 0.000 0.000 0.305 76 C C -0.052 174.922 174.990 -0.027 0.000 1.292 76 C CA -1.518 57.459 59.018 -0.068 0.000 1.482 76 C CB 1.441 29.166 27.740 -0.025 0.000 1.897 76 C HN 0.122 nan 8.230 nan 0.000 0.469 77 D N 0.742 121.148 120.400 0.010 0.000 2.362 77 D HA 0.289 4.929 4.640 0.000 0.000 0.238 77 D C -0.379 175.996 176.300 0.124 0.000 1.212 77 D CA 0.382 54.438 54.000 0.093 0.000 0.902 77 D CB 0.575 41.425 40.800 0.083 0.000 1.180 77 D HN 0.401 nan 8.370 nan 0.000 0.445 78 L N 2.918 124.242 121.223 0.168 0.000 2.289 78 L HA 0.188 4.528 4.340 0.000 0.000 0.285 78 L C -1.108 175.813 176.870 0.084 0.000 1.049 78 L CA -1.692 53.224 54.840 0.127 0.000 0.804 78 L CB 1.512 43.656 42.059 0.142 0.000 1.195 78 L HN 0.193 nan 8.230 nan 0.000 0.428 79 P HA -0.221 nan 4.420 nan 0.000 0.216 79 P C 0.709 178.033 177.300 0.040 0.000 1.154 79 P CA 1.460 64.587 63.100 0.045 0.000 0.865 79 P CB 0.153 31.875 31.700 0.036 0.000 0.789 80 E N -0.445 119.774 120.200 0.033 0.000 2.512 80 E HA 0.298 4.648 4.350 0.000 0.000 0.195 80 E C 0.758 177.366 176.600 0.013 0.000 1.083 80 E CA -0.090 56.318 56.400 0.014 0.000 0.873 80 E CB -0.629 29.067 29.700 -0.008 0.000 0.897 80 E HN 0.226 nan 8.360 nan 0.000 0.514 81 A N 0.946 123.789 122.820 0.038 0.000 2.322 81 A HA 0.271 4.591 4.320 0.000 0.000 0.269 81 A C -0.183 177.453 177.584 0.086 0.000 1.094 81 A CA -0.590 51.475 52.037 0.047 0.000 0.807 81 A CB 0.516 19.567 19.000 0.085 0.000 1.047 81 A HN 0.049 nan 8.150 nan 0.000 0.487 82 D N -0.327 120.154 120.400 0.135 0.000 2.494 82 D HA 0.562 5.202 4.640 0.000 0.000 0.259 82 D C -0.775 175.635 176.300 0.183 0.000 1.109 82 D CA 0.030 54.130 54.000 0.166 0.000 1.040 82 D CB 1.427 42.379 40.800 0.254 0.000 1.175 82 D HN 0.361 nan 8.370 nan 0.000 0.584 83 T N 0.604 115.251 114.554 0.155 0.000 2.864 83 T HA 0.439 4.789 4.350 0.000 0.000 0.310 83 T C -0.184 174.596 174.700 0.134 0.000 1.040 83 T CA -0.417 61.778 62.100 0.159 0.000 0.977 83 T CB 0.873 69.813 68.868 0.120 0.000 0.976 83 T HN -0.013 nan 8.240 nan 0.000 0.459 84 V N 3.364 123.386 119.914 0.181 0.000 3.096 84 V HA 0.586 4.706 4.120 0.000 0.000 0.319 84 V C -0.049 176.155 176.094 0.182 0.000 1.103 84 V CA -0.768 61.611 62.300 0.131 0.000 1.016 84 V CB 2.370 34.262 31.823 0.115 0.000 1.090 84 V HN 0.539 nan 8.190 nan 0.000 0.449 85 V N 2.175 122.177 119.914 0.146 0.000 2.472 85 V HA 0.496 4.616 4.120 0.000 0.000 0.290 85 V C -0.384 175.750 176.094 0.067 0.000 1.037 85 V CA -0.204 62.174 62.300 0.129 0.000 0.908 85 V CB 1.877 33.749 31.823 0.082 0.000 0.985 85 V HN 0.558 nan 8.190 nan 0.000 0.454 86 V N 7.699 127.594 119.914 -0.032 0.000 2.604 86 V HA 0.507 4.628 4.120 0.000 0.000 0.305 86 V C -2.242 173.763 176.094 -0.148 0.000 1.043 86 V CA -1.756 60.407 62.300 -0.229 0.000 0.888 86 V CB 2.469 33.818 31.823 -0.790 0.000 0.995 86 V HN 0.763 nan 8.190 nan 0.000 0.429 87 P HA 0.463 nan 4.420 nan 0.000 0.276 87 P C -0.808 176.431 177.300 -0.103 0.000 1.244 87 P CA -0.111 62.892 63.100 -0.162 0.000 0.801 87 P CB 1.351 32.976 31.700 -0.124 0.000 1.006 88 S N -0.183 115.474 115.700 -0.071 0.000 2.633 88 S HA 0.347 4.817 4.470 0.000 0.000 0.271 88 S C -1.457 173.093 174.600 -0.082 0.000 1.112 88 S CA -1.056 57.094 58.200 -0.084 0.000 0.828 88 S CB 0.026 63.175 63.200 -0.085 0.000 1.086 88 S HN 0.353 nan 8.310 nan 0.000 0.461 89 N N 1.183 119.763 118.700 -0.201 0.000 2.424 89 N HA 0.436 5.176 4.740 0.000 0.000 0.271 89 N C 0.568 175.905 175.510 -0.287 0.000 0.985 89 N CA -0.767 52.136 53.050 -0.244 0.000 0.921 89 N CB 0.661 38.968 38.487 -0.300 0.000 1.149 89 N HN 0.837 nan 8.380 nan 0.000 0.492 90 W N 2.908 124.080 121.300 -0.215 0.000 2.350 90 W HA -0.170 4.490 4.660 0.000 0.000 0.289 90 W C 1.010 177.487 176.519 -0.071 0.000 1.215 90 W CA 1.138 58.358 57.345 -0.209 0.000 1.236 90 W CB -0.482 28.849 29.460 -0.214 0.000 1.130 90 W HN 0.524 nan 8.180 nan 0.000 0.541 91 Q N 0.330 120.094 119.800 -0.061 0.000 2.170 91 Q HA -0.103 4.237 4.340 0.000 0.000 0.203 91 Q C 2.137 178.071 176.000 -0.110 0.000 0.976 91 Q CA 1.967 57.731 55.803 -0.064 0.000 0.858 91 Q CB -0.500 28.080 28.738 -0.263 0.000 0.907 91 Q HN 0.295 nan 8.270 nan 0.000 0.433 92 M N -0.652 118.824 119.600 -0.205 0.000 2.682 92 M HA -0.013 4.467 4.480 0.000 0.000 0.235 92 M C 0.247 176.581 176.300 0.056 0.000 1.114 92 M CA 1.195 56.398 55.300 -0.160 0.000 1.053 92 M CB -0.374 32.100 32.600 -0.210 0.000 1.599 92 M HN 0.351 nan 8.290 nan 0.000 0.520 93 H N -1.041 118.046 119.070 0.028 0.000 2.784 93 H HA 0.290 4.846 4.556 0.000 0.000 0.273 93 H C 1.286 176.504 175.328 -0.184 0.000 1.112 93 H CA 0.096 56.131 56.048 -0.022 0.000 1.162 93 H CB 0.774 30.618 29.762 0.136 0.000 1.586 93 H HN 0.543 nan 8.280 nan 0.000 0.548 94 G N 0.792 109.604 108.800 0.020 0.000 2.179 94 G HA2 -0.393 3.568 3.960 0.000 0.000 0.260 94 G HA3 -0.393 3.568 3.960 0.000 0.000 0.260 94 G C 0.462 175.256 174.900 -0.177 0.000 0.977 94 G CA 0.602 45.640 45.100 -0.103 0.000 0.641 94 G HN 0.460 nan 8.290 nan 0.000 0.533 95 Y N 1.673 121.966 120.300 -0.012 0.000 2.224 95 Y HA 0.251 4.801 4.550 0.000 0.000 0.289 95 Y C 1.696 177.337 175.900 -0.432 0.000 1.146 95 Y CA 1.518 59.462 58.100 -0.259 0.000 1.182 95 Y CB -0.026 38.267 38.460 -0.278 0.000 0.983 95 Y HN 0.661 nan 8.280 nan 0.000 0.524 96 D N -1.986 118.492 120.400 0.131 0.000 2.643 96 D HA 0.556 5.196 4.640 0.000 0.000 0.283 96 D C -1.131 175.250 176.300 0.135 0.000 1.242 96 D CA -0.885 53.197 54.000 0.137 0.000 0.863 96 D CB 0.939 41.997 40.800 0.430 0.000 1.382 96 D HN 0.034 nan 8.370 nan 0.000 0.444 97 A N -0.062 122.841 122.820 0.139 0.000 2.316 97 A HA 0.704 5.024 4.320 0.000 0.000 0.284 97 A C -2.340 175.254 177.584 0.016 0.000 1.115 97 A CA -1.147 50.933 52.037 0.071 0.000 0.812 97 A CB -0.045 19.059 19.000 0.173 0.000 1.064 97 A HN 0.544 nan 8.150 nan 0.000 0.489 98 P HA 0.500 nan 4.420 nan 0.000 0.276 98 P C -0.836 176.587 177.300 0.205 0.000 1.244 98 P CA 0.012 63.038 63.100 -0.125 0.000 0.801 98 P CB 0.650 32.038 31.700 -0.521 0.000 1.006 99 I N 0.957 121.752 120.570 0.375 0.000 2.533 99 I HA 0.288 4.459 4.170 0.000 0.000 0.290 99 I C -1.032 175.257 176.117 0.288 0.000 1.056 99 I CA -0.920 60.600 61.300 0.367 0.000 1.057 99 I CB 2.182 40.323 38.000 0.236 0.000 1.240 99 I HN 0.311 nan 8.210 nan 0.000 0.423 100 Y N 5.646 125.907 120.300 -0.064 0.000 2.356 100 Y HA 0.563 5.113 4.550 0.000 0.000 0.334 100 Y C -0.644 175.110 175.900 -0.243 0.000 0.958 100 Y CA -0.167 57.648 58.100 -0.475 0.000 1.196 100 Y CB 1.172 38.861 38.460 -1.284 0.000 1.137 100 Y HN 0.623 nan 8.280 nan 0.000 0.485 101 T N 3.777 117.662 114.554 -1.115 0.000 2.903 101 T HA 0.282 4.632 4.350 0.000 0.000 0.299 101 T C 0.009 174.138 174.700 -0.952 0.000 1.093 101 T CA -0.995 60.600 62.100 -0.841 0.000 1.002 101 T CB 2.106 70.722 68.868 -0.421 0.000 1.127 101 T HN 0.764 nan 8.240 nan 0.000 0.488 102 N N 0.370 118.657 118.700 -0.689 0.000 2.433 102 N HA 0.069 4.809 4.740 0.000 0.000 0.213 102 N C 1.367 176.559 175.510 -0.530 0.000 1.032 102 N CA 0.199 52.926 53.050 -0.538 0.000 1.047 102 N CB 0.276 38.484 38.487 -0.465 0.000 1.293 102 N HN 0.286 nan 8.380 nan 0.000 0.524 103 V N 0.939 120.504 119.914 -0.583 0.000 2.326 103 V HA 0.001 4.121 4.120 0.000 0.000 0.238 103 V C 0.452 176.233 176.094 -0.522 0.000 1.038 103 V CA 0.966 62.861 62.300 -0.676 0.000 1.032 103 V CB -0.428 30.982 31.823 -0.689 0.000 0.675 103 V HN 0.380 nan 8.190 nan 0.000 0.467 104 T N 1.512 115.833 114.554 -0.389 0.000 2.704 104 T HA -0.001 4.349 4.350 0.000 0.000 0.271 104 T C -0.349 174.194 174.700 -0.262 0.000 1.000 104 T CA 0.409 62.347 62.100 -0.270 0.000 1.216 104 T CB -0.673 68.082 68.868 -0.188 0.000 0.961 104 T HN 0.185 nan 8.240 nan 0.000 0.515 105 Y N 5.142 125.337 120.300 -0.175 0.000 2.788 105 Y HA 0.077 4.627 4.550 0.000 0.000 0.341 105 Y C -0.937 174.823 175.900 -0.233 0.000 1.258 105 Y CA -1.590 56.388 58.100 -0.204 0.000 1.503 105 Y CB 0.181 38.502 38.460 -0.232 0.000 1.325 105 Y HN 0.508 nan 8.280 nan 0.000 0.614 106 P HA 0.050 nan 4.420 nan 0.000 0.245 106 P C -0.423 176.634 177.300 -0.405 0.000 1.212 106 P CA 0.955 63.932 63.100 -0.205 0.000 0.774 106 P CB -0.006 31.578 31.700 -0.194 0.000 0.999 107 I N -5.705 114.614 120.570 -0.419 0.000 2.969 107 I HA 0.450 4.620 4.170 0.000 0.000 0.307 107 I C -0.818 175.132 176.117 -0.278 0.000 1.149 107 I CA -1.166 59.837 61.300 -0.496 0.000 1.008 107 I CB 1.985 39.490 38.000 -0.824 0.000 1.232 107 I HN -0.468 nan 8.210 nan 0.000 0.435 108 T N 3.184 117.630 114.554 -0.181 0.000 2.905 108 T HA 0.114 4.464 4.350 0.000 0.000 0.299 108 T C 0.316 174.984 174.700 -0.053 0.000 1.024 108 T CA -0.157 61.897 62.100 -0.076 0.000 1.151 108 T CB 0.485 69.337 68.868 -0.027 0.000 0.987 108 T HN 0.381 nan 8.240 nan 0.000 0.535 109 V N 4.955 124.867 119.914 -0.003 0.000 2.381 109 V HA 0.172 4.292 4.120 0.000 0.000 0.257 109 V C 0.787 176.963 176.094 0.138 0.000 1.057 109 V CA -0.040 62.301 62.300 0.068 0.000 1.013 109 V CB -0.163 31.697 31.823 0.062 0.000 1.069 109 V HN 0.817 nan 8.190 nan 0.000 0.484 110 N N 5.867 124.730 118.700 0.273 0.000 2.651 110 N HA 0.256 4.996 4.740 0.000 0.000 0.277 110 N C -2.880 172.757 175.510 0.212 0.000 1.787 110 N CA -1.454 51.741 53.050 0.241 0.000 0.818 110 N CB 1.330 39.979 38.487 0.269 0.000 1.316 110 N HN 0.281 nan 8.380 nan 0.000 0.503 111 P HA 0.121 nan 4.420 nan 0.000 0.262 111 P C -2.288 174.826 177.300 -0.310 0.000 1.182 111 P CA -0.566 62.187 63.100 -0.578 0.000 0.761 111 P CB 0.359 31.584 31.700 -0.792 0.000 0.795 112 P HA 0.259 nan 4.420 nan 0.000 0.248 112 P C -0.632 176.562 177.300 -0.177 0.000 1.708 112 P CA -0.379 62.525 63.100 -0.326 0.000 1.062 112 P CB -0.077 31.434 31.700 -0.315 0.000 1.562 113 F N -0.206 119.843 119.950 0.165 0.000 2.382 113 F HA 0.336 4.863 4.527 0.000 0.000 0.331 113 F C 1.048 177.025 175.800 0.295 0.000 1.121 113 F CA -0.655 57.465 58.000 0.200 0.000 1.183 113 F CB 0.796 39.866 39.000 0.116 0.000 1.207 113 F HN -0.271 nan 8.300 nan 0.000 0.555 114 V N 2.548 122.760 119.914 0.497 0.000 2.914 114 V HA 0.466 4.586 4.120 0.000 0.000 0.314 114 V C -2.134 174.157 176.094 0.328 0.000 1.084 114 V CA -2.123 60.402 62.300 0.374 0.000 0.963 114 V CB 2.291 34.415 31.823 0.502 0.000 1.025 114 V HN 0.538 nan 8.190 nan 0.000 0.432 115 P HA 0.092 nan 4.420 nan 0.000 0.266 115 P C 0.893 178.341 177.300 0.247 0.000 1.195 115 P CA 0.139 63.351 63.100 0.187 0.000 0.768 115 P CB 0.396 32.172 31.700 0.126 0.000 0.838 116 T N -1.279 113.386 114.554 0.185 0.000 2.962 116 T HA -0.121 4.229 4.350 0.000 0.000 0.270 116 T C 0.361 175.160 174.700 0.164 0.000 1.088 116 T CA 0.834 63.040 62.100 0.178 0.000 1.127 116 T CB -0.607 68.334 68.868 0.122 0.000 0.883 116 T HN 0.347 nan 8.240 nan 0.000 0.493 117 E N 2.433 122.738 120.200 0.176 0.000 1.996 117 E HA 0.376 4.726 4.350 0.000 0.000 0.280 117 E C -0.595 176.151 176.600 0.243 0.000 1.092 117 E CA -0.236 56.270 56.400 0.177 0.000 0.862 117 E CB 0.264 30.077 29.700 0.189 0.000 1.066 117 E HN 0.184 nan 8.360 nan 0.000 0.396 118 N N 3.997 122.780 118.700 0.138 0.000 2.716 118 N HA 0.203 4.943 4.740 0.000 0.000 0.253 118 N C -2.717 172.728 175.510 -0.107 0.000 1.170 118 N CA -2.331 50.776 53.050 0.095 0.000 0.807 118 N CB 1.068 39.575 38.487 0.033 0.000 1.183 118 N HN 0.118 nan 8.380 nan 0.000 0.524 119 P HA -0.056 nan 4.420 nan 0.000 0.252 119 P C -0.642 176.479 177.300 -0.299 0.000 1.147 119 P CA 0.640 63.562 63.100 -0.297 0.000 0.779 119 P CB -0.071 31.838 31.700 0.349 0.000 0.733 120 T N 2.975 117.135 114.554 -0.658 0.000 2.779 120 T HA 0.558 4.909 4.350 0.000 0.000 0.280 120 T C 0.566 174.809 174.700 -0.761 0.000 0.987 120 T CA -0.530 61.270 62.100 -0.501 0.000 0.966 120 T CB 1.598 70.194 68.868 -0.454 0.000 0.933 120 T HN 0.323 nan 8.240 nan 0.000 0.442 121 G N 1.129 109.563 108.800 -0.611 0.000 2.437 121 G HA2 0.467 4.427 3.960 0.000 0.000 0.315 121 G HA3 0.467 4.427 3.960 0.000 0.000 0.315 121 G C -0.155 174.525 174.900 -0.366 0.000 1.210 121 G CA -0.526 44.143 45.100 -0.717 0.000 0.943 121 G HN 0.911 nan 8.290 nan 0.000 0.471 122 C N 3.716 122.582 119.300 -0.724 0.000 2.168 122 C HA 0.401 4.861 4.460 0.000 0.000 0.333 122 C C -0.225 174.669 174.990 -0.160 0.000 1.106 122 C CA -1.364 57.303 59.018 -0.583 0.000 1.574 122 C CB -2.127 24.745 27.740 -1.446 0.000 2.055 122 C HN 0.584 nan 8.230 nan 0.000 0.473 123 Y N 1.650 122.115 120.300 0.276 0.000 2.316 123 Y HA 0.574 5.124 4.550 0.000 0.000 0.324 123 Y C 0.978 177.306 175.900 0.714 0.000 1.267 123 Y CA -0.237 58.188 58.100 0.542 0.000 1.311 123 Y CB 0.907 39.693 38.460 0.543 0.000 1.267 123 Y HN 0.669 nan 8.280 nan 0.000 0.516 124 S N 1.797 117.996 115.700 0.833 0.000 2.550 124 S HA 0.762 5.232 4.470 0.000 0.000 0.270 124 S C -1.842 172.877 174.600 0.198 0.000 1.145 124 S CA -0.833 57.654 58.200 0.478 0.000 0.852 124 S CB 2.295 65.688 63.200 0.322 0.000 1.119 124 S HN 0.553 nan 8.310 nan 0.000 0.465 125 L N 0.613 121.780 121.223 -0.093 0.000 2.505 125 L HA 0.767 5.107 4.340 0.000 0.000 0.259 125 L C -1.320 175.506 176.870 -0.072 0.000 0.952 125 L CA 0.177 54.777 54.840 -0.400 0.000 0.840 125 L CB 2.265 43.550 42.059 -1.290 0.000 1.358 125 L HN 0.827 nan 8.230 nan 0.000 0.409 126 T N 4.613 119.155 114.554 -0.021 0.000 2.823 126 T HA 0.855 5.205 4.350 0.000 0.000 0.279 126 T C -1.104 173.718 174.700 0.203 0.000 0.998 126 T CA -0.051 62.098 62.100 0.082 0.000 0.994 126 T CB 0.864 69.729 68.868 -0.005 0.000 0.960 126 T HN 0.522 nan 8.240 nan 0.000 0.448 127 F N 0.531 120.409 119.950 -0.120 0.000 2.779 127 F HA 0.710 5.237 4.527 0.000 0.000 0.316 127 F C -1.450 174.300 175.800 -0.083 0.000 1.164 127 F CA -1.618 56.316 58.000 -0.110 0.000 0.924 127 F CB 1.135 40.056 39.000 -0.131 0.000 1.348 127 F HN 0.346 nan 8.300 nan 0.000 0.467 128 N N 0.188 118.861 118.700 -0.045 0.000 2.354 128 N HA 0.680 5.420 4.740 0.000 0.000 0.287 128 N C -1.707 173.743 175.510 -0.099 0.000 1.016 128 N CA -0.648 52.320 53.050 -0.137 0.000 0.871 128 N CB 2.269 40.700 38.487 -0.093 0.000 1.299 128 N HN 0.625 nan 8.380 nan 0.000 0.482 129 V N 1.031 120.857 119.914 -0.146 0.000 2.472 129 V HA 0.291 4.412 4.120 0.000 0.000 0.290 129 V C 0.067 176.065 176.094 -0.160 0.000 1.037 129 V CA -0.903 61.321 62.300 -0.128 0.000 0.908 129 V CB 1.435 33.251 31.823 -0.011 0.000 0.985 129 V HN 0.616 nan 8.190 nan 0.000 0.454 130 D N 2.996 123.221 120.400 -0.293 0.000 2.383 130 D HA 0.053 4.693 4.640 0.000 0.000 0.252 130 D C 1.309 177.566 176.300 -0.072 0.000 1.166 130 D CA -0.071 53.796 54.000 -0.221 0.000 0.879 130 D CB 1.350 41.943 40.800 -0.346 0.000 1.164 130 D HN 0.775 nan 8.370 nan 0.000 0.462 131 E N 2.072 122.252 120.200 -0.033 0.000 2.108 131 E HA -0.350 4.000 4.350 0.000 0.000 0.203 131 E C 1.842 178.482 176.600 0.067 0.000 1.022 131 E CA 2.035 58.447 56.400 0.020 0.000 0.823 131 E CB -0.566 29.138 29.700 0.007 0.000 0.744 131 E HN 0.545 nan 8.360 nan 0.000 0.456 132 S N 0.812 116.548 115.700 0.059 0.000 2.380 132 S HA -0.292 4.178 4.470 0.000 0.000 0.229 132 S C 1.695 176.401 174.600 0.177 0.000 1.050 132 S CA 1.384 59.650 58.200 0.109 0.000 1.100 132 S CB -1.277 61.987 63.200 0.108 0.000 0.984 132 S HN 0.490 nan 8.310 nan 0.000 0.434 133 W N 1.790 122.965 121.300 -0.207 0.000 2.361 133 W HA 0.095 4.755 4.660 0.000 0.000 0.270 133 W C 2.066 178.612 176.519 0.044 0.000 1.210 133 W CA 0.259 57.393 57.345 -0.352 0.000 1.174 133 W CB -0.611 28.682 29.460 -0.279 0.000 1.131 133 W HN 0.338 nan 8.180 nan 0.000 0.575 134 L N -1.494 119.878 121.223 0.248 0.000 2.463 134 L HA 0.020 4.360 4.340 0.000 0.000 0.219 134 L C 2.109 179.059 176.870 0.132 0.000 1.088 134 L CA 0.487 55.436 54.840 0.181 0.000 0.849 134 L CB -0.802 41.334 42.059 0.128 0.000 1.012 134 L HN -0.050 nan 8.230 nan 0.000 0.468 135 Q N 0.638 120.512 119.800 0.124 0.000 1.993 135 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 135 Q C 0.258 176.314 176.000 0.094 0.000 0.984 135 Q CA 1.358 57.216 55.803 0.092 0.000 0.837 135 Q CB 0.357 29.145 28.738 0.084 0.000 0.902 135 Q HN 0.510 nan 8.270 nan 0.000 0.423 136 E N -1.818 118.463 120.200 0.134 0.000 2.355 136 E HA 0.530 4.880 4.350 0.000 0.000 0.261 136 E C 0.137 176.807 176.600 0.118 0.000 0.943 136 E CA -0.491 55.973 56.400 0.108 0.000 0.806 136 E CB 1.299 31.059 29.700 0.099 0.000 1.286 136 E HN 0.288 nan 8.360 nan 0.000 0.424 137 G N 1.139 109.911 108.800 -0.046 0.000 2.598 137 G HA2 -0.310 3.650 3.960 0.000 0.000 0.269 137 G HA3 -0.310 3.650 3.960 0.000 0.000 0.269 137 G C -0.507 174.249 174.900 -0.240 0.000 1.289 137 G CA 0.490 45.434 45.100 -0.259 0.000 0.926 137 G HN 0.734 nan 8.290 nan 0.000 0.567 138 Q N -1.165 118.397 119.800 -0.397 0.000 2.375 138 Q HA 0.699 5.039 4.340 0.000 0.000 0.271 138 Q C -1.139 174.723 176.000 -0.229 0.000 1.074 138 Q CA -0.591 55.087 55.803 -0.210 0.000 0.808 138 Q CB 2.060 30.721 28.738 -0.128 0.000 1.327 138 Q HN 0.550 nan 8.270 nan 0.000 0.441 139 T N 3.765 118.303 114.554 -0.026 0.000 2.772 139 T HA 0.491 4.841 4.350 0.000 0.000 0.288 139 T C -0.695 174.061 174.700 0.094 0.000 0.994 139 T CA -0.695 61.434 62.100 0.049 0.000 0.951 139 T CB 0.690 69.693 68.868 0.225 0.000 0.933 139 T HN 0.670 nan 8.240 nan 0.000 0.447 140 R N 3.439 123.977 120.500 0.063 0.000 2.803 140 R HA 0.744 5.084 4.340 0.000 0.000 0.276 140 R C -1.281 175.083 176.300 0.108 0.000 0.978 140 R CA -0.912 55.249 56.100 0.102 0.000 0.939 140 R CB 1.518 31.865 30.300 0.079 0.000 1.179 140 R HN 0.572 nan 8.270 nan 0.000 0.472 141 I N 4.063 124.710 120.570 0.127 0.000 2.441 141 I HA 0.412 4.582 4.170 0.000 0.000 0.295 141 I C -1.049 175.084 176.117 0.027 0.000 0.994 141 I CA -1.344 59.979 61.300 0.038 0.000 1.144 141 I CB 1.495 39.497 38.000 0.004 0.000 1.314 141 I HN 0.668 nan 8.210 nan 0.000 0.445 142 I N 7.416 127.910 120.570 -0.126 0.000 2.439 142 I HA 0.262 4.433 4.170 0.000 0.000 0.283 142 I C -1.168 174.807 176.117 -0.237 0.000 1.023 142 I CA -0.442 60.806 61.300 -0.086 0.000 1.100 142 I CB 1.268 39.244 38.000 -0.040 0.000 1.238 142 I HN 0.349 nan 8.210 nan 0.000 0.445 143 F N 4.361 124.338 119.950 0.046 0.000 2.404 143 F HA 0.217 4.744 4.527 0.000 0.000 0.358 143 F C 1.403 177.128 175.800 -0.126 0.000 1.120 143 F CA -0.192 57.766 58.000 -0.071 0.000 1.144 143 F CB 0.694 39.630 39.000 -0.106 0.000 1.133 143 F HN 0.461 nan 8.300 nan 0.000 0.495 144 D N 2.297 122.666 120.400 -0.052 0.000 2.340 144 D HA 0.187 4.827 4.640 0.000 0.000 0.220 144 D C 0.613 176.768 176.300 -0.242 0.000 1.039 144 D CA 0.507 54.425 54.000 -0.136 0.000 0.866 144 D CB 0.548 41.246 40.800 -0.169 0.000 0.913 144 D HN 0.693 nan 8.370 nan 0.000 0.523 145 G N -0.421 108.181 108.800 -0.330 0.000 2.219 145 G HA2 0.345 4.305 3.960 0.000 0.000 0.304 145 G HA3 0.345 4.305 3.960 0.000 0.000 0.304 145 G C -1.607 172.915 174.900 -0.629 0.000 1.712 145 G CA -0.542 44.186 45.100 -0.619 0.000 0.905 145 G HN -0.058 nan 8.290 nan 0.000 0.706 146 V N 2.656 122.396 119.914 -0.291 0.000 2.655 146 V HA 0.568 4.688 4.120 0.000 0.000 0.301 146 V C -0.992 175.140 176.094 0.063 0.000 1.082 146 V CA -1.133 61.031 62.300 -0.226 0.000 0.899 146 V CB 2.030 33.454 31.823 -0.665 0.000 1.014 146 V HN 0.813 nan 8.190 nan 0.000 0.429 147 N N 2.349 121.140 118.700 0.151 0.000 2.407 147 N HA 0.380 5.120 4.740 0.000 0.000 0.277 147 N C 0.524 176.013 175.510 -0.035 0.000 0.995 147 N CA 0.174 53.275 53.050 0.085 0.000 0.903 147 N CB 2.401 40.891 38.487 0.006 0.000 1.218 147 N HN 0.657 nan 8.380 nan 0.000 0.487 148 S N 1.860 117.556 115.700 -0.006 0.000 2.540 148 S HA 0.597 5.067 4.470 0.000 0.000 0.222 148 S C 0.256 174.925 174.600 0.115 0.000 1.008 148 S CA 0.137 58.377 58.200 0.068 0.000 0.939 148 S CB 0.249 63.503 63.200 0.089 0.000 0.865 148 S HN 0.728 nan 8.310 nan 0.000 0.499 149 A N 0.822 123.720 122.820 0.129 0.000 2.601 149 A HA 0.757 5.077 4.320 0.000 0.000 0.291 149 A C -1.562 176.159 177.584 0.227 0.000 1.075 149 A CA -0.851 51.250 52.037 0.106 0.000 0.671 149 A CB 0.786 19.840 19.000 0.091 0.000 1.277 149 A HN 1.224 nan 8.150 nan 0.000 0.417 150 F N -0.850 118.910 119.950 -0.316 0.000 2.725 150 F HA 0.636 5.163 4.527 0.000 0.000 0.311 150 F C -1.235 174.516 175.800 -0.081 0.000 1.121 150 F CA -0.827 57.094 58.000 -0.132 0.000 0.978 150 F CB 0.575 39.490 39.000 -0.141 0.000 1.274 150 F HN 0.658 nan 8.300 nan 0.000 0.440 151 H N 2.305 121.577 119.070 0.338 0.000 2.505 151 H HA 0.766 5.322 4.556 0.000 0.000 0.351 151 H C -1.037 174.396 175.328 0.175 0.000 1.151 151 H CA -0.347 55.869 56.048 0.279 0.000 1.339 151 H CB 2.171 32.132 29.762 0.331 0.000 1.483 151 H HN 0.828 nan 8.280 nan 0.000 0.558 152 L N 2.670 123.862 121.223 -0.051 0.000 2.431 152 L HA 0.405 4.745 4.340 0.000 0.000 0.266 152 L C -1.813 174.896 176.870 -0.269 0.000 0.978 152 L CA -0.636 54.187 54.840 -0.027 0.000 0.822 152 L CB 1.684 43.621 42.059 -0.203 0.000 1.310 152 L HN 0.532 nan 8.230 nan 0.000 0.409 153 W N 4.117 125.409 121.300 -0.013 0.000 2.844 153 W HA 0.660 5.320 4.660 0.000 0.000 0.340 153 W C -1.135 175.309 176.519 -0.125 0.000 1.093 153 W CA -0.833 56.464 57.345 -0.080 0.000 1.212 153 W CB 2.172 31.617 29.460 -0.025 0.000 1.422 153 W HN 0.699 nan 8.180 nan 0.000 0.515 154 C N 4.052 123.393 119.300 0.068 0.000 2.609 154 C HA 0.282 4.742 4.460 0.000 0.000 0.313 154 C C 0.553 175.615 174.990 0.121 0.000 1.175 154 C CA -0.403 58.630 59.018 0.024 0.000 1.434 154 C CB 0.113 27.772 27.740 -0.136 0.000 2.005 154 C HN 0.856 nan 8.230 nan 0.000 0.471 155 N N 3.360 122.114 118.700 0.090 0.000 2.677 155 N HA -0.234 4.506 4.740 0.000 0.000 0.249 155 N C 1.017 176.583 175.510 0.093 0.000 1.073 155 N CA 1.838 54.930 53.050 0.070 0.000 0.737 155 N CB -1.208 37.311 38.487 0.054 0.000 0.999 155 N HN 1.718 nan 8.380 nan 0.000 0.543 156 G N -0.895 107.967 108.800 0.103 0.000 2.284 156 G HA2 -0.291 3.670 3.960 0.000 0.000 0.216 156 G HA3 -0.291 3.670 3.960 0.000 0.000 0.216 156 G C 0.075 175.156 174.900 0.301 0.000 1.009 156 G CA 0.091 45.261 45.100 0.116 0.000 0.625 156 G HN 0.451 nan 8.290 nan 0.000 0.501 157 R N -0.211 120.498 120.500 0.348 0.000 2.229 157 R HA 0.413 4.753 4.340 0.000 0.000 0.328 157 R C 0.039 176.524 176.300 0.309 0.000 1.009 157 R CA -0.849 55.498 56.100 0.412 0.000 0.864 157 R CB 0.662 31.247 30.300 0.475 0.000 1.085 157 R HN 0.275 nan 8.270 nan 0.000 0.453 158 W N 4.092 125.415 121.300 0.038 0.000 2.409 158 W HA -0.070 4.590 4.660 0.000 0.000 0.338 158 W C 0.015 176.359 176.519 -0.292 0.000 1.273 158 W CA 0.354 57.394 57.345 -0.509 0.000 1.299 158 W CB 0.555 29.752 29.460 -0.439 0.000 1.192 158 W HN 0.364 nan 8.180 nan 0.000 0.565 159 V N 5.724 124.761 119.914 -1.462 0.000 3.612 159 V HA 0.499 4.619 4.120 0.000 0.000 0.268 159 V C 1.043 176.272 176.094 -1.441 0.000 1.365 159 V CA 0.732 62.283 62.300 -1.250 0.000 1.044 159 V CB -0.362 30.802 31.823 -1.098 0.000 0.820 159 V HN 1.005 nan 8.190 nan 0.000 0.444 160 G N -0.751 106.824 108.800 -2.042 0.000 2.362 160 G HA2 0.294 4.255 3.960 0.000 0.000 0.288 160 G HA3 0.294 4.255 3.960 0.000 0.000 0.288 160 G C -2.009 172.683 174.900 -0.346 0.000 1.305 160 G CA -0.026 44.434 45.100 -1.067 0.000 0.910 160 G HN 0.211 nan 8.290 nan 0.000 0.518 161 Y N -0.608 119.624 120.300 -0.114 0.000 2.656 161 Y HA 0.697 5.247 4.550 0.000 0.000 0.334 161 Y C -0.186 175.579 175.900 -0.225 0.000 1.179 161 Y CA 0.167 58.105 58.100 -0.270 0.000 1.050 161 Y CB 1.701 40.130 38.460 -0.053 0.000 1.308 161 Y HN 1.775 nan 8.280 nan 0.000 0.456 162 G N 2.765 110.712 108.800 -1.422 0.000 2.720 162 G HA2 0.559 4.519 3.960 0.000 0.000 0.295 162 G HA3 0.559 4.519 3.960 0.000 0.000 0.295 162 G C -2.292 172.205 174.900 -0.672 0.000 1.437 162 G CA -0.905 43.722 45.100 -0.788 0.000 0.886 162 G HN 0.657 nan 8.290 nan 0.000 0.509 163 Q N -0.241 119.407 119.800 -0.254 0.000 2.552 163 Q HA 0.602 4.943 4.340 0.000 0.000 0.289 163 Q C -1.277 174.742 176.000 0.032 0.000 1.097 163 Q CA -0.804 54.959 55.803 -0.067 0.000 0.812 163 Q CB 2.575 31.319 28.738 0.010 0.000 1.460 163 Q HN 0.643 nan 8.270 nan 0.000 0.452 164 D N -0.171 120.279 120.400 0.084 0.000 4.260 164 D HA -0.098 4.542 4.640 0.000 0.000 0.245 164 D C -0.306 176.065 176.300 0.118 0.000 1.060 164 D CA 0.615 54.677 54.000 0.104 0.000 1.146 164 D CB -0.726 40.121 40.800 0.077 0.000 0.837 164 D HN 0.569 nan 8.370 nan 0.000 0.390 165 S N 2.286 118.073 115.700 0.146 0.000 2.465 165 S HA -0.176 4.294 4.470 0.000 0.000 0.241 165 S C 1.680 176.420 174.600 0.233 0.000 1.000 165 S CA 1.063 59.383 58.200 0.200 0.000 0.964 165 S CB 0.180 63.496 63.200 0.193 0.000 0.763 165 S HN 0.451 nan 8.310 nan 0.000 0.512 166 R N -0.145 120.456 120.500 0.168 0.000 2.365 166 R HA 0.465 4.806 4.340 0.000 0.000 0.223 166 R C -0.222 176.144 176.300 0.110 0.000 0.899 166 R CA 0.163 56.360 56.100 0.162 0.000 1.059 166 R CB 0.142 30.569 30.300 0.213 0.000 1.086 166 R HN 0.324 nan 8.270 nan 0.000 0.522 167 L N 0.411 121.674 121.223 0.066 0.000 2.323 167 L HA 0.583 4.923 4.340 0.000 0.000 0.265 167 L C -2.287 174.576 176.870 -0.012 0.000 1.012 167 L CA -2.603 52.250 54.840 0.022 0.000 0.820 167 L CB 1.944 44.010 42.059 0.012 0.000 1.334 167 L HN -0.171 nan 8.230 nan 0.000 0.427 168 P HA 0.124 nan 4.420 nan 0.000 0.269 168 P C -1.055 176.231 177.300 -0.023 0.000 1.209 168 P CA -0.225 62.849 63.100 -0.043 0.000 0.776 168 P CB 0.789 32.425 31.700 -0.106 0.000 0.876 169 S N 1.399 117.136 115.700 0.061 0.000 2.596 169 S HA 0.288 4.759 4.470 0.000 0.000 0.318 169 S C -0.503 174.106 174.600 0.015 0.000 1.097 169 S CA -0.690 57.531 58.200 0.035 0.000 1.080 169 S CB 0.706 64.072 63.200 0.277 0.000 0.991 169 S HN 0.358 nan 8.310 nan 0.000 0.471 170 E N 2.282 122.347 120.200 -0.225 0.000 2.207 170 E HA 0.657 5.007 4.350 0.000 0.000 0.270 170 E C -1.273 175.040 176.600 -0.478 0.000 0.927 170 E CA -0.694 55.621 56.400 -0.142 0.000 0.799 170 E CB 1.523 31.224 29.700 0.003 0.000 1.172 170 E HN 0.399 nan 8.360 nan 0.000 0.404 171 F N 0.126 120.142 119.950 0.111 0.000 2.599 171 F HA 0.232 4.759 4.527 0.000 0.000 0.311 171 F C -0.079 175.759 175.800 0.065 0.000 1.076 171 F CA -1.108 56.933 58.000 0.068 0.000 0.937 171 F CB 1.710 40.735 39.000 0.041 0.000 1.282 171 F HN 0.282 nan 8.300 nan 0.000 0.460 172 D N 2.130 122.690 120.400 0.267 0.000 2.280 172 D HA 0.330 4.970 4.640 0.000 0.000 0.243 172 D C 0.324 176.780 176.300 0.260 0.000 1.129 172 D CA 0.150 54.273 54.000 0.205 0.000 0.848 172 D CB 1.328 42.223 40.800 0.159 0.000 1.107 172 D HN 0.549 nan 8.370 nan 0.000 0.471 173 L N 2.335 123.707 121.223 0.248 0.000 2.590 173 L HA -0.014 4.326 4.340 0.000 0.000 0.227 173 L C 2.277 179.404 176.870 0.427 0.000 1.099 173 L CA -0.134 54.902 54.840 0.326 0.000 0.872 173 L CB -0.017 42.180 42.059 0.230 0.000 1.088 173 L HN 0.290 nan 8.230 nan 0.000 0.479 174 S N 1.691 117.551 115.700 0.267 0.000 2.425 174 S HA -0.363 4.107 4.470 0.000 0.000 0.256 174 S C 1.786 176.474 174.600 0.147 0.000 1.101 174 S CA 2.104 60.412 58.200 0.180 0.000 1.188 174 S CB -0.473 62.787 63.200 0.099 0.000 1.085 174 S HN 0.551 nan 8.310 nan 0.000 0.439 175 A N -0.659 122.215 122.820 0.090 0.000 2.359 175 A HA 0.478 4.798 4.320 0.000 0.000 0.240 175 A C 0.766 178.182 177.584 -0.280 0.000 1.306 175 A CA 0.008 51.971 52.037 -0.123 0.000 0.898 175 A CB -0.543 18.298 19.000 -0.264 0.000 0.956 175 A HN 0.467 nan 8.150 nan 0.000 0.497 176 F N -1.237 118.742 119.950 0.047 0.000 2.831 176 F HA 0.339 4.866 4.527 0.000 0.000 0.334 176 F C 0.644 176.465 175.800 0.035 0.000 1.071 176 F CA -0.541 57.483 58.000 0.041 0.000 1.172 176 F CB 0.043 39.070 39.000 0.045 0.000 1.054 176 F HN -0.014 nan 8.300 nan 0.000 0.572 177 L N 1.629 122.999 121.223 0.246 0.000 2.464 177 L HA 0.411 4.751 4.340 0.000 0.000 0.264 177 L C 0.140 177.051 176.870 0.068 0.000 1.199 177 L CA -0.149 54.773 54.840 0.136 0.000 0.818 177 L CB 0.695 42.850 42.059 0.160 0.000 1.102 177 L HN 0.097 nan 8.230 nan 0.000 0.473 178 R N 0.616 121.122 120.500 0.010 0.000 2.922 178 R HA 0.768 5.108 4.340 0.000 0.000 0.256 178 R C -1.031 175.254 176.300 -0.027 0.000 1.138 178 R CA -0.957 55.138 56.100 -0.008 0.000 0.995 178 R CB 1.229 31.512 30.300 -0.028 0.000 1.226 178 R HN 0.632 nan 8.270 nan 0.000 0.481 179 A N 0.368 123.172 122.820 -0.026 0.000 2.316 179 A HA 0.678 4.998 4.320 0.000 0.000 0.284 179 A C 0.710 178.254 177.584 -0.066 0.000 1.115 179 A CA 0.514 52.529 52.037 -0.036 0.000 0.812 179 A CB 0.098 19.086 19.000 -0.020 0.000 1.064 179 A HN 0.938 nan 8.150 nan 0.000 0.489 180 G N 0.762 109.510 108.800 -0.086 0.000 2.520 180 G HA2 -0.171 3.790 3.960 0.000 0.000 0.248 180 G HA3 -0.171 3.790 3.960 0.000 0.000 0.248 180 G C -0.005 174.798 174.900 -0.163 0.000 1.161 180 G CA 0.169 45.207 45.100 -0.103 0.000 0.946 180 G HN 0.971 nan 8.290 nan 0.000 0.565 181 E N 1.703 121.810 120.200 -0.155 0.000 2.344 181 E HA 0.361 4.711 4.350 0.000 0.000 0.270 181 E C -0.225 176.208 176.600 -0.279 0.000 1.021 181 E CA -0.072 56.206 56.400 -0.203 0.000 0.887 181 E CB 0.258 29.880 29.700 -0.129 0.000 0.997 181 E HN 0.404 nan 8.360 nan 0.000 0.429 182 N N 2.691 121.108 118.700 -0.473 0.000 2.277 182 N HA 0.323 5.063 4.740 0.000 0.000 0.286 182 N C -1.122 174.121 175.510 -0.445 0.000 1.140 182 N CA -0.614 52.114 53.050 -0.538 0.000 0.799 182 N CB 2.435 40.407 38.487 -0.859 0.000 1.596 182 N HN 0.352 nan 8.380 nan 0.000 0.473 183 R N 1.872 122.277 120.500 -0.158 0.000 2.628 183 R HA 0.529 4.869 4.340 0.000 0.000 0.288 183 R C -1.386 174.981 176.300 0.112 0.000 0.980 183 R CA -0.507 55.601 56.100 0.014 0.000 0.891 183 R CB 1.316 31.586 30.300 -0.050 0.000 1.188 183 R HN 0.482 nan 8.270 nan 0.000 0.450 184 L N 2.621 123.959 121.223 0.193 0.000 2.322 184 L HA 0.678 5.018 4.340 0.000 0.000 0.279 184 L C -0.334 176.608 176.870 0.120 0.000 1.036 184 L CA -0.720 54.234 54.840 0.190 0.000 0.807 184 L CB 2.049 44.245 42.059 0.228 0.000 1.226 184 L HN 0.800 nan 8.230 nan 0.000 0.433 185 A N 3.353 126.246 122.820 0.121 0.000 2.646 185 A HA 0.590 4.910 4.320 0.000 0.000 0.312 185 A C -0.833 177.050 177.584 0.498 0.000 1.245 185 A CA -0.414 51.618 52.037 -0.009 0.000 0.755 185 A CB 0.665 19.088 19.000 -0.962 0.000 1.132 185 A HN 0.354 nan 8.150 nan 0.000 0.458 186 V N 3.386 123.709 119.914 0.680 0.000 2.432 186 V HA 0.347 4.468 4.120 0.000 0.000 0.271 186 V C 0.348 176.880 176.094 0.730 0.000 1.046 186 V CA 0.017 62.696 62.300 0.631 0.000 0.945 186 V CB 1.062 33.117 31.823 0.387 0.000 0.992 186 V HN 0.903 nan 8.190 nan 0.000 0.471 187 M N 7.216 127.249 119.600 0.721 0.000 2.066 187 M HA 0.552 5.032 4.480 0.000 0.000 0.340 187 M C -1.261 175.251 176.300 0.353 0.000 1.053 187 M CA -0.285 55.290 55.300 0.459 0.000 0.983 187 M CB 1.144 34.028 32.600 0.474 0.000 1.520 187 M HN 0.405 nan 8.290 nan 0.000 0.428 188 V N 6.154 126.226 119.914 0.263 0.000 2.439 188 V HA 0.431 4.551 4.120 0.000 0.000 0.282 188 V C 0.231 176.443 176.094 0.196 0.000 1.039 188 V CA -0.743 61.708 62.300 0.252 0.000 0.913 188 V CB 1.143 33.134 31.823 0.281 0.000 0.983 188 V HN 0.812 nan 8.190 nan 0.000 0.460 189 L N 4.050 125.344 121.223 0.119 0.000 2.352 189 L HA 0.569 4.909 4.340 0.000 0.000 0.269 189 L C 1.268 178.120 176.870 -0.031 0.000 1.034 189 L CA -0.501 54.332 54.840 -0.011 0.000 0.806 189 L CB 1.934 43.919 42.059 -0.123 0.000 1.244 189 L HN 0.683 nan 8.230 nan 0.000 0.447 190 R N 1.022 121.411 120.500 -0.185 0.000 2.072 190 R HA 0.082 4.423 4.340 0.000 0.000 0.214 190 R C -0.564 175.388 176.300 -0.581 0.000 1.168 190 R CA 0.554 56.325 56.100 -0.549 0.000 1.020 190 R CB 0.319 30.112 30.300 -0.845 0.000 0.914 190 R HN 0.539 nan 8.270 nan 0.000 0.449 191 W N 1.337 122.684 121.300 0.078 0.000 2.391 191 W HA 0.372 5.032 4.660 0.000 0.000 0.311 191 W C -0.054 176.582 176.519 0.195 0.000 1.087 191 W CA -0.761 56.649 57.345 0.109 0.000 1.209 191 W CB 1.434 30.955 29.460 0.101 0.000 1.273 191 W HN 0.016 nan 8.180 nan 0.000 0.482 192 S N -0.253 115.732 115.700 0.476 0.000 2.661 192 S HA 0.299 4.769 4.470 0.000 0.000 0.285 192 S C 0.359 175.236 174.600 0.463 0.000 1.138 192 S CA -0.590 57.910 58.200 0.499 0.000 0.855 192 S CB 1.476 64.915 63.200 0.397 0.000 1.136 192 S HN 0.590 nan 8.310 nan 0.000 0.484 193 D N 0.696 121.353 120.400 0.429 0.000 2.263 193 D HA 0.043 4.683 4.640 0.000 0.000 0.208 193 D C 1.666 178.270 176.300 0.506 0.000 0.971 193 D CA 1.189 55.459 54.000 0.450 0.000 0.867 193 D CB -0.677 40.246 40.800 0.205 0.000 0.929 193 D HN 0.700 nan 8.370 nan 0.000 0.492 194 G N -0.321 108.708 108.800 0.380 0.000 2.679 194 G HA2 -0.157 3.803 3.960 0.000 0.000 0.212 194 G HA3 -0.157 3.803 3.960 0.000 0.000 0.212 194 G C 1.562 176.668 174.900 0.343 0.000 1.137 194 G CA 0.321 45.627 45.100 0.343 0.000 0.787 194 G HN 0.264 nan 8.290 nan 0.000 0.534 195 S N -0.272 115.635 115.700 0.345 0.000 2.406 195 S HA -0.022 4.448 4.470 0.000 0.000 0.228 195 S C 1.773 176.519 174.600 0.244 0.000 1.020 195 S CA 0.339 58.705 58.200 0.277 0.000 0.965 195 S CB -0.293 63.081 63.200 0.290 0.000 0.798 195 S HN 0.546 nan 8.310 nan 0.000 0.488 196 Y N 1.115 121.511 120.300 0.159 0.000 2.574 196 Y HA 0.098 4.648 4.550 0.000 0.000 0.294 196 Y C 1.291 177.288 175.900 0.162 0.000 1.142 196 Y CA 0.554 58.665 58.100 0.018 0.000 1.314 196 Y CB -0.281 38.054 38.460 -0.209 0.000 0.991 196 Y HN 0.193 nan 8.280 nan 0.000 0.555 197 L N -0.247 121.189 121.223 0.355 0.000 2.910 197 L HA 0.202 4.542 4.340 0.000 0.000 0.252 197 L C -0.085 176.940 176.870 0.258 0.000 1.195 197 L CA 0.234 55.237 54.840 0.271 0.000 1.003 197 L CB 0.144 42.351 42.059 0.247 0.000 1.328 197 L HN 0.104 nan 8.230 nan 0.000 0.540 198 E N -0.235 120.134 120.200 0.280 0.000 3.846 198 E HA 0.072 4.422 4.350 0.000 0.000 0.216 198 E C -0.548 176.173 176.600 0.200 0.000 1.092 198 E CA -0.074 56.469 56.400 0.239 0.000 1.370 198 E CB 0.540 30.369 29.700 0.215 0.000 1.227 198 E HN 0.027 nan 8.360 nan 0.000 0.442 199 D N 1.245 121.734 120.400 0.147 0.000 2.706 199 D HA 0.026 4.666 4.640 0.000 0.000 0.236 199 D C -0.288 176.012 176.300 -0.001 0.000 1.231 199 D CA -0.188 53.792 54.000 -0.035 0.000 0.828 199 D CB 0.170 40.736 40.800 -0.390 0.000 1.015 199 D HN 0.040 nan 8.370 nan 0.000 0.484 200 Q N 0.604 120.488 119.800 0.140 0.000 2.330 200 Q HA 0.090 4.430 4.340 0.000 0.000 0.279 200 Q C -0.309 175.759 176.000 0.113 0.000 1.024 200 Q CA 0.156 56.100 55.803 0.236 0.000 0.900 200 Q CB 0.672 29.658 28.738 0.413 0.000 1.221 200 Q HN 0.168 nan 8.270 nan 0.000 0.396 201 D N 3.421 123.882 120.400 0.102 0.000 2.356 201 D HA 0.212 4.852 4.640 0.000 0.000 0.272 201 D C -0.481 175.854 176.300 0.059 0.000 1.337 201 D CA 0.337 54.325 54.000 -0.019 0.000 0.970 201 D CB -0.194 40.620 40.800 0.024 0.000 1.092 201 D HN 0.473 nan 8.370 nan 0.000 0.516 202 M N 1.268 120.831 119.600 -0.061 0.000 3.277 202 M HA 0.277 4.757 4.480 0.000 0.000 0.282 202 M C -1.638 174.664 176.300 0.004 0.000 1.009 202 M CA -1.130 54.163 55.300 -0.011 0.000 0.822 202 M CB 0.736 33.260 32.600 -0.126 0.000 1.620 202 M HN 0.036 nan 8.290 nan 0.000 0.557 203 W N 2.231 123.581 121.300 0.085 0.000 2.303 203 W HA 0.400 5.060 4.660 0.000 0.000 0.318 203 W C 0.230 176.728 176.519 -0.035 0.000 1.362 203 W CA 0.007 57.393 57.345 0.069 0.000 1.234 203 W CB 0.384 29.861 29.460 0.029 0.000 1.248 203 W HN 0.298 nan 8.180 nan 0.000 0.546 204 R N 4.959 125.585 120.500 0.209 0.000 2.441 204 R HA 0.213 4.554 4.340 0.000 0.000 0.300 204 R C 0.037 176.350 176.300 0.023 0.000 1.284 204 R CA 0.082 56.253 56.100 0.118 0.000 1.069 204 R CB -0.761 29.656 30.300 0.196 0.000 1.087 204 R HN 0.555 nan 8.270 nan 0.000 0.519 205 M N -0.050 119.476 119.600 -0.122 0.000 2.734 205 M HA 0.445 4.925 4.480 0.000 0.000 0.264 205 M C 0.450 176.464 176.300 -0.476 0.000 1.080 205 M CA -0.604 54.514 55.300 -0.304 0.000 0.981 205 M CB 1.514 33.921 32.600 -0.320 0.000 1.514 205 M HN 0.564 nan 8.290 nan 0.000 0.569 206 S N -1.396 113.907 115.700 -0.662 0.000 2.636 206 S HA 0.856 5.326 4.470 0.000 0.000 0.266 206 S C -0.551 173.656 174.600 -0.656 0.000 1.147 206 S CA -0.132 57.615 58.200 -0.754 0.000 0.815 206 S CB 1.283 63.927 63.200 -0.927 0.000 1.119 206 S HN 1.518 nan 8.310 nan 0.000 0.470 207 G N 0.364 108.979 108.800 -0.309 0.000 2.526 207 G HA2 0.020 3.980 3.960 0.000 0.000 0.250 207 G HA3 0.020 3.980 3.960 0.000 0.000 0.250 207 G C -0.872 174.025 174.900 -0.004 0.000 1.289 207 G CA -0.478 44.684 45.100 0.104 0.000 0.947 207 G HN 1.442 nan 8.290 nan 0.000 0.517 208 I N 2.016 122.446 120.570 -0.233 0.000 2.241 208 I HA 0.273 4.443 4.170 0.000 0.000 0.294 208 I C 1.342 177.346 176.117 -0.188 0.000 1.145 208 I CA -0.212 60.863 61.300 -0.375 0.000 1.261 208 I CB -0.253 37.296 38.000 -0.752 0.000 1.475 208 I HN 0.505 nan 8.210 nan 0.000 0.533 209 F N 4.296 124.118 119.950 -0.214 0.000 2.797 209 F HA 0.342 4.869 4.527 0.000 0.000 0.302 209 F C 0.771 176.511 175.800 -0.101 0.000 1.130 209 F CA -0.605 57.300 58.000 -0.158 0.000 1.387 209 F CB -0.255 38.654 39.000 -0.152 0.000 1.107 209 F HN 0.167 nan 8.300 nan 0.000 0.577 210 R N -0.082 120.095 120.500 -0.539 0.000 2.950 210 R HA 0.369 4.709 4.340 0.000 0.000 0.253 210 R C -1.056 175.130 176.300 -0.190 0.000 1.168 210 R CA -1.201 54.715 56.100 -0.308 0.000 1.014 210 R CB 0.099 30.231 30.300 -0.280 0.000 1.228 210 R HN -0.120 nan 8.270 nan 0.000 0.487 211 D N 0.555 120.908 120.400 -0.078 0.000 2.443 211 D HA 0.149 4.789 4.640 0.000 0.000 0.234 211 D C -0.482 175.755 176.300 -0.105 0.000 1.172 211 D CA 0.171 54.138 54.000 -0.055 0.000 0.878 211 D CB 0.567 41.377 40.800 0.017 0.000 1.204 211 D HN 0.090 nan 8.370 nan 0.000 0.453 212 V N 1.467 121.327 119.914 -0.090 0.000 2.407 212 V HA 0.488 4.608 4.120 0.000 0.000 0.291 212 V C -0.196 175.830 176.094 -0.113 0.000 1.018 212 V CA -0.449 61.758 62.300 -0.155 0.000 0.842 212 V CB 1.237 33.013 31.823 -0.077 0.000 0.996 212 V HN 0.743 nan 8.190 nan 0.000 0.426 213 S N 5.354 120.957 115.700 -0.162 0.000 2.697 213 S HA 0.814 5.284 4.470 0.000 0.000 0.289 213 S C -1.147 173.416 174.600 -0.063 0.000 1.149 213 S CA -0.963 57.194 58.200 -0.073 0.000 0.850 213 S CB 2.276 65.466 63.200 -0.016 0.000 1.151 213 S HN 0.401 nan 8.310 nan 0.000 0.491 214 L N 1.522 122.771 121.223 0.044 0.000 2.381 214 L HA 0.624 4.964 4.340 0.000 0.000 0.274 214 L C -1.611 175.370 176.870 0.185 0.000 0.988 214 L CA -0.729 54.202 54.840 0.151 0.000 0.824 214 L CB 1.707 43.951 42.059 0.308 0.000 1.263 214 L HN 0.720 nan 8.230 nan 0.000 0.410 215 L N 3.187 124.461 121.223 0.085 0.000 2.365 215 L HA 0.514 4.855 4.340 0.000 0.000 0.273 215 L C -1.027 175.721 176.870 -0.203 0.000 1.000 215 L CA -0.263 54.565 54.840 -0.020 0.000 0.819 215 L CB 1.866 43.932 42.059 0.012 0.000 1.284 215 L HN 0.504 nan 8.230 nan 0.000 0.418 216 H N 3.948 122.692 119.070 -0.544 0.000 2.539 216 H HA 0.575 5.131 4.556 0.000 0.000 0.332 216 H C -1.318 173.746 175.328 -0.440 0.000 1.031 216 H CA -0.363 55.227 56.048 -0.764 0.000 1.206 216 H CB 0.961 29.720 29.762 -1.672 0.000 1.446 216 H HN 0.552 nan 8.280 nan 0.000 0.496 217 K N 6.158 126.166 120.400 -0.654 0.000 2.427 217 K HA 0.308 4.628 4.320 0.000 0.000 0.252 217 K C -2.831 173.472 176.600 -0.495 0.000 0.931 217 K CA -2.370 53.642 56.287 -0.460 0.000 0.793 217 K CB 2.032 34.337 32.500 -0.324 0.000 1.211 217 K HN 0.495 nan 8.250 nan 0.000 0.426 218 P HA -0.071 nan 4.420 nan 0.000 0.266 218 P C 0.555 177.732 177.300 -0.204 0.000 1.193 218 P CA 0.189 63.148 63.100 -0.235 0.000 0.770 218 P CB 0.324 31.939 31.700 -0.142 0.000 0.836 219 T N -0.901 113.560 114.554 -0.155 0.000 2.803 219 T HA -0.097 4.253 4.350 0.000 0.000 0.269 219 T C 0.776 175.404 174.700 -0.121 0.000 1.052 219 T CA 1.406 63.432 62.100 -0.124 0.000 1.136 219 T CB -0.785 68.032 68.868 -0.085 0.000 0.864 219 T HN 0.376 nan 8.240 nan 0.000 0.467 220 T N 3.045 117.529 114.554 -0.117 0.000 2.770 220 T HA 0.500 4.850 4.350 0.000 0.000 0.297 220 T C -0.463 174.155 174.700 -0.138 0.000 0.997 220 T CA -0.820 61.203 62.100 -0.129 0.000 0.949 220 T CB 0.984 69.781 68.868 -0.119 0.000 0.941 220 T HN 0.625 nan 8.240 nan 0.000 0.457 221 Q N 2.747 122.451 119.800 -0.161 0.000 2.590 221 Q HA 0.582 4.922 4.340 0.000 0.000 0.295 221 Q C -1.189 174.703 176.000 -0.181 0.000 0.973 221 Q CA -1.155 54.539 55.803 -0.181 0.000 0.768 221 Q CB 1.286 29.885 28.738 -0.232 0.000 1.479 221 Q HN 0.452 nan 8.270 nan 0.000 0.419 222 I N 2.549 122.986 120.570 -0.222 0.000 2.517 222 I HA 0.021 4.191 4.170 0.000 0.000 0.285 222 I C 0.615 176.516 176.117 -0.359 0.000 1.106 222 I CA 0.193 61.361 61.300 -0.220 0.000 1.402 222 I CB 0.936 38.764 38.000 -0.288 0.000 1.399 222 I HN 0.909 nan 8.210 nan 0.000 0.535 223 S N 2.430 118.054 115.700 -0.126 0.000 2.559 223 S HA 0.240 4.710 4.470 0.000 0.000 0.226 223 S C 0.015 174.793 174.600 0.297 0.000 1.030 223 S CA -0.379 57.806 58.200 -0.026 0.000 0.956 223 S CB 0.472 63.665 63.200 -0.011 0.000 0.900 223 S HN 0.700 nan 8.310 nan 0.000 0.510 224 D N -0.104 120.505 120.400 0.349 0.000 2.683 224 D HA 0.596 5.236 4.640 0.000 0.000 0.246 224 D C -1.959 174.606 176.300 0.442 0.000 1.238 224 D CA -0.567 53.681 54.000 0.414 0.000 0.759 224 D CB 1.879 42.812 40.800 0.222 0.000 1.349 224 D HN 0.219 nan 8.370 nan 0.000 0.426 225 F N -0.457 119.554 119.950 0.103 0.000 2.660 225 F HA 0.472 4.999 4.527 0.000 0.000 0.320 225 F C -2.034 173.858 175.800 0.154 0.000 1.099 225 F CA -0.686 57.307 58.000 -0.013 0.000 1.061 225 F CB 0.426 39.461 39.000 0.059 0.000 1.300 225 F HN 0.326 nan 8.300 nan 0.000 0.479 226 H N 2.616 121.684 119.070 -0.003 0.000 2.572 226 H HA 0.804 5.360 4.556 0.000 0.000 0.359 226 H C -1.029 174.276 175.328 -0.039 0.000 1.134 226 H CA -1.662 54.318 56.048 -0.115 0.000 1.187 226 H CB 2.625 32.339 29.762 -0.080 0.000 1.597 226 H HN 0.610 nan 8.280 nan 0.000 0.524 227 V N 1.487 121.422 119.914 0.035 0.000 2.713 227 V HA 0.739 4.859 4.120 0.000 0.000 0.307 227 V C -0.089 175.971 176.094 -0.056 0.000 1.052 227 V CA -0.590 61.704 62.300 -0.011 0.000 0.967 227 V CB 1.459 33.254 31.823 -0.047 0.000 1.019 227 V HN 0.968 nan 8.190 nan 0.000 0.459 228 A N 2.104 124.872 122.820 -0.088 0.000 2.491 228 A HA 0.724 5.044 4.320 0.000 0.000 0.293 228 A C -0.390 177.104 177.584 -0.150 0.000 1.047 228 A CA -0.282 51.696 52.037 -0.098 0.000 0.735 228 A CB 1.766 20.734 19.000 -0.054 0.000 1.281 228 A HN 0.968 nan 8.150 nan 0.000 0.398 229 T N 0.601 115.048 114.554 -0.179 0.000 2.792 229 T HA 0.771 5.122 4.350 0.000 0.000 0.280 229 T C -0.385 174.064 174.700 -0.418 0.000 0.990 229 T CA -0.766 61.165 62.100 -0.282 0.000 0.960 229 T CB 1.000 69.684 68.868 -0.306 0.000 0.939 229 T HN 0.700 nan 8.240 nan 0.000 0.439 230 R N 2.496 122.684 120.500 -0.520 0.000 2.711 230 R HA 0.712 5.052 4.340 0.000 0.000 0.284 230 R C -1.147 174.667 176.300 -0.810 0.000 0.968 230 R CA -0.747 55.052 56.100 -0.502 0.000 0.924 230 R CB 1.520 31.695 30.300 -0.208 0.000 1.162 230 R HN 0.566 nan 8.270 nan 0.000 0.465 231 F N 0.084 120.015 119.950 -0.033 0.000 2.639 231 F HA 0.331 4.858 4.527 0.000 0.000 0.339 231 F C 0.707 176.382 175.800 -0.208 0.000 1.071 231 F CA -1.182 56.745 58.000 -0.122 0.000 0.994 231 F CB 0.728 39.572 39.000 -0.261 0.000 1.341 231 F HN 0.530 nan 8.300 nan 0.000 0.498 232 N N -0.420 118.272 118.700 -0.014 0.000 2.418 232 N HA 0.108 4.848 4.740 0.000 0.000 0.283 232 N C 0.539 175.931 175.510 -0.197 0.000 1.267 232 N CA -0.137 52.865 53.050 -0.079 0.000 0.975 232 N CB 0.026 38.490 38.487 -0.038 0.000 1.167 232 N HN 0.632 nan 8.380 nan 0.000 0.581 233 D N -0.864 119.458 120.400 -0.130 0.000 2.116 233 D HA -0.270 4.370 4.640 0.000 0.000 0.193 233 D C 0.354 176.556 176.300 -0.163 0.000 0.998 233 D CA 1.819 55.737 54.000 -0.136 0.000 0.836 233 D CB -0.767 40.004 40.800 -0.047 0.000 0.951 233 D HN 0.770 nan 8.370 nan 0.000 0.449 234 D N -1.329 119.039 120.400 -0.053 0.000 2.427 234 D HA 0.015 4.655 4.640 0.000 0.000 0.224 234 D C 0.201 176.653 176.300 0.253 0.000 1.157 234 D CA -0.834 53.237 54.000 0.119 0.000 0.828 234 D CB -1.021 39.847 40.800 0.113 0.000 0.974 234 D HN 0.245 nan 8.370 nan 0.000 0.498 235 F N 0.087 120.072 119.950 0.058 0.000 2.935 235 F HA -0.326 4.201 4.527 0.000 0.000 0.317 235 F C 1.827 177.677 175.800 0.084 0.000 0.699 235 F CA 0.900 58.940 58.000 0.067 0.000 1.127 235 F CB -2.494 36.439 39.000 -0.112 0.000 1.491 235 F HN 0.181 nan 8.300 nan 0.000 0.337 236 S N -0.513 115.285 115.700 0.164 0.000 2.507 236 S HA 0.035 4.505 4.470 0.000 0.000 0.235 236 S C 0.684 175.330 174.600 0.078 0.000 0.988 236 S CA 0.534 58.798 58.200 0.108 0.000 0.944 236 S CB 0.061 63.300 63.200 0.066 0.000 0.762 236 S HN 0.445 nan 8.310 nan 0.000 0.526 237 R N 0.291 120.846 120.500 0.091 0.000 2.626 237 R HA 0.779 5.119 4.340 0.000 0.000 0.274 237 R C -1.365 174.958 176.300 0.038 0.000 1.031 237 R CA -0.368 55.751 56.100 0.033 0.000 0.898 237 R CB 1.865 32.161 30.300 -0.006 0.000 1.222 237 R HN 0.178 nan 8.270 nan 0.000 0.455 238 A N 1.542 124.326 122.820 -0.061 0.000 2.515 238 A HA 0.741 5.061 4.320 0.000 0.000 0.296 238 A C -1.067 176.429 177.584 -0.146 0.000 1.094 238 A CA -0.726 51.210 52.037 -0.169 0.000 0.718 238 A CB 2.172 21.040 19.000 -0.220 0.000 1.307 238 A HN 0.318 nan 8.150 nan 0.000 0.408 239 V N 1.625 121.436 119.914 -0.172 0.000 2.378 239 V HA 0.421 4.542 4.120 0.000 0.000 0.288 239 V C -0.617 175.436 176.094 -0.068 0.000 1.016 239 V CA -0.294 61.945 62.300 -0.101 0.000 0.840 239 V CB 1.152 32.909 31.823 -0.110 0.000 0.994 239 V HN 0.779 nan 8.190 nan 0.000 0.431 240 L N 4.597 125.815 121.223 -0.008 0.000 2.259 240 L HA 0.514 4.854 4.340 0.000 0.000 0.288 240 L C 0.202 177.041 176.870 -0.053 0.000 1.051 240 L CA 0.379 55.204 54.840 -0.025 0.000 0.824 240 L CB 0.753 42.828 42.059 0.026 0.000 1.206 240 L HN 0.677 nan 8.230 nan 0.000 0.429 241 E N 4.670 124.830 120.200 -0.067 0.000 1.993 241 E HA 0.483 4.833 4.350 0.000 0.000 0.271 241 E C -0.801 175.782 176.600 -0.028 0.000 1.008 241 E CA -0.510 55.861 56.400 -0.050 0.000 0.814 241 E CB 0.941 30.611 29.700 -0.050 0.000 1.098 241 E HN 0.762 nan 8.360 nan 0.000 0.407 242 A N 4.482 127.290 122.820 -0.020 0.000 2.260 242 A HA 0.255 4.575 4.320 0.000 0.000 0.314 242 A C -0.299 177.276 177.584 -0.014 0.000 1.257 242 A CA -0.629 51.416 52.037 0.015 0.000 0.871 242 A CB 0.660 19.674 19.000 0.024 0.000 1.166 242 A HN 0.675 nan 8.150 nan 0.000 0.522 243 E N 3.004 123.192 120.200 -0.021 0.000 2.133 243 E HA 0.534 4.884 4.350 0.000 0.000 0.274 243 E C -1.399 175.138 176.600 -0.105 0.000 0.930 243 E CA -0.502 55.843 56.400 -0.092 0.000 0.770 243 E CB 1.277 30.896 29.700 -0.135 0.000 1.104 243 E HN 0.341 nan 8.360 nan 0.000 0.403 244 V N 4.451 124.309 119.914 -0.093 0.000 2.547 244 V HA 0.301 4.421 4.120 0.000 0.000 0.299 244 V C -0.256 175.860 176.094 0.036 0.000 1.040 244 V CA -0.748 61.535 62.300 -0.029 0.000 0.913 244 V CB 1.512 33.288 31.823 -0.078 0.000 0.992 244 V HN 0.754 nan 8.190 nan 0.000 0.449 245 Q N 4.309 124.162 119.800 0.089 0.000 2.337 245 Q HA 0.779 5.119 4.340 0.000 0.000 0.266 245 Q C -0.784 175.299 176.000 0.137 0.000 1.023 245 Q CA -0.746 55.132 55.803 0.125 0.000 0.829 245 Q CB 2.637 31.383 28.738 0.014 0.000 1.306 245 Q HN 0.852 nan 8.270 nan 0.000 0.449 246 M N -0.657 118.995 119.600 0.085 0.000 2.598 246 M HA 0.746 5.226 4.480 0.000 0.000 0.317 246 M C -1.306 174.906 176.300 -0.147 0.000 1.179 246 M CA -0.403 54.836 55.300 -0.100 0.000 0.936 246 M CB 2.026 34.381 32.600 -0.409 0.000 1.713 246 M HN 0.542 nan 8.290 nan 0.000 0.460 247 C N 1.969 121.178 119.300 -0.152 0.000 2.561 247 C HA 1.014 5.474 4.460 0.000 0.000 0.319 247 C C 0.665 175.563 174.990 -0.153 0.000 1.198 247 C CA 0.901 59.842 59.018 -0.128 0.000 1.665 247 C CB 0.933 28.613 27.740 -0.099 0.000 2.258 247 C HN 1.317 nan 8.230 nan 0.000 0.493 248 G N 3.055 111.775 108.800 -0.132 0.000 2.384 248 G HA2 -0.048 3.913 3.960 0.000 0.000 0.204 248 G HA3 -0.048 3.913 3.960 0.000 0.000 0.204 248 G C -1.060 173.757 174.900 -0.138 0.000 1.237 248 G CA -0.722 44.302 45.100 -0.127 0.000 1.060 248 G HN 0.755 nan 8.290 nan 0.000 0.514 249 E N 0.252 120.374 120.200 -0.130 0.000 2.180 249 E HA 0.434 4.784 4.350 0.000 0.000 0.283 249 E C 0.166 176.653 176.600 -0.189 0.000 1.061 249 E CA -0.269 56.055 56.400 -0.127 0.000 0.861 249 E CB 0.975 30.625 29.700 -0.083 0.000 1.056 249 E HN 0.411 nan 8.360 nan 0.000 0.407 250 L N 5.444 126.547 121.223 -0.200 0.000 2.325 250 L HA 0.214 4.554 4.340 0.000 0.000 0.284 250 L C -0.221 176.506 176.870 -0.238 0.000 1.089 250 L CA -0.089 54.595 54.840 -0.259 0.000 0.836 250 L CB 0.018 41.944 42.059 -0.223 0.000 1.184 250 L HN 0.346 nan 8.230 nan 0.000 0.444 251 R N 3.103 123.387 120.500 -0.360 0.000 2.476 251 R HA 0.150 4.490 4.340 0.000 0.000 0.305 251 R C 0.424 176.430 176.300 -0.490 0.000 0.965 251 R CA -0.674 55.167 56.100 -0.432 0.000 0.867 251 R CB 1.511 31.359 30.300 -0.754 0.000 1.176 251 R HN 0.630 nan 8.270 nan 0.000 0.447 252 D N 2.273 122.553 120.400 -0.199 0.000 2.407 252 D HA -0.289 4.351 4.640 0.000 0.000 0.197 252 D C 1.125 177.396 176.300 -0.049 0.000 1.024 252 D CA 1.973 55.928 54.000 -0.074 0.000 0.924 252 D CB -0.444 40.374 40.800 0.029 0.000 0.888 252 D HN 0.766 nan 8.370 nan 0.000 0.456 253 Y N -0.435 119.855 120.300 -0.017 0.000 2.466 253 Y HA 0.395 4.945 4.550 0.000 0.000 0.272 253 Y C 0.844 176.716 175.900 -0.046 0.000 1.169 253 Y CA -0.905 57.178 58.100 -0.029 0.000 1.285 253 Y CB -0.576 37.868 38.460 -0.027 0.000 1.078 253 Y HN -0.181 nan 8.280 nan 0.000 0.523 254 L N 2.169 123.194 121.223 -0.331 0.000 2.426 254 L HA 0.394 4.734 4.340 0.000 0.000 0.271 254 L C 0.111 176.946 176.870 -0.059 0.000 1.169 254 L CA -0.107 54.627 54.840 -0.178 0.000 0.836 254 L CB 0.344 42.302 42.059 -0.169 0.000 1.112 254 L HN 0.083 nan 8.230 nan 0.000 0.465 255 R N 1.296 121.712 120.500 -0.140 0.000 2.808 255 R HA 0.757 5.097 4.340 0.000 0.000 0.272 255 R C -1.620 174.599 176.300 -0.135 0.000 0.995 255 R CA -0.873 55.082 56.100 -0.242 0.000 0.917 255 R CB 2.330 32.234 30.300 -0.661 0.000 1.217 255 R HN 0.284 nan 8.270 nan 0.000 0.471 256 V N 1.323 121.177 119.914 -0.099 0.000 2.525 256 V HA 0.532 4.652 4.120 0.000 0.000 0.299 256 V C -0.755 175.371 176.094 0.053 0.000 1.034 256 V CA -0.548 61.736 62.300 -0.026 0.000 0.863 256 V CB 2.284 33.954 31.823 -0.256 0.000 0.999 256 V HN 0.766 nan 8.190 nan 0.000 0.423 257 T N 4.370 119.009 114.554 0.142 0.000 2.829 257 T HA 0.663 5.013 4.350 0.000 0.000 0.280 257 T C -0.661 174.015 174.700 -0.040 0.000 0.999 257 T CA -0.439 61.686 62.100 0.042 0.000 0.983 257 T CB 1.881 70.750 68.868 0.002 0.000 0.968 257 T HN 0.314 nan 8.240 nan 0.000 0.446 258 V N 3.477 123.355 119.914 -0.060 0.000 2.487 258 V HA 0.594 4.714 4.120 0.000 0.000 0.298 258 V C -0.387 175.657 176.094 -0.084 0.000 1.028 258 V CA -0.715 61.546 62.300 -0.066 0.000 0.860 258 V CB 2.010 33.794 31.823 -0.064 0.000 0.991 258 V HN 1.076 nan 8.190 nan 0.000 0.427 259 S N 5.712 121.365 115.700 -0.078 0.000 2.503 259 S HA 0.822 5.292 4.470 0.000 0.000 0.301 259 S C -0.913 173.594 174.600 -0.155 0.000 1.087 259 S CA -0.707 57.382 58.200 -0.185 0.000 1.042 259 S CB 2.218 65.282 63.200 -0.227 0.000 1.043 259 S HN 0.503 nan 8.310 nan 0.000 0.489 260 L N 2.657 123.720 121.223 -0.266 0.000 2.325 260 L HA 0.711 5.052 4.340 0.000 0.000 0.281 260 L C -1.869 174.901 176.870 -0.167 0.000 1.004 260 L CA -0.210 54.575 54.840 -0.092 0.000 0.823 260 L CB 0.558 42.591 42.059 -0.043 0.000 1.236 260 L HN 0.845 nan 8.230 nan 0.000 0.415 261 W N 3.398 124.787 121.300 0.150 0.000 2.706 261 W HA 0.650 5.310 4.660 0.000 0.000 0.346 261 W C -0.584 176.097 176.519 0.270 0.000 1.071 261 W CA -0.564 56.873 57.345 0.154 0.000 1.206 261 W CB 1.408 30.912 29.460 0.073 0.000 1.413 261 W HN 0.452 nan 8.180 nan 0.000 0.542 262 Q N 2.204 122.283 119.800 0.465 0.000 2.695 262 Q HA 0.517 4.857 4.340 0.000 0.000 0.246 262 Q C 0.355 176.443 176.000 0.148 0.000 0.961 262 Q CA 0.358 56.294 55.803 0.222 0.000 0.708 262 Q CB 0.823 29.661 28.738 0.167 0.000 1.282 262 Q HN 0.815 nan 8.270 nan 0.000 0.482 263 G N 3.044 111.902 108.800 0.096 0.000 2.596 263 G HA2 -0.356 3.604 3.960 0.000 0.000 0.258 263 G HA3 -0.356 3.604 3.960 0.000 0.000 0.258 263 G C 0.302 175.230 174.900 0.047 0.000 1.207 263 G CA 0.262 45.390 45.100 0.047 0.000 0.954 263 G HN 0.587 nan 8.290 nan 0.000 0.551 264 E N 0.215 120.451 120.200 0.059 0.000 2.476 264 E HA 0.322 4.672 4.350 0.000 0.000 0.199 264 E C 0.580 177.311 176.600 0.220 0.000 1.021 264 E CA 0.608 57.022 56.400 0.023 0.000 0.907 264 E CB 0.382 30.079 29.700 -0.004 0.000 0.974 264 E HN 0.395 nan 8.360 nan 0.000 0.489 265 T N 0.885 115.617 114.554 0.298 0.000 2.806 265 T HA 0.110 4.460 4.350 0.000 0.000 0.290 265 T C -0.505 174.469 174.700 0.458 0.000 0.966 265 T CA -0.352 61.955 62.100 0.344 0.000 1.060 265 T CB 1.380 70.360 68.868 0.187 0.000 0.927 265 T HN 0.035 nan 8.240 nan 0.000 0.485 266 Q N 3.485 123.404 119.800 0.199 0.000 2.337 266 Q HA 0.229 4.569 4.340 0.000 0.000 0.255 266 Q C 0.842 176.706 176.000 -0.228 0.000 0.997 266 Q CA -0.502 55.047 55.803 -0.423 0.000 0.925 266 Q CB 0.672 28.711 28.738 -1.165 0.000 1.212 266 Q HN 0.660 nan 8.270 nan 0.000 0.436 267 V N 1.820 121.645 119.914 -0.148 0.000 2.591 267 V HA 0.292 4.412 4.120 0.000 0.000 0.249 267 V C 0.669 176.683 176.094 -0.133 0.000 1.053 267 V CA 1.000 63.261 62.300 -0.065 0.000 1.068 267 V CB -0.744 31.105 31.823 0.044 0.000 0.689 267 V HN 0.705 nan 8.190 nan 0.000 0.462 268 A N -0.779 121.914 122.820 -0.212 0.000 2.567 268 A HA 0.759 5.079 4.320 0.000 0.000 0.291 268 A C -0.650 176.799 177.584 -0.225 0.000 1.048 268 A CA 0.276 52.204 52.037 -0.182 0.000 0.661 268 A CB 1.351 20.276 19.000 -0.125 0.000 1.288 268 A HN 0.785 nan 8.150 nan 0.000 0.424 269 S N -0.569 115.028 115.700 -0.172 0.000 2.565 269 S HA 0.844 5.314 4.470 0.000 0.000 0.269 269 S C -0.601 173.935 174.600 -0.107 0.000 1.153 269 S CA 0.285 58.388 58.200 -0.162 0.000 0.835 269 S CB 1.502 64.583 63.200 -0.199 0.000 1.122 269 S HN 2.525 nan 8.310 nan 0.000 0.462 270 G N 1.541 110.288 108.800 -0.088 0.000 2.753 270 G HA2 0.596 4.556 3.960 0.000 0.000 0.295 270 G HA3 0.596 4.556 3.960 0.000 0.000 0.295 270 G C -1.272 173.598 174.900 -0.050 0.000 1.437 270 G CA -0.448 44.612 45.100 -0.066 0.000 1.094 270 G HN 0.767 nan 8.290 nan 0.000 0.540 271 T N 0.244 114.778 114.554 -0.033 0.000 2.856 271 T HA 0.881 5.231 4.350 0.000 0.000 0.283 271 T C -0.078 174.599 174.700 -0.039 0.000 1.008 271 T CA -0.001 62.096 62.100 -0.006 0.000 0.997 271 T CB 1.810 70.704 68.868 0.044 0.000 0.992 271 T HN 1.582 nan 8.240 nan 0.000 0.454 272 A N 3.469 126.247 122.820 -0.069 0.000 2.597 272 A HA 0.852 5.173 4.320 0.000 0.000 0.292 272 A C -3.145 174.348 177.584 -0.152 0.000 1.057 272 A CA -1.503 50.471 52.037 -0.104 0.000 0.674 272 A CB 1.061 19.990 19.000 -0.118 0.000 1.278 272 A HN 0.533 nan 8.150 nan 0.000 0.416 273 P HA 0.580 nan 4.420 nan 0.000 0.278 273 P C -0.671 176.559 177.300 -0.117 0.000 1.266 273 P CA -0.280 62.780 63.100 -0.067 0.000 0.807 273 P CB 0.367 32.059 31.700 -0.012 0.000 1.094 274 F N 0.041 119.952 119.950 -0.065 0.000 2.406 274 F HA 0.513 5.040 4.527 0.000 0.000 0.327 274 F C 1.325 177.107 175.800 -0.030 0.000 1.153 274 F CA 1.385 59.355 58.000 -0.049 0.000 1.218 274 F CB 0.413 39.376 39.000 -0.063 0.000 1.215 274 F HN 0.595 nan 8.300 nan 0.000 0.570 275 G N 1.430 110.349 108.800 0.198 0.000 3.400 275 G HA2 0.362 4.322 3.960 0.000 0.000 0.679 275 G HA3 0.362 4.322 3.960 0.000 0.000 0.679 275 G C -0.519 174.419 174.900 0.064 0.000 1.239 275 G CA -0.726 44.451 45.100 0.127 0.000 1.049 275 G HN 1.066 nan 8.290 nan 0.000 0.539 276 G N 0.375 109.227 108.800 0.087 0.000 2.606 276 G HA2 0.732 4.692 3.960 0.000 0.000 0.262 276 G HA3 0.732 4.692 3.960 0.000 0.000 0.262 276 G C 0.137 175.061 174.900 0.041 0.000 1.394 276 G CA -0.466 44.669 45.100 0.060 0.000 1.044 276 G HN 0.788 nan 8.290 nan 0.000 0.553 277 E N -1.042 119.180 120.200 0.037 0.000 2.392 277 E HA 0.214 4.564 4.350 0.000 0.000 0.256 277 E C -0.178 176.434 176.600 0.020 0.000 1.145 277 E CA -0.133 56.279 56.400 0.021 0.000 0.929 277 E CB 1.293 31.002 29.700 0.015 0.000 0.998 277 E HN 0.201 nan 8.360 nan 0.000 0.442 278 I N 2.428 123.000 120.570 0.003 0.000 2.529 278 I HA -0.029 4.141 4.170 0.000 0.000 0.284 278 I C 1.372 177.486 176.117 -0.005 0.000 1.082 278 I CA 0.391 61.685 61.300 -0.011 0.000 1.406 278 I CB 0.444 38.434 38.000 -0.015 0.000 1.405 278 I HN 0.581 nan 8.210 nan 0.000 0.548 279 I N 1.970 122.530 120.570 -0.017 0.000 3.445 279 I HA 0.242 4.412 4.170 0.000 0.000 0.288 279 I C -0.111 175.997 176.117 -0.015 0.000 1.198 279 I CA 0.299 61.598 61.300 -0.001 0.000 1.417 279 I CB 0.490 38.509 38.000 0.031 0.000 1.205 279 I HN 0.642 nan 8.210 nan 0.000 0.448 280 D N -0.055 120.323 120.400 -0.036 0.000 2.895 280 D HA 0.184 4.824 4.640 0.000 0.000 0.320 280 D C 0.216 176.494 176.300 -0.036 0.000 1.249 280 D CA -0.482 53.499 54.000 -0.031 0.000 0.997 280 D CB 0.478 41.260 40.800 -0.030 0.000 1.430 280 D HN -0.133 nan 8.370 nan 0.000 0.558 281 E N -1.057 119.124 120.200 -0.031 0.000 2.455 281 E HA -0.024 4.326 4.350 0.000 0.000 0.202 281 E C 0.930 177.507 176.600 -0.038 0.000 1.045 281 E CA 0.784 57.166 56.400 -0.030 0.000 0.872 281 E CB -0.100 29.586 29.700 -0.023 0.000 0.792 281 E HN 0.229 nan 8.360 nan 0.000 0.542 282 R N -0.754 119.714 120.500 -0.053 0.000 2.509 282 R HA 0.293 4.633 4.340 0.000 0.000 0.300 282 R C 0.739 176.993 176.300 -0.078 0.000 0.985 282 R CA 0.418 56.480 56.100 -0.063 0.000 1.092 282 R CB 1.001 31.259 30.300 -0.069 0.000 1.237 282 R HN 0.204 nan 8.270 nan 0.000 0.546 283 G N 0.269 109.025 108.800 -0.072 0.000 2.754 283 G HA2 -0.223 3.737 3.960 0.000 0.000 0.241 283 G HA3 -0.223 3.737 3.960 0.000 0.000 0.241 283 G C 0.045 174.885 174.900 -0.101 0.000 1.281 283 G CA -0.535 44.522 45.100 -0.072 0.000 0.971 283 G HN 0.530 nan 8.290 nan 0.000 0.569 284 G N -2.143 106.581 108.800 -0.127 0.000 2.846 284 G HA2 0.633 4.593 3.960 0.000 0.000 0.299 284 G HA3 0.633 4.593 3.960 0.000 0.000 0.299 284 G C -1.575 173.161 174.900 -0.273 0.000 1.242 284 G CA -0.350 44.646 45.100 -0.173 0.000 0.800 284 G HN 0.886 nan 8.290 nan 0.000 0.538 285 Y N 1.180 121.491 120.300 0.017 0.000 2.404 285 Y HA 0.461 5.012 4.550 0.000 0.000 0.344 285 Y C 1.450 177.378 175.900 0.045 0.000 0.995 285 Y CA 0.277 58.394 58.100 0.029 0.000 1.201 285 Y CB 1.765 40.248 38.460 0.038 0.000 1.151 285 Y HN 0.569 nan 8.280 nan 0.000 0.517 286 A N 1.932 124.835 122.820 0.138 0.000 1.970 286 A HA -0.128 4.192 4.320 0.000 0.000 0.216 286 A C 1.285 178.960 177.584 0.153 0.000 1.170 286 A CA 1.363 53.461 52.037 0.101 0.000 0.645 286 A CB -0.278 18.736 19.000 0.022 0.000 0.816 286 A HN 0.797 nan 8.150 nan 0.000 0.447 287 D N -0.628 119.863 120.400 0.152 0.000 2.460 287 D HA 0.194 4.834 4.640 0.000 0.000 0.229 287 D C 0.399 176.887 176.300 0.312 0.000 1.170 287 D CA -0.091 53.939 54.000 0.049 0.000 0.827 287 D CB -0.105 40.663 40.800 -0.053 0.000 0.973 287 D HN 0.408 nan 8.370 nan 0.000 0.496 288 R N -1.062 119.734 120.500 0.492 0.000 2.817 288 R HA 0.770 5.110 4.340 0.000 0.000 0.268 288 R C -1.577 174.804 176.300 0.136 0.000 1.027 288 R CA -1.204 55.102 56.100 0.343 0.000 0.928 288 R CB 2.797 33.149 30.300 0.087 0.000 1.228 288 R HN -0.008 nan 8.270 nan 0.000 0.469 289 V N -0.244 119.594 119.914 -0.127 0.000 3.204 289 V HA 0.600 4.720 4.120 0.000 0.000 0.298 289 V C -1.735 174.259 176.094 -0.168 0.000 1.328 289 V CA -0.243 61.930 62.300 -0.212 0.000 1.035 289 V CB 2.828 34.373 31.823 -0.463 0.000 1.095 289 V HN 0.806 nan 8.190 nan 0.000 0.442 290 T N 5.986 120.466 114.554 -0.124 0.000 2.881 290 T HA 0.685 5.036 4.350 0.000 0.000 0.291 290 T C -0.994 173.653 174.700 -0.089 0.000 0.990 290 T CA -0.223 61.820 62.100 -0.094 0.000 0.976 290 T CB 1.097 69.929 68.868 -0.060 0.000 0.970 290 T HN 0.548 nan 8.240 nan 0.000 0.438 291 L N 2.728 123.899 121.223 -0.086 0.000 2.352 291 L HA 0.671 5.011 4.340 0.000 0.000 0.269 291 L C 0.575 177.410 176.870 -0.060 0.000 1.034 291 L CA -0.611 54.184 54.840 -0.076 0.000 0.806 291 L CB 0.879 42.889 42.059 -0.082 0.000 1.244 291 L HN 0.378 nan 8.230 nan 0.000 0.447 292 R N 2.214 122.679 120.500 -0.057 0.000 2.473 292 R HA 0.586 4.926 4.340 0.000 0.000 0.303 292 R C -1.590 174.677 176.300 -0.054 0.000 1.002 292 R CA -0.491 55.577 56.100 -0.053 0.000 0.884 292 R CB 1.170 31.440 30.300 -0.051 0.000 1.173 292 R HN 0.493 nan 8.270 nan 0.000 0.464 293 L N 3.475 124.668 121.223 -0.051 0.000 2.296 293 L HA 0.433 4.773 4.340 0.000 0.000 0.286 293 L C -0.114 176.725 176.870 -0.052 0.000 1.023 293 L CA -0.941 53.867 54.840 -0.053 0.000 0.812 293 L CB 1.385 43.413 42.059 -0.051 0.000 1.223 293 L HN 0.470 nan 8.230 nan 0.000 0.421 294 N N 3.242 121.905 118.700 -0.062 0.000 2.444 294 N HA 0.346 5.086 4.740 0.000 0.000 0.271 294 N C -0.767 174.689 175.510 -0.090 0.000 1.069 294 N CA -0.262 52.746 53.050 -0.070 0.000 0.965 294 N CB 2.627 41.076 38.487 -0.062 0.000 1.092 294 N HN 0.221 nan 8.380 nan 0.000 0.476 295 V N 1.721 121.562 119.914 -0.122 0.000 2.531 295 V HA 0.263 4.383 4.120 0.000 0.000 0.301 295 V C 0.088 176.082 176.094 -0.168 0.000 1.034 295 V CA -0.785 61.403 62.300 -0.187 0.000 0.865 295 V CB 2.032 33.638 31.823 -0.363 0.000 0.995 295 V HN 0.584 nan 8.190 nan 0.000 0.424 296 E N 3.312 123.440 120.200 -0.119 0.000 2.231 296 E HA 0.381 4.731 4.350 0.000 0.000 0.277 296 E C -0.118 176.443 176.600 -0.065 0.000 0.999 296 E CA -0.482 55.875 56.400 -0.073 0.000 0.827 296 E CB 0.628 30.303 29.700 -0.042 0.000 1.101 296 E HN 0.711 nan 8.360 nan 0.000 0.393 297 N N 1.656 120.339 118.700 -0.028 0.000 2.716 297 N HA -0.129 4.611 4.740 0.000 0.000 0.250 297 N C -2.494 173.004 175.510 -0.020 0.000 1.033 297 N CA 0.493 53.542 53.050 -0.002 0.000 0.727 297 N CB -1.504 36.989 38.487 0.009 0.000 0.950 297 N HN 0.390 nan 8.380 nan 0.000 0.541 298 P HA 0.097 nan 4.420 nan 0.000 0.272 298 P C 0.006 177.325 177.300 0.031 0.000 1.223 298 P CA 0.180 63.163 63.100 -0.195 0.000 0.784 298 P CB 0.852 32.131 31.700 -0.702 0.000 0.923 299 K N 1.950 122.497 120.400 0.243 0.000 2.258 299 K HA 0.334 4.654 4.320 0.000 0.000 0.284 299 K C 0.094 176.857 176.600 0.271 0.000 1.051 299 K CA -0.454 55.950 56.287 0.195 0.000 0.923 299 K CB 0.264 32.838 32.500 0.123 0.000 1.046 299 K HN 0.413 nan 8.250 nan 0.000 0.474 300 L N 2.652 123.947 121.223 0.119 0.000 2.395 300 L HA 0.308 4.648 4.340 0.000 0.000 0.269 300 L C -0.226 176.724 176.870 0.132 0.000 1.133 300 L CA -0.671 54.237 54.840 0.113 0.000 0.812 300 L CB 0.560 42.518 42.059 -0.167 0.000 1.125 300 L HN 0.625 nan 8.230 nan 0.000 0.452 301 W N 2.644 123.957 121.300 0.022 0.000 2.417 301 W HA 0.491 5.151 4.660 0.000 0.000 0.317 301 W C -0.437 176.056 176.519 -0.044 0.000 1.121 301 W CA 0.023 57.379 57.345 0.018 0.000 1.208 301 W CB 1.384 30.904 29.460 0.101 0.000 1.253 301 W HN 0.547 nan 8.180 nan 0.000 0.533 302 S N 2.889 118.224 115.700 -0.608 0.000 2.596 302 S HA 0.597 5.067 4.470 0.000 0.000 0.270 302 S C 0.173 174.148 174.600 -1.042 0.000 1.155 302 S CA -0.424 57.484 58.200 -0.487 0.000 0.827 302 S CB 1.364 64.542 63.200 -0.036 0.000 1.130 302 S HN 0.747 nan 8.310 nan 0.000 0.467 303 A N 0.487 122.864 122.820 -0.737 0.000 2.019 303 A HA -0.043 4.277 4.320 0.000 0.000 0.219 303 A C 1.724 178.981 177.584 -0.544 0.000 1.164 303 A CA 1.463 52.971 52.037 -0.882 0.000 0.644 303 A CB -0.785 17.516 19.000 -1.165 0.000 0.805 303 A HN 0.865 nan 8.150 nan 0.000 0.449 304 E N -0.606 119.407 120.200 -0.312 0.000 2.028 304 E HA -0.015 4.335 4.350 0.000 0.000 0.191 304 E C -0.151 176.287 176.600 -0.271 0.000 0.988 304 E CA 0.840 57.095 56.400 -0.241 0.000 0.799 304 E CB -0.070 29.585 29.700 -0.075 0.000 0.755 304 E HN 0.626 nan 8.360 nan 0.000 0.447 305 I N 1.862 122.255 120.570 -0.294 0.000 2.521 305 I HA 0.167 4.337 4.170 0.000 0.000 0.277 305 I C -2.424 173.432 176.117 -0.434 0.000 1.054 305 I CA -2.046 59.092 61.300 -0.271 0.000 1.117 305 I CB 1.941 39.840 38.000 -0.168 0.000 1.217 305 I HN -0.189 nan 8.210 nan 0.000 0.469 306 P HA 0.038 nan 4.420 nan 0.000 0.232 306 P C -0.418 176.806 177.300 -0.128 0.000 1.738 306 P CA -0.162 62.518 63.100 -0.700 0.000 0.948 306 P CB -0.316 31.183 31.700 -0.334 0.000 1.943 307 N N 1.507 120.184 118.700 -0.039 0.000 2.411 307 N HA 0.071 4.811 4.740 0.000 0.000 0.261 307 N C -0.062 175.666 175.510 0.364 0.000 1.248 307 N CA 0.631 53.754 53.050 0.122 0.000 0.885 307 N CB 0.536 39.081 38.487 0.098 0.000 1.062 307 N HN 0.308 nan 8.380 nan 0.000 0.471 308 L N 2.763 124.096 121.223 0.183 0.000 2.388 308 L HA 0.447 4.788 4.340 0.000 0.000 0.264 308 L C -1.083 175.820 176.870 0.055 0.000 0.998 308 L CA -0.814 54.158 54.840 0.220 0.000 0.817 308 L CB 1.486 43.659 42.059 0.190 0.000 1.338 308 L HN 0.439 nan 8.230 nan 0.000 0.414 309 Y N 0.880 121.301 120.300 0.201 0.000 2.485 309 Y HA 0.502 5.052 4.550 0.000 0.000 0.345 309 Y C -0.118 175.881 175.900 0.165 0.000 0.998 309 Y CA -0.704 57.521 58.100 0.209 0.000 1.059 309 Y CB 2.156 40.792 38.460 0.294 0.000 1.234 309 Y HN 0.414 nan 8.280 nan 0.000 0.461 310 R N 1.724 122.441 120.500 0.362 0.000 2.255 310 R HA 0.795 5.135 4.340 0.000 0.000 0.326 310 R C -1.229 175.265 176.300 0.322 0.000 0.986 310 R CA -0.469 55.792 56.100 0.268 0.000 0.847 310 R CB 0.680 31.070 30.300 0.150 0.000 1.111 310 R HN 0.786 nan 8.270 nan 0.000 0.452 311 A N 4.332 127.286 122.820 0.224 0.000 2.276 311 A HA 0.526 4.846 4.320 0.000 0.000 0.316 311 A C -0.859 176.815 177.584 0.149 0.000 1.229 311 A CA -0.636 51.511 52.037 0.183 0.000 0.851 311 A CB 1.200 20.275 19.000 0.125 0.000 1.165 311 A HN 0.503 nan 8.150 nan 0.000 0.513 312 V N 2.842 122.844 119.914 0.148 0.000 2.513 312 V HA 0.464 4.584 4.120 0.000 0.000 0.299 312 V C -0.218 175.870 176.094 -0.011 0.000 1.035 312 V CA -0.634 61.711 62.300 0.076 0.000 0.889 312 V CB 1.579 33.487 31.823 0.142 0.000 0.988 312 V HN 0.587 nan 8.190 nan 0.000 0.440 313 V N 4.042 123.903 119.914 -0.088 0.000 2.357 313 V HA 0.424 4.544 4.120 0.000 0.000 0.284 313 V C -0.174 175.865 176.094 -0.092 0.000 1.018 313 V CA -0.378 61.834 62.300 -0.147 0.000 0.841 313 V CB 1.548 33.159 31.823 -0.354 0.000 0.991 313 V HN 0.970 nan 8.190 nan 0.000 0.437 314 E N 3.512 123.676 120.200 -0.059 0.000 2.171 314 E HA 0.523 4.873 4.350 0.000 0.000 0.271 314 E C -1.189 175.473 176.600 0.104 0.000 0.916 314 E CA -0.742 55.640 56.400 -0.031 0.000 0.774 314 E CB 2.108 31.712 29.700 -0.160 0.000 1.128 314 E HN 0.465 nan 8.360 nan 0.000 0.403 315 L N 6.282 127.587 121.223 0.136 0.000 2.301 315 L HA 0.335 4.675 4.340 0.000 0.000 0.278 315 L C -1.100 175.930 176.870 0.266 0.000 1.022 315 L CA -0.192 54.764 54.840 0.194 0.000 0.854 315 L CB 0.058 42.167 42.059 0.084 0.000 1.226 315 L HN 0.596 nan 8.230 nan 0.000 0.429 316 H N 1.015 120.113 119.070 0.046 0.000 2.960 316 H HA 0.665 5.221 4.556 0.000 0.000 0.303 316 H C -0.690 174.694 175.328 0.094 0.000 1.412 316 H CA -0.410 55.674 56.048 0.060 0.000 1.227 316 H CB 0.631 30.421 29.762 0.046 0.000 1.912 316 H HN 0.391 nan 8.280 nan 0.000 0.583 317 T N -2.906 111.702 114.554 0.090 0.000 2.899 317 T HA 0.515 4.865 4.350 0.000 0.000 0.284 317 T C 1.472 176.173 174.700 0.001 0.000 1.004 317 T CA -0.112 62.059 62.100 0.119 0.000 1.043 317 T CB 1.295 70.270 68.868 0.179 0.000 1.013 317 T HN 0.793 nan 8.240 nan 0.000 0.518 318 A N 1.897 124.749 122.820 0.052 0.000 1.892 318 A HA -0.165 4.155 4.320 0.000 0.000 0.218 318 A C 1.868 179.483 177.584 0.051 0.000 1.188 318 A CA 2.297 54.341 52.037 0.011 0.000 0.631 318 A CB -1.535 17.495 19.000 0.050 0.000 0.822 318 A HN 1.082 nan 8.150 nan 0.000 0.447 319 D N -2.548 117.884 120.400 0.054 0.000 2.357 319 D HA 0.196 4.836 4.640 0.000 0.000 0.216 319 D C 1.197 177.544 176.300 0.077 0.000 0.973 319 D CA 1.532 55.559 54.000 0.045 0.000 0.912 319 D CB -0.324 40.483 40.800 0.011 0.000 0.900 319 D HN 0.920 nan 8.370 nan 0.000 0.501 320 G N -1.532 107.350 108.800 0.137 0.000 2.201 320 G HA2 -0.235 3.725 3.960 0.000 0.000 0.212 320 G HA3 -0.235 3.725 3.960 0.000 0.000 0.212 320 G C 0.429 175.426 174.900 0.162 0.000 0.994 320 G CA 0.049 45.260 45.100 0.185 0.000 0.644 320 G HN 0.430 nan 8.290 nan 0.000 0.508 321 T N 1.199 115.833 114.554 0.133 0.000 2.930 321 T HA 0.445 4.795 4.350 0.000 0.000 0.306 321 T C 0.397 175.192 174.700 0.158 0.000 1.045 321 T CA 0.342 62.510 62.100 0.114 0.000 1.134 321 T CB 1.356 70.274 68.868 0.083 0.000 0.961 321 T HN 0.630 nan 8.240 nan 0.000 0.545 322 L N 4.224 125.517 121.223 0.116 0.000 2.292 322 L HA 0.384 4.725 4.340 0.000 0.000 0.284 322 L C 0.346 177.275 176.870 0.099 0.000 1.065 322 L CA -0.286 54.623 54.840 0.116 0.000 0.806 322 L CB 0.597 42.694 42.059 0.062 0.000 1.175 322 L HN 0.577 nan 8.230 nan 0.000 0.431 323 I N 2.949 123.580 120.570 0.101 0.000 2.927 323 I HA 0.264 4.434 4.170 0.000 0.000 0.268 323 I C 0.305 176.443 176.117 0.035 0.000 1.153 323 I CA 0.579 61.916 61.300 0.060 0.000 1.459 323 I CB -0.112 37.915 38.000 0.045 0.000 1.149 323 I HN 0.796 nan 8.210 nan 0.000 0.443 324 E N -0.151 120.074 120.200 0.041 0.000 2.381 324 E HA 0.573 4.924 4.350 0.000 0.000 0.281 324 E C -1.958 174.667 176.600 0.041 0.000 1.151 324 E CA -0.776 55.645 56.400 0.034 0.000 0.904 324 E CB 0.644 30.326 29.700 -0.030 0.000 1.234 324 E HN -0.060 nan 8.360 nan 0.000 0.427 325 A N 2.294 125.173 122.820 0.099 0.000 2.398 325 A HA 0.705 5.025 4.320 0.000 0.000 0.301 325 A C -1.011 176.732 177.584 0.265 0.000 1.041 325 A CA -0.688 51.416 52.037 0.112 0.000 0.711 325 A CB 1.843 20.904 19.000 0.101 0.000 1.240 325 A HN 0.484 nan 8.150 nan 0.000 0.420 326 E N 0.002 120.282 120.200 0.134 0.000 2.316 326 E HA 0.899 5.249 4.350 0.000 0.000 0.258 326 E C -0.357 176.356 176.600 0.187 0.000 0.952 326 E CA -0.235 56.315 56.400 0.251 0.000 0.818 326 E CB 2.236 31.903 29.700 -0.055 0.000 1.260 326 E HN 1.274 nan 8.360 nan 0.000 0.416 327 A N -0.262 122.788 122.820 0.384 0.000 2.586 327 A HA 0.674 4.994 4.320 0.000 0.000 0.291 327 A C -1.323 176.491 177.584 0.384 0.000 1.062 327 A CA -0.315 51.870 52.037 0.248 0.000 0.666 327 A CB 0.471 19.487 19.000 0.027 0.000 1.281 327 A HN 0.869 nan 8.150 nan 0.000 0.421 328 C N -0.255 119.212 119.300 0.279 0.000 3.284 328 C HA 0.769 5.229 4.460 0.000 0.000 0.338 328 C C -1.418 173.661 174.990 0.147 0.000 1.237 328 C CA -0.969 58.186 59.018 0.228 0.000 1.276 328 C CB 1.186 29.070 27.740 0.240 0.000 1.601 328 C HN 0.839 nan 8.230 nan 0.000 0.494 329 D N 1.364 121.826 120.400 0.103 0.000 2.304 329 D HA 0.511 5.151 4.640 0.000 0.000 0.250 329 D C -0.340 175.983 176.300 0.038 0.000 1.107 329 D CA 0.197 54.255 54.000 0.096 0.000 0.885 329 D CB 2.043 42.903 40.800 0.100 0.000 1.192 329 D HN 0.519 nan 8.370 nan 0.000 0.436 330 V N 0.899 120.857 119.914 0.073 0.000 2.680 330 V HA 0.687 4.807 4.120 0.000 0.000 0.309 330 V C 0.476 176.580 176.094 0.017 0.000 1.052 330 V CA -0.746 61.531 62.300 -0.038 0.000 0.908 330 V CB 2.220 33.999 31.823 -0.072 0.000 1.001 330 V HN 0.664 nan 8.190 nan 0.000 0.431 331 G N 2.417 111.135 108.800 -0.136 0.000 2.609 331 G HA2 0.651 4.611 3.960 0.000 0.000 0.308 331 G HA3 0.651 4.611 3.960 0.000 0.000 0.308 331 G C -1.298 173.601 174.900 -0.001 0.000 1.369 331 G CA -0.420 44.689 45.100 0.015 0.000 0.958 331 G HN 0.373 nan 8.290 nan 0.000 0.499 332 F N 1.963 122.091 119.950 0.298 0.000 2.421 332 F HA 0.592 5.119 4.527 0.000 0.000 0.358 332 F C 0.974 177.004 175.800 0.383 0.000 1.115 332 F CA -0.231 57.996 58.000 0.378 0.000 1.160 332 F CB 1.250 40.530 39.000 0.468 0.000 1.123 332 F HN 0.532 nan 8.300 nan 0.000 0.508 333 R N 1.313 122.126 120.500 0.521 0.000 2.644 333 R HA 0.400 4.740 4.340 0.000 0.000 0.257 333 R C -1.706 174.782 176.300 0.313 0.000 1.082 333 R CA -1.028 55.234 56.100 0.269 0.000 0.927 333 R CB 1.436 31.885 30.300 0.248 0.000 1.258 333 R HN 0.504 nan 8.270 nan 0.000 0.459 334 E N 2.555 122.874 120.200 0.197 0.000 2.165 334 E HA 0.385 4.735 4.350 0.000 0.000 0.266 334 E C -1.130 175.565 176.600 0.160 0.000 0.889 334 E CA -0.951 55.617 56.400 0.279 0.000 0.756 334 E CB 1.816 31.763 29.700 0.411 0.000 1.131 334 E HN 0.487 nan 8.360 nan 0.000 0.411 335 V N 5.151 125.140 119.914 0.124 0.000 2.328 335 V HA 0.541 4.661 4.120 0.000 0.000 0.278 335 V C 0.045 176.183 176.094 0.073 0.000 1.021 335 V CA -0.767 61.575 62.300 0.070 0.000 0.838 335 V CB 0.850 32.688 31.823 0.024 0.000 0.999 335 V HN 0.623 nan 8.190 nan 0.000 0.447 336 R N 4.445 124.988 120.500 0.071 0.000 2.673 336 R HA 0.699 5.039 4.340 0.000 0.000 0.281 336 R C -1.625 174.703 176.300 0.047 0.000 0.991 336 R CA -0.830 55.311 56.100 0.067 0.000 0.896 336 R CB 2.102 32.457 30.300 0.091 0.000 1.201 336 R HN 0.700 nan 8.270 nan 0.000 0.457 337 I N 2.650 123.245 120.570 0.041 0.000 2.331 337 I HA 0.302 4.472 4.170 0.000 0.000 0.292 337 I C -0.262 175.874 176.117 0.032 0.000 0.998 337 I CA -0.216 61.101 61.300 0.029 0.000 1.267 337 I CB 1.608 39.624 38.000 0.028 0.000 1.386 337 I HN 0.572 nan 8.210 nan 0.000 0.476 338 E N 6.183 126.398 120.200 0.026 0.000 2.317 338 E HA 0.145 4.495 4.350 0.000 0.000 0.270 338 E C -0.836 175.775 176.600 0.018 0.000 0.899 338 E CA -0.417 55.999 56.400 0.027 0.000 0.814 338 E CB 0.958 30.680 29.700 0.037 0.000 1.296 338 E HN 0.649 nan 8.360 nan 0.000 0.404 339 N N 3.074 121.784 118.700 0.016 0.000 2.816 339 N HA -0.212 4.528 4.740 0.000 0.000 0.247 339 N C 0.434 175.947 175.510 0.005 0.000 1.100 339 N CA 2.045 55.102 53.050 0.011 0.000 0.687 339 N CB -1.234 37.259 38.487 0.011 0.000 1.003 339 N HN 0.931 nan 8.380 nan 0.000 0.554 340 G N -2.107 106.695 108.800 0.004 0.000 2.253 340 G HA2 -0.279 3.682 3.960 0.000 0.000 0.251 340 G HA3 -0.279 3.682 3.960 0.000 0.000 0.251 340 G C 0.024 174.915 174.900 -0.014 0.000 0.998 340 G CA 0.484 45.581 45.100 -0.004 0.000 0.621 340 G HN 0.446 nan 8.290 nan 0.000 0.524 341 L N 0.426 121.643 121.223 -0.010 0.000 2.344 341 L HA 0.771 5.111 4.340 0.000 0.000 0.272 341 L C 0.190 177.050 176.870 -0.017 0.000 1.035 341 L CA -1.139 53.689 54.840 -0.021 0.000 0.807 341 L CB 1.650 43.699 42.059 -0.018 0.000 1.237 341 L HN 0.161 nan 8.230 nan 0.000 0.442 342 L N 3.495 124.696 121.223 -0.035 0.000 2.264 342 L HA 0.511 4.851 4.340 0.000 0.000 0.289 342 L C -0.842 176.008 176.870 -0.032 0.000 1.044 342 L CA 0.160 54.981 54.840 -0.033 0.000 0.807 342 L CB 0.816 42.842 42.059 -0.055 0.000 1.192 342 L HN 0.386 nan 8.230 nan 0.000 0.425 343 L N 5.574 126.795 121.223 -0.004 0.000 2.334 343 L HA 0.593 4.933 4.340 0.000 0.000 0.273 343 L C -0.880 176.005 176.870 0.026 0.000 1.013 343 L CA -0.789 54.061 54.840 0.017 0.000 0.816 343 L CB 1.934 44.026 42.059 0.056 0.000 1.278 343 L HN 0.560 nan 8.230 nan 0.000 0.431 344 L N 3.089 124.344 121.223 0.055 0.000 2.372 344 L HA 0.470 4.810 4.340 0.000 0.000 0.273 344 L C -0.470 176.489 176.870 0.148 0.000 0.989 344 L CA -0.165 54.735 54.840 0.100 0.000 0.841 344 L CB 0.942 43.057 42.059 0.094 0.000 1.225 344 L HN 0.600 nan 8.230 nan 0.000 0.414 345 N N 4.013 122.675 118.700 -0.064 0.000 2.716 345 N HA -0.228 4.512 4.740 0.000 0.000 0.250 345 N C 0.991 176.316 175.510 -0.309 0.000 1.033 345 N CA 1.366 54.113 53.050 -0.505 0.000 0.727 345 N CB -1.189 36.796 38.487 -0.836 0.000 0.950 345 N HN 1.129 nan 8.380 nan 0.000 0.541 346 G N -2.048 106.795 108.800 0.071 0.000 2.212 346 G HA2 -0.367 3.593 3.960 0.000 0.000 0.266 346 G HA3 -0.367 3.593 3.960 0.000 0.000 0.266 346 G C -0.005 174.955 174.900 0.099 0.000 0.978 346 G CA 0.902 46.099 45.100 0.161 0.000 0.632 346 G HN 0.438 nan 8.290 nan 0.000 0.537 347 K N 1.009 121.464 120.400 0.092 0.000 2.138 347 K HA 0.504 4.824 4.320 0.000 0.000 0.263 347 K C -2.773 173.816 176.600 -0.019 0.000 0.965 347 K CA -2.147 54.148 56.287 0.014 0.000 0.868 347 K CB 2.103 34.554 32.500 -0.081 0.000 1.083 347 K HN 0.035 nan 8.250 nan 0.000 0.443 348 P HA 0.173 nan 4.420 nan 0.000 0.276 348 P C 0.137 177.385 177.300 -0.087 0.000 1.253 348 P CA -0.170 62.896 63.100 -0.056 0.000 0.766 348 P CB 0.487 32.157 31.700 -0.051 0.000 0.845 349 L N 3.297 124.464 121.223 -0.093 0.000 2.476 349 L HA 0.219 4.559 4.340 0.000 0.000 0.264 349 L C 0.582 177.392 176.870 -0.100 0.000 1.224 349 L CA -0.253 54.525 54.840 -0.105 0.000 0.821 349 L CB 0.247 42.214 42.059 -0.154 0.000 1.101 349 L HN 0.267 nan 8.230 nan 0.000 0.488 350 L N 3.271 124.458 121.223 -0.059 0.000 2.529 350 L HA 0.365 4.706 4.340 0.000 0.000 0.258 350 L C -0.457 176.397 176.870 -0.026 0.000 1.032 350 L CA -0.179 54.615 54.840 -0.076 0.000 0.899 350 L CB 0.818 42.868 42.059 -0.016 0.000 1.174 350 L HN 0.225 nan 8.230 nan 0.000 0.458 351 I N 4.187 124.669 120.570 -0.148 0.000 2.483 351 I HA 0.106 4.276 4.170 0.000 0.000 0.291 351 I C 0.418 176.496 176.117 -0.066 0.000 1.112 351 I CA 0.237 61.456 61.300 -0.136 0.000 1.350 351 I CB 0.002 37.800 38.000 -0.337 0.000 1.419 351 I HN 0.550 nan 8.210 nan 0.000 0.523 352 R N 4.974 125.527 120.500 0.089 0.000 2.522 352 R HA 0.571 4.912 4.340 0.000 0.000 0.290 352 R C 0.408 176.764 176.300 0.093 0.000 1.216 352 R CA -0.256 55.928 56.100 0.141 0.000 1.250 352 R CB 1.099 31.340 30.300 -0.099 0.000 1.143 352 R HN 0.791 nan 8.270 nan 0.000 0.553 353 G N -0.077 108.784 108.800 0.102 0.000 2.766 353 G HA2 0.610 4.570 3.960 0.000 0.000 0.288 353 G HA3 0.610 4.570 3.960 0.000 0.000 0.288 353 G C -1.668 173.593 174.900 0.602 0.000 1.408 353 G CA -0.567 44.742 45.100 0.349 0.000 0.852 353 G HN 0.253 nan 8.290 nan 0.000 0.487 354 V N -0.335 119.982 119.914 0.671 0.000 2.925 354 V HA 0.554 4.674 4.120 0.000 0.000 0.311 354 V C -0.826 175.488 176.094 0.367 0.000 1.104 354 V CA -1.192 61.407 62.300 0.498 0.000 0.954 354 V CB 2.038 33.933 31.823 0.121 0.000 1.022 354 V HN 0.760 nan 8.190 nan 0.000 0.427 355 N N 3.993 122.850 118.700 0.263 0.000 2.508 355 N HA 0.374 5.114 4.740 0.000 0.000 0.264 355 N C -0.585 174.820 175.510 -0.175 0.000 1.216 355 N CA -0.072 53.001 53.050 0.038 0.000 0.943 355 N CB 0.967 39.553 38.487 0.164 0.000 1.113 355 N HN 0.678 nan 8.380 nan 0.000 0.447 356 R N 1.538 121.881 120.500 -0.261 0.000 2.508 356 R HA 0.225 4.565 4.340 0.000 0.000 0.283 356 R C -1.490 174.638 176.300 -0.286 0.000 1.120 356 R CA -0.532 55.424 56.100 -0.241 0.000 0.958 356 R CB 0.745 30.888 30.300 -0.262 0.000 1.215 356 R HN 0.634 nan 8.270 nan 0.000 0.427 357 H N 1.150 120.119 119.070 -0.170 0.000 2.508 357 H HA 0.251 4.807 4.556 0.000 0.000 0.344 357 H C -0.471 174.870 175.328 0.023 0.000 1.192 357 H CA -0.282 55.743 56.048 -0.037 0.000 1.290 357 H CB 1.559 31.349 29.762 0.046 0.000 1.571 357 H HN 0.423 nan 8.280 nan 0.000 0.555 358 E N 1.676 122.053 120.200 0.294 0.000 1.993 358 E HA 0.120 4.470 4.350 0.000 0.000 0.271 358 E C -0.980 175.758 176.600 0.229 0.000 1.008 358 E CA -0.233 56.263 56.400 0.161 0.000 0.814 358 E CB 0.554 30.340 29.700 0.143 0.000 1.098 358 E HN 0.410 nan 8.360 nan 0.000 0.407 359 H N 1.514 120.643 119.070 0.098 0.000 2.717 359 H HA 0.311 4.867 4.556 0.000 0.000 0.366 359 H C -1.565 173.828 175.328 0.109 0.000 1.132 359 H CA -0.634 55.468 56.048 0.089 0.000 1.180 359 H CB 1.237 31.044 29.762 0.075 0.000 1.678 359 H HN 0.380 nan 8.280 nan 0.000 0.537 360 H N 5.811 124.477 119.070 -0.673 0.000 2.840 360 H HA 0.202 4.758 4.556 0.000 0.000 0.340 360 H C -2.279 172.633 175.328 -0.692 0.000 1.004 360 H CA -2.301 53.435 56.048 -0.519 0.000 1.288 360 H CB 2.406 32.049 29.762 -0.199 0.000 1.607 360 H HN 0.512 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.415 178.602 177.300 -0.189 0.000 1.157 361 P CA 1.200 64.081 63.100 -0.366 0.000 0.880 361 P CB 0.545 32.041 31.700 -0.341 0.000 0.791 362 L N -2.792 118.428 121.223 -0.006 0.000 2.354 362 L HA 0.047 4.387 4.340 0.000 0.000 0.212 362 L C 2.052 178.826 176.870 -0.161 0.000 1.091 362 L CA 0.930 55.694 54.840 -0.126 0.000 0.828 362 L CB -0.731 41.147 42.059 -0.302 0.000 0.973 362 L HN 0.063 nan 8.230 nan 0.000 0.461 363 H N -1.118 117.980 119.070 0.046 0.000 2.652 363 H HA 0.341 4.898 4.556 0.000 0.000 0.274 363 H C 1.434 176.662 175.328 -0.168 0.000 1.021 363 H CA 0.086 56.022 56.048 -0.187 0.000 1.187 363 H CB 0.587 30.102 29.762 -0.412 0.000 1.505 363 H HN 0.303 nan 8.280 nan 0.000 0.530 364 G N 1.578 110.326 108.800 -0.086 0.000 2.523 364 G HA2 -0.407 3.553 3.960 0.000 0.000 0.271 364 G HA3 -0.407 3.553 3.960 0.000 0.000 0.271 364 G C 0.698 175.553 174.900 -0.074 0.000 1.146 364 G CA 0.434 45.445 45.100 -0.148 0.000 0.961 364 G HN 0.430 nan 8.290 nan 0.000 0.549 365 Q N -0.088 119.655 119.800 -0.095 0.000 2.425 365 Q HA 0.412 4.752 4.340 0.000 0.000 0.204 365 Q C 1.077 177.107 176.000 0.049 0.000 0.933 365 Q CA 0.311 56.069 55.803 -0.076 0.000 0.939 365 Q CB 0.542 29.106 28.738 -0.289 0.000 1.044 365 Q HN 0.440 nan 8.270 nan 0.000 0.513 366 V N 2.017 121.963 119.914 0.054 0.000 2.637 366 V HA 0.027 4.147 4.120 0.000 0.000 0.296 366 V C 0.280 176.387 176.094 0.022 0.000 1.046 366 V CA 0.384 62.728 62.300 0.073 0.000 1.066 366 V CB 0.658 32.464 31.823 -0.029 0.000 0.968 366 V HN 0.312 nan 8.190 nan 0.000 0.483 367 M N 4.691 124.287 119.600 -0.006 0.000 2.705 367 M HA 0.586 5.067 4.480 0.000 0.000 0.311 367 M C -0.515 175.681 176.300 -0.172 0.000 1.214 367 M CA -0.519 54.738 55.300 -0.071 0.000 0.920 367 M CB 2.034 34.585 32.600 -0.082 0.000 1.687 367 M HN 0.880 nan 8.290 nan 0.000 0.481 368 D N -0.763 119.569 120.400 -0.113 0.000 2.602 368 D HA 0.184 4.824 4.640 0.000 0.000 0.236 368 D C -0.025 176.263 176.300 -0.021 0.000 1.209 368 D CA -0.470 53.473 54.000 -0.095 0.000 0.831 368 D CB 1.854 42.630 40.800 -0.039 0.000 1.478 368 D HN 0.690 nan 8.370 nan 0.000 0.438 369 E N 0.205 120.406 120.200 0.003 0.000 2.114 369 E HA -0.285 4.065 4.350 0.000 0.000 0.199 369 E C 1.577 178.236 176.600 0.099 0.000 1.008 369 E CA 1.927 58.369 56.400 0.070 0.000 0.810 369 E CB 0.223 29.974 29.700 0.086 0.000 0.739 369 E HN 0.418 nan 8.360 nan 0.000 0.456 370 Q N -0.445 119.409 119.800 0.090 0.000 1.948 370 Q HA -0.158 4.182 4.340 0.000 0.000 0.205 370 Q C 2.394 178.467 176.000 0.121 0.000 0.992 370 Q CA 2.128 57.994 55.803 0.104 0.000 0.849 370 Q CB -0.462 28.338 28.738 0.103 0.000 0.918 370 Q HN 0.322 nan 8.270 nan 0.000 0.421 371 T N 1.726 116.362 114.554 0.138 0.000 2.565 371 T HA -0.281 4.069 4.350 0.000 0.000 0.265 371 T C 1.917 176.719 174.700 0.170 0.000 1.082 371 T CA 1.896 64.093 62.100 0.162 0.000 1.173 371 T CB -0.416 68.567 68.868 0.191 0.000 0.864 371 T HN 0.227 nan 8.240 nan 0.000 0.425 372 M N 0.302 120.010 119.600 0.181 0.000 2.151 372 M HA -0.193 4.287 4.480 0.000 0.000 0.256 372 M C 2.450 178.898 176.300 0.247 0.000 1.072 372 M CA 1.783 57.264 55.300 0.301 0.000 1.090 372 M CB -0.696 32.096 32.600 0.320 0.000 1.294 372 M HN 0.111 nan 8.290 nan 0.000 0.415 373 V N -0.157 119.843 119.914 0.143 0.000 2.324 373 V HA -0.338 3.783 4.120 0.000 0.000 0.250 373 V C 2.229 178.321 176.094 -0.003 0.000 1.060 373 V CA 2.048 64.365 62.300 0.028 0.000 1.042 373 V CB -0.867 30.995 31.823 0.064 0.000 0.650 373 V HN 0.557 nan 8.190 nan 0.000 0.450 374 Q N -0.404 119.446 119.800 0.083 0.000 2.002 374 Q HA -0.258 4.083 4.340 0.000 0.000 0.204 374 Q C 2.189 178.275 176.000 0.144 0.000 0.988 374 Q CA 2.149 58.015 55.803 0.105 0.000 0.843 374 Q CB -0.218 28.599 28.738 0.133 0.000 0.908 374 Q HN 0.641 nan 8.270 nan 0.000 0.420 375 D N 0.285 120.810 120.400 0.209 0.000 2.133 375 D HA -0.199 4.441 4.640 0.000 0.000 0.195 375 D C 1.911 178.225 176.300 0.022 0.000 0.997 375 D CA 1.162 55.311 54.000 0.249 0.000 0.840 375 D CB -0.296 40.655 40.800 0.252 0.000 0.947 375 D HN 0.319 nan 8.370 nan 0.000 0.452 376 I N 0.485 121.037 120.570 -0.030 0.000 2.194 376 I HA -0.289 3.881 4.170 0.000 0.000 0.246 376 I C 2.326 178.326 176.117 -0.194 0.000 1.093 376 I CA 0.862 62.035 61.300 -0.211 0.000 1.355 376 I CB -0.121 37.651 38.000 -0.381 0.000 1.046 376 I HN -0.029 nan 8.210 nan 0.000 0.413 377 L N -0.354 120.793 121.223 -0.126 0.000 2.093 377 L HA -0.184 4.156 4.340 0.000 0.000 0.208 377 L C 2.381 179.331 176.870 0.132 0.000 1.085 377 L CA 1.194 56.038 54.840 0.008 0.000 0.755 377 L CB -0.596 41.480 42.059 0.028 0.000 0.904 377 L HN 0.193 nan 8.230 nan 0.000 0.435 378 L N -1.048 120.287 121.223 0.188 0.000 2.012 378 L HA -0.254 4.086 4.340 0.000 0.000 0.210 378 L C 2.675 179.736 176.870 0.320 0.000 1.073 378 L CA 1.520 56.555 54.840 0.325 0.000 0.748 378 L CB -0.489 41.883 42.059 0.522 0.000 0.891 378 L HN 0.315 nan 8.230 nan 0.000 0.431 379 M N -0.527 119.126 119.600 0.089 0.000 2.065 379 M HA -0.243 4.237 4.480 0.000 0.000 0.259 379 M C 2.356 178.742 176.300 0.144 0.000 1.071 379 M CA 1.837 57.108 55.300 -0.047 0.000 1.109 379 M CB -0.564 31.806 32.600 -0.383 0.000 1.313 379 M HN 0.112 nan 8.290 nan 0.000 0.408 380 K N 0.241 120.623 120.400 -0.030 0.000 2.063 380 K HA -0.204 4.116 4.320 0.000 0.000 0.208 380 K C 2.011 178.583 176.600 -0.047 0.000 1.048 380 K CA 1.578 57.727 56.287 -0.230 0.000 0.928 380 K CB -0.312 31.881 32.500 -0.513 0.000 0.713 380 K HN 0.504 nan 8.250 nan 0.000 0.442 381 Q N 0.268 120.207 119.800 0.231 0.000 2.167 381 Q HA -0.038 4.302 4.340 0.000 0.000 0.202 381 Q C 1.033 177.305 176.000 0.452 0.000 0.970 381 Q CA 0.769 56.811 55.803 0.399 0.000 0.855 381 Q CB 0.116 29.088 28.738 0.390 0.000 0.911 381 Q HN 0.273 nan 8.270 nan 0.000 0.438 382 N N 0.727 119.674 118.700 0.411 0.000 2.346 382 N HA 0.023 4.764 4.740 0.000 0.000 0.225 382 N C -0.562 175.128 175.510 0.300 0.000 1.144 382 N CA 0.052 53.360 53.050 0.429 0.000 0.837 382 N CB 0.493 39.301 38.487 0.535 0.000 1.069 382 N HN 0.196 nan 8.380 nan 0.000 0.487 383 N N -0.313 118.508 118.700 0.202 0.000 2.925 383 N HA -0.175 4.565 4.740 0.000 0.000 0.244 383 N C -0.634 174.761 175.510 -0.192 0.000 1.000 383 N CA 0.681 53.715 53.050 -0.026 0.000 0.895 383 N CB -1.663 36.672 38.487 -0.254 0.000 1.119 383 N HN 0.213 nan 8.380 nan 0.000 0.569 384 F N 0.964 120.919 119.950 0.009 0.000 2.450 384 F HA 0.190 4.717 4.527 0.000 0.000 0.339 384 F C 1.932 177.728 175.800 -0.005 0.000 1.146 384 F CA 0.307 58.307 58.000 0.001 0.000 1.267 384 F CB 0.446 39.429 39.000 -0.029 0.000 1.178 384 F HN -0.010 nan 8.300 nan 0.000 0.585 385 N N -0.095 118.709 118.700 0.172 0.000 2.445 385 N HA 0.467 5.207 4.740 0.000 0.000 0.204 385 N C -0.761 174.794 175.510 0.074 0.000 1.098 385 N CA 0.150 53.263 53.050 0.105 0.000 0.859 385 N CB 0.508 39.107 38.487 0.186 0.000 1.249 385 N HN 0.624 nan 8.380 nan 0.000 0.462 386 A N 0.267 123.221 122.820 0.222 0.000 2.608 386 A HA 0.574 4.894 4.320 0.000 0.000 0.292 386 A C -1.952 175.903 177.584 0.451 0.000 1.066 386 A CA -0.383 51.854 52.037 0.332 0.000 0.676 386 A CB 1.538 20.841 19.000 0.506 0.000 1.277 386 A HN -0.049 nan 8.150 nan 0.000 0.413 387 V N 0.690 120.856 119.914 0.419 0.000 2.914 387 V HA 0.826 4.946 4.120 0.000 0.000 0.314 387 V C -0.427 175.765 176.094 0.164 0.000 1.084 387 V CA -0.784 61.712 62.300 0.326 0.000 0.963 387 V CB 1.922 33.892 31.823 0.245 0.000 1.025 387 V HN 1.014 nan 8.190 nan 0.000 0.432 388 R N 4.255 124.718 120.500 -0.062 0.000 2.393 388 R HA 0.417 4.757 4.340 0.000 0.000 0.315 388 R C -0.777 175.420 176.300 -0.171 0.000 0.952 388 R CA -0.545 55.382 56.100 -0.289 0.000 0.842 388 R CB 1.032 30.924 30.300 -0.680 0.000 1.163 388 R HN 0.804 nan 8.270 nan 0.000 0.450 389 C N 4.111 123.338 119.300 -0.121 0.000 3.329 389 C HA 0.056 4.516 4.460 0.000 0.000 0.537 389 C C 0.854 175.636 174.990 -0.348 0.000 1.034 389 C CA -0.346 58.555 59.018 -0.195 0.000 1.086 389 C CB -2.227 25.499 27.740 -0.023 0.000 1.392 389 C HN 0.680 nan 8.230 nan 0.000 0.612 390 S N 1.545 116.979 115.700 -0.443 0.000 2.457 390 S HA 0.143 4.613 4.470 0.000 0.000 0.294 390 S C -0.189 173.565 174.600 -1.410 0.000 1.201 390 S CA 0.240 58.031 58.200 -0.681 0.000 1.112 390 S CB -0.085 62.706 63.200 -0.681 0.000 1.018 390 S HN 0.719 nan 8.310 nan 0.000 0.511 391 H N 3.826 122.256 119.070 -1.067 0.000 2.514 391 H HA 0.338 4.894 4.556 0.000 0.000 0.226 391 H C -0.998 174.178 175.328 -0.253 0.000 1.421 391 H CA -0.499 55.299 56.048 -0.416 0.000 1.394 391 H CB -0.298 29.418 29.762 -0.077 0.000 1.701 391 H HN 0.875 nan 8.280 nan 0.000 0.515 392 Y N -2.485 117.920 120.300 0.174 0.000 2.810 392 Y HA 0.454 5.004 4.550 0.000 0.000 0.355 392 Y C -3.354 172.652 175.900 0.177 0.000 1.211 392 Y CA -2.881 55.323 58.100 0.174 0.000 1.112 392 Y CB 0.063 38.624 38.460 0.170 0.000 1.383 392 Y HN -0.086 nan 8.280 nan 0.000 0.458 393 P HA 0.243 nan 4.420 nan 0.000 0.275 393 P C -0.694 176.895 177.300 0.483 0.000 1.227 393 P CA 0.012 63.361 63.100 0.415 0.000 0.781 393 P CB 0.710 32.590 31.700 0.300 0.000 0.906 394 N N 0.107 119.098 118.700 0.485 0.000 2.538 394 N HA 0.100 4.840 4.740 0.000 0.000 0.292 394 N C 0.066 175.754 175.510 0.297 0.000 1.262 394 N CA -0.622 52.594 53.050 0.278 0.000 0.976 394 N CB 0.327 38.737 38.487 -0.129 0.000 1.161 394 N HN 0.585 nan 8.380 nan 0.000 0.598 395 H N 1.584 120.726 119.070 0.119 0.000 2.964 395 H HA 0.012 4.568 4.556 0.000 0.000 0.328 395 H C -1.713 173.757 175.328 0.236 0.000 1.030 395 H CA -0.823 55.312 56.048 0.146 0.000 1.445 395 H CB 1.077 30.900 29.762 0.101 0.000 1.449 395 H HN 0.375 nan 8.280 nan 0.000 0.581 396 P HA -0.233 nan 4.420 nan 0.000 0.218 396 P C 1.741 179.201 177.300 0.267 0.000 1.152 396 P CA 0.799 63.974 63.100 0.124 0.000 0.857 396 P CB 0.159 31.808 31.700 -0.085 0.000 0.787 397 L N -1.338 120.090 121.223 0.341 0.000 2.201 397 L HA -0.073 4.267 4.340 0.000 0.000 0.212 397 L C 2.156 179.212 176.870 0.311 0.000 1.105 397 L CA 1.455 56.537 54.840 0.403 0.000 0.775 397 L CB -1.467 40.893 42.059 0.502 0.000 0.913 397 L HN 0.102 nan 8.230 nan 0.000 0.440 398 W N -0.528 120.814 121.300 0.069 0.000 2.363 398 W HA -0.307 4.353 4.660 0.000 0.000 0.296 398 W C 1.978 178.323 176.519 -0.290 0.000 1.212 398 W CA 1.730 58.980 57.345 -0.159 0.000 1.260 398 W CB -0.260 28.997 29.460 -0.339 0.000 1.131 398 W HN 0.296 nan 8.180 nan 0.000 0.530 399 Y N 1.008 121.253 120.300 -0.092 0.000 2.242 399 Y HA -0.192 4.358 4.550 0.000 0.000 0.291 399 Y C 2.837 178.489 175.900 -0.413 0.000 1.137 399 Y CA 2.122 59.932 58.100 -0.483 0.000 1.181 399 Y CB -1.302 36.560 38.460 -0.997 0.000 0.989 399 Y HN -0.222 nan 8.280 nan 0.000 0.527 400 T N 0.920 115.453 114.554 -0.035 0.000 2.684 400 T HA -0.200 4.150 4.350 0.000 0.000 0.267 400 T C 2.030 176.756 174.700 0.043 0.000 1.036 400 T CA 1.561 63.729 62.100 0.112 0.000 1.148 400 T CB -0.779 68.200 68.868 0.186 0.000 0.863 400 T HN 0.236 nan 8.240 nan 0.000 0.436 401 L N 0.590 121.807 121.223 -0.009 0.000 2.013 401 L HA -0.177 4.164 4.340 0.000 0.000 0.212 401 L C 2.972 179.827 176.870 -0.025 0.000 1.073 401 L CA 1.265 56.118 54.840 0.022 0.000 0.753 401 L CB -0.882 41.189 42.059 0.020 0.000 0.890 401 L HN 0.413 nan 8.230 nan 0.000 0.432 402 C N -0.738 118.395 119.300 -0.279 0.000 2.435 402 C HA -0.120 4.340 4.460 0.000 0.000 0.279 402 C C 2.395 177.457 174.990 0.120 0.000 1.321 402 C CA 0.068 58.975 59.018 -0.184 0.000 1.752 402 C CB -0.842 26.696 27.740 -0.336 0.000 1.959 402 C HN 0.532 nan 8.230 nan 0.000 0.500 403 D N 0.773 121.252 120.400 0.132 0.000 2.104 403 D HA -0.118 4.522 4.640 0.000 0.000 0.194 403 D C 2.383 178.919 176.300 0.393 0.000 0.994 403 D CA 1.403 55.566 54.000 0.271 0.000 0.830 403 D CB -0.261 40.647 40.800 0.180 0.000 0.959 403 D HN 0.465 nan 8.370 nan 0.000 0.452 404 R N -1.051 119.543 120.500 0.157 0.000 2.075 404 R HA -0.008 4.332 4.340 0.000 0.000 0.226 404 R C 2.348 178.581 176.300 -0.112 0.000 1.114 404 R CA 0.669 56.772 56.100 0.005 0.000 0.972 404 R CB -0.350 29.869 30.300 -0.136 0.000 0.869 404 R HN 0.249 nan 8.270 nan 0.000 0.437 405 Y N -0.579 119.732 120.300 0.019 0.000 2.206 405 Y HA 0.164 4.714 4.550 0.000 0.000 0.292 405 Y C 1.132 176.957 175.900 -0.124 0.000 1.123 405 Y CA 1.343 59.420 58.100 -0.037 0.000 1.142 405 Y CB 0.234 38.650 38.460 -0.075 0.000 1.006 405 Y HN 0.247 nan 8.280 nan 0.000 0.518 406 G N 0.378 109.185 108.800 0.011 0.000 2.602 406 G HA2 0.010 3.970 3.960 0.000 0.000 0.291 406 G HA3 0.010 3.970 3.960 0.000 0.000 0.291 406 G C -1.280 173.442 174.900 -0.297 0.000 0.988 406 G CA -0.684 44.278 45.100 -0.230 0.000 1.295 406 G HN 0.138 nan 8.290 nan 0.000 0.630 407 L N 1.064 122.189 121.223 -0.164 0.000 2.493 407 L HA 0.440 4.780 4.340 0.000 0.000 0.265 407 L C -0.495 176.363 176.870 -0.020 0.000 0.954 407 L CA -1.319 53.395 54.840 -0.211 0.000 0.844 407 L CB 1.911 43.880 42.059 -0.149 0.000 1.302 407 L HN 0.328 nan 8.230 nan 0.000 0.405 408 Y N 2.515 122.940 120.300 0.208 0.000 2.465 408 Y HA 0.278 4.828 4.550 0.000 0.000 0.331 408 Y C 0.444 176.472 175.900 0.215 0.000 1.102 408 Y CA -0.427 57.825 58.100 0.255 0.000 1.358 408 Y CB 0.438 39.036 38.460 0.231 0.000 1.213 408 Y HN 0.123 nan 8.280 nan 0.000 0.525 409 V N 3.878 123.985 119.914 0.322 0.000 2.850 409 V HA 0.475 4.595 4.120 0.000 0.000 0.315 409 V C -0.365 175.818 176.094 0.148 0.000 1.064 409 V CA -1.051 61.386 62.300 0.229 0.000 0.979 409 V CB 2.127 34.073 31.823 0.204 0.000 1.039 409 V HN 0.440 nan 8.190 nan 0.000 0.452 410 V N 2.271 122.237 119.914 0.087 0.000 2.289 410 V HA 0.285 4.405 4.120 0.000 0.000 0.272 410 V C -0.383 175.737 176.094 0.043 0.000 1.026 410 V CA -0.545 61.753 62.300 -0.003 0.000 0.807 410 V CB 1.187 32.931 31.823 -0.131 0.000 1.044 410 V HN 0.881 nan 8.190 nan 0.000 0.443 411 D N 3.631 124.068 120.400 0.062 0.000 2.424 411 D HA 0.206 4.846 4.640 0.000 0.000 0.244 411 D C 0.016 176.458 176.300 0.237 0.000 1.134 411 D CA 0.556 54.678 54.000 0.204 0.000 0.881 411 D CB 1.057 41.986 40.800 0.216 0.000 1.191 411 D HN 0.697 nan 8.370 nan 0.000 0.445 412 E N 1.121 121.454 120.200 0.222 0.000 2.256 412 E HA 0.591 4.941 4.350 0.000 0.000 0.268 412 E C -1.388 175.335 176.600 0.205 0.000 0.877 412 E CA -1.045 55.468 56.400 0.189 0.000 0.757 412 E CB 1.353 31.114 29.700 0.102 0.000 1.183 412 E HN 0.403 nan 8.360 nan 0.000 0.418 413 A N 3.567 126.505 122.820 0.197 0.000 2.425 413 A HA 0.137 4.457 4.320 0.000 0.000 0.249 413 A C 0.389 178.094 177.584 0.202 0.000 1.084 413 A CA -0.337 51.807 52.037 0.179 0.000 0.781 413 A CB 0.223 19.299 19.000 0.128 0.000 1.019 413 A HN 0.713 nan 8.150 nan 0.000 0.490 414 N N 1.122 119.957 118.700 0.226 0.000 3.117 414 N HA 0.110 4.850 4.740 0.000 0.000 0.323 414 N C -0.922 174.720 175.510 0.221 0.000 1.245 414 N CA 0.439 53.651 53.050 0.269 0.000 1.191 414 N CB -0.998 37.651 38.487 0.270 0.000 1.451 414 N HN 0.505 nan 8.380 nan 0.000 0.555 415 I N 0.416 121.107 120.570 0.202 0.000 2.447 415 I HA 0.305 4.475 4.170 0.000 0.000 0.287 415 I C -0.396 175.830 176.117 0.181 0.000 1.023 415 I CA -0.679 60.728 61.300 0.178 0.000 1.083 415 I CB 1.852 39.934 38.000 0.136 0.000 1.245 415 I HN 0.149 nan 8.210 nan 0.000 0.434 416 E N 3.934 124.241 120.200 0.178 0.000 2.291 416 E HA 0.378 4.728 4.350 0.000 0.000 0.276 416 E C -0.553 176.128 176.600 0.135 0.000 0.896 416 E CA -0.504 55.980 56.400 0.141 0.000 0.774 416 E CB 1.584 31.371 29.700 0.145 0.000 1.227 416 E HN 0.630 nan 8.360 nan 0.000 0.413 417 T N 0.453 115.068 114.554 0.102 0.000 3.296 417 T HA 0.144 4.494 4.350 0.000 0.000 0.285 417 T C 1.040 175.790 174.700 0.084 0.000 1.014 417 T CA -0.120 62.061 62.100 0.136 0.000 0.920 417 T CB -0.343 68.576 68.868 0.086 0.000 1.143 417 T HN 0.668 nan 8.240 nan 0.000 0.522 418 H N 1.872 120.878 119.070 -0.107 0.000 2.266 418 H HA -0.166 4.390 4.556 0.000 0.000 0.286 418 H C 2.283 177.482 175.328 -0.215 0.000 1.102 418 H CA 1.727 57.666 56.048 -0.181 0.000 1.182 418 H CB -0.427 29.192 29.762 -0.238 0.000 1.345 418 H HN 0.548 nan 8.280 nan 0.000 0.485 419 G N 0.440 109.105 108.800 -0.225 0.000 2.916 419 G HA2 -0.038 3.922 3.960 0.000 0.000 0.205 419 G HA3 -0.038 3.922 3.960 0.000 0.000 0.205 419 G C 0.315 175.294 174.900 0.132 0.000 1.163 419 G CA -0.038 44.951 45.100 -0.186 0.000 0.821 419 G HN 0.193 nan 8.290 nan 0.000 0.515 420 M N -0.144 119.567 119.600 0.185 0.000 2.267 420 M HA 0.395 4.875 4.480 0.000 0.000 0.303 420 M C -0.516 175.821 176.300 0.060 0.000 1.164 420 M CA -0.305 55.092 55.300 0.161 0.000 1.060 420 M CB 1.721 34.377 32.600 0.093 0.000 1.455 420 M HN -0.208 nan 8.290 nan 0.000 0.483 421 V N 2.464 122.395 119.914 0.028 0.000 2.524 421 V HA 0.330 4.450 4.120 0.000 0.000 0.297 421 V C -2.155 173.931 176.094 -0.013 0.000 1.035 421 V CA -1.275 61.027 62.300 0.003 0.000 0.867 421 V CB 1.838 33.662 31.823 0.001 0.000 1.004 421 V HN 0.695 nan 8.190 nan 0.000 0.426 422 P HA 0.320 nan 4.420 nan 0.000 0.286 422 P C 1.231 178.522 177.300 -0.015 0.000 1.293 422 P CA -0.506 62.584 63.100 -0.017 0.000 0.770 422 P CB 0.616 32.306 31.700 -0.016 0.000 1.206 423 M N -0.370 119.219 119.600 -0.018 0.000 2.279 423 M HA -0.165 4.315 4.480 0.000 0.000 0.264 423 M C 1.720 178.016 176.300 -0.006 0.000 1.062 423 M CA 1.550 56.839 55.300 -0.018 0.000 1.099 423 M CB -0.753 31.814 32.600 -0.056 0.000 1.394 423 M HN 0.387 nan 8.290 nan 0.000 0.426 424 N N -0.028 118.669 118.700 -0.004 0.000 2.120 424 N HA -0.210 4.530 4.740 0.000 0.000 0.188 424 N C 1.568 177.037 175.510 -0.069 0.000 1.024 424 N CA 0.886 53.929 53.050 -0.012 0.000 0.852 424 N CB -0.010 38.468 38.487 -0.014 0.000 1.003 424 N HN 0.262 nan 8.380 nan 0.000 0.424 425 R N 0.585 121.039 120.500 -0.077 0.000 2.398 425 R HA -0.261 4.079 4.340 0.000 0.000 0.233 425 R C 1.852 178.024 176.300 -0.214 0.000 1.022 425 R CA 2.122 58.148 56.100 -0.123 0.000 0.855 425 R CB -0.474 29.761 30.300 -0.108 0.000 0.962 425 R HN 0.278 nan 8.270 nan 0.000 0.416 426 L N -1.724 119.304 121.223 -0.323 0.000 2.316 426 L HA 0.053 4.393 4.340 0.000 0.000 0.207 426 L C 2.532 179.232 176.870 -0.283 0.000 1.070 426 L CA 0.952 55.469 54.840 -0.538 0.000 0.820 426 L CB -0.591 40.803 42.059 -1.108 0.000 0.992 426 L HN 0.415 nan 8.230 nan 0.000 0.466 427 T N -3.261 111.159 114.554 -0.224 0.000 2.822 427 T HA -0.252 4.098 4.350 0.000 0.000 0.270 427 T C 1.221 175.792 174.700 -0.216 0.000 1.064 427 T CA 1.854 63.805 62.100 -0.248 0.000 1.131 427 T CB -0.348 68.355 68.868 -0.274 0.000 0.858 427 T HN 0.159 nan 8.240 nan 0.000 0.483 428 D N 0.912 121.228 120.400 -0.140 0.000 2.402 428 D HA 0.185 4.825 4.640 0.000 0.000 0.216 428 D C -0.635 175.628 176.300 -0.062 0.000 1.128 428 D CA -0.329 53.608 54.000 -0.106 0.000 0.833 428 D CB 0.056 40.807 40.800 -0.081 0.000 0.971 428 D HN 0.335 nan 8.370 nan 0.000 0.503 429 D N -0.246 120.131 120.400 -0.038 0.000 2.381 429 D HA 0.180 4.820 4.640 0.000 0.000 0.235 429 D C -1.705 174.637 176.300 0.070 0.000 1.068 429 D CA -2.297 51.721 54.000 0.030 0.000 0.832 429 D CB 2.179 43.031 40.800 0.086 0.000 1.101 429 D HN -0.103 nan 8.370 nan 0.000 0.515 430 P HA -0.148 nan 4.420 nan 0.000 0.218 430 P C 0.965 178.265 177.300 -0.001 0.000 1.146 430 P CA 0.877 63.978 63.100 0.002 0.000 0.813 430 P CB 0.375 32.066 31.700 -0.015 0.000 0.778 431 R N -2.020 118.494 120.500 0.024 0.000 2.237 431 R HA -0.067 4.273 4.340 0.000 0.000 0.219 431 R C 1.524 177.695 176.300 -0.215 0.000 1.080 431 R CA 1.051 57.097 56.100 -0.091 0.000 0.995 431 R CB -0.633 29.598 30.300 -0.115 0.000 0.875 431 R HN 0.313 nan 8.270 nan 0.000 0.462 432 W N -0.846 120.390 121.300 -0.106 0.000 3.278 432 W HA 0.194 4.854 4.660 0.000 0.000 0.308 432 W C 1.213 177.665 176.519 -0.112 0.000 1.253 432 W CA -0.559 56.722 57.345 -0.107 0.000 1.759 432 W CB -0.040 29.354 29.460 -0.111 0.000 1.093 432 W HN 0.019 nan 8.180 nan 0.000 0.648 433 L N 2.299 123.535 121.223 0.022 0.000 2.012 433 L HA -0.094 4.246 4.340 0.000 0.000 0.210 433 L C -0.524 176.302 176.870 -0.074 0.000 1.073 433 L CA 2.299 57.115 54.840 -0.039 0.000 0.748 433 L CB -1.779 40.247 42.059 -0.056 0.000 0.891 433 L HN -0.217 nan 8.230 nan 0.000 0.431 434 P HA -0.189 nan 4.420 nan 0.000 0.213 434 P C 1.644 178.884 177.300 -0.099 0.000 1.170 434 P CA 2.347 65.379 63.100 -0.112 0.000 0.902 434 P CB -0.300 31.323 31.700 -0.128 0.000 0.789 435 A N -0.677 122.091 122.820 -0.086 0.000 1.908 435 A HA -0.224 4.096 4.320 0.000 0.000 0.218 435 A C 2.278 179.866 177.584 0.006 0.000 1.181 435 A CA 2.285 54.304 52.037 -0.030 0.000 0.627 435 A CB -1.534 17.455 19.000 -0.019 0.000 0.818 435 A HN 0.119 nan 8.150 nan 0.000 0.445 436 M N -0.224 119.383 119.600 0.013 0.000 2.229 436 M HA -0.118 4.363 4.480 0.000 0.000 0.264 436 M C 2.549 178.796 176.300 -0.089 0.000 1.063 436 M CA 1.618 56.907 55.300 -0.018 0.000 1.114 436 M CB -0.436 32.130 32.600 -0.055 0.000 1.387 436 M HN 0.684 nan 8.290 nan 0.000 0.420 437 S N 0.585 116.206 115.700 -0.132 0.000 2.355 437 S HA -0.160 4.310 4.470 0.000 0.000 0.222 437 S C 1.688 176.137 174.600 -0.252 0.000 1.031 437 S CA 1.210 59.271 58.200 -0.232 0.000 0.993 437 S CB -0.391 62.652 63.200 -0.262 0.000 0.859 437 S HN 0.455 nan 8.310 nan 0.000 0.453 438 E N 0.650 120.746 120.200 -0.173 0.000 2.219 438 E HA -0.160 4.190 4.350 0.000 0.000 0.198 438 E C 2.351 178.878 176.600 -0.121 0.000 0.998 438 E CA 0.976 57.287 56.400 -0.148 0.000 0.818 438 E CB -0.093 29.551 29.700 -0.093 0.000 0.741 438 E HN 0.587 nan 8.360 nan 0.000 0.477 439 R N -0.310 120.139 120.500 -0.085 0.000 2.093 439 R HA -0.041 4.299 4.340 0.000 0.000 0.224 439 R C 2.402 178.665 176.300 -0.060 0.000 1.101 439 R CA 0.694 56.774 56.100 -0.034 0.000 0.979 439 R CB 0.030 30.347 30.300 0.029 0.000 0.877 439 R HN -0.011 nan 8.270 nan 0.000 0.441 440 V N 0.642 120.483 119.914 -0.122 0.000 2.346 440 V HA -0.204 3.916 4.120 0.000 0.000 0.244 440 V C 2.474 178.425 176.094 -0.239 0.000 1.037 440 V CA 2.209 64.424 62.300 -0.142 0.000 1.029 440 V CB -0.581 31.158 31.823 -0.140 0.000 0.663 440 V HN 0.534 nan 8.190 nan 0.000 0.454 441 T N 0.228 114.531 114.554 -0.419 0.000 2.684 441 T HA -0.265 4.085 4.350 0.000 0.000 0.267 441 T C 1.893 176.463 174.700 -0.217 0.000 1.036 441 T CA 1.618 63.409 62.100 -0.515 0.000 1.148 441 T CB -0.502 67.868 68.868 -0.830 0.000 0.863 441 T HN 0.504 nan 8.240 nan 0.000 0.436 442 R N 0.835 121.230 120.500 -0.175 0.000 2.148 442 R HA 0.156 4.496 4.340 0.000 0.000 0.227 442 R C 2.692 178.936 176.300 -0.094 0.000 1.103 442 R CA 1.407 57.439 56.100 -0.113 0.000 0.983 442 R CB -0.636 29.605 30.300 -0.098 0.000 0.874 442 R HN 0.525 nan 8.270 nan 0.000 0.451 443 M N 1.052 120.603 119.600 -0.082 0.000 2.077 443 M HA -0.124 4.356 4.480 0.000 0.000 0.261 443 M C 1.919 178.172 176.300 -0.077 0.000 1.070 443 M CA 1.724 57.005 55.300 -0.032 0.000 1.125 443 M CB -0.051 32.576 32.600 0.044 0.000 1.339 443 M HN -0.033 nan 8.290 nan 0.000 0.409 444 V N 1.553 121.316 119.914 -0.251 0.000 2.324 444 V HA -0.313 3.807 4.120 0.000 0.000 0.250 444 V C 2.419 178.414 176.094 -0.165 0.000 1.060 444 V CA 2.241 64.278 62.300 -0.439 0.000 1.042 444 V CB -1.234 30.255 31.823 -0.556 0.000 0.650 444 V HN 0.615 nan 8.190 nan 0.000 0.450 445 Q N -0.419 119.319 119.800 -0.104 0.000 2.135 445 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 445 Q C 2.497 178.430 176.000 -0.112 0.000 0.981 445 Q CA 1.832 57.584 55.803 -0.085 0.000 0.856 445 Q CB -0.245 28.469 28.738 -0.041 0.000 0.902 445 Q HN 0.620 nan 8.270 nan 0.000 0.425 446 R N 0.360 120.790 120.500 -0.117 0.000 2.112 446 R HA -0.074 4.266 4.340 0.000 0.000 0.216 446 R C 0.732 176.960 176.300 -0.120 0.000 1.080 446 R CA 1.151 57.159 56.100 -0.154 0.000 0.996 446 R CB 0.368 30.567 30.300 -0.169 0.000 0.902 446 R HN 0.140 nan 8.270 nan 0.000 0.449 447 D N 0.915 121.290 120.400 -0.041 0.000 2.346 447 D HA -0.051 4.589 4.640 0.000 0.000 0.206 447 D C 1.660 178.009 176.300 0.081 0.000 1.001 447 D CA 0.447 54.442 54.000 -0.008 0.000 0.871 447 D CB 0.018 40.708 40.800 -0.183 0.000 0.943 447 D HN 0.353 nan 8.370 nan 0.000 0.518 448 R N 1.223 121.804 120.500 0.135 0.000 2.244 448 R HA -0.109 4.231 4.340 0.000 0.000 0.252 448 R C 1.071 177.332 176.300 -0.066 0.000 1.177 448 R CA 1.236 57.408 56.100 0.120 0.000 1.004 448 R CB -0.630 29.689 30.300 0.030 0.000 0.873 448 R HN 0.064 nan 8.270 nan 0.000 0.469 449 N N 0.103 118.686 118.700 -0.196 0.000 2.280 449 N HA -0.017 4.723 4.740 0.000 0.000 0.192 449 N C -0.475 174.819 175.510 -0.360 0.000 1.109 449 N CA 0.136 53.014 53.050 -0.287 0.000 0.855 449 N CB 0.156 38.432 38.487 -0.351 0.000 0.974 449 N HN 0.338 nan 8.380 nan 0.000 0.482 450 H N 1.469 120.445 119.070 -0.156 0.000 2.800 450 H HA 0.116 4.672 4.556 0.000 0.000 0.291 450 H C -1.246 173.916 175.328 -0.277 0.000 1.076 450 H CA -1.306 54.640 56.048 -0.171 0.000 1.452 450 H CB 1.494 31.196 29.762 -0.100 0.000 1.461 450 H HN -0.001 nan 8.280 nan 0.000 0.488 451 P HA -0.213 nan 4.420 nan 0.000 0.216 451 P C 1.704 178.566 177.300 -0.730 0.000 1.153 451 P CA 1.745 64.460 63.100 -0.641 0.000 0.858 451 P CB 0.213 31.260 31.700 -1.089 0.000 0.789 452 S N -0.803 114.579 115.700 -0.530 0.000 2.380 452 S HA -0.124 4.346 4.470 0.000 0.000 0.229 452 S C 1.078 175.684 174.600 0.010 0.000 1.043 452 S CA 1.031 59.141 58.200 -0.149 0.000 1.038 452 S CB -1.865 61.371 63.200 0.060 0.000 0.872 452 S HN -0.028 nan 8.310 nan 0.000 0.456 453 V N 3.904 123.786 119.914 -0.053 0.000 2.421 453 V HA 0.214 4.334 4.120 0.000 0.000 0.271 453 V C 1.105 177.065 176.094 -0.223 0.000 1.031 453 V CA 0.219 62.436 62.300 -0.138 0.000 1.032 453 V CB -0.036 31.617 31.823 -0.283 0.000 1.009 453 V HN 0.647 nan 8.190 nan 0.000 0.477 454 I N 2.482 122.972 120.570 -0.134 0.000 4.181 454 I HA 0.481 4.651 4.170 0.000 0.000 0.331 454 I C 0.393 176.397 176.117 -0.188 0.000 1.312 454 I CA 0.540 61.762 61.300 -0.129 0.000 1.146 454 I CB 0.437 38.427 38.000 -0.017 0.000 1.074 454 I HN 0.289 nan 8.210 nan 0.000 0.402 455 I N 0.268 120.693 120.570 -0.241 0.000 2.722 455 I HA 0.341 4.511 4.170 0.000 0.000 0.295 455 I C -1.631 174.350 176.117 -0.227 0.000 1.161 455 I CA -0.423 60.775 61.300 -0.170 0.000 1.032 455 I CB 1.936 39.925 38.000 -0.018 0.000 1.244 455 I HN 0.047 nan 8.210 nan 0.000 0.421 456 W N 3.365 124.708 121.300 0.071 0.000 2.496 456 W HA 0.563 5.223 4.660 0.000 0.000 0.327 456 W C 0.431 177.004 176.519 0.091 0.000 1.086 456 W CA -0.639 56.752 57.345 0.076 0.000 1.222 456 W CB 1.742 31.246 29.460 0.074 0.000 1.304 456 W HN 0.390 nan 8.180 nan 0.000 0.547 457 S N 2.898 118.808 115.700 0.351 0.000 2.500 457 S HA 0.411 4.881 4.470 0.000 0.000 0.301 457 S C 0.201 174.951 174.600 0.250 0.000 1.092 457 S CA -0.728 57.624 58.200 0.253 0.000 1.030 457 S CB 0.856 64.146 63.200 0.151 0.000 1.031 457 S HN 0.571 nan 8.310 nan 0.000 0.483 458 L N 3.923 125.285 121.223 0.232 0.000 2.610 458 L HA 0.379 4.719 4.340 0.000 0.000 0.232 458 L C 1.467 178.412 176.870 0.125 0.000 1.149 458 L CA 0.479 55.393 54.840 0.125 0.000 0.872 458 L CB -1.216 40.829 42.059 -0.023 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.254 108.685 108.800 0.231 0.000 2.247 459 G HA2 -0.086 3.874 3.960 0.000 0.000 0.229 459 G HA3 -0.086 3.874 3.960 0.000 0.000 0.229 459 G C -1.769 173.243 174.900 0.187 0.000 1.345 459 G CA -0.655 44.577 45.100 0.219 0.000 1.100 459 G HN 0.108 nan 8.290 nan 0.000 0.473 460 N N 1.143 119.915 118.700 0.121 0.000 2.324 460 N HA 0.446 5.186 4.740 0.000 0.000 0.285 460 N C -0.352 175.091 175.510 -0.112 0.000 1.076 460 N CA 0.135 53.097 53.050 -0.146 0.000 0.864 460 N CB 1.518 39.665 38.487 -0.567 0.000 1.632 460 N HN 0.890 nan 8.380 nan 0.000 0.478 461 E N 0.884 120.917 120.200 -0.278 0.000 1.757 461 E HA -0.220 4.130 4.350 0.000 0.000 0.182 461 E C -0.812 175.666 176.600 -0.204 0.000 1.337 461 E CA 0.639 56.820 56.400 -0.366 0.000 0.563 461 E CB -1.530 27.734 29.700 -0.726 0.000 1.024 461 E HN 0.378 nan 8.360 nan 0.000 0.278 462 S N 0.425 116.140 115.700 0.025 0.000 2.937 462 S HA 0.403 4.873 4.470 0.000 0.000 0.252 462 S C 0.738 175.470 174.600 0.219 0.000 1.022 462 S CA -0.021 58.270 58.200 0.152 0.000 1.079 462 S CB 1.389 64.769 63.200 0.299 0.000 1.035 462 S HN 0.996 nan 8.310 nan 0.000 0.594 463 G N 1.922 110.785 108.800 0.106 0.000 2.641 463 G HA2 -0.255 3.705 3.960 0.000 0.000 0.254 463 G HA3 -0.255 3.705 3.960 0.000 0.000 0.254 463 G C -0.587 174.512 174.900 0.331 0.000 1.315 463 G CA -0.177 44.999 45.100 0.126 0.000 0.907 463 G HN 0.584 nan 8.290 nan 0.000 0.572 464 H N 0.593 119.777 119.070 0.191 0.000 2.800 464 H HA 0.574 5.130 4.556 0.000 0.000 0.322 464 H C 0.293 175.762 175.328 0.236 0.000 0.979 464 H CA 0.087 56.295 56.048 0.267 0.000 1.277 464 H CB 0.679 30.529 29.762 0.148 0.000 1.484 464 H HN 1.074 nan 8.280 nan 0.000 0.512 465 G N 1.609 110.359 108.800 -0.082 0.000 2.537 465 G HA2 0.451 4.411 3.960 0.000 0.000 0.308 465 G HA3 0.451 4.411 3.960 0.000 0.000 0.308 465 G C 0.672 175.331 174.900 -0.401 0.000 1.237 465 G CA -0.131 44.800 45.100 -0.281 0.000 0.968 465 G HN 0.679 nan 8.290 nan 0.000 0.481 466 A N 0.923 123.589 122.820 -0.258 0.000 1.958 466 A HA -0.171 4.149 4.320 0.000 0.000 0.221 466 A C 2.157 179.666 177.584 -0.124 0.000 1.178 466 A CA 2.193 54.137 52.037 -0.155 0.000 0.642 466 A CB -0.524 18.427 19.000 -0.083 0.000 0.816 466 A HN 0.586 nan 8.150 nan 0.000 0.453 467 N N -0.370 118.220 118.700 -0.184 0.000 2.272 467 N HA -0.156 4.584 4.740 0.000 0.000 0.185 467 N C 1.313 176.725 175.510 -0.163 0.000 1.014 467 N CA 1.723 54.663 53.050 -0.184 0.000 0.870 467 N CB -0.759 37.593 38.487 -0.225 0.000 0.975 467 N HN 0.814 nan 8.380 nan 0.000 0.433 468 H N 0.300 119.286 119.070 -0.140 0.000 2.326 468 H HA 0.002 4.559 4.556 0.000 0.000 0.301 468 H C 1.205 176.552 175.328 0.033 0.000 1.081 468 H CA 1.121 57.095 56.048 -0.123 0.000 1.334 468 H CB 0.176 29.826 29.762 -0.187 0.000 1.385 468 H HN 0.162 nan 8.280 nan 0.000 0.504 469 D N 0.443 120.952 120.400 0.181 0.000 2.149 469 D HA -0.143 4.497 4.640 0.000 0.000 0.198 469 D C 2.222 178.654 176.300 0.219 0.000 0.990 469 D CA 1.121 55.255 54.000 0.223 0.000 0.839 469 D CB -0.259 40.643 40.800 0.171 0.000 0.948 469 D HN 0.434 nan 8.370 nan 0.000 0.460 470 A N 0.700 123.593 122.820 0.121 0.000 1.873 470 A HA -0.089 4.231 4.320 0.000 0.000 0.215 470 A C 2.368 180.034 177.584 0.137 0.000 1.186 470 A CA 0.821 52.920 52.037 0.104 0.000 0.616 470 A CB -0.723 18.298 19.000 0.035 0.000 0.823 470 A HN 0.187 nan 8.150 nan 0.000 0.442 471 L N -1.887 119.402 121.223 0.110 0.000 2.291 471 L HA -0.105 4.235 4.340 0.000 0.000 0.214 471 L C 2.458 179.447 176.870 0.198 0.000 1.120 471 L CA 1.133 56.043 54.840 0.117 0.000 0.799 471 L CB -0.519 41.547 42.059 0.011 0.000 0.925 471 L HN 0.618 nan 8.230 nan 0.000 0.446 472 Y N 0.369 120.731 120.300 0.102 0.000 2.133 472 Y HA -0.173 4.377 4.550 0.000 0.000 0.287 472 Y C 2.835 178.794 175.900 0.098 0.000 1.134 472 Y CA 1.318 59.479 58.100 0.102 0.000 1.133 472 Y CB -0.124 38.398 38.460 0.104 0.000 0.987 472 Y HN -0.093 nan 8.280 nan 0.000 0.502 473 R N -0.076 120.416 120.500 -0.013 0.000 2.083 473 R HA -0.250 4.090 4.340 0.000 0.000 0.237 473 R C 2.110 178.349 176.300 -0.102 0.000 1.137 473 R CA 1.964 57.993 56.100 -0.117 0.000 0.951 473 R CB -1.597 28.733 30.300 0.050 0.000 0.851 473 R HN 0.637 nan 8.270 nan 0.000 0.434 474 W N 1.426 122.651 121.300 -0.124 0.000 2.290 474 W HA -0.284 4.376 4.660 0.000 0.000 0.328 474 W C 2.068 178.477 176.519 -0.185 0.000 1.272 474 W CA 2.432 59.699 57.345 -0.129 0.000 1.262 474 W CB -0.637 28.758 29.460 -0.109 0.000 1.151 474 W HN 0.052 nan 8.180 nan 0.000 0.473 475 I N 0.497 121.039 120.570 -0.047 0.000 2.127 475 I HA -0.413 3.757 4.170 0.000 0.000 0.241 475 I C 2.561 178.470 176.117 -0.347 0.000 1.075 475 I CA 1.650 62.788 61.300 -0.270 0.000 1.334 475 I CB -0.935 36.940 38.000 -0.208 0.000 1.040 475 I HN -0.058 nan 8.210 nan 0.000 0.405 476 K N 0.938 121.137 120.400 -0.335 0.000 2.077 476 K HA -0.193 4.127 4.320 0.000 0.000 0.213 476 K C 2.260 178.704 176.600 -0.260 0.000 1.051 476 K CA 1.993 58.096 56.287 -0.306 0.000 0.929 476 K CB -0.692 31.568 32.500 -0.400 0.000 0.715 476 K HN 0.347 nan 8.250 nan 0.000 0.451 477 S N 0.752 116.264 115.700 -0.313 0.000 2.335 477 S HA -0.075 4.395 4.470 0.000 0.000 0.217 477 S C 2.282 176.662 174.600 -0.367 0.000 1.032 477 S CA 1.146 59.165 58.200 -0.302 0.000 0.985 477 S CB -0.428 62.583 63.200 -0.315 0.000 0.896 477 S HN 0.014 nan 8.310 nan 0.000 0.445 478 V N 1.689 121.238 119.914 -0.608 0.000 2.392 478 V HA -0.108 4.012 4.120 0.000 0.000 0.249 478 V C 0.623 176.468 176.094 -0.415 0.000 1.059 478 V CA 1.654 63.566 62.300 -0.647 0.000 1.051 478 V CB -0.446 30.662 31.823 -1.192 0.000 0.658 478 V HN 0.469 nan 8.190 nan 0.000 0.455 479 D N -1.422 118.775 120.400 -0.339 0.000 2.736 479 D HA 0.310 4.950 4.640 0.000 0.000 0.243 479 D C -2.625 173.626 176.300 -0.082 0.000 1.304 479 D CA -1.829 52.072 54.000 -0.164 0.000 0.934 479 D CB 2.244 42.999 40.800 -0.076 0.000 1.382 479 D HN 0.037 nan 8.370 nan 0.000 0.571 480 P HA 0.154 nan 4.420 nan 0.000 0.291 480 P C 0.516 177.830 177.300 0.023 0.000 1.388 480 P CA -0.007 63.078 63.100 -0.025 0.000 1.061 480 P CB 0.385 32.058 31.700 -0.045 0.000 1.534 481 S N -1.007 114.719 115.700 0.044 0.000 2.631 481 S HA 0.221 4.691 4.470 0.000 0.000 0.217 481 S C 0.741 175.379 174.600 0.063 0.000 0.958 481 S CA -0.199 58.035 58.200 0.056 0.000 0.920 481 S CB -0.213 63.013 63.200 0.043 0.000 0.776 481 S HN 0.002 nan 8.310 nan 0.000 0.517 482 R N 0.870 121.426 120.500 0.094 0.000 2.626 482 R HA 0.480 4.821 4.340 0.000 0.000 0.274 482 R C -3.289 173.084 176.300 0.122 0.000 1.031 482 R CA -1.931 54.204 56.100 0.059 0.000 0.898 482 R CB 1.514 31.803 30.300 -0.019 0.000 1.222 482 R HN 0.110 nan 8.270 nan 0.000 0.455 483 P HA 0.128 nan 4.420 nan 0.000 0.272 483 P C -0.846 176.579 177.300 0.208 0.000 1.240 483 P CA -0.415 62.762 63.100 0.129 0.000 0.791 483 P CB 0.669 32.422 31.700 0.088 0.000 0.978 484 V N 1.820 121.889 119.914 0.258 0.000 2.540 484 V HA 0.407 4.527 4.120 0.000 0.000 0.302 484 V C -0.008 176.262 176.094 0.293 0.000 1.035 484 V CA -0.293 62.209 62.300 0.337 0.000 0.873 484 V CB 1.373 33.434 31.823 0.396 0.000 0.992 484 V HN 0.650 nan 8.190 nan 0.000 0.428 485 Q N 4.336 124.277 119.800 0.234 0.000 2.423 485 Q HA 0.818 5.158 4.340 0.000 0.000 0.278 485 Q C -1.785 174.326 176.000 0.185 0.000 1.097 485 Q CA -0.895 54.997 55.803 0.147 0.000 0.809 485 Q CB 2.931 31.713 28.738 0.074 0.000 1.391 485 Q HN 0.645 nan 8.270 nan 0.000 0.428 486 Y N 0.159 120.422 120.300 -0.061 0.000 2.480 486 Y HA 0.220 4.770 4.550 0.000 0.000 0.329 486 Y C -0.467 175.334 175.900 -0.166 0.000 1.127 486 Y CA -0.718 57.313 58.100 -0.115 0.000 1.037 486 Y CB 2.250 40.628 38.460 -0.136 0.000 1.320 486 Y HN 0.934 nan 8.280 nan 0.000 0.446 487 E N 3.250 122.858 120.200 -0.986 0.000 2.216 487 E HA 0.152 4.502 4.350 0.000 0.000 0.192 487 E C 0.723 176.859 176.600 -0.773 0.000 0.973 487 E CA 0.758 56.730 56.400 -0.713 0.000 0.851 487 E CB 0.160 29.560 29.700 -0.499 0.000 0.804 487 E HN 0.927 nan 8.360 nan 0.000 0.477 488 G N 0.310 108.318 108.800 -1.319 0.000 2.614 488 G HA2 0.091 4.052 3.960 0.000 0.000 0.229 488 G HA3 0.091 4.052 3.960 0.000 0.000 0.229 488 G C 0.811 175.583 174.900 -0.212 0.000 1.232 488 G CA 0.464 45.194 45.100 -0.616 0.000 0.857 488 G HN 0.389 nan 8.290 nan 0.000 0.560 489 G N -0.329 108.421 108.800 -0.083 0.000 2.341 489 G HA2 0.224 4.184 3.960 0.000 0.000 0.292 489 G HA3 0.224 4.184 3.960 0.000 0.000 0.292 489 G C 1.316 176.198 174.900 -0.030 0.000 1.021 489 G CA 1.214 46.309 45.100 -0.007 0.000 0.905 489 G HN 2.612 nan 8.290 nan 0.000 0.508 490 G N -1.886 106.891 108.800 -0.037 0.000 2.260 490 G HA2 0.380 4.340 3.960 0.000 0.000 0.179 490 G HA3 0.380 4.340 3.960 0.000 0.000 0.179 490 G C 1.136 176.104 174.900 0.114 0.000 1.002 490 G CA 1.243 46.379 45.100 0.060 0.000 0.677 490 G HN 2.303 nan 8.290 nan 0.000 0.486 491 A N -0.043 122.732 122.820 -0.075 0.000 3.768 491 A HA -0.193 4.128 4.320 0.000 0.000 0.270 491 A C 1.175 178.662 177.584 -0.162 0.000 1.019 491 A CA 2.782 54.715 52.037 -0.173 0.000 1.058 491 A CB -1.788 17.072 19.000 -0.233 0.000 1.085 491 A HN 2.006 nan 8.150 nan 0.000 0.857 492 D N -1.019 119.365 120.400 -0.027 0.000 2.620 492 D HA 0.308 4.948 4.640 0.000 0.000 0.260 492 D C 0.548 176.819 176.300 -0.048 0.000 1.367 492 D CA 0.824 54.815 54.000 -0.016 0.000 0.805 492 D CB -1.176 39.738 40.800 0.190 0.000 1.096 492 D HN 0.834 nan 8.370 nan 0.000 0.488 493 T N -1.974 112.495 114.554 -0.142 0.000 2.652 493 T HA 0.111 4.461 4.350 0.000 0.000 0.319 493 T C 1.598 176.163 174.700 -0.225 0.000 1.029 493 T CA 0.657 62.609 62.100 -0.247 0.000 0.990 493 T CB 0.594 69.122 68.868 -0.568 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.045 112.364 114.554 -0.242 0.000 3.113 494 T HA 0.238 4.589 4.350 0.000 0.000 0.263 494 T C 1.607 176.067 174.700 -0.400 0.000 1.143 494 T CA 0.336 62.315 62.100 -0.200 0.000 1.090 494 T CB -0.406 68.421 68.868 -0.068 0.000 0.922 494 T HN 0.834 nan 8.240 nan 0.000 0.521 495 A N 0.600 123.188 122.820 -0.387 0.000 2.415 495 A HA 0.511 4.831 4.320 0.000 0.000 0.248 495 A C 0.787 178.051 177.584 -0.532 0.000 1.299 495 A CA -0.315 51.386 52.037 -0.560 0.000 0.899 495 A CB -0.004 18.979 19.000 -0.028 0.000 0.997 495 A HN 0.387 nan 8.150 nan 0.000 0.506 496 T N -1.322 112.974 114.554 -0.429 0.000 2.952 496 T HA 0.342 4.692 4.350 0.000 0.000 0.305 496 T C -0.490 174.162 174.700 -0.080 0.000 1.064 496 T CA -0.458 61.553 62.100 -0.147 0.000 1.008 496 T CB 1.185 70.008 68.868 -0.076 0.000 1.078 496 T HN 0.115 nan 8.240 nan 0.000 0.459 497 D N 2.868 123.314 120.400 0.076 0.000 2.317 497 D HA 0.221 4.861 4.640 0.000 0.000 0.211 497 D C 0.408 176.716 176.300 0.015 0.000 0.966 497 D CA 0.847 54.899 54.000 0.087 0.000 0.876 497 D CB 0.411 41.304 40.800 0.156 0.000 0.927 497 D HN 0.522 nan 8.370 nan 0.000 0.519 498 I N 1.022 121.580 120.570 -0.018 0.000 2.608 498 I HA 0.211 4.381 4.170 0.000 0.000 0.295 498 I C -0.112 175.921 176.117 -0.139 0.000 1.049 498 I CA -0.874 60.384 61.300 -0.070 0.000 1.063 498 I CB 2.913 40.883 38.000 -0.051 0.000 1.248 498 I HN -0.311 nan 8.210 nan 0.000 0.424 499 I N 5.245 125.689 120.570 -0.210 0.000 2.505 499 I HA 0.119 4.289 4.170 0.000 0.000 0.287 499 I C -0.129 175.772 176.117 -0.360 0.000 1.104 499 I CA -0.173 60.915 61.300 -0.355 0.000 1.387 499 I CB -0.086 37.603 38.000 -0.519 0.000 1.404 499 I HN 0.629 nan 8.210 nan 0.000 0.528 500 C N 5.649 124.746 119.300 -0.339 0.000 3.002 500 C HA 0.523 4.983 4.460 0.000 0.000 0.248 500 C C -2.434 172.380 174.990 -0.294 0.000 1.153 500 C CA -2.203 56.652 59.018 -0.272 0.000 1.502 500 C CB 0.020 27.656 27.740 -0.173 0.000 1.805 500 C HN 0.447 nan 8.230 nan 0.000 0.450 501 P HA 0.463 nan 4.420 nan 0.000 0.278 501 P C -0.490 176.711 177.300 -0.165 0.000 1.258 501 P CA -0.153 62.806 63.100 -0.235 0.000 0.811 501 P CB 0.912 32.498 31.700 -0.191 0.000 1.063 502 M N 0.344 119.857 119.600 -0.144 0.000 2.227 502 M HA 0.465 4.945 4.480 0.000 0.000 0.335 502 M C -0.978 175.245 176.300 -0.129 0.000 1.053 502 M CA -0.677 54.425 55.300 -0.330 0.000 0.973 502 M CB 1.058 33.381 32.600 -0.462 0.000 1.623 502 M HN 0.249 nan 8.290 nan 0.000 0.434 503 Y N -0.218 120.221 120.300 0.232 0.000 3.689 503 Y HA -0.167 4.383 4.550 0.000 0.000 0.221 503 Y C 0.230 176.304 175.900 0.290 0.000 1.247 503 Y CA 0.526 58.790 58.100 0.275 0.000 1.671 503 Y CB -2.533 36.087 38.460 0.266 0.000 1.521 503 Y HN 0.951 nan 8.280 nan 0.000 0.632 504 A N 1.047 124.088 122.820 0.369 0.000 2.327 504 A HA 0.716 5.036 4.320 0.000 0.000 0.283 504 A C 0.730 178.535 177.584 0.368 0.000 1.127 504 A CA -0.820 51.438 52.037 0.369 0.000 0.810 504 A CB 0.623 19.880 19.000 0.428 0.000 1.066 504 A HN 0.341 nan 8.150 nan 0.000 0.492 505 R N 1.637 122.289 120.500 0.254 0.000 2.583 505 R HA 0.283 4.623 4.340 0.000 0.000 0.268 505 R C 0.788 177.101 176.300 0.022 0.000 1.101 505 R CA -0.665 55.526 56.100 0.152 0.000 1.180 505 R CB 0.308 30.658 30.300 0.084 0.000 1.128 505 R HN 0.436 nan 8.270 nan 0.000 0.568 506 V N 0.569 120.358 119.914 -0.208 0.000 2.358 506 V HA -0.181 3.940 4.120 0.000 0.000 0.246 506 V C 0.978 176.993 176.094 -0.133 0.000 1.047 506 V CA 1.903 64.042 62.300 -0.268 0.000 1.035 506 V CB -0.314 31.225 31.823 -0.475 0.000 0.658 506 V HN 0.765 nan 8.190 nan 0.000 0.452 507 D N -1.752 118.595 120.400 -0.088 0.000 2.525 507 D HA 0.142 4.782 4.640 0.000 0.000 0.231 507 D C 0.558 176.852 176.300 -0.010 0.000 1.216 507 D CA -0.007 53.966 54.000 -0.045 0.000 0.813 507 D CB 1.166 41.938 40.800 -0.046 0.000 1.108 507 D HN 0.408 nan 8.370 nan 0.000 0.524 508 E N 1.856 122.056 120.200 -0.000 0.000 2.151 508 E HA 0.149 4.499 4.350 0.000 0.000 0.275 508 E C -0.995 175.614 176.600 0.015 0.000 0.936 508 E CA -0.554 55.850 56.400 0.006 0.000 0.777 508 E CB 1.445 31.147 29.700 0.003 0.000 1.108 508 E HN -0.097 nan 8.360 nan 0.000 0.401 509 D N 3.056 123.466 120.400 0.016 0.000 2.304 509 D HA 0.116 4.756 4.640 0.000 0.000 0.247 509 D C -0.483 175.733 176.300 -0.140 0.000 1.089 509 D CA 0.047 54.051 54.000 0.007 0.000 0.910 509 D CB 1.080 41.958 40.800 0.130 0.000 1.199 509 D HN 0.325 nan 8.370 nan 0.000 0.426 510 Q N 1.667 121.285 119.800 -0.304 0.000 2.454 510 Q HA 0.299 4.639 4.340 0.000 0.000 0.255 510 Q C -2.253 173.207 176.000 -0.900 0.000 1.034 510 Q CA -1.723 53.728 55.803 -0.586 0.000 0.736 510 Q CB 2.050 30.445 28.738 -0.571 0.000 1.210 510 Q HN 0.113 nan 8.270 nan 0.000 0.500 511 P HA 0.001 nan 4.420 nan 0.000 0.237 511 P C -0.774 176.229 177.300 -0.495 0.000 1.723 511 P CA -0.127 62.611 63.100 -0.603 0.000 0.882 511 P CB -0.477 31.046 31.700 -0.295 0.000 1.810 512 F N 2.080 121.881 119.950 -0.249 0.000 2.545 512 F HA 0.150 4.678 4.527 0.000 0.000 0.348 512 F C -1.234 174.463 175.800 -0.172 0.000 1.163 512 F CA -2.329 55.570 58.000 -0.169 0.000 1.331 512 F CB -1.090 37.826 39.000 -0.140 0.000 1.138 512 F HN 0.044 nan 8.300 nan 0.000 0.602 513 P HA 0.225 nan 4.420 nan 0.000 0.276 513 P C 0.260 177.574 177.300 0.023 0.000 1.230 513 P CA 0.734 63.855 63.100 0.035 0.000 0.776 513 P CB 1.289 33.008 31.700 0.032 0.000 0.888 514 A N 3.101 125.923 122.820 0.003 0.000 3.925 514 A HA -0.235 4.085 4.320 0.000 0.000 0.247 514 A C 0.665 178.246 177.584 -0.005 0.000 0.630 514 A CA 2.085 54.125 52.037 0.005 0.000 1.174 514 A CB -2.647 16.358 19.000 0.008 0.000 1.222 514 A HN 0.581 nan 8.150 nan 0.000 0.676 515 V N -3.289 116.618 119.914 -0.011 0.000 2.464 515 V HA 0.544 4.664 4.120 0.000 0.000 0.255 515 V C -2.782 173.296 176.094 -0.026 0.000 0.946 515 V CA -1.295 60.994 62.300 -0.018 0.000 0.988 515 V CB 0.617 32.429 31.823 -0.018 0.000 1.210 515 V HN 0.286 nan 8.190 nan 0.000 0.523 516 P HA 0.371 nan 4.420 nan 0.000 0.274 516 P C -0.480 176.422 177.300 -0.663 0.000 1.237 516 P CA -0.061 62.706 63.100 -0.555 0.000 0.793 516 P CB 0.735 31.695 31.700 -1.233 0.000 0.977 517 K N 1.838 121.889 120.400 -0.581 0.000 2.478 517 K HA 0.207 4.527 4.320 0.000 0.000 0.236 517 K C -0.590 175.745 176.600 -0.441 0.000 1.021 517 K CA -0.283 55.815 56.287 -0.316 0.000 1.010 517 K CB 0.410 32.988 32.500 0.130 0.000 1.331 517 K HN 0.496 nan 8.250 nan 0.000 0.470 518 W N 1.407 122.388 121.300 -0.531 0.000 2.079 518 W HA 0.001 4.661 4.660 0.000 0.000 0.354 518 W C 1.407 177.907 176.519 -0.033 0.000 1.302 518 W CA -0.486 56.634 57.345 -0.375 0.000 1.281 518 W CB 0.388 29.439 29.460 -0.681 0.000 1.165 518 W HN 0.378 nan 8.180 nan 0.000 0.603 519 S N 3.132 118.989 115.700 0.261 0.000 2.549 519 S HA -0.029 4.441 4.470 0.000 0.000 0.286 519 S C 1.202 175.948 174.600 0.245 0.000 1.314 519 S CA -0.392 57.914 58.200 0.178 0.000 1.062 519 S CB 0.162 63.411 63.200 0.081 0.000 0.865 519 S HN 0.534 nan 8.310 nan 0.000 0.498 520 I N 1.603 122.301 120.570 0.213 0.000 2.399 520 I HA -0.211 3.959 4.170 0.000 0.000 0.254 520 I C 1.773 177.930 176.117 0.067 0.000 1.146 520 I CA 1.442 62.858 61.300 0.194 0.000 1.412 520 I CB -0.473 37.599 38.000 0.121 0.000 1.076 520 I HN 0.614 nan 8.210 nan 0.000 0.432 521 K N 1.740 122.113 120.400 -0.044 0.000 2.186 521 K HA -0.074 4.246 4.320 0.000 0.000 0.202 521 K C 2.228 178.850 176.600 0.037 0.000 1.052 521 K CA 1.280 57.487 56.287 -0.133 0.000 0.965 521 K CB -0.136 32.212 32.500 -0.252 0.000 0.746 521 K HN 0.472 nan 8.250 nan 0.000 0.457 522 K N 0.495 120.929 120.400 0.057 0.000 2.167 522 K HA -0.140 4.180 4.320 0.000 0.000 0.203 522 K C 1.706 178.318 176.600 0.020 0.000 1.052 522 K CA 0.531 56.822 56.287 0.007 0.000 0.956 522 K CB -0.081 32.373 32.500 -0.075 0.000 0.735 522 K HN 0.139 nan 8.250 nan 0.000 0.451 523 W N 2.334 123.620 121.300 -0.024 0.000 2.311 523 W HA -0.222 4.438 4.660 0.000 0.000 0.326 523 W C 1.847 178.346 176.519 -0.034 0.000 1.239 523 W CA 1.450 58.792 57.345 -0.006 0.000 1.258 523 W CB -0.938 28.588 29.460 0.111 0.000 1.165 523 W HN 0.089 nan 8.180 nan 0.000 0.466 524 L N 0.756 122.151 121.223 0.286 0.000 2.151 524 L HA -0.341 3.999 4.340 0.000 0.000 0.219 524 L C 2.367 179.301 176.870 0.107 0.000 1.083 524 L CA 2.298 57.226 54.840 0.145 0.000 0.782 524 L CB -1.154 40.979 42.059 0.124 0.000 0.891 524 L HN 0.113 nan 8.230 nan 0.000 0.439 525 S N -1.494 114.255 115.700 0.082 0.000 2.540 525 S HA 0.195 4.665 4.470 0.000 0.000 0.218 525 S C 0.667 175.251 174.600 -0.026 0.000 0.977 525 S CA -0.568 57.648 58.200 0.026 0.000 0.918 525 S CB -0.194 63.017 63.200 0.018 0.000 0.806 525 S HN 0.207 nan 8.310 nan 0.000 0.496 526 L N 2.272 123.469 121.223 -0.042 0.000 2.499 526 L HA 0.254 4.594 4.340 0.000 0.000 0.281 526 L C -2.113 174.724 176.870 -0.054 0.000 1.234 526 L CA -1.708 53.062 54.840 -0.116 0.000 0.839 526 L CB -0.390 41.567 42.059 -0.171 0.000 1.104 526 L HN 0.093 nan 8.230 nan 0.000 0.500 527 P HA -0.002 nan 4.420 nan 0.000 0.260 527 P C 0.771 178.063 177.300 -0.012 0.000 1.185 527 P CA 0.937 64.014 63.100 -0.038 0.000 0.763 527 P CB 0.504 32.177 31.700 -0.045 0.000 0.776 528 G N 1.716 110.515 108.800 -0.002 0.000 2.199 528 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 528 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 528 G C 0.276 175.188 174.900 0.020 0.000 0.982 528 G CA -0.095 45.011 45.100 0.009 0.000 0.632 528 G HN 0.609 nan 8.290 nan 0.000 0.529 529 E N 1.063 121.281 120.200 0.029 0.000 2.373 529 E HA 0.565 4.916 4.350 0.000 0.000 0.267 529 E C 1.466 178.084 176.600 0.031 0.000 1.032 529 E CA 0.667 57.094 56.400 0.046 0.000 0.889 529 E CB 0.868 30.620 29.700 0.087 0.000 0.984 529 E HN 0.630 nan 8.360 nan 0.000 0.425 530 T N 0.198 114.765 114.554 0.022 0.000 3.092 530 T HA 0.308 4.658 4.350 0.000 0.000 0.273 530 T C 0.617 175.319 174.700 0.002 0.000 0.898 530 T CA -0.411 61.697 62.100 0.013 0.000 0.868 530 T CB 0.148 69.024 68.868 0.013 0.000 1.228 530 T HN 0.242 nan 8.240 nan 0.000 0.555 531 R N 2.295 122.790 120.500 -0.008 0.000 2.738 531 R HA 0.488 4.828 4.340 0.000 0.000 0.275 531 R C -2.568 173.703 176.300 -0.048 0.000 1.121 531 R CA -1.697 54.387 56.100 -0.026 0.000 1.207 531 R CB -0.133 30.142 30.300 -0.041 0.000 1.141 531 R HN 0.238 nan 8.270 nan 0.000 0.571 532 P HA 0.102 nan 4.420 nan 0.000 0.282 532 P C -1.274 175.942 177.300 -0.140 0.000 1.249 532 P CA -0.375 62.672 63.100 -0.088 0.000 0.806 532 P CB 0.793 32.444 31.700 -0.083 0.000 0.984 533 L N 4.301 125.419 121.223 -0.175 0.000 2.313 533 L HA 0.554 4.894 4.340 0.000 0.000 0.283 533 L C -0.809 175.883 176.870 -0.296 0.000 1.013 533 L CA -0.711 53.982 54.840 -0.245 0.000 0.816 533 L CB -0.019 41.901 42.059 -0.231 0.000 1.236 533 L HN 0.322 nan 8.230 nan 0.000 0.419 534 I N 6.119 126.513 120.570 -0.292 0.000 2.563 534 I HA 0.217 4.387 4.170 0.000 0.000 0.285 534 I C -0.729 175.243 176.117 -0.242 0.000 1.123 534 I CA -0.616 60.493 61.300 -0.318 0.000 1.059 534 I CB 2.051 39.921 38.000 -0.216 0.000 1.229 534 I HN 0.444 nan 8.210 nan 0.000 0.442 535 L N 5.485 126.523 121.223 -0.308 0.000 2.462 535 L HA 0.020 4.360 4.340 0.000 0.000 0.272 535 L C 1.520 178.391 176.870 0.002 0.000 1.166 535 L CA -0.161 54.564 54.840 -0.192 0.000 0.880 535 L CB 0.608 42.506 42.059 -0.269 0.000 1.142 535 L HN 0.852 nan 8.230 nan 0.000 0.473 536 C N 0.414 119.715 119.300 0.002 0.000 2.467 536 C HA 0.117 4.577 4.460 0.000 0.000 0.279 536 C C 0.692 175.803 174.990 0.201 0.000 1.347 536 C CA -0.162 58.924 59.018 0.113 0.000 1.748 536 C CB -0.786 26.914 27.740 -0.067 0.000 1.977 536 C HN 0.799 nan 8.230 nan 0.000 0.501 537 E N 0.124 120.345 120.200 0.034 0.000 2.260 537 E HA 0.565 4.915 4.350 0.000 0.000 0.266 537 E C -1.322 175.253 176.600 -0.042 0.000 0.887 537 E CA -0.352 56.072 56.400 0.041 0.000 0.777 537 E CB 1.850 31.353 29.700 -0.328 0.000 1.205 537 E HN 0.625 nan 8.360 nan 0.000 0.414 538 Y N -0.558 119.785 120.300 0.071 0.000 2.677 538 Y HA 0.710 5.260 4.550 0.000 0.000 0.334 538 Y C -0.320 175.817 175.900 0.396 0.000 1.154 538 Y CA -1.967 56.211 58.100 0.130 0.000 1.070 538 Y CB 0.277 38.649 38.460 -0.147 0.000 1.294 538 Y HN 0.590 nan 8.280 nan 0.000 0.475 539 A N 1.279 124.172 122.820 0.123 0.000 2.136 539 A HA -0.290 4.030 4.320 0.000 0.000 0.274 539 A C -0.134 177.611 177.584 0.268 0.000 1.388 539 A CA 1.137 53.230 52.037 0.094 0.000 0.741 539 A CB -2.677 16.222 19.000 -0.168 0.000 1.173 539 A HN 1.124 nan 8.150 nan 0.000 0.329 540 H N 0.969 120.178 119.070 0.232 0.000 3.226 540 H HA 0.237 4.793 4.556 0.000 0.000 0.260 540 H C 1.283 176.678 175.328 0.111 0.000 0.967 540 H CA 0.203 56.394 56.048 0.238 0.000 1.435 540 H CB 0.355 30.116 29.762 -0.002 0.000 1.533 540 H HN 0.840 nan 8.280 nan 0.000 0.525 541 A N 6.447 129.358 122.820 0.153 0.000 2.604 541 A HA 0.017 4.337 4.320 0.000 0.000 0.248 541 A C 0.831 178.282 177.584 -0.221 0.000 1.466 541 A CA -0.245 51.743 52.037 -0.080 0.000 1.222 541 A CB -0.620 18.319 19.000 -0.101 0.000 0.945 541 A HN 0.786 nan 8.150 nan 0.000 0.600 542 M N 1.440 120.794 119.600 -0.410 0.000 2.350 542 M HA 0.329 4.809 4.480 0.000 0.000 0.338 542 M C 1.301 177.386 176.300 -0.359 0.000 1.559 542 M CA 1.213 56.252 55.300 -0.436 0.000 1.217 542 M CB -0.379 31.862 32.600 -0.598 0.000 1.808 542 M HN 0.815 nan 8.290 nan 0.000 0.458 543 G N 4.244 112.872 108.800 -0.286 0.000 2.591 543 G HA2 -0.353 3.607 3.960 0.000 0.000 0.298 543 G HA3 -0.353 3.607 3.960 0.000 0.000 0.298 543 G C -0.007 174.505 174.900 -0.646 0.000 1.195 543 G CA 0.155 44.996 45.100 -0.432 0.000 0.989 543 G HN 0.762 nan 8.290 nan 0.000 0.551 544 N N 1.490 119.607 118.700 -0.972 0.000 2.448 544 N HA 0.546 5.286 4.740 0.000 0.000 0.250 544 N C -0.088 175.141 175.510 -0.468 0.000 1.136 544 N CA 1.043 53.602 53.050 -0.818 0.000 0.953 544 N CB 0.616 38.581 38.487 -0.870 0.000 1.251 544 N HN 0.746 nan 8.380 nan 0.000 0.502 545 S N 1.919 117.432 115.700 -0.312 0.000 2.973 545 S HA 0.584 5.054 4.470 0.000 0.000 0.317 545 S C -0.497 174.010 174.600 -0.156 0.000 1.196 545 S CA -0.397 57.668 58.200 -0.225 0.000 0.894 545 S CB 0.127 63.206 63.200 -0.202 0.000 1.292 545 S HN 0.402 nan 8.310 nan 0.000 0.614 546 L N 0.337 121.500 121.223 -0.100 0.000 4.447 546 L HA -0.058 4.282 4.340 0.000 0.000 0.400 546 L C 0.411 177.292 176.870 0.018 0.000 1.110 546 L CA 0.891 55.696 54.840 -0.058 0.000 1.010 546 L CB -1.690 40.253 42.059 -0.194 0.000 2.154 546 L HN 0.713 nan 8.230 nan 0.000 0.685 547 G N -0.478 108.311 108.800 -0.018 0.000 2.346 547 G HA2 0.483 4.443 3.960 0.000 0.000 0.275 547 G HA3 0.483 4.443 3.960 0.000 0.000 0.275 547 G C 1.230 176.168 174.900 0.063 0.000 1.190 547 G CA 0.299 45.380 45.100 -0.031 0.000 1.015 547 G HN 1.435 nan 8.290 nan 0.000 0.441 548 G N 2.244 111.095 108.800 0.084 0.000 2.184 548 G HA2 -0.288 3.672 3.960 0.000 0.000 0.206 548 G HA3 -0.288 3.672 3.960 0.000 0.000 0.206 548 G C 1.041 176.122 174.900 0.302 0.000 0.995 548 G CA 0.537 45.732 45.100 0.158 0.000 0.651 548 G HN 0.722 nan 8.290 nan 0.000 0.511 549 F N 2.059 122.121 119.950 0.187 0.000 2.176 549 F HA -0.032 4.495 4.527 0.000 0.000 0.301 549 F C 2.674 178.653 175.800 0.298 0.000 1.071 549 F CA 2.712 60.882 58.000 0.283 0.000 1.289 549 F CB -0.343 38.748 39.000 0.152 0.000 1.028 549 F HN 0.399 nan 8.300 nan 0.000 0.494 550 A N -0.533 122.453 122.820 0.277 0.000 1.933 550 A HA -0.239 4.081 4.320 0.000 0.000 0.218 550 A C 2.295 179.916 177.584 0.061 0.000 1.175 550 A CA 1.729 53.861 52.037 0.159 0.000 0.628 550 A CB -0.751 18.339 19.000 0.151 0.000 0.814 550 A HN 0.411 nan 8.150 nan 0.000 0.444 551 K N -1.615 118.808 120.400 0.040 0.000 2.113 551 K HA -0.225 4.095 4.320 0.000 0.000 0.208 551 K C 1.753 178.190 176.600 -0.271 0.000 1.047 551 K CA 2.018 58.251 56.287 -0.089 0.000 0.928 551 K CB -0.335 32.100 32.500 -0.109 0.000 0.716 551 K HN 0.633 nan 8.250 nan 0.000 0.446 552 Y N -1.174 118.920 120.300 -0.344 0.000 2.163 552 Y HA -0.221 4.329 4.550 0.000 0.000 0.288 552 Y C 1.910 176.978 175.900 -1.387 0.000 1.136 552 Y CA 1.409 58.995 58.100 -0.856 0.000 1.147 552 Y CB -0.414 37.508 38.460 -0.896 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.390 121.251 121.300 -0.731 0.000 2.525 553 W HA -0.129 4.531 4.660 0.000 0.000 0.259 553 W C 2.497 178.815 176.519 -0.335 0.000 1.253 553 W CA 1.445 58.431 57.345 -0.599 0.000 1.262 553 W CB -0.299 28.905 29.460 -0.426 0.000 1.122 553 W HN 0.163 nan 8.180 nan 0.000 0.607 554 Q N 0.015 119.709 119.800 -0.176 0.000 2.250 554 Q HA -0.042 4.298 4.340 0.000 0.000 0.200 554 Q C 2.103 178.062 176.000 -0.067 0.000 0.941 554 Q CA 1.318 57.080 55.803 -0.069 0.000 0.872 554 Q CB -0.078 28.644 28.738 -0.027 0.000 0.965 554 Q HN 0.198 nan 8.270 nan 0.000 0.480 555 A N 0.847 123.557 122.820 -0.184 0.000 1.832 555 A HA -0.093 4.227 4.320 0.000 0.000 0.214 555 A C 1.689 179.264 177.584 -0.015 0.000 1.204 555 A CA 0.960 52.912 52.037 -0.143 0.000 0.606 555 A CB -0.916 17.899 19.000 -0.307 0.000 0.849 555 A HN 0.403 nan 8.150 nan 0.000 0.445 556 F N 0.731 120.501 119.950 -0.299 0.000 2.085 556 F HA -0.248 4.279 4.527 0.000 0.000 0.299 556 F C 2.509 178.210 175.800 -0.166 0.000 1.096 556 F CA 1.524 59.316 58.000 -0.346 0.000 1.227 556 F CB -1.192 37.382 39.000 -0.710 0.000 0.983 556 F HN 0.223 nan 8.300 nan 0.000 0.482 557 R N -0.222 120.319 120.500 0.068 0.000 2.096 557 R HA -0.176 4.164 4.340 0.000 0.000 0.235 557 R C 2.160 178.513 176.300 0.088 0.000 1.127 557 R CA 1.334 57.479 56.100 0.074 0.000 0.968 557 R CB -0.622 29.717 30.300 0.064 0.000 0.861 557 R HN 0.419 nan 8.270 nan 0.000 0.440 558 Q N -0.321 119.568 119.800 0.147 0.000 2.123 558 Q HA -0.065 4.275 4.340 0.000 0.000 0.199 558 Q C -0.304 175.796 176.000 0.167 0.000 0.966 558 Q CA 1.022 56.932 55.803 0.179 0.000 0.845 558 Q CB 0.320 29.215 28.738 0.262 0.000 0.907 558 Q HN 0.179 nan 8.270 nan 0.000 0.439 559 Y N -0.698 119.592 120.300 -0.016 0.000 2.342 559 Y HA 0.205 4.755 4.550 0.000 0.000 0.334 559 Y C -1.632 174.245 175.900 -0.038 0.000 1.067 559 Y CA -2.882 55.205 58.100 -0.022 0.000 1.128 559 Y CB 0.962 39.414 38.460 -0.015 0.000 1.200 559 Y HN 0.019 nan 8.280 nan 0.000 0.464 560 P HA -0.068 nan 4.420 nan 0.000 0.213 560 P C 1.023 178.328 177.300 0.009 0.000 1.170 560 P CA 1.742 64.852 63.100 0.016 0.000 0.889 560 P CB 0.320 32.013 31.700 -0.012 0.000 0.782 561 R N -0.866 119.654 120.500 0.034 0.000 2.339 561 R HA 0.084 4.424 4.340 0.000 0.000 0.199 561 R C 0.519 176.785 176.300 -0.056 0.000 1.018 561 R CA 0.199 56.294 56.100 -0.008 0.000 1.036 561 R CB -0.566 29.738 30.300 0.006 0.000 0.899 561 R HN 0.260 nan 8.270 nan 0.000 0.473 562 L N 2.380 123.583 121.223 -0.033 0.000 2.302 562 L HA 0.106 4.446 4.340 0.000 0.000 0.285 562 L C 0.624 177.312 176.870 -0.304 0.000 1.090 562 L CA 0.191 54.942 54.840 -0.150 0.000 0.866 562 L CB 1.012 43.048 42.059 -0.039 0.000 1.244 562 L HN 0.136 nan 8.230 nan 0.000 0.435 563 Q N 2.722 122.268 119.800 -0.424 0.000 2.188 563 Q HA 0.359 4.699 4.340 0.000 0.000 0.212 563 Q C 0.676 176.252 176.000 -0.708 0.000 0.846 563 Q CA -0.015 55.517 55.803 -0.451 0.000 0.989 563 Q CB 1.224 29.800 28.738 -0.270 0.000 1.114 563 Q HN 0.866 nan 8.270 nan 0.000 0.488 564 G N -0.402 107.588 108.800 -1.350 0.000 2.331 564 G HA2 0.271 4.231 3.960 0.000 0.000 0.402 564 G HA3 0.271 4.231 3.960 0.000 0.000 0.402 564 G C -0.779 173.277 174.900 -1.405 0.000 1.275 564 G CA -0.670 43.489 45.100 -1.569 0.000 1.003 564 G HN 0.427 nan 8.290 nan 0.000 0.500 565 G N -2.031 106.182 108.800 -0.979 0.000 2.495 565 G HA2 0.696 4.656 3.960 0.000 0.000 0.294 565 G HA3 0.696 4.656 3.960 0.000 0.000 0.294 565 G C -1.881 172.820 174.900 -0.331 0.000 1.397 565 G CA -0.552 44.121 45.100 -0.712 0.000 0.790 565 G HN 1.052 nan 8.290 nan 0.000 0.486 566 F N 0.821 120.956 119.950 0.308 0.000 2.382 566 F HA 0.493 5.020 4.527 0.000 0.000 0.361 566 F C 0.733 176.898 175.800 0.609 0.000 1.109 566 F CA -0.792 57.483 58.000 0.459 0.000 1.031 566 F CB 1.906 41.073 39.000 0.279 0.000 1.234 566 F HN 0.230 nan 8.300 nan 0.000 0.445 567 V N 3.086 123.422 119.914 0.703 0.000 2.999 567 V HA -0.125 3.995 4.120 0.000 0.000 0.307 567 V C -0.281 176.084 176.094 0.452 0.000 1.084 567 V CA -0.151 62.372 62.300 0.371 0.000 1.155 567 V CB 0.828 32.846 31.823 0.326 0.000 0.975 567 V HN 0.788 nan 8.190 nan 0.000 0.490 568 W N 5.761 127.234 121.300 0.289 0.000 2.424 568 W HA 0.455 5.115 4.660 0.000 0.000 0.318 568 W C -1.021 175.696 176.519 0.331 0.000 1.016 568 W CA -0.783 56.773 57.345 0.351 0.000 1.268 568 W CB 1.626 31.377 29.460 0.486 0.000 1.297 568 W HN 0.911 nan 8.180 nan 0.000 0.428 569 D N 2.861 123.043 120.400 -0.363 0.000 2.846 569 D HA 0.184 4.824 4.640 0.000 0.000 0.273 569 D C 0.721 176.877 176.300 -0.239 0.000 1.145 569 D CA -0.452 53.174 54.000 -0.623 0.000 1.091 569 D CB 0.260 40.143 40.800 -1.529 0.000 1.364 569 D HN 0.408 nan 8.370 nan 0.000 0.613 570 W N 0.630 121.680 121.300 -0.417 0.000 2.519 570 W HA 0.158 4.818 4.660 0.000 0.000 0.313 570 W C 0.015 176.350 176.519 -0.307 0.000 1.156 570 W CA 1.237 58.382 57.345 -0.333 0.000 1.394 570 W CB 0.170 29.461 29.460 -0.282 0.000 1.154 570 W HN 0.238 nan 8.180 nan 0.000 0.498 571 V N 0.615 120.379 119.914 -0.250 0.000 2.628 571 V HA 0.386 4.507 4.120 0.000 0.000 0.306 571 V C -0.433 175.539 176.094 -0.204 0.000 1.045 571 V CA -1.047 61.065 62.300 -0.313 0.000 0.905 571 V CB 1.434 33.191 31.823 -0.111 0.000 0.997 571 V HN -0.063 nan 8.190 nan 0.000 0.436 572 D N 2.464 122.748 120.400 -0.194 0.000 2.382 572 D HA 0.170 4.810 4.640 0.000 0.000 0.240 572 D C 0.033 176.263 176.300 -0.118 0.000 1.146 572 D CA 0.371 54.295 54.000 -0.126 0.000 0.897 572 D CB 1.308 42.088 40.800 -0.033 0.000 1.197 572 D HN 0.727 nan 8.370 nan 0.000 0.432 573 Q N 0.738 120.419 119.800 -0.197 0.000 2.936 573 Q HA 0.157 4.497 4.340 0.000 0.000 0.383 573 Q C -0.423 175.642 176.000 0.109 0.000 1.167 573 Q CA -0.386 55.151 55.803 -0.445 0.000 1.038 573 Q CB 0.329 28.851 28.738 -0.359 0.000 1.409 573 Q HN 0.348 nan 8.270 nan 0.000 0.448 574 S N -0.255 115.597 115.700 0.253 0.000 2.565 574 S HA 0.671 5.141 4.470 0.000 0.000 0.290 574 S C -0.245 174.529 174.600 0.290 0.000 1.150 574 S CA -0.785 57.621 58.200 0.343 0.000 1.058 574 S CB 1.435 64.789 63.200 0.258 0.000 1.032 574 S HN 0.318 nan 8.310 nan 0.000 0.510 575 L N 2.150 123.462 121.223 0.148 0.000 2.342 575 L HA 0.574 4.914 4.340 0.000 0.000 0.271 575 L C -0.366 176.419 176.870 -0.142 0.000 1.008 575 L CA -1.023 53.779 54.840 -0.063 0.000 0.818 575 L CB 1.590 43.498 42.059 -0.252 0.000 1.296 575 L HN 0.643 nan 8.230 nan 0.000 0.427 576 I N 2.276 122.711 120.570 -0.226 0.000 2.428 576 I HA 0.210 4.380 4.170 0.000 0.000 0.289 576 I C 0.124 175.888 176.117 -0.589 0.000 1.019 576 I CA 0.134 61.187 61.300 -0.412 0.000 1.351 576 I CB 0.969 38.756 38.000 -0.355 0.000 1.412 576 I HN 0.605 nan 8.210 nan 0.000 0.513 577 K N 4.687 124.449 120.400 -1.064 0.000 2.261 577 K HA 0.614 4.934 4.320 0.000 0.000 0.242 577 K C -1.693 174.133 176.600 -1.290 0.000 1.083 577 K CA -0.796 54.803 56.287 -1.146 0.000 0.880 577 K CB 1.844 33.413 32.500 -1.551 0.000 1.353 577 K HN 0.243 nan 8.250 nan 0.000 0.486 578 Y N 0.501 120.605 120.300 -0.326 0.000 2.512 578 Y HA 0.172 4.723 4.550 0.000 0.000 0.348 578 Y C -0.555 175.491 175.900 0.243 0.000 0.990 578 Y CA -1.175 56.929 58.100 0.006 0.000 1.033 578 Y CB 1.573 40.022 38.460 -0.018 0.000 1.259 578 Y HN 0.625 nan 8.280 nan 0.000 0.461 579 D N 0.132 120.782 120.400 0.417 0.000 2.277 579 D HA 0.121 4.761 4.640 0.000 0.000 0.250 579 D C 0.353 176.759 176.300 0.177 0.000 1.032 579 D CA -0.669 53.491 54.000 0.267 0.000 0.947 579 D CB 1.070 41.971 40.800 0.167 0.000 1.159 579 D HN 0.772 nan 8.370 nan 0.000 0.460 580 E N 0.396 120.662 120.200 0.109 0.000 2.394 580 E HA -0.211 4.139 4.350 0.000 0.000 0.202 580 E C 0.326 176.960 176.600 0.056 0.000 1.029 580 E CA 0.816 57.257 56.400 0.067 0.000 0.855 580 E CB -0.476 29.247 29.700 0.038 0.000 0.770 580 E HN 0.421 nan 8.360 nan 0.000 0.527 581 N N 0.366 119.108 118.700 0.071 0.000 2.279 581 N HA 0.090 4.830 4.740 0.000 0.000 0.226 581 N C 0.638 176.190 175.510 0.071 0.000 1.126 581 N CA 0.574 53.657 53.050 0.056 0.000 0.846 581 N CB 1.360 39.873 38.487 0.044 0.000 1.050 581 N HN 0.288 nan 8.380 nan 0.000 0.502 582 G N 1.527 110.383 108.800 0.094 0.000 2.176 582 G HA2 -0.242 3.718 3.960 0.000 0.000 0.252 582 G HA3 -0.242 3.718 3.960 0.000 0.000 0.252 582 G C -0.398 174.634 174.900 0.220 0.000 1.024 582 G CA -0.257 44.904 45.100 0.102 0.000 0.755 582 G HN 0.322 nan 8.290 nan 0.000 0.507 583 N N 1.149 120.005 118.700 0.260 0.000 2.421 583 N HA 0.531 5.271 4.740 0.000 0.000 0.285 583 N C -2.764 172.904 175.510 0.262 0.000 1.027 583 N CA -1.365 51.831 53.050 0.243 0.000 0.918 583 N CB 2.482 41.057 38.487 0.148 0.000 1.152 583 N HN 0.148 nan 8.380 nan 0.000 0.485 584 P HA 0.365 nan 4.420 nan 0.000 0.294 584 P C -0.653 176.550 177.300 -0.162 0.000 1.294 584 P CA -0.489 62.355 63.100 -0.427 0.000 0.827 584 P CB 0.861 32.315 31.700 -0.409 0.000 0.992 585 W N 0.260 121.263 121.300 -0.495 0.000 3.032 585 W HA 0.432 5.092 4.660 0.000 0.000 0.335 585 W C -1.164 175.154 176.519 -0.336 0.000 1.154 585 W CA -1.184 55.903 57.345 -0.430 0.000 1.204 585 W CB 0.300 29.305 29.460 -0.758 0.000 1.416 585 W HN 0.131 nan 8.180 nan 0.000 0.521 586 S N 1.867 117.596 115.700 0.048 0.000 2.498 586 S HA 0.438 4.908 4.470 0.000 0.000 0.281 586 S C 0.347 175.070 174.600 0.204 0.000 1.265 586 S CA 0.061 58.302 58.200 0.069 0.000 1.071 586 S CB 0.364 63.656 63.200 0.153 0.000 0.894 586 S HN 0.599 nan 8.310 nan 0.000 0.491 587 A N 3.014 125.829 122.820 -0.008 0.000 2.313 587 A HA 0.935 5.255 4.320 0.000 0.000 0.323 587 A C -0.704 177.085 177.584 0.343 0.000 1.133 587 A CA -0.720 51.336 52.037 0.031 0.000 0.847 587 A CB 0.847 19.556 19.000 -0.485 0.000 1.308 587 A HN 0.880 nan 8.150 nan 0.000 0.475 588 Y N -1.889 118.671 120.300 0.433 0.000 2.840 588 Y HA 0.696 5.246 4.550 0.000 0.000 0.324 588 Y C 0.397 176.574 175.900 0.462 0.000 1.378 588 Y CA -1.425 56.938 58.100 0.438 0.000 1.077 588 Y CB 0.059 38.598 38.460 0.133 0.000 1.361 588 Y HN 1.166 nan 8.280 nan 0.000 0.459 589 G N 0.381 109.509 108.800 0.548 0.000 2.238 589 G HA2 0.372 4.332 3.960 0.000 0.000 0.234 589 G HA3 0.372 4.332 3.960 0.000 0.000 0.234 589 G C 1.062 176.265 174.900 0.505 0.000 1.181 589 G CA 0.722 46.044 45.100 0.369 0.000 0.871 589 G HN 2.124 nan 8.290 nan 0.000 0.490 590 G N 2.080 111.140 108.800 0.434 0.000 2.234 590 G HA2 -0.293 3.667 3.960 0.000 0.000 0.260 590 G HA3 -0.293 3.667 3.960 0.000 0.000 0.260 590 G C 0.848 175.924 174.900 0.293 0.000 0.987 590 G CA 0.692 45.997 45.100 0.342 0.000 0.625 590 G HN 0.704 nan 8.290 nan 0.000 0.532 591 D N -0.281 120.294 120.400 0.291 0.000 2.348 591 D HA 0.241 4.881 4.640 0.000 0.000 0.248 591 D C 1.036 177.125 176.300 -0.353 0.000 1.142 591 D CA 0.496 54.482 54.000 -0.024 0.000 0.904 591 D CB -0.263 40.432 40.800 -0.176 0.000 0.901 591 D HN 0.499 nan 8.370 nan 0.000 0.523 592 F N -1.627 118.432 119.950 0.181 0.000 2.915 592 F HA 0.272 4.799 4.527 0.000 0.000 0.347 592 F C 1.709 177.585 175.800 0.127 0.000 1.104 592 F CA -0.162 57.913 58.000 0.126 0.000 1.126 592 F CB 0.948 40.018 39.000 0.117 0.000 1.145 592 F HN -0.027 nan 8.300 nan 0.000 0.541 593 G N 0.698 109.662 108.800 0.273 0.000 2.176 593 G HA2 -0.226 3.734 3.960 0.000 0.000 0.232 593 G HA3 -0.226 3.734 3.960 0.000 0.000 0.232 593 G C -0.253 174.781 174.900 0.224 0.000 0.986 593 G CA -0.037 45.187 45.100 0.205 0.000 0.643 593 G HN 0.363 nan 8.290 nan 0.000 0.522 594 D N 0.730 121.308 120.400 0.296 0.000 2.382 594 D HA 0.499 5.139 4.640 0.000 0.000 0.245 594 D C -0.121 176.306 176.300 0.212 0.000 1.120 594 D CA 0.543 54.706 54.000 0.272 0.000 0.890 594 D CB 1.409 42.417 40.800 0.346 0.000 1.201 594 D HN 0.074 nan 8.370 nan 0.000 0.433 595 T N 1.576 116.229 114.554 0.164 0.000 2.956 595 T HA 0.479 4.829 4.350 0.000 0.000 0.312 595 T C -2.526 172.224 174.700 0.083 0.000 1.151 595 T CA -0.912 61.257 62.100 0.115 0.000 1.024 595 T CB 1.938 70.867 68.868 0.101 0.000 1.140 595 T HN 0.359 nan 8.240 nan 0.000 0.473 596 P HA 0.534 nan 4.420 nan 0.000 0.280 596 P C -1.016 176.306 177.300 0.037 0.000 1.272 596 P CA -0.801 62.321 63.100 0.037 0.000 0.819 596 P CB 0.758 32.456 31.700 -0.003 0.000 1.122 597 N N -0.933 117.805 118.700 0.062 0.000 2.571 597 N HA 0.201 4.941 4.740 0.000 0.000 0.273 597 N C -1.133 174.440 175.510 0.105 0.000 1.340 597 N CA -0.566 52.538 53.050 0.091 0.000 0.789 597 N CB 1.644 40.253 38.487 0.204 0.000 1.514 597 N HN 0.223 nan 8.380 nan 0.000 0.499 598 D N 0.024 120.557 120.400 0.222 0.000 2.643 598 D HA 0.137 4.778 4.640 0.000 0.000 0.244 598 D C 0.440 176.938 176.300 0.331 0.000 1.257 598 D CA -0.164 54.008 54.000 0.287 0.000 0.831 598 D CB 0.926 41.828 40.800 0.170 0.000 1.043 598 D HN 0.598 nan 8.370 nan 0.000 0.488 599 R N 0.366 120.989 120.500 0.205 0.000 3.869 599 R HA -0.362 3.978 4.340 0.000 0.000 0.424 599 R C 0.985 177.057 176.300 -0.380 0.000 0.241 599 R CA 1.518 57.636 56.100 0.029 0.000 1.351 599 R CB -1.471 28.781 30.300 -0.080 0.000 0.979 599 R HN 0.125 nan 8.270 nan 0.000 0.572 600 Q N 0.544 119.871 119.800 -0.789 0.000 2.482 600 Q HA 0.142 4.482 4.340 0.000 0.000 0.209 600 Q C 1.434 177.042 176.000 -0.654 0.000 0.961 600 Q CA 0.889 56.104 55.803 -0.980 0.000 0.945 600 Q CB -0.012 28.045 28.738 -1.134 0.000 1.012 600 Q HN 0.379 nan 8.270 nan 0.000 0.515 601 F N 0.833 120.548 119.950 -0.393 0.000 2.583 601 F HA -0.143 4.385 4.527 0.000 0.000 0.297 601 F C 1.925 177.572 175.800 -0.256 0.000 1.131 601 F CA 0.354 58.239 58.000 -0.193 0.000 1.467 601 F CB -0.304 38.703 39.000 0.012 0.000 1.097 601 F HN 0.382 nan 8.300 nan 0.000 0.586 602 C N -1.593 117.357 119.300 -0.584 0.000 2.539 602 C HA 0.244 4.704 4.460 0.000 0.000 0.268 602 C C 0.985 175.832 174.990 -0.238 0.000 1.395 602 C CA -0.529 58.120 59.018 -0.614 0.000 1.757 602 C CB -1.673 25.340 27.740 -1.211 0.000 1.851 602 C HN 0.147 nan 8.230 nan 0.000 0.545 603 M N 3.006 122.481 119.600 -0.208 0.000 2.149 603 M HA 0.412 4.892 4.480 0.000 0.000 0.342 603 M C -0.254 175.976 176.300 -0.117 0.000 1.068 603 M CA 0.172 55.391 55.300 -0.136 0.000 0.991 603 M CB 0.886 33.429 32.600 -0.094 0.000 1.596 603 M HN 0.167 nan 8.290 nan 0.000 0.439 604 N N 1.187 119.834 118.700 -0.088 0.000 1.986 604 N HA 0.101 4.841 4.740 0.000 0.000 0.227 604 N C 0.327 175.726 175.510 -0.185 0.000 1.387 604 N CA -0.119 52.889 53.050 -0.069 0.000 0.810 604 N CB 0.932 39.605 38.487 0.310 0.000 1.140 604 N HN 0.802 nan 8.380 nan 0.000 0.504 605 G N 0.644 109.263 108.800 -0.303 0.000 2.569 605 G HA2 0.369 4.329 3.960 0.000 0.000 0.249 605 G HA3 0.369 4.329 3.960 0.000 0.000 0.249 605 G C 0.874 175.360 174.900 -0.690 0.000 1.216 605 G CA -0.384 44.443 45.100 -0.454 0.000 0.845 605 G HN 0.114 nan 8.290 nan 0.000 0.568 606 L N 0.294 121.131 121.223 -0.644 0.000 2.599 606 L HA 0.198 4.538 4.340 0.000 0.000 0.230 606 L C 0.713 177.010 176.870 -0.956 0.000 1.141 606 L CA 0.034 54.476 54.840 -0.664 0.000 0.877 606 L CB -0.419 41.411 42.059 -0.383 0.000 1.009 606 L HN 0.409 nan 8.230 nan 0.000 0.447 607 V N -5.390 113.835 119.914 -1.147 0.000 3.114 607 V HA 0.507 4.627 4.120 0.000 0.000 0.308 607 V C -0.629 175.046 176.094 -0.698 0.000 1.168 607 V CA -1.150 60.619 62.300 -0.885 0.000 1.015 607 V CB 1.868 33.217 31.823 -0.789 0.000 1.050 607 V HN -0.148 nan 8.190 nan 0.000 0.433 608 F N 2.036 121.884 119.950 -0.170 0.000 2.418 608 F HA 0.652 5.179 4.527 0.000 0.000 0.341 608 F C 1.849 177.577 175.800 -0.120 0.000 1.120 608 F CA 0.515 58.498 58.000 -0.028 0.000 1.232 608 F CB 1.397 40.403 39.000 0.010 0.000 1.175 608 F HN 0.872 nan 8.300 nan 0.000 0.569 609 A N 1.505 124.403 122.820 0.130 0.000 2.067 609 A HA -0.293 4.027 4.320 0.000 0.000 0.224 609 A C 1.451 179.003 177.584 -0.053 0.000 1.172 609 A CA 2.203 54.268 52.037 0.045 0.000 0.662 609 A CB -1.220 17.839 19.000 0.098 0.000 0.814 609 A HN 0.840 nan 8.150 nan 0.000 0.468 610 D N -3.576 116.816 120.400 -0.015 0.000 2.336 610 D HA 0.304 4.944 4.640 0.000 0.000 0.228 610 D C 0.636 176.911 176.300 -0.042 0.000 1.120 610 D CA -0.215 53.742 54.000 -0.071 0.000 0.839 610 D CB 0.069 40.832 40.800 -0.063 0.000 0.932 610 D HN 0.195 nan 8.370 nan 0.000 0.509 611 R N -1.096 119.375 120.500 -0.049 0.000 3.936 611 R HA -0.134 4.207 4.340 0.000 0.000 0.366 611 R C -0.373 175.908 176.300 -0.033 0.000 1.158 611 R CA 1.206 57.264 56.100 -0.070 0.000 0.969 611 R CB -3.240 27.055 30.300 -0.008 0.000 1.504 611 R HN 0.575 nan 8.270 nan 0.000 0.538 612 T N -2.150 112.440 114.554 0.060 0.000 2.875 612 T HA 0.691 5.041 4.350 0.000 0.000 0.284 612 T C -2.420 172.401 174.700 0.203 0.000 0.995 612 T CA -2.203 59.972 62.100 0.126 0.000 1.060 612 T CB 2.158 71.090 68.868 0.106 0.000 0.967 612 T HN -0.198 nan 8.240 nan 0.000 0.476 613 P HA 0.233 nan 4.420 nan 0.000 0.268 613 P C -0.483 176.899 177.300 0.136 0.000 1.205 613 P CA -0.084 63.043 63.100 0.045 0.000 0.771 613 P CB 0.206 31.922 31.700 0.027 0.000 0.858 614 H N 3.460 122.372 119.070 -0.264 0.000 2.496 614 H HA 0.228 4.784 4.556 0.000 0.000 0.342 614 H C -1.195 174.031 175.328 -0.171 0.000 1.170 614 H CA -1.892 53.958 56.048 -0.330 0.000 1.274 614 H CB -0.009 29.503 29.762 -0.417 0.000 1.538 614 H HN 0.283 nan 8.280 nan 0.000 0.542 615 P HA -0.141 nan 4.420 nan 0.000 0.218 615 P C 0.989 178.277 177.300 -0.021 0.000 1.149 615 P CA 1.652 64.724 63.100 -0.046 0.000 0.817 615 P CB 0.019 31.685 31.700 -0.057 0.000 0.785 616 A N 0.171 122.983 122.820 -0.014 0.000 1.940 616 A HA -0.188 4.132 4.320 0.000 0.000 0.219 616 A C 2.129 179.666 177.584 -0.079 0.000 1.176 616 A CA 1.429 53.427 52.037 -0.064 0.000 0.631 616 A CB -1.756 17.187 19.000 -0.095 0.000 0.814 616 A HN 0.170 nan 8.150 nan 0.000 0.446 617 L N -0.235 120.958 121.223 -0.049 0.000 2.357 617 L HA -0.154 4.186 4.340 0.000 0.000 0.220 617 L C 2.185 179.097 176.870 0.069 0.000 1.123 617 L CA 2.348 57.190 54.840 0.003 0.000 0.782 617 L CB -0.468 41.588 42.059 -0.004 0.000 0.910 617 L HN 0.395 nan 8.230 nan 0.000 0.442 618 T N -2.130 112.459 114.554 0.060 0.000 3.044 618 T HA -0.054 4.296 4.350 0.000 0.000 0.255 618 T C 1.626 176.411 174.700 0.141 0.000 1.073 618 T CA 0.818 63.004 62.100 0.144 0.000 1.125 618 T CB 0.233 69.177 68.868 0.126 0.000 0.908 618 T HN 0.278 nan 8.240 nan 0.000 0.480 619 E N 1.998 122.223 120.200 0.041 0.000 2.106 619 E HA 0.015 4.365 4.350 0.000 0.000 0.192 619 E C 2.134 178.737 176.600 0.005 0.000 0.984 619 E CA 1.257 57.684 56.400 0.044 0.000 0.806 619 E CB -0.344 29.352 29.700 -0.007 0.000 0.750 619 E HN 0.420 nan 8.360 nan 0.000 0.458 620 A N 0.873 123.598 122.820 -0.158 0.000 1.897 620 A HA -0.135 4.185 4.320 0.000 0.000 0.215 620 A C 2.142 179.644 177.584 -0.137 0.000 1.181 620 A CA 1.619 53.539 52.037 -0.194 0.000 0.620 620 A CB -0.542 18.330 19.000 -0.213 0.000 0.821 620 A HN 0.255 nan 8.150 nan 0.000 0.443 621 K N -0.970 119.421 120.400 -0.014 0.000 2.097 621 K HA -0.237 4.083 4.320 0.000 0.000 0.206 621 K C 2.043 178.532 176.600 -0.184 0.000 1.049 621 K CA 1.685 57.964 56.287 -0.013 0.000 0.933 621 K CB -0.386 32.233 32.500 0.199 0.000 0.717 621 K HN 0.741 nan 8.250 nan 0.000 0.442 622 H N -0.474 118.407 119.070 -0.315 0.000 2.403 622 H HA 0.001 4.557 4.556 0.000 0.000 0.298 622 H C 1.728 176.769 175.328 -0.477 0.000 1.059 622 H CA 0.868 56.552 56.048 -0.606 0.000 1.363 622 H CB 0.493 29.927 29.762 -0.547 0.000 1.410 622 H HN 0.275 nan 8.280 nan 0.000 0.528 623 Q N 0.674 120.184 119.800 -0.483 0.000 2.167 623 Q HA -0.094 4.247 4.340 0.000 0.000 0.202 623 Q C 1.391 176.825 176.000 -0.943 0.000 0.970 623 Q CA 1.040 56.481 55.803 -0.604 0.000 0.855 623 Q CB -0.005 28.539 28.738 -0.324 0.000 0.911 623 Q HN 0.666 nan 8.270 nan 0.000 0.438 624 Q N 1.211 120.415 119.800 -0.992 0.000 2.228 624 Q HA 0.039 4.379 4.340 0.000 0.000 0.211 624 Q C 0.072 175.471 176.000 -1.002 0.000 0.890 624 Q CA -0.264 54.816 55.803 -1.204 0.000 0.953 624 Q CB 0.226 28.285 28.738 -1.132 0.000 1.053 624 Q HN 0.357 nan 8.270 nan 0.000 0.471 625 Q N -0.670 118.659 119.800 -0.785 0.000 2.454 625 Q HA 0.026 4.366 4.340 0.000 0.000 0.247 625 Q C -0.418 175.092 176.000 -0.818 0.000 1.028 625 Q CA 0.172 55.589 55.803 -0.644 0.000 0.910 625 Q CB 0.419 28.939 28.738 -0.364 0.000 1.276 625 Q HN 0.208 nan 8.270 nan 0.000 0.489 626 F N 0.034 119.667 119.950 -0.528 0.000 2.660 626 F HA 0.354 4.881 4.527 0.000 0.000 0.302 626 F C -0.641 174.527 175.800 -1.054 0.000 1.103 626 F CA -0.291 57.165 58.000 -0.906 0.000 1.340 626 F CB 0.395 38.468 39.000 -1.546 0.000 1.048 626 F HN 0.305 nan 8.300 nan 0.000 0.551 627 F N 0.199 120.002 119.950 -0.245 0.000 2.557 627 F HA 0.492 5.019 4.527 0.000 0.000 0.316 627 F C -0.385 175.045 175.800 -0.618 0.000 1.141 627 F CA -1.220 56.547 58.000 -0.387 0.000 0.922 627 F CB 1.502 40.301 39.000 -0.334 0.000 1.194 627 F HN -0.304 nan 8.300 nan 0.000 0.443 628 Q N 3.475 123.006 119.800 -0.449 0.000 2.333 628 Q HA 0.555 4.895 4.340 0.000 0.000 0.267 628 Q C -1.393 174.353 176.000 -0.423 0.000 1.012 628 Q CA -0.550 55.031 55.803 -0.369 0.000 0.824 628 Q CB 2.756 31.402 28.738 -0.155 0.000 1.290 628 Q HN 0.506 nan 8.270 nan 0.000 0.449 629 F N 0.574 120.632 119.950 0.179 0.000 2.532 629 F HA 0.594 5.121 4.527 0.000 0.000 0.321 629 F C 0.533 176.569 175.800 0.393 0.000 1.089 629 F CA -0.841 57.347 58.000 0.313 0.000 0.926 629 F CB 1.800 41.090 39.000 0.483 0.000 1.168 629 F HN 0.094 nan 8.300 nan 0.000 0.459 630 R N 1.973 122.799 120.500 0.542 0.000 2.621 630 R HA 0.689 5.029 4.340 0.000 0.000 0.292 630 R C -1.835 174.589 176.300 0.208 0.000 0.969 630 R CA -1.203 55.133 56.100 0.394 0.000 0.887 630 R CB 2.724 33.148 30.300 0.208 0.000 1.180 630 R HN 0.646 nan 8.270 nan 0.000 0.450 631 L N 1.097 122.322 121.223 0.003 0.000 2.349 631 L HA 0.461 4.802 4.340 0.000 0.000 0.278 631 L C -1.035 175.684 176.870 -0.252 0.000 0.996 631 L CA 0.120 54.696 54.840 -0.439 0.000 0.825 631 L CB 2.117 43.365 42.059 -1.352 0.000 1.243 631 L HN 0.423 nan 8.230 nan 0.000 0.412 632 S N 3.654 119.235 115.700 -0.199 0.000 2.669 632 S HA 0.662 5.132 4.470 0.000 0.000 0.315 632 S C 0.670 175.184 174.600 -0.144 0.000 1.106 632 S CA 0.190 58.313 58.200 -0.128 0.000 1.107 632 S CB 0.701 63.858 63.200 -0.071 0.000 0.990 632 S HN 1.356 nan 8.310 nan 0.000 0.471 633 G N 4.424 113.141 108.800 -0.138 0.000 3.434 633 G HA2 -0.372 3.588 3.960 0.000 0.000 0.343 633 G HA3 -0.372 3.588 3.960 0.000 0.000 0.343 633 G C 0.313 175.110 174.900 -0.170 0.000 1.240 633 G CA 1.330 46.353 45.100 -0.128 0.000 0.996 633 G HN 0.801 nan 8.290 nan 0.000 0.650 634 Q N -0.130 119.569 119.800 -0.167 0.000 2.093 634 Q HA 0.439 4.779 4.340 0.000 0.000 0.217 634 Q C 0.312 176.179 176.000 -0.222 0.000 0.785 634 Q CA 0.673 56.353 55.803 -0.204 0.000 1.038 634 Q CB -0.141 28.493 28.738 -0.174 0.000 1.190 634 Q HN 0.475 nan 8.270 nan 0.000 0.468 635 T N 2.295 116.735 114.554 -0.189 0.000 2.743 635 T HA 0.598 4.948 4.350 0.000 0.000 0.292 635 T C -0.117 174.483 174.700 -0.167 0.000 0.972 635 T CA -0.438 61.569 62.100 -0.156 0.000 0.967 635 T CB 0.454 69.265 68.868 -0.096 0.000 0.926 635 T HN 0.188 nan 8.240 nan 0.000 0.459 636 I N 3.160 123.639 120.570 -0.152 0.000 2.325 636 I HA 0.282 4.452 4.170 0.000 0.000 0.291 636 I C 0.745 176.892 176.117 0.050 0.000 1.019 636 I CA -0.521 60.728 61.300 -0.086 0.000 1.302 636 I CB 0.704 38.669 38.000 -0.059 0.000 1.401 636 I HN 0.563 nan 8.210 nan 0.000 0.485 637 E N 7.208 127.468 120.200 0.101 0.000 2.081 637 E HA 0.375 4.725 4.350 0.000 0.000 0.281 637 E C -1.313 175.388 176.600 0.168 0.000 0.986 637 E CA -0.592 55.875 56.400 0.112 0.000 0.796 637 E CB 1.286 31.034 29.700 0.080 0.000 1.085 637 E HN 0.433 nan 8.360 nan 0.000 0.398 638 V N 4.129 124.124 119.914 0.135 0.000 2.481 638 V HA 0.316 4.436 4.120 0.000 0.000 0.286 638 V C 0.087 176.201 176.094 0.033 0.000 1.042 638 V CA -0.434 61.912 62.300 0.077 0.000 0.928 638 V CB 1.728 33.611 31.823 0.100 0.000 0.986 638 V HN 0.730 nan 8.190 nan 0.000 0.462 639 T N 3.093 117.634 114.554 -0.023 0.000 2.840 639 T HA 0.291 4.642 4.350 0.000 0.000 0.287 639 T C -0.183 174.529 174.700 0.020 0.000 0.991 639 T CA -0.246 61.853 62.100 -0.002 0.000 0.964 639 T CB 1.494 70.344 68.868 -0.031 0.000 0.954 639 T HN 0.666 nan 8.240 nan 0.000 0.438 640 S N 1.788 117.517 115.700 0.048 0.000 2.565 640 S HA 0.227 4.697 4.470 0.000 0.000 0.274 640 S C 0.753 175.280 174.600 -0.120 0.000 1.309 640 S CA -0.435 57.762 58.200 -0.004 0.000 1.043 640 S CB 0.550 63.797 63.200 0.078 0.000 0.939 640 S HN 0.730 nan 8.310 nan 0.000 0.504 641 E N 2.597 122.633 120.200 -0.273 0.000 2.548 641 E HA 0.111 4.461 4.350 0.000 0.000 0.206 641 E C -1.056 175.429 176.600 -0.190 0.000 1.005 641 E CA -0.083 56.193 56.400 -0.206 0.000 0.951 641 E CB 0.441 30.012 29.700 -0.215 0.000 1.035 641 E HN 0.609 nan 8.360 nan 0.000 0.470 642 Y N 0.328 120.523 120.300 -0.175 0.000 2.299 642 Y HA 0.128 4.678 4.550 0.000 0.000 0.326 642 Y C 1.234 176.959 175.900 -0.293 0.000 1.164 642 Y CA -0.123 57.811 58.100 -0.276 0.000 1.234 642 Y CB 0.816 39.094 38.460 -0.303 0.000 1.219 642 Y HN -0.041 nan 8.280 nan 0.000 0.497 643 L N 1.443 122.478 121.223 -0.314 0.000 2.554 643 L HA 0.110 4.451 4.340 0.000 0.000 0.225 643 L C 0.502 176.985 176.870 -0.645 0.000 1.104 643 L CA 0.456 54.932 54.840 -0.606 0.000 0.866 643 L CB -0.033 41.422 42.059 -1.007 0.000 1.047 643 L HN 0.490 nan 8.230 nan 0.000 0.468 644 F N -0.205 119.738 119.950 -0.011 0.000 2.640 644 F HA 0.242 4.769 4.527 0.000 0.000 0.285 644 F C 1.324 177.074 175.800 -0.083 0.000 1.031 644 F CA -0.888 57.075 58.000 -0.062 0.000 1.240 644 F CB -0.077 38.866 39.000 -0.096 0.000 1.011 644 F HN -0.105 nan 8.300 nan 0.000 0.656 645 R N -0.110 120.384 120.500 -0.011 0.000 2.596 645 R HA 0.502 4.842 4.340 0.000 0.000 0.267 645 R C -0.914 175.367 176.300 -0.031 0.000 1.026 645 R CA -0.645 55.402 56.100 -0.087 0.000 1.087 645 R CB 0.766 30.901 30.300 -0.276 0.000 1.132 645 R HN 0.143 nan 8.270 nan 0.000 0.531 646 H N 0.051 119.097 119.070 -0.041 0.000 2.483 646 H HA 0.165 4.722 4.556 0.000 0.000 0.338 646 H C -0.223 175.128 175.328 0.039 0.000 1.152 646 H CA -0.469 55.596 56.048 0.028 0.000 1.264 646 H CB 1.377 31.159 29.762 0.034 0.000 1.510 646 H HN 0.763 nan 8.280 nan 0.000 0.530 647 S N 2.579 118.227 115.700 -0.088 0.000 4.027 647 S HA -0.066 4.404 4.470 0.000 0.000 0.188 647 S C 0.322 175.104 174.600 0.304 0.000 1.230 647 S CA -0.071 58.244 58.200 0.193 0.000 0.920 647 S CB -0.800 62.494 63.200 0.157 0.000 1.577 647 S HN 0.764 nan 8.310 nan 0.000 0.445 648 D N 0.755 121.309 120.400 0.258 0.000 2.349 648 D HA -0.021 4.619 4.640 0.000 0.000 0.224 648 D C 0.367 176.732 176.300 0.107 0.000 1.029 648 D CA 0.116 54.220 54.000 0.172 0.000 0.879 648 D CB -0.215 40.647 40.800 0.104 0.000 0.906 648 D HN 0.508 nan 8.370 nan 0.000 0.528 649 N N -0.074 118.697 118.700 0.118 0.000 2.697 649 N HA 0.189 4.929 4.740 0.000 0.000 0.253 649 N C -1.787 173.789 175.510 0.111 0.000 1.604 649 N CA -0.265 52.837 53.050 0.088 0.000 0.772 649 N CB 0.353 38.880 38.487 0.066 0.000 1.267 649 N HN -0.065 nan 8.380 nan 0.000 0.510 650 E N 0.577 120.831 120.200 0.090 0.000 2.294 650 E HA 0.400 4.750 4.350 0.000 0.000 0.272 650 E C -1.664 174.940 176.600 0.006 0.000 0.896 650 E CA -0.549 55.884 56.400 0.055 0.000 0.802 650 E CB 1.606 31.329 29.700 0.039 0.000 1.267 650 E HN 0.104 nan 8.360 nan 0.000 0.406 651 L N 3.202 124.404 121.223 -0.036 0.000 2.346 651 L HA 0.559 4.900 4.340 0.000 0.000 0.276 651 L C -1.357 175.442 176.870 -0.117 0.000 1.006 651 L CA -0.978 53.814 54.840 -0.080 0.000 0.817 651 L CB 1.578 43.544 42.059 -0.154 0.000 1.272 651 L HN 0.571 nan 8.230 nan 0.000 0.421 652 L N 4.518 125.726 121.223 -0.026 0.000 2.272 652 L HA 0.442 4.782 4.340 0.000 0.000 0.289 652 L C -0.714 176.246 176.870 0.151 0.000 1.032 652 L CA 0.077 54.954 54.840 0.062 0.000 0.810 652 L CB 0.795 42.944 42.059 0.150 0.000 1.205 652 L HN 0.575 nan 8.230 nan 0.000 0.422 653 H N 5.506 124.653 119.070 0.128 0.000 2.459 653 H HA 0.455 5.011 4.556 0.000 0.000 0.332 653 H C -1.167 174.248 175.328 0.146 0.000 1.094 653 H CA -0.703 55.385 56.048 0.068 0.000 1.224 653 H CB 1.028 30.793 29.762 0.006 0.000 1.449 653 H HN 0.713 nan 8.280 nan 0.000 0.484 654 W N 4.492 125.891 121.300 0.166 0.000 2.736 654 W HA 0.562 5.222 4.660 0.000 0.000 0.335 654 W C -1.801 174.761 176.519 0.071 0.000 1.059 654 W CA -1.383 56.027 57.345 0.108 0.000 1.226 654 W CB 1.248 30.759 29.460 0.085 0.000 1.416 654 W HN 0.509 nan 8.180 nan 0.000 0.505 655 M N 3.895 123.697 119.600 0.337 0.000 2.378 655 M HA 0.560 5.040 4.480 0.000 0.000 0.289 655 M C -2.182 174.302 176.300 0.307 0.000 1.136 655 M CA -0.383 55.014 55.300 0.162 0.000 0.917 655 M CB 2.286 34.907 32.600 0.036 0.000 1.669 655 M HN 0.216 nan 8.290 nan 0.000 0.461 656 V N 3.148 123.223 119.914 0.267 0.000 2.628 656 V HA 1.051 5.171 4.120 0.000 0.000 0.306 656 V C -0.319 175.875 176.094 0.166 0.000 1.045 656 V CA -0.417 62.035 62.300 0.254 0.000 0.905 656 V CB 1.121 33.105 31.823 0.270 0.000 0.997 656 V HN 1.037 nan 8.190 nan 0.000 0.436 657 A N 3.541 126.473 122.820 0.188 0.000 2.594 657 A HA 0.862 5.182 4.320 0.000 0.000 0.295 657 A C -1.819 175.882 177.584 0.195 0.000 1.071 657 A CA -0.547 51.577 52.037 0.144 0.000 0.685 657 A CB 1.835 20.884 19.000 0.082 0.000 1.285 657 A HN 0.994 nan 8.150 nan 0.000 0.405 658 L N 1.071 122.379 121.223 0.142 0.000 2.305 658 L HA 0.590 4.930 4.340 0.000 0.000 0.284 658 L C -0.118 176.843 176.870 0.151 0.000 1.013 658 L CA 0.176 55.109 54.840 0.156 0.000 0.819 658 L CB 0.806 42.926 42.059 0.100 0.000 1.227 658 L HN 0.771 nan 8.230 nan 0.000 0.417 659 D N 4.533 125.072 120.400 0.232 0.000 2.901 659 D HA -0.251 4.389 4.640 0.000 0.000 0.226 659 D C 1.049 177.411 176.300 0.104 0.000 1.175 659 D CA 1.596 55.739 54.000 0.239 0.000 0.720 659 D CB -0.819 40.093 40.800 0.186 0.000 1.069 659 D HN 1.194 nan 8.370 nan 0.000 0.418 660 G N -1.316 107.508 108.800 0.039 0.000 2.227 660 G HA2 -0.226 3.734 3.960 0.000 0.000 0.168 660 G HA3 -0.226 3.734 3.960 0.000 0.000 0.168 660 G C 0.002 174.843 174.900 -0.098 0.000 1.006 660 G CA -0.106 44.919 45.100 -0.124 0.000 0.684 660 G HN 0.358 nan 8.290 nan 0.000 0.489 661 K N 1.466 121.853 120.400 -0.022 0.000 2.206 661 K HA 0.616 4.936 4.320 0.000 0.000 0.264 661 K C -2.837 173.759 176.600 -0.007 0.000 0.967 661 K CA -2.105 54.167 56.287 -0.025 0.000 0.844 661 K CB 2.314 34.811 32.500 -0.006 0.000 1.099 661 K HN -0.030 nan 8.250 nan 0.000 0.441 662 P HA 0.152 nan 4.420 nan 0.000 0.287 662 P C -0.191 177.104 177.300 -0.010 0.000 1.307 662 P CA -0.189 62.895 63.100 -0.026 0.000 0.777 662 P CB 0.664 32.325 31.700 -0.065 0.000 0.883 663 L N 1.746 122.982 121.223 0.021 0.000 2.316 663 L HA 0.479 4.819 4.340 0.000 0.000 0.207 663 L C 0.964 177.851 176.870 0.029 0.000 1.070 663 L CA 0.402 55.261 54.840 0.031 0.000 0.820 663 L CB -0.214 41.879 42.059 0.056 0.000 0.992 663 L HN 0.272 nan 8.230 nan 0.000 0.466 664 A N -0.661 122.182 122.820 0.038 0.000 2.574 664 A HA 0.725 5.045 4.320 0.000 0.000 0.297 664 A C -0.810 176.660 177.584 -0.191 0.000 1.062 664 A CA -0.287 51.751 52.037 0.002 0.000 0.686 664 A CB 1.855 20.954 19.000 0.165 0.000 1.285 664 A HN -0.035 nan 8.150 nan 0.000 0.403 665 S N -0.957 114.459 115.700 -0.473 0.000 2.715 665 S HA 0.996 5.466 4.470 0.000 0.000 0.307 665 S C 0.062 173.759 174.600 -1.505 0.000 1.119 665 S CA -0.012 57.682 58.200 -0.843 0.000 0.937 665 S CB 2.040 64.944 63.200 -0.493 0.000 1.150 665 S HN 2.055 nan 8.310 nan 0.000 0.521 666 G N 0.189 108.091 108.800 -1.496 0.000 2.466 666 G HA2 0.560 4.521 3.960 0.000 0.000 0.291 666 G HA3 0.560 4.521 3.960 0.000 0.000 0.291 666 G C -2.489 172.105 174.900 -0.510 0.000 1.460 666 G CA -0.723 43.694 45.100 -1.139 0.000 0.791 666 G HN 0.537 nan 8.290 nan 0.000 0.505 667 E N -0.912 119.299 120.200 0.018 0.000 2.321 667 E HA 0.573 4.924 4.350 0.000 0.000 0.278 667 E C -1.487 175.259 176.600 0.243 0.000 0.902 667 E CA -0.887 55.652 56.400 0.232 0.000 0.758 667 E CB 3.112 32.965 29.700 0.256 0.000 1.213 667 E HN 0.418 nan 8.360 nan 0.000 0.426 668 V N 2.095 122.146 119.914 0.228 0.000 2.777 668 V HA 0.388 4.508 4.120 0.000 0.000 0.306 668 V C -2.471 173.692 176.094 0.114 0.000 1.112 668 V CA -1.977 60.428 62.300 0.176 0.000 0.917 668 V CB 2.057 33.998 31.823 0.197 0.000 1.018 668 V HN 0.573 nan 8.190 nan 0.000 0.426 669 P HA 0.207 nan 4.420 nan 0.000 0.272 669 P C -0.770 176.571 177.300 0.069 0.000 1.223 669 P CA -0.165 62.976 63.100 0.069 0.000 0.784 669 P CB 0.995 32.738 31.700 0.071 0.000 0.923 670 L N 2.424 123.676 121.223 0.049 0.000 2.264 670 L HA 0.276 4.616 4.340 0.000 0.000 0.289 670 L C 0.073 176.999 176.870 0.094 0.000 1.044 670 L CA 0.037 54.895 54.840 0.030 0.000 0.807 670 L CB 0.736 42.747 42.059 -0.080 0.000 1.192 670 L HN 0.398 nan 8.230 nan 0.000 0.425 671 D N 3.657 124.120 120.400 0.106 0.000 2.378 671 D HA 0.405 5.045 4.640 0.000 0.000 0.265 671 D C -1.261 175.090 176.300 0.084 0.000 1.229 671 D CA -0.174 53.958 54.000 0.219 0.000 0.914 671 D CB 1.038 41.983 40.800 0.242 0.000 1.140 671 D HN 0.069 nan 8.370 nan 0.000 0.516 672 V N 1.509 121.286 119.914 -0.227 0.000 2.656 672 V HA 0.864 4.984 4.120 0.000 0.000 0.307 672 V C 0.533 176.290 176.094 -0.561 0.000 1.051 672 V CA -1.233 60.929 62.300 -0.230 0.000 0.893 672 V CB 1.495 33.316 31.823 -0.003 0.000 0.999 672 V HN 0.559 nan 8.190 nan 0.000 0.426 673 A N 5.335 128.052 122.820 -0.173 0.000 2.304 673 A HA 0.826 5.146 4.320 0.000 0.000 0.271 673 A C -2.526 175.053 177.584 -0.007 0.000 1.091 673 A CA -1.687 50.333 52.037 -0.028 0.000 0.812 673 A CB 0.068 19.125 19.000 0.094 0.000 1.056 673 A HN 0.667 nan 8.150 nan 0.000 0.489 674 P HA 0.073 nan 4.420 nan 0.000 0.264 674 P C -0.409 176.893 177.300 0.003 0.000 1.193 674 P CA 0.563 63.676 63.100 0.022 0.000 0.763 674 P CB 0.286 31.993 31.700 0.011 0.000 0.810 675 Q N -1.027 118.765 119.800 -0.014 0.000 2.348 675 Q HA -0.203 4.137 4.340 0.000 0.000 0.221 675 Q C 0.773 176.773 176.000 -0.001 0.000 0.735 675 Q CA 1.357 57.147 55.803 -0.021 0.000 1.351 675 Q CB -2.467 26.253 28.738 -0.030 0.000 1.640 675 Q HN 0.718 nan 8.270 nan 0.000 0.667 676 G N 0.432 109.240 108.800 0.014 0.000 2.568 676 G HA2 0.607 4.567 3.960 0.000 0.000 0.293 676 G HA3 0.607 4.567 3.960 0.000 0.000 0.293 676 G C -0.596 174.322 174.900 0.029 0.000 1.347 676 G CA -0.609 44.505 45.100 0.024 0.000 1.039 676 G HN -0.012 nan 8.290 nan 0.000 0.523 677 K N -0.587 119.834 120.400 0.035 0.000 2.426 677 K HA 0.417 4.737 4.320 0.000 0.000 0.251 677 K C -1.007 175.622 176.600 0.048 0.000 0.941 677 K CA -0.548 55.764 56.287 0.041 0.000 0.808 677 K CB 2.520 35.041 32.500 0.035 0.000 1.265 677 K HN 0.418 nan 8.250 nan 0.000 0.432 678 Q N 3.019 122.852 119.800 0.056 0.000 2.337 678 Q HA 0.404 4.744 4.340 0.000 0.000 0.270 678 Q C -1.447 174.591 176.000 0.062 0.000 1.043 678 Q CA -0.724 55.115 55.803 0.060 0.000 0.794 678 Q CB 1.548 30.325 28.738 0.064 0.000 1.281 678 Q HN 0.534 nan 8.270 nan 0.000 0.446 679 L N 5.397 126.650 121.223 0.049 0.000 2.272 679 L HA 0.522 4.862 4.340 0.000 0.000 0.289 679 L C -0.480 176.406 176.870 0.027 0.000 1.032 679 L CA -0.529 54.332 54.840 0.034 0.000 0.810 679 L CB 1.009 43.080 42.059 0.020 0.000 1.205 679 L HN 0.543 nan 8.230 nan 0.000 0.422 680 I N 3.323 123.902 120.570 0.015 0.000 2.410 680 I HA 0.310 4.480 4.170 0.000 0.000 0.286 680 I C -0.306 175.763 176.117 -0.080 0.000 1.009 680 I CA -0.529 60.764 61.300 -0.012 0.000 1.111 680 I CB 2.009 40.018 38.000 0.015 0.000 1.262 680 I HN 0.590 nan 8.210 nan 0.000 0.443 681 E N 6.529 126.678 120.200 -0.085 0.000 2.055 681 E HA 0.413 4.763 4.350 0.000 0.000 0.274 681 E C -0.876 175.613 176.600 -0.185 0.000 0.949 681 E CA -0.564 55.763 56.400 -0.121 0.000 0.775 681 E CB 1.343 30.999 29.700 -0.073 0.000 1.097 681 E HN 0.484 nan 8.360 nan 0.000 0.404 682 L N 6.503 127.551 121.223 -0.291 0.000 2.361 682 L HA 0.251 4.591 4.340 0.000 0.000 0.278 682 L C -1.741 174.963 176.870 -0.276 0.000 1.113 682 L CA -1.916 52.660 54.840 -0.441 0.000 0.849 682 L CB 0.006 41.676 42.059 -0.647 0.000 1.155 682 L HN 0.359 nan 8.230 nan 0.000 0.452 683 P HA -0.095 nan 4.420 nan 0.000 0.267 683 P C -0.187 177.069 177.300 -0.073 0.000 1.195 683 P CA -0.160 62.900 63.100 -0.066 0.000 0.773 683 P CB 0.460 32.184 31.700 0.041 0.000 0.837 684 E N 1.002 121.183 120.200 -0.032 0.000 2.608 684 E HA -0.019 4.331 4.350 0.000 0.000 0.259 684 E C -0.423 176.177 176.600 0.002 0.000 0.951 684 E CA 0.158 56.543 56.400 -0.025 0.000 0.945 684 E CB 0.083 29.777 29.700 -0.010 0.000 0.916 684 E HN 0.309 nan 8.360 nan 0.000 0.477 685 L N 6.714 127.929 121.223 -0.013 0.000 2.307 685 L HA 0.415 4.756 4.340 0.000 0.000 0.282 685 L C -1.832 175.053 176.870 0.025 0.000 1.051 685 L CA -2.331 52.523 54.840 0.023 0.000 0.804 685 L CB 0.881 42.943 42.059 0.005 0.000 1.197 685 L HN 0.471 nan 8.230 nan 0.000 0.431 686 P HA 0.014 nan 4.420 nan 0.000 0.266 686 P C -0.941 176.375 177.300 0.028 0.000 1.195 686 P CA -0.072 63.051 63.100 0.038 0.000 0.768 686 P CB 0.605 32.336 31.700 0.051 0.000 0.838 687 Q N 1.454 121.265 119.800 0.018 0.000 2.182 687 Q HA 0.256 4.597 4.340 0.000 0.000 0.305 687 Q C -1.875 174.133 176.000 0.013 0.000 0.880 687 Q CA -1.381 54.428 55.803 0.011 0.000 1.131 687 Q CB -0.378 28.360 28.738 0.001 0.000 1.237 687 Q HN 0.468 nan 8.270 nan 0.000 0.447 688 P HA -0.211 nan 4.420 nan 0.000 0.275 688 P C 0.324 177.635 177.300 0.018 0.000 1.195 688 P CA 0.667 63.780 63.100 0.022 0.000 0.779 688 P CB 0.865 32.583 31.700 0.029 0.000 0.793 689 E N -0.264 119.947 120.200 0.018 0.000 2.140 689 E HA -0.010 4.340 4.350 0.000 0.000 0.191 689 E C 0.341 176.954 176.600 0.021 0.000 0.973 689 E CA 0.338 56.748 56.400 0.017 0.000 0.829 689 E CB -0.443 29.266 29.700 0.015 0.000 0.781 689 E HN 0.510 nan 8.360 nan 0.000 0.466 690 S N 2.014 117.729 115.700 0.025 0.000 2.817 690 S HA 0.065 4.535 4.470 0.000 0.000 0.333 690 S C 0.367 174.988 174.600 0.035 0.000 1.227 690 S CA 0.120 58.339 58.200 0.031 0.000 1.027 690 S CB 0.220 63.441 63.200 0.034 0.000 0.732 690 S HN 0.360 nan 8.310 nan 0.000 0.499 691 A N 3.133 125.976 122.820 0.038 0.000 2.488 691 A HA 0.633 4.953 4.320 0.000 0.000 0.249 691 A C 1.063 178.680 177.584 0.055 0.000 1.083 691 A CA 0.412 52.474 52.037 0.042 0.000 0.768 691 A CB -0.431 18.594 19.000 0.043 0.000 1.017 691 A HN 1.787 nan 8.150 nan 0.000 0.496 692 G N 0.914 109.746 108.800 0.053 0.000 2.350 692 G HA2 0.368 4.328 3.960 0.000 0.000 0.276 692 G HA3 0.368 4.328 3.960 0.000 0.000 0.276 692 G C -1.375 173.557 174.900 0.055 0.000 1.313 692 G CA -0.802 44.342 45.100 0.073 0.000 0.903 692 G HN 0.804 nan 8.290 nan 0.000 0.490 693 Q N -0.177 119.679 119.800 0.093 0.000 2.327 693 Q HA 0.561 4.901 4.340 0.000 0.000 0.270 693 Q C -0.954 175.115 176.000 0.116 0.000 1.022 693 Q CA -0.777 55.049 55.803 0.039 0.000 0.773 693 Q CB 2.425 31.223 28.738 0.100 0.000 1.251 693 Q HN 0.467 nan 8.270 nan 0.000 0.457 694 L N 3.105 124.320 121.223 -0.015 0.000 2.349 694 L HA 0.387 4.727 4.340 0.000 0.000 0.275 694 L C -1.538 175.314 176.870 -0.030 0.000 1.115 694 L CA 0.396 55.266 54.840 0.050 0.000 0.820 694 L CB 0.334 42.387 42.059 -0.011 0.000 1.135 694 L HN 0.579 nan 8.230 nan 0.000 0.445 695 W N 5.824 127.169 121.300 0.074 0.000 2.968 695 W HA 0.462 5.122 4.660 0.000 0.000 0.337 695 W C -1.116 175.500 176.519 0.161 0.000 1.060 695 W CA -0.655 56.759 57.345 0.115 0.000 1.240 695 W CB 1.513 31.058 29.460 0.140 0.000 1.370 695 W HN 0.294 nan 8.180 nan 0.000 0.459 696 L N 3.583 125.060 121.223 0.423 0.000 2.312 696 L HA 0.843 5.183 4.340 0.000 0.000 0.281 696 L C -0.268 176.907 176.870 0.508 0.000 1.070 696 L CA 0.508 55.587 54.840 0.398 0.000 0.805 696 L CB 1.365 43.583 42.059 0.265 0.000 1.174 696 L HN 0.315 nan 8.230 nan 0.000 0.434 697 T N 5.097 119.901 114.554 0.418 0.000 2.937 697 T HA 0.554 4.904 4.350 0.000 0.000 0.297 697 T C -0.917 173.974 174.700 0.318 0.000 0.991 697 T CA -0.384 61.926 62.100 0.351 0.000 0.990 697 T CB 1.358 70.368 68.868 0.237 0.000 0.991 697 T HN 0.652 nan 8.240 nan 0.000 0.440 698 V N 2.354 122.435 119.914 0.278 0.000 2.547 698 V HA 0.846 4.967 4.120 0.000 0.000 0.299 698 V C -0.483 175.688 176.094 0.128 0.000 1.040 698 V CA -0.961 61.449 62.300 0.183 0.000 0.913 698 V CB 1.621 33.484 31.823 0.067 0.000 0.992 698 V HN 0.802 nan 8.190 nan 0.000 0.449 699 R N 2.427 123.029 120.500 0.170 0.000 2.837 699 R HA 0.839 5.179 4.340 0.000 0.000 0.271 699 R C -1.639 174.770 176.300 0.183 0.000 0.993 699 R CA -0.840 55.391 56.100 0.218 0.000 0.931 699 R CB 2.694 33.121 30.300 0.211 0.000 1.206 699 R HN 0.669 nan 8.270 nan 0.000 0.474 700 V N 2.291 122.352 119.914 0.244 0.000 2.417 700 V HA 0.476 4.596 4.120 0.000 0.000 0.291 700 V C -0.442 175.736 176.094 0.141 0.000 1.024 700 V CA -0.711 61.691 62.300 0.169 0.000 0.861 700 V CB 1.694 33.636 31.823 0.199 0.000 0.985 700 V HN 0.421 nan 8.190 nan 0.000 0.436 701 V N 4.434 124.358 119.914 0.017 0.000 2.769 701 V HA 0.429 4.549 4.120 0.000 0.000 0.312 701 V C -0.374 175.751 176.094 0.050 0.000 1.061 701 V CA -0.733 61.580 62.300 0.023 0.000 0.931 701 V CB 2.220 33.981 31.823 -0.104 0.000 1.010 701 V HN 0.900 nan 8.190 nan 0.000 0.433 702 Q N 4.530 124.399 119.800 0.115 0.000 2.465 702 Q HA 0.252 4.593 4.340 0.000 0.000 0.237 702 Q C -1.801 174.233 176.000 0.057 0.000 1.051 702 Q CA -1.769 54.100 55.803 0.110 0.000 0.874 702 Q CB 1.685 30.521 28.738 0.163 0.000 1.207 702 Q HN 0.475 nan 8.270 nan 0.000 0.508 703 P HA -0.228 nan 4.420 nan 0.000 0.215 703 P C -0.526 176.782 177.300 0.013 0.000 1.163 703 P CA 1.480 64.593 63.100 0.023 0.000 0.894 703 P CB 0.259 31.971 31.700 0.020 0.000 0.791 704 N N -0.867 117.834 118.700 0.001 0.000 2.487 704 N HA 0.451 5.191 4.740 0.000 0.000 0.292 704 N C -0.364 175.107 175.510 -0.065 0.000 1.108 704 N CA -0.633 52.404 53.050 -0.023 0.000 0.956 704 N CB 0.709 39.184 38.487 -0.019 0.000 1.176 704 N HN 0.026 nan 8.380 nan 0.000 0.484 705 A N 0.690 123.464 122.820 -0.077 0.000 2.406 705 A HA 0.471 4.791 4.320 0.000 0.000 0.243 705 A C 0.591 178.049 177.584 -0.210 0.000 1.082 705 A CA -0.093 51.860 52.037 -0.140 0.000 0.786 705 A CB -0.068 18.874 19.000 -0.096 0.000 1.029 705 A HN 0.725 nan 8.150 nan 0.000 0.495 706 T N -2.997 111.335 114.554 -0.371 0.000 2.926 706 T HA 0.609 4.959 4.350 0.000 0.000 0.289 706 T C 0.798 175.292 174.700 -0.343 0.000 1.054 706 T CA -0.004 61.805 62.100 -0.485 0.000 1.015 706 T CB 1.418 69.580 68.868 -1.176 0.000 1.167 706 T HN 1.417 nan 8.240 nan 0.000 0.526 707 A N 0.284 122.999 122.820 -0.174 0.000 2.172 707 A HA 0.132 4.452 4.320 0.000 0.000 0.216 707 A C 1.491 179.210 177.584 0.224 0.000 1.154 707 A CA 0.932 53.015 52.037 0.078 0.000 0.701 707 A CB -0.887 18.235 19.000 0.204 0.000 0.789 707 A HN 0.943 nan 8.150 nan 0.000 0.465 708 W N -1.421 119.937 121.300 0.097 0.000 2.324 708 W HA 0.412 5.072 4.660 0.000 0.000 0.316 708 W C -0.187 176.309 176.519 -0.038 0.000 0.927 708 W CA 0.498 57.863 57.345 0.033 0.000 1.438 708 W CB -0.770 28.707 29.460 0.029 0.000 1.085 708 W HN 0.476 nan 8.180 nan 0.000 0.532 709 S N 0.305 115.624 115.700 -0.635 0.000 2.536 709 S HA 0.419 4.889 4.470 0.000 0.000 0.271 709 S C -1.032 173.370 174.600 -0.330 0.000 1.134 709 S CA -0.453 57.421 58.200 -0.542 0.000 0.897 709 S CB 2.725 65.241 63.200 -1.140 0.000 1.094 709 S HN 0.107 nan 8.310 nan 0.000 0.473 710 E N 1.247 121.387 120.200 -0.101 0.000 2.391 710 E HA 0.569 4.919 4.350 0.000 0.000 0.255 710 E C 0.426 177.023 176.600 -0.004 0.000 1.187 710 E CA -0.325 56.057 56.400 -0.031 0.000 0.941 710 E CB 0.707 30.425 29.700 0.031 0.000 1.010 710 E HN 0.912 nan 8.360 nan 0.000 0.458 711 A N 0.673 123.495 122.820 0.002 0.000 2.477 711 A HA 0.438 4.758 4.320 0.000 0.000 0.246 711 A C 0.934 178.551 177.584 0.055 0.000 1.078 711 A CA 0.578 52.626 52.037 0.018 0.000 0.770 711 A CB -0.377 18.630 19.000 0.010 0.000 1.011 711 A HN 0.780 nan 8.150 nan 0.000 0.494 712 G N 0.778 109.620 108.800 0.069 0.000 2.131 712 G HA2 -0.197 3.763 3.960 0.000 0.000 0.223 712 G HA3 -0.197 3.763 3.960 0.000 0.000 0.223 712 G C 0.177 175.135 174.900 0.098 0.000 0.990 712 G CA 0.262 45.408 45.100 0.077 0.000 0.671 712 G HN 1.297 nan 8.290 nan 0.000 0.521 713 H N 0.572 119.672 119.070 0.050 0.000 2.848 713 H HA 0.324 4.880 4.556 0.000 0.000 0.341 713 H C 0.075 175.495 175.328 0.152 0.000 1.060 713 H CA 0.155 56.259 56.048 0.093 0.000 1.444 713 H CB 0.435 30.235 29.762 0.064 0.000 1.446 713 H HN 0.100 nan 8.280 nan 0.000 0.583 714 I N 5.450 125.722 120.570 -0.496 0.000 2.307 714 I HA -0.064 4.106 4.170 0.000 0.000 0.289 714 I C 1.458 177.580 176.117 0.008 0.000 1.021 714 I CA 0.005 61.243 61.300 -0.103 0.000 1.224 714 I CB 1.167 39.159 38.000 -0.014 0.000 1.376 714 I HN 0.597 nan 8.210 nan 0.000 0.470 715 S N 4.428 120.323 115.700 0.325 0.000 2.483 715 S HA 0.441 4.911 4.470 0.000 0.000 0.221 715 S C 0.726 175.587 174.600 0.436 0.000 1.030 715 S CA 0.026 58.520 58.200 0.491 0.000 0.925 715 S CB 0.663 64.237 63.200 0.622 0.000 0.795 715 S HN 0.677 nan 8.310 nan 0.000 0.511 716 A N 0.552 123.659 122.820 0.480 0.000 2.609 716 A HA 0.682 5.002 4.320 0.000 0.000 0.291 716 A C -2.085 175.849 177.584 0.583 0.000 1.096 716 A CA -0.960 51.309 52.037 0.388 0.000 0.684 716 A CB 0.697 19.979 19.000 0.471 0.000 1.282 716 A HN 0.876 nan 8.150 nan 0.000 0.412 717 W N 0.078 121.583 121.300 0.341 0.000 3.439 717 W HA 0.730 5.390 4.660 0.000 0.000 0.323 717 W C -1.304 175.270 176.519 0.091 0.000 1.174 717 W CA -0.640 56.794 57.345 0.148 0.000 1.224 717 W CB 1.184 30.681 29.460 0.062 0.000 1.348 717 W HN 0.624 nan 8.180 nan 0.000 0.498 718 Q N 3.075 122.834 119.800 -0.070 0.000 2.325 718 Q HA 0.446 4.786 4.340 0.000 0.000 0.262 718 Q C -1.140 174.670 176.000 -0.317 0.000 0.968 718 Q CA -0.486 55.022 55.803 -0.492 0.000 0.877 718 Q CB 1.988 30.284 28.738 -0.738 0.000 1.253 718 Q HN 0.554 nan 8.270 nan 0.000 0.448 719 Q N 4.041 123.484 119.800 -0.596 0.000 2.334 719 Q HA 0.413 4.753 4.340 0.000 0.000 0.249 719 Q C -1.819 174.219 176.000 0.062 0.000 0.909 719 Q CA -0.354 55.449 55.803 -0.001 0.000 0.823 719 Q CB 0.988 29.831 28.738 0.174 0.000 1.353 719 Q HN 0.656 nan 8.270 nan 0.000 0.433 720 W N 2.901 124.357 121.300 0.261 0.000 2.844 720 W HA 0.529 5.189 4.660 0.000 0.000 0.340 720 W C -0.178 176.333 176.519 -0.014 0.000 1.093 720 W CA -1.286 56.148 57.345 0.148 0.000 1.212 720 W CB 1.573 31.068 29.460 0.058 0.000 1.422 720 W HN 0.492 nan 8.180 nan 0.000 0.515 721 R N 2.168 122.584 120.500 -0.140 0.000 2.288 721 R HA 0.145 4.485 4.340 0.000 0.000 0.330 721 R C 1.007 177.113 176.300 -0.323 0.000 1.069 721 R CA 0.011 55.670 56.100 -0.735 0.000 0.941 721 R CB 0.287 29.968 30.300 -1.032 0.000 0.998 721 R HN 0.576 nan 8.270 nan 0.000 0.452 722 L N 2.745 123.819 121.223 -0.248 0.000 2.034 722 L HA 0.154 4.494 4.340 0.000 0.000 0.203 722 L C 0.990 177.763 176.870 -0.162 0.000 1.074 722 L CA 1.075 55.828 54.840 -0.144 0.000 0.748 722 L CB -0.286 41.729 42.059 -0.074 0.000 0.905 722 L HN 0.655 nan 8.230 nan 0.000 0.439 723 A N -0.865 121.843 122.820 -0.186 0.000 2.533 723 A HA 0.678 4.998 4.320 0.000 0.000 0.293 723 A C -1.373 176.115 177.584 -0.160 0.000 1.228 723 A CA -0.405 51.546 52.037 -0.144 0.000 0.689 723 A CB 2.085 21.037 19.000 -0.080 0.000 1.303 723 A HN 0.092 nan 8.150 nan 0.000 0.444 724 E N -0.280 119.861 120.200 -0.098 0.000 2.343 724 E HA 0.455 4.806 4.350 0.000 0.000 0.278 724 E C -1.918 174.664 176.600 -0.030 0.000 0.910 724 E CA -0.645 55.715 56.400 -0.066 0.000 0.757 724 E CB 1.568 31.227 29.700 -0.067 0.000 1.218 724 E HN 0.518 nan 8.360 nan 0.000 0.435 725 N N 3.659 122.355 118.700 -0.007 0.000 2.623 725 N HA 0.294 5.034 4.740 0.000 0.000 0.256 725 N C -0.761 174.759 175.510 0.017 0.000 1.045 725 N CA -0.370 52.683 53.050 0.006 0.000 0.863 725 N CB 1.086 39.582 38.487 0.014 0.000 1.182 725 N HN 0.465 nan 8.380 nan 0.000 0.523 726 L N 0.727 121.959 121.223 0.015 0.000 2.514 726 L HA 0.055 4.395 4.340 0.000 0.000 0.280 726 L C 1.061 177.949 176.870 0.030 0.000 1.223 726 L CA 0.402 55.257 54.840 0.025 0.000 0.864 726 L CB 0.518 42.589 42.059 0.021 0.000 1.118 726 L HN 0.388 nan 8.230 nan 0.000 0.494 727 S N 1.924 117.647 115.700 0.039 0.000 2.410 727 S HA 0.251 4.721 4.470 0.000 0.000 0.304 727 S C 0.725 175.347 174.600 0.036 0.000 1.095 727 S CA -1.014 57.210 58.200 0.040 0.000 1.089 727 S CB 0.971 64.201 63.200 0.049 0.000 0.968 727 S HN 0.424 nan 8.310 nan 0.000 0.480 728 V N 2.817 122.749 119.914 0.029 0.000 3.541 728 V HA 0.174 4.294 4.120 0.000 0.000 0.267 728 V C 1.368 177.477 176.094 0.025 0.000 1.213 728 V CA 0.459 62.774 62.300 0.025 0.000 1.149 728 V CB -1.806 30.029 31.823 0.020 0.000 0.822 728 V HN 0.908 nan 8.190 nan 0.000 0.462 729 T N 0.752 115.323 114.554 0.028 0.000 2.900 729 T HA 0.461 4.811 4.350 0.000 0.000 0.307 729 T C -0.478 174.237 174.700 0.026 0.000 1.065 729 T CA -0.062 62.053 62.100 0.026 0.000 1.105 729 T CB 0.786 69.670 68.868 0.027 0.000 0.979 729 T HN 0.291 nan 8.240 nan 0.000 0.544 730 L N 3.656 124.890 121.223 0.020 0.000 2.334 730 L HA 0.506 4.846 4.340 0.000 0.000 0.276 730 L C -1.885 174.992 176.870 0.013 0.000 1.014 730 L CA -2.178 52.671 54.840 0.015 0.000 0.815 730 L CB 1.482 43.546 42.059 0.009 0.000 1.268 730 L HN 0.618 nan 8.230 nan 0.000 0.428 731 P HA 0.226 nan 4.420 nan 0.000 0.275 731 P C -0.362 176.934 177.300 -0.007 0.000 1.276 731 P CA -0.392 62.713 63.100 0.008 0.000 0.782 731 P CB 0.791 32.496 31.700 0.009 0.000 0.851 732 A N 3.987 126.804 122.820 -0.006 0.000 2.616 732 A HA 0.278 4.598 4.320 0.000 0.000 0.234 732 A C 0.993 178.542 177.584 -0.058 0.000 1.024 732 A CA 0.273 52.298 52.037 -0.021 0.000 0.758 732 A CB -0.397 18.600 19.000 -0.005 0.000 0.939 732 A HN 0.760 nan 8.150 nan 0.000 0.510 733 A N 2.930 125.698 122.820 -0.087 0.000 2.555 733 A HA 0.455 4.775 4.320 0.000 0.000 0.233 733 A C 0.848 178.264 177.584 -0.280 0.000 1.060 733 A CA 0.690 52.637 52.037 -0.150 0.000 0.759 733 A CB -0.329 18.581 19.000 -0.150 0.000 0.995 733 A HN 1.909 nan 8.150 nan 0.000 0.506 734 S N 0.687 116.224 115.700 -0.272 0.000 2.482 734 S HA 0.534 5.004 4.470 0.000 0.000 0.303 734 S C 0.169 174.567 174.600 -0.337 0.000 1.091 734 S CA -0.636 57.377 58.200 -0.313 0.000 1.057 734 S CB 1.156 64.293 63.200 -0.104 0.000 1.031 734 S HN 0.707 nan 8.310 nan 0.000 0.485 735 H N 1.988 121.064 119.070 0.010 0.000 2.307 735 H HA 0.287 4.843 4.556 0.000 0.000 0.303 735 H C 1.436 176.770 175.328 0.010 0.000 1.073 735 H CA 1.172 57.225 56.048 0.008 0.000 1.338 735 H CB -0.357 29.409 29.762 0.007 0.000 1.389 735 H HN 0.832 nan 8.280 nan 0.000 0.503 736 A N 1.111 124.011 122.820 0.134 0.000 2.346 736 A HA 0.456 4.776 4.320 0.000 0.000 0.255 736 A C 0.074 177.687 177.584 0.047 0.000 1.113 736 A CA 0.092 52.180 52.037 0.084 0.000 0.798 736 A CB -0.150 18.903 19.000 0.089 0.000 1.073 736 A HN 0.474 nan 8.150 nan 0.000 0.502 737 I N -1.085 119.515 120.570 0.050 0.000 2.667 737 I HA 0.492 4.662 4.170 0.000 0.000 0.288 737 I C -2.840 173.314 176.117 0.060 0.000 1.267 737 I CA -1.795 59.527 61.300 0.036 0.000 1.055 737 I CB 2.220 40.231 38.000 0.018 0.000 1.294 737 I HN 0.439 nan 8.210 nan 0.000 0.429 738 P HA -0.022 nan 4.420 nan 0.000 0.267 738 P C -1.257 176.104 177.300 0.102 0.000 1.195 738 P CA 0.429 63.573 63.100 0.073 0.000 0.773 738 P CB 0.209 31.899 31.700 -0.016 0.000 0.837 739 H N 2.428 121.523 119.070 0.041 0.000 2.539 739 H HA 0.431 4.987 4.556 0.000 0.000 0.332 739 H C -1.187 174.160 175.328 0.032 0.000 1.031 739 H CA -1.097 54.967 56.048 0.026 0.000 1.206 739 H CB 1.108 30.887 29.762 0.028 0.000 1.446 739 H HN 0.243 nan 8.280 nan 0.000 0.496 740 L N 4.898 125.892 121.223 -0.381 0.000 2.307 740 L HA 0.377 4.717 4.340 0.000 0.000 0.282 740 L C -0.859 175.733 176.870 -0.463 0.000 1.051 740 L CA 0.016 54.631 54.840 -0.375 0.000 0.804 740 L CB 1.667 43.605 42.059 -0.201 0.000 1.197 740 L HN 0.616 nan 8.230 nan 0.000 0.431 741 T N 2.739 117.116 114.554 -0.295 0.000 2.934 741 T HA 0.345 4.695 4.350 0.000 0.000 0.328 741 T C -0.017 174.727 174.700 0.075 0.000 1.068 741 T CA -0.442 61.598 62.100 -0.101 0.000 1.018 741 T CB 0.683 69.496 68.868 -0.091 0.000 1.009 741 T HN 0.681 nan 8.240 nan 0.000 0.471 742 T N 3.094 117.720 114.554 0.121 0.000 2.910 742 T HA 0.628 4.978 4.350 0.000 0.000 0.293 742 T C 0.425 175.189 174.700 0.106 0.000 1.015 742 T CA -0.305 61.922 62.100 0.212 0.000 1.094 742 T CB 1.090 70.094 68.868 0.227 0.000 0.968 742 T HN 0.720 nan 8.240 nan 0.000 0.521 743 S N 0.847 116.581 115.700 0.056 0.000 2.776 743 S HA 0.330 4.800 4.470 0.000 0.000 0.292 743 S C 0.458 175.026 174.600 -0.053 0.000 1.187 743 S CA -0.778 57.421 58.200 -0.002 0.000 0.834 743 S CB 1.190 64.382 63.200 -0.013 0.000 1.199 743 S HN 0.641 nan 8.310 nan 0.000 0.514 744 E N 0.239 120.408 120.200 -0.052 0.000 2.299 744 E HA 0.133 4.483 4.350 0.000 0.000 0.193 744 E C 0.764 177.300 176.600 -0.108 0.000 0.998 744 E CA 0.670 57.031 56.400 -0.065 0.000 0.851 744 E CB -0.068 29.611 29.700 -0.035 0.000 0.795 744 E HN 0.582 nan 8.360 nan 0.000 0.492 745 M N 0.879 120.407 119.600 -0.120 0.000 2.347 745 M HA 0.100 4.580 4.480 0.000 0.000 0.324 745 M C -0.711 175.479 176.300 -0.183 0.000 1.028 745 M CA -0.054 55.170 55.300 -0.126 0.000 0.988 745 M CB 0.666 33.230 32.600 -0.061 0.000 1.528 745 M HN -0.012 nan 8.290 nan 0.000 0.550 746 D N -0.546 119.679 120.400 -0.292 0.000 2.792 746 D HA 0.290 4.930 4.640 0.000 0.000 0.335 746 D C -1.392 174.631 176.300 -0.462 0.000 1.353 746 D CA -0.470 53.338 54.000 -0.320 0.000 0.839 746 D CB 0.972 41.739 40.800 -0.055 0.000 1.396 746 D HN -0.141 nan 8.370 nan 0.000 0.479 747 F N 0.271 120.282 119.950 0.102 0.000 2.902 747 F HA 0.374 4.901 4.527 0.000 0.000 0.368 747 F C -0.239 175.617 175.800 0.095 0.000 1.202 747 F CA -1.391 56.640 58.000 0.052 0.000 1.109 747 F CB 1.486 40.475 39.000 -0.017 0.000 1.418 747 F HN 0.408 nan 8.300 nan 0.000 0.527 748 C N 4.487 123.918 119.300 0.218 0.000 2.435 748 C HA 0.728 5.188 4.460 0.000 0.000 0.375 748 C C 0.017 175.058 174.990 0.085 0.000 1.281 748 C CA -0.295 58.816 59.018 0.156 0.000 1.963 748 C CB -0.468 27.303 27.740 0.051 0.000 2.490 748 C HN 0.496 nan 8.230 nan 0.000 0.557 749 I N 4.195 124.877 120.570 0.187 0.000 2.433 749 I HA 0.501 4.671 4.170 0.000 0.000 0.292 749 I C 0.093 176.379 176.117 0.281 0.000 1.001 749 I CA -0.013 61.388 61.300 0.168 0.000 1.119 749 I CB 1.396 39.527 38.000 0.218 0.000 1.289 749 I HN 0.623 nan 8.210 nan 0.000 0.438 750 E N 5.005 125.321 120.200 0.193 0.000 2.343 750 E HA 0.756 5.106 4.350 0.000 0.000 0.270 750 E C -1.687 175.079 176.600 0.276 0.000 0.895 750 E CA -0.876 55.658 56.400 0.224 0.000 0.767 750 E CB 2.684 32.483 29.700 0.164 0.000 1.248 750 E HN 0.500 nan 8.360 nan 0.000 0.440 751 L N 3.290 124.657 121.223 0.239 0.000 2.635 751 L HA 0.385 4.725 4.340 0.000 0.000 0.251 751 L C -0.234 176.711 176.870 0.125 0.000 1.056 751 L CA 0.709 55.683 54.840 0.223 0.000 0.936 751 L CB 0.683 42.939 42.059 0.328 0.000 1.162 751 L HN 0.813 nan 8.230 nan 0.000 0.481 752 G N 3.349 112.191 108.800 0.070 0.000 2.498 752 G HA2 -0.357 3.603 3.960 0.000 0.000 0.251 752 G HA3 -0.357 3.603 3.960 0.000 0.000 0.251 752 G C 0.480 175.373 174.900 -0.013 0.000 1.170 752 G CA 0.462 45.577 45.100 0.026 0.000 0.944 752 G HN 1.088 nan 8.290 nan 0.000 0.567 753 N N 1.199 119.877 118.700 -0.038 0.000 2.396 753 N HA 0.031 4.771 4.740 0.000 0.000 0.180 753 N C 0.787 176.228 175.510 -0.115 0.000 1.028 753 N CA 1.783 54.792 53.050 -0.068 0.000 0.893 753 N CB -0.217 38.234 38.487 -0.061 0.000 0.967 753 N HN 0.929 nan 8.380 nan 0.000 0.440 754 K N 0.364 120.661 120.400 -0.172 0.000 2.118 754 K HA 0.474 4.794 4.320 0.000 0.000 0.267 754 K C -0.355 175.988 176.600 -0.429 0.000 0.991 754 K CA -0.589 55.466 56.287 -0.386 0.000 0.916 754 K CB 1.241 33.342 32.500 -0.665 0.000 1.041 754 K HN 0.121 nan 8.250 nan 0.000 0.455 755 R N 1.501 121.711 120.500 -0.483 0.000 2.651 755 R HA 0.394 4.734 4.340 0.000 0.000 0.278 755 R C -1.292 174.925 176.300 -0.138 0.000 1.010 755 R CA -0.901 55.078 56.100 -0.202 0.000 0.896 755 R CB 1.583 31.814 30.300 -0.114 0.000 1.211 755 R HN 0.559 nan 8.270 nan 0.000 0.456 756 W N 2.736 124.147 121.300 0.184 0.000 2.411 756 W HA 0.325 4.985 4.660 0.000 0.000 0.317 756 W C -0.390 176.301 176.519 0.287 0.000 1.030 756 W CA -0.496 56.968 57.345 0.199 0.000 1.239 756 W CB 2.090 31.679 29.460 0.214 0.000 1.304 756 W HN 0.519 nan 8.180 nan 0.000 0.437 757 Q N 3.020 123.054 119.800 0.391 0.000 2.322 757 Q HA 0.412 4.752 4.340 0.000 0.000 0.265 757 Q C -1.750 174.371 176.000 0.202 0.000 0.985 757 Q CA -0.502 55.520 55.803 0.366 0.000 0.849 757 Q CB 1.202 30.159 28.738 0.366 0.000 1.274 757 Q HN 0.291 nan 8.270 nan 0.000 0.449 758 F N 3.131 123.167 119.950 0.143 0.000 2.388 758 F HA 0.277 4.804 4.527 0.000 0.000 0.358 758 F C 0.591 176.406 175.800 0.026 0.000 1.122 758 F CA -0.920 57.139 58.000 0.099 0.000 1.056 758 F CB 1.155 40.253 39.000 0.164 0.000 1.155 758 F HN 0.534 nan 8.300 nan 0.000 0.461 759 N N 3.831 122.610 118.700 0.131 0.000 2.452 759 N HA 0.018 4.758 4.740 0.000 0.000 0.266 759 N C 0.967 176.483 175.510 0.009 0.000 1.209 759 N CA 0.127 53.211 53.050 0.058 0.000 0.929 759 N CB 0.660 39.190 38.487 0.071 0.000 1.063 759 N HN 0.680 nan 8.380 nan 0.000 0.472 760 R N 2.462 122.893 120.500 -0.114 0.000 2.280 760 R HA -0.074 4.266 4.340 0.000 0.000 0.207 760 R C 0.998 177.247 176.300 -0.086 0.000 1.043 760 R CA 1.057 57.049 56.100 -0.179 0.000 1.006 760 R CB 0.213 30.285 30.300 -0.380 0.000 0.885 760 R HN 0.695 nan 8.270 nan 0.000 0.467 761 Q N -0.608 119.166 119.800 -0.043 0.000 2.378 761 Q HA 0.076 4.416 4.340 0.000 0.000 0.216 761 Q C 1.772 177.770 176.000 -0.004 0.000 0.892 761 Q CA 0.765 56.553 55.803 -0.025 0.000 0.931 761 Q CB 0.709 29.442 28.738 -0.010 0.000 1.086 761 Q HN 0.193 nan 8.270 nan 0.000 0.528 762 S N -0.180 115.533 115.700 0.020 0.000 2.427 762 S HA 0.229 4.699 4.470 0.000 0.000 0.224 762 S C 1.768 176.302 174.600 -0.110 0.000 1.047 762 S CA 0.764 58.997 58.200 0.055 0.000 0.953 762 S CB 0.054 63.375 63.200 0.202 0.000 0.824 762 S HN 0.502 nan 8.310 nan 0.000 0.502 763 G N 0.293 109.051 108.800 -0.070 0.000 2.176 763 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 763 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 763 G C -0.107 174.763 174.900 -0.050 0.000 0.979 763 G CA 0.331 45.384 45.100 -0.078 0.000 0.641 763 G HN 0.511 nan 8.290 nan 0.000 0.530 764 F N -0.153 119.961 119.950 0.275 0.000 2.432 764 F HA 0.688 5.215 4.527 0.000 0.000 0.329 764 F C 0.589 176.322 175.800 -0.111 0.000 1.076 764 F CA -1.528 56.560 58.000 0.146 0.000 1.018 764 F CB 1.209 40.257 39.000 0.080 0.000 1.201 764 F HN 0.038 nan 8.300 nan 0.000 0.489 765 L N 1.835 122.944 121.223 -0.189 0.000 2.698 765 L HA 0.103 4.443 4.340 0.000 0.000 0.272 765 L C 0.809 177.543 176.870 -0.226 0.000 1.154 765 L CA 0.827 55.243 54.840 -0.707 0.000 0.964 765 L CB -0.169 41.415 42.059 -0.791 0.000 1.272 765 L HN 0.655 nan 8.230 nan 0.000 0.483 766 S N 2.278 117.883 115.700 -0.158 0.000 2.446 766 S HA 0.090 4.560 4.470 0.000 0.000 0.225 766 S C 0.456 174.982 174.600 -0.124 0.000 1.016 766 S CA 0.544 58.706 58.200 -0.064 0.000 0.943 766 S CB -0.025 63.179 63.200 0.007 0.000 0.786 766 S HN 0.792 nan 8.310 nan 0.000 0.508 767 Q N -0.241 119.460 119.800 -0.165 0.000 2.575 767 Q HA 0.639 4.979 4.340 0.000 0.000 0.290 767 Q C -1.414 174.376 176.000 -0.351 0.000 0.963 767 Q CA -0.638 54.968 55.803 -0.328 0.000 0.783 767 Q CB 1.387 29.826 28.738 -0.498 0.000 1.467 767 Q HN 0.238 nan 8.270 nan 0.000 0.402 768 M N 0.737 119.993 119.600 -0.573 0.000 2.465 768 M HA 0.723 5.203 4.480 0.000 0.000 0.284 768 M C -2.026 173.946 176.300 -0.546 0.000 1.212 768 M CA -0.294 54.749 55.300 -0.429 0.000 0.910 768 M CB 1.876 34.226 32.600 -0.418 0.000 1.725 768 M HN 0.601 nan 8.290 nan 0.000 0.477 769 W N 4.313 125.393 121.300 -0.366 0.000 2.998 769 W HA 0.579 5.239 4.660 0.000 0.000 0.335 769 W C -1.653 174.666 176.519 -0.335 0.000 1.110 769 W CA -0.730 56.445 57.345 -0.283 0.000 1.230 769 W CB 2.027 31.350 29.460 -0.229 0.000 1.405 769 W HN 0.573 nan 8.180 nan 0.000 0.493 770 I N 3.587 124.148 120.570 -0.016 0.000 2.437 770 I HA 0.385 4.555 4.170 0.000 0.000 0.279 770 I C 0.845 176.956 176.117 -0.011 0.000 1.028 770 I CA 0.153 61.402 61.300 -0.085 0.000 1.142 770 I CB 0.860 38.779 38.000 -0.134 0.000 1.266 770 I HN 0.718 nan 8.210 nan 0.000 0.461 771 G N 5.772 114.564 108.800 -0.013 0.000 2.557 771 G HA2 -0.325 3.636 3.960 0.000 0.000 0.292 771 G HA3 -0.325 3.636 3.960 0.000 0.000 0.292 771 G C 0.529 175.465 174.900 0.060 0.000 1.162 771 G CA 0.547 45.643 45.100 -0.006 0.000 0.964 771 G HN 0.691 nan 8.290 nan 0.000 0.541 772 D N 1.017 121.464 120.400 0.078 0.000 2.389 772 D HA 0.141 4.782 4.640 0.000 0.000 0.206 772 D C 0.795 177.220 176.300 0.208 0.000 1.055 772 D CA 0.390 54.468 54.000 0.130 0.000 0.856 772 D CB 0.184 41.011 40.800 0.046 0.000 0.957 772 D HN 0.523 nan 8.370 nan 0.000 0.509 773 K N 1.232 121.706 120.400 0.124 0.000 2.316 773 K HA 0.254 4.574 4.320 0.000 0.000 0.289 773 K C -0.129 176.423 176.600 -0.080 0.000 1.070 773 K CA -0.314 55.986 56.287 0.021 0.000 0.928 773 K CB 1.446 33.929 32.500 -0.029 0.000 1.039 773 K HN -0.133 nan 8.250 nan 0.000 0.480 774 K N 2.295 122.558 120.400 -0.227 0.000 2.350 774 K HA 0.011 4.331 4.320 0.000 0.000 0.279 774 K C 0.881 177.268 176.600 -0.355 0.000 1.027 774 K CA -0.193 55.760 56.287 -0.557 0.000 0.969 774 K CB 0.798 32.991 32.500 -0.512 0.000 0.954 774 K HN 0.422 nan 8.250 nan 0.000 0.474 775 Q N 1.451 121.023 119.800 -0.380 0.000 2.259 775 Q HA 0.152 4.492 4.340 0.000 0.000 0.201 775 Q C 0.336 176.255 176.000 -0.136 0.000 0.938 775 Q CA 0.877 56.581 55.803 -0.165 0.000 0.872 775 Q CB 0.204 28.923 28.738 -0.032 0.000 0.971 775 Q HN 0.491 nan 8.270 nan 0.000 0.494 776 L N -0.071 121.020 121.223 -0.219 0.000 2.332 776 L HA 0.368 4.708 4.340 0.000 0.000 0.269 776 L C 0.851 177.587 176.870 -0.224 0.000 1.016 776 L CA -0.461 54.267 54.840 -0.187 0.000 0.809 776 L CB 1.095 43.054 42.059 -0.166 0.000 1.280 776 L HN -0.080 nan 8.230 nan 0.000 0.447 777 L N -0.225 120.859 121.223 -0.232 0.000 2.609 777 L HA 0.235 4.575 4.340 0.000 0.000 0.230 777 L C -0.019 176.727 176.870 -0.208 0.000 1.064 777 L CA 0.662 55.369 54.840 -0.222 0.000 0.873 777 L CB 0.858 42.762 42.059 -0.258 0.000 1.139 777 L HN 0.666 nan 8.230 nan 0.000 0.490 778 T N -0.425 113.982 114.554 -0.245 0.000 2.912 778 T HA 0.431 4.781 4.350 0.000 0.000 0.299 778 T C -2.676 171.930 174.700 -0.156 0.000 1.052 778 T CA -1.390 60.593 62.100 -0.195 0.000 0.996 778 T CB 2.067 70.776 68.868 -0.265 0.000 1.070 778 T HN -0.317 nan 8.240 nan 0.000 0.465 779 P HA 0.139 nan 4.420 nan 0.000 0.271 779 P C -0.663 176.578 177.300 -0.098 0.000 1.233 779 P CA -0.690 62.362 63.100 -0.081 0.000 0.795 779 P CB 0.435 32.110 31.700 -0.043 0.000 0.936 780 L N 1.816 123.005 121.223 -0.056 0.000 2.255 780 L HA 0.379 4.719 4.340 0.000 0.000 0.289 780 L C 0.063 176.843 176.870 -0.151 0.000 1.046 780 L CA 0.006 54.827 54.840 -0.031 0.000 0.816 780 L CB -0.147 41.989 42.059 0.129 0.000 1.197 780 L HN 0.345 nan 8.230 nan 0.000 0.427 781 R N 2.359 122.691 120.500 -0.280 0.000 2.867 781 R HA 0.543 4.884 4.340 0.000 0.000 0.268 781 R C -1.104 175.032 176.300 -0.274 0.000 1.014 781 R CA -0.998 54.818 56.100 -0.473 0.000 0.946 781 R CB 0.843 30.540 30.300 -1.005 0.000 1.208 781 R HN 0.394 nan 8.270 nan 0.000 0.477 782 D N 1.919 122.204 120.400 -0.191 0.000 2.472 782 D HA -0.066 4.574 4.640 0.000 0.000 0.248 782 D C -0.636 175.153 176.300 -0.852 0.000 1.174 782 D CA 0.998 54.763 54.000 -0.392 0.000 0.883 782 D CB 0.969 41.678 40.800 -0.152 0.000 1.149 782 D HN 0.294 nan 8.370 nan 0.000 0.488 783 Q N 2.074 121.272 119.800 -1.004 0.000 2.331 783 Q HA 0.259 4.599 4.340 0.000 0.000 0.267 783 Q C -0.577 174.653 176.000 -1.283 0.000 1.006 783 Q CA -0.661 54.568 55.803 -0.957 0.000 0.818 783 Q CB 0.910 29.345 28.738 -0.505 0.000 1.276 783 Q HN 0.350 nan 8.270 nan 0.000 0.450 784 F N 0.256 119.855 119.950 -0.586 0.000 2.746 784 F HA 0.160 4.687 4.527 0.000 0.000 0.320 784 F C 0.627 176.033 175.800 -0.656 0.000 1.097 784 F CA -0.188 57.377 58.000 -0.725 0.000 1.195 784 F CB 1.076 39.419 39.000 -1.094 0.000 1.056 784 F HN 0.361 nan 8.300 nan 0.000 0.562 785 T N -0.909 113.373 114.554 -0.454 0.000 2.926 785 T HA 0.732 5.082 4.350 0.000 0.000 0.289 785 T C -0.444 174.018 174.700 -0.396 0.000 1.054 785 T CA -0.983 60.783 62.100 -0.557 0.000 1.015 785 T CB 2.830 71.316 68.868 -0.638 0.000 1.167 785 T HN 0.225 nan 8.240 nan 0.000 0.526 786 R N -0.029 120.251 120.500 -0.366 0.000 2.807 786 R HA 0.758 5.098 4.340 0.000 0.000 0.276 786 R C -0.929 175.395 176.300 0.039 0.000 0.979 786 R CA -1.129 54.893 56.100 -0.131 0.000 0.928 786 R CB 1.658 31.916 30.300 -0.070 0.000 1.191 786 R HN 0.794 nan 8.270 nan 0.000 0.471 787 A N 4.001 126.840 122.820 0.032 0.000 2.410 787 A HA 0.315 4.635 4.320 0.000 0.000 0.292 787 A C -2.015 175.611 177.584 0.071 0.000 1.232 787 A CA -1.719 50.342 52.037 0.041 0.000 0.893 787 A CB -0.361 18.612 19.000 -0.046 0.000 1.131 787 A HN 0.590 nan 8.150 nan 0.000 0.530 788 P HA -0.041 nan 4.420 nan 0.000 0.262 788 P C -0.451 176.928 177.300 0.132 0.000 1.151 788 P CA 0.813 64.042 63.100 0.216 0.000 0.757 788 P CB 0.083 31.932 31.700 0.248 0.000 0.754 789 L N 2.247 123.520 121.223 0.083 0.000 2.454 789 L HA 0.338 4.678 4.340 0.000 0.000 0.256 789 L C 1.888 178.727 176.870 -0.052 0.000 1.136 789 L CA -0.576 54.248 54.840 -0.028 0.000 0.804 789 L CB -0.091 41.876 42.059 -0.153 0.000 1.181 789 L HN 0.196 nan 8.230 nan 0.000 0.469 790 D N 0.321 120.621 120.400 -0.167 0.000 2.123 790 D HA -0.161 4.479 4.640 0.000 0.000 0.196 790 D C 1.622 177.805 176.300 -0.195 0.000 0.992 790 D CA 1.411 55.240 54.000 -0.285 0.000 0.833 790 D CB 0.010 40.556 40.800 -0.423 0.000 0.954 790 D HN 0.542 nan 8.370 nan 0.000 0.455 791 N N 1.173 119.775 118.700 -0.163 0.000 2.223 791 N HA -0.123 4.617 4.740 0.000 0.000 0.185 791 N C 1.059 176.558 175.510 -0.018 0.000 1.016 791 N CA 0.825 53.818 53.050 -0.096 0.000 0.863 791 N CB -0.214 38.211 38.487 -0.104 0.000 0.983 791 N HN 0.340 nan 8.380 nan 0.000 0.429 792 D N 0.350 120.752 120.400 0.003 0.000 2.323 792 D HA 0.078 4.718 4.640 0.000 0.000 0.209 792 D C 1.911 178.244 176.300 0.056 0.000 0.973 792 D CA 0.218 54.257 54.000 0.065 0.000 0.874 792 D CB 0.282 41.172 40.800 0.148 0.000 0.930 792 D HN 0.331 nan 8.370 nan 0.000 0.521 793 I N 0.205 120.785 120.570 0.015 0.000 2.556 793 I HA 0.078 4.248 4.170 0.000 0.000 0.251 793 I C 1.858 177.986 176.117 0.018 0.000 1.105 793 I CA 0.718 62.020 61.300 0.003 0.000 1.436 793 I CB -0.118 37.843 38.000 -0.065 0.000 1.139 793 I HN 0.071 nan 8.210 nan 0.000 0.438 794 G N 1.195 110.015 108.800 0.034 0.000 2.561 794 G HA2 -0.349 3.611 3.960 0.000 0.000 0.289 794 G HA3 -0.349 3.611 3.960 0.000 0.000 0.289 794 G C 0.717 175.797 174.900 0.300 0.000 1.169 794 G CA 0.860 46.060 45.100 0.168 0.000 0.980 794 G HN 0.612 nan 8.290 nan 0.000 0.550 795 V N -2.186 117.881 119.914 0.255 0.000 3.483 795 V HA 0.660 4.780 4.120 0.000 0.000 0.301 795 V C 1.194 177.358 176.094 0.117 0.000 1.389 795 V CA 1.195 63.640 62.300 0.242 0.000 1.101 795 V CB 0.325 32.212 31.823 0.108 0.000 0.971 795 V HN 1.189 nan 8.190 nan 0.000 0.434 796 S N 1.643 117.389 115.700 0.076 0.000 2.544 796 S HA 0.209 4.679 4.470 0.000 0.000 0.290 796 S C 0.083 174.705 174.600 0.035 0.000 1.276 796 S CA 0.363 58.587 58.200 0.040 0.000 1.075 796 S CB -0.108 63.105 63.200 0.023 0.000 0.849 796 S HN 0.811 nan 8.310 nan 0.000 0.494 797 E N 1.479 121.698 120.200 0.032 0.000 2.410 797 E HA 0.556 4.906 4.350 0.000 0.000 0.269 797 E C 0.689 177.307 176.600 0.029 0.000 0.937 797 E CA -0.664 55.755 56.400 0.033 0.000 0.793 797 E CB 1.399 31.122 29.700 0.038 0.000 1.314 797 E HN 0.561 nan 8.360 nan 0.000 0.447 798 A N 0.336 123.176 122.820 0.033 0.000 1.902 798 A HA -0.149 4.171 4.320 0.000 0.000 0.217 798 A C 1.916 179.516 177.584 0.027 0.000 1.181 798 A CA 2.240 54.296 52.037 0.031 0.000 0.623 798 A CB -0.796 18.226 19.000 0.036 0.000 0.818 798 A HN 0.640 nan 8.150 nan 0.000 0.443 799 T N -1.383 113.188 114.554 0.028 0.000 2.904 799 T HA 0.048 4.398 4.350 0.000 0.000 0.267 799 T C 1.104 175.814 174.700 0.016 0.000 1.059 799 T CA 1.003 63.117 62.100 0.022 0.000 1.137 799 T CB -0.030 68.852 68.868 0.024 0.000 0.879 799 T HN 0.346 nan 8.240 nan 0.000 0.467 800 R N 0.634 121.143 120.500 0.015 0.000 2.443 800 R HA 0.433 4.773 4.340 0.000 0.000 0.287 800 R C -1.335 174.970 176.300 0.009 0.000 1.425 800 R CA -0.417 55.688 56.100 0.008 0.000 1.300 800 R CB 0.289 30.590 30.300 0.001 0.000 1.129 800 R HN 0.216 nan 8.270 nan 0.000 0.577 801 I N 1.512 122.086 120.570 0.008 0.000 2.618 801 I HA -0.048 4.122 4.170 0.000 0.000 0.284 801 I C 0.463 176.578 176.117 -0.003 0.000 1.146 801 I CA 0.476 61.780 61.300 0.006 0.000 1.425 801 I CB 0.506 38.510 38.000 0.007 0.000 1.383 801 I HN 0.313 nan 8.210 nan 0.000 0.562 802 D N 8.982 129.379 120.400 -0.005 0.000 2.473 802 D HA 0.279 4.919 4.640 0.000 0.000 0.226 802 D C -1.694 174.581 176.300 -0.041 0.000 1.089 802 D CA -2.349 51.641 54.000 -0.017 0.000 0.883 802 D CB 1.288 42.085 40.800 -0.005 0.000 1.029 802 D HN 0.148 nan 8.370 nan 0.000 0.517 803 P HA -0.134 nan 4.420 nan 0.000 0.218 803 P C 0.707 177.931 177.300 -0.126 0.000 1.148 803 P CA 0.913 63.970 63.100 -0.072 0.000 0.822 803 P CB 0.327 31.990 31.700 -0.061 0.000 0.784 804 N N -0.132 118.488 118.700 -0.133 0.000 2.494 804 N HA 0.027 4.767 4.740 0.000 0.000 0.182 804 N C 0.866 176.201 175.510 -0.292 0.000 1.076 804 N CA 0.238 53.161 53.050 -0.212 0.000 0.908 804 N CB -0.220 38.163 38.487 -0.174 0.000 0.967 804 N HN 0.116 nan 8.380 nan 0.000 0.449 805 A N 0.502 123.203 122.820 -0.198 0.000 2.511 805 A HA 0.009 4.329 4.320 0.000 0.000 0.242 805 A C 0.794 178.199 177.584 -0.298 0.000 1.069 805 A CA -0.341 51.581 52.037 -0.191 0.000 0.763 805 A CB -0.005 18.951 19.000 -0.073 0.000 1.001 805 A HN 0.317 nan 8.150 nan 0.000 0.498 806 W N 2.025 123.067 121.300 -0.431 0.000 2.292 806 W HA -0.247 4.413 4.660 0.000 0.000 0.330 806 W C 2.305 178.326 176.519 -0.830 0.000 1.264 806 W CA 1.970 58.776 57.345 -0.898 0.000 1.235 806 W CB -0.693 28.089 29.460 -1.130 0.000 1.164 806 W HN 0.563 nan 8.180 nan 0.000 0.461 807 V N 1.036 120.874 119.914 -0.126 0.000 2.311 807 V HA -0.370 3.750 4.120 0.000 0.000 0.256 807 V C 2.200 178.392 176.094 0.164 0.000 1.077 807 V CA 2.455 64.892 62.300 0.228 0.000 1.067 807 V CB -0.469 31.486 31.823 0.220 0.000 0.659 807 V HN 0.195 nan 8.190 nan 0.000 0.451 808 E N -0.558 119.649 120.200 0.011 0.000 2.107 808 E HA -0.138 4.212 4.350 0.000 0.000 0.191 808 E C 2.356 178.950 176.600 -0.011 0.000 0.982 808 E CA 0.957 57.363 56.400 0.010 0.000 0.809 808 E CB -0.299 29.381 29.700 -0.032 0.000 0.756 808 E HN 0.640 nan 8.360 nan 0.000 0.459 809 R N -0.032 120.391 120.500 -0.128 0.000 2.061 809 R HA -0.122 4.218 4.340 0.000 0.000 0.230 809 R C 2.296 178.587 176.300 -0.015 0.000 1.140 809 R CA 1.258 57.267 56.100 -0.153 0.000 0.940 809 R CB -0.407 29.677 30.300 -0.360 0.000 0.839 809 R HN 0.249 nan 8.270 nan 0.000 0.429 810 W N 1.740 123.002 121.300 -0.065 0.000 2.304 810 W HA -0.202 4.458 4.660 0.000 0.000 0.315 810 W C 2.081 178.595 176.519 -0.009 0.000 1.233 810 W CA 0.946 58.166 57.345 -0.209 0.000 1.261 810 W CB -0.780 28.684 29.460 0.008 0.000 1.150 810 W HN 0.185 nan 8.180 nan 0.000 0.494 811 K N -0.432 120.219 120.400 0.417 0.000 2.026 811 K HA -0.082 4.238 4.320 0.000 0.000 0.208 811 K C 2.158 178.857 176.600 0.165 0.000 1.048 811 K CA 1.627 58.115 56.287 0.335 0.000 0.929 811 K CB -0.596 32.040 32.500 0.227 0.000 0.713 811 K HN 0.020 nan 8.250 nan 0.000 0.439 812 A N 0.824 123.710 122.820 0.110 0.000 2.121 812 A HA 0.007 4.327 4.320 0.000 0.000 0.218 812 A C 1.953 179.579 177.584 0.070 0.000 1.154 812 A CA 1.472 53.555 52.037 0.077 0.000 0.679 812 A CB -0.243 18.784 19.000 0.046 0.000 0.795 812 A HN 0.319 nan 8.150 nan 0.000 0.458 813 A N -2.031 120.820 122.820 0.051 0.000 2.308 813 A HA 0.454 4.774 4.320 0.000 0.000 0.217 813 A C 1.671 179.242 177.584 -0.022 0.000 1.216 813 A CA 1.010 53.086 52.037 0.066 0.000 0.864 813 A CB -0.632 18.402 19.000 0.058 0.000 0.902 813 A HN 1.726 nan 8.150 nan 0.000 0.499 814 G N -1.014 107.666 108.800 -0.199 0.000 2.159 814 G HA2 -0.330 3.630 3.960 0.000 0.000 0.256 814 G HA3 -0.330 3.630 3.960 0.000 0.000 0.256 814 G C 0.754 175.626 174.900 -0.047 0.000 0.977 814 G CA 0.726 45.493 45.100 -0.555 0.000 0.652 814 G HN 0.714 nan 8.290 nan 0.000 0.531 815 H N -1.233 117.792 119.070 -0.076 0.000 2.353 815 H HA -0.162 4.394 4.556 0.000 0.000 0.298 815 H C 2.190 177.448 175.328 -0.118 0.000 1.103 815 H CA 1.842 57.845 56.048 -0.076 0.000 1.293 815 H CB 0.019 29.692 29.762 -0.147 0.000 1.372 815 H HN 0.615 nan 8.280 nan 0.000 0.501 816 Y N 0.675 121.068 120.300 0.153 0.000 2.516 816 Y HA -0.072 4.479 4.550 0.000 0.000 0.291 816 Y C 1.489 177.443 175.900 0.091 0.000 1.131 816 Y CA 0.642 58.798 58.100 0.093 0.000 1.281 816 Y CB 0.309 38.815 38.460 0.076 0.000 1.013 816 Y HN 0.301 nan 8.280 nan 0.000 0.554 817 Q N -0.409 119.513 119.800 0.203 0.000 2.135 817 Q HA 0.445 4.785 4.340 0.000 0.000 0.231 817 Q C 0.250 176.389 176.000 0.230 0.000 0.817 817 Q CA -0.240 55.684 55.803 0.201 0.000 1.073 817 Q CB 0.772 29.627 28.738 0.195 0.000 1.176 817 Q HN 0.185 nan 8.270 nan 0.000 0.478 818 A N 1.682 124.645 122.820 0.239 0.000 2.445 818 A HA 0.190 4.510 4.320 0.000 0.000 0.242 818 A C -0.010 177.817 177.584 0.405 0.000 1.075 818 A CA -0.034 52.198 52.037 0.326 0.000 0.777 818 A CB 0.383 19.601 19.000 0.364 0.000 1.013 818 A HN 0.214 nan 8.150 nan 0.000 0.493 819 E N 0.826 121.213 120.200 0.313 0.000 2.171 819 E HA 0.478 4.829 4.350 0.000 0.000 0.271 819 E C -0.434 176.173 176.600 0.012 0.000 0.916 819 E CA -0.610 55.911 56.400 0.203 0.000 0.774 819 E CB 1.909 31.688 29.700 0.132 0.000 1.128 819 E HN 0.723 nan 8.360 nan 0.000 0.403 820 A N 2.253 124.996 122.820 -0.128 0.000 2.409 820 A HA 0.500 4.820 4.320 0.000 0.000 0.267 820 A C -0.132 177.333 177.584 -0.198 0.000 1.127 820 A CA -0.217 51.511 52.037 -0.515 0.000 0.795 820 A CB 0.328 19.057 19.000 -0.452 0.000 1.061 820 A HN 0.605 nan 8.150 nan 0.000 0.502 821 A N 3.298 125.989 122.820 -0.215 0.000 2.287 821 A HA 0.571 4.891 4.320 0.000 0.000 0.317 821 A C -0.282 177.246 177.584 -0.095 0.000 1.220 821 A CA -0.599 51.382 52.037 -0.093 0.000 0.835 821 A CB 0.374 19.335 19.000 -0.065 0.000 1.180 821 A HN 0.895 nan 8.150 nan 0.000 0.500 822 L N 2.827 124.000 121.223 -0.085 0.000 2.499 822 L HA 0.141 4.482 4.340 0.000 0.000 0.273 822 L C 0.697 177.477 176.870 -0.150 0.000 1.195 822 L CA 0.259 54.989 54.840 -0.183 0.000 0.882 822 L CB 0.326 42.291 42.059 -0.156 0.000 1.133 822 L HN 0.829 nan 8.230 nan 0.000 0.483 823 L N 3.048 124.158 121.223 -0.188 0.000 2.717 823 L HA 0.270 4.610 4.340 0.000 0.000 0.239 823 L C 0.210 177.025 176.870 -0.093 0.000 1.086 823 L CA 0.080 54.858 54.840 -0.104 0.000 0.897 823 L CB 0.404 42.421 42.059 -0.070 0.000 1.214 823 L HN 0.734 nan 8.230 nan 0.000 0.508 824 Q N -0.113 119.602 119.800 -0.140 0.000 2.599 824 Q HA 0.206 4.546 4.340 0.000 0.000 0.248 824 Q C -2.112 173.828 176.000 -0.099 0.000 0.964 824 Q CA -0.441 55.309 55.803 -0.089 0.000 1.011 824 Q CB 2.297 31.006 28.738 -0.050 0.000 1.592 824 Q HN 0.058 nan 8.270 nan 0.000 0.443 825 C N 3.389 122.673 119.300 -0.026 0.000 2.599 825 C HA 0.915 5.375 4.460 0.000 0.000 0.354 825 C C -1.100 173.958 174.990 0.113 0.000 1.092 825 C CA 0.612 59.660 59.018 0.049 0.000 1.280 825 C CB 0.863 28.638 27.740 0.059 0.000 1.829 825 C HN 0.848 nan 8.230 nan 0.000 0.454 826 T N 2.641 117.226 114.554 0.051 0.000 2.894 826 T HA 0.854 5.204 4.350 0.000 0.000 0.309 826 T C -0.601 173.944 174.700 -0.259 0.000 1.208 826 T CA -0.238 61.835 62.100 -0.045 0.000 1.016 826 T CB 1.642 70.481 68.868 -0.049 0.000 1.192 826 T HN 1.641 nan 8.240 nan 0.000 0.491 827 A N 1.538 124.077 122.820 -0.468 0.000 2.356 827 A HA 0.863 5.183 4.320 0.000 0.000 0.323 827 A C -0.995 176.379 177.584 -0.351 0.000 1.119 827 A CA -0.616 51.044 52.037 -0.627 0.000 0.790 827 A CB 1.202 19.481 19.000 -1.202 0.000 1.273 827 A HN 0.903 nan 8.150 nan 0.000 0.452 828 D N 0.180 120.410 120.400 -0.285 0.000 2.837 828 D HA 0.420 5.060 4.640 0.000 0.000 0.220 828 D C -1.250 174.955 176.300 -0.158 0.000 1.236 828 D CA -0.016 53.875 54.000 -0.181 0.000 0.838 828 D CB 2.398 43.120 40.800 -0.130 0.000 1.647 828 D HN 0.504 nan 8.370 nan 0.000 0.486 829 T N 1.266 115.752 114.554 -0.114 0.000 2.829 829 T HA 0.633 4.983 4.350 0.000 0.000 0.282 829 T C -0.003 174.657 174.700 -0.067 0.000 0.990 829 T CA -0.589 61.457 62.100 -0.090 0.000 1.028 829 T CB 1.450 70.277 68.868 -0.068 0.000 0.951 829 T HN 0.096 nan 8.240 nan 0.000 0.460 830 L N 1.064 122.250 121.223 -0.062 0.000 2.230 830 L HA 0.782 5.122 4.340 0.000 0.000 0.255 830 L C 1.518 178.366 176.870 -0.037 0.000 1.039 830 L CA -0.743 54.068 54.840 -0.049 0.000 0.846 830 L CB 0.448 42.475 42.059 -0.054 0.000 1.419 830 L HN 0.742 nan 8.230 nan 0.000 0.435 831 A N 0.314 123.116 122.820 -0.031 0.000 1.848 831 A HA -0.189 4.132 4.320 0.000 0.000 0.211 831 A C 1.314 178.882 177.584 -0.027 0.000 1.225 831 A CA 1.902 53.924 52.037 -0.025 0.000 0.637 831 A CB -1.163 17.824 19.000 -0.022 0.000 0.867 831 A HN 0.882 nan 8.150 nan 0.000 0.463 832 D N -0.517 119.865 120.400 -0.030 0.000 2.378 832 D HA 0.399 5.039 4.640 0.000 0.000 0.222 832 D C 0.542 176.817 176.300 -0.041 0.000 0.980 832 D CA 1.029 55.009 54.000 -0.033 0.000 0.907 832 D CB -0.100 40.679 40.800 -0.036 0.000 0.899 832 D HN 0.682 nan 8.370 nan 0.000 0.527 833 A N -1.059 121.730 122.820 -0.051 0.000 2.552 833 A HA 0.572 4.893 4.320 0.000 0.000 0.308 833 A C -1.749 175.778 177.584 -0.095 0.000 1.114 833 A CA -0.791 51.203 52.037 -0.073 0.000 0.610 833 A CB 0.574 19.522 19.000 -0.085 0.000 1.402 833 A HN 0.056 nan 8.150 nan 0.000 0.563 834 V N -0.151 119.682 119.914 -0.135 0.000 2.628 834 V HA 0.762 4.882 4.120 0.000 0.000 0.306 834 V C -0.846 175.136 176.094 -0.188 0.000 1.045 834 V CA -0.454 61.744 62.300 -0.171 0.000 0.905 834 V CB 1.352 33.051 31.823 -0.206 0.000 0.997 834 V HN 0.948 nan 8.190 nan 0.000 0.436 835 L N 5.296 126.403 121.223 -0.192 0.000 2.372 835 L HA 0.636 4.976 4.340 0.000 0.000 0.274 835 L C -0.761 175.982 176.870 -0.212 0.000 0.988 835 L CA -0.056 54.685 54.840 -0.164 0.000 0.833 835 L CB 1.291 43.283 42.059 -0.112 0.000 1.236 835 L HN 0.522 nan 8.230 nan 0.000 0.410 836 I N 3.545 124.004 120.570 -0.186 0.000 2.392 836 I HA 0.422 4.592 4.170 0.000 0.000 0.295 836 I C -0.299 175.846 176.117 0.047 0.000 0.985 836 I CA -0.382 60.807 61.300 -0.184 0.000 1.221 836 I CB 1.652 39.374 38.000 -0.463 0.000 1.366 836 I HN 0.516 nan 8.210 nan 0.000 0.467 837 T N 4.325 118.887 114.554 0.015 0.000 2.840 837 T HA 0.527 4.877 4.350 0.000 0.000 0.287 837 T C 0.047 174.790 174.700 0.071 0.000 0.991 837 T CA -0.519 61.610 62.100 0.049 0.000 0.964 837 T CB 1.668 70.534 68.868 -0.004 0.000 0.954 837 T HN 0.789 nan 8.240 nan 0.000 0.438 838 T N -0.165 114.453 114.554 0.108 0.000 2.916 838 T HA 0.886 5.236 4.350 0.000 0.000 0.292 838 T C -0.938 173.761 174.700 -0.002 0.000 1.055 838 T CA -1.206 60.912 62.100 0.030 0.000 1.009 838 T CB 2.107 71.064 68.868 0.149 0.000 1.118 838 T HN 0.704 nan 8.240 nan 0.000 0.497 839 A N 1.627 124.350 122.820 -0.161 0.000 2.547 839 A HA 0.655 4.975 4.320 0.000 0.000 0.279 839 A C -1.186 176.259 177.584 -0.232 0.000 1.088 839 A CA -0.800 51.194 52.037 -0.072 0.000 0.796 839 A CB 0.286 19.273 19.000 -0.022 0.000 1.308 839 A HN 0.957 nan 8.150 nan 0.000 0.415 840 H N 0.649 119.723 119.070 0.008 0.000 2.651 840 H HA 0.867 5.423 4.556 0.000 0.000 0.353 840 H C 0.241 175.502 175.328 -0.111 0.000 1.178 840 H CA 0.118 56.071 56.048 -0.157 0.000 1.224 840 H CB 1.953 31.497 29.762 -0.364 0.000 1.702 840 H HN 0.952 nan 8.280 nan 0.000 0.550 841 A N 1.095 123.844 122.820 -0.118 0.000 2.398 841 A HA 0.366 4.686 4.320 0.000 0.000 0.301 841 A C -1.455 176.066 177.584 -0.104 0.000 1.041 841 A CA -0.761 51.287 52.037 0.018 0.000 0.711 841 A CB 1.153 20.180 19.000 0.045 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 1.716 123.103 121.300 0.146 0.000 2.365 842 W HA 0.492 5.152 4.660 0.000 0.000 0.316 842 W C -0.046 176.461 176.519 -0.021 0.000 1.164 842 W CA -0.046 57.359 57.345 0.100 0.000 1.204 842 W CB 1.568 31.127 29.460 0.165 0.000 1.213 842 W HN 0.757 nan 8.180 nan 0.000 0.539 843 Q N 1.065 120.985 119.800 0.200 0.000 2.553 843 Q HA 0.402 4.742 4.340 0.000 0.000 0.293 843 Q C -1.192 174.929 176.000 0.202 0.000 1.038 843 Q CA -0.956 54.921 55.803 0.123 0.000 0.777 843 Q CB 3.680 32.460 28.738 0.070 0.000 1.487 843 Q HN 0.465 nan 8.270 nan 0.000 0.426 844 H N 1.010 120.099 119.070 0.032 0.000 3.179 844 H HA 0.052 4.608 4.556 0.000 0.000 0.331 844 H C -1.014 174.338 175.328 0.040 0.000 1.013 844 H CA 0.013 56.091 56.048 0.050 0.000 1.430 844 H CB 1.012 30.812 29.762 0.062 0.000 1.895 844 H HN 0.839 nan 8.280 nan 0.000 0.468 845 Q N 3.296 122.905 119.800 -0.319 0.000 2.453 845 Q HA -0.256 4.084 4.340 0.000 0.000 0.294 845 Q C 0.935 176.873 176.000 -0.103 0.000 1.295 845 Q CA 1.205 56.847 55.803 -0.268 0.000 0.853 845 Q CB -1.494 27.006 28.738 -0.397 0.000 1.193 845 Q HN 1.168 nan 8.270 nan 0.000 0.461 846 G N -0.202 108.570 108.800 -0.047 0.000 2.234 846 G HA2 -0.344 3.616 3.960 0.000 0.000 0.235 846 G HA3 -0.344 3.616 3.960 0.000 0.000 0.235 846 G C 0.045 174.947 174.900 0.005 0.000 0.997 846 G CA 0.410 45.500 45.100 -0.016 0.000 0.623 846 G HN 0.363 nan 8.290 nan 0.000 0.514 847 K N 1.331 121.742 120.400 0.019 0.000 2.182 847 K HA 0.627 4.947 4.320 0.000 0.000 0.262 847 K C -0.313 176.298 176.600 0.018 0.000 0.957 847 K CA -0.183 56.119 56.287 0.025 0.000 0.842 847 K CB 1.034 33.557 32.500 0.038 0.000 1.099 847 K HN 0.008 nan 8.250 nan 0.000 0.438 848 T N 5.839 120.394 114.554 0.001 0.000 2.739 848 T HA 0.177 4.528 4.350 0.000 0.000 0.298 848 T C 1.263 175.903 174.700 -0.100 0.000 0.929 848 T CA -0.408 61.684 62.100 -0.014 0.000 1.014 848 T CB 0.239 69.118 68.868 0.019 0.000 0.914 848 T HN 0.530 nan 8.240 nan 0.000 0.509 849 L N 2.113 123.172 121.223 -0.273 0.000 2.034 849 L HA 0.214 4.554 4.340 0.000 0.000 0.203 849 L C 0.299 176.772 176.870 -0.661 0.000 1.074 849 L CA 1.089 55.527 54.840 -0.670 0.000 0.748 849 L CB -0.269 40.945 42.059 -1.409 0.000 0.905 849 L HN 0.472 nan 8.230 nan 0.000 0.439 850 F N -1.422 118.492 119.950 -0.060 0.000 2.661 850 F HA 0.681 5.208 4.527 0.000 0.000 0.347 850 F C -0.313 175.600 175.800 0.189 0.000 1.086 850 F CA -1.235 56.709 58.000 -0.093 0.000 1.016 850 F CB 1.272 39.901 39.000 -0.618 0.000 1.368 850 F HN -0.315 nan 8.300 nan 0.000 0.505 851 I N 0.958 121.793 120.570 0.443 0.000 2.637 851 I HA 0.151 4.321 4.170 0.000 0.000 0.285 851 I C -1.149 175.243 176.117 0.457 0.000 1.222 851 I CA -0.228 61.323 61.300 0.419 0.000 1.067 851 I CB 1.955 40.105 38.000 0.250 0.000 1.279 851 I HN 0.554 nan 8.210 nan 0.000 0.441 852 S N 6.496 122.575 115.700 0.632 0.000 2.429 852 S HA 0.568 5.038 4.470 0.000 0.000 0.302 852 S C -0.485 174.361 174.600 0.408 0.000 1.115 852 S CA -0.496 58.057 58.200 0.589 0.000 1.095 852 S CB 0.635 64.363 63.200 0.880 0.000 0.987 852 S HN 0.504 nan 8.310 nan 0.000 0.474 853 R N 3.802 124.468 120.500 0.278 0.000 2.409 853 R HA 0.443 4.784 4.340 0.000 0.000 0.313 853 R C -0.717 175.650 176.300 0.112 0.000 0.953 853 R CA -0.679 55.528 56.100 0.179 0.000 0.849 853 R CB 1.604 31.987 30.300 0.138 0.000 1.171 853 R HN 0.608 nan 8.270 nan 0.000 0.458 854 K N 0.682 121.127 120.400 0.076 0.000 2.400 854 K HA 0.559 4.879 4.320 0.000 0.000 0.246 854 K C -0.661 175.874 176.600 -0.108 0.000 0.995 854 K CA -0.991 55.252 56.287 -0.073 0.000 0.840 854 K CB 2.302 34.685 32.500 -0.196 0.000 1.293 854 K HN 0.493 nan 8.250 nan 0.000 0.445 855 T N -1.175 113.236 114.554 -0.238 0.000 2.928 855 T HA 0.459 4.810 4.350 0.000 0.000 0.296 855 T C -1.365 173.192 174.700 -0.239 0.000 1.000 855 T CA -0.696 61.316 62.100 -0.146 0.000 0.989 855 T CB 0.271 69.098 68.868 -0.067 0.000 1.005 855 T HN 0.464 nan 8.240 nan 0.000 0.442 856 Y N 1.827 122.133 120.300 0.010 0.000 2.377 856 Y HA 0.721 5.271 4.550 0.000 0.000 0.339 856 Y C 0.694 176.541 175.900 -0.087 0.000 1.011 856 Y CA -1.095 57.016 58.100 0.019 0.000 1.093 856 Y CB 1.963 40.493 38.460 0.116 0.000 1.201 856 Y HN 0.815 nan 8.280 nan 0.000 0.455 857 R N 4.543 125.079 120.500 0.059 0.000 2.713 857 R HA 0.461 4.802 4.340 0.000 0.000 0.282 857 R C -2.056 174.172 176.300 -0.120 0.000 1.472 857 R CA -0.322 55.746 56.100 -0.053 0.000 1.060 857 R CB 0.295 30.569 30.300 -0.044 0.000 1.237 857 R HN 0.790 nan 8.270 nan 0.000 0.484 858 I N 4.707 125.130 120.570 -0.245 0.000 2.322 858 I HA 0.192 4.362 4.170 0.000 0.000 0.292 858 I C 0.120 176.079 176.117 -0.263 0.000 1.060 858 I CA -0.627 60.423 61.300 -0.416 0.000 1.309 858 I CB 0.507 38.041 38.000 -0.777 0.000 1.415 858 I HN 0.622 nan 8.210 nan 0.000 0.492 859 D N 4.892 125.180 120.400 -0.186 0.000 2.487 859 D HA 0.206 4.846 4.640 0.000 0.000 0.262 859 D C 1.008 177.269 176.300 -0.066 0.000 1.130 859 D CA -0.820 53.120 54.000 -0.101 0.000 1.038 859 D CB 1.532 42.296 40.800 -0.059 0.000 1.142 859 D HN 0.517 nan 8.370 nan 0.000 0.575 860 G N -1.377 107.406 108.800 -0.029 0.000 3.026 860 G HA2 -0.019 3.941 3.960 0.000 0.000 0.208 860 G HA3 -0.019 3.941 3.960 0.000 0.000 0.208 860 G C 0.983 175.900 174.900 0.028 0.000 1.169 860 G CA 0.556 45.662 45.100 0.010 0.000 0.788 860 G HN 0.495 nan 8.290 nan 0.000 0.533 861 S N -1.184 114.526 115.700 0.016 0.000 2.548 861 S HA 0.364 4.834 4.470 0.000 0.000 0.215 861 S C 1.755 176.391 174.600 0.060 0.000 0.976 861 S CA 0.862 59.081 58.200 0.033 0.000 0.908 861 S CB 0.122 63.335 63.200 0.021 0.000 0.781 861 S HN 1.316 nan 8.310 nan 0.000 0.519 862 G N 0.726 109.569 108.800 0.072 0.000 2.137 862 G HA2 -0.234 3.726 3.960 0.000 0.000 0.237 862 G HA3 -0.234 3.726 3.960 0.000 0.000 0.237 862 G C -0.289 174.683 174.900 0.120 0.000 1.002 862 G CA 0.072 45.266 45.100 0.157 0.000 0.702 862 G HN 0.609 nan 8.290 nan 0.000 0.515 863 Q N -0.482 119.333 119.800 0.025 0.000 2.271 863 Q HA 0.636 4.976 4.340 0.000 0.000 0.258 863 Q C 0.258 176.235 176.000 -0.038 0.000 0.936 863 Q CA -0.502 55.317 55.803 0.028 0.000 0.909 863 Q CB 1.595 30.360 28.738 0.044 0.000 1.253 863 Q HN 0.434 nan 8.270 nan 0.000 0.440 864 M N 2.427 122.032 119.600 0.009 0.000 2.066 864 M HA 0.543 5.023 4.480 0.000 0.000 0.340 864 M C -1.380 174.995 176.300 0.125 0.000 1.053 864 M CA -0.511 54.785 55.300 -0.007 0.000 0.983 864 M CB 0.843 33.386 32.600 -0.096 0.000 1.520 864 M HN 0.695 nan 8.290 nan 0.000 0.428 865 A N 7.301 130.169 122.820 0.081 0.000 2.260 865 A HA 0.652 4.973 4.320 0.000 0.000 0.308 865 A C -0.548 177.082 177.584 0.076 0.000 1.254 865 A CA -0.707 51.384 52.037 0.089 0.000 0.874 865 A CB 0.317 19.346 19.000 0.048 0.000 1.153 865 A HN 0.881 nan 8.150 nan 0.000 0.527 866 I N 1.498 122.103 120.570 0.059 0.000 2.525 866 I HA 0.508 4.678 4.170 0.000 0.000 0.301 866 I C -0.036 175.983 176.117 -0.165 0.000 0.992 866 I CA -0.217 61.040 61.300 -0.071 0.000 1.162 866 I CB 1.950 39.945 38.000 -0.007 0.000 1.332 866 I HN 0.506 nan 8.210 nan 0.000 0.458 867 T N 4.381 118.769 114.554 -0.277 0.000 3.143 867 T HA 0.425 4.775 4.350 0.000 0.000 0.312 867 T C -0.623 173.861 174.700 -0.360 0.000 0.986 867 T CA -0.355 61.570 62.100 -0.292 0.000 1.024 867 T CB 1.668 70.447 68.868 -0.147 0.000 1.030 867 T HN 0.281 nan 8.240 nan 0.000 0.448 868 V N 3.196 122.779 119.914 -0.553 0.000 2.513 868 V HA 0.685 4.805 4.120 0.000 0.000 0.299 868 V C -0.510 175.466 176.094 -0.196 0.000 1.035 868 V CA -0.858 61.177 62.300 -0.443 0.000 0.889 868 V CB 1.984 33.259 31.823 -0.913 0.000 0.988 868 V HN 0.788 nan 8.190 nan 0.000 0.440 869 D N 2.617 123.057 120.400 0.066 0.000 2.736 869 D HA 0.524 5.164 4.640 0.000 0.000 0.243 869 D C -1.198 175.264 176.300 0.270 0.000 1.304 869 D CA -0.089 54.038 54.000 0.212 0.000 0.934 869 D CB 2.723 43.657 40.800 0.223 0.000 1.382 869 D HN 0.323 nan 8.370 nan 0.000 0.571 870 V N 1.950 122.057 119.914 0.321 0.000 2.628 870 V HA 0.393 4.513 4.120 0.000 0.000 0.306 870 V C -0.068 176.171 176.094 0.242 0.000 1.045 870 V CA -0.685 61.799 62.300 0.306 0.000 0.905 870 V CB 2.552 34.575 31.823 0.333 0.000 0.997 870 V HN 0.370 nan 8.190 nan 0.000 0.436 871 E N 2.176 122.508 120.200 0.219 0.000 2.191 871 E HA 0.618 4.968 4.350 0.000 0.000 0.263 871 E C -1.622 175.099 176.600 0.203 0.000 0.881 871 E CA -0.473 56.034 56.400 0.178 0.000 0.757 871 E CB 2.403 32.194 29.700 0.152 0.000 1.147 871 E HN 0.468 nan 8.360 nan 0.000 0.414 872 V N 2.205 122.243 119.914 0.207 0.000 2.409 872 V HA 0.456 4.576 4.120 0.000 0.000 0.291 872 V C 0.248 176.453 176.094 0.186 0.000 1.020 872 V CA -1.060 61.400 62.300 0.266 0.000 0.848 872 V CB 1.421 33.428 31.823 0.307 0.000 0.990 872 V HN 0.830 nan 8.190 nan 0.000 0.430 873 A N 3.338 126.229 122.820 0.117 0.000 2.565 873 A HA 0.264 4.584 4.320 0.000 0.000 0.237 873 A C 1.659 179.319 177.584 0.127 0.000 1.053 873 A CA 0.694 52.783 52.037 0.087 0.000 0.755 873 A CB 0.269 19.290 19.000 0.036 0.000 0.980 873 A HN 1.399 nan 8.150 nan 0.000 0.506 874 S N 1.033 116.800 115.700 0.113 0.000 2.423 874 S HA -0.124 4.346 4.470 0.000 0.000 0.231 874 S C 0.841 175.509 174.600 0.114 0.000 1.014 874 S CA 1.256 59.535 58.200 0.132 0.000 0.965 874 S CB -0.277 62.982 63.200 0.098 0.000 0.785 874 S HN 0.799 nan 8.310 nan 0.000 0.495 875 D N 0.424 120.871 120.400 0.079 0.000 2.370 875 D HA 0.170 4.811 4.640 0.000 0.000 0.230 875 D C 0.003 176.333 176.300 0.051 0.000 1.143 875 D CA -0.030 54.002 54.000 0.054 0.000 0.834 875 D CB -0.162 40.662 40.800 0.039 0.000 0.944 875 D HN 0.201 nan 8.370 nan 0.000 0.504 876 T N 1.306 115.910 114.554 0.082 0.000 2.863 876 T HA 0.418 4.768 4.350 0.000 0.000 0.285 876 T C -2.759 172.005 174.700 0.106 0.000 1.009 876 T CA -1.827 60.350 62.100 0.128 0.000 0.989 876 T CB 1.906 70.895 68.868 0.201 0.000 1.004 876 T HN -0.180 nan 8.240 nan 0.000 0.455 877 P HA 0.043 nan 4.420 nan 0.000 0.260 877 P C -0.272 177.227 177.300 0.332 0.000 1.185 877 P CA -0.079 63.053 63.100 0.053 0.000 0.763 877 P CB -0.004 31.753 31.700 0.095 0.000 0.776 878 H N 4.403 123.796 119.070 0.539 0.000 3.167 878 H HA -0.011 4.545 4.556 0.000 0.000 0.306 878 H C -1.916 173.703 175.328 0.485 0.000 0.965 878 H CA -1.057 55.250 56.048 0.431 0.000 1.408 878 H CB -0.820 29.149 29.762 0.346 0.000 1.406 878 H HN 0.365 nan 8.280 nan 0.000 0.576 879 P HA 0.118 nan 4.420 nan 0.000 0.276 879 P C 0.418 177.576 177.300 -0.236 0.000 1.252 879 P CA -0.408 62.711 63.100 0.031 0.000 0.802 879 P CB 0.830 32.431 31.700 -0.166 0.000 1.035 880 A N 2.162 124.580 122.820 -0.670 0.000 1.969 880 A HA -0.075 4.245 4.320 0.000 0.000 0.218 880 A C 1.040 178.223 177.584 -0.668 0.000 1.169 880 A CA 1.437 53.070 52.037 -0.674 0.000 0.635 880 A CB -0.572 17.876 19.000 -0.920 0.000 0.810 880 A HN 0.749 nan 8.150 nan 0.000 0.445 881 R N -2.807 117.353 120.500 -0.567 0.000 2.709 881 R HA 0.643 4.983 4.340 0.000 0.000 0.270 881 R C -2.037 174.047 176.300 -0.359 0.000 1.038 881 R CA -0.740 55.059 56.100 -0.502 0.000 0.872 881 R CB 0.390 30.359 30.300 -0.552 0.000 1.259 881 R HN -0.004 nan 8.270 nan 0.000 0.473 882 I N 1.926 122.320 120.570 -0.292 0.000 2.466 882 I HA 0.689 4.860 4.170 0.000 0.000 0.279 882 I C -0.158 175.739 176.117 -0.366 0.000 1.033 882 I CA -0.110 61.057 61.300 -0.222 0.000 1.123 882 I CB 1.833 39.734 38.000 -0.166 0.000 1.237 882 I HN 0.971 nan 8.210 nan 0.000 0.460 883 G N 5.651 114.208 108.800 -0.405 0.000 2.570 883 G HA2 0.673 4.633 3.960 0.000 0.000 0.310 883 G HA3 0.673 4.633 3.960 0.000 0.000 0.310 883 G C -1.775 172.971 174.900 -0.257 0.000 1.266 883 G CA -0.631 44.262 45.100 -0.346 0.000 0.825 883 G HN 0.253 nan 8.290 nan 0.000 0.483 884 L N 1.052 122.173 121.223 -0.170 0.000 2.354 884 L HA 0.653 4.993 4.340 0.000 0.000 0.264 884 L C -0.720 176.039 176.870 -0.185 0.000 1.008 884 L CA -1.133 53.611 54.840 -0.160 0.000 0.819 884 L CB 2.433 44.465 42.059 -0.045 0.000 1.339 884 L HN 0.798 nan 8.230 nan 0.000 0.420 885 N N 1.001 119.608 118.700 -0.155 0.000 2.416 885 N HA 0.693 5.433 4.740 0.000 0.000 0.276 885 N C -1.349 174.132 175.510 -0.049 0.000 1.261 885 N CA -0.531 52.466 53.050 -0.088 0.000 0.790 885 N CB 2.508 40.976 38.487 -0.032 0.000 1.554 885 N HN 0.837 nan 8.380 nan 0.000 0.481 886 C N -0.484 118.798 119.300 -0.029 0.000 3.283 886 C HA 0.519 4.979 4.460 0.000 0.000 0.359 886 C C -1.017 173.759 174.990 -0.356 0.000 1.160 886 C CA -0.825 58.111 59.018 -0.135 0.000 1.232 886 C CB 0.913 28.590 27.740 -0.104 0.000 1.571 886 C HN 0.862 nan 8.230 nan 0.000 0.522 887 Q N 2.272 121.647 119.800 -0.708 0.000 2.331 887 Q HA 0.612 4.952 4.340 0.000 0.000 0.257 887 Q C -0.777 174.915 176.000 -0.512 0.000 0.957 887 Q CA -0.461 54.716 55.803 -1.042 0.000 0.923 887 Q CB 0.845 28.607 28.738 -1.628 0.000 1.212 887 Q HN 0.820 nan 8.270 nan 0.000 0.443 888 L N 2.494 123.515 121.223 -0.337 0.000 2.436 888 L HA 0.275 4.616 4.340 0.000 0.000 0.265 888 L C 0.925 177.698 176.870 -0.161 0.000 1.168 888 L CA -0.093 54.653 54.840 -0.155 0.000 0.815 888 L CB 0.952 43.012 42.059 0.001 0.000 1.109 888 L HN 0.848 nan 8.230 nan 0.000 0.462 889 A N 1.750 124.502 122.820 -0.112 0.000 2.081 889 A HA -0.011 4.310 4.320 0.000 0.000 0.214 889 A C 0.930 178.461 177.584 -0.089 0.000 1.158 889 A CA 0.239 52.207 52.037 -0.115 0.000 0.724 889 A CB -0.041 18.886 19.000 -0.122 0.000 0.826 889 A HN 0.782 nan 8.150 nan 0.000 0.463 890 Q N -0.464 119.291 119.800 -0.074 0.000 2.368 890 Q HA 0.458 4.798 4.340 0.000 0.000 0.237 890 Q C -1.162 174.760 176.000 -0.129 0.000 0.987 890 Q CA 0.112 55.843 55.803 -0.120 0.000 0.896 890 Q CB 1.060 29.698 28.738 -0.167 0.000 1.241 890 Q HN 0.092 nan 8.270 nan 0.000 0.485 891 V N 3.193 123.020 119.914 -0.144 0.000 2.454 891 V HA 0.530 4.650 4.120 0.000 0.000 0.267 891 V C -0.395 175.641 176.094 -0.097 0.000 0.993 891 V CA -0.311 61.957 62.300 -0.053 0.000 0.836 891 V CB 0.594 32.411 31.823 -0.009 0.000 1.055 891 V HN 0.915 nan 8.190 nan 0.000 0.452 892 A N 2.560 125.208 122.820 -0.286 0.000 2.280 892 A HA 0.610 4.930 4.320 0.000 0.000 0.268 892 A C 1.102 178.798 177.584 0.187 0.000 1.111 892 A CA 0.024 52.009 52.037 -0.086 0.000 0.814 892 A CB 0.539 19.432 19.000 -0.179 0.000 1.093 892 A HN 0.613 nan 8.150 nan 0.000 0.498 893 E N -0.086 120.196 120.200 0.137 0.000 2.075 893 E HA 0.048 4.398 4.350 0.000 0.000 0.190 893 E C 0.618 177.318 176.600 0.167 0.000 0.969 893 E CA 0.995 57.471 56.400 0.128 0.000 0.815 893 E CB 0.065 29.809 29.700 0.074 0.000 0.776 893 E HN 0.605 nan 8.360 nan 0.000 0.457 894 R N -0.506 120.110 120.500 0.192 0.000 2.856 894 R HA 0.632 4.972 4.340 0.000 0.000 0.258 894 R C -0.718 175.743 176.300 0.268 0.000 1.066 894 R CA -0.887 55.332 56.100 0.197 0.000 1.045 894 R CB 1.882 32.275 30.300 0.154 0.000 1.178 894 R HN -0.204 nan 8.270 nan 0.000 0.499 895 V N 1.540 121.600 119.914 0.243 0.000 2.577 895 V HA 0.299 4.419 4.120 0.000 0.000 0.303 895 V C -0.676 175.653 176.094 0.393 0.000 1.042 895 V CA -0.942 61.516 62.300 0.263 0.000 0.872 895 V CB 1.802 33.724 31.823 0.165 0.000 0.998 895 V HN 0.722 nan 8.190 nan 0.000 0.423 896 N N 4.194 123.110 118.700 0.360 0.000 2.296 896 N HA 0.565 5.305 4.740 0.000 0.000 0.294 896 N C -1.324 174.426 175.510 0.399 0.000 1.033 896 N CA -0.441 52.796 53.050 0.312 0.000 0.839 896 N CB 2.916 41.483 38.487 0.133 0.000 1.395 896 N HN 0.802 nan 8.380 nan 0.000 0.479 897 W N 2.875 124.201 121.300 0.044 0.000 3.042 897 W HA 0.641 5.301 4.660 0.000 0.000 0.342 897 W C -2.127 174.353 176.519 -0.065 0.000 1.240 897 W CA -1.050 56.307 57.345 0.021 0.000 1.166 897 W CB 0.747 30.258 29.460 0.085 0.000 1.469 897 W HN 0.227 nan 8.180 nan 0.000 0.579 898 L N 3.502 124.737 121.223 0.020 0.000 2.318 898 L HA 0.892 5.232 4.340 0.000 0.000 0.277 898 L C 0.075 176.848 176.870 -0.162 0.000 1.008 898 L CA 0.434 55.127 54.840 -0.245 0.000 0.846 898 L CB 0.763 42.756 42.059 -0.110 0.000 1.220 898 L HN 1.060 nan 8.230 nan 0.000 0.423 899 G N 3.389 111.925 108.800 -0.439 0.000 2.333 899 G HA2 0.147 4.107 3.960 0.000 0.000 0.288 899 G HA3 0.147 4.107 3.960 0.000 0.000 0.288 899 G C -1.566 173.367 174.900 0.055 0.000 1.286 899 G CA -1.103 43.876 45.100 -0.201 0.000 0.865 899 G HN 0.418 nan 8.290 nan 0.000 0.506 900 L N 1.120 122.442 121.223 0.166 0.000 2.455 900 L HA 0.529 4.869 4.340 0.000 0.000 0.272 900 L C 1.188 178.071 176.870 0.021 0.000 1.174 900 L CA 1.143 56.039 54.840 0.092 0.000 0.869 900 L CB 0.215 42.291 42.059 0.029 0.000 1.130 900 L HN 1.384 nan 8.230 nan 0.000 0.474 901 G N 2.931 111.519 108.800 -0.353 0.000 2.323 901 G HA2 0.181 4.141 3.960 0.000 0.000 0.291 901 G HA3 0.181 4.141 3.960 0.000 0.000 0.291 901 G C -2.749 171.223 174.900 -1.547 0.000 1.278 901 G CA -0.345 44.276 45.100 -0.798 0.000 0.860 901 G HN 0.284 nan 8.290 nan 0.000 0.504 902 P HA -0.010 nan 4.420 nan 0.000 0.217 902 P C 0.755 177.870 177.300 -0.308 0.000 1.151 902 P CA 0.886 63.468 63.100 -0.865 0.000 0.828 902 P CB 0.174 31.537 31.700 -0.561 0.000 0.788 903 Q N 0.462 120.063 119.800 -0.331 0.000 2.417 903 Q HA 0.045 4.385 4.340 0.000 0.000 0.241 903 Q C 0.538 176.417 176.000 -0.202 0.000 1.008 903 Q CA -0.215 55.463 55.803 -0.208 0.000 0.901 903 Q CB 0.384 29.021 28.738 -0.168 0.000 1.259 903 Q HN 0.204 nan 8.270 nan 0.000 0.489 904 E N 2.055 122.151 120.200 -0.173 0.000 2.558 904 E HA -0.126 4.224 4.350 0.000 0.000 0.255 904 E C -1.142 175.397 176.600 -0.102 0.000 0.968 904 E CA 0.209 56.508 56.400 -0.168 0.000 0.939 904 E CB 0.180 29.845 29.700 -0.059 0.000 0.921 904 E HN 0.556 nan 8.360 nan 0.000 0.477 905 N N 3.087 121.671 118.700 -0.193 0.000 2.235 905 N HA 0.322 5.062 4.740 0.000 0.000 0.293 905 N C -1.812 173.548 175.510 -0.250 0.000 1.083 905 N CA -0.690 52.299 53.050 -0.102 0.000 0.801 905 N CB 0.819 39.228 38.487 -0.131 0.000 1.559 905 N HN 0.220 nan 8.380 nan 0.000 0.472 906 Y N 0.063 120.254 120.300 -0.182 0.000 2.621 906 Y HA 0.509 5.059 4.550 0.000 0.000 0.334 906 Y C -1.582 174.227 175.900 -0.151 0.000 1.074 906 Y CA -2.193 55.793 58.100 -0.190 0.000 1.149 906 Y CB 1.334 39.676 38.460 -0.195 0.000 1.302 906 Y HN 0.449 nan 8.280 nan 0.000 0.501 907 P HA -0.150 nan 4.420 nan 0.000 0.215 907 P C 0.449 177.602 177.300 -0.246 0.000 1.153 907 P CA 2.018 65.109 63.100 -0.017 0.000 0.853 907 P CB 0.190 31.964 31.700 0.125 0.000 0.788 908 D N -1.659 118.427 120.400 -0.524 0.000 2.325 908 D HA -0.018 4.622 4.640 0.000 0.000 0.225 908 D C 0.613 176.757 176.300 -0.260 0.000 1.096 908 D CA 0.068 53.587 54.000 -0.802 0.000 0.844 908 D CB -0.302 39.732 40.800 -1.276 0.000 0.925 908 D HN 0.144 nan 8.370 nan 0.000 0.513 909 R N 1.010 121.448 120.500 -0.104 0.000 2.684 909 R HA 0.154 4.494 4.340 0.000 0.000 0.252 909 R C -0.543 175.771 176.300 0.024 0.000 1.628 909 R CA -0.181 55.916 56.100 -0.006 0.000 1.622 909 R CB 0.083 30.378 30.300 -0.008 0.000 1.418 909 R HN 0.075 nan 8.270 nan 0.000 0.697 910 L N -1.524 119.722 121.223 0.039 0.000 3.327 910 L HA 0.290 4.630 4.340 0.000 0.000 0.299 910 L C 1.591 178.500 176.870 0.066 0.000 1.201 910 L CA 0.524 55.385 54.840 0.035 0.000 1.059 910 L CB -0.498 41.571 42.059 0.016 0.000 1.488 910 L HN 0.156 nan 8.230 nan 0.000 0.609 911 T N -1.670 112.948 114.554 0.107 0.000 2.822 911 T HA -0.165 4.185 4.350 0.000 0.000 0.270 911 T C 1.766 176.505 174.700 0.064 0.000 1.064 911 T CA 1.800 63.984 62.100 0.141 0.000 1.131 911 T CB -0.412 68.587 68.868 0.218 0.000 0.858 911 T HN 0.447 nan 8.240 nan 0.000 0.483 912 A N 1.629 124.498 122.820 0.081 0.000 1.970 912 A HA 0.635 4.955 4.320 0.000 0.000 0.216 912 A C 1.701 179.338 177.584 0.088 0.000 1.170 912 A CA 0.614 52.692 52.037 0.069 0.000 0.645 912 A CB -0.970 18.145 19.000 0.193 0.000 0.816 912 A HN 0.902 nan 8.150 nan 0.000 0.447 913 A N -0.920 121.902 122.820 0.003 0.000 2.462 913 A HA 0.414 4.734 4.320 0.000 0.000 0.243 913 A C 0.033 177.603 177.584 -0.023 0.000 1.076 913 A CA -0.036 51.956 52.037 -0.076 0.000 0.773 913 A CB -0.245 18.702 19.000 -0.087 0.000 1.010 913 A HN 0.478 nan 8.150 nan 0.000 0.493 914 C N 1.453 120.716 119.300 -0.062 0.000 2.411 914 C HA 0.495 4.956 4.460 0.000 0.000 0.330 914 C C 0.033 175.094 174.990 0.118 0.000 1.224 914 C CA -0.398 58.646 59.018 0.044 0.000 1.770 914 C CB 0.364 28.139 27.740 0.059 0.000 2.297 914 C HN 0.777 nan 8.230 nan 0.000 0.507 915 F N 4.458 124.281 119.950 -0.213 0.000 2.438 915 F HA 0.418 4.945 4.527 0.000 0.000 0.360 915 F C 0.325 175.872 175.800 -0.422 0.000 1.118 915 F CA 1.021 58.777 58.000 -0.406 0.000 1.164 915 F CB -0.222 38.048 39.000 -1.216 0.000 1.131 915 F HN 0.623 nan 8.300 nan 0.000 0.527 916 D N 3.580 123.467 120.400 -0.856 0.000 3.103 916 D HA 0.244 4.885 4.640 0.000 0.000 0.337 916 D C -1.460 173.993 176.300 -1.411 0.000 1.356 916 D CA -0.719 52.630 54.000 -1.084 0.000 0.951 916 D CB 1.605 41.663 40.800 -1.236 0.000 1.438 916 D HN 0.517 nan 8.370 nan 0.000 0.562 917 R N 0.703 120.374 120.500 -1.381 0.000 2.246 917 R HA 0.478 4.818 4.340 0.000 0.000 0.332 917 R C -1.285 174.170 176.300 -1.409 0.000 0.974 917 R CA -0.511 54.911 56.100 -1.130 0.000 0.837 917 R CB 0.361 30.287 30.300 -0.623 0.000 1.145 917 R HN 0.241 nan 8.270 nan 0.000 0.467 918 W N 2.392 123.044 121.300 -1.081 0.000 2.578 918 W HA 0.409 5.069 4.660 0.000 0.000 0.346 918 W C -0.546 175.483 176.519 -0.817 0.000 1.075 918 W CA -0.574 56.059 57.345 -1.187 0.000 1.233 918 W CB 1.556 29.780 29.460 -2.060 0.000 1.358 918 W HN 0.526 nan 8.180 nan 0.000 0.574 919 D N 1.855 122.147 120.400 -0.180 0.000 2.763 919 D HA 0.584 5.224 4.640 0.000 0.000 0.235 919 D C -1.435 174.962 176.300 0.162 0.000 1.334 919 D CA -0.198 53.834 54.000 0.054 0.000 0.950 919 D CB 0.711 41.509 40.800 -0.004 0.000 1.433 919 D HN 0.328 nan 8.370 nan 0.000 0.580 920 L N 2.880 124.274 121.223 0.284 0.000 2.479 920 L HA 0.648 4.988 4.340 0.000 0.000 0.255 920 L C -2.419 174.563 176.870 0.186 0.000 1.026 920 L CA -2.453 52.517 54.840 0.217 0.000 0.842 920 L CB 2.141 44.344 42.059 0.242 0.000 1.444 920 L HN 0.196 nan 8.230 nan 0.000 0.409 921 P HA 0.009 nan 4.420 nan 0.000 0.264 921 P C 0.662 178.025 177.300 0.105 0.000 1.193 921 P CA -0.165 63.000 63.100 0.108 0.000 0.763 921 P CB 0.598 32.345 31.700 0.079 0.000 0.810 922 L N 4.046 125.332 121.223 0.105 0.000 2.113 922 L HA -0.322 4.019 4.340 0.000 0.000 0.221 922 L C 2.331 179.235 176.870 0.057 0.000 1.084 922 L CA 2.268 57.147 54.840 0.065 0.000 0.787 922 L CB -1.405 40.704 42.059 0.084 0.000 0.893 922 L HN 0.327 nan 8.230 nan 0.000 0.440 923 S N -0.767 114.973 115.700 0.068 0.000 2.372 923 S HA -0.228 4.242 4.470 0.000 0.000 0.227 923 S C 1.382 176.036 174.600 0.091 0.000 1.044 923 S CA 1.683 59.928 58.200 0.076 0.000 1.050 923 S CB -0.460 62.777 63.200 0.062 0.000 0.901 923 S HN 0.633 nan 8.310 nan 0.000 0.447 924 D N 0.732 121.172 120.400 0.067 0.000 2.371 924 D HA 0.021 4.661 4.640 0.000 0.000 0.234 924 D C 0.828 177.136 176.300 0.013 0.000 1.049 924 D CA 0.438 54.462 54.000 0.040 0.000 0.907 924 D CB -0.067 40.758 40.800 0.042 0.000 0.891 924 D HN 0.445 nan 8.370 nan 0.000 0.531 925 M N -0.327 119.290 119.600 0.029 0.000 2.475 925 M HA 0.112 4.592 4.480 0.000 0.000 0.261 925 M C -0.216 176.099 176.300 0.025 0.000 1.177 925 M CA -0.241 55.035 55.300 -0.039 0.000 0.979 925 M CB -0.388 32.164 32.600 -0.079 0.000 1.482 925 M HN -0.068 nan 8.290 nan 0.000 0.484 926 Y N 0.109 120.360 120.300 -0.081 0.000 2.425 926 Y HA 0.501 5.051 4.550 0.000 0.000 0.344 926 Y C -0.871 174.944 175.900 -0.142 0.000 0.969 926 Y CA -0.636 57.418 58.100 -0.076 0.000 1.052 926 Y CB 1.540 40.003 38.460 0.005 0.000 1.215 926 Y HN -0.105 nan 8.280 nan 0.000 0.451 927 T N 8.976 123.055 114.554 -0.791 0.000 2.770 927 T HA 0.267 4.617 4.350 0.000 0.000 0.297 927 T C -2.471 171.425 174.700 -1.339 0.000 0.997 927 T CA -1.458 60.073 62.100 -0.948 0.000 0.949 927 T CB 1.096 69.476 68.868 -0.814 0.000 0.941 927 T HN 0.477 nan 8.240 nan 0.000 0.457 928 P HA 0.065 nan 4.420 nan 0.000 0.254 928 P C -0.466 176.636 177.300 -0.329 0.000 1.631 928 P CA -0.456 62.159 63.100 -0.809 0.000 0.861 928 P CB -0.688 30.704 31.700 -0.513 0.000 1.663 929 Y N -0.079 120.105 120.300 -0.192 0.000 2.916 929 Y HA -0.131 4.419 4.550 0.000 0.000 0.344 929 Y C 2.270 178.181 175.900 0.018 0.000 1.282 929 Y CA 0.131 58.200 58.100 -0.053 0.000 1.604 929 Y CB -0.370 37.998 38.460 -0.154 0.000 1.207 929 Y HN -0.154 nan 8.280 nan 0.000 0.561 930 V N 3.914 124.004 119.914 0.294 0.000 2.363 930 V HA -0.320 3.800 4.120 0.000 0.000 0.254 930 V C 0.697 176.923 176.094 0.220 0.000 1.074 930 V CA 1.693 64.145 62.300 0.253 0.000 1.069 930 V CB -0.701 31.305 31.823 0.306 0.000 0.659 930 V HN 0.609 nan 8.190 nan 0.000 0.455 931 F N 3.141 123.109 119.950 0.031 0.000 2.361 931 F HA 0.558 5.085 4.527 0.000 0.000 0.364 931 F C -2.487 173.279 175.800 -0.055 0.000 1.120 931 F CA -3.737 54.228 58.000 -0.058 0.000 1.102 931 F CB 0.867 39.732 39.000 -0.226 0.000 1.183 931 F HN -0.041 nan 8.300 nan 0.000 0.476 932 P HA 0.275 nan 4.420 nan 0.000 0.268 932 P C -0.971 176.020 177.300 -0.515 0.000 1.205 932 P CA 0.140 62.965 63.100 -0.458 0.000 0.771 932 P CB 1.254 32.729 31.700 -0.374 0.000 0.858 933 S N 0.030 115.594 115.700 -0.228 0.000 2.669 933 S HA 0.356 4.826 4.470 0.000 0.000 0.266 933 S C -0.874 173.678 174.600 -0.080 0.000 1.149 933 S CA -1.006 57.107 58.200 -0.144 0.000 0.842 933 S CB 0.318 63.466 63.200 -0.086 0.000 1.160 933 S HN 0.389 nan 8.310 nan 0.000 0.487 934 E N 1.032 121.201 120.200 -0.051 0.000 2.437 934 E HA 0.434 4.784 4.350 0.000 0.000 0.263 934 E C 0.066 176.667 176.600 0.001 0.000 1.030 934 E CA 0.883 57.275 56.400 -0.014 0.000 0.934 934 E CB 0.025 29.745 29.700 0.032 0.000 0.943 934 E HN 0.834 nan 8.360 nan 0.000 0.444 935 N N 0.617 119.356 118.700 0.064 0.000 3.441 935 N HA 0.389 5.129 4.740 0.000 0.000 0.313 935 N C 0.484 176.030 175.510 0.061 0.000 1.526 935 N CA -0.677 52.450 53.050 0.129 0.000 0.871 935 N CB 0.072 38.632 38.487 0.120 0.000 1.779 935 N HN 0.662 nan 8.380 nan 0.000 0.529 936 G N -0.798 108.005 108.800 0.005 0.000 2.284 936 G HA2 -0.343 3.617 3.960 0.000 0.000 0.268 936 G HA3 -0.343 3.617 3.960 0.000 0.000 0.268 936 G C 0.123 174.792 174.900 -0.385 0.000 0.980 936 G CA 0.860 45.862 45.100 -0.163 0.000 0.631 936 G HN 0.719 nan 8.290 nan 0.000 0.548 937 L N 0.840 121.780 121.223 -0.473 0.000 2.558 937 L HA 0.265 4.605 4.340 0.000 0.000 0.301 937 L C 0.856 177.171 176.870 -0.924 0.000 1.267 937 L CA 0.866 55.175 54.840 -0.885 0.000 0.854 937 L CB 0.338 41.552 42.059 -1.409 0.000 1.103 937 L HN 0.439 nan 8.230 nan 0.000 0.522 938 R N 3.784 123.648 120.500 -1.061 0.000 2.510 938 R HA 0.414 4.755 4.340 0.000 0.000 0.294 938 R C -1.186 174.745 176.300 -0.615 0.000 1.056 938 R CA -0.765 54.818 56.100 -0.862 0.000 0.918 938 R CB 0.456 30.231 30.300 -0.875 0.000 1.187 938 R HN 0.548 nan 8.270 nan 0.000 0.437 939 C N 0.081 119.151 119.300 -0.384 0.000 2.352 939 C HA 0.692 5.152 4.460 0.000 0.000 0.387 939 C C 1.543 176.475 174.990 -0.095 0.000 1.294 939 C CA 0.406 59.282 59.018 -0.236 0.000 2.137 939 C CB 0.800 28.431 27.740 -0.181 0.000 2.146 939 C HN 1.081 nan 8.230 nan 0.000 0.559 940 G N 1.786 110.555 108.800 -0.052 0.000 2.366 940 G HA2 -0.174 3.786 3.960 0.000 0.000 0.299 940 G HA3 -0.174 3.786 3.960 0.000 0.000 0.299 940 G C -0.107 174.817 174.900 0.041 0.000 1.020 940 G CA 0.498 45.622 45.100 0.040 0.000 1.026 940 G HN 0.863 nan 8.290 nan 0.000 0.512 941 T N -0.383 114.067 114.554 -0.173 0.000 2.845 941 T HA 0.523 4.873 4.350 0.000 0.000 0.288 941 T C 1.427 175.812 174.700 -0.526 0.000 0.980 941 T CA -0.505 61.422 62.100 -0.288 0.000 1.071 941 T CB 2.085 70.801 68.868 -0.253 0.000 0.941 941 T HN 0.312 nan 8.240 nan 0.000 0.487 942 R N 0.935 121.335 120.500 -0.167 0.000 2.167 942 R HA 0.215 4.555 4.340 0.000 0.000 0.201 942 R C 0.624 176.956 176.300 0.054 0.000 1.024 942 R CA 0.375 56.453 56.100 -0.037 0.000 1.053 942 R CB 0.576 30.983 30.300 0.179 0.000 0.987 942 R HN 0.719 nan 8.270 nan 0.000 0.493 943 E N 0.886 121.152 120.200 0.109 0.000 2.321 943 E HA 0.251 4.602 4.350 0.000 0.000 0.278 943 E C -1.933 174.831 176.600 0.274 0.000 0.902 943 E CA -0.623 55.928 56.400 0.250 0.000 0.758 943 E CB 1.843 31.659 29.700 0.193 0.000 1.213 943 E HN -0.075 nan 8.360 nan 0.000 0.426 944 L N 3.999 125.441 121.223 0.364 0.000 2.409 944 L HA 0.583 4.923 4.340 0.000 0.000 0.272 944 L C -2.012 175.104 176.870 0.411 0.000 0.980 944 L CA -0.423 54.544 54.840 0.212 0.000 0.826 944 L CB 1.649 43.590 42.059 -0.197 0.000 1.268 944 L HN 0.421 nan 8.230 nan 0.000 0.407 945 N N 4.667 123.556 118.700 0.316 0.000 2.443 945 N HA 0.374 5.114 4.740 0.000 0.000 0.269 945 N C -1.854 173.903 175.510 0.413 0.000 0.985 945 N CA -0.192 53.070 53.050 0.354 0.000 0.921 945 N CB 1.490 40.115 38.487 0.231 0.000 1.195 945 N HN 0.522 nan 8.380 nan 0.000 0.492 946 Y N 1.541 122.040 120.300 0.331 0.000 2.322 946 Y HA 0.500 5.050 4.550 0.000 0.000 0.324 946 Y C 0.959 176.993 175.900 0.223 0.000 1.027 946 Y CA -0.296 57.961 58.100 0.262 0.000 1.179 946 Y CB 0.672 39.314 38.460 0.303 0.000 1.136 946 Y HN 0.800 nan 8.280 nan 0.000 0.449 947 G N 6.774 115.602 108.800 0.046 0.000 2.602 947 G HA2 -0.320 3.640 3.960 0.000 0.000 0.310 947 G HA3 -0.320 3.640 3.960 0.000 0.000 0.310 947 G C -1.625 173.237 174.900 -0.063 0.000 1.183 947 G CA 0.408 45.443 45.100 -0.108 0.000 0.979 947 G HN 0.511 nan 8.290 nan 0.000 0.545 948 P HA 0.208 nan 4.420 nan 0.000 0.238 948 P C 0.545 177.676 177.300 -0.281 0.000 1.183 948 P CA 0.830 63.785 63.100 -0.241 0.000 0.813 948 P CB 0.087 31.572 31.700 -0.358 0.000 0.944 949 H N 0.208 119.249 119.070 -0.048 0.000 2.671 949 H HA 0.412 4.968 4.556 0.000 0.000 0.372 949 H C 0.527 175.696 175.328 -0.265 0.000 1.227 949 H CA 0.385 56.318 56.048 -0.192 0.000 1.426 949 H CB 0.367 29.912 29.762 -0.362 0.000 1.480 949 H HN -0.018 nan 8.280 nan 0.000 0.611 950 Q N 1.861 121.445 119.800 -0.360 0.000 2.364 950 Q HA 0.167 4.507 4.340 0.000 0.000 0.251 950 Q C -2.025 173.908 176.000 -0.112 0.000 0.927 950 Q CA -0.569 55.176 55.803 -0.098 0.000 0.924 950 Q CB 1.120 29.895 28.738 0.061 0.000 1.419 950 Q HN 0.637 nan 8.270 nan 0.000 0.427 951 W N 3.444 124.804 121.300 0.100 0.000 2.647 951 W HA 0.708 5.368 4.660 0.000 0.000 0.353 951 W C 0.022 176.672 176.519 0.218 0.000 1.080 951 W CA -1.087 56.302 57.345 0.074 0.000 1.208 951 W CB 1.974 31.311 29.460 -0.204 0.000 1.396 951 W HN 0.509 nan 8.180 nan 0.000 0.573 952 R N 0.121 120.928 120.500 0.512 0.000 2.740 952 R HA 0.703 5.043 4.340 0.000 0.000 0.273 952 R C -0.049 176.550 176.300 0.499 0.000 0.998 952 R CA -0.559 55.817 56.100 0.460 0.000 0.900 952 R CB 2.251 32.731 30.300 0.299 0.000 1.223 952 R HN 0.800 nan 8.270 nan 0.000 0.466 953 G N 0.845 109.926 108.800 0.468 0.000 2.366 953 G HA2 -0.047 3.913 3.960 0.000 0.000 0.190 953 G HA3 -0.047 3.913 3.960 0.000 0.000 0.190 953 G C -1.837 173.230 174.900 0.278 0.000 1.299 953 G CA -0.523 44.824 45.100 0.412 0.000 1.056 953 G HN 0.495 nan 8.290 nan 0.000 0.468 954 D N 0.373 120.958 120.400 0.308 0.000 2.386 954 D HA 0.622 5.262 4.640 0.000 0.000 0.247 954 D C -0.985 175.360 176.300 0.076 0.000 1.336 954 D CA -0.143 53.892 54.000 0.058 0.000 0.976 954 D CB 1.077 41.937 40.800 0.100 0.000 1.257 954 D HN 0.603 nan 8.370 nan 0.000 0.570 955 F N 0.201 120.165 119.950 0.024 0.000 2.985 955 F HA 0.530 5.057 4.527 0.000 0.000 0.322 955 F C -1.431 174.329 175.800 -0.066 0.000 1.187 955 F CA -1.057 56.896 58.000 -0.079 0.000 0.910 955 F CB 0.668 39.626 39.000 -0.070 0.000 1.411 955 F HN -0.121 nan 8.300 nan 0.000 0.492 956 Q N 1.602 121.477 119.800 0.125 0.000 2.348 956 Q HA 0.703 5.043 4.340 0.000 0.000 0.271 956 Q C -1.364 174.691 176.000 0.092 0.000 1.067 956 Q CA -0.529 55.249 55.803 -0.042 0.000 0.839 956 Q CB 2.853 31.434 28.738 -0.260 0.000 1.354 956 Q HN 0.880 nan 8.270 nan 0.000 0.447 957 F N -1.036 118.793 119.950 -0.202 0.000 2.686 957 F HA 0.753 5.280 4.527 0.000 0.000 0.311 957 F C -1.634 173.945 175.800 -0.368 0.000 1.128 957 F CA -1.043 56.794 58.000 -0.271 0.000 0.946 957 F CB 1.585 40.436 39.000 -0.248 0.000 1.336 957 F HN 0.607 nan 8.300 nan 0.000 0.457 958 N N 1.619 120.192 118.700 -0.212 0.000 2.284 958 N HA 0.733 5.473 4.740 0.000 0.000 0.289 958 N C -2.104 173.391 175.510 -0.025 0.000 1.179 958 N CA -0.769 52.126 53.050 -0.258 0.000 0.774 958 N CB 2.615 40.936 38.487 -0.276 0.000 1.548 958 N HN 1.116 nan 8.380 nan 0.000 0.473 959 I N 0.669 121.214 120.570 -0.042 0.000 2.611 959 I HA 0.551 4.721 4.170 0.000 0.000 0.287 959 I C -1.310 174.768 176.117 -0.066 0.000 1.184 959 I CA 0.066 61.317 61.300 -0.082 0.000 1.054 959 I CB 1.083 38.955 38.000 -0.214 0.000 1.257 959 I HN 1.017 nan 8.210 nan 0.000 0.435 960 S N 6.610 122.305 115.700 -0.009 0.000 2.843 960 S HA 0.594 5.064 4.470 0.000 0.000 0.301 960 S C -0.123 174.466 174.600 -0.019 0.000 1.206 960 S CA -0.917 57.291 58.200 0.013 0.000 0.875 960 S CB 1.907 65.193 63.200 0.142 0.000 1.248 960 S HN 0.604 nan 8.310 nan 0.000 0.555 961 R N -0.027 120.332 120.500 -0.234 0.000 2.466 961 R HA 0.285 4.625 4.340 0.000 0.000 0.279 961 R C -1.144 174.754 176.300 -0.669 0.000 0.976 961 R CA 0.172 56.020 56.100 -0.420 0.000 1.081 961 R CB -0.691 29.205 30.300 -0.674 0.000 1.215 961 R HN 0.634 nan 8.270 nan 0.000 0.546 962 Y N 0.285 120.540 120.300 -0.075 0.000 2.338 962 Y HA 0.213 4.763 4.550 0.000 0.000 0.333 962 Y C 0.497 176.117 175.900 -0.467 0.000 0.968 962 Y CA -1.237 56.715 58.100 -0.246 0.000 1.123 962 Y CB 1.517 39.821 38.460 -0.261 0.000 1.165 962 Y HN -0.076 nan 8.280 nan 0.000 0.452 963 S N 2.446 117.744 115.700 -0.670 0.000 2.564 963 S HA 0.045 4.515 4.470 0.000 0.000 0.278 963 S C 0.957 175.188 174.600 -0.616 0.000 1.333 963 S CA -0.696 56.752 58.200 -1.253 0.000 1.048 963 S CB 1.202 63.597 63.200 -1.341 0.000 0.900 963 S HN 0.752 nan 8.310 nan 0.000 0.505 964 Q N 1.535 121.001 119.800 -0.556 0.000 2.133 964 Q HA -0.266 4.074 4.340 0.000 0.000 0.208 964 Q C 2.100 177.951 176.000 -0.249 0.000 0.991 964 Q CA 2.085 57.707 55.803 -0.302 0.000 0.867 964 Q CB -0.513 28.086 28.738 -0.233 0.000 0.911 964 Q HN 0.967 nan 8.270 nan 0.000 0.417 965 Q N 0.494 120.116 119.800 -0.297 0.000 2.135 965 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 965 Q C 2.031 177.928 176.000 -0.171 0.000 0.981 965 Q CA 1.515 57.203 55.803 -0.192 0.000 0.856 965 Q CB 0.051 28.688 28.738 -0.168 0.000 0.902 965 Q HN 0.463 nan 8.270 nan 0.000 0.425 966 Q N -0.141 119.533 119.800 -0.211 0.000 2.062 966 Q HA -0.086 4.254 4.340 0.000 0.000 0.196 966 Q C 2.364 178.258 176.000 -0.178 0.000 0.967 966 Q CA 0.589 56.288 55.803 -0.173 0.000 0.832 966 Q CB 0.027 28.649 28.738 -0.194 0.000 0.899 966 Q HN 0.433 nan 8.270 nan 0.000 0.442 967 L N 0.662 121.771 121.223 -0.191 0.000 1.997 967 L HA -0.256 4.084 4.340 0.000 0.000 0.216 967 L C 2.722 179.461 176.870 -0.220 0.000 1.074 967 L CA 1.791 56.507 54.840 -0.207 0.000 0.763 967 L CB -0.447 41.511 42.059 -0.170 0.000 0.890 967 L HN 0.441 nan 8.230 nan 0.000 0.434 968 M N -1.018 118.479 119.600 -0.171 0.000 2.632 968 M HA -0.143 4.337 4.480 0.000 0.000 0.256 968 M C 1.477 177.692 176.300 -0.142 0.000 1.080 968 M CA 1.519 56.729 55.300 -0.150 0.000 1.084 968 M CB 0.017 32.551 32.600 -0.110 0.000 1.439 968 M HN 0.200 nan 8.290 nan 0.000 0.509 969 E N -0.279 119.836 120.200 -0.142 0.000 2.340 969 E HA 0.095 4.445 4.350 0.000 0.000 0.198 969 E C -0.188 176.354 176.600 -0.098 0.000 0.961 969 E CA 0.214 56.552 56.400 -0.103 0.000 0.905 969 E CB 0.700 30.350 29.700 -0.082 0.000 0.884 969 E HN 0.366 nan 8.360 nan 0.000 0.491 970 T N 0.831 115.300 114.554 -0.142 0.000 2.817 970 T HA 0.072 4.422 4.350 0.000 0.000 0.293 970 T C 0.938 175.542 174.700 -0.160 0.000 0.964 970 T CA -0.241 61.777 62.100 -0.138 0.000 1.085 970 T CB 1.463 70.226 68.868 -0.174 0.000 0.921 970 T HN 0.023 nan 8.240 nan 0.000 0.502 971 S N 1.693 117.391 115.700 -0.004 0.000 2.605 971 S HA 0.166 4.636 4.470 0.000 0.000 0.217 971 S C 0.007 174.718 174.600 0.185 0.000 0.958 971 S CA -0.186 58.089 58.200 0.126 0.000 0.919 971 S CB -0.224 63.195 63.200 0.365 0.000 0.780 971 S HN 0.759 nan 8.310 nan 0.000 0.507 972 H N 0.307 119.348 119.070 -0.048 0.000 3.086 972 H HA 0.377 4.933 4.556 0.000 0.000 0.353 972 H C 0.679 175.978 175.328 -0.048 0.000 1.134 972 H CA -0.779 55.303 56.048 0.058 0.000 1.248 972 H CB 1.210 31.031 29.762 0.099 0.000 1.878 972 H HN 0.065 nan 8.280 nan 0.000 0.527 973 R N 1.509 122.102 120.500 0.154 0.000 2.170 973 R HA -0.178 4.162 4.340 0.000 0.000 0.242 973 R C 0.796 177.133 176.300 0.062 0.000 1.145 973 R CA 2.030 58.173 56.100 0.072 0.000 0.984 973 R CB -0.367 29.990 30.300 0.095 0.000 0.869 973 R HN 0.749 nan 8.270 nan 0.000 0.455 974 H N 0.321 119.380 119.070 -0.017 0.000 2.539 974 H HA 0.149 4.705 4.556 0.000 0.000 0.267 974 H C 1.336 176.578 175.328 -0.143 0.000 0.982 974 H CA 0.124 56.121 56.048 -0.085 0.000 1.146 974 H CB 0.062 29.748 29.762 -0.126 0.000 1.382 974 H HN 0.254 nan 8.280 nan 0.000 0.577 975 L N 0.973 121.832 121.223 -0.608 0.000 2.607 975 L HA 0.252 4.592 4.340 0.000 0.000 0.228 975 L C 0.292 177.031 176.870 -0.217 0.000 1.123 975 L CA 0.012 54.547 54.840 -0.507 0.000 0.890 975 L CB 0.193 41.946 42.059 -0.510 0.000 1.103 975 L HN 0.091 nan 8.230 nan 0.000 0.468 976 L N 0.476 121.599 121.223 -0.166 0.000 2.375 976 L HA 0.258 4.598 4.340 0.000 0.000 0.271 976 L C 0.247 177.148 176.870 0.052 0.000 1.107 976 L CA -0.367 54.410 54.840 -0.105 0.000 0.806 976 L CB 0.828 42.736 42.059 -0.251 0.000 1.146 976 L HN 0.129 nan 8.230 nan 0.000 0.447 977 H N 1.383 120.511 119.070 0.097 0.000 2.600 977 H HA 0.663 5.219 4.556 0.000 0.000 0.357 977 H C -0.764 174.578 175.328 0.023 0.000 1.106 977 H CA -1.177 54.907 56.048 0.060 0.000 1.193 977 H CB 1.466 31.222 29.762 -0.010 0.000 1.594 977 H HN 0.715 nan 8.280 nan 0.000 0.526 978 A N 3.304 126.117 122.820 -0.012 0.000 2.531 978 A HA 0.113 4.433 4.320 0.000 0.000 0.236 978 A C 0.170 177.738 177.584 -0.025 0.000 1.062 978 A CA -0.088 51.783 52.037 -0.277 0.000 0.760 978 A CB -0.001 18.864 19.000 -0.224 0.000 0.995 978 A HN 0.863 nan 8.150 nan 0.000 0.501 979 E N 0.664 120.797 120.200 -0.112 0.000 2.239 979 E HA 0.241 4.591 4.350 0.000 0.000 0.261 979 E C 0.577 177.189 176.600 0.021 0.000 1.016 979 E CA -0.680 55.765 56.400 0.075 0.000 0.882 979 E CB 0.935 30.756 29.700 0.200 0.000 1.190 979 E HN 0.804 nan 8.360 nan 0.000 0.415 980 E N 0.748 120.962 120.200 0.023 0.000 2.012 980 E HA -0.217 4.133 4.350 0.000 0.000 0.211 980 E C 1.103 177.657 176.600 -0.077 0.000 1.029 980 E CA 1.696 58.074 56.400 -0.036 0.000 0.867 980 E CB -0.240 29.431 29.700 -0.049 0.000 0.790 980 E HN 0.551 nan 8.360 nan 0.000 0.482 981 G N -1.107 107.607 108.800 -0.142 0.000 2.783 981 G HA2 0.173 4.133 3.960 0.000 0.000 0.182 981 G HA3 0.173 4.133 3.960 0.000 0.000 0.182 981 G C -0.470 174.363 174.900 -0.112 0.000 1.516 981 G CA -0.124 44.889 45.100 -0.144 0.000 1.079 981 G HN 0.200 nan 8.290 nan 0.000 0.573 982 T N 0.194 114.691 114.554 -0.095 0.000 2.807 982 T HA 0.379 4.729 4.350 0.000 0.000 0.279 982 T C -1.375 173.275 174.700 -0.083 0.000 0.993 982 T CA -0.087 62.019 62.100 0.011 0.000 0.970 982 T CB 1.276 70.296 68.868 0.254 0.000 0.950 982 T HN 0.343 nan 8.240 nan 0.000 0.441 983 W N 2.917 124.159 121.300 -0.097 0.000 2.417 983 W HA 0.682 5.342 4.660 0.000 0.000 0.317 983 W C -0.388 176.040 176.519 -0.151 0.000 1.121 983 W CA -0.696 56.580 57.345 -0.114 0.000 1.208 983 W CB 0.934 30.327 29.460 -0.111 0.000 1.253 983 W HN 0.389 nan 8.180 nan 0.000 0.533 984 L N 4.589 125.878 121.223 0.110 0.000 2.436 984 L HA 0.514 4.854 4.340 0.000 0.000 0.268 984 L C -1.174 175.632 176.870 -0.108 0.000 0.974 984 L CA -0.379 54.400 54.840 -0.103 0.000 0.826 984 L CB 1.221 43.096 42.059 -0.307 0.000 1.291 984 L HN 0.354 nan 8.230 nan 0.000 0.406 985 N N 6.923 125.536 118.700 -0.145 0.000 2.407 985 N HA 0.508 5.248 4.740 0.000 0.000 0.277 985 N C -1.321 174.059 175.510 -0.216 0.000 0.995 985 N CA -0.388 52.564 53.050 -0.164 0.000 0.903 985 N CB 2.460 40.868 38.487 -0.131 0.000 1.218 985 N HN 0.490 nan 8.380 nan 0.000 0.487 986 I N 1.941 122.347 120.570 -0.275 0.000 2.420 986 I HA 0.217 4.387 4.170 0.000 0.000 0.282 986 I C -0.688 175.286 176.117 -0.237 0.000 1.019 986 I CA -0.553 60.551 61.300 -0.326 0.000 1.130 986 I CB 1.455 39.107 38.000 -0.581 0.000 1.262 986 I HN 0.186 nan 8.210 nan 0.000 0.454 987 D N 4.603 124.893 120.400 -0.182 0.000 2.198 987 D HA 0.297 4.937 4.640 0.000 0.000 0.245 987 D C 1.099 177.181 176.300 -0.363 0.000 1.079 987 D CA -0.067 53.782 54.000 -0.251 0.000 0.854 987 D CB 2.499 43.217 40.800 -0.136 0.000 1.148 987 D HN 0.702 nan 8.370 nan 0.000 0.456 988 G N 1.236 109.584 108.800 -0.753 0.000 2.539 988 G HA2 0.063 4.023 3.960 0.000 0.000 0.215 988 G HA3 0.063 4.023 3.960 0.000 0.000 0.215 988 G C 0.021 173.967 174.900 -1.590 0.000 1.141 988 G CA 0.297 44.697 45.100 -1.167 0.000 0.806 988 G HN 0.360 nan 8.290 nan 0.000 0.533 989 F N -1.289 118.469 119.950 -0.320 0.000 2.628 989 F HA 0.503 5.030 4.527 0.000 0.000 0.309 989 F C -0.790 174.900 175.800 -0.184 0.000 1.108 989 F CA -1.248 56.620 58.000 -0.219 0.000 0.971 989 F CB 1.994 40.759 39.000 -0.391 0.000 1.279 989 F HN -0.077 nan 8.300 nan 0.000 0.441 990 H N 3.124 122.184 119.070 -0.017 0.000 2.856 990 H HA 0.412 4.968 4.556 0.000 0.000 0.355 990 H C -1.126 174.207 175.328 0.008 0.000 1.079 990 H CA -0.703 55.308 56.048 -0.062 0.000 1.240 990 H CB 2.335 32.026 29.762 -0.120 0.000 1.701 990 H HN 0.837 nan 8.280 nan 0.000 0.527 991 M N 2.902 122.389 119.600 -0.188 0.000 2.248 991 M HA 0.254 4.734 4.480 0.000 0.000 0.337 991 M C 0.591 176.975 176.300 0.140 0.000 1.121 991 M CA 0.247 55.531 55.300 -0.026 0.000 1.155 991 M CB 0.370 32.863 32.600 -0.177 0.000 1.514 991 M HN 0.748 nan 8.290 nan 0.000 0.452 992 G N 3.226 112.097 108.800 0.119 0.000 2.667 992 G HA2 0.260 4.220 3.960 0.000 0.000 0.250 992 G HA3 0.260 4.220 3.960 0.000 0.000 0.250 992 G C 0.716 175.598 174.900 -0.030 0.000 1.212 992 G CA -0.395 44.717 45.100 0.021 0.000 0.874 992 G HN 0.978 nan 8.290 nan 0.000 0.561 993 I N -1.634 118.870 120.570 -0.110 0.000 3.035 993 I HA 0.347 4.517 4.170 0.000 0.000 0.271 993 I C 1.216 177.256 176.117 -0.129 0.000 1.190 993 I CA 0.714 61.908 61.300 -0.176 0.000 1.472 993 I CB -0.826 36.969 38.000 -0.342 0.000 1.116 993 I HN 0.922 nan 8.210 nan 0.000 0.443 994 G N 1.527 110.273 108.800 -0.090 0.000 2.598 994 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 994 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 994 G C 0.563 175.440 174.900 -0.039 0.000 1.302 994 G CA 0.191 45.275 45.100 -0.027 0.000 0.903 994 G HN 1.412 nan 8.290 nan 0.000 0.575 995 G N -2.307 106.483 108.800 -0.017 0.000 2.559 995 G HA2 0.027 3.988 3.960 0.000 0.000 0.202 995 G HA3 0.027 3.988 3.960 0.000 0.000 0.202 995 G C 0.554 175.479 174.900 0.042 0.000 0.992 995 G CA 0.965 46.051 45.100 -0.023 0.000 0.764 995 G HN 0.976 nan 8.290 nan 0.000 0.525 996 D N 1.220 121.669 120.400 0.082 0.000 2.354 996 D HA 0.194 4.835 4.640 0.000 0.000 0.216 996 D C 0.853 177.156 176.300 0.004 0.000 0.970 996 D CA 2.011 56.118 54.000 0.178 0.000 0.905 996 D CB 0.171 41.092 40.800 0.202 0.000 0.903 996 D HN 0.868 nan 8.370 nan 0.000 0.508 997 D N -3.749 116.479 120.400 -0.286 0.000 2.926 997 D HA 0.114 4.754 4.640 0.000 0.000 0.272 997 D C -1.104 174.685 176.300 -0.852 0.000 1.172 997 D CA -0.699 52.723 54.000 -0.963 0.000 0.731 997 D CB 0.383 40.289 40.800 -1.490 0.000 1.282 997 D HN -0.275 nan 8.370 nan 0.000 0.430 998 S N 0.442 115.497 115.700 -1.075 0.000 2.661 998 S HA 0.319 4.789 4.470 0.000 0.000 0.245 998 S C -0.501 174.180 174.600 0.135 0.000 1.117 998 S CA -0.578 57.528 58.200 -0.158 0.000 1.091 998 S CB -0.650 62.702 63.200 0.254 0.000 0.887 998 S HN 0.600 nan 8.310 nan 0.000 0.491 999 W N 0.384 121.722 121.300 0.063 0.000 2.079 999 W HA 0.475 5.135 4.660 0.000 0.000 0.285 999 W C 0.163 176.683 176.519 0.000 0.000 0.891 999 W CA -0.237 57.118 57.345 0.017 0.000 1.308 999 W CB -0.481 28.918 29.460 -0.101 0.000 1.047 999 W HN 0.229 nan 8.180 nan 0.000 0.522 1000 S N -0.064 115.541 115.700 -0.157 0.000 2.627 1000 S HA 0.711 5.181 4.470 0.000 0.000 0.283 1000 S C -3.036 171.507 174.600 -0.095 0.000 1.127 1000 S CA -1.713 56.438 58.200 -0.082 0.000 0.863 1000 S CB 1.807 64.986 63.200 -0.035 0.000 1.121 1000 S HN -0.172 nan 8.310 nan 0.000 0.479 1001 P HA 0.273 nan 4.420 nan 0.000 0.274 1001 P C 0.111 177.439 177.300 0.047 0.000 1.291 1001 P CA -0.322 62.776 63.100 -0.004 0.000 0.815 1001 P CB 0.524 32.136 31.700 -0.147 0.000 0.897 1002 S N 0.839 116.580 115.700 0.068 0.000 2.582 1002 S HA 0.150 4.621 4.470 0.000 0.000 0.234 1002 S C 0.517 175.192 174.600 0.125 0.000 0.961 1002 S CA -0.438 57.799 58.200 0.061 0.000 0.953 1002 S CB -0.256 62.940 63.200 -0.006 0.000 0.800 1002 S HN 0.162 nan 8.310 nan 0.000 0.471 1003 V N 3.655 123.698 119.914 0.215 0.000 2.406 1003 V HA 0.386 4.506 4.120 0.000 0.000 0.272 1003 V C 0.739 176.987 176.094 0.255 0.000 1.043 1003 V CA -0.706 61.727 62.300 0.221 0.000 0.915 1003 V CB 0.616 32.559 31.823 0.199 0.000 0.988 1003 V HN 0.568 nan 8.190 nan 0.000 0.466 1004 S N 4.300 120.163 115.700 0.271 0.000 2.624 1004 S HA 0.517 4.987 4.470 0.000 0.000 0.263 1004 S C 1.504 176.226 174.600 0.204 0.000 1.287 1004 S CA -0.042 58.294 58.200 0.227 0.000 0.990 1004 S CB 1.341 64.661 63.200 0.199 0.000 0.950 1004 S HN 1.022 nan 8.310 nan 0.000 0.561 1005 A N 1.422 124.307 122.820 0.107 0.000 1.869 1005 A HA -0.218 4.102 4.320 0.000 0.000 0.218 1005 A C 1.850 179.408 177.584 -0.043 0.000 1.203 1005 A CA 2.148 54.215 52.037 0.049 0.000 0.638 1005 A CB -1.612 17.394 19.000 0.010 0.000 0.831 1005 A HN 0.969 nan 8.150 nan 0.000 0.450 1006 E N -0.807 119.281 120.200 -0.187 0.000 2.501 1006 E HA -0.103 4.247 4.350 0.000 0.000 0.203 1006 E C 0.552 176.742 176.600 -0.685 0.000 1.072 1006 E CA 0.989 57.118 56.400 -0.453 0.000 0.885 1006 E CB -0.453 28.868 29.700 -0.631 0.000 0.813 1006 E HN 0.722 nan 8.360 nan 0.000 0.556 1007 F N 0.358 120.344 119.950 0.060 0.000 2.706 1007 F HA 0.255 4.782 4.527 0.000 0.000 0.313 1007 F C 0.504 176.329 175.800 0.041 0.000 1.096 1007 F CA -0.474 57.562 58.000 0.061 0.000 1.219 1007 F CB 0.242 39.282 39.000 0.066 0.000 1.051 1007 F HN -0.146 nan 8.300 nan 0.000 0.568 1008 Q N 0.864 120.750 119.800 0.144 0.000 2.221 1008 Q HA 0.457 4.797 4.340 0.000 0.000 0.242 1008 Q C -0.148 175.860 176.000 0.014 0.000 0.940 1008 Q CA -0.553 55.304 55.803 0.089 0.000 0.896 1008 Q CB 1.792 30.620 28.738 0.150 0.000 1.226 1008 Q HN 0.190 nan 8.270 nan 0.000 0.463 1009 L N 2.248 123.478 121.223 0.012 0.000 2.466 1009 L HA 0.131 4.471 4.340 0.000 0.000 0.248 1009 L C 0.565 177.465 176.870 0.050 0.000 1.240 1009 L CA -0.081 54.770 54.840 0.018 0.000 1.180 1009 L CB -0.165 41.796 42.059 -0.163 0.000 1.413 1009 L HN 0.714 nan 8.230 nan 0.000 0.406 1010 S N -1.341 114.294 115.700 -0.108 0.000 2.577 1010 S HA 0.108 4.578 4.470 0.000 0.000 0.219 1010 S C 1.786 176.368 174.600 -0.031 0.000 0.962 1010 S CA 0.202 58.242 58.200 -0.267 0.000 0.921 1010 S CB 0.614 63.486 63.200 -0.547 0.000 0.789 1010 S HN 0.516 nan 8.310 nan 0.000 0.497 1011 A N 1.812 124.639 122.820 0.012 0.000 1.978 1011 A HA 0.350 4.670 4.320 0.000 0.000 0.220 1011 A C 2.167 179.604 177.584 -0.244 0.000 1.170 1011 A CA 1.655 53.532 52.037 -0.266 0.000 0.636 1011 A CB -1.323 17.234 19.000 -0.739 0.000 0.810 1011 A HN 1.521 nan 8.150 nan 0.000 0.448 1012 G N -2.002 106.736 108.800 -0.104 0.000 2.358 1012 G HA2 -0.238 3.722 3.960 0.000 0.000 0.224 1012 G HA3 -0.238 3.722 3.960 0.000 0.000 0.224 1012 G C 0.377 175.247 174.900 -0.051 0.000 1.073 1012 G CA 0.246 45.336 45.100 -0.017 0.000 0.635 1012 G HN 0.718 nan 8.290 nan 0.000 0.509 1013 R N -0.460 119.853 120.500 -0.312 0.000 2.533 1013 R HA 0.613 4.953 4.340 0.000 0.000 0.288 1013 R C -1.633 174.403 176.300 -0.439 0.000 1.039 1013 R CA -0.596 55.392 56.100 -0.187 0.000 0.909 1013 R CB 1.557 31.799 30.300 -0.097 0.000 1.195 1013 R HN 0.217 nan 8.270 nan 0.000 0.438 1014 Y N 0.261 120.559 120.300 -0.004 0.000 2.524 1014 Y HA 0.448 4.998 4.550 0.000 0.000 0.344 1014 Y C -0.175 175.901 175.900 0.293 0.000 1.012 1014 Y CA -0.837 57.244 58.100 -0.033 0.000 1.068 1014 Y CB 2.189 40.430 38.460 -0.365 0.000 1.249 1014 Y HN 0.591 nan 8.280 nan 0.000 0.468 1015 H N 1.744 121.110 119.070 0.492 0.000 2.947 1015 H HA 0.554 5.110 4.556 0.000 0.000 0.354 1015 H C -1.929 173.807 175.328 0.680 0.000 1.085 1015 H CA -0.802 55.536 56.048 0.484 0.000 1.253 1015 H CB 1.165 31.082 29.762 0.258 0.000 1.757 1015 H HN 0.535 nan 8.280 nan 0.000 0.523 1016 Y N 1.478 121.792 120.300 0.023 0.000 2.588 1016 Y HA 0.594 5.144 4.550 0.000 0.000 0.343 1016 Y C -1.541 174.266 175.900 -0.156 0.000 1.065 1016 Y CA -1.379 56.743 58.100 0.036 0.000 1.038 1016 Y CB 1.427 39.921 38.460 0.057 0.000 1.297 1016 Y HN 0.690 nan 8.280 nan 0.000 0.467 1017 Q N 1.927 121.712 119.800 -0.025 0.000 2.347 1017 Q HA 0.748 5.088 4.340 0.000 0.000 0.271 1017 Q C -1.728 174.314 176.000 0.070 0.000 1.064 1017 Q CA -0.780 54.990 55.803 -0.055 0.000 0.800 1017 Q CB 3.179 31.962 28.738 0.076 0.000 1.304 1017 Q HN 0.791 nan 8.270 nan 0.000 0.438 1018 L N 1.646 122.892 121.223 0.038 0.000 2.388 1018 L HA 0.664 5.004 4.340 0.000 0.000 0.264 1018 L C -1.146 175.830 176.870 0.177 0.000 0.998 1018 L CA -1.119 53.800 54.840 0.132 0.000 0.817 1018 L CB 2.410 44.521 42.059 0.087 0.000 1.338 1018 L HN 0.332 nan 8.230 nan 0.000 0.414 1019 V N 1.916 121.974 119.914 0.242 0.000 2.350 1019 V HA 0.326 4.447 4.120 0.000 0.000 0.285 1019 V C -1.253 175.039 176.094 0.330 0.000 1.014 1019 V CA -0.313 62.135 62.300 0.247 0.000 0.831 1019 V CB 1.793 33.736 31.823 0.200 0.000 1.000 1019 V HN 0.574 nan 8.190 nan 0.000 0.433 1020 W N 8.053 129.403 121.300 0.083 0.000 2.329 1020 W HA 0.690 5.350 4.660 0.000 0.000 0.312 1020 W C -0.202 176.302 176.519 -0.025 0.000 1.054 1020 W CA -1.285 56.031 57.345 -0.048 0.000 1.245 1020 W CB 1.161 30.633 29.460 0.020 0.000 1.255 1020 W HN 0.773 nan 8.180 nan 0.000 0.436 1021 C N 5.067 124.540 119.300 0.289 0.000 3.241 1021 C HA 0.802 5.263 4.460 0.000 0.000 0.312 1021 C C -0.476 174.544 174.990 0.051 0.000 1.350 1021 C CA -0.590 58.486 59.018 0.097 0.000 1.415 1021 C CB 1.448 29.249 27.740 0.101 0.000 1.770 1021 C HN 0.638 nan 8.230 nan 0.000 0.466 1022 Q N 0.871 120.664 119.800 -0.011 0.000 2.699 1022 Q HA 0.772 5.112 4.340 0.000 0.000 0.240 1022 Q C -0.466 175.496 176.000 -0.063 0.000 1.033 1022 Q CA -0.456 55.295 55.803 -0.087 0.000 0.938 1022 Q CB 1.095 29.730 28.738 -0.171 0.000 1.312 1022 Q HN 0.760 nan 8.270 nan 0.000 0.507 1023 K N 0.000 120.339 120.400 -0.102 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543