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 1jz8_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.089 176.300 -0.352 0.000 0.893 13 R CA 0.000 55.970 56.100 -0.217 0.000 0.921 13 R CB 0.000 30.173 30.300 -0.212 0.000 0.687 14 R N 1.720 121.899 120.500 -0.535 0.000 3.657 14 R HA 0.093 4.441 4.340 0.013 0.000 0.220 14 R C -0.125 175.599 176.300 -0.959 0.000 1.548 14 R CA -0.252 55.124 56.100 -1.208 0.000 1.465 14 R CB 0.116 29.874 30.300 -0.903 0.000 1.330 14 R HN 0.482 nan 8.270 nan 0.000 0.707 15 D N 0.971 121.020 120.400 -0.584 0.000 2.309 15 D HA -0.173 4.474 4.640 0.013 0.000 0.212 15 D C 1.268 177.476 176.300 -0.153 0.000 0.968 15 D CA 1.050 54.816 54.000 -0.390 0.000 0.882 15 D CB 0.149 40.571 40.800 -0.630 0.000 0.918 15 D HN 0.647 nan 8.370 nan 0.000 0.503 16 W N 1.155 122.478 121.300 0.038 0.000 3.292 16 W HA 0.242 4.909 4.660 0.013 0.000 0.263 16 W C 0.404 177.022 176.519 0.166 0.000 1.318 16 W CA -0.338 57.134 57.345 0.212 0.000 1.663 16 W CB -0.228 29.407 29.460 0.293 0.000 1.114 16 W HN -0.214 nan 8.180 nan 0.000 0.706 17 E N 1.328 121.393 120.200 -0.224 0.000 3.385 17 E HA 0.058 4.415 4.350 0.013 0.000 0.206 17 E C -0.779 175.674 176.600 -0.245 0.000 0.997 17 E CA -0.217 56.084 56.400 -0.166 0.000 1.278 17 E CB -0.193 29.396 29.700 -0.185 0.000 1.165 17 E HN 0.024 nan 8.360 nan 0.000 0.452 18 N N 0.982 119.573 118.700 -0.181 0.000 2.629 18 N HA 0.132 4.880 4.740 0.013 0.000 0.277 18 N C -2.447 172.923 175.510 -0.234 0.000 1.188 18 N CA -1.842 51.064 53.050 -0.240 0.000 0.835 18 N CB 1.403 39.758 38.487 -0.219 0.000 1.420 18 N HN -0.160 nan 8.380 nan 0.000 0.542 19 P HA 0.103 nan 4.420 nan 0.000 0.234 19 P C 1.082 178.147 177.300 -0.391 0.000 1.167 19 P CA 0.525 63.311 63.100 -0.524 0.000 0.763 19 P CB 0.105 31.020 31.700 -1.308 0.000 0.835 20 G N -0.515 108.097 108.800 -0.313 0.000 2.813 20 G HA2 0.059 4.027 3.960 0.013 0.000 0.209 20 G HA3 0.059 4.027 3.960 0.013 0.000 0.209 20 G C 0.233 175.053 174.900 -0.134 0.000 1.150 20 G CA 0.175 45.143 45.100 -0.220 0.000 0.785 20 G HN 0.209 nan 8.290 nan 0.000 0.535 21 V N 1.620 121.474 119.914 -0.101 0.000 2.325 21 V HA 0.290 4.418 4.120 0.013 0.000 0.280 21 V C 0.817 176.963 176.094 0.088 0.000 1.016 21 V CA 0.082 62.371 62.300 -0.018 0.000 0.818 21 V CB 1.266 33.060 31.823 -0.049 0.000 1.019 21 V HN 0.321 nan 8.190 nan 0.000 0.434 22 T N 0.719 115.321 114.554 0.081 0.000 3.023 22 T HA 0.366 4.724 4.350 0.013 0.000 0.253 22 T C 0.238 174.994 174.700 0.093 0.000 1.038 22 T CA 0.019 62.177 62.100 0.097 0.000 0.962 22 T CB 0.292 69.171 68.868 0.017 0.000 1.018 22 T HN 0.683 nan 8.240 nan 0.000 0.521 23 Q N 0.202 120.098 119.800 0.161 0.000 2.776 23 Q HA 0.684 5.032 4.340 0.013 0.000 0.289 23 Q C -2.220 173.912 176.000 0.220 0.000 0.912 23 Q CA -1.046 54.845 55.803 0.148 0.000 0.789 23 Q CB 0.904 29.646 28.738 0.006 0.000 1.498 23 Q HN 0.211 nan 8.270 nan 0.000 0.408 24 L N 1.648 123.025 121.223 0.257 0.000 2.436 24 L HA 0.613 4.961 4.340 0.013 0.000 0.268 24 L C -0.559 176.423 176.870 0.188 0.000 0.974 24 L CA -0.887 54.099 54.840 0.243 0.000 0.826 24 L CB 1.917 44.227 42.059 0.419 0.000 1.291 24 L HN 0.848 nan 8.230 nan 0.000 0.406 25 N N 0.806 119.587 118.700 0.136 0.000 2.753 25 N HA -0.210 4.538 4.740 0.013 0.000 0.251 25 N C 0.157 175.741 175.510 0.123 0.000 1.097 25 N CA 0.833 53.955 53.050 0.120 0.000 0.786 25 N CB -0.819 37.696 38.487 0.046 0.000 1.137 25 N HN 0.651 nan 8.380 nan 0.000 0.566 26 R N 0.985 121.474 120.500 -0.018 0.000 2.441 26 R HA 0.400 4.748 4.340 0.013 0.000 0.284 26 R C 0.550 176.706 176.300 -0.240 0.000 1.070 26 R CA -0.382 55.487 56.100 -0.385 0.000 1.047 26 R CB 0.553 30.624 30.300 -0.383 0.000 1.016 26 R HN 0.117 nan 8.270 nan 0.000 0.477 27 L N 2.987 124.041 121.223 -0.281 0.000 2.472 27 L HA 0.288 4.636 4.340 0.013 0.000 0.260 27 L C 0.718 177.536 176.870 -0.086 0.000 1.209 27 L CA -0.532 54.240 54.840 -0.113 0.000 0.817 27 L CB 0.679 42.704 42.059 -0.057 0.000 1.106 27 L HN 0.767 nan 8.230 nan 0.000 0.479 28 A N 1.304 124.117 122.820 -0.013 0.000 2.466 28 A HA 0.485 4.813 4.320 0.013 0.000 0.238 28 A C 0.304 177.894 177.584 0.010 0.000 1.074 28 A CA 0.042 52.079 52.037 -0.000 0.000 0.774 28 A CB 0.160 19.187 19.000 0.045 0.000 1.015 28 A HN 0.801 nan 8.150 nan 0.000 0.498 29 A N 1.180 123.957 122.820 -0.072 0.000 2.332 29 A HA 0.692 5.019 4.320 0.013 0.000 0.258 29 A C 0.096 177.579 177.584 -0.168 0.000 1.087 29 A CA 0.437 52.349 52.037 -0.208 0.000 0.802 29 A CB -0.032 18.851 19.000 -0.196 0.000 1.042 29 A HN 1.848 nan 8.150 nan 0.000 0.489 30 H N -2.163 116.757 119.070 -0.251 0.000 2.917 30 H HA 0.662 5.226 4.556 0.013 0.000 0.299 30 H C -3.402 171.644 175.328 -0.471 0.000 1.418 30 H CA -1.813 54.026 56.048 -0.349 0.000 1.138 30 H CB 0.089 29.544 29.762 -0.512 0.000 1.830 30 H HN 0.379 nan 8.280 nan 0.000 0.514 31 P HA 0.262 nan 4.420 nan 0.000 0.276 31 P C -2.625 174.509 177.300 -0.277 0.000 1.261 31 P CA -1.590 61.302 63.100 -0.347 0.000 0.800 31 P CB -0.101 31.308 31.700 -0.485 0.000 1.066 32 P HA 0.063 nan 4.420 nan 0.000 0.263 32 P C -0.883 176.617 177.300 0.334 0.000 1.195 32 P CA 1.040 64.181 63.100 0.068 0.000 0.762 32 P CB -0.076 31.701 31.700 0.128 0.000 0.799 33 F N 1.753 121.813 119.950 0.183 0.000 2.556 33 F HA 0.648 5.183 4.527 0.013 0.000 0.327 33 F C 0.927 176.674 175.800 -0.088 0.000 1.059 33 F CA -1.395 56.656 58.000 0.085 0.000 0.953 33 F CB 1.333 40.337 39.000 0.006 0.000 1.227 33 F HN 0.287 nan 8.300 nan 0.000 0.478 34 A N -0.046 122.729 122.820 -0.075 0.000 2.664 34 A HA 0.338 4.666 4.320 0.013 0.000 0.222 34 A C 0.604 177.914 177.584 -0.456 0.000 1.320 34 A CA 0.615 52.373 52.037 -0.465 0.000 1.029 34 A CB -0.321 17.951 19.000 -1.213 0.000 1.318 34 A HN 0.902 nan 8.150 nan 0.000 0.589 35 S N 0.478 116.020 115.700 -0.263 0.000 3.524 35 S HA -0.145 4.333 4.470 0.013 0.000 0.377 35 S C -0.016 174.527 174.600 -0.094 0.000 0.949 35 S CA 0.440 58.541 58.200 -0.165 0.000 1.264 35 S CB -1.587 61.512 63.200 -0.169 0.000 0.918 35 S HN 0.466 nan 8.310 nan 0.000 0.517 36 W N 1.935 123.216 121.300 -0.032 0.000 2.137 36 W HA 0.257 4.924 4.660 0.012 0.000 0.344 36 W C 1.400 177.896 176.519 -0.039 0.000 1.286 36 W CA -0.576 56.755 57.345 -0.023 0.000 1.240 36 W CB 0.260 29.706 29.460 -0.023 0.000 1.141 36 W HN 0.360 nan 8.180 nan 0.000 0.579 37 R N 1.738 122.360 120.500 0.204 0.000 2.509 37 R HA 0.091 4.439 4.340 0.013 0.000 0.300 37 R C -0.059 176.290 176.300 0.080 0.000 0.985 37 R CA -0.107 56.053 56.100 0.100 0.000 1.092 37 R CB -0.088 30.241 30.300 0.048 0.000 1.237 37 R HN 0.361 nan 8.270 nan 0.000 0.546 38 N N 0.061 118.820 118.700 0.098 0.000 2.397 38 N HA 0.116 4.863 4.740 0.013 0.000 0.291 38 N C -0.128 175.345 175.510 -0.062 0.000 1.065 38 N CA -0.031 53.028 53.050 0.015 0.000 0.884 38 N CB 1.942 40.440 38.487 0.018 0.000 1.551 38 N HN -0.254 nan 8.380 nan 0.000 0.487 39 S N 2.263 117.904 115.700 -0.098 0.000 2.402 39 S HA -0.139 4.338 4.470 0.013 0.000 0.229 39 S C 1.375 175.798 174.600 -0.296 0.000 1.021 39 S CA 0.963 59.059 58.200 -0.173 0.000 0.974 39 S CB 0.036 63.165 63.200 -0.118 0.000 0.800 39 S HN 0.751 nan 8.310 nan 0.000 0.484 40 E N 1.680 121.727 120.200 -0.256 0.000 2.152 40 E HA -0.108 4.250 4.350 0.013 0.000 0.192 40 E C 1.803 178.185 176.600 -0.362 0.000 0.983 40 E CA 0.965 57.174 56.400 -0.317 0.000 0.818 40 E CB -0.124 29.449 29.700 -0.213 0.000 0.758 40 E HN 0.285 nan 8.360 nan 0.000 0.467 41 E N 0.210 120.208 120.200 -0.337 0.000 2.106 41 E HA -0.121 4.236 4.350 0.013 0.000 0.192 41 E C 1.976 178.009 176.600 -0.944 0.000 0.984 41 E CA 1.081 57.246 56.400 -0.391 0.000 0.806 41 E CB -0.429 29.186 29.700 -0.141 0.000 0.750 41 E HN 0.388 nan 8.360 nan 0.000 0.458 42 A N 1.593 123.648 122.820 -1.275 0.000 1.898 42 A HA -0.179 4.149 4.320 0.013 0.000 0.216 42 A C 2.243 179.241 177.584 -0.976 0.000 1.181 42 A CA 1.583 52.559 52.037 -1.770 0.000 0.620 42 A CB -0.483 17.955 19.000 -0.937 0.000 0.819 42 A HN 0.127 nan 8.150 nan 0.000 0.442 43 R N -0.190 119.911 120.500 -0.665 0.000 2.081 43 R HA -0.136 4.212 4.340 0.013 0.000 0.235 43 R C 2.041 178.086 176.300 -0.424 0.000 1.131 43 R CA 2.090 57.852 56.100 -0.563 0.000 0.960 43 R CB -0.471 29.374 30.300 -0.759 0.000 0.856 43 R HN 0.633 nan 8.270 nan 0.000 0.436 44 T N -2.637 111.680 114.554 -0.395 0.000 3.148 44 T HA 0.015 4.372 4.350 0.013 0.000 0.253 44 T C 0.325 174.938 174.700 -0.145 0.000 1.134 44 T CA 0.620 62.581 62.100 -0.232 0.000 1.051 44 T CB -0.011 68.746 68.868 -0.184 0.000 0.959 44 T HN 0.377 nan 8.240 nan 0.000 0.525 45 D N 0.690 120.966 120.400 -0.207 0.000 2.870 45 D HA -0.158 4.490 4.640 0.013 0.000 0.228 45 D C 0.096 176.513 176.300 0.194 0.000 1.147 45 D CA 0.475 54.506 54.000 0.052 0.000 0.757 45 D CB -1.018 39.856 40.800 0.124 0.000 1.091 45 D HN 0.600 nan 8.370 nan 0.000 0.429 46 R N -0.066 120.518 120.500 0.140 0.000 2.583 46 R HA 0.524 4.871 4.340 0.013 0.000 0.268 46 R C -2.104 174.453 176.300 0.429 0.000 1.101 46 R CA -1.389 54.840 56.100 0.217 0.000 1.180 46 R CB 0.186 30.557 30.300 0.117 0.000 1.128 46 R HN 0.057 nan 8.270 nan 0.000 0.568 47 P HA -0.012 nan 4.420 nan 0.000 0.269 47 P C -0.834 176.629 177.300 0.271 0.000 1.215 47 P CA 0.039 63.281 63.100 0.238 0.000 0.780 47 P CB 0.789 32.576 31.700 0.144 0.000 0.898 48 S N 1.000 116.736 115.700 0.060 0.000 2.454 48 S HA 0.150 4.627 4.470 0.013 0.000 0.306 48 S C 0.835 175.451 174.600 0.026 0.000 1.100 48 S CA -0.518 57.648 58.200 -0.055 0.000 1.087 48 S CB 0.543 63.394 63.200 -0.582 0.000 1.019 48 S HN 0.193 nan 8.310 nan 0.000 0.480 49 Q N 2.618 122.471 119.800 0.087 0.000 2.437 49 Q HA 0.009 4.357 4.340 0.013 0.000 0.210 49 Q C 0.860 176.993 176.000 0.222 0.000 0.972 49 Q CA 1.113 57.004 55.803 0.146 0.000 0.903 49 Q CB -0.105 28.718 28.738 0.142 0.000 0.967 49 Q HN 0.696 nan 8.270 nan 0.000 0.486 50 Q N -0.455 119.391 119.800 0.077 0.000 2.360 50 Q HA 0.140 4.487 4.340 0.013 0.000 0.202 50 Q C -0.405 175.654 176.000 0.098 0.000 0.915 50 Q CA 0.065 55.870 55.803 0.003 0.000 0.943 50 Q CB 0.535 29.179 28.738 -0.157 0.000 1.064 50 Q HN 0.026 nan 8.270 nan 0.000 0.511 51 L N 0.696 121.989 121.223 0.117 0.000 2.377 51 L HA 0.454 4.802 4.340 0.013 0.000 0.270 51 L C -1.213 175.742 176.870 0.142 0.000 0.991 51 L CA -0.383 54.519 54.840 0.104 0.000 0.851 51 L CB 0.991 43.019 42.059 -0.051 0.000 1.218 51 L HN -0.109 nan 8.230 nan 0.000 0.420 52 R N 2.329 122.943 120.500 0.191 0.000 2.604 52 R HA 0.645 4.993 4.340 0.013 0.000 0.287 52 R C -0.552 175.770 176.300 0.037 0.000 0.970 52 R CA -0.752 55.405 56.100 0.095 0.000 0.946 52 R CB 2.022 32.339 30.300 0.028 0.000 1.127 52 R HN 0.642 nan 8.270 nan 0.000 0.473 53 S N 1.571 117.282 115.700 0.018 0.000 2.541 53 S HA 0.309 4.787 4.470 0.013 0.000 0.283 53 S C 0.510 175.105 174.600 -0.009 0.000 1.196 53 S CA -0.669 57.533 58.200 0.002 0.000 1.062 53 S CB 0.601 63.813 63.200 0.020 0.000 1.009 53 S HN 0.553 nan 8.310 nan 0.000 0.502 54 L N 3.411 124.626 121.223 -0.014 0.000 2.818 54 L HA 0.304 4.652 4.340 0.013 0.000 0.243 54 L C 0.165 177.173 176.870 0.229 0.000 1.185 54 L CA -0.366 54.484 54.840 0.018 0.000 0.988 54 L CB -0.284 41.722 42.059 -0.089 0.000 1.292 54 L HN 0.521 nan 8.230 nan 0.000 0.519 55 N N 1.187 119.973 118.700 0.143 0.000 2.415 55 N HA 0.455 5.203 4.740 0.013 0.000 0.248 55 N C 0.672 176.315 175.510 0.222 0.000 1.271 55 N CA 1.061 54.208 53.050 0.163 0.000 0.913 55 N CB 1.150 39.664 38.487 0.046 0.000 1.129 55 N HN 0.296 nan 8.380 nan 0.000 0.444 56 G N 0.216 109.166 108.800 0.249 0.000 2.247 56 G HA2 -0.079 3.889 3.960 0.013 0.000 0.229 56 G HA3 -0.079 3.889 3.960 0.013 0.000 0.229 56 G C -1.560 173.553 174.900 0.355 0.000 1.345 56 G CA -0.778 44.458 45.100 0.227 0.000 1.100 56 G HN 0.471 nan 8.290 nan 0.000 0.473 57 E N 0.003 120.381 120.200 0.297 0.000 2.229 57 E HA 0.481 4.838 4.350 0.013 0.000 0.283 57 E C -1.002 175.855 176.600 0.428 0.000 1.030 57 E CA -0.120 56.470 56.400 0.316 0.000 0.836 57 E CB 1.125 30.928 29.700 0.173 0.000 1.068 57 E HN 0.361 nan 8.360 nan 0.000 0.401 58 W N 1.486 122.876 121.300 0.151 0.000 2.967 58 W HA 0.407 5.075 4.660 0.013 0.000 0.342 58 W C 0.074 176.722 176.519 0.216 0.000 1.162 58 W CA -0.737 56.730 57.345 0.202 0.000 1.085 58 W CB 0.829 30.464 29.460 0.292 0.000 1.460 58 W HN 0.188 nan 8.180 nan 0.000 0.584 59 R N 1.375 122.159 120.500 0.473 0.000 2.532 59 R HA 0.650 4.997 4.340 0.013 0.000 0.295 59 R C -1.559 174.990 176.300 0.416 0.000 0.968 59 R CA -0.921 55.394 56.100 0.358 0.000 0.916 59 R CB 1.581 32.037 30.300 0.261 0.000 1.124 59 R HN 0.494 nan 8.270 nan 0.000 0.463 60 F N 0.279 120.266 119.950 0.062 0.000 2.596 60 F HA 0.609 5.143 4.527 0.013 0.000 0.311 60 F C -1.674 173.962 175.800 -0.272 0.000 1.116 60 F CA -0.565 57.327 58.000 -0.181 0.000 0.957 60 F CB 1.921 40.705 39.000 -0.361 0.000 1.250 60 F HN 0.631 nan 8.300 nan 0.000 0.444 61 A N 4.550 126.634 122.820 -1.228 0.000 2.414 61 A HA 0.594 4.922 4.320 0.013 0.000 0.306 61 A C -2.344 174.297 177.584 -1.572 0.000 1.054 61 A CA -0.569 50.817 52.037 -1.084 0.000 0.724 61 A CB 0.824 19.474 19.000 -0.583 0.000 1.267 61 A HN 0.970 nan 8.150 nan 0.000 0.418 62 W N 2.705 123.137 121.300 -1.448 0.000 2.417 62 W HA 0.720 5.388 4.660 0.013 0.000 0.317 62 W C -1.765 174.108 176.519 -1.076 0.000 1.121 62 W CA -0.289 56.365 57.345 -1.152 0.000 1.208 62 W CB 0.922 29.970 29.460 -0.687 0.000 1.253 62 W HN 0.497 nan 8.180 nan 0.000 0.533 63 F N 6.207 125.510 119.950 -1.078 0.000 2.577 63 F HA 0.390 4.924 4.527 0.013 0.000 0.318 63 F C -1.288 173.645 175.800 -1.445 0.000 1.065 63 F CA -2.293 55.178 58.000 -0.882 0.000 0.929 63 F CB 1.876 40.501 39.000 -0.624 0.000 1.237 63 F HN 0.215 nan 8.300 nan 0.000 0.468 64 P HA 0.177 nan 4.420 nan 0.000 0.245 64 P C -0.471 176.686 177.300 -0.239 0.000 1.206 64 P CA 0.683 63.475 63.100 -0.514 0.000 0.781 64 P CB 0.755 32.457 31.700 0.002 0.000 0.994 65 A N -0.135 122.558 122.820 -0.212 0.000 2.597 65 A HA 0.499 4.827 4.320 0.013 0.000 0.292 65 A C -2.515 174.961 177.584 -0.180 0.000 1.057 65 A CA -0.880 51.087 52.037 -0.118 0.000 0.674 65 A CB 0.437 19.432 19.000 -0.008 0.000 1.278 65 A HN -0.306 nan 8.150 nan 0.000 0.416 66 P HA -0.060 nan 4.420 nan 0.000 0.221 66 P C 0.723 177.921 177.300 -0.169 0.000 1.150 66 P CA 1.328 64.286 63.100 -0.236 0.000 0.800 66 P CB 0.258 31.779 31.700 -0.299 0.000 0.787 67 E N 0.181 120.340 120.200 -0.068 0.000 2.333 67 E HA -0.063 4.294 4.350 0.013 0.000 0.198 67 E C 1.959 178.488 176.600 -0.118 0.000 1.007 67 E CA 1.141 57.513 56.400 -0.048 0.000 0.845 67 E CB -0.835 28.873 29.700 0.013 0.000 0.766 67 E HN 0.233 nan 8.360 nan 0.000 0.507 68 A N 0.227 122.942 122.820 -0.176 0.000 2.218 68 A HA 0.107 4.435 4.320 0.013 0.000 0.209 68 A C 0.718 178.004 177.584 -0.497 0.000 1.168 68 A CA -0.149 51.778 52.037 -0.185 0.000 0.804 68 A CB 0.332 19.325 19.000 -0.011 0.000 0.834 68 A HN 0.038 nan 8.150 nan 0.000 0.482 69 V N 3.036 122.518 119.914 -0.721 0.000 2.508 69 V HA 0.213 4.341 4.120 0.013 0.000 0.281 69 V C -2.078 173.656 176.094 -0.601 0.000 1.041 69 V CA -1.319 60.301 62.300 -1.133 0.000 1.016 69 V CB 0.721 31.973 31.823 -0.952 0.000 0.984 69 V HN 0.348 nan 8.190 nan 0.000 0.478 70 P HA 0.233 nan 4.420 nan 0.000 0.279 70 P C 0.638 177.871 177.300 -0.112 0.000 1.239 70 P CA -0.551 62.426 63.100 -0.205 0.000 0.789 70 P CB 0.760 32.396 31.700 -0.107 0.000 0.933 71 E N 0.977 121.126 120.200 -0.084 0.000 2.219 71 E HA -0.226 4.132 4.350 0.013 0.000 0.198 71 E C 1.455 178.028 176.600 -0.045 0.000 0.998 71 E CA 1.631 57.988 56.400 -0.070 0.000 0.818 71 E CB -0.692 28.973 29.700 -0.059 0.000 0.741 71 E HN 0.442 nan 8.360 nan 0.000 0.477 72 S N 0.531 116.223 115.700 -0.014 0.000 2.419 72 S HA -0.223 4.254 4.470 0.013 0.000 0.235 72 S C 1.660 176.278 174.600 0.030 0.000 1.019 72 S CA 0.782 58.982 58.200 0.001 0.000 0.982 72 S CB -0.882 62.328 63.200 0.017 0.000 0.789 72 S HN 0.663 nan 8.310 nan 0.000 0.490 73 W N 2.389 123.589 121.300 -0.167 0.000 2.364 73 W HA 0.051 4.718 4.660 0.013 0.000 0.281 73 W C 1.540 177.939 176.519 -0.200 0.000 1.219 73 W CA 0.799 58.045 57.345 -0.164 0.000 1.220 73 W CB -0.309 29.026 29.460 -0.207 0.000 1.127 73 W HN 0.265 nan 8.180 nan 0.000 0.556 74 L N 0.285 121.304 121.223 -0.340 0.000 2.201 74 L HA -0.140 4.208 4.340 0.013 0.000 0.212 74 L C 2.154 178.794 176.870 -0.383 0.000 1.105 74 L CA 1.627 56.095 54.840 -0.621 0.000 0.775 74 L CB -0.633 41.089 42.059 -0.561 0.000 0.913 74 L HN -0.038 nan 8.230 nan 0.000 0.440 75 E N -1.021 119.046 120.200 -0.222 0.000 2.340 75 E HA 0.014 4.371 4.350 0.013 0.000 0.198 75 E C 0.143 176.674 176.600 -0.114 0.000 0.961 75 E CA 0.194 56.513 56.400 -0.135 0.000 0.905 75 E CB 0.621 30.276 29.700 -0.075 0.000 0.884 75 E HN 0.534 nan 8.360 nan 0.000 0.491 76 C N -1.185 118.053 119.300 -0.104 0.000 3.288 76 C HA 0.577 5.045 4.460 0.013 0.000 0.318 76 C C -0.400 174.582 174.990 -0.013 0.000 1.356 76 C CA -1.641 57.341 59.018 -0.060 0.000 1.359 76 C CB 0.749 28.473 27.740 -0.026 0.000 1.688 76 C HN 0.184 nan 8.230 nan 0.000 0.467 77 D N 0.511 120.920 120.400 0.015 0.000 2.506 77 D HA 0.324 4.971 4.640 0.013 0.000 0.234 77 D C -0.290 176.083 176.300 0.121 0.000 1.143 77 D CA 0.388 54.439 54.000 0.086 0.000 0.871 77 D CB 0.499 41.339 40.800 0.066 0.000 1.190 77 D HN 0.584 nan 8.370 nan 0.000 0.459 78 L N 5.865 127.200 121.223 0.188 0.000 2.290 78 L HA 0.262 4.610 4.340 0.013 0.000 0.284 78 L C -1.209 175.718 176.870 0.094 0.000 1.078 78 L CA -1.490 53.438 54.840 0.146 0.000 0.815 78 L CB 1.328 43.486 42.059 0.165 0.000 1.162 78 L HN 0.520 nan 8.230 nan 0.000 0.435 79 P HA -0.178 nan 4.420 nan 0.000 0.220 79 P C 0.813 178.138 177.300 0.042 0.000 1.148 79 P CA 1.008 64.138 63.100 0.050 0.000 0.803 79 P CB 0.098 31.821 31.700 0.039 0.000 0.782 80 E N -0.292 119.928 120.200 0.034 0.000 2.489 80 E HA 0.128 4.486 4.350 0.013 0.000 0.193 80 E C 0.615 177.219 176.600 0.006 0.000 1.057 80 E CA -0.169 56.239 56.400 0.013 0.000 0.866 80 E CB -0.469 29.225 29.700 -0.010 0.000 0.916 80 E HN 0.023 nan 8.360 nan 0.000 0.500 81 A N 1.225 124.060 122.820 0.026 0.000 2.386 81 A HA 0.164 4.491 4.320 0.013 0.000 0.246 81 A C -0.160 177.471 177.584 0.079 0.000 1.089 81 A CA -0.076 51.977 52.037 0.027 0.000 0.790 81 A CB 0.310 19.358 19.000 0.079 0.000 1.042 81 A HN 0.130 nan 8.150 nan 0.000 0.497 82 D N -0.466 120.014 120.400 0.133 0.000 2.299 82 D HA 0.521 5.169 4.640 0.013 0.000 0.243 82 D C -0.591 175.822 176.300 0.188 0.000 0.982 82 D CA 0.004 54.106 54.000 0.170 0.000 0.924 82 D CB 1.500 42.460 40.800 0.267 0.000 1.238 82 D HN 0.401 nan 8.370 nan 0.000 0.484 83 T N 0.495 115.140 114.554 0.151 0.000 2.806 83 T HA 0.524 4.882 4.350 0.013 0.000 0.290 83 T C 0.138 174.927 174.700 0.150 0.000 0.966 83 T CA -0.531 61.668 62.100 0.165 0.000 1.060 83 T CB 0.817 69.759 68.868 0.124 0.000 0.927 83 T HN 0.265 nan 8.240 nan 0.000 0.485 84 V N 0.921 120.954 119.914 0.198 0.000 3.130 84 V HA 0.775 4.903 4.120 0.013 0.000 0.310 84 V C -0.315 175.891 176.094 0.187 0.000 1.158 84 V CA -1.086 61.286 62.300 0.121 0.000 1.029 84 V CB 1.622 33.523 31.823 0.129 0.000 1.057 84 V HN 0.536 nan 8.190 nan 0.000 0.436 85 V N 1.941 121.939 119.914 0.139 0.000 2.583 85 V HA 0.478 4.606 4.120 0.013 0.000 0.287 85 V C 0.037 176.203 176.094 0.120 0.000 1.051 85 V CA 0.015 62.400 62.300 0.142 0.000 1.010 85 V CB 1.404 33.280 31.823 0.088 0.000 0.988 85 V HN 0.746 nan 8.190 nan 0.000 0.478 86 V N 7.338 127.237 119.914 -0.025 0.000 2.588 86 V HA 0.462 4.590 4.120 0.013 0.000 0.304 86 V C -2.271 173.695 176.094 -0.213 0.000 1.042 86 V CA -1.620 60.509 62.300 -0.286 0.000 0.877 86 V CB 2.402 33.648 31.823 -0.962 0.000 0.996 86 V HN 0.763 nan 8.190 nan 0.000 0.425 87 P HA 0.503 nan 4.420 nan 0.000 0.279 87 P C -0.867 176.362 177.300 -0.119 0.000 1.252 87 P CA -0.214 62.756 63.100 -0.217 0.000 0.811 87 P CB 1.535 33.121 31.700 -0.188 0.000 1.035 88 S N 0.186 115.827 115.700 -0.098 0.000 2.595 88 S HA 0.406 4.883 4.470 0.013 0.000 0.270 88 S C -1.284 173.253 174.600 -0.105 0.000 1.145 88 S CA -1.025 57.105 58.200 -0.116 0.000 0.825 88 S CB 0.433 63.527 63.200 -0.176 0.000 1.107 88 S HN 0.358 nan 8.310 nan 0.000 0.461 89 N N 0.980 119.554 118.700 -0.211 0.000 2.408 89 N HA 0.433 5.181 4.740 0.013 0.000 0.280 89 N C 0.483 175.818 175.510 -0.291 0.000 1.002 89 N CA -0.844 52.056 53.050 -0.250 0.000 0.907 89 N CB 0.728 39.036 38.487 -0.298 0.000 1.161 89 N HN 0.860 nan 8.380 nan 0.000 0.488 90 W N 2.488 123.643 121.300 -0.242 0.000 2.421 90 W HA -0.055 4.613 4.660 0.013 0.000 0.270 90 W C 1.034 177.514 176.519 -0.065 0.000 1.233 90 W CA 0.682 57.882 57.345 -0.242 0.000 1.226 90 W CB -0.361 28.959 29.460 -0.234 0.000 1.121 90 W HN 0.505 nan 8.180 nan 0.000 0.579 91 Q N 0.554 120.329 119.800 -0.043 0.000 2.170 91 Q HA -0.143 4.205 4.340 0.013 0.000 0.203 91 Q C 2.178 178.113 176.000 -0.108 0.000 0.976 91 Q CA 2.062 57.832 55.803 -0.056 0.000 0.858 91 Q CB -0.579 28.003 28.738 -0.259 0.000 0.907 91 Q HN 0.267 nan 8.270 nan 0.000 0.433 92 M N -0.873 118.623 119.600 -0.173 0.000 2.557 92 M HA -0.059 4.428 4.480 0.013 0.000 0.259 92 M C 0.702 177.055 176.300 0.089 0.000 1.086 92 M CA 1.393 56.622 55.300 -0.119 0.000 1.096 92 M CB -0.591 31.918 32.600 -0.151 0.000 1.424 92 M HN 0.378 nan 8.290 nan 0.000 0.488 93 H N -0.844 118.232 119.070 0.011 0.000 2.586 93 H HA 0.286 4.850 4.556 0.013 0.000 0.273 93 H C 1.248 176.459 175.328 -0.194 0.000 0.997 93 H CA 0.107 56.138 56.048 -0.029 0.000 1.177 93 H CB 0.455 30.287 29.762 0.117 0.000 1.471 93 H HN 0.557 nan 8.280 nan 0.000 0.538 94 G N 0.601 109.395 108.800 -0.011 0.000 2.157 94 G HA2 -0.357 3.611 3.960 0.013 0.000 0.248 94 G HA3 -0.357 3.611 3.960 0.013 0.000 0.248 94 G C 0.358 175.120 174.900 -0.230 0.000 0.979 94 G CA 0.271 45.293 45.100 -0.130 0.000 0.650 94 G HN 0.448 nan 8.290 nan 0.000 0.529 95 Y N 1.617 121.924 120.300 0.010 0.000 2.373 95 Y HA 0.271 4.829 4.550 0.013 0.000 0.293 95 Y C 1.623 177.271 175.900 -0.420 0.000 1.129 95 Y CA 1.562 59.543 58.100 -0.199 0.000 1.226 95 Y CB 0.244 38.653 38.460 -0.085 0.000 1.000 95 Y HN 0.654 nan 8.280 nan 0.000 0.549 96 D N -1.994 118.452 120.400 0.077 0.000 2.665 96 D HA 0.493 5.141 4.640 0.013 0.000 0.287 96 D C -1.206 175.165 176.300 0.119 0.000 1.266 96 D CA -0.866 53.177 54.000 0.072 0.000 0.830 96 D CB 0.778 41.744 40.800 0.277 0.000 1.356 96 D HN -0.067 nan 8.370 nan 0.000 0.437 97 A N 0.080 122.979 122.820 0.131 0.000 2.310 97 A HA 0.714 5.041 4.320 0.013 0.000 0.299 97 A C -2.343 175.259 177.584 0.029 0.000 1.147 97 A CA -1.210 50.876 52.037 0.082 0.000 0.818 97 A CB 0.155 19.277 19.000 0.204 0.000 1.096 97 A HN 0.548 nan 8.150 nan 0.000 0.495 98 P HA 0.420 nan 4.420 nan 0.000 0.274 98 P C -0.880 176.606 177.300 0.311 0.000 1.231 98 P CA 0.100 63.157 63.100 -0.072 0.000 0.790 98 P CB 0.736 32.146 31.700 -0.483 0.000 0.951 99 I N 2.153 122.999 120.570 0.460 0.000 2.474 99 I HA 0.261 4.438 4.170 0.013 0.000 0.294 99 I C -0.564 175.733 176.117 0.300 0.000 1.005 99 I CA -0.964 60.585 61.300 0.415 0.000 1.113 99 I CB 1.689 39.865 38.000 0.294 0.000 1.289 99 I HN 0.290 nan 8.210 nan 0.000 0.436 100 Y N 5.958 126.167 120.300 -0.153 0.000 2.587 100 Y HA 0.487 5.045 4.550 0.012 0.000 0.328 100 Y C -0.343 175.382 175.900 -0.290 0.000 0.980 100 Y CA -0.526 57.197 58.100 -0.628 0.000 1.272 100 Y CB 1.088 38.657 38.460 -1.486 0.000 1.094 100 Y HN 0.520 nan 8.280 nan 0.000 0.503 101 T N 4.968 119.000 114.554 -0.870 0.000 2.863 101 T HA 0.261 4.619 4.350 0.013 0.000 0.285 101 T C 0.294 174.504 174.700 -0.817 0.000 1.009 101 T CA -0.550 61.081 62.100 -0.783 0.000 0.989 101 T CB 1.107 69.751 68.868 -0.372 0.000 1.004 101 T HN 0.757 nan 8.240 nan 0.000 0.455 102 N N 2.742 121.015 118.700 -0.711 0.000 2.272 102 N HA 0.049 4.797 4.740 0.013 0.000 0.195 102 N C 1.549 176.791 175.510 -0.447 0.000 1.048 102 N CA 1.461 54.230 53.050 -0.468 0.000 0.912 102 N CB -0.595 37.637 38.487 -0.424 0.000 1.096 102 N HN 0.392 nan 8.380 nan 0.000 0.471 103 V N 0.305 119.887 119.914 -0.552 0.000 2.581 103 V HA 0.124 4.251 4.120 0.013 0.000 0.240 103 V C 0.403 176.199 176.094 -0.498 0.000 1.054 103 V CA 0.810 62.712 62.300 -0.664 0.000 1.076 103 V CB -0.599 30.730 31.823 -0.823 0.000 0.748 103 V HN 0.309 nan 8.190 nan 0.000 0.474 104 T N 1.058 115.383 114.554 -0.382 0.000 2.902 104 T HA 0.146 4.503 4.350 0.013 0.000 0.301 104 T C -0.330 174.243 174.700 -0.212 0.000 1.012 104 T CA 0.246 62.198 62.100 -0.247 0.000 1.151 104 T CB -0.157 68.593 68.868 -0.197 0.000 0.946 104 T HN 0.163 nan 8.240 nan 0.000 0.542 105 Y N 4.705 124.904 120.300 -0.168 0.000 2.550 105 Y HA 0.113 4.670 4.550 0.012 0.000 0.343 105 Y C -0.776 174.992 175.900 -0.220 0.000 1.245 105 Y CA -1.472 56.516 58.100 -0.186 0.000 1.462 105 Y CB 0.362 38.705 38.460 -0.196 0.000 1.340 105 Y HN 0.504 nan 8.280 nan 0.000 0.604 106 P HA 0.030 nan 4.420 nan 0.000 0.245 106 P C -0.381 176.679 177.300 -0.400 0.000 1.212 106 P CA 1.010 63.989 63.100 -0.200 0.000 0.774 106 P CB 0.055 31.668 31.700 -0.145 0.000 0.999 107 I N -5.084 115.231 120.570 -0.425 0.000 2.892 107 I HA 0.493 4.671 4.170 0.013 0.000 0.306 107 I C -0.554 175.420 176.117 -0.238 0.000 1.078 107 I CA -1.223 59.800 61.300 -0.462 0.000 1.032 107 I CB 1.753 39.335 38.000 -0.697 0.000 1.229 107 I HN -0.462 nan 8.210 nan 0.000 0.435 108 T N 2.977 117.437 114.554 -0.157 0.000 2.908 108 T HA 0.125 4.483 4.350 0.013 0.000 0.301 108 T C 0.234 174.912 174.700 -0.036 0.000 1.019 108 T CA -0.170 61.890 62.100 -0.065 0.000 1.152 108 T CB 0.521 69.375 68.868 -0.023 0.000 0.966 108 T HN 0.380 nan 8.240 nan 0.000 0.540 109 V N 5.164 125.073 119.914 -0.010 0.000 2.364 109 V HA 0.213 4.341 4.120 0.013 0.000 0.252 109 V C 0.716 176.856 176.094 0.077 0.000 1.075 109 V CA -0.171 62.145 62.300 0.027 0.000 1.033 109 V CB -0.336 31.490 31.823 0.004 0.000 1.116 109 V HN 0.848 nan 8.190 nan 0.000 0.488 110 N N 5.974 124.779 118.700 0.175 0.000 2.666 110 N HA 0.256 5.004 4.740 0.013 0.000 0.253 110 N C -2.941 172.650 175.510 0.136 0.000 1.621 110 N CA -1.284 51.858 53.050 0.154 0.000 0.785 110 N CB 1.470 40.084 38.487 0.212 0.000 1.332 110 N HN 0.263 nan 8.380 nan 0.000 0.514 111 P HA 0.202 nan 4.420 nan 0.000 0.266 111 P C -2.244 174.849 177.300 -0.346 0.000 1.195 111 P CA -0.707 62.009 63.100 -0.639 0.000 0.768 111 P CB 0.565 31.759 31.700 -0.843 0.000 0.838 112 P HA 0.241 nan 4.420 nan 0.000 0.266 112 P C -0.464 176.696 177.300 -0.233 0.000 1.561 112 P CA -0.283 62.582 63.100 -0.391 0.000 1.089 112 P CB 0.077 31.522 31.700 -0.425 0.000 1.534 113 F N 1.178 121.222 119.950 0.157 0.000 2.380 113 F HA 0.296 4.831 4.527 0.013 0.000 0.325 113 F C 1.379 177.347 175.800 0.281 0.000 1.136 113 F CA -0.631 57.479 58.000 0.184 0.000 1.171 113 F CB 0.550 39.611 39.000 0.102 0.000 1.230 113 F HN -0.206 nan 8.300 nan 0.000 0.554 114 V N -1.013 119.181 119.914 0.467 0.000 3.113 114 V HA 0.725 4.853 4.120 0.013 0.000 0.316 114 V C -2.754 173.499 176.094 0.265 0.000 1.125 114 V CA -2.864 59.632 62.300 0.327 0.000 1.026 114 V CB 1.358 33.433 31.823 0.419 0.000 1.080 114 V HN 0.494 nan 8.190 nan 0.000 0.444 115 P HA 0.202 nan 4.420 nan 0.000 0.267 115 P C 0.991 178.428 177.300 0.227 0.000 1.200 115 P CA 0.472 63.660 63.100 0.147 0.000 0.772 115 P CB 0.539 32.300 31.700 0.102 0.000 0.855 116 T N -1.792 112.867 114.554 0.174 0.000 2.951 116 T HA -0.057 4.301 4.350 0.013 0.000 0.268 116 T C 0.451 175.258 174.700 0.179 0.000 1.073 116 T CA 0.719 62.930 62.100 0.184 0.000 1.134 116 T CB -0.462 68.483 68.868 0.128 0.000 0.884 116 T HN 0.392 nan 8.240 nan 0.000 0.479 117 E N 2.540 122.847 120.200 0.177 0.000 1.996 117 E HA 0.314 4.672 4.350 0.013 0.000 0.280 117 E C -0.739 176.022 176.600 0.268 0.000 1.092 117 E CA -0.417 56.094 56.400 0.186 0.000 0.862 117 E CB 0.274 30.088 29.700 0.190 0.000 1.066 117 E HN 0.198 nan 8.360 nan 0.000 0.396 118 N N 4.540 123.369 118.700 0.214 0.000 2.576 118 N HA 0.242 4.989 4.740 0.013 0.000 0.269 118 N C -2.898 172.640 175.510 0.047 0.000 1.058 118 N CA -2.469 50.745 53.050 0.273 0.000 0.860 118 N CB 1.232 39.871 38.487 0.255 0.000 1.249 118 N HN 0.059 nan 8.380 nan 0.000 0.525 119 P HA 0.029 nan 4.420 nan 0.000 0.261 119 P C -0.844 176.357 177.300 -0.166 0.000 1.173 119 P CA 0.543 63.572 63.100 -0.118 0.000 0.760 119 P CB 0.480 32.428 31.700 0.414 0.000 0.783 120 T N 2.767 116.955 114.554 -0.610 0.000 2.812 120 T HA 0.549 4.907 4.350 0.013 0.000 0.282 120 T C 0.196 174.408 174.700 -0.814 0.000 0.990 120 T CA -0.568 61.245 62.100 -0.478 0.000 0.960 120 T CB 1.506 70.134 68.868 -0.400 0.000 0.948 120 T HN 0.328 nan 8.240 nan 0.000 0.438 121 G N 1.176 109.572 108.800 -0.674 0.000 2.377 121 G HA2 0.460 4.427 3.960 0.013 0.000 0.316 121 G HA3 0.460 4.427 3.960 0.013 0.000 0.316 121 G C -0.152 174.532 174.900 -0.360 0.000 1.115 121 G CA -0.357 44.241 45.100 -0.837 0.000 0.952 121 G HN 0.871 nan 8.290 nan 0.000 0.441 122 C N 3.540 122.396 119.300 -0.740 0.000 2.200 122 C HA 0.422 4.890 4.460 0.013 0.000 0.328 122 C C -0.380 174.598 174.990 -0.021 0.000 1.148 122 C CA -0.900 57.828 59.018 -0.484 0.000 1.624 122 C CB -1.941 25.089 27.740 -1.184 0.000 2.167 122 C HN 0.625 nan 8.230 nan 0.000 0.484 123 Y N 1.975 122.561 120.300 0.477 0.000 2.387 123 Y HA 0.625 5.182 4.550 0.013 0.000 0.330 123 Y C 0.844 177.181 175.900 0.729 0.000 1.133 123 Y CA -0.043 58.443 58.100 0.642 0.000 1.152 123 Y CB 1.473 40.317 38.460 0.640 0.000 1.215 123 Y HN 0.670 nan 8.280 nan 0.000 0.466 124 S N 2.157 118.329 115.700 0.787 0.000 2.596 124 S HA 0.824 5.302 4.470 0.013 0.000 0.270 124 S C -1.925 172.753 174.600 0.130 0.000 1.155 124 S CA -0.841 57.600 58.200 0.402 0.000 0.827 124 S CB 2.207 65.536 63.200 0.216 0.000 1.130 124 S HN 0.617 nan 8.310 nan 0.000 0.467 125 L N 0.621 121.740 121.223 -0.173 0.000 2.526 125 L HA 0.697 5.045 4.340 0.013 0.000 0.263 125 L C -1.177 175.643 176.870 -0.082 0.000 0.943 125 L CA 0.125 54.721 54.840 -0.407 0.000 0.859 125 L CB 2.244 43.523 42.059 -1.300 0.000 1.313 125 L HN 0.904 nan 8.230 nan 0.000 0.406 126 T N 5.436 119.971 114.554 -0.032 0.000 2.767 126 T HA 0.761 5.119 4.350 0.013 0.000 0.284 126 T C -0.860 173.887 174.700 0.078 0.000 0.973 126 T CA 0.032 62.144 62.100 0.020 0.000 0.996 126 T CB 0.339 69.184 68.868 -0.038 0.000 0.927 126 T HN 0.452 nan 8.240 nan 0.000 0.456 127 F N 0.943 120.798 119.950 -0.158 0.000 2.685 127 F HA 0.740 5.275 4.527 0.013 0.000 0.315 127 F C -0.910 174.814 175.800 -0.127 0.000 1.126 127 F CA -1.776 56.132 58.000 -0.155 0.000 0.950 127 F CB 1.074 39.960 39.000 -0.191 0.000 1.360 127 F HN 0.352 nan 8.300 nan 0.000 0.469 128 N N 0.059 118.679 118.700 -0.134 0.000 2.487 128 N HA 0.669 5.417 4.740 0.013 0.000 0.292 128 N C -1.926 173.451 175.510 -0.223 0.000 1.108 128 N CA -0.441 52.471 53.050 -0.230 0.000 0.956 128 N CB 1.846 40.253 38.487 -0.133 0.000 1.176 128 N HN 0.637 nan 8.380 nan 0.000 0.484 129 V N 2.329 122.085 119.914 -0.265 0.000 2.531 129 V HA 0.298 4.426 4.120 0.013 0.000 0.301 129 V C -0.772 175.203 176.094 -0.199 0.000 1.034 129 V CA -0.971 61.184 62.300 -0.241 0.000 0.865 129 V CB 1.614 33.360 31.823 -0.128 0.000 0.995 129 V HN 0.705 nan 8.190 nan 0.000 0.424 130 D N 2.632 122.866 120.400 -0.277 0.000 2.341 130 D HA 0.128 4.776 4.640 0.013 0.000 0.245 130 D C 1.044 177.354 176.300 0.017 0.000 1.106 130 D CA -0.088 53.839 54.000 -0.122 0.000 0.905 130 D CB 1.658 42.395 40.800 -0.105 0.000 1.202 130 D HN 0.719 nan 8.370 nan 0.000 0.426 131 E N 0.695 120.912 120.200 0.030 0.000 2.130 131 E HA -0.227 4.130 4.350 0.013 0.000 0.196 131 E C 1.706 178.378 176.600 0.119 0.000 0.998 131 E CA 1.708 58.146 56.400 0.064 0.000 0.806 131 E CB 0.135 29.858 29.700 0.037 0.000 0.738 131 E HN 0.466 nan 8.360 nan 0.000 0.459 132 S N -0.760 115.022 115.700 0.135 0.000 2.419 132 S HA -0.181 4.297 4.470 0.013 0.000 0.235 132 S C 1.517 176.212 174.600 0.158 0.000 1.019 132 S CA 0.948 59.228 58.200 0.134 0.000 0.982 132 S CB -0.583 62.692 63.200 0.125 0.000 0.789 132 S HN 0.403 nan 8.310 nan 0.000 0.490 133 W N 1.528 122.787 121.300 -0.069 0.000 2.584 133 W HA 0.391 5.058 4.660 0.013 0.000 0.264 133 W C 1.771 178.383 176.519 0.155 0.000 1.264 133 W CA -0.192 57.127 57.345 -0.043 0.000 1.306 133 W CB -0.429 29.078 29.460 0.079 0.000 1.110 133 W HN 0.309 nan 8.180 nan 0.000 0.606 134 L N -0.094 121.312 121.223 0.304 0.000 2.585 134 L HA 0.046 4.394 4.340 0.013 0.000 0.226 134 L C 2.084 179.041 176.870 0.145 0.000 1.113 134 L CA 0.336 55.306 54.840 0.218 0.000 0.876 134 L CB -0.424 41.731 42.059 0.161 0.000 1.072 134 L HN -0.129 nan 8.230 nan 0.000 0.468 135 Q N 1.086 120.960 119.800 0.123 0.000 2.389 135 Q HA 0.032 4.380 4.340 0.013 0.000 0.204 135 Q C 0.211 176.259 176.000 0.079 0.000 0.944 135 Q CA 0.555 56.406 55.803 0.080 0.000 0.908 135 Q CB 0.469 29.241 28.738 0.057 0.000 1.002 135 Q HN 0.667 nan 8.270 nan 0.000 0.493 136 E N -2.043 118.227 120.200 0.117 0.000 2.416 136 E HA 0.498 4.856 4.350 0.013 0.000 0.280 136 E C -0.170 176.541 176.600 0.186 0.000 1.055 136 E CA -0.418 56.048 56.400 0.110 0.000 0.825 136 E CB 1.177 30.923 29.700 0.078 0.000 1.312 136 E HN 0.030 nan 8.360 nan 0.000 0.452 137 G N 0.866 109.708 108.800 0.069 0.000 2.697 137 G HA2 -0.285 3.682 3.960 0.013 0.000 0.240 137 G HA3 -0.285 3.682 3.960 0.013 0.000 0.240 137 G C -0.706 174.087 174.900 -0.178 0.000 1.346 137 G CA 0.207 45.258 45.100 -0.082 0.000 0.887 137 G HN 0.773 nan 8.290 nan 0.000 0.569 138 Q N -0.591 118.949 119.800 -0.434 0.000 2.340 138 Q HA 0.634 4.982 4.340 0.013 0.000 0.268 138 Q C -0.953 174.851 176.000 -0.327 0.000 1.031 138 Q CA -0.486 55.164 55.803 -0.255 0.000 0.804 138 Q CB 1.543 30.176 28.738 -0.176 0.000 1.286 138 Q HN 0.608 nan 8.270 nan 0.000 0.448 139 T N 4.867 119.402 114.554 -0.031 0.000 2.770 139 T HA 0.475 4.832 4.350 0.013 0.000 0.283 139 T C -0.648 174.151 174.700 0.165 0.000 0.988 139 T CA -0.635 61.543 62.100 0.130 0.000 0.957 139 T CB 0.577 69.677 68.868 0.387 0.000 0.930 139 T HN 0.644 nan 8.240 nan 0.000 0.443 140 R N 2.959 123.546 120.500 0.145 0.000 2.832 140 R HA 0.794 5.142 4.340 0.013 0.000 0.271 140 R C -1.064 175.333 176.300 0.161 0.000 0.996 140 R CA -0.974 55.218 56.100 0.152 0.000 0.977 140 R CB 1.511 31.875 30.300 0.107 0.000 1.168 140 R HN 0.567 nan 8.270 nan 0.000 0.482 141 I N 2.087 122.756 120.570 0.165 0.000 2.562 141 I HA 0.467 4.645 4.170 0.013 0.000 0.301 141 I C -1.109 175.053 176.117 0.075 0.000 1.003 141 I CA -1.348 59.999 61.300 0.078 0.000 1.127 141 I CB 1.501 39.540 38.000 0.066 0.000 1.304 141 I HN 0.625 nan 8.210 nan 0.000 0.446 142 I N 6.826 127.340 120.570 -0.093 0.000 2.447 142 I HA 0.302 4.480 4.170 0.013 0.000 0.287 142 I C -1.353 174.609 176.117 -0.258 0.000 1.023 142 I CA -0.377 60.885 61.300 -0.063 0.000 1.083 142 I CB 1.631 39.605 38.000 -0.043 0.000 1.245 142 I HN 0.379 nan 8.210 nan 0.000 0.434 143 F N 4.427 124.368 119.950 -0.015 0.000 2.332 143 F HA 0.282 4.816 4.527 0.012 0.000 0.368 143 F C 1.258 176.948 175.800 -0.184 0.000 1.110 143 F CA -0.453 57.464 58.000 -0.139 0.000 1.087 143 F CB 0.934 39.808 39.000 -0.210 0.000 1.235 143 F HN 0.453 nan 8.300 nan 0.000 0.470 144 D N 2.335 122.651 120.400 -0.139 0.000 2.264 144 D HA 0.059 4.706 4.640 0.013 0.000 0.208 144 D C 0.952 177.088 176.300 -0.273 0.000 0.966 144 D CA 0.872 54.748 54.000 -0.206 0.000 0.864 144 D CB 0.422 41.043 40.800 -0.300 0.000 0.933 144 D HN 0.624 nan 8.370 nan 0.000 0.499 145 G N -0.393 108.181 108.800 -0.376 0.000 2.552 145 G HA2 0.441 4.409 3.960 0.013 0.000 0.288 145 G HA3 0.441 4.409 3.960 0.013 0.000 0.288 145 G C -1.459 173.185 174.900 -0.427 0.000 1.358 145 G CA -0.391 44.365 45.100 -0.573 0.000 1.305 145 G HN -0.061 nan 8.290 nan 0.000 0.602 146 V N 2.670 122.539 119.914 -0.074 0.000 2.525 146 V HA 0.530 4.658 4.120 0.013 0.000 0.299 146 V C -0.869 175.312 176.094 0.144 0.000 1.034 146 V CA -1.156 61.096 62.300 -0.080 0.000 0.863 146 V CB 1.932 33.420 31.823 -0.558 0.000 0.999 146 V HN 0.698 nan 8.190 nan 0.000 0.423 147 N N 2.523 121.303 118.700 0.133 0.000 2.443 147 N HA 0.332 5.080 4.740 0.013 0.000 0.269 147 N C 0.567 176.017 175.510 -0.100 0.000 0.985 147 N CA 0.132 53.171 53.050 -0.018 0.000 0.921 147 N CB 2.246 40.561 38.487 -0.287 0.000 1.195 147 N HN 0.666 nan 8.380 nan 0.000 0.492 148 S N 1.871 117.549 115.700 -0.037 0.000 2.526 148 S HA 0.585 5.062 4.470 0.013 0.000 0.220 148 S C 0.293 174.959 174.600 0.110 0.000 1.017 148 S CA 0.050 58.278 58.200 0.047 0.000 0.930 148 S CB 0.359 63.604 63.200 0.075 0.000 0.856 148 S HN 0.676 nan 8.310 nan 0.000 0.497 149 A N 0.890 123.787 122.820 0.128 0.000 2.605 149 A HA 0.718 5.046 4.320 0.013 0.000 0.294 149 A C -1.414 176.256 177.584 0.144 0.000 1.062 149 A CA -0.918 51.151 52.037 0.053 0.000 0.682 149 A CB 0.807 19.880 19.000 0.122 0.000 1.278 149 A HN 1.040 nan 8.150 nan 0.000 0.410 150 F N -0.332 119.410 119.950 -0.346 0.000 2.678 150 F HA 0.752 5.287 4.527 0.013 0.000 0.308 150 F C -1.056 174.612 175.800 -0.220 0.000 1.118 150 F CA -0.764 57.135 58.000 -0.170 0.000 0.959 150 F CB 1.067 39.961 39.000 -0.176 0.000 1.305 150 F HN 0.618 nan 8.300 nan 0.000 0.443 151 H N 2.152 121.357 119.070 0.225 0.000 2.472 151 H HA 0.708 5.272 4.556 0.013 0.000 0.338 151 H C -1.355 173.908 175.328 -0.108 0.000 1.133 151 H CA -0.697 55.349 56.048 -0.003 0.000 1.216 151 H CB 2.502 32.261 29.762 -0.005 0.000 1.497 151 H HN 0.816 nan 8.280 nan 0.000 0.500 152 L N 3.137 124.107 121.223 -0.422 0.000 2.385 152 L HA 0.398 4.746 4.340 0.013 0.000 0.273 152 L C -1.561 174.998 176.870 -0.519 0.000 0.990 152 L CA -0.474 54.179 54.840 -0.312 0.000 0.821 152 L CB 1.397 43.152 42.059 -0.506 0.000 1.279 152 L HN 0.510 nan 8.230 nan 0.000 0.412 153 W N 4.333 125.576 121.300 -0.094 0.000 2.761 153 W HA 0.590 5.257 4.660 0.013 0.000 0.340 153 W C -1.093 175.351 176.519 -0.125 0.000 1.072 153 W CA -0.852 56.430 57.345 -0.105 0.000 1.215 153 W CB 2.065 31.504 29.460 -0.036 0.000 1.420 153 W HN 0.586 nan 8.180 nan 0.000 0.519 154 C N 4.552 123.913 119.300 0.102 0.000 2.364 154 C HA 0.294 4.762 4.460 0.013 0.000 0.324 154 C C 0.292 175.398 174.990 0.194 0.000 1.234 154 C CA -0.351 58.732 59.018 0.108 0.000 1.417 154 C CB -0.570 27.166 27.740 -0.005 0.000 2.101 154 C HN 0.803 nan 8.230 nan 0.000 0.466 155 N N 3.552 122.327 118.700 0.125 0.000 2.727 155 N HA -0.190 4.558 4.740 0.013 0.000 0.249 155 N C 0.968 176.542 175.510 0.106 0.000 1.048 155 N CA 2.045 55.147 53.050 0.086 0.000 0.714 155 N CB -1.277 37.272 38.487 0.104 0.000 0.959 155 N HN 1.810 nan 8.380 nan 0.000 0.544 156 G N -1.324 107.531 108.800 0.091 0.000 2.179 156 G HA2 -0.365 3.602 3.960 0.013 0.000 0.260 156 G HA3 -0.365 3.602 3.960 0.013 0.000 0.260 156 G C 0.125 175.187 174.900 0.270 0.000 0.977 156 G CA 0.650 45.799 45.100 0.082 0.000 0.641 156 G HN 0.565 nan 8.290 nan 0.000 0.533 157 R N -1.091 119.640 120.500 0.385 0.000 2.460 157 R HA 0.447 4.795 4.340 0.013 0.000 0.303 157 R C -0.314 176.311 176.300 0.542 0.000 0.968 157 R CA -0.899 55.503 56.100 0.503 0.000 0.889 157 R CB 1.209 31.823 30.300 0.524 0.000 1.123 157 R HN 0.197 nan 8.270 nan 0.000 0.455 158 W N 3.461 124.923 121.300 0.270 0.000 2.251 158 W HA 0.090 4.758 4.660 0.013 0.000 0.327 158 W C 0.049 176.471 176.519 -0.161 0.000 1.361 158 W CA 0.083 57.278 57.345 -0.250 0.000 1.234 158 W CB 0.699 29.995 29.460 -0.274 0.000 1.212 158 W HN 0.329 nan 8.180 nan 0.000 0.557 159 V N 5.252 124.419 119.914 -1.246 0.000 2.743 159 V HA 0.542 4.669 4.120 0.013 0.000 0.237 159 V C 1.048 176.119 176.094 -1.704 0.000 1.113 159 V CA 1.037 62.565 62.300 -1.285 0.000 1.141 159 V CB -0.276 30.823 31.823 -1.206 0.000 0.873 159 V HN 0.837 nan 8.190 nan 0.000 0.486 160 G N -1.724 105.837 108.800 -2.066 0.000 2.341 160 G HA2 0.439 4.407 3.960 0.013 0.000 0.299 160 G HA3 0.439 4.407 3.960 0.013 0.000 0.299 160 G C -2.408 172.026 174.900 -0.777 0.000 1.274 160 G CA -0.210 44.045 45.100 -1.409 0.000 0.853 160 G HN 0.018 nan 8.290 nan 0.000 0.493 161 Y N -0.484 119.538 120.300 -0.463 0.000 2.571 161 Y HA 0.700 5.258 4.550 0.013 0.000 0.341 161 Y C -0.055 175.591 175.900 -0.423 0.000 1.076 161 Y CA 0.024 57.797 58.100 -0.545 0.000 1.029 161 Y CB 2.209 40.494 38.460 -0.292 0.000 1.308 161 Y HN 1.256 nan 8.280 nan 0.000 0.461 162 G N 3.490 111.427 108.800 -1.438 0.000 2.690 162 G HA2 0.595 4.562 3.960 0.013 0.000 0.293 162 G HA3 0.595 4.562 3.960 0.013 0.000 0.293 162 G C -2.107 172.332 174.900 -0.769 0.000 1.399 162 G CA -0.852 43.738 45.100 -0.849 0.000 0.890 162 G HN 0.623 nan 8.290 nan 0.000 0.485 163 Q N -0.441 119.177 119.800 -0.302 0.000 2.668 163 Q HA 0.575 4.922 4.340 0.013 0.000 0.298 163 Q C -1.453 174.558 176.000 0.018 0.000 1.071 163 Q CA -0.821 54.926 55.803 -0.094 0.000 0.789 163 Q CB 2.693 31.426 28.738 -0.008 0.000 1.497 163 Q HN 0.654 nan 8.270 nan 0.000 0.460 164 D N -0.196 120.249 120.400 0.075 0.000 4.303 164 D HA -0.095 4.552 4.640 0.013 0.000 0.230 164 D C -0.509 175.861 176.300 0.116 0.000 1.172 164 D CA 0.476 54.533 54.000 0.096 0.000 1.001 164 D CB -0.616 40.224 40.800 0.067 0.000 0.641 164 D HN 0.530 nan 8.370 nan 0.000 0.296 165 S N 3.140 118.922 115.700 0.136 0.000 2.547 165 S HA -0.071 4.406 4.470 0.013 0.000 0.235 165 S C 1.564 176.303 174.600 0.231 0.000 0.980 165 S CA 0.581 58.891 58.200 0.182 0.000 0.941 165 S CB 0.253 63.519 63.200 0.111 0.000 0.763 165 S HN 0.448 nan 8.310 nan 0.000 0.532 166 R N 0.006 120.603 120.500 0.163 0.000 2.535 166 R HA 0.440 4.788 4.340 0.013 0.000 0.323 166 R C -0.355 176.010 176.300 0.108 0.000 0.979 166 R CA 0.055 56.253 56.100 0.163 0.000 1.120 166 R CB 0.208 30.628 30.300 0.199 0.000 1.306 166 R HN 0.321 nan 8.270 nan 0.000 0.540 167 L N 1.383 122.640 121.223 0.057 0.000 2.350 167 L HA 0.531 4.879 4.340 0.013 0.000 0.260 167 L C -2.360 174.492 176.870 -0.030 0.000 1.015 167 L CA -2.265 52.578 54.840 0.004 0.000 0.821 167 L CB 2.967 45.022 42.059 -0.007 0.000 1.370 167 L HN -0.198 nan 8.230 nan 0.000 0.416 168 P HA 0.124 nan 4.420 nan 0.000 0.275 168 P C -1.065 176.202 177.300 -0.054 0.000 1.227 168 P CA -0.253 62.804 63.100 -0.072 0.000 0.781 168 P CB 1.256 32.876 31.700 -0.133 0.000 0.906 169 S N 1.784 117.512 115.700 0.047 0.000 2.478 169 S HA 0.327 4.805 4.470 0.013 0.000 0.312 169 S C -0.451 174.113 174.600 -0.060 0.000 1.094 169 S CA -0.595 57.597 58.200 -0.014 0.000 1.081 169 S CB 0.931 64.305 63.200 0.290 0.000 1.007 169 S HN 0.375 nan 8.310 nan 0.000 0.475 170 E N 1.981 121.941 120.200 -0.400 0.000 2.238 170 E HA 0.568 4.925 4.350 0.013 0.000 0.267 170 E C -1.477 174.752 176.600 -0.618 0.000 0.887 170 E CA -0.592 55.653 56.400 -0.259 0.000 0.769 170 E CB 1.764 31.411 29.700 -0.088 0.000 1.187 170 E HN 0.395 nan 8.360 nan 0.000 0.416 171 F N 0.690 120.694 119.950 0.090 0.000 2.578 171 F HA 0.194 4.729 4.527 0.013 0.000 0.311 171 F C -0.015 175.810 175.800 0.040 0.000 1.094 171 F CA -1.057 56.958 58.000 0.026 0.000 0.923 171 F CB 1.655 40.638 39.000 -0.028 0.000 1.230 171 F HN 0.284 nan 8.300 nan 0.000 0.450 172 D N 3.033 123.562 120.400 0.216 0.000 2.317 172 D HA 0.239 4.887 4.640 0.013 0.000 0.252 172 D C 0.300 176.744 176.300 0.241 0.000 1.174 172 D CA 0.250 54.361 54.000 0.185 0.000 0.866 172 D CB 1.047 41.937 40.800 0.149 0.000 1.127 172 D HN 0.577 nan 8.370 nan 0.000 0.467 173 L N 2.771 124.140 121.223 0.243 0.000 2.667 173 L HA 0.043 4.390 4.340 0.013 0.000 0.232 173 L C 2.116 179.216 176.870 0.383 0.000 1.138 173 L CA -0.191 54.841 54.840 0.320 0.000 0.921 173 L CB 0.079 42.286 42.059 0.248 0.000 1.180 173 L HN 0.270 nan 8.230 nan 0.000 0.487 174 S N 1.445 117.309 115.700 0.274 0.000 2.372 174 S HA -0.274 4.204 4.470 0.013 0.000 0.227 174 S C 2.023 176.727 174.600 0.173 0.000 1.044 174 S CA 1.861 60.181 58.200 0.198 0.000 1.050 174 S CB -0.172 63.102 63.200 0.123 0.000 0.901 174 S HN 0.561 nan 8.310 nan 0.000 0.447 175 A N -0.672 122.235 122.820 0.146 0.000 2.238 175 A HA 0.329 4.657 4.320 0.013 0.000 0.208 175 A C 1.250 178.748 177.584 -0.144 0.000 1.177 175 A CA 0.332 52.344 52.037 -0.042 0.000 0.804 175 A CB -0.445 18.435 19.000 -0.200 0.000 0.823 175 A HN 0.484 nan 8.150 nan 0.000 0.482 176 F N -0.927 119.066 119.950 0.072 0.000 2.727 176 F HA 0.372 4.907 4.527 0.013 0.000 0.302 176 F C 0.645 176.483 175.800 0.063 0.000 1.107 176 F CA -0.127 57.914 58.000 0.069 0.000 1.277 176 F CB 0.195 39.242 39.000 0.080 0.000 1.079 176 F HN -0.025 nan 8.300 nan 0.000 0.594 177 L N 0.976 122.348 121.223 0.250 0.000 2.416 177 L HA 0.555 4.902 4.340 0.013 0.000 0.262 177 L C 0.041 176.956 176.870 0.075 0.000 1.093 177 L CA -0.789 54.141 54.840 0.151 0.000 0.801 177 L CB 1.259 43.419 42.059 0.167 0.000 1.191 177 L HN 0.009 nan 8.230 nan 0.000 0.459 178 R N 0.831 121.337 120.500 0.010 0.000 2.808 178 R HA 0.811 5.159 4.340 0.013 0.000 0.272 178 R C -1.081 175.199 176.300 -0.034 0.000 0.995 178 R CA -0.954 55.144 56.100 -0.003 0.000 0.917 178 R CB 1.462 31.753 30.300 -0.016 0.000 1.217 178 R HN 0.543 nan 8.270 nan 0.000 0.471 179 A N 1.121 123.929 122.820 -0.020 0.000 2.498 179 A HA 0.485 4.813 4.320 0.013 0.000 0.239 179 A C 1.109 178.647 177.584 -0.076 0.000 1.068 179 A CA 1.058 53.073 52.037 -0.038 0.000 0.766 179 A CB -0.722 18.269 19.000 -0.016 0.000 1.003 179 A HN 1.356 nan 8.150 nan 0.000 0.497 180 G N 1.446 110.183 108.800 -0.105 0.000 2.520 180 G HA2 -0.178 3.790 3.960 0.013 0.000 0.248 180 G HA3 -0.178 3.790 3.960 0.013 0.000 0.248 180 G C -0.140 174.639 174.900 -0.201 0.000 1.161 180 G CA 0.202 45.226 45.100 -0.127 0.000 0.946 180 G HN 1.006 nan 8.290 nan 0.000 0.565 181 E N 1.767 121.855 120.200 -0.187 0.000 2.338 181 E HA 0.419 4.776 4.350 0.013 0.000 0.272 181 E C -0.053 176.360 176.600 -0.312 0.000 1.029 181 E CA -0.074 56.178 56.400 -0.246 0.000 0.872 181 E CB 0.492 30.096 29.700 -0.159 0.000 1.015 181 E HN 0.421 nan 8.360 nan 0.000 0.417 182 N N 2.236 120.619 118.700 -0.528 0.000 2.357 182 N HA 0.365 5.113 4.740 0.013 0.000 0.284 182 N C -1.104 174.167 175.510 -0.399 0.000 1.236 182 N CA -0.721 52.017 53.050 -0.521 0.000 0.774 182 N CB 2.481 40.472 38.487 -0.828 0.000 1.534 182 N HN 0.296 nan 8.380 nan 0.000 0.478 183 R N 1.596 122.031 120.500 -0.107 0.000 2.513 183 R HA 0.500 4.848 4.340 0.013 0.000 0.301 183 R C -1.203 175.184 176.300 0.144 0.000 0.968 183 R CA -0.493 55.628 56.100 0.035 0.000 0.872 183 R CB 1.002 31.276 30.300 -0.043 0.000 1.177 183 R HN 0.477 nan 8.270 nan 0.000 0.444 184 L N 3.034 124.383 121.223 0.208 0.000 2.343 184 L HA 0.762 5.110 4.340 0.013 0.000 0.275 184 L C -0.192 176.720 176.870 0.069 0.000 1.056 184 L CA -0.945 53.993 54.840 0.163 0.000 0.804 184 L CB 1.857 43.994 42.059 0.130 0.000 1.203 184 L HN 0.771 nan 8.230 nan 0.000 0.440 185 A N 2.613 125.480 122.820 0.079 0.000 2.381 185 A HA 0.757 5.085 4.320 0.013 0.000 0.299 185 A C -1.112 176.702 177.584 0.383 0.000 1.049 185 A CA -0.445 51.536 52.037 -0.093 0.000 0.715 185 A CB 1.619 20.069 19.000 -0.917 0.000 1.222 185 A HN 0.368 nan 8.150 nan 0.000 0.428 186 V N 3.177 123.502 119.914 0.685 0.000 2.531 186 V HA 0.518 4.646 4.120 0.013 0.000 0.301 186 V C -0.170 176.444 176.094 0.868 0.000 1.034 186 V CA -0.320 62.387 62.300 0.678 0.000 0.865 186 V CB 1.688 33.743 31.823 0.385 0.000 0.995 186 V HN 0.966 nan 8.190 nan 0.000 0.424 187 M N 5.765 125.890 119.600 0.875 0.000 2.066 187 M HA 0.583 5.071 4.480 0.013 0.000 0.340 187 M C -1.515 175.053 176.300 0.446 0.000 1.053 187 M CA -0.422 55.253 55.300 0.625 0.000 0.983 187 M CB 1.200 34.217 32.600 0.695 0.000 1.520 187 M HN 0.484 nan 8.290 nan 0.000 0.428 188 V N 6.823 126.955 119.914 0.363 0.000 2.370 188 V HA 0.379 4.506 4.120 0.013 0.000 0.279 188 V C -0.150 176.113 176.094 0.280 0.000 1.029 188 V CA -0.639 61.878 62.300 0.362 0.000 0.870 188 V CB 1.356 33.487 31.823 0.514 0.000 0.984 188 V HN 0.798 nan 8.190 nan 0.000 0.451 189 L N 5.049 126.369 121.223 0.161 0.000 2.292 189 L HA 0.505 4.852 4.340 0.013 0.000 0.284 189 L C 1.569 178.458 176.870 0.032 0.000 1.065 189 L CA -0.305 54.554 54.840 0.031 0.000 0.806 189 L CB 1.075 43.066 42.059 -0.114 0.000 1.175 189 L HN 0.630 nan 8.230 nan 0.000 0.431 190 R N 2.863 123.329 120.500 -0.057 0.000 2.075 190 R HA -0.050 4.298 4.340 0.013 0.000 0.232 190 R C -0.343 175.611 176.300 -0.577 0.000 1.126 190 R CA 1.171 56.991 56.100 -0.467 0.000 0.963 190 R CB 0.208 30.082 30.300 -0.711 0.000 0.858 190 R HN 0.568 nan 8.270 nan 0.000 0.435 191 W N 0.325 121.691 121.300 0.110 0.000 2.606 191 W HA 0.425 5.092 4.660 0.012 0.000 0.332 191 W C -0.300 176.339 176.519 0.200 0.000 1.052 191 W CA -0.794 56.626 57.345 0.124 0.000 1.223 191 W CB 1.763 31.299 29.460 0.126 0.000 1.383 191 W HN 0.025 nan 8.180 nan 0.000 0.524 192 S N -0.999 114.997 115.700 0.493 0.000 2.672 192 S HA 0.205 4.683 4.470 0.013 0.000 0.271 192 S C 0.077 174.949 174.600 0.452 0.000 1.171 192 S CA -0.448 58.055 58.200 0.506 0.000 0.817 192 S CB 1.132 64.597 63.200 0.443 0.000 1.150 192 S HN 0.621 nan 8.310 nan 0.000 0.478 193 D N 0.295 120.960 120.400 0.443 0.000 2.309 193 D HA 0.083 4.730 4.640 0.013 0.000 0.212 193 D C 1.739 178.360 176.300 0.535 0.000 0.968 193 D CA 1.112 55.419 54.000 0.512 0.000 0.882 193 D CB -0.668 40.298 40.800 0.276 0.000 0.918 193 D HN 0.700 nan 8.370 nan 0.000 0.503 194 G N 0.134 109.166 108.800 0.387 0.000 2.443 194 G HA2 -0.247 3.721 3.960 0.013 0.000 0.219 194 G HA3 -0.247 3.721 3.960 0.013 0.000 0.219 194 G C 1.681 176.777 174.900 0.325 0.000 1.131 194 G CA 0.656 45.957 45.100 0.336 0.000 0.775 194 G HN 0.309 nan 8.290 nan 0.000 0.547 195 S N 0.051 115.931 115.700 0.302 0.000 2.419 195 S HA -0.108 4.370 4.470 0.013 0.000 0.233 195 S C 1.891 176.591 174.600 0.167 0.000 1.016 195 S CA 0.754 59.097 58.200 0.239 0.000 0.974 195 S CB -0.387 62.964 63.200 0.251 0.000 0.786 195 S HN 0.531 nan 8.310 nan 0.000 0.492 196 Y N 1.189 121.621 120.300 0.219 0.000 2.421 196 Y HA 0.093 4.651 4.550 0.013 0.000 0.292 196 Y C 1.598 177.615 175.900 0.196 0.000 1.136 196 Y CA 0.613 58.762 58.100 0.081 0.000 1.255 196 Y CB -0.267 38.078 38.460 -0.193 0.000 0.991 196 Y HN 0.205 nan 8.280 nan 0.000 0.552 197 L N -0.266 121.160 121.223 0.339 0.000 2.700 197 L HA 0.141 4.489 4.340 0.013 0.000 0.234 197 L C 0.019 177.034 176.870 0.242 0.000 1.156 197 L CA 0.379 55.374 54.840 0.258 0.000 0.946 197 L CB 0.051 42.268 42.059 0.264 0.000 1.216 197 L HN 0.132 nan 8.230 nan 0.000 0.493 198 E N -0.092 120.263 120.200 0.258 0.000 3.846 198 E HA 0.042 4.400 4.350 0.013 0.000 0.216 198 E C -0.478 176.234 176.600 0.185 0.000 1.092 198 E CA -0.070 56.464 56.400 0.224 0.000 1.370 198 E CB 0.491 30.313 29.700 0.204 0.000 1.227 198 E HN 0.031 nan 8.360 nan 0.000 0.442 199 D N 1.112 121.579 120.400 0.112 0.000 2.706 199 D HA 0.033 4.680 4.640 0.013 0.000 0.236 199 D C -0.189 176.112 176.300 0.002 0.000 1.231 199 D CA -0.130 53.825 54.000 -0.075 0.000 0.828 199 D CB 0.161 40.661 40.800 -0.500 0.000 1.015 199 D HN 0.055 nan 8.370 nan 0.000 0.484 200 Q N 0.403 120.297 119.800 0.156 0.000 2.432 200 Q HA 0.109 4.457 4.340 0.013 0.000 0.264 200 Q C -0.113 176.013 176.000 0.210 0.000 1.035 200 Q CA 0.111 56.075 55.803 0.268 0.000 0.908 200 Q CB 0.588 29.636 28.738 0.517 0.000 1.280 200 Q HN 0.063 nan 8.270 nan 0.000 0.455 201 D N 2.850 123.404 120.400 0.258 0.000 2.441 201 D HA 0.164 4.812 4.640 0.013 0.000 0.243 201 D C -0.808 175.648 176.300 0.260 0.000 1.257 201 D CA 0.172 54.301 54.000 0.215 0.000 1.027 201 D CB -0.453 40.483 40.800 0.227 0.000 1.084 201 D HN 0.478 nan 8.370 nan 0.000 0.514 202 M N 0.234 119.948 119.600 0.191 0.000 2.949 202 M HA 0.399 4.886 4.480 0.013 0.000 0.270 202 M C -1.245 175.141 176.300 0.143 0.000 1.221 202 M CA -1.172 54.170 55.300 0.070 0.000 0.818 202 M CB 1.032 33.597 32.600 -0.057 0.000 1.635 202 M HN -0.102 nan 8.290 nan 0.000 0.492 203 W N 1.854 123.243 121.300 0.147 0.000 2.231 203 W HA 0.278 4.946 4.660 0.013 0.000 0.341 203 W C 0.301 176.846 176.519 0.043 0.000 1.298 203 W CA 0.007 57.430 57.345 0.130 0.000 1.266 203 W CB 0.316 29.794 29.460 0.031 0.000 1.172 203 W HN 0.292 nan 8.180 nan 0.000 0.568 204 R N 4.561 125.245 120.500 0.306 0.000 2.204 204 R HA 0.408 4.756 4.340 0.013 0.000 0.341 204 R C -0.118 176.195 176.300 0.021 0.000 1.035 204 R CA -0.213 55.985 56.100 0.164 0.000 0.887 204 R CB 0.199 30.666 30.300 0.279 0.000 1.114 204 R HN 0.552 nan 8.270 nan 0.000 0.473 205 M N 0.206 119.705 119.600 -0.168 0.000 2.792 205 M HA 0.522 5.010 4.480 0.013 0.000 0.290 205 M C -0.061 175.889 176.300 -0.582 0.000 1.155 205 M CA -0.827 54.254 55.300 -0.365 0.000 0.781 205 M CB 2.249 34.635 32.600 -0.357 0.000 1.741 205 M HN 0.615 nan 8.290 nan 0.000 0.473 206 S N -1.153 114.068 115.700 -0.799 0.000 2.587 206 S HA 0.945 5.423 4.470 0.013 0.000 0.269 206 S C -0.650 173.455 174.600 -0.824 0.000 1.154 206 S CA -0.187 57.465 58.200 -0.914 0.000 0.824 206 S CB 1.863 64.332 63.200 -1.220 0.000 1.118 206 S HN 1.430 nan 8.310 nan 0.000 0.462 207 G N 0.026 108.612 108.800 -0.356 0.000 2.331 207 G HA2 0.204 4.172 3.960 0.013 0.000 0.402 207 G HA3 0.204 4.172 3.960 0.013 0.000 0.402 207 G C -1.502 173.425 174.900 0.046 0.000 1.275 207 G CA -0.649 44.532 45.100 0.135 0.000 1.003 207 G HN 1.131 nan 8.290 nan 0.000 0.500 208 I N 2.047 122.486 120.570 -0.219 0.000 2.241 208 I HA 0.276 4.453 4.170 0.013 0.000 0.294 208 I C 1.056 177.033 176.117 -0.234 0.000 1.145 208 I CA -0.241 60.824 61.300 -0.391 0.000 1.261 208 I CB -0.133 37.371 38.000 -0.827 0.000 1.475 208 I HN 0.502 nan 8.210 nan 0.000 0.533 209 F N 4.260 124.060 119.950 -0.250 0.000 2.695 209 F HA 0.474 5.009 4.527 0.012 0.000 0.303 209 F C 0.635 176.353 175.800 -0.136 0.000 1.091 209 F CA -0.582 57.303 58.000 -0.191 0.000 1.300 209 F CB -0.018 38.874 39.000 -0.180 0.000 1.071 209 F HN 0.111 nan 8.300 nan 0.000 0.578 210 R N 0.342 120.366 120.500 -0.794 0.000 2.960 210 R HA 0.270 4.618 4.340 0.013 0.000 0.249 210 R C -0.692 175.384 176.300 -0.373 0.000 1.192 210 R CA -1.158 54.608 56.100 -0.556 0.000 1.035 210 R CB 0.620 30.517 30.300 -0.670 0.000 1.234 210 R HN -0.047 nan 8.270 nan 0.000 0.493 211 D N 0.652 120.877 120.400 -0.291 0.000 2.419 211 D HA 0.116 4.763 4.640 0.013 0.000 0.236 211 D C -0.513 175.635 176.300 -0.254 0.000 1.165 211 D CA 0.371 54.241 54.000 -0.216 0.000 0.882 211 D CB 0.771 41.478 40.800 -0.155 0.000 1.201 211 D HN -0.016 nan 8.370 nan 0.000 0.443 212 V N 1.027 120.804 119.914 -0.230 0.000 2.540 212 V HA 0.538 4.666 4.120 0.013 0.000 0.302 212 V C 0.056 176.020 176.094 -0.216 0.000 1.035 212 V CA -0.563 61.540 62.300 -0.329 0.000 0.873 212 V CB 1.646 33.282 31.823 -0.313 0.000 0.992 212 V HN 0.748 nan 8.190 nan 0.000 0.428 213 S N 4.541 120.099 115.700 -0.237 0.000 2.651 213 S HA 0.877 5.355 4.470 0.013 0.000 0.279 213 S C -1.433 173.116 174.600 -0.085 0.000 1.148 213 S CA -0.850 57.280 58.200 -0.117 0.000 0.837 213 S CB 2.176 65.342 63.200 -0.056 0.000 1.138 213 S HN 0.426 nan 8.310 nan 0.000 0.478 214 L N 1.385 122.622 121.223 0.023 0.000 2.341 214 L HA 0.770 5.118 4.340 0.013 0.000 0.278 214 L C -1.376 175.680 176.870 0.310 0.000 1.005 214 L CA -0.748 54.184 54.840 0.154 0.000 0.818 214 L CB 1.562 43.730 42.059 0.180 0.000 1.259 214 L HN 0.836 nan 8.230 nan 0.000 0.418 215 L N 4.288 125.669 121.223 0.264 0.000 2.381 215 L HA 0.485 4.832 4.340 0.013 0.000 0.274 215 L C -1.070 175.806 176.870 0.010 0.000 0.988 215 L CA -0.209 54.723 54.840 0.154 0.000 0.824 215 L CB 1.291 43.401 42.059 0.086 0.000 1.263 215 L HN 0.596 nan 8.230 nan 0.000 0.410 216 H N 5.320 124.159 119.070 -0.384 0.000 2.517 216 H HA 0.474 5.037 4.556 0.013 0.000 0.317 216 H C -1.185 173.929 175.328 -0.356 0.000 1.080 216 H CA -0.452 55.239 56.048 -0.594 0.000 1.301 216 H CB 1.085 29.993 29.762 -1.423 0.000 1.425 216 H HN 0.528 nan 8.280 nan 0.000 0.471 217 K N 5.202 125.241 120.400 -0.602 0.000 2.340 217 K HA 0.388 4.716 4.320 0.013 0.000 0.244 217 K C -2.661 173.717 176.600 -0.370 0.000 0.973 217 K CA -2.065 54.015 56.287 -0.344 0.000 0.828 217 K CB 2.005 34.357 32.500 -0.247 0.000 1.226 217 K HN 0.476 nan 8.250 nan 0.000 0.437 218 P HA 0.149 nan 4.420 nan 0.000 0.274 218 P C 0.520 177.752 177.300 -0.114 0.000 1.246 218 P CA -0.152 62.889 63.100 -0.098 0.000 0.795 218 P CB 0.443 32.117 31.700 -0.044 0.000 1.006 219 T N -0.930 113.581 114.554 -0.071 0.000 2.684 219 T HA -0.068 4.290 4.350 0.013 0.000 0.267 219 T C 0.603 175.267 174.700 -0.061 0.000 1.036 219 T CA 1.641 63.705 62.100 -0.060 0.000 1.148 219 T CB -0.691 68.160 68.868 -0.029 0.000 0.863 219 T HN 0.441 nan 8.240 nan 0.000 0.436 220 T N 3.778 118.303 114.554 -0.048 0.000 2.727 220 T HA 0.438 4.796 4.350 0.013 0.000 0.298 220 T C -0.191 174.468 174.700 -0.067 0.000 0.942 220 T CA -0.560 61.504 62.100 -0.060 0.000 0.997 220 T CB 0.515 69.365 68.868 -0.029 0.000 0.917 220 T HN 0.487 nan 8.240 nan 0.000 0.487 221 Q N 2.457 122.201 119.800 -0.093 0.000 2.511 221 Q HA 0.597 4.945 4.340 0.013 0.000 0.289 221 Q C -1.272 174.668 176.000 -0.101 0.000 1.021 221 Q CA -1.151 54.586 55.803 -0.109 0.000 0.785 221 Q CB 1.349 30.002 28.738 -0.142 0.000 1.472 221 Q HN 0.456 nan 8.270 nan 0.000 0.411 222 I N 2.620 123.104 120.570 -0.144 0.000 2.379 222 I HA 0.025 4.203 4.170 0.013 0.000 0.290 222 I C 0.757 176.798 176.117 -0.126 0.000 1.063 222 I CA 0.037 61.277 61.300 -0.101 0.000 1.351 222 I CB 1.096 38.991 38.000 -0.176 0.000 1.410 222 I HN 0.885 nan 8.210 nan 0.000 0.505 223 S N 2.715 118.451 115.700 0.060 0.000 2.511 223 S HA 0.200 4.677 4.470 0.013 0.000 0.214 223 S C 0.166 174.987 174.600 0.369 0.000 0.997 223 S CA -0.268 58.037 58.200 0.175 0.000 0.908 223 S CB 0.260 63.513 63.200 0.088 0.000 0.803 223 S HN 0.704 nan 8.310 nan 0.000 0.504 224 D N -0.233 120.385 120.400 0.363 0.000 2.683 224 D HA 0.528 5.175 4.640 0.013 0.000 0.246 224 D C -1.905 174.599 176.300 0.340 0.000 1.238 224 D CA -0.715 53.495 54.000 0.350 0.000 0.759 224 D CB 1.589 42.489 40.800 0.166 0.000 1.349 224 D HN 0.180 nan 8.370 nan 0.000 0.426 225 F N -0.666 119.378 119.950 0.158 0.000 2.650 225 F HA 0.607 5.142 4.527 0.013 0.000 0.310 225 F C -1.537 174.366 175.800 0.171 0.000 1.112 225 F CA -0.758 57.262 58.000 0.033 0.000 0.986 225 F CB 1.223 40.273 39.000 0.083 0.000 1.285 225 F HN 0.259 nan 8.300 nan 0.000 0.440 226 H N 1.692 120.841 119.070 0.131 0.000 2.589 226 H HA 0.735 5.298 4.556 0.013 0.000 0.351 226 H C -1.329 174.038 175.328 0.065 0.000 1.074 226 H CA -1.456 54.594 56.048 0.002 0.000 1.203 226 H CB 2.613 32.361 29.762 -0.023 0.000 1.558 226 H HN 0.614 nan 8.280 nan 0.000 0.522 227 V N 2.393 122.397 119.914 0.151 0.000 2.459 227 V HA 0.660 4.787 4.120 0.013 0.000 0.295 227 V C -0.123 175.963 176.094 -0.014 0.000 1.029 227 V CA -0.549 61.794 62.300 0.073 0.000 0.874 227 V CB 1.273 33.139 31.823 0.070 0.000 0.985 227 V HN 0.915 nan 8.190 nan 0.000 0.438 228 A N 3.324 126.112 122.820 -0.053 0.000 2.413 228 A HA 0.969 5.296 4.320 0.013 0.000 0.307 228 A C -0.159 177.315 177.584 -0.184 0.000 1.087 228 A CA -0.529 51.455 52.037 -0.089 0.000 0.750 228 A CB 2.027 20.998 19.000 -0.049 0.000 1.296 228 A HN 0.927 nan 8.150 nan 0.000 0.423 229 T N -0.383 114.042 114.554 -0.216 0.000 2.881 229 T HA 0.711 5.069 4.350 0.013 0.000 0.291 229 T C -0.557 173.902 174.700 -0.402 0.000 0.990 229 T CA -0.827 61.042 62.100 -0.384 0.000 0.976 229 T CB 0.966 69.495 68.868 -0.566 0.000 0.970 229 T HN 0.934 nan 8.240 nan 0.000 0.438 230 R N 1.918 122.102 120.500 -0.525 0.000 2.803 230 R HA 0.859 5.207 4.340 0.013 0.000 0.276 230 R C -1.520 174.362 176.300 -0.696 0.000 0.978 230 R CA -1.010 54.848 56.100 -0.403 0.000 0.939 230 R CB 1.380 31.591 30.300 -0.147 0.000 1.179 230 R HN 0.469 nan 8.270 nan 0.000 0.472 231 F N 0.293 120.218 119.950 -0.041 0.000 2.611 231 F HA 0.369 4.902 4.527 0.011 0.000 0.324 231 F C 0.337 175.998 175.800 -0.232 0.000 1.061 231 F CA -1.052 56.862 58.000 -0.143 0.000 0.954 231 F CB 1.387 40.183 39.000 -0.340 0.000 1.301 231 F HN 0.670 nan 8.300 nan 0.000 0.482 232 N N -0.077 118.600 118.700 -0.038 0.000 2.418 232 N HA 0.065 4.813 4.740 0.013 0.000 0.283 232 N C 0.420 175.787 175.510 -0.240 0.000 1.267 232 N CA -0.173 52.818 53.050 -0.100 0.000 0.975 232 N CB 0.061 38.520 38.487 -0.047 0.000 1.167 232 N HN 0.663 nan 8.380 nan 0.000 0.581 233 D N -1.463 118.850 120.400 -0.146 0.000 2.182 233 D HA -0.222 4.426 4.640 0.013 0.000 0.201 233 D C 0.265 176.493 176.300 -0.121 0.000 0.986 233 D CA 1.451 55.370 54.000 -0.136 0.000 0.847 233 D CB -0.520 40.258 40.800 -0.036 0.000 0.942 233 D HN 0.731 nan 8.370 nan 0.000 0.467 234 D N -1.451 118.920 120.400 -0.048 0.000 2.501 234 D HA 0.031 4.679 4.640 0.013 0.000 0.226 234 D C 0.048 176.507 176.300 0.266 0.000 1.198 234 D CA -1.030 53.052 54.000 0.138 0.000 0.830 234 D CB -1.056 39.818 40.800 0.123 0.000 1.014 234 D HN 0.182 nan 8.370 nan 0.000 0.496 235 F N 0.333 120.341 119.950 0.097 0.000 3.006 235 F HA -0.309 4.226 4.527 0.012 0.000 0.289 235 F C 1.770 177.652 175.800 0.136 0.000 0.772 235 F CA 0.870 58.937 58.000 0.112 0.000 1.162 235 F CB -2.450 36.509 39.000 -0.070 0.000 1.382 235 F HN 0.228 nan 8.300 nan 0.000 0.406 236 S N -1.015 114.798 115.700 0.188 0.000 2.496 236 S HA 0.212 4.689 4.470 0.013 0.000 0.224 236 S C 0.705 175.366 174.600 0.102 0.000 0.996 236 S CA 0.133 58.413 58.200 0.134 0.000 0.927 236 S CB 0.340 63.592 63.200 0.086 0.000 0.774 236 S HN 0.463 nan 8.310 nan 0.000 0.524 237 R N 0.123 120.687 120.500 0.106 0.000 2.725 237 R HA 0.816 5.164 4.340 0.013 0.000 0.277 237 R C -1.229 175.104 176.300 0.056 0.000 0.987 237 R CA -0.362 55.767 56.100 0.049 0.000 0.901 237 R CB 2.228 32.532 30.300 0.006 0.000 1.207 237 R HN 0.250 nan 8.270 nan 0.000 0.463 238 A N 1.435 124.236 122.820 -0.032 0.000 2.527 238 A HA 0.776 5.103 4.320 0.013 0.000 0.293 238 A C -1.355 176.154 177.584 -0.126 0.000 1.117 238 A CA -0.678 51.256 52.037 -0.171 0.000 0.723 238 A CB 2.095 21.002 19.000 -0.154 0.000 1.313 238 A HN 0.335 nan 8.150 nan 0.000 0.411 239 V N 1.161 120.968 119.914 -0.178 0.000 2.483 239 V HA 0.439 4.567 4.120 0.013 0.000 0.297 239 V C -0.668 175.355 176.094 -0.119 0.000 1.027 239 V CA -0.329 61.906 62.300 -0.108 0.000 0.855 239 V CB 1.418 33.178 31.823 -0.106 0.000 0.995 239 V HN 0.811 nan 8.190 nan 0.000 0.424 240 L N 5.040 126.232 121.223 -0.052 0.000 2.275 240 L HA 0.593 4.940 4.340 0.013 0.000 0.288 240 L C -0.082 176.740 176.870 -0.080 0.000 1.046 240 L CA 0.142 54.922 54.840 -0.099 0.000 0.805 240 L CB 0.852 42.886 42.059 -0.042 0.000 1.193 240 L HN 0.654 nan 8.230 nan 0.000 0.426 241 E N 4.825 124.974 120.200 -0.085 0.000 2.176 241 E HA 0.612 4.970 4.350 0.013 0.000 0.267 241 E C -1.120 175.465 176.600 -0.025 0.000 0.893 241 E CA -0.823 55.546 56.400 -0.052 0.000 0.761 241 E CB 2.036 31.708 29.700 -0.047 0.000 1.133 241 E HN 0.680 nan 8.360 nan 0.000 0.409 242 A N 3.513 126.326 122.820 -0.012 0.000 2.332 242 A HA 0.297 4.624 4.320 0.013 0.000 0.300 242 A C -0.537 177.049 177.584 0.004 0.000 1.153 242 A CA -0.643 51.411 52.037 0.029 0.000 0.764 242 A CB 0.927 19.944 19.000 0.030 0.000 1.174 242 A HN 0.672 nan 8.150 nan 0.000 0.467 243 E N 2.512 122.715 120.200 0.005 0.000 2.200 243 E HA 0.538 4.896 4.350 0.013 0.000 0.283 243 E C -1.303 175.252 176.600 -0.076 0.000 1.015 243 E CA -0.347 56.011 56.400 -0.071 0.000 0.819 243 E CB 1.106 30.728 29.700 -0.131 0.000 1.081 243 E HN 0.382 nan 8.360 nan 0.000 0.397 244 V N 4.857 124.742 119.914 -0.049 0.000 2.540 244 V HA 0.284 4.412 4.120 0.013 0.000 0.302 244 V C -0.476 175.679 176.094 0.102 0.000 1.035 244 V CA -0.808 61.514 62.300 0.035 0.000 0.873 244 V CB 1.696 33.524 31.823 0.008 0.000 0.992 244 V HN 0.740 nan 8.190 nan 0.000 0.428 245 Q N 4.196 124.067 119.800 0.120 0.000 2.345 245 Q HA 0.824 5.171 4.340 0.013 0.000 0.268 245 Q C -0.802 175.283 176.000 0.142 0.000 1.054 245 Q CA -0.872 55.010 55.803 0.132 0.000 0.835 245 Q CB 2.653 31.400 28.738 0.015 0.000 1.339 245 Q HN 0.814 nan 8.270 nan 0.000 0.447 246 M N -0.838 118.780 119.600 0.031 0.000 2.761 246 M HA 0.772 5.260 4.480 0.013 0.000 0.305 246 M C -1.225 175.000 176.300 -0.125 0.000 1.235 246 M CA -0.514 54.718 55.300 -0.113 0.000 0.850 246 M CB 1.565 33.906 32.600 -0.431 0.000 1.744 246 M HN 0.517 nan 8.290 nan 0.000 0.480 247 C N 0.472 119.703 119.300 -0.115 0.000 2.802 247 C HA 1.021 5.488 4.460 0.013 0.000 0.307 247 C C 0.677 175.599 174.990 -0.113 0.000 1.222 247 C CA 0.656 59.620 59.018 -0.089 0.000 1.580 247 C CB 1.074 28.788 27.740 -0.043 0.000 2.119 247 C HN 1.385 nan 8.230 nan 0.000 0.479 248 G N 1.508 110.250 108.800 -0.097 0.000 2.384 248 G HA2 -0.064 3.904 3.960 0.013 0.000 0.200 248 G HA3 -0.064 3.904 3.960 0.013 0.000 0.200 248 G C -0.702 174.138 174.900 -0.102 0.000 1.205 248 G CA -0.365 44.683 45.100 -0.087 0.000 1.116 248 G HN 0.880 nan 8.290 nan 0.000 0.547 249 E N 0.760 120.908 120.200 -0.087 0.000 1.944 249 E HA 0.369 4.726 4.350 0.013 0.000 0.272 249 E C 0.261 176.767 176.600 -0.157 0.000 1.195 249 E CA -0.307 56.043 56.400 -0.083 0.000 0.926 249 E CB -0.129 29.560 29.700 -0.018 0.000 1.051 249 E HN 0.403 nan 8.360 nan 0.000 0.404 250 L N 5.696 126.806 121.223 -0.189 0.000 2.315 250 L HA 0.295 4.642 4.340 0.013 0.000 0.283 250 L C -0.173 176.539 176.870 -0.262 0.000 1.089 250 L CA -0.033 54.650 54.840 -0.262 0.000 0.833 250 L CB 0.127 42.056 42.059 -0.216 0.000 1.170 250 L HN 0.480 nan 8.230 nan 0.000 0.442 251 R N 2.570 122.832 120.500 -0.396 0.000 2.740 251 R HA 0.197 4.544 4.340 0.013 0.000 0.273 251 R C -0.162 175.825 176.300 -0.521 0.000 0.998 251 R CA -0.811 54.971 56.100 -0.529 0.000 0.900 251 R CB 1.398 31.027 30.300 -1.118 0.000 1.223 251 R HN 0.488 nan 8.270 nan 0.000 0.466 252 D N 0.894 121.093 120.400 -0.334 0.000 2.263 252 D HA -0.137 4.511 4.640 0.013 0.000 0.208 252 D C 1.511 177.742 176.300 -0.115 0.000 0.971 252 D CA 1.548 55.452 54.000 -0.160 0.000 0.867 252 D CB 0.123 40.888 40.800 -0.058 0.000 0.929 252 D HN 0.547 nan 8.370 nan 0.000 0.492 253 Y N -0.139 120.171 120.300 0.017 0.000 2.583 253 Y HA 0.244 4.802 4.550 0.013 0.000 0.293 253 Y C 0.835 176.742 175.900 0.010 0.000 1.157 253 Y CA -0.426 57.683 58.100 0.014 0.000 1.315 253 Y CB -0.910 37.557 38.460 0.013 0.000 1.021 253 Y HN -0.187 nan 8.280 nan 0.000 0.536 254 L N 2.387 123.590 121.223 -0.033 0.000 2.436 254 L HA 0.351 4.698 4.340 0.013 0.000 0.265 254 L C 0.205 177.112 176.870 0.061 0.000 1.168 254 L CA -0.274 54.636 54.840 0.117 0.000 0.815 254 L CB 0.559 42.672 42.059 0.089 0.000 1.109 254 L HN 0.142 nan 8.230 nan 0.000 0.462 255 R N 1.392 121.822 120.500 -0.117 0.000 2.764 255 R HA 0.667 5.015 4.340 0.013 0.000 0.270 255 R C -1.564 174.464 176.300 -0.454 0.000 1.014 255 R CA -0.798 55.087 56.100 -0.358 0.000 0.904 255 R CB 2.045 31.988 30.300 -0.595 0.000 1.236 255 R HN 0.260 nan 8.270 nan 0.000 0.466 256 V N 0.802 120.471 119.914 -0.409 0.000 2.588 256 V HA 0.506 4.634 4.120 0.013 0.000 0.304 256 V C -0.384 175.683 176.094 -0.045 0.000 1.042 256 V CA -0.524 61.639 62.300 -0.229 0.000 0.877 256 V CB 2.308 33.935 31.823 -0.326 0.000 0.996 256 V HN 0.713 nan 8.190 nan 0.000 0.425 257 T N 4.049 118.693 114.554 0.150 0.000 2.792 257 T HA 0.596 4.954 4.350 0.013 0.000 0.280 257 T C -0.640 174.085 174.700 0.043 0.000 0.990 257 T CA -0.324 61.857 62.100 0.135 0.000 0.960 257 T CB 1.585 70.566 68.868 0.188 0.000 0.939 257 T HN 0.337 nan 8.240 nan 0.000 0.439 258 V N 4.021 123.938 119.914 0.005 0.000 2.417 258 V HA 0.674 4.801 4.120 0.013 0.000 0.291 258 V C 0.009 176.112 176.094 0.015 0.000 1.024 258 V CA -0.740 61.559 62.300 -0.002 0.000 0.861 258 V CB 1.746 33.553 31.823 -0.026 0.000 0.985 258 V HN 1.046 nan 8.190 nan 0.000 0.436 259 S N 5.268 121.008 115.700 0.066 0.000 2.536 259 S HA 0.870 5.348 4.470 0.013 0.000 0.298 259 S C -1.085 173.571 174.600 0.092 0.000 1.083 259 S CA -0.778 57.448 58.200 0.043 0.000 0.995 259 S CB 2.172 65.436 63.200 0.107 0.000 1.058 259 S HN 0.561 nan 8.310 nan 0.000 0.488 260 L N 2.090 123.263 121.223 -0.083 0.000 2.362 260 L HA 0.816 5.164 4.340 0.013 0.000 0.275 260 L C -2.050 174.764 176.870 -0.093 0.000 0.998 260 L CA -0.312 54.569 54.840 0.069 0.000 0.820 260 L CB 1.063 43.152 42.059 0.051 0.000 1.270 260 L HN 0.894 nan 8.230 nan 0.000 0.415 261 W N 3.307 124.716 121.300 0.182 0.000 2.736 261 W HA 0.602 5.270 4.660 0.013 0.000 0.335 261 W C -0.756 175.872 176.519 0.181 0.000 1.059 261 W CA -0.469 56.961 57.345 0.141 0.000 1.226 261 W CB 1.598 31.093 29.460 0.058 0.000 1.416 261 W HN 0.512 nan 8.180 nan 0.000 0.505 262 Q N 2.723 122.681 119.800 0.265 0.000 2.381 262 Q HA 0.561 4.909 4.340 0.013 0.000 0.263 262 Q C 0.707 176.754 176.000 0.077 0.000 1.030 262 Q CA 0.336 56.156 55.803 0.028 0.000 0.772 262 Q CB 0.980 29.662 28.738 -0.094 0.000 1.232 262 Q HN 0.784 nan 8.270 nan 0.000 0.476 263 G N 3.244 112.085 108.800 0.068 0.000 2.574 263 G HA2 -0.368 3.600 3.960 0.013 0.000 0.286 263 G HA3 -0.368 3.600 3.960 0.013 0.000 0.286 263 G C 0.307 175.307 174.900 0.166 0.000 1.212 263 G CA 0.367 45.511 45.100 0.073 0.000 0.979 263 G HN 0.727 nan 8.290 nan 0.000 0.557 264 E N 0.778 121.067 120.200 0.148 0.000 2.476 264 E HA 0.190 4.548 4.350 0.013 0.000 0.191 264 E C 0.311 177.141 176.600 0.384 0.000 1.064 264 E CA 0.489 57.020 56.400 0.220 0.000 0.866 264 E CB 0.150 29.911 29.700 0.102 0.000 0.952 264 E HN 0.327 nan 8.360 nan 0.000 0.492 265 T N 1.152 115.883 114.554 0.294 0.000 2.795 265 T HA 0.122 4.480 4.350 0.013 0.000 0.282 265 T C -0.265 174.418 174.700 -0.029 0.000 0.980 265 T CA -0.454 61.734 62.100 0.147 0.000 1.012 265 T CB 1.690 70.588 68.868 0.050 0.000 0.936 265 T HN 0.034 nan 8.240 nan 0.000 0.457 266 Q N 2.830 122.348 119.800 -0.470 0.000 2.307 266 Q HA 0.304 4.652 4.340 0.013 0.000 0.259 266 Q C 0.930 176.652 176.000 -0.464 0.000 0.998 266 Q CA -0.493 54.683 55.803 -1.045 0.000 0.923 266 Q CB 0.731 28.621 28.738 -1.413 0.000 1.196 266 Q HN 0.689 nan 8.270 nan 0.000 0.416 267 V N 1.019 120.738 119.914 -0.324 0.000 3.307 267 V HA 0.573 4.701 4.120 0.013 0.000 0.253 267 V C 0.342 176.342 176.094 -0.157 0.000 1.149 267 V CA 0.736 62.947 62.300 -0.149 0.000 1.112 267 V CB 0.031 31.856 31.823 0.004 0.000 0.777 267 V HN 0.643 nan 8.190 nan 0.000 0.464 268 A N -0.920 121.778 122.820 -0.202 0.000 2.610 268 A HA 0.831 5.159 4.320 0.013 0.000 0.291 268 A C -0.671 176.814 177.584 -0.165 0.000 1.086 268 A CA 0.201 52.150 52.037 -0.148 0.000 0.677 268 A CB 1.626 20.569 19.000 -0.095 0.000 1.278 268 A HN 0.624 nan 8.150 nan 0.000 0.414 269 S N -1.190 114.441 115.700 -0.114 0.000 2.543 269 S HA 0.766 5.244 4.470 0.013 0.000 0.274 269 S C -0.647 173.919 174.600 -0.056 0.000 1.149 269 S CA 0.208 58.355 58.200 -0.087 0.000 0.866 269 S CB 1.628 64.768 63.200 -0.101 0.000 1.111 269 S HN 2.334 nan 8.310 nan 0.000 0.457 270 G N 1.506 110.284 108.800 -0.038 0.000 2.706 270 G HA2 0.644 4.612 3.960 0.013 0.000 0.297 270 G HA3 0.644 4.612 3.960 0.013 0.000 0.297 270 G C -1.424 173.466 174.900 -0.017 0.000 1.403 270 G CA -0.390 44.691 45.100 -0.032 0.000 0.954 270 G HN 0.691 nan 8.290 nan 0.000 0.500 271 T N -0.074 114.473 114.554 -0.012 0.000 2.876 271 T HA 0.849 5.206 4.350 0.013 0.000 0.289 271 T C -0.265 174.408 174.700 -0.045 0.000 1.014 271 T CA -0.049 62.053 62.100 0.004 0.000 0.986 271 T CB 1.801 70.709 68.868 0.066 0.000 1.021 271 T HN 1.477 nan 8.240 nan 0.000 0.458 272 A N 3.515 126.274 122.820 -0.101 0.000 2.606 272 A HA 0.925 5.252 4.320 0.013 0.000 0.293 272 A C -3.055 174.412 177.584 -0.195 0.000 1.082 272 A CA -1.622 50.339 52.037 -0.127 0.000 0.685 272 A CB 1.357 20.274 19.000 -0.138 0.000 1.284 272 A HN 0.536 nan 8.150 nan 0.000 0.408 273 P HA 0.535 nan 4.420 nan 0.000 0.278 273 P C -0.649 176.538 177.300 -0.187 0.000 1.266 273 P CA -0.295 62.730 63.100 -0.124 0.000 0.807 273 P CB 0.407 32.085 31.700 -0.037 0.000 1.094 274 F N -0.338 119.569 119.950 -0.072 0.000 2.406 274 F HA 0.485 5.020 4.527 0.013 0.000 0.327 274 F C 1.425 177.203 175.800 -0.036 0.000 1.153 274 F CA 1.430 59.398 58.000 -0.053 0.000 1.218 274 F CB 0.329 39.292 39.000 -0.063 0.000 1.215 274 F HN 0.576 nan 8.300 nan 0.000 0.570 275 G N 1.549 110.454 108.800 0.175 0.000 2.781 275 G HA2 0.343 4.310 3.960 0.013 0.000 0.468 275 G HA3 0.343 4.310 3.960 0.013 0.000 0.468 275 G C -0.424 174.518 174.900 0.070 0.000 1.186 275 G CA -0.732 44.434 45.100 0.109 0.000 1.220 275 G HN 1.038 nan 8.290 nan 0.000 0.564 276 G N 1.043 109.906 108.800 0.106 0.000 2.616 276 G HA2 0.644 4.611 3.960 0.013 0.000 0.268 276 G HA3 0.644 4.611 3.960 0.013 0.000 0.268 276 G C 0.548 175.485 174.900 0.062 0.000 1.213 276 G CA -0.013 45.137 45.100 0.084 0.000 0.926 276 G HN 0.945 nan 8.290 nan 0.000 0.523 277 E N -0.379 119.850 120.200 0.048 0.000 2.425 277 E HA 0.021 4.379 4.350 0.013 0.000 0.258 277 E C 0.119 176.739 176.600 0.033 0.000 1.151 277 E CA -0.303 56.116 56.400 0.031 0.000 0.958 277 E CB 0.775 30.489 29.700 0.024 0.000 0.968 277 E HN 0.313 nan 8.360 nan 0.000 0.451 278 I N 1.510 122.088 120.570 0.013 0.000 2.618 278 I HA -0.091 4.087 4.170 0.013 0.000 0.284 278 I C 1.421 177.543 176.117 0.008 0.000 1.146 278 I CA 0.361 61.661 61.300 -0.000 0.000 1.425 278 I CB 0.202 38.198 38.000 -0.006 0.000 1.383 278 I HN 0.563 nan 8.210 nan 0.000 0.562 279 I N 1.532 122.101 120.570 -0.002 0.000 4.244 279 I HA 0.320 4.498 4.170 0.013 0.000 0.318 279 I C -0.135 175.980 176.117 -0.003 0.000 1.282 279 I CA -0.002 61.307 61.300 0.015 0.000 1.276 279 I CB 0.518 38.552 38.000 0.057 0.000 1.183 279 I HN 0.596 nan 8.210 nan 0.000 0.431 280 D N -0.311 120.073 120.400 -0.027 0.000 2.825 280 D HA 0.198 4.846 4.640 0.013 0.000 0.327 280 D C 0.260 176.542 176.300 -0.030 0.000 1.277 280 D CA -0.513 53.473 54.000 -0.024 0.000 0.950 280 D CB 0.539 41.325 40.800 -0.023 0.000 1.438 280 D HN -0.114 nan 8.370 nan 0.000 0.526 281 E N -1.100 119.085 120.200 -0.025 0.000 2.333 281 E HA -0.032 4.325 4.350 0.013 0.000 0.198 281 E C 1.240 177.820 176.600 -0.033 0.000 1.007 281 E CA 0.903 57.288 56.400 -0.024 0.000 0.845 281 E CB 0.005 29.694 29.700 -0.018 0.000 0.766 281 E HN 0.209 nan 8.360 nan 0.000 0.507 282 R N -0.414 120.058 120.500 -0.047 0.000 2.334 282 R HA 0.288 4.636 4.340 0.013 0.000 0.216 282 R C 0.812 177.069 176.300 -0.072 0.000 0.905 282 R CA 0.669 56.735 56.100 -0.058 0.000 1.064 282 R CB 0.721 30.982 30.300 -0.066 0.000 1.046 282 R HN 0.207 nan 8.270 nan 0.000 0.508 283 G N -0.426 108.332 108.800 -0.069 0.000 2.460 283 G HA2 -0.126 3.841 3.960 0.013 0.000 0.207 283 G HA3 -0.126 3.841 3.960 0.013 0.000 0.207 283 G C -0.214 174.630 174.900 -0.095 0.000 1.170 283 G CA -0.604 44.455 45.100 -0.069 0.000 1.151 283 G HN 0.485 nan 8.290 nan 0.000 0.575 284 G N -2.040 106.696 108.800 -0.106 0.000 3.022 284 G HA2 0.633 4.600 3.960 0.013 0.000 0.284 284 G HA3 0.633 4.600 3.960 0.013 0.000 0.284 284 G C -1.613 173.167 174.900 -0.200 0.000 1.375 284 G CA -0.671 44.361 45.100 -0.113 0.000 0.902 284 G HN 0.776 nan 8.290 nan 0.000 0.538 285 Y N 1.109 121.420 120.300 0.018 0.000 2.504 285 Y HA 0.420 4.978 4.550 0.012 0.000 0.351 285 Y C 1.433 177.357 175.900 0.041 0.000 0.988 285 Y CA 0.270 58.386 58.100 0.026 0.000 1.239 285 Y CB 1.581 40.062 38.460 0.035 0.000 1.128 285 Y HN 0.535 nan 8.280 nan 0.000 0.525 286 A N 1.835 124.718 122.820 0.104 0.000 2.167 286 A HA -0.098 4.229 4.320 0.013 0.000 0.214 286 A C 1.251 178.907 177.584 0.121 0.000 1.151 286 A CA 1.099 53.190 52.037 0.090 0.000 0.735 286 A CB -0.267 18.743 19.000 0.018 0.000 0.802 286 A HN 0.761 nan 8.150 nan 0.000 0.467 287 D N -0.716 119.765 120.400 0.134 0.000 2.427 287 D HA 0.148 4.796 4.640 0.013 0.000 0.224 287 D C 0.433 176.876 176.300 0.239 0.000 1.157 287 D CA -0.072 53.949 54.000 0.035 0.000 0.828 287 D CB -0.023 40.763 40.800 -0.024 0.000 0.974 287 D HN 0.381 nan 8.370 nan 0.000 0.498 288 R N -0.856 119.882 120.500 0.398 0.000 2.836 288 R HA 0.753 5.101 4.340 0.013 0.000 0.269 288 R C -1.600 174.827 176.300 0.211 0.000 1.010 288 R CA -1.177 55.123 56.100 0.333 0.000 0.930 288 R CB 2.984 33.346 30.300 0.102 0.000 1.218 288 R HN -0.021 nan 8.270 nan 0.000 0.473 289 V N 0.278 120.180 119.914 -0.020 0.000 2.969 289 V HA 0.511 4.638 4.120 0.013 0.000 0.304 289 V C -1.530 174.485 176.094 -0.132 0.000 1.192 289 V CA -0.264 61.931 62.300 -0.173 0.000 0.962 289 V CB 2.707 34.238 31.823 -0.488 0.000 1.045 289 V HN 0.806 nan 8.190 nan 0.000 0.428 290 T N 7.477 121.972 114.554 -0.098 0.000 2.809 290 T HA 0.564 4.921 4.350 0.013 0.000 0.284 290 T C -0.955 173.699 174.700 -0.077 0.000 0.992 290 T CA -0.382 61.674 62.100 -0.073 0.000 0.957 290 T CB 1.013 69.855 68.868 -0.044 0.000 0.942 290 T HN 0.428 nan 8.240 nan 0.000 0.439 291 L N 3.791 124.969 121.223 -0.075 0.000 2.307 291 L HA 0.562 4.910 4.340 0.013 0.000 0.282 291 L C 0.487 177.327 176.870 -0.051 0.000 1.051 291 L CA -0.275 54.524 54.840 -0.068 0.000 0.804 291 L CB 1.192 43.211 42.059 -0.067 0.000 1.197 291 L HN 0.542 nan 8.230 nan 0.000 0.431 292 R N 3.677 124.148 120.500 -0.049 0.000 2.451 292 R HA 0.589 4.936 4.340 0.013 0.000 0.307 292 R C -1.349 174.925 176.300 -0.044 0.000 0.965 292 R CA -0.946 55.127 56.100 -0.046 0.000 0.865 292 R CB 1.960 32.233 30.300 -0.045 0.000 1.174 292 R HN 0.245 nan 8.270 nan 0.000 0.455 293 L N 2.919 124.117 121.223 -0.042 0.000 2.313 293 L HA 0.349 4.697 4.340 0.013 0.000 0.283 293 L C -0.136 176.710 176.870 -0.040 0.000 1.013 293 L CA -0.515 54.301 54.840 -0.040 0.000 0.816 293 L CB 1.427 43.467 42.059 -0.031 0.000 1.236 293 L HN 0.436 nan 8.230 nan 0.000 0.419 294 N N 2.440 121.112 118.700 -0.048 0.000 2.499 294 N HA 0.454 5.202 4.740 0.013 0.000 0.281 294 N C -1.020 174.451 175.510 -0.066 0.000 1.098 294 N CA -0.215 52.804 53.050 -0.052 0.000 0.979 294 N CB 2.228 40.686 38.487 -0.049 0.000 1.121 294 N HN 0.205 nan 8.380 nan 0.000 0.466 295 V N 2.218 122.082 119.914 -0.084 0.000 2.482 295 V HA 0.185 4.312 4.120 0.013 0.000 0.295 295 V C -0.152 175.866 176.094 -0.126 0.000 1.026 295 V CA -0.876 61.337 62.300 -0.145 0.000 0.856 295 V CB 1.883 33.534 31.823 -0.286 0.000 1.001 295 V HN 0.458 nan 8.190 nan 0.000 0.424 296 E N 2.891 123.039 120.200 -0.087 0.000 2.283 296 E HA 0.295 4.653 4.350 0.013 0.000 0.278 296 E C 0.240 176.818 176.600 -0.038 0.000 1.027 296 E CA -0.337 56.035 56.400 -0.046 0.000 0.843 296 E CB 0.606 30.289 29.700 -0.029 0.000 1.062 296 E HN 0.740 nan 8.360 nan 0.000 0.401 297 N N 1.236 119.936 118.700 0.000 0.000 2.705 297 N HA -0.145 4.602 4.740 0.013 0.000 0.255 297 N C -2.494 173.021 175.510 0.008 0.000 1.008 297 N CA 0.135 53.200 53.050 0.026 0.000 0.742 297 N CB -0.942 37.558 38.487 0.023 0.000 0.906 297 N HN 0.318 nan 8.380 nan 0.000 0.541 298 P HA -0.010 nan 4.420 nan 0.000 0.269 298 P C -0.428 176.906 177.300 0.056 0.000 1.209 298 P CA 0.370 63.383 63.100 -0.146 0.000 0.776 298 P CB 0.704 32.146 31.700 -0.430 0.000 0.876 299 K N 2.573 123.081 120.400 0.180 0.000 2.316 299 K HA 0.282 4.610 4.320 0.013 0.000 0.289 299 K C 0.209 176.964 176.600 0.257 0.000 1.070 299 K CA -0.353 56.032 56.287 0.163 0.000 0.928 299 K CB 0.195 32.746 32.500 0.084 0.000 1.039 299 K HN 0.429 nan 8.250 nan 0.000 0.480 300 L N 2.478 123.781 121.223 0.134 0.000 2.375 300 L HA 0.311 4.658 4.340 0.013 0.000 0.271 300 L C -0.011 176.939 176.870 0.133 0.000 1.107 300 L CA -0.854 54.072 54.840 0.143 0.000 0.806 300 L CB 0.475 42.456 42.059 -0.130 0.000 1.146 300 L HN 0.604 nan 8.230 nan 0.000 0.447 301 W N 2.872 124.203 121.300 0.052 0.000 2.376 301 W HA 0.479 5.146 4.660 0.012 0.000 0.322 301 W C -0.009 176.461 176.519 -0.080 0.000 1.160 301 W CA 0.096 57.455 57.345 0.023 0.000 1.218 301 W CB 1.332 30.860 29.460 0.114 0.000 1.205 301 W HN 0.611 nan 8.180 nan 0.000 0.559 302 S N 2.837 118.024 115.700 -0.855 0.000 2.656 302 S HA 0.661 5.139 4.470 0.013 0.000 0.273 302 S C 0.139 173.925 174.600 -1.357 0.000 1.168 302 S CA -0.363 57.363 58.200 -0.790 0.000 0.817 302 S CB 1.130 64.140 63.200 -0.317 0.000 1.146 302 S HN 0.962 nan 8.310 nan 0.000 0.475 303 A N 0.452 122.627 122.820 -1.075 0.000 2.015 303 A HA 0.056 4.384 4.320 0.013 0.000 0.219 303 A C 1.787 179.032 177.584 -0.565 0.000 1.163 303 A CA 1.454 52.894 52.037 -0.995 0.000 0.646 303 A CB -1.026 17.264 19.000 -1.185 0.000 0.806 303 A HN 0.873 nan 8.150 nan 0.000 0.448 304 E N -0.694 119.315 120.200 -0.319 0.000 2.051 304 E HA -0.028 4.329 4.350 0.013 0.000 0.192 304 E C -0.181 176.268 176.600 -0.251 0.000 0.991 304 E CA 0.832 57.103 56.400 -0.215 0.000 0.799 304 E CB -0.052 29.655 29.700 0.011 0.000 0.748 304 E HN 0.604 nan 8.360 nan 0.000 0.449 305 I N 1.511 121.911 120.570 -0.283 0.000 2.542 305 I HA 0.151 4.329 4.170 0.013 0.000 0.278 305 I C -2.483 173.410 176.117 -0.373 0.000 1.069 305 I CA -1.839 59.318 61.300 -0.238 0.000 1.100 305 I CB 2.232 40.142 38.000 -0.149 0.000 1.204 305 I HN -0.200 nan 8.210 nan 0.000 0.470 306 P HA 0.089 nan 4.420 nan 0.000 0.226 306 P C -0.577 176.696 177.300 -0.045 0.000 1.783 306 P CA -0.280 62.504 63.100 -0.526 0.000 0.980 306 P CB -0.267 31.269 31.700 -0.273 0.000 1.967 307 N N 1.675 120.372 118.700 -0.005 0.000 2.412 307 N HA 0.105 4.853 4.740 0.013 0.000 0.258 307 N C 0.118 175.834 175.510 0.343 0.000 1.236 307 N CA 0.545 53.667 53.050 0.121 0.000 0.882 307 N CB 0.712 39.261 38.487 0.104 0.000 1.066 307 N HN 0.308 nan 8.380 nan 0.000 0.465 308 L N 2.184 123.539 121.223 0.220 0.000 2.388 308 L HA 0.465 4.813 4.340 0.013 0.000 0.264 308 L C -0.819 176.154 176.870 0.171 0.000 0.998 308 L CA -0.860 54.167 54.840 0.311 0.000 0.817 308 L CB 1.335 43.545 42.059 0.252 0.000 1.338 308 L HN 0.387 nan 8.230 nan 0.000 0.414 309 Y N 0.264 120.723 120.300 0.264 0.000 2.631 309 Y HA 0.668 5.226 4.550 0.013 0.000 0.328 309 Y C -0.127 175.900 175.900 0.212 0.000 1.118 309 Y CA -0.788 57.464 58.100 0.253 0.000 1.206 309 Y CB 1.528 40.196 38.460 0.347 0.000 1.337 309 Y HN 0.378 nan 8.280 nan 0.000 0.515 310 R N 0.990 121.733 120.500 0.405 0.000 2.437 310 R HA 0.790 5.137 4.340 0.013 0.000 0.310 310 R C -1.643 174.846 176.300 0.315 0.000 0.955 310 R CA -0.549 55.717 56.100 0.276 0.000 0.851 310 R CB 1.050 31.452 30.300 0.170 0.000 1.161 310 R HN 0.736 nan 8.270 nan 0.000 0.446 311 A N 3.920 126.870 122.820 0.217 0.000 2.288 311 A HA 0.617 4.944 4.320 0.013 0.000 0.320 311 A C -1.029 176.614 177.584 0.097 0.000 1.217 311 A CA -0.655 51.489 52.037 0.179 0.000 0.840 311 A CB 1.268 20.340 19.000 0.121 0.000 1.179 311 A HN 0.491 nan 8.150 nan 0.000 0.504 312 V N 3.357 123.334 119.914 0.105 0.000 2.417 312 V HA 0.373 4.500 4.120 0.013 0.000 0.291 312 V C -0.334 175.734 176.094 -0.044 0.000 1.024 312 V CA -0.473 61.823 62.300 -0.007 0.000 0.861 312 V CB 1.614 33.437 31.823 -0.001 0.000 0.985 312 V HN 0.610 nan 8.190 nan 0.000 0.436 313 V N 4.968 124.790 119.914 -0.153 0.000 2.311 313 V HA 0.390 4.518 4.120 0.013 0.000 0.275 313 V C 0.003 176.038 176.094 -0.097 0.000 1.022 313 V CA -0.560 61.628 62.300 -0.186 0.000 0.830 313 V CB 1.088 32.642 31.823 -0.450 0.000 1.012 313 V HN 0.913 nan 8.190 nan 0.000 0.452 314 E N 3.818 124.016 120.200 -0.003 0.000 2.156 314 E HA 0.479 4.837 4.350 0.013 0.000 0.279 314 E C -0.912 175.787 176.600 0.164 0.000 0.965 314 E CA -0.845 55.598 56.400 0.073 0.000 0.789 314 E CB 2.445 32.195 29.700 0.082 0.000 1.098 314 E HN 0.469 nan 8.360 nan 0.000 0.397 315 L N 4.818 126.119 121.223 0.129 0.000 2.264 315 L HA 0.359 4.706 4.340 0.013 0.000 0.289 315 L C -0.978 176.012 176.870 0.200 0.000 1.044 315 L CA 0.107 55.027 54.840 0.135 0.000 0.807 315 L CB -0.004 42.111 42.059 0.094 0.000 1.192 315 L HN 0.646 nan 8.230 nan 0.000 0.425 316 H N 0.178 119.304 119.070 0.092 0.000 2.990 316 H HA 0.700 5.263 4.556 0.013 0.000 0.336 316 H C -0.702 174.704 175.328 0.130 0.000 1.306 316 H CA -0.544 55.553 56.048 0.083 0.000 1.118 316 H CB 0.592 30.382 29.762 0.046 0.000 1.856 316 H HN 0.515 nan 8.280 nan 0.000 0.538 317 T N -1.542 113.146 114.554 0.222 0.000 2.904 317 T HA 0.445 4.803 4.350 0.013 0.000 0.290 317 T C 1.490 176.328 174.700 0.230 0.000 1.018 317 T CA -0.278 61.937 62.100 0.192 0.000 1.075 317 T CB 1.354 70.250 68.868 0.046 0.000 0.986 317 T HN 0.931 nan 8.240 nan 0.000 0.523 318 A N 1.493 124.415 122.820 0.170 0.000 1.948 318 A HA -0.093 4.234 4.320 0.013 0.000 0.220 318 A C 1.817 179.500 177.584 0.165 0.000 1.177 318 A CA 1.625 53.758 52.037 0.161 0.000 0.636 318 A CB -0.891 18.176 19.000 0.113 0.000 0.815 318 A HN 0.869 nan 8.150 nan 0.000 0.449 319 D N -1.488 118.979 120.400 0.111 0.000 2.363 319 D HA 0.286 4.934 4.640 0.013 0.000 0.226 319 D C 1.255 177.590 176.300 0.058 0.000 1.020 319 D CA 1.184 55.223 54.000 0.065 0.000 0.892 319 D CB 0.071 40.886 40.800 0.025 0.000 0.900 319 D HN 0.645 nan 8.370 nan 0.000 0.531 320 G N -0.415 108.447 108.800 0.103 0.000 2.183 320 G HA2 -0.201 3.767 3.960 0.013 0.000 0.168 320 G HA3 -0.201 3.767 3.960 0.013 0.000 0.168 320 G C 0.372 175.291 174.900 0.031 0.000 1.008 320 G CA -0.245 44.881 45.100 0.044 0.000 0.677 320 G HN 0.239 nan 8.290 nan 0.000 0.498 321 T N 1.867 116.461 114.554 0.066 0.000 2.728 321 T HA 0.523 4.880 4.350 0.013 0.000 0.296 321 T C 0.174 174.928 174.700 0.090 0.000 0.940 321 T CA -0.227 61.899 62.100 0.044 0.000 1.013 321 T CB 1.782 70.659 68.868 0.015 0.000 0.912 321 T HN 0.553 nan 8.240 nan 0.000 0.484 322 L N 5.292 126.547 121.223 0.054 0.000 2.360 322 L HA 0.361 4.708 4.340 0.013 0.000 0.276 322 L C 0.793 177.705 176.870 0.070 0.000 1.121 322 L CA 0.339 55.225 54.840 0.077 0.000 0.845 322 L CB 0.042 42.117 42.059 0.026 0.000 1.143 322 L HN 0.686 nan 8.230 nan 0.000 0.452 323 I N 2.837 123.461 120.570 0.090 0.000 2.364 323 I HA 0.084 4.261 4.170 0.013 0.000 0.241 323 I C 0.312 176.451 176.117 0.036 0.000 1.082 323 I CA 0.574 61.909 61.300 0.057 0.000 1.401 323 I CB 0.074 38.114 38.000 0.066 0.000 1.126 323 I HN 0.799 nan 8.210 nan 0.000 0.429 324 E N 0.222 120.444 120.200 0.037 0.000 2.401 324 E HA 0.723 5.081 4.350 0.013 0.000 0.280 324 E C -1.444 175.174 176.600 0.030 0.000 1.039 324 E CA -1.093 55.320 56.400 0.022 0.000 0.814 324 E CB 1.884 31.566 29.700 -0.030 0.000 1.275 324 E HN 0.017 nan 8.360 nan 0.000 0.448 325 A N 1.415 124.276 122.820 0.069 0.000 2.386 325 A HA 0.699 5.026 4.320 0.013 0.000 0.311 325 A C -0.874 176.802 177.584 0.152 0.000 1.068 325 A CA -0.722 51.353 52.037 0.063 0.000 0.743 325 A CB 1.537 20.567 19.000 0.050 0.000 1.258 325 A HN 0.536 nan 8.150 nan 0.000 0.429 326 E N -0.382 119.839 120.200 0.036 0.000 2.355 326 E HA 0.851 5.209 4.350 0.013 0.000 0.261 326 E C -0.505 176.122 176.600 0.044 0.000 0.943 326 E CA -0.532 55.950 56.400 0.137 0.000 0.806 326 E CB 2.359 32.030 29.700 -0.049 0.000 1.286 326 E HN 1.196 nan 8.360 nan 0.000 0.424 327 A N -0.214 122.745 122.820 0.232 0.000 2.566 327 A HA 0.687 5.015 4.320 0.013 0.000 0.290 327 A C -1.190 176.585 177.584 0.318 0.000 1.071 327 A CA -0.368 51.736 52.037 0.111 0.000 0.658 327 A CB 0.633 19.625 19.000 -0.014 0.000 1.285 327 A HN 0.865 nan 8.150 nan 0.000 0.427 328 C N -0.645 118.802 119.300 0.245 0.000 3.311 328 C HA 0.814 5.281 4.460 0.013 0.000 0.325 328 C C -1.343 173.753 174.990 0.175 0.000 1.352 328 C CA -0.934 58.236 59.018 0.253 0.000 1.308 328 C CB 1.070 28.983 27.740 0.287 0.000 1.619 328 C HN 0.821 nan 8.230 nan 0.000 0.469 329 D N 1.046 121.536 120.400 0.149 0.000 2.350 329 D HA 0.533 5.181 4.640 0.013 0.000 0.249 329 D C -0.311 176.056 176.300 0.112 0.000 1.119 329 D CA 0.197 54.285 54.000 0.148 0.000 0.886 329 D CB 1.771 42.660 40.800 0.148 0.000 1.195 329 D HN 0.544 nan 8.370 nan 0.000 0.437 330 V N 1.201 121.209 119.914 0.157 0.000 2.495 330 V HA 0.671 4.799 4.120 0.013 0.000 0.298 330 V C 0.601 176.781 176.094 0.144 0.000 1.031 330 V CA -0.828 61.515 62.300 0.072 0.000 0.871 330 V CB 2.038 33.890 31.823 0.048 0.000 0.988 330 V HN 0.606 nan 8.190 nan 0.000 0.432 331 G N 3.003 111.787 108.800 -0.027 0.000 2.487 331 G HA2 0.602 4.570 3.960 0.013 0.000 0.314 331 G HA3 0.602 4.570 3.960 0.013 0.000 0.314 331 G C -0.984 174.005 174.900 0.149 0.000 1.267 331 G CA -0.409 44.764 45.100 0.122 0.000 0.937 331 G HN 0.426 nan 8.290 nan 0.000 0.481 332 F N 4.066 124.216 119.950 0.334 0.000 2.462 332 F HA 0.397 4.931 4.527 0.012 0.000 0.360 332 F C 1.189 177.240 175.800 0.418 0.000 1.134 332 F CA -0.066 58.190 58.000 0.426 0.000 1.148 332 F CB 0.565 39.841 39.000 0.461 0.000 1.147 332 F HN 0.437 nan 8.300 nan 0.000 0.550 333 R N 2.931 123.718 120.500 0.479 0.000 2.663 333 R HA 0.429 4.776 4.340 0.013 0.000 0.267 333 R C -1.764 174.718 176.300 0.303 0.000 1.038 333 R CA -0.812 55.427 56.100 0.231 0.000 0.886 333 R CB 1.583 32.047 30.300 0.274 0.000 1.249 333 R HN 0.579 nan 8.270 nan 0.000 0.463 334 E N 2.060 122.350 120.200 0.149 0.000 2.183 334 E HA 0.471 4.829 4.350 0.013 0.000 0.271 334 E C -1.220 175.467 176.600 0.144 0.000 0.919 334 E CA -0.934 55.627 56.400 0.268 0.000 0.781 334 E CB 2.099 32.032 29.700 0.388 0.000 1.140 334 E HN 0.395 nan 8.360 nan 0.000 0.402 335 V N 5.556 125.544 119.914 0.123 0.000 2.409 335 V HA 0.555 4.683 4.120 0.013 0.000 0.291 335 V C -0.225 175.914 176.094 0.075 0.000 1.020 335 V CA -0.615 61.727 62.300 0.069 0.000 0.848 335 V CB 1.212 33.054 31.823 0.031 0.000 0.990 335 V HN 0.737 nan 8.190 nan 0.000 0.430 336 R N 4.359 124.900 120.500 0.067 0.000 2.680 336 R HA 0.720 5.068 4.340 0.013 0.000 0.269 336 R C -2.056 174.274 176.300 0.050 0.000 1.026 336 R CA -0.921 55.220 56.100 0.068 0.000 0.889 336 R CB 1.970 32.325 30.300 0.093 0.000 1.241 336 R HN 0.516 nan 8.270 nan 0.000 0.463 337 I N 1.394 121.992 120.570 0.048 0.000 2.354 337 I HA 0.335 4.513 4.170 0.013 0.000 0.292 337 I C -0.611 175.531 176.117 0.042 0.000 0.989 337 I CA -0.420 60.902 61.300 0.037 0.000 1.188 337 I CB 1.839 39.862 38.000 0.038 0.000 1.342 337 I HN 0.707 nan 8.210 nan 0.000 0.457 338 E N 5.934 126.156 120.200 0.035 0.000 2.278 338 E HA 0.252 4.610 4.350 0.013 0.000 0.272 338 E C -0.303 176.313 176.600 0.028 0.000 0.890 338 E CA -0.523 55.900 56.400 0.038 0.000 0.770 338 E CB 0.964 30.693 29.700 0.047 0.000 1.212 338 E HN 0.537 nan 8.360 nan 0.000 0.415 339 N N 3.277 121.993 118.700 0.027 0.000 2.725 339 N HA -0.230 4.518 4.740 0.013 0.000 0.249 339 N C 0.446 175.965 175.510 0.014 0.000 1.103 339 N CA 2.073 55.135 53.050 0.020 0.000 0.707 339 N CB -1.156 37.342 38.487 0.018 0.000 1.043 339 N HN 0.985 nan 8.380 nan 0.000 0.553 340 G N -2.352 106.457 108.800 0.015 0.000 2.175 340 G HA2 -0.273 3.695 3.960 0.013 0.000 0.244 340 G HA3 -0.273 3.695 3.960 0.013 0.000 0.244 340 G C -0.102 174.796 174.900 -0.003 0.000 0.982 340 G CA 0.416 45.521 45.100 0.008 0.000 0.641 340 G HN 0.440 nan 8.290 nan 0.000 0.527 341 L N 0.240 121.461 121.223 -0.002 0.000 2.346 341 L HA 0.714 5.062 4.340 0.013 0.000 0.274 341 L C 0.101 176.963 176.870 -0.013 0.000 1.007 341 L CA -1.324 53.506 54.840 -0.016 0.000 0.818 341 L CB 1.863 43.912 42.059 -0.016 0.000 1.284 341 L HN 0.104 nan 8.230 nan 0.000 0.424 342 L N 4.421 125.624 121.223 -0.032 0.000 2.315 342 L HA 0.435 4.783 4.340 0.013 0.000 0.283 342 L C -0.824 176.025 176.870 -0.035 0.000 1.089 342 L CA 0.404 55.225 54.840 -0.031 0.000 0.833 342 L CB 0.340 42.366 42.059 -0.055 0.000 1.170 342 L HN 0.383 nan 8.230 nan 0.000 0.442 343 L N 5.923 127.142 121.223 -0.006 0.000 2.334 343 L HA 0.552 4.899 4.340 0.013 0.000 0.276 343 L C -0.816 176.062 176.870 0.013 0.000 1.014 343 L CA -0.821 54.023 54.840 0.007 0.000 0.815 343 L CB 1.902 43.987 42.059 0.044 0.000 1.268 343 L HN 0.544 nan 8.230 nan 0.000 0.428 344 L N 3.715 124.955 121.223 0.028 0.000 2.349 344 L HA 0.485 4.833 4.340 0.013 0.000 0.278 344 L C -0.149 176.738 176.870 0.027 0.000 0.996 344 L CA -0.042 54.825 54.840 0.045 0.000 0.825 344 L CB 0.925 43.030 42.059 0.077 0.000 1.243 344 L HN 0.602 nan 8.230 nan 0.000 0.412 345 N N 4.128 122.713 118.700 -0.191 0.000 2.721 345 N HA -0.224 4.523 4.740 0.013 0.000 0.249 345 N C 0.898 176.033 175.510 -0.625 0.000 1.072 345 N CA 1.336 53.930 53.050 -0.760 0.000 0.710 345 N CB -1.283 36.661 38.487 -0.905 0.000 0.993 345 N HN 1.177 nan 8.380 nan 0.000 0.547 346 G N -2.212 106.521 108.800 -0.112 0.000 2.176 346 G HA2 -0.333 3.635 3.960 0.013 0.000 0.253 346 G HA3 -0.333 3.635 3.960 0.013 0.000 0.253 346 G C -0.056 174.875 174.900 0.052 0.000 0.979 346 G CA 0.807 45.956 45.100 0.082 0.000 0.641 346 G HN 0.394 nan 8.290 nan 0.000 0.530 347 K N 0.646 121.069 120.400 0.039 0.000 2.259 347 K HA 0.573 4.900 4.320 0.013 0.000 0.249 347 K C -2.846 173.732 176.600 -0.036 0.000 0.942 347 K CA -2.223 54.053 56.287 -0.019 0.000 0.816 347 K CB 2.428 34.855 32.500 -0.120 0.000 1.155 347 K HN 0.011 nan 8.250 nan 0.000 0.428 348 P HA 0.231 nan 4.420 nan 0.000 0.282 348 P C -0.153 177.087 177.300 -0.100 0.000 1.262 348 P CA -0.243 62.815 63.100 -0.069 0.000 0.773 348 P CB 0.493 32.155 31.700 -0.064 0.000 0.879 349 L N 3.306 124.464 121.223 -0.108 0.000 2.453 349 L HA 0.319 4.667 4.340 0.013 0.000 0.261 349 L C 0.551 177.342 176.870 -0.131 0.000 1.179 349 L CA -0.646 54.117 54.840 -0.127 0.000 0.813 349 L CB 0.377 42.316 42.059 -0.201 0.000 1.110 349 L HN 0.247 nan 8.230 nan 0.000 0.466 350 L N 3.785 124.949 121.223 -0.098 0.000 2.377 350 L HA 0.424 4.772 4.340 0.013 0.000 0.270 350 L C -0.545 176.281 176.870 -0.074 0.000 0.991 350 L CA -0.239 54.529 54.840 -0.121 0.000 0.851 350 L CB 0.918 42.934 42.059 -0.071 0.000 1.218 350 L HN 0.250 nan 8.230 nan 0.000 0.420 351 I N 5.139 125.595 120.570 -0.189 0.000 2.421 351 I HA 0.196 4.374 4.170 0.013 0.000 0.291 351 I C 0.560 176.641 176.117 -0.061 0.000 1.089 351 I CA 0.192 61.389 61.300 -0.173 0.000 1.354 351 I CB 0.340 38.108 38.000 -0.387 0.000 1.413 351 I HN 0.559 nan 8.210 nan 0.000 0.513 352 R N 4.814 125.362 120.500 0.080 0.000 3.070 352 R HA 0.431 4.779 4.340 0.013 0.000 0.252 352 R C 0.532 176.964 176.300 0.220 0.000 1.370 352 R CA -0.276 55.913 56.100 0.148 0.000 1.482 352 R CB 0.827 31.028 30.300 -0.165 0.000 1.220 352 R HN 0.762 nan 8.270 nan 0.000 0.622 353 G N 0.162 109.070 108.800 0.179 0.000 2.509 353 G HA2 0.583 4.551 3.960 0.013 0.000 0.328 353 G HA3 0.583 4.551 3.960 0.013 0.000 0.328 353 G C -1.258 173.992 174.900 0.583 0.000 1.194 353 G CA -0.445 44.759 45.100 0.174 0.000 0.967 353 G HN 0.231 nan 8.290 nan 0.000 0.488 354 V N -0.033 120.190 119.914 0.516 0.000 3.012 354 V HA 0.458 4.586 4.120 0.013 0.000 0.307 354 V C -1.168 175.084 176.094 0.263 0.000 1.166 354 V CA -1.223 61.257 62.300 0.300 0.000 0.974 354 V CB 2.252 33.951 31.823 -0.206 0.000 1.040 354 V HN 0.760 nan 8.190 nan 0.000 0.428 355 N N 4.259 123.031 118.700 0.120 0.000 2.488 355 N HA 0.412 5.159 4.740 0.013 0.000 0.274 355 N C -0.715 174.632 175.510 -0.271 0.000 1.111 355 N CA -0.252 52.734 53.050 -0.107 0.000 0.974 355 N CB 1.436 39.830 38.487 -0.155 0.000 1.089 355 N HN 0.628 nan 8.380 nan 0.000 0.465 356 R N 2.290 122.600 120.500 -0.317 0.000 2.502 356 R HA 0.233 4.581 4.340 0.013 0.000 0.300 356 R C -0.843 175.239 176.300 -0.363 0.000 0.984 356 R CA -0.559 55.374 56.100 -0.277 0.000 0.882 356 R CB 0.884 30.995 30.300 -0.315 0.000 1.180 356 R HN 0.575 nan 8.270 nan 0.000 0.444 357 H N 2.134 121.083 119.070 -0.202 0.000 2.508 357 H HA 0.146 4.710 4.556 0.013 0.000 0.358 357 H C -0.484 174.852 175.328 0.013 0.000 1.212 357 H CA 0.045 56.058 56.048 -0.058 0.000 1.356 357 H CB 1.419 31.214 29.762 0.054 0.000 1.525 357 H HN 0.567 nan 8.280 nan 0.000 0.578 358 E N 1.685 122.079 120.200 0.323 0.000 2.014 358 E HA 0.137 4.495 4.350 0.013 0.000 0.275 358 E C -0.794 175.959 176.600 0.255 0.000 0.997 358 E CA -0.106 56.403 56.400 0.183 0.000 0.804 358 E CB 0.499 30.319 29.700 0.200 0.000 1.090 358 E HN 0.381 nan 8.360 nan 0.000 0.401 359 H N 1.706 120.846 119.070 0.117 0.000 2.954 359 H HA 0.267 4.831 4.556 0.013 0.000 0.361 359 H C -1.736 173.660 175.328 0.113 0.000 1.122 359 H CA -0.631 55.483 56.048 0.110 0.000 1.217 359 H CB 1.100 30.919 29.762 0.094 0.000 1.776 359 H HN 0.418 nan 8.280 nan 0.000 0.533 360 H N 5.931 124.598 119.070 -0.673 0.000 2.771 360 H HA 0.231 4.795 4.556 0.013 0.000 0.361 360 H C -2.401 172.566 175.328 -0.602 0.000 1.108 360 H CA -2.382 53.428 56.048 -0.396 0.000 1.201 360 H CB 2.889 32.560 29.762 -0.151 0.000 1.681 360 H HN 0.526 nan 8.280 nan 0.000 0.534 361 P HA -0.029 nan 4.420 nan 0.000 0.223 361 P C 1.123 178.326 177.300 -0.163 0.000 1.151 361 P CA 0.621 63.589 63.100 -0.221 0.000 0.787 361 P CB 0.929 32.528 31.700 -0.167 0.000 0.788 362 L N -1.494 119.723 121.223 -0.010 0.000 2.388 362 L HA 0.122 4.469 4.340 0.013 0.000 0.209 362 L C 2.243 178.883 176.870 -0.382 0.000 1.061 362 L CA 0.629 55.329 54.840 -0.234 0.000 0.834 362 L CB -0.618 41.179 42.059 -0.436 0.000 1.029 362 L HN -0.018 nan 8.230 nan 0.000 0.473 363 H N -0.151 118.897 119.070 -0.037 0.000 2.551 363 H HA 0.318 4.882 4.556 0.013 0.000 0.271 363 H C 1.346 176.564 175.328 -0.182 0.000 0.984 363 H CA 0.541 56.467 56.048 -0.205 0.000 1.164 363 H CB 0.310 29.834 29.762 -0.396 0.000 1.437 363 H HN 0.365 nan 8.280 nan 0.000 0.550 364 G N 1.570 110.280 108.800 -0.151 0.000 2.557 364 G HA2 -0.360 3.608 3.960 0.013 0.000 0.292 364 G HA3 -0.360 3.608 3.960 0.013 0.000 0.292 364 G C 0.716 175.528 174.900 -0.146 0.000 1.162 364 G CA 0.381 45.348 45.100 -0.222 0.000 0.964 364 G HN 0.443 nan 8.290 nan 0.000 0.541 365 Q N -0.109 119.639 119.800 -0.087 0.000 2.198 365 Q HA 0.471 4.819 4.340 0.013 0.000 0.209 365 Q C 0.329 176.436 176.000 0.178 0.000 0.848 365 Q CA -0.147 55.657 55.803 0.000 0.000 0.974 365 Q CB 1.385 30.013 28.738 -0.183 0.000 1.115 365 Q HN 0.379 nan 8.270 nan 0.000 0.494 366 V N 2.190 122.180 119.914 0.128 0.000 2.508 366 V HA 0.129 4.257 4.120 0.013 0.000 0.281 366 V C 0.217 176.354 176.094 0.071 0.000 1.041 366 V CA 0.364 62.737 62.300 0.122 0.000 1.016 366 V CB 0.765 32.595 31.823 0.012 0.000 0.984 366 V HN 0.324 nan 8.190 nan 0.000 0.478 367 M N 4.730 124.375 119.600 0.074 0.000 2.472 367 M HA 0.513 5.001 4.480 0.013 0.000 0.331 367 M C -0.538 175.700 176.300 -0.103 0.000 1.170 367 M CA -0.611 54.683 55.300 -0.010 0.000 1.009 367 M CB 1.753 34.309 32.600 -0.072 0.000 1.672 367 M HN 0.933 nan 8.290 nan 0.000 0.453 368 D N -1.375 118.973 120.400 -0.087 0.000 2.523 368 D HA 0.270 4.918 4.640 0.013 0.000 0.236 368 D C 0.341 176.611 176.300 -0.050 0.000 1.094 368 D CA -0.703 53.247 54.000 -0.083 0.000 0.942 368 D CB 1.498 42.269 40.800 -0.049 0.000 1.447 368 D HN 0.677 nan 8.370 nan 0.000 0.479 369 E N -0.112 120.075 120.200 -0.022 0.000 2.085 369 E HA -0.299 4.058 4.350 0.013 0.000 0.194 369 E C 1.607 178.247 176.600 0.066 0.000 0.994 369 E CA 1.422 57.840 56.400 0.031 0.000 0.801 369 E CB 0.117 29.851 29.700 0.058 0.000 0.743 369 E HN 0.576 nan 8.360 nan 0.000 0.453 370 Q N -0.529 119.311 119.800 0.066 0.000 2.050 370 Q HA -0.138 4.209 4.340 0.013 0.000 0.202 370 Q C 2.188 178.248 176.000 0.101 0.000 0.980 370 Q CA 2.033 57.887 55.803 0.084 0.000 0.840 370 Q CB 0.028 28.816 28.738 0.084 0.000 0.898 370 Q HN 0.314 nan 8.270 nan 0.000 0.424 371 T N 0.785 115.409 114.554 0.117 0.000 2.746 371 T HA -0.133 4.224 4.350 0.013 0.000 0.267 371 T C 1.808 176.590 174.700 0.137 0.000 1.039 371 T CA 1.199 63.385 62.100 0.142 0.000 1.142 371 T CB -0.112 68.870 68.868 0.191 0.000 0.866 371 T HN 0.250 nan 8.240 nan 0.000 0.444 372 M N 0.504 120.183 119.600 0.131 0.000 2.086 372 M HA -0.090 4.398 4.480 0.013 0.000 0.261 372 M C 2.486 178.900 176.300 0.191 0.000 1.067 372 M CA 1.304 56.747 55.300 0.239 0.000 1.116 372 M CB -0.681 32.100 32.600 0.301 0.000 1.348 372 M HN 0.084 nan 8.290 nan 0.000 0.407 373 V N 0.427 120.396 119.914 0.092 0.000 2.332 373 V HA -0.315 3.813 4.120 0.013 0.000 0.248 373 V C 2.382 178.462 176.094 -0.024 0.000 1.055 373 V CA 2.172 64.461 62.300 -0.018 0.000 1.038 373 V CB -0.865 30.986 31.823 0.046 0.000 0.651 373 V HN 0.572 nan 8.190 nan 0.000 0.450 374 Q N -0.418 119.420 119.800 0.062 0.000 2.096 374 Q HA -0.269 4.078 4.340 0.013 0.000 0.204 374 Q C 1.966 178.042 176.000 0.127 0.000 0.982 374 Q CA 2.159 58.016 55.803 0.091 0.000 0.850 374 Q CB -0.134 28.673 28.738 0.115 0.000 0.901 374 Q HN 0.621 nan 8.270 nan 0.000 0.422 375 D N 0.299 120.794 120.400 0.159 0.000 2.097 375 D HA -0.124 4.523 4.640 0.013 0.000 0.197 375 D C 1.928 178.200 176.300 -0.047 0.000 0.984 375 D CA 1.069 55.170 54.000 0.168 0.000 0.826 375 D CB -0.164 40.716 40.800 0.134 0.000 0.973 375 D HN 0.349 nan 8.370 nan 0.000 0.460 376 I N 0.644 121.167 120.570 -0.079 0.000 2.226 376 I HA -0.230 3.948 4.170 0.013 0.000 0.245 376 I C 2.393 178.376 176.117 -0.224 0.000 1.100 376 I CA 0.584 61.727 61.300 -0.261 0.000 1.374 376 I CB -0.091 37.621 38.000 -0.480 0.000 1.057 376 I HN -0.004 nan 8.210 nan 0.000 0.413 377 L N 0.081 121.208 121.223 -0.159 0.000 2.017 377 L HA -0.240 4.108 4.340 0.013 0.000 0.208 377 L C 2.544 179.483 176.870 0.115 0.000 1.073 377 L CA 1.479 56.316 54.840 -0.004 0.000 0.745 377 L CB -0.619 41.462 42.059 0.037 0.000 0.894 377 L HN 0.274 nan 8.230 nan 0.000 0.432 378 L N -1.061 120.255 121.223 0.154 0.000 2.083 378 L HA -0.236 4.111 4.340 0.013 0.000 0.209 378 L C 2.652 179.697 176.870 0.291 0.000 1.083 378 L CA 1.245 56.260 54.840 0.292 0.000 0.752 378 L CB -0.326 42.019 42.059 0.476 0.000 0.899 378 L HN 0.305 nan 8.230 nan 0.000 0.433 379 M N -0.598 118.996 119.600 -0.010 0.000 2.086 379 M HA -0.215 4.272 4.480 0.013 0.000 0.261 379 M C 2.289 178.683 176.300 0.156 0.000 1.067 379 M CA 1.840 57.070 55.300 -0.118 0.000 1.116 379 M CB -0.267 32.019 32.600 -0.523 0.000 1.348 379 M HN 0.056 nan 8.290 nan 0.000 0.407 380 K N -0.066 120.338 120.400 0.006 0.000 2.097 380 K HA -0.172 4.156 4.320 0.013 0.000 0.206 380 K C 1.963 178.600 176.600 0.063 0.000 1.049 380 K CA 1.255 57.468 56.287 -0.124 0.000 0.933 380 K CB -0.213 32.037 32.500 -0.417 0.000 0.717 380 K HN 0.439 nan 8.250 nan 0.000 0.442 381 Q N 0.403 120.386 119.800 0.304 0.000 2.291 381 Q HA -0.054 4.294 4.340 0.013 0.000 0.206 381 Q C 0.794 177.105 176.000 0.517 0.000 0.976 381 Q CA 0.798 56.878 55.803 0.462 0.000 0.875 381 Q CB 0.120 29.093 28.738 0.392 0.000 0.927 381 Q HN 0.279 nan 8.270 nan 0.000 0.450 382 N N 0.554 119.515 118.700 0.434 0.000 2.273 382 N HA 0.055 4.802 4.740 0.013 0.000 0.231 382 N C -0.654 174.986 175.510 0.216 0.000 1.134 382 N CA 0.018 53.315 53.050 0.412 0.000 0.856 382 N CB 0.702 39.516 38.487 0.546 0.000 1.068 382 N HN 0.160 nan 8.380 nan 0.000 0.510 383 N N 0.198 119.026 118.700 0.212 0.000 2.776 383 N HA -0.184 4.564 4.740 0.013 0.000 0.250 383 N C -0.864 174.562 175.510 -0.140 0.000 1.112 383 N CA 0.819 53.934 53.050 0.109 0.000 0.733 383 N CB -1.731 36.728 38.487 -0.046 0.000 1.097 383 N HN 0.248 nan 8.380 nan 0.000 0.558 384 F N 1.090 121.074 119.950 0.057 0.000 2.379 384 F HA 0.321 4.855 4.527 0.012 0.000 0.332 384 F C 1.798 177.604 175.800 0.010 0.000 1.096 384 F CA -0.591 57.425 58.000 0.027 0.000 1.105 384 F CB 0.805 39.797 39.000 -0.013 0.000 1.189 384 F HN 0.042 nan 8.300 nan 0.000 0.515 385 N N 0.591 119.416 118.700 0.207 0.000 2.143 385 N HA 0.430 5.178 4.740 0.013 0.000 0.222 385 N C -0.881 174.692 175.510 0.105 0.000 1.264 385 N CA 0.023 53.124 53.050 0.084 0.000 0.897 385 N CB 0.752 39.340 38.487 0.167 0.000 1.092 385 N HN 0.482 nan 8.380 nan 0.000 0.516 386 A N -0.485 122.473 122.820 0.230 0.000 2.604 386 A HA 0.734 5.062 4.320 0.013 0.000 0.295 386 A C -1.815 176.015 177.584 0.410 0.000 1.067 386 A CA -0.687 51.554 52.037 0.339 0.000 0.683 386 A CB 1.830 21.041 19.000 0.352 0.000 1.281 386 A HN 0.224 nan 8.150 nan 0.000 0.407 387 V N 1.402 121.605 119.914 0.482 0.000 2.808 387 V HA 0.795 4.922 4.120 0.013 0.000 0.308 387 V C -0.632 175.600 176.094 0.230 0.000 1.099 387 V CA -0.670 61.854 62.300 0.374 0.000 0.920 387 V CB 1.870 33.847 31.823 0.256 0.000 1.014 387 V HN 1.136 nan 8.190 nan 0.000 0.425 388 R N 4.975 125.438 120.500 -0.061 0.000 2.393 388 R HA 0.494 4.841 4.340 0.013 0.000 0.310 388 R C -0.741 175.414 176.300 -0.242 0.000 0.968 388 R CA -0.464 55.414 56.100 -0.369 0.000 0.867 388 R CB 1.202 31.038 30.300 -0.774 0.000 1.124 388 R HN 0.794 nan 8.270 nan 0.000 0.450 389 C N 4.464 123.650 119.300 -0.190 0.000 2.896 389 C HA 0.125 4.592 4.460 0.013 0.000 0.499 389 C C 0.454 175.155 174.990 -0.481 0.000 1.022 389 C CA -0.432 58.421 59.018 -0.274 0.000 1.127 389 C CB -2.076 25.622 27.740 -0.071 0.000 1.452 389 C HN 0.722 nan 8.230 nan 0.000 0.580 390 S N 1.483 116.773 115.700 -0.683 0.000 2.488 390 S HA 0.190 4.667 4.470 0.013 0.000 0.278 390 S C -0.110 173.579 174.600 -1.519 0.000 1.259 390 S CA 0.068 57.597 58.200 -1.119 0.000 1.061 390 S CB 0.166 62.654 63.200 -1.187 0.000 0.910 390 S HN 0.735 nan 8.310 nan 0.000 0.491 391 H N 3.699 122.177 119.070 -0.988 0.000 2.439 391 H HA 0.328 4.892 4.556 0.012 0.000 0.230 391 H C -1.175 174.054 175.328 -0.166 0.000 1.420 391 H CA -0.338 55.511 56.048 -0.331 0.000 1.305 391 H CB -0.167 29.602 29.762 0.011 0.000 1.667 391 H HN 0.894 nan 8.280 nan 0.000 0.515 392 Y N -2.868 117.538 120.300 0.176 0.000 2.765 392 Y HA 0.360 4.918 4.550 0.013 0.000 0.350 392 Y C -3.301 172.708 175.900 0.181 0.000 1.196 392 Y CA -2.992 55.220 58.100 0.187 0.000 1.119 392 Y CB -0.024 38.552 38.460 0.194 0.000 1.368 392 Y HN -0.075 nan 8.280 nan 0.000 0.463 393 P HA 0.131 nan 4.420 nan 0.000 0.268 393 P C -0.629 176.963 177.300 0.487 0.000 1.205 393 P CA 0.187 63.536 63.100 0.415 0.000 0.771 393 P CB 0.561 32.438 31.700 0.295 0.000 0.858 394 N N 0.546 119.542 118.700 0.493 0.000 2.447 394 N HA 0.088 4.836 4.740 0.013 0.000 0.271 394 N C 0.147 175.902 175.510 0.408 0.000 1.226 394 N CA -0.589 52.669 53.050 0.347 0.000 0.980 394 N CB 0.360 38.841 38.487 -0.009 0.000 1.206 394 N HN 0.603 nan 8.380 nan 0.000 0.558 395 H N 2.077 121.253 119.070 0.178 0.000 3.038 395 H HA -0.007 4.556 4.556 0.013 0.000 0.338 395 H C -1.616 173.882 175.328 0.282 0.000 1.041 395 H CA -0.672 55.467 56.048 0.151 0.000 1.394 395 H CB 1.017 30.832 29.762 0.088 0.000 1.357 395 H HN 0.438 nan 8.280 nan 0.000 0.600 396 P HA -0.194 nan 4.420 nan 0.000 0.216 396 P C 1.813 179.425 177.300 0.521 0.000 1.150 396 P CA 0.681 64.026 63.100 0.407 0.000 0.837 396 P CB 0.230 32.026 31.700 0.160 0.000 0.786 397 L N -0.960 120.640 121.223 0.628 0.000 2.265 397 L HA -0.043 4.304 4.340 0.013 0.000 0.215 397 L C 2.392 179.450 176.870 0.313 0.000 1.117 397 L CA 1.297 56.380 54.840 0.405 0.000 0.782 397 L CB -1.416 40.831 42.059 0.313 0.000 0.914 397 L HN 0.026 nan 8.230 nan 0.000 0.441 398 W N -0.525 120.809 121.300 0.056 0.000 2.318 398 W HA -0.344 4.323 4.660 0.012 0.000 0.313 398 W C 2.067 178.440 176.519 -0.244 0.000 1.221 398 W CA 1.915 59.159 57.345 -0.168 0.000 1.266 398 W CB -0.376 28.888 29.460 -0.328 0.000 1.150 398 W HN 0.259 nan 8.180 nan 0.000 0.496 399 Y N 0.953 121.219 120.300 -0.057 0.000 2.181 399 Y HA -0.239 4.318 4.550 0.012 0.000 0.288 399 Y C 2.871 178.566 175.900 -0.342 0.000 1.146 399 Y CA 2.286 60.120 58.100 -0.442 0.000 1.164 399 Y CB -1.297 36.541 38.460 -1.035 0.000 0.982 399 Y HN -0.203 nan 8.280 nan 0.000 0.515 400 T N 0.739 115.317 114.554 0.041 0.000 2.720 400 T HA -0.190 4.168 4.350 0.013 0.000 0.268 400 T C 2.004 176.753 174.700 0.082 0.000 1.037 400 T CA 1.569 63.767 62.100 0.163 0.000 1.144 400 T CB -0.597 68.409 68.868 0.229 0.000 0.864 400 T HN 0.238 nan 8.240 nan 0.000 0.444 401 L N 0.265 121.493 121.223 0.010 0.000 2.056 401 L HA -0.087 4.261 4.340 0.013 0.000 0.207 401 L C 2.873 179.715 176.870 -0.048 0.000 1.078 401 L CA 0.927 55.791 54.840 0.040 0.000 0.749 401 L CB -0.674 41.361 42.059 -0.040 0.000 0.901 401 L HN 0.368 nan 8.230 nan 0.000 0.433 402 C N -0.298 118.803 119.300 -0.332 0.000 2.435 402 C HA -0.118 4.349 4.460 0.013 0.000 0.279 402 C C 2.387 177.421 174.990 0.073 0.000 1.321 402 C CA 0.266 59.126 59.018 -0.263 0.000 1.752 402 C CB -0.783 26.685 27.740 -0.453 0.000 1.959 402 C HN 0.535 nan 8.230 nan 0.000 0.500 403 D N 0.631 121.087 120.400 0.092 0.000 2.117 403 D HA -0.098 4.549 4.640 0.013 0.000 0.197 403 D C 2.374 178.888 176.300 0.356 0.000 0.987 403 D CA 1.205 55.340 54.000 0.226 0.000 0.829 403 D CB -0.325 40.566 40.800 0.152 0.000 0.961 403 D HN 0.534 nan 8.370 nan 0.000 0.460 404 R N -1.001 119.608 120.500 0.181 0.000 2.100 404 R HA 0.015 4.362 4.340 0.013 0.000 0.220 404 R C 2.079 178.366 176.300 -0.021 0.000 1.091 404 R CA 0.526 56.671 56.100 0.075 0.000 0.986 404 R CB -0.148 30.125 30.300 -0.045 0.000 0.888 404 R HN 0.244 nan 8.270 nan 0.000 0.444 405 Y N -0.017 120.295 120.300 0.019 0.000 2.420 405 Y HA 0.176 4.733 4.550 0.012 0.000 0.292 405 Y C 0.989 176.821 175.900 -0.114 0.000 1.119 405 Y CA 0.951 59.036 58.100 -0.026 0.000 1.229 405 Y CB 0.594 39.011 38.460 -0.071 0.000 1.026 405 Y HN 0.238 nan 8.280 nan 0.000 0.554 406 G N 1.077 109.915 108.800 0.064 0.000 2.830 406 G HA2 -0.137 3.830 3.960 0.013 0.000 0.298 406 G HA3 -0.137 3.830 3.960 0.013 0.000 0.298 406 G C -1.169 173.574 174.900 -0.261 0.000 1.031 406 G CA -0.514 44.487 45.100 -0.164 0.000 1.179 406 G HN 0.163 nan 8.290 nan 0.000 0.527 407 L N 1.273 122.413 121.223 -0.138 0.000 2.455 407 L HA 0.516 4.864 4.340 0.013 0.000 0.264 407 L C -0.316 176.559 176.870 0.008 0.000 0.968 407 L CA -1.410 53.317 54.840 -0.189 0.000 0.827 407 L CB 1.827 43.798 42.059 -0.147 0.000 1.317 407 L HN 0.360 nan 8.230 nan 0.000 0.407 408 Y N 1.759 122.194 120.300 0.226 0.000 2.346 408 Y HA 0.397 4.956 4.550 0.014 0.000 0.330 408 Y C 0.275 176.310 175.900 0.225 0.000 1.178 408 Y CA -0.517 57.753 58.100 0.283 0.000 1.331 408 Y CB 1.028 39.632 38.460 0.240 0.000 1.253 408 Y HN 0.108 nan 8.280 nan 0.000 0.529 409 V N 3.756 123.866 119.914 0.326 0.000 2.604 409 V HA 0.391 4.518 4.120 0.013 0.000 0.305 409 V C -0.690 175.489 176.094 0.143 0.000 1.043 409 V CA -1.088 61.341 62.300 0.215 0.000 0.888 409 V CB 2.063 33.972 31.823 0.144 0.000 0.995 409 V HN 0.463 nan 8.190 nan 0.000 0.429 410 V N 3.332 123.296 119.914 0.084 0.000 2.350 410 V HA 0.335 4.462 4.120 0.013 0.000 0.276 410 V C -0.300 175.827 176.094 0.056 0.000 1.028 410 V CA -0.322 61.979 62.300 0.002 0.000 0.860 410 V CB 1.471 33.191 31.823 -0.173 0.000 0.990 410 V HN 0.878 nan 8.190 nan 0.000 0.453 411 D N 4.194 124.667 120.400 0.121 0.000 2.249 411 D HA 0.328 4.975 4.640 0.013 0.000 0.246 411 D C -0.272 176.217 176.300 0.314 0.000 1.114 411 D CA -0.141 54.027 54.000 0.280 0.000 0.854 411 D CB 1.385 42.394 40.800 0.348 0.000 1.132 411 D HN 0.688 nan 8.370 nan 0.000 0.461 412 E N 1.906 122.257 120.200 0.253 0.000 2.210 412 E HA 0.627 4.984 4.350 0.013 0.000 0.266 412 E C -1.037 175.703 176.600 0.233 0.000 0.883 412 E CA -1.056 55.479 56.400 0.225 0.000 0.761 412 E CB 1.375 31.158 29.700 0.139 0.000 1.156 412 E HN 0.459 nan 8.360 nan 0.000 0.412 413 A N 3.800 126.751 122.820 0.217 0.000 2.445 413 A HA 0.078 4.406 4.320 0.013 0.000 0.242 413 A C 0.295 178.007 177.584 0.213 0.000 1.075 413 A CA -0.265 51.880 52.037 0.180 0.000 0.777 413 A CB 0.171 19.241 19.000 0.116 0.000 1.013 413 A HN 0.699 nan 8.150 nan 0.000 0.493 414 N N 1.220 120.052 118.700 0.221 0.000 3.050 414 N HA 0.263 5.011 4.740 0.013 0.000 0.289 414 N C -1.064 174.577 175.510 0.218 0.000 1.209 414 N CA 0.205 53.418 53.050 0.273 0.000 1.154 414 N CB -0.839 37.809 38.487 0.269 0.000 1.444 414 N HN 0.472 nan 8.380 nan 0.000 0.529 415 I N 0.975 121.669 120.570 0.206 0.000 2.503 415 I HA 0.267 4.444 4.170 0.013 0.000 0.282 415 I C -0.563 175.657 176.117 0.173 0.000 1.059 415 I CA -0.603 60.800 61.300 0.172 0.000 1.081 415 I CB 1.670 39.744 38.000 0.122 0.000 1.210 415 I HN 0.238 nan 8.210 nan 0.000 0.450 416 E N 4.382 124.679 120.200 0.162 0.000 2.274 416 E HA 0.412 4.769 4.350 0.013 0.000 0.269 416 E C -0.600 176.059 176.600 0.099 0.000 0.891 416 E CA -0.503 55.962 56.400 0.108 0.000 0.784 416 E CB 1.651 31.399 29.700 0.080 0.000 1.225 416 E HN 0.580 nan 8.360 nan 0.000 0.412 417 T N 0.674 115.276 114.554 0.079 0.000 3.448 417 T HA 0.170 4.527 4.350 0.013 0.000 0.271 417 T C 0.802 175.535 174.700 0.056 0.000 1.002 417 T CA -0.379 61.790 62.100 0.115 0.000 0.995 417 T CB -0.261 68.665 68.868 0.098 0.000 1.153 417 T HN 0.666 nan 8.240 nan 0.000 0.510 418 H N 1.139 120.110 119.070 -0.166 0.000 2.390 418 H HA -0.029 4.535 4.556 0.013 0.000 0.298 418 H C 2.295 177.493 175.328 -0.216 0.000 1.106 418 H CA 1.281 57.209 56.048 -0.199 0.000 1.297 418 H CB -0.124 29.484 29.762 -0.256 0.000 1.375 418 H HN 0.593 nan 8.280 nan 0.000 0.509 419 G N 0.136 108.792 108.800 -0.240 0.000 2.848 419 G HA2 -0.033 3.935 3.960 0.013 0.000 0.208 419 G HA3 -0.033 3.935 3.960 0.013 0.000 0.208 419 G C 0.465 175.464 174.900 0.165 0.000 1.152 419 G CA -0.181 44.817 45.100 -0.169 0.000 0.789 419 G HN 0.141 nan 8.290 nan 0.000 0.531 420 M N 0.472 120.212 119.600 0.234 0.000 2.226 420 M HA 0.297 4.785 4.480 0.013 0.000 0.324 420 M C -0.343 175.992 176.300 0.058 0.000 1.112 420 M CA -0.247 55.150 55.300 0.162 0.000 1.176 420 M CB 1.400 34.050 32.600 0.083 0.000 1.430 420 M HN -0.212 nan 8.290 nan 0.000 0.462 421 V N 4.197 124.125 119.914 0.023 0.000 2.443 421 V HA 0.377 4.504 4.120 0.013 0.000 0.293 421 V C -1.913 174.172 176.094 -0.014 0.000 1.021 421 V CA -1.340 60.958 62.300 -0.003 0.000 0.848 421 V CB 1.759 33.575 31.823 -0.012 0.000 0.998 421 V HN 0.737 nan 8.190 nan 0.000 0.424 422 P HA 0.212 nan 4.420 nan 0.000 0.274 422 P C 0.929 178.229 177.300 -0.001 0.000 1.260 422 P CA -0.461 62.632 63.100 -0.011 0.000 0.793 422 P CB 1.045 32.739 31.700 -0.010 0.000 1.048 423 M N 0.701 120.304 119.600 0.005 0.000 2.279 423 M HA -0.157 4.330 4.480 0.013 0.000 0.264 423 M C 1.230 177.548 176.300 0.030 0.000 1.062 423 M CA 1.720 57.031 55.300 0.019 0.000 1.099 423 M CB -0.457 32.140 32.600 -0.004 0.000 1.394 423 M HN 0.364 nan 8.290 nan 0.000 0.426 424 N N -0.039 118.680 118.700 0.032 0.000 2.370 424 N HA -0.092 4.656 4.740 0.013 0.000 0.198 424 N C 1.168 176.664 175.510 -0.023 0.000 1.156 424 N CA 0.223 53.297 53.050 0.040 0.000 0.839 424 N CB -0.755 37.776 38.487 0.073 0.000 0.989 424 N HN 0.371 nan 8.380 nan 0.000 0.468 425 R N 0.446 120.918 120.500 -0.047 0.000 2.117 425 R HA -0.013 4.334 4.340 0.013 0.000 0.243 425 R C 1.469 177.678 176.300 -0.151 0.000 1.143 425 R CA 1.363 57.412 56.100 -0.084 0.000 0.968 425 R CB -0.055 30.192 30.300 -0.089 0.000 0.863 425 R HN 0.294 nan 8.270 nan 0.000 0.444 426 L N -0.660 120.414 121.223 -0.249 0.000 2.202 426 L HA 0.001 4.349 4.340 0.013 0.000 0.205 426 L C 2.463 179.210 176.870 -0.204 0.000 1.083 426 L CA 1.293 55.872 54.840 -0.435 0.000 0.790 426 L CB -0.557 40.992 42.059 -0.849 0.000 0.942 426 L HN 0.349 nan 8.230 nan 0.000 0.452 427 T N -4.301 110.162 114.554 -0.152 0.000 3.035 427 T HA -0.157 4.201 4.350 0.013 0.000 0.268 427 T C 1.281 175.899 174.700 -0.137 0.000 1.109 427 T CA 1.165 63.157 62.100 -0.180 0.000 1.119 427 T CB -0.222 68.494 68.868 -0.254 0.000 0.900 427 T HN 0.113 nan 8.240 nan 0.000 0.503 428 D N 1.115 121.470 120.400 -0.075 0.000 2.339 428 D HA 0.090 4.737 4.640 0.013 0.000 0.217 428 D C -0.148 176.137 176.300 -0.026 0.000 1.050 428 D CA -0.102 53.865 54.000 -0.056 0.000 0.856 428 D CB -0.059 40.715 40.800 -0.045 0.000 0.922 428 D HN 0.335 nan 8.370 nan 0.000 0.518 429 D N -0.234 120.168 120.400 0.003 0.000 2.280 429 D HA 0.119 4.767 4.640 0.013 0.000 0.236 429 D C -1.694 174.659 176.300 0.089 0.000 1.082 429 D CA -2.191 51.847 54.000 0.064 0.000 0.834 429 D CB 2.067 42.949 40.800 0.135 0.000 1.100 429 D HN -0.028 nan 8.370 nan 0.000 0.486 430 P HA -0.086 nan 4.420 nan 0.000 0.225 430 P C 0.932 178.235 177.300 0.005 0.000 1.148 430 P CA 0.607 63.716 63.100 0.015 0.000 0.779 430 P CB 0.384 32.082 31.700 -0.003 0.000 0.780 431 R N -1.659 118.852 120.500 0.019 0.000 2.235 431 R HA -0.056 4.292 4.340 0.013 0.000 0.213 431 R C 1.319 177.490 176.300 -0.216 0.000 1.059 431 R CA 1.011 57.054 56.100 -0.095 0.000 0.997 431 R CB -0.451 29.785 30.300 -0.106 0.000 0.884 431 R HN 0.323 nan 8.270 nan 0.000 0.462 432 W N -0.136 121.111 121.300 -0.088 0.000 3.239 432 W HA 0.158 4.825 4.660 0.012 0.000 0.348 432 W C 1.385 177.848 176.519 -0.094 0.000 1.183 432 W CA -0.555 56.737 57.345 -0.087 0.000 1.819 432 W CB 0.074 29.482 29.460 -0.086 0.000 1.091 432 W HN 0.003 nan 8.180 nan 0.000 0.629 433 L N 2.053 123.300 121.223 0.040 0.000 2.056 433 L HA 0.016 4.364 4.340 0.013 0.000 0.207 433 L C -0.720 176.115 176.870 -0.058 0.000 1.078 433 L CA 2.129 56.958 54.840 -0.019 0.000 0.749 433 L CB -1.499 40.538 42.059 -0.036 0.000 0.901 433 L HN -0.247 nan 8.230 nan 0.000 0.433 434 P HA -0.109 nan 4.420 nan 0.000 0.216 434 P C 1.573 178.819 177.300 -0.090 0.000 1.153 434 P CA 1.997 65.035 63.100 -0.103 0.000 0.848 434 P CB -0.164 31.465 31.700 -0.119 0.000 0.787 435 A N -1.011 121.768 122.820 -0.067 0.000 1.898 435 A HA -0.172 4.155 4.320 0.013 0.000 0.216 435 A C 2.211 179.809 177.584 0.023 0.000 1.181 435 A CA 1.759 53.791 52.037 -0.008 0.000 0.620 435 A CB -1.440 17.590 19.000 0.049 0.000 0.819 435 A HN 0.089 nan 8.150 nan 0.000 0.442 436 M N 0.405 120.028 119.600 0.040 0.000 2.117 436 M HA -0.163 4.325 4.480 0.013 0.000 0.262 436 M C 2.553 178.800 176.300 -0.088 0.000 1.065 436 M CA 1.801 57.099 55.300 -0.003 0.000 1.114 436 M CB -0.420 32.159 32.600 -0.035 0.000 1.361 436 M HN 0.670 nan 8.290 nan 0.000 0.408 437 S N 0.320 115.939 115.700 -0.135 0.000 2.370 437 S HA -0.205 4.273 4.470 0.013 0.000 0.226 437 S C 1.639 176.070 174.600 -0.282 0.000 1.033 437 S CA 1.599 59.650 58.200 -0.248 0.000 1.011 437 S CB -0.650 62.383 63.200 -0.279 0.000 0.852 437 S HN 0.530 nan 8.310 nan 0.000 0.457 438 E N 1.024 121.111 120.200 -0.189 0.000 2.153 438 E HA -0.086 4.271 4.350 0.013 0.000 0.194 438 E C 2.457 178.971 176.600 -0.143 0.000 0.988 438 E CA 0.924 57.220 56.400 -0.174 0.000 0.811 438 E CB -0.118 29.518 29.700 -0.107 0.000 0.746 438 E HN 0.584 nan 8.360 nan 0.000 0.466 439 R N 0.051 120.498 120.500 -0.088 0.000 2.092 439 R HA -0.084 4.264 4.340 0.013 0.000 0.231 439 R C 2.307 178.566 176.300 -0.068 0.000 1.119 439 R CA 0.862 56.941 56.100 -0.034 0.000 0.970 439 R CB -0.058 30.262 30.300 0.034 0.000 0.864 439 R HN 0.029 nan 8.270 nan 0.000 0.440 440 V N 0.317 120.145 119.914 -0.142 0.000 2.331 440 V HA -0.181 3.946 4.120 0.013 0.000 0.242 440 V C 2.505 178.417 176.094 -0.303 0.000 1.034 440 V CA 2.163 64.356 62.300 -0.178 0.000 1.027 440 V CB -0.379 31.326 31.823 -0.197 0.000 0.667 440 V HN 0.526 nan 8.190 nan 0.000 0.457 441 T N -1.007 113.239 114.554 -0.513 0.000 2.821 441 T HA -0.198 4.160 4.350 0.013 0.000 0.267 441 T C 1.928 176.458 174.700 -0.284 0.000 1.046 441 T CA 1.188 62.885 62.100 -0.671 0.000 1.139 441 T CB -0.365 67.891 68.868 -1.020 0.000 0.871 441 T HN 0.390 nan 8.240 nan 0.000 0.454 442 R N 0.136 120.501 120.500 -0.224 0.000 2.189 442 R HA 0.234 4.582 4.340 0.013 0.000 0.218 442 R C 2.582 178.802 176.300 -0.133 0.000 1.074 442 R CA 1.191 57.198 56.100 -0.155 0.000 0.991 442 R CB -0.423 29.796 30.300 -0.136 0.000 0.883 442 R HN 0.481 nan 8.270 nan 0.000 0.457 443 M N 0.491 120.020 119.600 -0.119 0.000 2.077 443 M HA -0.133 4.355 4.480 0.013 0.000 0.261 443 M C 1.829 178.050 176.300 -0.132 0.000 1.070 443 M CA 1.653 56.914 55.300 -0.066 0.000 1.125 443 M CB 0.109 32.713 32.600 0.006 0.000 1.339 443 M HN -0.031 nan 8.290 nan 0.000 0.409 444 V N 1.026 120.751 119.914 -0.315 0.000 2.407 444 V HA -0.272 3.855 4.120 0.013 0.000 0.248 444 V C 2.235 178.208 176.094 -0.203 0.000 1.055 444 V CA 1.911 63.883 62.300 -0.547 0.000 1.049 444 V CB -0.919 30.540 31.823 -0.606 0.000 0.662 444 V HN 0.592 nan 8.190 nan 0.000 0.455 445 Q N -0.602 119.121 119.800 -0.129 0.000 2.226 445 Q HA -0.199 4.149 4.340 0.013 0.000 0.204 445 Q C 2.426 178.335 176.000 -0.152 0.000 0.975 445 Q CA 1.311 57.045 55.803 -0.116 0.000 0.866 445 Q CB -0.158 28.536 28.738 -0.074 0.000 0.915 445 Q HN 0.544 nan 8.270 nan 0.000 0.440 446 R N 0.308 120.715 120.500 -0.155 0.000 2.100 446 R HA -0.076 4.271 4.340 0.013 0.000 0.220 446 R C 0.391 176.616 176.300 -0.124 0.000 1.091 446 R CA 1.185 57.173 56.100 -0.187 0.000 0.986 446 R CB 0.488 30.678 30.300 -0.183 0.000 0.888 446 R HN 0.109 nan 8.270 nan 0.000 0.444 447 D N -0.440 119.952 120.400 -0.014 0.000 2.431 447 D HA 0.018 4.666 4.640 0.013 0.000 0.213 447 D C 1.182 177.600 176.300 0.197 0.000 1.130 447 D CA 0.031 54.073 54.000 0.070 0.000 0.834 447 D CB 0.405 41.199 40.800 -0.011 0.000 0.985 447 D HN 0.335 nan 8.370 nan 0.000 0.504 448 R N 0.409 121.026 120.500 0.194 0.000 2.237 448 R HA 0.030 4.378 4.340 0.013 0.000 0.219 448 R C 0.687 176.995 176.300 0.014 0.000 1.080 448 R CA 0.878 57.111 56.100 0.223 0.000 0.995 448 R CB -0.202 30.166 30.300 0.113 0.000 0.875 448 R HN -0.113 nan 8.270 nan 0.000 0.462 449 N N 0.349 118.982 118.700 -0.113 0.000 2.336 449 N HA 0.009 4.757 4.740 0.013 0.000 0.189 449 N C -0.597 174.799 175.510 -0.191 0.000 1.113 449 N CA 0.202 53.160 53.050 -0.154 0.000 0.858 449 N CB 0.117 38.478 38.487 -0.210 0.000 0.970 449 N HN 0.281 nan 8.380 nan 0.000 0.471 450 H N 1.243 120.254 119.070 -0.098 0.000 2.742 450 H HA 0.114 4.677 4.556 0.012 0.000 0.302 450 H C -1.206 173.976 175.328 -0.243 0.000 1.069 450 H CA -1.296 54.678 56.048 -0.123 0.000 1.446 450 H CB 1.551 31.276 29.762 -0.061 0.000 1.462 450 H HN 0.046 nan 8.280 nan 0.000 0.499 451 P HA -0.150 nan 4.420 nan 0.000 0.220 451 P C 1.415 178.219 177.300 -0.826 0.000 1.148 451 P CA 1.063 63.789 63.100 -0.623 0.000 0.803 451 P CB 0.297 31.370 31.700 -1.046 0.000 0.782 452 S N -0.737 114.604 115.700 -0.597 0.000 2.399 452 S HA -0.046 4.432 4.470 0.013 0.000 0.231 452 S C 1.133 175.703 174.600 -0.050 0.000 1.022 452 S CA 0.390 58.424 58.200 -0.276 0.000 0.983 452 S CB -1.513 61.679 63.200 -0.013 0.000 0.803 452 S HN -0.062 nan 8.310 nan 0.000 0.480 453 V N 3.638 123.498 119.914 -0.090 0.000 2.446 453 V HA 0.212 4.340 4.120 0.013 0.000 0.276 453 V C 1.088 177.047 176.094 -0.224 0.000 1.030 453 V CA 0.100 62.314 62.300 -0.143 0.000 1.033 453 V CB 0.330 31.978 31.823 -0.292 0.000 0.993 453 V HN 0.638 nan 8.190 nan 0.000 0.477 454 I N 2.630 123.122 120.570 -0.131 0.000 4.323 454 I HA 0.514 4.692 4.170 0.013 0.000 0.328 454 I C 0.365 176.374 176.117 -0.181 0.000 1.310 454 I CA 0.476 61.710 61.300 -0.110 0.000 1.186 454 I CB 0.498 38.517 38.000 0.033 0.000 1.130 454 I HN 0.317 nan 8.210 nan 0.000 0.411 455 I N 0.296 120.735 120.570 -0.219 0.000 2.656 455 I HA 0.359 4.536 4.170 0.013 0.000 0.292 455 I C -1.547 174.463 176.117 -0.178 0.000 1.144 455 I CA -0.381 60.830 61.300 -0.149 0.000 1.038 455 I CB 2.084 40.092 38.000 0.013 0.000 1.244 455 I HN 0.028 nan 8.210 nan 0.000 0.420 456 W N 4.107 125.458 121.300 0.085 0.000 2.438 456 W HA 0.624 5.290 4.660 0.011 0.000 0.324 456 W C 0.424 177.010 176.519 0.112 0.000 1.119 456 W CA -0.605 56.797 57.345 0.094 0.000 1.221 456 W CB 1.676 31.188 29.460 0.086 0.000 1.253 456 W HN 0.318 nan 8.180 nan 0.000 0.555 457 S N 2.574 118.506 115.700 0.387 0.000 2.513 457 S HA 0.425 4.902 4.470 0.013 0.000 0.299 457 S C 0.184 174.956 174.600 0.287 0.000 1.087 457 S CA -0.726 57.653 58.200 0.299 0.000 1.012 457 S CB 0.892 64.221 63.200 0.215 0.000 1.044 457 S HN 0.579 nan 8.310 nan 0.000 0.485 458 L N 3.836 125.225 121.223 0.276 0.000 2.599 458 L HA 0.358 4.705 4.340 0.013 0.000 0.230 458 L C 1.371 178.309 176.870 0.112 0.000 1.141 458 L CA 0.470 55.386 54.840 0.128 0.000 0.877 458 L CB -1.132 40.882 42.059 -0.076 0.000 1.009 458 L HN 1.010 nan 8.230 nan 0.000 0.447 459 G N 0.124 109.080 108.800 0.260 0.000 2.280 459 G HA2 -0.134 3.833 3.960 0.013 0.000 0.277 459 G HA3 -0.134 3.833 3.960 0.013 0.000 0.277 459 G C -1.616 173.486 174.900 0.338 0.000 1.288 459 G CA -0.526 44.731 45.100 0.261 0.000 1.075 459 G HN 0.187 nan 8.290 nan 0.000 0.480 460 N N 0.054 118.891 118.700 0.230 0.000 2.405 460 N HA 0.474 5.222 4.740 0.013 0.000 0.274 460 N C -0.453 175.010 175.510 -0.079 0.000 1.170 460 N CA 0.165 53.203 53.050 -0.020 0.000 0.848 460 N CB 1.583 39.804 38.487 -0.444 0.000 1.629 460 N HN 0.919 nan 8.380 nan 0.000 0.481 461 E N 0.532 120.583 120.200 -0.248 0.000 2.160 461 E HA -0.176 4.182 4.350 0.013 0.000 0.180 461 E C -0.820 175.679 176.600 -0.168 0.000 1.452 461 E CA 0.817 56.984 56.400 -0.390 0.000 0.683 461 E CB -1.341 27.870 29.700 -0.815 0.000 1.072 461 E HN 0.439 nan 8.360 nan 0.000 0.332 462 S N -0.051 115.696 115.700 0.077 0.000 2.941 462 S HA 0.405 4.883 4.470 0.013 0.000 0.251 462 S C 0.654 175.412 174.600 0.262 0.000 1.029 462 S CA -0.174 58.141 58.200 0.191 0.000 1.062 462 S CB 1.390 64.772 63.200 0.305 0.000 0.977 462 S HN 0.843 nan 8.310 nan 0.000 0.552 463 G N 2.018 110.902 108.800 0.140 0.000 2.601 463 G HA2 -0.270 3.698 3.960 0.013 0.000 0.261 463 G HA3 -0.270 3.698 3.960 0.013 0.000 0.261 463 G C -0.500 174.594 174.900 0.323 0.000 1.289 463 G CA -0.112 45.079 45.100 0.151 0.000 0.920 463 G HN 0.658 nan 8.290 nan 0.000 0.571 464 H N 0.347 119.528 119.070 0.186 0.000 2.727 464 H HA 0.574 5.137 4.556 0.012 0.000 0.330 464 H C 0.360 175.853 175.328 0.275 0.000 0.986 464 H CA -0.196 56.006 56.048 0.257 0.000 1.251 464 H CB 0.677 30.523 29.762 0.141 0.000 1.493 464 H HN 1.007 nan 8.280 nan 0.000 0.515 465 G N 1.577 110.553 108.800 0.292 0.000 2.537 465 G HA2 0.443 4.411 3.960 0.013 0.000 0.308 465 G HA3 0.443 4.411 3.960 0.013 0.000 0.308 465 G C 0.596 175.408 174.900 -0.146 0.000 1.237 465 G CA -0.167 44.902 45.100 -0.052 0.000 0.968 465 G HN 0.698 nan 8.290 nan 0.000 0.481 466 A N 0.477 123.215 122.820 -0.137 0.000 2.024 466 A HA -0.096 4.232 4.320 0.013 0.000 0.220 466 A C 2.109 179.673 177.584 -0.034 0.000 1.164 466 A CA 1.793 53.784 52.037 -0.078 0.000 0.643 466 A CB -0.386 18.585 19.000 -0.049 0.000 0.806 466 A HN 0.533 nan 8.150 nan 0.000 0.451 467 N N -0.288 118.356 118.700 -0.093 0.000 2.223 467 N HA -0.132 4.615 4.740 0.013 0.000 0.185 467 N C 1.358 176.808 175.510 -0.100 0.000 1.016 467 N CA 1.631 54.613 53.050 -0.114 0.000 0.863 467 N CB -0.633 37.746 38.487 -0.180 0.000 0.983 467 N HN 0.786 nan 8.380 nan 0.000 0.429 468 H N 0.189 119.253 119.070 -0.010 0.000 2.389 468 H HA -0.008 4.556 4.556 0.012 0.000 0.299 468 H C 1.170 176.567 175.328 0.116 0.000 1.081 468 H CA 1.138 57.185 56.048 -0.002 0.000 1.345 468 H CB 0.201 29.977 29.762 0.024 0.000 1.393 468 H HN 0.173 nan 8.280 nan 0.000 0.520 469 D N 0.363 120.921 120.400 0.264 0.000 2.117 469 D HA -0.114 4.534 4.640 0.013 0.000 0.197 469 D C 2.277 178.721 176.300 0.239 0.000 0.987 469 D CA 1.145 55.293 54.000 0.247 0.000 0.829 469 D CB -0.360 40.548 40.800 0.181 0.000 0.961 469 D HN 0.425 nan 8.370 nan 0.000 0.460 470 A N 0.691 123.605 122.820 0.156 0.000 1.902 470 A HA -0.097 4.230 4.320 0.013 0.000 0.217 470 A C 2.386 180.077 177.584 0.177 0.000 1.181 470 A CA 0.868 52.989 52.037 0.140 0.000 0.623 470 A CB -0.697 18.343 19.000 0.067 0.000 0.818 470 A HN 0.192 nan 8.150 nan 0.000 0.443 471 L N -2.158 119.154 121.223 0.148 0.000 2.156 471 L HA -0.128 4.220 4.340 0.013 0.000 0.208 471 L C 2.544 179.561 176.870 0.245 0.000 1.095 471 L CA 1.391 56.321 54.840 0.150 0.000 0.770 471 L CB -0.650 41.425 42.059 0.027 0.000 0.914 471 L HN 0.599 nan 8.230 nan 0.000 0.439 472 Y N 1.344 121.729 120.300 0.141 0.000 2.114 472 Y HA -0.355 4.201 4.550 0.010 0.000 0.282 472 Y C 2.804 178.789 175.900 0.142 0.000 1.165 472 Y CA 1.927 60.113 58.100 0.144 0.000 1.148 472 Y CB -0.161 38.384 38.460 0.142 0.000 0.972 472 Y HN -0.021 nan 8.280 nan 0.000 0.504 473 R N -0.344 120.288 120.500 0.219 0.000 2.092 473 R HA -0.188 4.159 4.340 0.013 0.000 0.231 473 R C 2.062 178.384 176.300 0.037 0.000 1.119 473 R CA 1.864 58.016 56.100 0.086 0.000 0.970 473 R CB -1.309 29.108 30.300 0.195 0.000 0.864 473 R HN 0.639 nan 8.270 nan 0.000 0.440 474 W N 0.419 121.684 121.300 -0.058 0.000 2.355 474 W HA -0.125 4.543 4.660 0.013 0.000 0.309 474 W C 1.556 177.988 176.519 -0.144 0.000 1.206 474 W CA 1.857 59.151 57.345 -0.085 0.000 1.284 474 W CB -0.203 29.210 29.460 -0.078 0.000 1.145 474 W HN 0.073 nan 8.180 nan 0.000 0.502 475 I N 0.848 121.451 120.570 0.055 0.000 2.252 475 I HA -0.326 3.851 4.170 0.013 0.000 0.245 475 I C 2.395 178.320 176.117 -0.319 0.000 1.102 475 I CA 1.247 62.407 61.300 -0.234 0.000 1.385 475 I CB -0.667 37.260 38.000 -0.122 0.000 1.064 475 I HN -0.122 nan 8.210 nan 0.000 0.414 476 K N 0.675 120.897 120.400 -0.297 0.000 2.152 476 K HA -0.097 4.231 4.320 0.013 0.000 0.206 476 K C 2.229 178.692 176.600 -0.228 0.000 1.048 476 K CA 1.298 57.425 56.287 -0.268 0.000 0.933 476 K CB -0.411 31.883 32.500 -0.343 0.000 0.721 476 K HN 0.284 nan 8.250 nan 0.000 0.447 477 S N 1.020 116.553 115.700 -0.277 0.000 2.357 477 S HA -0.094 4.383 4.470 0.013 0.000 0.221 477 S C 2.219 176.610 174.600 -0.348 0.000 1.031 477 S CA 1.312 59.350 58.200 -0.270 0.000 0.982 477 S CB -0.344 62.697 63.200 -0.265 0.000 0.853 477 S HN 0.301 nan 8.310 nan 0.000 0.458 478 V N 0.084 119.644 119.914 -0.589 0.000 2.719 478 V HA 0.119 4.246 4.120 0.013 0.000 0.252 478 V C 0.312 176.174 176.094 -0.387 0.000 1.065 478 V CA 1.526 63.460 62.300 -0.611 0.000 1.086 478 V CB -0.337 30.846 31.823 -1.066 0.000 0.700 478 V HN 0.312 nan 8.190 nan 0.000 0.467 479 D N 0.269 120.488 120.400 -0.303 0.000 2.363 479 D HA 0.408 5.056 4.640 0.013 0.000 0.258 479 D C -2.394 173.889 176.300 -0.029 0.000 1.259 479 D CA -1.868 52.064 54.000 -0.114 0.000 0.921 479 D CB 1.685 42.499 40.800 0.023 0.000 1.201 479 D HN 0.183 nan 8.370 nan 0.000 0.524 480 P HA 0.010 nan 4.420 nan 0.000 0.245 480 P C 1.040 178.358 177.300 0.029 0.000 1.212 480 P CA 0.385 63.476 63.100 -0.014 0.000 0.774 480 P CB 0.182 31.866 31.700 -0.025 0.000 0.999 481 S N -1.523 114.206 115.700 0.047 0.000 2.562 481 S HA 0.110 4.587 4.470 0.013 0.000 0.221 481 S C 0.827 175.455 174.600 0.048 0.000 0.975 481 S CA -0.085 58.147 58.200 0.053 0.000 0.918 481 S CB -0.299 62.926 63.200 0.043 0.000 0.772 481 S HN 0.040 nan 8.310 nan 0.000 0.531 482 R N 0.920 121.461 120.500 0.068 0.000 2.673 482 R HA 0.536 4.883 4.340 0.013 0.000 0.281 482 R C -3.254 173.094 176.300 0.080 0.000 0.991 482 R CA -2.137 53.970 56.100 0.011 0.000 0.896 482 R CB 1.562 31.761 30.300 -0.168 0.000 1.201 482 R HN 0.122 nan 8.270 nan 0.000 0.457 483 P HA 0.096 nan 4.420 nan 0.000 0.272 483 P C -0.877 176.523 177.300 0.167 0.000 1.230 483 P CA -0.380 62.782 63.100 0.102 0.000 0.788 483 P CB 0.695 32.443 31.700 0.080 0.000 0.949 484 V N 2.370 122.410 119.914 0.211 0.000 2.555 484 V HA 0.426 4.554 4.120 0.013 0.000 0.302 484 V C 0.191 176.467 176.094 0.303 0.000 1.038 484 V CA -0.302 62.173 62.300 0.293 0.000 0.887 484 V CB 1.254 33.229 31.823 0.253 0.000 0.991 484 V HN 0.614 nan 8.190 nan 0.000 0.434 485 Q N 3.552 123.513 119.800 0.268 0.000 2.458 485 Q HA 0.820 5.168 4.340 0.013 0.000 0.282 485 Q C -1.850 174.307 176.000 0.261 0.000 1.106 485 Q CA -0.939 54.986 55.803 0.204 0.000 0.814 485 Q CB 2.994 31.801 28.738 0.115 0.000 1.425 485 Q HN 0.624 nan 8.270 nan 0.000 0.437 486 Y N -0.019 120.286 120.300 0.008 0.000 2.337 486 Y HA 0.128 4.685 4.550 0.012 0.000 0.318 486 Y C -0.733 175.099 175.900 -0.113 0.000 1.258 486 Y CA -0.773 57.298 58.100 -0.049 0.000 1.132 486 Y CB 1.896 40.311 38.460 -0.074 0.000 1.307 486 Y HN 0.955 nan 8.280 nan 0.000 0.428 487 E N 3.283 122.972 120.200 -0.852 0.000 2.400 487 E HA 0.151 4.509 4.350 0.013 0.000 0.195 487 E C 0.623 176.775 176.600 -0.746 0.000 1.012 487 E CA 0.699 56.721 56.400 -0.629 0.000 0.875 487 E CB 0.309 29.769 29.700 -0.400 0.000 0.859 487 E HN 0.875 nan 8.360 nan 0.000 0.498 488 G N -0.174 107.795 108.800 -1.385 0.000 2.559 488 G HA2 0.262 4.230 3.960 0.013 0.000 0.235 488 G HA3 0.262 4.230 3.960 0.013 0.000 0.235 488 G C 0.785 175.526 174.900 -0.265 0.000 1.266 488 G CA 0.237 44.947 45.100 -0.651 0.000 0.847 488 G HN 0.316 nan 8.290 nan 0.000 0.583 489 G N -0.656 108.095 108.800 -0.081 0.000 2.160 489 G HA2 0.233 4.201 3.960 0.013 0.000 0.251 489 G HA3 0.233 4.201 3.960 0.013 0.000 0.251 489 G C 1.250 176.159 174.900 0.015 0.000 1.008 489 G CA 0.988 46.108 45.100 0.033 0.000 0.724 489 G HN 2.609 nan 8.290 nan 0.000 0.514 490 G N -1.530 107.269 108.800 -0.002 0.000 2.192 490 G HA2 0.432 4.399 3.960 0.013 0.000 0.193 490 G HA3 0.432 4.399 3.960 0.013 0.000 0.193 490 G C 1.038 176.060 174.900 0.203 0.000 0.999 490 G CA 1.296 46.459 45.100 0.106 0.000 0.659 490 G HN 2.362 nan 8.290 nan 0.000 0.503 491 A N -0.316 122.505 122.820 0.000 0.000 3.396 491 A HA -0.092 4.235 4.320 0.013 0.000 0.267 491 A C 1.038 178.557 177.584 -0.109 0.000 1.139 491 A CA 2.587 54.561 52.037 -0.105 0.000 1.115 491 A CB -1.777 17.137 19.000 -0.142 0.000 1.133 491 A HN 2.126 nan 8.150 nan 0.000 0.920 492 D N -0.966 119.454 120.400 0.033 0.000 2.785 492 D HA 0.322 4.969 4.640 0.013 0.000 0.324 492 D C 0.364 176.667 176.300 0.006 0.000 1.523 492 D CA 0.793 54.818 54.000 0.043 0.000 0.789 492 D CB -1.128 39.842 40.800 0.283 0.000 1.171 492 D HN 0.822 nan 8.370 nan 0.000 0.447 493 T N -2.506 111.981 114.554 -0.111 0.000 2.732 493 T HA 0.239 4.597 4.350 0.013 0.000 0.287 493 T C 1.584 176.150 174.700 -0.222 0.000 0.993 493 T CA 0.387 62.358 62.100 -0.216 0.000 0.966 493 T CB 0.905 69.400 68.868 -0.622 0.000 1.047 493 T HN 0.077 nan 8.240 nan 0.000 0.527 494 T N -2.555 111.871 114.554 -0.213 0.000 3.163 494 T HA 0.223 4.580 4.350 0.013 0.000 0.260 494 T C 1.468 175.912 174.700 -0.427 0.000 1.156 494 T CA 0.246 62.225 62.100 -0.202 0.000 1.072 494 T CB -0.493 68.347 68.868 -0.047 0.000 0.937 494 T HN 0.831 nan 8.240 nan 0.000 0.528 495 A N 0.488 123.063 122.820 -0.408 0.000 2.507 495 A HA 0.525 4.853 4.320 0.013 0.000 0.270 495 A C 0.762 178.181 177.584 -0.274 0.000 1.318 495 A CA -0.339 51.438 52.037 -0.433 0.000 0.924 495 A CB 0.011 18.998 19.000 -0.022 0.000 1.061 495 A HN 0.425 nan 8.150 nan 0.000 0.516 496 T N -1.444 112.956 114.554 -0.258 0.000 2.952 496 T HA 0.354 4.712 4.350 0.013 0.000 0.305 496 T C -0.676 174.048 174.700 0.040 0.000 1.064 496 T CA -0.442 61.661 62.100 0.005 0.000 1.008 496 T CB 1.238 70.093 68.868 -0.021 0.000 1.078 496 T HN 0.086 nan 8.240 nan 0.000 0.459 497 D N 2.860 123.369 120.400 0.181 0.000 2.349 497 D HA 0.260 4.908 4.640 0.013 0.000 0.215 497 D C 0.328 176.661 176.300 0.055 0.000 1.016 497 D CA 0.710 54.797 54.000 0.145 0.000 0.870 497 D CB 0.397 41.312 40.800 0.191 0.000 0.917 497 D HN 0.537 nan 8.370 nan 0.000 0.524 498 I N 1.002 121.585 120.570 0.021 0.000 2.533 498 I HA 0.244 4.422 4.170 0.013 0.000 0.290 498 I C -0.204 175.847 176.117 -0.110 0.000 1.056 498 I CA -0.857 60.421 61.300 -0.037 0.000 1.057 498 I CB 2.793 40.785 38.000 -0.014 0.000 1.240 498 I HN -0.353 nan 8.210 nan 0.000 0.423 499 I N 5.833 126.292 120.570 -0.185 0.000 2.517 499 I HA 0.032 4.210 4.170 0.013 0.000 0.285 499 I C 0.192 176.098 176.117 -0.352 0.000 1.106 499 I CA 0.093 61.187 61.300 -0.344 0.000 1.402 499 I CB 0.193 37.881 38.000 -0.520 0.000 1.399 499 I HN 0.693 nan 8.210 nan 0.000 0.535 500 C N 5.514 124.619 119.300 -0.326 0.000 3.401 500 C HA 0.453 4.921 4.460 0.013 0.000 0.204 500 C C -2.227 172.624 174.990 -0.231 0.000 1.522 500 C CA -2.268 56.615 59.018 -0.225 0.000 1.409 500 C CB -0.925 26.744 27.740 -0.118 0.000 1.967 500 C HN 0.410 nan 8.230 nan 0.000 0.496 501 P HA 0.291 nan 4.420 nan 0.000 0.272 501 P C -0.380 176.866 177.300 -0.091 0.000 1.240 501 P CA 0.384 63.377 63.100 -0.178 0.000 0.791 501 P CB 0.714 32.311 31.700 -0.172 0.000 0.978 502 M N 0.316 119.880 119.600 -0.059 0.000 2.167 502 M HA 0.443 4.931 4.480 0.013 0.000 0.333 502 M C -0.834 175.450 176.300 -0.026 0.000 1.030 502 M CA -0.666 54.489 55.300 -0.242 0.000 0.963 502 M CB 1.123 33.516 32.600 -0.346 0.000 1.589 502 M HN 0.257 nan 8.290 nan 0.000 0.431 503 Y N -0.271 120.202 120.300 0.289 0.000 4.490 503 Y HA -0.216 4.342 4.550 0.013 0.000 0.233 503 Y C 0.578 176.664 175.900 0.310 0.000 1.101 503 Y CA 0.561 58.843 58.100 0.303 0.000 2.010 503 Y CB -2.479 36.146 38.460 0.275 0.000 1.622 503 Y HN 0.981 nan 8.280 nan 0.000 0.675 504 A N 1.084 124.137 122.820 0.388 0.000 2.462 504 A HA 0.521 4.849 4.320 0.013 0.000 0.243 504 A C 0.840 178.656 177.584 0.388 0.000 1.076 504 A CA -0.349 51.918 52.037 0.382 0.000 0.773 504 A CB 0.355 19.622 19.000 0.445 0.000 1.010 504 A HN 0.409 nan 8.150 nan 0.000 0.493 505 R N 1.375 122.026 120.500 0.252 0.000 2.546 505 R HA 0.344 4.692 4.340 0.013 0.000 0.266 505 R C 0.999 177.268 176.300 -0.051 0.000 1.086 505 R CA -0.727 55.447 56.100 0.123 0.000 1.160 505 R CB 0.579 30.922 30.300 0.071 0.000 1.138 505 R HN 0.481 nan 8.270 nan 0.000 0.567 506 V N 0.560 120.281 119.914 -0.321 0.000 2.323 506 V HA -0.177 3.950 4.120 0.013 0.000 0.244 506 V C 0.897 176.871 176.094 -0.200 0.000 1.041 506 V CA 1.837 63.908 62.300 -0.381 0.000 1.025 506 V CB -0.252 31.215 31.823 -0.594 0.000 0.656 506 V HN 0.737 nan 8.190 nan 0.000 0.451 507 D N -1.452 118.864 120.400 -0.140 0.000 2.479 507 D HA 0.108 4.755 4.640 0.013 0.000 0.221 507 D C 0.854 177.135 176.300 -0.032 0.000 1.104 507 D CA 0.057 54.009 54.000 -0.079 0.000 0.849 507 D CB 0.810 41.569 40.800 -0.070 0.000 1.072 507 D HN 0.473 nan 8.370 nan 0.000 0.502 508 E N 1.913 122.100 120.200 -0.022 0.000 2.146 508 E HA 0.121 4.479 4.350 0.013 0.000 0.282 508 E C -0.847 175.754 176.600 0.002 0.000 0.989 508 E CA -0.586 55.810 56.400 -0.006 0.000 0.799 508 E CB 1.028 30.726 29.700 -0.005 0.000 1.088 508 E HN -0.189 nan 8.360 nan 0.000 0.397 509 D N 3.573 123.977 120.400 0.007 0.000 2.313 509 D HA 0.128 4.776 4.640 0.013 0.000 0.247 509 D C -0.560 175.640 176.300 -0.167 0.000 1.094 509 D CA 0.216 54.218 54.000 0.005 0.000 0.925 509 D CB 1.155 42.038 40.800 0.137 0.000 1.188 509 D HN 0.423 nan 8.370 nan 0.000 0.430 510 Q N 1.440 121.011 119.800 -0.381 0.000 2.771 510 Q HA 0.240 4.588 4.340 0.013 0.000 0.247 510 Q C -2.254 173.073 176.000 -1.122 0.000 0.986 510 Q CA -1.495 53.872 55.803 -0.727 0.000 0.713 510 Q CB 2.468 30.730 28.738 -0.793 0.000 1.241 510 Q HN 0.168 nan 8.270 nan 0.000 0.488 511 P HA 0.037 nan 4.420 nan 0.000 0.225 511 P C -0.673 176.313 177.300 -0.523 0.000 1.768 511 P CA -0.221 62.425 63.100 -0.756 0.000 0.943 511 P CB -0.431 31.042 31.700 -0.379 0.000 1.936 512 F N 1.949 121.719 119.950 -0.301 0.000 2.595 512 F HA 0.147 4.681 4.527 0.012 0.000 0.359 512 F C -1.317 174.369 175.800 -0.190 0.000 1.147 512 F CA -2.153 55.731 58.000 -0.194 0.000 1.341 512 F CB -1.168 37.731 39.000 -0.167 0.000 1.104 512 F HN 0.099 nan 8.300 nan 0.000 0.603 513 P HA 0.259 nan 4.420 nan 0.000 0.271 513 P C 0.305 177.615 177.300 0.015 0.000 1.216 513 P CA 1.085 64.196 63.100 0.018 0.000 0.776 513 P CB 1.134 32.845 31.700 0.018 0.000 0.881 514 A N 2.720 125.542 122.820 0.003 0.000 2.070 514 A HA -0.240 4.087 4.320 0.013 0.000 0.231 514 A C 0.704 178.292 177.584 0.007 0.000 0.501 514 A CA 1.922 53.966 52.037 0.012 0.000 1.119 514 A CB -2.694 16.314 19.000 0.014 0.000 1.430 514 A HN 0.694 nan 8.150 nan 0.000 0.706 515 V N -2.765 117.149 119.914 0.000 0.000 2.454 515 V HA 0.577 4.705 4.120 0.013 0.000 0.255 515 V C -2.399 173.684 176.094 -0.018 0.000 1.009 515 V CA -1.278 61.024 62.300 0.003 0.000 1.149 515 V CB 0.602 32.434 31.823 0.014 0.000 1.418 515 V HN 0.504 nan 8.190 nan 0.000 0.567 516 P HA 0.274 nan 4.420 nan 0.000 0.272 516 P C -0.607 176.257 177.300 -0.728 0.000 1.223 516 P CA 0.065 62.768 63.100 -0.661 0.000 0.784 516 P CB 1.029 31.882 31.700 -1.412 0.000 0.923 517 K N 2.146 122.161 120.400 -0.641 0.000 2.423 517 K HA 0.199 4.527 4.320 0.013 0.000 0.234 517 K C -0.387 175.940 176.600 -0.455 0.000 1.051 517 K CA -0.281 55.837 56.287 -0.281 0.000 1.021 517 K CB 0.307 32.899 32.500 0.154 0.000 1.474 517 K HN 0.468 nan 8.250 nan 0.000 0.474 518 W N 1.384 122.347 121.300 -0.561 0.000 2.112 518 W HA 0.009 4.677 4.660 0.014 0.000 0.349 518 W C 1.375 177.896 176.519 0.002 0.000 1.289 518 W CA -0.406 56.711 57.345 -0.380 0.000 1.256 518 W CB 0.398 29.454 29.460 -0.673 0.000 1.148 518 W HN 0.366 nan 8.180 nan 0.000 0.590 519 S N 3.188 119.045 115.700 0.261 0.000 2.558 519 S HA -0.093 4.385 4.470 0.013 0.000 0.293 519 S C 1.169 175.920 174.600 0.250 0.000 1.292 519 S CA -0.101 58.198 58.200 0.164 0.000 1.063 519 S CB 0.170 63.413 63.200 0.072 0.000 0.831 519 S HN 0.504 nan 8.310 nan 0.000 0.499 520 I N 2.053 122.734 120.570 0.185 0.000 2.361 520 I HA -0.117 4.061 4.170 0.013 0.000 0.251 520 I C 2.037 178.180 176.117 0.042 0.000 1.133 520 I CA 1.170 62.582 61.300 0.187 0.000 1.413 520 I CB -0.417 37.634 38.000 0.084 0.000 1.073 520 I HN 0.597 nan 8.210 nan 0.000 0.424 521 K N 1.575 121.895 120.400 -0.134 0.000 2.097 521 K HA -0.151 4.176 4.320 0.013 0.000 0.205 521 K C 2.292 178.871 176.600 -0.036 0.000 1.050 521 K CA 1.552 57.667 56.287 -0.288 0.000 0.938 521 K CB -0.167 32.065 32.500 -0.447 0.000 0.718 521 K HN 0.369 nan 8.250 nan 0.000 0.442 522 K N 0.129 120.534 120.400 0.009 0.000 2.103 522 K HA -0.162 4.166 4.320 0.013 0.000 0.204 522 K C 1.881 178.484 176.600 0.005 0.000 1.052 522 K CA 0.781 57.056 56.287 -0.020 0.000 0.945 522 K CB -0.046 32.408 32.500 -0.076 0.000 0.722 522 K HN 0.207 nan 8.250 nan 0.000 0.443 523 W N 2.117 123.385 121.300 -0.052 0.000 2.338 523 W HA -0.162 4.504 4.660 0.010 0.000 0.304 523 W C 1.563 178.058 176.519 -0.041 0.000 1.212 523 W CA 1.037 58.365 57.345 -0.028 0.000 1.264 523 W CB -0.577 28.954 29.460 0.117 0.000 1.142 523 W HN 0.072 nan 8.180 nan 0.000 0.512 524 L N 0.858 122.233 121.223 0.254 0.000 2.127 524 L HA -0.232 4.115 4.340 0.013 0.000 0.211 524 L C 2.168 179.104 176.870 0.110 0.000 1.089 524 L CA 1.929 56.856 54.840 0.144 0.000 0.757 524 L CB -0.915 41.215 42.059 0.117 0.000 0.899 524 L HN -0.014 nan 8.230 nan 0.000 0.434 525 S N -1.481 114.266 115.700 0.078 0.000 2.568 525 S HA 0.276 4.754 4.470 0.013 0.000 0.232 525 S C 0.511 175.099 174.600 -0.020 0.000 0.975 525 S CA -0.555 57.663 58.200 0.031 0.000 0.949 525 S CB -0.371 62.847 63.200 0.030 0.000 0.829 525 S HN 0.137 nan 8.310 nan 0.000 0.479 526 L N 1.990 123.191 121.223 -0.036 0.000 2.506 526 L HA 0.232 4.580 4.340 0.013 0.000 0.281 526 L C -2.240 174.601 176.870 -0.048 0.000 1.228 526 L CA -1.741 53.032 54.840 -0.113 0.000 0.850 526 L CB -0.317 41.652 42.059 -0.151 0.000 1.110 526 L HN 0.014 nan 8.230 nan 0.000 0.496 527 P HA -0.034 nan 4.420 nan 0.000 0.258 527 P C 0.719 178.015 177.300 -0.006 0.000 1.172 527 P CA 1.145 64.226 63.100 -0.033 0.000 0.762 527 P CB 0.487 32.163 31.700 -0.041 0.000 0.764 528 G N 1.922 110.725 108.800 0.004 0.000 2.225 528 G HA2 -0.262 3.705 3.960 0.013 0.000 0.254 528 G HA3 -0.262 3.705 3.960 0.013 0.000 0.254 528 G C 0.255 175.173 174.900 0.031 0.000 0.988 528 G CA 0.040 45.151 45.100 0.018 0.000 0.625 528 G HN 0.605 nan 8.290 nan 0.000 0.527 529 E N 1.116 121.339 120.200 0.039 0.000 2.313 529 E HA 0.617 4.974 4.350 0.013 0.000 0.276 529 E C 1.291 177.918 176.600 0.045 0.000 1.031 529 E CA 0.618 57.054 56.400 0.059 0.000 0.857 529 E CB 0.841 30.602 29.700 0.102 0.000 1.040 529 E HN 0.513 nan 8.360 nan 0.000 0.408 530 T N 0.660 115.236 114.554 0.037 0.000 3.130 530 T HA 0.338 4.696 4.350 0.013 0.000 0.288 530 T C 0.573 175.284 174.700 0.018 0.000 0.936 530 T CA -0.473 61.643 62.100 0.027 0.000 0.897 530 T CB 0.095 68.978 68.868 0.025 0.000 1.178 530 T HN 0.237 nan 8.240 nan 0.000 0.543 531 R N 2.257 122.764 120.500 0.010 0.000 2.637 531 R HA 0.473 4.821 4.340 0.013 0.000 0.269 531 R C -2.567 173.716 176.300 -0.030 0.000 1.089 531 R CA -1.906 54.190 56.100 -0.008 0.000 1.177 531 R CB 0.100 30.388 30.300 -0.020 0.000 1.091 531 R HN 0.207 nan 8.270 nan 0.000 0.540 532 P HA 0.091 nan 4.420 nan 0.000 0.274 532 P C -1.069 176.164 177.300 -0.112 0.000 1.237 532 P CA -0.137 62.924 63.100 -0.065 0.000 0.793 532 P CB 0.673 32.335 31.700 -0.064 0.000 0.977 533 L N 2.597 123.734 121.223 -0.143 0.000 2.349 533 L HA 0.578 4.926 4.340 0.013 0.000 0.278 533 L C -1.000 175.734 176.870 -0.227 0.000 0.996 533 L CA -0.639 54.077 54.840 -0.207 0.000 0.825 533 L CB 0.597 42.529 42.059 -0.212 0.000 1.243 533 L HN 0.231 nan 8.230 nan 0.000 0.412 534 I N 5.723 126.165 120.570 -0.213 0.000 2.497 534 I HA 0.257 4.435 4.170 0.013 0.000 0.284 534 I C -0.744 175.292 176.117 -0.135 0.000 1.060 534 I CA -0.522 60.640 61.300 -0.230 0.000 1.071 534 I CB 1.959 39.876 38.000 -0.139 0.000 1.216 534 I HN 0.480 nan 8.210 nan 0.000 0.442 535 L N 5.479 126.597 121.223 -0.176 0.000 2.455 535 L HA 0.027 4.374 4.340 0.013 0.000 0.272 535 L C 1.483 178.443 176.870 0.149 0.000 1.174 535 L CA -0.072 54.738 54.840 -0.050 0.000 0.869 535 L CB 0.677 42.702 42.059 -0.057 0.000 1.130 535 L HN 0.859 nan 8.230 nan 0.000 0.474 536 C N 0.614 119.977 119.300 0.105 0.000 2.468 536 C HA 0.127 4.595 4.460 0.013 0.000 0.277 536 C C 0.702 175.844 174.990 0.253 0.000 1.400 536 C CA -0.197 58.929 59.018 0.180 0.000 1.770 536 C CB -0.925 26.825 27.740 0.017 0.000 1.905 536 C HN 0.806 nan 8.230 nan 0.000 0.519 537 Q N -0.335 119.544 119.800 0.132 0.000 2.284 537 Q HA 0.617 4.964 4.340 0.013 0.000 0.269 537 Q C -1.499 174.507 176.000 0.009 0.000 1.026 537 Q CA -0.342 55.536 55.803 0.126 0.000 0.831 537 Q CB 2.476 31.066 28.738 -0.246 0.000 1.322 537 Q HN 0.694 nan 8.270 nan 0.000 0.419 538 Y N -0.226 120.120 120.300 0.076 0.000 2.638 538 Y HA 0.804 5.362 4.550 0.014 0.000 0.335 538 Y C -0.755 175.321 175.900 0.293 0.000 1.155 538 Y CA -0.750 57.383 58.100 0.057 0.000 1.046 538 Y CB 0.651 38.970 38.460 -0.235 0.000 1.303 538 Y HN 0.952 nan 8.280 nan 0.000 0.460 539 A N 1.443 124.364 122.820 0.168 0.000 2.490 539 A HA 0.078 4.406 4.320 0.013 0.000 0.684 539 A C -1.213 176.616 177.584 0.409 0.000 0.174 539 A CA 0.639 52.786 52.037 0.182 0.000 0.057 539 A CB -1.448 17.576 19.000 0.040 0.000 3.963 539 A HN 1.835 nan 8.150 nan 0.000 0.547 540 H N 0.706 119.895 119.070 0.198 0.000 3.239 540 H HA 0.517 5.081 4.556 0.013 0.000 0.320 540 H C 0.009 175.392 175.328 0.091 0.000 1.074 540 H CA 0.282 56.493 56.048 0.270 0.000 1.553 540 H CB 0.810 30.614 29.762 0.070 0.000 1.752 540 H HN 1.611 nan 8.280 nan 0.000 0.513 541 A N 6.345 129.065 122.820 -0.166 0.000 3.117 541 A HA 0.154 4.482 4.320 0.013 0.000 0.255 541 A C 0.592 177.971 177.584 -0.342 0.000 1.583 541 A CA -0.404 51.493 52.037 -0.233 0.000 1.234 541 A CB -0.696 18.167 19.000 -0.229 0.000 1.076 541 A HN 0.705 nan 8.150 nan 0.000 0.653 542 M N 1.737 121.152 119.600 -0.308 0.000 2.077 542 M HA 0.469 4.956 4.480 0.013 0.000 0.348 542 M C 0.931 176.990 176.300 -0.401 0.000 1.252 542 M CA 1.127 56.234 55.300 -0.321 0.000 1.096 542 M CB -0.023 32.491 32.600 -0.145 0.000 1.568 542 M HN 0.880 nan 8.290 nan 0.000 0.456 543 G N 4.216 112.700 108.800 -0.528 0.000 2.566 543 G HA2 -0.337 3.630 3.960 0.013 0.000 0.280 543 G HA3 -0.337 3.630 3.960 0.013 0.000 0.280 543 G C -0.256 174.037 174.900 -1.012 0.000 1.225 543 G CA -0.008 44.633 45.100 -0.765 0.000 0.966 543 G HN 0.836 nan 8.290 nan 0.000 0.560 544 N N 1.157 119.164 118.700 -1.155 0.000 2.421 544 N HA 0.502 5.250 4.740 0.013 0.000 0.260 544 N C 0.052 175.268 175.510 -0.491 0.000 1.173 544 N CA 1.067 53.597 53.050 -0.868 0.000 0.960 544 N CB 0.548 38.559 38.487 -0.792 0.000 1.273 544 N HN 0.850 nan 8.380 nan 0.000 0.497 545 S N 2.211 117.701 115.700 -0.351 0.000 2.973 545 S HA 0.587 5.065 4.470 0.013 0.000 0.317 545 S C -0.112 174.399 174.600 -0.149 0.000 1.196 545 S CA -0.326 57.735 58.200 -0.231 0.000 0.894 545 S CB 0.030 63.104 63.200 -0.210 0.000 1.292 545 S HN 0.367 nan 8.310 nan 0.000 0.614 546 L N 0.100 121.279 121.223 -0.073 0.000 4.800 546 L HA -0.059 4.289 4.340 0.013 0.000 0.412 546 L C 0.552 177.466 176.870 0.073 0.000 1.063 546 L CA 0.919 55.754 54.840 -0.007 0.000 1.114 546 L CB -1.770 40.199 42.059 -0.150 0.000 2.089 546 L HN 0.749 nan 8.230 nan 0.000 0.686 547 G N -0.849 107.958 108.800 0.012 0.000 2.380 547 G HA2 0.461 4.428 3.960 0.013 0.000 0.242 547 G HA3 0.461 4.428 3.960 0.013 0.000 0.242 547 G C 1.246 176.200 174.900 0.090 0.000 1.298 547 G CA 0.149 45.240 45.100 -0.015 0.000 0.878 547 G HN 1.406 nan 8.290 nan 0.000 0.542 548 G N 1.448 110.297 108.800 0.082 0.000 2.176 548 G HA2 -0.318 3.650 3.960 0.013 0.000 0.253 548 G HA3 -0.318 3.650 3.960 0.013 0.000 0.253 548 G C 1.039 176.128 174.900 0.317 0.000 0.979 548 G CA 0.796 45.999 45.100 0.171 0.000 0.641 548 G HN 0.809 nan 8.290 nan 0.000 0.530 549 F N 1.899 121.977 119.950 0.213 0.000 2.161 549 F HA 0.126 4.661 4.527 0.013 0.000 0.300 549 F C 2.653 178.675 175.800 0.370 0.000 1.089 549 F CA 2.462 60.666 58.000 0.339 0.000 1.282 549 F CB -0.407 38.734 39.000 0.235 0.000 1.010 549 F HN 0.352 nan 8.300 nan 0.000 0.485 550 A N -0.397 122.601 122.820 0.295 0.000 2.019 550 A HA -0.222 4.106 4.320 0.013 0.000 0.219 550 A C 2.277 179.892 177.584 0.051 0.000 1.164 550 A CA 1.643 53.786 52.037 0.177 0.000 0.644 550 A CB -0.780 18.326 19.000 0.176 0.000 0.805 550 A HN 0.446 nan 8.150 nan 0.000 0.449 551 K N -1.592 118.815 120.400 0.012 0.000 2.097 551 K HA -0.182 4.145 4.320 0.013 0.000 0.206 551 K C 1.660 178.036 176.600 -0.374 0.000 1.049 551 K CA 1.632 57.836 56.287 -0.139 0.000 0.933 551 K CB -0.308 32.111 32.500 -0.135 0.000 0.717 551 K HN 0.565 nan 8.250 nan 0.000 0.442 552 Y N -0.962 119.060 120.300 -0.465 0.000 2.163 552 Y HA -0.212 4.345 4.550 0.012 0.000 0.288 552 Y C 1.913 176.855 175.900 -1.597 0.000 1.136 552 Y CA 1.530 58.984 58.100 -1.076 0.000 1.147 552 Y CB -0.318 37.460 38.460 -1.138 0.000 0.987 552 Y HN 0.166 nan 8.280 nan 0.000 0.509 553 W N -0.039 120.845 121.300 -0.693 0.000 2.402 553 W HA -0.161 4.507 4.660 0.014 0.000 0.286 553 W C 2.587 178.943 176.519 -0.271 0.000 1.221 553 W CA 1.319 58.389 57.345 -0.458 0.000 1.257 553 W CB -0.434 28.855 29.460 -0.285 0.000 1.120 553 W HN 0.040 nan 8.180 nan 0.000 0.551 554 Q N 0.817 120.543 119.800 -0.123 0.000 2.084 554 Q HA -0.159 4.188 4.340 0.013 0.000 0.202 554 Q C 2.178 178.118 176.000 -0.100 0.000 0.978 554 Q CA 1.999 57.764 55.803 -0.063 0.000 0.844 554 Q CB -0.532 28.179 28.738 -0.045 0.000 0.898 554 Q HN 0.268 nan 8.270 nan 0.000 0.426 555 A N 0.199 122.864 122.820 -0.257 0.000 1.898 555 A HA -0.132 4.195 4.320 0.013 0.000 0.216 555 A C 1.834 179.383 177.584 -0.059 0.000 1.181 555 A CA 1.214 53.129 52.037 -0.204 0.000 0.620 555 A CB -0.818 17.929 19.000 -0.421 0.000 0.819 555 A HN 0.366 nan 8.150 nan 0.000 0.442 556 F N 0.204 119.974 119.950 -0.300 0.000 2.126 556 F HA -0.117 4.418 4.527 0.013 0.000 0.299 556 F C 2.497 178.200 175.800 -0.161 0.000 1.096 556 F CA 1.296 59.092 58.000 -0.339 0.000 1.255 556 F CB -0.841 37.731 39.000 -0.713 0.000 0.997 556 F HN 0.177 nan 8.300 nan 0.000 0.479 557 R N -0.296 120.257 120.500 0.089 0.000 2.148 557 R HA -0.127 4.220 4.340 0.013 0.000 0.223 557 R C 2.119 178.455 176.300 0.059 0.000 1.088 557 R CA 0.955 57.094 56.100 0.066 0.000 0.985 557 R CB -0.380 29.955 30.300 0.059 0.000 0.880 557 R HN 0.388 nan 8.270 nan 0.000 0.451 558 Q N -0.297 119.564 119.800 0.103 0.000 2.137 558 Q HA -0.053 4.295 4.340 0.013 0.000 0.198 558 Q C -0.440 175.596 176.000 0.061 0.000 0.960 558 Q CA 0.954 56.810 55.803 0.090 0.000 0.847 558 Q CB 0.371 29.198 28.738 0.149 0.000 0.915 558 Q HN 0.185 nan 8.270 nan 0.000 0.448 559 Y N 0.015 120.296 120.300 -0.031 0.000 2.331 559 Y HA 0.265 4.822 4.550 0.012 0.000 0.338 559 Y C -1.784 174.092 175.900 -0.040 0.000 0.976 559 Y CA -2.751 55.331 58.100 -0.030 0.000 1.137 559 Y CB 1.544 39.990 38.460 -0.023 0.000 1.172 559 Y HN 0.112 nan 8.280 nan 0.000 0.478 560 P HA -0.173 nan 4.420 nan 0.000 0.215 560 P C 1.105 178.409 177.300 0.006 0.000 1.157 560 P CA 1.908 65.012 63.100 0.006 0.000 0.874 560 P CB 0.301 31.989 31.700 -0.020 0.000 0.790 561 R N -1.156 119.365 120.500 0.036 0.000 2.280 561 R HA 0.061 4.409 4.340 0.013 0.000 0.207 561 R C 0.520 176.803 176.300 -0.029 0.000 1.043 561 R CA 0.205 56.307 56.100 0.005 0.000 1.006 561 R CB -0.574 29.739 30.300 0.021 0.000 0.885 561 R HN 0.246 nan 8.270 nan 0.000 0.467 562 L N 1.990 123.216 121.223 0.005 0.000 2.312 562 L HA 0.106 4.453 4.340 0.013 0.000 0.287 562 L C 0.557 177.287 176.870 -0.234 0.000 1.091 562 L CA 0.192 54.985 54.840 -0.078 0.000 0.846 562 L CB 1.053 43.140 42.059 0.047 0.000 1.219 562 L HN 0.095 nan 8.230 nan 0.000 0.439 563 Q N 2.913 122.497 119.800 -0.359 0.000 2.201 563 Q HA 0.322 4.669 4.340 0.013 0.000 0.236 563 Q C 0.785 176.365 176.000 -0.700 0.000 0.857 563 Q CA 0.067 55.620 55.803 -0.418 0.000 1.025 563 Q CB 1.048 29.635 28.738 -0.252 0.000 1.124 563 Q HN 0.954 nan 8.270 nan 0.000 0.473 564 G N -0.371 107.628 108.800 -1.334 0.000 2.378 564 G HA2 0.136 4.103 3.960 0.013 0.000 0.198 564 G HA3 0.136 4.103 3.960 0.013 0.000 0.198 564 G C -0.361 173.698 174.900 -1.403 0.000 1.223 564 G CA -0.734 43.240 45.100 -1.877 0.000 1.088 564 G HN 0.562 nan 8.290 nan 0.000 0.530 565 G N -2.178 106.106 108.800 -0.860 0.000 2.349 565 G HA2 0.638 4.606 3.960 0.013 0.000 0.294 565 G HA3 0.638 4.606 3.960 0.013 0.000 0.294 565 G C -1.849 173.017 174.900 -0.057 0.000 1.380 565 G CA -0.328 44.510 45.100 -0.436 0.000 0.811 565 G HN 1.132 nan 8.290 nan 0.000 0.519 566 F N 0.736 120.953 119.950 0.445 0.000 2.403 566 F HA 0.508 5.042 4.527 0.012 0.000 0.355 566 F C 0.801 176.882 175.800 0.469 0.000 1.119 566 F CA -0.749 57.521 58.000 0.450 0.000 1.007 566 F CB 2.067 41.231 39.000 0.273 0.000 1.194 566 F HN 0.254 nan 8.300 nan 0.000 0.443 567 V N 3.409 123.613 119.914 0.484 0.000 2.763 567 V HA -0.160 3.968 4.120 0.013 0.000 0.306 567 V C -0.189 176.054 176.094 0.247 0.000 1.059 567 V CA -0.216 62.164 62.300 0.133 0.000 1.138 567 V CB 0.668 32.605 31.823 0.190 0.000 0.940 567 V HN 0.767 nan 8.190 nan 0.000 0.489 568 W N 6.480 127.851 121.300 0.118 0.000 2.278 568 W HA 0.458 5.126 4.660 0.012 0.000 0.317 568 W C -0.883 175.661 176.519 0.041 0.000 1.030 568 W CA -0.661 56.796 57.345 0.186 0.000 1.334 568 W CB 1.329 31.051 29.460 0.437 0.000 1.215 568 W HN 0.924 nan 8.180 nan 0.000 0.405 569 D N 2.727 122.793 120.400 -0.556 0.000 2.895 569 D HA 0.106 4.753 4.640 0.013 0.000 0.320 569 D C 0.647 176.766 176.300 -0.302 0.000 1.249 569 D CA -0.558 53.035 54.000 -0.679 0.000 0.997 569 D CB 0.185 40.079 40.800 -1.510 0.000 1.430 569 D HN 0.419 nan 8.370 nan 0.000 0.558 570 W N 0.349 121.389 121.300 -0.433 0.000 2.408 570 W HA 0.170 4.838 4.660 0.013 0.000 0.311 570 W C -0.188 176.190 176.519 -0.234 0.000 1.190 570 W CA 0.945 58.098 57.345 -0.319 0.000 1.321 570 W CB 0.378 29.662 29.460 -0.293 0.000 1.143 570 W HN 0.150 nan 8.180 nan 0.000 0.501 571 V N 2.900 122.657 119.914 -0.262 0.000 2.588 571 V HA 0.245 4.373 4.120 0.013 0.000 0.304 571 V C -0.847 175.122 176.094 -0.209 0.000 1.042 571 V CA -0.793 61.307 62.300 -0.334 0.000 0.877 571 V CB 1.443 33.161 31.823 -0.176 0.000 0.996 571 V HN -0.101 nan 8.190 nan 0.000 0.425 572 D N 4.128 124.417 120.400 -0.186 0.000 2.472 572 D HA 0.102 4.750 4.640 0.013 0.000 0.237 572 D C 0.300 176.476 176.300 -0.208 0.000 1.141 572 D CA 0.634 54.549 54.000 -0.142 0.000 0.875 572 D CB 0.863 41.651 40.800 -0.021 0.000 1.192 572 D HN 0.626 nan 8.370 nan 0.000 0.450 573 Q N 1.044 120.645 119.800 -0.332 0.000 3.122 573 Q HA 0.145 4.493 4.340 0.013 0.000 0.360 573 Q C -0.133 175.825 176.000 -0.069 0.000 1.300 573 Q CA -0.357 55.003 55.803 -0.739 0.000 0.982 573 Q CB 0.094 28.521 28.738 -0.518 0.000 1.534 573 Q HN 0.360 nan 8.270 nan 0.000 0.474 574 S N -0.147 115.617 115.700 0.108 0.000 2.646 574 S HA 0.643 5.120 4.470 0.013 0.000 0.276 574 S C -0.109 174.663 174.600 0.286 0.000 1.222 574 S CA -0.756 57.619 58.200 0.292 0.000 1.014 574 S CB 1.441 64.794 63.200 0.255 0.000 0.991 574 S HN 0.338 nan 8.310 nan 0.000 0.533 575 L N 1.508 122.818 121.223 0.145 0.000 2.354 575 L HA 0.529 4.877 4.340 0.013 0.000 0.269 575 L C -0.510 176.273 176.870 -0.145 0.000 1.005 575 L CA -1.193 53.612 54.840 -0.058 0.000 0.819 575 L CB 1.540 43.443 42.059 -0.260 0.000 1.311 575 L HN 0.556 nan 8.230 nan 0.000 0.423 576 I N 2.287 122.716 120.570 -0.236 0.000 2.441 576 I HA 0.275 4.452 4.170 0.013 0.000 0.287 576 I C 0.127 175.861 176.117 -0.638 0.000 1.049 576 I CA -0.055 60.974 61.300 -0.452 0.000 1.381 576 I CB 1.051 38.799 38.000 -0.420 0.000 1.409 576 I HN 0.576 nan 8.210 nan 0.000 0.523 577 K N 5.219 124.965 120.400 -1.090 0.000 2.350 577 K HA 0.578 4.905 4.320 0.013 0.000 0.241 577 K C -1.556 174.224 176.600 -1.368 0.000 0.994 577 K CA -0.707 54.860 56.287 -1.199 0.000 0.839 577 K CB 2.299 33.806 32.500 -1.656 0.000 1.244 577 K HN 0.234 nan 8.250 nan 0.000 0.443 578 Y N 0.783 120.839 120.300 -0.407 0.000 2.409 578 Y HA 0.133 4.691 4.550 0.013 0.000 0.343 578 Y C 0.075 176.049 175.900 0.122 0.000 0.973 578 Y CA -1.086 56.949 58.100 -0.108 0.000 1.064 578 Y CB 1.320 39.736 38.460 -0.073 0.000 1.207 578 Y HN 0.683 nan 8.280 nan 0.000 0.452 579 D N 0.086 120.720 120.400 0.390 0.000 2.433 579 D HA 0.044 4.691 4.640 0.013 0.000 0.255 579 D C 1.003 177.413 176.300 0.183 0.000 1.226 579 D CA -0.272 53.910 54.000 0.303 0.000 1.015 579 D CB 0.720 41.641 40.800 0.201 0.000 1.091 579 D HN 0.391 nan 8.370 nan 0.000 0.527 580 E N -0.472 119.799 120.200 0.118 0.000 2.114 580 E HA -0.203 4.154 4.350 0.013 0.000 0.199 580 E C 1.277 177.916 176.600 0.065 0.000 1.008 580 E CA 1.179 57.623 56.400 0.073 0.000 0.810 580 E CB -0.378 29.349 29.700 0.045 0.000 0.739 580 E HN 0.439 nan 8.360 nan 0.000 0.456 581 N N -0.764 117.980 118.700 0.074 0.000 2.494 581 N HA -0.012 4.735 4.740 0.013 0.000 0.182 581 N C 1.008 176.563 175.510 0.075 0.000 1.076 581 N CA 1.059 54.145 53.050 0.062 0.000 0.908 581 N CB 0.390 38.911 38.487 0.058 0.000 0.967 581 N HN 0.285 nan 8.380 nan 0.000 0.449 582 G N 0.319 109.188 108.800 0.115 0.000 2.132 582 G HA2 -0.243 3.724 3.960 0.013 0.000 0.234 582 G HA3 -0.243 3.724 3.960 0.013 0.000 0.234 582 G C -0.260 174.780 174.900 0.234 0.000 0.989 582 G CA -0.394 44.790 45.100 0.140 0.000 0.676 582 G HN 0.261 nan 8.290 nan 0.000 0.522 583 N N 1.692 120.523 118.700 0.218 0.000 2.518 583 N HA 0.460 5.208 4.740 0.013 0.000 0.283 583 N C -2.412 173.216 175.510 0.198 0.000 1.119 583 N CA -1.183 51.987 53.050 0.200 0.000 0.983 583 N CB 1.707 40.280 38.487 0.143 0.000 1.139 583 N HN 0.166 nan 8.380 nan 0.000 0.465 584 P HA 0.216 nan 4.420 nan 0.000 0.275 584 P C -0.538 176.703 177.300 -0.098 0.000 1.228 584 P CA -0.201 62.743 63.100 -0.261 0.000 0.786 584 P CB 0.574 32.150 31.700 -0.206 0.000 0.927 585 W N -0.570 120.476 121.300 -0.424 0.000 3.296 585 W HA 0.398 5.066 4.660 0.013 0.000 0.314 585 W C -1.486 174.837 176.519 -0.327 0.000 1.238 585 W CA -1.017 56.083 57.345 -0.409 0.000 1.193 585 W CB 0.384 29.330 29.460 -0.857 0.000 1.383 585 W HN 0.106 nan 8.180 nan 0.000 0.545 586 S N 1.712 117.503 115.700 0.152 0.000 2.474 586 S HA 0.568 5.046 4.470 0.013 0.000 0.276 586 S C 0.202 174.972 174.600 0.285 0.000 1.227 586 S CA -0.192 58.086 58.200 0.131 0.000 1.050 586 S CB 0.844 64.171 63.200 0.212 0.000 0.939 586 S HN 0.592 nan 8.310 nan 0.000 0.490 587 A N 3.075 125.927 122.820 0.053 0.000 2.320 587 A HA 0.866 5.193 4.320 0.013 0.000 0.334 587 A C -0.654 177.181 177.584 0.419 0.000 1.147 587 A CA -0.730 51.370 52.037 0.104 0.000 0.820 587 A CB 0.633 19.377 19.000 -0.427 0.000 1.218 587 A HN 0.836 nan 8.150 nan 0.000 0.482 588 Y N -0.479 120.132 120.300 0.520 0.000 3.013 588 Y HA 0.786 5.344 4.550 0.013 0.000 0.310 588 Y C 0.653 176.920 175.900 0.611 0.000 1.450 588 Y CA -1.412 56.998 58.100 0.517 0.000 1.091 588 Y CB -0.096 38.502 38.460 0.229 0.000 1.373 588 Y HN 0.862 nan 8.280 nan 0.000 0.590 589 G N -0.392 108.817 108.800 0.682 0.000 2.353 589 G HA2 0.387 4.355 3.960 0.013 0.000 0.239 589 G HA3 0.387 4.355 3.960 0.013 0.000 0.239 589 G C 0.909 176.130 174.900 0.537 0.000 1.295 589 G CA 0.265 45.688 45.100 0.539 0.000 0.884 589 G HN 1.953 nan 8.290 nan 0.000 0.537 590 G N 1.986 111.070 108.800 0.473 0.000 2.217 590 G HA2 -0.270 3.698 3.960 0.013 0.000 0.246 590 G HA3 -0.270 3.698 3.960 0.013 0.000 0.246 590 G C 0.874 175.958 174.900 0.307 0.000 0.990 590 G CA 0.635 45.945 45.100 0.349 0.000 0.627 590 G HN 0.634 nan 8.290 nan 0.000 0.522 591 D N -0.291 120.299 120.400 0.318 0.000 2.378 591 D HA 0.173 4.821 4.640 0.013 0.000 0.227 591 D C 1.147 177.299 176.300 -0.248 0.000 1.012 591 D CA 0.444 54.462 54.000 0.030 0.000 0.905 591 D CB -0.172 40.579 40.800 -0.082 0.000 0.895 591 D HN 0.474 nan 8.370 nan 0.000 0.532 592 F N -0.906 119.162 119.950 0.197 0.000 2.698 592 F HA 0.304 4.838 4.527 0.013 0.000 0.304 592 F C 1.723 177.606 175.800 0.138 0.000 1.108 592 F CA -0.260 57.815 58.000 0.125 0.000 1.263 592 F CB 0.868 39.937 39.000 0.115 0.000 1.013 592 F HN -0.058 nan 8.300 nan 0.000 0.532 593 G N 0.379 109.331 108.800 0.254 0.000 2.179 593 G HA2 -0.284 3.684 3.960 0.013 0.000 0.260 593 G HA3 -0.284 3.684 3.960 0.013 0.000 0.260 593 G C -0.145 174.887 174.900 0.220 0.000 0.977 593 G CA 0.182 45.402 45.100 0.200 0.000 0.641 593 G HN 0.421 nan 8.290 nan 0.000 0.533 594 D N 0.484 121.063 120.400 0.297 0.000 2.425 594 D HA 0.478 5.125 4.640 0.013 0.000 0.247 594 D C 0.157 176.572 176.300 0.193 0.000 1.147 594 D CA 1.042 55.205 54.000 0.271 0.000 0.879 594 D CB 1.560 42.585 40.800 0.374 0.000 1.179 594 D HN 0.447 nan 8.370 nan 0.000 0.456 595 T N 1.039 115.675 114.554 0.137 0.000 3.047 595 T HA 0.405 4.763 4.350 0.013 0.000 0.340 595 T C -2.818 171.914 174.700 0.054 0.000 1.421 595 T CA -1.163 60.990 62.100 0.088 0.000 1.090 595 T CB 1.112 70.034 68.868 0.090 0.000 1.292 595 T HN 0.199 nan 8.240 nan 0.000 0.480 596 P HA 0.476 nan 4.420 nan 0.000 0.271 596 P C -0.910 176.375 177.300 -0.025 0.000 1.233 596 P CA -0.254 62.841 63.100 -0.008 0.000 0.789 596 P CB 0.327 31.996 31.700 -0.050 0.000 0.951 597 N N -1.712 116.970 118.700 -0.029 0.000 2.732 597 N HA 0.290 5.037 4.740 0.013 0.000 0.259 597 N C -1.142 174.307 175.510 -0.103 0.000 1.402 597 N CA -0.773 52.232 53.050 -0.075 0.000 0.829 597 N CB 0.888 39.420 38.487 0.076 0.000 1.495 597 N HN 0.075 nan 8.380 nan 0.000 0.511 598 D N -0.123 120.151 120.400 -0.210 0.000 2.643 598 D HA 0.128 4.776 4.640 0.013 0.000 0.244 598 D C 0.463 176.963 176.300 0.334 0.000 1.257 598 D CA -0.113 53.865 54.000 -0.035 0.000 0.831 598 D CB 0.115 40.764 40.800 -0.252 0.000 1.043 598 D HN 0.722 nan 8.370 nan 0.000 0.488 599 R N 0.789 121.480 120.500 0.318 0.000 3.682 599 R HA -0.320 4.027 4.340 0.013 0.000 0.519 599 R C 1.018 177.380 176.300 0.103 0.000 0.241 599 R CA 1.503 57.791 56.100 0.313 0.000 1.619 599 R CB -1.569 28.834 30.300 0.171 0.000 0.923 599 R HN 0.160 nan 8.270 nan 0.000 0.598 600 Q N 1.433 120.975 119.800 -0.429 0.000 2.415 600 Q HA 0.032 4.379 4.340 0.013 0.000 0.206 600 Q C 1.409 177.137 176.000 -0.454 0.000 0.946 600 Q CA 1.015 56.370 55.803 -0.746 0.000 0.951 600 Q CB 0.123 28.158 28.738 -1.171 0.000 1.026 600 Q HN 0.597 nan 8.270 nan 0.000 0.510 601 F N 1.441 121.322 119.950 -0.116 0.000 2.641 601 F HA -0.091 4.444 4.527 0.013 0.000 0.298 601 F C 2.128 177.868 175.800 -0.101 0.000 1.146 601 F CA 0.845 58.851 58.000 0.009 0.000 1.464 601 F CB -0.135 38.943 39.000 0.130 0.000 1.101 601 F HN 0.414 nan 8.300 nan 0.000 0.585 602 C N -1.395 117.619 119.300 -0.476 0.000 2.576 602 C HA 0.210 4.678 4.460 0.013 0.000 0.267 602 C C 1.026 175.825 174.990 -0.319 0.000 1.364 602 C CA -0.464 58.101 59.018 -0.754 0.000 1.723 602 C CB -1.684 25.117 27.740 -1.564 0.000 1.778 602 C HN 0.182 nan 8.230 nan 0.000 0.572 603 M N 2.587 122.051 119.600 -0.226 0.000 2.060 603 M HA 0.275 4.763 4.480 0.013 0.000 0.342 603 M C -0.417 175.767 176.300 -0.192 0.000 1.031 603 M CA 0.336 55.534 55.300 -0.170 0.000 0.981 603 M CB 0.079 32.606 32.600 -0.122 0.000 1.376 603 M HN 0.361 nan 8.290 nan 0.000 0.397 604 N N 0.881 119.468 118.700 -0.188 0.000 2.240 604 N HA 0.196 4.944 4.740 0.013 0.000 0.240 604 N C 0.361 175.677 175.510 -0.323 0.000 1.277 604 N CA -0.527 52.363 53.050 -0.267 0.000 0.873 604 N CB 1.248 39.640 38.487 -0.159 0.000 1.222 604 N HN 0.650 nan 8.380 nan 0.000 0.507 605 G N 0.045 108.679 108.800 -0.277 0.000 2.451 605 G HA2 0.350 4.318 3.960 0.013 0.000 0.303 605 G HA3 0.350 4.318 3.960 0.013 0.000 0.303 605 G C 0.783 175.542 174.900 -0.236 0.000 1.166 605 G CA -0.558 44.365 45.100 -0.294 0.000 0.884 605 G HN 0.089 nan 8.290 nan 0.000 0.514 606 L N 0.070 121.104 121.223 -0.316 0.000 2.201 606 L HA 0.052 4.399 4.340 0.013 0.000 0.212 606 L C 1.055 177.714 176.870 -0.352 0.000 1.105 606 L CA 0.600 55.272 54.840 -0.280 0.000 0.775 606 L CB -0.520 41.374 42.059 -0.275 0.000 0.913 606 L HN 0.400 nan 8.230 nan 0.000 0.440 607 V N -5.050 114.496 119.914 -0.614 0.000 2.864 607 V HA 0.463 4.591 4.120 0.013 0.000 0.314 607 V C -0.126 175.605 176.094 -0.604 0.000 1.073 607 V CA -1.295 60.602 62.300 -0.671 0.000 0.956 607 V CB 1.549 32.914 31.823 -0.764 0.000 1.023 607 V HN -0.163 nan 8.190 nan 0.000 0.435 608 F N 1.745 121.305 119.950 -0.649 0.000 2.485 608 F HA 0.517 5.052 4.527 0.013 0.000 0.327 608 F C 1.911 177.558 175.800 -0.255 0.000 1.203 608 F CA 0.780 58.525 58.000 -0.426 0.000 1.295 608 F CB 0.726 39.490 39.000 -0.394 0.000 1.191 608 F HN 0.781 nan 8.300 nan 0.000 0.588 609 A N 0.734 123.600 122.820 0.077 0.000 2.024 609 A HA -0.200 4.128 4.320 0.013 0.000 0.220 609 A C 1.527 179.071 177.584 -0.066 0.000 1.164 609 A CA 1.795 53.849 52.037 0.028 0.000 0.643 609 A CB -0.969 18.090 19.000 0.098 0.000 0.806 609 A HN 0.764 nan 8.150 nan 0.000 0.451 610 D N -2.876 117.483 120.400 -0.067 0.000 2.336 610 D HA 0.185 4.833 4.640 0.013 0.000 0.228 610 D C 0.581 176.834 176.300 -0.078 0.000 1.120 610 D CA -0.168 53.766 54.000 -0.110 0.000 0.839 610 D CB -0.088 40.645 40.800 -0.111 0.000 0.932 610 D HN 0.185 nan 8.370 nan 0.000 0.509 611 R N -1.797 118.656 120.500 -0.078 0.000 3.892 611 R HA -0.122 4.225 4.340 0.013 0.000 0.441 611 R C -0.297 175.958 176.300 -0.075 0.000 1.052 611 R CA 1.064 57.114 56.100 -0.083 0.000 1.190 611 R CB -3.210 27.092 30.300 0.004 0.000 1.808 611 R HN 0.248 nan 8.270 nan 0.000 0.538 612 T N 2.286 116.810 114.554 -0.051 0.000 2.901 612 T HA 0.340 4.698 4.350 0.013 0.000 0.301 612 T C -2.271 172.419 174.700 -0.017 0.000 1.012 612 T CA -0.774 61.309 62.100 -0.029 0.000 1.135 612 T CB 1.006 69.824 68.868 -0.082 0.000 0.936 612 T HN -0.100 nan 8.240 nan 0.000 0.539 613 P HA 0.234 nan 4.420 nan 0.000 0.275 613 P C -0.390 176.829 177.300 -0.134 0.000 1.228 613 P CA -0.243 62.783 63.100 -0.125 0.000 0.786 613 P CB 0.428 32.097 31.700 -0.052 0.000 0.927 614 H N 2.390 121.325 119.070 -0.225 0.000 2.508 614 H HA 0.168 4.731 4.556 0.013 0.000 0.358 614 H C -1.265 173.973 175.328 -0.149 0.000 1.212 614 H CA -1.469 54.408 56.048 -0.284 0.000 1.356 614 H CB 0.159 29.686 29.762 -0.392 0.000 1.525 614 H HN 0.358 nan 8.280 nan 0.000 0.578 615 P HA -0.163 nan 4.420 nan 0.000 0.219 615 P C 0.898 178.200 177.300 0.003 0.000 1.146 615 P CA 1.518 64.618 63.100 -0.000 0.000 0.808 615 P CB 0.110 31.814 31.700 0.007 0.000 0.779 616 A N -0.589 122.226 122.820 -0.008 0.000 2.070 616 A HA -0.170 4.158 4.320 0.013 0.000 0.220 616 A C 2.038 179.575 177.584 -0.077 0.000 1.159 616 A CA 1.110 53.105 52.037 -0.070 0.000 0.656 616 A CB -1.544 17.375 19.000 -0.135 0.000 0.800 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N -0.547 120.658 121.223 -0.029 0.000 2.042 617 L HA -0.131 4.217 4.340 0.013 0.000 0.210 617 L C 2.505 179.428 176.870 0.087 0.000 1.076 617 L CA 2.737 57.597 54.840 0.035 0.000 0.749 617 L CB -0.937 41.140 42.059 0.029 0.000 0.893 617 L HN 0.367 nan 8.230 nan 0.000 0.432 618 T N -1.801 112.808 114.554 0.091 0.000 2.915 618 T HA -0.173 4.184 4.350 0.013 0.000 0.269 618 T C 1.787 176.602 174.700 0.191 0.000 1.071 618 T CA 1.334 63.546 62.100 0.187 0.000 1.132 618 T CB -0.130 68.825 68.868 0.145 0.000 0.878 618 T HN 0.471 nan 8.240 nan 0.000 0.479 619 E N 0.782 121.031 120.200 0.082 0.000 2.106 619 E HA 0.098 4.455 4.350 0.013 0.000 0.192 619 E C 2.165 178.771 176.600 0.009 0.000 0.984 619 E CA 1.285 57.733 56.400 0.080 0.000 0.806 619 E CB -0.578 29.134 29.700 0.019 0.000 0.750 619 E HN 0.536 nan 8.360 nan 0.000 0.458 620 A N 0.951 123.669 122.820 -0.170 0.000 1.898 620 A HA -0.204 4.124 4.320 0.013 0.000 0.216 620 A C 2.144 179.628 177.584 -0.167 0.000 1.181 620 A CA 1.825 53.715 52.037 -0.245 0.000 0.620 620 A CB -0.593 18.256 19.000 -0.252 0.000 0.819 620 A HN 0.253 nan 8.150 nan 0.000 0.442 621 K N -1.098 119.277 120.400 -0.042 0.000 2.020 621 K HA -0.308 4.020 4.320 0.013 0.000 0.212 621 K C 2.072 178.566 176.600 -0.176 0.000 1.050 621 K CA 2.155 58.426 56.287 -0.027 0.000 0.929 621 K CB -0.373 32.267 32.500 0.233 0.000 0.714 621 K HN 0.646 nan 8.250 nan 0.000 0.443 622 H N 0.210 119.099 119.070 -0.301 0.000 2.357 622 H HA -0.018 4.546 4.556 0.013 0.000 0.301 622 H C 1.949 177.007 175.328 -0.450 0.000 1.082 622 H CA 1.752 57.431 56.048 -0.615 0.000 1.342 622 H CB 0.104 29.528 29.762 -0.564 0.000 1.389 622 H HN 0.253 nan 8.280 nan 0.000 0.511 623 Q N 0.195 119.757 119.800 -0.397 0.000 2.224 623 Q HA -0.077 4.270 4.340 0.013 0.000 0.203 623 Q C 1.509 176.978 176.000 -0.884 0.000 0.970 623 Q CA 1.083 56.576 55.803 -0.516 0.000 0.865 623 Q CB 0.090 28.697 28.738 -0.219 0.000 0.922 623 Q HN 0.707 nan 8.270 nan 0.000 0.445 624 Q N 0.165 119.398 119.800 -0.945 0.000 2.280 624 Q HA 0.071 4.419 4.340 0.013 0.000 0.202 624 Q C -0.094 175.345 176.000 -0.935 0.000 0.903 624 Q CA -0.210 54.868 55.803 -1.209 0.000 0.948 624 Q CB 0.336 28.428 28.738 -1.077 0.000 1.058 624 Q HN 0.377 nan 8.270 nan 0.000 0.493 625 Q N -0.482 118.919 119.800 -0.665 0.000 2.414 625 Q HA -0.057 4.291 4.340 0.013 0.000 0.288 625 Q C -0.134 175.498 176.000 -0.613 0.000 1.086 625 Q CA 0.481 56.024 55.803 -0.432 0.000 0.943 625 Q CB 0.439 29.010 28.738 -0.278 0.000 1.282 625 Q HN 0.303 nan 8.270 nan 0.000 0.438 626 F N 0.251 119.960 119.950 -0.403 0.000 2.695 626 F HA 0.232 4.766 4.527 0.012 0.000 0.303 626 F C -0.275 174.913 175.800 -1.019 0.000 1.091 626 F CA -0.065 57.450 58.000 -0.809 0.000 1.300 626 F CB 0.591 38.812 39.000 -1.298 0.000 1.071 626 F HN 0.300 nan 8.300 nan 0.000 0.578 627 F N 0.378 120.236 119.950 -0.152 0.000 2.529 627 F HA 0.491 5.026 4.527 0.013 0.000 0.320 627 F C -0.130 175.312 175.800 -0.595 0.000 1.118 627 F CA -1.115 56.686 58.000 -0.331 0.000 0.915 627 F CB 1.317 40.139 39.000 -0.298 0.000 1.161 627 F HN -0.307 nan 8.300 nan 0.000 0.445 628 Q N 2.850 122.374 119.800 -0.459 0.000 2.301 628 Q HA 0.608 4.956 4.340 0.013 0.000 0.267 628 Q C -1.394 174.317 176.000 -0.481 0.000 1.035 628 Q CA -0.668 54.912 55.803 -0.372 0.000 0.856 628 Q CB 2.972 31.624 28.738 -0.143 0.000 1.337 628 Q HN 0.547 nan 8.270 nan 0.000 0.450 629 F N -0.028 120.048 119.950 0.210 0.000 2.588 629 F HA 0.598 5.133 4.527 0.013 0.000 0.314 629 F C 0.279 176.307 175.800 0.379 0.000 1.069 629 F CA -0.817 57.379 58.000 0.327 0.000 0.931 629 F CB 2.052 41.374 39.000 0.537 0.000 1.260 629 F HN 0.150 nan 8.300 nan 0.000 0.465 630 R N 1.352 122.154 120.500 0.503 0.000 2.771 630 R HA 0.751 5.098 4.340 0.013 0.000 0.274 630 R C -2.033 174.327 176.300 0.099 0.000 0.987 630 R CA -1.250 55.068 56.100 0.363 0.000 0.908 630 R CB 3.007 33.423 30.300 0.194 0.000 1.213 630 R HN 0.583 nan 8.270 nan 0.000 0.468 631 L N 0.376 121.535 121.223 -0.105 0.000 2.385 631 L HA 0.534 4.882 4.340 0.013 0.000 0.273 631 L C -1.144 175.575 176.870 -0.252 0.000 0.990 631 L CA 0.062 54.617 54.840 -0.475 0.000 0.821 631 L CB 2.251 43.564 42.059 -1.242 0.000 1.279 631 L HN 0.504 nan 8.230 nan 0.000 0.412 632 S N 3.619 119.198 115.700 -0.202 0.000 2.746 632 S HA 0.726 5.204 4.470 0.013 0.000 0.273 632 S C 0.226 174.743 174.600 -0.139 0.000 1.172 632 S CA 0.283 58.406 58.200 -0.129 0.000 1.116 632 S CB 0.329 63.486 63.200 -0.071 0.000 1.057 632 S HN 1.506 nan 8.310 nan 0.000 0.483 633 G N 4.408 113.124 108.800 -0.141 0.000 2.559 633 G HA2 -0.294 3.674 3.960 0.013 0.000 0.282 633 G HA3 -0.294 3.674 3.960 0.013 0.000 0.282 633 G C 0.102 174.891 174.900 -0.185 0.000 1.177 633 G CA 0.683 45.701 45.100 -0.136 0.000 0.960 633 G HN 0.931 nan 8.290 nan 0.000 0.540 634 Q N 0.303 119.994 119.800 -0.182 0.000 2.159 634 Q HA 0.465 4.813 4.340 0.013 0.000 0.217 634 Q C 0.551 176.409 176.000 -0.238 0.000 0.818 634 Q CA 0.784 56.451 55.803 -0.227 0.000 1.008 634 Q CB -0.269 28.350 28.738 -0.199 0.000 1.148 634 Q HN 0.543 nan 8.270 nan 0.000 0.491 635 T N 1.751 116.185 114.554 -0.201 0.000 2.744 635 T HA 0.594 4.951 4.350 0.013 0.000 0.291 635 T C -0.250 174.332 174.700 -0.196 0.000 0.957 635 T CA -0.372 61.626 62.100 -0.169 0.000 1.002 635 T CB 0.581 69.382 68.868 -0.111 0.000 0.919 635 T HN 0.193 nan 8.240 nan 0.000 0.468 636 I N 3.022 123.487 120.570 -0.175 0.000 2.336 636 I HA 0.295 4.473 4.170 0.013 0.000 0.292 636 I C 0.575 176.696 176.117 0.007 0.000 0.991 636 I CA -0.476 60.748 61.300 -0.126 0.000 1.227 636 I CB 1.183 39.120 38.000 -0.105 0.000 1.366 636 I HN 0.546 nan 8.210 nan 0.000 0.466 637 E N 6.615 126.854 120.200 0.065 0.000 2.113 637 E HA 0.433 4.790 4.350 0.013 0.000 0.273 637 E C -1.517 175.185 176.600 0.169 0.000 0.924 637 E CA -0.605 55.851 56.400 0.093 0.000 0.764 637 E CB 1.479 31.220 29.700 0.068 0.000 1.104 637 E HN 0.357 nan 8.360 nan 0.000 0.406 638 V N 4.232 124.230 119.914 0.140 0.000 2.394 638 V HA 0.303 4.431 4.120 0.013 0.000 0.282 638 V C 0.013 176.130 176.094 0.038 0.000 1.031 638 V CA -0.525 61.826 62.300 0.085 0.000 0.881 638 V CB 1.692 33.595 31.823 0.133 0.000 0.982 638 V HN 0.705 nan 8.190 nan 0.000 0.451 639 T N 3.369 117.905 114.554 -0.030 0.000 2.797 639 T HA 0.330 4.687 4.350 0.013 0.000 0.279 639 T C -0.010 174.685 174.700 -0.009 0.000 0.991 639 T CA -0.228 61.867 62.100 -0.008 0.000 0.979 639 T CB 1.525 70.372 68.868 -0.036 0.000 0.943 639 T HN 0.677 nan 8.240 nan 0.000 0.444 640 S N 1.824 117.531 115.700 0.013 0.000 2.513 640 S HA 0.205 4.682 4.470 0.013 0.000 0.276 640 S C 0.797 175.267 174.600 -0.216 0.000 1.254 640 S CA -0.548 57.580 58.200 -0.122 0.000 1.053 640 S CB 0.541 63.752 63.200 0.018 0.000 0.958 640 S HN 0.721 nan 8.310 nan 0.000 0.491 641 E N 2.915 122.879 120.200 -0.393 0.000 2.476 641 E HA 0.089 4.447 4.350 0.013 0.000 0.196 641 E C -0.773 175.650 176.600 -0.296 0.000 1.029 641 E CA -0.109 56.107 56.400 -0.307 0.000 0.896 641 E CB 0.259 29.760 29.700 -0.330 0.000 1.012 641 E HN 0.654 nan 8.360 nan 0.000 0.475 642 Y N 0.549 120.730 120.300 -0.198 0.000 2.480 642 Y HA -0.021 4.536 4.550 0.012 0.000 0.338 642 Y C 1.400 177.147 175.900 -0.254 0.000 1.220 642 Y CA 0.365 58.351 58.100 -0.190 0.000 1.430 642 Y CB 0.597 38.929 38.460 -0.212 0.000 1.311 642 Y HN -0.035 nan 8.280 nan 0.000 0.575 643 L N 1.041 122.118 121.223 -0.243 0.000 2.354 643 L HA 0.010 4.357 4.340 0.013 0.000 0.212 643 L C 0.663 177.118 176.870 -0.692 0.000 1.091 643 L CA 0.735 55.173 54.840 -0.671 0.000 0.828 643 L CB -0.021 41.224 42.059 -1.356 0.000 0.973 643 L HN 0.568 nan 8.230 nan 0.000 0.461 644 F N -0.744 119.228 119.950 0.036 0.000 2.819 644 F HA 0.211 4.745 4.527 0.012 0.000 0.325 644 F C 1.165 176.953 175.800 -0.019 0.000 1.041 644 F CA -0.742 57.251 58.000 -0.011 0.000 1.184 644 F CB 0.171 39.141 39.000 -0.050 0.000 1.019 644 F HN -0.116 nan 8.300 nan 0.000 0.590 645 R N -0.188 120.359 120.500 0.078 0.000 2.598 645 R HA 0.512 4.860 4.340 0.013 0.000 0.279 645 R C -0.943 175.369 176.300 0.020 0.000 0.984 645 R CA -0.646 55.447 56.100 -0.011 0.000 0.999 645 R CB 1.089 31.271 30.300 -0.196 0.000 1.114 645 R HN 0.084 nan 8.270 nan 0.000 0.493 646 H N 0.499 119.557 119.070 -0.019 0.000 2.509 646 H HA 0.135 4.699 4.556 0.012 0.000 0.359 646 H C -0.066 175.285 175.328 0.038 0.000 1.253 646 H CA 0.096 56.164 56.048 0.035 0.000 1.373 646 H CB 1.251 31.036 29.762 0.039 0.000 1.555 646 H HN 0.752 nan 8.280 nan 0.000 0.586 647 S N 1.508 117.153 115.700 -0.093 0.000 4.183 647 S HA 0.003 4.481 4.470 0.013 0.000 0.195 647 S C -0.101 174.593 174.600 0.156 0.000 1.421 647 S CA -0.288 57.977 58.200 0.108 0.000 0.920 647 S CB -0.756 62.528 63.200 0.139 0.000 1.525 647 S HN 0.694 nan 8.310 nan 0.000 0.447 648 D N 0.536 121.038 120.400 0.169 0.000 2.319 648 D HA 0.051 4.699 4.640 0.013 0.000 0.230 648 D C 0.326 176.681 176.300 0.093 0.000 1.094 648 D CA -0.189 53.904 54.000 0.155 0.000 0.856 648 D CB -0.314 40.562 40.800 0.127 0.000 0.915 648 D HN 0.481 nan 8.370 nan 0.000 0.517 649 N N 0.106 118.860 118.700 0.091 0.000 2.636 649 N HA 0.163 4.911 4.740 0.013 0.000 0.287 649 N C -1.583 173.984 175.510 0.094 0.000 1.817 649 N CA -0.206 52.889 53.050 0.075 0.000 0.842 649 N CB 0.297 38.818 38.487 0.057 0.000 1.353 649 N HN -0.042 nan 8.380 nan 0.000 0.500 650 E N -0.189 120.060 120.200 0.081 0.000 2.335 650 E HA 0.524 4.882 4.350 0.013 0.000 0.280 650 E C -1.486 175.140 176.600 0.044 0.000 0.918 650 E CA -0.711 55.725 56.400 0.060 0.000 0.765 650 E CB 1.945 31.648 29.700 0.003 0.000 1.218 650 E HN 0.279 nan 8.360 nan 0.000 0.425 651 L N -0.230 121.026 121.223 0.055 0.000 2.350 651 L HA 0.755 5.103 4.340 0.013 0.000 0.260 651 L C -1.480 175.451 176.870 0.101 0.000 1.015 651 L CA -1.093 53.791 54.840 0.074 0.000 0.821 651 L CB 1.021 43.133 42.059 0.089 0.000 1.370 651 L HN 0.482 nan 8.230 nan 0.000 0.416 652 L N 2.018 123.321 121.223 0.132 0.000 2.272 652 L HA 0.504 4.851 4.340 0.013 0.000 0.289 652 L C -0.657 176.358 176.870 0.241 0.000 1.032 652 L CA 0.082 55.037 54.840 0.192 0.000 0.810 652 L CB 0.508 42.690 42.059 0.204 0.000 1.205 652 L HN 0.731 nan 8.230 nan 0.000 0.422 653 H N 5.970 125.122 119.070 0.136 0.000 2.459 653 H HA 0.351 4.915 4.556 0.013 0.000 0.332 653 H C -1.565 173.859 175.328 0.160 0.000 1.094 653 H CA -0.504 55.583 56.048 0.066 0.000 1.224 653 H CB 1.020 30.787 29.762 0.008 0.000 1.449 653 H HN 0.745 nan 8.280 nan 0.000 0.484 654 W N 5.371 126.555 121.300 -0.192 0.000 2.844 654 W HA 0.529 5.197 4.660 0.013 0.000 0.340 654 W C -1.811 174.671 176.519 -0.061 0.000 1.093 654 W CA -1.377 55.944 57.345 -0.040 0.000 1.212 654 W CB 1.296 30.742 29.460 -0.024 0.000 1.422 654 W HN 0.554 nan 8.180 nan 0.000 0.515 655 M N 3.557 123.369 119.600 0.353 0.000 2.371 655 M HA 0.600 5.088 4.480 0.013 0.000 0.287 655 M C -2.513 173.995 176.300 0.347 0.000 1.149 655 M CA -0.355 55.039 55.300 0.157 0.000 0.929 655 M CB 2.234 34.887 32.600 0.089 0.000 1.683 655 M HN 0.177 nan 8.290 nan 0.000 0.470 656 V N 3.699 123.804 119.914 0.319 0.000 2.495 656 V HA 1.020 5.147 4.120 0.013 0.000 0.298 656 V C -0.348 175.859 176.094 0.188 0.000 1.031 656 V CA -0.218 62.254 62.300 0.287 0.000 0.871 656 V CB 1.318 33.319 31.823 0.295 0.000 0.988 656 V HN 1.060 nan 8.190 nan 0.000 0.432 657 A N 4.177 127.114 122.820 0.196 0.000 2.498 657 A HA 0.892 5.219 4.320 0.013 0.000 0.298 657 A C -1.488 176.206 177.584 0.183 0.000 1.075 657 A CA -0.627 51.493 52.037 0.138 0.000 0.714 657 A CB 1.750 20.795 19.000 0.075 0.000 1.299 657 A HN 0.856 nan 8.150 nan 0.000 0.407 658 L N 1.413 122.716 121.223 0.133 0.000 2.277 658 L HA 0.542 4.890 4.340 0.013 0.000 0.284 658 L C -0.655 176.309 176.870 0.155 0.000 1.028 658 L CA 0.279 55.209 54.840 0.151 0.000 0.835 658 L CB 0.294 42.411 42.059 0.097 0.000 1.215 658 L HN 0.751 nan 8.230 nan 0.000 0.425 659 D N 4.774 125.334 120.400 0.267 0.000 2.697 659 D HA -0.197 4.451 4.640 0.013 0.000 0.235 659 D C 1.187 177.541 176.300 0.090 0.000 1.167 659 D CA 1.586 55.748 54.000 0.270 0.000 0.656 659 D CB -1.029 39.890 40.800 0.197 0.000 1.025 659 D HN 1.158 nan 8.370 nan 0.000 0.419 660 G N -0.790 108.027 108.800 0.029 0.000 2.225 660 G HA2 -0.378 3.589 3.960 0.013 0.000 0.254 660 G HA3 -0.378 3.589 3.960 0.013 0.000 0.254 660 G C 0.288 175.119 174.900 -0.116 0.000 0.988 660 G CA 0.549 45.553 45.100 -0.161 0.000 0.625 660 G HN 0.503 nan 8.290 nan 0.000 0.527 661 K N 2.041 122.421 120.400 -0.033 0.000 2.248 661 K HA 0.476 4.804 4.320 0.013 0.000 0.281 661 K C -2.578 174.017 176.600 -0.010 0.000 1.054 661 K CA -1.876 54.392 56.287 -0.031 0.000 0.903 661 K CB 1.620 34.116 32.500 -0.005 0.000 1.077 661 K HN 0.066 nan 8.250 nan 0.000 0.474 662 P HA -0.004 nan 4.420 nan 0.000 0.268 662 P C -0.017 177.288 177.300 0.007 0.000 1.204 662 P CA -0.026 63.065 63.100 -0.014 0.000 0.768 662 P CB 0.821 32.495 31.700 -0.043 0.000 0.842 663 L N 1.321 122.565 121.223 0.034 0.000 2.600 663 L HA 0.462 4.809 4.340 0.013 0.000 0.213 663 L C 0.738 177.637 176.870 0.048 0.000 1.045 663 L CA 0.572 55.441 54.840 0.048 0.000 0.863 663 L CB 0.302 42.413 42.059 0.086 0.000 1.189 663 L HN 0.426 nan 8.230 nan 0.000 0.484 664 A N -0.605 122.250 122.820 0.059 0.000 2.597 664 A HA 0.628 4.956 4.320 0.013 0.000 0.292 664 A C -1.061 176.423 177.584 -0.167 0.000 1.057 664 A CA 0.106 52.163 52.037 0.034 0.000 0.674 664 A CB 1.619 20.750 19.000 0.219 0.000 1.278 664 A HN 0.138 nan 8.150 nan 0.000 0.416 665 S N -0.737 114.595 115.700 -0.614 0.000 2.578 665 S HA 0.911 5.388 4.470 0.013 0.000 0.272 665 S C -0.294 173.300 174.600 -1.676 0.000 1.145 665 S CA -0.096 57.228 58.200 -1.460 0.000 0.835 665 S CB 0.928 63.679 63.200 -0.748 0.000 1.104 665 S HN 2.554 nan 8.310 nan 0.000 0.458 666 G N 0.043 107.380 108.800 -2.438 0.000 2.663 666 G HA2 0.734 4.702 3.960 0.013 0.000 0.299 666 G HA3 0.734 4.702 3.960 0.013 0.000 0.299 666 G C -2.187 172.096 174.900 -1.029 0.000 1.372 666 G CA -0.838 43.515 45.100 -1.244 0.000 0.781 666 G HN 1.001 nan 8.290 nan 0.000 0.491 667 E N -1.137 118.887 120.200 -0.292 0.000 2.356 667 E HA 0.657 5.014 4.350 0.013 0.000 0.275 667 E C -1.745 174.927 176.600 0.121 0.000 0.904 667 E CA -0.974 55.393 56.400 -0.054 0.000 0.757 667 E CB 2.859 32.575 29.700 0.027 0.000 1.232 667 E HN 0.347 nan 8.360 nan 0.000 0.442 668 V N 1.969 121.980 119.914 0.162 0.000 2.686 668 V HA 0.395 4.522 4.120 0.013 0.000 0.306 668 V C -2.422 173.739 176.094 0.113 0.000 1.065 668 V CA -1.936 60.450 62.300 0.143 0.000 0.894 668 V CB 2.141 34.061 31.823 0.161 0.000 1.004 668 V HN 0.664 nan 8.190 nan 0.000 0.424 669 P HA 0.255 nan 4.420 nan 0.000 0.271 669 P C -0.935 176.410 177.300 0.076 0.000 1.216 669 P CA -0.107 63.041 63.100 0.080 0.000 0.776 669 P CB 1.013 32.758 31.700 0.074 0.000 0.881 670 L N 2.778 124.037 121.223 0.059 0.000 2.296 670 L HA 0.332 4.680 4.340 0.013 0.000 0.286 670 L C 0.108 177.011 176.870 0.055 0.000 1.023 670 L CA -0.039 54.821 54.840 0.033 0.000 0.812 670 L CB 1.166 43.195 42.059 -0.049 0.000 1.223 670 L HN 0.356 nan 8.230 nan 0.000 0.421 671 D N 2.882 123.321 120.400 0.064 0.000 2.443 671 D HA 0.336 4.984 4.640 0.013 0.000 0.281 671 D C -1.197 175.077 176.300 -0.043 0.000 1.210 671 D CA -0.134 53.943 54.000 0.128 0.000 0.875 671 D CB 0.942 41.883 40.800 0.236 0.000 1.125 671 D HN 0.046 nan 8.370 nan 0.000 0.503 672 V N 1.163 120.897 119.914 -0.299 0.000 2.555 672 V HA 0.843 4.971 4.120 0.013 0.000 0.302 672 V C 0.783 176.597 176.094 -0.467 0.000 1.038 672 V CA -1.196 60.987 62.300 -0.195 0.000 0.887 672 V CB 1.411 33.254 31.823 0.033 0.000 0.991 672 V HN 0.452 nan 8.190 nan 0.000 0.434 673 A N 6.213 128.928 122.820 -0.174 0.000 2.313 673 A HA 0.734 5.061 4.320 0.013 0.000 0.261 673 A C -2.323 175.269 177.584 0.014 0.000 1.090 673 A CA -1.527 50.511 52.037 0.003 0.000 0.807 673 A CB -0.167 18.924 19.000 0.151 0.000 1.055 673 A HN 0.693 nan 8.150 nan 0.000 0.492 674 P HA 0.032 nan 4.420 nan 0.000 0.265 674 P C -0.480 176.818 177.300 -0.003 0.000 1.193 674 P CA 0.512 63.630 63.100 0.030 0.000 0.765 674 P CB 0.568 32.273 31.700 0.008 0.000 0.823 675 Q N -1.179 118.601 119.800 -0.033 0.000 2.348 675 Q HA -0.182 4.166 4.340 0.013 0.000 0.221 675 Q C 0.790 176.782 176.000 -0.014 0.000 0.735 675 Q CA 1.815 57.593 55.803 -0.043 0.000 1.351 675 Q CB -2.486 26.223 28.738 -0.048 0.000 1.640 675 Q HN 0.778 nan 8.270 nan 0.000 0.667 676 G N 0.184 108.988 108.800 0.007 0.000 2.537 676 G HA2 0.549 4.517 3.960 0.013 0.000 0.297 676 G HA3 0.549 4.517 3.960 0.013 0.000 0.297 676 G C -0.274 174.643 174.900 0.027 0.000 1.310 676 G CA -0.507 44.606 45.100 0.022 0.000 1.027 676 G HN 0.012 nan 8.290 nan 0.000 0.505 677 K N -0.866 119.554 120.400 0.034 0.000 2.435 677 K HA 0.492 4.820 4.320 0.013 0.000 0.251 677 K C -0.929 175.700 176.600 0.048 0.000 0.954 677 K CA -0.605 55.706 56.287 0.041 0.000 0.820 677 K CB 2.643 35.162 32.500 0.032 0.000 1.292 677 K HN 0.504 nan 8.250 nan 0.000 0.436 678 Q N 2.405 122.238 119.800 0.056 0.000 2.331 678 Q HA 0.429 4.776 4.340 0.013 0.000 0.272 678 Q C -1.627 174.404 176.000 0.052 0.000 1.062 678 Q CA -0.694 55.142 55.803 0.055 0.000 0.806 678 Q CB 1.437 30.212 28.738 0.062 0.000 1.312 678 Q HN 0.511 nan 8.270 nan 0.000 0.431 679 L N 4.873 126.117 121.223 0.036 0.000 2.295 679 L HA 0.572 4.920 4.340 0.013 0.000 0.285 679 L C -0.496 176.379 176.870 0.009 0.000 1.035 679 L CA -0.646 54.205 54.840 0.018 0.000 0.806 679 L CB 1.263 43.324 42.059 0.004 0.000 1.214 679 L HN 0.583 nan 8.230 nan 0.000 0.426 680 I N 2.713 123.278 120.570 -0.008 0.000 2.439 680 I HA 0.224 4.402 4.170 0.013 0.000 0.285 680 I C -0.593 175.469 176.117 -0.091 0.000 1.021 680 I CA -0.549 60.734 61.300 -0.029 0.000 1.091 680 I CB 2.164 40.160 38.000 -0.005 0.000 1.242 680 I HN 0.554 nan 8.210 nan 0.000 0.439 681 E N 6.390 126.534 120.200 -0.093 0.000 2.130 681 E HA 0.384 4.741 4.350 0.013 0.000 0.284 681 E C -0.583 175.900 176.600 -0.195 0.000 1.018 681 E CA -0.319 56.002 56.400 -0.132 0.000 0.817 681 E CB 1.087 30.731 29.700 -0.093 0.000 1.078 681 E HN 0.409 nan 8.360 nan 0.000 0.396 682 L N 4.869 125.910 121.223 -0.304 0.000 2.439 682 L HA 0.226 4.574 4.340 0.013 0.000 0.269 682 L C -1.712 174.968 176.870 -0.316 0.000 1.179 682 L CA -1.752 52.801 54.840 -0.479 0.000 0.828 682 L CB 0.224 41.903 42.059 -0.632 0.000 1.106 682 L HN 0.334 nan 8.230 nan 0.000 0.467 683 P HA -0.064 nan 4.420 nan 0.000 0.267 683 P C -0.333 176.903 177.300 -0.107 0.000 1.201 683 P CA -0.067 62.972 63.100 -0.102 0.000 0.775 683 P CB 0.328 32.056 31.700 0.047 0.000 0.854 684 E N 2.126 122.296 120.200 -0.049 0.000 2.465 684 E HA 0.008 4.366 4.350 0.013 0.000 0.260 684 E C -1.013 175.574 176.600 -0.022 0.000 0.980 684 E CA 0.188 56.562 56.400 -0.042 0.000 0.927 684 E CB 0.087 29.774 29.700 -0.022 0.000 0.934 684 E HN 0.305 nan 8.360 nan 0.000 0.459 685 L N 6.749 127.951 121.223 -0.035 0.000 2.322 685 L HA 0.374 4.721 4.340 0.013 0.000 0.281 685 L C -2.089 174.785 176.870 0.006 0.000 1.014 685 L CA -2.414 52.423 54.840 -0.005 0.000 0.815 685 L CB 1.671 43.718 42.059 -0.021 0.000 1.247 685 L HN 0.488 nan 8.230 nan 0.000 0.421 686 P HA -0.058 nan 4.420 nan 0.000 0.263 686 P C -1.220 176.093 177.300 0.022 0.000 1.168 686 P CA 0.097 63.215 63.100 0.030 0.000 0.759 686 P CB 0.344 32.072 31.700 0.046 0.000 0.782 687 Q N 4.628 124.437 119.800 0.016 0.000 2.347 687 Q HA 0.295 4.642 4.340 0.013 0.000 0.262 687 Q C -1.561 174.449 176.000 0.017 0.000 0.980 687 Q CA -1.302 54.508 55.803 0.012 0.000 0.867 687 Q CB 0.628 29.368 28.738 0.004 0.000 1.242 687 Q HN 0.301 nan 8.270 nan 0.000 0.453 688 P HA -0.039 nan 4.420 nan 0.000 0.220 688 P C -0.242 177.070 177.300 0.021 0.000 1.152 688 P CA 0.437 63.551 63.100 0.024 0.000 0.812 688 P CB 0.528 32.247 31.700 0.033 0.000 0.792 689 E N -2.402 117.808 120.200 0.017 0.000 4.976 689 E HA -0.204 4.154 4.350 0.013 0.000 0.222 689 E C 0.473 177.085 176.600 0.020 0.000 0.944 689 E CA 1.498 57.908 56.400 0.016 0.000 1.778 689 E CB -1.998 27.710 29.700 0.014 0.000 1.790 689 E HN 0.223 nan 8.360 nan 0.000 0.404 690 S N -0.074 115.641 115.700 0.025 0.000 2.528 690 S HA 0.609 5.086 4.470 0.013 0.000 0.277 690 S C 0.300 174.922 174.600 0.035 0.000 1.297 690 S CA -0.051 58.167 58.200 0.030 0.000 1.052 690 S CB 0.793 64.012 63.200 0.031 0.000 0.917 690 S HN 0.513 nan 8.310 nan 0.000 0.492 691 A N 3.824 126.668 122.820 0.039 0.000 2.507 691 A HA 0.618 4.945 4.320 0.013 0.000 0.235 691 A C 1.017 178.635 177.584 0.056 0.000 1.070 691 A CA 0.463 52.526 52.037 0.044 0.000 0.768 691 A CB -0.766 18.263 19.000 0.049 0.000 1.011 691 A HN 1.968 nan 8.150 nan 0.000 0.502 692 G N -0.387 108.448 108.800 0.058 0.000 2.361 692 G HA2 0.461 4.429 3.960 0.013 0.000 0.331 692 G HA3 0.461 4.429 3.960 0.013 0.000 0.331 692 G C -1.126 173.811 174.900 0.062 0.000 1.324 692 G CA -0.123 45.026 45.100 0.081 0.000 0.984 692 G HN 1.242 nan 8.290 nan 0.000 0.586 693 Q N -0.336 119.518 119.800 0.091 0.000 2.293 693 Q HA 0.740 5.088 4.340 0.013 0.000 0.261 693 Q C -0.415 175.633 176.000 0.079 0.000 0.960 693 Q CA -0.641 55.167 55.803 0.008 0.000 0.882 693 Q CB 1.399 30.099 28.738 -0.064 0.000 1.275 693 Q HN 0.598 nan 8.270 nan 0.000 0.445 694 L N 4.163 125.382 121.223 -0.007 0.000 2.331 694 L HA 0.439 4.787 4.340 0.013 0.000 0.278 694 L C -0.783 176.094 176.870 0.011 0.000 1.106 694 L CA -0.303 54.578 54.840 0.068 0.000 0.824 694 L CB 0.649 42.725 42.059 0.028 0.000 1.142 694 L HN 0.682 nan 8.230 nan 0.000 0.443 695 W N 4.179 125.529 121.300 0.084 0.000 2.785 695 W HA 0.498 5.166 4.660 0.012 0.000 0.333 695 W C -0.791 175.827 176.519 0.165 0.000 1.062 695 W CA -0.540 56.876 57.345 0.117 0.000 1.233 695 W CB 1.791 31.337 29.460 0.142 0.000 1.413 695 W HN 0.136 nan 8.180 nan 0.000 0.489 696 L N 3.392 124.891 121.223 0.460 0.000 2.282 696 L HA 0.735 5.083 4.340 0.013 0.000 0.288 696 L C -0.326 176.850 176.870 0.510 0.000 1.033 696 L CA 0.219 55.316 54.840 0.428 0.000 0.807 696 L CB 1.290 43.549 42.059 0.334 0.000 1.209 696 L HN 0.300 nan 8.230 nan 0.000 0.423 697 T N 5.190 119.992 114.554 0.413 0.000 2.824 697 T HA 0.646 5.003 4.350 0.013 0.000 0.282 697 T C -0.703 174.204 174.700 0.345 0.000 0.993 697 T CA -0.407 61.900 62.100 0.346 0.000 0.967 697 T CB 1.472 70.479 68.868 0.231 0.000 0.960 697 T HN 0.618 nan 8.240 nan 0.000 0.441 698 V N 1.795 121.889 119.914 0.301 0.000 2.769 698 V HA 0.848 4.975 4.120 0.013 0.000 0.312 698 V C -0.751 175.451 176.094 0.180 0.000 1.061 698 V CA -1.131 61.313 62.300 0.240 0.000 0.931 698 V CB 1.956 33.876 31.823 0.161 0.000 1.010 698 V HN 0.822 nan 8.190 nan 0.000 0.433 699 R N 2.125 122.760 120.500 0.225 0.000 2.673 699 R HA 0.764 5.112 4.340 0.013 0.000 0.281 699 R C -1.653 174.796 176.300 0.249 0.000 0.991 699 R CA -0.777 55.476 56.100 0.255 0.000 0.896 699 R CB 2.702 33.118 30.300 0.193 0.000 1.201 699 R HN 0.692 nan 8.270 nan 0.000 0.457 700 V N 3.299 123.384 119.914 0.284 0.000 2.407 700 V HA 0.382 4.509 4.120 0.013 0.000 0.278 700 V C -0.269 175.931 176.094 0.176 0.000 1.037 700 V CA -0.540 61.881 62.300 0.202 0.000 0.900 700 V CB 1.656 33.578 31.823 0.165 0.000 0.983 700 V HN 0.424 nan 8.190 nan 0.000 0.459 701 V N 5.051 125.041 119.914 0.127 0.000 2.604 701 V HA 0.409 4.537 4.120 0.013 0.000 0.305 701 V C -0.325 175.832 176.094 0.106 0.000 1.043 701 V CA -0.770 61.588 62.300 0.097 0.000 0.888 701 V CB 2.031 33.885 31.823 0.052 0.000 0.995 701 V HN 0.889 nan 8.190 nan 0.000 0.429 702 Q N 5.424 125.299 119.800 0.125 0.000 2.360 702 Q HA 0.281 4.628 4.340 0.013 0.000 0.254 702 Q C -1.797 174.236 176.000 0.055 0.000 0.975 702 Q CA -1.756 54.112 55.803 0.108 0.000 0.912 702 Q CB 1.976 30.795 28.738 0.135 0.000 1.212 702 Q HN 0.469 nan 8.270 nan 0.000 0.452 703 P HA -0.130 nan 4.420 nan 0.000 0.220 703 P C -0.524 176.776 177.300 0.001 0.000 1.152 703 P CA 1.029 64.142 63.100 0.022 0.000 0.812 703 P CB 0.417 32.133 31.700 0.028 0.000 0.792 704 N N -0.576 118.119 118.700 -0.009 0.000 2.443 704 N HA 0.455 5.202 4.740 0.013 0.000 0.295 704 N C -0.330 175.132 175.510 -0.079 0.000 1.076 704 N CA -0.696 52.334 53.050 -0.034 0.000 0.919 704 N CB 1.090 39.562 38.487 -0.027 0.000 1.176 704 N HN -0.069 nan 8.380 nan 0.000 0.487 705 A N 0.805 123.571 122.820 -0.089 0.000 2.406 705 A HA 0.443 4.770 4.320 0.013 0.000 0.243 705 A C 0.582 178.051 177.584 -0.192 0.000 1.082 705 A CA 0.004 51.954 52.037 -0.145 0.000 0.786 705 A CB 0.037 18.976 19.000 -0.101 0.000 1.029 705 A HN 0.704 nan 8.150 nan 0.000 0.495 706 T N -3.050 111.312 114.554 -0.320 0.000 2.742 706 T HA 0.629 4.986 4.350 0.013 0.000 0.282 706 T C 0.973 175.523 174.700 -0.251 0.000 1.025 706 T CA 0.060 61.955 62.100 -0.341 0.000 1.020 706 T CB 1.061 69.502 68.868 -0.711 0.000 1.317 706 T HN 1.359 nan 8.240 nan 0.000 0.538 707 A N -0.123 122.630 122.820 -0.111 0.000 2.067 707 A HA 0.115 4.442 4.320 0.013 0.000 0.219 707 A C 1.613 179.313 177.584 0.192 0.000 1.158 707 A CA 1.068 53.136 52.037 0.051 0.000 0.661 707 A CB -0.869 18.182 19.000 0.085 0.000 0.801 707 A HN 0.911 nan 8.150 nan 0.000 0.452 708 W N -0.781 120.582 121.300 0.105 0.000 2.714 708 W HA 0.433 5.101 4.660 0.014 0.000 0.353 708 W C -0.263 176.237 176.519 -0.032 0.000 0.999 708 W CA 0.457 57.851 57.345 0.082 0.000 1.629 708 W CB -1.032 28.471 29.460 0.071 0.000 1.106 708 W HN 0.408 nan 8.180 nan 0.000 0.545 709 S N -0.189 115.113 115.700 -0.662 0.000 2.565 709 S HA 0.432 4.909 4.470 0.013 0.000 0.269 709 S C -0.970 173.406 174.600 -0.373 0.000 1.153 709 S CA -0.772 57.059 58.200 -0.614 0.000 0.835 709 S CB 2.733 65.182 63.200 -1.251 0.000 1.122 709 S HN 0.111 nan 8.310 nan 0.000 0.462 710 E N 0.466 120.557 120.200 -0.182 0.000 2.280 710 E HA 0.588 4.946 4.350 0.013 0.000 0.264 710 E C 0.238 176.802 176.600 -0.061 0.000 1.064 710 E CA -0.852 55.496 56.400 -0.087 0.000 0.900 710 E CB 1.368 31.059 29.700 -0.016 0.000 1.123 710 E HN 0.872 nan 8.360 nan 0.000 0.418 711 A N 0.428 123.220 122.820 -0.045 0.000 2.498 711 A HA 0.376 4.704 4.320 0.013 0.000 0.239 711 A C 1.106 178.694 177.584 0.006 0.000 1.068 711 A CA 0.839 52.860 52.037 -0.026 0.000 0.766 711 A CB -0.414 18.572 19.000 -0.023 0.000 1.003 711 A HN 0.802 nan 8.150 nan 0.000 0.497 712 G N 0.530 109.342 108.800 0.020 0.000 2.176 712 G HA2 -0.250 3.718 3.960 0.013 0.000 0.253 712 G HA3 -0.250 3.718 3.960 0.013 0.000 0.253 712 G C 0.241 175.171 174.900 0.051 0.000 0.979 712 G CA 0.703 45.815 45.100 0.019 0.000 0.641 712 G HN 1.803 nan 8.290 nan 0.000 0.530 713 H N 0.586 119.652 119.070 -0.006 0.000 3.001 713 H HA 0.434 4.998 4.556 0.013 0.000 0.334 713 H C 0.689 176.080 175.328 0.104 0.000 1.034 713 H CA 0.420 56.492 56.048 0.040 0.000 1.420 713 H CB 0.183 29.948 29.762 0.005 0.000 1.405 713 H HN 0.306 nan 8.280 nan 0.000 0.593 714 I N 4.516 124.825 120.570 -0.434 0.000 2.331 714 I HA 0.051 4.229 4.170 0.013 0.000 0.292 714 I C 0.797 176.780 176.117 -0.223 0.000 0.998 714 I CA 0.038 61.227 61.300 -0.184 0.000 1.267 714 I CB 1.596 39.545 38.000 -0.084 0.000 1.386 714 I HN 0.805 nan 8.210 nan 0.000 0.476 715 S N 3.974 119.769 115.700 0.157 0.000 2.512 715 S HA 0.583 5.061 4.470 0.013 0.000 0.216 715 S C 0.374 175.245 174.600 0.451 0.000 1.006 715 S CA -0.134 58.294 58.200 0.380 0.000 0.915 715 S CB 0.653 64.199 63.200 0.577 0.000 0.824 715 S HN 0.691 nan 8.310 nan 0.000 0.497 716 A N 0.633 123.753 122.820 0.500 0.000 2.605 716 A HA 0.689 5.016 4.320 0.013 0.000 0.294 716 A C -1.767 176.190 177.584 0.621 0.000 1.062 716 A CA -0.949 51.362 52.037 0.458 0.000 0.682 716 A CB 0.522 19.856 19.000 0.557 0.000 1.278 716 A HN 0.876 nan 8.150 nan 0.000 0.410 717 W N -0.097 121.391 121.300 0.313 0.000 3.005 717 W HA 0.814 5.482 4.660 0.014 0.000 0.343 717 W C -1.152 175.413 176.519 0.076 0.000 1.243 717 W CA -0.646 56.769 57.345 0.117 0.000 1.186 717 W CB 1.196 30.692 29.460 0.060 0.000 1.453 717 W HN 1.038 nan 8.180 nan 0.000 0.575 718 Q N 0.939 120.793 119.800 0.090 0.000 2.594 718 Q HA 0.411 4.759 4.340 0.013 0.000 0.278 718 Q C -1.652 174.195 176.000 -0.255 0.000 0.961 718 Q CA -0.436 55.262 55.803 -0.176 0.000 0.844 718 Q CB 2.239 30.681 28.738 -0.493 0.000 1.475 718 Q HN 0.625 nan 8.270 nan 0.000 0.389 719 Q N 1.395 120.997 119.800 -0.331 0.000 2.451 719 Q HA 0.657 5.004 4.340 0.013 0.000 0.281 719 Q C -1.079 174.781 176.000 -0.233 0.000 1.099 719 Q CA -0.745 55.045 55.803 -0.021 0.000 0.806 719 Q CB 2.508 31.431 28.738 0.308 0.000 1.419 719 Q HN 0.601 nan 8.270 nan 0.000 0.427 720 W N 0.682 122.148 121.300 0.277 0.000 3.107 720 W HA 0.442 5.109 4.660 0.012 0.000 0.331 720 W C -0.410 176.043 176.519 -0.109 0.000 1.204 720 W CA -0.699 56.703 57.345 0.096 0.000 1.184 720 W CB 1.706 31.182 29.460 0.027 0.000 1.421 720 W HN 0.416 nan 8.180 nan 0.000 0.544 721 R N 1.808 122.153 120.500 -0.258 0.000 2.389 721 R HA 0.389 4.737 4.340 0.013 0.000 0.295 721 R C 0.456 176.611 176.300 -0.242 0.000 1.075 721 R CA -0.029 55.672 56.100 -0.664 0.000 1.005 721 R CB 0.906 30.764 30.300 -0.737 0.000 0.987 721 R HN 0.295 nan 8.270 nan 0.000 0.452 722 L N 1.401 122.491 121.223 -0.221 0.000 2.793 722 L HA 0.536 4.884 4.340 0.013 0.000 0.188 722 L C 0.611 177.403 176.870 -0.131 0.000 1.949 722 L CA -1.035 53.735 54.840 -0.117 0.000 2.556 722 L CB -0.114 41.911 42.059 -0.057 0.000 2.898 722 L HN 0.572 nan 8.230 nan 0.000 0.621 723 A N 0.236 123.005 122.820 -0.086 0.000 2.386 723 A HA 0.247 4.575 4.320 0.013 0.000 0.248 723 A C -0.352 177.184 177.584 -0.080 0.000 1.082 723 A CA 0.109 52.101 52.037 -0.075 0.000 0.789 723 A CB 0.241 19.213 19.000 -0.046 0.000 1.025 723 A HN 0.603 nan 8.150 nan 0.000 0.490 724 E N 1.022 121.179 120.200 -0.072 0.000 2.222 724 E HA 0.308 4.666 4.350 0.013 0.000 0.267 724 E C -1.342 175.243 176.600 -0.025 0.000 0.884 724 E CA -0.717 55.647 56.400 -0.059 0.000 0.764 724 E CB 0.830 30.484 29.700 -0.076 0.000 1.169 724 E HN 0.683 nan 8.360 nan 0.000 0.413 725 N N 5.127 123.825 118.700 -0.004 0.000 2.558 725 N HA 0.255 5.003 4.740 0.013 0.000 0.242 725 N C -0.593 174.927 175.510 0.018 0.000 0.979 725 N CA -0.315 52.740 53.050 0.007 0.000 0.931 725 N CB 1.062 39.558 38.487 0.015 0.000 1.122 725 N HN 0.465 nan 8.380 nan 0.000 0.508 726 L N 0.755 121.988 121.223 0.015 0.000 2.426 726 L HA 0.114 4.461 4.340 0.013 0.000 0.271 726 L C 1.295 178.184 176.870 0.032 0.000 1.169 726 L CA 0.054 54.909 54.840 0.026 0.000 0.836 726 L CB 0.561 42.634 42.059 0.023 0.000 1.112 726 L HN 0.355 nan 8.230 nan 0.000 0.465 727 S N 1.531 117.256 115.700 0.041 0.000 2.505 727 S HA 0.226 4.704 4.470 0.013 0.000 0.276 727 S C 0.597 175.220 174.600 0.038 0.000 1.274 727 S CA -0.747 57.477 58.200 0.041 0.000 1.053 727 S CB 0.841 64.072 63.200 0.051 0.000 0.919 727 S HN 0.471 nan 8.310 nan 0.000 0.490 728 V N 2.190 122.123 119.914 0.032 0.000 3.477 728 V HA 0.350 4.477 4.120 0.013 0.000 0.297 728 V C 0.562 176.672 176.094 0.027 0.000 1.433 728 V CA 0.147 62.464 62.300 0.028 0.000 1.052 728 V CB -0.513 31.324 31.823 0.022 0.000 0.895 728 V HN 0.841 nan 8.190 nan 0.000 0.438 729 T N 0.648 115.220 114.554 0.030 0.000 2.806 729 T HA 0.723 5.081 4.350 0.013 0.000 0.290 729 T C -0.346 174.373 174.700 0.031 0.000 0.966 729 T CA -0.440 61.677 62.100 0.028 0.000 1.060 729 T CB 1.532 70.417 68.868 0.028 0.000 0.927 729 T HN 0.209 nan 8.240 nan 0.000 0.485 730 L N 4.526 125.765 121.223 0.026 0.000 2.426 730 L HA 0.382 4.729 4.340 0.013 0.000 0.271 730 L C -1.567 175.319 176.870 0.027 0.000 1.169 730 L CA -1.515 53.340 54.840 0.026 0.000 0.836 730 L CB -0.555 41.515 42.059 0.018 0.000 1.112 730 L HN 0.562 nan 8.230 nan 0.000 0.465 731 P HA 0.258 nan 4.420 nan 0.000 0.271 731 P C -0.514 176.798 177.300 0.020 0.000 1.220 731 P CA -0.467 62.654 63.100 0.034 0.000 0.768 731 P CB 0.826 32.551 31.700 0.041 0.000 0.848 732 A N 2.995 125.827 122.820 0.021 0.000 2.429 732 A HA 0.454 4.782 4.320 0.013 0.000 0.242 732 A C 0.597 178.151 177.584 -0.050 0.000 1.088 732 A CA -0.015 52.021 52.037 -0.001 0.000 0.784 732 A CB -0.331 18.682 19.000 0.021 0.000 1.038 732 A HN 0.685 nan 8.150 nan 0.000 0.501 733 A N 1.488 124.247 122.820 -0.103 0.000 2.488 733 A HA 0.482 4.810 4.320 0.013 0.000 0.249 733 A C 0.909 178.244 177.584 -0.415 0.000 1.083 733 A CA 0.354 52.284 52.037 -0.179 0.000 0.768 733 A CB -0.541 18.369 19.000 -0.151 0.000 1.017 733 A HN 1.851 nan 8.150 nan 0.000 0.496 734 S N 2.024 117.548 115.700 -0.292 0.000 2.549 734 S HA 0.276 4.754 4.470 0.013 0.000 0.279 734 S C -0.115 174.272 174.600 -0.356 0.000 1.321 734 S CA -0.366 57.677 58.200 -0.261 0.000 1.054 734 S CB 0.103 63.299 63.200 -0.008 0.000 0.899 734 S HN 0.670 nan 8.310 nan 0.000 0.497 735 H N 1.397 120.481 119.070 0.024 0.000 2.713 735 H HA 0.715 5.278 4.556 0.013 0.000 0.294 735 H C 0.347 175.689 175.328 0.022 0.000 1.366 735 H CA 0.277 56.337 56.048 0.020 0.000 1.139 735 H CB -0.931 28.841 29.762 0.016 0.000 1.487 735 H HN 0.936 nan 8.280 nan 0.000 0.504 736 A N 0.754 123.631 122.820 0.096 0.000 2.549 736 A HA 0.508 4.835 4.320 0.013 0.000 0.291 736 A C -1.705 175.919 177.584 0.066 0.000 1.034 736 A CA -0.790 51.297 52.037 0.085 0.000 0.655 736 A CB 0.777 19.838 19.000 0.101 0.000 1.299 736 A HN 0.327 nan 8.150 nan 0.000 0.427 737 I N -0.120 120.501 120.570 0.084 0.000 2.534 737 I HA 0.790 4.968 4.170 0.013 0.000 0.288 737 I C -2.991 173.221 176.117 0.159 0.000 1.077 737 I CA -1.996 59.364 61.300 0.100 0.000 1.051 737 I CB 2.267 40.318 38.000 0.084 0.000 1.234 737 I HN 0.301 nan 8.210 nan 0.000 0.425 738 P HA 0.268 nan 4.420 nan 0.000 0.274 738 P C -1.196 176.280 177.300 0.294 0.000 1.231 738 P CA 0.181 63.374 63.100 0.156 0.000 0.790 738 P CB 0.322 32.053 31.700 0.052 0.000 0.951 739 H N 0.519 119.621 119.070 0.053 0.000 2.472 739 H HA 0.443 5.007 4.556 0.013 0.000 0.338 739 H C -0.505 174.853 175.328 0.049 0.000 1.133 739 H CA -0.966 55.105 56.048 0.038 0.000 1.216 739 H CB 1.813 31.599 29.762 0.041 0.000 1.497 739 H HN 0.250 nan 8.280 nan 0.000 0.500 740 L N 1.976 123.262 121.223 0.105 0.000 2.317 740 L HA 0.374 4.721 4.340 0.013 0.000 0.281 740 L C -0.590 176.334 176.870 0.089 0.000 1.024 740 L CA -0.050 54.838 54.840 0.081 0.000 0.810 740 L CB 1.858 43.912 42.059 -0.008 0.000 1.240 740 L HN 0.526 nan 8.230 nan 0.000 0.427 741 T N 3.184 117.816 114.554 0.130 0.000 2.848 741 T HA 0.594 4.952 4.350 0.013 0.000 0.285 741 T C -0.605 174.196 174.700 0.167 0.000 0.995 741 T CA -0.375 61.796 62.100 0.118 0.000 0.970 741 T CB 1.430 70.359 68.868 0.101 0.000 0.976 741 T HN 0.711 nan 8.240 nan 0.000 0.441 742 T N 2.466 117.112 114.554 0.154 0.000 2.912 742 T HA 0.831 5.188 4.350 0.013 0.000 0.288 742 T C -0.322 174.425 174.700 0.078 0.000 1.030 742 T CA -0.743 61.471 62.100 0.190 0.000 1.020 742 T CB 1.559 70.565 68.868 0.230 0.000 1.056 742 T HN 0.745 nan 8.240 nan 0.000 0.480 743 S N 0.096 115.802 115.700 0.010 0.000 2.671 743 S HA 0.441 4.919 4.470 0.013 0.000 0.277 743 S C 0.755 175.301 174.600 -0.089 0.000 1.165 743 S CA -0.866 57.319 58.200 -0.024 0.000 0.822 743 S CB 1.643 64.834 63.200 -0.015 0.000 1.150 743 S HN 0.728 nan 8.310 nan 0.000 0.479 744 E N -0.427 119.731 120.200 -0.070 0.000 2.160 744 E HA -0.110 4.248 4.350 0.013 0.000 0.195 744 E C 1.030 177.547 176.600 -0.138 0.000 0.991 744 E CA 1.237 57.581 56.400 -0.093 0.000 0.810 744 E CB -0.101 29.567 29.700 -0.054 0.000 0.742 744 E HN 0.587 nan 8.360 nan 0.000 0.466 745 M N 0.288 119.821 119.600 -0.112 0.000 2.465 745 M HA 0.166 4.654 4.480 0.013 0.000 0.249 745 M C -0.203 176.019 176.300 -0.130 0.000 1.130 745 M CA 0.513 55.752 55.300 -0.101 0.000 1.067 745 M CB 0.474 33.050 32.600 -0.041 0.000 1.394 745 M HN -0.113 nan 8.290 nan 0.000 0.483 746 D N -0.896 119.403 120.400 -0.168 0.000 2.602 746 D HA 0.398 5.045 4.640 0.013 0.000 0.236 746 D C -1.544 174.656 176.300 -0.167 0.000 1.209 746 D CA -0.318 53.612 54.000 -0.116 0.000 0.831 746 D CB 2.517 43.336 40.800 0.032 0.000 1.478 746 D HN -0.175 nan 8.370 nan 0.000 0.438 747 F N 1.041 121.076 119.950 0.142 0.000 2.427 747 F HA 0.349 4.883 4.527 0.013 0.000 0.348 747 F C 0.060 175.996 175.800 0.226 0.000 1.125 747 F CA -0.786 57.293 58.000 0.132 0.000 0.989 747 F CB 1.103 40.141 39.000 0.064 0.000 1.165 747 F HN 0.110 nan 8.300 nan 0.000 0.442 748 C N 4.931 124.451 119.300 0.367 0.000 2.382 748 C HA 0.791 5.259 4.460 0.013 0.000 0.327 748 C C -0.103 175.063 174.990 0.293 0.000 1.250 748 C CA -0.881 58.327 59.018 0.316 0.000 1.707 748 C CB 0.538 28.391 27.740 0.188 0.000 2.272 748 C HN 0.567 nan 8.230 nan 0.000 0.506 749 I N 2.302 123.094 120.570 0.371 0.000 2.509 749 I HA 0.508 4.686 4.170 0.013 0.000 0.293 749 I C -0.167 176.215 176.117 0.442 0.000 1.020 749 I CA -0.132 61.373 61.300 0.343 0.000 1.088 749 I CB 1.529 39.707 38.000 0.297 0.000 1.267 749 I HN 0.670 nan 8.210 nan 0.000 0.430 750 E N 5.593 125.986 120.200 0.322 0.000 2.248 750 E HA 0.743 5.100 4.350 0.013 0.000 0.267 750 E C -1.877 174.870 176.600 0.245 0.000 0.877 750 E CA -0.819 55.737 56.400 0.260 0.000 0.759 750 E CB 2.189 31.944 29.700 0.092 0.000 1.182 750 E HN 0.527 nan 8.360 nan 0.000 0.418 751 L N 5.088 126.482 121.223 0.285 0.000 2.541 751 L HA 0.563 4.910 4.340 0.013 0.000 0.266 751 L C 0.175 177.116 176.870 0.119 0.000 0.966 751 L CA 0.688 55.653 54.840 0.208 0.000 0.871 751 L CB 1.305 43.564 42.059 0.334 0.000 1.232 751 L HN 0.793 nan 8.230 nan 0.000 0.408 752 G N 4.516 113.335 108.800 0.032 0.000 2.622 752 G HA2 -0.434 3.533 3.960 0.013 0.000 0.307 752 G HA3 -0.434 3.533 3.960 0.013 0.000 0.307 752 G C 0.516 175.403 174.900 -0.022 0.000 1.226 752 G CA 0.647 45.748 45.100 0.003 0.000 0.997 752 G HN 1.290 nan 8.290 nan 0.000 0.551 753 N N 1.468 120.149 118.700 -0.031 0.000 2.370 753 N HA 0.124 4.871 4.740 0.013 0.000 0.198 753 N C 0.381 175.831 175.510 -0.099 0.000 1.156 753 N CA 0.848 53.862 53.050 -0.060 0.000 0.839 753 N CB 0.210 38.664 38.487 -0.056 0.000 0.989 753 N HN 0.734 nan 8.380 nan 0.000 0.468 754 K N 0.237 120.569 120.400 -0.114 0.000 2.259 754 K HA 0.528 4.856 4.320 0.013 0.000 0.249 754 K C -0.396 176.009 176.600 -0.325 0.000 0.942 754 K CA -0.636 55.459 56.287 -0.320 0.000 0.816 754 K CB 2.163 34.395 32.500 -0.447 0.000 1.155 754 K HN -0.018 nan 8.250 nan 0.000 0.428 755 R N 1.162 121.384 120.500 -0.463 0.000 2.698 755 R HA 0.435 4.782 4.340 0.013 0.000 0.275 755 R C -1.275 174.927 176.300 -0.164 0.000 1.001 755 R CA -0.885 55.142 56.100 -0.122 0.000 0.896 755 R CB 1.855 32.121 30.300 -0.057 0.000 1.218 755 R HN 0.540 nan 8.270 nan 0.000 0.462 756 W N 1.894 123.312 121.300 0.197 0.000 2.883 756 W HA 0.350 5.017 4.660 0.013 0.000 0.335 756 W C -0.564 176.056 176.519 0.168 0.000 1.083 756 W CA -0.556 56.854 57.345 0.108 0.000 1.233 756 W CB 2.322 31.841 29.460 0.098 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.511 122.450 119.800 0.232 0.000 2.310 757 Q HA 0.449 4.796 4.340 0.013 0.000 0.270 757 Q C -1.927 174.061 176.000 -0.020 0.000 1.025 757 Q CA -0.460 55.485 55.803 0.238 0.000 0.772 757 Q CB 1.396 30.327 28.738 0.321 0.000 1.253 757 Q HN 0.320 nan 8.270 nan 0.000 0.450 758 F N 2.742 122.790 119.950 0.163 0.000 2.411 758 F HA 0.329 4.863 4.527 0.013 0.000 0.352 758 F C 0.573 176.417 175.800 0.074 0.000 1.123 758 F CA -0.864 57.200 58.000 0.107 0.000 1.044 758 F CB 1.272 40.344 39.000 0.119 0.000 1.135 758 F HN 0.512 nan 8.300 nan 0.000 0.461 759 N N 3.596 122.408 118.700 0.186 0.000 2.442 759 N HA 0.078 4.826 4.740 0.013 0.000 0.265 759 N C 0.875 176.413 175.510 0.047 0.000 1.138 759 N CA 0.048 53.157 53.050 0.100 0.000 0.956 759 N CB 0.739 39.291 38.487 0.107 0.000 1.067 759 N HN 0.691 nan 8.380 nan 0.000 0.474 760 R N 2.234 122.688 120.500 -0.077 0.000 2.276 760 R HA -0.063 4.284 4.340 0.013 0.000 0.203 760 R C 1.650 177.898 176.300 -0.088 0.000 1.017 760 R CA 0.582 56.593 56.100 -0.149 0.000 1.010 760 R CB 0.204 30.290 30.300 -0.358 0.000 0.900 760 R HN 0.688 nan 8.270 nan 0.000 0.469 761 Q N 0.477 120.252 119.800 -0.042 0.000 2.123 761 Q HA -0.076 4.271 4.340 0.013 0.000 0.196 761 Q C 1.850 177.850 176.000 0.001 0.000 0.958 761 Q CA 1.600 57.390 55.803 -0.022 0.000 0.841 761 Q CB 0.271 29.011 28.738 0.002 0.000 0.915 761 Q HN 0.283 nan 8.270 nan 0.000 0.455 762 S N -1.735 113.994 115.700 0.048 0.000 2.470 762 S HA 0.197 4.675 4.470 0.013 0.000 0.222 762 S C 1.417 175.978 174.600 -0.064 0.000 1.024 762 S CA 0.629 58.886 58.200 0.094 0.000 0.931 762 S CB 0.456 63.824 63.200 0.279 0.000 0.791 762 S HN 0.649 nan 8.310 nan 0.000 0.513 763 G N 0.410 109.174 108.800 -0.061 0.000 2.136 763 G HA2 -0.194 3.774 3.960 0.013 0.000 0.242 763 G HA3 -0.194 3.774 3.960 0.013 0.000 0.242 763 G C -0.192 174.630 174.900 -0.129 0.000 0.989 763 G CA 0.293 45.320 45.100 -0.122 0.000 0.682 763 G HN 0.475 nan 8.290 nan 0.000 0.522 764 F N -1.196 118.937 119.950 0.304 0.000 2.575 764 F HA 0.720 5.255 4.527 0.013 0.000 0.330 764 F C 0.407 176.242 175.800 0.059 0.000 1.056 764 F CA -1.710 56.429 58.000 0.231 0.000 0.964 764 F CB 1.298 40.390 39.000 0.153 0.000 1.258 764 F HN 0.023 nan 8.300 nan 0.000 0.484 765 L N 1.807 123.086 121.223 0.092 0.000 2.456 765 L HA 0.200 4.547 4.340 0.013 0.000 0.277 765 L C 0.987 177.759 176.870 -0.162 0.000 1.124 765 L CA 0.513 55.087 54.840 -0.442 0.000 0.880 765 L CB 0.207 41.939 42.059 -0.545 0.000 1.192 765 L HN 0.710 nan 8.230 nan 0.000 0.463 766 S N 2.588 118.194 115.700 -0.158 0.000 2.492 766 S HA 0.242 4.719 4.470 0.013 0.000 0.218 766 S C 0.577 175.064 174.600 -0.187 0.000 1.016 766 S CA -0.032 58.115 58.200 -0.088 0.000 0.916 766 S CB 0.102 63.301 63.200 -0.001 0.000 0.791 766 S HN 0.682 nan 8.310 nan 0.000 0.513 767 Q N -0.279 119.354 119.800 -0.278 0.000 2.527 767 Q HA 0.670 5.017 4.340 0.013 0.000 0.280 767 Q C -2.002 173.667 176.000 -0.551 0.000 0.977 767 Q CA -0.292 55.211 55.803 -0.500 0.000 0.837 767 Q CB 1.694 30.012 28.738 -0.700 0.000 1.454 767 Q HN 0.426 nan 8.270 nan 0.000 0.387 768 M N 1.495 120.653 119.600 -0.738 0.000 2.484 768 M HA 0.580 5.068 4.480 0.013 0.000 0.289 768 M C -1.520 174.390 176.300 -0.650 0.000 1.206 768 M CA -0.435 54.513 55.300 -0.587 0.000 0.892 768 M CB 2.217 34.451 32.600 -0.609 0.000 1.712 768 M HN 0.497 nan 8.290 nan 0.000 0.462 769 W N 3.413 124.472 121.300 -0.402 0.000 2.785 769 W HA 0.645 5.312 4.660 0.013 0.000 0.333 769 W C -1.342 174.969 176.519 -0.347 0.000 1.062 769 W CA -0.631 56.538 57.345 -0.294 0.000 1.233 769 W CB 1.651 30.978 29.460 -0.222 0.000 1.413 769 W HN 0.472 nan 8.180 nan 0.000 0.489 770 I N 2.640 123.177 120.570 -0.055 0.000 2.418 770 I HA 0.477 4.655 4.170 0.013 0.000 0.287 770 I C 0.808 176.894 176.117 -0.051 0.000 1.008 770 I CA 0.160 61.392 61.300 -0.113 0.000 1.104 770 I CB 1.362 39.270 38.000 -0.153 0.000 1.264 770 I HN 0.709 nan 8.210 nan 0.000 0.438 771 G N 5.658 114.424 108.800 -0.056 0.000 2.556 771 G HA2 -0.247 3.721 3.960 0.013 0.000 0.283 771 G HA3 -0.247 3.721 3.960 0.013 0.000 0.283 771 G C 0.129 175.030 174.900 0.003 0.000 1.177 771 G CA 0.284 45.361 45.100 -0.037 0.000 0.978 771 G HN 0.616 nan 8.290 nan 0.000 0.554 772 D N 1.279 121.694 120.400 0.026 0.000 2.501 772 D HA 0.283 4.931 4.640 0.013 0.000 0.224 772 D C 0.175 176.601 176.300 0.210 0.000 1.202 772 D CA 0.176 54.224 54.000 0.080 0.000 0.829 772 D CB 0.579 41.382 40.800 0.004 0.000 1.023 772 D HN 0.313 nan 8.370 nan 0.000 0.499 773 K N 1.091 121.568 120.400 0.128 0.000 2.211 773 K HA 0.283 4.610 4.320 0.013 0.000 0.275 773 K C 0.251 176.822 176.600 -0.049 0.000 1.024 773 K CA -0.401 55.921 56.287 0.058 0.000 0.887 773 K CB 1.693 34.180 32.500 -0.022 0.000 1.084 773 K HN -0.216 nan 8.250 nan 0.000 0.463 774 K N 2.203 122.494 120.400 -0.182 0.000 2.448 774 K HA -0.028 4.299 4.320 0.013 0.000 0.278 774 K C 0.643 177.044 176.600 -0.332 0.000 1.009 774 K CA 0.029 55.991 56.287 -0.541 0.000 0.995 774 K CB 0.510 32.745 32.500 -0.441 0.000 0.917 774 K HN 0.461 nan 8.250 nan 0.000 0.481 775 Q N 1.411 120.985 119.800 -0.375 0.000 2.350 775 Q HA 0.193 4.541 4.340 0.013 0.000 0.225 775 Q C 0.092 176.014 176.000 -0.131 0.000 0.878 775 Q CA 0.479 56.190 55.803 -0.154 0.000 0.935 775 Q CB 0.554 29.245 28.738 -0.077 0.000 1.099 775 Q HN 0.505 nan 8.270 nan 0.000 0.527 776 L N 0.558 121.635 121.223 -0.243 0.000 2.362 776 L HA 0.398 4.746 4.340 0.013 0.000 0.271 776 L C 0.881 177.621 176.870 -0.217 0.000 1.002 776 L CA -0.380 54.341 54.840 -0.199 0.000 0.818 776 L CB 1.781 43.713 42.059 -0.211 0.000 1.298 776 L HN -0.083 nan 8.230 nan 0.000 0.420 777 L N 0.488 121.577 121.223 -0.223 0.000 2.470 777 L HA 0.172 4.520 4.340 0.013 0.000 0.219 777 L C 0.654 177.404 176.870 -0.200 0.000 1.071 777 L CA 0.457 55.170 54.840 -0.212 0.000 0.850 777 L CB 0.470 42.386 42.059 -0.238 0.000 1.040 777 L HN 0.750 nan 8.230 nan 0.000 0.475 778 T N -2.976 111.434 114.554 -0.241 0.000 2.909 778 T HA 0.547 4.905 4.350 0.013 0.000 0.299 778 T C -2.849 171.775 174.700 -0.127 0.000 1.073 778 T CA -2.104 59.903 62.100 -0.156 0.000 0.999 778 T CB 2.259 71.047 68.868 -0.134 0.000 1.098 778 T HN -0.308 nan 8.240 nan 0.000 0.477 779 P HA 0.232 nan 4.420 nan 0.000 0.271 779 P C -0.571 176.684 177.300 -0.075 0.000 1.233 779 P CA -0.736 62.326 63.100 -0.064 0.000 0.789 779 P CB 0.294 31.985 31.700 -0.015 0.000 0.951 780 L N 2.802 124.016 121.223 -0.016 0.000 2.325 780 L HA 0.277 4.624 4.340 0.013 0.000 0.284 780 L C 0.097 176.896 176.870 -0.119 0.000 1.089 780 L CA 0.570 55.431 54.840 0.036 0.000 0.836 780 L CB -0.609 41.584 42.059 0.223 0.000 1.184 780 L HN 0.279 nan 8.230 nan 0.000 0.444 781 R N 2.871 123.208 120.500 -0.272 0.000 2.795 781 R HA 0.445 4.792 4.340 0.013 0.000 0.275 781 R C -0.970 175.178 176.300 -0.254 0.000 0.981 781 R CA -1.048 54.692 56.100 -0.599 0.000 0.917 781 R CB 1.369 31.230 30.300 -0.732 0.000 1.202 781 R HN 0.560 nan 8.270 nan 0.000 0.469 782 D N 1.168 121.489 120.400 -0.132 0.000 2.378 782 D HA 0.037 4.685 4.640 0.013 0.000 0.238 782 D C -0.374 175.569 176.300 -0.595 0.000 1.180 782 D CA 0.419 54.214 54.000 -0.342 0.000 0.895 782 D CB 0.648 41.211 40.800 -0.395 0.000 1.192 782 D HN 0.222 nan 8.370 nan 0.000 0.438 783 Q N 0.857 120.100 119.800 -0.929 0.000 2.271 783 Q HA 0.319 4.667 4.340 0.013 0.000 0.268 783 Q C -1.345 173.917 176.000 -1.230 0.000 1.021 783 Q CA -0.568 54.729 55.803 -0.844 0.000 0.802 783 Q CB 0.765 29.224 28.738 -0.465 0.000 1.282 783 Q HN 0.479 nan 8.270 nan 0.000 0.431 784 F N 0.640 120.198 119.950 -0.654 0.000 2.706 784 F HA 0.200 4.735 4.527 0.013 0.000 0.313 784 F C 0.565 175.911 175.800 -0.756 0.000 1.096 784 F CA 0.037 57.526 58.000 -0.851 0.000 1.219 784 F CB 1.364 39.519 39.000 -1.408 0.000 1.051 784 F HN 0.456 nan 8.300 nan 0.000 0.568 785 T N -0.854 113.380 114.554 -0.532 0.000 2.926 785 T HA 0.790 5.148 4.350 0.013 0.000 0.289 785 T C -0.454 173.981 174.700 -0.442 0.000 1.054 785 T CA -0.985 60.729 62.100 -0.643 0.000 1.015 785 T CB 2.837 71.246 68.868 -0.764 0.000 1.167 785 T HN 0.230 nan 8.240 nan 0.000 0.526 786 R N -0.128 120.147 120.500 -0.374 0.000 2.837 786 R HA 0.780 5.128 4.340 0.013 0.000 0.271 786 R C -0.803 175.542 176.300 0.075 0.000 0.993 786 R CA -1.250 54.773 56.100 -0.128 0.000 0.931 786 R CB 1.530 31.764 30.300 -0.110 0.000 1.206 786 R HN 0.808 nan 8.270 nan 0.000 0.474 787 A N 3.306 126.158 122.820 0.053 0.000 2.484 787 A HA 0.298 4.625 4.320 0.013 0.000 0.268 787 A C -2.009 175.635 177.584 0.100 0.000 1.114 787 A CA -1.358 50.713 52.037 0.058 0.000 0.780 787 A CB -0.416 18.563 19.000 -0.036 0.000 1.061 787 A HN 0.560 nan 8.150 nan 0.000 0.505 788 P HA 0.147 nan 4.420 nan 0.000 0.268 788 P C -0.258 177.147 177.300 0.176 0.000 1.204 788 P CA 0.254 63.507 63.100 0.255 0.000 0.768 788 P CB 0.499 32.386 31.700 0.311 0.000 0.842 789 L N 2.429 123.722 121.223 0.117 0.000 2.456 789 L HA 0.151 4.499 4.340 0.013 0.000 0.257 789 L C 1.857 178.723 176.870 -0.006 0.000 1.162 789 L CA -0.477 54.361 54.840 -0.003 0.000 0.808 789 L CB -0.021 41.966 42.059 -0.120 0.000 1.136 789 L HN 0.317 nan 8.230 nan 0.000 0.466 790 D N 0.536 120.872 120.400 -0.107 0.000 2.133 790 D HA -0.180 4.468 4.640 0.013 0.000 0.195 790 D C 1.543 177.747 176.300 -0.160 0.000 0.997 790 D CA 1.550 55.406 54.000 -0.240 0.000 0.840 790 D CB 0.022 40.592 40.800 -0.382 0.000 0.947 790 D HN 0.493 nan 8.370 nan 0.000 0.452 791 N N 0.955 119.583 118.700 -0.121 0.000 2.396 791 N HA -0.097 4.651 4.740 0.013 0.000 0.180 791 N C 1.109 176.622 175.510 0.005 0.000 1.028 791 N CA 0.629 53.639 53.050 -0.067 0.000 0.893 791 N CB -0.097 38.343 38.487 -0.078 0.000 0.967 791 N HN 0.259 nan 8.380 nan 0.000 0.440 792 D N 0.340 120.758 120.400 0.029 0.000 2.234 792 D HA 0.069 4.717 4.640 0.013 0.000 0.205 792 D C 1.940 178.274 176.300 0.057 0.000 0.962 792 D CA 0.362 54.415 54.000 0.088 0.000 0.855 792 D CB 0.230 41.157 40.800 0.213 0.000 0.951 792 D HN 0.312 nan 8.370 nan 0.000 0.500 793 I N 0.214 120.801 120.570 0.028 0.000 2.585 793 I HA 0.063 4.241 4.170 0.013 0.000 0.254 793 I C 1.811 177.934 176.117 0.010 0.000 1.129 793 I CA 0.517 61.821 61.300 0.006 0.000 1.455 793 I CB -0.278 37.693 38.000 -0.049 0.000 1.111 793 I HN 0.030 nan 8.210 nan 0.000 0.433 794 G N 1.598 110.414 108.800 0.026 0.000 2.611 794 G HA2 -0.370 3.598 3.960 0.013 0.000 0.301 794 G HA3 -0.370 3.598 3.960 0.013 0.000 0.301 794 G C 0.796 175.842 174.900 0.245 0.000 1.233 794 G CA 1.008 46.190 45.100 0.135 0.000 0.993 794 G HN 0.503 nan 8.290 nan 0.000 0.553 795 V N -1.694 118.327 119.914 0.178 0.000 3.646 795 V HA 0.556 4.684 4.120 0.013 0.000 0.277 795 V C 1.348 177.467 176.094 0.042 0.000 1.274 795 V CA 1.371 63.735 62.300 0.106 0.000 1.164 795 V CB -0.082 31.709 31.823 -0.054 0.000 0.926 795 V HN 1.159 nan 8.190 nan 0.000 0.442 796 S N 0.928 116.645 115.700 0.029 0.000 2.562 796 S HA 0.328 4.806 4.470 0.013 0.000 0.281 796 S C -0.085 174.520 174.600 0.007 0.000 1.333 796 S CA 0.032 58.233 58.200 0.002 0.000 1.052 796 S CB 0.375 63.571 63.200 -0.008 0.000 0.884 796 S HN 0.817 nan 8.310 nan 0.000 0.506 797 E N 0.878 121.079 120.200 0.001 0.000 2.408 797 E HA 0.541 4.898 4.350 0.013 0.000 0.275 797 E C 0.453 177.058 176.600 0.009 0.000 0.935 797 E CA -0.529 55.876 56.400 0.009 0.000 0.775 797 E CB 1.510 31.214 29.700 0.007 0.000 1.277 797 E HN 0.590 nan 8.360 nan 0.000 0.455 798 A N 0.585 123.416 122.820 0.018 0.000 1.902 798 A HA -0.175 4.152 4.320 0.013 0.000 0.217 798 A C 2.004 179.595 177.584 0.012 0.000 1.181 798 A CA 2.437 54.485 52.037 0.018 0.000 0.623 798 A CB -0.858 18.158 19.000 0.027 0.000 0.818 798 A HN 0.634 nan 8.150 nan 0.000 0.443 799 T N -2.668 111.892 114.554 0.011 0.000 3.072 799 T HA 0.006 4.363 4.350 0.013 0.000 0.266 799 T C 0.801 175.497 174.700 -0.006 0.000 1.127 799 T CA 1.044 63.147 62.100 0.005 0.000 1.107 799 T CB -0.211 68.661 68.868 0.007 0.000 0.910 799 T HN 0.435 nan 8.240 nan 0.000 0.513 800 R N 0.842 121.336 120.500 -0.010 0.000 3.179 800 R HA 0.261 4.608 4.340 0.013 0.000 0.231 800 R C -1.348 174.938 176.300 -0.023 0.000 1.796 800 R CA -0.637 55.450 56.100 -0.022 0.000 1.233 800 R CB 0.031 30.313 30.300 -0.031 0.000 1.545 800 R HN 0.182 nan 8.270 nan 0.000 0.552 801 I N 2.104 122.662 120.570 -0.020 0.000 2.648 801 I HA 0.023 4.201 4.170 0.013 0.000 0.284 801 I C 0.432 176.528 176.117 -0.035 0.000 1.153 801 I CA 0.231 61.518 61.300 -0.022 0.000 1.426 801 I CB 0.801 38.791 38.000 -0.017 0.000 1.381 801 I HN 0.506 nan 8.210 nan 0.000 0.571 802 D N 8.967 129.342 120.400 -0.040 0.000 2.454 802 D HA 0.285 4.933 4.640 0.013 0.000 0.225 802 D C -1.750 174.505 176.300 -0.075 0.000 1.081 802 D CA -2.186 51.781 54.000 -0.056 0.000 0.864 802 D CB 1.609 42.378 40.800 -0.052 0.000 1.040 802 D HN 0.207 nan 8.370 nan 0.000 0.517 803 P HA -0.077 nan 4.420 nan 0.000 0.230 803 P C 0.696 177.906 177.300 -0.152 0.000 1.158 803 P CA 0.516 63.558 63.100 -0.097 0.000 0.769 803 P CB 0.422 32.075 31.700 -0.078 0.000 0.807 804 N N 0.047 118.650 118.700 -0.162 0.000 2.373 804 N HA 0.075 4.823 4.740 0.013 0.000 0.181 804 N C 0.443 175.761 175.510 -0.321 0.000 1.082 804 N CA -0.044 52.864 53.050 -0.236 0.000 0.885 804 N CB -0.322 38.054 38.487 -0.186 0.000 0.977 804 N HN -0.062 nan 8.380 nan 0.000 0.462 805 A N -0.411 122.269 122.820 -0.234 0.000 2.445 805 A HA 0.099 4.427 4.320 0.013 0.000 0.242 805 A C 0.698 178.077 177.584 -0.341 0.000 1.075 805 A CA -0.366 51.530 52.037 -0.234 0.000 0.777 805 A CB -0.160 18.775 19.000 -0.109 0.000 1.013 805 A HN 0.534 nan 8.150 nan 0.000 0.493 806 W N 1.685 122.732 121.300 -0.422 0.000 2.318 806 W HA -0.211 4.457 4.660 0.012 0.000 0.313 806 W C 2.240 178.176 176.519 -0.970 0.000 1.221 806 W CA 1.834 58.663 57.345 -0.860 0.000 1.266 806 W CB -0.380 28.445 29.460 -1.058 0.000 1.150 806 W HN 0.565 nan 8.180 nan 0.000 0.496 807 V N 0.888 120.670 119.914 -0.220 0.000 2.324 807 V HA -0.289 3.838 4.120 0.013 0.000 0.250 807 V C 2.134 178.299 176.094 0.118 0.000 1.060 807 V CA 2.223 64.602 62.300 0.131 0.000 1.042 807 V CB -0.352 31.593 31.823 0.202 0.000 0.650 807 V HN 0.111 nan 8.190 nan 0.000 0.450 808 E N -0.251 119.929 120.200 -0.033 0.000 2.152 808 E HA -0.131 4.227 4.350 0.013 0.000 0.192 808 E C 2.335 178.898 176.600 -0.061 0.000 0.983 808 E CA 0.857 57.242 56.400 -0.026 0.000 0.818 808 E CB -0.263 29.399 29.700 -0.063 0.000 0.758 808 E HN 0.626 nan 8.360 nan 0.000 0.467 809 R N -0.150 120.238 120.500 -0.186 0.000 2.075 809 R HA -0.102 4.246 4.340 0.013 0.000 0.232 809 R C 2.276 178.516 176.300 -0.099 0.000 1.126 809 R CA 1.220 57.193 56.100 -0.212 0.000 0.963 809 R CB -0.177 29.885 30.300 -0.397 0.000 0.858 809 R HN 0.222 nan 8.270 nan 0.000 0.435 810 W N 1.628 122.900 121.300 -0.047 0.000 2.355 810 W HA -0.102 4.565 4.660 0.013 0.000 0.309 810 W C 1.976 178.460 176.519 -0.058 0.000 1.206 810 W CA 0.790 58.009 57.345 -0.211 0.000 1.284 810 W CB -0.752 28.733 29.460 0.042 0.000 1.145 810 W HN 0.100 nan 8.180 nan 0.000 0.502 811 K N 0.060 120.682 120.400 0.370 0.000 2.009 811 K HA -0.125 4.203 4.320 0.013 0.000 0.210 811 K C 2.284 178.947 176.600 0.105 0.000 1.049 811 K CA 1.948 58.403 56.287 0.280 0.000 0.929 811 K CB -0.684 31.926 32.500 0.184 0.000 0.714 811 K HN -0.000 nan 8.250 nan 0.000 0.440 812 A N 1.236 124.087 122.820 0.052 0.000 1.972 812 A HA -0.093 4.235 4.320 0.013 0.000 0.219 812 A C 2.239 179.825 177.584 0.004 0.000 1.169 812 A CA 1.793 53.845 52.037 0.025 0.000 0.635 812 A CB -0.583 18.419 19.000 0.003 0.000 0.810 812 A HN 0.353 nan 8.150 nan 0.000 0.446 813 A N -1.911 120.885 122.820 -0.040 0.000 2.206 813 A HA 0.387 4.715 4.320 0.013 0.000 0.211 813 A C 1.837 179.361 177.584 -0.100 0.000 1.158 813 A CA 1.288 53.310 52.037 -0.025 0.000 0.761 813 A CB -0.882 18.066 19.000 -0.087 0.000 0.801 813 A HN 1.898 nan 8.150 nan 0.000 0.473 814 G N -1.636 106.998 108.800 -0.277 0.000 2.141 814 G HA2 -0.300 3.668 3.960 0.013 0.000 0.242 814 G HA3 -0.300 3.668 3.960 0.013 0.000 0.242 814 G C 0.568 175.449 174.900 -0.032 0.000 0.982 814 G CA 0.647 45.358 45.100 -0.647 0.000 0.662 814 G HN 0.756 nan 8.290 nan 0.000 0.527 815 H N -1.557 117.496 119.070 -0.028 0.000 2.387 815 H HA -0.089 4.474 4.556 0.013 0.000 0.299 815 H C 2.150 177.456 175.328 -0.037 0.000 1.099 815 H CA 1.562 57.615 56.048 0.008 0.000 1.315 815 H CB 0.081 29.797 29.762 -0.077 0.000 1.380 815 H HN 0.573 nan 8.280 nan 0.000 0.513 816 Y N 1.086 121.511 120.300 0.209 0.000 2.519 816 Y HA -0.088 4.470 4.550 0.013 0.000 0.287 816 Y C 2.325 178.308 175.900 0.139 0.000 1.128 816 Y CA 0.623 58.807 58.100 0.141 0.000 1.282 816 Y CB 0.323 38.849 38.460 0.111 0.000 1.027 816 Y HN 0.367 nan 8.280 nan 0.000 0.551 817 Q N -0.502 119.458 119.800 0.267 0.000 2.217 817 Q HA 0.369 4.717 4.340 0.013 0.000 0.217 817 Q C 0.566 176.750 176.000 0.305 0.000 0.844 817 Q CA 0.082 56.040 55.803 0.258 0.000 0.957 817 Q CB 0.194 29.075 28.738 0.239 0.000 1.127 817 Q HN 0.181 nan 8.270 nan 0.000 0.503 818 A N 1.965 124.986 122.820 0.335 0.000 2.498 818 A HA 0.162 4.489 4.320 0.013 0.000 0.239 818 A C -0.130 177.748 177.584 0.489 0.000 1.068 818 A CA 0.065 52.361 52.037 0.431 0.000 0.766 818 A CB 0.270 19.559 19.000 0.483 0.000 1.003 818 A HN 0.290 nan 8.150 nan 0.000 0.497 819 E N 0.986 121.389 120.200 0.338 0.000 2.183 819 E HA 0.473 4.830 4.350 0.013 0.000 0.271 819 E C -0.337 176.205 176.600 -0.095 0.000 0.919 819 E CA -0.639 55.879 56.400 0.196 0.000 0.781 819 E CB 1.955 31.735 29.700 0.132 0.000 1.140 819 E HN 0.760 nan 8.360 nan 0.000 0.402 820 A N 2.207 124.850 122.820 -0.295 0.000 2.492 820 A HA 0.422 4.750 4.320 0.013 0.000 0.254 820 A C -0.000 177.424 177.584 -0.267 0.000 1.091 820 A CA 0.000 51.580 52.037 -0.762 0.000 0.768 820 A CB 0.102 18.818 19.000 -0.474 0.000 1.028 820 A HN 0.591 nan 8.150 nan 0.000 0.498 821 A N 2.848 125.517 122.820 -0.253 0.000 2.304 821 A HA 0.595 4.922 4.320 0.013 0.000 0.323 821 A C -0.375 177.142 177.584 -0.113 0.000 1.195 821 A CA -0.570 51.403 52.037 -0.106 0.000 0.826 821 A CB 0.545 19.499 19.000 -0.078 0.000 1.184 821 A HN 1.194 nan 8.150 nan 0.000 0.496 822 L N 2.882 124.027 121.223 -0.129 0.000 2.331 822 L HA 0.385 4.733 4.340 0.013 0.000 0.278 822 L C 0.403 177.142 176.870 -0.218 0.000 1.106 822 L CA 0.264 54.922 54.840 -0.304 0.000 0.824 822 L CB 0.493 42.391 42.059 -0.268 0.000 1.142 822 L HN 0.768 nan 8.230 nan 0.000 0.443 823 L N 3.123 124.201 121.223 -0.242 0.000 2.537 823 L HA 0.355 4.703 4.340 0.013 0.000 0.224 823 L C 0.351 177.154 176.870 -0.112 0.000 1.065 823 L CA 0.013 54.778 54.840 -0.125 0.000 0.860 823 L CB 0.111 42.129 42.059 -0.068 0.000 1.086 823 L HN 0.709 nan 8.230 nan 0.000 0.482 824 Q N -0.277 119.428 119.800 -0.157 0.000 2.438 824 Q HA 0.352 4.700 4.340 0.013 0.000 0.272 824 Q C -2.080 173.865 176.000 -0.092 0.000 0.994 824 Q CA -0.521 55.229 55.803 -0.089 0.000 0.887 824 Q CB 3.039 31.750 28.738 -0.045 0.000 1.432 824 Q HN 0.067 nan 8.270 nan 0.000 0.392 825 C N 3.193 122.484 119.300 -0.015 0.000 2.727 825 C HA 0.792 5.259 4.460 0.013 0.000 0.369 825 C C -0.875 174.227 174.990 0.187 0.000 1.067 825 C CA 0.416 59.473 59.018 0.064 0.000 1.273 825 C CB 0.567 28.335 27.740 0.047 0.000 1.778 825 C HN 0.845 nan 8.230 nan 0.000 0.467 826 T N 2.470 117.086 114.554 0.103 0.000 2.901 826 T HA 0.921 5.279 4.350 0.013 0.000 0.293 826 T C -0.531 173.958 174.700 -0.352 0.000 1.084 826 T CA -0.308 61.801 62.100 0.015 0.000 1.008 826 T CB 1.943 70.793 68.868 -0.030 0.000 1.170 826 T HN 1.753 nan 8.240 nan 0.000 0.509 827 A N 1.195 123.619 122.820 -0.660 0.000 2.393 827 A HA 0.761 5.088 4.320 0.013 0.000 0.306 827 A C -1.296 176.016 177.584 -0.453 0.000 1.050 827 A CA -0.739 50.791 52.037 -0.845 0.000 0.724 827 A CB 1.330 19.348 19.000 -1.637 0.000 1.248 827 A HN 0.874 nan 8.150 nan 0.000 0.424 828 D N 0.740 120.947 120.400 -0.321 0.000 2.645 828 D HA 0.485 5.133 4.640 0.013 0.000 0.228 828 D C -0.934 175.264 176.300 -0.171 0.000 1.148 828 D CA -0.064 53.817 54.000 -0.199 0.000 0.860 828 D CB 2.435 43.150 40.800 -0.140 0.000 1.548 828 D HN 0.410 nan 8.370 nan 0.000 0.460 829 T N 1.598 116.076 114.554 -0.127 0.000 2.799 829 T HA 0.487 4.845 4.350 0.013 0.000 0.286 829 T C 0.482 175.134 174.700 -0.079 0.000 0.973 829 T CA -0.386 61.653 62.100 -0.102 0.000 1.035 829 T CB 0.847 69.660 68.868 -0.092 0.000 0.932 829 T HN 0.104 nan 8.240 nan 0.000 0.469 830 L N 1.369 122.551 121.223 -0.069 0.000 2.341 830 L HA 0.606 4.953 4.340 0.013 0.000 0.267 830 L C 1.983 178.829 176.870 -0.040 0.000 1.022 830 L CA -1.210 53.598 54.840 -0.053 0.000 0.844 830 L CB 0.357 42.386 42.059 -0.051 0.000 1.436 830 L HN 0.700 nan 8.230 nan 0.000 0.483 831 A N 0.578 123.380 122.820 -0.031 0.000 1.873 831 A HA -0.192 4.136 4.320 0.013 0.000 0.218 831 A C 1.105 178.679 177.584 -0.018 0.000 1.193 831 A CA 2.269 54.292 52.037 -0.023 0.000 0.629 831 A CB -0.515 18.473 19.000 -0.019 0.000 0.826 831 A HN 0.897 nan 8.150 nan 0.000 0.447 832 D N -2.417 117.971 120.400 -0.019 0.000 2.599 832 D HA 0.563 5.210 4.640 0.013 0.000 0.249 832 D C -0.054 176.236 176.300 -0.016 0.000 1.313 832 D CA 0.673 54.667 54.000 -0.011 0.000 0.815 832 D CB -0.123 40.669 40.800 -0.014 0.000 1.077 832 D HN 0.537 nan 8.370 nan 0.000 0.492 833 A N -0.560 122.242 122.820 -0.031 0.000 2.586 833 A HA 0.608 4.936 4.320 0.013 0.000 0.290 833 A C -1.751 175.787 177.584 -0.076 0.000 1.086 833 A CA -0.693 51.311 52.037 -0.054 0.000 0.665 833 A CB 1.546 20.511 19.000 -0.059 0.000 1.279 833 A HN 0.001 nan 8.150 nan 0.000 0.423 834 V N 0.641 120.487 119.914 -0.115 0.000 2.555 834 V HA 0.635 4.763 4.120 0.013 0.000 0.302 834 V C -0.890 175.098 176.094 -0.177 0.000 1.038 834 V CA -0.455 61.758 62.300 -0.145 0.000 0.887 834 V CB 1.420 33.153 31.823 -0.150 0.000 0.991 834 V HN 0.875 nan 8.190 nan 0.000 0.434 835 L N 6.311 127.421 121.223 -0.188 0.000 2.333 835 L HA 0.654 5.001 4.340 0.013 0.000 0.280 835 L C -0.860 175.856 176.870 -0.258 0.000 1.004 835 L CA 0.036 54.772 54.840 -0.174 0.000 0.820 835 L CB 1.254 43.242 42.059 -0.118 0.000 1.247 835 L HN 0.411 nan 8.230 nan 0.000 0.416 836 I N 4.130 124.537 120.570 -0.271 0.000 2.404 836 I HA 0.437 4.615 4.170 0.013 0.000 0.293 836 I C -0.117 175.949 176.117 -0.084 0.000 0.992 836 I CA -0.258 60.824 61.300 -0.363 0.000 1.149 836 I CB 1.599 39.103 38.000 -0.826 0.000 1.315 836 I HN 0.573 nan 8.210 nan 0.000 0.446 837 T N 4.726 119.243 114.554 -0.063 0.000 2.807 837 T HA 0.664 5.022 4.350 0.013 0.000 0.279 837 T C 0.134 174.875 174.700 0.068 0.000 0.993 837 T CA -0.537 61.582 62.100 0.032 0.000 0.970 837 T CB 1.906 70.767 68.868 -0.011 0.000 0.950 837 T HN 0.778 nan 8.240 nan 0.000 0.441 838 T N -0.608 114.027 114.554 0.135 0.000 2.896 838 T HA 0.883 5.241 4.350 0.013 0.000 0.297 838 T C -1.159 173.590 174.700 0.081 0.000 1.108 838 T CA -1.066 61.089 62.100 0.092 0.000 1.004 838 T CB 2.015 71.004 68.868 0.202 0.000 1.159 838 T HN 0.801 nan 8.240 nan 0.000 0.499 839 A N 1.272 124.061 122.820 -0.050 0.000 2.455 839 A HA 0.790 5.117 4.320 0.013 0.000 0.300 839 A C -1.465 176.017 177.584 -0.170 0.000 1.040 839 A CA -0.779 51.270 52.037 0.021 0.000 0.697 839 A CB 0.986 20.005 19.000 0.031 0.000 1.265 839 A HN 1.015 nan 8.150 nan 0.000 0.407 840 H N -0.183 118.935 119.070 0.080 0.000 2.895 840 H HA 0.772 5.336 4.556 0.013 0.000 0.373 840 H C -0.098 175.236 175.328 0.010 0.000 1.174 840 H CA 0.273 56.284 56.048 -0.063 0.000 1.144 840 H CB 2.165 31.806 29.762 -0.203 0.000 1.793 840 H HN 1.013 nan 8.280 nan 0.000 0.551 841 A N 1.715 124.537 122.820 0.005 0.000 2.355 841 A HA 0.459 4.787 4.320 0.013 0.000 0.317 841 A C -1.375 176.184 177.584 -0.043 0.000 1.094 841 A CA -0.696 51.407 52.037 0.111 0.000 0.764 841 A CB 1.175 20.221 19.000 0.078 0.000 1.230 841 A HN 0.570 nan 8.150 nan 0.000 0.448 842 W N 1.858 123.261 121.300 0.173 0.000 2.376 842 W HA 0.446 5.114 4.660 0.013 0.000 0.312 842 W C -0.419 176.122 176.519 0.038 0.000 1.060 842 W CA -0.103 57.341 57.345 0.165 0.000 1.221 842 W CB 1.728 31.347 29.460 0.265 0.000 1.281 842 W HN 0.784 nan 8.180 nan 0.000 0.456 843 Q N 1.549 121.474 119.800 0.208 0.000 2.458 843 Q HA 0.441 4.789 4.340 0.013 0.000 0.282 843 Q C -0.912 175.221 176.000 0.223 0.000 1.106 843 Q CA -0.877 55.013 55.803 0.145 0.000 0.814 843 Q CB 3.603 32.387 28.738 0.077 0.000 1.425 843 Q HN 0.376 nan 8.270 nan 0.000 0.437 844 H N 1.407 120.510 119.070 0.056 0.000 3.096 844 H HA 0.085 4.648 4.556 0.013 0.000 0.335 844 H C -0.866 174.494 175.328 0.053 0.000 0.990 844 H CA -0.096 55.996 56.048 0.073 0.000 1.393 844 H CB 1.070 30.890 29.762 0.096 0.000 1.742 844 H HN 0.831 nan 8.280 nan 0.000 0.501 845 Q N 3.232 122.789 119.800 -0.405 0.000 2.434 845 Q HA -0.255 4.093 4.340 0.013 0.000 0.299 845 Q C 0.888 176.829 176.000 -0.099 0.000 1.286 845 Q CA 1.135 56.766 55.803 -0.286 0.000 0.872 845 Q CB -1.412 27.103 28.738 -0.373 0.000 1.193 845 Q HN 1.176 nan 8.270 nan 0.000 0.466 846 G N -0.461 108.311 108.800 -0.047 0.000 2.217 846 G HA2 -0.335 3.633 3.960 0.013 0.000 0.246 846 G HA3 -0.335 3.633 3.960 0.013 0.000 0.246 846 G C 0.025 174.931 174.900 0.010 0.000 0.990 846 G CA 0.403 45.496 45.100 -0.012 0.000 0.627 846 G HN 0.316 nan 8.290 nan 0.000 0.522 847 K N 1.710 122.126 120.400 0.026 0.000 2.185 847 K HA 0.657 4.985 4.320 0.013 0.000 0.269 847 K C -0.055 176.562 176.600 0.028 0.000 0.987 847 K CA -0.144 56.163 56.287 0.032 0.000 0.865 847 K CB 1.000 33.533 32.500 0.055 0.000 1.090 847 K HN -0.009 nan 8.250 nan 0.000 0.450 848 T N 6.294 120.855 114.554 0.011 0.000 2.723 848 T HA 0.211 4.568 4.350 0.013 0.000 0.297 848 T C 1.097 175.746 174.700 -0.085 0.000 0.925 848 T CA -0.328 61.773 62.100 0.003 0.000 1.030 848 T CB 0.230 69.116 68.868 0.030 0.000 0.905 848 T HN 0.543 nan 8.240 nan 0.000 0.502 849 L N 2.571 123.656 121.223 -0.231 0.000 2.084 849 L HA 0.293 4.640 4.340 0.013 0.000 0.202 849 L C -0.158 176.242 176.870 -0.784 0.000 1.074 849 L CA 0.935 55.364 54.840 -0.686 0.000 0.757 849 L CB 0.029 41.277 42.059 -1.352 0.000 0.918 849 L HN 0.481 nan 8.230 nan 0.000 0.444 850 F N -1.109 118.801 119.950 -0.068 0.000 2.601 850 F HA 0.557 5.091 4.527 0.013 0.000 0.309 850 F C -0.461 175.432 175.800 0.156 0.000 1.089 850 F CA -1.105 56.788 58.000 -0.178 0.000 0.940 850 F CB 1.446 39.918 39.000 -0.879 0.000 1.273 850 F HN -0.304 nan 8.300 nan 0.000 0.450 851 I N 1.439 122.220 120.570 0.351 0.000 2.436 851 I HA 0.443 4.621 4.170 0.013 0.000 0.289 851 I C -0.624 175.755 176.117 0.436 0.000 1.010 851 I CA -0.602 60.934 61.300 0.392 0.000 1.098 851 I CB 2.139 40.285 38.000 0.243 0.000 1.266 851 I HN 0.545 nan 8.210 nan 0.000 0.434 852 S N 6.786 122.842 115.700 0.593 0.000 2.530 852 S HA 0.561 5.039 4.470 0.013 0.000 0.322 852 S C -0.663 174.178 174.600 0.401 0.000 1.085 852 S CA -0.684 57.839 58.200 0.539 0.000 1.096 852 S CB 0.568 64.213 63.200 0.742 0.000 0.988 852 S HN 0.549 nan 8.310 nan 0.000 0.466 853 R N 3.571 124.229 120.500 0.263 0.000 2.437 853 R HA 0.581 4.929 4.340 0.013 0.000 0.310 853 R C -0.663 175.713 176.300 0.126 0.000 0.955 853 R CA -0.765 55.446 56.100 0.185 0.000 0.851 853 R CB 1.814 32.196 30.300 0.136 0.000 1.161 853 R HN 0.546 nan 8.270 nan 0.000 0.446 854 K N 0.706 121.174 120.400 0.114 0.000 2.466 854 K HA 0.482 4.810 4.320 0.013 0.000 0.260 854 K C -0.798 175.793 176.600 -0.014 0.000 1.011 854 K CA -0.899 55.384 56.287 -0.007 0.000 0.871 854 K CB 2.576 35.049 32.500 -0.045 0.000 1.404 854 K HN 0.642 nan 8.250 nan 0.000 0.450 855 T N -1.558 112.918 114.554 -0.129 0.000 2.900 855 T HA 0.576 4.934 4.350 0.013 0.000 0.295 855 T C -1.287 173.303 174.700 -0.182 0.000 1.044 855 T CA -0.765 61.303 62.100 -0.053 0.000 0.995 855 T CB 0.620 69.475 68.868 -0.022 0.000 1.072 855 T HN 0.385 nan 8.240 nan 0.000 0.473 856 Y N 0.491 120.768 120.300 -0.038 0.000 2.331 856 Y HA 0.630 5.187 4.550 0.013 0.000 0.334 856 Y C 0.429 176.265 175.900 -0.106 0.000 0.960 856 Y CA -1.099 56.991 58.100 -0.016 0.000 1.130 856 Y CB 1.885 40.367 38.460 0.036 0.000 1.164 856 Y HN 0.650 nan 8.280 nan 0.000 0.458 857 R N 4.500 125.031 120.500 0.052 0.000 2.337 857 R HA 0.631 4.978 4.340 0.013 0.000 0.319 857 R C -1.583 174.665 176.300 -0.087 0.000 0.954 857 R CA -0.378 55.700 56.100 -0.036 0.000 0.840 857 R CB 0.588 30.876 30.300 -0.020 0.000 1.164 857 R HN 0.783 nan 8.270 nan 0.000 0.472 858 I N 5.155 125.609 120.570 -0.193 0.000 2.330 858 I HA 0.190 4.368 4.170 0.013 0.000 0.289 858 I C -0.227 175.762 176.117 -0.213 0.000 1.001 858 I CA -0.769 60.329 61.300 -0.336 0.000 1.193 858 I CB 1.454 39.032 38.000 -0.703 0.000 1.345 858 I HN 0.692 nan 8.210 nan 0.000 0.461 859 D N 4.338 124.665 120.400 -0.122 0.000 2.549 859 D HA 0.246 4.893 4.640 0.013 0.000 0.270 859 D C 1.210 177.507 176.300 -0.004 0.000 1.181 859 D CA -0.718 53.255 54.000 -0.046 0.000 1.070 859 D CB 0.876 41.670 40.800 -0.011 0.000 1.154 859 D HN 0.468 nan 8.370 nan 0.000 0.602 860 G N -1.507 107.307 108.800 0.022 0.000 2.679 860 G HA2 -0.098 3.870 3.960 0.013 0.000 0.212 860 G HA3 -0.098 3.870 3.960 0.013 0.000 0.212 860 G C 1.050 176.006 174.900 0.093 0.000 1.137 860 G CA 0.790 45.925 45.100 0.059 0.000 0.787 860 G HN 0.512 nan 8.290 nan 0.000 0.534 861 S N -1.114 114.638 115.700 0.086 0.000 2.593 861 S HA 0.370 4.848 4.470 0.013 0.000 0.217 861 S C 1.802 176.486 174.600 0.141 0.000 0.966 861 S CA 0.868 59.137 58.200 0.114 0.000 0.914 861 S CB 0.105 63.364 63.200 0.099 0.000 0.776 861 S HN 1.345 nan 8.310 nan 0.000 0.523 862 G N 0.762 109.658 108.800 0.160 0.000 2.157 862 G HA2 -0.220 3.747 3.960 0.013 0.000 0.248 862 G HA3 -0.220 3.747 3.960 0.013 0.000 0.248 862 G C -0.192 174.878 174.900 0.283 0.000 0.979 862 G CA 0.017 45.289 45.100 0.287 0.000 0.650 862 G HN 0.599 nan 8.290 nan 0.000 0.529 863 Q N -0.483 119.413 119.800 0.160 0.000 2.227 863 Q HA 0.648 4.996 4.340 0.013 0.000 0.245 863 Q C 0.153 176.212 176.000 0.099 0.000 0.926 863 Q CA -0.320 55.584 55.803 0.168 0.000 0.895 863 Q CB 1.675 30.493 28.738 0.134 0.000 1.230 863 Q HN 0.460 nan 8.270 nan 0.000 0.450 864 M N 1.551 121.253 119.600 0.169 0.000 2.125 864 M HA 0.510 4.998 4.480 0.013 0.000 0.321 864 M C -1.536 174.880 176.300 0.193 0.000 0.983 864 M CA -0.490 54.873 55.300 0.106 0.000 0.934 864 M CB 1.246 33.933 32.600 0.145 0.000 1.542 864 M HN 0.696 nan 8.290 nan 0.000 0.424 865 A N 6.834 129.728 122.820 0.123 0.000 2.260 865 A HA 0.677 5.004 4.320 0.013 0.000 0.308 865 A C -0.787 176.843 177.584 0.076 0.000 1.254 865 A CA -0.591 51.515 52.037 0.115 0.000 0.874 865 A CB 0.120 19.165 19.000 0.076 0.000 1.153 865 A HN 0.925 nan 8.150 nan 0.000 0.527 866 I N 2.555 123.158 120.570 0.055 0.000 2.362 866 I HA 0.290 4.467 4.170 0.013 0.000 0.289 866 I C -0.128 175.893 176.117 -0.159 0.000 0.994 866 I CA -0.158 61.073 61.300 -0.115 0.000 1.158 866 I CB 2.038 39.997 38.000 -0.067 0.000 1.315 866 I HN 0.498 nan 8.210 nan 0.000 0.451 867 T N 5.924 120.347 114.554 -0.217 0.000 2.771 867 T HA 0.523 4.881 4.350 0.013 0.000 0.281 867 T C -0.253 174.259 174.700 -0.313 0.000 0.982 867 T CA -0.438 61.535 62.100 -0.211 0.000 0.978 867 T CB 1.702 70.536 68.868 -0.057 0.000 0.930 867 T HN 0.190 nan 8.240 nan 0.000 0.447 868 V N 3.826 123.425 119.914 -0.525 0.000 2.540 868 V HA 0.489 4.616 4.120 0.013 0.000 0.302 868 V C -0.663 175.254 176.094 -0.295 0.000 1.035 868 V CA -0.889 61.118 62.300 -0.487 0.000 0.873 868 V CB 2.036 33.279 31.823 -0.966 0.000 0.992 868 V HN 0.845 nan 8.190 nan 0.000 0.428 869 D N 3.289 123.682 120.400 -0.011 0.000 2.549 869 D HA 0.513 5.161 4.640 0.013 0.000 0.251 869 D C -1.061 175.356 176.300 0.194 0.000 1.153 869 D CA -0.089 54.000 54.000 0.148 0.000 0.861 869 D CB 2.708 43.619 40.800 0.186 0.000 1.207 869 D HN 0.253 nan 8.370 nan 0.000 0.543 870 V N 2.366 122.434 119.914 0.255 0.000 2.628 870 V HA 0.313 4.440 4.120 0.013 0.000 0.306 870 V C 0.044 176.282 176.094 0.240 0.000 1.045 870 V CA -0.717 61.752 62.300 0.281 0.000 0.905 870 V CB 2.426 34.461 31.823 0.352 0.000 0.997 870 V HN 0.356 nan 8.190 nan 0.000 0.436 871 E N 2.559 122.886 120.200 0.211 0.000 2.171 871 E HA 0.628 4.986 4.350 0.013 0.000 0.271 871 E C -1.507 175.206 176.600 0.187 0.000 0.916 871 E CA -0.620 55.883 56.400 0.171 0.000 0.774 871 E CB 2.574 32.355 29.700 0.136 0.000 1.128 871 E HN 0.395 nan 8.360 nan 0.000 0.403 872 V N 2.176 122.205 119.914 0.191 0.000 2.444 872 V HA 0.364 4.491 4.120 0.013 0.000 0.294 872 V C 0.098 176.284 176.094 0.154 0.000 1.022 872 V CA -0.932 61.505 62.300 0.228 0.000 0.850 872 V CB 1.458 33.455 31.823 0.291 0.000 0.992 872 V HN 0.846 nan 8.190 nan 0.000 0.426 873 A N 3.598 126.466 122.820 0.079 0.000 2.567 873 A HA 0.247 4.575 4.320 0.013 0.000 0.240 873 A C 1.611 179.264 177.584 0.115 0.000 1.053 873 A CA 0.650 52.724 52.037 0.062 0.000 0.755 873 A CB 0.219 19.221 19.000 0.002 0.000 0.978 873 A HN 1.355 nan 8.150 nan 0.000 0.507 874 S N 1.236 117.001 115.700 0.109 0.000 2.447 874 S HA -0.146 4.331 4.470 0.013 0.000 0.233 874 S C 0.914 175.596 174.600 0.138 0.000 1.006 874 S CA 1.234 59.521 58.200 0.145 0.000 0.957 874 S CB -0.255 63.009 63.200 0.106 0.000 0.773 874 S HN 0.830 nan 8.310 nan 0.000 0.507 875 D N 0.367 120.821 120.400 0.090 0.000 2.339 875 D HA 0.116 4.764 4.640 0.013 0.000 0.217 875 D C 0.549 176.885 176.300 0.060 0.000 1.050 875 D CA 0.071 54.108 54.000 0.061 0.000 0.856 875 D CB -0.413 40.411 40.800 0.039 0.000 0.922 875 D HN 0.312 nan 8.370 nan 0.000 0.518 876 T N 1.197 115.813 114.554 0.102 0.000 2.928 876 T HA 0.406 4.764 4.350 0.013 0.000 0.284 876 T C -2.604 172.206 174.700 0.182 0.000 1.008 876 T CA -1.938 60.249 62.100 0.145 0.000 1.057 876 T CB 1.201 70.177 68.868 0.180 0.000 1.018 876 T HN -0.173 nan 8.240 nan 0.000 0.493 877 P HA 0.109 nan 4.420 nan 0.000 0.266 877 P C -0.623 176.986 177.300 0.515 0.000 1.195 877 P CA 0.097 63.308 63.100 0.185 0.000 0.768 877 P CB -0.035 31.777 31.700 0.186 0.000 0.838 878 H N 3.522 122.973 119.070 0.635 0.000 3.034 878 H HA 0.083 4.647 4.556 0.013 0.000 0.324 878 H C -1.597 174.065 175.328 0.556 0.000 1.015 878 H CA -1.243 55.104 56.048 0.499 0.000 1.429 878 H CB -0.345 29.646 29.762 0.381 0.000 1.429 878 H HN 0.384 nan 8.280 nan 0.000 0.585 879 P HA 0.045 nan 4.420 nan 0.000 0.279 879 P C 0.096 177.276 177.300 -0.200 0.000 1.252 879 P CA -0.366 62.783 63.100 0.082 0.000 0.811 879 P CB 1.271 32.880 31.700 -0.152 0.000 1.035 880 A N 3.050 125.469 122.820 -0.669 0.000 1.972 880 A HA -0.115 4.212 4.320 0.013 0.000 0.219 880 A C 1.051 178.234 177.584 -0.667 0.000 1.169 880 A CA 1.408 53.023 52.037 -0.703 0.000 0.635 880 A CB -0.561 17.784 19.000 -1.091 0.000 0.810 880 A HN 0.752 nan 8.150 nan 0.000 0.446 881 R N -2.890 117.254 120.500 -0.594 0.000 2.716 881 R HA 0.741 5.088 4.340 0.013 0.000 0.271 881 R C -1.634 174.416 176.300 -0.417 0.000 1.028 881 R CA -0.788 54.981 56.100 -0.551 0.000 0.883 881 R CB 0.893 30.836 30.300 -0.595 0.000 1.250 881 R HN -0.003 nan 8.270 nan 0.000 0.465 882 I N 1.206 121.568 120.570 -0.345 0.000 2.493 882 I HA 0.651 4.828 4.170 0.013 0.000 0.279 882 I C -0.429 175.460 176.117 -0.381 0.000 1.045 882 I CA -0.337 60.794 61.300 -0.282 0.000 1.106 882 I CB 1.849 39.761 38.000 -0.147 0.000 1.216 882 I HN 0.962 nan 8.210 nan 0.000 0.459 883 G N 5.850 114.364 108.800 -0.478 0.000 2.634 883 G HA2 0.734 4.702 3.960 0.013 0.000 0.309 883 G HA3 0.734 4.702 3.960 0.013 0.000 0.309 883 G C -1.720 173.007 174.900 -0.287 0.000 1.299 883 G CA -0.585 44.268 45.100 -0.411 0.000 0.798 883 G HN 0.263 nan 8.290 nan 0.000 0.490 884 L N 0.822 121.928 121.223 -0.195 0.000 2.333 884 L HA 0.659 5.006 4.340 0.013 0.000 0.263 884 L C -0.705 176.065 176.870 -0.166 0.000 1.014 884 L CA -1.144 53.616 54.840 -0.133 0.000 0.820 884 L CB 2.458 44.520 42.059 0.005 0.000 1.352 884 L HN 0.792 nan 8.230 nan 0.000 0.421 885 N N 0.720 119.350 118.700 -0.116 0.000 2.494 885 N HA 0.669 5.417 4.740 0.013 0.000 0.270 885 N C -1.334 174.189 175.510 0.022 0.000 1.285 885 N CA -0.504 52.514 53.050 -0.055 0.000 0.812 885 N CB 2.433 40.893 38.487 -0.044 0.000 1.557 885 N HN 0.837 nan 8.380 nan 0.000 0.487 886 C N -0.878 118.457 119.300 0.058 0.000 3.312 886 C HA 0.571 5.039 4.460 0.013 0.000 0.332 886 C C -1.075 173.762 174.990 -0.255 0.000 1.340 886 C CA -0.827 58.177 59.018 -0.024 0.000 1.265 886 C CB 1.064 28.814 27.740 0.017 0.000 1.563 886 C HN 0.834 nan 8.230 nan 0.000 0.471 887 Q N 1.409 120.818 119.800 -0.650 0.000 2.368 887 Q HA 0.643 4.990 4.340 0.013 0.000 0.256 887 Q C -1.002 174.712 176.000 -0.477 0.000 0.980 887 Q CA -0.397 54.779 55.803 -1.044 0.000 0.887 887 Q CB 0.864 28.600 28.738 -1.669 0.000 1.221 887 Q HN 0.768 nan 8.270 nan 0.000 0.458 888 L N 2.370 123.419 121.223 -0.291 0.000 2.417 888 L HA 0.270 4.618 4.340 0.013 0.000 0.268 888 L C 1.184 177.991 176.870 -0.104 0.000 1.158 888 L CA -0.181 54.605 54.840 -0.089 0.000 0.819 888 L CB 0.840 42.950 42.059 0.084 0.000 1.112 888 L HN 0.805 nan 8.230 nan 0.000 0.458 889 A N 1.719 124.506 122.820 -0.056 0.000 2.014 889 A HA -0.095 4.232 4.320 0.013 0.000 0.218 889 A C 1.083 178.653 177.584 -0.023 0.000 1.163 889 A CA 0.552 52.548 52.037 -0.069 0.000 0.652 889 A CB -0.258 18.691 19.000 -0.085 0.000 0.808 889 A HN 0.770 nan 8.150 nan 0.000 0.449 890 Q N 0.041 119.863 119.800 0.037 0.000 2.327 890 Q HA 0.438 4.785 4.340 0.013 0.000 0.254 890 Q C -1.151 174.890 176.000 0.067 0.000 0.952 890 Q CA 0.183 56.004 55.803 0.030 0.000 0.884 890 Q CB 0.976 29.763 28.738 0.081 0.000 1.224 890 Q HN 0.119 nan 8.270 nan 0.000 0.422 891 V N 3.591 123.508 119.914 0.005 0.000 2.407 891 V HA 0.817 4.945 4.120 0.013 0.000 0.291 891 V C -0.550 175.507 176.094 -0.061 0.000 1.018 891 V CA -0.316 62.016 62.300 0.053 0.000 0.842 891 V CB 1.000 32.840 31.823 0.028 0.000 0.996 891 V HN 0.912 nan 8.190 nan 0.000 0.426 892 A N 3.255 125.986 122.820 -0.148 0.000 2.384 892 A HA 0.722 5.050 4.320 0.013 0.000 0.312 892 A C 0.670 178.247 177.584 -0.013 0.000 1.113 892 A CA -0.519 51.359 52.037 -0.264 0.000 0.779 892 A CB 1.257 19.819 19.000 -0.731 0.000 1.307 892 A HN 0.799 nan 8.150 nan 0.000 0.436 893 E N 0.167 120.359 120.200 -0.014 0.000 2.107 893 E HA -0.056 4.301 4.350 0.013 0.000 0.191 893 E C 0.136 176.805 176.600 0.115 0.000 0.982 893 E CA 0.764 57.194 56.400 0.050 0.000 0.809 893 E CB 0.089 29.801 29.700 0.020 0.000 0.756 893 E HN 0.445 nan 8.360 nan 0.000 0.459 894 R N 0.228 120.805 120.500 0.129 0.000 2.888 894 R HA 0.559 4.906 4.340 0.013 0.000 0.266 894 R C -0.767 175.717 176.300 0.307 0.000 1.020 894 R CA -0.855 55.357 56.100 0.187 0.000 0.963 894 R CB 1.841 32.222 30.300 0.134 0.000 1.197 894 R HN -0.169 nan 8.270 nan 0.000 0.481 895 V N 1.744 121.853 119.914 0.324 0.000 2.577 895 V HA 0.363 4.490 4.120 0.013 0.000 0.303 895 V C -0.432 175.933 176.094 0.452 0.000 1.042 895 V CA -0.921 61.605 62.300 0.377 0.000 0.872 895 V CB 1.937 33.920 31.823 0.266 0.000 0.998 895 V HN 0.661 nan 8.190 nan 0.000 0.423 896 N N 4.606 123.546 118.700 0.401 0.000 2.354 896 N HA 0.524 5.272 4.740 0.013 0.000 0.287 896 N C -1.377 174.384 175.510 0.418 0.000 1.016 896 N CA -0.439 52.822 53.050 0.353 0.000 0.871 896 N CB 2.539 41.128 38.487 0.169 0.000 1.299 896 N HN 0.811 nan 8.380 nan 0.000 0.482 897 W N 3.203 124.532 121.300 0.048 0.000 3.107 897 W HA 0.593 5.260 4.660 0.012 0.000 0.331 897 W C -1.926 174.551 176.519 -0.071 0.000 1.204 897 W CA -1.161 56.184 57.345 -0.001 0.000 1.184 897 W CB 0.772 30.252 29.460 0.034 0.000 1.421 897 W HN 0.217 nan 8.180 nan 0.000 0.544 898 L N 4.145 125.344 121.223 -0.040 0.000 2.277 898 L HA 0.908 5.256 4.340 0.013 0.000 0.284 898 L C 0.032 176.681 176.870 -0.369 0.000 1.028 898 L CA 0.340 54.957 54.840 -0.372 0.000 0.835 898 L CB 0.544 42.479 42.059 -0.205 0.000 1.215 898 L HN 0.979 nan 8.230 nan 0.000 0.425 899 G N 3.751 112.168 108.800 -0.637 0.000 2.323 899 G HA2 0.196 4.164 3.960 0.013 0.000 0.291 899 G HA3 0.196 4.164 3.960 0.013 0.000 0.291 899 G C -1.642 173.247 174.900 -0.018 0.000 1.278 899 G CA -1.082 43.884 45.100 -0.223 0.000 0.860 899 G HN 0.452 nan 8.290 nan 0.000 0.504 900 L N 0.964 122.328 121.223 0.235 0.000 2.416 900 L HA 0.590 4.937 4.340 0.013 0.000 0.272 900 L C 1.124 178.101 176.870 0.178 0.000 1.161 900 L CA 0.860 55.818 54.840 0.195 0.000 0.845 900 L CB 0.576 42.704 42.059 0.114 0.000 1.119 900 L HN 1.199 nan 8.230 nan 0.000 0.464 901 G N 2.802 111.491 108.800 -0.185 0.000 2.348 901 G HA2 0.251 4.219 3.960 0.013 0.000 0.296 901 G HA3 0.251 4.219 3.960 0.013 0.000 0.296 901 G C -2.747 171.338 174.900 -1.359 0.000 1.258 901 G CA -0.269 44.393 45.100 -0.730 0.000 0.868 901 G HN 0.312 nan 8.290 nan 0.000 0.488 902 P HA 0.091 nan 4.420 nan 0.000 0.235 902 P C 0.428 177.546 177.300 -0.303 0.000 1.177 902 P CA 0.583 63.031 63.100 -1.087 0.000 0.785 902 P CB 0.460 31.670 31.700 -0.817 0.000 0.885 903 Q N 0.546 120.158 119.800 -0.314 0.000 2.317 903 Q HA 0.152 4.499 4.340 0.013 0.000 0.229 903 Q C 0.388 176.285 176.000 -0.172 0.000 0.984 903 Q CA -0.637 55.058 55.803 -0.180 0.000 0.911 903 Q CB 0.699 29.347 28.738 -0.150 0.000 1.217 903 Q HN 0.130 nan 8.270 nan 0.000 0.501 904 E N 1.353 121.456 120.200 -0.162 0.000 2.568 904 E HA -0.140 4.218 4.350 0.013 0.000 0.262 904 E C -1.126 175.391 176.600 -0.139 0.000 0.961 904 E CA 0.375 56.666 56.400 -0.182 0.000 0.945 904 E CB 0.222 29.880 29.700 -0.069 0.000 0.924 904 E HN 0.607 nan 8.360 nan 0.000 0.467 905 N N 2.699 121.235 118.700 -0.272 0.000 2.367 905 N HA 0.335 5.083 4.740 0.013 0.000 0.278 905 N C -1.858 173.421 175.510 -0.384 0.000 1.117 905 N CA -0.684 52.260 53.050 -0.177 0.000 0.867 905 N CB 0.752 39.161 38.487 -0.130 0.000 1.649 905 N HN 0.243 nan 8.380 nan 0.000 0.479 906 Y N 0.013 120.218 120.300 -0.159 0.000 2.633 906 Y HA 0.502 5.059 4.550 0.013 0.000 0.339 906 Y C -1.678 174.137 175.900 -0.141 0.000 1.045 906 Y CA -2.071 55.919 58.100 -0.184 0.000 1.098 906 Y CB 2.083 40.429 38.460 -0.189 0.000 1.296 906 Y HN 0.446 nan 8.280 nan 0.000 0.494 907 P HA -0.168 nan 4.420 nan 0.000 0.216 907 P C 0.368 177.503 177.300 -0.276 0.000 1.150 907 P CA 2.083 65.199 63.100 0.027 0.000 0.843 907 P CB 0.211 32.041 31.700 0.217 0.000 0.787 908 D N -2.373 117.661 120.400 -0.610 0.000 2.340 908 D HA 0.004 4.652 4.640 0.013 0.000 0.217 908 D C 0.737 176.874 176.300 -0.272 0.000 1.081 908 D CA 0.117 53.563 54.000 -0.923 0.000 0.842 908 D CB -0.239 39.805 40.800 -1.261 0.000 0.934 908 D HN 0.110 nan 8.370 nan 0.000 0.511 909 R N 1.002 121.445 120.500 -0.096 0.000 2.627 909 R HA 0.194 4.541 4.340 0.013 0.000 0.251 909 R C -0.622 175.704 176.300 0.044 0.000 1.524 909 R CA -0.154 55.957 56.100 0.019 0.000 1.606 909 R CB 0.066 30.383 30.300 0.028 0.000 1.396 909 R HN 0.100 nan 8.270 nan 0.000 0.724 910 L N -1.807 119.449 121.223 0.055 0.000 3.298 910 L HA 0.349 4.696 4.340 0.013 0.000 0.296 910 L C 1.331 178.257 176.870 0.093 0.000 1.237 910 L CA 0.049 54.922 54.840 0.055 0.000 1.038 910 L CB 0.238 42.319 42.059 0.037 0.000 1.423 910 L HN 0.077 nan 8.230 nan 0.000 0.605 911 T N -2.731 111.907 114.554 0.139 0.000 2.867 911 T HA 0.015 4.373 4.350 0.013 0.000 0.268 911 T C 1.778 176.526 174.700 0.080 0.000 1.057 911 T CA 1.264 63.470 62.100 0.177 0.000 1.136 911 T CB -0.293 68.737 68.868 0.270 0.000 0.874 911 T HN 0.384 nan 8.240 nan 0.000 0.466 912 A N 1.586 124.454 122.820 0.081 0.000 2.067 912 A HA 0.649 4.976 4.320 0.013 0.000 0.217 912 A C 1.635 179.297 177.584 0.130 0.000 1.156 912 A CA 0.513 52.556 52.037 0.011 0.000 0.683 912 A CB -0.922 18.223 19.000 0.242 0.000 0.808 912 A HN 0.829 nan 8.150 nan 0.000 0.455 913 A N -1.164 121.681 122.820 0.042 0.000 2.386 913 A HA 0.454 4.781 4.320 0.013 0.000 0.248 913 A C 0.018 177.615 177.584 0.023 0.000 1.082 913 A CA -0.021 51.999 52.037 -0.028 0.000 0.789 913 A CB -0.083 18.892 19.000 -0.043 0.000 1.025 913 A HN 0.488 nan 8.150 nan 0.000 0.490 914 C N 0.239 119.546 119.300 0.011 0.000 2.561 914 C HA 0.562 5.030 4.460 0.013 0.000 0.319 914 C C -0.218 174.861 174.990 0.148 0.000 1.198 914 C CA -0.511 58.563 59.018 0.092 0.000 1.665 914 C CB 0.958 28.777 27.740 0.131 0.000 2.258 914 C HN 0.792 nan 8.230 nan 0.000 0.493 915 F N 3.502 123.255 119.950 -0.328 0.000 2.445 915 F HA 0.506 5.041 4.527 0.013 0.000 0.359 915 F C 0.327 175.778 175.800 -0.582 0.000 1.101 915 F CA 1.133 58.813 58.000 -0.533 0.000 1.177 915 F CB 0.053 38.227 39.000 -1.377 0.000 1.110 915 F HN 0.623 nan 8.300 nan 0.000 0.522 916 D N 3.283 123.081 120.400 -1.004 0.000 2.865 916 D HA 0.178 4.826 4.640 0.013 0.000 0.343 916 D C -1.646 173.776 176.300 -1.463 0.000 1.372 916 D CA -0.728 52.567 54.000 -1.175 0.000 0.862 916 D CB 1.496 41.462 40.800 -1.389 0.000 1.425 916 D HN 0.494 nan 8.370 nan 0.000 0.501 917 R N 0.701 120.455 120.500 -1.244 0.000 2.202 917 R HA 0.505 4.853 4.340 0.013 0.000 0.334 917 R C -1.313 174.266 176.300 -1.202 0.000 1.036 917 R CA -0.176 55.338 56.100 -0.976 0.000 0.878 917 R CB 0.206 30.175 30.300 -0.551 0.000 1.067 917 R HN 0.273 nan 8.270 nan 0.000 0.457 918 W N 2.570 123.365 121.300 -0.842 0.000 2.647 918 W HA 0.435 5.103 4.660 0.013 0.000 0.353 918 W C -0.461 175.708 176.519 -0.583 0.000 1.080 918 W CA -0.654 56.147 57.345 -0.906 0.000 1.208 918 W CB 1.655 30.082 29.460 -1.722 0.000 1.396 918 W HN 0.384 nan 8.180 nan 0.000 0.573 919 D N 2.387 122.761 120.400 -0.043 0.000 2.613 919 D HA 0.387 5.035 4.640 0.013 0.000 0.230 919 D C -1.587 174.814 176.300 0.169 0.000 1.365 919 D CA -0.131 53.933 54.000 0.107 0.000 0.976 919 D CB 0.984 41.802 40.800 0.029 0.000 1.415 919 D HN 0.365 nan 8.370 nan 0.000 0.589 920 L N 3.018 124.414 121.223 0.288 0.000 2.327 920 L HA 0.573 4.921 4.340 0.013 0.000 0.258 920 L C -2.275 174.714 176.870 0.198 0.000 1.024 920 L CA -2.161 52.819 54.840 0.233 0.000 0.825 920 L CB 2.719 44.966 42.059 0.314 0.000 1.386 920 L HN 0.182 nan 8.230 nan 0.000 0.417 921 P HA 0.019 nan 4.420 nan 0.000 0.271 921 P C 0.567 177.946 177.300 0.132 0.000 1.218 921 P CA -0.339 62.833 63.100 0.119 0.000 0.780 921 P CB 0.929 32.678 31.700 0.083 0.000 0.901 922 L N 3.685 124.992 121.223 0.141 0.000 2.051 922 L HA -0.269 4.079 4.340 0.013 0.000 0.214 922 L C 2.244 179.168 176.870 0.089 0.000 1.076 922 L CA 2.823 57.739 54.840 0.127 0.000 0.758 922 L CB -1.525 40.626 42.059 0.154 0.000 0.890 922 L HN 0.467 nan 8.230 nan 0.000 0.433 923 S N -2.019 113.735 115.700 0.090 0.000 2.442 923 S HA -0.149 4.328 4.470 0.013 0.000 0.236 923 S C 1.552 176.225 174.600 0.121 0.000 1.007 923 S CA 1.020 59.289 58.200 0.115 0.000 0.965 923 S CB -0.729 62.532 63.200 0.102 0.000 0.773 923 S HN 0.525 nan 8.310 nan 0.000 0.504 924 D N 1.103 121.552 120.400 0.081 0.000 2.371 924 D HA 0.112 4.760 4.640 0.013 0.000 0.221 924 D C 1.174 177.483 176.300 0.016 0.000 0.986 924 D CA 0.563 54.590 54.000 0.044 0.000 0.899 924 D CB -0.111 40.721 40.800 0.053 0.000 0.902 924 D HN 0.379 nan 8.370 nan 0.000 0.530 925 M N -0.482 119.136 119.600 0.031 0.000 2.495 925 M HA 0.067 4.555 4.480 0.013 0.000 0.237 925 M C -0.074 176.232 176.300 0.011 0.000 1.131 925 M CA -0.033 55.239 55.300 -0.047 0.000 1.032 925 M CB -0.682 31.880 32.600 -0.064 0.000 1.513 925 M HN -0.052 nan 8.290 nan 0.000 0.488 926 Y N 0.060 120.329 120.300 -0.052 0.000 2.409 926 Y HA 0.516 5.073 4.550 0.013 0.000 0.343 926 Y C -0.762 175.110 175.900 -0.046 0.000 0.973 926 Y CA -1.107 56.986 58.100 -0.012 0.000 1.064 926 Y CB 1.289 39.802 38.460 0.089 0.000 1.207 926 Y HN -0.141 nan 8.280 nan 0.000 0.452 927 T N 8.931 123.106 114.554 -0.632 0.000 2.758 927 T HA 0.311 4.669 4.350 0.013 0.000 0.285 927 T C -2.704 171.317 174.700 -1.131 0.000 0.981 927 T CA -1.493 60.147 62.100 -0.767 0.000 0.965 927 T CB 1.186 69.673 68.868 -0.636 0.000 0.927 927 T HN 0.455 nan 8.240 nan 0.000 0.448 928 P HA 0.190 nan 4.420 nan 0.000 0.214 928 P C -0.717 176.573 177.300 -0.017 0.000 1.826 928 P CA -0.588 62.169 63.100 -0.572 0.000 0.977 928 P CB -0.558 30.926 31.700 -0.360 0.000 1.930 929 Y N -0.074 120.283 120.300 0.096 0.000 2.712 929 Y HA -0.109 4.448 4.550 0.013 0.000 0.333 929 Y C 2.272 178.294 175.900 0.204 0.000 1.225 929 Y CA 0.137 58.355 58.100 0.196 0.000 1.499 929 Y CB 0.103 38.561 38.460 -0.002 0.000 1.288 929 Y HN -0.063 nan 8.280 nan 0.000 0.575 930 V N 3.317 123.517 119.914 0.477 0.000 2.332 930 V HA -0.291 3.837 4.120 0.013 0.000 0.248 930 V C 0.666 176.945 176.094 0.309 0.000 1.055 930 V CA 1.444 63.976 62.300 0.387 0.000 1.038 930 V CB -0.615 31.464 31.823 0.425 0.000 0.651 930 V HN 0.613 nan 8.190 nan 0.000 0.450 931 F N 3.143 123.146 119.950 0.088 0.000 2.350 931 F HA 0.493 5.027 4.527 0.013 0.000 0.365 931 F C -2.454 173.347 175.800 0.002 0.000 1.122 931 F CA -3.428 54.555 58.000 -0.028 0.000 1.139 931 F CB 0.638 39.491 39.000 -0.246 0.000 1.220 931 F HN 0.009 nan 8.300 nan 0.000 0.499 932 P HA 0.212 nan 4.420 nan 0.000 0.268 932 P C -0.987 176.020 177.300 -0.489 0.000 1.205 932 P CA 0.142 63.017 63.100 -0.375 0.000 0.771 932 P CB 1.149 32.639 31.700 -0.351 0.000 0.858 933 S N 0.234 115.827 115.700 -0.178 0.000 2.727 933 S HA 0.476 4.954 4.470 0.013 0.000 0.278 933 S C -0.730 173.859 174.600 -0.018 0.000 1.186 933 S CA -0.954 57.176 58.200 -0.117 0.000 0.836 933 S CB 0.448 63.603 63.200 -0.073 0.000 1.186 933 S HN 0.330 nan 8.310 nan 0.000 0.499 934 E N 1.162 121.361 120.200 -0.002 0.000 2.568 934 E HA 0.324 4.682 4.350 0.013 0.000 0.262 934 E C -0.236 176.418 176.600 0.090 0.000 0.961 934 E CA 0.852 57.280 56.400 0.046 0.000 0.945 934 E CB -0.306 29.442 29.700 0.080 0.000 0.924 934 E HN 0.791 nan 8.360 nan 0.000 0.467 935 N N 1.557 120.351 118.700 0.158 0.000 2.961 935 N HA 0.496 5.243 4.740 0.013 0.000 0.245 935 N C 0.178 175.762 175.510 0.124 0.000 1.404 935 N CA -0.549 52.643 53.050 0.236 0.000 0.880 935 N CB 0.998 39.638 38.487 0.254 0.000 1.461 935 N HN 0.726 nan 8.380 nan 0.000 0.510 936 G N -1.270 107.562 108.800 0.053 0.000 2.179 936 G HA2 -0.255 3.713 3.960 0.013 0.000 0.260 936 G HA3 -0.255 3.713 3.960 0.013 0.000 0.260 936 G C -0.211 174.432 174.900 -0.427 0.000 0.977 936 G CA 0.286 45.290 45.100 -0.159 0.000 0.641 936 G HN 0.710 nan 8.290 nan 0.000 0.533 937 L N 0.332 121.227 121.223 -0.547 0.000 2.506 937 L HA 0.642 4.989 4.340 0.013 0.000 0.281 937 L C 0.698 176.984 176.870 -0.973 0.000 1.228 937 L CA 0.522 54.791 54.840 -0.952 0.000 0.850 937 L CB 0.500 41.664 42.059 -1.492 0.000 1.110 937 L HN 0.285 nan 8.230 nan 0.000 0.496 938 R N 2.291 122.129 120.500 -1.103 0.000 2.561 938 R HA 0.528 4.875 4.340 0.013 0.000 0.297 938 R C -1.008 174.939 176.300 -0.589 0.000 0.969 938 R CA -0.281 55.321 56.100 -0.830 0.000 0.879 938 R CB 1.521 31.217 30.300 -1.007 0.000 1.178 938 R HN 0.686 nan 8.270 nan 0.000 0.445 939 C N 0.194 119.305 119.300 -0.314 0.000 2.451 939 C HA 0.729 5.197 4.460 0.013 0.000 0.391 939 C C 1.215 176.187 174.990 -0.030 0.000 1.286 939 C CA 0.062 58.970 59.018 -0.183 0.000 1.935 939 C CB 1.419 29.078 27.740 -0.135 0.000 2.188 939 C HN 1.022 nan 8.230 nan 0.000 0.523 940 G N 1.745 110.541 108.800 -0.007 0.000 2.305 940 G HA2 -0.188 3.779 3.960 0.013 0.000 0.287 940 G HA3 -0.188 3.779 3.960 0.013 0.000 0.287 940 G C -0.037 174.930 174.900 0.111 0.000 1.036 940 G CA 0.629 45.783 45.100 0.089 0.000 0.887 940 G HN 0.787 nan 8.290 nan 0.000 0.505 941 T N -0.058 114.432 114.554 -0.106 0.000 2.806 941 T HA 0.520 4.878 4.350 0.013 0.000 0.290 941 T C 1.348 175.749 174.700 -0.498 0.000 0.966 941 T CA -0.563 61.411 62.100 -0.211 0.000 1.060 941 T CB 1.249 70.004 68.868 -0.189 0.000 0.927 941 T HN 0.228 nan 8.240 nan 0.000 0.485 942 R N 1.524 121.934 120.500 -0.149 0.000 2.307 942 R HA 0.304 4.652 4.340 0.013 0.000 0.200 942 R C 0.473 176.805 176.300 0.053 0.000 0.893 942 R CA 0.163 56.243 56.100 -0.034 0.000 1.042 942 R CB 0.481 30.900 30.300 0.199 0.000 1.059 942 R HN 0.679 nan 8.270 nan 0.000 0.530 943 E N 0.517 120.755 120.200 0.064 0.000 2.335 943 E HA 0.338 4.695 4.350 0.013 0.000 0.280 943 E C -1.890 174.851 176.600 0.235 0.000 0.918 943 E CA -0.667 55.859 56.400 0.210 0.000 0.765 943 E CB 1.584 31.370 29.700 0.143 0.000 1.218 943 E HN -0.095 nan 8.360 nan 0.000 0.425 944 L N 3.866 125.295 121.223 0.343 0.000 2.408 944 L HA 0.610 4.957 4.340 0.013 0.000 0.268 944 L C -1.818 175.246 176.870 0.324 0.000 0.986 944 L CA -0.400 54.570 54.840 0.216 0.000 0.820 944 L CB 1.821 43.856 42.059 -0.040 0.000 1.303 944 L HN 0.486 nan 8.230 nan 0.000 0.411 945 N N 4.316 123.176 118.700 0.267 0.000 2.296 945 N HA 0.401 5.148 4.740 0.013 0.000 0.294 945 N C -2.031 173.698 175.510 0.365 0.000 1.033 945 N CA -0.291 52.913 53.050 0.258 0.000 0.839 945 N CB 2.311 40.892 38.487 0.157 0.000 1.395 945 N HN 0.580 nan 8.380 nan 0.000 0.479 946 Y N 1.148 121.577 120.300 0.216 0.000 2.307 946 Y HA 0.399 4.957 4.550 0.013 0.000 0.323 946 Y C 0.633 176.633 175.900 0.167 0.000 1.100 946 Y CA 0.151 58.381 58.100 0.217 0.000 1.140 946 Y CB 0.609 39.264 38.460 0.325 0.000 1.159 946 Y HN 0.872 nan 8.280 nan 0.000 0.436 947 G N 6.495 115.121 108.800 -0.290 0.000 2.583 947 G HA2 -0.301 3.666 3.960 0.013 0.000 0.292 947 G HA3 -0.301 3.666 3.960 0.013 0.000 0.292 947 G C -1.722 173.064 174.900 -0.189 0.000 1.203 947 G CA 0.169 45.096 45.100 -0.288 0.000 0.987 947 G HN 0.560 nan 8.290 nan 0.000 0.554 948 P HA 0.171 nan 4.420 nan 0.000 0.251 948 P C 0.258 177.339 177.300 -0.366 0.000 1.223 948 P CA 0.705 63.604 63.100 -0.335 0.000 0.796 948 P CB 0.032 31.471 31.700 -0.436 0.000 1.068 949 H N 0.371 119.354 119.070 -0.145 0.000 2.481 949 H HA 0.452 5.015 4.556 0.013 0.000 0.339 949 H C -0.060 174.969 175.328 -0.498 0.000 1.131 949 H CA -0.035 55.780 56.048 -0.387 0.000 1.301 949 H CB 1.605 30.869 29.762 -0.831 0.000 1.476 949 H HN 0.077 nan 8.280 nan 0.000 0.529 950 Q N 2.314 121.846 119.800 -0.448 0.000 2.305 950 Q HA 0.245 4.593 4.340 0.013 0.000 0.271 950 Q C -1.632 174.118 176.000 -0.417 0.000 1.046 950 Q CA -0.726 54.922 55.803 -0.259 0.000 0.798 950 Q CB 2.124 30.840 28.738 -0.037 0.000 1.286 950 Q HN 0.588 nan 8.270 nan 0.000 0.435 951 W N 3.982 125.236 121.300 -0.077 0.000 2.656 951 W HA 0.560 5.228 4.660 0.013 0.000 0.327 951 W C -0.286 176.310 176.519 0.129 0.000 1.041 951 W CA -0.754 56.511 57.345 -0.134 0.000 1.229 951 W CB 1.952 31.123 29.460 -0.483 0.000 1.397 951 W HN 0.513 nan 8.180 nan 0.000 0.479 952 R N 0.949 121.687 120.500 0.396 0.000 2.740 952 R HA 0.799 5.146 4.340 0.013 0.000 0.282 952 R C 0.225 176.811 176.300 0.477 0.000 0.969 952 R CA -0.477 55.880 56.100 0.429 0.000 0.918 952 R CB 2.384 32.844 30.300 0.267 0.000 1.175 952 R HN 0.745 nan 8.270 nan 0.000 0.464 953 G N 0.680 109.776 108.800 0.494 0.000 2.566 953 G HA2 0.021 3.989 3.960 0.013 0.000 0.138 953 G HA3 0.021 3.989 3.960 0.013 0.000 0.138 953 G C -1.750 173.310 174.900 0.266 0.000 1.133 953 G CA -0.297 45.056 45.100 0.422 0.000 1.037 953 G HN 0.488 nan 8.290 nan 0.000 0.491 954 D N -0.017 120.542 120.400 0.265 0.000 2.411 954 D HA 0.569 5.217 4.640 0.013 0.000 0.239 954 D C -0.755 175.567 176.300 0.036 0.000 1.307 954 D CA -0.484 53.545 54.000 0.049 0.000 0.930 954 D CB 0.156 41.011 40.800 0.093 0.000 1.395 954 D HN 0.532 nan 8.370 nan 0.000 0.536 955 F N -0.277 119.670 119.950 -0.005 0.000 2.726 955 F HA 0.738 5.272 4.527 0.013 0.000 0.324 955 F C -1.074 174.682 175.800 -0.074 0.000 1.140 955 F CA -1.014 56.916 58.000 -0.117 0.000 0.964 955 F CB 0.769 39.701 39.000 -0.115 0.000 1.399 955 F HN -0.161 nan 8.300 nan 0.000 0.491 956 Q N 1.515 121.384 119.800 0.115 0.000 2.345 956 Q HA 0.635 4.982 4.340 0.013 0.000 0.268 956 Q C -1.319 174.739 176.000 0.096 0.000 1.054 956 Q CA -0.507 55.282 55.803 -0.023 0.000 0.835 956 Q CB 2.713 31.336 28.738 -0.191 0.000 1.339 956 Q HN 0.833 nan 8.270 nan 0.000 0.447 957 F N -1.112 118.721 119.950 -0.196 0.000 2.662 957 F HA 0.761 5.295 4.527 0.013 0.000 0.312 957 F C -1.357 174.227 175.800 -0.361 0.000 1.113 957 F CA -1.151 56.693 58.000 -0.259 0.000 0.951 957 F CB 1.437 40.299 39.000 -0.230 0.000 1.344 957 F HN 0.568 nan 8.300 nan 0.000 0.462 958 N N 1.194 119.712 118.700 -0.304 0.000 2.357 958 N HA 0.760 5.508 4.740 0.013 0.000 0.284 958 N C -2.061 173.384 175.510 -0.109 0.000 1.236 958 N CA -0.778 52.069 53.050 -0.339 0.000 0.774 958 N CB 2.679 40.982 38.487 -0.306 0.000 1.534 958 N HN 1.133 nan 8.380 nan 0.000 0.478 959 I N 0.171 120.670 120.570 -0.119 0.000 2.680 959 I HA 0.659 4.837 4.170 0.013 0.000 0.291 959 I C -1.540 174.496 176.117 -0.136 0.000 1.244 959 I CA 0.058 61.261 61.300 -0.162 0.000 1.042 959 I CB 1.349 39.191 38.000 -0.264 0.000 1.277 959 I HN 1.077 nan 8.210 nan 0.000 0.423 960 S N 6.160 121.794 115.700 -0.110 0.000 2.656 960 S HA 0.489 4.966 4.470 0.013 0.000 0.265 960 S C -0.323 174.181 174.600 -0.160 0.000 1.132 960 S CA -0.985 57.142 58.200 -0.121 0.000 0.819 960 S CB 1.609 64.788 63.200 -0.035 0.000 1.119 960 S HN 0.641 nan 8.310 nan 0.000 0.476 961 R N -0.093 120.146 120.500 -0.436 0.000 2.335 961 R HA 0.245 4.592 4.340 0.013 0.000 0.223 961 R C -0.968 175.015 176.300 -0.529 0.000 0.940 961 R CA 0.347 56.160 56.100 -0.478 0.000 1.086 961 R CB -1.036 28.879 30.300 -0.641 0.000 1.073 961 R HN 0.627 nan 8.270 nan 0.000 0.504 962 Y N -0.089 120.192 120.300 -0.030 0.000 2.361 962 Y HA 0.217 4.775 4.550 0.013 0.000 0.337 962 Y C 0.584 176.275 175.900 -0.348 0.000 0.965 962 Y CA -1.461 56.533 58.100 -0.177 0.000 1.091 962 Y CB 1.389 39.681 38.460 -0.280 0.000 1.182 962 Y HN -0.094 nan 8.280 nan 0.000 0.450 963 S N 1.878 117.263 115.700 -0.524 0.000 2.593 963 S HA 0.065 4.543 4.470 0.013 0.000 0.269 963 S C 0.948 175.208 174.600 -0.567 0.000 1.334 963 S CA -0.733 56.787 58.200 -1.135 0.000 1.015 963 S CB 1.115 63.497 63.200 -1.363 0.000 0.912 963 S HN 0.697 nan 8.310 nan 0.000 0.541 964 Q N 0.888 120.365 119.800 -0.537 0.000 2.152 964 Q HA -0.233 4.115 4.340 0.013 0.000 0.206 964 Q C 2.193 178.044 176.000 -0.248 0.000 0.985 964 Q CA 2.037 57.662 55.803 -0.297 0.000 0.863 964 Q CB -0.543 28.049 28.738 -0.244 0.000 0.904 964 Q HN 0.978 nan 8.270 nan 0.000 0.422 965 Q N 0.521 120.141 119.800 -0.301 0.000 2.084 965 Q HA -0.212 4.136 4.340 0.013 0.000 0.202 965 Q C 2.133 178.025 176.000 -0.180 0.000 0.978 965 Q CA 1.504 57.193 55.803 -0.191 0.000 0.844 965 Q CB 0.014 28.653 28.738 -0.165 0.000 0.898 965 Q HN 0.425 nan 8.270 nan 0.000 0.426 966 Q N 0.085 119.750 119.800 -0.225 0.000 2.084 966 Q HA -0.164 4.183 4.340 0.013 0.000 0.202 966 Q C 2.168 178.032 176.000 -0.227 0.000 0.978 966 Q CA 1.333 57.011 55.803 -0.210 0.000 0.844 966 Q CB -0.077 28.511 28.738 -0.250 0.000 0.898 966 Q HN 0.485 nan 8.270 nan 0.000 0.426 967 L N 0.581 121.667 121.223 -0.228 0.000 2.083 967 L HA -0.198 4.150 4.340 0.013 0.000 0.209 967 L C 2.681 179.416 176.870 -0.226 0.000 1.083 967 L CA 1.391 56.092 54.840 -0.232 0.000 0.752 967 L CB -0.455 41.502 42.059 -0.169 0.000 0.899 967 L HN 0.491 nan 8.230 nan 0.000 0.433 968 M N -1.785 117.714 119.600 -0.169 0.000 2.492 968 M HA -0.066 4.422 4.480 0.013 0.000 0.262 968 M C 1.351 177.576 176.300 -0.126 0.000 1.090 968 M CA 1.561 56.779 55.300 -0.137 0.000 1.110 968 M CB -0.234 32.303 32.600 -0.105 0.000 1.407 968 M HN 0.088 nan 8.290 nan 0.000 0.470 969 E N 0.879 121.001 120.200 -0.129 0.000 2.474 969 E HA 0.121 4.479 4.350 0.013 0.000 0.195 969 E C -0.396 176.147 176.600 -0.096 0.000 1.039 969 E CA 0.080 56.426 56.400 -0.090 0.000 0.881 969 E CB 0.617 30.273 29.700 -0.074 0.000 0.970 969 E HN 0.403 nan 8.360 nan 0.000 0.486 970 T N 0.109 114.566 114.554 -0.162 0.000 2.797 970 T HA 0.115 4.473 4.350 0.013 0.000 0.279 970 T C 0.903 175.484 174.700 -0.198 0.000 0.991 970 T CA -0.511 61.490 62.100 -0.164 0.000 0.979 970 T CB 1.688 70.419 68.868 -0.229 0.000 0.943 970 T HN 0.002 nan 8.240 nan 0.000 0.444 971 S N 1.573 117.256 115.700 -0.028 0.000 2.517 971 S HA 0.155 4.633 4.470 0.013 0.000 0.214 971 S C 0.175 174.813 174.600 0.064 0.000 0.991 971 S CA 0.039 58.292 58.200 0.088 0.000 0.906 971 S CB -0.168 63.235 63.200 0.339 0.000 0.789 971 S HN 0.734 nan 8.310 nan 0.000 0.513 972 H N 0.704 119.768 119.070 -0.009 0.000 2.771 972 H HA 0.477 5.041 4.556 0.013 0.000 0.361 972 H C 0.900 176.189 175.328 -0.064 0.000 1.108 972 H CA -0.831 55.263 56.048 0.077 0.000 1.201 972 H CB 1.516 31.293 29.762 0.025 0.000 1.681 972 H HN 0.107 nan 8.280 nan 0.000 0.534 973 R N 1.893 122.491 120.500 0.163 0.000 2.127 973 R HA -0.166 4.182 4.340 0.013 0.000 0.238 973 R C 1.063 177.375 176.300 0.019 0.000 1.134 973 R CA 1.865 58.002 56.100 0.063 0.000 0.975 973 R CB -0.400 29.989 30.300 0.148 0.000 0.865 973 R HN 0.760 nan 8.270 nan 0.000 0.447 974 H N 0.732 119.796 119.070 -0.010 0.000 2.559 974 H HA 0.071 4.635 4.556 0.013 0.000 0.273 974 H C 1.455 176.697 175.328 -0.143 0.000 1.000 974 H CA 0.550 56.553 56.048 -0.075 0.000 1.195 974 H CB -0.081 29.621 29.762 -0.099 0.000 1.368 974 H HN 0.300 nan 8.280 nan 0.000 0.592 975 L N 0.788 121.618 121.223 -0.656 0.000 2.592 975 L HA 0.211 4.558 4.340 0.013 0.000 0.227 975 L C 0.729 177.439 176.870 -0.266 0.000 1.127 975 L CA -0.112 54.421 54.840 -0.511 0.000 0.884 975 L CB 0.165 41.905 42.059 -0.532 0.000 1.065 975 L HN 0.070 nan 8.230 nan 0.000 0.457 976 L N 0.551 121.603 121.223 -0.285 0.000 2.452 976 L HA 0.152 4.500 4.340 0.013 0.000 0.267 976 L C 0.097 176.890 176.870 -0.129 0.000 1.188 976 L CA -0.095 54.531 54.840 -0.356 0.000 0.821 976 L CB 0.460 42.118 42.059 -0.669 0.000 1.102 976 L HN 0.203 nan 8.230 nan 0.000 0.470 977 H N 1.128 120.223 119.070 0.042 0.000 2.771 977 H HA 0.575 5.139 4.556 0.013 0.000 0.361 977 H C -0.855 174.593 175.328 0.201 0.000 1.108 977 H CA -1.241 54.870 56.048 0.106 0.000 1.201 977 H CB 1.277 31.056 29.762 0.027 0.000 1.681 977 H HN 0.677 nan 8.280 nan 0.000 0.534 978 A N 3.488 126.454 122.820 0.243 0.000 2.520 978 A HA 0.091 4.419 4.320 0.013 0.000 0.245 978 A C 0.384 178.050 177.584 0.136 0.000 1.072 978 A CA -0.161 51.880 52.037 0.006 0.000 0.761 978 A CB 0.019 18.966 19.000 -0.089 0.000 1.004 978 A HN 0.833 nan 8.150 nan 0.000 0.499 979 E N 0.695 120.955 120.200 0.100 0.000 2.322 979 E HA 0.244 4.601 4.350 0.013 0.000 0.257 979 E C 0.047 176.686 176.600 0.065 0.000 1.155 979 E CA -0.593 55.917 56.400 0.182 0.000 0.936 979 E CB 0.686 30.576 29.700 0.317 0.000 1.130 979 E HN 0.811 nan 8.360 nan 0.000 0.465 980 E N 0.164 120.390 120.200 0.044 0.000 2.383 980 E HA 0.251 4.608 4.350 0.013 0.000 0.264 980 E C 0.377 176.926 176.600 -0.085 0.000 1.050 980 E CA 0.453 56.840 56.400 -0.021 0.000 0.896 980 E CB 0.379 30.063 29.700 -0.028 0.000 0.982 980 E HN 0.650 nan 8.360 nan 0.000 0.424 981 G N 2.499 111.252 108.800 -0.077 0.000 2.645 981 G HA2 -0.231 3.737 3.960 0.013 0.000 0.246 981 G HA3 -0.231 3.737 3.960 0.013 0.000 0.246 981 G C -0.584 174.253 174.900 -0.106 0.000 1.322 981 G CA -0.102 44.938 45.100 -0.100 0.000 0.898 981 G HN 0.707 nan 8.290 nan 0.000 0.573 982 T N 0.134 114.609 114.554 -0.132 0.000 2.879 982 T HA 0.498 4.856 4.350 0.013 0.000 0.290 982 T C -0.792 173.785 174.700 -0.205 0.000 0.993 982 T CA -0.178 61.862 62.100 -0.101 0.000 0.975 982 T CB 1.382 70.269 68.868 0.032 0.000 0.981 982 T HN 0.563 nan 8.240 nan 0.000 0.439 983 W N 3.231 124.442 121.300 -0.148 0.000 2.322 983 W HA 0.599 5.267 4.660 0.013 0.000 0.307 983 W C -0.269 176.122 176.519 -0.213 0.000 1.220 983 W CA -0.666 56.589 57.345 -0.151 0.000 1.210 983 W CB 0.742 30.125 29.460 -0.128 0.000 1.223 983 W HN 0.375 nan 8.180 nan 0.000 0.511 984 L N 5.625 126.855 121.223 0.012 0.000 2.333 984 L HA 0.524 4.872 4.340 0.013 0.000 0.280 984 L C -0.974 175.804 176.870 -0.153 0.000 1.004 984 L CA -0.481 54.241 54.840 -0.196 0.000 0.820 984 L CB 0.895 42.691 42.059 -0.440 0.000 1.247 984 L HN 0.316 nan 8.230 nan 0.000 0.416 985 N N 6.944 125.538 118.700 -0.178 0.000 2.407 985 N HA 0.495 5.242 4.740 0.013 0.000 0.277 985 N C -1.256 174.109 175.510 -0.242 0.000 0.995 985 N CA -0.254 52.688 53.050 -0.181 0.000 0.903 985 N CB 2.352 40.756 38.487 -0.137 0.000 1.218 985 N HN 0.554 nan 8.380 nan 0.000 0.487 986 I N 1.799 122.182 120.570 -0.311 0.000 2.439 986 I HA 0.220 4.398 4.170 0.013 0.000 0.285 986 I C -0.783 175.141 176.117 -0.322 0.000 1.021 986 I CA -0.617 60.464 61.300 -0.364 0.000 1.091 986 I CB 1.813 39.420 38.000 -0.655 0.000 1.242 986 I HN 0.172 nan 8.210 nan 0.000 0.439 987 D N 4.540 124.787 120.400 -0.255 0.000 2.168 987 D HA 0.285 4.933 4.640 0.013 0.000 0.246 987 D C 1.000 176.991 176.300 -0.515 0.000 1.050 987 D CA -0.179 53.606 54.000 -0.358 0.000 0.857 987 D CB 2.492 43.184 40.800 -0.180 0.000 1.169 987 D HN 0.707 nan 8.370 nan 0.000 0.453 988 G N 1.202 109.399 108.800 -1.005 0.000 2.403 988 G HA2 -0.025 3.942 3.960 0.013 0.000 0.216 988 G HA3 -0.025 3.942 3.960 0.013 0.000 0.216 988 G C 0.087 174.208 174.900 -1.298 0.000 1.154 988 G CA 0.553 44.934 45.100 -1.197 0.000 0.784 988 G HN 0.381 nan 8.290 nan 0.000 0.538 989 F N -1.963 117.793 119.950 -0.323 0.000 2.591 989 F HA 0.592 5.126 4.527 0.013 0.000 0.309 989 F C -0.555 175.132 175.800 -0.188 0.000 1.098 989 F CA -1.145 56.736 58.000 -0.199 0.000 0.937 989 F CB 2.179 40.973 39.000 -0.343 0.000 1.250 989 F HN 0.049 nan 8.300 nan 0.000 0.447 990 H N 2.082 121.145 119.070 -0.012 0.000 2.865 990 H HA 0.548 5.111 4.556 0.013 0.000 0.362 990 H C -0.881 174.465 175.328 0.029 0.000 1.114 990 H CA -0.868 55.152 56.048 -0.048 0.000 1.208 990 H CB 1.859 31.578 29.762 -0.070 0.000 1.727 990 H HN 0.771 nan 8.280 nan 0.000 0.534 991 M N 3.377 122.910 119.600 -0.111 0.000 2.240 991 M HA 0.323 4.810 4.480 0.013 0.000 0.333 991 M C 0.472 176.881 176.300 0.182 0.000 1.110 991 M CA 0.193 55.509 55.300 0.026 0.000 1.173 991 M CB 0.438 32.957 32.600 -0.135 0.000 1.458 991 M HN 0.839 nan 8.290 nan 0.000 0.458 992 G N 2.508 111.395 108.800 0.146 0.000 2.699 992 G HA2 0.257 4.224 3.960 0.013 0.000 0.246 992 G HA3 0.257 4.224 3.960 0.013 0.000 0.246 992 G C 0.584 175.471 174.900 -0.022 0.000 1.219 992 G CA -0.347 44.778 45.100 0.042 0.000 0.866 992 G HN 0.966 nan 8.290 nan 0.000 0.572 993 I N -1.653 118.852 120.570 -0.109 0.000 3.854 993 I HA 0.430 4.608 4.170 0.013 0.000 0.312 993 I C 1.164 177.209 176.117 -0.120 0.000 1.273 993 I CA 0.400 61.594 61.300 -0.176 0.000 1.298 993 I CB -0.552 37.237 38.000 -0.352 0.000 1.071 993 I HN 0.958 nan 8.210 nan 0.000 0.428 994 G N 1.460 110.216 108.800 -0.074 0.000 2.698 994 G HA2 0.071 4.039 3.960 0.013 0.000 0.233 994 G HA3 0.071 4.039 3.960 0.013 0.000 0.233 994 G C 0.491 175.379 174.900 -0.020 0.000 1.352 994 G CA 0.001 45.092 45.100 -0.016 0.000 0.879 994 G HN 1.292 nan 8.290 nan 0.000 0.567 995 G N -2.330 106.472 108.800 0.003 0.000 2.613 995 G HA2 0.017 3.985 3.960 0.013 0.000 0.199 995 G HA3 0.017 3.985 3.960 0.013 0.000 0.199 995 G C 0.676 175.625 174.900 0.082 0.000 0.991 995 G CA 0.923 46.033 45.100 0.018 0.000 0.756 995 G HN 0.975 nan 8.290 nan 0.000 0.515 996 D N 1.301 121.771 120.400 0.117 0.000 2.172 996 D HA 0.077 4.725 4.640 0.013 0.000 0.196 996 D C 1.059 177.376 176.300 0.029 0.000 0.999 996 D CA 2.127 56.257 54.000 0.215 0.000 0.856 996 D CB 0.116 41.051 40.800 0.224 0.000 0.934 996 D HN 0.810 nan 8.370 nan 0.000 0.453 997 D N -3.420 116.785 120.400 -0.325 0.000 2.677 997 D HA 0.356 5.004 4.640 0.013 0.000 0.298 997 D C -0.815 174.941 176.300 -0.908 0.000 1.250 997 D CA -0.739 52.628 54.000 -1.056 0.000 0.888 997 D CB 0.903 40.538 40.800 -1.941 0.000 1.397 997 D HN -0.297 nan 8.370 nan 0.000 0.461 998 S N -0.730 114.219 115.700 -1.252 0.000 2.711 998 S HA 0.254 4.732 4.470 0.013 0.000 0.247 998 S C -0.684 173.907 174.600 -0.015 0.000 1.079 998 S CA -0.675 57.320 58.200 -0.342 0.000 1.050 998 S CB -0.477 62.776 63.200 0.088 0.000 0.885 998 S HN 0.622 nan 8.310 nan 0.000 0.498 999 W N 0.658 121.888 121.300 -0.116 0.000 2.079 999 W HA 0.489 5.156 4.660 0.012 0.000 0.285 999 W C -0.003 176.462 176.519 -0.092 0.000 0.891 999 W CA -0.451 56.833 57.345 -0.102 0.000 1.308 999 W CB -0.512 28.814 29.460 -0.223 0.000 1.047 999 W HN 0.175 nan 8.180 nan 0.000 0.522 1000 S N -0.776 114.799 115.700 -0.208 0.000 2.564 1000 S HA 0.655 5.132 4.470 0.013 0.000 0.274 1000 S C -3.033 171.497 174.600 -0.115 0.000 1.124 1000 S CA -1.749 56.391 58.200 -0.099 0.000 0.869 1000 S CB 1.925 65.103 63.200 -0.037 0.000 1.105 1000 S HN -0.254 nan 8.310 nan 0.000 0.472 1001 P HA 0.149 nan 4.420 nan 0.000 0.262 1001 P C 0.373 177.708 177.300 0.059 0.000 1.182 1001 P CA 0.068 63.170 63.100 0.003 0.000 0.761 1001 P CB 0.564 32.150 31.700 -0.190 0.000 0.795 1002 S N 0.406 116.182 115.700 0.127 0.000 2.787 1002 S HA 0.130 4.608 4.470 0.013 0.000 0.255 1002 S C 0.229 174.914 174.600 0.142 0.000 1.051 1002 S CA -0.309 57.940 58.200 0.082 0.000 1.124 1002 S CB -0.264 62.932 63.200 -0.006 0.000 1.104 1002 S HN 0.119 nan 8.310 nan 0.000 0.623 1003 V N 2.949 122.998 119.914 0.224 0.000 2.470 1003 V HA 0.338 4.466 4.120 0.013 0.000 0.276 1003 V C 0.825 177.076 176.094 0.261 0.000 1.040 1003 V CA -0.173 62.248 62.300 0.202 0.000 1.008 1003 V CB 0.967 32.862 31.823 0.121 0.000 0.990 1003 V HN 0.511 nan 8.190 nan 0.000 0.477 1004 S N 3.960 119.825 115.700 0.275 0.000 2.568 1004 S HA 0.300 4.777 4.470 0.013 0.000 0.282 1004 S C 1.530 176.269 174.600 0.232 0.000 1.338 1004 S CA 0.047 58.398 58.200 0.251 0.000 1.045 1004 S CB 1.141 64.522 63.200 0.301 0.000 0.873 1004 S HN 0.989 nan 8.310 nan 0.000 0.516 1005 A N 3.465 126.380 122.820 0.158 0.000 1.948 1005 A HA -0.161 4.167 4.320 0.013 0.000 0.220 1005 A C 2.002 179.617 177.584 0.051 0.000 1.177 1005 A CA 1.910 54.026 52.037 0.131 0.000 0.636 1005 A CB -0.664 18.393 19.000 0.095 0.000 0.815 1005 A HN 0.955 nan 8.150 nan 0.000 0.449 1006 E N -1.067 119.099 120.200 -0.056 0.000 2.472 1006 E HA -0.123 4.234 4.350 0.013 0.000 0.200 1006 E C 0.469 176.845 176.600 -0.373 0.000 1.046 1006 E CA 0.716 56.973 56.400 -0.238 0.000 0.871 1006 E CB -0.377 29.099 29.700 -0.375 0.000 0.806 1006 E HN 0.620 nan 8.360 nan 0.000 0.533 1007 F N 1.252 121.253 119.950 0.086 0.000 2.654 1007 F HA 0.312 4.846 4.527 0.012 0.000 0.303 1007 F C 0.682 176.520 175.800 0.064 0.000 1.099 1007 F CA -0.387 57.664 58.000 0.085 0.000 1.270 1007 F CB 0.431 39.481 39.000 0.084 0.000 1.024 1007 F HN -0.167 nan 8.300 nan 0.000 0.548 1008 Q N 0.784 120.688 119.800 0.174 0.000 2.222 1008 Q HA 0.458 4.806 4.340 0.013 0.000 0.252 1008 Q C -0.215 175.816 176.000 0.052 0.000 0.926 1008 Q CA -0.595 55.288 55.803 0.133 0.000 0.899 1008 Q CB 2.093 30.993 28.738 0.270 0.000 1.250 1008 Q HN 0.195 nan 8.270 nan 0.000 0.441 1009 L N 2.439 123.681 121.223 0.033 0.000 2.399 1009 L HA 0.123 4.470 4.340 0.013 0.000 0.257 1009 L C 0.504 177.353 176.870 -0.036 0.000 1.236 1009 L CA -0.041 54.813 54.840 0.024 0.000 1.144 1009 L CB -0.262 41.712 42.059 -0.142 0.000 1.379 1009 L HN 0.692 nan 8.230 nan 0.000 0.414 1010 S N -1.264 114.301 115.700 -0.226 0.000 2.568 1010 S HA 0.164 4.642 4.470 0.013 0.000 0.232 1010 S C 1.549 176.056 174.600 -0.154 0.000 0.975 1010 S CA 0.139 58.013 58.200 -0.543 0.000 0.949 1010 S CB 0.783 63.489 63.200 -0.822 0.000 0.829 1010 S HN 0.505 nan 8.310 nan 0.000 0.479 1011 A N 1.372 124.137 122.820 -0.091 0.000 2.121 1011 A HA 0.472 4.800 4.320 0.013 0.000 0.218 1011 A C 2.075 179.497 177.584 -0.270 0.000 1.154 1011 A CA 1.103 52.957 52.037 -0.305 0.000 0.679 1011 A CB -1.198 17.389 19.000 -0.689 0.000 0.795 1011 A HN 1.453 nan 8.150 nan 0.000 0.458 1012 G N -1.254 107.485 108.800 -0.103 0.000 2.640 1012 G HA2 -0.300 3.668 3.960 0.013 0.000 0.226 1012 G HA3 -0.300 3.668 3.960 0.013 0.000 0.226 1012 G C 0.459 175.337 174.900 -0.036 0.000 1.222 1012 G CA 0.463 45.556 45.100 -0.012 0.000 0.729 1012 G HN 0.686 nan 8.290 nan 0.000 0.516 1013 R N -0.517 119.836 120.500 -0.246 0.000 2.621 1013 R HA 0.712 5.060 4.340 0.013 0.000 0.292 1013 R C -1.519 174.508 176.300 -0.455 0.000 0.969 1013 R CA -0.590 55.409 56.100 -0.168 0.000 0.887 1013 R CB 1.539 31.789 30.300 -0.084 0.000 1.180 1013 R HN 0.257 nan 8.270 nan 0.000 0.450 1014 Y N 0.287 120.572 120.300 -0.026 0.000 2.492 1014 Y HA 0.337 4.894 4.550 0.013 0.000 0.346 1014 Y C -0.548 175.473 175.900 0.203 0.000 0.997 1014 Y CA -0.814 57.225 58.100 -0.102 0.000 1.025 1014 Y CB 2.163 40.438 38.460 -0.307 0.000 1.263 1014 Y HN 0.587 nan 8.280 nan 0.000 0.454 1015 H N 2.795 122.104 119.070 0.398 0.000 2.667 1015 H HA 0.613 5.177 4.556 0.013 0.000 0.353 1015 H C -1.744 173.974 175.328 0.650 0.000 1.072 1015 H CA -0.873 55.412 56.048 0.394 0.000 1.214 1015 H CB 1.093 30.992 29.762 0.229 0.000 1.600 1015 H HN 0.540 nan 8.280 nan 0.000 0.527 1016 Y N 1.830 121.973 120.300 -0.261 0.000 2.625 1016 Y HA 0.518 5.076 4.550 0.013 0.000 0.338 1016 Y C -1.652 174.065 175.900 -0.305 0.000 1.123 1016 Y CA -1.197 56.814 58.100 -0.147 0.000 1.046 1016 Y CB 1.413 39.875 38.460 0.003 0.000 1.299 1016 Y HN 0.776 nan 8.280 nan 0.000 0.464 1017 Q N 2.150 121.970 119.800 0.032 0.000 2.309 1017 Q HA 0.769 5.116 4.340 0.013 0.000 0.273 1017 Q C -2.587 173.507 176.000 0.157 0.000 1.040 1017 Q CA -0.691 55.114 55.803 0.003 0.000 0.834 1017 Q CB 2.550 31.328 28.738 0.067 0.000 1.345 1017 Q HN 0.917 nan 8.270 nan 0.000 0.414 1018 L N 2.463 123.765 121.223 0.130 0.000 2.388 1018 L HA 0.767 5.114 4.340 0.013 0.000 0.264 1018 L C -1.051 175.941 176.870 0.205 0.000 0.998 1018 L CA -1.369 53.583 54.840 0.188 0.000 0.817 1018 L CB 2.624 44.777 42.059 0.156 0.000 1.338 1018 L HN 0.552 nan 8.230 nan 0.000 0.414 1019 V N 1.216 121.273 119.914 0.239 0.000 2.417 1019 V HA 0.370 4.498 4.120 0.013 0.000 0.291 1019 V C -1.140 175.131 176.094 0.296 0.000 1.024 1019 V CA -0.408 62.039 62.300 0.246 0.000 0.861 1019 V CB 1.953 33.897 31.823 0.201 0.000 0.985 1019 V HN 0.603 nan 8.190 nan 0.000 0.436 1020 W N 7.351 128.722 121.300 0.118 0.000 2.417 1020 W HA 0.683 5.351 4.660 0.013 0.000 0.315 1020 W C -0.232 176.294 176.519 0.012 0.000 1.045 1020 W CA -1.208 56.125 57.345 -0.019 0.000 1.221 1020 W CB 1.277 30.792 29.460 0.090 0.000 1.309 1020 W HN 0.840 nan 8.180 nan 0.000 0.453 1021 C N 3.885 123.403 119.300 0.364 0.000 3.259 1021 C HA 0.659 5.126 4.460 0.013 0.000 0.328 1021 C C -0.625 174.468 174.990 0.171 0.000 1.425 1021 C CA -0.884 58.290 59.018 0.260 0.000 1.465 1021 C CB 1.836 29.682 27.740 0.177 0.000 1.890 1021 C HN 0.667 nan 8.230 nan 0.000 0.450 1022 Q N 1.287 121.145 119.800 0.095 0.000 2.290 1022 Q HA 0.476 4.824 4.340 0.013 0.000 0.259 1022 Q C -0.887 175.107 176.000 -0.010 0.000 0.941 1022 Q CA -0.042 55.761 55.803 0.000 0.000 0.912 1022 Q CB 0.867 29.581 28.738 -0.040 0.000 1.244 1022 Q HN 0.760 nan 8.270 nan 0.000 0.441 1023 K N 0.000 120.375 120.400 -0.041 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.275 56.287 -0.021 0.000 0.838 1023 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543