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_B 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.614 32.600 0.024 0.000 1.302 2 K N 2.512 122.922 120.400 0.017 0.000 2.471 2 K HA 0.802 5.122 4.320 -0.000 0.000 0.252 2 K C -1.819 174.771 176.600 -0.017 0.000 0.938 2 K CA -0.594 55.693 56.287 0.001 0.000 0.796 2 K CB 2.170 34.677 32.500 0.012 0.000 1.161 2 K HN 0.535 nan 8.250 nan 0.000 0.425 3 V N 4.754 124.647 119.914 -0.034 0.000 2.459 3 V HA 0.378 4.498 4.120 -0.000 0.000 0.295 3 V C -0.630 175.441 176.094 -0.039 0.000 1.029 3 V CA -1.040 61.229 62.300 -0.052 0.000 0.874 3 V CB 1.423 33.196 31.823 -0.083 0.000 0.985 3 V HN 0.638 nan 8.190 nan 0.000 0.438 4 L N 6.525 127.729 121.223 -0.032 0.000 2.265 4 L HA 0.604 4.944 4.340 -0.000 0.000 0.289 4 L C -0.513 176.347 176.870 -0.016 0.000 1.033 4 L CA 0.316 55.141 54.840 -0.025 0.000 0.814 4 L CB 0.738 42.785 42.059 -0.020 0.000 1.203 4 L HN 0.531 nan 8.230 nan 0.000 0.423 5 I N 5.909 126.464 120.570 -0.025 0.000 2.339 5 I HA 0.353 4.522 4.170 -0.000 0.000 0.290 5 I C -0.730 175.368 176.117 -0.032 0.000 0.994 5 I CA -0.779 60.512 61.300 -0.015 0.000 1.191 5 I CB 1.758 39.740 38.000 -0.029 0.000 1.343 5 I HN 0.258 nan 8.210 nan 0.000 0.458 6 V N 6.397 126.298 119.914 -0.022 0.000 2.347 6 V HA 0.228 4.348 4.120 -0.000 0.000 0.280 6 V C -0.034 175.969 176.094 -0.151 0.000 1.021 6 V CA -0.648 61.576 62.300 -0.125 0.000 0.847 6 V CB 1.376 33.079 31.823 -0.201 0.000 0.990 6 V HN 0.674 nan 8.190 nan 0.000 0.444 7 E N 2.792 122.903 120.200 -0.149 0.000 2.089 7 E HA 0.230 4.579 4.350 -0.000 0.000 0.284 7 E C 0.184 176.646 176.600 -0.230 0.000 1.023 7 E CA -0.108 56.237 56.400 -0.092 0.000 0.819 7 E CB 1.132 30.855 29.700 0.037 0.000 1.076 7 E HN 0.662 nan 8.360 nan 0.000 0.396 8 S N 3.245 118.757 115.700 -0.314 0.000 2.626 8 S HA -0.103 4.366 4.470 -0.000 0.000 0.303 8 S C 1.408 175.796 174.600 -0.355 0.000 1.256 8 S CA -0.182 57.841 58.200 -0.294 0.000 1.069 8 S CB 0.420 63.737 63.200 0.194 0.000 0.807 8 S HN 0.589 nan 8.310 nan 0.000 0.500 9 E N 5.095 125.006 120.200 -0.482 0.000 2.347 9 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 9 E C 0.969 177.198 176.600 -0.619 0.000 1.008 9 E CA 1.010 56.818 56.400 -0.988 0.000 0.852 9 E CB -0.457 28.889 29.700 -0.589 0.000 0.783 9 E HN 0.844 nan 8.360 nan 0.000 0.505 10 F N 0.752 120.573 119.950 -0.215 0.000 2.722 10 F HA 0.105 4.631 4.527 -0.000 0.000 0.298 10 F C 1.751 177.493 175.800 -0.097 0.000 1.175 10 F CA 0.742 58.685 58.000 -0.095 0.000 1.462 10 F CB 0.117 39.129 39.000 0.021 0.000 1.111 10 F HN -0.031 nan 8.300 nan 0.000 0.592 11 L N -1.872 119.327 121.223 -0.039 0.000 3.360 11 L HA 0.131 4.471 4.340 -0.000 0.000 0.303 11 L C 1.357 178.199 176.870 -0.046 0.000 1.218 11 L CA -0.064 54.750 54.840 -0.044 0.000 1.059 11 L CB -0.189 41.861 42.059 -0.016 0.000 1.468 11 L HN -0.015 nan 8.230 nan 0.000 0.614 12 H N 1.181 120.180 119.070 -0.119 0.000 2.489 12 H HA -0.147 4.409 4.556 -0.000 0.000 0.295 12 H C 2.187 177.422 175.328 -0.155 0.000 1.082 12 H CA 1.369 57.335 56.048 -0.137 0.000 1.295 12 H CB 0.115 29.805 29.762 -0.120 0.000 1.380 12 H HN 0.457 nan 8.280 nan 0.000 0.548 13 Q N 0.811 120.589 119.800 -0.035 0.000 2.297 13 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 13 Q C -0.341 175.537 176.000 -0.203 0.000 0.962 13 Q CA 0.854 56.614 55.803 -0.073 0.000 0.879 13 Q CB -0.066 28.650 28.738 -0.037 0.000 0.947 13 Q HN 0.228 nan 8.270 nan 0.000 0.462 14 D N 2.719 122.868 120.400 -0.420 0.000 2.522 14 D HA 0.068 4.708 4.640 -0.000 0.000 0.218 14 D C 0.742 176.446 176.300 -0.994 0.000 1.149 14 D CA 0.310 53.633 54.000 -1.128 0.000 0.981 14 D CB 1.016 41.112 40.800 -1.174 0.000 1.041 14 D HN 0.327 nan 8.370 nan 0.000 0.518 15 T N -1.527 112.736 114.554 -0.484 0.000 2.849 15 T HA -0.207 4.143 4.350 -0.000 0.000 0.270 15 T C 1.851 176.522 174.700 -0.049 0.000 1.066 15 T CA 0.622 62.633 62.100 -0.148 0.000 1.130 15 T CB -0.509 68.375 68.868 0.026 0.000 0.864 15 T HN 0.620 nan 8.240 nan 0.000 0.481 16 W N 1.482 122.795 121.300 0.022 0.000 2.465 16 W HA 0.192 4.852 4.660 -0.000 0.000 0.268 16 W C 1.555 178.091 176.519 0.027 0.000 1.242 16 W CA 0.096 57.452 57.345 0.020 0.000 1.248 16 W CB -0.973 28.499 29.460 0.019 0.000 1.118 16 W HN 0.023 nan 8.180 nan 0.000 0.587 17 V N 2.486 122.228 119.914 -0.287 0.000 2.261 17 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 17 V C 2.635 178.700 176.094 -0.049 0.000 1.047 17 V CA 2.334 64.546 62.300 -0.146 0.000 1.015 17 V CB -1.600 30.086 31.823 -0.228 0.000 0.642 17 V HN 0.459 nan 8.190 nan 0.000 0.446 18 G N -0.115 108.641 108.800 -0.074 0.000 2.422 18 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 18 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 18 G C 1.357 176.248 174.900 -0.015 0.000 1.146 18 G CA 1.179 46.251 45.100 -0.047 0.000 0.769 18 G HN 0.637 nan 8.290 nan 0.000 0.547 19 N N 0.948 119.658 118.700 0.017 0.000 2.036 19 N HA -0.120 4.620 4.740 -0.000 0.000 0.195 19 N C 2.550 178.086 175.510 0.042 0.000 1.037 19 N CA 1.121 54.196 53.050 0.041 0.000 0.855 19 N CB -0.211 38.329 38.487 0.088 0.000 1.033 19 N HN 0.356 nan 8.380 nan 0.000 0.423 20 A N 0.782 123.641 122.820 0.066 0.000 1.933 20 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 20 A C 2.403 180.006 177.584 0.033 0.000 1.175 20 A CA 1.108 53.182 52.037 0.062 0.000 0.628 20 A CB -0.660 18.399 19.000 0.098 0.000 0.814 20 A HN 0.120 nan 8.150 nan 0.000 0.444 21 V N -0.223 119.702 119.914 0.020 0.000 2.358 21 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 21 V C 2.425 178.512 176.094 -0.011 0.000 1.047 21 V CA 2.179 64.480 62.300 0.001 0.000 1.035 21 V CB -0.721 31.098 31.823 -0.007 0.000 0.658 21 V HN 0.706 nan 8.190 nan 0.000 0.452 22 E N 0.096 120.289 120.200 -0.012 0.000 2.097 22 E HA -0.254 4.095 4.350 -0.000 0.000 0.196 22 E C 2.471 179.062 176.600 -0.015 0.000 1.000 22 E CA 1.416 57.806 56.400 -0.017 0.000 0.804 22 E CB -0.049 29.642 29.700 -0.015 0.000 0.740 22 E HN 0.507 nan 8.360 nan 0.000 0.454 23 R N -0.200 120.296 120.500 -0.007 0.000 2.148 23 R HA -0.112 4.228 4.340 -0.000 0.000 0.227 23 R C 2.353 178.640 176.300 -0.021 0.000 1.103 23 R CA 0.592 56.684 56.100 -0.013 0.000 0.983 23 R CB -0.153 30.142 30.300 -0.008 0.000 0.874 23 R HN 0.188 nan 8.270 nan 0.000 0.451 24 L N 0.549 121.761 121.223 -0.018 0.000 2.044 24 L HA 0.038 4.378 4.340 -0.000 0.000 0.205 24 L C 2.199 179.045 176.870 -0.039 0.000 1.075 24 L CA 1.730 56.553 54.840 -0.029 0.000 0.747 24 L CB -0.670 41.374 42.059 -0.025 0.000 0.903 24 L HN 0.060 nan 8.230 nan 0.000 0.435 25 A N -0.620 122.178 122.820 -0.036 0.000 1.877 25 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 25 A C 2.095 179.658 177.584 -0.034 0.000 1.186 25 A CA 1.888 53.901 52.037 -0.039 0.000 0.620 25 A CB -1.090 17.889 19.000 -0.036 0.000 0.822 25 A HN 0.564 nan 8.150 nan 0.000 0.443 26 D N -0.057 120.325 120.400 -0.029 0.000 2.116 26 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 26 D C 1.999 178.283 176.300 -0.027 0.000 0.998 26 D CA 1.975 55.960 54.000 -0.026 0.000 0.836 26 D CB -0.257 40.529 40.800 -0.023 0.000 0.951 26 D HN 0.349 nan 8.370 nan 0.000 0.449 27 A N -0.302 122.499 122.820 -0.031 0.000 1.969 27 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 27 A C 2.469 180.035 177.584 -0.030 0.000 1.169 27 A CA 0.943 52.962 52.037 -0.030 0.000 0.635 27 A CB -0.687 18.292 19.000 -0.035 0.000 0.810 27 A HN 0.364 nan 8.150 nan 0.000 0.445 28 L N -0.641 120.559 121.223 -0.039 0.000 2.046 28 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 28 L C 2.842 179.693 176.870 -0.032 0.000 1.077 28 L CA 1.498 56.312 54.840 -0.044 0.000 0.747 28 L CB -0.409 41.612 42.059 -0.062 0.000 0.896 28 L HN 0.294 nan 8.230 nan 0.000 0.432 29 S N -0.715 114.968 115.700 -0.028 0.000 2.382 29 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 29 S C 1.879 176.470 174.600 -0.016 0.000 1.027 29 S CA 1.085 59.272 58.200 -0.022 0.000 0.991 29 S CB -0.224 62.963 63.200 -0.021 0.000 0.823 29 S HN 0.444 nan 8.310 nan 0.000 0.469 30 Q N 0.464 120.254 119.800 -0.016 0.000 2.368 30 Q HA -0.063 4.277 4.340 -0.000 0.000 0.210 30 Q C 1.121 177.117 176.000 -0.007 0.000 0.982 30 Q CA 0.813 56.609 55.803 -0.011 0.000 0.884 30 Q CB -0.068 28.663 28.738 -0.012 0.000 0.933 30 Q HN 0.583 nan 8.270 nan 0.000 0.460 31 Q N -0.128 119.666 119.800 -0.009 0.000 2.186 31 Q HA 0.089 4.429 4.340 -0.000 0.000 0.241 31 Q C -0.399 175.598 176.000 -0.005 0.000 0.849 31 Q CA -0.304 55.496 55.803 -0.005 0.000 1.053 31 Q CB 0.456 29.191 28.738 -0.005 0.000 1.146 31 Q HN 0.262 nan 8.270 nan 0.000 0.475 32 N N -0.147 118.549 118.700 -0.007 0.000 2.741 32 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 32 N C -1.246 174.260 175.510 -0.006 0.000 1.115 32 N CA 0.404 53.451 53.050 -0.005 0.000 0.724 32 N CB -1.028 37.458 38.487 -0.000 0.000 1.090 32 N HN 0.066 nan 8.380 nan 0.000 0.558 33 V N 0.925 120.831 119.914 -0.013 0.000 2.432 33 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 33 V C 0.818 176.901 176.094 -0.019 0.000 1.043 33 V CA -0.317 61.973 62.300 -0.017 0.000 0.925 33 V CB 1.497 33.301 31.823 -0.031 0.000 0.985 33 V HN 0.255 nan 8.190 nan 0.000 0.466 34 T N 4.924 119.470 114.554 -0.014 0.000 2.814 34 T HA 0.365 4.715 4.350 -0.000 0.000 0.297 34 T C -0.105 174.581 174.700 -0.023 0.000 0.956 34 T CA -0.173 61.918 62.100 -0.016 0.000 1.123 34 T CB 0.923 69.786 68.868 -0.009 0.000 0.902 34 T HN 0.378 nan 8.240 nan 0.000 0.528 35 V N 5.397 125.295 119.914 -0.027 0.000 2.384 35 V HA 0.411 4.530 4.120 -0.000 0.000 0.287 35 V C 0.072 176.148 176.094 -0.030 0.000 1.020 35 V CA -0.832 61.448 62.300 -0.033 0.000 0.850 35 V CB 1.184 32.984 31.823 -0.038 0.000 0.987 35 V HN 0.780 nan 8.190 nan 0.000 0.436 36 I N 5.001 125.553 120.570 -0.030 0.000 2.321 36 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 36 I C 0.191 176.285 176.117 -0.037 0.000 0.998 36 I CA -0.413 60.869 61.300 -0.030 0.000 1.227 36 I CB 1.024 39.009 38.000 -0.025 0.000 1.368 36 I HN 0.441 nan 8.210 nan 0.000 0.466 37 K N 4.262 124.637 120.400 -0.040 0.000 2.213 37 K HA 0.497 4.817 4.320 -0.000 0.000 0.270 37 K C -0.564 176.003 176.600 -0.055 0.000 1.002 37 K CA -0.382 55.876 56.287 -0.048 0.000 0.868 37 K CB 1.864 34.335 32.500 -0.049 0.000 1.093 37 K HN 0.544 nan 8.250 nan 0.000 0.454 38 S N 0.897 116.556 115.700 -0.067 0.000 2.500 38 S HA 0.208 4.678 4.470 -0.000 0.000 0.301 38 S C 0.547 175.090 174.600 -0.094 0.000 1.092 38 S CA -0.673 57.477 58.200 -0.084 0.000 1.030 38 S CB 1.134 64.273 63.200 -0.101 0.000 1.031 38 S HN 0.693 nan 8.310 nan 0.000 0.483 39 T N 0.366 114.874 114.554 -0.077 0.000 3.105 39 T HA 0.389 4.739 4.350 -0.000 0.000 0.253 39 T C 0.304 175.018 174.700 0.024 0.000 1.047 39 T CA 0.263 62.354 62.100 -0.015 0.000 0.944 39 T CB -0.457 68.381 68.868 -0.050 0.000 1.016 39 T HN 0.792 nan 8.240 nan 0.000 0.544 40 S N -1.006 114.606 115.700 -0.147 0.000 2.567 40 S HA 0.559 5.029 4.470 -0.000 0.000 0.270 40 S C -0.140 174.231 174.600 -0.381 0.000 1.152 40 S CA -0.878 57.178 58.200 -0.239 0.000 0.835 40 S CB 0.262 63.387 63.200 -0.125 0.000 1.115 40 S HN -0.091 nan 8.310 nan 0.000 0.459 41 F N 1.450 121.210 119.950 -0.317 0.000 2.134 41 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 41 F C 2.034 177.082 175.800 -1.253 0.000 1.097 41 F CA 1.844 59.429 58.000 -0.692 0.000 1.264 41 F CB -0.717 37.935 39.000 -0.580 0.000 1.001 41 F HN 0.683 nan 8.300 nan 0.000 0.479 42 D N -0.360 119.692 120.400 -0.579 0.000 2.149 42 D HA -0.210 4.429 4.640 -0.000 0.000 0.198 42 D C 1.816 178.008 176.300 -0.180 0.000 0.990 42 D CA 1.627 55.430 54.000 -0.328 0.000 0.839 42 D CB -0.237 40.550 40.800 -0.021 0.000 0.948 42 D HN 0.244 nan 8.370 nan 0.000 0.460 43 D N -0.508 119.784 120.400 -0.179 0.000 2.097 43 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 43 D C 2.282 178.525 176.300 -0.094 0.000 0.984 43 D CA 1.548 55.488 54.000 -0.100 0.000 0.826 43 D CB -0.481 40.262 40.800 -0.095 0.000 0.973 43 D HN 0.170 nan 8.370 nan 0.000 0.460 44 G N -0.562 108.133 108.800 -0.176 0.000 2.469 44 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 44 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 44 G C 1.337 176.250 174.900 0.022 0.000 1.150 44 G CA 0.888 45.921 45.100 -0.110 0.000 0.763 44 G HN 0.235 nan 8.290 nan 0.000 0.561 45 F N 1.867 121.832 119.950 0.025 0.000 2.095 45 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 45 F C 3.066 178.867 175.800 0.000 0.000 1.104 45 F CA 0.406 58.412 58.000 0.010 0.000 1.232 45 F CB -1.225 37.786 39.000 0.018 0.000 0.987 45 F HN 0.271 nan 8.300 nan 0.000 0.475 46 A N 0.416 123.354 122.820 0.195 0.000 1.902 46 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 46 A C 2.338 179.960 177.584 0.065 0.000 1.181 46 A CA 1.731 53.832 52.037 0.107 0.000 0.623 46 A CB -1.179 17.862 19.000 0.070 0.000 0.818 46 A HN 0.375 nan 8.150 nan 0.000 0.443 47 I N -0.311 120.286 120.570 0.045 0.000 2.179 47 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 47 I C 2.190 178.327 176.117 0.033 0.000 1.088 47 I CA 1.183 62.498 61.300 0.025 0.000 1.357 47 I CB -0.321 37.682 38.000 0.005 0.000 1.051 47 I HN 0.267 nan 8.210 nan 0.000 0.409 48 L N -0.071 121.182 121.223 0.050 0.000 2.362 48 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 48 L C 2.020 178.915 176.870 0.040 0.000 1.134 48 L CA 0.747 55.612 54.840 0.043 0.000 0.807 48 L CB -0.376 41.713 42.059 0.050 0.000 0.927 48 L HN 0.190 nan 8.230 nan 0.000 0.447 49 S N -0.910 114.820 115.700 0.049 0.000 2.593 49 S HA 0.032 4.502 4.470 -0.000 0.000 0.217 49 S C 0.923 175.541 174.600 0.029 0.000 0.966 49 S CA -0.043 58.179 58.200 0.036 0.000 0.914 49 S CB -0.021 63.204 63.200 0.041 0.000 0.776 49 S HN 0.504 nan 8.310 nan 0.000 0.523 50 S N 2.524 118.240 115.700 0.027 0.000 2.713 50 S HA 0.286 4.756 4.470 -0.000 0.000 0.283 50 S C 0.476 175.088 174.600 0.020 0.000 1.161 50 S CA -0.801 57.411 58.200 0.020 0.000 0.999 50 S CB 0.444 63.653 63.200 0.016 0.000 1.039 50 S HN 0.299 nan 8.310 nan 0.000 0.548 51 N N -0.325 118.385 118.700 0.017 0.000 2.466 51 N HA -0.018 4.722 4.740 -0.000 0.000 0.211 51 N C -0.236 175.288 175.510 0.023 0.000 1.256 51 N CA -0.090 52.972 53.050 0.020 0.000 0.840 51 N CB -0.555 37.941 38.487 0.015 0.000 1.079 51 N HN 0.749 nan 8.380 nan 0.000 0.466 52 E N 0.905 121.119 120.200 0.022 0.000 2.166 52 E HA 0.369 4.719 4.350 -0.000 0.000 0.279 52 E C -0.757 175.861 176.600 0.031 0.000 1.095 52 E CA -0.420 55.993 56.400 0.021 0.000 0.888 52 E CB 0.227 29.935 29.700 0.014 0.000 1.041 52 E HN 0.358 nan 8.360 nan 0.000 0.414 53 A N 5.869 128.713 122.820 0.040 0.000 2.354 53 A HA 0.531 4.851 4.320 -0.000 0.000 0.281 53 A C -0.031 177.588 177.584 0.057 0.000 1.174 53 A CA -0.569 51.506 52.037 0.063 0.000 0.828 53 A CB -0.302 18.747 19.000 0.080 0.000 1.099 53 A HN 0.742 nan 8.150 nan 0.000 0.516 54 I N -1.083 119.517 120.570 0.049 0.000 2.785 54 I HA 0.553 4.723 4.170 -0.000 0.000 0.302 54 I C -0.512 175.599 176.117 -0.010 0.000 1.069 54 I CA -0.872 60.438 61.300 0.018 0.000 1.045 54 I CB 2.293 40.286 38.000 -0.013 0.000 1.236 54 I HN 0.437 nan 8.210 nan 0.000 0.429 55 D N 2.255 122.645 120.400 -0.017 0.000 2.366 55 D HA 0.147 4.787 4.640 -0.000 0.000 0.205 55 D C -0.195 175.999 176.300 -0.177 0.000 1.022 55 D CA 0.696 54.659 54.000 -0.063 0.000 0.868 55 D CB 0.893 41.753 40.800 0.100 0.000 0.953 55 D HN 0.502 nan 8.370 nan 0.000 0.514 56 C N 1.066 120.301 119.300 -0.109 0.000 3.006 56 C HA 0.526 4.985 4.460 -0.000 0.000 0.359 56 C C -1.844 173.126 174.990 -0.033 0.000 1.103 56 C CA -0.937 58.042 59.018 -0.065 0.000 1.286 56 C CB 0.768 28.457 27.740 -0.085 0.000 1.694 56 C HN 0.134 nan 8.230 nan 0.000 0.511 57 L N 6.333 127.574 121.223 0.030 0.000 2.313 57 L HA 0.806 5.146 4.340 -0.000 0.000 0.283 57 L C -0.559 176.418 176.870 0.177 0.000 1.013 57 L CA -0.084 54.795 54.840 0.064 0.000 0.816 57 L CB 1.240 43.318 42.059 0.031 0.000 1.236 57 L HN 0.770 nan 8.230 nan 0.000 0.419 58 M N 6.247 125.937 119.600 0.150 0.000 2.383 58 M HA 0.577 5.057 4.480 -0.000 0.000 0.325 58 M C -1.272 175.198 176.300 0.284 0.000 1.092 58 M CA -0.574 54.845 55.300 0.199 0.000 0.961 58 M CB 1.888 34.512 32.600 0.040 0.000 1.672 58 M HN 0.585 nan 8.290 nan 0.000 0.438 59 F N -0.264 119.727 119.950 0.068 0.000 2.619 59 F HA 0.845 5.372 4.527 -0.000 0.000 0.308 59 F C -0.643 175.227 175.800 0.117 0.000 1.097 59 F CA -1.156 56.873 58.000 0.048 0.000 0.953 59 F CB 0.800 39.842 39.000 0.070 0.000 1.287 59 F HN 0.603 nan 8.300 nan 0.000 0.446 60 S N 1.776 117.508 115.700 0.054 0.000 2.687 60 S HA 0.774 5.244 4.470 -0.000 0.000 0.283 60 S C -1.637 173.143 174.600 0.301 0.000 1.170 60 S CA -0.496 57.740 58.200 0.060 0.000 1.008 60 S CB 1.874 65.110 63.200 0.060 0.000 1.026 60 S HN 1.176 nan 8.310 nan 0.000 0.541 61 Y N 0.501 120.869 120.300 0.113 0.000 2.252 61 Y HA 0.235 4.785 4.550 -0.000 0.000 0.321 61 Y C 0.549 176.510 175.900 0.102 0.000 1.208 61 Y CA -1.226 56.993 58.100 0.197 0.000 1.258 61 Y CB 0.683 39.267 38.460 0.208 0.000 1.235 61 Y HN 0.979 nan 8.280 nan 0.000 0.408 62 Q N 5.442 125.367 119.800 0.208 0.000 2.124 62 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 62 Q C 0.476 176.379 176.000 -0.161 0.000 0.977 62 Q CA 2.640 58.461 55.803 0.030 0.000 0.850 62 Q CB -0.003 28.791 28.738 0.094 0.000 0.901 62 Q HN 0.885 nan 8.270 nan 0.000 0.429 63 M N -1.188 118.187 119.600 -0.375 0.000 2.818 63 M HA -0.276 4.204 4.480 -0.000 0.000 0.204 63 M C 0.084 176.246 176.300 -0.230 0.000 0.552 63 M CA 0.928 55.895 55.300 -0.554 0.000 0.687 63 M CB -1.544 30.734 32.600 -0.537 0.000 2.512 63 M HN 0.306 nan 8.290 nan 0.000 0.563 64 E N -0.557 119.521 120.200 -0.204 0.000 2.175 64 E HA 0.147 4.496 4.350 -0.000 0.000 0.195 64 E C 0.811 177.382 176.600 -0.048 0.000 0.934 64 E CA 0.087 56.457 56.400 -0.051 0.000 0.870 64 E CB 0.388 30.098 29.700 0.016 0.000 0.838 64 E HN 0.475 nan 8.360 nan 0.000 0.474 65 H N 0.670 119.588 119.070 -0.254 0.000 2.502 65 H HA 0.118 4.674 4.556 -0.000 0.000 0.327 65 H C -1.954 173.262 175.328 -0.187 0.000 1.099 65 H CA -2.173 53.773 56.048 -0.170 0.000 1.323 65 H CB 1.691 31.371 29.762 -0.137 0.000 1.450 65 H HN -0.110 nan 8.280 nan 0.000 0.502 66 P HA -0.134 nan 4.420 nan 0.000 0.216 66 P C 0.819 178.230 177.300 0.186 0.000 1.150 66 P CA 1.107 64.313 63.100 0.177 0.000 0.837 66 P CB 0.474 32.211 31.700 0.060 0.000 0.786 67 D N -0.786 119.839 120.400 0.375 0.000 2.149 67 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 67 D C 1.933 178.187 176.300 -0.077 0.000 0.990 67 D CA 1.067 55.183 54.000 0.193 0.000 0.839 67 D CB -0.478 40.463 40.800 0.236 0.000 0.948 67 D HN 0.340 nan 8.370 nan 0.000 0.460 68 E N -0.538 119.386 120.200 -0.460 0.000 2.046 68 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 68 E C 1.882 178.229 176.600 -0.422 0.000 0.982 68 E CA 0.569 56.525 56.400 -0.740 0.000 0.800 68 E CB 0.102 29.073 29.700 -1.216 0.000 0.756 68 E HN 0.389 nan 8.360 nan 0.000 0.449 69 H N 0.549 119.563 119.070 -0.092 0.000 2.353 69 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 69 H C 2.119 177.373 175.328 -0.124 0.000 1.103 69 H CA 1.700 57.751 56.048 0.005 0.000 1.293 69 H CB -0.202 29.603 29.762 0.071 0.000 1.372 69 H HN 0.367 nan 8.280 nan 0.000 0.501 70 Q N 0.616 120.417 119.800 0.001 0.000 2.079 70 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 70 Q C 1.745 177.664 176.000 -0.135 0.000 0.974 70 Q CA 0.971 56.747 55.803 -0.046 0.000 0.840 70 Q CB 0.181 28.918 28.738 -0.003 0.000 0.898 70 Q HN 0.310 nan 8.270 nan 0.000 0.430 71 N N 0.045 118.612 118.700 -0.222 0.000 2.104 71 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 71 N C 1.802 177.032 175.510 -0.466 0.000 1.024 71 N CA 1.317 54.203 53.050 -0.274 0.000 0.853 71 N CB -0.443 37.661 38.487 -0.638 0.000 1.008 71 N HN 0.074 nan 8.380 nan 0.000 0.424 72 V N 1.419 120.899 119.914 -0.724 0.000 2.261 72 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 72 V C 2.330 178.199 176.094 -0.375 0.000 1.047 72 V CA 1.520 63.421 62.300 -0.666 0.000 1.015 72 V CB -0.369 30.972 31.823 -0.804 0.000 0.642 72 V HN 0.290 nan 8.190 nan 0.000 0.446 73 R N -0.348 120.008 120.500 -0.240 0.000 2.096 73 R HA -0.251 4.089 4.340 -0.000 0.000 0.240 73 R C 2.412 178.617 176.300 -0.159 0.000 1.139 73 R CA 2.067 58.076 56.100 -0.151 0.000 0.952 73 R CB -0.416 29.831 30.300 -0.090 0.000 0.854 73 R HN 0.626 nan 8.270 nan 0.000 0.436 74 Q N 0.312 120.003 119.800 -0.181 0.000 2.084 74 Q HA -0.160 4.179 4.340 -0.000 0.000 0.202 74 Q C 2.243 178.113 176.000 -0.217 0.000 0.978 74 Q CA 1.209 56.850 55.803 -0.271 0.000 0.844 74 Q CB -0.165 28.285 28.738 -0.480 0.000 0.898 74 Q HN 0.229 nan 8.270 nan 0.000 0.426 75 L N 0.515 121.763 121.223 0.041 0.000 2.017 75 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 75 L C 1.981 178.804 176.870 -0.079 0.000 1.073 75 L CA 1.646 56.602 54.840 0.193 0.000 0.745 75 L CB -0.129 42.082 42.059 0.253 0.000 0.894 75 L HN 0.175 nan 8.230 nan 0.000 0.432 76 I N -0.743 119.700 120.570 -0.211 0.000 2.500 76 I HA -0.099 4.071 4.170 -0.000 0.000 0.252 76 I C 2.441 178.389 176.117 -0.280 0.000 1.142 76 I CA 0.891 61.999 61.300 -0.320 0.000 1.451 76 I CB -0.947 36.855 38.000 -0.329 0.000 1.093 76 I HN 0.403 nan 8.210 nan 0.000 0.430 77 G N 1.199 109.909 108.800 -0.150 0.000 2.418 77 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.217 77 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.217 77 G C 1.673 176.530 174.900 -0.071 0.000 1.158 77 G CA 1.013 46.067 45.100 -0.077 0.000 0.771 77 G HN 0.242 nan 8.290 nan 0.000 0.545 78 K N -0.105 120.235 120.400 -0.101 0.000 2.057 78 K HA 0.018 4.337 4.320 -0.000 0.000 0.207 78 K C 2.336 178.906 176.600 -0.050 0.000 1.049 78 K CA 1.018 57.265 56.287 -0.067 0.000 0.931 78 K CB -0.479 31.988 32.500 -0.056 0.000 0.714 78 K HN 0.220 nan 8.250 nan 0.000 0.440 79 L N 0.645 121.799 121.223 -0.114 0.000 2.042 79 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 79 L C 1.433 178.283 176.870 -0.034 0.000 1.076 79 L CA 2.023 56.783 54.840 -0.134 0.000 0.749 79 L CB -0.465 41.406 42.059 -0.314 0.000 0.893 79 L HN 0.390 nan 8.230 nan 0.000 0.432 80 H N -1.595 117.466 119.070 -0.016 0.000 2.539 80 H HA 0.059 4.615 4.556 -0.000 0.000 0.267 80 H C 1.665 176.992 175.328 -0.001 0.000 0.982 80 H CA 0.195 56.239 56.048 -0.006 0.000 1.146 80 H CB 0.387 30.142 29.762 -0.012 0.000 1.382 80 H HN 0.517 nan 8.280 nan 0.000 0.577 81 E N 0.905 121.163 120.200 0.097 0.000 2.028 81 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 81 E C 1.569 178.200 176.600 0.051 0.000 0.988 81 E CA 0.907 57.339 56.400 0.053 0.000 0.799 81 E CB 0.225 29.938 29.700 0.021 0.000 0.755 81 E HN 0.375 nan 8.360 nan 0.000 0.447 82 R N -0.568 119.966 120.500 0.057 0.000 2.476 82 R HA 0.169 4.508 4.340 -0.000 0.000 0.276 82 R C 0.277 176.629 176.300 0.088 0.000 0.941 82 R CA 0.081 56.214 56.100 0.056 0.000 1.088 82 R CB 0.846 31.171 30.300 0.040 0.000 1.216 82 R HN 0.045 nan 8.270 nan 0.000 0.533 83 Q N 0.485 120.355 119.800 0.117 0.000 2.506 83 Q HA 0.084 4.424 4.340 -0.000 0.000 0.380 83 Q C 0.287 176.420 176.000 0.223 0.000 0.867 83 Q CA -0.127 55.772 55.803 0.160 0.000 1.093 83 Q CB 1.517 30.322 28.738 0.111 0.000 1.388 83 Q HN 0.173 nan 8.270 nan 0.000 0.400 84 Q N 1.367 121.272 119.800 0.175 0.000 2.133 84 Q HA -0.214 4.126 4.340 -0.000 0.000 0.208 84 Q C 0.324 176.309 176.000 -0.025 0.000 0.991 84 Q CA 2.126 57.976 55.803 0.079 0.000 0.867 84 Q CB 0.136 28.890 28.738 0.027 0.000 0.911 84 Q HN 0.461 nan 8.270 nan 0.000 0.417 85 N N -0.807 117.978 118.700 0.142 0.000 2.238 85 N HA 0.162 4.902 4.740 -0.000 0.000 0.222 85 N C -1.321 174.253 175.510 0.107 0.000 1.133 85 N CA -0.331 52.801 53.050 0.138 0.000 0.854 85 N CB 1.307 39.926 38.487 0.220 0.000 1.041 85 N HN -0.068 nan 8.380 nan 0.000 0.510 86 V N 3.609 123.485 119.914 -0.063 0.000 2.485 86 V HA 0.083 4.203 4.120 -0.000 0.000 0.287 86 V C -1.746 174.297 176.094 -0.084 0.000 1.022 86 V CA -1.192 60.852 62.300 -0.426 0.000 1.067 86 V CB 0.092 31.713 31.823 -0.335 0.000 0.967 86 V HN 0.152 nan 8.190 nan 0.000 0.479 87 P HA 0.157 nan 4.420 nan 0.000 0.268 87 P C -0.751 176.623 177.300 0.124 0.000 1.205 87 P CA 0.045 63.174 63.100 0.048 0.000 0.771 87 P CB 1.035 32.800 31.700 0.108 0.000 0.858 88 V N 4.367 124.339 119.914 0.097 0.000 2.448 88 V HA 0.355 4.475 4.120 -0.000 0.000 0.295 88 V C -0.217 175.910 176.094 0.054 0.000 1.025 88 V CA -0.369 62.021 62.300 0.150 0.000 0.859 88 V CB 0.951 32.845 31.823 0.118 0.000 0.988 88 V HN 0.336 nan 8.190 nan 0.000 0.431 89 F N 4.735 124.695 119.950 0.017 0.000 2.426 89 F HA 0.543 5.070 4.527 -0.000 0.000 0.348 89 F C -0.122 175.590 175.800 -0.146 0.000 1.124 89 F CA -0.757 57.189 58.000 -0.089 0.000 1.008 89 F CB 1.764 40.720 39.000 -0.072 0.000 1.139 89 F HN 0.334 nan 8.300 nan 0.000 0.452 90 L N 5.873 126.964 121.223 -0.221 0.000 2.283 90 L HA 0.367 4.707 4.340 -0.000 0.000 0.287 90 L C -0.761 176.025 176.870 -0.140 0.000 1.073 90 L CA -0.025 54.565 54.840 -0.417 0.000 0.822 90 L CB 0.084 42.015 42.059 -0.214 0.000 1.186 90 L HN 0.466 nan 8.230 nan 0.000 0.436 91 L N 6.938 128.070 121.223 -0.152 0.000 2.375 91 L HA 0.473 4.813 4.340 -0.000 0.000 0.276 91 L C 0.773 177.696 176.870 0.089 0.000 1.162 91 L CA -0.203 54.650 54.840 0.021 0.000 0.991 91 L CB -0.353 41.713 42.059 0.012 0.000 1.315 91 L HN 0.820 nan 8.230 nan 0.000 0.431 92 G N 0.900 109.857 108.800 0.263 0.000 2.788 92 G HA2 0.322 4.282 3.960 -0.000 0.000 0.293 92 G HA3 0.322 4.282 3.960 -0.000 0.000 0.293 92 G C -1.533 173.576 174.900 0.349 0.000 1.305 92 G CA -0.467 44.828 45.100 0.326 0.000 1.005 92 G HN 0.389 nan 8.290 nan 0.000 0.496 93 D N -0.902 119.595 120.400 0.161 0.000 2.317 93 D HA 0.159 4.799 4.640 -0.000 0.000 0.252 93 D C 1.572 177.696 176.300 -0.293 0.000 1.174 93 D CA -0.440 53.558 54.000 -0.005 0.000 0.866 93 D CB 1.192 41.977 40.800 -0.026 0.000 1.127 93 D HN 0.388 nan 8.370 nan 0.000 0.467 94 R N 3.383 123.478 120.500 -0.675 0.000 2.094 94 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 94 R C 1.201 177.036 176.300 -0.774 0.000 1.137 94 R CA 1.696 56.909 56.100 -1.479 0.000 0.943 94 R CB 0.009 29.415 30.300 -1.490 0.000 0.850 94 R HN 0.625 nan 8.270 nan 0.000 0.433 95 E N 0.314 120.253 120.200 -0.436 0.000 2.047 95 E HA -0.174 4.175 4.350 -0.000 0.000 0.191 95 E C 2.148 178.626 176.600 -0.204 0.000 0.987 95 E CA 1.225 57.462 56.400 -0.272 0.000 0.799 95 E CB -0.035 29.556 29.700 -0.181 0.000 0.752 95 E HN 0.400 nan 8.360 nan 0.000 0.449 96 K N 0.761 121.060 120.400 -0.169 0.000 2.057 96 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 96 K C 2.248 178.785 176.600 -0.106 0.000 1.049 96 K CA 1.125 57.340 56.287 -0.119 0.000 0.931 96 K CB -0.162 32.276 32.500 -0.103 0.000 0.714 96 K HN 0.039 nan 8.250 nan 0.000 0.440 97 A N 1.502 124.257 122.820 -0.108 0.000 1.877 97 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 97 A C 2.111 179.664 177.584 -0.051 0.000 1.186 97 A CA 1.253 53.294 52.037 0.007 0.000 0.620 97 A CB -0.643 18.497 19.000 0.233 0.000 0.822 97 A HN 0.155 nan 8.150 nan 0.000 0.443 98 L N -0.900 120.226 121.223 -0.161 0.000 2.141 98 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 98 L C 3.065 179.878 176.870 -0.095 0.000 1.094 98 L CA 0.932 55.685 54.840 -0.145 0.000 0.763 98 L CB -0.686 41.262 42.059 -0.185 0.000 0.908 98 L HN 0.462 nan 8.230 nan 0.000 0.437 99 A N 0.399 123.163 122.820 -0.092 0.000 1.902 99 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 99 A C 2.335 179.896 177.584 -0.039 0.000 1.181 99 A CA 1.663 53.661 52.037 -0.063 0.000 0.623 99 A CB -0.517 18.444 19.000 -0.065 0.000 0.818 99 A HN 0.385 nan 8.150 nan 0.000 0.443 100 A N -1.576 121.229 122.820 -0.026 0.000 2.238 100 A HA 0.372 4.692 4.320 -0.000 0.000 0.208 100 A C 1.005 178.607 177.584 0.030 0.000 1.177 100 A CA 0.354 52.393 52.037 0.003 0.000 0.804 100 A CB -0.643 18.373 19.000 0.026 0.000 0.823 100 A HN 0.508 nan 8.150 nan 0.000 0.482 101 M N 2.437 122.043 119.600 0.010 0.000 2.356 101 M HA 0.311 4.791 4.480 -0.000 0.000 0.348 101 M C -0.599 175.720 176.300 0.032 0.000 1.595 101 M CA -0.161 55.153 55.300 0.023 0.000 1.095 101 M CB -0.500 32.085 32.600 -0.026 0.000 1.963 101 M HN 0.530 nan 8.290 nan 0.000 0.459 102 D N 2.805 123.242 120.400 0.062 0.000 2.792 102 D HA 0.263 4.903 4.640 -0.000 0.000 0.335 102 D C -0.007 176.335 176.300 0.071 0.000 1.353 102 D CA -0.689 53.341 54.000 0.051 0.000 0.839 102 D CB 0.460 41.279 40.800 0.032 0.000 1.396 102 D HN 0.509 nan 8.370 nan 0.000 0.479 103 R N -0.537 119.995 120.500 0.053 0.000 2.105 103 R HA -0.075 4.265 4.340 -0.000 0.000 0.239 103 R C 0.769 177.108 176.300 0.065 0.000 1.135 103 R CA 1.782 57.915 56.100 0.055 0.000 0.967 103 R CB -0.329 29.992 30.300 0.037 0.000 0.861 103 R HN 0.466 nan 8.270 nan 0.000 0.442 104 D N 0.624 121.061 120.400 0.061 0.000 2.144 104 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 104 D C 1.829 178.191 176.300 0.104 0.000 0.978 104 D CA 0.794 54.834 54.000 0.066 0.000 0.833 104 D CB -0.165 40.663 40.800 0.047 0.000 0.961 104 D HN 0.064 nan 8.370 nan 0.000 0.470 105 L N 0.732 122.038 121.223 0.138 0.000 2.046 105 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 105 L C 2.152 179.155 176.870 0.220 0.000 1.077 105 L CA 1.312 56.282 54.840 0.216 0.000 0.747 105 L CB -0.432 41.783 42.059 0.259 0.000 0.896 105 L HN -0.002 nan 8.230 nan 0.000 0.432 106 L N -0.828 120.507 121.223 0.187 0.000 2.291 106 L HA -0.100 4.240 4.340 -0.000 0.000 0.214 106 L C 2.368 179.296 176.870 0.096 0.000 1.120 106 L CA 0.464 55.400 54.840 0.159 0.000 0.799 106 L CB -0.653 41.491 42.059 0.142 0.000 0.925 106 L HN 0.282 nan 8.230 nan 0.000 0.446 107 E N 0.397 120.650 120.200 0.087 0.000 2.152 107 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 107 E C 2.312 178.968 176.600 0.093 0.000 0.983 107 E CA 0.923 57.365 56.400 0.069 0.000 0.818 107 E CB -0.113 29.621 29.700 0.057 0.000 0.758 107 E HN 0.506 nan 8.360 nan 0.000 0.467 108 L N 0.139 121.424 121.223 0.103 0.000 2.095 108 L HA 0.002 4.342 4.340 -0.000 0.000 0.204 108 L C 0.756 177.689 176.870 0.105 0.000 1.080 108 L CA 0.554 55.455 54.840 0.101 0.000 0.759 108 L CB 0.152 42.279 42.059 0.113 0.000 0.914 108 L HN -0.159 nan 8.230 nan 0.000 0.439 109 V N 0.045 119.999 119.914 0.068 0.000 2.444 109 V HA 0.145 4.265 4.120 -0.000 0.000 0.294 109 V C 0.002 175.957 176.094 -0.231 0.000 1.022 109 V CA -0.556 61.692 62.300 -0.086 0.000 0.850 109 V CB 1.752 33.452 31.823 -0.204 0.000 0.992 109 V HN 0.121 nan 8.190 nan 0.000 0.426 110 D N 2.088 122.333 120.400 -0.259 0.000 2.162 110 D HA 0.059 4.698 4.640 -0.000 0.000 0.205 110 D C 0.463 176.467 176.300 -0.492 0.000 0.964 110 D CA 0.922 54.756 54.000 -0.277 0.000 0.847 110 D CB 0.783 41.470 40.800 -0.189 0.000 0.988 110 D HN 0.488 nan 8.370 nan 0.000 0.480 111 E N -0.186 119.525 120.200 -0.815 0.000 2.314 111 E HA 0.352 4.702 4.350 -0.000 0.000 0.272 111 E C -1.160 174.802 176.600 -1.064 0.000 0.884 111 E CA -0.623 55.191 56.400 -0.978 0.000 0.753 111 E CB 2.037 30.758 29.700 -1.631 0.000 1.213 111 E HN -0.112 nan 8.360 nan 0.000 0.432 112 F N 0.810 120.465 119.950 -0.493 0.000 2.444 112 F HA 0.601 5.128 4.527 -0.000 0.000 0.342 112 F C 0.271 175.661 175.800 -0.683 0.000 1.121 112 F CA -0.790 56.852 58.000 -0.596 0.000 0.997 112 F CB 1.908 40.423 39.000 -0.810 0.000 1.130 112 F HN 0.379 nan 8.300 nan 0.000 0.454 113 A N 3.664 126.291 122.820 -0.321 0.000 2.340 113 A HA 0.464 4.784 4.320 -0.000 0.000 0.297 113 A C -1.486 176.119 177.584 0.034 0.000 1.195 113 A CA -0.647 51.287 52.037 -0.171 0.000 0.769 113 A CB 0.226 19.283 19.000 0.095 0.000 1.163 113 A HN 0.910 nan 8.150 nan 0.000 0.472 114 W N 3.977 125.362 121.300 0.142 0.000 2.351 114 W HA 0.226 4.886 4.660 -0.000 0.000 0.421 114 W C 1.052 177.630 176.519 0.098 0.000 1.000 114 W CA -0.697 56.713 57.345 0.108 0.000 1.610 114 W CB 0.290 29.804 29.460 0.090 0.000 1.700 114 W HN 0.763 nan 8.180 nan 0.000 0.351 115 I N 2.797 123.559 120.570 0.320 0.000 2.423 115 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 115 I C 1.564 177.789 176.117 0.180 0.000 1.151 115 I CA 1.798 63.216 61.300 0.198 0.000 1.421 115 I CB 0.053 38.140 38.000 0.146 0.000 1.079 115 I HN 0.421 nan 8.210 nan 0.000 0.431 116 L N -0.602 120.744 121.223 0.206 0.000 2.667 116 L HA 0.211 4.551 4.340 -0.000 0.000 0.232 116 L C 1.163 178.123 176.870 0.149 0.000 1.138 116 L CA 0.192 55.139 54.840 0.178 0.000 0.921 116 L CB -0.188 41.995 42.059 0.206 0.000 1.180 116 L HN 0.206 nan 8.230 nan 0.000 0.487 117 E N -1.239 119.070 120.200 0.182 0.000 2.702 117 E HA 0.089 4.438 4.350 -0.000 0.000 0.225 117 E C -0.560 176.152 176.600 0.186 0.000 0.942 117 E CA -0.085 56.418 56.400 0.172 0.000 1.210 117 E CB 1.193 31.015 29.700 0.204 0.000 1.143 117 E HN 0.125 nan 8.360 nan 0.000 0.544 118 D N -0.040 120.465 120.400 0.175 0.000 2.477 118 D HA 0.245 4.885 4.640 -0.000 0.000 0.234 118 D C -0.765 175.570 176.300 0.059 0.000 1.048 118 D CA -0.421 53.678 54.000 0.165 0.000 0.959 118 D CB 1.871 42.792 40.800 0.201 0.000 1.408 118 D HN -0.274 nan 8.370 nan 0.000 0.496 119 T N 1.322 115.852 114.554 -0.040 0.000 2.851 119 T HA 0.410 4.759 4.350 -0.000 0.000 0.298 119 T C 1.329 175.925 174.700 -0.173 0.000 0.977 119 T CA 0.025 61.961 62.100 -0.273 0.000 1.126 119 T CB 1.362 69.690 68.868 -0.900 0.000 0.916 119 T HN 0.425 nan 8.240 nan 0.000 0.529 120 A N 3.427 126.174 122.820 -0.122 0.000 1.903 120 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 120 A C 2.101 179.652 177.584 -0.054 0.000 1.191 120 A CA 1.752 53.752 52.037 -0.062 0.000 0.638 120 A CB -0.537 18.430 19.000 -0.055 0.000 0.823 120 A HN 0.799 nan 8.150 nan 0.000 0.451 121 D N -0.953 119.376 120.400 -0.117 0.000 2.149 121 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 121 D C 1.631 178.026 176.300 0.158 0.000 0.990 121 D CA 1.086 55.067 54.000 -0.032 0.000 0.839 121 D CB -0.352 40.399 40.800 -0.083 0.000 0.948 121 D HN 0.439 nan 8.370 nan 0.000 0.460 122 F N 0.697 120.655 119.950 0.015 0.000 2.113 122 F HA -0.007 4.520 4.527 -0.000 0.000 0.297 122 F C 2.469 178.283 175.800 0.022 0.000 1.103 122 F CA 0.100 58.113 58.000 0.021 0.000 1.248 122 F CB -1.065 37.952 39.000 0.029 0.000 0.999 122 F HN -0.025 nan 8.300 nan 0.000 0.475 123 I N -0.068 120.628 120.570 0.211 0.000 2.202 123 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 123 I C 2.643 178.775 176.117 0.025 0.000 1.091 123 I CA 1.195 62.566 61.300 0.118 0.000 1.368 123 I CB -0.855 37.191 38.000 0.076 0.000 1.058 123 I HN 0.041 nan 8.210 nan 0.000 0.410 124 A N 1.073 123.895 122.820 0.004 0.000 1.917 124 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 124 A C 2.424 180.001 177.584 -0.013 0.000 1.182 124 A CA 2.143 54.156 52.037 -0.040 0.000 0.633 124 A CB -1.504 17.482 19.000 -0.023 0.000 0.819 124 A HN 0.491 nan 8.150 nan 0.000 0.448 125 G N -0.858 107.975 108.800 0.054 0.000 2.408 125 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 125 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 125 G C 1.735 176.672 174.900 0.062 0.000 1.150 125 G CA 0.737 45.875 45.100 0.064 0.000 0.776 125 G HN 0.560 nan 8.290 nan 0.000 0.542 126 R N 0.503 121.058 120.500 0.092 0.000 2.092 126 R HA 0.064 4.404 4.340 -0.000 0.000 0.231 126 R C 2.961 179.374 176.300 0.188 0.000 1.119 126 R CA 1.022 57.218 56.100 0.161 0.000 0.970 126 R CB -0.365 30.084 30.300 0.248 0.000 0.864 126 R HN 0.353 nan 8.270 nan 0.000 0.440 127 A N 0.907 123.697 122.820 -0.050 0.000 1.898 127 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 127 A C 2.392 179.939 177.584 -0.062 0.000 1.181 127 A CA 1.166 53.040 52.037 -0.271 0.000 0.620 127 A CB -0.473 18.193 19.000 -0.556 0.000 0.819 127 A HN 0.084 nan 8.150 nan 0.000 0.442 128 V N -0.043 119.854 119.914 -0.029 0.000 2.295 128 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 128 V C 3.081 179.200 176.094 0.042 0.000 1.049 128 V CA 1.956 64.260 62.300 0.006 0.000 1.024 128 V CB -1.291 30.536 31.823 0.007 0.000 0.648 128 V HN 0.623 nan 8.190 nan 0.000 0.447 129 A N 0.140 122.994 122.820 0.058 0.000 1.873 129 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 129 A C 2.439 180.080 177.584 0.095 0.000 1.193 129 A CA 2.582 54.661 52.037 0.069 0.000 0.629 129 A CB -1.017 18.024 19.000 0.069 0.000 0.826 129 A HN 0.609 nan 8.150 nan 0.000 0.447 130 A N -0.972 121.930 122.820 0.138 0.000 1.933 130 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 130 A C 2.286 179.969 177.584 0.165 0.000 1.175 130 A CA 1.878 54.017 52.037 0.170 0.000 0.628 130 A CB -0.531 18.643 19.000 0.291 0.000 0.814 130 A HN 0.555 nan 8.150 nan 0.000 0.444 131 M N -0.920 118.758 119.600 0.131 0.000 2.132 131 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 131 M C 2.256 178.656 176.300 0.166 0.000 1.065 131 M CA 1.900 57.288 55.300 0.147 0.000 1.122 131 M CB -0.655 31.991 32.600 0.077 0.000 1.365 131 M HN 0.457 nan 8.290 nan 0.000 0.411 132 T N 0.137 114.753 114.554 0.104 0.000 2.652 132 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 132 T C 1.833 176.576 174.700 0.073 0.000 1.039 132 T CA 1.253 63.397 62.100 0.072 0.000 1.153 132 T CB -0.311 68.586 68.868 0.047 0.000 0.863 132 T HN 0.372 nan 8.240 nan 0.000 0.428 133 R N -0.401 120.153 120.500 0.089 0.000 2.091 133 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 133 R C 2.340 178.699 176.300 0.099 0.000 1.136 133 R CA 1.490 57.637 56.100 0.077 0.000 0.959 133 R CB -0.536 29.810 30.300 0.078 0.000 0.856 133 R HN 0.455 nan 8.270 nan 0.000 0.437 134 Y N 1.512 121.828 120.300 0.027 0.000 2.070 134 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 134 Y C 2.424 178.335 175.900 0.018 0.000 1.148 134 Y CA 1.516 59.633 58.100 0.028 0.000 1.125 134 Y CB -0.260 38.227 38.460 0.045 0.000 0.975 134 Y HN -0.151 nan 8.280 nan 0.000 0.492 135 R N 0.204 120.646 120.500 -0.097 0.000 2.120 135 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 135 R C 2.215 178.414 176.300 -0.168 0.000 1.123 135 R CA 1.829 57.815 56.100 -0.189 0.000 0.975 135 R CB -0.233 30.051 30.300 -0.025 0.000 0.866 135 R HN 0.567 nan 8.270 nan 0.000 0.446 136 Q N -0.222 119.517 119.800 -0.101 0.000 2.224 136 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 136 Q C 1.592 177.521 176.000 -0.118 0.000 0.970 136 Q CA 1.656 57.406 55.803 -0.090 0.000 0.865 136 Q CB 0.192 28.901 28.738 -0.049 0.000 0.922 136 Q HN 0.388 nan 8.270 nan 0.000 0.445 137 Q N -0.722 118.988 119.800 -0.150 0.000 2.282 137 Q HA 0.026 4.366 4.340 -0.000 0.000 0.206 137 Q C 1.440 177.321 176.000 -0.198 0.000 0.878 137 Q CA 0.178 55.893 55.803 -0.147 0.000 0.944 137 Q CB -0.112 28.569 28.738 -0.094 0.000 1.100 137 Q HN 0.216 nan 8.270 nan 0.000 0.509 138 L N 0.149 121.203 121.223 -0.282 0.000 2.017 138 L HA 0.154 4.494 4.340 -0.000 0.000 0.208 138 L C 0.304 177.095 176.870 -0.133 0.000 1.073 138 L CA 1.450 56.108 54.840 -0.303 0.000 0.745 138 L CB -0.057 41.774 42.059 -0.380 0.000 0.894 138 L HN 0.327 nan 8.230 nan 0.000 0.432 139 L N 1.274 122.437 121.223 -0.099 0.000 2.334 139 L HA 0.355 4.695 4.340 -0.000 0.000 0.277 139 L C -1.899 174.950 176.870 -0.034 0.000 1.075 139 L CA -2.133 52.701 54.840 -0.011 0.000 0.804 139 L CB 0.397 42.441 42.059 -0.024 0.000 1.174 139 L HN 0.055 nan 8.230 nan 0.000 0.438 140 P HA 0.136 nan 4.420 nan 0.000 0.272 140 P C -2.340 174.933 177.300 -0.045 0.000 1.240 140 P CA -1.381 61.710 63.100 -0.016 0.000 0.791 140 P CB 0.204 32.029 31.700 0.207 0.000 0.978 141 P HA -0.075 nan 4.420 nan 0.000 0.220 141 P C 1.564 178.792 177.300 -0.121 0.000 1.152 141 P CA 0.700 63.719 63.100 -0.135 0.000 0.812 141 P CB 0.032 31.639 31.700 -0.156 0.000 0.792 142 L N -1.073 120.099 121.223 -0.086 0.000 2.049 142 L HA 0.022 4.362 4.340 -0.000 0.000 0.203 142 L C 2.394 179.210 176.870 -0.089 0.000 1.074 142 L CA 1.531 56.260 54.840 -0.185 0.000 0.749 142 L CB -1.716 40.194 42.059 -0.248 0.000 0.907 142 L HN -0.203 nan 8.230 nan 0.000 0.439 143 F N -0.146 119.740 119.950 -0.106 0.000 2.095 143 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 143 F C 2.808 178.571 175.800 -0.061 0.000 1.104 143 F CA 1.772 59.734 58.000 -0.064 0.000 1.232 143 F CB -1.106 37.883 39.000 -0.019 0.000 0.987 143 F HN 0.233 nan 8.300 nan 0.000 0.475 144 S N 0.006 115.513 115.700 -0.320 0.000 2.365 144 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 144 S C 2.305 176.736 174.600 -0.281 0.000 1.039 144 S CA 1.661 59.634 58.200 -0.378 0.000 1.033 144 S CB -0.934 62.136 63.200 -0.216 0.000 0.887 144 S HN 0.580 nan 8.310 nan 0.000 0.447 145 A N 1.068 123.766 122.820 -0.204 0.000 1.898 145 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 145 A C 2.216 179.740 177.584 -0.102 0.000 1.181 145 A CA 1.255 53.199 52.037 -0.155 0.000 0.620 145 A CB -0.715 18.174 19.000 -0.184 0.000 0.819 145 A HN 0.565 nan 8.150 nan 0.000 0.442 146 L N -1.275 119.877 121.223 -0.117 0.000 2.012 146 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 146 L C 2.875 179.749 176.870 0.006 0.000 1.073 146 L CA 1.841 56.681 54.840 0.000 0.000 0.748 146 L CB -0.508 41.591 42.059 0.067 0.000 0.891 146 L HN 0.470 nan 8.230 nan 0.000 0.431 147 M N -0.186 119.321 119.600 -0.156 0.000 2.073 147 M HA -0.287 4.193 4.480 -0.000 0.000 0.258 147 M C 2.395 178.651 176.300 -0.074 0.000 1.070 147 M CA 1.979 57.170 55.300 -0.182 0.000 1.103 147 M CB -0.152 32.154 32.600 -0.491 0.000 1.321 147 M HN 0.144 nan 8.290 nan 0.000 0.405 148 K N -1.146 119.207 120.400 -0.078 0.000 2.057 148 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 148 K C 1.902 178.553 176.600 0.085 0.000 1.049 148 K CA 1.596 57.876 56.287 -0.011 0.000 0.931 148 K CB -0.427 32.057 32.500 -0.027 0.000 0.714 148 K HN 0.342 nan 8.250 nan 0.000 0.440 149 Y N 1.871 122.149 120.300 -0.036 0.000 2.314 149 Y HA -0.189 4.361 4.550 -0.000 0.000 0.293 149 Y C 2.478 178.402 175.900 0.040 0.000 1.129 149 Y CA 1.248 59.344 58.100 -0.008 0.000 1.201 149 Y CB -0.478 37.959 38.460 -0.037 0.000 0.999 149 Y HN 0.098 nan 8.280 nan 0.000 0.541 150 S N -0.657 115.029 115.700 -0.023 0.000 2.399 150 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 150 S C 1.573 176.218 174.600 0.076 0.000 1.022 150 S CA 1.620 59.834 58.200 0.023 0.000 0.983 150 S CB -0.559 62.748 63.200 0.177 0.000 0.803 150 S HN 0.440 nan 8.310 nan 0.000 0.480 151 D N 1.667 122.098 120.400 0.052 0.000 2.350 151 D HA 0.057 4.697 4.640 -0.000 0.000 0.216 151 D C 1.511 177.832 176.300 0.036 0.000 0.968 151 D CA 1.174 55.207 54.000 0.055 0.000 0.894 151 D CB -0.159 40.664 40.800 0.038 0.000 0.909 151 D HN 0.838 nan 8.370 nan 0.000 0.520 152 I N -3.204 117.365 120.570 -0.001 0.000 4.240 152 I HA 0.263 4.433 4.170 -0.000 0.000 0.331 152 I C 0.086 176.147 176.117 -0.094 0.000 1.381 152 I CA -0.522 60.775 61.300 -0.005 0.000 1.136 152 I CB 0.078 38.113 38.000 0.059 0.000 1.137 152 I HN -0.244 nan 8.210 nan 0.000 0.411 153 H N 2.711 121.554 119.070 -0.379 0.000 2.548 153 H HA 0.389 4.945 4.556 -0.000 0.000 0.331 153 H C -0.202 174.832 175.328 -0.489 0.000 1.093 153 H CA -0.024 55.632 56.048 -0.652 0.000 1.367 153 H CB 1.115 30.187 29.762 -1.150 0.000 1.455 153 H HN 0.206 nan 8.280 nan 0.000 0.519 154 E N 4.139 123.766 120.200 -0.954 0.000 2.070 154 E HA 0.031 4.381 4.350 -0.000 0.000 0.282 154 E C -0.553 175.485 176.600 -0.937 0.000 1.104 154 E CA 0.093 56.078 56.400 -0.691 0.000 0.876 154 E CB -0.222 29.268 29.700 -0.351 0.000 1.055 154 E HN 0.660 nan 8.360 nan 0.000 0.401 155 Y N 1.795 121.853 120.300 -0.404 0.000 2.578 155 Y HA 0.082 4.632 4.550 -0.000 0.000 0.297 155 Y C 0.808 176.525 175.900 -0.305 0.000 1.176 155 Y CA 0.265 58.224 58.100 -0.234 0.000 1.315 155 Y CB 0.367 38.780 38.460 -0.079 0.000 1.031 155 Y HN 0.260 nan 8.280 nan 0.000 0.524 156 S N -1.637 113.829 115.700 -0.390 0.000 2.669 156 S HA 0.114 4.584 4.470 -0.000 0.000 0.270 156 S C -0.506 173.753 174.600 -0.568 0.000 1.225 156 S CA -0.656 57.065 58.200 -0.798 0.000 0.991 156 S CB 0.102 62.382 63.200 -1.532 0.000 0.987 156 S HN 0.549 nan 8.310 nan 0.000 0.552 157 W N -0.497 120.794 121.300 -0.015 0.000 5.538 157 W HA -0.124 4.536 4.660 -0.000 0.000 0.377 157 W C 0.073 176.589 176.519 -0.004 0.000 1.406 157 W CA 0.139 57.476 57.345 -0.012 0.000 0.940 157 W CB -2.075 27.375 29.460 -0.016 0.000 2.536 157 W HN 0.742 nan 8.180 nan 0.000 1.504 158 A N -0.389 122.480 122.820 0.081 0.000 2.555 158 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 158 A C -0.313 177.283 177.584 0.020 0.000 1.060 158 A CA -0.436 51.642 52.037 0.067 0.000 0.710 158 A CB 0.555 19.600 19.000 0.076 0.000 1.282 158 A HN 1.076 nan 8.150 nan 0.000 0.399 159 A N 2.949 125.781 122.820 0.020 0.000 2.351 159 A HA 0.755 5.075 4.320 -0.000 0.000 0.257 159 A C -2.153 175.415 177.584 -0.027 0.000 1.087 159 A CA -1.166 50.857 52.037 -0.022 0.000 0.798 159 A CB -0.445 18.548 19.000 -0.012 0.000 1.033 159 A HN 0.616 nan 8.150 nan 0.000 0.488 160 P HA 0.176 nan 4.420 nan 0.000 0.274 160 P C 0.974 178.100 177.300 -0.291 0.000 1.231 160 P CA 0.233 63.215 63.100 -0.196 0.000 0.790 160 P CB 0.815 32.362 31.700 -0.255 0.000 0.951 161 G N 1.656 110.334 108.800 -0.203 0.000 2.448 161 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.219 161 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.219 161 G C 1.190 175.967 174.900 -0.205 0.000 1.127 161 G CA 0.992 45.995 45.100 -0.163 0.000 0.766 161 G HN 0.755 nan 8.290 nan 0.000 0.552 162 H N -0.954 118.023 119.070 -0.154 0.000 2.489 162 H HA 0.066 4.622 4.556 -0.000 0.000 0.295 162 H C 0.899 176.151 175.328 -0.128 0.000 1.082 162 H CA 0.864 56.750 56.048 -0.270 0.000 1.295 162 H CB -0.562 28.918 29.762 -0.470 0.000 1.380 162 H HN 0.388 nan 8.280 nan 0.000 0.548 163 Q N 0.378 120.057 119.800 -0.202 0.000 2.417 163 Q HA -0.184 4.156 4.340 -0.000 0.000 0.362 163 Q C 0.947 176.953 176.000 0.010 0.000 1.384 163 Q CA 0.467 56.253 55.803 -0.029 0.000 1.017 163 Q CB -1.618 27.080 28.738 -0.066 0.000 1.157 163 Q HN 1.019 nan 8.270 nan 0.000 0.313 164 G N -0.025 108.749 108.800 -0.042 0.000 2.296 164 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.282 164 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.282 164 G C 0.882 175.859 174.900 0.128 0.000 1.014 164 G CA 1.063 45.968 45.100 -0.325 0.000 0.812 164 G HN 1.872 nan 8.290 nan 0.000 0.508 165 G N -3.123 105.927 108.800 0.417 0.000 2.194 165 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 165 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 165 G C 1.347 176.329 174.900 0.137 0.000 0.987 165 G CA 0.977 46.231 45.100 0.258 0.000 0.635 165 G HN 1.384 nan 8.290 nan 0.000 0.520 166 V N 1.477 121.414 119.914 0.037 0.000 2.332 166 V HA -0.059 4.061 4.120 -0.000 0.000 0.248 166 V C 3.171 179.204 176.094 -0.101 0.000 1.055 166 V CA 3.230 65.489 62.300 -0.069 0.000 1.038 166 V CB -1.195 30.584 31.823 -0.073 0.000 0.651 166 V HN 0.807 nan 8.190 nan 0.000 0.450 167 G N -0.435 108.285 108.800 -0.133 0.000 2.469 167 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 167 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 167 G C 1.418 176.179 174.900 -0.232 0.000 1.150 167 G CA 1.151 46.117 45.100 -0.223 0.000 0.763 167 G HN 0.471 nan 8.290 nan 0.000 0.561 168 F N 1.672 121.569 119.950 -0.088 0.000 2.202 168 F HA -0.078 4.448 4.527 -0.000 0.000 0.301 168 F C 3.140 178.896 175.800 -0.072 0.000 1.082 168 F CA 1.597 59.554 58.000 -0.073 0.000 1.313 168 F CB -0.975 37.978 39.000 -0.079 0.000 1.024 168 F HN 0.235 nan 8.300 nan 0.000 0.495 169 T N -2.249 112.302 114.554 -0.005 0.000 3.098 169 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 169 T C 1.602 176.284 174.700 -0.029 0.000 1.145 169 T CA 0.862 62.912 62.100 -0.084 0.000 1.092 169 T CB -0.432 68.304 68.868 -0.221 0.000 0.908 169 T HN 0.284 nan 8.240 nan 0.000 0.526 170 K N 1.341 121.730 120.400 -0.018 0.000 2.418 170 K HA 0.084 4.404 4.320 -0.000 0.000 0.195 170 K C 1.017 177.620 176.600 0.004 0.000 1.035 170 K CA 0.772 57.048 56.287 -0.019 0.000 1.003 170 K CB 0.204 32.682 32.500 -0.038 0.000 0.793 170 K HN 0.644 nan 8.250 nan 0.000 0.494 171 T N -2.702 111.871 114.554 0.031 0.000 2.924 171 T HA 0.289 4.639 4.350 -0.000 0.000 0.291 171 T C -2.457 172.286 174.700 0.071 0.000 1.045 171 T CA -2.193 59.932 62.100 0.041 0.000 1.015 171 T CB 2.042 70.933 68.868 0.038 0.000 1.103 171 T HN -0.313 nan 8.240 nan 0.000 0.496 172 P HA 0.047 nan 4.420 nan 0.000 0.216 172 P C 1.672 179.063 177.300 0.151 0.000 1.153 172 P CA 1.323 64.481 63.100 0.098 0.000 0.844 172 P CB -0.290 31.452 31.700 0.070 0.000 0.787 173 A N 0.260 123.150 122.820 0.117 0.000 1.865 173 A HA -0.104 4.215 4.320 -0.000 0.000 0.217 173 A C 2.553 180.279 177.584 0.235 0.000 1.191 173 A CA 2.235 54.357 52.037 0.141 0.000 0.623 173 A CB -1.990 17.049 19.000 0.064 0.000 0.826 173 A HN 0.269 nan 8.150 nan 0.000 0.444 174 G N -0.515 108.409 108.800 0.206 0.000 2.442 174 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 174 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 174 G C 1.702 176.814 174.900 0.353 0.000 1.141 174 G CA 1.439 46.722 45.100 0.305 0.000 0.763 174 G HN 0.572 nan 8.290 nan 0.000 0.554 175 R N 0.041 120.686 120.500 0.242 0.000 2.066 175 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 175 R C 2.142 178.578 176.300 0.227 0.000 1.131 175 R CA 1.400 57.610 56.100 0.184 0.000 0.955 175 R CB -1.048 29.316 30.300 0.106 0.000 0.851 175 R HN 0.331 nan 8.270 nan 0.000 0.432 176 F N 0.119 120.152 119.950 0.138 0.000 2.095 176 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 176 F C 2.032 177.933 175.800 0.169 0.000 1.104 176 F CA 2.020 60.095 58.000 0.126 0.000 1.232 176 F CB -0.672 38.376 39.000 0.080 0.000 0.987 176 F HN 0.199 nan 8.300 nan 0.000 0.475 177 Y N 0.307 120.815 120.300 0.347 0.000 2.114 177 Y HA -0.376 4.174 4.550 -0.000 0.000 0.282 177 Y C 2.891 178.920 175.900 0.215 0.000 1.165 177 Y CA 2.482 60.735 58.100 0.255 0.000 1.148 177 Y CB -1.232 37.317 38.460 0.148 0.000 0.972 177 Y HN 0.315 nan 8.280 nan 0.000 0.504 178 H N -0.169 118.850 119.070 -0.085 0.000 2.321 178 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 178 H C 1.372 176.664 175.328 -0.060 0.000 1.087 178 H CA 2.120 58.045 56.048 -0.205 0.000 1.319 178 H CB -0.199 29.492 29.762 -0.118 0.000 1.379 178 H HN 0.426 nan 8.280 nan 0.000 0.501 179 D N -0.260 120.165 120.400 0.041 0.000 2.149 179 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 179 D C 2.052 178.221 176.300 -0.217 0.000 0.972 179 D CA 0.658 54.621 54.000 -0.061 0.000 0.835 179 D CB -0.714 40.034 40.800 -0.086 0.000 0.966 179 D HN 0.419 nan 8.370 nan 0.000 0.476 180 Y N 0.018 120.056 120.300 -0.438 0.000 2.165 180 Y HA -0.293 4.257 4.550 -0.000 0.000 0.286 180 Y C 1.748 177.323 175.900 -0.541 0.000 1.155 180 Y CA 1.694 59.488 58.100 -0.510 0.000 1.164 180 Y CB -0.278 37.870 38.460 -0.521 0.000 0.978 180 Y HN 0.018 nan 8.280 nan 0.000 0.513 181 Y N -0.172 119.985 120.300 -0.239 0.000 2.490 181 Y HA 0.276 4.826 4.550 -0.000 0.000 0.285 181 Y C 1.382 177.062 175.900 -0.366 0.000 1.117 181 Y CA 0.421 58.316 58.100 -0.342 0.000 1.262 181 Y CB -0.026 38.170 38.460 -0.440 0.000 1.043 181 Y HN 0.173 nan 8.280 nan 0.000 0.553 182 G N 1.122 109.801 108.800 -0.202 0.000 2.733 182 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.686 182 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.686 182 G C 0.505 175.282 174.900 -0.207 0.000 1.373 182 G CA -0.059 44.913 45.100 -0.213 0.000 0.838 182 G HN 0.440 nan 8.290 nan 0.000 0.588 183 E N 0.321 120.444 120.200 -0.128 0.000 2.106 183 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 183 E C 1.900 178.512 176.600 0.020 0.000 0.984 183 E CA 1.164 57.574 56.400 0.016 0.000 0.806 183 E CB -0.149 29.614 29.700 0.107 0.000 0.750 183 E HN 0.393 nan 8.360 nan 0.000 0.458 184 N N 1.180 119.858 118.700 -0.036 0.000 2.149 184 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 184 N C 1.850 177.313 175.510 -0.078 0.000 1.019 184 N CA 1.019 54.059 53.050 -0.017 0.000 0.857 184 N CB -0.429 38.064 38.487 0.011 0.000 0.997 184 N HN 0.209 nan 8.380 nan 0.000 0.426 185 L N 0.260 121.324 121.223 -0.266 0.000 2.013 185 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 185 L C 1.672 178.287 176.870 -0.425 0.000 1.073 185 L CA 1.685 56.258 54.840 -0.445 0.000 0.753 185 L CB -0.786 40.791 42.059 -0.803 0.000 0.890 185 L HN -0.014 nan 8.230 nan 0.000 0.432 186 F N -0.385 119.532 119.950 -0.055 0.000 2.259 186 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 186 F C 2.547 178.410 175.800 0.104 0.000 1.088 186 F CA 0.986 58.993 58.000 0.012 0.000 1.358 186 F CB -0.666 38.315 39.000 -0.031 0.000 1.040 186 F HN -0.012 nan 8.300 nan 0.000 0.505 187 R N -0.187 120.400 120.500 0.144 0.000 2.148 187 R HA -0.072 4.268 4.340 -0.000 0.000 0.223 187 R C 2.012 178.479 176.300 0.279 0.000 1.088 187 R CA 1.710 57.843 56.100 0.054 0.000 0.985 187 R CB -0.767 29.555 30.300 0.038 0.000 0.880 187 R HN 0.364 nan 8.270 nan 0.000 0.451 188 T N -2.141 112.545 114.554 0.220 0.000 3.100 188 T HA -0.036 4.314 4.350 -0.000 0.000 0.253 188 T C 0.665 175.543 174.700 0.297 0.000 1.118 188 T CA 0.085 62.348 62.100 0.271 0.000 1.058 188 T CB 0.038 69.053 68.868 0.244 0.000 0.953 188 T HN -0.102 nan 8.240 nan 0.000 0.515 189 D N 1.920 122.476 120.400 0.259 0.000 2.545 189 D HA 0.244 4.883 4.640 -0.000 0.000 0.227 189 D C -0.246 176.175 176.300 0.203 0.000 1.150 189 D CA -0.029 54.100 54.000 0.216 0.000 1.046 189 D CB -0.547 40.447 40.800 0.323 0.000 1.098 189 D HN 0.466 nan 8.370 nan 0.000 0.502 190 M N 0.781 120.427 119.600 0.077 0.000 2.598 190 M HA 0.522 5.002 4.480 -0.000 0.000 0.317 190 M C 1.082 177.291 176.300 -0.152 0.000 1.201 190 M CA -1.039 54.290 55.300 0.048 0.000 0.971 190 M CB 1.979 34.603 32.600 0.039 0.000 1.657 190 M HN 0.123 nan 8.290 nan 0.000 0.470 191 G N 0.558 109.343 108.800 -0.025 0.000 2.535 191 G HA2 0.470 4.430 3.960 -0.000 0.000 0.282 191 G HA3 0.470 4.430 3.960 -0.000 0.000 0.282 191 G C -0.581 174.374 174.900 0.091 0.000 1.350 191 G CA -0.814 44.270 45.100 -0.027 0.000 1.039 191 G HN 0.800 nan 8.290 nan 0.000 0.509 192 I N 0.249 120.880 120.570 0.101 0.000 2.671 192 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 192 I C -0.296 175.916 176.117 0.159 0.000 1.148 192 I CA 0.243 61.631 61.300 0.147 0.000 1.386 192 I CB 0.234 38.282 38.000 0.079 0.000 1.406 192 I HN 0.190 nan 8.210 nan 0.000 0.540 193 E N 7.853 128.171 120.200 0.197 0.000 3.167 193 E HA 0.179 4.528 4.350 -0.000 0.000 0.212 193 E C 0.592 177.222 176.600 0.050 0.000 1.143 193 E CA -0.204 56.295 56.400 0.165 0.000 1.002 193 E CB 0.866 30.741 29.700 0.291 0.000 1.315 193 E HN 0.691 nan 8.360 nan 0.000 0.422 194 R N 0.015 120.544 120.500 0.048 0.000 2.092 194 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 194 R C 2.290 178.579 176.300 -0.019 0.000 1.119 194 R CA 2.052 58.164 56.100 0.021 0.000 0.970 194 R CB 0.013 30.329 30.300 0.027 0.000 0.864 194 R HN 0.329 nan 8.270 nan 0.000 0.440 195 T N -2.090 112.446 114.554 -0.031 0.000 2.951 195 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 195 T C 1.788 176.416 174.700 -0.119 0.000 1.073 195 T CA 1.327 63.398 62.100 -0.050 0.000 1.134 195 T CB 0.067 68.921 68.868 -0.023 0.000 0.884 195 T HN 0.024 nan 8.240 nan 0.000 0.479 196 S N 1.857 117.420 115.700 -0.229 0.000 2.321 196 S HA 0.210 4.680 4.470 -0.000 0.000 0.188 196 S C 1.839 176.248 174.600 -0.319 0.000 1.080 196 S CA 0.411 58.338 58.200 -0.455 0.000 1.198 196 S CB -0.588 61.882 63.200 -1.216 0.000 0.926 196 S HN 0.213 nan 8.310 nan 0.000 0.426 197 L N 1.216 122.262 121.223 -0.295 0.000 2.093 197 L HA 0.197 4.537 4.340 -0.000 0.000 0.208 197 L C 1.595 178.492 176.870 0.044 0.000 1.085 197 L CA 1.856 56.626 54.840 -0.117 0.000 0.755 197 L CB -2.203 39.864 42.059 0.014 0.000 0.904 197 L HN 0.716 nan 8.230 nan 0.000 0.435 198 G N -1.129 107.720 108.800 0.080 0.000 2.500 198 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.209 198 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.209 198 G C -0.577 174.391 174.900 0.114 0.000 1.283 198 G CA -0.132 45.041 45.100 0.122 0.000 0.960 198 G HN 0.388 nan 8.290 nan 0.000 0.528 199 S N -1.339 114.351 115.700 -0.017 0.000 2.547 199 S HA 0.591 5.061 4.470 -0.000 0.000 0.281 199 S C 0.960 175.205 174.600 -0.592 0.000 1.118 199 S CA 0.448 58.458 58.200 -0.317 0.000 0.947 199 S CB 1.636 64.752 63.200 -0.140 0.000 1.053 199 S HN 1.901 nan 8.310 nan 0.000 0.482 200 L N 4.678 125.280 121.223 -1.035 0.000 1.970 200 L HA 0.049 4.389 4.340 -0.000 0.000 0.212 200 L C 1.736 178.243 176.870 -0.604 0.000 1.071 200 L CA 2.061 56.470 54.840 -0.719 0.000 0.751 200 L CB -0.854 40.917 42.059 -0.479 0.000 0.889 200 L HN 0.804 nan 8.230 nan 0.000 0.432 201 L N -0.369 120.647 121.223 -0.344 0.000 2.191 201 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 201 L C 1.867 178.619 176.870 -0.197 0.000 1.103 201 L CA 1.458 56.175 54.840 -0.205 0.000 0.769 201 L CB -1.034 41.043 42.059 0.030 0.000 0.908 201 L HN 0.341 nan 8.230 nan 0.000 0.438 202 D N -2.133 118.183 120.400 -0.140 0.000 2.354 202 D HA 0.006 4.646 4.640 -0.000 0.000 0.209 202 D C 0.241 176.671 176.300 0.218 0.000 1.015 202 D CA 0.142 54.210 54.000 0.114 0.000 0.867 202 D CB 0.010 40.855 40.800 0.074 0.000 0.933 202 D HN 0.340 nan 8.370 nan 0.000 0.520 203 H N 0.211 119.310 119.070 0.049 0.000 2.756 203 H HA -0.127 4.429 4.556 -0.000 0.000 0.315 203 H C 0.176 175.502 175.328 -0.003 0.000 1.210 203 H CA 1.129 57.185 56.048 0.012 0.000 1.150 203 H CB -2.386 27.370 29.762 -0.011 0.000 1.463 203 H HN 0.243 nan 8.280 nan 0.000 0.427 204 T N -3.670 110.930 114.554 0.076 0.000 2.927 204 T HA 0.659 5.009 4.350 -0.000 0.000 0.286 204 T C 1.287 176.039 174.700 0.087 0.000 1.040 204 T CA 0.088 62.219 62.100 0.051 0.000 1.010 204 T CB 3.043 71.928 68.868 0.029 0.000 1.177 204 T HN 0.682 nan 8.240 nan 0.000 0.546 205 G N 1.066 109.887 108.800 0.035 0.000 2.651 205 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.315 205 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.315 205 G C 1.220 176.119 174.900 -0.001 0.000 1.258 205 G CA 1.057 46.166 45.100 0.014 0.000 1.002 205 G HN 1.731 nan 8.290 nan 0.000 0.551 206 A N -1.325 121.463 122.820 -0.052 0.000 2.016 206 A HA 0.482 4.801 4.320 -0.000 0.000 0.217 206 A C 2.211 179.686 177.584 -0.182 0.000 1.162 206 A CA 1.976 53.916 52.037 -0.162 0.000 0.662 206 A CB -0.308 18.521 19.000 -0.286 0.000 0.812 206 A HN 0.694 nan 8.150 nan 0.000 0.450 207 F N 0.444 120.351 119.950 -0.072 0.000 2.216 207 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 207 F C 2.539 178.339 175.800 0.000 0.000 1.085 207 F CA 1.154 59.126 58.000 -0.048 0.000 1.326 207 F CB -0.568 38.375 39.000 -0.094 0.000 1.027 207 F HN 0.295 nan 8.300 nan 0.000 0.497 208 G N -0.744 108.147 108.800 0.151 0.000 2.396 208 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.214 208 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.214 208 G C 1.524 176.451 174.900 0.044 0.000 1.166 208 G CA 0.398 45.544 45.100 0.076 0.000 0.793 208 G HN 0.303 nan 8.290 nan 0.000 0.533 209 E N 0.232 120.446 120.200 0.023 0.000 2.118 209 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 209 E C 2.676 179.325 176.600 0.081 0.000 0.992 209 E CA 1.153 57.564 56.400 0.017 0.000 0.804 209 E CB -0.079 29.601 29.700 -0.034 0.000 0.741 209 E HN 0.419 nan 8.360 nan 0.000 0.458 210 S N 0.242 116.000 115.700 0.097 0.000 2.368 210 S HA -0.168 4.301 4.470 -0.000 0.000 0.224 210 S C 1.750 176.502 174.600 0.254 0.000 1.029 210 S CA 1.104 59.425 58.200 0.201 0.000 0.988 210 S CB -0.065 63.227 63.200 0.152 0.000 0.838 210 S HN 0.223 nan 8.310 nan 0.000 0.462 211 E N 0.614 120.935 120.200 0.201 0.000 2.077 211 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 211 E C 2.243 178.905 176.600 0.103 0.000 0.989 211 E CA 1.124 57.629 56.400 0.174 0.000 0.800 211 E CB -0.080 29.679 29.700 0.098 0.000 0.746 211 E HN 0.504 nan 8.360 nan 0.000 0.452 212 K N -0.010 120.441 120.400 0.086 0.000 2.057 212 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 212 K C 2.145 178.835 176.600 0.150 0.000 1.049 212 K CA 1.242 57.575 56.287 0.077 0.000 0.931 212 K CB -0.251 32.278 32.500 0.049 0.000 0.714 212 K HN 0.135 nan 8.250 nan 0.000 0.440 213 Y N 1.515 121.838 120.300 0.039 0.000 2.145 213 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 213 Y C 2.156 178.103 175.900 0.079 0.000 1.145 213 Y CA 1.135 59.265 58.100 0.051 0.000 1.148 213 Y CB -0.781 37.709 38.460 0.049 0.000 0.981 213 Y HN 0.040 nan 8.280 nan 0.000 0.507 214 A N 0.762 123.571 122.820 -0.018 0.000 1.892 214 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 214 A C 2.513 180.109 177.584 0.020 0.000 1.188 214 A CA 2.573 54.538 52.037 -0.119 0.000 0.631 214 A CB -1.607 17.211 19.000 -0.302 0.000 0.822 214 A HN 0.644 nan 8.150 nan 0.000 0.447 215 A N -0.509 122.347 122.820 0.060 0.000 1.877 215 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 215 A C 2.252 179.870 177.584 0.057 0.000 1.186 215 A CA 1.646 53.735 52.037 0.087 0.000 0.620 215 A CB -0.513 18.530 19.000 0.073 0.000 0.822 215 A HN 0.564 nan 8.150 nan 0.000 0.443 216 R N -0.857 119.673 120.500 0.050 0.000 2.080 216 R HA -0.120 4.220 4.340 -0.000 0.000 0.236 216 R C 2.071 178.374 176.300 0.005 0.000 1.137 216 R CA 1.721 57.846 56.100 0.041 0.000 0.943 216 R CB -0.615 29.737 30.300 0.087 0.000 0.846 216 R HN 0.397 nan 8.270 nan 0.000 0.431 217 V N -0.113 119.779 119.914 -0.037 0.000 2.453 217 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 217 V C 1.532 177.572 176.094 -0.090 0.000 1.048 217 V CA 1.514 63.770 62.300 -0.074 0.000 1.049 217 V CB -0.319 31.370 31.823 -0.222 0.000 0.672 217 V HN 0.188 nan 8.190 nan 0.000 0.457 218 F N 0.588 120.468 119.950 -0.116 0.000 2.797 218 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 218 F C 1.690 177.346 175.800 -0.240 0.000 1.130 218 F CA 0.556 58.418 58.000 -0.230 0.000 1.387 218 F CB -0.350 38.294 39.000 -0.593 0.000 1.107 218 F HN 0.257 nan 8.300 nan 0.000 0.577 219 G N 1.290 110.066 108.800 -0.040 0.000 2.333 219 G HA2 0.005 3.965 3.960 -0.000 0.000 0.296 219 G HA3 0.005 3.965 3.960 -0.000 0.000 0.296 219 G C -0.093 174.808 174.900 0.002 0.000 1.059 219 G CA 0.064 45.145 45.100 -0.032 0.000 1.050 219 G HN 0.687 nan 8.290 nan 0.000 0.508 220 A N -0.647 122.193 122.820 0.032 0.000 2.423 220 A HA 0.802 5.122 4.320 -0.000 0.000 0.304 220 A C 0.901 178.524 177.584 0.064 0.000 1.104 220 A CA 0.179 52.255 52.037 0.066 0.000 0.757 220 A CB 1.007 20.092 19.000 0.142 0.000 1.313 220 A HN 0.070 nan 8.150 nan 0.000 0.423 221 D N 0.053 120.489 120.400 0.060 0.000 2.144 221 D HA -0.011 4.629 4.640 -0.000 0.000 0.200 221 D C 0.351 176.675 176.300 0.039 0.000 0.978 221 D CA 1.416 55.449 54.000 0.054 0.000 0.833 221 D CB 0.242 41.067 40.800 0.041 0.000 0.961 221 D HN 0.444 nan 8.370 nan 0.000 0.470 222 R N -0.552 119.984 120.500 0.060 0.000 2.566 222 R HA 0.326 4.666 4.340 -0.000 0.000 0.271 222 R C -1.319 175.054 176.300 0.122 0.000 1.071 222 R CA -0.352 55.764 56.100 0.028 0.000 0.915 222 R CB 2.278 32.589 30.300 0.018 0.000 1.228 222 R HN -0.122 nan 8.270 nan 0.000 0.449 223 S N 1.212 116.942 115.700 0.049 0.000 2.607 223 S HA 0.611 5.081 4.470 -0.000 0.000 0.303 223 S C -1.461 173.135 174.600 -0.006 0.000 1.086 223 S CA -0.726 57.566 58.200 0.154 0.000 0.995 223 S CB 1.331 64.623 63.200 0.154 0.000 1.084 223 S HN 0.409 nan 8.310 nan 0.000 0.507 224 W N 1.046 122.446 121.300 0.167 0.000 2.554 224 W HA 0.572 5.232 4.660 -0.000 0.000 0.324 224 W C 0.248 176.916 176.519 0.248 0.000 1.018 224 W CA -0.581 56.886 57.345 0.203 0.000 1.243 224 W CB 1.349 30.941 29.460 0.220 0.000 1.345 224 W HN 0.569 nan 8.180 nan 0.000 0.441 225 S N 2.035 117.949 115.700 0.356 0.000 2.548 225 S HA 0.674 5.143 4.470 -0.000 0.000 0.277 225 S C -0.652 174.073 174.600 0.209 0.000 1.315 225 S CA -0.127 58.080 58.200 0.012 0.000 1.050 225 S CB 0.419 63.642 63.200 0.039 0.000 0.918 225 S HN 0.292 nan 8.310 nan 0.000 0.497 226 V N 4.871 124.807 119.914 0.037 0.000 2.789 226 V HA 0.418 4.538 4.120 -0.000 0.000 0.311 226 V C 0.452 176.574 176.094 0.047 0.000 1.073 226 V CA -0.604 61.776 62.300 0.133 0.000 0.921 226 V CB 2.136 34.023 31.823 0.106 0.000 1.009 226 V HN 0.879 nan 8.190 nan 0.000 0.426 227 V N 1.742 121.691 119.914 0.058 0.000 3.276 227 V HA 0.323 4.443 4.120 -0.000 0.000 0.319 227 V C 0.120 176.219 176.094 0.008 0.000 1.427 227 V CA 0.062 62.385 62.300 0.039 0.000 1.102 227 V CB 0.805 32.669 31.823 0.070 0.000 1.020 227 V HN 0.526 nan 8.190 nan 0.000 0.456 228 V N 1.525 121.436 119.914 -0.006 0.000 2.915 228 V HA 0.763 4.882 4.120 -0.000 0.000 0.364 228 V C 1.319 177.409 176.094 -0.007 0.000 1.354 228 V CA 0.103 62.392 62.300 -0.018 0.000 1.213 228 V CB -0.729 31.072 31.823 -0.038 0.000 1.268 228 V HN 0.940 nan 8.190 nan 0.000 0.557 229 G N 1.433 110.241 108.800 0.014 0.000 2.749 229 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.242 229 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.242 229 G C 0.667 175.592 174.900 0.042 0.000 1.364 229 G CA 0.218 45.356 45.100 0.063 0.000 0.888 229 G HN 0.321 nan 8.290 nan 0.000 0.566 230 T N 0.720 115.298 114.554 0.041 0.000 2.995 230 T HA 0.011 4.361 4.350 -0.000 0.000 0.269 230 T C 2.751 177.449 174.700 -0.002 0.000 1.091 230 T CA 1.830 63.930 62.100 0.000 0.000 1.128 230 T CB -0.301 68.542 68.868 -0.041 0.000 0.891 230 T HN 0.641 nan 8.240 nan 0.000 0.492 231 S N 1.318 117.028 115.700 0.017 0.000 2.369 231 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 231 S C 2.440 177.015 174.600 -0.042 0.000 1.043 231 S CA 1.537 59.761 58.200 0.040 0.000 1.074 231 S CB -0.988 62.255 63.200 0.071 0.000 0.962 231 S HN 0.664 nan 8.310 nan 0.000 0.433 232 G N 0.651 109.418 108.800 -0.055 0.000 2.402 232 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 232 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 232 G C 1.595 176.403 174.900 -0.153 0.000 1.162 232 G CA 1.086 46.117 45.100 -0.115 0.000 0.777 232 G HN 0.515 nan 8.290 nan 0.000 0.539 233 S N 1.044 116.698 115.700 -0.077 0.000 2.356 233 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 233 S C 2.383 176.915 174.600 -0.113 0.000 1.032 233 S CA 1.259 59.426 58.200 -0.055 0.000 1.005 233 S CB -0.306 62.904 63.200 0.017 0.000 0.867 233 S HN 0.375 nan 8.310 nan 0.000 0.449 234 N N 1.341 120.003 118.700 -0.064 0.000 2.025 234 N HA -0.054 4.686 4.740 -0.000 0.000 0.194 234 N C 1.786 177.177 175.510 -0.197 0.000 1.044 234 N CA 1.188 54.217 53.050 -0.035 0.000 0.851 234 N CB -0.402 38.138 38.487 0.088 0.000 1.036 234 N HN 0.324 nan 8.380 nan 0.000 0.422 235 R N -0.081 120.240 120.500 -0.299 0.000 2.103 235 R HA -0.095 4.245 4.340 -0.000 0.000 0.242 235 R C 2.110 177.991 176.300 -0.697 0.000 1.142 235 R CA 1.796 57.553 56.100 -0.572 0.000 0.960 235 R CB -0.619 29.148 30.300 -0.888 0.000 0.858 235 R HN 0.295 nan 8.270 nan 0.000 0.439 236 T N 1.094 115.304 114.554 -0.573 0.000 2.674 236 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 236 T C 1.908 176.305 174.700 -0.504 0.000 1.039 236 T CA 1.426 63.250 62.100 -0.459 0.000 1.150 236 T CB -0.192 68.459 68.868 -0.361 0.000 0.864 236 T HN 0.145 nan 8.240 nan 0.000 0.427 237 I N 0.794 121.099 120.570 -0.441 0.000 2.179 237 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 237 I C 2.593 178.416 176.117 -0.490 0.000 1.088 237 I CA 1.388 62.377 61.300 -0.520 0.000 1.357 237 I CB -0.415 37.137 38.000 -0.746 0.000 1.051 237 I HN 0.239 nan 8.210 nan 0.000 0.409 238 M N -0.426 118.895 119.600 -0.465 0.000 2.086 238 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 238 M C 2.403 178.473 176.300 -0.384 0.000 1.067 238 M CA 1.578 56.560 55.300 -0.529 0.000 1.116 238 M CB -0.567 31.744 32.600 -0.482 0.000 1.348 238 M HN 0.215 nan 8.290 nan 0.000 0.407 239 Q N 0.163 119.771 119.800 -0.320 0.000 2.173 239 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 239 Q C 2.141 177.994 176.000 -0.244 0.000 0.989 239 Q CA 2.088 57.760 55.803 -0.219 0.000 0.872 239 Q CB -0.569 28.103 28.738 -0.110 0.000 0.909 239 Q HN 0.621 nan 8.270 nan 0.000 0.420 240 A N -1.162 121.459 122.820 -0.331 0.000 2.119 240 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 240 A C 2.136 179.653 177.584 -0.112 0.000 1.152 240 A CA 0.906 52.788 52.037 -0.258 0.000 0.708 240 A CB -0.116 18.672 19.000 -0.353 0.000 0.805 240 A HN 0.435 nan 8.150 nan 0.000 0.460 241 C N -1.101 118.108 119.300 -0.152 0.000 3.188 241 C HA 0.515 4.975 4.460 -0.000 0.000 0.315 241 C C 0.563 175.511 174.990 -0.071 0.000 1.285 241 C CA 0.260 59.240 59.018 -0.063 0.000 1.729 241 C CB -0.932 26.793 27.740 -0.026 0.000 2.257 241 C HN 0.713 nan 8.230 nan 0.000 0.645 242 M N 0.513 120.032 119.600 -0.135 0.000 2.365 242 M HA 0.516 4.996 4.480 -0.000 0.000 0.287 242 M C -0.637 175.603 176.300 -0.101 0.000 1.154 242 M CA -0.097 55.135 55.300 -0.114 0.000 0.941 242 M CB 1.609 34.104 32.600 -0.174 0.000 1.704 242 M HN 0.095 nan 8.290 nan 0.000 0.479 243 T N -2.443 112.071 114.554 -0.065 0.000 2.889 243 T HA 0.451 4.801 4.350 -0.000 0.000 0.278 243 T C 0.492 175.163 174.700 -0.048 0.000 0.995 243 T CA -0.022 62.045 62.100 -0.055 0.000 0.966 243 T CB 1.060 69.905 68.868 -0.038 0.000 1.237 243 T HN 0.774 nan 8.240 nan 0.000 0.591 244 D N -0.712 119.665 120.400 -0.037 0.000 2.349 244 D HA -0.027 4.613 4.640 -0.000 0.000 0.224 244 D C 1.078 177.364 176.300 -0.024 0.000 1.029 244 D CA 0.153 54.135 54.000 -0.030 0.000 0.879 244 D CB -0.527 40.259 40.800 -0.022 0.000 0.906 244 D HN 0.519 nan 8.370 nan 0.000 0.528 245 N N 0.258 118.945 118.700 -0.022 0.000 2.280 245 N HA -0.033 4.707 4.740 -0.000 0.000 0.192 245 N C -0.714 174.787 175.510 -0.016 0.000 1.109 245 N CA -0.087 52.953 53.050 -0.016 0.000 0.855 245 N CB 0.226 38.705 38.487 -0.013 0.000 0.974 245 N HN -0.024 nan 8.380 nan 0.000 0.482 246 D N -0.190 120.197 120.400 -0.022 0.000 2.193 246 D HA 0.187 4.827 4.640 -0.000 0.000 0.249 246 D C -0.545 175.742 176.300 -0.022 0.000 1.034 246 D CA -0.361 53.629 54.000 -0.017 0.000 0.902 246 D CB 2.410 43.199 40.800 -0.018 0.000 1.182 246 D HN -0.233 nan 8.370 nan 0.000 0.436 247 V N 1.995 121.900 119.914 -0.014 0.000 2.481 247 V HA 0.376 4.496 4.120 -0.000 0.000 0.286 247 V C 0.267 176.357 176.094 -0.007 0.000 1.042 247 V CA -0.451 61.836 62.300 -0.022 0.000 0.928 247 V CB 1.592 33.402 31.823 -0.022 0.000 0.986 247 V HN 0.395 nan 8.190 nan 0.000 0.462 248 V N 3.459 123.361 119.914 -0.020 0.000 2.962 248 V HA 0.776 4.896 4.120 -0.000 0.000 0.313 248 V C -0.743 175.343 176.094 -0.013 0.000 1.099 248 V CA -0.785 61.536 62.300 0.035 0.000 0.971 248 V CB 2.099 33.975 31.823 0.088 0.000 1.028 248 V HN 0.433 nan 8.190 nan 0.000 0.430 249 V N 3.261 123.188 119.914 0.023 0.000 2.370 249 V HA 0.658 4.778 4.120 -0.000 0.000 0.283 249 V C -0.247 175.846 176.094 -0.001 0.000 1.023 249 V CA -0.390 61.890 62.300 -0.033 0.000 0.857 249 V CB 1.368 33.165 31.823 -0.043 0.000 0.985 249 V HN 0.796 nan 8.190 nan 0.000 0.443 250 V N 3.261 123.172 119.914 -0.005 0.000 2.483 250 V HA 0.344 4.464 4.120 -0.000 0.000 0.297 250 V C -0.250 175.953 176.094 0.180 0.000 1.027 250 V CA -0.758 61.608 62.300 0.109 0.000 0.855 250 V CB 1.924 33.857 31.823 0.183 0.000 0.995 250 V HN 0.898 nan 8.190 nan 0.000 0.424 251 D N 3.255 123.722 120.400 0.111 0.000 2.451 251 D HA -0.020 4.620 4.640 -0.000 0.000 0.254 251 D C 1.218 177.623 176.300 0.174 0.000 1.204 251 D CA 0.170 54.238 54.000 0.113 0.000 0.896 251 D CB 0.972 41.794 40.800 0.038 0.000 1.136 251 D HN 0.509 nan 8.370 nan 0.000 0.499 252 R N 3.454 124.059 120.500 0.174 0.000 2.127 252 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 252 R C 0.580 176.939 176.300 0.098 0.000 1.134 252 R CA 0.689 56.848 56.100 0.099 0.000 0.975 252 R CB -0.379 29.954 30.300 0.054 0.000 0.865 252 R HN 0.316 nan 8.270 nan 0.000 0.447 253 N N 0.742 119.519 118.700 0.128 0.000 2.744 253 N HA -0.010 4.730 4.740 -0.000 0.000 0.290 253 N C -1.278 174.339 175.510 0.179 0.000 1.206 253 N CA 0.102 53.250 53.050 0.163 0.000 1.119 253 N CB -0.490 38.092 38.487 0.159 0.000 1.449 253 N HN 0.354 nan 8.380 nan 0.000 0.514 254 C N 1.431 120.843 119.300 0.186 0.000 2.634 254 C HA 0.530 4.990 4.460 -0.000 0.000 0.313 254 C C 0.449 175.597 174.990 0.262 0.000 1.198 254 C CA -1.344 57.796 59.018 0.204 0.000 1.605 254 C CB 1.185 29.025 27.740 0.167 0.000 2.196 254 C HN 0.602 nan 8.230 nan 0.000 0.486 255 H N 1.751 120.942 119.070 0.201 0.000 2.615 255 H HA 0.190 4.746 4.556 -0.000 0.000 0.363 255 H C 0.904 176.311 175.328 0.132 0.000 1.148 255 H CA 0.446 56.621 56.048 0.212 0.000 1.401 255 H CB 1.003 30.897 29.762 0.220 0.000 1.461 255 H HN 0.790 nan 8.280 nan 0.000 0.588 256 K N 1.339 121.455 120.400 -0.475 0.000 2.144 256 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 256 K C 2.079 178.628 176.600 -0.084 0.000 1.047 256 K CA 1.986 58.114 56.287 -0.264 0.000 0.927 256 K CB -0.048 32.260 32.500 -0.321 0.000 0.716 256 K HN 0.596 nan 8.250 nan 0.000 0.454 257 S N 0.900 116.639 115.700 0.065 0.000 2.423 257 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 257 S C 1.937 176.584 174.600 0.078 0.000 1.014 257 S CA 0.713 58.993 58.200 0.133 0.000 0.965 257 S CB -0.251 63.107 63.200 0.262 0.000 0.785 257 S HN 0.090 nan 8.310 nan 0.000 0.495 258 I N 2.522 123.168 120.570 0.127 0.000 2.233 258 I HA -0.083 4.087 4.170 -0.000 0.000 0.243 258 I C 2.837 178.985 176.117 0.051 0.000 1.093 258 I CA 1.503 62.865 61.300 0.104 0.000 1.380 258 I CB -1.437 36.660 38.000 0.161 0.000 1.067 258 I HN 0.491 nan 8.210 nan 0.000 0.413 259 E N 1.020 121.249 120.200 0.048 0.000 2.118 259 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 259 E C 2.115 178.701 176.600 -0.023 0.000 0.992 259 E CA 1.353 57.768 56.400 0.026 0.000 0.804 259 E CB 0.027 29.736 29.700 0.015 0.000 0.741 259 E HN 0.527 nan 8.360 nan 0.000 0.458 260 Q N -0.350 119.423 119.800 -0.045 0.000 2.096 260 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 260 Q C 2.244 178.178 176.000 -0.111 0.000 0.982 260 Q CA 1.410 57.158 55.803 -0.092 0.000 0.850 260 Q CB -0.273 28.410 28.738 -0.091 0.000 0.901 260 Q HN 0.446 nan 8.270 nan 0.000 0.422 261 G N 0.645 109.380 108.800 -0.109 0.000 2.422 261 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 261 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 261 G C 1.364 176.183 174.900 -0.133 0.000 1.146 261 G CA 0.470 45.476 45.100 -0.156 0.000 0.769 261 G HN 0.179 nan 8.290 nan 0.000 0.547 262 L N -0.177 120.995 121.223 -0.085 0.000 2.046 262 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 262 L C 3.072 179.912 176.870 -0.050 0.000 1.077 262 L CA 1.118 55.924 54.840 -0.057 0.000 0.747 262 L CB -0.345 41.715 42.059 0.002 0.000 0.896 262 L HN 0.249 nan 8.230 nan 0.000 0.432 263 M N -0.849 118.716 119.600 -0.059 0.000 2.319 263 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 263 M C 2.093 178.343 176.300 -0.083 0.000 1.068 263 M CA 1.475 56.736 55.300 -0.065 0.000 1.118 263 M CB -0.146 32.375 32.600 -0.131 0.000 1.395 263 M HN 0.246 nan 8.290 nan 0.000 0.435 264 L N -0.615 120.549 121.223 -0.099 0.000 2.307 264 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 264 L C 2.598 179.432 176.870 -0.060 0.000 1.099 264 L CA 1.171 55.965 54.840 -0.077 0.000 0.816 264 L CB -0.483 41.542 42.059 -0.056 0.000 0.952 264 L HN 0.399 nan 8.230 nan 0.000 0.455 265 T N -4.692 109.816 114.554 -0.076 0.000 3.040 265 T HA 0.180 4.529 4.350 -0.000 0.000 0.252 265 T C 1.569 176.235 174.700 -0.057 0.000 1.064 265 T CA 0.551 62.604 62.100 -0.078 0.000 1.110 265 T CB 0.453 69.249 68.868 -0.120 0.000 0.921 265 T HN 0.332 nan 8.240 nan 0.000 0.480 266 G N 1.851 110.625 108.800 -0.044 0.000 2.153 266 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.252 266 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.252 266 G C 0.346 175.227 174.900 -0.032 0.000 0.994 266 G CA 0.137 45.222 45.100 -0.025 0.000 0.698 266 G HN 1.195 nan 8.290 nan 0.000 0.521 267 A N -0.329 122.460 122.820 -0.052 0.000 2.406 267 A HA 0.570 4.890 4.320 -0.000 0.000 0.243 267 A C 0.683 178.240 177.584 -0.046 0.000 1.082 267 A CA 0.198 52.202 52.037 -0.055 0.000 0.786 267 A CB 0.398 19.349 19.000 -0.082 0.000 1.029 267 A HN 0.296 nan 8.150 nan 0.000 0.495 268 K N 2.314 122.685 120.400 -0.047 0.000 2.267 268 K HA 0.373 4.692 4.320 -0.000 0.000 0.282 268 K C -2.858 173.684 176.600 -0.097 0.000 1.078 268 K CA -1.892 54.362 56.287 -0.055 0.000 0.903 268 K CB 1.099 33.573 32.500 -0.044 0.000 1.111 268 K HN 0.446 nan 8.250 nan 0.000 0.475 269 P HA 0.310 nan 4.420 nan 0.000 0.290 269 P C -0.557 176.457 177.300 -0.477 0.000 1.275 269 P CA -0.692 62.225 63.100 -0.306 0.000 0.841 269 P CB 1.656 33.147 31.700 -0.347 0.000 1.042 270 V N 3.453 123.059 119.914 -0.514 0.000 2.823 270 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 270 V C -1.206 174.532 176.094 -0.593 0.000 1.072 270 V CA -0.738 61.249 62.300 -0.522 0.000 0.937 270 V CB 1.645 33.345 31.823 -0.206 0.000 1.013 270 V HN 0.348 nan 8.190 nan 0.000 0.430 271 Y N 4.338 124.647 120.300 0.015 0.000 2.352 271 Y HA 0.613 5.163 4.550 -0.000 0.000 0.339 271 Y C 0.333 176.245 175.900 0.019 0.000 0.992 271 Y CA -0.801 57.311 58.100 0.019 0.000 1.100 271 Y CB 1.612 40.083 38.460 0.018 0.000 1.192 271 Y HN 0.445 nan 8.280 nan 0.000 0.458 272 M N 3.533 123.236 119.600 0.172 0.000 2.146 272 M HA 0.340 4.820 4.480 -0.000 0.000 0.357 272 M C -0.843 175.531 176.300 0.123 0.000 1.261 272 M CA -0.524 54.847 55.300 0.120 0.000 1.106 272 M CB 0.696 33.354 32.600 0.096 0.000 1.612 272 M HN 0.329 nan 8.290 nan 0.000 0.470 273 V N 6.591 126.556 119.914 0.085 0.000 2.432 273 V HA 0.315 4.435 4.120 -0.000 0.000 0.271 273 V C -1.806 174.298 176.094 0.018 0.000 1.046 273 V CA -1.339 60.994 62.300 0.055 0.000 0.945 273 V CB 0.425 32.266 31.823 0.029 0.000 0.992 273 V HN 0.664 nan 8.190 nan 0.000 0.471 274 P HA 0.273 nan 4.420 nan 0.000 0.278 274 P C -0.185 177.034 177.300 -0.136 0.000 1.258 274 P CA -0.312 62.774 63.100 -0.022 0.000 0.811 274 P CB 1.219 32.938 31.700 0.032 0.000 1.063 275 S N 1.091 116.628 115.700 -0.272 0.000 2.634 275 S HA 0.584 5.054 4.470 -0.000 0.000 0.261 275 S C 0.299 174.829 174.600 -0.118 0.000 1.271 275 S CA -0.519 57.496 58.200 -0.309 0.000 0.985 275 S CB 0.604 63.500 63.200 -0.507 0.000 0.968 275 S HN 0.747 nan 8.310 nan 0.000 0.568 276 R N -0.306 120.223 120.500 0.050 0.000 2.747 276 R HA 0.533 4.873 4.340 -0.000 0.000 0.272 276 R C -1.700 174.790 176.300 0.317 0.000 1.032 276 R CA -0.916 55.313 56.100 0.216 0.000 0.896 276 R CB 0.525 30.847 30.300 0.036 0.000 1.253 276 R HN 0.773 nan 8.270 nan 0.000 0.461 277 N N -0.948 117.886 118.700 0.223 0.000 2.653 277 N HA 0.248 4.988 4.740 -0.000 0.000 0.294 277 N C 0.396 175.835 175.510 -0.118 0.000 1.305 277 N CA -1.103 51.947 53.050 0.000 0.000 0.827 277 N CB 0.940 39.263 38.487 -0.272 0.000 1.415 277 N HN 0.758 nan 8.380 nan 0.000 0.546 278 R N -1.286 119.055 120.500 -0.266 0.000 2.293 278 R HA -0.095 4.245 4.340 -0.000 0.000 0.219 278 R C 0.010 176.080 176.300 -0.382 0.000 1.091 278 R CA 1.237 57.128 56.100 -0.348 0.000 1.004 278 R CB -0.664 29.359 30.300 -0.462 0.000 0.865 278 R HN 0.577 nan 8.270 nan 0.000 0.469 279 Y N 0.286 120.510 120.300 -0.125 0.000 2.466 279 Y HA 0.301 4.851 4.550 -0.000 0.000 0.272 279 Y C 1.763 177.611 175.900 -0.086 0.000 1.169 279 Y CA 0.283 58.320 58.100 -0.105 0.000 1.285 279 Y CB 0.587 38.892 38.460 -0.258 0.000 1.078 279 Y HN 0.388 nan 8.280 nan 0.000 0.523 280 G N 0.547 109.350 108.800 0.004 0.000 2.179 280 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 280 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 280 G C 0.201 175.074 174.900 -0.045 0.000 0.977 280 G CA 0.040 45.118 45.100 -0.036 0.000 0.641 280 G HN 0.288 nan 8.290 nan 0.000 0.533 281 I N 1.988 122.543 120.570 -0.026 0.000 2.588 281 I HA 0.224 4.394 4.170 -0.000 0.000 0.283 281 I C 1.063 177.243 176.117 0.105 0.000 1.119 281 I CA -0.642 60.649 61.300 -0.014 0.000 1.419 281 I CB 0.599 38.492 38.000 -0.177 0.000 1.394 281 I HN -0.047 nan 8.210 nan 0.000 0.562 282 I N 4.806 125.428 120.570 0.086 0.000 2.519 282 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 282 I C 0.881 177.047 176.117 0.082 0.000 1.047 282 I CA 0.323 61.662 61.300 0.065 0.000 1.381 282 I CB 0.892 38.905 38.000 0.022 0.000 1.417 282 I HN 0.664 nan 8.210 nan 0.000 0.540 283 G N 6.668 115.381 108.800 -0.145 0.000 2.938 283 G HA2 0.666 4.626 3.960 -0.000 0.000 0.258 283 G HA3 0.666 4.626 3.960 -0.000 0.000 0.258 283 G C -2.787 171.858 174.900 -0.426 0.000 1.356 283 G CA -0.930 43.747 45.100 -0.705 0.000 1.052 283 G HN 0.387 nan 8.290 nan 0.000 0.550 284 P HA 0.315 nan 4.420 nan 0.000 0.276 284 P C -0.414 176.941 177.300 0.093 0.000 1.252 284 P CA -0.353 62.566 63.100 -0.302 0.000 0.802 284 P CB 1.330 32.738 31.700 -0.487 0.000 1.035 285 I N 1.573 122.391 120.570 0.414 0.000 2.452 285 I HA 0.042 4.212 4.170 -0.000 0.000 0.287 285 I C 0.774 177.266 176.117 0.625 0.000 1.079 285 I CA -0.340 61.191 61.300 0.386 0.000 1.387 285 I CB -0.289 37.949 38.000 0.397 0.000 1.404 285 I HN 0.223 nan 8.210 nan 0.000 0.522 286 Y N 8.174 128.567 120.300 0.155 0.000 2.457 286 Y HA 0.099 4.649 4.550 -0.000 0.000 0.341 286 Y C -1.236 174.528 175.900 -0.227 0.000 1.240 286 Y CA -2.458 55.584 58.100 -0.096 0.000 1.437 286 Y CB -0.361 38.012 38.460 -0.144 0.000 1.328 286 Y HN 0.468 nan 8.280 nan 0.000 0.588 287 P HA -0.151 nan 4.420 nan 0.000 0.221 287 P C 0.948 178.132 177.300 -0.193 0.000 1.145 287 P CA 1.404 64.159 63.100 -0.576 0.000 0.795 287 P CB 0.335 31.476 31.700 -0.931 0.000 0.775 288 Q N -0.242 119.489 119.800 -0.115 0.000 2.084 288 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 288 Q C 2.024 178.026 176.000 0.004 0.000 0.978 288 Q CA 1.241 57.024 55.803 -0.033 0.000 0.844 288 Q CB -0.792 27.953 28.738 0.013 0.000 0.898 288 Q HN 0.281 nan 8.270 nan 0.000 0.426 289 E N -0.455 119.767 120.200 0.036 0.000 2.418 289 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 289 E C 1.230 177.862 176.600 0.053 0.000 1.026 289 E CA 0.732 57.161 56.400 0.049 0.000 0.862 289 E CB 0.107 29.849 29.700 0.071 0.000 0.799 289 E HN 0.518 nan 8.360 nan 0.000 0.518 290 M N 0.103 119.735 119.600 0.054 0.000 2.371 290 M HA 0.067 4.547 4.480 -0.000 0.000 0.246 290 M C 0.183 176.503 176.300 0.033 0.000 1.103 290 M CA -0.025 55.312 55.300 0.062 0.000 1.010 290 M CB 0.573 33.249 32.600 0.127 0.000 1.457 290 M HN -0.273 nan 8.290 nan 0.000 0.486 291 Q N 1.991 121.799 119.800 0.013 0.000 2.286 291 Q HA 0.035 4.375 4.340 -0.000 0.000 0.290 291 Q C -1.543 174.461 176.000 0.008 0.000 1.049 291 Q CA -0.994 54.811 55.803 0.004 0.000 0.923 291 Q CB 0.217 28.952 28.738 -0.006 0.000 1.183 291 Q HN 0.066 nan 8.270 nan 0.000 0.383 292 P HA -0.252 nan 4.420 nan 0.000 0.216 292 P C 0.965 178.267 177.300 0.003 0.000 1.154 292 P CA 1.666 64.769 63.100 0.006 0.000 0.865 292 P CB 0.264 31.968 31.700 0.007 0.000 0.789 293 E N -0.705 119.496 120.200 0.002 0.000 2.216 293 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 293 E C 1.522 178.123 176.600 0.002 0.000 0.988 293 E CA 1.273 57.673 56.400 0.001 0.000 0.834 293 E CB -1.608 28.093 29.700 0.000 0.000 0.772 293 E HN 0.153 nan 8.360 nan 0.000 0.479 294 T N 2.102 116.658 114.554 0.003 0.000 2.821 294 T HA 0.034 4.383 4.350 -0.000 0.000 0.267 294 T C 2.080 176.783 174.700 0.005 0.000 1.046 294 T CA 0.995 63.098 62.100 0.005 0.000 1.139 294 T CB -0.130 68.743 68.868 0.008 0.000 0.871 294 T HN 0.092 nan 8.240 nan 0.000 0.454 295 L N 0.687 121.912 121.223 0.004 0.000 2.072 295 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 295 L C 2.986 179.853 176.870 -0.006 0.000 1.079 295 L CA 0.888 55.727 54.840 -0.001 0.000 0.752 295 L CB -0.528 41.530 42.059 -0.002 0.000 0.906 295 L HN 0.123 nan 8.230 nan 0.000 0.436 296 Q N 0.258 120.056 119.800 -0.003 0.000 2.135 296 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 296 Q C 2.133 178.131 176.000 -0.004 0.000 0.981 296 Q CA 1.437 57.238 55.803 -0.004 0.000 0.856 296 Q CB -0.267 28.470 28.738 -0.002 0.000 0.902 296 Q HN 0.408 nan 8.270 nan 0.000 0.425 297 K N 0.845 121.244 120.400 -0.002 0.000 2.057 297 K HA -0.109 4.210 4.320 -0.000 0.000 0.206 297 K C 1.943 178.542 176.600 -0.002 0.000 1.050 297 K CA 0.934 57.220 56.287 -0.001 0.000 0.935 297 K CB 0.125 32.627 32.500 0.002 0.000 0.715 297 K HN 0.047 nan 8.250 nan 0.000 0.439 298 K N 0.600 120.999 120.400 -0.002 0.000 2.032 298 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 298 K C 2.136 178.727 176.600 -0.015 0.000 1.048 298 K CA 1.738 58.022 56.287 -0.005 0.000 0.927 298 K CB -0.178 32.318 32.500 -0.007 0.000 0.712 298 K HN 0.144 nan 8.250 nan 0.000 0.441 299 I N 0.547 121.104 120.570 -0.021 0.000 2.226 299 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 299 I C 2.228 178.335 176.117 -0.017 0.000 1.100 299 I CA 1.092 62.377 61.300 -0.025 0.000 1.374 299 I CB -0.176 37.810 38.000 -0.023 0.000 1.057 299 I HN 0.077 nan 8.210 nan 0.000 0.413 300 S N 0.008 115.702 115.700 -0.010 0.000 2.383 300 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 300 S C 1.753 176.350 174.600 -0.005 0.000 1.026 300 S CA 1.193 59.389 58.200 -0.007 0.000 0.981 300 S CB -0.168 63.030 63.200 -0.004 0.000 0.818 300 S HN 0.473 nan 8.310 nan 0.000 0.472 301 E N 0.609 120.807 120.200 -0.004 0.000 2.452 301 E HA 0.116 4.465 4.350 -0.000 0.000 0.197 301 E C 0.459 177.060 176.600 0.000 0.000 1.022 301 E CA -0.133 56.267 56.400 -0.000 0.000 0.890 301 E CB 0.323 30.024 29.700 0.002 0.000 0.918 301 E HN 0.235 nan 8.360 nan 0.000 0.496 302 S N 1.564 117.262 115.700 -0.004 0.000 2.523 302 S HA 0.121 4.590 4.470 -0.000 0.000 0.275 302 S C -1.873 172.725 174.600 -0.003 0.000 1.281 302 S CA -1.741 56.458 58.200 -0.002 0.000 1.050 302 S CB 1.126 64.318 63.200 -0.013 0.000 0.937 302 S HN -0.231 nan 8.310 nan 0.000 0.492 303 P HA -0.120 nan 4.420 nan 0.000 0.217 303 P C 1.073 178.373 177.300 -0.001 0.000 1.148 303 P CA 1.308 64.410 63.100 0.003 0.000 0.834 303 P CB 0.018 31.722 31.700 0.007 0.000 0.783 304 L N -1.889 119.332 121.223 -0.004 0.000 2.341 304 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 304 L C 1.806 178.664 176.870 -0.020 0.000 1.115 304 L CA 1.717 56.550 54.840 -0.010 0.000 0.820 304 L CB -1.015 41.037 42.059 -0.012 0.000 0.944 304 L HN 0.142 nan 8.230 nan 0.000 0.452 305 T N -5.894 108.646 114.554 -0.023 0.000 2.975 305 T HA 0.134 4.484 4.350 -0.000 0.000 0.261 305 T C 1.491 176.181 174.700 -0.017 0.000 0.984 305 T CA -0.414 61.671 62.100 -0.026 0.000 0.911 305 T CB 0.365 69.210 68.868 -0.039 0.000 1.127 305 T HN -0.011 nan 8.240 nan 0.000 0.514 306 K N 2.341 122.734 120.400 -0.012 0.000 2.031 306 K HA -0.249 4.071 4.320 -0.000 0.000 0.228 306 K C 1.782 178.377 176.600 -0.007 0.000 1.050 306 K CA 2.457 58.740 56.287 -0.007 0.000 0.980 306 K CB -0.416 32.082 32.500 -0.005 0.000 0.738 306 K HN 0.632 nan 8.250 nan 0.000 0.451 307 D N -0.017 120.379 120.400 -0.006 0.000 2.371 307 D HA -0.114 4.526 4.640 -0.000 0.000 0.234 307 D C 0.634 176.930 176.300 -0.006 0.000 1.049 307 D CA 0.853 54.849 54.000 -0.005 0.000 0.907 307 D CB 0.107 40.904 40.800 -0.005 0.000 0.891 307 D HN 0.206 nan 8.370 nan 0.000 0.531 308 K N -0.017 120.378 120.400 -0.008 0.000 2.506 308 K HA 0.309 4.629 4.320 -0.000 0.000 0.204 308 K C -0.016 176.580 176.600 -0.008 0.000 1.045 308 K CA -0.339 55.943 56.287 -0.008 0.000 1.074 308 K CB 1.367 33.860 32.500 -0.012 0.000 0.842 308 K HN 0.066 nan 8.250 nan 0.000 0.514 309 A N 0.636 123.452 122.820 -0.007 0.000 2.566 309 A HA 0.320 4.640 4.320 -0.000 0.000 0.245 309 A C 1.289 178.871 177.584 -0.004 0.000 1.056 309 A CA 1.328 53.362 52.037 -0.006 0.000 0.757 309 A CB -0.543 18.454 19.000 -0.004 0.000 0.979 309 A HN 0.623 nan 8.150 nan 0.000 0.508 310 G N 1.033 109.832 108.800 -0.003 0.000 2.195 310 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 310 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 310 G C 0.384 175.284 174.900 0.000 0.000 0.984 310 G CA 0.480 45.580 45.100 -0.001 0.000 0.633 310 G HN 1.114 nan 8.290 nan 0.000 0.525 311 Q N 0.940 120.739 119.800 -0.001 0.000 2.297 311 Q HA 0.367 4.707 4.340 -0.000 0.000 0.267 311 Q C 0.524 176.525 176.000 0.002 0.000 1.006 311 Q CA -0.261 55.542 55.803 0.001 0.000 0.896 311 Q CB 0.359 29.096 28.738 -0.002 0.000 1.186 311 Q HN 0.345 nan 8.270 nan 0.000 0.392 312 K N 5.780 126.184 120.400 0.006 0.000 2.402 312 K HA 0.152 4.472 4.320 -0.000 0.000 0.285 312 K C -2.285 174.324 176.600 0.014 0.000 1.054 312 K CA -1.484 54.809 56.287 0.010 0.000 1.001 312 K CB 0.428 32.936 32.500 0.014 0.000 0.946 312 K HN 0.407 nan 8.250 nan 0.000 0.473 313 P HA -0.075 nan 4.420 nan 0.000 0.264 313 P C 0.028 177.357 177.300 0.047 0.000 1.183 313 P CA 0.173 63.287 63.100 0.025 0.000 0.763 313 P CB 0.799 32.509 31.700 0.016 0.000 0.807 314 S N 1.848 117.589 115.700 0.068 0.000 2.528 314 S HA 0.074 4.543 4.470 -0.000 0.000 0.219 314 S C 0.066 174.776 174.600 0.183 0.000 0.985 314 S CA 0.163 58.419 58.200 0.094 0.000 0.914 314 S CB -0.526 62.714 63.200 0.066 0.000 0.776 314 S HN 0.599 nan 8.310 nan 0.000 0.526 315 Y N -0.747 119.554 120.300 0.001 0.000 2.565 315 Y HA 0.508 5.058 4.550 -0.000 0.000 0.330 315 Y C -1.835 174.057 175.900 -0.013 0.000 1.150 315 Y CA -1.388 56.717 58.100 0.008 0.000 1.055 315 Y CB 1.076 39.532 38.460 -0.007 0.000 1.337 315 Y HN 0.172 nan 8.280 nan 0.000 0.457 316 C N 6.339 125.342 119.300 -0.495 0.000 2.535 316 C HA 0.854 5.314 4.460 -0.000 0.000 0.319 316 C C -1.733 172.775 174.990 -0.803 0.000 1.171 316 C CA -0.508 58.229 59.018 -0.469 0.000 1.394 316 C CB 0.686 28.262 27.740 -0.272 0.000 1.990 316 C HN 0.845 nan 8.230 nan 0.000 0.466 317 V N 6.896 126.482 119.914 -0.546 0.000 2.656 317 V HA 0.855 4.975 4.120 -0.000 0.000 0.307 317 V C -1.006 174.885 176.094 -0.339 0.000 1.051 317 V CA -0.164 61.842 62.300 -0.490 0.000 0.893 317 V CB 2.122 33.794 31.823 -0.252 0.000 0.999 317 V HN 0.812 nan 8.190 nan 0.000 0.426 318 V N 4.737 124.391 119.914 -0.434 0.000 2.638 318 V HA 0.436 4.555 4.120 -0.000 0.000 0.306 318 V C 0.084 176.063 176.094 -0.191 0.000 1.052 318 V CA -0.542 61.579 62.300 -0.298 0.000 0.885 318 V CB 2.406 33.995 31.823 -0.390 0.000 0.999 318 V HN 0.917 nan 8.190 nan 0.000 0.424 319 T N 4.228 118.725 114.554 -0.094 0.000 2.738 319 T HA 0.243 4.593 4.350 -0.000 0.000 0.294 319 T C -0.099 174.618 174.700 0.028 0.000 0.914 319 T CA 0.169 62.248 62.100 -0.034 0.000 1.052 319 T CB -0.328 68.525 68.868 -0.024 0.000 0.897 319 T HN 0.609 nan 8.240 nan 0.000 0.522 320 N N 2.686 121.422 118.700 0.060 0.000 2.461 320 N HA 0.378 5.118 4.740 -0.000 0.000 0.284 320 N C -0.262 175.188 175.510 -0.099 0.000 1.049 320 N CA -0.748 52.331 53.050 0.047 0.000 0.889 320 N CB 0.650 39.203 38.487 0.109 0.000 1.365 320 N HN 0.698 nan 8.380 nan 0.000 0.499 321 C N 1.140 120.152 119.300 -0.479 0.000 2.347 321 C HA 0.842 5.302 4.460 -0.000 0.000 0.366 321 C C 1.460 176.321 174.990 -0.215 0.000 1.241 321 C CA -0.704 58.043 59.018 -0.451 0.000 2.360 321 C CB 0.022 27.302 27.740 -0.767 0.000 2.290 321 C HN 0.761 nan 8.230 nan 0.000 0.587 322 T N -1.138 113.328 114.554 -0.147 0.000 2.701 322 T HA 0.186 4.536 4.350 -0.000 0.000 0.303 322 T C 0.535 175.110 174.700 -0.207 0.000 1.030 322 T CA 0.321 62.320 62.100 -0.169 0.000 1.010 322 T CB 0.075 68.932 68.868 -0.019 0.000 1.007 322 T HN 0.705 nan 8.240 nan 0.000 0.532 323 Y N 0.368 120.672 120.300 0.006 0.000 2.224 323 Y HA 0.035 4.585 4.550 -0.000 0.000 0.289 323 Y C 2.180 177.983 175.900 -0.161 0.000 1.146 323 Y CA 1.404 59.410 58.100 -0.157 0.000 1.182 323 Y CB -0.562 37.864 38.460 -0.056 0.000 0.983 323 Y HN 0.662 nan 8.280 nan 0.000 0.524 324 D N -1.445 119.029 120.400 0.123 0.000 2.328 324 D HA 0.241 4.881 4.640 -0.000 0.000 0.226 324 D C 1.447 177.879 176.300 0.219 0.000 1.066 324 D CA 0.853 54.947 54.000 0.156 0.000 0.861 324 D CB 0.182 41.097 40.800 0.192 0.000 0.912 324 D HN 0.375 nan 8.370 nan 0.000 0.521 325 G N -0.042 108.827 108.800 0.116 0.000 2.134 325 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.209 325 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.209 325 G C 0.182 175.145 174.900 0.105 0.000 0.993 325 G CA -0.330 44.834 45.100 0.107 0.000 0.669 325 G HN 0.257 nan 8.290 nan 0.000 0.519 326 V N 1.080 121.054 119.914 0.099 0.000 2.470 326 V HA 0.365 4.485 4.120 -0.000 0.000 0.276 326 V C 0.894 176.915 176.094 -0.121 0.000 1.040 326 V CA 0.026 62.344 62.300 0.030 0.000 1.008 326 V CB 0.806 32.635 31.823 0.009 0.000 0.990 326 V HN 0.500 nan 8.190 nan 0.000 0.477 327 C N 5.794 125.032 119.300 -0.102 0.000 2.319 327 C HA 0.548 5.008 4.460 -0.000 0.000 0.323 327 C C -0.065 174.916 174.990 -0.016 0.000 1.277 327 C CA -1.457 57.515 59.018 -0.077 0.000 1.517 327 C CB -0.277 27.496 27.740 0.054 0.000 2.206 327 C HN 0.752 nan 8.230 nan 0.000 0.486 328 Y N 1.712 121.917 120.300 -0.158 0.000 2.397 328 Y HA 0.118 4.668 4.550 -0.000 0.000 0.335 328 Y C 1.218 176.870 175.900 -0.413 0.000 1.213 328 Y CA 0.275 58.133 58.100 -0.405 0.000 1.391 328 Y CB 0.468 38.644 38.460 -0.473 0.000 1.293 328 Y HN 0.643 nan 8.280 nan 0.000 0.557 329 N N 2.237 120.585 118.700 -0.586 0.000 2.406 329 N HA 0.028 4.768 4.740 -0.000 0.000 0.269 329 N C 0.391 175.587 175.510 -0.524 0.000 1.210 329 N CA 0.299 52.852 53.050 -0.828 0.000 0.966 329 N CB 0.827 38.950 38.487 -0.606 0.000 1.293 329 N HN 0.854 nan 8.380 nan 0.000 0.491 330 A N 4.366 126.910 122.820 -0.460 0.000 2.066 330 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 330 A C 2.098 179.494 177.584 -0.314 0.000 1.157 330 A CA 0.827 52.584 52.037 -0.466 0.000 0.670 330 A CB -0.239 18.323 19.000 -0.730 0.000 0.804 330 A HN 0.726 nan 8.150 nan 0.000 0.453 331 K N -0.174 120.055 120.400 -0.285 0.000 2.057 331 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 331 K C 1.634 178.201 176.600 -0.056 0.000 1.049 331 K CA 1.574 57.761 56.287 -0.165 0.000 0.931 331 K CB -0.071 32.328 32.500 -0.169 0.000 0.714 331 K HN 0.397 nan 8.250 nan 0.000 0.440 332 E N 0.284 120.465 120.200 -0.032 0.000 2.072 332 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 332 E C 2.008 178.761 176.600 0.256 0.000 0.982 332 E CA 1.018 57.503 56.400 0.141 0.000 0.803 332 E CB -0.296 29.570 29.700 0.277 0.000 0.755 332 E HN 0.397 nan 8.360 nan 0.000 0.453 333 A N 1.716 124.648 122.820 0.187 0.000 1.908 333 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 333 A C 2.214 179.945 177.584 0.244 0.000 1.181 333 A CA 2.003 54.213 52.037 0.288 0.000 0.627 333 A CB -0.667 18.400 19.000 0.112 0.000 0.818 333 A HN 0.299 nan 8.150 nan 0.000 0.445 334 Q N -0.589 119.335 119.800 0.205 0.000 2.084 334 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 334 Q C 1.699 177.768 176.000 0.115 0.000 0.978 334 Q CA 2.092 58.011 55.803 0.193 0.000 0.844 334 Q CB -0.286 28.546 28.738 0.157 0.000 0.898 334 Q HN 0.643 nan 8.270 nan 0.000 0.426 335 D N -0.164 120.297 120.400 0.100 0.000 2.144 335 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 335 D C 1.929 178.276 176.300 0.079 0.000 0.984 335 D CA 1.090 55.136 54.000 0.077 0.000 0.834 335 D CB -0.012 40.830 40.800 0.069 0.000 0.955 335 D HN 0.289 nan 8.370 nan 0.000 0.465 336 L N -0.345 120.944 121.223 0.111 0.000 2.044 336 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 336 L C 2.409 179.320 176.870 0.068 0.000 1.075 336 L CA 0.588 55.482 54.840 0.090 0.000 0.747 336 L CB -0.311 41.820 42.059 0.121 0.000 0.903 336 L HN 0.136 nan 8.230 nan 0.000 0.435 337 L N 0.021 121.290 121.223 0.076 0.000 2.217 337 L HA -0.165 4.174 4.340 -0.000 0.000 0.211 337 L C 2.513 179.390 176.870 0.012 0.000 1.107 337 L CA 1.011 55.868 54.840 0.028 0.000 0.783 337 L CB -0.470 41.584 42.059 -0.007 0.000 0.919 337 L HN 0.407 nan 8.230 nan 0.000 0.442 338 E N 0.381 120.599 120.200 0.029 0.000 2.472 338 E HA -0.205 4.145 4.350 -0.000 0.000 0.200 338 E C 1.725 178.336 176.600 0.018 0.000 1.046 338 E CA 0.755 57.168 56.400 0.022 0.000 0.871 338 E CB -0.027 29.692 29.700 0.031 0.000 0.806 338 E HN 0.420 nan 8.360 nan 0.000 0.533 339 K N 0.072 120.483 120.400 0.019 0.000 2.305 339 K HA 0.054 4.373 4.320 -0.000 0.000 0.199 339 K C 1.575 178.182 176.600 0.011 0.000 1.047 339 K CA 1.309 57.605 56.287 0.016 0.000 0.976 339 K CB 0.353 32.864 32.500 0.018 0.000 0.765 339 K HN 0.074 nan 8.250 nan 0.000 0.474 340 T N -0.511 114.047 114.554 0.007 0.000 3.021 340 T HA 0.032 4.382 4.350 -0.000 0.000 0.245 340 T C 0.647 175.349 174.700 0.003 0.000 1.028 340 T CA 0.333 62.435 62.100 0.003 0.000 1.139 340 T CB 0.413 69.279 68.868 -0.002 0.000 0.884 340 T HN -0.004 nan 8.240 nan 0.000 0.457 341 S N 0.250 115.949 115.700 -0.002 0.000 2.542 341 S HA 0.349 4.819 4.470 -0.000 0.000 0.293 341 S C -0.604 174.001 174.600 0.009 0.000 1.089 341 S CA -0.725 57.477 58.200 0.003 0.000 0.961 341 S CB 1.442 64.633 63.200 -0.015 0.000 1.062 341 S HN 0.012 nan 8.310 nan 0.000 0.483 342 D N 1.917 122.333 120.400 0.027 0.000 2.349 342 D HA 0.174 4.814 4.640 -0.000 0.000 0.215 342 D C -0.075 176.249 176.300 0.040 0.000 1.016 342 D CA 0.573 54.591 54.000 0.030 0.000 0.870 342 D CB 0.197 41.019 40.800 0.037 0.000 0.917 342 D HN 0.247 nan 8.370 nan 0.000 0.524 343 R N 0.210 120.744 120.500 0.056 0.000 2.409 343 R HA 0.494 4.834 4.340 -0.000 0.000 0.313 343 R C -0.727 175.576 176.300 0.004 0.000 0.953 343 R CA -0.236 55.930 56.100 0.109 0.000 0.849 343 R CB 1.608 32.061 30.300 0.255 0.000 1.171 343 R HN -0.110 nan 8.270 nan 0.000 0.458 344 L N 2.529 123.746 121.223 -0.011 0.000 2.322 344 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 344 L C -0.223 176.601 176.870 -0.077 0.000 1.014 344 L CA -0.716 54.013 54.840 -0.185 0.000 0.815 344 L CB 1.795 43.731 42.059 -0.205 0.000 1.247 344 L HN 0.618 nan 8.230 nan 0.000 0.421 345 H N 3.530 122.327 119.070 -0.455 0.000 2.587 345 H HA 0.405 4.961 4.556 -0.000 0.000 0.325 345 H C -1.526 173.544 175.328 -0.431 0.000 1.012 345 H CA -0.762 55.134 56.048 -0.253 0.000 1.213 345 H CB 1.103 30.722 29.762 -0.239 0.000 1.431 345 H HN 0.384 nan 8.280 nan 0.000 0.492 346 F N 3.553 123.559 119.950 0.093 0.000 2.385 346 F HA 0.080 4.607 4.527 -0.000 0.000 0.360 346 F C 0.473 176.227 175.800 -0.076 0.000 1.122 346 F CA -0.793 57.169 58.000 -0.062 0.000 1.090 346 F CB 1.038 40.049 39.000 0.018 0.000 1.150 346 F HN 0.574 nan 8.300 nan 0.000 0.472 347 D N 3.784 124.119 120.400 -0.109 0.000 2.483 347 D HA 0.059 4.699 4.640 -0.000 0.000 0.220 347 D C 0.245 176.608 176.300 0.105 0.000 1.173 347 D CA 0.044 54.006 54.000 -0.063 0.000 0.964 347 D CB 0.176 40.868 40.800 -0.178 0.000 1.046 347 D HN 0.592 nan 8.370 nan 0.000 0.517 348 E N 2.049 122.384 120.200 0.226 0.000 2.296 348 E HA 0.120 4.470 4.350 -0.000 0.000 0.196 348 E C 1.412 178.225 176.600 0.355 0.000 1.143 348 E CA -0.317 56.294 56.400 0.351 0.000 1.145 348 E CB 0.479 30.479 29.700 0.499 0.000 1.215 348 E HN 0.492 nan 8.360 nan 0.000 0.447 349 A N 0.390 123.318 122.820 0.180 0.000 1.908 349 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 349 A C 1.366 178.950 177.584 0.001 0.000 1.181 349 A CA 0.926 52.983 52.037 0.033 0.000 0.627 349 A CB -0.561 18.344 19.000 -0.158 0.000 0.818 349 A HN 0.511 nan 8.150 nan 0.000 0.445 350 W N -2.550 118.809 121.300 0.100 0.000 3.400 350 W HA 0.350 5.010 4.660 -0.000 0.000 0.347 350 W C 0.603 177.225 176.519 0.171 0.000 1.218 350 W CA -0.068 57.353 57.345 0.128 0.000 1.837 350 W CB 0.026 29.549 29.460 0.107 0.000 1.067 350 W HN 0.495 nan 8.180 nan 0.000 0.701 351 Y N -1.360 118.933 120.300 -0.012 0.000 2.926 351 Y HA 0.185 4.734 4.550 -0.000 0.000 0.258 351 Y C 1.807 177.251 175.900 -0.759 0.000 1.110 351 Y CA 0.048 57.846 58.100 -0.503 0.000 1.224 351 Y CB 0.099 38.430 38.460 -0.215 0.000 1.276 351 Y HN -0.081 nan 8.280 nan 0.000 0.595 352 G N 0.176 108.639 108.800 -0.563 0.000 2.559 352 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 352 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 352 G C 0.926 175.544 174.900 -0.470 0.000 1.126 352 G CA 1.239 45.759 45.100 -0.966 0.000 0.778 352 G HN 0.672 nan 8.290 nan 0.000 0.543 353 Y N -1.064 119.109 120.300 -0.211 0.000 2.511 353 Y HA 0.574 5.124 4.550 -0.000 0.000 0.279 353 Y C 2.442 178.149 175.900 -0.321 0.000 1.157 353 Y CA -0.341 57.720 58.100 -0.065 0.000 1.300 353 Y CB -0.578 37.861 38.460 -0.036 0.000 1.052 353 Y HN 0.111 nan 8.280 nan 0.000 0.529 354 A N 1.993 124.155 122.820 -1.095 0.000 1.940 354 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 354 A C 2.390 179.269 177.584 -1.175 0.000 1.176 354 A CA 1.803 53.057 52.037 -1.306 0.000 0.631 354 A CB -0.789 17.027 19.000 -1.973 0.000 0.814 354 A HN 0.540 nan 8.150 nan 0.000 0.446 355 R N -1.540 118.031 120.500 -1.548 0.000 2.241 355 R HA -0.112 4.228 4.340 -0.000 0.000 0.224 355 R C 0.604 176.249 176.300 -1.091 0.000 1.101 355 R CA 1.499 56.624 56.100 -1.623 0.000 0.995 355 R CB -0.278 29.078 30.300 -1.573 0.000 0.870 355 R HN 0.519 nan 8.270 nan 0.000 0.463 356 F N -0.877 118.875 119.950 -0.331 0.000 2.695 356 F HA 0.308 4.835 4.527 -0.000 0.000 0.303 356 F C 0.440 176.200 175.800 -0.068 0.000 1.091 356 F CA -0.400 57.487 58.000 -0.188 0.000 1.300 356 F CB 0.159 39.035 39.000 -0.206 0.000 1.071 356 F HN -0.102 nan 8.300 nan 0.000 0.578 357 N N 0.948 119.709 118.700 0.101 0.000 2.342 357 N HA 0.227 4.967 4.740 -0.000 0.000 0.293 357 N C -2.202 173.331 175.510 0.038 0.000 1.026 357 N CA -1.712 51.387 53.050 0.083 0.000 0.857 357 N CB 2.399 40.942 38.487 0.094 0.000 1.256 357 N HN -0.222 nan 8.380 nan 0.000 0.484 358 P HA 0.033 nan 4.420 nan 0.000 0.223 358 P C 1.514 178.796 177.300 -0.029 0.000 1.151 358 P CA 0.470 63.577 63.100 0.011 0.000 0.787 358 P CB 0.562 32.260 31.700 -0.002 0.000 0.788 359 I N -1.747 118.720 120.570 -0.172 0.000 2.567 359 I HA -0.247 3.923 4.170 -0.000 0.000 0.257 359 I C 1.059 176.994 176.117 -0.303 0.000 1.184 359 I CA 1.436 62.559 61.300 -0.294 0.000 1.451 359 I CB -0.009 37.689 38.000 -0.502 0.000 1.089 359 I HN -0.026 nan 8.210 nan 0.000 0.441 360 Y N 0.751 121.075 120.300 0.041 0.000 2.457 360 Y HA 0.385 4.934 4.550 -0.000 0.000 0.263 360 Y C 1.429 177.519 175.900 0.318 0.000 1.164 360 Y CA -0.174 58.003 58.100 0.129 0.000 1.274 360 Y CB -0.841 37.673 38.460 0.089 0.000 1.097 360 Y HN 0.028 nan 8.280 nan 0.000 0.523 361 A N 1.191 124.227 122.820 0.359 0.000 2.610 361 A HA -0.150 4.170 4.320 -0.000 0.000 0.250 361 A C 0.994 178.714 177.584 0.226 0.000 0.978 361 A CA 1.111 53.302 52.037 0.257 0.000 0.827 361 A CB -0.454 18.628 19.000 0.135 0.000 0.867 361 A HN 0.681 nan 8.150 nan 0.000 0.495 362 D N 0.129 120.466 120.400 -0.105 0.000 2.705 362 D HA -0.196 4.444 4.640 -0.000 0.000 0.187 362 D C 0.292 176.386 176.300 -0.344 0.000 1.015 362 D CA 2.376 56.220 54.000 -0.260 0.000 1.030 362 D CB -1.190 39.518 40.800 -0.154 0.000 1.100 362 D HN 0.943 nan 8.370 nan 0.000 0.439 363 H N -0.511 118.485 119.070 -0.124 0.000 2.605 363 H HA 0.370 4.926 4.556 -0.000 0.000 0.308 363 H C -0.075 175.353 175.328 0.166 0.000 1.080 363 H CA 0.088 56.154 56.048 0.031 0.000 1.119 363 H CB -0.309 29.571 29.762 0.195 0.000 1.479 363 H HN 0.427 nan 8.280 nan 0.000 0.537 364 Y N -5.014 115.274 120.300 -0.020 0.000 2.689 364 Y HA 0.638 5.188 4.550 -0.000 0.000 0.333 364 Y C 0.555 176.307 175.900 -0.245 0.000 1.208 364 Y CA -1.163 56.877 58.100 -0.099 0.000 1.055 364 Y CB 0.629 38.981 38.460 -0.179 0.000 1.304 364 Y HN -0.149 nan 8.280 nan 0.000 0.455 365 A N 1.088 123.820 122.820 -0.147 0.000 1.854 365 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 365 A C 1.135 178.672 177.584 -0.078 0.000 1.192 365 A CA 1.029 52.942 52.037 -0.207 0.000 0.611 365 A CB -0.373 18.617 19.000 -0.016 0.000 0.832 365 A HN 0.663 nan 8.150 nan 0.000 0.442 366 M N 1.971 121.632 119.600 0.101 0.000 3.596 366 M HA 0.170 4.650 4.480 -0.000 0.000 0.219 366 M C -0.524 175.812 176.300 0.060 0.000 1.471 366 M CA 0.257 55.600 55.300 0.072 0.000 1.644 366 M CB -1.069 31.577 32.600 0.076 0.000 1.083 366 M HN 0.223 nan 8.290 nan 0.000 0.579 367 R N 0.409 120.835 120.500 -0.122 0.000 2.298 367 R HA 0.512 4.852 4.340 -0.000 0.000 0.310 367 R C 1.129 177.380 176.300 -0.082 0.000 1.068 367 R CA 0.333 56.316 56.100 -0.194 0.000 0.957 367 R CB 0.507 30.608 30.300 -0.331 0.000 1.003 367 R HN 0.769 nan 8.270 nan 0.000 0.454 368 G N 2.478 111.253 108.800 -0.041 0.000 2.569 368 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.259 368 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.259 368 G C -0.677 174.202 174.900 -0.035 0.000 1.263 368 G CA -0.511 44.566 45.100 -0.038 0.000 0.928 368 G HN 0.516 nan 8.290 nan 0.000 0.572 369 E N 1.830 122.011 120.200 -0.033 0.000 2.277 369 E HA 0.548 4.898 4.350 -0.000 0.000 0.274 369 E C -1.479 175.105 176.600 -0.027 0.000 1.022 369 E CA -1.227 55.156 56.400 -0.027 0.000 0.853 369 E CB 1.268 30.954 29.700 -0.024 0.000 1.086 369 E HN 0.500 nan 8.360 nan 0.000 0.397 370 P HA 0.390 nan 4.420 nan 0.000 0.279 370 P C 0.373 177.658 177.300 -0.026 0.000 1.276 370 P CA -0.225 62.872 63.100 -0.004 0.000 0.801 370 P CB 1.050 32.764 31.700 0.024 0.000 1.127 371 G N -0.656 108.116 108.800 -0.046 0.000 2.624 371 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.190 371 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.190 371 G C -0.259 174.338 174.900 -0.505 0.000 1.008 371 G CA 0.024 45.012 45.100 -0.186 0.000 0.731 371 G HN 0.717 nan 8.290 nan 0.000 0.478 372 D N 0.805 121.028 120.400 -0.295 0.000 2.380 372 D HA 0.480 5.120 4.640 -0.000 0.000 0.230 372 D C 1.016 177.225 176.300 -0.151 0.000 1.154 372 D CA -0.545 53.299 54.000 -0.260 0.000 0.859 372 D CB 0.176 40.905 40.800 -0.117 0.000 1.045 372 D HN 0.293 nan 8.370 nan 0.000 0.495 373 H N 2.487 121.549 119.070 -0.014 0.000 2.526 373 H HA 0.096 4.652 4.556 -0.000 0.000 0.274 373 H C 0.300 175.621 175.328 -0.011 0.000 0.999 373 H CA -0.084 55.955 56.048 -0.015 0.000 1.157 373 H CB -0.154 29.601 29.762 -0.011 0.000 1.407 373 H HN 0.297 nan 8.280 nan 0.000 0.568 374 N N 1.573 120.308 118.700 0.059 0.000 3.298 374 N HA 0.240 4.980 4.740 -0.000 0.000 0.292 374 N C 0.034 175.560 175.510 0.027 0.000 1.271 374 N CA 0.123 53.196 53.050 0.037 0.000 1.184 374 N CB -0.099 38.395 38.487 0.012 0.000 1.452 374 N HN 0.501 nan 8.380 nan 0.000 0.534 375 G N 0.810 109.632 108.800 0.036 0.000 2.428 375 G HA2 0.270 4.230 3.960 -0.000 0.000 0.304 375 G HA3 0.270 4.230 3.960 -0.000 0.000 0.304 375 G C -3.264 171.651 174.900 0.025 0.000 1.303 375 G CA -0.722 44.394 45.100 0.027 0.000 0.825 375 G HN 0.097 nan 8.290 nan 0.000 0.484 376 P HA 0.307 nan 4.420 nan 0.000 0.274 376 P C -0.109 177.182 177.300 -0.016 0.000 1.246 376 P CA 0.106 63.212 63.100 0.010 0.000 0.795 376 P CB 0.640 32.348 31.700 0.014 0.000 1.006 377 T N 0.703 115.229 114.554 -0.046 0.000 2.814 377 T HA 0.258 4.608 4.350 -0.000 0.000 0.297 377 T C 0.077 174.663 174.700 -0.190 0.000 0.956 377 T CA 0.041 62.050 62.100 -0.152 0.000 1.123 377 T CB -0.107 68.655 68.868 -0.176 0.000 0.902 377 T HN 0.087 nan 8.240 nan 0.000 0.528 378 V N 4.874 124.639 119.914 -0.249 0.000 2.540 378 V HA 0.526 4.646 4.120 -0.000 0.000 0.302 378 V C -0.697 175.236 176.094 -0.268 0.000 1.035 378 V CA -0.923 61.303 62.300 -0.124 0.000 0.873 378 V CB 1.279 33.146 31.823 0.074 0.000 0.992 378 V HN 0.739 nan 8.190 nan 0.000 0.428 379 F N 2.731 122.743 119.950 0.102 0.000 2.436 379 F HA 0.808 5.335 4.527 -0.000 0.000 0.340 379 F C 0.474 176.425 175.800 0.252 0.000 1.113 379 F CA -0.478 57.580 58.000 0.097 0.000 1.022 379 F CB 1.915 40.882 39.000 -0.055 0.000 1.128 379 F HN 0.561 nan 8.300 nan 0.000 0.466 380 A N 1.479 124.526 122.820 0.378 0.000 2.371 380 A HA 0.777 5.097 4.320 -0.000 0.000 0.311 380 A C -0.623 177.044 177.584 0.138 0.000 1.068 380 A CA -0.690 51.524 52.037 0.296 0.000 0.744 380 A CB 0.937 20.050 19.000 0.187 0.000 1.239 380 A HN 0.709 nan 8.150 nan 0.000 0.435 381 T N -0.043 114.597 114.554 0.143 0.000 2.807 381 T HA 0.684 5.034 4.350 -0.000 0.000 0.279 381 T C -0.692 174.020 174.700 0.019 0.000 0.993 381 T CA -0.385 61.759 62.100 0.073 0.000 0.970 381 T CB 0.647 69.647 68.868 0.221 0.000 0.950 381 T HN 0.650 nan 8.240 nan 0.000 0.441 382 H N 0.780 119.941 119.070 0.151 0.000 2.547 382 H HA 0.453 5.009 4.556 -0.000 0.000 0.342 382 H C -0.241 175.091 175.328 0.005 0.000 1.048 382 H CA -1.079 55.023 56.048 0.089 0.000 1.204 382 H CB 1.432 31.271 29.762 0.129 0.000 1.493 382 H HN 0.577 nan 8.280 nan 0.000 0.511 383 S N 2.669 118.370 115.700 0.002 0.000 2.700 383 S HA -0.039 4.430 4.470 -0.000 0.000 0.321 383 S C 1.173 175.637 174.600 -0.226 0.000 1.161 383 S CA -0.304 57.761 58.200 -0.224 0.000 1.078 383 S CB 0.157 62.998 63.200 -0.600 0.000 1.302 383 S HN 0.710 nan 8.310 nan 0.000 0.540 384 T N 2.265 116.812 114.554 -0.012 0.000 2.737 384 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 384 T C 0.906 175.614 174.700 0.014 0.000 1.040 384 T CA 1.804 63.942 62.100 0.063 0.000 1.142 384 T CB -0.626 68.330 68.868 0.147 0.000 0.861 384 T HN 0.905 nan 8.240 nan 0.000 0.456 388 L N -0.243 121.093 121.223 0.189 0.000 2.891 388 L HA 0.312 4.651 4.340 -0.000 0.000 0.216 388 L C 0.081 177.019 176.870 0.115 0.000 1.209 388 L CA -0.352 54.584 54.840 0.159 0.000 0.957 388 L CB 0.386 42.548 42.059 0.172 0.000 1.876 388 L HN 0.069 nan 8.230 nan 0.000 0.532 389 N N 0.069 118.827 118.700 0.097 0.000 2.564 389 N HA 0.639 5.379 4.740 -0.000 0.000 0.248 389 N C -1.216 174.341 175.510 0.077 0.000 0.986 389 N CA -0.148 52.947 53.050 0.075 0.000 0.921 389 N CB 1.545 40.060 38.487 0.047 0.000 1.136 389 N HN 0.606 nan 8.380 nan 0.000 0.509 390 A N 1.479 124.354 122.820 0.091 0.000 2.601 390 A HA 0.478 4.798 4.320 -0.000 0.000 0.291 390 A C -1.136 176.507 177.584 0.098 0.000 1.075 390 A CA -0.709 51.380 52.037 0.088 0.000 0.671 390 A CB 0.839 19.906 19.000 0.111 0.000 1.277 390 A HN 0.446 nan 8.150 nan 0.000 0.417 391 L N 1.482 122.739 121.223 0.055 0.000 2.461 391 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 391 L C 0.943 177.817 176.870 0.007 0.000 1.197 391 L CA -0.238 54.617 54.840 0.025 0.000 0.836 391 L CB 0.802 42.856 42.059 -0.008 0.000 1.105 391 L HN 0.773 nan 8.230 nan 0.000 0.477 392 S N 2.334 117.973 115.700 -0.101 0.000 2.643 392 S HA -0.112 4.358 4.470 -0.000 0.000 0.310 392 S C 0.658 175.069 174.600 -0.315 0.000 1.253 392 S CA 0.293 58.233 58.200 -0.434 0.000 1.047 392 S CB 0.366 63.364 63.200 -0.338 0.000 0.767 392 S HN 0.816 nan 8.310 nan 0.000 0.498 393 Q N -1.977 117.565 119.800 -0.431 0.000 2.589 393 Q HA -0.182 4.158 4.340 -0.000 0.000 0.154 393 Q C 0.124 176.134 176.000 0.016 0.000 0.562 393 Q CA 0.833 56.558 55.803 -0.129 0.000 1.260 393 Q CB -1.563 27.124 28.738 -0.085 0.000 0.984 393 Q HN 0.889 nan 8.270 nan 0.000 1.098 394 A N 1.228 124.096 122.820 0.079 0.000 2.440 394 A HA 0.608 4.928 4.320 -0.000 0.000 0.251 394 A C 0.122 177.760 177.584 0.090 0.000 1.089 394 A CA 0.892 52.968 52.037 0.065 0.000 0.779 394 A CB 1.239 20.279 19.000 0.066 0.000 1.022 394 A HN 0.200 nan 8.150 nan 0.000 0.492 395 S N 0.767 116.429 115.700 -0.062 0.000 2.570 395 S HA 0.700 5.169 4.470 -0.000 0.000 0.270 395 S C -1.852 172.601 174.600 -0.246 0.000 1.149 395 S CA -0.437 57.731 58.200 -0.053 0.000 0.837 395 S CB 0.756 63.966 63.200 0.017 0.000 1.124 395 S HN 0.553 nan 8.310 nan 0.000 0.465 396 Y N 1.339 121.625 120.300 -0.023 0.000 2.499 396 Y HA 0.624 5.173 4.550 -0.000 0.000 0.347 396 Y C -0.251 175.514 175.900 -0.225 0.000 0.987 396 Y CA -0.737 57.251 58.100 -0.185 0.000 1.044 396 Y CB 1.628 39.777 38.460 -0.519 0.000 1.245 396 Y HN 0.531 nan 8.280 nan 0.000 0.461 397 I N 4.363 124.975 120.570 0.070 0.000 2.330 397 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 397 I C -0.718 175.420 176.117 0.035 0.000 1.001 397 I CA -0.541 60.813 61.300 0.090 0.000 1.193 397 I CB 0.586 38.715 38.000 0.215 0.000 1.345 397 I HN 0.501 nan 8.210 nan 0.000 0.461 398 H N 5.786 124.969 119.070 0.188 0.000 2.459 398 H HA 0.567 5.123 4.556 -0.000 0.000 0.332 398 H C -0.794 174.597 175.328 0.106 0.000 1.094 398 H CA -0.598 55.528 56.048 0.131 0.000 1.224 398 H CB 2.362 32.145 29.762 0.034 0.000 1.449 398 H HN 0.196 nan 8.280 nan 0.000 0.484 399 V N 4.260 124.272 119.914 0.164 0.000 2.531 399 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 399 V C 0.164 176.208 176.094 -0.083 0.000 1.034 399 V CA -0.840 61.403 62.300 -0.096 0.000 0.865 399 V CB 2.142 33.862 31.823 -0.172 0.000 0.995 399 V HN 0.633 nan 8.190 nan 0.000 0.424 400 R N 2.568 122.980 120.500 -0.148 0.000 2.295 400 R HA 0.480 4.820 4.340 -0.000 0.000 0.324 400 R C -0.422 175.791 176.300 -0.145 0.000 0.968 400 R CA -0.549 55.504 56.100 -0.077 0.000 0.837 400 R CB 1.869 32.160 30.300 -0.016 0.000 1.133 400 R HN 0.719 nan 8.270 nan 0.000 0.450 401 E N 0.924 121.061 120.200 -0.105 0.000 2.313 401 E HA 0.305 4.655 4.350 -0.000 0.000 0.276 401 E C 0.088 176.640 176.600 -0.080 0.000 1.031 401 E CA -0.124 56.176 56.400 -0.166 0.000 0.857 401 E CB 1.520 31.064 29.700 -0.259 0.000 1.040 401 E HN 0.757 nan 8.360 nan 0.000 0.408 402 G N 2.663 111.417 108.800 -0.077 0.000 3.100 402 G HA2 0.259 4.219 3.960 -0.000 0.000 0.174 402 G HA3 0.259 4.219 3.960 -0.000 0.000 0.174 402 G C -0.813 174.080 174.900 -0.012 0.000 1.136 402 G CA -0.807 44.291 45.100 -0.003 0.000 0.881 402 G HN 0.393 nan 8.290 nan 0.000 0.616 403 R N -0.043 120.462 120.500 0.009 0.000 2.590 403 R HA 0.419 4.759 4.340 -0.000 0.000 0.274 403 R C 1.067 177.376 176.300 0.015 0.000 1.061 403 R CA 0.938 57.046 56.100 0.014 0.000 1.081 403 R CB 0.544 30.856 30.300 0.021 0.000 0.984 403 R HN 1.362 nan 8.270 nan 0.000 0.448 404 G N 0.990 109.804 108.800 0.024 0.000 2.249 404 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.273 404 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.273 404 G C 0.266 175.195 174.900 0.049 0.000 1.036 404 G CA 0.222 45.347 45.100 0.042 0.000 0.824 404 G HN 0.864 nan 8.290 nan 0.000 0.504 405 A N -0.737 122.092 122.820 0.016 0.000 2.406 405 A HA 0.649 4.969 4.320 -0.000 0.000 0.243 405 A C 0.564 178.182 177.584 0.056 0.000 1.082 405 A CA 0.337 52.374 52.037 0.000 0.000 0.786 405 A CB 0.373 19.338 19.000 -0.058 0.000 1.029 405 A HN 0.926 nan 8.150 nan 0.000 0.495 406 I N 2.299 122.921 120.570 0.087 0.000 2.382 406 I HA 0.181 4.351 4.170 -0.000 0.000 0.285 406 I C -0.063 176.148 176.117 0.158 0.000 1.007 406 I CA -0.802 60.591 61.300 0.154 0.000 1.142 406 I CB 1.275 39.444 38.000 0.282 0.000 1.289 406 I HN 0.844 nan 8.210 nan 0.000 0.453 407 N N 5.266 124.059 118.700 0.154 0.000 2.297 407 N HA -0.066 4.674 4.740 -0.000 0.000 0.232 407 N C 0.705 176.399 175.510 0.306 0.000 1.311 407 N CA -0.039 53.129 53.050 0.196 0.000 0.897 407 N CB 0.599 39.180 38.487 0.156 0.000 1.137 407 N HN 0.557 nan 8.380 nan 0.000 0.449 408 F N 0.915 120.997 119.950 0.220 0.000 2.069 408 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 408 F C 2.182 178.157 175.800 0.291 0.000 1.113 408 F CA 2.092 60.286 58.000 0.324 0.000 1.214 408 F CB -0.609 38.496 39.000 0.176 0.000 0.978 408 F HN 0.503 nan 8.300 nan 0.000 0.474 409 S N 0.530 116.424 115.700 0.324 0.000 2.372 409 S HA -0.270 4.200 4.470 -0.000 0.000 0.227 409 S C 1.988 176.616 174.600 0.048 0.000 1.044 409 S CA 1.782 60.080 58.200 0.162 0.000 1.050 409 S CB -0.443 62.869 63.200 0.187 0.000 0.901 409 S HN 0.414 nan 8.310 nan 0.000 0.447 410 R N -0.483 120.069 120.500 0.087 0.000 2.062 410 R HA 0.004 4.344 4.340 -0.000 0.000 0.231 410 R C 2.108 178.413 176.300 0.009 0.000 1.136 410 R CA 1.523 57.654 56.100 0.052 0.000 0.948 410 R CB -0.471 29.880 30.300 0.086 0.000 0.845 410 R HN 0.396 nan 8.270 nan 0.000 0.430 411 F N 1.820 121.703 119.950 -0.111 0.000 2.259 411 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 411 F C 1.962 177.560 175.800 -0.337 0.000 1.088 411 F CA 1.208 59.056 58.000 -0.252 0.000 1.358 411 F CB -0.139 38.661 39.000 -0.334 0.000 1.040 411 F HN -0.047 nan 8.300 nan 0.000 0.505 412 N N -0.053 118.532 118.700 -0.191 0.000 2.381 412 N HA -0.157 4.583 4.740 -0.000 0.000 0.182 412 N C 1.674 177.142 175.510 -0.071 0.000 1.025 412 N CA 0.866 53.837 53.050 -0.132 0.000 0.888 412 N CB -0.139 38.131 38.487 -0.362 0.000 0.965 412 N HN 0.299 nan 8.380 nan 0.000 0.438 413 Q N -0.348 119.374 119.800 -0.130 0.000 2.119 413 Q HA 0.048 4.388 4.340 -0.000 0.000 0.201 413 Q C 1.902 177.798 176.000 -0.173 0.000 0.972 413 Q CA 1.226 56.963 55.803 -0.110 0.000 0.847 413 Q CB -0.399 28.282 28.738 -0.094 0.000 0.903 413 Q HN 0.465 nan 8.270 nan 0.000 0.433 414 A N -0.135 122.504 122.820 -0.302 0.000 1.929 414 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 414 A C 1.974 179.364 177.584 -0.323 0.000 1.176 414 A CA 0.949 52.759 52.037 -0.377 0.000 0.628 414 A CB -0.758 17.851 19.000 -0.652 0.000 0.816 414 A HN 0.370 nan 8.150 nan 0.000 0.444 415 Y N 0.192 120.221 120.300 -0.451 0.000 2.070 415 Y HA -0.275 4.274 4.550 -0.000 0.000 0.280 415 Y C 2.410 178.274 175.900 -0.059 0.000 1.148 415 Y CA 2.510 60.490 58.100 -0.200 0.000 1.125 415 Y CB -0.340 38.130 38.460 0.017 0.000 0.975 415 Y HN 0.272 nan 8.280 nan 0.000 0.492 416 M N -0.782 118.883 119.600 0.108 0.000 2.213 416 M HA -0.247 4.233 4.480 -0.000 0.000 0.263 416 M C 2.324 178.539 176.300 -0.142 0.000 1.062 416 M CA 1.987 57.302 55.300 0.025 0.000 1.105 416 M CB -0.286 32.356 32.600 0.069 0.000 1.385 416 M HN 0.521 nan 8.290 nan 0.000 0.417 417 M N -0.286 119.184 119.600 -0.216 0.000 2.202 417 M HA -0.222 4.258 4.480 -0.000 0.000 0.262 417 M C 1.213 177.178 176.300 -0.558 0.000 1.063 417 M CA 1.860 56.930 55.300 -0.383 0.000 1.097 417 M CB -0.138 32.192 32.600 -0.450 0.000 1.382 417 M HN 0.213 nan 8.290 nan 0.000 0.413 418 H N -0.887 118.035 119.070 -0.246 0.000 2.581 418 H HA 0.519 5.075 4.556 -0.000 0.000 0.275 418 H C 0.071 175.240 175.328 -0.266 0.000 1.126 418 H CA 0.218 56.122 56.048 -0.239 0.000 1.097 418 H CB -0.200 29.411 29.762 -0.252 0.000 1.626 418 H HN 0.422 nan 8.280 nan 0.000 0.565 419 A N 0.776 123.464 122.820 -0.220 0.000 2.239 419 A HA 0.471 4.790 4.320 -0.000 0.000 0.303 419 A C 0.352 177.879 177.584 -0.095 0.000 1.114 419 A CA -0.333 51.579 52.037 -0.209 0.000 0.871 419 A CB 0.958 19.814 19.000 -0.241 0.000 1.201 419 A HN 0.181 nan 8.150 nan 0.000 0.506 420 T N -1.426 113.098 114.554 -0.050 0.000 2.855 420 T HA 0.435 4.784 4.350 -0.000 0.000 0.281 420 T C 1.101 175.798 174.700 -0.006 0.000 1.007 420 T CA 0.240 62.324 62.100 -0.026 0.000 1.009 420 T CB 0.842 69.702 68.868 -0.014 0.000 0.983 420 T HN 0.885 nan 8.240 nan 0.000 0.455 421 T N 1.076 115.625 114.554 -0.008 0.000 3.113 421 T HA 0.107 4.457 4.350 -0.000 0.000 0.263 421 T C 0.784 175.482 174.700 -0.004 0.000 1.143 421 T CA 0.117 62.217 62.100 -0.000 0.000 1.090 421 T CB 0.013 68.879 68.868 -0.003 0.000 0.922 421 T HN 0.390 nan 8.240 nan 0.000 0.521 422 S N 3.032 118.727 115.700 -0.008 0.000 2.062 422 S HA 0.355 4.824 4.470 -0.000 0.000 0.163 422 S C -2.542 172.043 174.600 -0.026 0.000 1.612 422 S CA -1.146 57.039 58.200 -0.024 0.000 1.251 422 S CB 0.600 63.788 63.200 -0.019 0.000 1.174 422 S HN 0.420 nan 8.310 nan 0.000 0.428 423 P HA 0.125 nan 4.420 nan 0.000 0.268 423 P C -0.449 176.849 177.300 -0.003 0.000 1.205 423 P CA -0.624 62.504 63.100 0.047 0.000 0.771 423 P CB 0.554 32.343 31.700 0.148 0.000 0.858 424 L N 4.425 125.681 121.223 0.056 0.000 2.342 424 L HA 0.094 4.434 4.340 -0.000 0.000 0.285 424 L C 0.808 177.818 176.870 0.234 0.000 1.095 424 L CA -0.085 54.793 54.840 0.063 0.000 0.843 424 L CB -0.602 41.490 42.059 0.055 0.000 1.201 424 L HN 0.210 nan 8.230 nan 0.000 0.445 425 Y N 3.798 124.195 120.300 0.161 0.000 2.333 425 Y HA -0.174 4.376 4.550 -0.000 0.000 0.290 425 Y C 2.265 178.250 175.900 0.142 0.000 1.144 425 Y CA 0.741 58.967 58.100 0.209 0.000 1.228 425 Y CB -1.310 37.304 38.460 0.256 0.000 0.985 425 Y HN 0.786 nan 8.280 nan 0.000 0.542 426 A N 0.666 123.624 122.820 0.230 0.000 1.892 426 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 426 A C 2.373 180.008 177.584 0.084 0.000 1.188 426 A CA 2.057 54.159 52.037 0.108 0.000 0.631 426 A CB -1.122 17.885 19.000 0.013 0.000 0.822 426 A HN 0.428 nan 8.150 nan 0.000 0.447 427 I N -0.459 120.169 120.570 0.096 0.000 2.127 427 I HA -0.367 3.802 4.170 -0.000 0.000 0.241 427 I C 2.545 178.719 176.117 0.095 0.000 1.075 427 I CA 1.517 62.862 61.300 0.075 0.000 1.334 427 I CB -0.685 37.357 38.000 0.070 0.000 1.040 427 I HN 0.398 nan 8.210 nan 0.000 0.405 428 C N 0.860 120.262 119.300 0.170 0.000 2.411 428 C HA -0.125 4.335 4.460 -0.000 0.000 0.279 428 C C 3.174 178.233 174.990 0.115 0.000 1.288 428 C CA 0.789 59.911 59.018 0.173 0.000 1.764 428 C CB -1.403 26.526 27.740 0.314 0.000 1.974 428 C HN 0.609 nan 8.230 nan 0.000 0.498 429 A N 1.320 124.203 122.820 0.106 0.000 1.930 429 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 429 A C 2.320 179.894 177.584 -0.016 0.000 1.175 429 A CA 2.147 54.226 52.037 0.071 0.000 0.627 429 A CB -0.802 18.249 19.000 0.085 0.000 0.815 429 A HN 0.690 nan 8.150 nan 0.000 0.443 430 S N 0.042 115.730 115.700 -0.020 0.000 2.402 430 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 430 S C 1.764 176.390 174.600 0.044 0.000 1.021 430 S CA 1.464 59.646 58.200 -0.029 0.000 0.974 430 S CB -0.563 62.627 63.200 -0.017 0.000 0.800 430 S HN 0.492 nan 8.310 nan 0.000 0.484 431 N N 2.053 120.798 118.700 0.074 0.000 2.216 431 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 431 N C 1.399 177.058 175.510 0.248 0.000 1.017 431 N CA 1.367 54.495 53.050 0.129 0.000 0.861 431 N CB -0.637 37.842 38.487 -0.014 0.000 0.986 431 N HN 0.542 nan 8.380 nan 0.000 0.428 432 D N -0.665 119.855 120.400 0.200 0.000 2.097 432 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 432 D C 1.847 178.280 176.300 0.222 0.000 0.984 432 D CA 0.712 54.859 54.000 0.244 0.000 0.826 432 D CB 0.014 40.931 40.800 0.195 0.000 0.973 432 D HN -0.001 nan 8.370 nan 0.000 0.460 433 V N 0.815 120.805 119.914 0.126 0.000 2.358 433 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 433 V C 2.595 178.744 176.094 0.092 0.000 1.047 433 V CA 1.524 63.873 62.300 0.081 0.000 1.035 433 V CB -0.952 30.837 31.823 -0.057 0.000 0.658 433 V HN 0.304 nan 8.190 nan 0.000 0.452 434 A N 0.216 123.101 122.820 0.108 0.000 1.915 434 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 434 A C 2.417 180.083 177.584 0.137 0.000 1.198 434 A CA 2.609 54.723 52.037 0.129 0.000 0.647 434 A CB -0.928 18.180 19.000 0.181 0.000 0.825 434 A HN 0.350 nan 8.150 nan 0.000 0.456 435 V N -0.687 119.328 119.914 0.169 0.000 2.255 435 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 435 V C 2.757 178.830 176.094 -0.035 0.000 1.051 435 V CA 2.388 64.740 62.300 0.087 0.000 1.018 435 V CB -1.032 30.762 31.823 -0.048 0.000 0.641 435 V HN 0.662 nan 8.190 nan 0.000 0.445 436 S N -0.667 115.100 115.700 0.111 0.000 2.372 436 S HA -0.290 4.180 4.470 -0.000 0.000 0.227 436 S C 1.967 176.590 174.600 0.039 0.000 1.044 436 S CA 2.360 60.664 58.200 0.174 0.000 1.050 436 S CB -0.339 62.978 63.200 0.194 0.000 0.901 436 S HN 0.528 nan 8.310 nan 0.000 0.447 437 M N 0.137 119.735 119.600 -0.004 0.000 2.296 437 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 437 M C 1.562 177.758 176.300 -0.173 0.000 1.064 437 M CA 0.953 56.221 55.300 -0.053 0.000 1.109 437 M CB -0.245 32.338 32.600 -0.029 0.000 1.396 437 M HN 0.330 nan 8.290 nan 0.000 0.430 438 M N -0.548 118.858 119.600 -0.323 0.000 2.556 438 M HA 0.104 4.584 4.480 -0.000 0.000 0.245 438 M C 0.073 176.003 176.300 -0.615 0.000 1.128 438 M CA 0.414 55.267 55.300 -0.745 0.000 1.069 438 M CB -1.206 30.536 32.600 -1.430 0.000 1.469 438 M HN -0.009 nan 8.290 nan 0.000 0.494 439 D N 1.187 121.415 120.400 -0.287 0.000 2.308 439 D HA 0.442 5.081 4.640 -0.000 0.000 0.251 439 D C 1.010 177.278 176.300 -0.054 0.000 1.127 439 D CA 1.351 55.272 54.000 -0.133 0.000 0.876 439 D CB 0.847 41.659 40.800 0.019 0.000 1.176 439 D HN 0.448 nan 8.370 nan 0.000 0.446 440 G N 4.637 113.425 108.800 -0.021 0.000 2.528 440 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.262 440 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.262 440 G C 1.058 175.955 174.900 -0.004 0.000 1.200 440 G CA 0.231 45.333 45.100 0.003 0.000 0.951 440 G HN 0.564 nan 8.290 nan 0.000 0.566 441 N N 1.260 119.962 118.700 0.005 0.000 2.289 441 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 441 N C 2.591 178.101 175.510 -0.000 0.000 1.016 441 N CA 2.074 55.130 53.050 0.009 0.000 0.872 441 N CB -0.430 38.071 38.487 0.023 0.000 0.973 441 N HN 0.844 nan 8.380 nan 0.000 0.433 442 S N -0.558 115.133 115.700 -0.014 0.000 2.428 442 S HA 0.019 4.488 4.470 -0.000 0.000 0.230 442 S C 2.149 176.709 174.600 -0.067 0.000 1.014 442 S CA 0.835 59.018 58.200 -0.027 0.000 0.957 442 S CB -0.817 62.372 63.200 -0.018 0.000 0.784 442 S HN 0.327 nan 8.310 nan 0.000 0.499 443 G N 2.498 111.223 108.800 -0.125 0.000 2.491 443 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 443 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 443 G C 1.346 176.237 174.900 -0.014 0.000 1.180 443 G CA 1.158 46.143 45.100 -0.190 0.000 0.774 443 G HN 0.468 nan 8.290 nan 0.000 0.562 444 L N 1.036 122.275 121.223 0.027 0.000 2.012 444 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 444 L C 2.927 179.806 176.870 0.016 0.000 1.073 444 L CA 2.675 57.539 54.840 0.039 0.000 0.748 444 L CB -0.967 41.109 42.059 0.029 0.000 0.891 444 L HN 0.255 nan 8.230 nan 0.000 0.431 445 S N -0.898 114.804 115.700 0.003 0.000 2.353 445 S HA -0.194 4.276 4.470 -0.000 0.000 0.222 445 S C 2.068 176.668 174.600 -0.000 0.000 1.035 445 S CA 1.816 60.016 58.200 0.000 0.000 1.025 445 S CB -0.487 62.715 63.200 0.002 0.000 0.902 445 S HN 0.474 nan 8.310 nan 0.000 0.440 446 L N 1.013 122.232 121.223 -0.007 0.000 1.994 446 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 446 L C 3.071 179.939 176.870 -0.003 0.000 1.071 446 L CA 1.881 56.717 54.840 -0.006 0.000 0.745 446 L CB -1.315 40.730 42.059 -0.024 0.000 0.892 446 L HN 0.546 nan 8.230 nan 0.000 0.431 447 T N -3.495 111.064 114.554 0.008 0.000 2.777 447 T HA -0.262 4.088 4.350 -0.000 0.000 0.266 447 T C 1.808 176.507 174.700 -0.002 0.000 1.040 447 T CA 1.227 63.337 62.100 0.016 0.000 1.141 447 T CB -0.333 68.603 68.868 0.114 0.000 0.868 447 T HN 0.112 nan 8.240 nan 0.000 0.444 448 Q N 1.693 121.491 119.800 -0.003 0.000 2.096 448 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 448 Q C 2.218 178.207 176.000 -0.018 0.000 0.982 448 Q CA 2.160 57.948 55.803 -0.025 0.000 0.850 448 Q CB -0.536 28.189 28.738 -0.022 0.000 0.901 448 Q HN 0.813 nan 8.270 nan 0.000 0.422 449 E N -1.192 119.009 120.200 0.001 0.000 2.077 449 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 449 E C 1.736 178.359 176.600 0.039 0.000 0.989 449 E CA 1.504 57.918 56.400 0.024 0.000 0.800 449 E CB 0.083 29.802 29.700 0.033 0.000 0.746 449 E HN 0.298 nan 8.360 nan 0.000 0.452 450 V N 1.225 121.153 119.914 0.023 0.000 2.343 450 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 450 V C 2.405 178.491 176.094 -0.013 0.000 1.051 450 V CA 1.692 64.019 62.300 0.045 0.000 1.036 450 V CB -0.488 31.332 31.823 -0.006 0.000 0.654 450 V HN 0.312 nan 8.190 nan 0.000 0.451 451 I N 0.466 120.993 120.570 -0.073 0.000 2.163 451 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 451 I C 2.353 178.401 176.117 -0.116 0.000 1.085 451 I CA 1.799 63.012 61.300 -0.145 0.000 1.347 451 I CB -0.628 37.261 38.000 -0.185 0.000 1.044 451 I HN 0.300 nan 8.210 nan 0.000 0.408 452 D N 0.656 121.023 120.400 -0.055 0.000 2.104 452 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 452 D C 2.169 178.469 176.300 -0.000 0.000 0.994 452 D CA 1.163 55.150 54.000 -0.022 0.000 0.830 452 D CB -0.326 40.481 40.800 0.012 0.000 0.959 452 D HN 0.322 nan 8.370 nan 0.000 0.452 453 E N 0.587 120.822 120.200 0.059 0.000 2.051 453 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 453 E C 2.134 178.657 176.600 -0.128 0.000 0.991 453 E CA 0.954 57.459 56.400 0.176 0.000 0.799 453 E CB -0.343 29.593 29.700 0.393 0.000 0.748 453 E HN 0.232 nan 8.360 nan 0.000 0.449 454 A N 0.982 123.544 122.820 -0.430 0.000 1.902 454 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 454 A C 2.631 179.979 177.584 -0.393 0.000 1.181 454 A CA 1.450 52.967 52.037 -0.868 0.000 0.623 454 A CB -0.688 17.842 19.000 -0.784 0.000 0.818 454 A HN 0.133 nan 8.150 nan 0.000 0.443 455 V N 0.666 120.457 119.914 -0.205 0.000 2.343 455 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 455 V C 2.216 178.208 176.094 -0.169 0.000 1.051 455 V CA 2.320 64.583 62.300 -0.061 0.000 1.036 455 V CB -0.856 30.966 31.823 -0.002 0.000 0.654 455 V HN 0.493 nan 8.190 nan 0.000 0.451 456 D N -0.418 119.837 120.400 -0.241 0.000 2.116 456 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 456 D C 1.882 177.694 176.300 -0.814 0.000 0.998 456 D CA 1.490 55.273 54.000 -0.361 0.000 0.836 456 D CB -0.357 40.371 40.800 -0.120 0.000 0.951 456 D HN 0.439 nan 8.370 nan 0.000 0.449 457 F N 1.972 121.155 119.950 -1.278 0.000 2.075 457 F HA -0.131 4.395 4.527 -0.000 0.000 0.297 457 F C 2.322 177.847 175.800 -0.458 0.000 1.113 457 F CA 1.450 58.764 58.000 -1.142 0.000 1.218 457 F CB -0.334 38.283 39.000 -0.637 0.000 0.984 457 F HN -0.191 nan 8.300 nan 0.000 0.472 458 R N 0.006 120.224 120.500 -0.471 0.000 2.096 458 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 458 R C 2.322 178.561 176.300 -0.102 0.000 1.139 458 R CA 2.113 58.027 56.100 -0.310 0.000 0.952 458 R CB -0.716 29.573 30.300 -0.019 0.000 0.854 458 R HN 0.474 nan 8.270 nan 0.000 0.436 459 Q N -0.213 119.579 119.800 -0.014 0.000 2.124 459 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 459 Q C 2.261 178.236 176.000 -0.042 0.000 0.977 459 Q CA 1.376 57.187 55.803 0.013 0.000 0.850 459 Q CB -0.100 28.575 28.738 -0.104 0.000 0.901 459 Q HN 0.394 nan 8.270 nan 0.000 0.429 460 A N 0.917 123.647 122.820 -0.149 0.000 1.877 460 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 460 A C 2.054 179.658 177.584 0.033 0.000 1.186 460 A CA 1.383 53.395 52.037 -0.041 0.000 0.620 460 A CB -0.391 18.583 19.000 -0.042 0.000 0.822 460 A HN 0.237 nan 8.150 nan 0.000 0.443 461 M N -0.371 119.185 119.600 -0.074 0.000 2.117 461 M HA -0.113 4.367 4.480 -0.000 0.000 0.262 461 M C 2.525 178.934 176.300 0.182 0.000 1.065 461 M CA 1.624 56.961 55.300 0.063 0.000 1.114 461 M CB -1.646 30.819 32.600 -0.225 0.000 1.361 461 M HN 0.490 nan 8.290 nan 0.000 0.408 462 A N 0.208 123.083 122.820 0.091 0.000 1.902 462 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 462 A C 2.351 180.055 177.584 0.201 0.000 1.181 462 A CA 1.674 53.809 52.037 0.164 0.000 0.623 462 A CB -0.610 18.492 19.000 0.169 0.000 0.818 462 A HN 0.458 nan 8.150 nan 0.000 0.443 463 R N -0.589 119.986 120.500 0.125 0.000 2.081 463 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 463 R C 2.010 178.340 176.300 0.050 0.000 1.131 463 R CA 1.446 57.590 56.100 0.072 0.000 0.960 463 R CB -0.438 29.882 30.300 0.032 0.000 0.856 463 R HN 0.510 nan 8.270 nan 0.000 0.436 464 L N -0.856 120.419 121.223 0.087 0.000 2.156 464 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 464 L C 2.274 179.237 176.870 0.156 0.000 1.095 464 L CA 0.911 55.744 54.840 -0.011 0.000 0.770 464 L CB -0.440 41.566 42.059 -0.088 0.000 0.914 464 L HN 0.204 nan 8.230 nan 0.000 0.439 465 Y N 1.314 121.772 120.300 0.263 0.000 2.145 465 Y HA -0.322 4.227 4.550 -0.000 0.000 0.286 465 Y C 2.694 178.699 175.900 0.175 0.000 1.145 465 Y CA 1.927 60.219 58.100 0.321 0.000 1.148 465 Y CB -0.133 38.493 38.460 0.276 0.000 0.981 465 Y HN -0.023 nan 8.280 nan 0.000 0.507 466 K N 0.343 120.765 120.400 0.037 0.000 2.009 466 K HA -0.283 4.036 4.320 -0.000 0.000 0.210 466 K C 2.294 178.813 176.600 -0.135 0.000 1.049 466 K CA 2.056 58.303 56.287 -0.067 0.000 0.929 466 K CB -0.385 32.130 32.500 0.025 0.000 0.714 466 K HN 0.526 nan 8.250 nan 0.000 0.440 467 E N -0.585 119.529 120.200 -0.143 0.000 2.058 467 E HA -0.207 4.142 4.350 -0.000 0.000 0.194 467 E C 1.835 178.250 176.600 -0.309 0.000 0.997 467 E CA 1.530 57.782 56.400 -0.246 0.000 0.801 467 E CB -0.170 29.328 29.700 -0.337 0.000 0.746 467 E HN 0.354 nan 8.360 nan 0.000 0.450 468 F N 0.616 120.412 119.950 -0.258 0.000 2.186 468 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 468 F C 2.635 178.298 175.800 -0.229 0.000 1.090 468 F CA 1.506 59.349 58.000 -0.263 0.000 1.307 468 F CB -0.297 38.517 39.000 -0.310 0.000 1.019 468 F HN 0.069 nan 8.300 nan 0.000 0.489 469 T N -0.274 114.199 114.554 -0.135 0.000 2.708 469 T HA -0.190 4.159 4.350 -0.000 0.000 0.266 469 T C 2.225 176.865 174.700 -0.100 0.000 1.037 469 T CA 1.243 63.235 62.100 -0.181 0.000 1.146 469 T CB -0.625 68.016 68.868 -0.379 0.000 0.865 469 T HN 0.300 nan 8.240 nan 0.000 0.435 470 A N 1.215 123.969 122.820 -0.110 0.000 2.070 470 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 470 A C 2.016 179.560 177.584 -0.066 0.000 1.159 470 A CA 1.400 53.389 52.037 -0.080 0.000 0.656 470 A CB -0.348 18.599 19.000 -0.088 0.000 0.800 470 A HN 0.346 nan 8.150 nan 0.000 0.453 471 D N -1.429 118.930 120.400 -0.069 0.000 2.340 471 D HA 0.228 4.868 4.640 -0.000 0.000 0.217 471 D C 1.179 177.476 176.300 -0.005 0.000 1.081 471 D CA 0.858 54.828 54.000 -0.050 0.000 0.842 471 D CB 0.002 40.750 40.800 -0.087 0.000 0.934 471 D HN 0.499 nan 8.370 nan 0.000 0.511 472 G N 0.740 109.542 108.800 0.004 0.000 2.160 472 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 472 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 472 G C 0.231 175.173 174.900 0.068 0.000 1.022 472 G CA 0.651 45.769 45.100 0.030 0.000 0.741 472 G HN 0.410 nan 8.290 nan 0.000 0.508 473 S N -0.606 115.144 115.700 0.084 0.000 2.599 473 S HA 0.774 5.244 4.470 -0.000 0.000 0.294 473 S C 0.195 174.852 174.600 0.095 0.000 1.094 473 S CA -0.345 57.922 58.200 0.111 0.000 0.931 473 S CB 1.028 64.300 63.200 0.120 0.000 1.093 473 S HN 0.945 nan 8.310 nan 0.000 0.488 474 W N 3.011 124.295 121.300 -0.028 0.000 2.253 474 W HA 0.733 5.392 4.660 -0.000 0.000 0.348 474 W C -1.345 175.126 176.519 -0.081 0.000 1.229 474 W CA -0.812 56.499 57.345 -0.055 0.000 1.335 474 W CB 0.123 29.512 29.460 -0.119 0.000 1.165 474 W HN 0.557 nan 8.180 nan 0.000 0.631 475 F N 0.104 119.962 119.950 -0.152 0.000 2.877 475 F HA 0.493 5.020 4.527 -0.000 0.000 0.319 475 F C -1.402 174.409 175.800 0.018 0.000 1.174 475 F CA -2.162 55.529 58.000 -0.514 0.000 0.903 475 F CB 0.749 39.480 39.000 -0.448 0.000 1.357 475 F HN 0.171 nan 8.300 nan 0.000 0.472 476 F N 2.166 121.773 119.950 -0.571 0.000 2.380 476 F HA 0.545 5.072 4.527 -0.000 0.000 0.325 476 F C -0.175 175.555 175.800 -0.116 0.000 1.136 476 F CA -0.245 57.571 58.000 -0.307 0.000 1.171 476 F CB 0.882 39.583 39.000 -0.498 0.000 1.230 476 F HN 0.304 nan 8.300 nan 0.000 0.554 477 K N 1.231 121.609 120.400 -0.037 0.000 2.469 477 K HA 0.589 4.908 4.320 -0.000 0.000 0.254 477 K C -3.374 173.137 176.600 -0.149 0.000 0.939 477 K CA -2.148 54.008 56.287 -0.219 0.000 0.812 477 K CB 2.263 34.310 32.500 -0.756 0.000 1.301 477 K HN 0.139 nan 8.250 nan 0.000 0.433 478 P HA -0.009 nan 4.420 nan 0.000 0.275 478 P C -1.114 176.119 177.300 -0.112 0.000 1.228 478 P CA -0.212 62.786 63.100 -0.170 0.000 0.786 478 P CB 0.370 31.885 31.700 -0.309 0.000 0.927 479 W N 5.880 127.067 121.300 -0.188 0.000 2.422 479 W HA 0.235 4.894 4.660 -0.000 0.000 0.349 479 W C -0.096 176.371 176.519 -0.087 0.000 1.062 479 W CA 0.248 57.533 57.345 -0.100 0.000 1.497 479 W CB -0.558 28.875 29.460 -0.044 0.000 1.407 479 W HN 0.460 nan 8.180 nan 0.000 0.393 480 N N 3.003 121.357 118.700 -0.577 0.000 3.261 480 N HA 0.188 4.928 4.740 -0.000 0.000 0.248 480 N C -1.463 173.086 175.510 -1.602 0.000 1.498 480 N CA -1.238 51.125 53.050 -1.144 0.000 0.884 480 N CB 1.035 38.898 38.487 -1.041 0.000 1.428 480 N HN 0.125 nan 8.380 nan 0.000 0.517 481 K N 0.419 119.519 120.400 -2.167 0.000 2.524 481 K HA -0.037 4.283 4.320 -0.000 0.000 0.279 481 K C 0.592 176.691 176.600 -0.834 0.000 0.993 481 K CA 0.605 55.811 56.287 -1.802 0.000 1.030 481 K CB 0.561 32.342 32.500 -1.198 0.000 0.891 481 K HN 0.503 nan 8.250 nan 0.000 0.488 482 E N 1.493 121.407 120.200 -0.476 0.000 2.102 482 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 482 E C -0.298 176.267 176.600 -0.059 0.000 0.971 482 E CA 0.452 56.747 56.400 -0.174 0.000 0.821 482 E CB 0.495 30.167 29.700 -0.048 0.000 0.777 482 E HN 0.218 nan 8.360 nan 0.000 0.460 483 V N 1.819 121.698 119.914 -0.059 0.000 2.487 483 V HA 0.289 4.409 4.120 -0.000 0.000 0.298 483 V C -0.497 175.584 176.094 -0.021 0.000 1.028 483 V CA -0.648 61.648 62.300 -0.006 0.000 0.860 483 V CB 2.031 33.866 31.823 0.020 0.000 0.991 483 V HN -0.103 nan 8.190 nan 0.000 0.427 484 V N 3.852 123.765 119.914 -0.000 0.000 2.715 484 V HA 0.676 4.796 4.120 -0.000 0.000 0.310 484 V C -0.062 176.067 176.094 0.058 0.000 1.054 484 V CA -0.198 62.086 62.300 -0.026 0.000 0.928 484 V CB 2.833 34.584 31.823 -0.119 0.000 1.007 484 V HN 0.956 nan 8.190 nan 0.000 0.437 485 T N 2.808 117.388 114.554 0.044 0.000 2.841 485 T HA 0.253 4.603 4.350 -0.000 0.000 0.285 485 T C -0.795 173.947 174.700 0.071 0.000 0.991 485 T CA -0.396 61.744 62.100 0.066 0.000 0.966 485 T CB 1.150 70.042 68.868 0.040 0.000 0.962 485 T HN 0.695 nan 8.240 nan 0.000 0.438 486 D N 4.623 125.094 120.400 0.119 0.000 2.358 486 D HA 0.104 4.744 4.640 -0.000 0.000 0.258 486 D C -1.157 175.173 176.300 0.050 0.000 1.223 486 D CA -1.871 52.185 54.000 0.093 0.000 0.886 486 D CB 1.551 42.449 40.800 0.163 0.000 1.120 486 D HN 0.167 nan 8.370 nan 0.000 0.482 487 P HA -0.130 nan 4.420 nan 0.000 0.225 487 P C 1.198 178.511 177.300 0.022 0.000 1.156 487 P CA 0.756 63.873 63.100 0.028 0.000 0.787 487 P CB 0.377 32.095 31.700 0.029 0.000 0.802 488 Q N 0.853 120.666 119.800 0.021 0.000 2.123 488 Q HA -0.076 4.264 4.340 -0.000 0.000 0.199 488 Q C 1.655 177.664 176.000 0.015 0.000 0.966 488 Q CA 2.282 58.095 55.803 0.016 0.000 0.845 488 Q CB -0.179 28.568 28.738 0.014 0.000 0.907 488 Q HN 0.272 nan 8.270 nan 0.000 0.439 489 T N -5.530 109.037 114.554 0.022 0.000 2.975 489 T HA 0.375 4.725 4.350 -0.000 0.000 0.257 489 T C 1.260 175.960 174.700 0.001 0.000 1.003 489 T CA 0.635 62.742 62.100 0.013 0.000 0.932 489 T CB 0.911 69.791 68.868 0.019 0.000 1.087 489 T HN 0.489 nan 8.240 nan 0.000 0.512 490 G N 1.864 110.668 108.800 0.007 0.000 2.234 490 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 490 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 490 G C 0.055 174.938 174.900 -0.027 0.000 0.987 490 G CA 0.392 45.487 45.100 -0.007 0.000 0.625 490 G HN 0.870 nan 8.290 nan 0.000 0.532 491 K N 1.184 121.561 120.400 -0.039 0.000 2.448 491 K HA 0.412 4.731 4.320 -0.000 0.000 0.278 491 K C -0.136 176.363 176.600 -0.169 0.000 1.009 491 K CA 0.652 56.849 56.287 -0.150 0.000 0.995 491 K CB 0.230 32.604 32.500 -0.211 0.000 0.917 491 K HN 0.066 nan 8.250 nan 0.000 0.481 492 T N 3.499 117.887 114.554 -0.277 0.000 2.824 492 T HA 0.430 4.780 4.350 -0.000 0.000 0.280 492 T C -1.510 172.987 174.700 -0.339 0.000 0.995 492 T CA -0.328 61.669 62.100 -0.171 0.000 1.009 492 T CB 0.263 69.069 68.868 -0.104 0.000 0.955 492 T HN 0.407 nan 8.240 nan 0.000 0.452 493 Y N 1.100 121.365 120.300 -0.059 0.000 2.492 493 Y HA 0.338 4.888 4.550 -0.000 0.000 0.346 493 Y C 0.256 176.121 175.900 -0.059 0.000 0.997 493 Y CA -1.485 56.575 58.100 -0.066 0.000 1.025 493 Y CB 1.173 39.573 38.460 -0.099 0.000 1.263 493 Y HN 0.501 nan 8.280 nan 0.000 0.454 494 D N 1.596 122.069 120.400 0.121 0.000 2.506 494 D HA -0.098 4.542 4.640 -0.000 0.000 0.234 494 D C 0.778 177.126 176.300 0.079 0.000 1.143 494 D CA 0.431 54.486 54.000 0.091 0.000 0.871 494 D CB 0.451 41.300 40.800 0.081 0.000 1.190 494 D HN 0.563 nan 8.370 nan 0.000 0.459 495 F N 2.117 122.006 119.950 -0.102 0.000 2.115 495 F HA -0.305 4.222 4.527 -0.000 0.000 0.300 495 F C 2.158 177.878 175.800 -0.133 0.000 1.092 495 F CA 2.133 60.026 58.000 -0.179 0.000 1.245 495 F CB -0.006 38.843 39.000 -0.253 0.000 0.995 495 F HN 0.447 nan 8.300 nan 0.000 0.481 496 A N -0.584 122.304 122.820 0.114 0.000 1.972 496 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 496 A C 1.827 179.384 177.584 -0.045 0.000 1.169 496 A CA 2.010 54.077 52.037 0.050 0.000 0.635 496 A CB -0.700 18.354 19.000 0.090 0.000 0.810 496 A HN 0.464 nan 8.150 nan 0.000 0.446 497 D N -0.296 120.088 120.400 -0.027 0.000 2.346 497 D HA 0.276 4.916 4.640 -0.000 0.000 0.206 497 D C 0.983 177.211 176.300 -0.120 0.000 1.001 497 D CA 0.749 54.745 54.000 -0.006 0.000 0.871 497 D CB -0.230 40.635 40.800 0.109 0.000 0.943 497 D HN 0.416 nan 8.370 nan 0.000 0.518 498 A N 2.164 124.809 122.820 -0.292 0.000 2.483 498 A HA 0.296 4.616 4.320 -0.000 0.000 0.238 498 A C -2.266 174.971 177.584 -0.577 0.000 1.070 498 A CA -0.700 50.940 52.037 -0.662 0.000 0.770 498 A CB -0.155 18.462 19.000 -0.639 0.000 1.008 498 A HN -0.096 nan 8.150 nan 0.000 0.497 499 P HA 0.152 nan 4.420 nan 0.000 0.276 499 P C 1.117 178.221 177.300 -0.327 0.000 1.235 499 P CA 0.192 63.058 63.100 -0.391 0.000 0.772 499 P CB 0.722 32.211 31.700 -0.350 0.000 0.871 500 T N 0.512 114.925 114.554 -0.234 0.000 2.803 500 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 500 T C 1.631 176.239 174.700 -0.153 0.000 1.052 500 T CA 1.042 63.026 62.100 -0.194 0.000 1.136 500 T CB -0.532 68.261 68.868 -0.125 0.000 0.864 500 T HN 0.288 nan 8.240 nan 0.000 0.467 501 K N 0.217 120.536 120.400 -0.136 0.000 2.097 501 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 501 K C 2.234 178.773 176.600 -0.103 0.000 1.049 501 K CA 1.208 57.434 56.287 -0.101 0.000 0.933 501 K CB -0.355 32.093 32.500 -0.086 0.000 0.717 501 K HN 0.361 nan 8.250 nan 0.000 0.442 502 L N 1.594 122.725 121.223 -0.154 0.000 1.994 502 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 502 L C 2.022 178.825 176.870 -0.111 0.000 1.071 502 L CA 1.574 56.326 54.840 -0.147 0.000 0.745 502 L CB -0.548 41.369 42.059 -0.236 0.000 0.892 502 L HN 0.157 nan 8.230 nan 0.000 0.431 503 L N -0.744 120.378 121.223 -0.168 0.000 2.131 503 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 503 L C 2.247 179.235 176.870 0.196 0.000 1.092 503 L CA 1.732 56.532 54.840 -0.066 0.000 0.759 503 L CB -1.089 40.805 42.059 -0.275 0.000 0.903 503 L HN 0.549 nan 8.230 nan 0.000 0.435 504 T N -5.931 108.644 114.554 0.037 0.000 3.081 504 T HA 0.002 4.352 4.350 -0.000 0.000 0.250 504 T C 1.402 176.080 174.700 -0.037 0.000 1.100 504 T CA 0.778 62.877 62.100 -0.002 0.000 1.038 504 T CB -0.022 68.816 68.868 -0.049 0.000 0.962 504 T HN 0.408 nan 8.240 nan 0.000 0.516 505 T N -1.493 113.054 114.554 -0.012 0.000 2.969 505 T HA 0.377 4.727 4.350 -0.000 0.000 0.258 505 T C 0.226 174.923 174.700 -0.005 0.000 0.962 505 T CA -0.228 61.853 62.100 -0.032 0.000 0.903 505 T CB 0.071 68.918 68.868 -0.035 0.000 1.177 505 T HN 0.153 nan 8.240 nan 0.000 0.511 506 V N 3.108 123.047 119.914 0.041 0.000 2.333 506 V HA 0.347 4.467 4.120 -0.000 0.000 0.274 506 V C 1.504 177.677 176.094 0.133 0.000 1.028 506 V CA -0.543 61.789 62.300 0.054 0.000 0.851 506 V CB 1.197 33.031 31.823 0.019 0.000 1.000 506 V HN 0.412 nan 8.190 nan 0.000 0.456 507 Q N 2.967 122.827 119.800 0.100 0.000 2.135 507 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 507 Q C 1.635 177.733 176.000 0.163 0.000 0.981 507 Q CA 2.532 58.411 55.803 0.128 0.000 0.856 507 Q CB 0.091 28.859 28.738 0.049 0.000 0.902 507 Q HN 0.960 nan 8.270 nan 0.000 0.425 508 D N -0.893 119.569 120.400 0.104 0.000 2.221 508 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 508 D C 1.263 177.566 176.300 0.006 0.000 0.982 508 D CA 1.253 55.308 54.000 0.091 0.000 0.857 508 D CB -0.052 40.824 40.800 0.127 0.000 0.934 508 D HN 0.385 nan 8.370 nan 0.000 0.475 509 C N -0.587 118.652 119.300 -0.101 0.000 2.491 509 C HA 0.044 4.504 4.460 -0.000 0.000 0.277 509 C C 1.330 175.846 174.990 -0.791 0.000 1.455 509 C CA -0.102 58.658 59.018 -0.430 0.000 1.758 509 C CB -1.692 25.700 27.740 -0.580 0.000 1.745 509 C HN 0.545 nan 8.230 nan 0.000 0.558 510 W N -1.441 119.808 121.300 -0.085 0.000 2.868 510 W HA 0.367 5.026 4.660 -0.000 0.000 0.320 510 W C 0.521 177.042 176.519 0.004 0.000 1.076 510 W CA -0.176 57.119 57.345 -0.083 0.000 1.576 510 W CB -0.329 29.073 29.460 -0.097 0.000 1.030 510 W HN -0.252 nan 8.180 nan 0.000 0.558 511 V N 2.766 122.724 119.914 0.074 0.000 2.655 511 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 511 V C 0.487 176.532 176.094 -0.082 0.000 1.044 511 V CA 0.221 62.486 62.300 -0.058 0.000 1.095 511 V CB 0.602 32.316 31.823 -0.183 0.000 0.952 511 V HN -0.022 nan 8.190 nan 0.000 0.485 512 M N 6.099 125.664 119.600 -0.058 0.000 2.135 512 M HA 0.308 4.788 4.480 -0.000 0.000 0.345 512 M C -0.380 175.835 176.300 -0.141 0.000 1.340 512 M CA -0.024 55.177 55.300 -0.165 0.000 1.162 512 M CB -0.010 32.297 32.600 -0.487 0.000 1.570 512 M HN 0.617 nan 8.290 nan 0.000 0.454 513 H N 3.231 122.420 119.070 0.200 0.000 2.472 513 H HA 0.401 4.957 4.556 -0.000 0.000 0.335 513 H C -2.295 173.160 175.328 0.213 0.000 1.136 513 H CA -2.388 53.766 56.048 0.177 0.000 1.264 513 H CB 0.818 30.691 29.762 0.184 0.000 1.486 513 H HN 0.312 nan 8.280 nan 0.000 0.517 514 P HA 0.046 nan 4.420 nan 0.000 0.264 514 P C 0.954 178.345 177.300 0.153 0.000 1.193 514 P CA 1.051 64.251 63.100 0.167 0.000 0.763 514 P CB 0.477 32.230 31.700 0.088 0.000 0.810 515 G N 2.013 110.882 108.800 0.116 0.000 2.217 515 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 515 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 515 G C -0.050 174.886 174.900 0.060 0.000 0.990 515 G CA -0.335 44.807 45.100 0.070 0.000 0.627 515 G HN 0.553 nan 8.290 nan 0.000 0.522 516 E N 1.014 121.267 120.200 0.090 0.000 2.229 516 E HA 0.463 4.813 4.350 -0.000 0.000 0.283 516 E C 1.419 177.804 176.600 -0.358 0.000 1.030 516 E CA 0.219 56.631 56.400 0.020 0.000 0.836 516 E CB 1.008 30.858 29.700 0.251 0.000 1.068 516 E HN 0.393 nan 8.360 nan 0.000 0.401 517 S N 4.342 119.926 115.700 -0.193 0.000 2.496 517 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 517 S C 1.603 176.022 174.600 -0.301 0.000 0.996 517 S CA -0.314 57.734 58.200 -0.254 0.000 0.927 517 S CB -0.227 62.926 63.200 -0.077 0.000 0.774 517 S HN 0.812 nan 8.310 nan 0.000 0.524 518 W N 3.847 124.999 121.300 -0.246 0.000 2.355 518 W HA -0.194 4.465 4.660 -0.000 0.000 0.309 518 W C 1.829 178.376 176.519 0.048 0.000 1.206 518 W CA 1.377 58.668 57.345 -0.090 0.000 1.284 518 W CB -1.576 27.801 29.460 -0.139 0.000 1.145 518 W HN 0.662 nan 8.180 nan 0.000 0.502 519 H N -0.680 117.773 119.070 -1.029 0.000 2.462 519 H HA 0.252 4.808 4.556 -0.000 0.000 0.292 519 H C 2.108 177.063 175.328 -0.622 0.000 1.049 519 H CA 1.153 56.653 56.048 -0.914 0.000 1.334 519 H CB -1.176 27.695 29.762 -1.484 0.000 1.404 519 H HN 0.223 nan 8.280 nan 0.000 0.544 520 G N -0.373 108.111 108.800 -0.526 0.000 2.162 520 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.260 520 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.260 520 G C -0.371 174.429 174.900 -0.167 0.000 0.976 520 G CA 0.263 45.169 45.100 -0.325 0.000 0.655 520 G HN 0.352 nan 8.290 nan 0.000 0.533 521 F N 1.728 121.879 119.950 0.336 0.000 2.377 521 F HA 0.431 4.958 4.527 -0.000 0.000 0.360 521 F C 1.065 177.030 175.800 0.274 0.000 1.147 521 F CA -1.206 56.971 58.000 0.294 0.000 1.170 521 F CB 0.875 40.038 39.000 0.272 0.000 1.339 521 F HN -0.069 nan 8.300 nan 0.000 0.552 522 K N 3.840 124.456 120.400 0.360 0.000 2.472 522 K HA -0.074 4.246 4.320 -0.000 0.000 0.280 522 K C 0.198 176.962 176.600 0.273 0.000 1.028 522 K CA 0.533 56.964 56.287 0.241 0.000 1.045 522 K CB 0.175 32.776 32.500 0.168 0.000 0.902 522 K HN 0.642 nan 8.250 nan 0.000 0.478 523 D N 1.760 122.251 120.400 0.152 0.000 2.751 523 D HA -0.270 4.369 4.640 -0.000 0.000 0.233 523 D C 0.155 176.385 176.300 -0.117 0.000 1.149 523 D CA 0.801 54.839 54.000 0.062 0.000 0.682 523 D CB -1.206 39.647 40.800 0.087 0.000 1.068 523 D HN 0.577 nan 8.370 nan 0.000 0.429 524 I N 0.464 120.921 120.570 -0.188 0.000 2.648 524 I HA 0.081 4.251 4.170 -0.000 0.000 0.284 524 I C -1.724 174.170 176.117 -0.372 0.000 1.153 524 I CA -1.132 59.806 61.300 -0.603 0.000 1.426 524 I CB 0.790 38.630 38.000 -0.268 0.000 1.381 524 I HN -0.229 nan 8.210 nan 0.000 0.571 525 P HA 0.123 nan 4.420 nan 0.000 0.272 525 P C -1.270 176.003 177.300 -0.046 0.000 1.240 525 P CA -0.249 62.709 63.100 -0.237 0.000 0.791 525 P CB 0.433 31.920 31.700 -0.355 0.000 0.978 526 D N 0.414 120.836 120.400 0.038 0.000 2.312 526 D HA 0.105 4.745 4.640 -0.000 0.000 0.248 526 D C 0.642 177.060 176.300 0.196 0.000 1.086 526 D CA 0.156 54.245 54.000 0.148 0.000 0.948 526 D CB -0.043 40.848 40.800 0.151 0.000 1.162 526 D HN 0.463 nan 8.370 nan 0.000 0.446 527 N N 1.164 120.004 118.700 0.233 0.000 2.725 527 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 527 N C -0.255 175.421 175.510 0.278 0.000 1.103 527 N CA 1.255 54.443 53.050 0.229 0.000 0.707 527 N CB -1.350 37.249 38.487 0.186 0.000 1.043 527 N HN 0.638 nan 8.380 nan 0.000 0.553 528 W N -0.303 121.016 121.300 0.032 0.000 2.922 528 W HA 0.299 4.958 4.660 -0.000 0.000 0.260 528 W C 0.319 176.857 176.519 0.031 0.000 1.088 528 W CA 0.898 58.245 57.345 0.003 0.000 1.694 528 W CB -0.178 29.249 29.460 -0.055 0.000 1.064 528 W HN 0.275 nan 8.180 nan 0.000 0.611 529 S N 0.588 116.286 115.700 -0.003 0.000 2.599 529 S HA 0.718 5.188 4.470 -0.000 0.000 0.287 529 S C -0.652 173.972 174.600 0.039 0.000 1.105 529 S CA -0.833 57.311 58.200 -0.093 0.000 0.899 529 S CB 2.082 65.104 63.200 -0.298 0.000 1.100 529 S HN 0.186 nan 8.310 nan 0.000 0.482 530 M N 0.799 120.421 119.600 0.036 0.000 2.691 530 M HA 0.758 5.238 4.480 -0.000 0.000 0.293 530 M C -1.482 174.895 176.300 0.128 0.000 1.259 530 M CA -1.123 54.214 55.300 0.062 0.000 0.827 530 M CB 1.343 33.904 32.600 -0.066 0.000 1.753 530 M HN 0.569 nan 8.290 nan 0.000 0.465 531 L N 1.686 123.064 121.223 0.257 0.000 2.292 531 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 531 L C -0.736 176.229 176.870 0.158 0.000 1.065 531 L CA 0.268 55.258 54.840 0.249 0.000 0.806 531 L CB 0.934 43.189 42.059 0.326 0.000 1.175 531 L HN 0.725 nan 8.230 nan 0.000 0.431 532 D N 6.552 127.019 120.400 0.112 0.000 2.343 532 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 532 D C -1.826 174.376 176.300 -0.164 0.000 1.187 532 D CA -1.767 52.292 54.000 0.098 0.000 0.875 532 D CB 1.835 42.784 40.800 0.248 0.000 1.136 532 D HN 0.406 nan 8.370 nan 0.000 0.469 533 P HA -0.119 nan 4.420 nan 0.000 0.217 533 P C 1.451 178.564 177.300 -0.312 0.000 1.148 533 P CA 0.979 63.558 63.100 -0.868 0.000 0.828 533 P CB -0.108 30.889 31.700 -1.173 0.000 0.783 534 I N -4.311 116.175 120.570 -0.140 0.000 3.428 534 I HA 0.093 4.263 4.170 -0.000 0.000 0.286 534 I C 0.015 176.198 176.117 0.109 0.000 1.287 534 I CA 0.505 61.778 61.300 -0.046 0.000 1.396 534 I CB -0.272 37.718 38.000 -0.017 0.000 1.062 534 I HN -0.270 nan 8.210 nan 0.000 0.471 535 K N 3.172 123.642 120.400 0.116 0.000 2.291 535 K HA 0.379 4.699 4.320 -0.000 0.000 0.242 535 K C -0.644 176.091 176.600 0.225 0.000 1.098 535 K CA -0.420 55.976 56.287 0.182 0.000 1.036 535 K CB 1.510 34.099 32.500 0.148 0.000 1.655 535 K HN 0.056 nan 8.250 nan 0.000 0.432 536 V N 2.340 122.436 119.914 0.303 0.000 2.356 536 V HA 0.055 4.175 4.120 -0.000 0.000 0.258 536 V C 0.422 176.750 176.094 0.390 0.000 1.065 536 V CA -0.363 62.137 62.300 0.334 0.000 0.935 536 V CB 0.388 32.461 31.823 0.417 0.000 1.061 536 V HN 0.479 nan 8.190 nan 0.000 0.484 537 S N 6.286 122.181 115.700 0.325 0.000 2.513 537 S HA 0.571 5.041 4.470 -0.000 0.000 0.276 537 S C -0.155 174.568 174.600 0.205 0.000 1.254 537 S CA -0.441 57.909 58.200 0.251 0.000 1.053 537 S CB 0.907 64.248 63.200 0.236 0.000 0.958 537 S HN 0.437 nan 8.310 nan 0.000 0.491 538 I N 3.240 123.906 120.570 0.160 0.000 2.493 538 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 538 I C -0.379 175.750 176.117 0.021 0.000 0.998 538 I CA -0.779 60.581 61.300 0.100 0.000 1.137 538 I CB 1.290 39.394 38.000 0.174 0.000 1.310 538 I HN 0.495 nan 8.210 nan 0.000 0.445 539 L N 4.861 126.087 121.223 0.004 0.000 2.325 539 L HA 0.661 5.001 4.340 -0.000 0.000 0.281 539 L C 0.402 177.361 176.870 0.147 0.000 1.004 539 L CA -0.649 54.161 54.840 -0.049 0.000 0.823 539 L CB 1.713 43.608 42.059 -0.274 0.000 1.236 539 L HN 0.677 nan 8.230 nan 0.000 0.415 540 A N 5.415 128.390 122.820 0.257 0.000 2.304 540 A HA 0.721 5.041 4.320 -0.000 0.000 0.271 540 A C -2.333 175.295 177.584 0.073 0.000 1.091 540 A CA -1.281 50.907 52.037 0.251 0.000 0.812 540 A CB -0.077 19.111 19.000 0.314 0.000 1.056 540 A HN 0.447 nan 8.150 nan 0.000 0.489 541 P HA 0.388 nan 4.420 nan 0.000 0.274 541 P C 0.604 177.735 177.300 -0.282 0.000 1.231 541 P CA 0.939 63.954 63.100 -0.143 0.000 0.790 541 P CB 1.291 32.913 31.700 -0.131 0.000 0.951 542 G N 0.672 109.229 108.800 -0.405 0.000 3.033 542 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.208 542 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.208 542 G C -0.264 174.371 174.900 -0.441 0.000 1.006 542 G CA -0.188 44.674 45.100 -0.396 0.000 0.808 542 G HN 0.556 nan 8.290 nan 0.000 0.499 543 M N 3.229 122.400 119.600 -0.715 0.000 2.077 543 M HA 0.695 5.175 4.480 -0.000 0.000 0.348 543 M C 0.792 176.962 176.300 -0.216 0.000 1.252 543 M CA -0.989 54.056 55.300 -0.425 0.000 1.096 543 M CB 0.516 32.854 32.600 -0.436 0.000 1.568 543 M HN 0.395 nan 8.290 nan 0.000 0.456 544 G N 3.601 112.318 108.800 -0.138 0.000 2.594 544 G HA2 0.155 4.115 3.960 -0.000 0.000 0.243 544 G HA3 0.155 4.115 3.960 -0.000 0.000 0.243 544 G C 0.383 175.217 174.900 -0.109 0.000 1.229 544 G CA -0.446 44.602 45.100 -0.086 0.000 0.843 544 G HN 0.816 nan 8.290 nan 0.000 0.578 545 E N 0.518 120.680 120.200 -0.064 0.000 2.265 545 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 545 E C 1.752 178.302 176.600 -0.083 0.000 0.996 545 E CA 1.290 57.650 56.400 -0.067 0.000 0.832 545 E CB 0.094 29.781 29.700 -0.022 0.000 0.756 545 E HN 0.737 nan 8.360 nan 0.000 0.491 546 D N -0.263 120.096 120.400 -0.068 0.000 2.363 546 D HA -0.033 4.606 4.640 -0.000 0.000 0.220 546 D C 1.331 177.583 176.300 -0.081 0.000 0.994 546 D CA 0.912 54.875 54.000 -0.061 0.000 0.890 546 D CB -0.069 40.708 40.800 -0.039 0.000 0.906 546 D HN 0.203 nan 8.370 nan 0.000 0.530 547 G N -0.228 108.500 108.800 -0.119 0.000 2.141 547 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 547 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 547 G C -0.210 174.628 174.900 -0.103 0.000 0.982 547 G CA -0.045 44.970 45.100 -0.140 0.000 0.662 547 G HN 0.365 nan 8.290 nan 0.000 0.527 548 E N -0.191 119.961 120.200 -0.080 0.000 2.227 548 E HA 0.616 4.966 4.350 -0.000 0.000 0.268 548 E C 0.798 177.375 176.600 -0.038 0.000 0.907 548 E CA -0.893 55.476 56.400 -0.051 0.000 0.786 548 E CB 1.557 31.238 29.700 -0.033 0.000 1.191 548 E HN 0.294 nan 8.360 nan 0.000 0.411 549 L N 1.587 122.803 121.223 -0.011 0.000 2.483 549 L HA 0.051 4.390 4.340 -0.000 0.000 0.275 549 L C 1.199 178.137 176.870 0.112 0.000 1.220 549 L CA 0.425 55.295 54.840 0.051 0.000 0.833 549 L CB 0.135 42.204 42.059 0.016 0.000 1.102 549 L HN 0.352 nan 8.230 nan 0.000 0.490 550 E N 1.064 121.388 120.200 0.206 0.000 2.790 550 E HA 0.096 4.446 4.350 -0.000 0.000 0.256 550 E C 0.418 177.168 176.600 0.249 0.000 1.246 550 E CA -0.836 55.651 56.400 0.145 0.000 1.041 550 E CB 0.634 30.354 29.700 0.034 0.000 1.272 550 E HN 0.476 nan 8.360 nan 0.000 0.603 551 E N 0.042 120.317 120.200 0.124 0.000 2.216 551 E HA -0.024 4.325 4.350 -0.000 0.000 0.192 551 E C 0.637 177.305 176.600 0.113 0.000 0.988 551 E CA 0.894 57.380 56.400 0.143 0.000 0.834 551 E CB 0.109 29.850 29.700 0.069 0.000 0.772 551 E HN 0.569 nan 8.360 nan 0.000 0.479 552 T N -2.929 111.522 114.554 -0.171 0.000 2.865 552 T HA 0.781 5.131 4.350 -0.000 0.000 0.294 552 T C 0.157 174.183 174.700 -1.124 0.000 1.119 552 T CA -0.515 61.232 62.100 -0.589 0.000 1.007 552 T CB 2.501 71.207 68.868 -0.270 0.000 1.225 552 T HN 0.086 nan 8.240 nan 0.000 0.515 553 G N -0.756 107.238 108.800 -1.345 0.000 2.451 553 G HA2 0.526 4.486 3.960 -0.000 0.000 0.292 553 G HA3 0.526 4.486 3.960 -0.000 0.000 0.292 553 G C -2.075 172.524 174.900 -0.502 0.000 1.427 553 G CA -0.632 43.914 45.100 -0.923 0.000 0.792 553 G HN 0.962 nan 8.290 nan 0.000 0.498 554 V N 1.858 121.593 119.914 -0.299 0.000 2.349 554 V HA 0.420 4.540 4.120 -0.000 0.000 0.284 554 V C -2.272 173.823 176.094 0.001 0.000 1.014 554 V CA -1.393 60.688 62.300 -0.364 0.000 0.826 554 V CB 1.734 32.966 31.823 -0.984 0.000 1.009 554 V HN 0.533 nan 8.190 nan 0.000 0.431 555 P HA 0.206 nan 4.420 nan 0.000 0.271 555 P C 0.662 177.893 177.300 -0.115 0.000 1.220 555 P CA -0.036 63.014 63.100 -0.082 0.000 0.768 555 P CB 1.258 32.928 31.700 -0.049 0.000 0.848 556 A N 4.221 126.930 122.820 -0.185 0.000 2.015 556 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 556 A C 2.092 179.609 177.584 -0.112 0.000 1.163 556 A CA 1.736 53.698 52.037 -0.126 0.000 0.646 556 A CB -1.403 17.519 19.000 -0.130 0.000 0.806 556 A HN 0.529 nan 8.150 nan 0.000 0.448 557 A N -0.401 122.338 122.820 -0.134 0.000 1.940 557 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 557 A C 2.047 179.690 177.584 0.098 0.000 1.176 557 A CA 1.820 53.850 52.037 -0.012 0.000 0.631 557 A CB -0.520 18.479 19.000 -0.003 0.000 0.814 557 A HN 0.543 nan 8.150 nan 0.000 0.446 558 L N -0.369 120.850 121.223 -0.005 0.000 2.141 558 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 558 L C 2.345 179.336 176.870 0.201 0.000 1.094 558 L CA 1.544 56.463 54.840 0.131 0.000 0.763 558 L CB -0.331 41.818 42.059 0.150 0.000 0.908 558 L HN 0.185 nan 8.230 nan 0.000 0.437 559 V N -1.543 118.324 119.914 -0.078 0.000 2.535 559 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 559 V C 2.357 178.443 176.094 -0.013 0.000 1.045 559 V CA 1.710 63.796 62.300 -0.357 0.000 1.058 559 V CB -0.821 30.672 31.823 -0.549 0.000 0.689 559 V HN 0.435 nan 8.190 nan 0.000 0.461 560 T N 1.060 115.628 114.554 0.023 0.000 2.720 560 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 560 T C 2.091 176.883 174.700 0.153 0.000 1.037 560 T CA 1.825 63.963 62.100 0.064 0.000 1.144 560 T CB -0.458 68.427 68.868 0.028 0.000 0.864 560 T HN 0.559 nan 8.240 nan 0.000 0.444 561 A N 1.257 124.222 122.820 0.241 0.000 1.902 561 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 561 A C 2.136 179.904 177.584 0.306 0.000 1.181 561 A CA 1.288 53.480 52.037 0.258 0.000 0.623 561 A CB -1.083 18.141 19.000 0.374 0.000 0.818 561 A HN 0.768 nan 8.150 nan 0.000 0.443 562 W N 0.763 122.212 121.300 0.249 0.000 2.358 562 W HA -0.163 4.497 4.660 -0.000 0.000 0.303 562 W C 1.560 178.289 176.519 0.351 0.000 1.208 562 W CA 1.659 59.213 57.345 0.349 0.000 1.274 562 W CB -0.342 29.436 29.460 0.531 0.000 1.138 562 W HN 0.310 nan 8.180 nan 0.000 0.515 563 L N 0.737 122.143 121.223 0.305 0.000 2.046 563 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 563 L C 2.855 179.782 176.870 0.096 0.000 1.077 563 L CA 1.581 56.532 54.840 0.184 0.000 0.747 563 L CB -1.568 40.608 42.059 0.196 0.000 0.896 563 L HN 0.040 nan 8.230 nan 0.000 0.432 564 G N -0.350 108.494 108.800 0.073 0.000 2.446 564 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 564 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 564 G C 1.711 176.577 174.900 -0.056 0.000 1.168 564 G CA 0.441 45.550 45.100 0.016 0.000 0.771 564 G HN 0.248 nan 8.290 nan 0.000 0.551 565 R N -0.579 119.850 120.500 -0.119 0.000 2.170 565 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 565 R C 1.695 177.702 176.300 -0.488 0.000 1.145 565 R CA 1.339 57.250 56.100 -0.315 0.000 0.984 565 R CB -0.215 29.816 30.300 -0.447 0.000 0.869 565 R HN 0.533 nan 8.270 nan 0.000 0.455 566 H N -1.738 117.184 119.070 -0.247 0.000 2.549 566 H HA 0.222 4.778 4.556 -0.000 0.000 0.279 566 H C 0.567 175.835 175.328 -0.100 0.000 1.018 566 H CA 0.490 56.421 56.048 -0.196 0.000 1.175 566 H CB 1.051 30.669 29.762 -0.239 0.000 1.485 566 H HN 0.329 nan 8.280 nan 0.000 0.543 567 G N 1.262 110.054 108.800 -0.015 0.000 2.368 567 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.290 567 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.290 567 G C -0.400 174.516 174.900 0.027 0.000 1.098 567 G CA 0.071 45.169 45.100 -0.003 0.000 1.073 567 G HN 0.361 nan 8.290 nan 0.000 0.511 568 I N -0.399 120.201 120.570 0.049 0.000 2.534 568 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 568 I C -0.210 175.960 176.117 0.087 0.000 1.094 568 I CA -1.099 60.249 61.300 0.080 0.000 1.055 568 I CB 2.419 40.489 38.000 0.117 0.000 1.225 568 I HN 0.002 nan 8.210 nan 0.000 0.435 569 V N 6.835 126.791 119.914 0.069 0.000 2.376 569 V HA 0.447 4.566 4.120 -0.000 0.000 0.287 569 V C -2.033 174.059 176.094 -0.004 0.000 1.015 569 V CA -1.428 60.890 62.300 0.030 0.000 0.834 569 V CB 1.373 33.204 31.823 0.013 0.000 1.001 569 V HN 0.563 nan 8.190 nan 0.000 0.428 570 P HA 0.186 nan 4.420 nan 0.000 0.271 570 P C 0.902 178.103 177.300 -0.166 0.000 1.218 570 P CA -0.110 62.809 63.100 -0.303 0.000 0.780 570 P CB 0.999 32.341 31.700 -0.597 0.000 0.901 571 T N -0.286 114.187 114.554 -0.134 0.000 3.055 571 T HA 0.027 4.377 4.350 -0.000 0.000 0.265 571 T C 0.872 175.529 174.700 -0.071 0.000 1.111 571 T CA 0.506 62.571 62.100 -0.058 0.000 1.118 571 T CB 0.150 69.002 68.868 -0.027 0.000 0.909 571 T HN 0.462 nan 8.240 nan 0.000 0.501 572 R N -0.534 119.897 120.500 -0.115 0.000 2.710 572 R HA 0.553 4.893 4.340 -0.000 0.000 0.270 572 R C -1.901 174.329 176.300 -0.117 0.000 1.021 572 R CA -0.452 55.600 56.100 -0.080 0.000 0.889 572 R CB 2.064 32.337 30.300 -0.044 0.000 1.243 572 R HN 0.025 nan 8.270 nan 0.000 0.464 573 T N 1.951 116.460 114.554 -0.075 0.000 4.096 573 T HA 0.159 4.509 4.350 -0.000 0.000 0.336 573 T C -0.388 174.271 174.700 -0.069 0.000 0.820 573 T CA -0.483 61.560 62.100 -0.096 0.000 0.986 573 T CB 1.061 69.867 68.868 -0.104 0.000 1.077 573 T HN 0.792 nan 8.240 nan 0.000 0.466 574 T N -0.037 114.470 114.554 -0.079 0.000 3.133 574 T HA 0.329 4.679 4.350 -0.000 0.000 0.329 574 T C 0.973 175.565 174.700 -0.181 0.000 1.248 574 T CA 0.048 62.102 62.100 -0.076 0.000 0.933 574 T CB 0.341 69.190 68.868 -0.032 0.000 1.943 574 T HN 0.195 nan 8.240 nan 0.000 0.572 575 D N -0.235 120.023 120.400 -0.236 0.000 2.183 575 D HA 0.114 4.754 4.640 -0.000 0.000 0.203 575 D C 1.073 176.859 176.300 -0.856 0.000 0.969 575 D CA 1.124 54.777 54.000 -0.578 0.000 0.842 575 D CB -0.131 40.297 40.800 -0.621 0.000 0.957 575 D HN 0.511 nan 8.370 nan 0.000 0.484 576 F N -0.671 119.274 119.950 -0.009 0.000 2.876 576 F HA 0.189 4.716 4.527 -0.000 0.000 0.344 576 F C 0.843 176.590 175.800 -0.089 0.000 1.029 576 F CA -0.502 57.494 58.000 -0.006 0.000 1.154 576 F CB 0.365 39.415 39.000 0.084 0.000 1.040 576 F HN -0.264 nan 8.300 nan 0.000 0.576 577 Q N 2.290 122.087 119.800 -0.005 0.000 2.261 577 Q HA 0.533 4.873 4.340 -0.000 0.000 0.252 577 Q C -1.047 174.887 176.000 -0.109 0.000 0.915 577 Q CA -0.019 55.714 55.803 -0.117 0.000 0.915 577 Q CB 1.192 29.818 28.738 -0.186 0.000 1.204 577 Q HN 0.321 nan 8.270 nan 0.000 0.421 578 I N 4.300 124.801 120.570 -0.115 0.000 2.478 578 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 578 I C -0.570 175.398 176.117 -0.248 0.000 1.042 578 I CA -0.427 60.746 61.300 -0.212 0.000 1.067 578 I CB 2.007 39.880 38.000 -0.212 0.000 1.233 578 I HN 0.582 nan 8.210 nan 0.000 0.431 579 M N 6.307 125.704 119.600 -0.338 0.000 2.364 579 M HA 0.569 5.049 4.480 -0.000 0.000 0.334 579 M C -1.786 174.275 176.300 -0.397 0.000 1.107 579 M CA -0.470 54.713 55.300 -0.195 0.000 0.988 579 M CB 1.631 34.197 32.600 -0.056 0.000 1.673 579 M HN 0.369 nan 8.290 nan 0.000 0.441 580 F N 4.264 124.319 119.950 0.175 0.000 2.467 580 F HA 0.466 4.993 4.527 -0.000 0.000 0.336 580 F C -0.518 175.429 175.800 0.246 0.000 1.123 580 F CA -0.804 57.296 58.000 0.167 0.000 0.964 580 F CB 1.330 40.447 39.000 0.195 0.000 1.136 580 F HN 0.383 nan 8.300 nan 0.000 0.447 581 L N 3.994 125.382 121.223 0.275 0.000 2.305 581 L HA 0.484 4.824 4.340 -0.000 0.000 0.281 581 L C -1.155 175.837 176.870 0.205 0.000 1.085 581 L CA 0.094 55.081 54.840 0.245 0.000 0.813 581 L CB 0.241 42.385 42.059 0.141 0.000 1.157 581 L HN 0.441 nan 8.230 nan 0.000 0.436 582 F N 2.888 122.901 119.950 0.105 0.000 2.480 582 F HA 0.662 5.189 4.527 -0.000 0.000 0.329 582 F C 0.331 176.156 175.800 0.042 0.000 1.091 582 F CA -0.263 57.782 58.000 0.074 0.000 0.972 582 F CB 2.102 41.141 39.000 0.064 0.000 1.150 582 F HN 0.567 nan 8.300 nan 0.000 0.467 583 S N 1.795 117.586 115.700 0.153 0.000 2.685 583 S HA 0.406 4.876 4.470 -0.000 0.000 0.282 583 S C 0.191 174.830 174.600 0.064 0.000 1.159 583 S CA -0.998 57.255 58.200 0.089 0.000 0.833 583 S CB 1.548 64.809 63.200 0.103 0.000 1.151 583 S HN 0.689 nan 8.310 nan 0.000 0.485 584 M N 1.001 120.622 119.600 0.035 0.000 2.623 584 M HA 0.010 4.490 4.480 -0.000 0.000 0.258 584 M C 1.697 178.019 176.300 0.036 0.000 1.067 584 M CA 1.487 56.805 55.300 0.031 0.000 1.068 584 M CB -0.706 31.907 32.600 0.021 0.000 1.409 584 M HN 0.941 nan 8.290 nan 0.000 0.504 585 G N -0.550 108.273 108.800 0.040 0.000 2.887 585 G HA2 0.181 4.141 3.960 -0.000 0.000 0.211 585 G HA3 0.181 4.141 3.960 -0.000 0.000 0.211 585 G C 0.475 175.383 174.900 0.013 0.000 1.152 585 G CA -0.247 44.870 45.100 0.028 0.000 0.769 585 G HN 0.179 nan 8.290 nan 0.000 0.541 586 V N 2.108 122.030 119.914 0.013 0.000 2.872 586 V HA 0.336 4.456 4.120 -0.000 0.000 0.307 586 V C 0.979 177.083 176.094 0.017 0.000 1.072 586 V CA 0.423 62.717 62.300 -0.010 0.000 1.148 586 V CB 1.222 33.026 31.823 -0.031 0.000 0.954 586 V HN 0.419 nan 8.190 nan 0.000 0.490 587 T N 3.885 118.437 114.554 -0.004 0.000 2.925 587 T HA 0.551 4.901 4.350 -0.000 0.000 0.285 587 T C -0.132 174.575 174.700 0.012 0.000 1.021 587 T CA -0.988 61.114 62.100 0.004 0.000 1.042 587 T CB 0.945 69.802 68.868 -0.018 0.000 1.037 587 T HN 0.569 nan 8.240 nan 0.000 0.481 588 R N 0.843 121.359 120.500 0.026 0.000 2.570 588 R HA 0.388 4.728 4.340 -0.000 0.000 0.277 588 R C 1.565 177.836 176.300 -0.049 0.000 1.039 588 R CA 1.002 57.131 56.100 0.049 0.000 1.065 588 R CB -0.075 30.259 30.300 0.057 0.000 0.964 588 R HN 1.185 nan 8.270 nan 0.000 0.428 589 G N 2.120 110.847 108.800 -0.123 0.000 2.205 589 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.261 589 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.261 589 G C 0.994 175.501 174.900 -0.654 0.000 0.980 589 G CA 0.608 45.395 45.100 -0.522 0.000 0.632 589 G HN 0.554 nan 8.290 nan 0.000 0.533 590 K N 1.270 121.468 120.400 -0.336 0.000 2.147 590 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 590 K C 2.330 178.769 176.600 -0.269 0.000 1.049 590 K CA 2.065 58.200 56.287 -0.253 0.000 0.936 590 K CB -0.740 31.670 32.500 -0.149 0.000 0.722 590 K HN 0.833 nan 8.250 nan 0.000 0.446 591 W N -0.349 120.868 121.300 -0.137 0.000 2.359 591 W HA -0.082 4.578 4.660 -0.000 0.000 0.275 591 W C 1.408 177.838 176.519 -0.149 0.000 1.217 591 W CA 0.643 57.826 57.345 -0.271 0.000 1.196 591 W CB -1.149 28.244 29.460 -0.112 0.000 1.129 591 W HN 0.160 nan 8.180 nan 0.000 0.566 592 G N 0.916 109.415 108.800 -0.502 0.000 2.462 592 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 592 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 592 G C 1.486 176.354 174.900 -0.054 0.000 1.121 592 G CA 1.671 46.589 45.100 -0.302 0.000 0.758 592 G HN 0.395 nan 8.290 nan 0.000 0.559 593 T N 0.299 114.789 114.554 -0.106 0.000 2.857 593 T HA 0.048 4.398 4.350 -0.000 0.000 0.266 593 T C 2.473 177.162 174.700 -0.018 0.000 1.048 593 T CA 0.750 62.819 62.100 -0.053 0.000 1.139 593 T CB -0.198 68.624 68.868 -0.076 0.000 0.874 593 T HN 0.226 nan 8.240 nan 0.000 0.455 594 L N 0.712 121.882 121.223 -0.087 0.000 1.970 594 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 594 L C 2.715 179.650 176.870 0.109 0.000 1.071 594 L CA 1.352 56.112 54.840 -0.132 0.000 0.751 594 L CB -1.052 40.670 42.059 -0.562 0.000 0.889 594 L HN 0.151 nan 8.230 nan 0.000 0.432 595 V N 0.406 120.505 119.914 0.308 0.000 2.250 595 V HA -0.367 3.753 4.120 -0.000 0.000 0.250 595 V C 2.453 178.735 176.094 0.314 0.000 1.060 595 V CA 2.320 64.877 62.300 0.428 0.000 1.030 595 V CB -0.882 31.268 31.823 0.546 0.000 0.643 595 V HN 0.582 nan 8.190 nan 0.000 0.445 596 N N 0.078 118.908 118.700 0.216 0.000 2.104 596 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 596 N C 1.777 177.411 175.510 0.205 0.000 1.024 596 N CA 2.387 55.544 53.050 0.177 0.000 0.853 596 N CB -0.150 38.400 38.487 0.104 0.000 1.008 596 N HN 0.569 nan 8.380 nan 0.000 0.424 597 T N 1.560 116.222 114.554 0.181 0.000 2.896 597 T HA 0.084 4.434 4.350 -0.000 0.000 0.263 597 T C 2.095 177.039 174.700 0.406 0.000 1.050 597 T CA 0.345 62.589 62.100 0.241 0.000 1.140 597 T CB -0.016 68.905 68.868 0.088 0.000 0.877 597 T HN 0.159 nan 8.240 nan 0.000 0.457 598 L N 0.460 121.848 121.223 0.274 0.000 2.131 598 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 598 L C 2.760 179.892 176.870 0.436 0.000 1.092 598 L CA 0.808 55.786 54.840 0.231 0.000 0.759 598 L CB -0.696 41.354 42.059 -0.015 0.000 0.903 598 L HN 0.377 nan 8.230 nan 0.000 0.435 599 C N -0.557 119.000 119.300 0.427 0.000 2.466 599 C HA -0.123 4.337 4.460 -0.000 0.000 0.278 599 C C 3.244 178.385 174.990 0.252 0.000 1.288 599 C CA 1.166 60.413 59.018 0.380 0.000 1.722 599 C CB -0.703 27.219 27.740 0.304 0.000 2.017 599 C HN 0.691 nan 8.230 nan 0.000 0.488 600 S N 0.412 116.276 115.700 0.274 0.000 2.402 600 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 600 S C 1.650 176.262 174.600 0.019 0.000 1.021 600 S CA 1.215 59.553 58.200 0.229 0.000 0.974 600 S CB -0.898 62.568 63.200 0.443 0.000 0.800 600 S HN 0.586 nan 8.310 nan 0.000 0.484 601 F N 3.031 122.850 119.950 -0.218 0.000 2.046 601 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 601 F C 2.572 178.308 175.800 -0.107 0.000 1.123 601 F CA 2.006 59.652 58.000 -0.590 0.000 1.199 601 F CB -0.343 38.410 39.000 -0.411 0.000 0.972 601 F HN 0.046 nan 8.300 nan 0.000 0.474 602 K N 0.754 121.272 120.400 0.196 0.000 2.059 602 K HA -0.275 4.045 4.320 -0.000 0.000 0.212 602 K C 2.404 178.978 176.600 -0.043 0.000 1.050 602 K CA 1.893 58.212 56.287 0.054 0.000 0.927 602 K CB -0.606 31.776 32.500 -0.198 0.000 0.714 602 K HN 0.306 nan 8.250 nan 0.000 0.447 603 R N -0.527 119.922 120.500 -0.085 0.000 2.083 603 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 603 R C 2.408 178.593 176.300 -0.191 0.000 1.137 603 R CA 1.688 57.707 56.100 -0.134 0.000 0.951 603 R CB -0.227 29.970 30.300 -0.171 0.000 0.851 603 R HN 0.377 nan 8.270 nan 0.000 0.434 604 H N -1.451 117.497 119.070 -0.204 0.000 2.395 604 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 604 H C 1.731 176.908 175.328 -0.252 0.000 1.070 604 H CA 1.416 57.320 56.048 -0.240 0.000 1.356 604 H CB -0.351 29.179 29.762 -0.387 0.000 1.401 604 H HN 0.288 nan 8.280 nan 0.000 0.524 605 Y N 2.127 122.187 120.300 -0.400 0.000 2.128 605 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 605 Y C 1.872 177.641 175.900 -0.218 0.000 1.154 605 Y CA 1.792 59.663 58.100 -0.382 0.000 1.149 605 Y CB 0.014 38.212 38.460 -0.435 0.000 0.976 605 Y HN 0.121 nan 8.280 nan 0.000 0.505 606 D N -0.638 119.768 120.400 0.009 0.000 2.183 606 D HA -0.050 4.590 4.640 -0.000 0.000 0.203 606 D C 2.034 178.343 176.300 0.016 0.000 0.969 606 D CA 1.192 55.202 54.000 0.018 0.000 0.842 606 D CB -0.421 40.434 40.800 0.092 0.000 0.957 606 D HN 0.419 nan 8.370 nan 0.000 0.484 607 A N 0.653 123.473 122.820 0.001 0.000 2.206 607 A HA -0.071 4.248 4.320 -0.000 0.000 0.211 607 A C 0.886 178.491 177.584 0.035 0.000 1.158 607 A CA 0.438 52.490 52.037 0.024 0.000 0.761 607 A CB -0.497 18.518 19.000 0.024 0.000 0.801 607 A HN 0.199 nan 8.150 nan 0.000 0.473 608 N N 0.071 118.773 118.700 0.004 0.000 2.714 608 N HA -0.135 4.605 4.740 -0.000 0.000 0.252 608 N C -0.439 175.090 175.510 0.031 0.000 1.014 608 N CA 1.089 54.139 53.050 -0.000 0.000 0.735 608 N CB -2.038 36.460 38.487 0.018 0.000 0.924 608 N HN 0.368 nan 8.380 nan 0.000 0.540 609 T N 1.657 116.250 114.554 0.065 0.000 2.908 609 T HA 0.146 4.496 4.350 -0.000 0.000 0.301 609 T C -2.217 172.518 174.700 0.059 0.000 1.019 609 T CA -0.338 61.822 62.100 0.100 0.000 1.152 609 T CB 0.622 69.609 68.868 0.199 0.000 0.966 609 T HN 0.188 nan 8.240 nan 0.000 0.540 610 P HA 0.089 nan 4.420 nan 0.000 0.264 610 P C 0.896 178.239 177.300 0.071 0.000 1.193 610 P CA -0.023 63.117 63.100 0.066 0.000 0.763 610 P CB 0.349 32.089 31.700 0.066 0.000 0.810 611 L N 2.966 124.242 121.223 0.088 0.000 2.129 611 L HA -0.285 4.054 4.340 -0.000 0.000 0.212 611 L C 2.370 179.297 176.870 0.094 0.000 1.087 611 L CA 1.891 56.793 54.840 0.102 0.000 0.757 611 L CB -0.956 41.177 42.059 0.123 0.000 0.896 611 L HN 0.428 nan 8.230 nan 0.000 0.434 612 A N -0.277 122.596 122.820 0.089 0.000 1.948 612 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 612 A C 2.236 179.857 177.584 0.062 0.000 1.177 612 A CA 2.037 54.119 52.037 0.075 0.000 0.636 612 A CB -0.384 18.657 19.000 0.069 0.000 0.815 612 A HN 0.564 nan 8.150 nan 0.000 0.449 613 Q N -1.040 118.798 119.800 0.062 0.000 2.204 613 Q HA 0.024 4.364 4.340 -0.000 0.000 0.198 613 Q C 2.106 178.138 176.000 0.053 0.000 0.946 613 Q CA 1.375 57.212 55.803 0.055 0.000 0.859 613 Q CB -0.108 28.667 28.738 0.062 0.000 0.946 613 Q HN 0.723 nan 8.270 nan 0.000 0.474 614 V N -3.076 116.877 119.914 0.064 0.000 2.992 614 V HA 0.210 4.330 4.120 -0.000 0.000 0.250 614 V C 0.999 177.204 176.094 0.186 0.000 1.090 614 V CA 0.568 62.950 62.300 0.137 0.000 1.101 614 V CB 0.166 32.059 31.823 0.117 0.000 0.743 614 V HN 0.152 nan 8.190 nan 0.000 0.468 615 M N 0.970 120.650 119.600 0.135 0.000 2.389 615 M HA 0.408 4.888 4.480 -0.000 0.000 0.206 615 M C -2.336 174.002 176.300 0.063 0.000 0.976 615 M CA -1.247 54.117 55.300 0.106 0.000 0.648 615 M CB 2.045 34.729 32.600 0.140 0.000 1.474 615 M HN 0.072 nan 8.290 nan 0.000 0.398 616 P HA -0.069 nan 4.420 nan 0.000 0.216 616 P C 0.825 178.141 177.300 0.028 0.000 1.153 616 P CA 1.307 64.428 63.100 0.035 0.000 0.844 616 P CB 0.341 32.050 31.700 0.016 0.000 0.787 617 E N -0.311 119.893 120.200 0.006 0.000 2.086 617 E HA -0.203 4.147 4.350 -0.000 0.000 0.200 617 E C 1.917 178.530 176.600 0.021 0.000 1.012 617 E CA 1.059 57.457 56.400 -0.003 0.000 0.812 617 E CB -1.281 28.405 29.700 -0.023 0.000 0.743 617 E HN 0.101 nan 8.360 nan 0.000 0.453 618 L N -0.223 121.021 121.223 0.035 0.000 2.083 618 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 618 L C 2.022 179.016 176.870 0.207 0.000 1.083 618 L CA 1.229 56.120 54.840 0.084 0.000 0.752 618 L CB -0.076 41.952 42.059 -0.052 0.000 0.899 618 L HN 0.034 nan 8.230 nan 0.000 0.433 619 V N -0.484 119.525 119.914 0.157 0.000 2.407 619 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 619 V C 2.574 178.748 176.094 0.132 0.000 1.041 619 V CA 1.572 63.992 62.300 0.200 0.000 1.040 619 V CB -0.738 31.177 31.823 0.153 0.000 0.671 619 V HN 0.537 nan 8.190 nan 0.000 0.455 620 E N 0.709 120.950 120.200 0.068 0.000 2.097 620 E HA -0.324 4.026 4.350 -0.000 0.000 0.196 620 E C 2.165 178.751 176.600 -0.024 0.000 1.000 620 E CA 2.173 58.584 56.400 0.018 0.000 0.804 620 E CB -0.117 29.582 29.700 -0.002 0.000 0.740 620 E HN 0.722 nan 8.360 nan 0.000 0.454 621 Q N -1.453 118.318 119.800 -0.049 0.000 2.212 621 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 621 Q C 0.066 175.797 176.000 -0.449 0.000 0.950 621 Q CA 0.600 56.245 55.803 -0.263 0.000 0.863 621 Q CB 0.348 28.897 28.738 -0.316 0.000 0.944 621 Q HN 0.255 nan 8.270 nan 0.000 0.465 622 Y N -0.956 119.409 120.300 0.108 0.000 2.470 622 Y HA 0.312 4.862 4.550 -0.000 0.000 0.352 622 Y C -2.056 173.896 175.900 0.085 0.000 0.967 622 Y CA -2.065 56.092 58.100 0.094 0.000 1.121 622 Y CB 1.243 39.793 38.460 0.150 0.000 1.149 622 Y HN 0.181 nan 8.280 nan 0.000 0.641 623 P HA -0.120 nan 4.420 nan 0.000 0.219 623 P C 0.852 178.193 177.300 0.069 0.000 1.146 623 P CA 1.541 64.703 63.100 0.104 0.000 0.808 623 P CB 0.523 32.254 31.700 0.052 0.000 0.779 624 D N -1.752 118.671 120.400 0.038 0.000 2.183 624 D HA -0.063 4.577 4.640 -0.000 0.000 0.203 624 D C 1.752 178.006 176.300 -0.076 0.000 0.969 624 D CA 1.294 55.287 54.000 -0.011 0.000 0.842 624 D CB -0.739 40.050 40.800 -0.019 0.000 0.957 624 D HN 0.140 nan 8.370 nan 0.000 0.484 625 T N -0.758 113.690 114.554 -0.177 0.000 2.937 625 T HA -0.067 4.283 4.350 -0.000 0.000 0.260 625 T C 0.997 175.447 174.700 -0.416 0.000 1.051 625 T CA 0.776 62.600 62.100 -0.460 0.000 1.141 625 T CB -0.064 68.226 68.868 -0.963 0.000 0.879 625 T HN 0.181 nan 8.240 nan 0.000 0.459 626 Y N 0.688 121.054 120.300 0.110 0.000 2.500 626 Y HA 0.665 5.214 4.550 -0.000 0.000 0.246 626 Y C 1.074 177.033 175.900 0.098 0.000 1.146 626 Y CA -1.538 56.635 58.100 0.122 0.000 1.230 626 Y CB -0.208 38.352 38.460 0.166 0.000 1.214 626 Y HN 0.111 nan 8.280 nan 0.000 0.526 627 A N 0.484 123.408 122.820 0.174 0.000 2.386 627 A HA 0.382 4.701 4.320 -0.000 0.000 0.248 627 A C 0.707 178.350 177.584 0.099 0.000 1.082 627 A CA 0.140 52.252 52.037 0.124 0.000 0.789 627 A CB -0.146 18.905 19.000 0.085 0.000 1.025 627 A HN 0.586 nan 8.150 nan 0.000 0.490 628 N N -1.964 116.786 118.700 0.083 0.000 2.863 628 N HA -0.144 4.596 4.740 -0.000 0.000 0.245 628 N C -0.491 175.063 175.510 0.074 0.000 1.001 628 N CA 1.808 54.898 53.050 0.066 0.000 0.901 628 N CB -1.443 37.074 38.487 0.050 0.000 1.124 628 N HN 0.716 nan 8.380 nan 0.000 0.582 629 M N 0.158 119.820 119.600 0.102 0.000 2.311 629 M HA 0.502 4.982 4.480 -0.000 0.000 0.325 629 M C 0.768 177.127 176.300 0.098 0.000 1.061 629 M CA -0.599 54.767 55.300 0.111 0.000 0.957 629 M CB 1.829 34.535 32.600 0.178 0.000 1.646 629 M HN 0.166 nan 8.290 nan 0.000 0.434 630 G N 1.512 110.351 108.800 0.064 0.000 2.477 630 G HA2 0.417 4.377 3.960 -0.000 0.000 0.304 630 G HA3 0.417 4.377 3.960 -0.000 0.000 0.304 630 G C 0.553 175.479 174.900 0.042 0.000 1.175 630 G CA -0.602 44.526 45.100 0.048 0.000 0.907 630 G HN 0.924 nan 8.290 nan 0.000 0.509 631 I N -0.726 119.860 120.570 0.027 0.000 2.335 631 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 631 I C 2.274 178.358 176.117 -0.055 0.000 1.129 631 I CA 1.327 62.647 61.300 0.033 0.000 1.402 631 I CB 0.080 38.093 38.000 0.021 0.000 1.069 631 I HN 0.671 nan 8.210 nan 0.000 0.424 632 H N 1.115 119.941 119.070 -0.406 0.000 2.372 632 H HA -0.124 4.432 4.556 -0.000 0.000 0.301 632 H C 1.746 176.894 175.328 -0.302 0.000 1.065 632 H CA 1.632 57.230 56.048 -0.750 0.000 1.364 632 H CB -0.274 29.026 29.762 -0.770 0.000 1.406 632 H HN 0.349 nan 8.280 nan 0.000 0.521 633 D N 0.377 120.698 120.400 -0.131 0.000 2.133 633 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 633 D C 2.350 178.678 176.300 0.045 0.000 0.997 633 D CA 1.033 54.992 54.000 -0.068 0.000 0.840 633 D CB -0.466 40.330 40.800 -0.008 0.000 0.947 633 D HN 0.305 nan 8.370 nan 0.000 0.452 634 L N 1.023 122.302 121.223 0.095 0.000 2.056 634 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 634 L C 2.255 179.201 176.870 0.126 0.000 1.078 634 L CA 2.049 56.978 54.840 0.150 0.000 0.749 634 L CB -1.012 41.138 42.059 0.152 0.000 0.901 634 L HN 0.052 nan 8.230 nan 0.000 0.433 635 G N -1.116 107.799 108.800 0.192 0.000 2.418 635 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 635 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 635 G C 1.260 176.331 174.900 0.286 0.000 1.158 635 G CA 0.861 46.144 45.100 0.306 0.000 0.771 635 G HN 0.411 nan 8.290 nan 0.000 0.545 636 D N 0.340 120.869 120.400 0.216 0.000 2.092 636 D HA -0.088 4.552 4.640 -0.000 0.000 0.193 636 D C 2.774 179.212 176.300 0.230 0.000 0.994 636 D CA 1.616 55.722 54.000 0.177 0.000 0.828 636 D CB -0.745 40.062 40.800 0.012 0.000 0.963 636 D HN 0.219 nan 8.370 nan 0.000 0.450 637 T N 0.689 115.366 114.554 0.205 0.000 2.684 637 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 637 T C 2.125 177.041 174.700 0.361 0.000 1.036 637 T CA 1.095 63.362 62.100 0.279 0.000 1.148 637 T CB -0.198 68.860 68.868 0.317 0.000 0.863 637 T HN 0.154 nan 8.240 nan 0.000 0.436 638 M N -0.278 119.421 119.600 0.165 0.000 2.159 638 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 638 M C 2.052 178.538 176.300 0.311 0.000 1.063 638 M CA 1.520 56.796 55.300 -0.040 0.000 1.110 638 M CB -0.374 32.035 32.600 -0.319 0.000 1.374 638 M HN 0.205 nan 8.290 nan 0.000 0.411 639 F N 0.920 120.981 119.950 0.186 0.000 2.206 639 F HA -0.047 4.479 4.527 -0.000 0.000 0.298 639 F C 2.380 178.311 175.800 0.219 0.000 1.090 639 F CA 1.214 59.339 58.000 0.209 0.000 1.323 639 F CB -0.348 38.758 39.000 0.176 0.000 1.028 639 F HN 0.049 nan 8.300 nan 0.000 0.492 640 A N -0.169 122.822 122.820 0.286 0.000 1.917 640 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 640 A C 2.122 179.784 177.584 0.129 0.000 1.182 640 A CA 1.876 54.017 52.037 0.173 0.000 0.633 640 A CB -1.926 17.192 19.000 0.197 0.000 0.819 640 A HN 0.731 nan 8.150 nan 0.000 0.448 641 W N 0.527 121.894 121.300 0.111 0.000 2.338 641 W HA -0.172 4.487 4.660 -0.000 0.000 0.304 641 W C 1.828 178.385 176.519 0.062 0.000 1.212 641 W CA 2.033 59.452 57.345 0.123 0.000 1.264 641 W CB -0.241 29.444 29.460 0.376 0.000 1.142 641 W HN 0.284 nan 8.180 nan 0.000 0.512 642 L N 0.464 121.835 121.223 0.247 0.000 2.093 642 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 642 L C 2.625 179.337 176.870 -0.263 0.000 1.085 642 L CA 1.138 55.975 54.840 -0.005 0.000 0.755 642 L CB -0.911 41.114 42.059 -0.058 0.000 0.904 642 L HN -0.156 nan 8.230 nan 0.000 0.435 643 K N 0.153 120.358 120.400 -0.325 0.000 2.097 643 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 643 K C 1.975 178.444 176.600 -0.219 0.000 1.050 643 K CA 1.246 57.373 56.287 -0.267 0.000 0.938 643 K CB -0.093 32.285 32.500 -0.203 0.000 0.718 643 K HN 0.386 nan 8.250 nan 0.000 0.442 644 E N 0.666 120.710 120.200 -0.260 0.000 2.072 644 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 644 E C 1.042 177.424 176.600 -0.363 0.000 0.982 644 E CA 1.116 57.349 56.400 -0.277 0.000 0.803 644 E CB 0.163 29.692 29.700 -0.286 0.000 0.755 644 E HN 0.268 nan 8.360 nan 0.000 0.453 645 N N 0.436 118.788 118.700 -0.580 0.000 2.322 645 N HA -0.027 4.713 4.740 -0.000 0.000 0.181 645 N C -0.414 174.872 175.510 -0.372 0.000 1.088 645 N CA 0.114 52.788 53.050 -0.628 0.000 0.885 645 N CB 0.375 38.068 38.487 -1.323 0.000 1.013 645 N HN 0.032 nan 8.380 nan 0.000 0.472 646 N N 0.886 119.414 118.700 -0.286 0.000 2.650 646 N HA -0.119 4.621 4.740 -0.000 0.000 0.272 646 N C -1.896 173.575 175.510 -0.065 0.000 1.058 646 N CA 0.181 53.146 53.050 -0.142 0.000 0.765 646 N CB 0.065 38.486 38.487 -0.110 0.000 0.902 646 N HN 0.236 nan 8.380 nan 0.000 0.551 647 P HA -0.054 nan 4.420 nan 0.000 0.221 647 P C 1.547 178.897 177.300 0.083 0.000 1.150 647 P CA 1.512 64.693 63.100 0.135 0.000 0.800 647 P CB -0.214 31.643 31.700 0.262 0.000 0.787 648 G N 0.946 109.766 108.800 0.034 0.000 2.476 648 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 648 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 648 G C 1.810 176.679 174.900 -0.052 0.000 1.164 648 G CA 1.247 46.340 45.100 -0.010 0.000 0.768 648 G HN 0.371 nan 8.290 nan 0.000 0.560 649 A N 0.590 123.385 122.820 -0.042 0.000 1.873 649 A HA 0.007 4.326 4.320 -0.000 0.000 0.215 649 A C 2.511 180.062 177.584 -0.056 0.000 1.186 649 A CA 1.609 53.617 52.037 -0.048 0.000 0.616 649 A CB -0.346 18.629 19.000 -0.042 0.000 0.823 649 A HN 0.212 nan 8.150 nan 0.000 0.442 650 R N -0.472 120.010 120.500 -0.031 0.000 2.103 650 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 650 R C 2.146 178.319 176.300 -0.211 0.000 1.142 650 R CA 1.494 57.591 56.100 -0.006 0.000 0.960 650 R CB -1.410 28.990 30.300 0.166 0.000 0.858 650 R HN 0.649 nan 8.270 nan 0.000 0.439 651 L N 1.295 122.270 121.223 -0.413 0.000 2.017 651 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 651 L C 1.831 178.546 176.870 -0.259 0.000 1.073 651 L CA 1.563 55.965 54.840 -0.730 0.000 0.745 651 L CB -0.306 41.430 42.059 -0.539 0.000 0.894 651 L HN 0.141 nan 8.230 nan 0.000 0.432 652 N N 0.141 118.752 118.700 -0.149 0.000 2.084 652 N HA -0.232 4.508 4.740 -0.000 0.000 0.190 652 N C 1.641 177.131 175.510 -0.033 0.000 1.030 652 N CA 1.671 54.685 53.050 -0.060 0.000 0.849 652 N CB -0.327 38.128 38.487 -0.054 0.000 1.012 652 N HN 0.469 nan 8.380 nan 0.000 0.423 653 E N 0.835 121.004 120.200 -0.053 0.000 2.065 653 E HA -0.188 4.162 4.350 -0.000 0.000 0.201 653 E C 1.833 178.409 176.600 -0.039 0.000 1.016 653 E CA 1.579 57.958 56.400 -0.035 0.000 0.818 653 E CB -0.150 29.536 29.700 -0.024 0.000 0.749 653 E HN 0.397 nan 8.360 nan 0.000 0.453 654 A N -0.278 122.503 122.820 -0.065 0.000 2.066 654 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 654 A C 1.427 178.864 177.584 -0.245 0.000 1.157 654 A CA 1.001 52.967 52.037 -0.119 0.000 0.670 654 A CB -0.261 18.679 19.000 -0.100 0.000 0.804 654 A HN 0.285 nan 8.150 nan 0.000 0.453 655 Y N -1.034 119.196 120.300 -0.118 0.000 2.458 655 Y HA 0.117 4.666 4.550 -0.000 0.000 0.254 655 Y C 2.622 178.478 175.900 -0.072 0.000 1.120 655 Y CA 0.488 58.532 58.100 -0.094 0.000 1.282 655 Y CB 0.134 38.527 38.460 -0.111 0.000 1.109 655 Y HN 0.237 nan 8.280 nan 0.000 0.526 656 S N -0.052 115.670 115.700 0.037 0.000 2.380 656 S HA -0.086 4.384 4.470 -0.000 0.000 0.213 656 S C 1.375 175.970 174.600 -0.008 0.000 1.037 656 S CA 1.155 59.360 58.200 0.008 0.000 1.034 656 S CB -0.978 62.219 63.200 -0.005 0.000 1.022 656 S HN 0.426 nan 8.310 nan 0.000 0.418 657 G N 1.374 110.160 108.800 -0.022 0.000 2.355 657 G HA2 0.482 4.442 3.960 -0.000 0.000 0.276 657 G HA3 0.482 4.442 3.960 -0.000 0.000 0.276 657 G C -0.562 174.310 174.900 -0.047 0.000 1.198 657 G CA -0.496 44.589 45.100 -0.025 0.000 0.876 657 G HN 0.365 nan 8.290 nan 0.000 0.478 658 L N 3.625 124.828 121.223 -0.033 0.000 2.455 658 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 658 L C -1.480 175.356 176.870 -0.055 0.000 1.174 658 L CA -1.320 53.489 54.840 -0.051 0.000 0.869 658 L CB 0.702 42.764 42.059 0.004 0.000 1.130 658 L HN 0.364 nan 8.230 nan 0.000 0.474 659 P HA 0.045 nan 4.420 nan 0.000 0.269 659 P C -0.680 176.587 177.300 -0.054 0.000 1.209 659 P CA -0.442 62.603 63.100 -0.092 0.000 0.776 659 P CB 0.438 32.042 31.700 -0.160 0.000 0.876 660 V N 1.904 121.795 119.914 -0.038 0.000 2.493 660 V HA 0.167 4.286 4.120 -0.000 0.000 0.292 660 V C 0.928 177.013 176.094 -0.016 0.000 1.016 660 V CA -0.157 62.134 62.300 -0.015 0.000 1.097 660 V CB -0.363 31.456 31.823 -0.007 0.000 0.947 660 V HN 0.701 nan 8.190 nan 0.000 0.479 661 A N 4.036 126.864 122.820 0.014 0.000 2.410 661 A HA 0.303 4.622 4.320 -0.000 0.000 0.292 661 A C 1.009 178.602 177.584 0.014 0.000 1.232 661 A CA -0.267 51.785 52.037 0.025 0.000 0.893 661 A CB 0.076 19.121 19.000 0.075 0.000 1.131 661 A HN 0.989 nan 8.150 nan 0.000 0.530 662 E N 1.775 121.977 120.200 0.003 0.000 2.030 662 E HA 0.073 4.423 4.350 -0.000 0.000 0.189 662 E C 0.646 177.251 176.600 0.009 0.000 0.974 662 E CA 1.409 57.812 56.400 0.005 0.000 0.807 662 E CB 0.203 29.904 29.700 0.002 0.000 0.771 662 E HN 0.744 nan 8.360 nan 0.000 0.451 663 V N -1.104 118.817 119.914 0.011 0.000 3.046 663 V HA 0.499 4.619 4.120 -0.000 0.000 0.316 663 V C 0.111 176.219 176.094 0.024 0.000 1.104 663 V CA -0.647 61.663 62.300 0.016 0.000 1.006 663 V CB 1.165 32.997 31.823 0.015 0.000 1.058 663 V HN 0.246 nan 8.190 nan 0.000 0.440 664 T N -0.476 114.093 114.554 0.025 0.000 2.926 664 T HA 0.294 4.644 4.350 -0.000 0.000 0.307 664 T C -1.544 173.184 174.700 0.045 0.000 1.059 664 T CA -0.469 61.651 62.100 0.033 0.000 1.122 664 T CB 0.692 69.572 68.868 0.020 0.000 0.972 664 T HN 0.648 nan 8.240 nan 0.000 0.545 665 P HA -0.173 nan 4.420 nan 0.000 0.216 665 P C 1.694 179.044 177.300 0.084 0.000 1.154 665 P CA 1.211 64.349 63.100 0.064 0.000 0.865 665 P CB -0.001 31.736 31.700 0.061 0.000 0.789 666 R N 0.406 120.948 120.500 0.069 0.000 2.083 666 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 666 R C 2.092 178.463 176.300 0.119 0.000 1.137 666 R CA 1.952 58.111 56.100 0.098 0.000 0.951 666 R CB -0.544 29.788 30.300 0.053 0.000 0.851 666 R HN 0.195 nan 8.270 nan 0.000 0.434 667 E N -0.362 119.879 120.200 0.068 0.000 2.118 667 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 667 E C 1.882 178.507 176.600 0.041 0.000 0.992 667 E CA 1.234 57.661 56.400 0.045 0.000 0.804 667 E CB -0.089 29.627 29.700 0.027 0.000 0.741 667 E HN 0.509 nan 8.360 nan 0.000 0.458 668 A N 0.511 123.366 122.820 0.057 0.000 1.929 668 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 668 A C 1.990 179.608 177.584 0.056 0.000 1.176 668 A CA 0.989 53.054 52.037 0.047 0.000 0.628 668 A CB -0.615 18.414 19.000 0.047 0.000 0.816 668 A HN 0.386 nan 8.150 nan 0.000 0.444 669 Y N 1.715 122.017 120.300 0.004 0.000 2.128 669 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 669 Y C 2.011 177.913 175.900 0.004 0.000 1.154 669 Y CA 2.200 60.303 58.100 0.004 0.000 1.149 669 Y CB -0.419 38.041 38.460 0.001 0.000 0.976 669 Y HN 0.327 nan 8.280 nan 0.000 0.505 670 N N 0.588 119.222 118.700 -0.110 0.000 2.258 670 N HA -0.199 4.541 4.740 -0.000 0.000 0.187 670 N C 1.847 177.247 175.510 -0.184 0.000 1.012 670 N CA 1.330 54.284 53.050 -0.160 0.000 0.870 670 N CB -0.688 37.790 38.487 -0.016 0.000 0.977 670 N HN 0.578 nan 8.380 nan 0.000 0.434 671 A N 0.465 123.203 122.820 -0.137 0.000 1.969 671 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 671 A C 2.232 179.730 177.584 -0.144 0.000 1.169 671 A CA 0.692 52.667 52.037 -0.102 0.000 0.635 671 A CB -0.454 18.515 19.000 -0.051 0.000 0.810 671 A HN 0.232 nan 8.150 nan 0.000 0.445 672 I N -0.387 120.038 120.570 -0.242 0.000 2.163 672 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 672 I C 2.270 178.237 176.117 -0.251 0.000 1.081 672 I CA 1.143 62.295 61.300 -0.247 0.000 1.353 672 I CB -0.452 37.358 38.000 -0.316 0.000 1.054 672 I HN 0.132 nan 8.210 nan 0.000 0.407 673 V N 0.608 120.299 119.914 -0.373 0.000 2.469 673 V HA -0.291 3.828 4.120 -0.000 0.000 0.251 673 V C 1.506 177.523 176.094 -0.128 0.000 1.064 673 V CA 1.840 63.999 62.300 -0.234 0.000 1.066 673 V CB -0.719 30.969 31.823 -0.225 0.000 0.667 673 V HN 0.416 nan 8.190 nan 0.000 0.461 674 D N -0.426 119.903 120.400 -0.119 0.000 2.340 674 D HA 0.027 4.667 4.640 -0.000 0.000 0.220 674 D C 1.047 177.313 176.300 -0.057 0.000 1.039 674 D CA 0.206 54.164 54.000 -0.071 0.000 0.866 674 D CB -0.425 40.340 40.800 -0.058 0.000 0.913 674 D HN 0.446 nan 8.370 nan 0.000 0.523 675 N N 1.063 119.723 118.700 -0.066 0.000 2.735 675 N HA -0.244 4.496 4.740 -0.000 0.000 0.248 675 N C -0.474 175.016 175.510 -0.033 0.000 1.083 675 N CA 0.316 53.339 53.050 -0.045 0.000 0.703 675 N CB -1.528 36.939 38.487 -0.033 0.000 1.005 675 N HN 0.098 nan 8.380 nan 0.000 0.550 676 N N -0.292 118.385 118.700 -0.038 0.000 2.535 676 N HA 0.285 5.025 4.740 -0.000 0.000 0.294 676 N C -0.817 174.683 175.510 -0.016 0.000 1.408 676 N CA 0.169 53.205 53.050 -0.023 0.000 0.927 676 N CB 0.340 38.813 38.487 -0.024 0.000 1.276 676 N HN 0.248 nan 8.380 nan 0.000 0.505 677 V N -2.249 117.658 119.914 -0.013 0.000 3.102 677 V HA 0.812 4.931 4.120 -0.000 0.000 0.312 677 V C -0.725 175.376 176.094 0.013 0.000 1.135 677 V CA -0.933 61.369 62.300 0.003 0.000 1.022 677 V CB 2.141 33.962 31.823 -0.002 0.000 1.056 677 V HN 0.294 nan 8.190 nan 0.000 0.436 678 E N 1.882 122.099 120.200 0.029 0.000 2.423 678 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 678 E C -1.927 174.706 176.600 0.056 0.000 1.030 678 E CA -1.063 55.358 56.400 0.035 0.000 0.812 678 E CB 2.435 32.153 29.700 0.031 0.000 1.313 678 E HN 0.720 nan 8.360 nan 0.000 0.456 679 L N 1.786 123.048 121.223 0.066 0.000 2.290 679 L HA 0.385 4.725 4.340 -0.000 0.000 0.284 679 L C -0.573 176.387 176.870 0.149 0.000 1.078 679 L CA -0.878 54.027 54.840 0.109 0.000 0.815 679 L CB 1.324 43.435 42.059 0.087 0.000 1.162 679 L HN 0.345 nan 8.230 nan 0.000 0.435 680 V N 2.569 122.556 119.914 0.122 0.000 2.417 680 V HA 0.242 4.362 4.120 -0.000 0.000 0.291 680 V C 0.436 176.457 176.094 -0.121 0.000 1.024 680 V CA -0.537 61.780 62.300 0.029 0.000 0.861 680 V CB 1.591 33.398 31.823 -0.027 0.000 0.985 680 V HN 0.812 nan 8.190 nan 0.000 0.436 681 S N 2.701 118.236 115.700 -0.275 0.000 2.572 681 S HA 0.151 4.621 4.470 -0.000 0.000 0.267 681 S C 1.341 175.710 174.600 -0.384 0.000 1.361 681 S CA 0.099 57.904 58.200 -0.658 0.000 1.009 681 S CB 0.310 63.280 63.200 -0.384 0.000 0.888 681 S HN 0.716 nan 8.310 nan 0.000 0.553 682 I N 2.040 122.401 120.570 -0.348 0.000 2.099 682 I HA -0.166 4.004 4.170 -0.000 0.000 0.239 682 I C 1.953 177.945 176.117 -0.207 0.000 1.066 682 I CA 1.700 62.856 61.300 -0.240 0.000 1.324 682 I CB -0.220 37.674 38.000 -0.176 0.000 1.037 682 I HN 0.664 nan 8.210 nan 0.000 0.401 683 E N 1.036 121.141 120.200 -0.157 0.000 2.209 683 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 683 E C 1.367 177.903 176.600 -0.106 0.000 0.993 683 E CA 0.878 57.212 56.400 -0.111 0.000 0.819 683 E CB -0.579 29.076 29.700 -0.076 0.000 0.745 683 E HN 0.645 nan 8.360 nan 0.000 0.477 684 N N 0.287 118.913 118.700 -0.124 0.000 2.322 684 N HA 0.057 4.797 4.740 -0.000 0.000 0.194 684 N C 1.595 177.033 175.510 -0.119 0.000 1.126 684 N CA 0.045 53.038 53.050 -0.096 0.000 0.845 684 N CB 0.340 38.782 38.487 -0.074 0.000 0.976 684 N HN 0.198 nan 8.380 nan 0.000 0.475 685 L N 0.692 121.794 121.223 -0.201 0.000 2.156 685 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 685 L C -1.456 175.333 176.870 -0.134 0.000 1.095 685 L CA 0.433 55.079 54.840 -0.324 0.000 0.770 685 L CB -1.224 40.407 42.059 -0.712 0.000 0.914 685 L HN -0.101 nan 8.230 nan 0.000 0.439 686 P HA 0.009 nan 4.420 nan 0.000 0.262 686 P C 0.693 178.027 177.300 0.058 0.000 1.182 686 P CA 1.545 64.667 63.100 0.037 0.000 0.761 686 P CB 0.552 32.259 31.700 0.011 0.000 0.795 687 G N 1.925 110.785 108.800 0.099 0.000 2.195 687 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.246 687 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.246 687 G C 0.223 175.186 174.900 0.105 0.000 0.984 687 G CA -0.430 44.718 45.100 0.080 0.000 0.633 687 G HN 0.497 nan 8.290 nan 0.000 0.525 688 R N 0.174 120.780 120.500 0.177 0.000 2.486 688 R HA 0.642 4.982 4.340 -0.000 0.000 0.286 688 R C 0.418 176.861 176.300 0.239 0.000 0.999 688 R CA -0.860 55.359 56.100 0.198 0.000 0.993 688 R CB 0.788 31.204 30.300 0.193 0.000 1.084 688 R HN 0.333 nan 8.270 nan 0.000 0.487 689 I N 2.000 122.652 120.570 0.138 0.000 2.312 689 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 689 I C 0.734 176.904 176.117 0.089 0.000 1.031 689 I CA -0.610 60.726 61.300 0.061 0.000 1.293 689 I CB 1.353 39.371 38.000 0.031 0.000 1.403 689 I HN 0.494 nan 8.210 nan 0.000 0.484 690 A N 4.879 127.692 122.820 -0.012 0.000 2.520 690 A HA 0.389 4.709 4.320 -0.000 0.000 0.245 690 A C 1.162 178.769 177.584 0.038 0.000 1.072 690 A CA 0.254 52.312 52.037 0.034 0.000 0.761 690 A CB 0.388 19.257 19.000 -0.218 0.000 1.004 690 A HN 0.954 nan 8.150 nan 0.000 0.499 691 A N 2.725 125.595 122.820 0.083 0.000 2.178 691 A HA 0.294 4.614 4.320 -0.000 0.000 0.211 691 A C 0.631 178.261 177.584 0.078 0.000 1.157 691 A CA 0.848 52.924 52.037 0.065 0.000 0.780 691 A CB -0.493 18.541 19.000 0.058 0.000 0.828 691 A HN 1.145 nan 8.150 nan 0.000 0.476 692 N N -1.523 117.222 118.700 0.075 0.000 2.494 692 N HA 0.385 5.125 4.740 -0.000 0.000 0.270 692 N C -0.507 175.028 175.510 0.041 0.000 1.285 692 N CA 0.071 53.163 53.050 0.070 0.000 0.812 692 N CB 0.692 39.229 38.487 0.083 0.000 1.557 692 N HN 0.014 nan 8.380 nan 0.000 0.487 693 S N -0.309 115.405 115.700 0.023 0.000 2.573 693 S HA 0.379 4.849 4.470 -0.000 0.000 0.277 693 S C -0.140 174.476 174.600 0.026 0.000 1.346 693 S CA -0.598 57.600 58.200 -0.003 0.000 1.034 693 S CB 0.276 63.468 63.200 -0.013 0.000 0.879 693 S HN 0.526 nan 8.310 nan 0.000 0.528 694 V N 3.458 123.381 119.914 0.015 0.000 2.407 694 V HA 0.439 4.558 4.120 -0.000 0.000 0.291 694 V C -0.415 175.711 176.094 0.053 0.000 1.018 694 V CA -0.572 61.769 62.300 0.068 0.000 0.842 694 V CB 0.779 32.678 31.823 0.127 0.000 0.996 694 V HN 0.878 nan 8.190 nan 0.000 0.426 695 I N 7.581 128.189 120.570 0.064 0.000 2.502 695 I HA 0.375 4.545 4.170 -0.000 0.000 0.276 695 I C -2.487 173.618 176.117 -0.020 0.000 1.057 695 I CA -1.761 59.539 61.300 -0.000 0.000 1.163 695 I CB 2.029 40.008 38.000 -0.036 0.000 1.288 695 I HN 0.407 nan 8.210 nan 0.000 0.479 696 P HA 0.221 nan 4.420 nan 0.000 0.281 696 P C -1.431 175.818 177.300 -0.083 0.000 1.249 696 P CA -0.299 62.853 63.100 0.087 0.000 0.810 696 P CB 0.730 32.529 31.700 0.164 0.000 1.008 697 Y N 2.130 122.506 120.300 0.127 0.000 2.376 697 Y HA 0.335 4.885 4.550 -0.000 0.000 0.326 697 Y C -1.705 174.294 175.900 0.166 0.000 0.970 697 Y CA -2.005 56.161 58.100 0.110 0.000 1.248 697 Y CB 1.502 40.007 38.460 0.074 0.000 1.117 697 Y HN 0.307 nan 8.280 nan 0.000 0.476 698 P HA 0.212 nan 4.420 nan 0.000 0.279 698 P C -2.390 174.959 177.300 0.081 0.000 1.276 698 P CA -1.873 61.282 63.100 0.093 0.000 0.801 698 P CB 1.558 33.293 31.700 0.059 0.000 1.127 699 P HA 0.042 nan 4.420 nan 0.000 0.249 699 P C 0.859 178.019 177.300 -0.233 0.000 1.229 699 P CA 0.667 63.636 63.100 -0.218 0.000 0.788 699 P CB -0.382 31.043 31.700 -0.458 0.000 1.072 700 G N 1.193 109.744 108.800 -0.416 0.000 2.179 700 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 700 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 700 G C 0.060 174.685 174.900 -0.457 0.000 1.010 700 G CA 0.466 45.059 45.100 -0.845 0.000 0.736 700 G HN 0.581 nan 8.290 nan 0.000 0.513 701 I N -3.595 116.841 120.570 -0.224 0.000 3.002 701 I HA 0.803 4.973 4.170 -0.000 0.000 0.310 701 I C -2.609 173.559 176.117 0.086 0.000 1.087 701 I CA -3.578 57.710 61.300 -0.020 0.000 1.017 701 I CB 1.960 40.004 38.000 0.074 0.000 1.226 701 I HN -0.166 nan 8.210 nan 0.000 0.443 702 P HA 0.095 nan 4.420 nan 0.000 0.261 702 P C 0.258 177.583 177.300 0.042 0.000 1.203 702 P CA 0.128 63.248 63.100 0.033 0.000 0.767 702 P CB 0.592 32.271 31.700 -0.035 0.000 0.785 703 M N 3.871 123.461 119.600 -0.017 0.000 2.193 703 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 703 M C -0.224 175.904 176.300 -0.286 0.000 1.071 703 M CA 1.767 56.870 55.300 -0.328 0.000 1.140 703 M CB 0.164 32.645 32.600 -0.199 0.000 1.369 703 M HN 0.180 nan 8.290 nan 0.000 0.423 704 L N 0.236 121.344 121.223 -0.192 0.000 2.381 704 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 704 L C -0.899 175.861 176.870 -0.184 0.000 0.997 704 L CA -0.358 54.335 54.840 -0.246 0.000 0.818 704 L CB 2.164 44.003 42.059 -0.368 0.000 1.310 704 L HN 0.095 nan 8.230 nan 0.000 0.416 705 L N 0.289 121.394 121.223 -0.198 0.000 2.365 705 L HA 0.510 4.850 4.340 -0.000 0.000 0.267 705 L C 0.284 177.101 176.870 -0.088 0.000 1.033 705 L CA -0.853 53.912 54.840 -0.124 0.000 0.802 705 L CB 1.747 43.728 42.059 -0.130 0.000 1.267 705 L HN 0.529 nan 8.230 nan 0.000 0.457 706 S N 0.624 116.307 115.700 -0.027 0.000 2.546 706 S HA 0.272 4.741 4.470 -0.000 0.000 0.290 706 S C 0.804 175.405 174.600 0.002 0.000 1.262 706 S CA 0.689 58.891 58.200 0.002 0.000 1.083 706 S CB 0.389 63.619 63.200 0.050 0.000 0.859 706 S HN 0.998 nan 8.310 nan 0.000 0.495 707 G N 2.913 111.702 108.800 -0.017 0.000 2.179 707 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 707 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 707 G C -0.276 174.601 174.900 -0.039 0.000 0.990 707 G CA -0.317 44.777 45.100 -0.010 0.000 0.646 707 G HN 0.614 nan 8.290 nan 0.000 0.517 708 E N 0.308 120.447 120.200 -0.101 0.000 2.248 708 E HA 0.426 4.776 4.350 -0.000 0.000 0.272 708 E C -0.154 176.321 176.600 -0.207 0.000 1.008 708 E CA -0.836 55.480 56.400 -0.141 0.000 0.856 708 E CB 0.797 30.388 29.700 -0.182 0.000 1.120 708 E HN 0.147 nan 8.360 nan 0.000 0.397 709 N N 1.664 120.276 118.700 -0.148 0.000 2.472 709 N HA 0.068 4.808 4.740 -0.000 0.000 0.277 709 N C 0.049 175.471 175.510 -0.147 0.000 1.081 709 N CA 0.003 52.992 53.050 -0.101 0.000 0.973 709 N CB 0.509 38.987 38.487 -0.014 0.000 1.105 709 N HN 0.406 nan 8.380 nan 0.000 0.470 710 F N 2.107 122.051 119.950 -0.010 0.000 2.494 710 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 710 F C 1.951 177.742 175.800 -0.016 0.000 1.106 710 F CA 1.182 59.173 58.000 -0.015 0.000 1.452 710 F CB -0.446 38.549 39.000 -0.008 0.000 1.085 710 F HN 0.745 nan 8.300 nan 0.000 0.569 711 G N 0.094 108.968 108.800 0.124 0.000 2.482 711 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 711 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 711 G C -0.785 174.155 174.900 0.068 0.000 1.271 711 G CA -0.356 44.785 45.100 0.068 0.000 0.944 711 G HN 0.373 nan 8.290 nan 0.000 0.568 712 D N -0.443 119.983 120.400 0.044 0.000 2.530 712 D HA 0.553 5.193 4.640 -0.000 0.000 0.282 712 D C 1.499 177.816 176.300 0.028 0.000 1.204 712 D CA -0.039 53.980 54.000 0.032 0.000 1.093 712 D CB 0.315 41.127 40.800 0.020 0.000 1.154 712 D HN 0.567 nan 8.370 nan 0.000 0.593 713 K N -1.143 119.267 120.400 0.016 0.000 2.209 713 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 713 K C 0.704 177.308 176.600 0.008 0.000 1.048 713 K CA 0.824 57.116 56.287 0.008 0.000 0.940 713 K CB -0.220 32.282 32.500 0.003 0.000 0.729 713 K HN 0.313 nan 8.250 nan 0.000 0.451 714 N N 0.971 119.678 118.700 0.011 0.000 2.276 714 N HA -0.034 4.706 4.740 -0.000 0.000 0.212 714 N C -0.323 175.197 175.510 0.017 0.000 1.127 714 N CA 0.089 53.144 53.050 0.010 0.000 0.834 714 N CB 0.760 39.250 38.487 0.006 0.000 1.014 714 N HN -0.038 nan 8.380 nan 0.000 0.491 715 S N 3.049 118.765 115.700 0.027 0.000 2.811 715 S HA 0.013 4.482 4.470 -0.000 0.000 0.325 715 S C -0.932 173.695 174.600 0.045 0.000 1.224 715 S CA -0.965 57.261 58.200 0.043 0.000 1.125 715 S CB 0.769 64.014 63.200 0.075 0.000 0.867 715 S HN 0.188 nan 8.310 nan 0.000 0.512 716 P HA -0.123 nan 4.420 nan 0.000 0.217 716 P C 1.057 178.404 177.300 0.078 0.000 1.150 716 P CA 1.064 64.188 63.100 0.039 0.000 0.832 716 P CB 0.138 31.842 31.700 0.007 0.000 0.787 717 Q N 0.027 119.871 119.800 0.073 0.000 2.050 717 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 717 Q C 2.374 178.479 176.000 0.175 0.000 0.980 717 Q CA 1.438 57.317 55.803 0.127 0.000 0.840 717 Q CB -1.659 27.147 28.738 0.114 0.000 0.898 717 Q HN 0.084 nan 8.270 nan 0.000 0.424 718 V N 0.310 120.308 119.914 0.140 0.000 2.295 718 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 718 V C 2.069 178.181 176.094 0.029 0.000 1.049 718 V CA 2.007 64.338 62.300 0.051 0.000 1.024 718 V CB -0.836 30.984 31.823 -0.006 0.000 0.648 718 V HN 0.335 nan 8.190 nan 0.000 0.447 719 S N -0.886 114.846 115.700 0.053 0.000 2.400 719 S HA -0.254 4.216 4.470 -0.000 0.000 0.232 719 S C 1.883 176.545 174.600 0.105 0.000 1.025 719 S CA 1.905 60.138 58.200 0.054 0.000 0.993 719 S CB -0.502 62.731 63.200 0.054 0.000 0.808 719 S HN 0.671 nan 8.310 nan 0.000 0.478 720 Y N 2.249 122.553 120.300 0.005 0.000 2.263 720 Y HA 0.074 4.624 4.550 -0.000 0.000 0.292 720 Y C 1.817 177.719 175.900 0.003 0.000 1.130 720 Y CA 0.651 58.763 58.100 0.019 0.000 1.179 720 Y CB -0.560 37.929 38.460 0.048 0.000 0.998 720 Y HN 0.144 nan 8.280 nan 0.000 0.532 721 L N -0.442 120.716 121.223 -0.109 0.000 2.131 721 L HA -0.240 4.099 4.340 -0.000 0.000 0.210 721 L C 2.639 179.300 176.870 -0.349 0.000 1.092 721 L CA 1.375 56.086 54.840 -0.215 0.000 0.759 721 L CB -0.531 41.494 42.059 -0.056 0.000 0.903 721 L HN 0.119 nan 8.230 nan 0.000 0.435 722 R N -0.028 120.348 120.500 -0.207 0.000 2.091 722 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 722 R C 2.717 178.941 176.300 -0.126 0.000 1.136 722 R CA 1.880 57.870 56.100 -0.184 0.000 0.959 722 R CB -0.294 29.960 30.300 -0.077 0.000 0.856 722 R HN 0.495 nan 8.270 nan 0.000 0.437 723 S N 0.774 116.452 115.700 -0.037 0.000 2.355 723 S HA -0.108 4.362 4.470 -0.000 0.000 0.222 723 S C 2.116 176.799 174.600 0.140 0.000 1.031 723 S CA 0.851 59.147 58.200 0.160 0.000 0.993 723 S CB -0.574 62.763 63.200 0.228 0.000 0.859 723 S HN 0.225 nan 8.310 nan 0.000 0.453 724 L N 1.395 122.491 121.223 -0.212 0.000 2.021 724 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 724 L C 3.213 180.017 176.870 -0.110 0.000 1.074 724 L CA 2.208 56.852 54.840 -0.327 0.000 0.760 724 L CB -0.766 41.033 42.059 -0.434 0.000 0.889 724 L HN 0.483 nan 8.230 nan 0.000 0.433 725 Q N -0.641 118.902 119.800 -0.427 0.000 2.079 725 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 725 Q C 2.442 178.209 176.000 -0.388 0.000 0.974 725 Q CA 1.771 57.223 55.803 -0.586 0.000 0.840 725 Q CB -0.005 28.141 28.738 -0.987 0.000 0.898 725 Q HN 0.415 nan 8.270 nan 0.000 0.430 726 S N 0.299 115.930 115.700 -0.116 0.000 2.370 726 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 726 S C 1.451 176.179 174.600 0.213 0.000 1.033 726 S CA 1.247 59.553 58.200 0.176 0.000 1.011 726 S CB -0.606 62.921 63.200 0.545 0.000 0.852 726 S HN 0.685 nan 8.310 nan 0.000 0.457 727 W N 2.272 123.484 121.300 -0.147 0.000 2.333 727 W HA -0.172 4.488 4.660 -0.000 0.000 0.316 727 W C 1.363 177.831 176.519 -0.085 0.000 1.215 727 W CA 1.933 58.971 57.345 -0.511 0.000 1.278 727 W CB -0.902 28.307 29.460 -0.419 0.000 1.154 727 W HN 0.323 nan 8.180 nan 0.000 0.486 728 D N -0.719 119.751 120.400 0.116 0.000 2.133 728 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 728 D C 1.846 178.142 176.300 -0.007 0.000 0.997 728 D CA 1.989 56.044 54.000 0.091 0.000 0.840 728 D CB -1.085 39.861 40.800 0.243 0.000 0.947 728 D HN 0.496 nan 8.370 nan 0.000 0.452 729 H N -1.080 117.906 119.070 -0.140 0.000 2.357 729 H HA -0.042 4.514 4.556 -0.000 0.000 0.301 729 H C 1.809 176.845 175.328 -0.487 0.000 1.082 729 H CA 0.883 56.769 56.048 -0.269 0.000 1.342 729 H CB 0.088 29.684 29.762 -0.275 0.000 1.389 729 H HN 0.308 nan 8.280 nan 0.000 0.511 730 H N -1.104 117.701 119.070 -0.441 0.000 2.470 730 H HA 0.018 4.574 4.556 -0.000 0.000 0.289 730 H C -0.193 174.341 175.328 -1.323 0.000 1.033 730 H CA 0.695 56.184 56.048 -0.931 0.000 1.331 730 H CB 0.421 29.428 29.762 -1.260 0.000 1.414 730 H HN 0.168 nan 8.280 nan 0.000 0.545 731 F N 1.368 121.054 119.950 -0.439 0.000 2.584 731 F HA 0.289 4.816 4.527 -0.000 0.000 0.328 731 F C -2.485 173.242 175.800 -0.121 0.000 1.407 731 F CA -3.261 54.542 58.000 -0.328 0.000 1.145 731 F CB 0.646 39.148 39.000 -0.831 0.000 1.440 731 F HN -0.143 nan 8.300 nan 0.000 0.580 732 P HA 0.159 nan 4.420 nan 0.000 0.264 732 P C 0.971 178.030 177.300 -0.402 0.000 1.193 732 P CA 1.206 64.067 63.100 -0.399 0.000 0.763 732 P CB 1.186 32.323 31.700 -0.938 0.000 0.810 733 G N 2.425 111.062 108.800 -0.272 0.000 2.238 733 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 733 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 733 G C 0.201 174.791 174.900 -0.516 0.000 0.996 733 G CA -0.350 44.552 45.100 -0.330 0.000 0.632 733 G HN 0.437 nan 8.290 nan 0.000 0.503 734 F N 1.972 121.952 119.950 0.050 0.000 2.764 734 F HA 0.489 5.016 4.527 -0.000 0.000 0.310 734 F C 0.729 176.667 175.800 0.230 0.000 1.124 734 F CA -0.720 57.364 58.000 0.140 0.000 1.252 734 F CB 0.550 39.673 39.000 0.205 0.000 1.010 734 F HN 0.002 nan 8.300 nan 0.000 0.518 735 E N 0.561 120.913 120.200 0.253 0.000 2.437 735 E HA -0.021 4.329 4.350 -0.000 0.000 0.263 735 E C 0.320 177.044 176.600 0.208 0.000 1.030 735 E CA 0.394 56.961 56.400 0.278 0.000 0.934 735 E CB 0.235 30.052 29.700 0.195 0.000 0.943 735 E HN 0.239 nan 8.360 nan 0.000 0.444 736 H N 1.679 120.925 119.070 0.293 0.000 2.671 736 H HA 0.131 4.687 4.556 -0.000 0.000 0.372 736 H C 0.037 175.439 175.328 0.122 0.000 1.227 736 H CA 0.092 56.250 56.048 0.183 0.000 1.426 736 H CB 0.813 30.681 29.762 0.176 0.000 1.480 736 H HN 0.416 nan 8.280 nan 0.000 0.611 737 E N 1.101 121.432 120.200 0.219 0.000 2.179 737 E HA 0.283 4.633 4.350 -0.000 0.000 0.275 737 E C -0.708 176.030 176.600 0.230 0.000 0.945 737 E CA -0.617 55.857 56.400 0.123 0.000 0.792 737 E CB 1.859 31.544 29.700 -0.025 0.000 1.125 737 E HN 0.491 nan 8.360 nan 0.000 0.397 738 T N 2.521 117.156 114.554 0.134 0.000 2.985 738 T HA 0.146 4.496 4.350 -0.000 0.000 0.315 738 T C -0.282 174.494 174.700 0.127 0.000 1.001 738 T CA -0.738 61.468 62.100 0.176 0.000 1.016 738 T CB 1.130 70.055 68.868 0.094 0.000 0.993 738 T HN 0.154 nan 8.240 nan 0.000 0.454 739 E N 1.650 121.977 120.200 0.212 0.000 2.558 739 E HA 0.235 4.585 4.350 -0.000 0.000 0.255 739 E C 1.313 177.970 176.600 0.096 0.000 0.968 739 E CA 1.407 57.892 56.400 0.142 0.000 0.939 739 E CB 0.685 30.491 29.700 0.176 0.000 0.921 739 E HN 1.118 nan 8.360 nan 0.000 0.477 740 G N 2.938 111.779 108.800 0.068 0.000 2.179 740 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 740 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 740 G C 0.517 175.461 174.900 0.072 0.000 0.990 740 G CA 0.388 45.531 45.100 0.071 0.000 0.646 740 G HN 0.662 nan 8.290 nan 0.000 0.517 741 T N -1.518 113.056 114.554 0.034 0.000 2.912 741 T HA 0.736 5.085 4.350 -0.000 0.000 0.280 741 T C -0.357 174.331 174.700 -0.021 0.000 0.989 741 T CA -0.357 61.743 62.100 -0.000 0.000 0.995 741 T CB 2.648 71.435 68.868 -0.136 0.000 1.077 741 T HN 0.295 nan 8.240 nan 0.000 0.531 742 E N 0.187 120.386 120.200 -0.003 0.000 2.272 742 E HA 0.512 4.862 4.350 -0.000 0.000 0.269 742 E C -1.098 175.495 176.600 -0.010 0.000 0.877 742 E CA -0.685 55.700 56.400 -0.024 0.000 0.755 742 E CB 2.358 32.044 29.700 -0.022 0.000 1.192 742 E HN 0.556 nan 8.360 nan 0.000 0.422 743 I N 3.858 124.404 120.570 -0.040 0.000 2.362 743 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 743 I C -0.578 175.553 176.117 0.024 0.000 0.994 743 I CA -0.460 60.856 61.300 0.027 0.000 1.158 743 I CB 1.015 39.006 38.000 -0.015 0.000 1.315 743 I HN 0.340 nan 8.210 nan 0.000 0.451 744 I N 5.833 126.437 120.570 0.057 0.000 2.420 744 I HA 0.270 4.440 4.170 -0.000 0.000 0.282 744 I C -0.412 175.761 176.117 0.094 0.000 1.019 744 I CA -0.379 60.920 61.300 -0.002 0.000 1.130 744 I CB 1.046 38.936 38.000 -0.182 0.000 1.262 744 I HN 0.632 nan 8.210 nan 0.000 0.454 745 D N 5.097 125.542 120.400 0.074 0.000 2.835 745 D HA -0.177 4.462 4.640 -0.000 0.000 0.230 745 D C 1.104 177.479 176.300 0.124 0.000 1.130 745 D CA 1.299 55.345 54.000 0.076 0.000 0.738 745 D CB -0.790 40.043 40.800 0.056 0.000 1.090 745 D HN 1.156 nan 8.370 nan 0.000 0.433 746 G N -0.753 108.160 108.800 0.188 0.000 2.179 746 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 746 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 746 G C 0.208 175.376 174.900 0.448 0.000 0.977 746 G CA 0.444 45.746 45.100 0.336 0.000 0.641 746 G HN 0.439 nan 8.290 nan 0.000 0.533 747 I N 1.035 121.813 120.570 0.347 0.000 2.354 747 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 747 I C 0.182 176.571 176.117 0.454 0.000 0.989 747 I CA -1.511 59.988 61.300 0.331 0.000 1.188 747 I CB 0.849 38.989 38.000 0.233 0.000 1.342 747 I HN 0.031 nan 8.210 nan 0.000 0.457 748 Y N 5.158 125.505 120.300 0.079 0.000 2.411 748 Y HA 0.326 4.875 4.550 -0.000 0.000 0.333 748 Y C 0.187 176.097 175.900 0.016 0.000 1.186 748 Y CA -0.051 58.098 58.100 0.081 0.000 1.381 748 Y CB 0.155 38.609 38.460 -0.011 0.000 1.273 748 Y HN 0.482 nan 8.280 nan 0.000 0.546 749 H N -0.448 118.682 119.070 0.101 0.000 2.806 749 H HA 0.703 5.259 4.556 -0.000 0.000 0.367 749 H C -1.143 174.201 175.328 0.027 0.000 1.136 749 H CA -0.784 55.286 56.048 0.037 0.000 1.178 749 H CB 1.664 31.440 29.762 0.025 0.000 1.718 749 H HN 0.336 nan 8.280 nan 0.000 0.540 750 V N 2.552 122.532 119.914 0.110 0.000 2.914 750 V HA 0.306 4.426 4.120 -0.000 0.000 0.314 750 V C -0.072 176.102 176.094 0.133 0.000 1.084 750 V CA -0.971 61.409 62.300 0.132 0.000 0.963 750 V CB 2.245 34.187 31.823 0.197 0.000 1.025 750 V HN 0.727 nan 8.190 nan 0.000 0.432 751 M N 3.242 122.925 119.600 0.138 0.000 2.105 751 M HA 0.443 4.923 4.480 -0.000 0.000 0.350 751 M C -1.066 175.312 176.300 0.131 0.000 1.308 751 M CA 0.137 55.504 55.300 0.111 0.000 1.108 751 M CB 0.111 32.761 32.600 0.083 0.000 1.622 751 M HN 0.792 nan 8.290 nan 0.000 0.468 752 C N 3.579 122.949 119.300 0.116 0.000 2.529 752 C HA 0.602 5.062 4.460 -0.000 0.000 0.329 752 C C -0.036 174.998 174.990 0.073 0.000 1.194 752 C CA -1.222 57.871 59.018 0.125 0.000 1.779 752 C CB 1.539 29.370 27.740 0.151 0.000 2.322 752 C HN 0.662 nan 8.230 nan 0.000 0.500 753 V N 2.824 122.775 119.914 0.061 0.000 2.673 753 V HA 0.038 4.157 4.120 -0.000 0.000 0.303 753 V C 0.550 176.665 176.094 0.036 0.000 1.046 753 V CA 0.226 62.547 62.300 0.034 0.000 1.126 753 V CB -0.067 31.771 31.823 0.026 0.000 0.934 753 V HN 0.804 nan 8.190 nan 0.000 0.487 754 K N 3.150 123.563 120.400 0.022 0.000 2.436 754 K HA 0.431 4.751 4.320 -0.000 0.000 0.275 754 K C 0.549 177.160 176.600 0.019 0.000 0.999 754 K CA 0.067 56.366 56.287 0.020 0.000 0.980 754 K CB 0.538 33.045 32.500 0.011 0.000 0.919 754 K HN 0.883 nan 8.250 nan 0.000 0.484 755 A N 0.000 122.832 122.820 0.021 0.000 2.254 755 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 755 A CA 0.000 52.049 52.037 0.020 0.000 0.836 755 A CB 0.000 19.012 19.000 0.020 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486