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 2vyc_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKVLIVESEF LHQDTWVGNA VERLADALSQ QNVTVIKSTS FDDGFAILSS DATA SEQUENCE NEAIDCLMFS YQMEHPDEHQ NVRQLIGKLH ERQQNVPVFL LGDREKALAA DATA SEQUENCE MDRDLLELVD EFAWILEDTA DFIAGRAVAA MTRYRQQLLP PLFSALMKYS DATA SEQUENCE DIHEYSWAAP GHQGGVGFTK TPAGRFYHDY YGENLFRTDM GIERTSLGSL DATA SEQUENCE LDHTGAFGES EKYAARVFGA DRSWSVVVGT SGSNRTIMQA CMTDNDVVVV DATA SEQUENCE DRNCHKSIEQ GLMLTGAKPV YMVPSRNRYG IIGPIYPQEM QPETLQKKIS DATA SEQUENCE ESPLTKDKAG QKPSYCVVTN CTYDGVCYNA KEAQDLLEKT SDRLHFDEAW DATA SEQUENCE YGYARFNPIY ADHYAMRGEP GDHNGPTVFA THSTHXLLNA LSQASYIHVR DATA SEQUENCE EGRGAINFSR FNQAYMMHAT TSPLYAICAS NDVAVSMMDG NSGLSLTQEV DATA SEQUENCE IDEAVDFRQA MARLYKEFTA DGSWFFKPWN KEVVTDPQTG KTYDFADAPT DATA SEQUENCE KLLTTVQDCW VMHPGESWHG FKDIPDNWSM LDPIKVSILA PGMGEDGELE DATA SEQUENCE ETGVPAALVT AWLGRHGIVP TRTTDFQIMF LFSMGVTRGK WGTLVNTLCS DATA SEQUENCE FKRHYDANTP LAQVMPELVE QYPDTYANMG IHDLGDTMFA WLKENNPGAR DATA SEQUENCE LNEAYSGLPV AEVTPREAYN AIVDNNVELV SIENLPGRIA ANSVIPYPPG DATA SEQUENCE IPMLLSGENF GDKNSPQVSY LRSLQSWDHH FPGFEHETEG TEIIDGIYHV DATA SEQUENCE MCVKA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.317 55.300 0.029 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 K N 2.758 123.169 120.400 0.019 0.000 2.307 2 K HA 0.750 5.070 4.320 -0.000 0.000 0.263 2 K C -1.422 175.168 176.600 -0.016 0.000 0.973 2 K CA -0.529 55.759 56.287 0.001 0.000 0.846 2 K CB 1.699 34.205 32.500 0.010 0.000 1.100 2 K HN 0.545 nan 8.250 nan 0.000 0.438 3 V N 5.509 125.402 119.914 -0.035 0.000 2.398 3 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 3 V C -0.463 175.603 176.094 -0.045 0.000 1.026 3 V CA -0.996 61.272 62.300 -0.054 0.000 0.868 3 V CB 1.329 33.099 31.823 -0.087 0.000 0.982 3 V HN 0.625 nan 8.190 nan 0.000 0.443 4 L N 7.193 128.393 121.223 -0.039 0.000 2.264 4 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 4 L C -0.468 176.383 176.870 -0.032 0.000 1.044 4 L CA 0.407 55.226 54.840 -0.036 0.000 0.807 4 L CB 0.724 42.765 42.059 -0.031 0.000 1.192 4 L HN 0.530 nan 8.230 nan 0.000 0.425 5 I N 6.160 126.704 120.570 -0.042 0.000 2.355 5 I HA 0.329 4.498 4.170 -0.000 0.000 0.288 5 I C -0.755 175.326 176.117 -0.060 0.000 0.999 5 I CA -0.816 60.462 61.300 -0.038 0.000 1.163 5 I CB 1.666 39.637 38.000 -0.047 0.000 1.316 5 I HN 0.254 nan 8.210 nan 0.000 0.454 6 V N 6.218 126.097 119.914 -0.059 0.000 2.333 6 V HA 0.229 4.348 4.120 -0.000 0.000 0.274 6 V C 0.137 176.131 176.094 -0.167 0.000 1.028 6 V CA -0.679 61.520 62.300 -0.168 0.000 0.851 6 V CB 1.007 32.667 31.823 -0.271 0.000 1.000 6 V HN 0.680 nan 8.190 nan 0.000 0.456 7 E N 2.594 122.704 120.200 -0.150 0.000 2.194 7 E HA 0.239 4.589 4.350 -0.000 0.000 0.284 7 E C 0.117 176.608 176.600 -0.181 0.000 1.035 7 E CA -0.153 56.198 56.400 -0.081 0.000 0.836 7 E CB 1.266 30.979 29.700 0.021 0.000 1.070 7 E HN 0.630 nan 8.360 nan 0.000 0.401 8 S N 3.196 118.771 115.700 -0.208 0.000 2.525 8 S HA -0.062 4.408 4.470 -0.000 0.000 0.285 8 S C 1.413 175.880 174.600 -0.222 0.000 1.283 8 S CA -0.504 57.576 58.200 -0.201 0.000 1.072 8 S CB 0.442 63.785 63.200 0.238 0.000 0.867 8 S HN 0.579 nan 8.310 nan 0.000 0.492 9 E N 5.195 125.183 120.200 -0.353 0.000 2.265 9 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 9 E C 0.917 177.147 176.600 -0.616 0.000 0.996 9 E CA 1.350 57.232 56.400 -0.863 0.000 0.832 9 E CB -0.518 28.860 29.700 -0.538 0.000 0.756 9 E HN 0.862 nan 8.360 nan 0.000 0.491 10 F N 0.586 120.408 119.950 -0.214 0.000 2.771 10 F HA 0.120 4.647 4.527 -0.000 0.000 0.299 10 F C 1.788 177.531 175.800 -0.095 0.000 1.177 10 F CA 0.572 58.511 58.000 -0.101 0.000 1.450 10 F CB 0.096 39.100 39.000 0.006 0.000 1.114 10 F HN -0.061 nan 8.300 nan 0.000 0.587 11 L N -1.483 119.737 121.223 -0.005 0.000 3.135 11 L HA 0.154 4.494 4.340 -0.000 0.000 0.279 11 L C 1.387 178.241 176.870 -0.027 0.000 1.200 11 L CA -0.104 54.722 54.840 -0.023 0.000 1.016 11 L CB -0.283 41.781 42.059 0.008 0.000 1.391 11 L HN 0.019 nan 8.230 nan 0.000 0.588 12 H N 1.005 120.012 119.070 -0.106 0.000 2.457 12 H HA -0.165 4.391 4.556 -0.000 0.000 0.297 12 H C 2.205 177.438 175.328 -0.158 0.000 1.092 12 H CA 1.427 57.396 56.048 -0.132 0.000 1.309 12 H CB 0.025 29.721 29.762 -0.110 0.000 1.382 12 H HN 0.461 nan 8.280 nan 0.000 0.535 13 Q N 1.065 120.844 119.800 -0.036 0.000 2.224 13 Q HA -0.093 4.246 4.340 -0.000 0.000 0.203 13 Q C -0.311 175.545 176.000 -0.241 0.000 0.970 13 Q CA 1.013 56.767 55.803 -0.081 0.000 0.865 13 Q CB -0.184 28.531 28.738 -0.037 0.000 0.922 13 Q HN 0.255 nan 8.270 nan 0.000 0.445 14 D N 2.752 122.880 120.400 -0.453 0.000 2.558 14 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 14 D C 0.864 176.507 176.300 -1.095 0.000 1.143 14 D CA 0.463 53.730 54.000 -1.222 0.000 1.010 14 D CB 0.929 41.082 40.800 -1.079 0.000 1.068 14 D HN 0.372 nan 8.370 nan 0.000 0.511 15 T N -1.486 112.685 114.554 -0.640 0.000 2.849 15 T HA -0.214 4.136 4.350 -0.000 0.000 0.270 15 T C 1.863 176.493 174.700 -0.118 0.000 1.066 15 T CA 0.684 62.648 62.100 -0.227 0.000 1.130 15 T CB -0.534 68.325 68.868 -0.016 0.000 0.864 15 T HN 0.612 nan 8.240 nan 0.000 0.481 16 W N 1.496 122.812 121.300 0.026 0.000 2.392 16 W HA 0.143 4.802 4.660 -0.000 0.000 0.279 16 W C 1.636 178.173 176.519 0.031 0.000 1.225 16 W CA 0.231 57.590 57.345 0.023 0.000 1.233 16 W CB -1.039 28.435 29.460 0.023 0.000 1.122 16 W HN 0.039 nan 8.180 nan 0.000 0.561 17 V N 2.468 122.206 119.914 -0.293 0.000 2.295 17 V HA -0.199 3.920 4.120 -0.000 0.000 0.246 17 V C 2.656 178.720 176.094 -0.050 0.000 1.049 17 V CA 2.292 64.517 62.300 -0.125 0.000 1.024 17 V CB -1.602 30.109 31.823 -0.187 0.000 0.648 17 V HN 0.464 nan 8.190 nan 0.000 0.447 18 G N 0.050 108.799 108.800 -0.085 0.000 2.440 18 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 18 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 18 G C 1.359 176.245 174.900 -0.023 0.000 1.154 18 G CA 1.265 46.330 45.100 -0.058 0.000 0.767 18 G HN 0.640 nan 8.290 nan 0.000 0.552 19 N N 0.960 119.665 118.700 0.010 0.000 2.069 19 N HA -0.088 4.651 4.740 -0.000 0.000 0.191 19 N C 2.537 178.069 175.510 0.036 0.000 1.031 19 N CA 1.041 54.111 53.050 0.034 0.000 0.852 19 N CB -0.207 38.327 38.487 0.079 0.000 1.018 19 N HN 0.363 nan 8.380 nan 0.000 0.423 20 A N 0.776 123.632 122.820 0.059 0.000 1.933 20 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 20 A C 2.370 179.971 177.584 0.028 0.000 1.175 20 A CA 1.125 53.196 52.037 0.058 0.000 0.628 20 A CB -0.613 18.445 19.000 0.097 0.000 0.814 20 A HN 0.120 nan 8.150 nan 0.000 0.444 21 V N -0.177 119.745 119.914 0.013 0.000 2.453 21 V HA -0.217 3.902 4.120 -0.000 0.000 0.247 21 V C 2.425 178.507 176.094 -0.020 0.000 1.048 21 V CA 2.053 64.349 62.300 -0.007 0.000 1.049 21 V CB -0.678 31.135 31.823 -0.015 0.000 0.672 21 V HN 0.736 nan 8.190 nan 0.000 0.457 22 E N 0.391 120.580 120.200 -0.019 0.000 2.077 22 E HA -0.223 4.126 4.350 -0.000 0.000 0.193 22 E C 2.482 179.069 176.600 -0.022 0.000 0.989 22 E CA 1.120 57.505 56.400 -0.025 0.000 0.800 22 E CB -0.023 29.663 29.700 -0.023 0.000 0.746 22 E HN 0.503 nan 8.360 nan 0.000 0.452 23 R N 0.053 120.546 120.500 -0.013 0.000 2.120 23 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 23 R C 2.489 178.773 176.300 -0.026 0.000 1.123 23 R CA 1.040 57.130 56.100 -0.017 0.000 0.975 23 R CB -0.295 30.000 30.300 -0.010 0.000 0.866 23 R HN 0.223 nan 8.270 nan 0.000 0.446 24 L N 0.451 121.659 121.223 -0.026 0.000 2.072 24 L HA 0.038 4.377 4.340 -0.000 0.000 0.205 24 L C 2.193 179.034 176.870 -0.048 0.000 1.079 24 L CA 1.734 56.552 54.840 -0.038 0.000 0.752 24 L CB -0.594 41.443 42.059 -0.036 0.000 0.906 24 L HN 0.058 nan 8.230 nan 0.000 0.436 25 A N -0.539 122.255 122.820 -0.045 0.000 1.902 25 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 25 A C 2.054 179.614 177.584 -0.041 0.000 1.181 25 A CA 1.801 53.810 52.037 -0.047 0.000 0.623 25 A CB -1.039 17.934 19.000 -0.044 0.000 0.818 25 A HN 0.598 nan 8.150 nan 0.000 0.443 26 D N 0.012 120.391 120.400 -0.035 0.000 2.092 26 D HA -0.099 4.541 4.640 -0.000 0.000 0.193 26 D C 2.012 178.293 176.300 -0.032 0.000 0.994 26 D CA 2.013 55.995 54.000 -0.031 0.000 0.828 26 D CB -0.289 40.495 40.800 -0.027 0.000 0.963 26 D HN 0.328 nan 8.370 nan 0.000 0.450 27 A N -0.042 122.756 122.820 -0.036 0.000 1.940 27 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 27 A C 2.501 180.063 177.584 -0.036 0.000 1.176 27 A CA 1.331 53.346 52.037 -0.036 0.000 0.631 27 A CB -0.872 18.104 19.000 -0.041 0.000 0.814 27 A HN 0.408 nan 8.150 nan 0.000 0.446 28 L N -0.572 120.623 121.223 -0.045 0.000 2.093 28 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 28 L C 2.843 179.691 176.870 -0.036 0.000 1.085 28 L CA 1.352 56.162 54.840 -0.050 0.000 0.755 28 L CB -0.376 41.642 42.059 -0.068 0.000 0.904 28 L HN 0.323 nan 8.230 nan 0.000 0.435 29 S N -0.479 115.202 115.700 -0.033 0.000 2.368 29 S HA -0.242 4.227 4.470 -0.000 0.000 0.225 29 S C 1.893 176.481 174.600 -0.020 0.000 1.030 29 S CA 1.227 59.411 58.200 -0.025 0.000 0.999 29 S CB -0.278 62.908 63.200 -0.025 0.000 0.844 29 S HN 0.463 nan 8.310 nan 0.000 0.459 30 Q N 0.698 120.487 119.800 -0.019 0.000 2.234 30 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 30 Q C 1.376 177.370 176.000 -0.010 0.000 0.980 30 Q CA 0.970 56.764 55.803 -0.014 0.000 0.869 30 Q CB -0.157 28.573 28.738 -0.015 0.000 0.912 30 Q HN 0.616 nan 8.270 nan 0.000 0.436 31 Q N 0.068 119.860 119.800 -0.012 0.000 2.212 31 Q HA 0.078 4.418 4.340 -0.000 0.000 0.213 31 Q C -0.361 175.634 176.000 -0.008 0.000 0.874 31 Q CA -0.275 55.523 55.803 -0.008 0.000 0.965 31 Q CB 0.354 29.088 28.738 -0.007 0.000 1.074 31 Q HN 0.270 nan 8.270 nan 0.000 0.473 32 N N -0.185 118.509 118.700 -0.010 0.000 2.741 32 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 32 N C -1.284 174.220 175.510 -0.010 0.000 1.115 32 N CA 0.330 53.375 53.050 -0.008 0.000 0.724 32 N CB -1.106 37.379 38.487 -0.003 0.000 1.090 32 N HN 0.054 nan 8.380 nan 0.000 0.558 33 V N 0.753 120.656 119.914 -0.017 0.000 2.465 33 V HA 0.305 4.425 4.120 -0.000 0.000 0.279 33 V C 0.936 177.016 176.094 -0.023 0.000 1.045 33 V CA -0.283 62.004 62.300 -0.021 0.000 0.938 33 V CB 1.587 33.389 31.823 -0.036 0.000 0.986 33 V HN 0.239 nan 8.190 nan 0.000 0.467 34 T N 4.890 119.434 114.554 -0.018 0.000 2.814 34 T HA 0.360 4.710 4.350 -0.000 0.000 0.297 34 T C -0.129 174.555 174.700 -0.027 0.000 0.956 34 T CA -0.116 61.973 62.100 -0.019 0.000 1.123 34 T CB 0.858 69.719 68.868 -0.012 0.000 0.902 34 T HN 0.392 nan 8.240 nan 0.000 0.528 35 V N 5.753 125.648 119.914 -0.031 0.000 2.357 35 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 35 V C 0.092 176.164 176.094 -0.037 0.000 1.018 35 V CA -0.785 61.492 62.300 -0.039 0.000 0.841 35 V CB 1.115 32.911 31.823 -0.044 0.000 0.991 35 V HN 0.787 nan 8.190 nan 0.000 0.437 36 I N 5.322 125.869 120.570 -0.038 0.000 2.331 36 I HA 0.385 4.554 4.170 -0.000 0.000 0.292 36 I C 0.277 176.366 176.117 -0.048 0.000 0.998 36 I CA -0.301 60.975 61.300 -0.039 0.000 1.267 36 I CB 1.017 38.997 38.000 -0.034 0.000 1.386 36 I HN 0.460 nan 8.210 nan 0.000 0.476 37 K N 4.641 125.011 120.400 -0.051 0.000 2.213 37 K HA 0.485 4.805 4.320 -0.000 0.000 0.270 37 K C -0.593 175.965 176.600 -0.070 0.000 1.002 37 K CA -0.409 55.842 56.287 -0.061 0.000 0.868 37 K CB 1.923 34.386 32.500 -0.061 0.000 1.093 37 K HN 0.513 nan 8.250 nan 0.000 0.454 38 S N 0.820 116.469 115.700 -0.085 0.000 2.513 38 S HA 0.294 4.763 4.470 -0.000 0.000 0.299 38 S C 0.510 175.043 174.600 -0.113 0.000 1.087 38 S CA -0.629 57.508 58.200 -0.104 0.000 1.012 38 S CB 1.143 64.266 63.200 -0.128 0.000 1.044 38 S HN 0.677 nan 8.310 nan 0.000 0.485 39 T N -0.169 114.328 114.554 -0.095 0.000 3.085 39 T HA 0.389 4.739 4.350 -0.000 0.000 0.264 39 T C 0.249 174.951 174.700 0.003 0.000 1.019 39 T CA 0.131 62.214 62.100 -0.029 0.000 0.910 39 T CB -0.376 68.459 68.868 -0.055 0.000 1.059 39 T HN 0.733 nan 8.240 nan 0.000 0.542 40 S N -0.775 114.835 115.700 -0.149 0.000 2.570 40 S HA 0.611 5.081 4.470 -0.000 0.000 0.270 40 S C -0.104 174.263 174.600 -0.387 0.000 1.149 40 S CA -0.859 57.211 58.200 -0.218 0.000 0.837 40 S CB 0.519 63.653 63.200 -0.109 0.000 1.124 40 S HN -0.108 nan 8.310 nan 0.000 0.465 41 F N 1.502 121.256 119.950 -0.326 0.000 2.161 41 F HA -0.047 4.480 4.527 -0.000 0.000 0.300 41 F C 2.262 177.312 175.800 -1.250 0.000 1.089 41 F CA 1.695 59.252 58.000 -0.739 0.000 1.282 41 F CB -0.379 38.251 39.000 -0.617 0.000 1.010 41 F HN 0.666 nan 8.300 nan 0.000 0.485 42 D N -0.250 119.866 120.400 -0.474 0.000 2.144 42 D HA -0.192 4.447 4.640 -0.000 0.000 0.200 42 D C 1.723 177.955 176.300 -0.113 0.000 0.978 42 D CA 1.605 55.502 54.000 -0.171 0.000 0.833 42 D CB -0.324 40.513 40.800 0.062 0.000 0.961 42 D HN 0.311 nan 8.370 nan 0.000 0.470 43 D N 0.597 120.909 120.400 -0.147 0.000 2.097 43 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 43 D C 2.239 178.473 176.300 -0.110 0.000 0.989 43 D CA 1.679 55.621 54.000 -0.096 0.000 0.827 43 D CB -0.457 40.284 40.800 -0.097 0.000 0.966 43 D HN 0.142 nan 8.370 nan 0.000 0.456 44 G N -0.640 108.032 108.800 -0.212 0.000 2.476 44 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 44 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 44 G C 1.408 176.281 174.900 -0.045 0.000 1.164 44 G CA 0.924 45.920 45.100 -0.173 0.000 0.768 44 G HN 0.263 nan 8.290 nan 0.000 0.560 45 F N 1.771 121.733 119.950 0.021 0.000 2.134 45 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 45 F C 2.994 178.793 175.800 -0.002 0.000 1.097 45 F CA 0.414 58.419 58.000 0.008 0.000 1.264 45 F CB -0.966 38.043 39.000 0.015 0.000 1.001 45 F HN 0.270 nan 8.300 nan 0.000 0.479 46 A N 0.159 123.090 122.820 0.184 0.000 1.897 46 A HA -0.066 4.253 4.320 -0.000 0.000 0.215 46 A C 2.282 179.900 177.584 0.057 0.000 1.181 46 A CA 1.253 53.350 52.037 0.101 0.000 0.620 46 A CB -1.044 17.998 19.000 0.070 0.000 0.821 46 A HN 0.334 nan 8.150 nan 0.000 0.443 47 I N -0.085 120.505 120.570 0.033 0.000 2.179 47 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 47 I C 2.150 178.283 176.117 0.026 0.000 1.088 47 I CA 1.183 62.492 61.300 0.014 0.000 1.357 47 I CB -0.276 37.718 38.000 -0.009 0.000 1.051 47 I HN 0.260 nan 8.210 nan 0.000 0.409 48 L N -0.183 121.066 121.223 0.043 0.000 2.362 48 L HA -0.126 4.213 4.340 -0.000 0.000 0.219 48 L C 2.287 179.185 176.870 0.047 0.000 1.134 48 L CA 0.739 55.606 54.840 0.045 0.000 0.807 48 L CB -0.483 41.609 42.059 0.055 0.000 0.927 48 L HN 0.200 nan 8.230 nan 0.000 0.447 49 S N -0.808 114.925 115.700 0.055 0.000 2.496 49 S HA -0.022 4.448 4.470 -0.000 0.000 0.224 49 S C 1.164 175.783 174.600 0.031 0.000 0.996 49 S CA 0.353 58.578 58.200 0.042 0.000 0.927 49 S CB -0.054 63.174 63.200 0.046 0.000 0.774 49 S HN 0.577 nan 8.310 nan 0.000 0.524 50 S N 3.222 118.938 115.700 0.027 0.000 2.617 50 S HA 0.111 4.581 4.470 -0.000 0.000 0.259 50 S C 0.626 175.238 174.600 0.019 0.000 1.301 50 S CA -0.411 57.800 58.200 0.019 0.000 0.984 50 S CB 0.168 63.376 63.200 0.013 0.000 0.954 50 S HN 0.392 nan 8.310 nan 0.000 0.572 51 N N -0.441 118.268 118.700 0.015 0.000 2.413 51 N HA 0.020 4.759 4.740 -0.000 0.000 0.207 51 N C -0.224 175.298 175.510 0.021 0.000 1.206 51 N CA -0.139 52.922 53.050 0.018 0.000 0.832 51 N CB -0.581 37.914 38.487 0.013 0.000 1.037 51 N HN 0.757 nan 8.380 nan 0.000 0.467 52 E N 0.820 121.032 120.200 0.019 0.000 2.351 52 E HA 0.329 4.679 4.350 -0.000 0.000 0.266 52 E C -0.703 175.914 176.600 0.029 0.000 1.031 52 E CA -0.253 56.158 56.400 0.018 0.000 0.911 52 E CB 0.401 30.108 29.700 0.010 0.000 0.986 52 E HN 0.388 nan 8.360 nan 0.000 0.446 53 A N 5.644 128.486 122.820 0.038 0.000 2.276 53 A HA 0.552 4.871 4.320 -0.000 0.000 0.300 53 A C -0.226 177.391 177.584 0.054 0.000 1.235 53 A CA -0.627 51.447 52.037 0.061 0.000 0.867 53 A CB -0.223 18.824 19.000 0.078 0.000 1.137 53 A HN 0.690 nan 8.150 nan 0.000 0.527 54 I N -1.251 119.345 120.570 0.044 0.000 2.892 54 I HA 0.602 4.772 4.170 -0.000 0.000 0.306 54 I C -0.506 175.603 176.117 -0.013 0.000 1.078 54 I CA -0.883 60.425 61.300 0.013 0.000 1.032 54 I CB 2.238 40.228 38.000 -0.017 0.000 1.229 54 I HN 0.400 nan 8.210 nan 0.000 0.435 55 D N 1.512 121.899 120.400 -0.022 0.000 2.417 55 D HA 0.175 4.815 4.640 -0.000 0.000 0.207 55 D C -0.363 175.850 176.300 -0.145 0.000 1.075 55 D CA 0.613 54.585 54.000 -0.047 0.000 0.851 55 D CB 1.084 41.949 40.800 0.108 0.000 0.976 55 D HN 0.519 nan 8.370 nan 0.000 0.505 56 C N 1.248 120.491 119.300 -0.095 0.000 3.006 56 C HA 0.513 4.973 4.460 -0.000 0.000 0.359 56 C C -1.816 173.155 174.990 -0.031 0.000 1.103 56 C CA -0.966 58.018 59.018 -0.056 0.000 1.286 56 C CB 0.511 28.212 27.740 -0.066 0.000 1.694 56 C HN 0.142 nan 8.230 nan 0.000 0.511 57 L N 6.864 128.099 121.223 0.021 0.000 2.296 57 L HA 0.809 5.149 4.340 -0.000 0.000 0.286 57 L C -0.463 176.492 176.870 0.142 0.000 1.023 57 L CA 0.023 54.895 54.840 0.054 0.000 0.812 57 L CB 1.106 43.187 42.059 0.036 0.000 1.223 57 L HN 0.774 nan 8.230 nan 0.000 0.421 58 M N 6.316 125.981 119.600 0.108 0.000 2.456 58 M HA 0.588 5.068 4.480 -0.000 0.000 0.324 58 M C -1.248 175.174 176.300 0.204 0.000 1.124 58 M CA -0.576 54.802 55.300 0.130 0.000 0.959 58 M CB 1.989 34.586 32.600 -0.005 0.000 1.692 58 M HN 0.604 nan 8.290 nan 0.000 0.444 59 F N -0.431 119.532 119.950 0.022 0.000 2.619 59 F HA 0.807 5.334 4.527 -0.000 0.000 0.308 59 F C -0.680 175.168 175.800 0.080 0.000 1.097 59 F CA -1.018 56.985 58.000 0.005 0.000 0.953 59 F CB 0.895 39.907 39.000 0.021 0.000 1.287 59 F HN 0.622 nan 8.300 nan 0.000 0.446 60 S N 2.165 117.932 115.700 0.112 0.000 2.672 60 S HA 0.749 5.218 4.470 -0.000 0.000 0.276 60 S C -1.613 173.225 174.600 0.396 0.000 1.207 60 S CA -0.483 57.794 58.200 0.127 0.000 1.002 60 S CB 1.827 65.084 63.200 0.096 0.000 0.998 60 S HN 1.084 nan 8.310 nan 0.000 0.542 61 Y N 0.564 120.976 120.300 0.186 0.000 2.275 61 Y HA 0.272 4.822 4.550 -0.000 0.000 0.319 61 Y C 0.506 176.496 175.900 0.151 0.000 1.204 61 Y CA -1.284 56.977 58.100 0.269 0.000 1.136 61 Y CB 1.159 39.823 38.460 0.341 0.000 1.228 61 Y HN 0.969 nan 8.280 nan 0.000 0.413 62 Q N 5.182 125.126 119.800 0.240 0.000 2.083 62 Q HA 0.017 4.357 4.340 -0.000 0.000 0.198 62 Q C 0.391 176.302 176.000 -0.148 0.000 0.969 62 Q CA 2.314 58.143 55.803 0.044 0.000 0.838 62 Q CB 0.064 28.853 28.738 0.086 0.000 0.900 62 Q HN 0.903 nan 8.270 nan 0.000 0.436 63 M N -1.078 118.302 119.600 -0.368 0.000 2.879 63 M HA -0.268 4.212 4.480 -0.000 0.000 0.210 63 M C -0.012 176.181 176.300 -0.179 0.000 0.550 63 M CA 0.809 55.819 55.300 -0.484 0.000 0.732 63 M CB -1.484 30.822 32.600 -0.492 0.000 2.662 63 M HN 0.295 nan 8.290 nan 0.000 0.516 64 E N -0.568 119.523 120.200 -0.182 0.000 2.192 64 E HA 0.147 4.497 4.350 -0.000 0.000 0.196 64 E C 0.780 177.362 176.600 -0.030 0.000 0.922 64 E CA -0.123 56.252 56.400 -0.041 0.000 0.924 64 E CB 0.292 29.999 29.700 0.011 0.000 0.911 64 E HN 0.465 nan 8.360 nan 0.000 0.478 65 H N 1.548 120.498 119.070 -0.201 0.000 2.683 65 H HA 0.078 4.634 4.556 -0.000 0.000 0.339 65 H C -1.934 173.265 175.328 -0.215 0.000 1.081 65 H CA -2.000 53.965 56.048 -0.138 0.000 1.432 65 H CB 1.412 31.138 29.762 -0.059 0.000 1.462 65 H HN -0.094 nan 8.280 nan 0.000 0.557 66 P HA -0.133 nan 4.420 nan 0.000 0.217 66 P C 0.831 178.262 177.300 0.218 0.000 1.148 66 P CA 1.134 64.395 63.100 0.268 0.000 0.828 66 P CB 0.458 32.254 31.700 0.161 0.000 0.783 67 D N -0.948 119.647 120.400 0.325 0.000 2.178 67 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 67 D C 1.922 178.117 176.300 -0.174 0.000 0.974 67 D CA 0.907 54.930 54.000 0.039 0.000 0.841 67 D CB -0.366 40.414 40.800 -0.033 0.000 0.953 67 D HN 0.331 nan 8.370 nan 0.000 0.478 68 E N -0.312 119.562 120.200 -0.544 0.000 2.072 68 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 68 E C 1.844 178.183 176.600 -0.435 0.000 0.982 68 E CA 0.607 56.546 56.400 -0.768 0.000 0.803 68 E CB 0.128 29.102 29.700 -1.210 0.000 0.755 68 E HN 0.356 nan 8.360 nan 0.000 0.453 69 H N 0.488 119.497 119.070 -0.102 0.000 2.353 69 H HA -0.173 4.382 4.556 -0.000 0.000 0.298 69 H C 2.137 177.380 175.328 -0.142 0.000 1.103 69 H CA 1.796 57.841 56.048 -0.005 0.000 1.293 69 H CB -0.279 29.526 29.762 0.073 0.000 1.372 69 H HN 0.375 nan 8.280 nan 0.000 0.501 70 Q N 0.617 120.407 119.800 -0.017 0.000 2.079 70 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 70 Q C 1.837 177.736 176.000 -0.167 0.000 0.974 70 Q CA 1.147 56.908 55.803 -0.070 0.000 0.840 70 Q CB 0.168 28.889 28.738 -0.029 0.000 0.898 70 Q HN 0.264 nan 8.270 nan 0.000 0.430 71 N N 0.091 118.641 118.700 -0.251 0.000 2.094 71 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 71 N C 1.807 177.005 175.510 -0.519 0.000 1.023 71 N CA 1.474 54.347 53.050 -0.296 0.000 0.857 71 N CB -0.506 37.601 38.487 -0.633 0.000 1.013 71 N HN 0.107 nan 8.380 nan 0.000 0.426 72 V N 1.595 121.034 119.914 -0.792 0.000 2.255 72 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 72 V C 2.372 178.219 176.094 -0.411 0.000 1.051 72 V CA 1.616 63.471 62.300 -0.741 0.000 1.018 72 V CB -0.370 30.924 31.823 -0.881 0.000 0.641 72 V HN 0.310 nan 8.190 nan 0.000 0.445 73 R N -0.547 119.797 120.500 -0.260 0.000 2.083 73 R HA -0.233 4.107 4.340 -0.000 0.000 0.237 73 R C 2.423 178.632 176.300 -0.152 0.000 1.137 73 R CA 1.922 57.927 56.100 -0.158 0.000 0.951 73 R CB -0.383 29.859 30.300 -0.097 0.000 0.851 73 R HN 0.588 nan 8.270 nan 0.000 0.434 74 Q N 0.347 120.045 119.800 -0.170 0.000 2.084 74 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 74 Q C 2.156 178.085 176.000 -0.120 0.000 0.978 74 Q CA 1.240 56.905 55.803 -0.230 0.000 0.844 74 Q CB -0.114 28.340 28.738 -0.474 0.000 0.898 74 Q HN 0.178 nan 8.270 nan 0.000 0.426 75 L N 0.354 121.643 121.223 0.109 0.000 1.994 75 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 75 L C 1.919 178.755 176.870 -0.058 0.000 1.071 75 L CA 1.708 56.674 54.840 0.211 0.000 0.745 75 L CB -0.216 41.946 42.059 0.172 0.000 0.892 75 L HN 0.215 nan 8.230 nan 0.000 0.431 76 I N -0.732 119.721 120.570 -0.195 0.000 2.439 76 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 76 I C 2.430 178.395 176.117 -0.253 0.000 1.139 76 I CA 0.999 62.121 61.300 -0.297 0.000 1.438 76 I CB -0.966 36.856 38.000 -0.296 0.000 1.085 76 I HN 0.397 nan 8.210 nan 0.000 0.427 77 G N 1.126 109.849 108.800 -0.128 0.000 2.418 77 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.217 77 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.217 77 G C 1.669 176.543 174.900 -0.044 0.000 1.158 77 G CA 1.098 46.162 45.100 -0.060 0.000 0.771 77 G HN 0.267 nan 8.290 nan 0.000 0.545 78 K N -0.088 120.276 120.400 -0.060 0.000 2.025 78 K HA 0.035 4.355 4.320 -0.000 0.000 0.207 78 K C 2.334 178.926 176.600 -0.014 0.000 1.049 78 K CA 0.977 57.248 56.287 -0.028 0.000 0.933 78 K CB -0.588 31.909 32.500 -0.005 0.000 0.714 78 K HN 0.160 nan 8.250 nan 0.000 0.438 79 L N 1.223 122.410 121.223 -0.059 0.000 2.010 79 L HA -0.274 4.066 4.340 -0.000 0.000 0.219 79 L C 1.655 178.534 176.870 0.015 0.000 1.077 79 L CA 2.199 56.990 54.840 -0.081 0.000 0.773 79 L CB -0.745 41.165 42.059 -0.248 0.000 0.892 79 L HN 0.453 nan 8.230 nan 0.000 0.436 80 H N -1.632 117.437 119.070 -0.003 0.000 2.547 80 H HA 0.007 4.563 4.556 -0.000 0.000 0.266 80 H C 1.782 177.115 175.328 0.007 0.000 0.988 80 H CA 0.282 56.332 56.048 0.003 0.000 1.147 80 H CB 0.326 30.087 29.762 -0.001 0.000 1.365 80 H HN 0.563 nan 8.280 nan 0.000 0.589 81 E N 0.787 121.054 120.200 0.111 0.000 2.028 81 E HA -0.091 4.258 4.350 -0.000 0.000 0.191 81 E C 1.729 178.363 176.600 0.056 0.000 0.988 81 E CA 0.863 57.300 56.400 0.062 0.000 0.799 81 E CB 0.224 29.944 29.700 0.033 0.000 0.755 81 E HN 0.395 nan 8.360 nan 0.000 0.447 82 R N -0.427 120.110 120.500 0.061 0.000 2.373 82 R HA 0.150 4.489 4.340 -0.000 0.000 0.221 82 R C 0.540 176.892 176.300 0.086 0.000 0.893 82 R CA 0.108 56.241 56.100 0.056 0.000 1.049 82 R CB 0.692 31.017 30.300 0.041 0.000 1.119 82 R HN 0.075 nan 8.270 nan 0.000 0.535 83 Q N 0.686 120.553 119.800 0.111 0.000 2.324 83 Q HA 0.104 4.444 4.340 -0.000 0.000 0.373 83 Q C 0.496 176.617 176.000 0.202 0.000 0.909 83 Q CA -0.156 55.736 55.803 0.148 0.000 1.135 83 Q CB 1.348 30.145 28.738 0.098 0.000 1.313 83 Q HN 0.203 nan 8.270 nan 0.000 0.417 84 Q N 1.299 121.194 119.800 0.159 0.000 2.197 84 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 84 Q C 0.456 176.428 176.000 -0.048 0.000 0.993 84 Q CA 1.994 57.833 55.803 0.060 0.000 0.883 84 Q CB 0.114 28.861 28.738 0.015 0.000 0.916 84 Q HN 0.499 nan 8.270 nan 0.000 0.418 85 N N -1.089 117.687 118.700 0.126 0.000 2.230 85 N HA 0.132 4.872 4.740 -0.000 0.000 0.202 85 N C -1.063 174.493 175.510 0.077 0.000 1.119 85 N CA -0.370 52.764 53.050 0.139 0.000 0.851 85 N CB 1.100 39.744 38.487 0.261 0.000 0.990 85 N HN -0.075 nan 8.380 nan 0.000 0.497 86 V N 3.716 123.577 119.914 -0.089 0.000 2.540 86 V HA 0.061 4.181 4.120 -0.000 0.000 0.297 86 V C -1.777 174.282 176.094 -0.059 0.000 1.024 86 V CA -1.097 60.966 62.300 -0.396 0.000 1.105 86 V CB 0.216 31.848 31.823 -0.319 0.000 0.938 86 V HN 0.131 nan 8.190 nan 0.000 0.482 87 P HA 0.148 nan 4.420 nan 0.000 0.271 87 P C -0.789 176.584 177.300 0.123 0.000 1.216 87 P CA 0.023 63.160 63.100 0.062 0.000 0.771 87 P CB 0.987 32.762 31.700 0.126 0.000 0.864 88 V N 4.835 124.810 119.914 0.101 0.000 2.357 88 V HA 0.297 4.417 4.120 -0.000 0.000 0.284 88 V C -0.099 176.014 176.094 0.031 0.000 1.018 88 V CA -0.371 62.010 62.300 0.134 0.000 0.841 88 V CB 0.494 32.390 31.823 0.122 0.000 0.991 88 V HN 0.333 nan 8.190 nan 0.000 0.437 89 F N 4.961 124.869 119.950 -0.070 0.000 2.404 89 F HA 0.506 5.032 4.527 -0.000 0.000 0.354 89 F C -0.011 175.589 175.800 -0.334 0.000 1.122 89 F CA -0.804 57.081 58.000 -0.192 0.000 1.080 89 F CB 1.606 40.521 39.000 -0.142 0.000 1.131 89 F HN 0.316 nan 8.300 nan 0.000 0.471 90 L N 5.753 126.727 121.223 -0.415 0.000 2.315 90 L HA 0.332 4.672 4.340 -0.000 0.000 0.283 90 L C -0.662 176.047 176.870 -0.270 0.000 1.089 90 L CA -0.031 54.436 54.840 -0.621 0.000 0.833 90 L CB 0.156 41.917 42.059 -0.495 0.000 1.170 90 L HN 0.479 nan 8.230 nan 0.000 0.442 91 L N 6.962 128.036 121.223 -0.249 0.000 2.397 91 L HA 0.477 4.817 4.340 -0.000 0.000 0.263 91 L C 0.739 177.654 176.870 0.075 0.000 1.136 91 L CA -0.259 54.565 54.840 -0.026 0.000 1.019 91 L CB -0.182 41.865 42.059 -0.021 0.000 1.352 91 L HN 0.818 nan 8.230 nan 0.000 0.420 92 G N 0.367 109.309 108.800 0.237 0.000 2.932 92 G HA2 0.332 4.291 3.960 -0.000 0.000 0.283 92 G HA3 0.332 4.291 3.960 -0.000 0.000 0.283 92 G C -1.584 173.549 174.900 0.389 0.000 1.336 92 G CA -0.440 44.859 45.100 0.331 0.000 1.056 92 G HN 0.351 nan 8.290 nan 0.000 0.522 93 D N -1.299 119.227 120.400 0.211 0.000 2.249 93 D HA 0.253 4.892 4.640 -0.000 0.000 0.246 93 D C 1.503 177.645 176.300 -0.263 0.000 1.114 93 D CA -0.512 53.506 54.000 0.030 0.000 0.854 93 D CB 1.407 42.209 40.800 0.003 0.000 1.132 93 D HN 0.354 nan 8.370 nan 0.000 0.461 94 R N 2.863 122.948 120.500 -0.691 0.000 2.094 94 R HA -0.208 4.131 4.340 -0.000 0.000 0.239 94 R C 1.323 177.192 176.300 -0.719 0.000 1.137 94 R CA 1.860 57.069 56.100 -1.484 0.000 0.943 94 R CB 0.027 29.423 30.300 -1.507 0.000 0.850 94 R HN 0.626 nan 8.270 nan 0.000 0.433 95 E N 0.104 120.059 120.200 -0.408 0.000 2.038 95 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 95 E C 2.153 178.647 176.600 -0.177 0.000 1.000 95 E CA 1.747 58.001 56.400 -0.243 0.000 0.803 95 E CB 0.003 29.608 29.700 -0.159 0.000 0.750 95 E HN 0.333 nan 8.360 nan 0.000 0.448 96 K N 0.358 120.673 120.400 -0.141 0.000 2.026 96 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 96 K C 2.202 178.766 176.600 -0.060 0.000 1.048 96 K CA 1.105 57.339 56.287 -0.087 0.000 0.929 96 K CB -0.160 32.294 32.500 -0.078 0.000 0.713 96 K HN 0.070 nan 8.250 nan 0.000 0.439 97 A N 1.300 124.099 122.820 -0.035 0.000 1.902 97 A HA -0.137 4.182 4.320 -0.000 0.000 0.217 97 A C 2.086 179.693 177.584 0.039 0.000 1.181 97 A CA 1.311 53.416 52.037 0.114 0.000 0.623 97 A CB -0.614 18.617 19.000 0.385 0.000 0.818 97 A HN 0.165 nan 8.150 nan 0.000 0.443 98 L N -1.026 120.142 121.223 -0.091 0.000 2.156 98 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 98 L C 3.046 179.875 176.870 -0.068 0.000 1.095 98 L CA 0.830 55.608 54.840 -0.104 0.000 0.770 98 L CB -0.606 41.358 42.059 -0.159 0.000 0.914 98 L HN 0.441 nan 8.230 nan 0.000 0.439 99 A N 0.326 123.106 122.820 -0.066 0.000 1.978 99 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 99 A C 2.309 179.880 177.584 -0.021 0.000 1.170 99 A CA 1.767 53.778 52.037 -0.044 0.000 0.636 99 A CB -0.452 18.520 19.000 -0.047 0.000 0.810 99 A HN 0.397 nan 8.150 nan 0.000 0.448 100 A N -1.641 121.178 122.820 -0.001 0.000 2.275 100 A HA 0.432 4.752 4.320 -0.000 0.000 0.212 100 A C 1.007 178.623 177.584 0.053 0.000 1.201 100 A CA 0.275 52.326 52.037 0.024 0.000 0.843 100 A CB -0.524 18.501 19.000 0.042 0.000 0.873 100 A HN 0.530 nan 8.150 nan 0.000 0.492 101 M N 2.483 122.105 119.600 0.037 0.000 2.427 101 M HA 0.266 4.746 4.480 -0.000 0.000 0.345 101 M C -0.711 175.612 176.300 0.039 0.000 1.653 101 M CA 0.330 55.655 55.300 0.041 0.000 1.138 101 M CB -0.395 32.188 32.600 -0.028 0.000 1.995 101 M HN 0.512 nan 8.290 nan 0.000 0.459 102 D N 2.753 123.193 120.400 0.068 0.000 2.768 102 D HA 0.307 4.947 4.640 -0.000 0.000 0.327 102 D C 0.074 176.417 176.300 0.072 0.000 1.302 102 D CA -0.714 53.317 54.000 0.052 0.000 0.897 102 D CB 0.499 41.320 40.800 0.035 0.000 1.420 102 D HN 0.504 nan 8.370 nan 0.000 0.494 103 R N -0.490 120.043 120.500 0.055 0.000 2.105 103 R HA -0.092 4.248 4.340 -0.000 0.000 0.239 103 R C 0.796 177.139 176.300 0.071 0.000 1.135 103 R CA 1.728 57.863 56.100 0.058 0.000 0.967 103 R CB -0.377 29.947 30.300 0.040 0.000 0.861 103 R HN 0.479 nan 8.270 nan 0.000 0.442 104 D N 0.736 121.175 120.400 0.065 0.000 2.117 104 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 104 D C 1.845 178.209 176.300 0.107 0.000 0.987 104 D CA 0.874 54.916 54.000 0.069 0.000 0.829 104 D CB -0.194 40.636 40.800 0.049 0.000 0.961 104 D HN 0.048 nan 8.370 nan 0.000 0.460 105 L N 0.660 121.968 121.223 0.142 0.000 2.046 105 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 105 L C 2.178 179.186 176.870 0.231 0.000 1.077 105 L CA 1.323 56.295 54.840 0.221 0.000 0.747 105 L CB -0.440 41.786 42.059 0.279 0.000 0.896 105 L HN 0.017 nan 8.230 nan 0.000 0.432 106 L N -1.100 120.244 121.223 0.201 0.000 2.240 106 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 106 L C 2.391 179.333 176.870 0.120 0.000 1.106 106 L CA 0.809 55.762 54.840 0.188 0.000 0.793 106 L CB -0.443 41.713 42.059 0.161 0.000 0.927 106 L HN 0.297 nan 8.230 nan 0.000 0.446 107 E N 0.949 121.211 120.200 0.103 0.000 2.106 107 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 107 E C 2.107 178.771 176.600 0.107 0.000 0.984 107 E CA 1.277 57.728 56.400 0.085 0.000 0.806 107 E CB -0.044 29.698 29.700 0.070 0.000 0.750 107 E HN 0.401 nan 8.360 nan 0.000 0.458 108 L N -0.615 120.675 121.223 0.113 0.000 2.127 108 L HA 0.109 4.449 4.340 -0.000 0.000 0.203 108 L C 0.281 177.215 176.870 0.107 0.000 1.080 108 L CA 0.209 55.113 54.840 0.108 0.000 0.768 108 L CB 0.261 42.375 42.059 0.092 0.000 0.924 108 L HN -0.083 nan 8.230 nan 0.000 0.444 109 V N 0.143 120.097 119.914 0.066 0.000 2.417 109 V HA 0.144 4.264 4.120 -0.000 0.000 0.291 109 V C 0.032 176.018 176.094 -0.181 0.000 1.024 109 V CA -0.502 61.739 62.300 -0.099 0.000 0.861 109 V CB 1.708 33.323 31.823 -0.346 0.000 0.985 109 V HN 0.157 nan 8.190 nan 0.000 0.436 110 D N 1.821 122.089 120.400 -0.220 0.000 2.262 110 D HA 0.097 4.737 4.640 -0.000 0.000 0.212 110 D C 0.392 176.476 176.300 -0.360 0.000 0.964 110 D CA 0.681 54.559 54.000 -0.204 0.000 0.875 110 D CB 0.886 41.605 40.800 -0.136 0.000 0.996 110 D HN 0.504 nan 8.370 nan 0.000 0.497 111 E N 0.047 119.838 120.200 -0.681 0.000 2.293 111 E HA 0.360 4.710 4.350 -0.000 0.000 0.270 111 E C -1.103 174.961 176.600 -0.894 0.000 0.879 111 E CA -0.602 55.299 56.400 -0.831 0.000 0.756 111 E CB 2.128 30.854 29.700 -1.624 0.000 1.208 111 E HN -0.086 nan 8.360 nan 0.000 0.428 112 F N 0.845 120.493 119.950 -0.503 0.000 2.436 112 F HA 0.591 5.118 4.527 -0.000 0.000 0.340 112 F C 0.325 175.689 175.800 -0.726 0.000 1.113 112 F CA -0.792 56.842 58.000 -0.610 0.000 1.022 112 F CB 1.835 40.376 39.000 -0.764 0.000 1.128 112 F HN 0.377 nan 8.300 nan 0.000 0.466 113 A N 3.640 126.208 122.820 -0.419 0.000 2.332 113 A HA 0.462 4.782 4.320 -0.000 0.000 0.300 113 A C -1.566 175.978 177.584 -0.066 0.000 1.153 113 A CA -0.646 51.239 52.037 -0.253 0.000 0.764 113 A CB 0.286 19.324 19.000 0.063 0.000 1.174 113 A HN 0.929 nan 8.150 nan 0.000 0.467 114 W N 4.050 125.435 121.300 0.142 0.000 2.081 114 W HA 0.255 4.915 4.660 -0.000 0.000 0.433 114 W C 1.031 177.610 176.519 0.100 0.000 0.876 114 W CA -0.654 56.759 57.345 0.113 0.000 1.631 114 W CB 0.275 29.794 29.460 0.099 0.000 1.757 114 W HN 0.777 nan 8.180 nan 0.000 0.298 115 I N 2.450 123.209 120.570 0.315 0.000 2.248 115 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 115 I C 1.799 178.026 176.117 0.182 0.000 1.107 115 I CA 1.861 63.278 61.300 0.195 0.000 1.373 115 I CB 0.055 38.143 38.000 0.146 0.000 1.055 115 I HN 0.402 nan 8.210 nan 0.000 0.418 116 L N -0.578 120.770 121.223 0.208 0.000 2.591 116 L HA 0.099 4.439 4.340 -0.000 0.000 0.228 116 L C 1.171 178.130 176.870 0.148 0.000 1.133 116 L CA 0.377 55.325 54.840 0.179 0.000 0.880 116 L CB -0.373 41.809 42.059 0.204 0.000 1.033 116 L HN 0.280 nan 8.230 nan 0.000 0.450 117 E N -1.455 118.855 120.200 0.184 0.000 2.676 117 E HA 0.085 4.434 4.350 -0.000 0.000 0.225 117 E C -0.397 176.314 176.600 0.185 0.000 0.944 117 E CA -0.141 56.362 56.400 0.171 0.000 1.156 117 E CB 1.093 30.912 29.700 0.198 0.000 1.117 117 E HN 0.135 nan 8.360 nan 0.000 0.523 118 D N -0.029 120.477 120.400 0.177 0.000 2.497 118 D HA 0.253 4.893 4.640 -0.000 0.000 0.243 118 D C -0.713 175.621 176.300 0.057 0.000 1.039 118 D CA -0.505 53.597 54.000 0.169 0.000 1.052 118 D CB 1.844 42.767 40.800 0.205 0.000 1.344 118 D HN -0.283 nan 8.370 nan 0.000 0.553 119 T N 0.980 115.509 114.554 -0.042 0.000 2.817 119 T HA 0.452 4.802 4.350 -0.000 0.000 0.293 119 T C 1.214 175.809 174.700 -0.175 0.000 0.964 119 T CA 0.029 61.953 62.100 -0.292 0.000 1.085 119 T CB 1.375 69.667 68.868 -0.960 0.000 0.921 119 T HN 0.417 nan 8.240 nan 0.000 0.502 120 A N 3.451 126.195 122.820 -0.125 0.000 1.903 120 A HA -0.181 4.138 4.320 -0.000 0.000 0.219 120 A C 2.074 179.622 177.584 -0.061 0.000 1.191 120 A CA 1.773 53.770 52.037 -0.068 0.000 0.638 120 A CB -0.485 18.478 19.000 -0.061 0.000 0.823 120 A HN 0.814 nan 8.150 nan 0.000 0.451 121 D N -0.850 119.479 120.400 -0.118 0.000 2.123 121 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 121 D C 1.689 178.061 176.300 0.119 0.000 0.992 121 D CA 1.108 55.084 54.000 -0.040 0.000 0.833 121 D CB -0.401 40.354 40.800 -0.074 0.000 0.954 121 D HN 0.427 nan 8.370 nan 0.000 0.455 122 F N 1.075 121.031 119.950 0.010 0.000 2.075 122 F HA -0.077 4.449 4.527 -0.000 0.000 0.297 122 F C 2.551 178.362 175.800 0.017 0.000 1.113 122 F CA 0.170 58.181 58.000 0.018 0.000 1.218 122 F CB -1.200 37.816 39.000 0.027 0.000 0.984 122 F HN -0.038 nan 8.300 nan 0.000 0.472 123 I N -0.057 120.631 120.570 0.197 0.000 2.226 123 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 123 I C 2.630 178.747 176.117 -0.000 0.000 1.100 123 I CA 1.269 62.630 61.300 0.103 0.000 1.374 123 I CB -0.838 37.195 38.000 0.055 0.000 1.057 123 I HN 0.068 nan 8.210 nan 0.000 0.413 124 A N 1.051 123.863 122.820 -0.014 0.000 1.883 124 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 124 A C 2.465 180.034 177.584 -0.025 0.000 1.186 124 A CA 2.014 54.016 52.037 -0.059 0.000 0.624 124 A CB -1.539 17.437 19.000 -0.040 0.000 0.822 124 A HN 0.466 nan 8.150 nan 0.000 0.444 125 G N -0.796 108.030 108.800 0.044 0.000 2.440 125 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 125 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 125 G C 1.771 176.706 174.900 0.059 0.000 1.154 125 G CA 0.905 46.040 45.100 0.058 0.000 0.767 125 G HN 0.534 nan 8.290 nan 0.000 0.552 126 R N 0.310 120.863 120.500 0.088 0.000 2.092 126 R HA 0.072 4.412 4.340 -0.000 0.000 0.231 126 R C 3.024 179.437 176.300 0.189 0.000 1.119 126 R CA 0.978 57.174 56.100 0.161 0.000 0.970 126 R CB -0.330 30.123 30.300 0.255 0.000 0.864 126 R HN 0.369 nan 8.270 nan 0.000 0.440 127 A N 0.736 123.512 122.820 -0.073 0.000 1.877 127 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 127 A C 2.342 179.879 177.584 -0.078 0.000 1.186 127 A CA 1.277 53.119 52.037 -0.325 0.000 0.620 127 A CB -0.568 18.082 19.000 -0.583 0.000 0.822 127 A HN 0.097 nan 8.150 nan 0.000 0.443 128 V N -0.061 119.829 119.914 -0.040 0.000 2.332 128 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 128 V C 3.050 179.170 176.094 0.042 0.000 1.055 128 V CA 2.017 64.319 62.300 0.003 0.000 1.038 128 V CB -1.200 30.624 31.823 0.003 0.000 0.651 128 V HN 0.627 nan 8.190 nan 0.000 0.450 129 A N -0.142 122.714 122.820 0.060 0.000 1.902 129 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 129 A C 2.432 180.076 177.584 0.099 0.000 1.181 129 A CA 2.034 54.114 52.037 0.072 0.000 0.623 129 A CB -0.776 18.266 19.000 0.070 0.000 0.818 129 A HN 0.570 nan 8.150 nan 0.000 0.443 130 A N -0.438 122.469 122.820 0.145 0.000 1.902 130 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 130 A C 2.273 179.959 177.584 0.170 0.000 1.181 130 A CA 1.858 54.003 52.037 0.180 0.000 0.623 130 A CB -0.551 18.641 19.000 0.320 0.000 0.818 130 A HN 0.538 nan 8.150 nan 0.000 0.443 131 M N -0.985 118.698 119.600 0.137 0.000 2.175 131 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 131 M C 2.245 178.641 176.300 0.160 0.000 1.063 131 M CA 1.813 57.205 55.300 0.152 0.000 1.119 131 M CB -0.801 31.848 32.600 0.083 0.000 1.377 131 M HN 0.430 nan 8.290 nan 0.000 0.415 132 T N 0.399 115.014 114.554 0.101 0.000 2.652 132 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 132 T C 1.876 176.617 174.700 0.068 0.000 1.039 132 T CA 1.256 63.398 62.100 0.069 0.000 1.153 132 T CB -0.309 68.587 68.868 0.047 0.000 0.863 132 T HN 0.360 nan 8.240 nan 0.000 0.428 133 R N -0.291 120.260 120.500 0.084 0.000 2.096 133 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 133 R C 2.346 178.703 176.300 0.095 0.000 1.139 133 R CA 1.776 57.921 56.100 0.075 0.000 0.952 133 R CB -0.667 29.681 30.300 0.080 0.000 0.854 133 R HN 0.483 nan 8.270 nan 0.000 0.436 134 Y N 1.480 121.799 120.300 0.031 0.000 2.097 134 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 134 Y C 2.488 178.401 175.900 0.022 0.000 1.152 134 Y CA 1.555 59.674 58.100 0.032 0.000 1.136 134 Y CB -0.263 38.226 38.460 0.049 0.000 0.975 134 Y HN -0.121 nan 8.280 nan 0.000 0.498 135 R N 0.115 120.561 120.500 -0.090 0.000 2.096 135 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 135 R C 2.240 178.440 176.300 -0.166 0.000 1.127 135 R CA 1.903 57.896 56.100 -0.178 0.000 0.968 135 R CB -0.232 30.055 30.300 -0.022 0.000 0.861 135 R HN 0.566 nan 8.270 nan 0.000 0.440 136 Q N -0.183 119.559 119.800 -0.097 0.000 2.234 136 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 136 Q C 1.566 177.498 176.000 -0.113 0.000 0.980 136 Q CA 1.690 57.442 55.803 -0.086 0.000 0.869 136 Q CB 0.095 28.805 28.738 -0.045 0.000 0.912 136 Q HN 0.430 nan 8.270 nan 0.000 0.436 137 Q N -0.683 119.029 119.800 -0.148 0.000 2.282 137 Q HA 0.051 4.391 4.340 -0.000 0.000 0.206 137 Q C 1.437 177.320 176.000 -0.195 0.000 0.878 137 Q CA 0.104 55.820 55.803 -0.145 0.000 0.944 137 Q CB -0.106 28.577 28.738 -0.092 0.000 1.100 137 Q HN 0.176 nan 8.270 nan 0.000 0.509 138 L N 0.289 121.340 121.223 -0.288 0.000 2.017 138 L HA 0.139 4.479 4.340 -0.000 0.000 0.208 138 L C 0.414 177.212 176.870 -0.120 0.000 1.073 138 L CA 1.483 56.144 54.840 -0.298 0.000 0.745 138 L CB -0.156 41.667 42.059 -0.393 0.000 0.894 138 L HN 0.343 nan 8.230 nan 0.000 0.432 139 L N 1.414 122.587 121.223 -0.083 0.000 2.371 139 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 139 L C -1.840 175.023 176.870 -0.012 0.000 1.124 139 L CA -2.004 52.845 54.840 0.016 0.000 0.816 139 L CB 0.186 42.245 42.059 -0.001 0.000 1.129 139 L HN 0.097 nan 8.230 nan 0.000 0.448 140 P HA 0.130 nan 4.420 nan 0.000 0.272 140 P C -2.304 174.980 177.300 -0.027 0.000 1.240 140 P CA -1.385 61.715 63.100 0.000 0.000 0.791 140 P CB 0.168 31.979 31.700 0.186 0.000 0.978 141 P HA -0.096 nan 4.420 nan 0.000 0.219 141 P C 1.581 178.816 177.300 -0.109 0.000 1.150 141 P CA 0.812 63.841 63.100 -0.119 0.000 0.814 141 P CB 0.066 31.681 31.700 -0.141 0.000 0.787 142 L N -0.960 120.217 121.223 -0.077 0.000 2.049 142 L HA 0.011 4.350 4.340 -0.000 0.000 0.203 142 L C 2.459 179.286 176.870 -0.072 0.000 1.074 142 L CA 1.544 56.278 54.840 -0.176 0.000 0.749 142 L CB -1.853 40.071 42.059 -0.226 0.000 0.907 142 L HN -0.209 nan 8.230 nan 0.000 0.439 143 F N -0.091 119.795 119.950 -0.106 0.000 2.091 143 F HA -0.271 4.255 4.527 -0.001 0.000 0.299 143 F C 2.833 178.595 175.800 -0.063 0.000 1.103 143 F CA 1.815 59.776 58.000 -0.065 0.000 1.228 143 F CB -1.078 37.908 39.000 -0.023 0.000 0.984 143 F HN 0.246 nan 8.300 nan 0.000 0.477 144 S N -0.133 115.429 115.700 -0.229 0.000 2.359 144 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 144 S C 2.328 176.780 174.600 -0.247 0.000 1.035 144 S CA 1.524 59.535 58.200 -0.314 0.000 1.018 144 S CB -0.917 62.173 63.200 -0.183 0.000 0.876 144 S HN 0.563 nan 8.310 nan 0.000 0.448 145 A N 1.435 124.146 122.820 -0.180 0.000 1.858 145 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 145 A C 2.211 179.743 177.584 -0.087 0.000 1.190 145 A CA 1.562 53.516 52.037 -0.139 0.000 0.617 145 A CB -0.964 17.933 19.000 -0.172 0.000 0.827 145 A HN 0.567 nan 8.150 nan 0.000 0.443 146 L N -1.227 119.932 121.223 -0.106 0.000 2.081 146 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 146 L C 2.847 179.721 176.870 0.007 0.000 1.080 146 L CA 1.947 56.787 54.840 -0.000 0.000 0.754 146 L CB -0.458 41.625 42.059 0.039 0.000 0.893 146 L HN 0.585 nan 8.230 nan 0.000 0.433 147 M N -0.199 119.310 119.600 -0.151 0.000 2.064 147 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 147 M C 2.375 178.632 176.300 -0.072 0.000 1.073 147 M CA 1.797 56.987 55.300 -0.183 0.000 1.124 147 M CB -0.044 32.269 32.600 -0.477 0.000 1.326 147 M HN 0.055 nan 8.290 nan 0.000 0.410 148 K N -0.620 119.736 120.400 -0.073 0.000 2.032 148 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 148 K C 1.979 178.628 176.600 0.082 0.000 1.048 148 K CA 1.912 58.195 56.287 -0.007 0.000 0.927 148 K CB -0.657 31.833 32.500 -0.016 0.000 0.712 148 K HN 0.382 nan 8.250 nan 0.000 0.441 149 Y N 2.055 122.334 120.300 -0.035 0.000 2.224 149 Y HA -0.213 4.337 4.550 -0.001 0.000 0.289 149 Y C 2.472 178.394 175.900 0.038 0.000 1.146 149 Y CA 1.474 59.572 58.100 -0.002 0.000 1.182 149 Y CB -0.479 37.969 38.460 -0.021 0.000 0.983 149 Y HN 0.115 nan 8.280 nan 0.000 0.524 150 S N -1.190 114.493 115.700 -0.028 0.000 2.481 150 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 150 S C 1.423 176.062 174.600 0.066 0.000 0.996 150 S CA 1.152 59.348 58.200 -0.007 0.000 0.942 150 S CB -0.349 62.939 63.200 0.147 0.000 0.768 150 S HN 0.422 nan 8.310 nan 0.000 0.520 151 D N 1.693 122.113 120.400 0.033 0.000 2.317 151 D HA 0.104 4.744 4.640 -0.000 0.000 0.211 151 D C 1.669 177.985 176.300 0.026 0.000 0.966 151 D CA 1.008 55.035 54.000 0.045 0.000 0.876 151 D CB -0.024 40.795 40.800 0.031 0.000 0.927 151 D HN 0.805 nan 8.370 nan 0.000 0.519 152 I N -2.850 117.705 120.570 -0.025 0.000 4.032 152 I HA 0.190 4.360 4.170 -0.000 0.000 0.313 152 I C 0.773 176.814 176.117 -0.126 0.000 1.272 152 I CA -0.345 60.934 61.300 -0.035 0.000 1.307 152 I CB -0.130 37.884 38.000 0.022 0.000 1.155 152 I HN -0.282 nan 8.210 nan 0.000 0.431 153 H N 3.487 122.287 119.070 -0.450 0.000 3.094 153 H HA 0.123 4.678 4.556 -0.001 0.000 0.320 153 H C 0.014 175.039 175.328 -0.505 0.000 1.000 153 H CA 0.344 55.972 56.048 -0.699 0.000 1.413 153 H CB 0.479 29.552 29.762 -1.148 0.000 1.405 153 H HN 0.352 nan 8.280 nan 0.000 0.586 154 E N 4.497 124.193 120.200 -0.839 0.000 2.052 154 E HA 0.042 4.392 4.350 -0.000 0.000 0.283 154 E C -0.450 175.669 176.600 -0.802 0.000 1.071 154 E CA -0.092 55.970 56.400 -0.564 0.000 0.851 154 E CB -0.171 29.378 29.700 -0.252 0.000 1.066 154 E HN 0.685 nan 8.360 nan 0.000 0.396 155 Y N 1.891 121.986 120.300 -0.341 0.000 2.497 155 Y HA -0.015 4.534 4.550 -0.000 0.000 0.292 155 Y C 0.936 176.678 175.900 -0.263 0.000 1.137 155 Y CA 0.529 58.524 58.100 -0.174 0.000 1.285 155 Y CB 0.243 38.679 38.460 -0.041 0.000 0.991 155 Y HN 0.283 nan 8.280 nan 0.000 0.556 156 S N -1.638 113.864 115.700 -0.329 0.000 2.645 156 S HA 0.054 4.524 4.470 -0.000 0.000 0.266 156 S C -0.258 173.972 174.600 -0.617 0.000 1.258 156 S CA -0.302 57.446 58.200 -0.753 0.000 0.990 156 S CB 0.023 62.383 63.200 -1.399 0.000 0.967 156 S HN 0.592 nan 8.310 nan 0.000 0.556 157 W N -1.375 119.915 121.300 -0.016 0.000 3.904 157 W HA -0.190 4.469 4.660 -0.001 0.000 0.312 157 W C 0.200 176.714 176.519 -0.008 0.000 1.159 157 W CA 0.207 57.543 57.345 -0.016 0.000 0.704 157 W CB -2.170 27.278 29.460 -0.021 0.000 2.209 157 W HN 0.810 nan 8.180 nan 0.000 1.468 158 A N -0.481 122.382 122.820 0.073 0.000 2.609 158 A HA 0.937 5.257 4.320 -0.000 0.000 0.291 158 A C -0.291 177.302 177.584 0.015 0.000 1.096 158 A CA -0.551 51.526 52.037 0.066 0.000 0.684 158 A CB 0.639 19.695 19.000 0.092 0.000 1.282 158 A HN 0.981 nan 8.150 nan 0.000 0.412 159 A N 1.471 124.299 122.820 0.014 0.000 2.351 159 A HA 0.705 5.025 4.320 -0.000 0.000 0.257 159 A C -2.200 175.367 177.584 -0.029 0.000 1.087 159 A CA -1.181 50.843 52.037 -0.023 0.000 0.798 159 A CB -0.530 18.464 19.000 -0.011 0.000 1.033 159 A HN 0.610 nan 8.150 nan 0.000 0.488 160 P HA 0.140 nan 4.420 nan 0.000 0.275 160 P C 1.013 178.162 177.300 -0.252 0.000 1.227 160 P CA 0.327 63.329 63.100 -0.164 0.000 0.781 160 P CB 0.820 32.398 31.700 -0.204 0.000 0.906 161 G N 2.215 110.923 108.800 -0.152 0.000 2.485 161 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.221 161 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.221 161 G C 1.189 175.980 174.900 -0.183 0.000 1.115 161 G CA 1.184 46.202 45.100 -0.137 0.000 0.751 161 G HN 0.774 nan 8.290 nan 0.000 0.567 162 H N -1.132 117.851 119.070 -0.145 0.000 2.491 162 H HA 0.103 4.659 4.556 -0.000 0.000 0.290 162 H C 0.881 176.125 175.328 -0.140 0.000 1.050 162 H CA 0.906 56.798 56.048 -0.261 0.000 1.309 162 H CB -0.234 29.262 29.762 -0.445 0.000 1.392 162 H HN 0.342 nan 8.280 nan 0.000 0.554 163 Q N 0.154 119.796 119.800 -0.263 0.000 2.456 163 Q HA -0.160 4.180 4.340 -0.000 0.000 0.325 163 Q C 0.888 176.853 176.000 -0.058 0.000 1.453 163 Q CA 0.844 56.604 55.803 -0.072 0.000 0.848 163 Q CB -2.463 26.219 28.738 -0.094 0.000 1.123 163 Q HN 1.114 nan 8.270 nan 0.000 0.374 164 G N -1.093 107.703 108.800 -0.006 0.000 2.273 164 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.280 164 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.280 164 G C 0.956 175.956 174.900 0.167 0.000 1.047 164 G CA 1.163 46.159 45.100 -0.173 0.000 0.869 164 G HN 1.830 nan 8.290 nan 0.000 0.502 165 G N -2.900 106.195 108.800 0.491 0.000 2.258 165 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.233 165 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.233 165 G C 1.458 176.356 174.900 -0.003 0.000 1.006 165 G CA 1.061 46.294 45.100 0.222 0.000 0.620 165 G HN 1.441 nan 8.290 nan 0.000 0.511 166 V N 1.769 121.646 119.914 -0.062 0.000 2.324 166 V HA -0.084 4.035 4.120 -0.000 0.000 0.250 166 V C 3.185 179.172 176.094 -0.179 0.000 1.060 166 V CA 3.245 65.452 62.300 -0.156 0.000 1.042 166 V CB -1.252 30.495 31.823 -0.126 0.000 0.650 166 V HN 0.891 nan 8.190 nan 0.000 0.450 167 G N -0.311 108.366 108.800 -0.205 0.000 2.513 167 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 167 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 167 G C 1.394 176.110 174.900 -0.307 0.000 1.160 167 G CA 1.307 46.232 45.100 -0.293 0.000 0.767 167 G HN 0.494 nan 8.290 nan 0.000 0.571 168 F N 1.609 121.479 119.950 -0.134 0.000 2.216 168 F HA -0.046 4.481 4.527 -0.000 0.000 0.300 168 F C 3.116 178.857 175.800 -0.099 0.000 1.085 168 F CA 1.542 59.483 58.000 -0.099 0.000 1.326 168 F CB -0.938 38.013 39.000 -0.083 0.000 1.027 168 F HN 0.231 nan 8.300 nan 0.000 0.497 169 T N -2.317 112.204 114.554 -0.054 0.000 3.098 169 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 169 T C 1.628 176.308 174.700 -0.034 0.000 1.145 169 T CA 0.791 62.832 62.100 -0.098 0.000 1.092 169 T CB -0.408 68.317 68.868 -0.238 0.000 0.908 169 T HN 0.277 nan 8.240 nan 0.000 0.526 170 K N 1.363 121.745 120.400 -0.030 0.000 2.366 170 K HA 0.064 4.384 4.320 -0.000 0.000 0.198 170 K C 1.082 177.681 176.600 -0.001 0.000 1.044 170 K CA 0.886 57.156 56.287 -0.028 0.000 0.973 170 K CB 0.139 32.609 32.500 -0.051 0.000 0.767 170 K HN 0.638 nan 8.250 nan 0.000 0.475 171 T N -2.631 111.939 114.554 0.026 0.000 2.908 171 T HA 0.278 4.628 4.350 -0.000 0.000 0.290 171 T C -2.427 172.315 174.700 0.070 0.000 1.034 171 T CA -2.282 59.841 62.100 0.039 0.000 1.010 171 T CB 2.059 70.948 68.868 0.036 0.000 1.068 171 T HN -0.311 nan 8.240 nan 0.000 0.481 172 P HA -0.055 nan 4.420 nan 0.000 0.215 172 P C 1.669 179.053 177.300 0.140 0.000 1.157 172 P CA 1.701 64.855 63.100 0.090 0.000 0.874 172 P CB -0.262 31.471 31.700 0.054 0.000 0.790 173 A N -0.216 122.668 122.820 0.107 0.000 1.898 173 A HA -0.057 4.262 4.320 -0.000 0.000 0.216 173 A C 2.530 180.256 177.584 0.237 0.000 1.181 173 A CA 2.032 54.148 52.037 0.133 0.000 0.620 173 A CB -1.894 17.141 19.000 0.058 0.000 0.819 173 A HN 0.276 nan 8.150 nan 0.000 0.442 174 G N -0.661 108.263 108.800 0.206 0.000 2.442 174 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 174 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 174 G C 1.749 176.859 174.900 0.350 0.000 1.141 174 G CA 1.162 46.446 45.100 0.306 0.000 0.763 174 G HN 0.561 nan 8.290 nan 0.000 0.554 175 R N -0.803 119.845 120.500 0.246 0.000 2.073 175 R HA 0.036 4.375 4.340 -0.000 0.000 0.229 175 R C 2.230 178.681 176.300 0.252 0.000 1.120 175 R CA 1.130 57.353 56.100 0.204 0.000 0.967 175 R CB -0.478 29.899 30.300 0.128 0.000 0.862 175 R HN 0.337 nan 8.270 nan 0.000 0.436 176 F N 0.227 120.265 119.950 0.146 0.000 2.126 176 F HA -0.271 4.255 4.527 -0.001 0.000 0.299 176 F C 2.004 177.902 175.800 0.164 0.000 1.096 176 F CA 1.861 59.937 58.000 0.126 0.000 1.255 176 F CB -0.476 38.572 39.000 0.080 0.000 0.997 176 F HN 0.154 nan 8.300 nan 0.000 0.479 177 Y N -0.164 120.294 120.300 0.265 0.000 2.224 177 Y HA -0.264 4.285 4.550 -0.000 0.000 0.289 177 Y C 2.855 178.865 175.900 0.183 0.000 1.146 177 Y CA 2.251 60.475 58.100 0.206 0.000 1.182 177 Y CB -1.152 37.398 38.460 0.151 0.000 0.983 177 Y HN 0.294 nan 8.280 nan 0.000 0.524 178 H N -0.032 118.962 119.070 -0.126 0.000 2.321 178 H HA -0.142 4.413 4.556 -0.000 0.000 0.300 178 H C 1.118 176.396 175.328 -0.084 0.000 1.087 178 H CA 2.057 57.946 56.048 -0.265 0.000 1.319 178 H CB -0.131 29.532 29.762 -0.165 0.000 1.379 178 H HN 0.409 nan 8.280 nan 0.000 0.501 179 D N -0.246 120.112 120.400 -0.070 0.000 2.224 179 D HA -0.123 4.516 4.640 -0.000 0.000 0.205 179 D C 1.964 178.109 176.300 -0.258 0.000 0.965 179 D CA 0.496 54.409 54.000 -0.145 0.000 0.852 179 D CB -0.571 40.178 40.800 -0.085 0.000 0.947 179 D HN 0.441 nan 8.370 nan 0.000 0.494 180 Y N -0.023 119.996 120.300 -0.468 0.000 2.224 180 Y HA -0.248 4.302 4.550 -0.000 0.000 0.289 180 Y C 1.627 177.175 175.900 -0.587 0.000 1.146 180 Y CA 1.584 59.346 58.100 -0.563 0.000 1.182 180 Y CB -0.229 37.851 38.460 -0.633 0.000 0.983 180 Y HN -0.023 nan 8.280 nan 0.000 0.524 181 Y N -0.070 120.063 120.300 -0.280 0.000 2.503 181 Y HA 0.287 4.837 4.550 -0.000 0.000 0.278 181 Y C 1.402 177.093 175.900 -0.348 0.000 1.111 181 Y CA 0.387 58.276 58.100 -0.352 0.000 1.270 181 Y CB -0.018 38.189 38.460 -0.421 0.000 1.063 181 Y HN 0.155 nan 8.280 nan 0.000 0.548 182 G N 1.252 109.935 108.800 -0.196 0.000 2.755 182 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.686 182 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.686 182 G C 0.537 175.351 174.900 -0.143 0.000 1.427 182 G CA 0.002 44.978 45.100 -0.206 0.000 0.873 182 G HN 0.472 nan 8.290 nan 0.000 0.580 183 E N 0.287 120.436 120.200 -0.084 0.000 2.107 183 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 183 E C 1.911 178.574 176.600 0.106 0.000 0.982 183 E CA 1.087 57.553 56.400 0.110 0.000 0.809 183 E CB -0.136 29.656 29.700 0.153 0.000 0.756 183 E HN 0.380 nan 8.360 nan 0.000 0.459 184 N N 1.078 119.784 118.700 0.010 0.000 2.149 184 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 184 N C 1.848 177.339 175.510 -0.032 0.000 1.019 184 N CA 1.064 54.126 53.050 0.020 0.000 0.857 184 N CB -0.344 38.161 38.487 0.029 0.000 0.997 184 N HN 0.253 nan 8.380 nan 0.000 0.426 185 L N -0.053 121.041 121.223 -0.215 0.000 2.083 185 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 185 L C 1.584 178.244 176.870 -0.350 0.000 1.083 185 L CA 1.596 56.207 54.840 -0.383 0.000 0.752 185 L CB -0.610 41.018 42.059 -0.718 0.000 0.899 185 L HN -0.035 nan 8.230 nan 0.000 0.433 186 F N -0.309 119.658 119.950 0.029 0.000 2.234 186 F HA 0.045 4.572 4.527 -0.001 0.000 0.296 186 F C 2.555 178.470 175.800 0.192 0.000 1.089 186 F CA 0.967 59.046 58.000 0.132 0.000 1.343 186 F CB -0.703 38.373 39.000 0.127 0.000 1.040 186 F HN -0.060 nan 8.300 nan 0.000 0.498 187 R N -0.125 120.511 120.500 0.228 0.000 2.120 187 R HA -0.110 4.229 4.340 -0.000 0.000 0.234 187 R C 2.000 178.502 176.300 0.336 0.000 1.123 187 R CA 1.827 58.015 56.100 0.148 0.000 0.975 187 R CB -0.896 29.471 30.300 0.113 0.000 0.866 187 R HN 0.381 nan 8.270 nan 0.000 0.446 188 T N -2.187 112.514 114.554 0.245 0.000 3.107 188 T HA -0.019 4.331 4.350 -0.000 0.000 0.249 188 T C 0.432 175.295 174.700 0.272 0.000 1.096 188 T CA -0.036 62.218 62.100 0.256 0.000 1.012 188 T CB 0.128 69.131 68.868 0.225 0.000 0.977 188 T HN -0.111 nan 8.240 nan 0.000 0.527 189 D N 1.727 122.284 120.400 0.262 0.000 2.517 189 D HA 0.319 4.959 4.640 -0.000 0.000 0.220 189 D C -0.265 176.140 176.300 0.174 0.000 1.158 189 D CA -0.181 53.948 54.000 0.215 0.000 0.992 189 D CB -0.352 40.645 40.800 0.329 0.000 1.058 189 D HN 0.444 nan 8.370 nan 0.000 0.516 190 M N 0.929 120.559 119.600 0.050 0.000 2.598 190 M HA 0.525 5.004 4.480 -0.000 0.000 0.317 190 M C 1.083 177.286 176.300 -0.161 0.000 1.201 190 M CA -1.005 54.287 55.300 -0.012 0.000 0.971 190 M CB 2.022 34.555 32.600 -0.111 0.000 1.657 190 M HN 0.175 nan 8.290 nan 0.000 0.470 191 G N 0.485 109.260 108.800 -0.042 0.000 2.535 191 G HA2 0.444 4.403 3.960 -0.000 0.000 0.282 191 G HA3 0.444 4.403 3.960 -0.000 0.000 0.282 191 G C -0.506 174.435 174.900 0.067 0.000 1.350 191 G CA -0.791 44.281 45.100 -0.047 0.000 1.039 191 G HN 0.781 nan 8.290 nan 0.000 0.509 192 I N 0.381 120.999 120.570 0.081 0.000 2.872 192 I HA -0.006 4.164 4.170 -0.000 0.000 0.287 192 I C -0.303 175.913 176.117 0.165 0.000 1.197 192 I CA 0.475 61.861 61.300 0.144 0.000 1.390 192 I CB 0.190 38.232 38.000 0.071 0.000 1.400 192 I HN 0.193 nan 8.210 nan 0.000 0.544 193 E N 7.945 128.271 120.200 0.211 0.000 2.593 193 E HA 0.208 4.558 4.350 -0.000 0.000 0.232 193 E C 0.285 176.919 176.600 0.057 0.000 1.026 193 E CA -0.293 56.214 56.400 0.179 0.000 0.772 193 E CB 1.225 31.123 29.700 0.330 0.000 1.310 193 E HN 0.682 nan 8.360 nan 0.000 0.413 194 R N 0.326 120.851 120.500 0.042 0.000 2.089 194 R HA -0.101 4.239 4.340 -0.000 0.000 0.222 194 R C 2.298 178.578 176.300 -0.034 0.000 1.151 194 R CA 2.235 58.340 56.100 0.009 0.000 0.908 194 R CB -0.506 29.803 30.300 0.015 0.000 0.813 194 R HN 0.434 nan 8.270 nan 0.000 0.440 195 T N -0.824 113.715 114.554 -0.026 0.000 2.848 195 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 195 T C 1.757 176.404 174.700 -0.090 0.000 1.081 195 T CA 1.866 63.943 62.100 -0.039 0.000 1.125 195 T CB -0.363 68.495 68.868 -0.015 0.000 0.848 195 T HN 0.251 nan 8.240 nan 0.000 0.503 196 S N 1.167 116.766 115.700 -0.169 0.000 2.336 196 S HA 0.226 4.696 4.470 -0.000 0.000 0.216 196 S C 1.680 176.082 174.600 -0.331 0.000 1.032 196 S CA 0.631 58.614 58.200 -0.362 0.000 0.973 196 S CB -0.367 62.328 63.200 -0.842 0.000 0.888 196 S HN 0.352 nan 8.310 nan 0.000 0.455 197 L N 0.198 121.262 121.223 -0.266 0.000 2.766 197 L HA 0.475 4.815 4.340 -0.000 0.000 0.241 197 L C 1.006 177.896 176.870 0.033 0.000 1.080 197 L CA 1.245 55.989 54.840 -0.160 0.000 0.909 197 L CB 0.077 42.048 42.059 -0.147 0.000 1.277 197 L HN 0.626 nan 8.230 nan 0.000 0.510 198 G N -0.305 108.529 108.800 0.056 0.000 2.587 198 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.212 198 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.212 198 G C -0.627 174.308 174.900 0.057 0.000 1.327 198 G CA -0.162 44.999 45.100 0.101 0.000 0.898 198 G HN 0.575 nan 8.290 nan 0.000 0.551 199 S N -1.313 114.319 115.700 -0.112 0.000 2.547 199 S HA 0.590 5.060 4.470 -0.000 0.000 0.281 199 S C 0.921 175.067 174.600 -0.756 0.000 1.118 199 S CA 0.461 58.398 58.200 -0.438 0.000 0.947 199 S CB 1.708 64.789 63.200 -0.198 0.000 1.053 199 S HN 2.077 nan 8.310 nan 0.000 0.482 200 L N 4.791 125.270 121.223 -1.240 0.000 1.970 200 L HA 0.134 4.474 4.340 -0.000 0.000 0.212 200 L C 1.745 178.207 176.870 -0.680 0.000 1.071 200 L CA 1.992 56.333 54.840 -0.832 0.000 0.751 200 L CB -0.959 40.792 42.059 -0.515 0.000 0.889 200 L HN 0.807 nan 8.230 nan 0.000 0.432 201 L N -0.192 120.784 121.223 -0.411 0.000 2.353 201 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 201 L C 1.692 178.401 176.870 -0.270 0.000 1.133 201 L CA 1.411 56.085 54.840 -0.277 0.000 0.798 201 L CB -0.831 41.221 42.059 -0.013 0.000 0.922 201 L HN 0.362 nan 8.230 nan 0.000 0.445 202 D N -2.407 117.848 120.400 -0.242 0.000 2.392 202 D HA 0.047 4.687 4.640 -0.000 0.000 0.206 202 D C 0.294 176.694 176.300 0.167 0.000 1.046 202 D CA 0.140 54.175 54.000 0.059 0.000 0.865 202 D CB 0.160 40.975 40.800 0.026 0.000 0.969 202 D HN 0.303 nan 8.370 nan 0.000 0.509 203 H N 0.042 119.106 119.070 -0.011 0.000 2.839 203 H HA -0.126 4.430 4.556 -0.001 0.000 0.298 203 H C 0.180 175.475 175.328 -0.054 0.000 1.224 203 H CA 1.131 57.156 56.048 -0.038 0.000 1.144 203 H CB -2.503 27.214 29.762 -0.075 0.000 1.372 203 H HN 0.261 nan 8.280 nan 0.000 0.408 204 T N -3.437 111.135 114.554 0.029 0.000 2.938 204 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 204 T C 1.241 175.981 174.700 0.066 0.000 1.028 204 T CA 0.209 62.320 62.100 0.018 0.000 1.005 204 T CB 3.115 71.985 68.868 0.003 0.000 1.157 204 T HN 0.783 nan 8.240 nan 0.000 0.550 205 G N 0.953 109.769 108.800 0.026 0.000 2.596 205 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.295 205 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.295 205 G C 1.212 176.115 174.900 0.006 0.000 1.240 205 G CA 0.928 46.039 45.100 0.017 0.000 0.985 205 G HN 1.746 nan 8.290 nan 0.000 0.555 206 A N -1.308 121.488 122.820 -0.041 0.000 1.969 206 A HA 0.355 4.675 4.320 -0.000 0.000 0.218 206 A C 2.251 179.738 177.584 -0.162 0.000 1.169 206 A CA 2.249 54.202 52.037 -0.140 0.000 0.635 206 A CB -0.405 18.448 19.000 -0.245 0.000 0.810 206 A HN 0.767 nan 8.150 nan 0.000 0.445 207 F N 0.465 120.362 119.950 -0.088 0.000 2.126 207 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 207 F C 2.638 178.426 175.800 -0.020 0.000 1.096 207 F CA 1.295 59.255 58.000 -0.067 0.000 1.255 207 F CB -0.850 38.080 39.000 -0.117 0.000 0.997 207 F HN 0.289 nan 8.300 nan 0.000 0.479 208 G N -0.468 108.419 108.800 0.145 0.000 2.433 208 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 208 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 208 G C 1.519 176.440 174.900 0.035 0.000 1.186 208 G CA 0.856 45.991 45.100 0.059 0.000 0.779 208 G HN 0.335 nan 8.290 nan 0.000 0.543 209 E N 0.154 120.363 120.200 0.015 0.000 2.086 209 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 209 E C 2.717 179.361 176.600 0.073 0.000 1.012 209 E CA 1.377 57.784 56.400 0.011 0.000 0.812 209 E CB -0.238 29.442 29.700 -0.034 0.000 0.743 209 E HN 0.412 nan 8.360 nan 0.000 0.453 210 S N 0.328 116.077 115.700 0.081 0.000 2.359 210 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 210 S C 1.830 176.574 174.600 0.240 0.000 1.035 210 S CA 1.495 59.803 58.200 0.178 0.000 1.018 210 S CB -0.130 63.143 63.200 0.123 0.000 0.876 210 S HN 0.227 nan 8.310 nan 0.000 0.448 211 E N 0.519 120.836 120.200 0.194 0.000 2.110 211 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 211 E C 2.287 178.952 176.600 0.107 0.000 0.988 211 E CA 1.149 57.655 56.400 0.176 0.000 0.804 211 E CB -0.035 29.733 29.700 0.113 0.000 0.745 211 E HN 0.549 nan 8.360 nan 0.000 0.458 212 K N 0.084 120.538 120.400 0.090 0.000 2.057 212 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 212 K C 2.176 178.870 176.600 0.158 0.000 1.050 212 K CA 1.049 57.383 56.287 0.080 0.000 0.935 212 K CB -0.356 32.173 32.500 0.049 0.000 0.715 212 K HN 0.163 nan 8.250 nan 0.000 0.439 213 Y N 2.220 122.547 120.300 0.046 0.000 2.097 213 Y HA -0.235 4.314 4.550 -0.001 0.000 0.282 213 Y C 2.399 178.359 175.900 0.100 0.000 1.152 213 Y CA 1.118 59.255 58.100 0.062 0.000 1.136 213 Y CB -0.848 37.649 38.460 0.062 0.000 0.975 213 Y HN 0.063 nan 8.280 nan 0.000 0.498 214 A N 0.466 123.313 122.820 0.045 0.000 1.917 214 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 214 A C 2.494 180.124 177.584 0.077 0.000 1.182 214 A CA 2.507 54.513 52.037 -0.053 0.000 0.633 214 A CB -1.515 17.340 19.000 -0.242 0.000 0.819 214 A HN 0.623 nan 8.150 nan 0.000 0.448 215 A N -0.691 122.178 122.820 0.083 0.000 1.898 215 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 215 A C 2.229 179.863 177.584 0.082 0.000 1.181 215 A CA 1.423 53.525 52.037 0.107 0.000 0.620 215 A CB -0.456 18.594 19.000 0.083 0.000 0.819 215 A HN 0.528 nan 8.150 nan 0.000 0.442 216 R N -0.648 119.894 120.500 0.070 0.000 2.083 216 R HA -0.126 4.213 4.340 -0.000 0.000 0.237 216 R C 2.042 178.352 176.300 0.016 0.000 1.137 216 R CA 1.711 57.844 56.100 0.055 0.000 0.951 216 R CB -0.516 29.843 30.300 0.098 0.000 0.851 216 R HN 0.402 nan 8.270 nan 0.000 0.434 217 V N -0.235 119.661 119.914 -0.030 0.000 2.379 217 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 217 V C 1.538 177.566 176.094 -0.111 0.000 1.044 217 V CA 1.579 63.818 62.300 -0.102 0.000 1.036 217 V CB -0.344 31.308 31.823 -0.285 0.000 0.664 217 V HN 0.192 nan 8.190 nan 0.000 0.453 218 F N 0.634 120.527 119.950 -0.095 0.000 2.797 218 F HA 0.415 4.942 4.527 -0.000 0.000 0.302 218 F C 1.780 177.443 175.800 -0.228 0.000 1.130 218 F CA 0.560 58.433 58.000 -0.212 0.000 1.387 218 F CB -0.442 38.221 39.000 -0.563 0.000 1.107 218 F HN 0.270 nan 8.300 nan 0.000 0.577 219 G N 1.021 109.813 108.800 -0.014 0.000 2.273 219 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.280 219 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.280 219 G C 0.180 175.090 174.900 0.017 0.000 1.047 219 G CA 0.061 45.154 45.100 -0.012 0.000 0.869 219 G HN 0.665 nan 8.290 nan 0.000 0.502 220 A N -0.934 121.916 122.820 0.049 0.000 2.281 220 A HA 0.751 5.070 4.320 -0.000 0.000 0.329 220 A C 1.099 178.731 177.584 0.079 0.000 1.122 220 A CA 0.286 52.373 52.037 0.084 0.000 0.850 220 A CB 0.786 19.887 19.000 0.168 0.000 1.207 220 A HN 0.085 nan 8.150 nan 0.000 0.495 221 D N -0.382 120.067 120.400 0.082 0.000 2.123 221 D HA -0.002 4.637 4.640 -0.000 0.000 0.200 221 D C 0.731 177.063 176.300 0.053 0.000 0.976 221 D CA 1.378 55.427 54.000 0.082 0.000 0.831 221 D CB 0.243 41.103 40.800 0.100 0.000 0.974 221 D HN 0.542 nan 8.370 nan 0.000 0.469 222 R N -0.458 120.080 120.500 0.063 0.000 2.626 222 R HA 0.371 4.711 4.340 -0.000 0.000 0.274 222 R C -1.665 174.685 176.300 0.083 0.000 1.031 222 R CA -0.432 55.676 56.100 0.013 0.000 0.898 222 R CB 1.742 32.028 30.300 -0.023 0.000 1.222 222 R HN -0.220 nan 8.270 nan 0.000 0.455 223 S N 2.301 118.002 115.700 0.001 0.000 2.526 223 S HA 0.544 5.014 4.470 -0.000 0.000 0.293 223 S C -1.670 172.954 174.600 0.040 0.000 1.092 223 S CA -0.628 57.634 58.200 0.102 0.000 0.980 223 S CB 0.911 64.158 63.200 0.078 0.000 1.048 223 S HN 0.467 nan 8.310 nan 0.000 0.483 224 W N 1.457 122.878 121.300 0.202 0.000 2.471 224 W HA 0.578 5.238 4.660 -0.000 0.000 0.318 224 W C 0.467 177.192 176.519 0.343 0.000 1.034 224 W CA -0.622 56.911 57.345 0.313 0.000 1.224 224 W CB 1.258 30.957 29.460 0.398 0.000 1.335 224 W HN 0.558 nan 8.180 nan 0.000 0.452 225 S N 2.454 118.439 115.700 0.475 0.000 2.528 225 S HA 0.602 5.071 4.470 -0.000 0.000 0.277 225 S C -0.661 174.109 174.600 0.282 0.000 1.297 225 S CA -0.243 58.030 58.200 0.122 0.000 1.052 225 S CB 0.226 63.507 63.200 0.135 0.000 0.917 225 S HN 0.290 nan 8.310 nan 0.000 0.492 226 V N 5.588 125.539 119.914 0.061 0.000 2.735 226 V HA 0.397 4.516 4.120 -0.000 0.000 0.310 226 V C 0.561 176.669 176.094 0.024 0.000 1.061 226 V CA -0.628 61.728 62.300 0.094 0.000 0.913 226 V CB 2.068 33.905 31.823 0.023 0.000 1.005 226 V HN 0.872 nan 8.190 nan 0.000 0.428 227 V N 1.949 121.888 119.914 0.041 0.000 3.319 227 V HA 0.294 4.414 4.120 -0.000 0.000 0.317 227 V C 0.266 176.363 176.094 0.004 0.000 1.411 227 V CA 0.097 62.418 62.300 0.036 0.000 1.112 227 V CB 0.699 32.569 31.823 0.079 0.000 1.031 227 V HN 0.531 nan 8.190 nan 0.000 0.448 228 V N 1.370 121.272 119.914 -0.020 0.000 3.070 228 V HA 0.751 4.871 4.120 -0.000 0.000 0.345 228 V C 1.282 177.363 176.094 -0.021 0.000 1.403 228 V CA 0.240 62.522 62.300 -0.030 0.000 1.155 228 V CB -0.643 31.148 31.823 -0.053 0.000 1.140 228 V HN 0.972 nan 8.190 nan 0.000 0.505 229 G N 1.204 110.006 108.800 0.003 0.000 2.796 229 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 229 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 229 G C 0.554 175.456 174.900 0.003 0.000 1.381 229 G CA 0.078 45.206 45.100 0.046 0.000 0.867 229 G HN 0.239 nan 8.290 nan 0.000 0.552 230 T N 0.715 115.266 114.554 -0.005 0.000 2.995 230 T HA 0.037 4.387 4.350 -0.000 0.000 0.269 230 T C 2.731 177.406 174.700 -0.041 0.000 1.091 230 T CA 1.827 63.906 62.100 -0.035 0.000 1.128 230 T CB -0.278 68.552 68.868 -0.063 0.000 0.891 230 T HN 0.642 nan 8.240 nan 0.000 0.492 231 S N 1.317 117.002 115.700 -0.025 0.000 2.369 231 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 231 S C 2.443 176.990 174.600 -0.089 0.000 1.043 231 S CA 1.534 59.734 58.200 0.000 0.000 1.074 231 S CB -0.945 62.280 63.200 0.042 0.000 0.962 231 S HN 0.660 nan 8.310 nan 0.000 0.433 232 G N 0.699 109.437 108.800 -0.104 0.000 2.408 232 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 232 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 232 G C 1.584 176.340 174.900 -0.240 0.000 1.150 232 G CA 1.058 46.049 45.100 -0.181 0.000 0.776 232 G HN 0.506 nan 8.290 nan 0.000 0.542 233 S N 1.285 116.891 115.700 -0.156 0.000 2.359 233 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 233 S C 2.375 176.860 174.600 -0.191 0.000 1.039 233 S CA 1.451 59.569 58.200 -0.137 0.000 1.042 233 S CB -0.328 62.846 63.200 -0.043 0.000 0.915 233 S HN 0.395 nan 8.310 nan 0.000 0.439 234 N N 1.044 119.668 118.700 -0.127 0.000 2.120 234 N HA -0.017 4.722 4.740 -0.000 0.000 0.188 234 N C 1.752 177.102 175.510 -0.267 0.000 1.024 234 N CA 0.892 53.879 53.050 -0.105 0.000 0.852 234 N CB -0.337 38.184 38.487 0.057 0.000 1.003 234 N HN 0.351 nan 8.380 nan 0.000 0.424 235 R N 0.045 120.322 120.500 -0.372 0.000 2.105 235 R HA -0.051 4.289 4.340 -0.000 0.000 0.239 235 R C 1.969 177.821 176.300 -0.746 0.000 1.135 235 R CA 1.529 57.235 56.100 -0.657 0.000 0.967 235 R CB -0.436 29.249 30.300 -1.025 0.000 0.861 235 R HN 0.257 nan 8.270 nan 0.000 0.442 236 T N 1.293 115.482 114.554 -0.608 0.000 2.639 236 T HA -0.096 4.254 4.350 -0.000 0.000 0.261 236 T C 1.922 176.275 174.700 -0.578 0.000 1.053 236 T CA 1.354 63.141 62.100 -0.521 0.000 1.158 236 T CB -0.215 68.343 68.868 -0.516 0.000 0.863 236 T HN 0.130 nan 8.240 nan 0.000 0.413 237 I N 0.930 121.188 120.570 -0.519 0.000 2.151 237 I HA -0.262 3.907 4.170 -0.000 0.000 0.243 237 I C 2.564 178.350 176.117 -0.551 0.000 1.080 237 I CA 1.622 62.578 61.300 -0.574 0.000 1.339 237 I CB -0.438 37.087 38.000 -0.792 0.000 1.039 237 I HN 0.269 nan 8.210 nan 0.000 0.409 238 M N -0.660 118.620 119.600 -0.534 0.000 2.254 238 M HA -0.164 4.316 4.480 -0.000 0.000 0.265 238 M C 2.334 178.399 176.300 -0.391 0.000 1.066 238 M CA 1.257 56.215 55.300 -0.570 0.000 1.123 238 M CB -0.339 31.956 32.600 -0.508 0.000 1.388 238 M HN 0.210 nan 8.290 nan 0.000 0.425 239 Q N 0.304 119.909 119.800 -0.326 0.000 2.084 239 Q HA -0.089 4.250 4.340 -0.000 0.000 0.202 239 Q C 2.175 178.036 176.000 -0.232 0.000 0.978 239 Q CA 1.915 57.588 55.803 -0.216 0.000 0.844 239 Q CB -0.421 28.250 28.738 -0.112 0.000 0.898 239 Q HN 0.571 nan 8.270 nan 0.000 0.426 240 A N -1.035 121.601 122.820 -0.307 0.000 2.119 240 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 240 A C 2.187 179.711 177.584 -0.100 0.000 1.153 240 A CA 0.939 52.842 52.037 -0.223 0.000 0.692 240 A CB -0.227 18.599 19.000 -0.289 0.000 0.799 240 A HN 0.426 nan 8.150 nan 0.000 0.458 241 C N -0.980 118.226 119.300 -0.156 0.000 3.019 241 C HA 0.516 4.976 4.460 -0.000 0.000 0.295 241 C C 0.687 175.638 174.990 -0.064 0.000 1.256 241 C CA 0.399 59.374 59.018 -0.072 0.000 1.706 241 C CB -0.927 26.758 27.740 -0.092 0.000 2.153 241 C HN 0.723 nan 8.230 nan 0.000 0.618 242 M N 0.071 119.598 119.600 -0.122 0.000 2.520 242 M HA 0.553 5.033 4.480 -0.000 0.000 0.280 242 M C -0.753 175.497 176.300 -0.084 0.000 1.232 242 M CA -0.109 55.139 55.300 -0.088 0.000 0.892 242 M CB 1.792 34.321 32.600 -0.119 0.000 1.728 242 M HN 0.097 nan 8.290 nan 0.000 0.475 243 T N -2.881 111.641 114.554 -0.054 0.000 2.883 243 T HA 0.435 4.785 4.350 -0.000 0.000 0.284 243 T C 0.375 175.052 174.700 -0.039 0.000 1.041 243 T CA -0.032 62.039 62.100 -0.048 0.000 1.007 243 T CB 1.238 70.085 68.868 -0.035 0.000 1.220 243 T HN 0.793 nan 8.240 nan 0.000 0.552 244 D N -0.118 120.263 120.400 -0.032 0.000 2.378 244 D HA -0.029 4.611 4.640 -0.000 0.000 0.227 244 D C 0.953 177.242 176.300 -0.018 0.000 1.012 244 D CA 0.278 54.264 54.000 -0.024 0.000 0.905 244 D CB -0.472 40.317 40.800 -0.018 0.000 0.895 244 D HN 0.389 nan 8.370 nan 0.000 0.532 245 N N 0.225 118.914 118.700 -0.017 0.000 2.373 245 N HA -0.001 4.739 4.740 -0.000 0.000 0.181 245 N C -0.286 175.218 175.510 -0.010 0.000 1.082 245 N CA 0.148 53.191 53.050 -0.012 0.000 0.885 245 N CB 0.337 38.818 38.487 -0.010 0.000 0.977 245 N HN 0.239 nan 8.380 nan 0.000 0.462 246 D N 0.122 120.515 120.400 -0.013 0.000 2.225 246 D HA 0.178 4.818 4.640 -0.000 0.000 0.249 246 D C -0.080 176.214 176.300 -0.010 0.000 1.052 246 D CA -0.249 53.746 54.000 -0.007 0.000 0.909 246 D CB 2.519 43.316 40.800 -0.004 0.000 1.186 246 D HN -0.273 nan 8.370 nan 0.000 0.431 247 V N 1.881 121.792 119.914 -0.005 0.000 2.509 247 V HA 0.344 4.464 4.120 -0.000 0.000 0.284 247 V C 0.389 176.485 176.094 0.003 0.000 1.047 247 V CA -0.522 61.769 62.300 -0.014 0.000 0.952 247 V CB 1.517 33.329 31.823 -0.019 0.000 0.988 247 V HN 0.381 nan 8.190 nan 0.000 0.469 248 V N 2.915 122.823 119.914 -0.009 0.000 2.876 248 V HA 0.757 4.876 4.120 -0.000 0.000 0.312 248 V C -0.651 175.423 176.094 -0.033 0.000 1.085 248 V CA -0.811 61.512 62.300 0.038 0.000 0.945 248 V CB 2.020 33.920 31.823 0.129 0.000 1.017 248 V HN 0.445 nan 8.190 nan 0.000 0.428 249 V N 3.737 123.636 119.914 -0.024 0.000 2.347 249 V HA 0.560 4.680 4.120 -0.000 0.000 0.280 249 V C -0.128 175.927 176.094 -0.065 0.000 1.021 249 V CA -0.381 61.873 62.300 -0.077 0.000 0.847 249 V CB 1.243 33.021 31.823 -0.074 0.000 0.990 249 V HN 0.761 nan 8.190 nan 0.000 0.444 250 V N 3.643 123.523 119.914 -0.056 0.000 2.444 250 V HA 0.326 4.446 4.120 -0.000 0.000 0.294 250 V C -0.047 176.138 176.094 0.153 0.000 1.022 250 V CA -0.714 61.624 62.300 0.063 0.000 0.850 250 V CB 1.892 33.793 31.823 0.131 0.000 0.992 250 V HN 0.892 nan 8.190 nan 0.000 0.426 251 D N 3.409 123.865 120.400 0.094 0.000 2.520 251 D HA -0.034 4.605 4.640 -0.000 0.000 0.243 251 D C 1.247 177.646 176.300 0.166 0.000 1.160 251 D CA 0.171 54.235 54.000 0.106 0.000 0.877 251 D CB 0.868 41.694 40.800 0.043 0.000 1.150 251 D HN 0.452 nan 8.370 nan 0.000 0.494 252 R N 3.130 123.727 120.500 0.162 0.000 2.159 252 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 252 R C 0.360 176.702 176.300 0.069 0.000 1.131 252 R CA 0.659 56.807 56.100 0.079 0.000 0.982 252 R CB -0.366 29.958 30.300 0.040 0.000 0.868 252 R HN 0.286 nan 8.270 nan 0.000 0.453 253 N N 0.415 119.176 118.700 0.101 0.000 2.807 253 N HA 0.047 4.786 4.740 -0.000 0.000 0.259 253 N C -1.399 174.187 175.510 0.126 0.000 1.149 253 N CA -0.255 52.860 53.050 0.110 0.000 1.042 253 N CB -0.246 38.316 38.487 0.126 0.000 1.367 253 N HN 0.307 nan 8.380 nan 0.000 0.516 254 C N 1.427 120.800 119.300 0.122 0.000 2.634 254 C HA 0.519 4.979 4.460 -0.000 0.000 0.313 254 C C 0.512 175.605 174.990 0.172 0.000 1.198 254 C CA -1.344 57.763 59.018 0.149 0.000 1.605 254 C CB 0.879 28.705 27.740 0.142 0.000 2.196 254 C HN 0.610 nan 8.230 nan 0.000 0.486 255 H N 1.762 120.902 119.070 0.117 0.000 2.771 255 H HA 0.106 4.662 4.556 -0.000 0.000 0.364 255 H C 1.018 176.401 175.328 0.093 0.000 1.133 255 H CA 0.864 56.985 56.048 0.123 0.000 1.423 255 H CB 0.873 30.713 29.762 0.129 0.000 1.425 255 H HN 0.793 nan 8.280 nan 0.000 0.606 256 K N 1.237 121.342 120.400 -0.492 0.000 2.173 256 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 256 K C 2.065 178.613 176.600 -0.087 0.000 1.046 256 K CA 1.921 58.041 56.287 -0.278 0.000 0.929 256 K CB -0.003 32.291 32.500 -0.343 0.000 0.720 256 K HN 0.584 nan 8.250 nan 0.000 0.453 257 S N 0.470 116.213 115.700 0.072 0.000 2.461 257 S HA -0.026 4.444 4.470 -0.000 0.000 0.228 257 S C 1.883 176.531 174.600 0.081 0.000 1.005 257 S CA 0.364 58.641 58.200 0.128 0.000 0.942 257 S CB -0.151 63.197 63.200 0.246 0.000 0.776 257 S HN 0.059 nan 8.310 nan 0.000 0.514 258 I N 2.525 123.173 120.570 0.130 0.000 2.202 258 I HA -0.072 4.098 4.170 -0.000 0.000 0.242 258 I C 2.784 178.938 176.117 0.062 0.000 1.091 258 I CA 1.323 62.691 61.300 0.114 0.000 1.368 258 I CB -1.461 36.640 38.000 0.169 0.000 1.058 258 I HN 0.479 nan 8.210 nan 0.000 0.410 259 E N 0.745 120.974 120.200 0.049 0.000 2.110 259 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 259 E C 2.141 178.731 176.600 -0.017 0.000 0.988 259 E CA 1.213 57.630 56.400 0.028 0.000 0.804 259 E CB 0.112 29.821 29.700 0.015 0.000 0.745 259 E HN 0.545 nan 8.360 nan 0.000 0.458 260 Q N -0.509 119.266 119.800 -0.041 0.000 2.050 260 Q HA -0.130 4.209 4.340 -0.000 0.000 0.202 260 Q C 2.234 178.169 176.000 -0.108 0.000 0.980 260 Q CA 1.419 57.170 55.803 -0.088 0.000 0.840 260 Q CB -0.344 28.342 28.738 -0.087 0.000 0.898 260 Q HN 0.388 nan 8.270 nan 0.000 0.424 261 G N 1.088 109.821 108.800 -0.112 0.000 2.476 261 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 261 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 261 G C 1.381 176.210 174.900 -0.118 0.000 1.164 261 G CA 0.944 45.953 45.100 -0.151 0.000 0.768 261 G HN 0.194 nan 8.290 nan 0.000 0.560 262 L N -0.300 120.882 121.223 -0.069 0.000 1.990 262 L HA -0.155 4.185 4.340 -0.000 0.000 0.213 262 L C 3.147 179.991 176.870 -0.044 0.000 1.072 262 L CA 1.592 56.408 54.840 -0.040 0.000 0.755 262 L CB -0.460 41.609 42.059 0.016 0.000 0.889 262 L HN 0.241 nan 8.230 nan 0.000 0.432 263 M N -0.749 118.818 119.600 -0.054 0.000 2.202 263 M HA -0.216 4.263 4.480 -0.000 0.000 0.262 263 M C 2.178 178.419 176.300 -0.100 0.000 1.063 263 M CA 1.663 56.919 55.300 -0.074 0.000 1.097 263 M CB -0.230 32.284 32.600 -0.144 0.000 1.382 263 M HN 0.276 nan 8.290 nan 0.000 0.413 264 L N -0.971 120.188 121.223 -0.108 0.000 2.249 264 L HA -0.059 4.280 4.340 -0.000 0.000 0.207 264 L C 2.684 179.513 176.870 -0.069 0.000 1.090 264 L CA 1.262 56.047 54.840 -0.091 0.000 0.802 264 L CB -0.543 41.476 42.059 -0.067 0.000 0.947 264 L HN 0.416 nan 8.230 nan 0.000 0.453 265 T N -4.215 110.292 114.554 -0.079 0.000 2.976 265 T HA 0.132 4.482 4.350 -0.000 0.000 0.257 265 T C 1.571 176.239 174.700 -0.053 0.000 1.051 265 T CA 0.739 62.793 62.100 -0.077 0.000 1.141 265 T CB 0.368 69.170 68.868 -0.109 0.000 0.881 265 T HN 0.374 nan 8.240 nan 0.000 0.461 266 G N 1.623 110.398 108.800 -0.042 0.000 2.157 266 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.248 266 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.248 266 G C 0.377 175.263 174.900 -0.023 0.000 0.979 266 G CA 0.086 45.173 45.100 -0.021 0.000 0.650 266 G HN 1.175 nan 8.290 nan 0.000 0.529 267 A N -0.166 122.631 122.820 -0.038 0.000 2.475 267 A HA 0.516 4.836 4.320 -0.000 0.000 0.239 267 A C 0.663 178.229 177.584 -0.029 0.000 1.087 267 A CA 0.509 52.524 52.037 -0.037 0.000 0.779 267 A CB 0.322 19.291 19.000 -0.052 0.000 1.036 267 A HN 0.293 nan 8.150 nan 0.000 0.506 268 K N 1.909 122.289 120.400 -0.033 0.000 2.292 268 K HA 0.386 4.706 4.320 -0.000 0.000 0.270 268 K C -2.896 173.653 176.600 -0.084 0.000 1.062 268 K CA -1.816 54.445 56.287 -0.044 0.000 0.916 268 K CB 1.305 33.785 32.500 -0.034 0.000 1.166 268 K HN 0.419 nan 8.250 nan 0.000 0.458 269 P HA 0.292 nan 4.420 nan 0.000 0.294 269 P C -0.446 176.564 177.300 -0.484 0.000 1.294 269 P CA -0.638 62.273 63.100 -0.315 0.000 0.827 269 P CB 1.472 32.976 31.700 -0.326 0.000 0.992 270 V N 4.693 124.295 119.914 -0.519 0.000 2.680 270 V HA 0.422 4.542 4.120 -0.000 0.000 0.309 270 V C -0.923 174.830 176.094 -0.569 0.000 1.052 270 V CA -0.546 61.475 62.300 -0.465 0.000 0.908 270 V CB 1.551 33.262 31.823 -0.187 0.000 1.001 270 V HN 0.369 nan 8.190 nan 0.000 0.431 271 Y N 3.782 124.085 120.300 0.005 0.000 2.341 271 Y HA 0.575 5.125 4.550 -0.000 0.000 0.338 271 Y C 0.293 176.199 175.900 0.009 0.000 0.965 271 Y CA -0.801 57.303 58.100 0.007 0.000 1.108 271 Y CB 1.630 40.091 38.460 0.001 0.000 1.180 271 Y HN 0.448 nan 8.280 nan 0.000 0.458 272 M N 3.963 123.660 119.600 0.162 0.000 2.143 272 M HA 0.272 4.751 4.480 -0.000 0.000 0.348 272 M C -0.782 175.589 176.300 0.119 0.000 1.375 272 M CA -0.397 54.971 55.300 0.115 0.000 1.124 272 M CB 0.396 33.052 32.600 0.093 0.000 1.669 272 M HN 0.340 nan 8.290 nan 0.000 0.469 273 V N 7.149 127.114 119.914 0.084 0.000 2.432 273 V HA 0.272 4.392 4.120 -0.000 0.000 0.271 273 V C -1.766 174.342 176.094 0.023 0.000 1.046 273 V CA -1.328 61.003 62.300 0.053 0.000 0.945 273 V CB 0.358 32.197 31.823 0.026 0.000 0.992 273 V HN 0.651 nan 8.190 nan 0.000 0.471 274 P HA 0.250 nan 4.420 nan 0.000 0.276 274 P C -0.156 177.070 177.300 -0.123 0.000 1.244 274 P CA -0.318 62.770 63.100 -0.020 0.000 0.801 274 P CB 1.045 32.760 31.700 0.026 0.000 1.006 275 S N 1.582 117.130 115.700 -0.252 0.000 2.617 275 S HA 0.488 4.958 4.470 -0.000 0.000 0.259 275 S C 0.408 174.968 174.600 -0.067 0.000 1.301 275 S CA -0.545 57.508 58.200 -0.245 0.000 0.984 275 S CB 0.475 63.456 63.200 -0.366 0.000 0.954 275 S HN 0.727 nan 8.310 nan 0.000 0.572 276 R N -0.231 120.312 120.500 0.071 0.000 2.781 276 R HA 0.536 4.876 4.340 -0.000 0.000 0.269 276 R C -1.572 174.900 176.300 0.287 0.000 1.025 276 R CA -0.919 55.300 56.100 0.198 0.000 0.914 276 R CB 0.730 31.037 30.300 0.012 0.000 1.236 276 R HN 0.760 nan 8.270 nan 0.000 0.465 277 N N -0.631 118.193 118.700 0.207 0.000 2.592 277 N HA 0.250 4.989 4.740 -0.000 0.000 0.292 277 N C 0.516 175.935 175.510 -0.151 0.000 1.260 277 N CA -1.088 51.924 53.050 -0.062 0.000 0.910 277 N CB 0.795 39.062 38.487 -0.368 0.000 1.257 277 N HN 0.748 nan 8.380 nan 0.000 0.569 278 R N -1.411 118.909 120.500 -0.300 0.000 2.249 278 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 278 R C 0.215 176.291 176.300 -0.375 0.000 1.121 278 R CA 1.264 57.146 56.100 -0.364 0.000 0.997 278 R CB -0.771 29.235 30.300 -0.490 0.000 0.867 278 R HN 0.543 nan 8.270 nan 0.000 0.465 279 Y N 0.581 120.809 120.300 -0.121 0.000 2.511 279 Y HA 0.273 4.823 4.550 -0.001 0.000 0.279 279 Y C 1.757 177.582 175.900 -0.125 0.000 1.157 279 Y CA 0.305 58.335 58.100 -0.117 0.000 1.300 279 Y CB 0.330 38.634 38.460 -0.261 0.000 1.052 279 Y HN 0.392 nan 8.280 nan 0.000 0.529 280 G N 0.547 109.330 108.800 -0.028 0.000 2.141 280 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.242 280 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.242 280 G C 0.093 174.941 174.900 -0.087 0.000 0.982 280 G CA -0.002 45.047 45.100 -0.086 0.000 0.662 280 G HN 0.290 nan 8.290 nan 0.000 0.527 281 I N 1.903 122.447 120.570 -0.043 0.000 2.441 281 I HA 0.260 4.429 4.170 -0.000 0.000 0.287 281 I C 0.872 177.054 176.117 0.109 0.000 1.049 281 I CA -0.871 60.421 61.300 -0.013 0.000 1.381 281 I CB 0.751 38.679 38.000 -0.120 0.000 1.409 281 I HN -0.085 nan 8.210 nan 0.000 0.523 282 I N 5.504 126.106 120.570 0.052 0.000 2.471 282 I HA 0.186 4.355 4.170 -0.000 0.000 0.286 282 I C 0.976 177.095 176.117 0.005 0.000 1.079 282 I CA 0.455 61.767 61.300 0.020 0.000 1.398 282 I CB 0.440 38.423 38.000 -0.027 0.000 1.403 282 I HN 0.671 nan 8.210 nan 0.000 0.530 283 G N 8.335 117.016 108.800 -0.197 0.000 2.583 283 G HA2 0.609 4.569 3.960 -0.000 0.000 0.280 283 G HA3 0.609 4.569 3.960 -0.000 0.000 0.280 283 G C -2.686 171.931 174.900 -0.472 0.000 1.376 283 G CA -0.858 43.742 45.100 -0.834 0.000 1.043 283 G HN 0.413 nan 8.290 nan 0.000 0.538 284 P HA 0.291 nan 4.420 nan 0.000 0.276 284 P C -0.205 177.128 177.300 0.056 0.000 1.244 284 P CA -0.369 62.500 63.100 -0.385 0.000 0.801 284 P CB 1.236 32.548 31.700 -0.646 0.000 1.006 285 I N 1.840 122.633 120.570 0.371 0.000 2.668 285 I HA -0.046 4.124 4.170 -0.000 0.000 0.285 285 I C 0.844 177.369 176.117 0.680 0.000 1.168 285 I CA 0.138 61.683 61.300 0.409 0.000 1.424 285 I CB -0.380 37.886 38.000 0.443 0.000 1.377 285 I HN 0.245 nan 8.210 nan 0.000 0.560 286 Y N 8.034 128.466 120.300 0.221 0.000 2.326 286 Y HA 0.160 4.709 4.550 -0.000 0.000 0.333 286 Y C -1.193 174.603 175.900 -0.173 0.000 1.240 286 Y CA -2.616 55.473 58.100 -0.018 0.000 1.365 286 Y CB -0.232 38.164 38.460 -0.106 0.000 1.289 286 Y HN 0.446 nan 8.280 nan 0.000 0.548 287 P HA -0.216 nan 4.420 nan 0.000 0.217 287 P C 1.046 178.233 177.300 -0.188 0.000 1.148 287 P CA 1.849 64.582 63.100 -0.612 0.000 0.834 287 P CB 0.371 31.538 31.700 -0.887 0.000 0.783 288 Q N -0.555 119.186 119.800 -0.100 0.000 2.084 288 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 288 Q C 2.048 178.056 176.000 0.013 0.000 0.978 288 Q CA 1.220 57.006 55.803 -0.028 0.000 0.844 288 Q CB -0.868 27.877 28.738 0.011 0.000 0.898 288 Q HN 0.280 nan 8.270 nan 0.000 0.426 289 E N -0.425 119.806 120.200 0.051 0.000 2.401 289 E HA -0.090 4.259 4.350 -0.000 0.000 0.199 289 E C 1.209 177.848 176.600 0.066 0.000 1.023 289 E CA 0.839 57.277 56.400 0.062 0.000 0.859 289 E CB 0.062 29.814 29.700 0.088 0.000 0.780 289 E HN 0.508 nan 8.360 nan 0.000 0.523 290 M N -0.105 119.537 119.600 0.069 0.000 2.337 290 M HA 0.059 4.539 4.480 -0.000 0.000 0.256 290 M C 0.214 176.538 176.300 0.040 0.000 1.075 290 M CA -0.051 55.294 55.300 0.075 0.000 1.024 290 M CB 0.690 33.382 32.600 0.154 0.000 1.429 290 M HN -0.259 nan 8.290 nan 0.000 0.497 291 Q N 2.031 121.841 119.800 0.017 0.000 2.330 291 Q HA 0.048 4.388 4.340 -0.000 0.000 0.279 291 Q C -1.566 174.439 176.000 0.008 0.000 1.024 291 Q CA -0.914 54.892 55.803 0.005 0.000 0.900 291 Q CB 0.383 29.117 28.738 -0.008 0.000 1.221 291 Q HN 0.088 nan 8.270 nan 0.000 0.396 292 P HA -0.207 nan 4.420 nan 0.000 0.218 292 P C 0.767 178.068 177.300 0.002 0.000 1.148 292 P CA 1.437 64.540 63.100 0.005 0.000 0.822 292 P CB 0.329 32.032 31.700 0.005 0.000 0.784 293 E N -0.375 119.826 120.200 0.001 0.000 2.152 293 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 293 E C 1.640 178.241 176.600 0.001 0.000 0.983 293 E CA 1.271 57.671 56.400 0.001 0.000 0.818 293 E CB -1.742 27.958 29.700 -0.000 0.000 0.758 293 E HN 0.194 nan 8.360 nan 0.000 0.467 294 T N 2.523 117.079 114.554 0.003 0.000 2.737 294 T HA -0.020 4.330 4.350 -0.000 0.000 0.265 294 T C 2.180 176.883 174.700 0.005 0.000 1.038 294 T CA 1.034 63.138 62.100 0.006 0.000 1.144 294 T CB -0.238 68.637 68.868 0.011 0.000 0.866 294 T HN 0.070 nan 8.240 nan 0.000 0.434 295 L N 0.819 122.044 121.223 0.003 0.000 1.994 295 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 295 L C 3.105 179.970 176.870 -0.007 0.000 1.071 295 L CA 1.214 56.051 54.840 -0.003 0.000 0.745 295 L CB -0.722 41.333 42.059 -0.006 0.000 0.892 295 L HN 0.201 nan 8.230 nan 0.000 0.431 296 Q N 0.386 120.184 119.800 -0.005 0.000 2.096 296 Q HA -0.307 4.033 4.340 -0.000 0.000 0.208 296 Q C 2.179 178.176 176.000 -0.005 0.000 0.993 296 Q CA 2.059 57.859 55.803 -0.005 0.000 0.862 296 Q CB -0.316 28.420 28.738 -0.002 0.000 0.915 296 Q HN 0.473 nan 8.270 nan 0.000 0.416 297 K N 0.997 121.395 120.400 -0.003 0.000 2.026 297 K HA -0.151 4.168 4.320 -0.000 0.000 0.208 297 K C 2.030 178.629 176.600 -0.002 0.000 1.048 297 K CA 1.338 57.625 56.287 -0.001 0.000 0.929 297 K CB 0.052 32.552 32.500 0.001 0.000 0.713 297 K HN -0.002 nan 8.250 nan 0.000 0.439 298 K N 0.525 120.923 120.400 -0.003 0.000 2.044 298 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 298 K C 2.088 178.679 176.600 -0.014 0.000 1.049 298 K CA 2.074 58.358 56.287 -0.005 0.000 0.927 298 K CB -0.256 32.240 32.500 -0.007 0.000 0.713 298 K HN 0.199 nan 8.250 nan 0.000 0.443 299 I N 0.697 121.255 120.570 -0.020 0.000 2.163 299 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 299 I C 2.172 178.280 176.117 -0.015 0.000 1.085 299 I CA 1.241 62.527 61.300 -0.024 0.000 1.347 299 I CB -0.276 37.711 38.000 -0.023 0.000 1.044 299 I HN 0.067 nan 8.210 nan 0.000 0.408 300 S N -0.248 115.446 115.700 -0.009 0.000 2.399 300 S HA -0.225 4.245 4.470 -0.000 0.000 0.231 300 S C 1.908 176.505 174.600 -0.004 0.000 1.022 300 S CA 1.396 59.593 58.200 -0.006 0.000 0.983 300 S CB -0.224 62.974 63.200 -0.003 0.000 0.803 300 S HN 0.451 nan 8.310 nan 0.000 0.480 301 E N 0.656 120.854 120.200 -0.003 0.000 2.307 301 E HA 0.154 4.503 4.350 -0.000 0.000 0.195 301 E C 0.562 177.163 176.600 0.001 0.000 0.975 301 E CA -0.114 56.287 56.400 0.000 0.000 0.878 301 E CB 0.309 30.011 29.700 0.003 0.000 0.845 301 E HN 0.238 nan 8.360 nan 0.000 0.488 302 S N 0.745 116.444 115.700 -0.002 0.000 2.528 302 S HA 0.106 4.576 4.470 -0.000 0.000 0.277 302 S C -1.932 172.668 174.600 -0.001 0.000 1.297 302 S CA -1.560 56.640 58.200 0.000 0.000 1.052 302 S CB 0.909 64.103 63.200 -0.009 0.000 0.917 302 S HN -0.055 nan 8.310 nan 0.000 0.492 303 P HA -0.052 nan 4.420 nan 0.000 0.221 303 P C 0.904 178.205 177.300 0.001 0.000 1.145 303 P CA 1.040 64.142 63.100 0.004 0.000 0.795 303 P CB 0.067 31.771 31.700 0.008 0.000 0.775 304 L N -1.781 119.441 121.223 -0.001 0.000 2.446 304 L HA 0.048 4.388 4.340 -0.000 0.000 0.219 304 L C 1.714 178.575 176.870 -0.015 0.000 1.116 304 L CA 1.622 56.458 54.840 -0.006 0.000 0.844 304 L CB -0.930 41.125 42.059 -0.007 0.000 0.970 304 L HN 0.139 nan 8.230 nan 0.000 0.457 305 T N -5.713 108.830 114.554 -0.018 0.000 2.958 305 T HA 0.124 4.474 4.350 -0.000 0.000 0.256 305 T C 1.555 176.247 174.700 -0.014 0.000 0.983 305 T CA -0.415 61.672 62.100 -0.022 0.000 0.924 305 T CB 0.322 69.170 68.868 -0.034 0.000 1.136 305 T HN 0.023 nan 8.240 nan 0.000 0.506 306 K N 2.380 122.775 120.400 -0.010 0.000 2.015 306 K HA -0.205 4.115 4.320 -0.000 0.000 0.220 306 K C 1.768 178.365 176.600 -0.006 0.000 1.055 306 K CA 2.197 58.480 56.287 -0.006 0.000 0.951 306 K CB -0.500 31.998 32.500 -0.003 0.000 0.725 306 K HN 0.560 nan 8.250 nan 0.000 0.449 307 D N 0.755 121.152 120.400 -0.005 0.000 2.407 307 D HA -0.146 4.494 4.640 -0.000 0.000 0.234 307 D C 0.434 176.731 176.300 -0.004 0.000 1.029 307 D CA 0.955 54.953 54.000 -0.004 0.000 0.937 307 D CB -0.091 40.707 40.800 -0.003 0.000 0.882 307 D HN 0.237 nan 8.370 nan 0.000 0.531 308 K N -0.118 120.278 120.400 -0.006 0.000 2.592 308 K HA 0.364 4.684 4.320 -0.000 0.000 0.203 308 K C 0.122 176.719 176.600 -0.006 0.000 1.070 308 K CA -0.438 55.845 56.287 -0.006 0.000 1.062 308 K CB 1.395 33.890 32.500 -0.009 0.000 0.814 308 K HN 0.093 nan 8.250 nan 0.000 0.502 309 A N 0.602 123.419 122.820 -0.005 0.000 2.587 309 A HA 0.297 4.617 4.320 -0.000 0.000 0.233 309 A C 1.382 178.965 177.584 -0.003 0.000 1.049 309 A CA 1.377 53.411 52.037 -0.005 0.000 0.754 309 A CB -0.464 18.534 19.000 -0.003 0.000 0.977 309 A HN 0.662 nan 8.150 nan 0.000 0.509 310 G N 0.447 109.246 108.800 -0.003 0.000 2.189 310 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 310 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 310 G C 0.393 175.294 174.900 0.000 0.000 0.975 310 G CA 0.827 45.927 45.100 -0.001 0.000 0.644 310 G HN 1.192 nan 8.290 nan 0.000 0.537 311 Q N 0.254 120.053 119.800 -0.001 0.000 2.314 311 Q HA 0.438 4.778 4.340 -0.000 0.000 0.258 311 Q C 0.541 176.543 176.000 0.003 0.000 0.954 311 Q CA -0.415 55.388 55.803 0.001 0.000 0.890 311 Q CB 0.420 29.158 28.738 -0.000 0.000 1.210 311 Q HN 0.358 nan 8.270 nan 0.000 0.410 312 K N 5.263 125.667 120.400 0.007 0.000 2.349 312 K HA 0.239 4.559 4.320 -0.000 0.000 0.288 312 K C -2.366 174.243 176.600 0.014 0.000 1.058 312 K CA -1.402 54.891 56.287 0.010 0.000 0.953 312 K CB 0.582 33.090 32.500 0.013 0.000 0.997 312 K HN 0.331 nan 8.250 nan 0.000 0.477 313 P HA -0.051 nan 4.420 nan 0.000 0.265 313 P C -0.232 177.095 177.300 0.044 0.000 1.193 313 P CA -0.022 63.091 63.100 0.021 0.000 0.765 313 P CB 1.073 32.778 31.700 0.007 0.000 0.823 314 S N 1.746 117.489 115.700 0.071 0.000 2.524 314 S HA 0.095 4.565 4.470 -0.000 0.000 0.216 314 S C 0.030 174.744 174.600 0.190 0.000 0.987 314 S CA 0.156 58.416 58.200 0.100 0.000 0.909 314 S CB -0.462 62.783 63.200 0.074 0.000 0.781 314 S HN 0.559 nan 8.310 nan 0.000 0.521 315 Y N -0.550 119.757 120.300 0.012 0.000 2.558 315 Y HA 0.540 5.089 4.550 -0.000 0.000 0.333 315 Y C -1.752 174.149 175.900 0.001 0.000 1.125 315 Y CA -1.426 56.688 58.100 0.025 0.000 1.039 315 Y CB 1.251 39.721 38.460 0.017 0.000 1.331 315 Y HN 0.189 nan 8.280 nan 0.000 0.456 316 C N 6.092 125.038 119.300 -0.589 0.000 2.686 316 C HA 0.844 5.304 4.460 -0.000 0.000 0.318 316 C C -1.758 172.728 174.990 -0.840 0.000 1.160 316 C CA -0.583 58.105 59.018 -0.551 0.000 1.396 316 C CB 0.729 28.290 27.740 -0.298 0.000 1.924 316 C HN 0.834 nan 8.230 nan 0.000 0.471 317 V N 7.040 126.603 119.914 -0.585 0.000 2.531 317 V HA 0.789 4.909 4.120 -0.000 0.000 0.301 317 V C -0.906 174.997 176.094 -0.319 0.000 1.034 317 V CA -0.148 61.872 62.300 -0.466 0.000 0.865 317 V CB 1.975 33.662 31.823 -0.228 0.000 0.995 317 V HN 0.791 nan 8.190 nan 0.000 0.424 318 V N 5.248 124.922 119.914 -0.399 0.000 2.540 318 V HA 0.446 4.566 4.120 -0.000 0.000 0.302 318 V C 0.218 176.223 176.094 -0.149 0.000 1.035 318 V CA -0.535 61.598 62.300 -0.278 0.000 0.873 318 V CB 2.248 33.841 31.823 -0.384 0.000 0.992 318 V HN 0.922 nan 8.190 nan 0.000 0.428 319 T N 4.392 118.919 114.554 -0.046 0.000 2.752 319 T HA 0.296 4.646 4.350 -0.000 0.000 0.295 319 T C -0.092 174.683 174.700 0.125 0.000 0.923 319 T CA 0.042 62.183 62.100 0.069 0.000 1.112 319 T CB -0.125 68.827 68.868 0.140 0.000 0.884 319 T HN 0.664 nan 8.240 nan 0.000 0.525 320 N N 2.288 121.070 118.700 0.137 0.000 2.478 320 N HA 0.325 5.065 4.740 -0.000 0.000 0.291 320 N C -0.150 175.327 175.510 -0.055 0.000 1.090 320 N CA -0.759 52.351 53.050 0.101 0.000 0.911 320 N CB 0.738 39.297 38.487 0.120 0.000 1.546 320 N HN 0.750 nan 8.380 nan 0.000 0.500 321 C N 1.166 120.158 119.300 -0.514 0.000 2.553 321 C HA 0.807 5.267 4.460 -0.000 0.000 0.345 321 C C 1.487 176.461 174.990 -0.027 0.000 1.369 321 C CA -0.493 58.291 59.018 -0.389 0.000 2.447 321 C CB -0.352 26.989 27.740 -0.664 0.000 2.358 321 C HN 0.770 nan 8.230 nan 0.000 0.676 322 T N -1.742 112.828 114.554 0.026 0.000 2.754 322 T HA 0.155 4.505 4.350 -0.000 0.000 0.286 322 T C 0.501 175.242 174.700 0.069 0.000 0.997 322 T CA 0.106 62.273 62.100 0.112 0.000 0.982 322 T CB 0.112 69.047 68.868 0.111 0.000 1.027 322 T HN 0.826 nan 8.240 nan 0.000 0.529 323 Y N 0.442 120.723 120.300 -0.030 0.000 2.256 323 Y HA -0.099 4.450 4.550 -0.001 0.000 0.288 323 Y C 1.926 177.714 175.900 -0.187 0.000 1.155 323 Y CA 1.880 59.856 58.100 -0.207 0.000 1.203 323 Y CB -0.065 38.338 38.460 -0.094 0.000 0.980 323 Y HN 0.660 nan 8.280 nan 0.000 0.530 324 D N -1.008 119.483 120.400 0.152 0.000 2.328 324 D HA 0.129 4.769 4.640 -0.000 0.000 0.221 324 D C 1.309 177.724 176.300 0.192 0.000 1.072 324 D CA 0.964 55.067 54.000 0.171 0.000 0.850 324 D CB 0.191 41.126 40.800 0.224 0.000 0.922 324 D HN 0.489 nan 8.370 nan 0.000 0.516 325 G N 1.099 109.951 108.800 0.088 0.000 2.142 325 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 325 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 325 G C 0.318 175.286 174.900 0.115 0.000 1.015 325 G CA -0.223 44.931 45.100 0.089 0.000 0.716 325 G HN 0.246 nan 8.290 nan 0.000 0.508 326 V N 0.928 120.903 119.914 0.101 0.000 2.415 326 V HA 0.314 4.434 4.120 -0.000 0.000 0.267 326 V C 1.058 177.094 176.094 -0.097 0.000 1.042 326 V CA -0.179 62.134 62.300 0.021 0.000 1.000 326 V CB 0.614 32.403 31.823 -0.057 0.000 1.015 326 V HN 0.499 nan 8.190 nan 0.000 0.478 327 C N 5.821 125.076 119.300 -0.074 0.000 2.273 327 C HA 0.543 5.003 4.460 -0.000 0.000 0.328 327 C C 0.121 175.122 174.990 0.019 0.000 1.275 327 C CA -1.367 57.615 59.018 -0.060 0.000 1.704 327 C CB -0.614 27.156 27.740 0.049 0.000 2.326 327 C HN 0.735 nan 8.230 nan 0.000 0.517 328 Y N 1.707 121.924 120.300 -0.138 0.000 2.336 328 Y HA 0.115 4.665 4.550 -0.000 0.000 0.331 328 Y C 1.254 176.923 175.900 -0.385 0.000 1.211 328 Y CA 0.217 58.099 58.100 -0.364 0.000 1.346 328 Y CB 0.452 38.650 38.460 -0.436 0.000 1.271 328 Y HN 0.635 nan 8.280 nan 0.000 0.538 329 N N 2.329 120.700 118.700 -0.548 0.000 2.434 329 N HA 0.010 4.750 4.740 -0.000 0.000 0.273 329 N C 0.482 175.688 175.510 -0.507 0.000 1.210 329 N CA 0.311 52.898 53.050 -0.772 0.000 0.992 329 N CB 0.751 38.892 38.487 -0.577 0.000 1.355 329 N HN 0.882 nan 8.380 nan 0.000 0.495 330 A N 4.434 126.985 122.820 -0.449 0.000 1.969 330 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 330 A C 2.141 179.537 177.584 -0.313 0.000 1.169 330 A CA 1.064 52.805 52.037 -0.492 0.000 0.635 330 A CB -0.270 18.267 19.000 -0.772 0.000 0.810 330 A HN 0.715 nan 8.150 nan 0.000 0.445 331 K N -0.374 119.858 120.400 -0.281 0.000 2.032 331 K HA -0.194 4.125 4.320 -0.000 0.000 0.209 331 K C 1.783 178.362 176.600 -0.036 0.000 1.048 331 K CA 1.612 57.807 56.287 -0.153 0.000 0.927 331 K CB -0.120 32.283 32.500 -0.162 0.000 0.712 331 K HN 0.378 nan 8.250 nan 0.000 0.441 332 E N 0.325 120.519 120.200 -0.009 0.000 2.072 332 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 332 E C 1.962 178.735 176.600 0.289 0.000 0.985 332 E CA 1.136 57.642 56.400 0.177 0.000 0.801 332 E CB -0.318 29.588 29.700 0.344 0.000 0.750 332 E HN 0.421 nan 8.360 nan 0.000 0.452 333 A N 1.463 124.396 122.820 0.188 0.000 1.908 333 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 333 A C 2.217 179.962 177.584 0.269 0.000 1.181 333 A CA 1.972 54.182 52.037 0.289 0.000 0.627 333 A CB -0.666 18.404 19.000 0.117 0.000 0.818 333 A HN 0.299 nan 8.150 nan 0.000 0.445 334 Q N -0.554 119.392 119.800 0.242 0.000 2.061 334 Q HA -0.284 4.055 4.340 -0.000 0.000 0.204 334 Q C 1.600 177.676 176.000 0.127 0.000 0.984 334 Q CA 2.141 58.074 55.803 0.217 0.000 0.846 334 Q CB -0.274 28.571 28.738 0.177 0.000 0.902 334 Q HN 0.621 nan 8.270 nan 0.000 0.421 335 D N 0.134 120.602 120.400 0.113 0.000 2.104 335 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 335 D C 1.932 178.281 176.300 0.082 0.000 0.994 335 D CA 1.330 55.381 54.000 0.084 0.000 0.830 335 D CB -0.118 40.729 40.800 0.078 0.000 0.959 335 D HN 0.269 nan 8.370 nan 0.000 0.452 336 L N -0.269 121.023 121.223 0.115 0.000 2.027 336 L HA -0.111 4.228 4.340 -0.000 0.000 0.206 336 L C 2.455 179.365 176.870 0.066 0.000 1.074 336 L CA 0.675 55.569 54.840 0.090 0.000 0.745 336 L CB -0.387 41.743 42.059 0.119 0.000 0.898 336 L HN 0.113 nan 8.230 nan 0.000 0.433 337 L N 0.013 121.280 121.223 0.073 0.000 2.109 337 L HA -0.172 4.167 4.340 -0.000 0.000 0.207 337 L C 2.639 179.510 176.870 0.003 0.000 1.086 337 L CA 1.229 56.082 54.840 0.020 0.000 0.760 337 L CB -0.506 41.539 42.059 -0.023 0.000 0.910 337 L HN 0.406 nan 8.230 nan 0.000 0.437 338 E N 0.456 120.667 120.200 0.019 0.000 2.409 338 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 338 E C 1.774 178.383 176.600 0.014 0.000 1.024 338 E CA 0.819 57.227 56.400 0.013 0.000 0.861 338 E CB -0.110 29.606 29.700 0.026 0.000 0.788 338 E HN 0.400 nan 8.360 nan 0.000 0.521 339 K N 0.051 120.462 120.400 0.018 0.000 2.365 339 K HA -0.008 4.312 4.320 -0.000 0.000 0.199 339 K C 1.374 177.979 176.600 0.009 0.000 1.045 339 K CA 1.402 57.698 56.287 0.015 0.000 0.962 339 K CB 0.243 32.754 32.500 0.018 0.000 0.759 339 K HN 0.132 nan 8.250 nan 0.000 0.469 340 T N -0.914 113.642 114.554 0.004 0.000 3.087 340 T HA 0.024 4.374 4.350 -0.000 0.000 0.237 340 T C 0.515 175.214 174.700 -0.002 0.000 0.990 340 T CA 0.140 62.239 62.100 -0.001 0.000 1.160 340 T CB 0.480 69.343 68.868 -0.007 0.000 0.923 340 T HN 0.022 nan 8.240 nan 0.000 0.442 341 S N 0.511 116.206 115.700 -0.010 0.000 2.503 341 S HA 0.345 4.815 4.470 -0.000 0.000 0.301 341 S C -0.220 174.381 174.600 0.002 0.000 1.087 341 S CA -0.674 57.523 58.200 -0.005 0.000 1.042 341 S CB 1.378 64.562 63.200 -0.027 0.000 1.043 341 S HN 0.059 nan 8.310 nan 0.000 0.489 342 D N 1.966 122.379 120.400 0.022 0.000 2.323 342 D HA 0.145 4.784 4.640 -0.000 0.000 0.209 342 D C 0.014 176.332 176.300 0.030 0.000 0.973 342 D CA 0.717 54.732 54.000 0.025 0.000 0.874 342 D CB 0.196 41.015 40.800 0.033 0.000 0.930 342 D HN 0.326 nan 8.370 nan 0.000 0.521 343 R N 0.218 120.753 120.500 0.059 0.000 2.288 343 R HA 0.480 4.820 4.340 -0.000 0.000 0.326 343 R C -0.679 175.640 176.300 0.031 0.000 0.959 343 R CA -0.193 55.978 56.100 0.119 0.000 0.834 343 R CB 1.273 31.750 30.300 0.295 0.000 1.157 343 R HN -0.098 nan 8.270 nan 0.000 0.470 344 L N 2.625 123.840 121.223 -0.014 0.000 2.322 344 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 344 L C -0.188 176.654 176.870 -0.047 0.000 1.014 344 L CA -0.667 54.068 54.840 -0.174 0.000 0.815 344 L CB 1.685 43.595 42.059 -0.247 0.000 1.247 344 L HN 0.611 nan 8.230 nan 0.000 0.421 345 H N 3.847 122.717 119.070 -0.334 0.000 2.708 345 H HA 0.385 4.940 4.556 -0.000 0.000 0.320 345 H C -1.496 173.663 175.328 -0.281 0.000 0.991 345 H CA -0.785 55.211 56.048 -0.087 0.000 1.243 345 H CB 0.996 30.778 29.762 0.033 0.000 1.446 345 H HN 0.400 nan 8.280 nan 0.000 0.502 346 F N 3.670 123.673 119.950 0.088 0.000 2.371 346 F HA 0.068 4.595 4.527 -0.000 0.000 0.363 346 F C 0.592 176.354 175.800 -0.063 0.000 1.122 346 F CA -0.711 57.257 58.000 -0.054 0.000 1.129 346 F CB 0.817 39.834 39.000 0.030 0.000 1.173 346 F HN 0.568 nan 8.300 nan 0.000 0.489 347 D N 4.059 124.392 120.400 -0.112 0.000 2.435 347 D HA 0.033 4.673 4.640 -0.000 0.000 0.230 347 D C 0.195 176.600 176.300 0.176 0.000 1.215 347 D CA 0.156 54.138 54.000 -0.030 0.000 0.947 347 D CB 0.233 40.955 40.800 -0.130 0.000 1.048 347 D HN 0.614 nan 8.370 nan 0.000 0.512 348 E N 2.293 122.668 120.200 0.293 0.000 2.336 348 E HA 0.168 4.517 4.350 -0.000 0.000 0.214 348 E C 1.329 178.145 176.600 0.359 0.000 1.144 348 E CA -0.370 56.266 56.400 0.394 0.000 1.294 348 E CB 0.599 30.615 29.700 0.526 0.000 1.263 348 E HN 0.495 nan 8.360 nan 0.000 0.439 349 A N 0.349 123.296 122.820 0.211 0.000 1.917 349 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 349 A C 1.235 178.789 177.584 -0.050 0.000 1.182 349 A CA 0.973 53.023 52.037 0.022 0.000 0.633 349 A CB -0.526 18.370 19.000 -0.173 0.000 0.819 349 A HN 0.499 nan 8.150 nan 0.000 0.448 350 W N -2.457 118.900 121.300 0.095 0.000 3.391 350 W HA 0.399 5.058 4.660 -0.000 0.000 0.372 350 W C 0.519 177.134 176.519 0.160 0.000 1.171 350 W CA -0.136 57.266 57.345 0.095 0.000 1.862 350 W CB -0.058 29.436 29.460 0.057 0.000 1.048 350 W HN 0.483 nan 8.180 nan 0.000 0.726 351 Y N -1.234 119.045 120.300 -0.036 0.000 2.926 351 Y HA 0.209 4.758 4.550 -0.001 0.000 0.258 351 Y C 1.812 177.204 175.900 -0.847 0.000 1.110 351 Y CA 0.039 57.821 58.100 -0.530 0.000 1.224 351 Y CB 0.080 38.396 38.460 -0.240 0.000 1.276 351 Y HN -0.057 nan 8.280 nan 0.000 0.595 352 G N 0.326 108.729 108.800 -0.663 0.000 2.498 352 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 352 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 352 G C 0.960 175.551 174.900 -0.515 0.000 1.119 352 G CA 1.439 45.924 45.100 -1.026 0.000 0.766 352 G HN 0.691 nan 8.290 nan 0.000 0.552 353 Y N -1.099 119.036 120.300 -0.275 0.000 2.517 353 Y HA 0.571 5.121 4.550 -0.000 0.000 0.281 353 Y C 2.550 178.234 175.900 -0.360 0.000 1.125 353 Y CA -0.238 57.807 58.100 -0.091 0.000 1.283 353 Y CB -0.643 37.776 38.460 -0.069 0.000 1.042 353 Y HN 0.115 nan 8.280 nan 0.000 0.547 354 A N 2.249 124.330 122.820 -1.232 0.000 1.917 354 A HA -0.302 4.017 4.320 -0.000 0.000 0.219 354 A C 2.418 179.311 177.584 -1.152 0.000 1.182 354 A CA 2.151 53.334 52.037 -1.425 0.000 0.633 354 A CB -0.876 16.858 19.000 -2.110 0.000 0.819 354 A HN 0.573 nan 8.150 nan 0.000 0.448 355 R N -1.398 118.160 120.500 -1.568 0.000 2.200 355 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 355 R C 0.802 176.493 176.300 -1.014 0.000 1.127 355 R CA 1.752 56.878 56.100 -1.623 0.000 0.989 355 R CB -0.352 28.990 30.300 -1.596 0.000 0.869 355 R HN 0.491 nan 8.270 nan 0.000 0.459 356 F N -0.348 119.403 119.950 -0.332 0.000 2.727 356 F HA 0.304 4.831 4.527 -0.001 0.000 0.302 356 F C 0.403 176.169 175.800 -0.057 0.000 1.097 356 F CA -0.255 57.636 58.000 -0.181 0.000 1.330 356 F CB 0.066 38.945 39.000 -0.201 0.000 1.084 356 F HN -0.047 nan 8.300 nan 0.000 0.578 357 N N 0.559 119.325 118.700 0.111 0.000 2.352 357 N HA 0.205 4.945 4.740 -0.000 0.000 0.291 357 N C -2.281 173.277 175.510 0.081 0.000 1.040 357 N CA -1.646 51.476 53.050 0.119 0.000 0.864 357 N CB 2.449 41.039 38.487 0.172 0.000 1.440 357 N HN -0.247 nan 8.380 nan 0.000 0.483 358 P HA -0.041 nan 4.420 nan 0.000 0.219 358 P C 1.482 178.775 177.300 -0.011 0.000 1.146 358 P CA 0.643 63.761 63.100 0.031 0.000 0.808 358 P CB 0.440 32.149 31.700 0.014 0.000 0.779 359 I N -2.027 118.455 120.570 -0.147 0.000 2.423 359 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 359 I C 1.202 177.118 176.117 -0.335 0.000 1.151 359 I CA 1.469 62.589 61.300 -0.301 0.000 1.421 359 I CB -0.126 37.565 38.000 -0.515 0.000 1.079 359 I HN -0.040 nan 8.210 nan 0.000 0.431 360 Y N 0.679 121.002 120.300 0.039 0.000 2.466 360 Y HA 0.415 4.965 4.550 -0.000 0.000 0.272 360 Y C 1.449 177.533 175.900 0.307 0.000 1.169 360 Y CA -0.138 58.038 58.100 0.125 0.000 1.285 360 Y CB -0.953 37.563 38.460 0.093 0.000 1.078 360 Y HN 0.033 nan 8.280 nan 0.000 0.523 361 A N 1.072 124.095 122.820 0.338 0.000 2.608 361 A HA -0.067 4.253 4.320 -0.000 0.000 0.246 361 A C 0.770 178.492 177.584 0.230 0.000 0.998 361 A CA 1.033 53.224 52.037 0.256 0.000 0.796 361 A CB -0.536 18.548 19.000 0.141 0.000 0.895 361 A HN 0.670 nan 8.150 nan 0.000 0.508 362 D N -0.178 120.168 120.400 -0.090 0.000 2.792 362 D HA -0.165 4.475 4.640 -0.000 0.000 0.192 362 D C 0.235 176.355 176.300 -0.300 0.000 1.007 362 D CA 2.331 56.193 54.000 -0.230 0.000 1.020 362 D CB -1.378 39.356 40.800 -0.109 0.000 1.089 362 D HN 0.903 nan 8.370 nan 0.000 0.438 363 H N -0.709 118.302 119.070 -0.098 0.000 2.550 363 H HA 0.399 4.955 4.556 -0.000 0.000 0.304 363 H C -0.140 175.312 175.328 0.207 0.000 1.086 363 H CA 0.026 56.112 56.048 0.064 0.000 1.089 363 H CB -0.215 29.685 29.762 0.229 0.000 1.528 363 H HN 0.421 nan 8.280 nan 0.000 0.539 364 Y N -4.925 115.368 120.300 -0.013 0.000 2.705 364 Y HA 0.657 5.207 4.550 -0.001 0.000 0.332 364 Y C 0.645 176.391 175.900 -0.257 0.000 1.221 364 Y CA -1.165 56.873 58.100 -0.103 0.000 1.059 364 Y CB 0.656 39.002 38.460 -0.190 0.000 1.298 364 Y HN -0.155 nan 8.280 nan 0.000 0.459 365 A N 0.979 123.724 122.820 -0.125 0.000 1.855 365 A HA 0.074 4.394 4.320 -0.000 0.000 0.213 365 A C 1.106 178.652 177.584 -0.064 0.000 1.195 365 A CA 0.965 52.891 52.037 -0.185 0.000 0.610 365 A CB -0.367 18.643 19.000 0.016 0.000 0.837 365 A HN 0.651 nan 8.150 nan 0.000 0.444 366 M N 2.069 121.738 119.600 0.114 0.000 3.596 366 M HA 0.195 4.675 4.480 -0.000 0.000 0.219 366 M C -0.582 175.771 176.300 0.088 0.000 1.471 366 M CA 0.268 55.618 55.300 0.082 0.000 1.644 366 M CB -1.043 31.599 32.600 0.070 0.000 1.083 366 M HN 0.227 nan 8.290 nan 0.000 0.579 367 R N 0.168 120.606 120.500 -0.103 0.000 2.357 367 R HA 0.600 4.939 4.340 -0.000 0.000 0.296 367 R C 1.129 177.388 176.300 -0.069 0.000 1.052 367 R CA 0.182 56.178 56.100 -0.173 0.000 0.988 367 R CB 0.652 30.732 30.300 -0.367 0.000 1.025 367 R HN 0.741 nan 8.270 nan 0.000 0.469 368 G N 2.264 111.046 108.800 -0.029 0.000 2.575 368 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.267 368 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.267 368 G C -0.623 174.261 174.900 -0.027 0.000 1.264 368 G CA -0.415 44.668 45.100 -0.028 0.000 0.935 368 G HN 0.538 nan 8.290 nan 0.000 0.568 369 E N 1.976 122.159 120.200 -0.029 0.000 2.313 369 E HA 0.494 4.843 4.350 -0.000 0.000 0.272 369 E C -1.478 175.102 176.600 -0.033 0.000 1.038 369 E CA -1.202 55.182 56.400 -0.026 0.000 0.863 369 E CB 1.137 30.823 29.700 -0.023 0.000 1.060 369 E HN 0.487 nan 8.360 nan 0.000 0.402 370 P HA 0.348 nan 4.420 nan 0.000 0.277 370 P C 0.392 177.649 177.300 -0.072 0.000 1.271 370 P CA -0.190 62.894 63.100 -0.028 0.000 0.795 370 P CB 1.034 32.744 31.700 0.016 0.000 1.101 371 G N -0.566 108.137 108.800 -0.161 0.000 2.624 371 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.190 371 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.190 371 G C -0.212 174.292 174.900 -0.660 0.000 1.008 371 G CA 0.007 44.900 45.100 -0.344 0.000 0.731 371 G HN 0.704 nan 8.290 nan 0.000 0.478 372 D N 1.061 121.227 120.400 -0.391 0.000 2.374 372 D HA 0.414 5.053 4.640 -0.000 0.000 0.240 372 D C 0.895 177.041 176.300 -0.256 0.000 1.229 372 D CA -0.413 53.408 54.000 -0.297 0.000 0.895 372 D CB 0.051 40.770 40.800 -0.136 0.000 1.046 372 D HN 0.337 nan 8.370 nan 0.000 0.498 373 H N 2.827 121.891 119.070 -0.010 0.000 2.524 373 H HA 0.110 4.666 4.556 -0.000 0.000 0.280 373 H C 0.164 175.487 175.328 -0.009 0.000 1.018 373 H CA -0.117 55.924 56.048 -0.012 0.000 1.165 373 H CB -0.164 29.593 29.762 -0.008 0.000 1.411 373 H HN 0.397 nan 8.280 nan 0.000 0.569 374 N N 1.321 120.055 118.700 0.056 0.000 2.485 374 N HA 0.353 5.092 4.740 -0.000 0.000 0.243 374 N C 0.014 175.539 175.510 0.024 0.000 0.987 374 N CA 0.439 53.511 53.050 0.038 0.000 0.940 374 N CB 1.082 39.581 38.487 0.019 0.000 1.122 374 N HN 0.512 nan 8.380 nan 0.000 0.509 375 G N 3.414 112.231 108.800 0.028 0.000 2.359 375 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.303 375 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.303 375 G C -3.355 171.558 174.900 0.021 0.000 1.293 375 G CA -0.840 44.273 45.100 0.022 0.000 0.964 375 G HN 0.374 nan 8.290 nan 0.000 0.531 376 P HA 0.432 nan 4.420 nan 0.000 0.279 376 P C -0.158 177.129 177.300 -0.022 0.000 1.276 376 P CA -0.015 63.087 63.100 0.003 0.000 0.801 376 P CB 0.844 32.547 31.700 0.005 0.000 1.127 377 T N 0.364 114.886 114.554 -0.055 0.000 2.794 377 T HA 0.309 4.658 4.350 -0.000 0.000 0.296 377 T C -0.157 174.399 174.700 -0.241 0.000 0.949 377 T CA -0.049 61.953 62.100 -0.164 0.000 1.101 377 T CB -0.088 68.671 68.868 -0.181 0.000 0.905 377 T HN 0.062 nan 8.240 nan 0.000 0.516 378 V N 5.289 125.022 119.914 -0.303 0.000 2.487 378 V HA 0.519 4.638 4.120 -0.000 0.000 0.298 378 V C -0.787 175.110 176.094 -0.329 0.000 1.028 378 V CA -0.900 61.290 62.300 -0.183 0.000 0.860 378 V CB 1.201 33.055 31.823 0.052 0.000 0.991 378 V HN 0.744 nan 8.190 nan 0.000 0.427 379 F N 2.930 122.967 119.950 0.146 0.000 2.436 379 F HA 0.793 5.320 4.527 -0.000 0.000 0.340 379 F C 0.504 176.491 175.800 0.311 0.000 1.113 379 F CA -0.552 57.541 58.000 0.155 0.000 1.022 379 F CB 1.793 40.803 39.000 0.018 0.000 1.128 379 F HN 0.538 nan 8.300 nan 0.000 0.466 380 A N 1.637 124.706 122.820 0.415 0.000 2.343 380 A HA 0.742 5.062 4.320 -0.000 0.000 0.316 380 A C -0.463 177.244 177.584 0.205 0.000 1.104 380 A CA -0.688 51.560 52.037 0.351 0.000 0.768 380 A CB 0.686 19.832 19.000 0.242 0.000 1.213 380 A HN 0.718 nan 8.150 nan 0.000 0.456 381 T N 0.294 114.996 114.554 0.246 0.000 2.794 381 T HA 0.656 5.006 4.350 -0.000 0.000 0.280 381 T C -0.541 174.242 174.700 0.139 0.000 0.987 381 T CA -0.357 61.833 62.100 0.149 0.000 0.993 381 T CB 0.547 69.569 68.868 0.257 0.000 0.939 381 T HN 0.653 nan 8.240 nan 0.000 0.449 382 H N 0.719 119.887 119.070 0.164 0.000 2.489 382 H HA 0.464 5.019 4.556 -0.000 0.000 0.343 382 H C -0.286 175.039 175.328 -0.006 0.000 1.086 382 H CA -1.147 54.957 56.048 0.093 0.000 1.198 382 H CB 1.439 31.286 29.762 0.141 0.000 1.490 382 H HN 0.565 nan 8.280 nan 0.000 0.504 383 S N 1.863 117.554 115.700 -0.015 0.000 2.416 383 S HA -0.053 4.417 4.470 -0.000 0.000 0.302 383 S C 1.533 175.965 174.600 -0.279 0.000 1.120 383 S CA -0.321 57.712 58.200 -0.278 0.000 1.067 383 S CB 0.444 63.273 63.200 -0.619 0.000 1.057 383 S HN 0.873 nan 8.310 nan 0.000 0.518 384 T N 1.271 115.782 114.554 -0.071 0.000 3.072 384 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 384 T C 0.718 175.426 174.700 0.014 0.000 1.127 384 T CA 0.687 62.814 62.100 0.046 0.000 1.107 384 T CB -0.503 68.470 68.868 0.175 0.000 0.910 384 T HN 0.793 nan 8.240 nan 0.000 0.513 388 L N -0.411 120.907 121.223 0.158 0.000 2.874 388 L HA 0.412 4.752 4.340 -0.000 0.000 0.229 388 L C 0.012 176.943 176.870 0.102 0.000 1.200 388 L CA -0.573 54.354 54.840 0.145 0.000 0.976 388 L CB 0.650 42.819 42.059 0.183 0.000 1.887 388 L HN 0.078 nan 8.230 nan 0.000 0.543 389 N N 0.055 118.808 118.700 0.089 0.000 2.476 389 N HA 0.657 5.396 4.740 -0.000 0.000 0.257 389 N C -1.162 174.391 175.510 0.072 0.000 0.970 389 N CA -0.151 52.939 53.050 0.066 0.000 0.938 389 N CB 1.662 40.171 38.487 0.036 0.000 1.144 389 N HN 0.625 nan 8.380 nan 0.000 0.500 390 A N 1.461 124.330 122.820 0.083 0.000 2.586 390 A HA 0.428 4.747 4.320 -0.000 0.000 0.291 390 A C -1.353 176.284 177.584 0.089 0.000 1.062 390 A CA -0.735 51.350 52.037 0.080 0.000 0.666 390 A CB 0.707 19.772 19.000 0.108 0.000 1.281 390 A HN 0.457 nan 8.150 nan 0.000 0.421 391 L N 1.390 122.641 121.223 0.046 0.000 2.439 391 L HA 0.288 4.628 4.340 -0.000 0.000 0.269 391 L C 0.991 177.848 176.870 -0.020 0.000 1.179 391 L CA -0.297 54.549 54.840 0.009 0.000 0.828 391 L CB 1.011 43.059 42.059 -0.018 0.000 1.106 391 L HN 0.763 nan 8.230 nan 0.000 0.467 392 S N 1.772 117.382 115.700 -0.149 0.000 2.561 392 S HA -0.063 4.407 4.470 -0.000 0.000 0.294 392 S C 0.617 175.020 174.600 -0.329 0.000 1.294 392 S CA 0.142 58.045 58.200 -0.494 0.000 1.055 392 S CB 0.555 63.532 63.200 -0.370 0.000 0.819 392 S HN 0.804 nan 8.310 nan 0.000 0.503 393 Q N -1.875 117.679 119.800 -0.409 0.000 2.676 393 Q HA -0.199 4.141 4.340 -0.000 0.000 0.154 393 Q C 0.162 176.184 176.000 0.037 0.000 0.594 393 Q CA 0.896 56.639 55.803 -0.100 0.000 1.222 393 Q CB -1.621 27.073 28.738 -0.073 0.000 1.001 393 Q HN 0.871 nan 8.270 nan 0.000 1.091 394 A N 1.263 124.144 122.820 0.102 0.000 2.450 394 A HA 0.573 4.893 4.320 -0.000 0.000 0.255 394 A C 0.155 177.782 177.584 0.072 0.000 1.096 394 A CA 0.981 53.059 52.037 0.069 0.000 0.778 394 A CB 1.151 20.192 19.000 0.068 0.000 1.031 394 A HN 0.218 nan 8.150 nan 0.000 0.494 395 S N 0.820 116.465 115.700 -0.092 0.000 2.565 395 S HA 0.677 5.147 4.470 -0.000 0.000 0.269 395 S C -1.944 172.491 174.600 -0.275 0.000 1.153 395 S CA -0.438 57.708 58.200 -0.090 0.000 0.835 395 S CB 0.750 63.939 63.200 -0.019 0.000 1.122 395 S HN 0.567 nan 8.310 nan 0.000 0.462 396 Y N 1.448 121.717 120.300 -0.052 0.000 2.477 396 Y HA 0.595 5.145 4.550 -0.000 0.000 0.347 396 Y C -0.269 175.477 175.900 -0.256 0.000 0.981 396 Y CA -0.721 57.249 58.100 -0.215 0.000 1.033 396 Y CB 1.583 39.712 38.460 -0.550 0.000 1.245 396 Y HN 0.546 nan 8.280 nan 0.000 0.455 397 I N 4.743 125.352 120.570 0.064 0.000 2.312 397 I HA 0.257 4.426 4.170 -0.000 0.000 0.290 397 I C -0.569 175.556 176.117 0.013 0.000 1.008 397 I CA -0.493 60.862 61.300 0.091 0.000 1.226 397 I CB 0.470 38.609 38.000 0.231 0.000 1.371 397 I HN 0.504 nan 8.210 nan 0.000 0.468 398 H N 5.794 124.966 119.070 0.170 0.000 2.457 398 H HA 0.549 5.105 4.556 -0.000 0.000 0.335 398 H C -0.757 174.657 175.328 0.144 0.000 1.115 398 H CA -0.580 55.537 56.048 0.114 0.000 1.219 398 H CB 2.316 32.062 29.762 -0.027 0.000 1.471 398 H HN 0.197 nan 8.280 nan 0.000 0.491 399 V N 4.285 124.329 119.914 0.216 0.000 2.525 399 V HA 0.336 4.456 4.120 -0.000 0.000 0.299 399 V C 0.200 176.289 176.094 -0.009 0.000 1.034 399 V CA -0.847 61.463 62.300 0.018 0.000 0.863 399 V CB 1.982 33.804 31.823 -0.001 0.000 0.999 399 V HN 0.634 nan 8.190 nan 0.000 0.423 400 R N 2.797 123.246 120.500 -0.084 0.000 2.229 400 R HA 0.449 4.789 4.340 -0.000 0.000 0.332 400 R C -0.399 175.850 176.300 -0.085 0.000 0.989 400 R CA -0.503 55.578 56.100 -0.032 0.000 0.842 400 R CB 1.693 31.993 30.300 0.001 0.000 1.119 400 R HN 0.716 nan 8.270 nan 0.000 0.456 401 E N 1.138 121.330 120.200 -0.013 0.000 2.259 401 E HA 0.241 4.591 4.350 -0.000 0.000 0.281 401 E C 0.157 176.767 176.600 0.017 0.000 1.037 401 E CA -0.209 56.148 56.400 -0.071 0.000 0.854 401 E CB 1.543 31.141 29.700 -0.170 0.000 1.051 401 E HN 0.754 nan 8.360 nan 0.000 0.409 402 G N 2.988 111.770 108.800 -0.029 0.000 3.310 402 G HA2 0.274 4.234 3.960 -0.000 0.000 0.174 402 G HA3 0.274 4.234 3.960 -0.000 0.000 0.174 402 G C -0.630 174.269 174.900 -0.001 0.000 1.097 402 G CA -0.730 44.380 45.100 0.017 0.000 0.795 402 G HN 0.363 nan 8.290 nan 0.000 0.670 403 R N -0.110 120.396 120.500 0.010 0.000 2.539 403 R HA 0.438 4.778 4.340 -0.000 0.000 0.275 403 R C 1.024 177.333 176.300 0.015 0.000 1.077 403 R CA 0.811 56.919 56.100 0.014 0.000 1.097 403 R CB 0.783 31.095 30.300 0.019 0.000 1.018 403 R HN 1.228 nan 8.270 nan 0.000 0.483 404 G N 0.862 109.676 108.800 0.024 0.000 2.179 404 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.257 404 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.257 404 G C 0.311 175.241 174.900 0.049 0.000 1.010 404 G CA 0.227 45.352 45.100 0.042 0.000 0.736 404 G HN 0.873 nan 8.290 nan 0.000 0.513 405 A N -0.701 122.132 122.820 0.021 0.000 2.492 405 A HA 0.602 4.922 4.320 -0.000 0.000 0.236 405 A C 0.546 178.165 177.584 0.058 0.000 1.078 405 A CA 0.589 52.633 52.037 0.011 0.000 0.773 405 A CB 0.306 19.286 19.000 -0.033 0.000 1.023 405 A HN 0.964 nan 8.150 nan 0.000 0.504 406 I N 2.104 122.725 120.570 0.086 0.000 2.439 406 I HA 0.195 4.364 4.170 -0.000 0.000 0.283 406 I C -0.179 176.029 176.117 0.151 0.000 1.023 406 I CA -0.841 60.543 61.300 0.141 0.000 1.100 406 I CB 1.536 39.680 38.000 0.240 0.000 1.238 406 I HN 0.861 nan 8.210 nan 0.000 0.445 407 N N 5.018 123.807 118.700 0.148 0.000 2.263 407 N HA -0.004 4.735 4.740 -0.000 0.000 0.239 407 N C 0.709 176.399 175.510 0.299 0.000 1.317 407 N CA -0.184 52.980 53.050 0.190 0.000 0.909 407 N CB 0.486 39.062 38.487 0.149 0.000 1.171 407 N HN 0.529 nan 8.380 nan 0.000 0.492 408 F N 0.303 120.375 119.950 0.203 0.000 2.095 408 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 408 F C 2.149 178.120 175.800 0.285 0.000 1.104 408 F CA 1.848 60.026 58.000 0.296 0.000 1.232 408 F CB -0.631 38.453 39.000 0.140 0.000 0.987 408 F HN 0.471 nan 8.300 nan 0.000 0.475 409 S N 0.563 116.354 115.700 0.151 0.000 2.365 409 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 409 S C 1.998 176.581 174.600 -0.029 0.000 1.039 409 S CA 1.675 59.892 58.200 0.027 0.000 1.033 409 S CB -0.397 62.869 63.200 0.110 0.000 0.887 409 S HN 0.411 nan 8.310 nan 0.000 0.447 410 R N -0.329 120.196 120.500 0.041 0.000 2.066 410 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 410 R C 2.097 178.389 176.300 -0.013 0.000 1.131 410 R CA 1.419 57.535 56.100 0.026 0.000 0.955 410 R CB -0.464 29.878 30.300 0.070 0.000 0.851 410 R HN 0.374 nan 8.270 nan 0.000 0.432 411 F N 1.969 121.840 119.950 -0.132 0.000 2.206 411 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 411 F C 1.982 177.553 175.800 -0.381 0.000 1.090 411 F CA 1.304 59.142 58.000 -0.269 0.000 1.323 411 F CB -0.208 38.614 39.000 -0.297 0.000 1.028 411 F HN -0.061 nan 8.300 nan 0.000 0.492 412 N N -0.094 118.457 118.700 -0.248 0.000 2.364 412 N HA -0.162 4.578 4.740 -0.000 0.000 0.183 412 N C 1.665 177.094 175.510 -0.134 0.000 1.022 412 N CA 0.864 53.785 53.050 -0.215 0.000 0.883 412 N CB -0.147 38.062 38.487 -0.463 0.000 0.965 412 N HN 0.283 nan 8.380 nan 0.000 0.438 413 Q N -0.421 119.275 119.800 -0.173 0.000 2.172 413 Q HA 0.078 4.418 4.340 -0.000 0.000 0.200 413 Q C 1.850 177.735 176.000 -0.192 0.000 0.964 413 Q CA 1.183 56.905 55.803 -0.136 0.000 0.855 413 Q CB -0.369 28.302 28.738 -0.113 0.000 0.918 413 Q HN 0.477 nan 8.270 nan 0.000 0.444 414 A N -0.403 122.222 122.820 -0.324 0.000 1.970 414 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 414 A C 1.944 179.304 177.584 -0.374 0.000 1.170 414 A CA 0.766 52.565 52.037 -0.397 0.000 0.645 414 A CB -0.665 17.967 19.000 -0.613 0.000 0.816 414 A HN 0.391 nan 8.150 nan 0.000 0.447 415 Y N 0.003 119.985 120.300 -0.529 0.000 2.114 415 Y HA -0.229 4.320 4.550 -0.001 0.000 0.284 415 Y C 2.373 178.204 175.900 -0.114 0.000 1.143 415 Y CA 2.386 60.300 58.100 -0.309 0.000 1.135 415 Y CB -0.243 38.140 38.460 -0.128 0.000 0.980 415 Y HN 0.264 nan 8.280 nan 0.000 0.499 416 M N -0.778 118.918 119.600 0.160 0.000 2.175 416 M HA -0.216 4.264 4.480 -0.000 0.000 0.264 416 M C 2.350 178.600 176.300 -0.083 0.000 1.063 416 M CA 1.863 57.232 55.300 0.116 0.000 1.119 416 M CB -0.243 32.413 32.600 0.092 0.000 1.377 416 M HN 0.491 nan 8.290 nan 0.000 0.415 417 M N -0.308 119.181 119.600 -0.185 0.000 2.192 417 M HA -0.252 4.227 4.480 -0.000 0.000 0.259 417 M C 1.147 177.125 176.300 -0.536 0.000 1.071 417 M CA 1.856 56.939 55.300 -0.362 0.000 1.082 417 M CB -0.199 32.136 32.600 -0.442 0.000 1.373 417 M HN 0.212 nan 8.290 nan 0.000 0.408 418 H N -1.036 117.898 119.070 -0.225 0.000 2.674 418 H HA 0.530 5.085 4.556 -0.000 0.000 0.274 418 H C 0.045 175.227 175.328 -0.244 0.000 1.121 418 H CA 0.305 56.212 56.048 -0.235 0.000 1.132 418 H CB -0.158 29.433 29.762 -0.283 0.000 1.606 418 H HN 0.421 nan 8.280 nan 0.000 0.558 419 A N 0.599 123.330 122.820 -0.149 0.000 2.247 419 A HA 0.504 4.824 4.320 -0.000 0.000 0.313 419 A C 0.335 177.894 177.584 -0.042 0.000 1.109 419 A CA -0.339 51.629 52.037 -0.116 0.000 0.890 419 A CB 0.952 19.939 19.000 -0.021 0.000 1.239 419 A HN 0.180 nan 8.150 nan 0.000 0.506 420 T N -1.627 112.925 114.554 -0.003 0.000 2.885 420 T HA 0.436 4.786 4.350 -0.000 0.000 0.285 420 T C 1.102 175.813 174.700 0.020 0.000 1.019 420 T CA 0.247 62.349 62.100 0.003 0.000 1.010 420 T CB 0.889 69.759 68.868 0.004 0.000 1.022 420 T HN 0.865 nan 8.240 nan 0.000 0.466 421 T N 1.213 115.772 114.554 0.009 0.000 3.007 421 T HA 0.066 4.416 4.350 -0.000 0.000 0.270 421 T C 0.806 175.507 174.700 0.003 0.000 1.107 421 T CA 0.320 62.426 62.100 0.009 0.000 1.118 421 T CB -0.062 68.808 68.868 0.004 0.000 0.889 421 T HN 0.463 nan 8.240 nan 0.000 0.506 422 S N 3.057 118.755 115.700 -0.002 0.000 2.080 422 S HA 0.371 4.840 4.470 -0.000 0.000 0.162 422 S C -2.493 172.092 174.600 -0.025 0.000 1.618 422 S CA -1.218 56.967 58.200 -0.025 0.000 1.200 422 S CB 0.582 63.769 63.200 -0.021 0.000 1.135 422 S HN 0.427 nan 8.310 nan 0.000 0.455 423 P HA 0.197 nan 4.420 nan 0.000 0.272 423 P C -0.525 176.776 177.300 0.002 0.000 1.223 423 P CA -0.671 62.463 63.100 0.056 0.000 0.784 423 P CB 0.650 32.451 31.700 0.168 0.000 0.923 424 L N 3.615 124.877 121.223 0.065 0.000 2.278 424 L HA 0.145 4.484 4.340 -0.000 0.000 0.287 424 L C 0.612 177.617 176.870 0.226 0.000 1.072 424 L CA -0.164 54.714 54.840 0.063 0.000 0.819 424 L CB -0.323 41.767 42.059 0.052 0.000 1.176 424 L HN 0.202 nan 8.230 nan 0.000 0.435 425 Y N 3.866 124.255 120.300 0.147 0.000 2.571 425 Y HA 0.005 4.554 4.550 -0.001 0.000 0.294 425 Y C 2.179 178.153 175.900 0.123 0.000 1.141 425 Y CA 0.550 58.761 58.100 0.185 0.000 1.308 425 Y CB -1.127 37.467 38.460 0.223 0.000 1.002 425 Y HN 0.812 nan 8.280 nan 0.000 0.551 426 A N 0.322 123.273 122.820 0.219 0.000 1.902 426 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 426 A C 2.316 179.944 177.584 0.074 0.000 1.181 426 A CA 1.577 53.676 52.037 0.103 0.000 0.623 426 A CB -0.926 18.084 19.000 0.017 0.000 0.818 426 A HN 0.404 nan 8.150 nan 0.000 0.443 427 I N -0.438 120.188 120.570 0.092 0.000 2.142 427 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 427 I C 2.522 178.691 176.117 0.087 0.000 1.078 427 I CA 1.349 62.691 61.300 0.070 0.000 1.343 427 I CB -0.586 37.453 38.000 0.066 0.000 1.046 427 I HN 0.385 nan 8.210 nan 0.000 0.405 428 C N 0.864 120.258 119.300 0.157 0.000 2.413 428 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 428 C C 3.186 178.227 174.990 0.085 0.000 1.265 428 C CA 0.807 59.915 59.018 0.150 0.000 1.752 428 C CB -1.471 26.433 27.740 0.273 0.000 1.998 428 C HN 0.611 nan 8.230 nan 0.000 0.489 429 A N 1.498 124.368 122.820 0.082 0.000 1.902 429 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 429 A C 2.337 179.905 177.584 -0.026 0.000 1.181 429 A CA 2.428 54.498 52.037 0.056 0.000 0.623 429 A CB -0.941 18.116 19.000 0.096 0.000 0.818 429 A HN 0.714 nan 8.150 nan 0.000 0.443 430 S N 0.069 115.749 115.700 -0.033 0.000 2.399 430 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 430 S C 1.772 176.389 174.600 0.028 0.000 1.022 430 S CA 1.514 59.687 58.200 -0.044 0.000 0.983 430 S CB -0.626 62.557 63.200 -0.030 0.000 0.803 430 S HN 0.505 nan 8.310 nan 0.000 0.480 431 N N 2.092 120.825 118.700 0.055 0.000 2.244 431 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 431 N C 1.380 177.025 175.510 0.226 0.000 1.016 431 N CA 1.415 54.525 53.050 0.101 0.000 0.866 431 N CB -0.638 37.828 38.487 -0.035 0.000 0.980 431 N HN 0.573 nan 8.380 nan 0.000 0.430 432 D N -0.838 119.670 120.400 0.181 0.000 2.123 432 D HA -0.021 4.618 4.640 -0.000 0.000 0.200 432 D C 1.857 178.284 176.300 0.212 0.000 0.976 432 D CA 0.545 54.682 54.000 0.230 0.000 0.831 432 D CB 0.044 40.949 40.800 0.174 0.000 0.974 432 D HN -0.019 nan 8.370 nan 0.000 0.469 433 V N 0.730 120.709 119.914 0.108 0.000 2.427 433 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 433 V C 2.531 178.678 176.094 0.088 0.000 1.051 433 V CA 1.553 63.891 62.300 0.063 0.000 1.048 433 V CB -0.795 30.975 31.823 -0.087 0.000 0.666 433 V HN 0.300 nan 8.190 nan 0.000 0.456 434 A N -0.221 122.668 122.820 0.115 0.000 1.948 434 A HA -0.187 4.132 4.320 -0.000 0.000 0.220 434 A C 2.373 180.051 177.584 0.156 0.000 1.177 434 A CA 2.298 54.419 52.037 0.141 0.000 0.636 434 A CB -0.589 18.533 19.000 0.203 0.000 0.815 434 A HN 0.368 nan 8.150 nan 0.000 0.449 435 V N -0.756 119.275 119.914 0.194 0.000 2.407 435 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 435 V C 2.773 178.847 176.094 -0.034 0.000 1.041 435 V CA 2.033 64.418 62.300 0.142 0.000 1.040 435 V CB -0.549 31.322 31.823 0.079 0.000 0.671 435 V HN 0.690 nan 8.190 nan 0.000 0.455 436 S N -0.207 115.562 115.700 0.116 0.000 2.370 436 S HA -0.259 4.210 4.470 -0.000 0.000 0.226 436 S C 2.020 176.637 174.600 0.029 0.000 1.033 436 S CA 2.015 60.320 58.200 0.174 0.000 1.011 436 S CB -0.322 63.006 63.200 0.214 0.000 0.852 436 S HN 0.517 nan 8.310 nan 0.000 0.457 437 M N 0.161 119.752 119.600 -0.015 0.000 2.296 437 M HA 0.003 4.482 4.480 -0.000 0.000 0.265 437 M C 1.589 177.777 176.300 -0.186 0.000 1.064 437 M CA 1.011 56.273 55.300 -0.063 0.000 1.109 437 M CB -0.275 32.302 32.600 -0.039 0.000 1.396 437 M HN 0.370 nan 8.290 nan 0.000 0.430 438 M N -0.675 118.715 119.600 -0.349 0.000 2.502 438 M HA 0.112 4.592 4.480 -0.000 0.000 0.243 438 M C 0.102 176.008 176.300 -0.656 0.000 1.130 438 M CA 0.352 55.190 55.300 -0.770 0.000 1.055 438 M CB -1.140 30.575 32.600 -1.475 0.000 1.457 438 M HN -0.013 nan 8.290 nan 0.000 0.488 439 D N 1.267 121.467 120.400 -0.335 0.000 2.351 439 D HA 0.427 5.067 4.640 -0.000 0.000 0.251 439 D C 1.007 177.257 176.300 -0.083 0.000 1.137 439 D CA 1.416 55.312 54.000 -0.173 0.000 0.879 439 D CB 0.782 41.573 40.800 -0.015 0.000 1.181 439 D HN 0.453 nan 8.370 nan 0.000 0.448 440 G N 4.511 113.285 108.800 -0.044 0.000 2.552 440 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.265 440 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.265 440 G C 1.104 175.994 174.900 -0.017 0.000 1.234 440 G CA 0.239 45.333 45.100 -0.010 0.000 0.944 440 G HN 0.568 nan 8.290 nan 0.000 0.568 441 N N 1.037 119.736 118.700 -0.003 0.000 2.137 441 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 441 N C 2.667 178.173 175.510 -0.005 0.000 1.017 441 N CA 2.429 55.482 53.050 0.005 0.000 0.859 441 N CB -0.540 37.960 38.487 0.022 0.000 1.002 441 N HN 0.989 nan 8.380 nan 0.000 0.428 442 S N -0.579 115.108 115.700 -0.021 0.000 2.402 442 S HA -0.009 4.461 4.470 -0.000 0.000 0.229 442 S C 2.163 176.716 174.600 -0.078 0.000 1.021 442 S CA 1.028 59.207 58.200 -0.034 0.000 0.974 442 S CB -0.880 62.303 63.200 -0.028 0.000 0.800 442 S HN 0.351 nan 8.310 nan 0.000 0.484 443 G N 2.134 110.848 108.800 -0.144 0.000 2.446 443 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.217 443 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.217 443 G C 1.356 176.236 174.900 -0.034 0.000 1.168 443 G CA 1.091 46.054 45.100 -0.227 0.000 0.771 443 G HN 0.474 nan 8.290 nan 0.000 0.551 444 L N 0.967 122.199 121.223 0.015 0.000 1.994 444 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 444 L C 2.907 179.789 176.870 0.020 0.000 1.071 444 L CA 2.611 57.476 54.840 0.041 0.000 0.745 444 L CB -1.015 41.064 42.059 0.033 0.000 0.892 444 L HN 0.228 nan 8.230 nan 0.000 0.431 445 S N -0.919 114.784 115.700 0.005 0.000 2.359 445 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 445 S C 2.047 176.648 174.600 0.002 0.000 1.035 445 S CA 1.893 60.095 58.200 0.004 0.000 1.018 445 S CB -0.455 62.748 63.200 0.005 0.000 0.876 445 S HN 0.467 nan 8.310 nan 0.000 0.448 446 L N 0.989 122.207 121.223 -0.008 0.000 2.056 446 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 446 L C 2.955 179.823 176.870 -0.003 0.000 1.078 446 L CA 1.693 56.528 54.840 -0.009 0.000 0.749 446 L CB -1.064 40.977 42.059 -0.029 0.000 0.901 446 L HN 0.510 nan 8.230 nan 0.000 0.433 447 T N -3.782 110.780 114.554 0.013 0.000 2.821 447 T HA -0.228 4.121 4.350 -0.000 0.000 0.267 447 T C 1.831 176.541 174.700 0.016 0.000 1.046 447 T CA 1.024 63.143 62.100 0.032 0.000 1.139 447 T CB -0.251 68.695 68.868 0.130 0.000 0.871 447 T HN 0.097 nan 8.240 nan 0.000 0.454 448 Q N 1.609 121.416 119.800 0.011 0.000 2.124 448 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 448 Q C 2.184 178.180 176.000 -0.007 0.000 0.977 448 Q CA 1.847 57.645 55.803 -0.008 0.000 0.850 448 Q CB -0.455 28.279 28.738 -0.006 0.000 0.901 448 Q HN 0.796 nan 8.270 nan 0.000 0.429 449 E N -1.205 119.000 120.200 0.009 0.000 2.106 449 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 449 E C 1.661 178.287 176.600 0.043 0.000 0.984 449 E CA 1.204 57.621 56.400 0.029 0.000 0.806 449 E CB 0.199 29.920 29.700 0.035 0.000 0.750 449 E HN 0.287 nan 8.360 nan 0.000 0.458 450 V N 1.119 121.046 119.914 0.022 0.000 2.358 450 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 450 V C 2.344 178.429 176.094 -0.015 0.000 1.047 450 V CA 1.403 63.726 62.300 0.039 0.000 1.035 450 V CB -0.404 31.407 31.823 -0.021 0.000 0.658 450 V HN 0.302 nan 8.190 nan 0.000 0.452 451 I N 0.339 120.872 120.570 -0.063 0.000 2.179 451 I HA -0.215 3.954 4.170 -0.000 0.000 0.242 451 I C 2.341 178.394 176.117 -0.106 0.000 1.088 451 I CA 1.597 62.818 61.300 -0.133 0.000 1.357 451 I CB -0.489 37.418 38.000 -0.154 0.000 1.051 451 I HN 0.290 nan 8.210 nan 0.000 0.409 452 D N 0.651 121.024 120.400 -0.045 0.000 2.123 452 D HA -0.181 4.458 4.640 -0.000 0.000 0.196 452 D C 2.165 178.468 176.300 0.004 0.000 0.992 452 D CA 1.132 55.124 54.000 -0.014 0.000 0.833 452 D CB -0.251 40.561 40.800 0.019 0.000 0.954 452 D HN 0.281 nan 8.370 nan 0.000 0.455 453 E N 0.464 120.701 120.200 0.062 0.000 2.072 453 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 453 E C 2.093 178.614 176.600 -0.131 0.000 0.985 453 E CA 0.795 57.305 56.400 0.183 0.000 0.801 453 E CB -0.258 29.694 29.700 0.420 0.000 0.750 453 E HN 0.215 nan 8.360 nan 0.000 0.452 454 A N 0.941 123.505 122.820 -0.426 0.000 1.898 454 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 454 A C 2.612 179.935 177.584 -0.434 0.000 1.181 454 A CA 1.384 52.851 52.037 -0.950 0.000 0.620 454 A CB -0.676 17.837 19.000 -0.812 0.000 0.819 454 A HN 0.129 nan 8.150 nan 0.000 0.442 455 V N 0.731 120.512 119.914 -0.222 0.000 2.343 455 V HA -0.254 3.865 4.120 -0.000 0.000 0.247 455 V C 2.168 178.153 176.094 -0.182 0.000 1.051 455 V CA 2.334 64.592 62.300 -0.070 0.000 1.036 455 V CB -0.841 30.986 31.823 0.007 0.000 0.654 455 V HN 0.490 nan 8.190 nan 0.000 0.451 456 D N -0.528 119.712 120.400 -0.267 0.000 2.149 456 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 456 D C 1.860 177.629 176.300 -0.884 0.000 0.990 456 D CA 1.207 54.973 54.000 -0.390 0.000 0.839 456 D CB -0.301 40.414 40.800 -0.141 0.000 0.948 456 D HN 0.446 nan 8.370 nan 0.000 0.460 457 F N 1.921 121.094 119.950 -1.295 0.000 2.146 457 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 457 F C 2.225 177.755 175.800 -0.451 0.000 1.096 457 F CA 1.295 58.614 58.000 -1.134 0.000 1.275 457 F CB -0.177 38.474 39.000 -0.581 0.000 1.008 457 F HN -0.195 nan 8.300 nan 0.000 0.480 458 R N -0.089 120.184 120.500 -0.379 0.000 2.073 458 R HA -0.164 4.175 4.340 -0.000 0.000 0.234 458 R C 2.314 178.618 176.300 0.006 0.000 1.134 458 R CA 1.843 57.814 56.100 -0.214 0.000 0.952 458 R CB -0.627 29.715 30.300 0.068 0.000 0.850 458 R HN 0.428 nan 8.270 nan 0.000 0.433 459 Q N 0.094 119.923 119.800 0.050 0.000 2.050 459 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 459 Q C 2.293 178.284 176.000 -0.015 0.000 0.980 459 Q CA 1.535 57.349 55.803 0.018 0.000 0.840 459 Q CB -0.220 28.429 28.738 -0.148 0.000 0.898 459 Q HN 0.364 nan 8.270 nan 0.000 0.424 460 A N 1.081 123.839 122.820 -0.103 0.000 1.903 460 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 460 A C 2.056 179.687 177.584 0.079 0.000 1.191 460 A CA 1.783 53.825 52.037 0.008 0.000 0.638 460 A CB -0.489 18.529 19.000 0.029 0.000 0.823 460 A HN 0.284 nan 8.150 nan 0.000 0.451 461 M N -0.935 118.657 119.600 -0.013 0.000 2.254 461 M HA -0.018 4.462 4.480 -0.000 0.000 0.265 461 M C 2.497 178.923 176.300 0.210 0.000 1.066 461 M CA 1.357 56.723 55.300 0.109 0.000 1.123 461 M CB -1.420 31.083 32.600 -0.162 0.000 1.388 461 M HN 0.508 nan 8.290 nan 0.000 0.425 462 A N 0.663 123.563 122.820 0.134 0.000 1.873 462 A HA -0.160 4.159 4.320 -0.000 0.000 0.215 462 A C 2.325 180.051 177.584 0.236 0.000 1.186 462 A CA 1.536 53.694 52.037 0.202 0.000 0.616 462 A CB -0.591 18.565 19.000 0.260 0.000 0.823 462 A HN 0.394 nan 8.150 nan 0.000 0.442 463 R N -0.524 120.070 120.500 0.157 0.000 2.083 463 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 463 R C 2.056 178.423 176.300 0.111 0.000 1.137 463 R CA 1.687 57.852 56.100 0.108 0.000 0.951 463 R CB -0.526 29.811 30.300 0.061 0.000 0.851 463 R HN 0.519 nan 8.270 nan 0.000 0.434 464 L N -1.036 120.283 121.223 0.159 0.000 2.109 464 L HA -0.169 4.170 4.340 -0.000 0.000 0.207 464 L C 2.286 179.297 176.870 0.236 0.000 1.086 464 L CA 0.973 55.878 54.840 0.108 0.000 0.760 464 L CB -0.415 41.700 42.059 0.094 0.000 0.910 464 L HN 0.221 nan 8.230 nan 0.000 0.437 465 Y N 1.068 121.557 120.300 0.315 0.000 2.145 465 Y HA -0.312 4.238 4.550 -0.000 0.000 0.286 465 Y C 2.678 178.710 175.900 0.220 0.000 1.145 465 Y CA 1.826 60.147 58.100 0.370 0.000 1.148 465 Y CB -0.122 38.523 38.460 0.308 0.000 0.981 465 Y HN -0.026 nan 8.280 nan 0.000 0.507 466 K N 0.271 120.747 120.400 0.128 0.000 2.032 466 K HA -0.279 4.041 4.320 -0.000 0.000 0.209 466 K C 2.293 178.847 176.600 -0.078 0.000 1.048 466 K CA 1.963 58.252 56.287 0.005 0.000 0.927 466 K CB -0.317 32.237 32.500 0.090 0.000 0.712 466 K HN 0.522 nan 8.250 nan 0.000 0.441 467 E N -0.437 119.718 120.200 -0.076 0.000 2.038 467 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 467 E C 1.881 178.338 176.600 -0.237 0.000 1.000 467 E CA 1.496 57.788 56.400 -0.180 0.000 0.803 467 E CB -0.151 29.389 29.700 -0.267 0.000 0.750 467 E HN 0.307 nan 8.360 nan 0.000 0.448 468 F N 0.534 120.346 119.950 -0.230 0.000 2.171 468 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 468 F C 2.642 178.312 175.800 -0.217 0.000 1.090 468 F CA 1.494 59.347 58.000 -0.245 0.000 1.293 468 F CB -0.185 38.635 39.000 -0.300 0.000 1.013 468 F HN 0.063 nan 8.300 nan 0.000 0.486 469 T N -0.643 113.841 114.554 -0.118 0.000 2.915 469 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 469 T C 2.088 176.736 174.700 -0.087 0.000 1.071 469 T CA 1.008 63.004 62.100 -0.173 0.000 1.132 469 T CB -0.350 68.265 68.868 -0.421 0.000 0.878 469 T HN 0.291 nan 8.240 nan 0.000 0.479 470 A N 1.129 123.897 122.820 -0.086 0.000 2.119 470 A HA 0.010 4.329 4.320 -0.000 0.000 0.217 470 A C 1.649 179.203 177.584 -0.051 0.000 1.153 470 A CA 1.060 53.060 52.037 -0.061 0.000 0.692 470 A CB -0.256 18.704 19.000 -0.066 0.000 0.799 470 A HN 0.342 nan 8.150 nan 0.000 0.458 471 D N -1.036 119.331 120.400 -0.055 0.000 2.328 471 D HA 0.339 4.978 4.640 -0.000 0.000 0.221 471 D C 1.090 177.394 176.300 0.006 0.000 1.072 471 D CA 0.979 54.957 54.000 -0.036 0.000 0.850 471 D CB 0.083 40.846 40.800 -0.062 0.000 0.922 471 D HN 0.456 nan 8.370 nan 0.000 0.516 472 G N 0.676 109.485 108.800 0.014 0.000 2.295 472 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.287 472 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.287 472 G C 0.175 175.123 174.900 0.081 0.000 1.055 472 G CA 0.553 45.678 45.100 0.041 0.000 0.922 472 G HN 0.353 nan 8.290 nan 0.000 0.503 473 S N -0.554 115.205 115.700 0.098 0.000 2.570 473 S HA 0.774 5.244 4.470 -0.000 0.000 0.286 473 S C 0.169 174.837 174.600 0.113 0.000 1.099 473 S CA -0.468 57.812 58.200 0.133 0.000 0.913 473 S CB 1.032 64.328 63.200 0.159 0.000 1.085 473 S HN 0.977 nan 8.310 nan 0.000 0.480 474 W N 3.546 124.854 121.300 0.014 0.000 2.283 474 W HA 0.740 5.400 4.660 -0.000 0.000 0.341 474 W C -1.568 174.922 176.519 -0.049 0.000 1.206 474 W CA -0.850 56.477 57.345 -0.030 0.000 1.294 474 W CB 0.180 29.592 29.460 -0.080 0.000 1.154 474 W HN 0.524 nan 8.180 nan 0.000 0.613 475 F N 0.688 120.570 119.950 -0.112 0.000 2.711 475 F HA 0.514 5.040 4.527 -0.000 0.000 0.313 475 F C -1.175 174.711 175.800 0.143 0.000 1.141 475 F CA -2.442 55.351 58.000 -0.344 0.000 0.941 475 F CB 1.091 39.905 39.000 -0.309 0.000 1.349 475 F HN 0.185 nan 8.300 nan 0.000 0.464 476 F N 2.406 122.022 119.950 -0.556 0.000 2.450 476 F HA 0.436 4.963 4.527 -0.000 0.000 0.339 476 F C 0.048 175.776 175.800 -0.119 0.000 1.146 476 F CA -0.071 57.749 58.000 -0.299 0.000 1.267 476 F CB 0.637 39.342 39.000 -0.492 0.000 1.178 476 F HN 0.272 nan 8.300 nan 0.000 0.585 477 K N 2.140 122.525 120.400 -0.024 0.000 2.426 477 K HA 0.605 4.925 4.320 -0.000 0.000 0.251 477 K C -3.294 173.222 176.600 -0.140 0.000 0.941 477 K CA -2.232 53.925 56.287 -0.217 0.000 0.808 477 K CB 2.123 34.154 32.500 -0.781 0.000 1.265 477 K HN 0.143 nan 8.250 nan 0.000 0.432 478 P HA -0.036 nan 4.420 nan 0.000 0.275 478 P C -1.146 176.085 177.300 -0.115 0.000 1.228 478 P CA -0.172 62.826 63.100 -0.170 0.000 0.786 478 P CB 0.365 31.878 31.700 -0.312 0.000 0.927 479 W N 5.917 127.103 121.300 -0.191 0.000 2.422 479 W HA 0.257 4.916 4.660 -0.000 0.000 0.349 479 W C -0.471 175.988 176.519 -0.100 0.000 1.062 479 W CA 0.274 57.555 57.345 -0.107 0.000 1.497 479 W CB -0.798 28.635 29.460 -0.045 0.000 1.407 479 W HN 0.485 nan 8.180 nan 0.000 0.393 480 N N 2.354 120.685 118.700 -0.615 0.000 3.179 480 N HA 0.224 4.964 4.740 -0.000 0.000 0.250 480 N C -1.602 172.898 175.510 -1.683 0.000 1.507 480 N CA -1.270 51.098 53.050 -1.136 0.000 0.883 480 N CB 0.715 38.601 38.487 -1.002 0.000 1.435 480 N HN 0.137 nan 8.380 nan 0.000 0.532 481 K N -0.080 119.014 120.400 -2.177 0.000 2.484 481 K HA 0.016 4.335 4.320 -0.000 0.000 0.280 481 K C 0.052 176.098 176.600 -0.924 0.000 1.013 481 K CA 0.351 55.479 56.287 -1.933 0.000 1.029 481 K CB 0.354 32.123 32.500 -1.217 0.000 0.902 481 K HN 0.593 nan 8.250 nan 0.000 0.481 482 E N 1.746 121.602 120.200 -0.574 0.000 2.060 482 E HA -0.029 4.321 4.350 -0.000 0.000 0.189 482 E C -0.194 176.355 176.600 -0.084 0.000 0.974 482 E CA 0.493 56.762 56.400 -0.219 0.000 0.808 482 E CB 0.391 30.043 29.700 -0.081 0.000 0.768 482 E HN 0.223 nan 8.360 nan 0.000 0.453 483 V N 2.009 121.875 119.914 -0.079 0.000 2.448 483 V HA 0.285 4.404 4.120 -0.000 0.000 0.295 483 V C -0.379 175.694 176.094 -0.035 0.000 1.025 483 V CA -0.665 61.623 62.300 -0.020 0.000 0.859 483 V CB 1.988 33.816 31.823 0.007 0.000 0.988 483 V HN -0.080 nan 8.190 nan 0.000 0.431 484 V N 3.790 123.696 119.914 -0.012 0.000 2.815 484 V HA 0.675 4.795 4.120 -0.000 0.000 0.314 484 V C -0.002 176.124 176.094 0.054 0.000 1.064 484 V CA -0.236 62.049 62.300 -0.026 0.000 0.952 484 V CB 2.817 34.584 31.823 -0.093 0.000 1.020 484 V HN 0.973 nan 8.190 nan 0.000 0.439 485 T N 2.320 116.902 114.554 0.047 0.000 2.848 485 T HA 0.287 4.636 4.350 -0.000 0.000 0.285 485 T C -0.894 173.857 174.700 0.086 0.000 0.995 485 T CA -0.443 61.698 62.100 0.068 0.000 0.970 485 T CB 1.348 70.236 68.868 0.032 0.000 0.976 485 T HN 0.714 nan 8.240 nan 0.000 0.441 486 D N 3.936 124.419 120.400 0.138 0.000 2.343 486 D HA 0.162 4.802 4.640 -0.000 0.000 0.255 486 D C -1.210 175.126 176.300 0.059 0.000 1.187 486 D CA -2.158 51.908 54.000 0.110 0.000 0.875 486 D CB 1.481 42.392 40.800 0.185 0.000 1.136 486 D HN 0.138 nan 8.370 nan 0.000 0.469 487 P HA -0.054 nan 4.420 nan 0.000 0.236 487 P C 0.804 178.119 177.300 0.025 0.000 1.177 487 P CA 0.842 63.962 63.100 0.033 0.000 0.773 487 P CB 0.673 32.394 31.700 0.035 0.000 0.878 488 Q N -0.050 119.766 119.800 0.026 0.000 2.084 488 Q HA 0.017 4.357 4.340 -0.000 0.000 0.194 488 Q C 1.468 177.478 176.000 0.017 0.000 0.969 488 Q CA 1.133 56.948 55.803 0.019 0.000 0.829 488 Q CB -0.533 28.216 28.738 0.018 0.000 0.904 488 Q HN 0.272 nan 8.270 nan 0.000 0.464 489 T N -2.441 112.127 114.554 0.024 0.000 2.689 489 T HA 0.224 4.574 4.350 -0.000 0.000 0.308 489 T C 0.990 175.695 174.700 0.008 0.000 1.021 489 T CA -0.030 62.079 62.100 0.016 0.000 0.973 489 T CB 0.938 69.822 68.868 0.027 0.000 1.113 489 T HN 0.260 nan 8.240 nan 0.000 0.522 490 G N -0.834 107.960 108.800 -0.011 0.000 3.453 490 G HA2 0.209 4.169 3.960 -0.000 0.000 0.263 490 G HA3 0.209 4.169 3.960 -0.000 0.000 0.263 490 G C 0.214 175.086 174.900 -0.048 0.000 1.060 490 G CA -0.492 44.596 45.100 -0.020 0.000 0.793 490 G HN 0.826 nan 8.290 nan 0.000 0.532 491 K N 0.899 121.260 120.400 -0.065 0.000 2.350 491 K HA 0.344 4.663 4.320 -0.000 0.000 0.279 491 K C -0.440 175.996 176.600 -0.273 0.000 1.027 491 K CA 0.095 56.264 56.287 -0.197 0.000 0.969 491 K CB 0.476 32.837 32.500 -0.231 0.000 0.954 491 K HN -0.019 nan 8.250 nan 0.000 0.474 492 T N 3.413 117.736 114.554 -0.386 0.000 2.829 492 T HA 0.421 4.770 4.350 -0.000 0.000 0.282 492 T C -1.460 172.934 174.700 -0.509 0.000 0.990 492 T CA -0.286 61.642 62.100 -0.287 0.000 1.028 492 T CB 0.282 69.057 68.868 -0.155 0.000 0.951 492 T HN 0.389 nan 8.240 nan 0.000 0.460 493 Y N 1.003 121.269 120.300 -0.057 0.000 2.457 493 Y HA 0.330 4.880 4.550 -0.000 0.000 0.343 493 Y C 0.404 176.266 175.900 -0.062 0.000 0.994 493 Y CA -1.380 56.681 58.100 -0.066 0.000 1.031 493 Y CB 1.248 39.650 38.460 -0.098 0.000 1.246 493 Y HN 0.523 nan 8.280 nan 0.000 0.449 494 D N 1.395 121.859 120.400 0.108 0.000 2.362 494 D HA -0.073 4.567 4.640 -0.000 0.000 0.238 494 D C 0.829 177.168 176.300 0.066 0.000 1.212 494 D CA 0.282 54.328 54.000 0.078 0.000 0.902 494 D CB 0.714 41.559 40.800 0.074 0.000 1.180 494 D HN 0.585 nan 8.370 nan 0.000 0.445 495 F N 1.506 121.399 119.950 -0.095 0.000 2.095 495 F HA -0.202 4.324 4.527 -0.000 0.000 0.298 495 F C 2.211 177.940 175.800 -0.118 0.000 1.104 495 F CA 1.946 59.849 58.000 -0.162 0.000 1.232 495 F CB -0.173 38.684 39.000 -0.238 0.000 0.987 495 F HN 0.420 nan 8.300 nan 0.000 0.475 496 A N -0.292 122.559 122.820 0.052 0.000 1.978 496 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 496 A C 1.730 179.257 177.584 -0.096 0.000 1.170 496 A CA 2.110 54.141 52.037 -0.010 0.000 0.636 496 A CB -0.780 18.264 19.000 0.074 0.000 0.810 496 A HN 0.516 nan 8.150 nan 0.000 0.448 497 D N -0.306 120.051 120.400 -0.071 0.000 2.367 497 D HA 0.299 4.939 4.640 -0.000 0.000 0.207 497 D C 0.882 177.079 176.300 -0.172 0.000 1.034 497 D CA 0.696 54.665 54.000 -0.052 0.000 0.861 497 D CB -0.300 40.540 40.800 0.067 0.000 0.943 497 D HN 0.420 nan 8.370 nan 0.000 0.515 498 A N 2.310 124.945 122.820 -0.308 0.000 2.498 498 A HA 0.295 4.614 4.320 -0.000 0.000 0.239 498 A C -2.238 175.011 177.584 -0.557 0.000 1.068 498 A CA -0.773 50.910 52.037 -0.590 0.000 0.766 498 A CB -0.167 18.515 19.000 -0.531 0.000 1.003 498 A HN -0.108 nan 8.150 nan 0.000 0.497 499 P HA 0.058 nan 4.420 nan 0.000 0.267 499 P C 1.209 178.313 177.300 -0.325 0.000 1.205 499 P CA 0.521 63.380 63.100 -0.402 0.000 0.765 499 P CB 0.609 32.086 31.700 -0.372 0.000 0.828 500 T N 0.965 115.373 114.554 -0.243 0.000 2.833 500 T HA -0.183 4.166 4.350 -0.000 0.000 0.269 500 T C 1.610 176.222 174.700 -0.147 0.000 1.054 500 T CA 0.961 62.938 62.100 -0.205 0.000 1.135 500 T CB -0.503 68.275 68.868 -0.149 0.000 0.869 500 T HN 0.232 nan 8.240 nan 0.000 0.466 501 K N 0.160 120.483 120.400 -0.128 0.000 2.209 501 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 501 K C 2.157 178.705 176.600 -0.085 0.000 1.048 501 K CA 1.047 57.280 56.287 -0.090 0.000 0.940 501 K CB -0.345 32.107 32.500 -0.080 0.000 0.729 501 K HN 0.415 nan 8.250 nan 0.000 0.451 502 L N 1.125 122.270 121.223 -0.131 0.000 2.072 502 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 502 L C 1.953 178.778 176.870 -0.075 0.000 1.079 502 L CA 1.383 56.155 54.840 -0.114 0.000 0.752 502 L CB -0.304 41.644 42.059 -0.184 0.000 0.906 502 L HN 0.090 nan 8.230 nan 0.000 0.436 503 L N -0.638 120.513 121.223 -0.119 0.000 2.141 503 L HA -0.137 4.202 4.340 -0.000 0.000 0.209 503 L C 2.222 179.232 176.870 0.233 0.000 1.094 503 L CA 1.625 56.453 54.840 -0.020 0.000 0.763 503 L CB -1.019 40.928 42.059 -0.186 0.000 0.908 503 L HN 0.524 nan 8.230 nan 0.000 0.437 504 T N -5.845 108.755 114.554 0.077 0.000 3.081 504 T HA 0.008 4.358 4.350 -0.000 0.000 0.250 504 T C 1.339 176.037 174.700 -0.003 0.000 1.100 504 T CA 0.779 62.900 62.100 0.035 0.000 1.038 504 T CB -0.012 68.842 68.868 -0.023 0.000 0.962 504 T HN 0.401 nan 8.240 nan 0.000 0.516 505 T N -1.801 112.767 114.554 0.023 0.000 3.009 505 T HA 0.383 4.733 4.350 -0.000 0.000 0.267 505 T C 0.120 174.833 174.700 0.021 0.000 0.942 505 T CA -0.232 61.865 62.100 -0.005 0.000 0.883 505 T CB 0.154 69.012 68.868 -0.016 0.000 1.192 505 T HN 0.143 nan 8.240 nan 0.000 0.524 506 V N 3.055 123.010 119.914 0.068 0.000 2.328 506 V HA 0.362 4.481 4.120 -0.000 0.000 0.278 506 V C 1.499 177.683 176.094 0.150 0.000 1.021 506 V CA -0.548 61.797 62.300 0.074 0.000 0.838 506 V CB 1.305 33.152 31.823 0.040 0.000 0.999 506 V HN 0.431 nan 8.190 nan 0.000 0.447 507 Q N 3.085 122.953 119.800 0.114 0.000 2.112 507 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 507 Q C 1.596 177.707 176.000 0.184 0.000 0.987 507 Q CA 2.610 58.497 55.803 0.140 0.000 0.858 507 Q CB 0.061 28.831 28.738 0.054 0.000 0.905 507 Q HN 0.943 nan 8.270 nan 0.000 0.420 508 D N -0.705 119.768 120.400 0.121 0.000 2.221 508 D HA -0.163 4.476 4.640 -0.000 0.000 0.204 508 D C 1.377 177.693 176.300 0.026 0.000 0.982 508 D CA 1.270 55.336 54.000 0.110 0.000 0.857 508 D CB -0.155 40.731 40.800 0.142 0.000 0.934 508 D HN 0.403 nan 8.370 nan 0.000 0.475 509 C N -0.534 118.718 119.300 -0.080 0.000 2.413 509 C HA -0.071 4.388 4.460 -0.000 0.000 0.292 509 C C 1.486 175.985 174.990 -0.819 0.000 1.435 509 C CA 0.316 59.069 59.018 -0.441 0.000 1.791 509 C CB -1.643 25.750 27.740 -0.578 0.000 1.784 509 C HN 0.564 nan 8.230 nan 0.000 0.548 510 W N -1.866 119.392 121.300 -0.069 0.000 2.773 510 W HA 0.359 5.019 4.660 -0.000 0.000 0.297 510 W C 0.611 177.149 176.519 0.030 0.000 1.050 510 W CA -0.217 57.088 57.345 -0.066 0.000 1.467 510 W CB -0.592 28.811 29.460 -0.094 0.000 0.977 510 W HN -0.280 nan 8.180 nan 0.000 0.573 511 V N 3.073 123.049 119.914 0.103 0.000 2.694 511 V HA -0.115 4.005 4.120 -0.000 0.000 0.306 511 V C 0.518 176.573 176.094 -0.065 0.000 1.054 511 V CA 0.515 62.791 62.300 -0.040 0.000 1.161 511 V CB 0.290 31.995 31.823 -0.197 0.000 0.916 511 V HN 0.005 nan 8.190 nan 0.000 0.490 512 M N 6.119 125.691 119.600 -0.047 0.000 2.319 512 M HA 0.292 4.772 4.480 -0.000 0.000 0.343 512 M C -0.275 175.969 176.300 -0.094 0.000 1.364 512 M CA -0.098 55.130 55.300 -0.120 0.000 1.292 512 M CB -0.140 32.178 32.600 -0.470 0.000 1.432 512 M HN 0.620 nan 8.290 nan 0.000 0.448 513 H N 3.849 123.059 119.070 0.234 0.000 2.525 513 H HA 0.336 4.892 4.556 -0.000 0.000 0.339 513 H C -2.182 173.280 175.328 0.222 0.000 1.109 513 H CA -2.015 54.145 56.048 0.187 0.000 1.352 513 H CB 0.450 30.316 29.762 0.174 0.000 1.461 513 H HN 0.372 nan 8.280 nan 0.000 0.533 514 P HA 0.039 nan 4.420 nan 0.000 0.268 514 P C 0.900 178.285 177.300 0.143 0.000 1.205 514 P CA 0.675 63.879 63.100 0.174 0.000 0.771 514 P CB 0.890 32.641 31.700 0.086 0.000 0.858 515 G N 2.193 111.050 108.800 0.095 0.000 2.258 515 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.233 515 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.233 515 G C -0.026 174.887 174.900 0.022 0.000 1.006 515 G CA -0.279 44.850 45.100 0.049 0.000 0.620 515 G HN 0.572 nan 8.290 nan 0.000 0.511 516 E N 1.377 121.592 120.200 0.026 0.000 2.257 516 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 516 E C 1.490 177.847 176.600 -0.405 0.000 1.049 516 E CA 0.286 56.654 56.400 -0.053 0.000 0.876 516 E CB 0.894 30.663 29.700 0.114 0.000 1.035 516 E HN 0.451 nan 8.360 nan 0.000 0.419 517 S N 4.630 120.213 115.700 -0.196 0.000 2.496 517 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 517 S C 1.596 176.044 174.600 -0.255 0.000 0.996 517 S CA -0.277 57.784 58.200 -0.232 0.000 0.927 517 S CB -0.223 62.935 63.200 -0.070 0.000 0.774 517 S HN 0.813 nan 8.310 nan 0.000 0.524 518 W N 3.770 124.928 121.300 -0.236 0.000 2.358 518 W HA -0.192 4.468 4.660 -0.000 0.000 0.303 518 W C 1.818 178.347 176.519 0.018 0.000 1.208 518 W CA 1.364 58.645 57.345 -0.106 0.000 1.274 518 W CB -1.527 27.827 29.460 -0.177 0.000 1.138 518 W HN 0.662 nan 8.180 nan 0.000 0.515 519 H N -0.669 117.771 119.070 -1.049 0.000 2.403 519 H HA 0.251 4.807 4.556 -0.000 0.000 0.298 519 H C 2.101 177.012 175.328 -0.696 0.000 1.059 519 H CA 1.121 56.611 56.048 -0.931 0.000 1.363 519 H CB -1.206 27.732 29.762 -1.373 0.000 1.410 519 H HN 0.197 nan 8.280 nan 0.000 0.528 520 G N -0.337 108.165 108.800 -0.498 0.000 2.143 520 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 520 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 520 G C -0.443 174.312 174.900 -0.240 0.000 0.991 520 G CA 0.182 45.080 45.100 -0.336 0.000 0.689 520 G HN 0.349 nan 8.290 nan 0.000 0.522 521 F N 1.461 121.629 119.950 0.363 0.000 2.406 521 F HA 0.422 4.949 4.527 -0.000 0.000 0.358 521 F C 0.967 176.926 175.800 0.265 0.000 1.161 521 F CA -1.236 56.926 58.000 0.272 0.000 1.185 521 F CB 0.817 39.941 39.000 0.207 0.000 1.421 521 F HN 0.107 nan 8.300 nan 0.000 0.576 522 K N 3.666 124.257 120.400 0.320 0.000 2.491 522 K HA -0.089 4.231 4.320 -0.000 0.000 0.279 522 K C 0.392 177.150 176.600 0.263 0.000 1.026 522 K CA 0.589 57.008 56.287 0.220 0.000 1.070 522 K CB 0.129 32.711 32.500 0.138 0.000 0.887 522 K HN 0.649 nan 8.250 nan 0.000 0.481 523 D N 2.021 122.513 120.400 0.153 0.000 2.983 523 D HA -0.274 4.366 4.640 -0.000 0.000 0.225 523 D C 0.195 176.425 176.300 -0.116 0.000 1.174 523 D CA 0.945 54.984 54.000 0.065 0.000 0.831 523 D CB -1.230 39.625 40.800 0.091 0.000 1.104 523 D HN 0.649 nan 8.370 nan 0.000 0.421 524 I N 0.910 121.383 120.570 -0.161 0.000 2.826 524 I HA -0.004 4.165 4.170 -0.000 0.000 0.295 524 I C -1.732 174.171 176.117 -0.357 0.000 1.213 524 I CA -0.724 60.230 61.300 -0.576 0.000 1.436 524 I CB 0.707 38.574 38.000 -0.222 0.000 1.348 524 I HN -0.232 nan 8.210 nan 0.000 0.570 525 P HA 0.064 nan 4.420 nan 0.000 0.270 525 P C -1.058 176.206 177.300 -0.060 0.000 1.223 525 P CA -0.207 62.750 63.100 -0.239 0.000 0.785 525 P CB 0.419 31.908 31.700 -0.351 0.000 0.923 526 D N 0.838 121.254 120.400 0.026 0.000 2.358 526 D HA 0.029 4.669 4.640 -0.000 0.000 0.244 526 D C 0.690 177.099 176.300 0.182 0.000 1.163 526 D CA 0.093 54.177 54.000 0.140 0.000 0.945 526 D CB -0.107 40.781 40.800 0.147 0.000 1.152 526 D HN 0.434 nan 8.370 nan 0.000 0.451 527 N N 0.741 119.580 118.700 0.230 0.000 2.696 527 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 527 N C -0.088 175.589 175.510 0.279 0.000 1.090 527 N CA 1.232 54.419 53.050 0.228 0.000 0.716 527 N CB -1.239 37.362 38.487 0.191 0.000 1.020 527 N HN 0.622 nan 8.380 nan 0.000 0.548 528 W N -0.480 120.831 121.300 0.018 0.000 2.798 528 W HA 0.258 4.917 4.660 -0.001 0.000 0.260 528 W C 0.091 176.618 176.519 0.014 0.000 1.165 528 W CA 0.845 58.184 57.345 -0.009 0.000 1.501 528 W CB 0.022 29.443 29.460 -0.065 0.000 1.023 528 W HN 0.276 nan 8.180 nan 0.000 0.615 529 S N 0.310 116.025 115.700 0.025 0.000 2.588 529 S HA 0.669 5.138 4.470 -0.000 0.000 0.275 529 S C -0.681 173.960 174.600 0.068 0.000 1.130 529 S CA -0.919 57.253 58.200 -0.047 0.000 0.855 529 S CB 2.004 65.034 63.200 -0.284 0.000 1.116 529 S HN 0.192 nan 8.310 nan 0.000 0.472 530 M N 0.614 120.257 119.600 0.072 0.000 2.727 530 M HA 0.822 5.302 4.480 -0.000 0.000 0.300 530 M C -1.577 174.803 176.300 0.132 0.000 1.246 530 M CA -1.110 54.233 55.300 0.071 0.000 0.835 530 M CB 1.413 33.953 32.600 -0.099 0.000 1.755 530 M HN 0.620 nan 8.290 nan 0.000 0.473 531 L N 1.602 122.982 121.223 0.261 0.000 2.289 531 L HA 0.474 4.814 4.340 -0.000 0.000 0.285 531 L C -0.825 176.127 176.870 0.137 0.000 1.049 531 L CA 0.145 55.141 54.840 0.260 0.000 0.804 531 L CB 1.154 43.424 42.059 0.351 0.000 1.195 531 L HN 0.745 nan 8.230 nan 0.000 0.428 532 D N 6.320 126.781 120.400 0.102 0.000 2.371 532 D HA 0.158 4.797 4.640 -0.000 0.000 0.256 532 D C -1.823 174.350 176.300 -0.212 0.000 1.193 532 D CA -1.773 52.265 54.000 0.064 0.000 0.881 532 D CB 1.809 42.755 40.800 0.244 0.000 1.143 532 D HN 0.413 nan 8.370 nan 0.000 0.473 533 P HA -0.117 nan 4.420 nan 0.000 0.217 533 P C 1.449 178.541 177.300 -0.347 0.000 1.148 533 P CA 1.016 63.560 63.100 -0.926 0.000 0.828 533 P CB -0.082 30.942 31.700 -1.127 0.000 0.783 534 I N -4.545 115.919 120.570 -0.176 0.000 3.419 534 I HA 0.108 4.278 4.170 -0.000 0.000 0.286 534 I C -0.037 176.117 176.117 0.062 0.000 1.268 534 I CA 0.466 61.714 61.300 -0.086 0.000 1.414 534 I CB -0.230 37.740 38.000 -0.049 0.000 1.074 534 I HN -0.296 nan 8.210 nan 0.000 0.457 535 K N 3.142 123.588 120.400 0.077 0.000 2.244 535 K HA 0.400 4.719 4.320 -0.000 0.000 0.263 535 K C -0.745 175.971 176.600 0.194 0.000 1.103 535 K CA -0.422 55.944 56.287 0.132 0.000 0.966 535 K CB 1.525 34.078 32.500 0.089 0.000 1.429 535 K HN 0.032 nan 8.250 nan 0.000 0.434 536 V N 2.580 122.660 119.914 0.277 0.000 2.320 536 V HA 0.118 4.238 4.120 -0.000 0.000 0.265 536 V C 0.276 176.598 176.094 0.379 0.000 1.048 536 V CA -0.524 61.968 62.300 0.320 0.000 0.865 536 V CB 0.735 32.797 31.823 0.398 0.000 1.043 536 V HN 0.522 nan 8.190 nan 0.000 0.474 537 S N 6.077 121.970 115.700 0.321 0.000 2.562 537 S HA 0.628 5.097 4.470 -0.000 0.000 0.275 537 S C -0.256 174.469 174.600 0.209 0.000 1.281 537 S CA -0.436 57.906 58.200 0.236 0.000 1.045 537 S CB 1.113 64.439 63.200 0.210 0.000 0.962 537 S HN 0.438 nan 8.310 nan 0.000 0.503 538 I N 3.021 123.681 120.570 0.151 0.000 2.509 538 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 538 I C -0.672 175.474 176.117 0.049 0.000 1.020 538 I CA -0.651 60.722 61.300 0.121 0.000 1.088 538 I CB 1.558 39.693 38.000 0.226 0.000 1.267 538 I HN 0.490 nan 8.210 nan 0.000 0.430 539 L N 5.108 126.348 121.223 0.028 0.000 2.305 539 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 539 L C 0.411 177.358 176.870 0.127 0.000 1.013 539 L CA -0.682 54.136 54.840 -0.037 0.000 0.819 539 L CB 1.731 43.651 42.059 -0.232 0.000 1.227 539 L HN 0.655 nan 8.230 nan 0.000 0.417 540 A N 5.825 128.771 122.820 0.211 0.000 2.340 540 A HA 0.679 4.998 4.320 -0.000 0.000 0.268 540 A C -2.264 175.309 177.584 -0.019 0.000 1.100 540 A CA -1.291 50.828 52.037 0.136 0.000 0.803 540 A CB -0.058 19.081 19.000 0.232 0.000 1.043 540 A HN 0.436 nan 8.150 nan 0.000 0.488 541 P HA 0.347 nan 4.420 nan 0.000 0.272 541 P C 0.714 177.757 177.300 -0.429 0.000 1.223 541 P CA 1.032 64.005 63.100 -0.211 0.000 0.784 541 P CB 1.235 32.832 31.700 -0.171 0.000 0.923 542 G N 0.309 108.806 108.800 -0.505 0.000 3.211 542 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.202 542 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.202 542 G C -0.287 174.277 174.900 -0.561 0.000 1.035 542 G CA -0.145 44.581 45.100 -0.623 0.000 0.846 542 G HN 0.567 nan 8.290 nan 0.000 0.464 543 M N 3.057 122.255 119.600 -0.671 0.000 2.157 543 M HA 0.712 5.192 4.480 -0.000 0.000 0.354 543 M C 0.656 176.868 176.300 -0.147 0.000 1.170 543 M CA -1.027 54.092 55.300 -0.302 0.000 1.060 543 M CB 0.900 33.392 32.600 -0.179 0.000 1.615 543 M HN 0.427 nan 8.290 nan 0.000 0.460 544 G N 3.297 112.035 108.800 -0.103 0.000 2.476 544 G HA2 0.224 4.184 3.960 -0.000 0.000 0.269 544 G HA3 0.224 4.184 3.960 -0.000 0.000 0.269 544 G C 0.158 175.009 174.900 -0.081 0.000 1.195 544 G CA -0.456 44.607 45.100 -0.062 0.000 0.843 544 G HN 0.898 nan 8.290 nan 0.000 0.545 545 E N -0.038 120.138 120.200 -0.041 0.000 2.401 545 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 545 E C 1.460 178.021 176.600 -0.066 0.000 1.023 545 E CA 1.119 57.492 56.400 -0.044 0.000 0.859 545 E CB 0.287 29.986 29.700 -0.002 0.000 0.780 545 E HN 0.679 nan 8.360 nan 0.000 0.523 546 D N -1.186 119.178 120.400 -0.059 0.000 2.348 546 D HA -0.004 4.635 4.640 -0.000 0.000 0.211 546 D C 1.221 177.475 176.300 -0.076 0.000 0.998 546 D CA 0.832 54.799 54.000 -0.055 0.000 0.873 546 D CB 0.297 41.077 40.800 -0.034 0.000 0.925 546 D HN 0.137 nan 8.370 nan 0.000 0.524 547 G N -0.006 108.729 108.800 -0.108 0.000 2.131 547 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.201 547 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.201 547 G C -0.316 174.529 174.900 -0.092 0.000 1.000 547 G CA -0.187 44.835 45.100 -0.130 0.000 0.680 547 G HN 0.331 nan 8.290 nan 0.000 0.514 548 E N -0.436 119.723 120.200 -0.069 0.000 2.277 548 E HA 0.597 4.947 4.350 -0.000 0.000 0.266 548 E C 0.458 177.041 176.600 -0.028 0.000 0.901 548 E CA -0.956 55.419 56.400 -0.042 0.000 0.782 548 E CB 1.672 31.355 29.700 -0.029 0.000 1.228 548 E HN 0.241 nan 8.360 nan 0.000 0.424 549 L N 1.637 122.857 121.223 -0.005 0.000 2.453 549 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 549 L C 1.090 178.017 176.870 0.095 0.000 1.182 549 L CA 0.318 55.182 54.840 0.041 0.000 0.858 549 L CB 0.046 42.095 42.059 -0.017 0.000 1.120 549 L HN 0.347 nan 8.230 nan 0.000 0.474 550 E N 1.493 121.793 120.200 0.167 0.000 2.620 550 E HA 0.017 4.367 4.350 -0.000 0.000 0.255 550 E C 0.649 177.400 176.600 0.252 0.000 1.346 550 E CA -0.653 55.832 56.400 0.143 0.000 1.013 550 E CB 0.570 30.296 29.700 0.043 0.000 1.131 550 E HN 0.493 nan 8.360 nan 0.000 0.608 551 E N -0.111 120.173 120.200 0.140 0.000 2.152 551 E HA -0.057 4.292 4.350 -0.000 0.000 0.192 551 E C 0.517 177.211 176.600 0.156 0.000 0.983 551 E CA 1.026 57.520 56.400 0.157 0.000 0.818 551 E CB 0.092 29.837 29.700 0.075 0.000 0.758 551 E HN 0.568 nan 8.360 nan 0.000 0.467 552 T N -2.963 111.522 114.554 -0.115 0.000 2.883 552 T HA 0.761 5.111 4.350 -0.000 0.000 0.296 552 T C 0.133 174.148 174.700 -1.141 0.000 1.117 552 T CA -0.506 61.221 62.100 -0.622 0.000 1.006 552 T CB 2.490 71.165 68.868 -0.322 0.000 1.191 552 T HN 0.076 nan 8.240 nan 0.000 0.508 553 G N -0.646 107.174 108.800 -1.635 0.000 2.550 553 G HA2 0.553 4.513 3.960 -0.000 0.000 0.293 553 G HA3 0.553 4.513 3.960 -0.000 0.000 0.293 553 G C -2.041 172.494 174.900 -0.607 0.000 1.402 553 G CA -0.689 43.816 45.100 -0.992 0.000 0.784 553 G HN 0.925 nan 8.290 nan 0.000 0.482 554 V N 1.794 121.485 119.914 -0.373 0.000 2.376 554 V HA 0.440 4.560 4.120 -0.000 0.000 0.287 554 V C -2.315 173.798 176.094 0.032 0.000 1.015 554 V CA -1.456 60.602 62.300 -0.403 0.000 0.834 554 V CB 1.900 33.108 31.823 -1.025 0.000 1.001 554 V HN 0.552 nan 8.190 nan 0.000 0.428 555 P HA 0.213 nan 4.420 nan 0.000 0.276 555 P C 0.760 178.034 177.300 -0.042 0.000 1.253 555 P CA -0.086 63.034 63.100 0.032 0.000 0.766 555 P CB 1.281 33.005 31.700 0.040 0.000 0.845 556 A N 4.733 127.502 122.820 -0.084 0.000 1.986 556 A HA -0.220 4.099 4.320 -0.000 0.000 0.220 556 A C 2.146 179.692 177.584 -0.064 0.000 1.171 556 A CA 2.186 54.185 52.037 -0.062 0.000 0.640 556 A CB -1.473 17.480 19.000 -0.079 0.000 0.811 556 A HN 0.530 nan 8.150 nan 0.000 0.451 557 A N -0.699 122.077 122.820 -0.073 0.000 1.917 557 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 557 A C 2.113 179.785 177.584 0.147 0.000 1.182 557 A CA 1.862 53.921 52.037 0.036 0.000 0.633 557 A CB -0.554 18.483 19.000 0.061 0.000 0.819 557 A HN 0.609 nan 8.150 nan 0.000 0.448 558 L N -0.464 120.792 121.223 0.055 0.000 2.156 558 L HA -0.054 4.285 4.340 -0.000 0.000 0.208 558 L C 2.375 179.360 176.870 0.192 0.000 1.095 558 L CA 1.356 56.303 54.840 0.178 0.000 0.770 558 L CB -0.173 41.981 42.059 0.158 0.000 0.914 558 L HN 0.184 nan 8.230 nan 0.000 0.439 559 V N -1.406 118.447 119.914 -0.102 0.000 2.323 559 V HA -0.243 3.877 4.120 -0.000 0.000 0.244 559 V C 2.392 178.481 176.094 -0.008 0.000 1.041 559 V CA 2.078 64.161 62.300 -0.362 0.000 1.025 559 V CB -1.047 30.509 31.823 -0.444 0.000 0.656 559 V HN 0.450 nan 8.190 nan 0.000 0.451 560 T N 0.761 115.330 114.554 0.025 0.000 2.737 560 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 560 T C 2.047 176.832 174.700 0.142 0.000 1.040 560 T CA 1.768 63.907 62.100 0.064 0.000 1.142 560 T CB -0.439 68.447 68.868 0.030 0.000 0.861 560 T HN 0.573 nan 8.240 nan 0.000 0.456 561 A N 1.133 124.092 122.820 0.231 0.000 1.898 561 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 561 A C 2.146 179.909 177.584 0.298 0.000 1.181 561 A CA 1.214 53.403 52.037 0.253 0.000 0.620 561 A CB -1.017 18.207 19.000 0.373 0.000 0.819 561 A HN 0.773 nan 8.150 nan 0.000 0.442 562 W N 0.765 122.196 121.300 0.219 0.000 2.355 562 W HA -0.175 4.485 4.660 -0.000 0.000 0.309 562 W C 1.617 178.315 176.519 0.299 0.000 1.206 562 W CA 1.650 59.175 57.345 0.300 0.000 1.284 562 W CB -0.425 29.305 29.460 0.450 0.000 1.145 562 W HN 0.303 nan 8.180 nan 0.000 0.502 563 L N 1.214 122.539 121.223 0.170 0.000 2.013 563 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 563 L C 2.908 179.814 176.870 0.060 0.000 1.073 563 L CA 1.983 56.855 54.840 0.053 0.000 0.753 563 L CB -1.561 40.577 42.059 0.132 0.000 0.890 563 L HN 0.091 nan 8.230 nan 0.000 0.432 564 G N -0.509 108.330 108.800 0.064 0.000 2.469 564 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 564 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 564 G C 1.608 176.489 174.900 -0.030 0.000 1.136 564 G CA 0.510 45.627 45.100 0.027 0.000 0.759 564 G HN 0.316 nan 8.290 nan 0.000 0.562 565 R N -0.351 120.101 120.500 -0.080 0.000 2.377 565 R HA -0.038 4.302 4.340 -0.000 0.000 0.207 565 R C 0.492 176.478 176.300 -0.523 0.000 1.075 565 R CA 0.703 56.639 56.100 -0.274 0.000 1.035 565 R CB -0.120 29.963 30.300 -0.362 0.000 0.857 565 R HN 0.526 nan 8.270 nan 0.000 0.475 566 H N -2.193 116.742 119.070 -0.225 0.000 2.649 566 H HA 0.245 4.801 4.556 -0.000 0.000 0.258 566 H C 1.109 176.377 175.328 -0.101 0.000 1.165 566 H CA 0.316 56.257 56.048 -0.180 0.000 1.006 566 H CB 1.271 30.900 29.762 -0.222 0.000 1.743 566 H HN 0.250 nan 8.280 nan 0.000 0.609 567 G N 0.966 109.762 108.800 -0.007 0.000 2.347 567 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.247 567 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.247 567 G C 0.415 175.330 174.900 0.025 0.000 1.037 567 G CA 0.230 45.331 45.100 0.001 0.000 0.622 567 G HN 0.372 nan 8.290 nan 0.000 0.521 568 I N 1.812 122.411 120.570 0.048 0.000 2.578 568 I HA 0.326 4.496 4.170 -0.000 0.000 0.286 568 I C 0.198 176.368 176.117 0.088 0.000 1.126 568 I CA 0.011 61.356 61.300 0.075 0.000 1.380 568 I CB 1.037 39.093 38.000 0.093 0.000 1.408 568 I HN -0.061 nan 8.210 nan 0.000 0.532 569 V N 8.786 128.748 119.914 0.080 0.000 2.305 569 V HA 0.272 4.391 4.120 -0.000 0.000 0.275 569 V C -1.769 174.347 176.094 0.038 0.000 1.020 569 V CA -1.510 60.822 62.300 0.053 0.000 0.811 569 V CB 0.867 32.714 31.823 0.040 0.000 1.031 569 V HN 0.632 nan 8.190 nan 0.000 0.439 570 P HA 0.103 nan 4.420 nan 0.000 0.269 570 P C 1.221 178.474 177.300 -0.077 0.000 1.209 570 P CA 0.083 63.059 63.100 -0.207 0.000 0.776 570 P CB 0.927 32.301 31.700 -0.543 0.000 0.876 571 T N 0.721 115.261 114.554 -0.022 0.000 2.708 571 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 571 T C 0.981 175.791 174.700 0.183 0.000 1.037 571 T CA 0.896 63.075 62.100 0.131 0.000 1.146 571 T CB -0.029 68.909 68.868 0.118 0.000 0.865 571 T HN 0.413 nan 8.240 nan 0.000 0.435 572 R N -0.311 120.264 120.500 0.126 0.000 2.888 572 R HA 0.611 4.951 4.340 -0.000 0.000 0.266 572 R C -1.529 174.734 176.300 -0.060 0.000 1.020 572 R CA -0.554 55.572 56.100 0.043 0.000 0.963 572 R CB 2.182 32.531 30.300 0.082 0.000 1.197 572 R HN 0.141 nan 8.270 nan 0.000 0.481 573 T N 1.607 116.127 114.554 -0.057 0.000 3.578 573 T HA 0.163 4.513 4.350 -0.000 0.000 0.329 573 T C -0.299 174.356 174.700 -0.074 0.000 0.913 573 T CA -0.662 61.388 62.100 -0.083 0.000 1.029 573 T CB 1.247 70.068 68.868 -0.078 0.000 1.045 573 T HN 0.810 nan 8.240 nan 0.000 0.460 574 T N 0.031 114.528 114.554 -0.095 0.000 3.367 574 T HA 0.316 4.666 4.350 -0.000 0.000 0.330 574 T C 0.971 175.548 174.700 -0.205 0.000 1.269 574 T CA -0.049 61.985 62.100 -0.110 0.000 0.912 574 T CB 0.398 69.218 68.868 -0.079 0.000 2.087 574 T HN 0.212 nan 8.240 nan 0.000 0.562 575 D N -0.094 120.132 120.400 -0.289 0.000 2.149 575 D HA 0.090 4.729 4.640 -0.000 0.000 0.201 575 D C 1.179 176.955 176.300 -0.874 0.000 0.972 575 D CA 1.180 54.799 54.000 -0.635 0.000 0.835 575 D CB -0.100 40.255 40.800 -0.741 0.000 0.966 575 D HN 0.508 nan 8.370 nan 0.000 0.476 576 F N -0.510 119.445 119.950 0.007 0.000 2.831 576 F HA 0.214 4.741 4.527 -0.000 0.000 0.334 576 F C 0.887 176.638 175.800 -0.082 0.000 1.071 576 F CA -0.489 57.513 58.000 0.003 0.000 1.172 576 F CB 0.383 39.435 39.000 0.085 0.000 1.054 576 F HN -0.261 nan 8.300 nan 0.000 0.572 577 Q N 1.877 121.663 119.800 -0.023 0.000 2.230 577 Q HA 0.596 4.936 4.340 -0.000 0.000 0.253 577 Q C -1.241 174.690 176.000 -0.115 0.000 0.919 577 Q CA -0.249 55.474 55.803 -0.133 0.000 0.908 577 Q CB 1.704 30.303 28.738 -0.232 0.000 1.245 577 Q HN 0.320 nan 8.270 nan 0.000 0.437 578 I N 3.740 124.235 120.570 -0.126 0.000 2.512 578 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 578 I C -0.513 175.424 176.117 -0.300 0.000 1.069 578 I CA -0.292 60.865 61.300 -0.238 0.000 1.056 578 I CB 2.039 39.876 38.000 -0.271 0.000 1.229 578 I HN 0.540 nan 8.210 nan 0.000 0.429 579 M N 6.316 125.728 119.600 -0.313 0.000 2.180 579 M HA 0.520 4.999 4.480 -0.000 0.000 0.350 579 M C -1.633 174.475 176.300 -0.318 0.000 1.125 579 M CA -0.395 54.806 55.300 -0.166 0.000 1.031 579 M CB 1.060 33.659 32.600 -0.002 0.000 1.623 579 M HN 0.349 nan 8.290 nan 0.000 0.451 580 F N 4.387 124.449 119.950 0.187 0.000 2.458 580 F HA 0.452 4.979 4.527 -0.000 0.000 0.336 580 F C -0.394 175.541 175.800 0.225 0.000 1.114 580 F CA -0.789 57.315 58.000 0.174 0.000 0.987 580 F CB 1.274 40.407 39.000 0.221 0.000 1.130 580 F HN 0.388 nan 8.300 nan 0.000 0.458 581 L N 4.475 125.852 121.223 0.255 0.000 2.257 581 L HA 0.507 4.847 4.340 -0.000 0.000 0.290 581 L C -1.268 175.693 176.870 0.152 0.000 1.044 581 L CA -0.044 54.907 54.840 0.185 0.000 0.810 581 L CB 0.050 42.147 42.059 0.064 0.000 1.193 581 L HN 0.421 nan 8.230 nan 0.000 0.425 582 F N 3.588 123.572 119.950 0.057 0.000 2.420 582 F HA 0.600 5.127 4.527 -0.000 0.000 0.342 582 F C 0.636 176.432 175.800 -0.007 0.000 1.113 582 F CA -0.194 57.825 58.000 0.031 0.000 1.059 582 F CB 1.823 40.840 39.000 0.030 0.000 1.128 582 F HN 0.599 nan 8.300 nan 0.000 0.475 583 S N 2.406 118.173 115.700 0.112 0.000 2.740 583 S HA 0.451 4.920 4.470 -0.000 0.000 0.300 583 S C 0.380 175.000 174.600 0.034 0.000 1.147 583 S CA -0.953 57.276 58.200 0.048 0.000 0.871 583 S CB 1.533 64.768 63.200 0.058 0.000 1.173 583 S HN 0.697 nan 8.310 nan 0.000 0.510 584 M N 0.878 120.482 119.600 0.007 0.000 2.539 584 M HA 0.047 4.527 4.480 -0.000 0.000 0.261 584 M C 1.832 178.143 176.300 0.018 0.000 1.069 584 M CA 1.405 56.711 55.300 0.010 0.000 1.081 584 M CB -0.667 31.934 32.600 0.002 0.000 1.412 584 M HN 0.947 nan 8.290 nan 0.000 0.482 585 G N -0.518 108.294 108.800 0.020 0.000 2.880 585 G HA2 0.108 4.068 3.960 -0.000 0.000 0.209 585 G HA3 0.108 4.068 3.960 -0.000 0.000 0.209 585 G C 0.437 175.336 174.900 -0.001 0.000 1.157 585 G CA -0.172 44.935 45.100 0.012 0.000 0.779 585 G HN 0.242 nan 8.290 nan 0.000 0.539 586 V N 1.861 121.775 119.914 -0.001 0.000 2.775 586 V HA 0.509 4.628 4.120 -0.000 0.000 0.299 586 V C 0.828 176.923 176.094 0.003 0.000 1.062 586 V CA 0.028 62.313 62.300 -0.025 0.000 1.063 586 V CB 1.558 33.342 31.823 -0.065 0.000 0.994 586 V HN 0.361 nan 8.190 nan 0.000 0.483 587 T N 4.520 119.064 114.554 -0.017 0.000 2.943 587 T HA 0.553 4.903 4.350 -0.000 0.000 0.284 587 T C -0.073 174.632 174.700 0.008 0.000 1.015 587 T CA -0.827 61.270 62.100 -0.005 0.000 1.042 587 T CB 0.854 69.707 68.868 -0.025 0.000 1.055 587 T HN 0.666 nan 8.240 nan 0.000 0.500 588 R N 0.505 121.017 120.500 0.020 0.000 2.442 588 R HA 0.440 4.780 4.340 -0.000 0.000 0.291 588 R C 1.531 177.796 176.300 -0.058 0.000 1.069 588 R CA 0.968 57.094 56.100 0.044 0.000 1.022 588 R CB 0.228 30.561 30.300 0.056 0.000 0.976 588 R HN 1.149 nan 8.270 nan 0.000 0.443 589 G N 2.377 111.091 108.800 -0.144 0.000 2.195 589 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.246 589 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.246 589 G C 0.959 175.479 174.900 -0.633 0.000 0.984 589 G CA 0.511 45.302 45.100 -0.514 0.000 0.633 589 G HN 0.563 nan 8.290 nan 0.000 0.525 590 K N 1.097 121.298 120.400 -0.332 0.000 2.147 590 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 590 K C 2.331 178.760 176.600 -0.285 0.000 1.049 590 K CA 2.118 58.250 56.287 -0.258 0.000 0.936 590 K CB -0.587 31.816 32.500 -0.162 0.000 0.722 590 K HN 0.794 nan 8.250 nan 0.000 0.446 591 W N -0.452 120.745 121.300 -0.172 0.000 2.364 591 W HA -0.010 4.650 4.660 -0.000 0.000 0.281 591 W C 1.463 177.862 176.519 -0.199 0.000 1.219 591 W CA 0.603 57.751 57.345 -0.330 0.000 1.220 591 W CB -1.147 28.210 29.460 -0.172 0.000 1.127 591 W HN 0.162 nan 8.180 nan 0.000 0.556 592 G N 1.108 109.598 108.800 -0.516 0.000 2.485 592 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.221 592 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.221 592 G C 1.504 176.346 174.900 -0.097 0.000 1.115 592 G CA 1.884 46.767 45.100 -0.361 0.000 0.751 592 G HN 0.390 nan 8.290 nan 0.000 0.567 593 T N 0.169 114.638 114.554 -0.142 0.000 2.951 593 T HA 0.059 4.409 4.350 -0.000 0.000 0.268 593 T C 2.442 177.104 174.700 -0.063 0.000 1.073 593 T CA 0.829 62.877 62.100 -0.086 0.000 1.134 593 T CB -0.181 68.624 68.868 -0.106 0.000 0.884 593 T HN 0.253 nan 8.240 nan 0.000 0.479 594 L N 0.357 121.509 121.223 -0.117 0.000 2.027 594 L HA -0.032 4.307 4.340 -0.000 0.000 0.206 594 L C 2.721 179.637 176.870 0.077 0.000 1.074 594 L CA 0.902 55.641 54.840 -0.169 0.000 0.745 594 L CB -0.809 40.902 42.059 -0.580 0.000 0.898 594 L HN 0.128 nan 8.230 nan 0.000 0.433 595 V N 0.527 120.615 119.914 0.291 0.000 2.250 595 V HA -0.381 3.739 4.120 -0.000 0.000 0.250 595 V C 2.445 178.719 176.094 0.300 0.000 1.060 595 V CA 2.350 64.890 62.300 0.401 0.000 1.030 595 V CB -0.850 31.276 31.823 0.505 0.000 0.643 595 V HN 0.595 nan 8.190 nan 0.000 0.445 596 N N 0.038 118.861 118.700 0.206 0.000 2.094 596 N HA -0.201 4.538 4.740 -0.000 0.000 0.191 596 N C 1.730 177.366 175.510 0.209 0.000 1.023 596 N CA 2.399 55.555 53.050 0.177 0.000 0.857 596 N CB -0.112 38.438 38.487 0.105 0.000 1.013 596 N HN 0.605 nan 8.380 nan 0.000 0.426 597 T N 1.320 115.968 114.554 0.157 0.000 2.896 597 T HA 0.052 4.402 4.350 -0.000 0.000 0.263 597 T C 2.130 177.072 174.700 0.404 0.000 1.050 597 T CA 0.461 62.673 62.100 0.187 0.000 1.140 597 T CB -0.029 68.802 68.868 -0.063 0.000 0.877 597 T HN 0.154 nan 8.240 nan 0.000 0.457 598 L N 0.477 121.861 121.223 0.268 0.000 2.093 598 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 598 L C 2.805 179.959 176.870 0.472 0.000 1.085 598 L CA 0.743 55.721 54.840 0.230 0.000 0.755 598 L CB -0.670 41.329 42.059 -0.100 0.000 0.904 598 L HN 0.354 nan 8.230 nan 0.000 0.435 599 C N -0.429 119.150 119.300 0.464 0.000 2.429 599 C HA -0.154 4.305 4.460 -0.000 0.000 0.277 599 C C 3.264 178.437 174.990 0.305 0.000 1.262 599 C CA 1.238 60.502 59.018 0.410 0.000 1.733 599 C CB -0.882 27.051 27.740 0.323 0.000 2.010 599 C HN 0.696 nan 8.230 nan 0.000 0.483 600 S N 0.566 116.473 115.700 0.345 0.000 2.402 600 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 600 S C 1.662 176.371 174.600 0.182 0.000 1.021 600 S CA 1.320 59.724 58.200 0.341 0.000 0.974 600 S CB -0.890 62.644 63.200 0.557 0.000 0.800 600 S HN 0.601 nan 8.310 nan 0.000 0.484 601 F N 2.864 122.804 119.950 -0.017 0.000 2.102 601 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 601 F C 2.487 178.270 175.800 -0.029 0.000 1.105 601 F CA 1.764 59.503 58.000 -0.435 0.000 1.239 601 F CB -0.335 38.545 39.000 -0.200 0.000 0.991 601 F HN 0.052 nan 8.300 nan 0.000 0.474 602 K N 0.793 121.321 120.400 0.213 0.000 2.063 602 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 602 K C 2.442 179.030 176.600 -0.021 0.000 1.048 602 K CA 1.765 58.101 56.287 0.081 0.000 0.928 602 K CB -0.487 31.962 32.500 -0.084 0.000 0.713 602 K HN 0.323 nan 8.250 nan 0.000 0.442 603 R N -0.478 119.988 120.500 -0.055 0.000 2.075 603 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 603 R C 2.200 178.367 176.300 -0.223 0.000 1.126 603 R CA 1.336 57.362 56.100 -0.123 0.000 0.963 603 R CB -0.165 30.047 30.300 -0.146 0.000 0.858 603 R HN 0.353 nan 8.270 nan 0.000 0.435 604 H N -1.302 117.662 119.070 -0.177 0.000 2.428 604 H HA -0.127 4.429 4.556 -0.000 0.000 0.296 604 H C 1.585 176.785 175.328 -0.213 0.000 1.062 604 H CA 1.326 57.239 56.048 -0.224 0.000 1.350 604 H CB -0.195 29.334 29.762 -0.388 0.000 1.403 604 H HN 0.283 nan 8.280 nan 0.000 0.533 605 Y N 2.084 122.172 120.300 -0.353 0.000 2.224 605 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 605 Y C 1.706 177.597 175.900 -0.015 0.000 1.146 605 Y CA 1.463 59.372 58.100 -0.318 0.000 1.182 605 Y CB 0.097 38.309 38.460 -0.413 0.000 0.983 605 Y HN 0.073 nan 8.280 nan 0.000 0.524 606 D N -0.577 119.912 120.400 0.148 0.000 2.162 606 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 606 D C 2.127 178.480 176.300 0.088 0.000 0.967 606 D CA 1.212 55.323 54.000 0.186 0.000 0.840 606 D CB -0.469 40.436 40.800 0.176 0.000 0.972 606 D HN 0.386 nan 8.370 nan 0.000 0.482 607 A N 0.695 123.530 122.820 0.025 0.000 2.168 607 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 607 A C 0.910 178.503 177.584 0.015 0.000 1.152 607 A CA 0.742 52.784 52.037 0.010 0.000 0.716 607 A CB -0.523 18.468 19.000 -0.015 0.000 0.794 607 A HN 0.233 nan 8.150 nan 0.000 0.465 608 N N -0.231 118.473 118.700 0.007 0.000 2.738 608 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 608 N C -0.503 175.021 175.510 0.024 0.000 1.047 608 N CA 1.093 54.138 53.050 -0.008 0.000 0.707 608 N CB -2.139 36.328 38.487 -0.035 0.000 0.937 608 N HN 0.383 nan 8.380 nan 0.000 0.545 609 T N 1.605 116.195 114.554 0.060 0.000 2.867 609 T HA 0.170 4.520 4.350 -0.000 0.000 0.297 609 T C -2.210 172.531 174.700 0.070 0.000 0.989 609 T CA -0.453 61.707 62.100 0.101 0.000 1.159 609 T CB 0.682 69.682 68.868 0.221 0.000 0.928 609 T HN 0.178 nan 8.240 nan 0.000 0.538 610 P HA 0.037 nan 4.420 nan 0.000 0.261 610 P C 0.906 178.255 177.300 0.082 0.000 1.173 610 P CA 0.095 63.240 63.100 0.074 0.000 0.760 610 P CB 0.339 32.082 31.700 0.071 0.000 0.783 611 L N 2.778 124.058 121.223 0.096 0.000 2.261 611 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 611 L C 2.239 179.169 176.870 0.099 0.000 1.114 611 L CA 1.661 56.563 54.840 0.103 0.000 0.777 611 L CB -0.768 41.358 42.059 0.112 0.000 0.910 611 L HN 0.428 nan 8.230 nan 0.000 0.440 612 A N -0.702 122.175 122.820 0.095 0.000 2.067 612 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 612 A C 2.212 179.839 177.584 0.073 0.000 1.158 612 A CA 1.355 53.442 52.037 0.083 0.000 0.661 612 A CB -0.190 18.856 19.000 0.077 0.000 0.801 612 A HN 0.520 nan 8.150 nan 0.000 0.452 613 Q N -1.066 118.779 119.800 0.075 0.000 2.324 613 Q HA 0.027 4.367 4.340 -0.000 0.000 0.207 613 Q C 1.982 178.028 176.000 0.077 0.000 0.928 613 Q CA 1.210 57.055 55.803 0.071 0.000 0.890 613 Q CB 0.161 28.944 28.738 0.074 0.000 1.001 613 Q HN 0.653 nan 8.270 nan 0.000 0.517 614 V N -3.051 116.915 119.914 0.088 0.000 3.125 614 V HA 0.232 4.352 4.120 -0.000 0.000 0.249 614 V C 1.068 177.295 176.094 0.222 0.000 1.113 614 V CA 0.513 62.907 62.300 0.156 0.000 1.106 614 V CB 0.197 32.067 31.823 0.080 0.000 0.768 614 V HN 0.138 nan 8.190 nan 0.000 0.468 615 M N 0.781 120.472 119.600 0.152 0.000 2.720 615 M HA 0.376 4.856 4.480 -0.000 0.000 0.250 615 M C -2.385 173.961 176.300 0.077 0.000 1.280 615 M CA -1.052 54.325 55.300 0.128 0.000 0.579 615 M CB 2.012 34.702 32.600 0.150 0.000 1.469 615 M HN 0.072 nan 8.290 nan 0.000 0.416 616 P HA -0.060 nan 4.420 nan 0.000 0.222 616 P C 0.600 177.921 177.300 0.036 0.000 1.153 616 P CA 1.248 64.378 63.100 0.050 0.000 0.798 616 P CB 0.259 31.981 31.700 0.036 0.000 0.796 617 E N -0.313 119.898 120.200 0.018 0.000 2.106 617 E HA -0.120 4.229 4.350 -0.000 0.000 0.192 617 E C 1.902 178.512 176.600 0.016 0.000 0.984 617 E CA 0.587 56.987 56.400 0.000 0.000 0.806 617 E CB -1.206 28.483 29.700 -0.018 0.000 0.750 617 E HN 0.140 nan 8.360 nan 0.000 0.458 618 L N 0.262 121.506 121.223 0.034 0.000 2.017 618 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 618 L C 2.091 179.079 176.870 0.197 0.000 1.073 618 L CA 1.284 56.173 54.840 0.081 0.000 0.745 618 L CB -0.128 41.898 42.059 -0.055 0.000 0.894 618 L HN 0.028 nan 8.230 nan 0.000 0.432 619 V N 0.013 120.015 119.914 0.147 0.000 2.379 619 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 619 V C 2.574 178.762 176.094 0.156 0.000 1.044 619 V CA 1.835 64.260 62.300 0.210 0.000 1.036 619 V CB -0.740 31.179 31.823 0.160 0.000 0.664 619 V HN 0.627 nan 8.190 nan 0.000 0.453 620 E N 0.425 120.670 120.200 0.075 0.000 2.208 620 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 620 E C 2.107 178.684 176.600 -0.039 0.000 0.988 620 E CA 1.372 57.787 56.400 0.024 0.000 0.828 620 E CB -0.050 29.654 29.700 0.007 0.000 0.763 620 E HN 0.710 nan 8.360 nan 0.000 0.478 621 Q N -0.757 118.990 119.800 -0.089 0.000 2.230 621 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 621 Q C -0.120 175.517 176.000 -0.606 0.000 0.963 621 Q CA 0.820 56.415 55.803 -0.346 0.000 0.866 621 Q CB 0.220 28.721 28.738 -0.394 0.000 0.931 621 Q HN 0.273 nan 8.270 nan 0.000 0.452 622 Y N -1.404 118.965 120.300 0.115 0.000 2.477 622 Y HA 0.304 4.854 4.550 -0.001 0.000 0.340 622 Y C -2.081 173.875 175.900 0.093 0.000 0.987 622 Y CA -2.197 55.967 58.100 0.106 0.000 1.127 622 Y CB 1.128 39.691 38.460 0.172 0.000 1.139 622 Y HN 0.137 nan 8.280 nan 0.000 0.637 623 P HA -0.174 nan 4.420 nan 0.000 0.216 623 P C 0.709 178.062 177.300 0.088 0.000 1.154 623 P CA 1.892 65.056 63.100 0.107 0.000 0.865 623 P CB 0.523 32.254 31.700 0.052 0.000 0.789 624 D N -1.700 118.730 120.400 0.048 0.000 2.103 624 D HA -0.103 4.536 4.640 -0.000 0.000 0.199 624 D C 1.873 178.143 176.300 -0.050 0.000 0.978 624 D CA 1.537 55.539 54.000 0.003 0.000 0.829 624 D CB -0.753 40.040 40.800 -0.012 0.000 0.981 624 D HN 0.141 nan 8.370 nan 0.000 0.464 625 T N -0.575 113.891 114.554 -0.147 0.000 2.746 625 T HA -0.172 4.177 4.350 -0.000 0.000 0.267 625 T C 0.966 175.448 174.700 -0.364 0.000 1.039 625 T CA 1.165 63.023 62.100 -0.403 0.000 1.142 625 T CB -0.295 68.066 68.868 -0.845 0.000 0.866 625 T HN 0.232 nan 8.240 nan 0.000 0.444 626 Y N 0.684 121.052 120.300 0.112 0.000 2.531 626 Y HA 0.666 5.216 4.550 -0.000 0.000 0.249 626 Y C 1.089 177.050 175.900 0.101 0.000 1.168 626 Y CA -1.530 56.645 58.100 0.124 0.000 1.226 626 Y CB -0.332 38.230 38.460 0.169 0.000 1.177 626 Y HN 0.146 nan 8.280 nan 0.000 0.527 627 A N 0.687 123.615 122.820 0.180 0.000 2.462 627 A HA 0.236 4.556 4.320 -0.000 0.000 0.243 627 A C 0.749 178.398 177.584 0.107 0.000 1.076 627 A CA 0.247 52.361 52.037 0.128 0.000 0.773 627 A CB -0.511 18.540 19.000 0.085 0.000 1.010 627 A HN 0.744 nan 8.150 nan 0.000 0.493 628 N N -0.890 117.867 118.700 0.094 0.000 2.741 628 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 628 N C -0.583 174.979 175.510 0.087 0.000 1.115 628 N CA 1.133 54.229 53.050 0.076 0.000 0.724 628 N CB -1.291 37.230 38.487 0.057 0.000 1.090 628 N HN 0.717 nan 8.380 nan 0.000 0.558 629 M N 0.495 120.166 119.600 0.119 0.000 2.383 629 M HA 0.442 4.921 4.480 -0.000 0.000 0.325 629 M C 0.831 177.201 176.300 0.116 0.000 1.092 629 M CA -0.548 54.830 55.300 0.131 0.000 0.961 629 M CB 1.702 34.425 32.600 0.205 0.000 1.672 629 M HN 0.184 nan 8.290 nan 0.000 0.438 630 G N 1.472 110.324 108.800 0.086 0.000 2.535 630 G HA2 0.430 4.390 3.960 -0.000 0.000 0.303 630 G HA3 0.430 4.390 3.960 -0.000 0.000 0.303 630 G C 0.534 175.477 174.900 0.071 0.000 1.237 630 G CA -0.566 44.574 45.100 0.067 0.000 0.986 630 G HN 0.873 nan 8.290 nan 0.000 0.494 631 I N -1.365 119.231 120.570 0.044 0.000 2.252 631 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 631 I C 2.304 178.413 176.117 -0.013 0.000 1.102 631 I CA 1.291 62.620 61.300 0.048 0.000 1.385 631 I CB -0.058 37.958 38.000 0.026 0.000 1.064 631 I HN 0.774 nan 8.210 nan 0.000 0.414 632 H N 0.351 119.232 119.070 -0.315 0.000 2.389 632 H HA -0.188 4.367 4.556 -0.000 0.000 0.299 632 H C 1.724 176.902 175.328 -0.250 0.000 1.081 632 H CA 1.607 57.278 56.048 -0.629 0.000 1.345 632 H CB 0.238 29.595 29.762 -0.675 0.000 1.393 632 H HN 0.340 nan 8.280 nan 0.000 0.520 633 D N 0.430 120.862 120.400 0.053 0.000 2.123 633 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 633 D C 2.143 178.519 176.300 0.128 0.000 0.992 633 D CA 0.715 54.761 54.000 0.076 0.000 0.833 633 D CB -0.279 40.564 40.800 0.072 0.000 0.954 633 D HN 0.310 nan 8.370 nan 0.000 0.455 634 L N 0.832 122.134 121.223 0.133 0.000 2.109 634 L HA 0.095 4.435 4.340 -0.000 0.000 0.207 634 L C 2.226 179.156 176.870 0.099 0.000 1.086 634 L CA 1.720 56.645 54.840 0.142 0.000 0.760 634 L CB -0.930 41.206 42.059 0.129 0.000 0.910 634 L HN 0.042 nan 8.230 nan 0.000 0.437 635 G N -0.876 108.024 108.800 0.167 0.000 2.476 635 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 635 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 635 G C 1.267 176.307 174.900 0.233 0.000 1.164 635 G CA 1.017 46.270 45.100 0.255 0.000 0.768 635 G HN 0.397 nan 8.290 nan 0.000 0.560 636 D N 0.179 120.716 120.400 0.228 0.000 2.084 636 D HA -0.064 4.576 4.640 -0.000 0.000 0.194 636 D C 2.866 179.324 176.300 0.263 0.000 0.990 636 D CA 1.625 55.771 54.000 0.244 0.000 0.826 636 D CB -0.791 40.120 40.800 0.186 0.000 0.971 636 D HN 0.250 nan 8.370 nan 0.000 0.453 637 T N 0.514 115.208 114.554 0.232 0.000 2.759 637 T HA -0.149 4.200 4.350 -0.000 0.000 0.269 637 T C 2.083 177.003 174.700 0.366 0.000 1.042 637 T CA 0.994 63.271 62.100 0.295 0.000 1.140 637 T CB -0.169 68.895 68.868 0.326 0.000 0.864 637 T HN 0.133 nan 8.240 nan 0.000 0.455 638 M N -0.353 119.312 119.600 0.108 0.000 2.254 638 M HA 0.084 4.564 4.480 -0.000 0.000 0.265 638 M C 1.896 178.357 176.300 0.267 0.000 1.066 638 M CA 1.315 56.496 55.300 -0.198 0.000 1.123 638 M CB -0.212 32.078 32.600 -0.517 0.000 1.388 638 M HN 0.207 nan 8.290 nan 0.000 0.425 639 F N 0.451 120.510 119.950 0.182 0.000 2.234 639 F HA 0.021 4.548 4.527 -0.000 0.000 0.296 639 F C 2.273 178.219 175.800 0.244 0.000 1.089 639 F CA 1.064 59.203 58.000 0.231 0.000 1.343 639 F CB -0.312 38.800 39.000 0.186 0.000 1.040 639 F HN 0.044 nan 8.300 nan 0.000 0.498 640 A N 0.007 123.015 122.820 0.314 0.000 1.892 640 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 640 A C 2.127 179.801 177.584 0.151 0.000 1.188 640 A CA 1.910 54.065 52.037 0.196 0.000 0.631 640 A CB -1.932 17.194 19.000 0.209 0.000 0.822 640 A HN 0.720 nan 8.150 nan 0.000 0.447 641 W N 0.546 121.912 121.300 0.111 0.000 2.335 641 W HA -0.205 4.455 4.660 -0.001 0.000 0.311 641 W C 1.879 178.448 176.519 0.083 0.000 1.213 641 W CA 2.119 59.537 57.345 0.122 0.000 1.274 641 W CB -0.299 29.368 29.460 0.344 0.000 1.148 641 W HN 0.291 nan 8.180 nan 0.000 0.498 642 L N 0.524 121.961 121.223 0.356 0.000 2.042 642 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 642 L C 2.702 179.457 176.870 -0.191 0.000 1.076 642 L CA 1.342 56.238 54.840 0.092 0.000 0.749 642 L CB -0.950 41.113 42.059 0.008 0.000 0.893 642 L HN -0.126 nan 8.230 nan 0.000 0.432 643 K N 0.055 120.298 120.400 -0.261 0.000 2.026 643 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 643 K C 1.989 178.475 176.600 -0.190 0.000 1.048 643 K CA 1.366 57.517 56.287 -0.227 0.000 0.929 643 K CB -0.230 32.166 32.500 -0.173 0.000 0.713 643 K HN 0.376 nan 8.250 nan 0.000 0.439 644 E N 0.539 120.609 120.200 -0.217 0.000 2.152 644 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 644 E C 0.770 177.170 176.600 -0.333 0.000 0.983 644 E CA 0.937 57.192 56.400 -0.242 0.000 0.818 644 E CB 0.169 29.731 29.700 -0.231 0.000 0.758 644 E HN 0.269 nan 8.360 nan 0.000 0.467 645 N N 0.411 118.804 118.700 -0.512 0.000 2.220 645 N HA -0.025 4.715 4.740 -0.000 0.000 0.195 645 N C -0.416 174.891 175.510 -0.338 0.000 1.123 645 N CA 0.010 52.724 53.050 -0.560 0.000 0.874 645 N CB 0.380 38.188 38.487 -1.131 0.000 0.995 645 N HN 0.011 nan 8.380 nan 0.000 0.498 646 N N 1.248 119.799 118.700 -0.250 0.000 2.678 646 N HA -0.131 4.609 4.740 -0.000 0.000 0.268 646 N C -1.772 173.699 175.510 -0.064 0.000 1.010 646 N CA 0.193 53.166 53.050 -0.129 0.000 0.784 646 N CB 0.103 38.531 38.487 -0.099 0.000 0.905 646 N HN 0.245 nan 8.380 nan 0.000 0.552 647 P HA -0.073 nan 4.420 nan 0.000 0.220 647 P C 1.517 178.870 177.300 0.088 0.000 1.148 647 P CA 1.601 64.773 63.100 0.120 0.000 0.803 647 P CB -0.221 31.618 31.700 0.231 0.000 0.782 648 G N 0.555 109.369 108.800 0.023 0.000 2.422 648 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.218 648 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.218 648 G C 1.750 176.610 174.900 -0.066 0.000 1.146 648 G CA 0.996 46.080 45.100 -0.026 0.000 0.769 648 G HN 0.385 nan 8.290 nan 0.000 0.547 649 A N 0.359 123.151 122.820 -0.047 0.000 1.935 649 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 649 A C 2.471 180.025 177.584 -0.051 0.000 1.178 649 A CA 1.013 53.018 52.037 -0.053 0.000 0.640 649 A CB -0.236 18.738 19.000 -0.043 0.000 0.825 649 A HN 0.153 nan 8.150 nan 0.000 0.447 650 R N -0.218 120.272 120.500 -0.016 0.000 2.113 650 R HA -0.183 4.157 4.340 -0.000 0.000 0.244 650 R C 2.116 178.342 176.300 -0.124 0.000 1.142 650 R CA 1.636 57.755 56.100 0.033 0.000 0.953 650 R CB -1.514 28.905 30.300 0.200 0.000 0.860 650 R HN 0.630 nan 8.270 nan 0.000 0.438 651 L N 1.323 122.334 121.223 -0.352 0.000 1.956 651 L HA -0.248 4.092 4.340 -0.000 0.000 0.216 651 L C 1.952 178.633 176.870 -0.314 0.000 1.073 651 L CA 1.768 56.150 54.840 -0.762 0.000 0.762 651 L CB -0.452 41.241 42.059 -0.610 0.000 0.889 651 L HN 0.163 nan 8.230 nan 0.000 0.433 652 N N 0.084 118.673 118.700 -0.186 0.000 2.094 652 N HA -0.251 4.489 4.740 -0.000 0.000 0.191 652 N C 1.693 177.185 175.510 -0.030 0.000 1.023 652 N CA 1.865 54.863 53.050 -0.087 0.000 0.857 652 N CB -0.296 38.147 38.487 -0.074 0.000 1.013 652 N HN 0.529 nan 8.380 nan 0.000 0.426 653 E N 0.479 120.654 120.200 -0.042 0.000 2.077 653 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 653 E C 1.786 178.378 176.600 -0.013 0.000 0.989 653 E CA 1.024 57.412 56.400 -0.019 0.000 0.800 653 E CB -0.080 29.612 29.700 -0.013 0.000 0.746 653 E HN 0.361 nan 8.360 nan 0.000 0.452 654 A N -0.065 122.747 122.820 -0.014 0.000 2.121 654 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 654 A C 1.102 178.584 177.584 -0.170 0.000 1.154 654 A CA 0.956 52.971 52.037 -0.036 0.000 0.679 654 A CB -0.197 18.816 19.000 0.021 0.000 0.795 654 A HN 0.264 nan 8.150 nan 0.000 0.458 655 Y N -1.545 118.678 120.300 -0.128 0.000 2.481 655 Y HA 0.197 4.746 4.550 -0.000 0.000 0.247 655 Y C 2.414 178.264 175.900 -0.084 0.000 1.151 655 Y CA 0.247 58.280 58.100 -0.111 0.000 1.238 655 Y CB 0.272 38.650 38.460 -0.138 0.000 1.179 655 Y HN 0.231 nan 8.280 nan 0.000 0.524 656 S N -0.417 115.296 115.700 0.022 0.000 2.329 656 S HA 0.034 4.504 4.470 -0.000 0.000 0.215 656 S C 1.296 175.886 174.600 -0.015 0.000 1.031 656 S CA 1.032 59.233 58.200 0.002 0.000 0.985 656 S CB -0.600 62.597 63.200 -0.006 0.000 0.917 656 S HN 0.381 nan 8.310 nan 0.000 0.441 657 G N 1.402 110.184 108.800 -0.029 0.000 2.335 657 G HA2 0.569 4.529 3.960 -0.000 0.000 0.314 657 G HA3 0.569 4.529 3.960 -0.000 0.000 0.314 657 G C -0.537 174.327 174.900 -0.060 0.000 1.129 657 G CA -0.676 44.406 45.100 -0.031 0.000 0.912 657 G HN 0.324 nan 8.290 nan 0.000 0.443 658 L N 2.938 124.127 121.223 -0.057 0.000 2.573 658 L HA 0.076 4.416 4.340 -0.000 0.000 0.290 658 L C -1.594 175.227 176.870 -0.082 0.000 1.247 658 L CA -1.092 53.695 54.840 -0.089 0.000 0.876 658 L CB 0.050 42.085 42.059 -0.040 0.000 1.123 658 L HN 0.322 nan 8.230 nan 0.000 0.505 659 P HA 0.091 nan 4.420 nan 0.000 0.272 659 P C -0.848 176.412 177.300 -0.067 0.000 1.223 659 P CA -0.531 62.508 63.100 -0.102 0.000 0.784 659 P CB 0.466 32.065 31.700 -0.168 0.000 0.923 660 V N 0.789 120.678 119.914 -0.043 0.000 2.485 660 V HA 0.227 4.347 4.120 -0.000 0.000 0.287 660 V C 0.888 176.969 176.094 -0.021 0.000 1.022 660 V CA -0.497 61.792 62.300 -0.018 0.000 1.067 660 V CB -0.593 31.225 31.823 -0.008 0.000 0.967 660 V HN 0.666 nan 8.190 nan 0.000 0.479 661 A N 3.511 126.336 122.820 0.008 0.000 2.410 661 A HA 0.294 4.613 4.320 -0.000 0.000 0.292 661 A C 1.116 178.706 177.584 0.011 0.000 1.232 661 A CA -0.245 51.803 52.037 0.019 0.000 0.893 661 A CB -0.030 19.015 19.000 0.075 0.000 1.131 661 A HN 1.014 nan 8.150 nan 0.000 0.530 662 E N 2.124 122.324 120.200 -0.001 0.000 2.051 662 E HA 0.036 4.386 4.350 -0.000 0.000 0.189 662 E C 0.651 177.256 176.600 0.008 0.000 0.979 662 E CA 1.526 57.927 56.400 0.003 0.000 0.803 662 E CB 0.135 29.835 29.700 -0.001 0.000 0.761 662 E HN 0.750 nan 8.360 nan 0.000 0.451 663 V N -1.869 118.051 119.914 0.010 0.000 3.158 663 V HA 0.505 4.625 4.120 -0.000 0.000 0.311 663 V C 0.107 176.215 176.094 0.024 0.000 1.181 663 V CA -0.568 61.741 62.300 0.015 0.000 1.054 663 V CB 1.085 32.917 31.823 0.014 0.000 1.085 663 V HN 0.208 nan 8.190 nan 0.000 0.446 664 T N -1.289 113.281 114.554 0.026 0.000 2.856 664 T HA 0.356 4.706 4.350 -0.000 0.000 0.306 664 T C -1.702 173.026 174.700 0.047 0.000 1.062 664 T CA -0.543 61.578 62.100 0.036 0.000 1.083 664 T CB 0.665 69.548 68.868 0.025 0.000 0.984 664 T HN 0.635 nan 8.240 nan 0.000 0.542 665 P HA -0.114 nan 4.420 nan 0.000 0.216 665 P C 1.735 179.089 177.300 0.091 0.000 1.153 665 P CA 1.053 64.193 63.100 0.067 0.000 0.858 665 P CB 0.001 31.738 31.700 0.063 0.000 0.789 666 R N 0.455 120.997 120.500 0.070 0.000 2.080 666 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 666 R C 2.105 178.478 176.300 0.121 0.000 1.137 666 R CA 1.937 58.095 56.100 0.095 0.000 0.943 666 R CB -0.572 29.757 30.300 0.047 0.000 0.846 666 R HN 0.173 nan 8.270 nan 0.000 0.431 667 E N -0.211 120.032 120.200 0.071 0.000 2.058 667 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 667 E C 1.997 178.625 176.600 0.046 0.000 0.997 667 E CA 1.358 57.788 56.400 0.050 0.000 0.801 667 E CB -0.180 29.538 29.700 0.029 0.000 0.746 667 E HN 0.521 nan 8.360 nan 0.000 0.450 668 A N 0.682 123.535 122.820 0.054 0.000 1.902 668 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 668 A C 2.035 179.646 177.584 0.045 0.000 1.181 668 A CA 1.406 53.466 52.037 0.040 0.000 0.623 668 A CB -0.783 18.240 19.000 0.039 0.000 0.818 668 A HN 0.412 nan 8.150 nan 0.000 0.443 669 Y N 1.662 121.963 120.300 0.001 0.000 2.097 669 Y HA -0.280 4.270 4.550 -0.001 0.000 0.282 669 Y C 2.155 178.056 175.900 0.002 0.000 1.152 669 Y CA 2.278 60.379 58.100 0.002 0.000 1.136 669 Y CB -0.368 38.092 38.460 -0.000 0.000 0.975 669 Y HN 0.343 nan 8.280 nan 0.000 0.498 670 N N 0.681 119.362 118.700 -0.032 0.000 2.192 670 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 670 N C 1.957 177.380 175.510 -0.146 0.000 1.013 670 N CA 1.388 54.385 53.050 -0.089 0.000 0.863 670 N CB -0.843 37.658 38.487 0.023 0.000 0.990 670 N HN 0.576 nan 8.380 nan 0.000 0.430 671 A N 1.208 123.959 122.820 -0.114 0.000 1.948 671 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 671 A C 2.307 179.802 177.584 -0.148 0.000 1.177 671 A CA 1.136 53.114 52.037 -0.099 0.000 0.636 671 A CB -0.710 18.256 19.000 -0.058 0.000 0.815 671 A HN 0.274 nan 8.150 nan 0.000 0.449 672 I N -0.465 119.951 120.570 -0.257 0.000 2.142 672 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 672 I C 2.325 178.291 176.117 -0.251 0.000 1.078 672 I CA 1.374 62.507 61.300 -0.279 0.000 1.343 672 I CB -0.524 37.214 38.000 -0.436 0.000 1.046 672 I HN 0.164 nan 8.210 nan 0.000 0.405 673 V N 0.561 120.275 119.914 -0.333 0.000 2.392 673 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 673 V C 1.504 177.536 176.094 -0.103 0.000 1.059 673 V CA 1.840 64.028 62.300 -0.188 0.000 1.051 673 V CB -0.717 31.017 31.823 -0.149 0.000 0.658 673 V HN 0.408 nan 8.190 nan 0.000 0.455 674 D N -0.054 120.287 120.400 -0.098 0.000 2.338 674 D HA -0.004 4.636 4.640 -0.000 0.000 0.239 674 D C 0.995 177.265 176.300 -0.050 0.000 1.095 674 D CA 0.223 54.188 54.000 -0.058 0.000 0.888 674 D CB -0.678 40.094 40.800 -0.047 0.000 0.899 674 D HN 0.450 nan 8.370 nan 0.000 0.525 675 N N 1.045 119.708 118.700 -0.061 0.000 2.727 675 N HA -0.259 4.481 4.740 -0.000 0.000 0.249 675 N C -0.521 174.968 175.510 -0.035 0.000 1.048 675 N CA 0.331 53.354 53.050 -0.045 0.000 0.714 675 N CB -1.408 37.061 38.487 -0.031 0.000 0.959 675 N HN 0.130 nan 8.380 nan 0.000 0.544 676 N N -0.432 118.243 118.700 -0.042 0.000 2.541 676 N HA 0.294 5.034 4.740 -0.000 0.000 0.297 676 N C -1.005 174.492 175.510 -0.022 0.000 1.503 676 N CA 0.115 53.148 53.050 -0.027 0.000 0.919 676 N CB 0.439 38.909 38.487 -0.027 0.000 1.305 676 N HN 0.215 nan 8.380 nan 0.000 0.501 677 V N -2.184 117.718 119.914 -0.020 0.000 3.130 677 V HA 0.815 4.935 4.120 -0.000 0.000 0.310 677 V C -0.959 175.139 176.094 0.006 0.000 1.158 677 V CA -0.997 61.299 62.300 -0.006 0.000 1.029 677 V CB 2.046 33.858 31.823 -0.018 0.000 1.057 677 V HN 0.311 nan 8.190 nan 0.000 0.436 678 E N 2.193 122.408 120.200 0.024 0.000 2.392 678 E HA 0.523 4.872 4.350 -0.000 0.000 0.279 678 E C -1.639 174.995 176.600 0.058 0.000 0.964 678 E CA -1.081 55.339 56.400 0.034 0.000 0.777 678 E CB 2.548 32.267 29.700 0.032 0.000 1.249 678 E HN 0.696 nan 8.360 nan 0.000 0.449 679 L N 2.100 123.364 121.223 0.069 0.000 2.433 679 L HA 0.224 4.564 4.340 -0.000 0.000 0.275 679 L C -0.636 176.329 176.870 0.157 0.000 1.128 679 L CA -0.538 54.373 54.840 0.118 0.000 0.875 679 L CB 0.862 42.984 42.059 0.105 0.000 1.171 679 L HN 0.387 nan 8.230 nan 0.000 0.463 680 V N 3.375 123.365 119.914 0.126 0.000 2.370 680 V HA 0.176 4.296 4.120 -0.000 0.000 0.283 680 V C 0.527 176.564 176.094 -0.095 0.000 1.023 680 V CA -0.435 61.889 62.300 0.039 0.000 0.857 680 V CB 1.578 33.404 31.823 0.005 0.000 0.985 680 V HN 0.789 nan 8.190 nan 0.000 0.443 681 S N 3.019 118.570 115.700 -0.248 0.000 2.563 681 S HA 0.107 4.577 4.470 -0.000 0.000 0.284 681 S C 1.418 175.801 174.600 -0.362 0.000 1.331 681 S CA 0.034 57.850 58.200 -0.639 0.000 1.047 681 S CB 0.218 63.186 63.200 -0.386 0.000 0.859 681 S HN 0.715 nan 8.310 nan 0.000 0.514 682 I N 2.942 123.313 120.570 -0.332 0.000 2.185 682 I HA -0.207 3.962 4.170 -0.000 0.000 0.246 682 I C 1.875 177.864 176.117 -0.213 0.000 1.088 682 I CA 1.812 62.980 61.300 -0.220 0.000 1.347 682 I CB -0.061 37.850 38.000 -0.148 0.000 1.041 682 I HN 0.643 nan 8.210 nan 0.000 0.415 683 E N 0.716 120.813 120.200 -0.172 0.000 2.347 683 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 683 E C 1.271 177.797 176.600 -0.123 0.000 1.008 683 E CA 0.588 56.909 56.400 -0.130 0.000 0.852 683 E CB -0.412 29.231 29.700 -0.095 0.000 0.783 683 E HN 0.644 nan 8.360 nan 0.000 0.505 684 N N 0.241 118.858 118.700 -0.138 0.000 2.270 684 N HA 0.077 4.817 4.740 -0.000 0.000 0.198 684 N C 1.612 177.041 175.510 -0.136 0.000 1.117 684 N CA 0.003 52.988 53.050 -0.108 0.000 0.845 684 N CB 0.455 38.895 38.487 -0.078 0.000 0.980 684 N HN 0.190 nan 8.380 nan 0.000 0.486 685 L N 0.829 121.907 121.223 -0.242 0.000 2.093 685 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 685 L C -1.423 175.316 176.870 -0.219 0.000 1.085 685 L CA 0.661 55.254 54.840 -0.412 0.000 0.755 685 L CB -1.402 40.104 42.059 -0.920 0.000 0.904 685 L HN -0.093 nan 8.230 nan 0.000 0.435 686 P HA 0.014 nan 4.420 nan 0.000 0.264 686 P C 0.725 178.057 177.300 0.053 0.000 1.193 686 P CA 1.524 64.633 63.100 0.015 0.000 0.763 686 P CB 0.634 32.330 31.700 -0.008 0.000 0.810 687 G N 2.112 110.975 108.800 0.104 0.000 2.225 687 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 687 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 687 G C 0.202 175.163 174.900 0.102 0.000 0.988 687 G CA -0.389 44.760 45.100 0.082 0.000 0.625 687 G HN 0.519 nan 8.290 nan 0.000 0.527 688 R N 0.197 120.792 120.500 0.159 0.000 2.457 688 R HA 0.656 4.996 4.340 -0.000 0.000 0.284 688 R C 0.160 176.594 176.300 0.224 0.000 1.024 688 R CA -0.760 55.446 56.100 0.176 0.000 1.025 688 R CB 0.689 31.091 30.300 0.170 0.000 1.063 688 R HN 0.306 nan 8.270 nan 0.000 0.493 689 I N 1.544 122.188 120.570 0.123 0.000 2.315 689 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 689 I C 0.586 176.725 176.117 0.037 0.000 1.006 689 I CA -0.529 60.796 61.300 0.041 0.000 1.265 689 I CB 1.573 39.584 38.000 0.019 0.000 1.387 689 I HN 0.555 nan 8.210 nan 0.000 0.475 690 A N 4.829 127.602 122.820 -0.077 0.000 2.524 690 A HA 0.428 4.747 4.320 -0.000 0.000 0.250 690 A C 1.250 178.833 177.584 -0.001 0.000 1.078 690 A CA 0.261 52.271 52.037 -0.046 0.000 0.761 690 A CB 0.267 19.129 19.000 -0.231 0.000 1.012 690 A HN 0.962 nan 8.150 nan 0.000 0.500 691 A N 2.949 125.795 122.820 0.043 0.000 2.169 691 A HA 0.236 4.555 4.320 -0.000 0.000 0.212 691 A C 0.716 178.330 177.584 0.049 0.000 1.153 691 A CA 1.047 53.103 52.037 0.033 0.000 0.756 691 A CB -0.525 18.490 19.000 0.025 0.000 0.813 691 A HN 1.112 nan 8.150 nan 0.000 0.471 692 N N -1.756 116.973 118.700 0.049 0.000 2.732 692 N HA 0.404 5.143 4.740 -0.000 0.000 0.259 692 N C -0.527 174.997 175.510 0.023 0.000 1.402 692 N CA 0.013 53.096 53.050 0.056 0.000 0.829 692 N CB 0.596 39.126 38.487 0.072 0.000 1.495 692 N HN 0.003 nan 8.380 nan 0.000 0.511 693 S N -0.628 115.081 115.700 0.015 0.000 2.579 693 S HA 0.432 4.902 4.470 -0.000 0.000 0.275 693 S C -0.148 174.462 174.600 0.017 0.000 1.345 693 S CA -0.678 57.516 58.200 -0.012 0.000 1.031 693 S CB 0.412 63.601 63.200 -0.019 0.000 0.892 693 S HN 0.505 nan 8.310 nan 0.000 0.529 694 V N 3.136 123.052 119.914 0.005 0.000 2.376 694 V HA 0.425 4.545 4.120 -0.000 0.000 0.287 694 V C -0.448 175.680 176.094 0.056 0.000 1.015 694 V CA -0.543 61.795 62.300 0.063 0.000 0.834 694 V CB 0.690 32.580 31.823 0.111 0.000 1.001 694 V HN 0.869 nan 8.190 nan 0.000 0.428 695 I N 7.372 127.992 120.570 0.083 0.000 2.464 695 I HA 0.377 4.547 4.170 -0.000 0.000 0.277 695 I C -2.584 173.565 176.117 0.053 0.000 1.040 695 I CA -1.876 59.448 61.300 0.040 0.000 1.153 695 I CB 2.011 40.024 38.000 0.022 0.000 1.274 695 I HN 0.411 nan 8.210 nan 0.000 0.469 696 P HA 0.189 nan 4.420 nan 0.000 0.278 696 P C -1.362 175.887 177.300 -0.085 0.000 1.238 696 P CA -0.170 63.002 63.100 0.121 0.000 0.794 696 P CB 0.396 32.252 31.700 0.259 0.000 0.955 697 Y N 2.740 123.089 120.300 0.083 0.000 2.447 697 Y HA 0.358 4.908 4.550 -0.001 0.000 0.325 697 Y C -1.825 174.122 175.900 0.078 0.000 0.976 697 Y CA -1.988 56.141 58.100 0.048 0.000 1.280 697 Y CB 1.093 39.568 38.460 0.024 0.000 1.104 697 Y HN 0.327 nan 8.280 nan 0.000 0.486 698 P HA 0.320 nan 4.420 nan 0.000 0.284 698 P C -2.464 174.812 177.300 -0.040 0.000 1.287 698 P CA -2.167 60.925 63.100 -0.013 0.000 0.824 698 P CB 1.844 33.522 31.700 -0.037 0.000 1.180 699 P HA 0.075 nan 4.420 nan 0.000 0.257 699 P C 0.862 177.953 177.300 -0.348 0.000 1.281 699 P CA 0.538 63.446 63.100 -0.320 0.000 0.826 699 P CB -0.450 30.941 31.700 -0.515 0.000 1.237 700 G N 1.238 109.708 108.800 -0.550 0.000 2.203 700 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 700 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 700 G C 0.089 174.729 174.900 -0.433 0.000 1.012 700 G CA 0.533 45.068 45.100 -0.942 0.000 0.749 700 G HN 0.586 nan 8.290 nan 0.000 0.512 701 I N -3.409 117.024 120.570 -0.228 0.000 2.910 701 I HA 0.825 4.995 4.170 -0.000 0.000 0.310 701 I C -2.546 173.599 176.117 0.047 0.000 1.043 701 I CA -3.520 57.755 61.300 -0.043 0.000 1.053 701 I CB 1.924 39.941 38.000 0.029 0.000 1.242 701 I HN -0.159 nan 8.210 nan 0.000 0.452 702 P HA 0.113 nan 4.420 nan 0.000 0.265 702 P C 0.039 177.309 177.300 -0.049 0.000 1.193 702 P CA -0.061 63.029 63.100 -0.017 0.000 0.765 702 P CB 0.713 32.367 31.700 -0.077 0.000 0.823 703 M N 3.377 122.916 119.600 -0.102 0.000 2.398 703 M HA 0.084 4.564 4.480 -0.000 0.000 0.261 703 M C -0.242 175.864 176.300 -0.325 0.000 1.125 703 M CA 1.494 56.578 55.300 -0.359 0.000 1.183 703 M CB 0.184 32.677 32.600 -0.178 0.000 1.322 703 M HN 0.150 nan 8.290 nan 0.000 0.467 704 L N 0.672 121.760 121.223 -0.225 0.000 2.330 704 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 704 L C -0.730 176.014 176.870 -0.209 0.000 1.013 704 L CA -0.381 54.293 54.840 -0.276 0.000 0.816 704 L CB 1.911 43.726 42.059 -0.406 0.000 1.287 704 L HN 0.197 nan 8.230 nan 0.000 0.435 705 L N 0.004 121.097 121.223 -0.217 0.000 2.331 705 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 705 L C 0.168 176.979 176.870 -0.099 0.000 1.015 705 L CA -0.866 53.893 54.840 -0.136 0.000 0.807 705 L CB 1.778 43.757 42.059 -0.134 0.000 1.293 705 L HN 0.579 nan 8.230 nan 0.000 0.451 706 S N 0.297 115.976 115.700 -0.035 0.000 2.552 706 S HA 0.300 4.770 4.470 -0.000 0.000 0.289 706 S C 0.897 175.491 174.600 -0.011 0.000 1.304 706 S CA 0.347 58.541 58.200 -0.010 0.000 1.063 706 S CB 0.796 64.025 63.200 0.047 0.000 0.848 706 S HN 1.028 nan 8.310 nan 0.000 0.499 707 G N 1.981 110.765 108.800 -0.026 0.000 2.213 707 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.236 707 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.236 707 G C -0.251 174.623 174.900 -0.043 0.000 0.991 707 G CA -0.215 44.875 45.100 -0.015 0.000 0.629 707 G HN 0.660 nan 8.290 nan 0.000 0.517 708 E N 0.937 121.079 120.200 -0.097 0.000 2.331 708 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 708 E C 0.117 176.601 176.600 -0.194 0.000 1.036 708 E CA -0.600 55.718 56.400 -0.137 0.000 0.864 708 E CB 0.719 30.307 29.700 -0.186 0.000 1.035 708 E HN 0.265 nan 8.360 nan 0.000 0.408 709 N N 1.946 120.567 118.700 -0.131 0.000 2.529 709 N HA 0.039 4.778 4.740 -0.000 0.000 0.278 709 N C 0.161 175.594 175.510 -0.129 0.000 1.146 709 N CA -0.016 52.981 53.050 -0.087 0.000 0.980 709 N CB 0.542 39.023 38.487 -0.010 0.000 1.124 709 N HN 0.365 nan 8.380 nan 0.000 0.458 710 F N 1.745 121.688 119.950 -0.013 0.000 2.293 710 F HA 0.093 4.619 4.527 -0.001 0.000 0.300 710 F C 1.852 177.641 175.800 -0.019 0.000 1.086 710 F CA 1.443 59.432 58.000 -0.017 0.000 1.375 710 F CB -0.382 38.612 39.000 -0.009 0.000 1.045 710 F HN 0.766 nan 8.300 nan 0.000 0.516 711 G N -0.100 108.791 108.800 0.151 0.000 2.466 711 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.316 711 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.316 711 G C -1.064 173.880 174.900 0.073 0.000 1.270 711 G CA -0.563 44.586 45.100 0.083 0.000 0.982 711 G HN 0.314 nan 8.290 nan 0.000 0.506 712 D N -0.223 120.203 120.400 0.044 0.000 2.398 712 D HA 0.453 5.093 4.640 -0.000 0.000 0.264 712 D C 1.450 177.763 176.300 0.022 0.000 1.263 712 D CA -0.004 54.013 54.000 0.028 0.000 1.037 712 D CB 0.418 41.228 40.800 0.017 0.000 1.101 712 D HN 0.593 nan 8.370 nan 0.000 0.551 713 K N -1.216 119.189 120.400 0.008 0.000 2.362 713 K HA -0.004 4.316 4.320 -0.000 0.000 0.200 713 K C 0.596 177.195 176.600 -0.003 0.000 1.046 713 K CA 0.530 56.816 56.287 -0.003 0.000 0.952 713 K CB -0.188 32.307 32.500 -0.008 0.000 0.753 713 K HN 0.269 nan 8.250 nan 0.000 0.466 714 N N 0.838 119.540 118.700 0.004 0.000 2.314 714 N HA -0.040 4.699 4.740 -0.000 0.000 0.200 714 N C -0.250 175.268 175.510 0.013 0.000 1.135 714 N CA 0.168 53.220 53.050 0.004 0.000 0.835 714 N CB 0.482 38.971 38.487 0.003 0.000 0.989 714 N HN -0.044 nan 8.380 nan 0.000 0.478 715 S N 2.496 118.210 115.700 0.023 0.000 2.629 715 S HA 0.023 4.493 4.470 -0.000 0.000 0.302 715 S C -1.022 173.604 174.600 0.044 0.000 1.244 715 S CA -0.993 57.233 58.200 0.044 0.000 1.098 715 S CB 0.754 64.000 63.200 0.077 0.000 0.858 715 S HN 0.173 nan 8.310 nan 0.000 0.502 716 P HA -0.085 nan 4.420 nan 0.000 0.219 716 P C 0.995 178.350 177.300 0.092 0.000 1.150 716 P CA 0.931 64.060 63.100 0.049 0.000 0.814 716 P CB 0.159 31.872 31.700 0.022 0.000 0.787 717 Q N -0.071 119.786 119.800 0.095 0.000 2.084 717 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 717 Q C 2.298 178.416 176.000 0.196 0.000 0.978 717 Q CA 1.367 57.260 55.803 0.150 0.000 0.844 717 Q CB -1.325 27.500 28.738 0.144 0.000 0.898 717 Q HN 0.088 nan 8.270 nan 0.000 0.426 718 V N -0.401 119.596 119.914 0.139 0.000 2.427 718 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 718 V C 2.073 178.170 176.094 0.005 0.000 1.051 718 V CA 1.771 64.080 62.300 0.015 0.000 1.048 718 V CB -0.506 31.272 31.823 -0.075 0.000 0.666 718 V HN 0.279 nan 8.190 nan 0.000 0.456 719 S N -1.430 114.296 115.700 0.043 0.000 2.406 719 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 719 S C 1.866 176.518 174.600 0.087 0.000 1.020 719 S CA 1.090 59.312 58.200 0.036 0.000 0.965 719 S CB -0.332 62.890 63.200 0.036 0.000 0.798 719 S HN 0.689 nan 8.310 nan 0.000 0.488 720 Y N 2.321 122.625 120.300 0.007 0.000 2.242 720 Y HA -0.002 4.548 4.550 -0.001 0.000 0.291 720 Y C 1.742 177.645 175.900 0.006 0.000 1.137 720 Y CA 1.053 59.166 58.100 0.021 0.000 1.181 720 Y CB -0.484 38.014 38.460 0.062 0.000 0.989 720 Y HN 0.175 nan 8.280 nan 0.000 0.527 721 L N -0.482 120.685 121.223 -0.093 0.000 2.083 721 L HA -0.251 4.088 4.340 -0.000 0.000 0.209 721 L C 2.620 179.288 176.870 -0.337 0.000 1.083 721 L CA 1.443 56.171 54.840 -0.188 0.000 0.752 721 L CB -0.526 41.525 42.059 -0.013 0.000 0.899 721 L HN 0.125 nan 8.230 nan 0.000 0.433 722 R N -0.068 120.306 120.500 -0.210 0.000 2.091 722 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 722 R C 2.644 178.858 176.300 -0.144 0.000 1.136 722 R CA 1.865 57.847 56.100 -0.198 0.000 0.959 722 R CB -0.285 29.951 30.300 -0.107 0.000 0.856 722 R HN 0.503 nan 8.270 nan 0.000 0.437 723 S N 0.701 116.356 115.700 -0.075 0.000 2.371 723 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 723 S C 2.088 176.779 174.600 0.152 0.000 1.029 723 S CA 0.674 58.940 58.200 0.110 0.000 0.978 723 S CB -0.493 62.794 63.200 0.144 0.000 0.833 723 S HN 0.194 nan 8.310 nan 0.000 0.466 724 L N 1.407 122.513 121.223 -0.196 0.000 2.042 724 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 724 L C 3.166 180.031 176.870 -0.008 0.000 1.076 724 L CA 1.954 56.667 54.840 -0.211 0.000 0.749 724 L CB -0.713 41.106 42.059 -0.400 0.000 0.893 724 L HN 0.450 nan 8.230 nan 0.000 0.432 725 Q N -0.595 118.958 119.800 -0.411 0.000 2.124 725 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 725 Q C 2.410 178.311 176.000 -0.166 0.000 0.977 725 Q CA 1.967 57.486 55.803 -0.474 0.000 0.850 725 Q CB 0.001 28.261 28.738 -0.797 0.000 0.901 725 Q HN 0.386 nan 8.270 nan 0.000 0.429 726 S N -0.192 115.514 115.700 0.011 0.000 2.357 726 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 726 S C 1.429 176.246 174.600 0.361 0.000 1.031 726 S CA 0.952 59.299 58.200 0.245 0.000 0.982 726 S CB -0.600 62.914 63.200 0.522 0.000 0.853 726 S HN 0.707 nan 8.310 nan 0.000 0.458 727 W N 2.425 123.756 121.300 0.052 0.000 2.335 727 W HA -0.174 4.486 4.660 -0.001 0.000 0.311 727 W C 1.268 177.767 176.519 -0.032 0.000 1.213 727 W CA 2.022 59.116 57.345 -0.418 0.000 1.274 727 W CB -0.956 28.256 29.460 -0.413 0.000 1.148 727 W HN 0.322 nan 8.180 nan 0.000 0.498 728 D N -1.012 119.614 120.400 0.377 0.000 2.133 728 D HA -0.223 4.416 4.640 -0.000 0.000 0.195 728 D C 2.031 178.407 176.300 0.126 0.000 0.997 728 D CA 1.840 56.027 54.000 0.312 0.000 0.840 728 D CB -1.014 40.065 40.800 0.465 0.000 0.947 728 D HN 0.433 nan 8.370 nan 0.000 0.452 729 H N -1.212 117.800 119.070 -0.098 0.000 2.395 729 H HA -0.029 4.526 4.556 -0.000 0.000 0.299 729 H C 1.739 176.794 175.328 -0.455 0.000 1.070 729 H CA 0.912 56.815 56.048 -0.242 0.000 1.356 729 H CB 0.124 29.733 29.762 -0.256 0.000 1.401 729 H HN 0.343 nan 8.280 nan 0.000 0.524 730 H N -1.096 117.754 119.070 -0.367 0.000 2.482 730 H HA 0.013 4.569 4.556 -0.000 0.000 0.286 730 H C -0.140 174.424 175.328 -1.273 0.000 1.017 730 H CA 0.642 56.184 56.048 -0.843 0.000 1.322 730 H CB 0.388 29.509 29.762 -1.068 0.000 1.426 730 H HN 0.123 nan 8.280 nan 0.000 0.546 731 F N 1.480 121.162 119.950 -0.447 0.000 2.622 731 F HA 0.279 4.806 4.527 -0.001 0.000 0.338 731 F C -2.463 173.276 175.800 -0.101 0.000 1.334 731 F CA -3.187 54.602 58.000 -0.353 0.000 1.179 731 F CB 0.669 39.152 39.000 -0.862 0.000 1.471 731 F HN -0.131 nan 8.300 nan 0.000 0.576 732 P HA 0.136 nan 4.420 nan 0.000 0.265 732 P C 0.955 178.048 177.300 -0.346 0.000 1.193 732 P CA 1.168 64.056 63.100 -0.353 0.000 0.765 732 P CB 1.246 32.452 31.700 -0.823 0.000 0.823 733 G N 2.085 110.729 108.800 -0.260 0.000 2.195 733 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 733 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 733 G C 0.182 174.787 174.900 -0.492 0.000 0.984 733 G CA -0.247 44.687 45.100 -0.277 0.000 0.633 733 G HN 0.454 nan 8.290 nan 0.000 0.525 734 F N 1.609 121.598 119.950 0.065 0.000 2.805 734 F HA 0.460 4.987 4.527 -0.000 0.000 0.317 734 F C 0.721 176.657 175.800 0.226 0.000 1.146 734 F CA -0.764 57.326 58.000 0.150 0.000 1.265 734 F CB 0.593 39.710 39.000 0.195 0.000 0.992 734 F HN 0.005 nan 8.300 nan 0.000 0.511 735 E N 0.658 121.006 120.200 0.246 0.000 2.467 735 E HA -0.026 4.324 4.350 -0.000 0.000 0.264 735 E C 0.271 176.959 176.600 0.146 0.000 1.020 735 E CA 0.464 57.011 56.400 0.246 0.000 0.945 735 E CB 0.225 30.041 29.700 0.194 0.000 0.942 735 E HN 0.215 nan 8.360 nan 0.000 0.449 736 H N 1.847 121.078 119.070 0.267 0.000 2.603 736 H HA 0.142 4.697 4.556 -0.000 0.000 0.370 736 H C -0.028 175.377 175.328 0.129 0.000 1.225 736 H CA 0.043 56.186 56.048 0.159 0.000 1.410 736 H CB 0.809 30.657 29.762 0.144 0.000 1.495 736 H HN 0.423 nan 8.280 nan 0.000 0.602 737 E N 1.676 122.013 120.200 0.229 0.000 2.151 737 E HA 0.247 4.596 4.350 -0.000 0.000 0.275 737 E C -0.560 176.183 176.600 0.238 0.000 0.936 737 E CA -0.644 55.834 56.400 0.131 0.000 0.777 737 E CB 1.587 31.267 29.700 -0.032 0.000 1.108 737 E HN 0.464 nan 8.360 nan 0.000 0.401 738 T N 2.286 116.932 114.554 0.154 0.000 2.833 738 T HA 0.196 4.545 4.350 -0.000 0.000 0.297 738 T C 0.018 174.794 174.700 0.127 0.000 1.015 738 T CA -0.834 61.375 62.100 0.181 0.000 0.963 738 T CB 1.318 70.252 68.868 0.109 0.000 0.955 738 T HN 0.129 nan 8.240 nan 0.000 0.449 739 E N 1.829 122.154 120.200 0.208 0.000 2.417 739 E HA 0.306 4.656 4.350 -0.000 0.000 0.261 739 E C 1.267 177.926 176.600 0.099 0.000 1.000 739 E CA 0.982 57.468 56.400 0.143 0.000 0.919 739 E CB 0.837 30.652 29.700 0.192 0.000 0.955 739 E HN 1.119 nan 8.360 nan 0.000 0.455 740 G N 2.912 111.752 108.800 0.067 0.000 2.159 740 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.227 740 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.227 740 G C 0.428 175.369 174.900 0.068 0.000 0.986 740 G CA 0.376 45.517 45.100 0.068 0.000 0.651 740 G HN 0.657 nan 8.290 nan 0.000 0.523 741 T N -1.971 112.601 114.554 0.030 0.000 2.945 741 T HA 0.753 5.102 4.350 -0.000 0.000 0.286 741 T C -0.558 174.127 174.700 -0.026 0.000 1.025 741 T CA -0.565 61.531 62.100 -0.007 0.000 1.039 741 T CB 2.788 71.575 68.868 -0.135 0.000 1.068 741 T HN 0.225 nan 8.240 nan 0.000 0.497 742 E N 0.919 121.120 120.200 0.001 0.000 2.224 742 E HA 0.443 4.792 4.350 -0.000 0.000 0.265 742 E C -1.119 175.484 176.600 0.004 0.000 0.878 742 E CA -0.764 55.629 56.400 -0.013 0.000 0.759 742 E CB 1.845 31.540 29.700 -0.009 0.000 1.164 742 E HN 0.510 nan 8.360 nan 0.000 0.414 743 I N 3.821 124.373 120.570 -0.030 0.000 2.325 743 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 743 I C -0.262 175.872 176.117 0.029 0.000 1.019 743 I CA 0.040 61.362 61.300 0.036 0.000 1.302 743 I CB 0.607 38.615 38.000 0.013 0.000 1.401 743 I HN 0.412 nan 8.210 nan 0.000 0.485 744 I N 6.045 126.658 120.570 0.070 0.000 2.448 744 I HA 0.276 4.445 4.170 -0.000 0.000 0.281 744 I C -0.582 175.583 176.117 0.079 0.000 1.027 744 I CA -0.421 60.866 61.300 -0.021 0.000 1.111 744 I CB 1.054 38.879 38.000 -0.292 0.000 1.236 744 I HN 0.551 nan 8.210 nan 0.000 0.452 745 D N 5.108 125.536 120.400 0.047 0.000 2.800 745 D HA -0.188 4.452 4.640 -0.000 0.000 0.232 745 D C 1.137 177.473 176.300 0.060 0.000 1.137 745 D CA 1.635 55.662 54.000 0.044 0.000 0.718 745 D CB -1.040 39.788 40.800 0.046 0.000 1.084 745 D HN 1.120 nan 8.370 nan 0.000 0.432 746 G N -1.154 107.700 108.800 0.091 0.000 2.179 746 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 746 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 746 G C 0.262 175.407 174.900 0.408 0.000 0.977 746 G CA 0.382 45.567 45.100 0.142 0.000 0.641 746 G HN 0.488 nan 8.290 nan 0.000 0.533 747 I N 0.739 121.517 120.570 0.346 0.000 2.377 747 I HA 0.473 4.643 4.170 -0.000 0.000 0.293 747 I C 0.127 176.528 176.117 0.474 0.000 0.987 747 I CA -1.363 60.164 61.300 0.378 0.000 1.185 747 I CB 0.934 39.093 38.000 0.266 0.000 1.341 747 I HN 0.013 nan 8.210 nan 0.000 0.455 748 Y N 5.361 125.734 120.300 0.122 0.000 2.544 748 Y HA 0.200 4.750 4.550 -0.000 0.000 0.330 748 Y C 0.121 176.031 175.900 0.017 0.000 1.136 748 Y CA 0.162 58.322 58.100 0.101 0.000 1.417 748 Y CB -0.236 38.234 38.460 0.016 0.000 1.229 748 Y HN 0.457 nan 8.280 nan 0.000 0.532 749 H N 0.569 119.693 119.070 0.090 0.000 2.572 749 H HA 0.694 5.250 4.556 -0.001 0.000 0.359 749 H C -0.958 174.397 175.328 0.044 0.000 1.134 749 H CA -0.852 55.227 56.048 0.051 0.000 1.187 749 H CB 1.490 31.273 29.762 0.034 0.000 1.597 749 H HN 0.323 nan 8.280 nan 0.000 0.524 750 V N 3.039 123.036 119.914 0.139 0.000 2.769 750 V HA 0.258 4.378 4.120 -0.000 0.000 0.312 750 V C 0.162 176.347 176.094 0.151 0.000 1.061 750 V CA -0.962 61.433 62.300 0.159 0.000 0.931 750 V CB 2.122 34.092 31.823 0.245 0.000 1.010 750 V HN 0.731 nan 8.190 nan 0.000 0.433 751 M N 3.450 123.130 119.600 0.133 0.000 2.184 751 M HA 0.379 4.858 4.480 -0.000 0.000 0.351 751 M C -1.067 175.301 176.300 0.113 0.000 1.395 751 M CA 0.266 55.627 55.300 0.102 0.000 1.117 751 M CB 0.065 32.707 32.600 0.070 0.000 1.708 751 M HN 0.810 nan 8.290 nan 0.000 0.468 752 C N 3.493 122.852 119.300 0.099 0.000 2.712 752 C HA 0.553 5.013 4.460 -0.000 0.000 0.308 752 C C -0.178 174.846 174.990 0.057 0.000 1.201 752 C CA -1.281 57.798 59.018 0.100 0.000 1.554 752 C CB 1.609 29.434 27.740 0.141 0.000 2.117 752 C HN 0.669 nan 8.230 nan 0.000 0.480 753 V N 3.027 122.966 119.914 0.043 0.000 2.694 753 V HA 0.034 4.153 4.120 -0.000 0.000 0.306 753 V C 0.729 176.839 176.094 0.027 0.000 1.054 753 V CA 0.255 62.568 62.300 0.022 0.000 1.161 753 V CB -0.157 31.674 31.823 0.014 0.000 0.916 753 V HN 0.784 nan 8.190 nan 0.000 0.490 754 K N 2.702 123.111 120.400 0.016 0.000 2.336 754 K HA 0.404 4.724 4.320 -0.000 0.000 0.262 754 K C 0.565 177.175 176.600 0.017 0.000 0.992 754 K CA 0.075 56.372 56.287 0.016 0.000 0.927 754 K CB 0.480 32.985 32.500 0.008 0.000 0.956 754 K HN 0.867 nan 8.250 nan 0.000 0.495 755 A N 0.000 122.830 122.820 0.017 0.000 2.254 755 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 755 A CA 0.000 52.046 52.037 0.016 0.000 0.836 755 A CB 0.000 19.009 19.000 0.015 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486