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 3br9_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.568 174.600 -0.053 0.000 1.055 1 S CA 0.000 58.178 58.200 -0.036 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.049 0.000 0.593 2 M N 3.099 122.663 119.600 -0.061 0.000 2.238 2 M HA 0.247 4.727 4.480 0.000 0.000 0.350 2 M C 1.895 178.080 176.300 -0.192 0.000 1.321 2 M CA 0.039 55.287 55.300 -0.086 0.000 1.097 2 M CB 0.485 33.053 32.600 -0.053 0.000 1.713 2 M HN 1.043 nan 8.290 nan 0.000 0.455 3 S N 3.227 118.747 115.700 -0.301 0.000 2.383 3 S HA -0.099 4.371 4.470 0.000 0.000 0.229 3 S C 0.174 174.345 174.600 -0.716 0.000 1.030 3 S CA 0.967 58.861 58.200 -0.511 0.000 1.002 3 S CB -0.173 62.625 63.200 -0.669 0.000 0.829 3 S HN 0.637 nan 8.310 nan 0.000 0.467 4 Y N -0.141 119.957 120.300 -0.337 0.000 2.553 4 Y HA 0.585 5.135 4.550 0.000 0.000 0.347 4 Y C -0.207 175.358 175.900 -0.558 0.000 1.019 4 Y CA -0.982 56.774 58.100 -0.573 0.000 1.032 4 Y CB 2.164 40.055 38.460 -0.948 0.000 1.284 4 Y HN -0.152 nan 8.280 nan 0.000 0.466 5 T N 1.827 116.129 114.554 -0.419 0.000 2.824 5 T HA 0.384 4.735 4.350 0.000 0.000 0.282 5 T C -1.359 173.131 174.700 -0.349 0.000 0.993 5 T CA -0.738 61.198 62.100 -0.272 0.000 0.967 5 T CB 0.454 69.272 68.868 -0.084 0.000 0.960 5 T HN 0.448 nan 8.240 nan 0.000 0.441 6 W N 1.403 122.761 121.300 0.096 0.000 2.606 6 W HA 0.388 5.048 4.660 0.000 0.000 0.332 6 W C 1.559 178.108 176.519 0.050 0.000 1.052 6 W CA -0.951 56.433 57.345 0.065 0.000 1.223 6 W CB 1.212 30.692 29.460 0.034 0.000 1.383 6 W HN 0.760 nan 8.180 nan 0.000 0.524 7 T N -2.089 112.646 114.554 0.301 0.000 3.035 7 T HA 0.286 4.636 4.350 0.000 0.000 0.259 7 T C 1.457 176.243 174.700 0.142 0.000 1.078 7 T CA 0.972 63.177 62.100 0.174 0.000 1.132 7 T CB 0.018 68.966 68.868 0.134 0.000 0.900 7 T HN 1.097 nan 8.240 nan 0.000 0.480 8 G N 1.259 110.150 108.800 0.150 0.000 2.316 8 G HA2 0.053 4.014 3.960 0.000 0.000 0.203 8 G HA3 0.053 4.014 3.960 0.000 0.000 0.203 8 G C 0.375 175.297 174.900 0.038 0.000 0.999 8 G CA -0.161 44.982 45.100 0.071 0.000 0.649 8 G HN 1.090 nan 8.290 nan 0.000 0.489 9 A N 1.224 124.081 122.820 0.060 0.000 2.511 9 A HA 0.601 4.922 4.320 0.000 0.000 0.242 9 A C 0.832 178.420 177.584 0.006 0.000 1.069 9 A CA 0.263 52.322 52.037 0.037 0.000 0.763 9 A CB 0.128 19.161 19.000 0.056 0.000 1.001 9 A HN 0.859 nan 8.150 nan 0.000 0.498 10 L N 2.116 123.330 121.223 -0.016 0.000 2.436 10 L HA 0.222 4.562 4.340 0.000 0.000 0.265 10 L C 0.180 177.027 176.870 -0.039 0.000 1.168 10 L CA -0.231 54.581 54.840 -0.047 0.000 0.815 10 L CB 0.601 42.639 42.059 -0.036 0.000 1.109 10 L HN 0.564 nan 8.230 nan 0.000 0.462 11 I N 1.643 122.170 120.570 -0.071 0.000 2.436 11 I HA 0.077 4.247 4.170 0.000 0.000 0.289 11 I C 0.443 176.549 176.117 -0.018 0.000 1.083 11 I CA 0.013 61.288 61.300 -0.042 0.000 1.372 11 I CB 0.703 38.662 38.000 -0.068 0.000 1.408 11 I HN 0.631 nan 8.210 nan 0.000 0.516 12 T N 5.025 119.581 114.554 0.002 0.000 2.895 12 T HA 0.581 4.931 4.350 0.000 0.000 0.283 12 T C -2.415 172.300 174.700 0.025 0.000 1.014 12 T CA -2.044 60.062 62.100 0.010 0.000 1.037 12 T CB 1.851 70.725 68.868 0.009 0.000 1.006 12 T HN 0.273 nan 8.240 nan 0.000 0.468 13 P HA 0.338 nan 4.420 nan 0.000 0.276 13 P C 0.042 177.366 177.300 0.039 0.000 1.261 13 P CA -0.628 62.495 63.100 0.039 0.000 0.800 13 P CB 0.937 32.660 31.700 0.038 0.000 1.066 14 C N 0.214 119.541 119.300 0.045 0.000 3.082 14 C HA 0.388 4.848 4.460 0.000 0.000 0.281 14 C C 1.575 176.586 174.990 0.036 0.000 1.450 14 C CA 0.831 59.872 59.018 0.039 0.000 1.688 14 C CB -0.867 26.899 27.740 0.044 0.000 2.049 14 C HN 0.641 nan 8.230 nan 0.000 0.641 15 A N 0.982 123.827 122.820 0.041 0.000 2.386 15 A HA 0.593 4.913 4.320 0.000 0.000 0.248 15 A C 0.340 177.952 177.584 0.047 0.000 1.082 15 A CA 0.400 52.463 52.037 0.043 0.000 0.789 15 A CB -0.198 18.832 19.000 0.049 0.000 1.025 15 A HN 0.818 nan 8.150 nan 0.000 0.490 16 A N 1.127 123.975 122.820 0.047 0.000 2.507 16 A HA 0.447 4.767 4.320 0.000 0.000 0.235 16 A C 0.197 177.822 177.584 0.070 0.000 1.070 16 A CA 0.265 52.334 52.037 0.052 0.000 0.768 16 A CB -0.100 18.929 19.000 0.048 0.000 1.011 16 A HN 0.807 nan 8.150 nan 0.000 0.502 17 E N 0.431 120.678 120.200 0.078 0.000 2.238 17 E HA 0.388 4.738 4.350 0.000 0.000 0.267 17 E C -1.149 175.531 176.600 0.134 0.000 0.887 17 E CA -0.493 55.968 56.400 0.103 0.000 0.769 17 E CB 1.929 31.680 29.700 0.085 0.000 1.187 17 E HN 0.717 nan 8.360 nan 0.000 0.416 18 E N 0.974 121.295 120.200 0.202 0.000 2.156 18 E HA 0.151 4.501 4.350 0.000 0.000 0.279 18 E C 0.035 176.851 176.600 0.360 0.000 0.965 18 E CA -0.189 56.369 56.400 0.263 0.000 0.789 18 E CB 1.348 31.241 29.700 0.323 0.000 1.098 18 E HN 0.555 nan 8.360 nan 0.000 0.397 19 S N 2.406 118.287 115.700 0.301 0.000 2.497 19 S HA 0.118 4.588 4.470 0.000 0.000 0.218 19 S C 0.711 175.575 174.600 0.440 0.000 1.023 19 S CA -0.111 58.292 58.200 0.339 0.000 0.913 19 S CB 0.391 63.735 63.200 0.240 0.000 0.800 19 S HN 0.164 nan 8.310 nan 0.000 0.505 20 K N 2.076 122.669 120.400 0.322 0.000 2.172 20 K HA 0.358 4.678 4.320 0.000 0.000 0.276 20 K C -0.567 176.077 176.600 0.073 0.000 1.013 20 K CA -0.936 55.483 56.287 0.220 0.000 0.913 20 K CB 1.395 33.959 32.500 0.106 0.000 1.055 20 K HN 0.274 nan 8.250 nan 0.000 0.461 21 L N 5.864 127.132 121.223 0.074 0.000 2.700 21 L HA 0.002 4.342 4.340 0.000 0.000 0.276 21 L C -2.218 174.399 176.870 -0.422 0.000 1.200 21 L CA -0.549 54.141 54.840 -0.249 0.000 0.951 21 L CB -0.320 41.744 42.059 0.009 0.000 1.226 21 L HN 0.379 nan 8.230 nan 0.000 0.489 22 P HA 0.160 nan 4.420 nan 0.000 0.268 22 P C -0.901 176.165 177.300 -0.391 0.000 1.204 22 P CA 0.013 62.821 63.100 -0.487 0.000 0.768 22 P CB 0.470 31.823 31.700 -0.580 0.000 0.842 23 I N 3.602 123.997 120.570 -0.292 0.000 2.378 23 I HA 0.314 4.484 4.170 0.000 0.000 0.291 23 I C 0.614 176.613 176.117 -0.196 0.000 0.992 23 I CA -0.747 60.377 61.300 -0.292 0.000 1.154 23 I CB 1.015 38.831 38.000 -0.307 0.000 1.315 23 I HN 0.444 nan 8.210 nan 0.000 0.448 24 N N 4.823 123.421 118.700 -0.170 0.000 3.100 24 N HA 0.461 5.201 4.740 0.000 0.000 0.344 24 N C 0.566 176.026 175.510 -0.083 0.000 1.413 24 N CA -0.449 52.533 53.050 -0.113 0.000 0.752 24 N CB 0.427 38.851 38.487 -0.106 0.000 1.519 24 N HN 0.374 nan 8.380 nan 0.000 0.620 25 A N -0.721 122.064 122.820 -0.059 0.000 2.121 25 A HA 0.122 4.442 4.320 0.000 0.000 0.218 25 A C 1.778 179.344 177.584 -0.030 0.000 1.154 25 A CA 0.790 52.803 52.037 -0.039 0.000 0.679 25 A CB -0.912 18.067 19.000 -0.034 0.000 0.795 25 A HN 0.554 nan 8.150 nan 0.000 0.458 26 L N -1.570 119.632 121.223 -0.035 0.000 2.513 26 L HA 0.041 4.381 4.340 0.000 0.000 0.222 26 L C 2.450 179.350 176.870 0.050 0.000 1.096 26 L CA 0.476 55.314 54.840 -0.004 0.000 0.857 26 L CB -0.337 41.694 42.059 -0.047 0.000 1.026 26 L HN 0.197 nan 8.230 nan 0.000 0.469 27 S N 0.900 116.598 115.700 -0.003 0.000 2.359 27 S HA -0.181 4.289 4.470 0.000 0.000 0.223 27 S C 1.731 176.382 174.600 0.085 0.000 1.039 27 S CA 1.715 59.910 58.200 -0.009 0.000 1.042 27 S CB -0.292 62.801 63.200 -0.177 0.000 0.915 27 S HN 0.474 nan 8.310 nan 0.000 0.439 28 N N 1.303 120.066 118.700 0.105 0.000 2.364 28 N HA -0.048 4.693 4.740 0.000 0.000 0.183 28 N C 1.824 177.363 175.510 0.049 0.000 1.022 28 N CA 1.215 54.344 53.050 0.132 0.000 0.883 28 N CB -0.432 38.115 38.487 0.100 0.000 0.965 28 N HN 0.586 nan 8.380 nan 0.000 0.438 29 S N -0.381 115.345 115.700 0.042 0.000 2.461 29 S HA -0.003 4.467 4.470 0.000 0.000 0.228 29 S C 1.824 176.436 174.600 0.021 0.000 1.005 29 S CA 0.228 58.424 58.200 -0.007 0.000 0.942 29 S CB -0.147 63.061 63.200 0.014 0.000 0.776 29 S HN 0.182 nan 8.310 nan 0.000 0.514 30 L N 0.237 121.486 121.223 0.043 0.000 2.145 30 L HA 0.568 4.909 4.340 0.000 0.000 0.201 30 L C 0.242 177.164 176.870 0.086 0.000 1.075 30 L CA 1.055 55.901 54.840 0.011 0.000 0.773 30 L CB 0.015 41.841 42.059 -0.389 0.000 0.936 30 L HN 0.505 nan 8.230 nan 0.000 0.451 31 L N -1.347 119.917 121.223 0.069 0.000 2.493 31 L HA 0.424 4.765 4.340 0.000 0.000 0.265 31 L C 0.280 177.172 176.870 0.036 0.000 0.954 31 L CA -0.529 54.346 54.840 0.058 0.000 0.844 31 L CB 1.400 43.530 42.059 0.119 0.000 1.302 31 L HN -0.118 nan 8.230 nan 0.000 0.405 32 R N 1.097 121.478 120.500 -0.199 0.000 2.250 32 R HA 0.202 4.543 4.340 0.000 0.000 0.194 32 R C 0.004 176.021 176.300 -0.473 0.000 0.927 32 R CA 0.352 56.218 56.100 -0.391 0.000 1.052 32 R CB 0.094 30.210 30.300 -0.308 0.000 1.055 32 R HN 0.680 nan 8.270 nan 0.000 0.537 33 H N 0.542 119.498 119.070 -0.190 0.000 2.799 33 H HA 0.137 4.694 4.556 0.000 0.000 0.225 33 H C 0.605 175.930 175.328 -0.005 0.000 1.904 33 H CA -0.222 55.756 56.048 -0.117 0.000 1.344 33 H CB -0.136 29.609 29.762 -0.029 0.000 1.744 33 H HN 0.315 nan 8.280 nan 0.000 0.542 34 H N 0.830 119.991 119.070 0.151 0.000 2.422 34 H HA -0.168 4.388 4.556 0.000 0.000 0.298 34 H C 1.893 177.297 175.328 0.127 0.000 1.098 34 H CA 1.085 57.198 56.048 0.108 0.000 1.315 34 H CB 0.312 30.111 29.762 0.063 0.000 1.382 34 H HN 0.623 nan 8.280 nan 0.000 0.523 35 N N 0.623 119.453 118.700 0.216 0.000 2.515 35 N HA -0.089 4.652 4.740 0.000 0.000 0.185 35 N C 1.242 176.855 175.510 0.171 0.000 1.109 35 N CA 0.545 53.696 53.050 0.168 0.000 0.903 35 N CB -0.063 38.486 38.487 0.103 0.000 0.969 35 N HN 0.293 nan 8.380 nan 0.000 0.450 36 M N 0.308 120.022 119.600 0.190 0.000 2.394 36 M HA 0.126 4.606 4.480 0.000 0.000 0.264 36 M C 0.096 176.575 176.300 0.298 0.000 1.073 36 M CA 0.286 55.708 55.300 0.204 0.000 1.111 36 M CB -0.208 32.506 32.600 0.190 0.000 1.401 36 M HN -0.101 nan 8.290 nan 0.000 0.448 37 V N 1.457 121.559 119.914 0.313 0.000 2.427 37 V HA 0.331 4.451 4.120 0.000 0.000 0.286 37 V C -0.660 175.710 176.094 0.460 0.000 1.034 37 V CA -0.798 61.710 62.300 0.345 0.000 0.893 37 V CB 0.880 32.879 31.823 0.294 0.000 0.982 37 V HN 0.381 nan 8.190 nan 0.000 0.452 38 Y N 2.483 122.942 120.300 0.264 0.000 2.615 38 Y HA 0.917 5.467 4.550 0.000 0.000 0.341 38 Y C -0.421 175.566 175.900 0.144 0.000 1.089 38 Y CA -1.676 56.588 58.100 0.273 0.000 1.049 38 Y CB 1.534 40.113 38.460 0.198 0.000 1.296 38 Y HN 0.685 nan 8.280 nan 0.000 0.470 39 A N 1.584 124.447 122.820 0.071 0.000 2.330 39 A HA 0.646 4.966 4.320 0.000 0.000 0.327 39 A C 0.026 177.663 177.584 0.089 0.000 1.155 39 A CA -0.357 51.524 52.037 -0.259 0.000 0.803 39 A CB 0.218 18.846 19.000 -0.620 0.000 1.208 39 A HN 1.091 nan 8.150 nan 0.000 0.477 40 T N 0.375 114.979 114.554 0.083 0.000 2.903 40 T HA 0.499 4.849 4.350 0.000 0.000 0.314 40 T C 0.444 175.201 174.700 0.095 0.000 1.078 40 T CA 0.490 62.706 62.100 0.193 0.000 1.114 40 T CB 0.508 69.509 68.868 0.221 0.000 0.987 40 T HN 1.478 nan 8.240 nan 0.000 0.548 41 T N -2.031 112.586 114.554 0.104 0.000 2.838 41 T HA 0.490 4.841 4.350 0.000 0.000 0.292 41 T C 1.345 176.079 174.700 0.056 0.000 1.113 41 T CA -0.273 61.870 62.100 0.072 0.000 1.008 41 T CB 1.238 70.156 68.868 0.083 0.000 1.259 41 T HN 0.765 nan 8.240 nan 0.000 0.520 42 S N -0.146 115.579 115.700 0.042 0.000 2.469 42 S HA -0.100 4.370 4.470 0.000 0.000 0.238 42 S C 1.779 176.383 174.600 0.007 0.000 0.998 42 S CA 0.522 58.735 58.200 0.022 0.000 0.957 42 S CB -0.559 62.653 63.200 0.019 0.000 0.764 42 S HN 0.663 nan 8.310 nan 0.000 0.514 43 R N 1.827 122.340 120.500 0.021 0.000 2.316 43 R HA 0.132 4.472 4.340 0.000 0.000 0.202 43 R C 1.904 178.205 176.300 0.001 0.000 1.029 43 R CA 0.963 57.069 56.100 0.011 0.000 1.018 43 R CB -0.298 30.017 30.300 0.025 0.000 0.888 43 R HN 0.664 nan 8.270 nan 0.000 0.471 44 S N -2.339 113.366 115.700 0.009 0.000 2.578 44 S HA 0.299 4.769 4.470 0.000 0.000 0.231 44 S C 1.605 176.190 174.600 -0.025 0.000 0.994 44 S CA 0.037 58.236 58.200 -0.001 0.000 0.956 44 S CB 0.926 64.143 63.200 0.027 0.000 0.870 44 S HN 0.186 nan 8.310 nan 0.000 0.494 45 A N 2.064 124.859 122.820 -0.042 0.000 1.933 45 A HA 0.215 4.535 4.320 0.000 0.000 0.218 45 A C 2.250 179.738 177.584 -0.160 0.000 1.175 45 A CA 1.511 53.497 52.037 -0.084 0.000 0.628 45 A CB -1.650 17.297 19.000 -0.088 0.000 0.814 45 A HN 0.677 nan 8.150 nan 0.000 0.444 46 G N 0.115 108.816 108.800 -0.165 0.000 2.469 46 G HA2 -0.233 3.728 3.960 0.000 0.000 0.220 46 G HA3 -0.233 3.728 3.960 0.000 0.000 0.220 46 G C 1.503 176.308 174.900 -0.159 0.000 1.136 46 G CA 1.151 46.127 45.100 -0.207 0.000 0.759 46 G HN 0.461 nan 8.290 nan 0.000 0.562 47 L N -0.418 120.748 121.223 -0.094 0.000 2.056 47 L HA -0.027 4.313 4.340 0.000 0.000 0.207 47 L C 2.912 179.755 176.870 -0.044 0.000 1.078 47 L CA 1.284 56.090 54.840 -0.056 0.000 0.749 47 L CB -0.499 41.541 42.059 -0.032 0.000 0.901 47 L HN 0.159 nan 8.230 nan 0.000 0.433 48 R N 0.798 121.268 120.500 -0.051 0.000 2.070 48 R HA -0.176 4.164 4.340 0.000 0.000 0.233 48 R C 2.287 178.558 176.300 -0.048 0.000 1.137 48 R CA 1.709 57.793 56.100 -0.026 0.000 0.945 48 R CB -0.587 29.700 30.300 -0.021 0.000 0.845 48 R HN 0.352 nan 8.270 nan 0.000 0.430 49 Q N 0.183 119.872 119.800 -0.185 0.000 2.062 49 Q HA -0.275 4.065 4.340 0.000 0.000 0.209 49 Q C 2.091 178.057 176.000 -0.057 0.000 0.996 49 Q CA 2.393 58.014 55.803 -0.303 0.000 0.859 49 Q CB -0.327 27.899 28.738 -0.853 0.000 0.920 49 Q HN 0.363 nan 8.270 nan 0.000 0.415 50 K N 1.107 121.466 120.400 -0.068 0.000 2.044 50 K HA -0.229 4.091 4.320 0.000 0.000 0.210 50 K C 1.940 178.621 176.600 0.136 0.000 1.049 50 K CA 1.631 57.945 56.287 0.045 0.000 0.927 50 K CB 0.002 32.506 32.500 0.007 0.000 0.713 50 K HN 0.028 nan 8.250 nan 0.000 0.443 51 K N 0.270 120.739 120.400 0.114 0.000 2.032 51 K HA -0.126 4.194 4.320 0.000 0.000 0.209 51 K C 1.938 178.728 176.600 0.316 0.000 1.048 51 K CA 1.802 58.191 56.287 0.170 0.000 0.927 51 K CB -0.151 32.422 32.500 0.122 0.000 0.712 51 K HN 0.285 nan 8.250 nan 0.000 0.441 52 V N -1.115 118.971 119.914 0.287 0.000 3.573 52 V HA 0.027 4.148 4.120 0.000 0.000 0.270 52 V C 0.300 176.553 176.094 0.264 0.000 1.221 52 V CA 0.442 62.953 62.300 0.351 0.000 1.163 52 V CB -0.221 31.765 31.823 0.272 0.000 0.847 52 V HN -0.002 nan 8.190 nan 0.000 0.468 53 T N 4.286 119.043 114.554 0.339 0.000 2.853 53 T HA 0.715 5.065 4.350 0.000 0.000 0.317 53 T C -0.733 174.132 174.700 0.274 0.000 1.059 53 T CA -0.081 62.190 62.100 0.284 0.000 0.954 53 T CB 0.025 69.171 68.868 0.463 0.000 0.994 53 T HN 0.631 nan 8.240 nan 0.000 0.479 54 F N -0.378 119.671 119.950 0.164 0.000 2.741 54 F HA 0.693 5.220 4.527 0.000 0.000 0.313 54 F C -1.128 174.706 175.800 0.056 0.000 1.153 54 F CA -1.612 56.446 58.000 0.097 0.000 0.931 54 F CB 0.834 39.883 39.000 0.082 0.000 1.335 54 F HN 0.154 nan 8.300 nan 0.000 0.460 55 D N 0.730 121.319 120.400 0.315 0.000 2.255 55 D HA 0.490 5.130 4.640 0.000 0.000 0.249 55 D C -0.966 175.483 176.300 0.250 0.000 1.078 55 D CA -0.093 54.011 54.000 0.173 0.000 0.896 55 D CB 1.030 41.899 40.800 0.114 0.000 1.194 55 D HN 0.568 nan 8.370 nan 0.000 0.429 56 R N 2.144 122.722 120.500 0.130 0.000 2.494 56 R HA 0.616 4.956 4.340 0.000 0.000 0.305 56 R C -0.799 175.533 176.300 0.053 0.000 0.959 56 R CA -0.527 55.649 56.100 0.126 0.000 0.864 56 R CB 1.273 31.623 30.300 0.083 0.000 1.159 56 R HN 0.374 nan 8.270 nan 0.000 0.446 57 L N 1.603 122.851 121.223 0.042 0.000 2.333 57 L HA 0.594 4.934 4.340 0.000 0.000 0.269 57 L C -0.432 176.437 176.870 -0.002 0.000 1.010 57 L CA -0.852 53.994 54.840 0.010 0.000 0.818 57 L CB 2.158 44.220 42.059 0.006 0.000 1.306 57 L HN 0.464 nan 8.230 nan 0.000 0.430 58 Q N 1.042 120.829 119.800 -0.021 0.000 2.315 58 Q HA 0.623 4.963 4.340 0.000 0.000 0.273 58 Q C -1.926 174.045 176.000 -0.048 0.000 1.053 58 Q CA -0.534 55.248 55.803 -0.035 0.000 0.817 58 Q CB 3.131 31.834 28.738 -0.058 0.000 1.326 58 Q HN 0.412 nan 8.270 nan 0.000 0.423 59 V N 5.211 125.101 119.914 -0.039 0.000 2.398 59 V HA 0.376 4.496 4.120 0.000 0.000 0.282 59 V C -0.872 175.221 176.094 -0.001 0.000 1.014 59 V CA -0.488 61.789 62.300 -0.038 0.000 0.838 59 V CB 1.354 33.150 31.823 -0.046 0.000 1.018 59 V HN 0.688 nan 8.190 nan 0.000 0.432 60 L N 5.617 126.796 121.223 -0.073 0.000 2.282 60 L HA 0.664 5.004 4.340 0.000 0.000 0.288 60 L C -0.037 176.849 176.870 0.027 0.000 1.033 60 L CA -0.457 54.300 54.840 -0.138 0.000 0.807 60 L CB 1.439 43.209 42.059 -0.483 0.000 1.209 60 L HN 0.659 nan 8.230 nan 0.000 0.423 61 D N 0.485 120.985 120.400 0.165 0.000 2.616 61 D HA 0.152 4.792 4.640 0.000 0.000 0.260 61 D C 0.173 176.546 176.300 0.123 0.000 1.158 61 D CA -0.603 53.469 54.000 0.121 0.000 1.085 61 D CB 0.833 41.704 40.800 0.119 0.000 1.222 61 D HN 0.339 nan 8.370 nan 0.000 0.626 62 D N -1.135 119.269 120.400 0.008 0.000 2.144 62 D HA -0.137 4.503 4.640 0.000 0.000 0.200 62 D C 1.748 178.047 176.300 -0.002 0.000 0.978 62 D CA 1.004 54.986 54.000 -0.031 0.000 0.833 62 D CB -0.047 40.682 40.800 -0.119 0.000 0.961 62 D HN 0.404 nan 8.370 nan 0.000 0.470 63 H N 0.092 119.226 119.070 0.107 0.000 2.319 63 H HA -0.165 4.391 4.556 0.000 0.000 0.299 63 H C 2.049 177.408 175.328 0.052 0.000 1.092 63 H CA 0.982 57.081 56.048 0.085 0.000 1.302 63 H CB -0.788 29.047 29.762 0.122 0.000 1.373 63 H HN 0.309 nan 8.280 nan 0.000 0.497 64 Y N 1.889 122.226 120.300 0.062 0.000 2.081 64 Y HA -0.263 4.287 4.550 0.000 0.000 0.280 64 Y C 2.750 178.597 175.900 -0.088 0.000 1.163 64 Y CA 1.799 59.802 58.100 -0.161 0.000 1.135 64 Y CB -0.151 38.126 38.460 -0.305 0.000 0.970 64 Y HN -0.040 nan 8.280 nan 0.000 0.498 65 R N -0.044 120.509 120.500 0.089 0.000 2.115 65 R HA -0.139 4.201 4.340 0.000 0.000 0.230 65 R C 1.778 178.045 176.300 -0.055 0.000 1.111 65 R CA 1.365 57.467 56.100 0.004 0.000 0.976 65 R CB -0.250 30.096 30.300 0.076 0.000 0.870 65 R HN 0.431 nan 8.270 nan 0.000 0.445 66 D N -0.021 120.370 120.400 -0.015 0.000 2.097 66 D HA -0.119 4.522 4.640 0.000 0.000 0.197 66 D C 1.955 178.233 176.300 -0.038 0.000 0.984 66 D CA 1.069 55.065 54.000 -0.006 0.000 0.826 66 D CB -0.201 40.627 40.800 0.047 0.000 0.973 66 D HN -0.013 nan 8.370 nan 0.000 0.460 67 V N 1.255 121.126 119.914 -0.071 0.000 2.343 67 V HA -0.212 3.908 4.120 0.000 0.000 0.247 67 V C 2.478 178.499 176.094 -0.122 0.000 1.051 67 V CA 1.054 63.299 62.300 -0.092 0.000 1.036 67 V CB -0.477 31.260 31.823 -0.145 0.000 0.654 67 V HN 0.133 nan 8.190 nan 0.000 0.451 68 L N 0.567 121.649 121.223 -0.235 0.000 2.046 68 L HA -0.178 4.162 4.340 0.000 0.000 0.208 68 L C 2.422 179.221 176.870 -0.118 0.000 1.077 68 L CA 2.295 56.996 54.840 -0.231 0.000 0.747 68 L CB -0.852 40.998 42.059 -0.348 0.000 0.896 68 L HN 0.294 nan 8.230 nan 0.000 0.432 69 K N -0.431 119.916 120.400 -0.088 0.000 2.032 69 K HA -0.227 4.093 4.320 0.000 0.000 0.209 69 K C 1.933 178.513 176.600 -0.032 0.000 1.048 69 K CA 1.995 58.254 56.287 -0.048 0.000 0.927 69 K CB -0.163 32.319 32.500 -0.030 0.000 0.712 69 K HN 0.517 nan 8.250 nan 0.000 0.441 70 E N 0.230 120.416 120.200 -0.023 0.000 2.058 70 E HA -0.228 4.122 4.350 0.000 0.000 0.194 70 E C 2.134 178.731 176.600 -0.005 0.000 0.997 70 E CA 1.860 58.259 56.400 -0.003 0.000 0.801 70 E CB -0.144 29.567 29.700 0.018 0.000 0.746 70 E HN 0.363 nan 8.360 nan 0.000 0.450 71 M N 0.606 120.201 119.600 -0.008 0.000 2.108 71 M HA -0.195 4.285 4.480 0.000 0.000 0.261 71 M C 2.186 178.457 176.300 -0.048 0.000 1.066 71 M CA 1.509 56.795 55.300 -0.023 0.000 1.107 71 M CB -0.151 32.435 32.600 -0.024 0.000 1.356 71 M HN -0.037 nan 8.290 nan 0.000 0.406 72 K N 0.163 120.532 120.400 -0.050 0.000 2.057 72 K HA -0.086 4.234 4.320 0.000 0.000 0.207 72 K C 2.126 178.708 176.600 -0.030 0.000 1.049 72 K CA 1.369 57.629 56.287 -0.045 0.000 0.931 72 K CB -0.261 32.212 32.500 -0.045 0.000 0.714 72 K HN 0.302 nan 8.250 nan 0.000 0.440 73 A N 1.952 124.758 122.820 -0.024 0.000 1.883 73 A HA -0.234 4.087 4.320 0.000 0.000 0.217 73 A C 1.904 179.477 177.584 -0.018 0.000 1.186 73 A CA 1.728 53.756 52.037 -0.016 0.000 0.624 73 A CB -0.344 18.650 19.000 -0.010 0.000 0.822 73 A HN 0.207 nan 8.150 nan 0.000 0.444 74 K N -0.390 119.995 120.400 -0.024 0.000 2.097 74 K HA -0.009 4.312 4.320 0.000 0.000 0.206 74 K C 2.200 178.776 176.600 -0.039 0.000 1.049 74 K CA 1.072 57.339 56.287 -0.033 0.000 0.933 74 K CB -0.305 32.168 32.500 -0.044 0.000 0.717 74 K HN 0.439 nan 8.250 nan 0.000 0.442 75 A N 1.395 124.190 122.820 -0.042 0.000 2.015 75 A HA -0.136 4.184 4.320 0.000 0.000 0.219 75 A C 2.078 179.653 177.584 -0.015 0.000 1.163 75 A CA 1.769 53.786 52.037 -0.033 0.000 0.646 75 A CB -0.551 18.430 19.000 -0.033 0.000 0.806 75 A HN 0.377 nan 8.150 nan 0.000 0.448 76 S N -0.286 115.406 115.700 -0.013 0.000 2.507 76 S HA -0.111 4.359 4.470 0.000 0.000 0.235 76 S C 1.613 176.210 174.600 -0.005 0.000 0.988 76 S CA 1.584 59.781 58.200 -0.005 0.000 0.944 76 S CB -1.017 62.180 63.200 -0.005 0.000 0.762 76 S HN 0.771 nan 8.310 nan 0.000 0.526 77 T N -0.982 113.565 114.554 -0.011 0.000 3.081 77 T HA 0.323 4.674 4.350 0.000 0.000 0.250 77 T C 0.422 175.115 174.700 -0.012 0.000 1.100 77 T CA -0.237 61.857 62.100 -0.011 0.000 1.038 77 T CB -0.310 68.549 68.868 -0.014 0.000 0.962 77 T HN 0.166 nan 8.240 nan 0.000 0.516 78 V N 1.868 121.774 119.914 -0.013 0.000 2.607 78 V HA 0.455 4.576 4.120 0.000 0.000 0.289 78 V C 0.016 176.109 176.094 -0.003 0.000 1.053 78 V CA -0.913 61.378 62.300 -0.015 0.000 0.996 78 V CB 1.447 33.256 31.823 -0.024 0.000 0.995 78 V HN 0.413 nan 8.190 nan 0.000 0.476 79 K N 3.252 123.650 120.400 -0.003 0.000 2.376 79 K HA 0.791 5.112 4.320 0.000 0.000 0.257 79 K C -0.860 175.743 176.600 0.005 0.000 0.939 79 K CA -0.440 55.850 56.287 0.005 0.000 0.809 79 K CB 1.705 34.208 32.500 0.006 0.000 1.121 79 K HN 0.839 nan 8.250 nan 0.000 0.425 80 A N 3.762 126.590 122.820 0.012 0.000 2.401 80 A HA 0.513 4.833 4.320 0.000 0.000 0.310 80 A C -1.334 176.266 177.584 0.026 0.000 1.075 80 A CA -0.984 51.061 52.037 0.013 0.000 0.746 80 A CB 1.050 20.053 19.000 0.005 0.000 1.277 80 A HN 0.852 nan 8.150 nan 0.000 0.425 81 K N 1.312 121.731 120.400 0.031 0.000 2.098 81 K HA 0.690 5.010 4.320 0.000 0.000 0.258 81 K C -0.872 175.755 176.600 0.044 0.000 0.973 81 K CA -0.746 55.561 56.287 0.034 0.000 0.898 81 K CB 1.030 33.546 32.500 0.027 0.000 1.057 81 K HN 0.335 nan 8.250 nan 0.000 0.447 82 L N 2.730 123.976 121.223 0.037 0.000 2.416 82 L HA 0.152 4.492 4.340 0.000 0.000 0.272 82 L C -0.564 176.289 176.870 -0.028 0.000 1.161 82 L CA -0.202 54.649 54.840 0.019 0.000 0.845 82 L CB 0.328 42.396 42.059 0.014 0.000 1.119 82 L HN 0.620 nan 8.230 nan 0.000 0.464 83 L N 3.074 124.264 121.223 -0.055 0.000 2.418 83 L HA 0.354 4.694 4.340 0.000 0.000 0.265 83 L C 0.624 177.383 176.870 -0.185 0.000 1.143 83 L CA 0.294 55.077 54.840 -0.095 0.000 0.809 83 L CB 1.211 43.215 42.059 -0.091 0.000 1.124 83 L HN 0.844 nan 8.230 nan 0.000 0.456 84 S N 1.102 116.706 115.700 -0.160 0.000 2.600 84 S HA 0.199 4.669 4.470 0.000 0.000 0.265 84 S C 1.316 175.773 174.600 -0.237 0.000 1.325 84 S CA -0.649 57.437 58.200 -0.189 0.000 1.002 84 S CB 0.782 63.907 63.200 -0.124 0.000 0.921 84 S HN 0.337 nan 8.310 nan 0.000 0.554 85 V N 1.704 121.452 119.914 -0.277 0.000 2.282 85 V HA -0.188 3.932 4.120 0.000 0.000 0.249 85 V C 2.647 178.623 176.094 -0.197 0.000 1.057 85 V CA 2.454 64.575 62.300 -0.298 0.000 1.032 85 V CB -1.408 30.200 31.823 -0.357 0.000 0.645 85 V HN 0.864 nan 8.190 nan 0.000 0.447 86 E N 0.237 120.350 120.200 -0.145 0.000 2.038 86 E HA -0.215 4.135 4.350 0.000 0.000 0.195 86 E C 2.195 178.723 176.600 -0.119 0.000 1.000 86 E CA 1.573 57.907 56.400 -0.111 0.000 0.803 86 E CB -0.355 29.296 29.700 -0.081 0.000 0.750 86 E HN 0.680 nan 8.360 nan 0.000 0.448 87 E N 0.191 120.314 120.200 -0.128 0.000 2.058 87 E HA -0.227 4.123 4.350 0.000 0.000 0.194 87 E C 2.046 178.533 176.600 -0.189 0.000 0.997 87 E CA 1.159 57.472 56.400 -0.144 0.000 0.801 87 E CB -0.223 29.395 29.700 -0.136 0.000 0.746 87 E HN 0.292 nan 8.360 nan 0.000 0.450 88 A N 0.640 123.343 122.820 -0.195 0.000 1.902 88 A HA -0.213 4.108 4.320 0.000 0.000 0.217 88 A C 2.434 179.917 177.584 -0.169 0.000 1.181 88 A CA 1.315 53.232 52.037 -0.200 0.000 0.623 88 A CB -0.913 17.981 19.000 -0.177 0.000 0.818 88 A HN 0.387 nan 8.150 nan 0.000 0.443 89 C N -0.385 118.828 119.300 -0.144 0.000 2.413 89 C HA -0.071 4.389 4.460 0.000 0.000 0.276 89 C C 2.588 177.509 174.990 -0.115 0.000 1.248 89 C CA 1.270 60.219 59.018 -0.115 0.000 1.742 89 C CB -0.772 26.905 27.740 -0.105 0.000 2.017 89 C HN 0.479 nan 8.230 nan 0.000 0.481 90 K N 0.833 121.165 120.400 -0.114 0.000 2.362 90 K HA 0.056 4.376 4.320 0.000 0.000 0.200 90 K C 1.421 177.973 176.600 -0.080 0.000 1.046 90 K CA 0.879 57.113 56.287 -0.088 0.000 0.952 90 K CB -0.426 32.031 32.500 -0.072 0.000 0.753 90 K HN 0.560 nan 8.250 nan 0.000 0.466 91 L N 0.714 121.846 121.223 -0.151 0.000 2.591 91 L HA 0.027 4.367 4.340 0.000 0.000 0.228 91 L C 0.355 177.136 176.870 -0.149 0.000 1.133 91 L CA 0.121 54.849 54.840 -0.186 0.000 0.880 91 L CB -0.153 41.682 42.059 -0.373 0.000 1.033 91 L HN -0.140 nan 8.230 nan 0.000 0.450 92 T N 1.874 116.341 114.554 -0.144 0.000 2.761 92 T HA 0.222 4.572 4.350 0.000 0.000 0.296 92 T C -2.300 172.239 174.700 -0.270 0.000 0.934 92 T CA -1.154 60.843 62.100 -0.172 0.000 1.091 92 T CB 1.000 69.785 68.868 -0.139 0.000 0.896 92 T HN -0.142 nan 8.240 nan 0.000 0.515 93 P HA 0.115 nan 4.420 nan 0.000 0.266 93 P C -1.931 175.034 177.300 -0.558 0.000 1.195 93 P CA -1.296 61.484 63.100 -0.532 0.000 0.768 93 P CB 0.169 31.450 31.700 -0.698 0.000 0.838 94 P HA -0.143 nan 4.420 nan 0.000 0.220 94 P C 0.726 177.962 177.300 -0.106 0.000 1.148 94 P CA 1.529 64.479 63.100 -0.249 0.000 0.803 94 P CB -0.419 31.168 31.700 -0.188 0.000 0.782 95 H N -3.845 115.140 119.070 -0.143 0.000 2.553 95 H HA 0.302 4.858 4.556 0.000 0.000 0.265 95 H C 0.913 176.181 175.328 -0.099 0.000 0.964 95 H CA -0.354 55.636 56.048 -0.096 0.000 1.156 95 H CB -0.552 29.165 29.762 -0.075 0.000 1.411 95 H HN -0.123 nan 8.280 nan 0.000 0.558 96 S N 1.116 116.589 115.700 -0.379 0.000 2.571 96 S HA 0.117 4.587 4.470 0.000 0.000 0.298 96 S C 0.808 175.312 174.600 -0.161 0.000 1.280 96 S CA -0.197 57.827 58.200 -0.292 0.000 1.052 96 S CB -0.132 62.906 63.200 -0.269 0.000 0.799 96 S HN 0.658 nan 8.310 nan 0.000 0.501 97 A N 5.180 127.898 122.820 -0.171 0.000 2.546 97 A HA 0.241 4.562 4.320 0.000 0.000 0.243 97 A C 0.629 178.187 177.584 -0.043 0.000 1.063 97 A CA -0.155 51.830 52.037 -0.086 0.000 0.757 97 A CB -0.106 18.845 19.000 -0.082 0.000 0.991 97 A HN 0.894 nan 8.150 nan 0.000 0.503 98 K N 2.235 122.609 120.400 -0.043 0.000 2.336 98 K HA 0.255 4.576 4.320 0.000 0.000 0.262 98 K C 0.347 176.861 176.600 -0.144 0.000 0.992 98 K CA 0.101 56.330 56.287 -0.096 0.000 0.927 98 K CB 0.347 32.794 32.500 -0.088 0.000 0.956 98 K HN 0.438 nan 8.250 nan 0.000 0.495 99 S N 0.365 115.853 115.700 -0.354 0.000 2.585 99 S HA 0.055 4.525 4.470 0.000 0.000 0.273 99 S C 0.543 174.946 174.600 -0.328 0.000 1.339 99 S CA -0.528 57.419 58.200 -0.421 0.000 1.028 99 S CB 0.598 63.110 63.200 -1.147 0.000 0.906 99 S HN 0.669 nan 8.310 nan 0.000 0.528 100 K N 2.086 122.307 120.400 -0.298 0.000 2.525 100 K HA 0.075 4.395 4.320 0.000 0.000 0.192 100 K C -0.213 175.971 176.600 -0.692 0.000 1.029 100 K CA 0.666 56.670 56.287 -0.471 0.000 1.029 100 K CB -0.040 32.123 32.500 -0.560 0.000 0.814 100 K HN 0.571 nan 8.250 nan 0.000 0.503 101 F N 0.562 120.330 119.950 -0.304 0.000 2.750 101 F HA 0.247 4.774 4.527 0.000 0.000 0.297 101 F C 0.905 176.636 175.800 -0.116 0.000 1.138 101 F CA -0.549 57.305 58.000 -0.245 0.000 1.346 101 F CB 0.693 39.409 39.000 -0.473 0.000 0.965 101 F HN 0.016 nan 8.300 nan 0.000 0.514 102 G N 1.229 109.983 108.800 -0.077 0.000 2.324 102 G HA2 -0.265 3.695 3.960 0.000 0.000 0.292 102 G HA3 -0.265 3.695 3.960 0.000 0.000 0.292 102 G C -0.589 174.399 174.900 0.147 0.000 1.079 102 G CA 0.330 45.439 45.100 0.015 0.000 1.026 102 G HN 0.650 nan 8.290 nan 0.000 0.506 103 Y N -3.016 117.284 120.300 0.000 0.000 2.702 103 Y HA 0.731 5.281 4.550 0.000 0.000 0.336 103 Y C 0.230 176.135 175.900 0.007 0.000 1.203 103 Y CA -1.038 57.065 58.100 0.006 0.000 1.072 103 Y CB 0.380 38.849 38.460 0.015 0.000 1.327 103 Y HN 0.885 nan 8.280 nan 0.000 0.456 104 G N -0.279 108.611 108.800 0.149 0.000 2.818 104 G HA2 0.572 4.532 3.960 0.000 0.000 0.286 104 G HA3 0.572 4.532 3.960 0.000 0.000 0.286 104 G C 0.146 175.097 174.900 0.085 0.000 1.364 104 G CA -0.756 44.365 45.100 0.035 0.000 0.938 104 G HN 1.284 nan 8.290 nan 0.000 0.490 105 A N -0.183 122.640 122.820 0.005 0.000 1.940 105 A HA -0.048 4.272 4.320 0.000 0.000 0.219 105 A C 2.156 179.722 177.584 -0.030 0.000 1.176 105 A CA 2.138 54.159 52.037 -0.027 0.000 0.631 105 A CB -0.393 18.542 19.000 -0.108 0.000 0.814 105 A HN 0.581 nan 8.150 nan 0.000 0.446 106 K N -0.166 120.219 120.400 -0.025 0.000 2.148 106 K HA -0.086 4.234 4.320 0.000 0.000 0.204 106 K C 1.386 177.982 176.600 -0.008 0.000 1.050 106 K CA 1.265 57.532 56.287 -0.034 0.000 0.942 106 K CB -0.097 32.385 32.500 -0.030 0.000 0.724 106 K HN 0.466 nan 8.250 nan 0.000 0.446 107 D N 0.228 120.651 120.400 0.038 0.000 2.178 107 D HA -0.127 4.513 4.640 0.000 0.000 0.202 107 D C 1.863 178.170 176.300 0.012 0.000 0.974 107 D CA 1.002 55.029 54.000 0.044 0.000 0.841 107 D CB 0.026 40.895 40.800 0.116 0.000 0.953 107 D HN -0.033 nan 8.370 nan 0.000 0.478 108 V N 1.268 121.206 119.914 0.040 0.000 2.323 108 V HA -0.183 3.937 4.120 0.000 0.000 0.244 108 V C 2.521 178.587 176.094 -0.047 0.000 1.041 108 V CA 1.397 63.697 62.300 -0.001 0.000 1.025 108 V CB -0.252 31.601 31.823 0.050 0.000 0.656 108 V HN 0.105 nan 8.190 nan 0.000 0.451 109 R N 1.158 121.621 120.500 -0.060 0.000 2.081 109 R HA -0.102 4.238 4.340 0.000 0.000 0.235 109 R C 1.683 177.944 176.300 -0.065 0.000 1.131 109 R CA 1.731 57.779 56.100 -0.085 0.000 0.960 109 R CB -0.456 29.768 30.300 -0.127 0.000 0.856 109 R HN 0.796 nan 8.270 nan 0.000 0.436 110 N N 0.768 119.437 118.700 -0.051 0.000 2.268 110 N HA 0.047 4.788 4.740 0.000 0.000 0.204 110 N C 0.001 175.487 175.510 -0.039 0.000 1.124 110 N CA -0.043 52.983 53.050 -0.041 0.000 0.838 110 N CB 0.416 38.884 38.487 -0.032 0.000 0.994 110 N HN 0.050 nan 8.380 nan 0.000 0.489 111 L N 0.738 121.932 121.223 -0.048 0.000 4.140 111 L HA -0.234 4.106 4.340 0.000 0.000 0.406 111 L C 0.327 177.164 176.870 -0.055 0.000 1.175 111 L CA 0.296 55.103 54.840 -0.056 0.000 0.939 111 L CB -2.431 39.597 42.059 -0.052 0.000 2.105 111 L HN 0.455 nan 8.230 nan 0.000 0.803 112 S N -0.660 115.010 115.700 -0.051 0.000 2.561 112 S HA 0.100 4.570 4.470 0.000 0.000 0.294 112 S C 1.446 176.001 174.600 -0.075 0.000 1.294 112 S CA 0.199 58.369 58.200 -0.051 0.000 1.055 112 S CB 1.264 64.442 63.200 -0.037 0.000 0.819 112 S HN 0.468 nan 8.310 nan 0.000 0.503 113 S N 2.525 118.192 115.700 -0.055 0.000 2.561 113 S HA 0.010 4.480 4.470 0.000 0.000 0.225 113 S C 1.466 176.024 174.600 -0.069 0.000 0.977 113 S CA 0.397 58.566 58.200 -0.053 0.000 0.926 113 S CB -0.290 62.892 63.200 -0.030 0.000 0.769 113 S HN 0.870 nan 8.310 nan 0.000 0.533 114 K N 1.855 122.205 120.400 -0.085 0.000 2.057 114 K HA 0.035 4.355 4.320 0.000 0.000 0.206 114 K C 2.199 178.629 176.600 -0.284 0.000 1.050 114 K CA 1.100 57.328 56.287 -0.099 0.000 0.935 114 K CB -0.470 32.008 32.500 -0.038 0.000 0.715 114 K HN 0.385 nan 8.250 nan 0.000 0.439 115 A N 0.771 123.318 122.820 -0.455 0.000 1.840 115 A HA -0.059 4.261 4.320 0.000 0.000 0.214 115 A C 2.230 179.557 177.584 -0.427 0.000 1.198 115 A CA 1.365 52.865 52.037 -0.894 0.000 0.608 115 A CB -0.743 17.883 19.000 -0.623 0.000 0.839 115 A HN 0.138 nan 8.150 nan 0.000 0.443 116 V N 1.272 121.055 119.914 -0.219 0.000 2.324 116 V HA -0.363 3.757 4.120 0.000 0.000 0.250 116 V C 2.216 178.311 176.094 0.001 0.000 1.060 116 V CA 2.385 64.624 62.300 -0.101 0.000 1.042 116 V CB -1.271 30.533 31.823 -0.031 0.000 0.650 116 V HN 0.618 nan 8.190 nan 0.000 0.450 117 N N -1.169 117.528 118.700 -0.005 0.000 2.084 117 N HA -0.222 4.519 4.740 0.000 0.000 0.190 117 N C 2.006 177.545 175.510 0.048 0.000 1.030 117 N CA 1.318 54.397 53.050 0.048 0.000 0.849 117 N CB -0.290 38.208 38.487 0.017 0.000 1.012 117 N HN 0.619 nan 8.380 nan 0.000 0.423 118 H N 1.485 120.494 119.070 -0.102 0.000 2.321 118 H HA -0.072 4.484 4.556 0.000 0.000 0.300 118 H C 2.171 177.466 175.328 -0.055 0.000 1.087 118 H CA 1.322 57.321 56.048 -0.082 0.000 1.319 118 H CB -0.043 29.685 29.762 -0.057 0.000 1.379 118 H HN 0.169 nan 8.280 nan 0.000 0.501 119 I N 0.510 120.984 120.570 -0.161 0.000 2.208 119 I HA -0.326 3.844 4.170 0.000 0.000 0.245 119 I C 2.663 178.672 176.117 -0.179 0.000 1.097 119 I CA 1.233 62.420 61.300 -0.189 0.000 1.363 119 I CB -0.451 37.441 38.000 -0.181 0.000 1.051 119 I HN 0.377 nan 8.210 nan 0.000 0.413 120 H N 0.211 119.229 119.070 -0.086 0.000 2.387 120 H HA -0.121 4.435 4.556 0.000 0.000 0.299 120 H C 2.599 177.927 175.328 0.001 0.000 1.090 120 H CA 1.917 57.950 56.048 -0.025 0.000 1.332 120 H CB -0.150 29.587 29.762 -0.043 0.000 1.386 120 H HN 0.425 nan 8.280 nan 0.000 0.516 121 S N 0.067 115.777 115.700 0.018 0.000 2.387 121 S HA -0.065 4.405 4.470 0.000 0.000 0.226 121 S C 2.369 176.900 174.600 -0.116 0.000 1.026 121 S CA 0.956 59.127 58.200 -0.048 0.000 0.972 121 S CB -0.765 62.384 63.200 -0.085 0.000 0.814 121 S HN 0.078 nan 8.310 nan 0.000 0.477 122 V N 1.051 120.822 119.914 -0.237 0.000 2.332 122 V HA -0.150 3.970 4.120 0.000 0.000 0.248 122 V C 2.246 178.323 176.094 -0.030 0.000 1.055 122 V CA 1.955 64.139 62.300 -0.194 0.000 1.038 122 V CB -1.024 30.653 31.823 -0.244 0.000 0.651 122 V HN 0.739 nan 8.190 nan 0.000 0.450 123 W N 1.404 122.618 121.300 -0.143 0.000 2.381 123 W HA -0.195 4.466 4.660 0.000 0.000 0.301 123 W C 2.510 178.995 176.519 -0.057 0.000 1.205 123 W CA 2.130 59.419 57.345 -0.092 0.000 1.285 123 W CB -0.070 29.335 29.460 -0.090 0.000 1.133 123 W HN 0.269 nan 8.180 nan 0.000 0.521 124 K N 0.743 121.197 120.400 0.090 0.000 2.097 124 K HA -0.254 4.066 4.320 0.000 0.000 0.206 124 K C 1.714 178.256 176.600 -0.096 0.000 1.049 124 K CA 2.197 58.482 56.287 -0.003 0.000 0.933 124 K CB -0.606 31.931 32.500 0.063 0.000 0.717 124 K HN -0.029 nan 8.250 nan 0.000 0.442 125 D N 0.477 120.822 120.400 -0.090 0.000 2.104 125 D HA -0.169 4.471 4.640 0.000 0.000 0.194 125 D C 1.982 178.189 176.300 -0.156 0.000 0.994 125 D CA 1.295 55.232 54.000 -0.105 0.000 0.830 125 D CB 0.002 40.746 40.800 -0.094 0.000 0.959 125 D HN 0.223 nan 8.370 nan 0.000 0.452 126 L N -0.043 121.047 121.223 -0.222 0.000 2.079 126 L HA -0.161 4.179 4.340 0.000 0.000 0.210 126 L C 2.457 179.126 176.870 -0.334 0.000 1.081 126 L CA 0.691 55.354 54.840 -0.295 0.000 0.752 126 L CB -0.364 41.450 42.059 -0.408 0.000 0.896 126 L HN 0.247 nan 8.230 nan 0.000 0.433 127 L N -0.916 120.070 121.223 -0.394 0.000 2.217 127 L HA -0.160 4.180 4.340 0.000 0.000 0.211 127 L C 2.128 178.893 176.870 -0.175 0.000 1.107 127 L CA 1.110 55.764 54.840 -0.311 0.000 0.783 127 L CB -0.327 41.550 42.059 -0.303 0.000 0.919 127 L HN 0.293 nan 8.230 nan 0.000 0.442 128 E N -1.179 118.936 120.200 -0.141 0.000 2.340 128 E HA -0.035 4.315 4.350 0.000 0.000 0.194 128 E C 0.140 176.692 176.600 -0.079 0.000 0.996 128 E CA 0.085 56.431 56.400 -0.090 0.000 0.869 128 E CB 0.546 30.206 29.700 -0.067 0.000 0.835 128 E HN 0.157 nan 8.360 nan 0.000 0.493 129 D N -0.131 120.213 120.400 -0.093 0.000 2.696 129 D HA 0.057 4.697 4.640 0.000 0.000 0.251 129 D C -0.248 176.000 176.300 -0.087 0.000 1.188 129 D CA -0.257 53.699 54.000 -0.074 0.000 0.876 129 D CB 1.564 42.326 40.800 -0.063 0.000 1.334 129 D HN -0.039 nan 8.370 nan 0.000 0.540 130 T N 0.371 114.882 114.554 -0.070 0.000 3.182 130 T HA 0.241 4.591 4.350 0.000 0.000 0.277 130 T C 1.117 175.787 174.700 -0.050 0.000 1.013 130 T CA 0.284 62.342 62.100 -0.070 0.000 0.900 130 T CB -0.225 68.605 68.868 -0.063 0.000 1.098 130 T HN 0.213 nan 8.240 nan 0.000 0.543 131 V N -3.417 116.473 119.914 -0.041 0.000 3.368 131 V HA 0.372 4.493 4.120 0.000 0.000 0.255 131 V C 0.525 176.610 176.094 -0.015 0.000 1.466 131 V CA -0.178 62.108 62.300 -0.024 0.000 1.095 131 V CB -0.221 31.591 31.823 -0.019 0.000 0.899 131 V HN 0.285 nan 8.190 nan 0.000 0.440 132 T N 4.492 119.034 114.554 -0.020 0.000 2.752 132 T HA 0.379 4.729 4.350 0.000 0.000 0.295 132 T C -2.538 172.161 174.700 -0.002 0.000 0.923 132 T CA -0.581 61.517 62.100 -0.005 0.000 1.112 132 T CB 0.811 69.676 68.868 -0.006 0.000 0.884 132 T HN 0.285 nan 8.240 nan 0.000 0.525 133 P HA 0.073 nan 4.420 nan 0.000 0.263 133 P C -0.294 177.011 177.300 0.009 0.000 1.175 133 P CA 0.145 63.264 63.100 0.030 0.000 0.761 133 P CB 0.290 32.051 31.700 0.102 0.000 0.794 134 I N 2.688 123.247 120.570 -0.019 0.000 2.365 134 I HA 0.138 4.308 4.170 0.000 0.000 0.291 134 I C 0.954 177.064 176.117 -0.012 0.000 1.004 134 I CA -0.441 60.851 61.300 -0.012 0.000 1.311 134 I CB 0.828 38.807 38.000 -0.035 0.000 1.401 134 I HN 0.322 nan 8.210 nan 0.000 0.491 135 D N 4.385 124.794 120.400 0.015 0.000 2.423 135 D HA 0.173 4.813 4.640 0.000 0.000 0.238 135 D C -0.297 175.983 176.300 -0.034 0.000 1.142 135 D CA 0.388 54.387 54.000 -0.002 0.000 0.884 135 D CB 0.760 41.576 40.800 0.026 0.000 1.199 135 D HN 0.622 nan 8.370 nan 0.000 0.438 136 T N -0.877 113.628 114.554 -0.082 0.000 2.896 136 T HA 0.580 4.930 4.350 0.000 0.000 0.297 136 T C -0.529 174.028 174.700 -0.237 0.000 1.108 136 T CA -0.991 61.019 62.100 -0.150 0.000 1.004 136 T CB 1.572 70.373 68.868 -0.112 0.000 1.159 136 T HN 0.211 nan 8.240 nan 0.000 0.499 137 T N 2.277 116.529 114.554 -0.503 0.000 2.795 137 T HA 0.574 4.925 4.350 0.000 0.000 0.282 137 T C -0.351 174.069 174.700 -0.467 0.000 0.980 137 T CA -0.568 61.199 62.100 -0.555 0.000 1.012 137 T CB 0.698 69.050 68.868 -0.860 0.000 0.936 137 T HN 0.731 nan 8.240 nan 0.000 0.457 138 I N 4.567 125.043 120.570 -0.156 0.000 2.339 138 I HA 0.492 4.663 4.170 0.000 0.000 0.290 138 I C -0.723 175.426 176.117 0.054 0.000 0.994 138 I CA -0.652 60.651 61.300 0.005 0.000 1.191 138 I CB 0.431 38.489 38.000 0.097 0.000 1.343 138 I HN 0.429 nan 8.210 nan 0.000 0.458 139 M N 6.334 126.022 119.600 0.148 0.000 2.644 139 M HA 0.537 5.017 4.480 0.000 0.000 0.304 139 M C -0.508 175.865 176.300 0.122 0.000 1.215 139 M CA -0.708 54.686 55.300 0.156 0.000 0.871 139 M CB 1.918 34.674 32.600 0.259 0.000 1.740 139 M HN 0.590 nan 8.290 nan 0.000 0.464 140 A N 1.853 124.723 122.820 0.084 0.000 2.289 140 A HA 0.444 4.765 4.320 0.000 0.000 0.298 140 A C -0.151 177.476 177.584 0.070 0.000 1.208 140 A CA -0.530 51.547 52.037 0.067 0.000 0.845 140 A CB 0.208 19.233 19.000 0.043 0.000 1.125 140 A HN 0.759 nan 8.150 nan 0.000 0.517 141 K N 2.153 122.596 120.400 0.072 0.000 2.401 141 K HA 0.051 4.372 4.320 0.000 0.000 0.278 141 K C -0.615 175.996 176.600 0.019 0.000 1.018 141 K CA 0.310 56.624 56.287 0.046 0.000 0.981 141 K CB 0.370 32.904 32.500 0.058 0.000 0.933 141 K HN 0.753 nan 8.250 nan 0.000 0.477 142 N N 3.335 122.015 118.700 -0.033 0.000 2.558 142 N HA 0.082 4.823 4.740 0.000 0.000 0.233 142 N C -1.101 174.273 175.510 -0.226 0.000 1.038 142 N CA -0.317 52.671 53.050 -0.104 0.000 0.934 142 N CB 0.876 39.297 38.487 -0.110 0.000 1.175 142 N HN 0.416 nan 8.380 nan 0.000 0.512 143 E N 0.720 120.763 120.200 -0.262 0.000 2.299 143 E HA 0.513 4.863 4.350 0.000 0.000 0.265 143 E C -0.831 175.286 176.600 -0.805 0.000 0.911 143 E CA -1.076 55.026 56.400 -0.496 0.000 0.789 143 E CB 2.362 31.811 29.700 -0.420 0.000 1.246 143 E HN 0.052 nan 8.360 nan 0.000 0.427 144 V N 2.282 121.580 119.914 -1.026 0.000 2.483 144 V HA 0.521 4.642 4.120 0.000 0.000 0.295 144 V C -0.934 174.460 176.094 -1.167 0.000 1.035 144 V CA -0.337 61.390 62.300 -0.955 0.000 0.896 144 V CB 0.430 31.846 31.823 -0.678 0.000 0.986 144 V HN 0.509 nan 8.190 nan 0.000 0.447 145 F N 1.937 121.557 119.950 -0.550 0.000 2.715 145 F HA 0.594 5.121 4.527 0.000 0.000 0.318 145 F C -0.027 175.644 175.800 -0.215 0.000 1.141 145 F CA -0.772 57.005 58.000 -0.371 0.000 0.950 145 F CB 1.260 40.031 39.000 -0.380 0.000 1.374 145 F HN 0.562 nan 8.300 nan 0.000 0.477 146 C N 2.761 122.205 119.300 0.240 0.000 2.341 146 C HA 0.804 5.264 4.460 0.000 0.000 0.338 146 C C 0.137 175.363 174.990 0.394 0.000 1.257 146 C CA -0.705 58.481 59.018 0.281 0.000 1.883 146 C CB 0.002 27.843 27.740 0.168 0.000 2.334 146 C HN 0.789 nan 8.230 nan 0.000 0.524 147 V N 4.839 124.992 119.914 0.400 0.000 2.788 147 V HA 0.273 4.393 4.120 0.000 0.000 0.307 147 V C -0.029 176.142 176.094 0.129 0.000 1.069 147 V CA 0.359 62.797 62.300 0.231 0.000 1.173 147 V CB 0.332 32.203 31.823 0.080 0.000 0.925 147 V HN 1.041 nan 8.190 nan 0.000 0.492 155 K N 3.678 124.089 120.400 0.018 0.000 2.298 155 K HA 0.255 4.576 4.320 0.000 0.000 0.280 155 K C -2.038 174.599 176.600 0.062 0.000 1.032 155 K CA -1.440 54.828 56.287 -0.033 0.000 0.958 155 K CB 0.405 32.751 32.500 -0.257 0.000 0.978 155 K HN 0.210 nan 8.250 nan 0.000 0.472 156 P HA 0.014 nan 4.420 nan 0.000 0.274 156 P C -0.755 176.598 177.300 0.088 0.000 1.237 156 P CA -0.478 62.654 63.100 0.053 0.000 0.793 156 P CB 0.573 32.283 31.700 0.017 0.000 0.977 157 A N 3.020 125.898 122.820 0.097 0.000 2.565 157 A HA -0.003 4.317 4.320 0.000 0.000 0.237 157 A C 0.738 178.378 177.584 0.093 0.000 1.053 157 A CA 0.187 52.289 52.037 0.107 0.000 0.755 157 A CB -0.437 18.608 19.000 0.074 0.000 0.980 157 A HN 0.437 nan 8.150 nan 0.000 0.506 158 R N 0.717 121.289 120.500 0.121 0.000 2.615 158 R HA 0.430 4.770 4.340 0.000 0.000 0.270 158 R C -0.621 175.741 176.300 0.103 0.000 1.081 158 R CA -0.279 55.890 56.100 0.115 0.000 1.154 158 R CB 0.361 30.745 30.300 0.140 0.000 1.063 158 R HN 0.670 nan 8.270 nan 0.000 0.519 159 L N 2.268 123.558 121.223 0.111 0.000 2.322 159 L HA 0.492 4.832 4.340 0.000 0.000 0.279 159 L C -0.308 176.658 176.870 0.161 0.000 1.036 159 L CA -0.908 54.003 54.840 0.118 0.000 0.807 159 L CB 1.355 43.473 42.059 0.099 0.000 1.226 159 L HN 0.443 nan 8.230 nan 0.000 0.433 160 I N 2.940 123.625 120.570 0.191 0.000 2.389 160 I HA 0.455 4.625 4.170 0.000 0.000 0.288 160 I C -0.831 175.491 176.117 0.342 0.000 0.999 160 I CA -0.275 61.178 61.300 0.254 0.000 1.129 160 I CB 1.705 39.834 38.000 0.216 0.000 1.288 160 I HN 0.202 nan 8.210 nan 0.000 0.444 161 V N 9.018 129.122 119.914 0.316 0.000 2.448 161 V HA 0.617 4.737 4.120 0.000 0.000 0.295 161 V C -0.741 175.539 176.094 0.310 0.000 1.025 161 V CA -0.457 61.980 62.300 0.227 0.000 0.859 161 V CB 1.156 33.087 31.823 0.179 0.000 0.988 161 V HN 0.602 nan 8.190 nan 0.000 0.431 162 F N 4.939 124.937 119.950 0.080 0.000 2.641 162 F HA 0.902 5.429 4.527 0.000 0.000 0.308 162 F C -3.116 172.726 175.800 0.069 0.000 1.105 162 F CA -2.638 55.408 58.000 0.077 0.000 0.964 162 F CB 1.625 40.664 39.000 0.065 0.000 1.294 162 F HN 0.299 nan 8.300 nan 0.000 0.442 163 P HA 0.187 nan 4.420 nan 0.000 0.279 163 P C -0.955 176.473 177.300 0.213 0.000 1.276 163 P CA -0.157 63.015 63.100 0.121 0.000 0.801 163 P CB 1.192 32.965 31.700 0.122 0.000 1.127 164 D N -0.607 119.899 120.400 0.178 0.000 2.443 164 D HA -0.098 4.542 4.640 0.000 0.000 0.234 164 D C 1.375 177.814 176.300 0.232 0.000 1.172 164 D CA -0.190 53.946 54.000 0.227 0.000 0.878 164 D CB 0.268 41.262 40.800 0.323 0.000 1.204 164 D HN 0.119 nan 8.370 nan 0.000 0.453 165 L N 3.471 124.809 121.223 0.190 0.000 2.089 165 L HA -0.054 4.286 4.340 0.000 0.000 0.213 165 L C 2.039 179.052 176.870 0.239 0.000 1.079 165 L CA 2.613 57.550 54.840 0.161 0.000 0.758 165 L CB -1.080 41.019 42.059 0.067 0.000 0.891 165 L HN 0.665 nan 8.230 nan 0.000 0.433 166 G N -1.392 107.622 108.800 0.357 0.000 2.418 166 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 166 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 166 G C 1.524 176.520 174.900 0.159 0.000 1.158 166 G CA 1.015 46.328 45.100 0.355 0.000 0.771 166 G HN 0.358 nan 8.290 nan 0.000 0.545 167 V N 0.903 120.911 119.914 0.156 0.000 2.358 167 V HA -0.160 3.961 4.120 0.000 0.000 0.246 167 V C 2.916 179.085 176.094 0.124 0.000 1.047 167 V CA 1.880 64.246 62.300 0.109 0.000 1.035 167 V CB -0.457 31.424 31.823 0.096 0.000 0.658 167 V HN 0.345 nan 8.190 nan 0.000 0.452 168 R N -0.207 120.376 120.500 0.139 0.000 2.096 168 R HA -0.105 4.235 4.340 0.000 0.000 0.235 168 R C 2.194 178.548 176.300 0.090 0.000 1.127 168 R CA 1.373 57.547 56.100 0.124 0.000 0.968 168 R CB -0.619 29.746 30.300 0.110 0.000 0.861 168 R HN 0.434 nan 8.270 nan 0.000 0.440 169 V N 0.458 120.416 119.914 0.073 0.000 2.427 169 V HA -0.255 3.865 4.120 0.000 0.000 0.248 169 V C 2.509 178.619 176.094 0.026 0.000 1.051 169 V CA 1.398 63.708 62.300 0.016 0.000 1.048 169 V CB -0.454 31.363 31.823 -0.009 0.000 0.666 169 V HN 0.427 nan 8.190 nan 0.000 0.456 170 C N -0.000 119.356 119.300 0.093 0.000 2.429 170 C HA -0.153 4.307 4.460 0.000 0.000 0.277 170 C C 2.696 177.844 174.990 0.264 0.000 1.262 170 C CA 0.993 60.145 59.018 0.224 0.000 1.733 170 C CB -0.956 26.961 27.740 0.295 0.000 2.010 170 C HN 0.617 nan 8.230 nan 0.000 0.483 171 E N 0.703 121.017 120.200 0.190 0.000 2.085 171 E HA -0.222 4.128 4.350 0.000 0.000 0.194 171 E C 2.191 178.903 176.600 0.187 0.000 0.994 171 E CA 1.181 57.705 56.400 0.208 0.000 0.801 171 E CB -0.160 29.672 29.700 0.220 0.000 0.743 171 E HN 0.634 nan 8.360 nan 0.000 0.453 172 K N 0.301 120.781 120.400 0.132 0.000 2.026 172 K HA -0.133 4.188 4.320 0.000 0.000 0.208 172 K C 2.225 178.876 176.600 0.085 0.000 1.048 172 K CA 1.426 57.779 56.287 0.111 0.000 0.929 172 K CB -0.148 32.346 32.500 -0.011 0.000 0.713 172 K HN 0.121 nan 8.250 nan 0.000 0.439 173 M N 0.348 119.952 119.600 0.007 0.000 2.065 173 M HA -0.196 4.284 4.480 0.000 0.000 0.259 173 M C 2.461 178.793 176.300 0.053 0.000 1.069 173 M CA 1.897 57.133 55.300 -0.106 0.000 1.110 173 M CB -0.398 31.927 32.600 -0.459 0.000 1.328 173 M HN 0.220 nan 8.290 nan 0.000 0.405 174 A N -0.606 122.369 122.820 0.259 0.000 1.929 174 A HA 0.008 4.329 4.320 0.000 0.000 0.216 174 A C 1.899 179.576 177.584 0.155 0.000 1.176 174 A CA 1.335 53.565 52.037 0.321 0.000 0.628 174 A CB -0.253 18.963 19.000 0.361 0.000 0.816 174 A HN 0.505 nan 8.150 nan 0.000 0.444 175 L N -3.491 117.808 121.223 0.128 0.000 3.128 175 L HA 0.190 4.530 4.340 0.000 0.000 0.277 175 L C 1.815 178.715 176.870 0.049 0.000 1.171 175 L CA 0.035 54.890 54.840 0.025 0.000 1.008 175 L CB 0.090 42.132 42.059 -0.029 0.000 1.442 175 L HN 0.451 nan 8.230 nan 0.000 0.584 176 Y N 1.463 121.775 120.300 0.019 0.000 2.081 176 Y HA -0.356 4.195 4.550 0.000 0.000 0.280 176 Y C 2.193 178.126 175.900 0.055 0.000 1.163 176 Y CA 2.384 60.514 58.100 0.050 0.000 1.135 176 Y CB 0.047 38.527 38.460 0.033 0.000 0.970 176 Y HN 0.228 nan 8.280 nan 0.000 0.498 177 D N -0.684 119.759 120.400 0.072 0.000 2.144 177 D HA -0.169 4.471 4.640 0.000 0.000 0.199 177 D C 2.180 178.418 176.300 -0.103 0.000 0.984 177 D CA 1.394 55.376 54.000 -0.030 0.000 0.834 177 D CB -0.191 40.643 40.800 0.057 0.000 0.955 177 D HN 0.286 nan 8.370 nan 0.000 0.465 178 V N 0.307 120.162 119.914 -0.097 0.000 2.261 178 V HA -0.211 3.909 4.120 0.000 0.000 0.246 178 V C 2.626 178.617 176.094 -0.173 0.000 1.047 178 V CA 1.774 63.996 62.300 -0.129 0.000 1.015 178 V CB -0.592 31.116 31.823 -0.191 0.000 0.642 178 V HN 0.343 nan 8.190 nan 0.000 0.446 179 V N -2.375 117.414 119.914 -0.209 0.000 3.141 179 V HA -0.040 4.080 4.120 0.000 0.000 0.265 179 V C 1.959 177.897 176.094 -0.259 0.000 1.126 179 V CA 1.897 64.068 62.300 -0.214 0.000 1.141 179 V CB -0.204 31.514 31.823 -0.176 0.000 0.743 179 V HN 0.463 nan 8.190 nan 0.000 0.492 180 S N 1.125 116.665 115.700 -0.267 0.000 2.439 180 S HA -0.035 4.435 4.470 0.000 0.000 0.224 180 S C 1.929 176.436 174.600 -0.154 0.000 1.029 180 S CA 1.411 59.478 58.200 -0.221 0.000 0.946 180 S CB 0.082 63.103 63.200 -0.299 0.000 0.797 180 S HN 0.933 nan 8.310 nan 0.000 0.504 181 T N -0.193 114.268 114.554 -0.154 0.000 3.085 181 T HA 0.261 4.612 4.350 0.000 0.000 0.241 181 T C 1.756 176.356 174.700 -0.166 0.000 0.988 181 T CA 0.049 62.074 62.100 -0.125 0.000 1.117 181 T CB -0.775 68.046 68.868 -0.078 0.000 0.978 181 T HN 0.178 nan 8.240 nan 0.000 0.454 182 L N 2.328 123.456 121.223 -0.158 0.000 2.021 182 L HA -0.000 4.340 4.340 0.000 0.000 0.215 182 L C -0.829 175.878 176.870 -0.272 0.000 1.074 182 L CA 1.987 56.734 54.840 -0.154 0.000 0.760 182 L CB -0.925 41.095 42.059 -0.065 0.000 0.889 182 L HN 0.202 nan 8.230 nan 0.000 0.433 183 P HA -0.212 nan 4.420 nan 0.000 0.215 183 P C 1.343 178.195 177.300 -0.747 0.000 1.153 183 P CA 1.280 63.938 63.100 -0.737 0.000 0.853 183 P CB -0.175 30.729 31.700 -1.327 0.000 0.788 184 Q N -0.092 119.334 119.800 -0.624 0.000 2.167 184 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 184 Q C 1.978 177.858 176.000 -0.200 0.000 0.970 184 Q CA 1.277 56.909 55.803 -0.284 0.000 0.855 184 Q CB -0.663 28.007 28.738 -0.113 0.000 0.911 184 Q HN 0.083 nan 8.270 nan 0.000 0.438 185 V N -0.101 119.697 119.914 -0.194 0.000 2.358 185 V HA -0.193 3.927 4.120 0.000 0.000 0.246 185 V C 2.464 178.470 176.094 -0.146 0.000 1.047 185 V CA 1.336 63.557 62.300 -0.132 0.000 1.035 185 V CB -0.438 31.326 31.823 -0.099 0.000 0.658 185 V HN 0.106 nan 8.190 nan 0.000 0.452 186 V N -0.827 118.964 119.914 -0.205 0.000 2.379 186 V HA -0.153 3.967 4.120 0.000 0.000 0.245 186 V C 2.032 177.943 176.094 -0.306 0.000 1.044 186 V CA 2.022 64.191 62.300 -0.218 0.000 1.036 186 V CB -0.376 31.299 31.823 -0.247 0.000 0.664 186 V HN 0.463 nan 8.190 nan 0.000 0.453 187 M N -1.210 118.146 119.600 -0.407 0.000 2.333 187 M HA 0.351 4.831 4.480 0.000 0.000 0.257 187 M C 1.430 177.612 176.300 -0.197 0.000 1.078 187 M CA 0.678 55.646 55.300 -0.553 0.000 1.005 187 M CB 0.498 32.670 32.600 -0.712 0.000 1.444 187 M HN 0.464 nan 8.290 nan 0.000 0.496 188 G N 1.583 110.308 108.800 -0.126 0.000 2.614 188 G HA2 -0.398 3.562 3.960 0.000 0.000 0.303 188 G HA3 -0.398 3.562 3.960 0.000 0.000 0.303 188 G C 0.808 175.694 174.900 -0.024 0.000 1.270 188 G CA 0.863 45.938 45.100 -0.042 0.000 0.988 188 G HN 0.542 nan 8.290 nan 0.000 0.551 189 S N -0.770 114.953 115.700 0.038 0.000 2.507 189 S HA 0.112 4.582 4.470 0.000 0.000 0.235 189 S C 2.172 176.704 174.600 -0.113 0.000 0.988 189 S CA 1.753 59.968 58.200 0.025 0.000 0.944 189 S CB 0.003 63.342 63.200 0.231 0.000 0.762 189 S HN 0.918 nan 8.310 nan 0.000 0.526 190 S N 0.411 116.123 115.700 0.020 0.000 2.481 190 S HA 0.087 4.557 4.470 0.000 0.000 0.231 190 S C 0.233 174.820 174.600 -0.023 0.000 0.996 190 S CA 0.010 58.243 58.200 0.055 0.000 0.942 190 S CB -0.428 62.930 63.200 0.262 0.000 0.768 190 S HN 0.719 nan 8.310 nan 0.000 0.520 191 Y N 2.915 123.077 120.300 -0.231 0.000 2.584 191 Y HA 0.452 5.002 4.550 0.000 0.000 0.351 191 Y C 1.244 176.923 175.900 -0.368 0.000 1.030 191 Y CA -1.479 56.449 58.100 -0.287 0.000 1.332 191 Y CB -0.040 38.255 38.460 -0.276 0.000 1.148 191 Y HN 0.048 nan 8.280 nan 0.000 0.528 192 G N 4.391 112.712 108.800 -0.799 0.000 2.471 192 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 192 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 192 G C 0.978 175.348 174.900 -0.884 0.000 1.125 192 G CA 0.275 44.948 45.100 -0.711 0.000 0.775 192 G HN 0.629 nan 8.290 nan 0.000 0.548 193 F N 1.075 120.291 119.950 -1.224 0.000 2.811 193 F HA 0.087 4.614 4.527 0.000 0.000 0.301 193 F C 2.750 178.332 175.800 -0.364 0.000 1.151 193 F CA 0.563 57.995 58.000 -0.947 0.000 1.412 193 F CB 0.002 38.452 39.000 -0.917 0.000 1.113 193 F HN 0.359 nan 8.300 nan 0.000 0.579 194 Q N -0.775 118.791 119.800 -0.389 0.000 2.451 194 Q HA -0.077 4.264 4.340 0.000 0.000 0.206 194 Q C -0.601 175.278 176.000 -0.202 0.000 0.947 194 Q CA 0.711 56.384 55.803 -0.217 0.000 0.937 194 Q CB -0.305 28.198 28.738 -0.393 0.000 1.025 194 Q HN 0.272 nan 8.270 nan 0.000 0.511 195 Y N 2.128 122.452 120.300 0.039 0.000 2.330 195 Y HA 0.268 4.818 4.550 0.000 0.000 0.336 195 Y C 0.662 176.440 175.900 -0.202 0.000 1.036 195 Y CA -1.289 56.776 58.100 -0.059 0.000 1.125 195 Y CB 1.417 39.791 38.460 -0.145 0.000 1.194 195 Y HN 0.113 nan 8.280 nan 0.000 0.469 196 S N 3.199 118.645 115.700 -0.422 0.000 2.596 196 S HA 0.160 4.630 4.470 0.000 0.000 0.260 196 S C -1.939 172.349 174.600 -0.520 0.000 1.336 196 S CA -0.952 56.525 58.200 -1.205 0.000 0.993 196 S CB 0.917 63.541 63.200 -0.959 0.000 0.923 196 S HN 0.439 nan 8.310 nan 0.000 0.567 197 P HA 0.049 nan 4.420 nan 0.000 0.218 197 P C 1.574 178.806 177.300 -0.114 0.000 1.148 197 P CA 1.539 64.521 63.100 -0.197 0.000 0.822 197 P CB -0.458 31.164 31.700 -0.129 0.000 0.784 198 G N -0.366 108.351 108.800 -0.137 0.000 2.396 198 G HA2 -0.206 3.754 3.960 0.000 0.000 0.214 198 G HA3 -0.206 3.754 3.960 0.000 0.000 0.214 198 G C 1.504 176.360 174.900 -0.073 0.000 1.166 198 G CA 0.305 45.373 45.100 -0.054 0.000 0.793 198 G HN 0.269 nan 8.290 nan 0.000 0.533 199 Q N -0.336 119.407 119.800 -0.097 0.000 2.170 199 Q HA -0.025 4.315 4.340 0.000 0.000 0.203 199 Q C 2.541 178.416 176.000 -0.208 0.000 0.976 199 Q CA 0.896 56.663 55.803 -0.059 0.000 0.858 199 Q CB -0.118 28.671 28.738 0.085 0.000 0.907 199 Q HN 0.426 nan 8.270 nan 0.000 0.433 200 R N 0.284 120.669 120.500 -0.192 0.000 2.096 200 R HA -0.125 4.216 4.340 0.000 0.000 0.235 200 R C 2.026 178.221 176.300 -0.175 0.000 1.127 200 R CA 1.059 57.001 56.100 -0.263 0.000 0.968 200 R CB -0.011 30.226 30.300 -0.106 0.000 0.861 200 R HN 0.101 nan 8.270 nan 0.000 0.440 201 V N 1.022 120.865 119.914 -0.118 0.000 2.307 201 V HA -0.204 3.916 4.120 0.000 0.000 0.245 201 V C 2.281 178.297 176.094 -0.131 0.000 1.045 201 V CA 1.992 64.226 62.300 -0.110 0.000 1.024 201 V CB -0.494 31.303 31.823 -0.043 0.000 0.651 201 V HN 0.444 nan 8.190 nan 0.000 0.449 202 E N -0.480 119.663 120.200 -0.095 0.000 2.058 202 E HA -0.286 4.064 4.350 0.000 0.000 0.194 202 E C 2.113 178.653 176.600 -0.100 0.000 0.997 202 E CA 1.865 58.218 56.400 -0.077 0.000 0.801 202 E CB -0.192 29.487 29.700 -0.035 0.000 0.746 202 E HN 0.554 nan 8.360 nan 0.000 0.450 203 F N 1.075 120.841 119.950 -0.307 0.000 2.102 203 F HA -0.174 4.354 4.527 0.000 0.000 0.298 203 F C 2.009 177.672 175.800 -0.228 0.000 1.105 203 F CA 1.314 59.116 58.000 -0.329 0.000 1.239 203 F CB -0.214 38.398 39.000 -0.646 0.000 0.991 203 F HN -0.011 nan 8.300 nan 0.000 0.474 204 L N -1.033 120.082 121.223 -0.181 0.000 2.056 204 L HA -0.193 4.147 4.340 0.000 0.000 0.207 204 L C 2.378 179.103 176.870 -0.241 0.000 1.078 204 L CA 0.851 55.560 54.840 -0.218 0.000 0.749 204 L CB -0.742 41.222 42.059 -0.159 0.000 0.901 204 L HN -0.010 nan 8.230 nan 0.000 0.433 205 V N 0.174 119.924 119.914 -0.273 0.000 2.307 205 V HA -0.263 3.858 4.120 0.000 0.000 0.245 205 V C 2.193 178.189 176.094 -0.164 0.000 1.045 205 V CA 1.840 63.958 62.300 -0.303 0.000 1.024 205 V CB -0.613 30.937 31.823 -0.455 0.000 0.651 205 V HN 0.487 nan 8.190 nan 0.000 0.449 206 N N -0.068 118.525 118.700 -0.179 0.000 2.166 206 N HA -0.131 4.609 4.740 0.000 0.000 0.186 206 N C 1.858 177.262 175.510 -0.178 0.000 1.019 206 N CA 1.872 54.833 53.050 -0.148 0.000 0.856 206 N CB -0.564 37.839 38.487 -0.140 0.000 0.993 206 N HN 0.451 nan 8.380 nan 0.000 0.426 207 T N 0.202 114.582 114.554 -0.290 0.000 2.812 207 T HA -0.094 4.256 4.350 0.000 0.000 0.264 207 T C 1.472 176.091 174.700 -0.134 0.000 1.042 207 T CA 0.388 62.304 62.100 -0.306 0.000 1.140 207 T CB -0.117 68.446 68.868 -0.510 0.000 0.870 207 T HN 0.418 nan 8.240 nan 0.000 0.445 208 W N 2.255 123.399 121.300 -0.261 0.000 2.358 208 W HA -0.053 4.607 4.660 0.000 0.000 0.303 208 W C 1.594 178.027 176.519 -0.143 0.000 1.208 208 W CA 1.086 58.318 57.345 -0.189 0.000 1.274 208 W CB -0.115 29.224 29.460 -0.201 0.000 1.138 208 W HN 0.220 nan 8.180 nan 0.000 0.515 209 K N 0.221 120.642 120.400 0.034 0.000 2.432 209 K HA -0.081 4.239 4.320 0.000 0.000 0.196 209 K C 2.066 178.613 176.600 -0.087 0.000 1.038 209 K CA 1.231 57.509 56.287 -0.016 0.000 0.986 209 K CB -0.041 32.472 32.500 0.022 0.000 0.782 209 K HN 0.024 nan 8.250 nan 0.000 0.485 210 S N 0.177 115.808 115.700 -0.116 0.000 2.558 210 S HA 0.078 4.548 4.470 0.000 0.000 0.217 210 S C 0.402 174.923 174.600 -0.132 0.000 0.975 210 S CA -0.051 58.083 58.200 -0.110 0.000 0.912 210 S CB 0.141 63.275 63.200 -0.110 0.000 0.776 210 S HN -0.074 nan 8.310 nan 0.000 0.526 211 K N 1.849 122.132 120.400 -0.196 0.000 2.130 211 K HA 0.396 4.716 4.320 0.000 0.000 0.268 211 K C 0.381 176.861 176.600 -0.200 0.000 0.983 211 K CA -0.407 55.751 56.287 -0.216 0.000 0.893 211 K CB 1.380 33.688 32.500 -0.320 0.000 1.066 211 K HN 0.119 nan 8.250 nan 0.000 0.450 212 K N 1.034 121.347 120.400 -0.145 0.000 2.002 212 K HA -0.053 4.267 4.320 0.000 0.000 0.209 212 K C 0.295 176.810 176.600 -0.141 0.000 1.048 212 K CA 1.175 57.393 56.287 -0.115 0.000 0.930 212 K CB 0.135 32.587 32.500 -0.081 0.000 0.714 212 K HN 0.436 nan 8.250 nan 0.000 0.438 213 N N 1.517 120.122 118.700 -0.157 0.000 2.746 213 N HA 0.196 4.936 4.740 0.000 0.000 0.250 213 N C -2.855 172.509 175.510 -0.244 0.000 1.146 213 N CA -1.170 51.782 53.050 -0.163 0.000 0.828 213 N CB 1.578 40.010 38.487 -0.093 0.000 1.158 213 N HN 0.035 nan 8.380 nan 0.000 0.519 214 P HA 0.088 nan 4.420 nan 0.000 0.271 214 P C -0.280 176.665 177.300 -0.593 0.000 1.216 214 P CA -0.137 62.456 63.100 -0.844 0.000 0.771 214 P CB 1.167 31.659 31.700 -2.013 0.000 0.864 215 M N 2.589 121.970 119.600 -0.365 0.000 2.457 215 M HA 0.646 5.126 4.480 0.000 0.000 0.300 215 M C -1.086 175.186 176.300 -0.048 0.000 1.141 215 M CA -0.355 54.846 55.300 -0.164 0.000 0.901 215 M CB 2.565 35.146 32.600 -0.033 0.000 1.687 215 M HN 0.535 nan 8.290 nan 0.000 0.449 216 G N 3.820 112.686 108.800 0.109 0.000 2.612 216 G HA2 0.817 4.777 3.960 0.000 0.000 0.298 216 G HA3 0.817 4.777 3.960 0.000 0.000 0.298 216 G C -1.935 173.027 174.900 0.104 0.000 1.336 216 G CA -0.589 44.583 45.100 0.121 0.000 0.953 216 G HN 0.784 nan 8.290 nan 0.000 0.482 217 F N -0.199 119.706 119.950 -0.075 0.000 2.631 217 F HA 0.802 5.329 4.527 0.000 0.000 0.308 217 F C -0.179 175.592 175.800 -0.047 0.000 1.097 217 F CA -1.485 56.466 58.000 -0.081 0.000 0.952 217 F CB 1.471 40.404 39.000 -0.111 0.000 1.307 217 F HN 0.607 nan 8.300 nan 0.000 0.450 218 S N 1.151 116.910 115.700 0.098 0.000 2.578 218 S HA 0.584 5.054 4.470 0.000 0.000 0.283 218 S C -1.488 173.295 174.600 0.305 0.000 1.195 218 S CA -0.568 57.672 58.200 0.066 0.000 1.050 218 S CB 1.505 64.728 63.200 0.038 0.000 1.012 218 S HN 0.839 nan 8.310 nan 0.000 0.511 219 Y N 1.501 121.900 120.300 0.165 0.000 2.334 219 Y HA 0.417 4.967 4.550 0.000 0.000 0.336 219 Y C -0.745 175.276 175.900 0.202 0.000 0.960 219 Y CA -0.889 57.381 58.100 0.284 0.000 1.164 219 Y CB 1.138 39.876 38.460 0.464 0.000 1.155 219 Y HN 0.819 nan 8.280 nan 0.000 0.478 220 D N 4.438 124.683 120.400 -0.258 0.000 2.380 220 D HA 0.175 4.815 4.640 0.000 0.000 0.230 220 D C -0.637 175.460 176.300 -0.339 0.000 1.154 220 D CA 0.073 53.962 54.000 -0.184 0.000 0.859 220 D CB 0.857 41.584 40.800 -0.122 0.000 1.045 220 D HN 0.499 nan 8.370 nan 0.000 0.495 221 T N 3.962 118.509 114.554 -0.012 0.000 2.832 221 T HA 0.139 4.489 4.350 0.000 0.000 0.296 221 T C 0.514 175.292 174.700 0.131 0.000 0.968 221 T CA -0.507 61.687 62.100 0.157 0.000 1.107 221 T CB 0.650 69.859 68.868 0.570 0.000 0.916 221 T HN 0.288 nan 8.240 nan 0.000 0.517 222 R N 2.500 123.037 120.500 0.063 0.000 2.446 222 R HA 0.101 4.441 4.340 0.000 0.000 0.314 222 R C -0.176 176.220 176.300 0.159 0.000 1.003 222 R CA -0.231 55.904 56.100 0.057 0.000 1.018 222 R CB -0.762 29.514 30.300 -0.040 0.000 0.945 222 R HN 0.954 nan 8.270 nan 0.000 0.419 223 C N 5.414 124.839 119.300 0.208 0.000 2.865 223 C HA -0.167 4.293 4.460 0.000 0.000 0.254 223 C C 1.303 176.497 174.990 0.340 0.000 1.239 223 C CA 0.040 59.233 59.018 0.292 0.000 2.512 223 C CB -2.981 24.985 27.740 0.377 0.000 1.556 223 C HN 1.011 nan 8.230 nan 0.000 0.433 224 F N 1.750 121.816 119.950 0.194 0.000 2.065 224 F HA -0.177 4.351 4.527 0.000 0.000 0.298 224 F C 2.011 177.922 175.800 0.185 0.000 1.112 224 F CA 2.405 60.520 58.000 0.192 0.000 1.212 224 F CB -0.012 39.090 39.000 0.169 0.000 0.975 224 F HN 0.492 nan 8.300 nan 0.000 0.476 225 D N -0.264 120.364 120.400 0.382 0.000 2.133 225 D HA -0.196 4.445 4.640 0.000 0.000 0.192 225 D C 2.441 178.803 176.300 0.104 0.000 1.001 225 D CA 1.842 55.992 54.000 0.250 0.000 0.844 225 D CB -0.630 40.323 40.800 0.256 0.000 0.944 225 D HN 0.238 nan 8.370 nan 0.000 0.447 226 S N -0.653 115.132 115.700 0.141 0.000 2.447 226 S HA -0.112 4.358 4.470 0.000 0.000 0.233 226 S C 2.002 176.563 174.600 -0.065 0.000 1.006 226 S CA 1.469 59.665 58.200 -0.007 0.000 0.957 226 S CB -0.253 62.964 63.200 0.027 0.000 0.773 226 S HN 0.547 nan 8.310 nan 0.000 0.507 227 T N -0.747 113.854 114.554 0.077 0.000 3.081 227 T HA 0.168 4.518 4.350 0.000 0.000 0.255 227 T C 0.600 175.235 174.700 -0.108 0.000 1.113 227 T CA -0.066 62.081 62.100 0.077 0.000 1.082 227 T CB -0.368 68.503 68.868 0.005 0.000 0.939 227 T HN 0.027 nan 8.240 nan 0.000 0.506 228 V N 4.128 123.933 119.914 -0.181 0.000 2.485 228 V HA 0.297 4.417 4.120 0.000 0.000 0.287 228 V C 1.156 177.194 176.094 -0.093 0.000 1.022 228 V CA -0.030 62.182 62.300 -0.147 0.000 1.067 228 V CB 0.026 31.801 31.823 -0.079 0.000 0.967 228 V HN 0.740 nan 8.190 nan 0.000 0.479 229 T N 0.808 115.322 114.554 -0.065 0.000 2.912 229 T HA 0.329 4.679 4.350 0.000 0.000 0.280 229 T C 1.058 175.737 174.700 -0.034 0.000 0.989 229 T CA -0.250 61.817 62.100 -0.055 0.000 0.995 229 T CB 1.531 70.373 68.868 -0.043 0.000 1.077 229 T HN 0.699 nan 8.240 nan 0.000 0.531 230 E N 0.737 120.918 120.200 -0.032 0.000 2.070 230 E HA -0.335 4.015 4.350 0.000 0.000 0.197 230 E C 1.922 178.523 176.600 0.001 0.000 1.004 230 E CA 2.024 58.418 56.400 -0.009 0.000 0.805 230 E CB -0.301 29.394 29.700 -0.009 0.000 0.744 230 E HN 0.808 nan 8.360 nan 0.000 0.451 231 N N 0.345 119.041 118.700 -0.007 0.000 2.104 231 N HA -0.200 4.540 4.740 0.000 0.000 0.190 231 N C 1.492 177.014 175.510 0.021 0.000 1.024 231 N CA 1.993 55.044 53.050 0.002 0.000 0.853 231 N CB -0.086 38.391 38.487 -0.018 0.000 1.008 231 N HN 0.163 nan 8.380 nan 0.000 0.424 232 D N -0.054 120.357 120.400 0.018 0.000 2.144 232 D HA -0.101 4.539 4.640 0.000 0.000 0.199 232 D C 1.863 178.175 176.300 0.021 0.000 0.984 232 D CA 0.943 54.966 54.000 0.039 0.000 0.834 232 D CB -0.112 40.704 40.800 0.026 0.000 0.955 232 D HN 0.484 nan 8.370 nan 0.000 0.465 233 I N 0.381 120.963 120.570 0.021 0.000 2.500 233 I HA -0.101 4.070 4.170 0.000 0.000 0.252 233 I C 2.455 178.589 176.117 0.030 0.000 1.142 233 I CA 0.513 61.833 61.300 0.033 0.000 1.451 233 I CB 0.049 38.088 38.000 0.065 0.000 1.093 233 I HN -0.153 nan 8.210 nan 0.000 0.430 234 R N 0.134 120.649 120.500 0.025 0.000 2.073 234 R HA -0.071 4.269 4.340 0.000 0.000 0.229 234 R C 2.351 178.641 176.300 -0.016 0.000 1.120 234 R CA 1.017 57.127 56.100 0.017 0.000 0.967 234 R CB -0.401 29.911 30.300 0.020 0.000 0.862 234 R HN 0.182 nan 8.270 nan 0.000 0.436 235 V N 2.320 122.226 119.914 -0.013 0.000 2.287 235 V HA -0.288 3.832 4.120 0.000 0.000 0.248 235 V C 2.460 178.473 176.094 -0.136 0.000 1.053 235 V CA 2.311 64.589 62.300 -0.036 0.000 1.027 235 V CB -0.605 31.234 31.823 0.027 0.000 0.646 235 V HN 0.512 nan 8.190 nan 0.000 0.447 236 E N -0.024 120.064 120.200 -0.187 0.000 2.150 236 E HA -0.267 4.083 4.350 0.000 0.000 0.193 236 E C 2.127 178.283 176.600 -0.739 0.000 0.985 236 E CA 1.429 57.571 56.400 -0.429 0.000 0.814 236 E CB -0.420 29.068 29.700 -0.352 0.000 0.752 236 E HN 0.676 nan 8.360 nan 0.000 0.466 237 E N 1.250 121.248 120.200 -0.337 0.000 2.058 237 E HA -0.212 4.138 4.350 0.000 0.000 0.194 237 E C 2.233 178.774 176.600 -0.097 0.000 0.997 237 E CA 1.816 58.150 56.400 -0.111 0.000 0.801 237 E CB -0.062 29.694 29.700 0.094 0.000 0.746 237 E HN 0.409 nan 8.360 nan 0.000 0.450 238 S N 0.113 115.754 115.700 -0.098 0.000 2.442 238 S HA -0.109 4.361 4.470 0.000 0.000 0.236 238 S C 2.048 176.600 174.600 -0.080 0.000 1.007 238 S CA 0.777 58.944 58.200 -0.055 0.000 0.965 238 S CB -0.457 62.717 63.200 -0.043 0.000 0.773 238 S HN 0.280 nan 8.310 nan 0.000 0.504 239 I N -0.056 120.406 120.570 -0.181 0.000 2.286 239 I HA -0.093 4.077 4.170 0.000 0.000 0.245 239 I C 2.232 178.318 176.117 -0.052 0.000 1.104 239 I CA 1.077 62.281 61.300 -0.160 0.000 1.397 239 I CB -0.414 37.439 38.000 -0.245 0.000 1.072 239 I HN 0.211 nan 8.210 nan 0.000 0.417 240 Y N 1.113 121.406 120.300 -0.010 0.000 2.145 240 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 240 Y C 2.669 178.571 175.900 0.004 0.000 1.145 240 Y CA 0.748 58.846 58.100 -0.003 0.000 1.148 240 Y CB -1.076 37.397 38.460 0.021 0.000 0.981 240 Y HN 0.214 nan 8.280 nan 0.000 0.507 241 Q N -1.132 118.771 119.800 0.171 0.000 2.439 241 Q HA -0.145 4.196 4.340 0.000 0.000 0.211 241 Q C 2.335 178.370 176.000 0.058 0.000 0.978 241 Q CA 0.977 56.839 55.803 0.098 0.000 0.897 241 Q CB -0.927 27.853 28.738 0.069 0.000 0.956 241 Q HN 0.513 nan 8.270 nan 0.000 0.483 242 C N 0.135 119.462 119.300 0.044 0.000 2.432 242 C HA -0.041 4.419 4.460 0.000 0.000 0.282 242 C C 1.592 176.598 174.990 0.027 0.000 1.388 242 C CA -0.662 58.369 59.018 0.022 0.000 1.777 242 C CB -0.698 27.043 27.740 0.002 0.000 1.882 242 C HN 0.420 nan 8.230 nan 0.000 0.520 243 C N 1.648 120.975 119.300 0.045 0.000 2.705 243 C HA 0.155 4.616 4.460 0.000 0.000 0.382 243 C C 0.522 175.530 174.990 0.031 0.000 1.322 243 C CA -0.264 58.775 59.018 0.035 0.000 2.290 243 C CB -0.181 27.586 27.740 0.045 0.000 2.650 243 C HN 0.495 nan 8.230 nan 0.000 0.695 244 D N 1.586 122.000 120.400 0.023 0.000 2.336 244 D HA 0.462 5.102 4.640 0.000 0.000 0.249 244 D C -0.648 175.669 176.300 0.028 0.000 1.213 244 D CA 0.350 54.363 54.000 0.022 0.000 0.870 244 D CB -0.013 40.796 40.800 0.015 0.000 1.076 244 D HN 0.391 nan 8.370 nan 0.000 0.483 245 L N 2.031 123.275 121.223 0.035 0.000 2.371 245 L HA 0.656 4.996 4.340 0.000 0.000 0.262 245 L C 0.337 177.236 176.870 0.047 0.000 1.006 245 L CA -1.511 53.356 54.840 0.045 0.000 0.818 245 L CB 1.860 43.952 42.059 0.054 0.000 1.354 245 L HN 0.339 nan 8.230 nan 0.000 0.415 246 A N 1.838 124.693 122.820 0.058 0.000 2.498 246 A HA 0.327 4.647 4.320 0.000 0.000 0.239 246 A C -1.845 175.782 177.584 0.071 0.000 1.068 246 A CA -0.812 51.264 52.037 0.065 0.000 0.766 246 A CB -0.126 18.923 19.000 0.082 0.000 1.003 246 A HN 0.622 nan 8.150 nan 0.000 0.497 247 P HA -0.139 nan 4.420 nan 0.000 0.218 247 P C 0.994 178.326 177.300 0.052 0.000 1.148 247 P CA 1.422 64.550 63.100 0.047 0.000 0.822 247 P CB 0.221 31.943 31.700 0.038 0.000 0.784 248 E N -0.714 119.544 120.200 0.098 0.000 2.152 248 E HA -0.064 4.286 4.350 0.000 0.000 0.192 248 E C 2.045 178.722 176.600 0.129 0.000 0.983 248 E CA 0.822 57.297 56.400 0.126 0.000 0.818 248 E CB -0.362 29.518 29.700 0.300 0.000 0.758 248 E HN 0.157 nan 8.360 nan 0.000 0.467 249 A N 1.677 124.603 122.820 0.176 0.000 1.877 249 A HA -0.183 4.138 4.320 0.000 0.000 0.216 249 A C 2.064 179.692 177.584 0.073 0.000 1.186 249 A CA 1.112 53.251 52.037 0.170 0.000 0.620 249 A CB -0.343 18.745 19.000 0.147 0.000 0.822 249 A HN 0.073 nan 8.150 nan 0.000 0.443 250 R N -1.066 119.466 120.500 0.053 0.000 2.091 250 R HA -0.203 4.137 4.340 0.000 0.000 0.238 250 R C 2.515 178.812 176.300 -0.005 0.000 1.136 250 R CA 1.805 57.925 56.100 0.034 0.000 0.959 250 R CB -0.310 30.008 30.300 0.030 0.000 0.856 250 R HN 0.663 nan 8.270 nan 0.000 0.437 251 Q N 0.656 120.431 119.800 -0.042 0.000 2.046 251 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 251 Q C 1.957 177.856 176.000 -0.170 0.000 0.975 251 Q CA 2.012 57.755 55.803 -0.100 0.000 0.836 251 Q CB -0.271 28.393 28.738 -0.123 0.000 0.896 251 Q HN 0.328 nan 8.270 nan 0.000 0.428 252 A N -0.039 122.626 122.820 -0.258 0.000 1.972 252 A HA -0.131 4.189 4.320 0.000 0.000 0.219 252 A C 2.103 179.587 177.584 -0.166 0.000 1.169 252 A CA 1.457 53.270 52.037 -0.373 0.000 0.635 252 A CB -0.653 17.966 19.000 -0.634 0.000 0.810 252 A HN 0.497 nan 8.150 nan 0.000 0.446 253 I N -1.046 119.495 120.570 -0.048 0.000 2.333 253 I HA -0.177 3.993 4.170 0.000 0.000 0.246 253 I C 2.479 178.627 176.117 0.052 0.000 1.106 253 I CA 1.448 62.780 61.300 0.053 0.000 1.411 253 I CB -0.162 37.903 38.000 0.109 0.000 1.082 253 I HN 0.328 nan 8.210 nan 0.000 0.420 254 K N 0.465 120.873 120.400 0.014 0.000 2.063 254 K HA -0.236 4.084 4.320 0.000 0.000 0.208 254 K C 2.345 178.920 176.600 -0.041 0.000 1.048 254 K CA 1.959 58.249 56.287 0.005 0.000 0.928 254 K CB -0.110 32.382 32.500 -0.015 0.000 0.713 254 K HN 0.189 nan 8.250 nan 0.000 0.442 255 S N 0.389 116.030 115.700 -0.098 0.000 2.371 255 S HA -0.059 4.411 4.470 0.000 0.000 0.224 255 S C 1.988 176.480 174.600 -0.179 0.000 1.029 255 S CA 0.794 58.914 58.200 -0.134 0.000 0.978 255 S CB -0.218 62.876 63.200 -0.177 0.000 0.833 255 S HN 0.342 nan 8.310 nan 0.000 0.466 256 L N 1.002 122.076 121.223 -0.247 0.000 2.083 256 L HA -0.079 4.261 4.340 0.000 0.000 0.209 256 L C 2.863 179.380 176.870 -0.588 0.000 1.083 256 L CA 1.607 56.159 54.840 -0.480 0.000 0.752 256 L CB -1.071 40.619 42.059 -0.615 0.000 0.899 256 L HN 0.338 nan 8.230 nan 0.000 0.433 257 T N -0.906 113.510 114.554 -0.231 0.000 2.674 257 T HA -0.169 4.181 4.350 0.000 0.000 0.265 257 T C 1.790 176.491 174.700 0.001 0.000 1.039 257 T CA 1.295 63.424 62.100 0.049 0.000 1.150 257 T CB -0.137 68.845 68.868 0.191 0.000 0.864 257 T HN 0.304 nan 8.240 nan 0.000 0.427 258 E N 0.965 121.147 120.200 -0.030 0.000 2.106 258 E HA -0.034 4.316 4.350 0.000 0.000 0.192 258 E C 2.347 178.926 176.600 -0.035 0.000 0.984 258 E CA 0.929 57.318 56.400 -0.019 0.000 0.806 258 E CB -0.098 29.588 29.700 -0.024 0.000 0.750 258 E HN 0.471 nan 8.360 nan 0.000 0.458 259 R N -0.623 119.826 120.500 -0.084 0.000 2.237 259 R HA 0.114 4.454 4.340 0.000 0.000 0.195 259 R C 1.843 178.086 176.300 -0.095 0.000 0.956 259 R CA 0.224 56.277 56.100 -0.078 0.000 1.029 259 R CB 0.294 30.538 30.300 -0.094 0.000 0.972 259 R HN 0.034 nan 8.270 nan 0.000 0.493 260 L N -2.081 119.047 121.223 -0.159 0.000 2.691 260 L HA 0.206 4.547 4.340 0.000 0.000 0.185 260 L C 1.326 178.196 176.870 -0.000 0.000 1.081 260 L CA 0.843 55.599 54.840 -0.140 0.000 0.865 260 L CB -0.342 41.561 42.059 -0.261 0.000 1.370 260 L HN -0.131 nan 8.230 nan 0.000 0.488 261 Y N 0.503 120.814 120.300 0.018 0.000 2.181 261 Y HA -0.056 4.494 4.550 0.000 0.000 0.288 261 Y C 2.652 178.553 175.900 0.002 0.000 1.146 261 Y CA 1.392 59.511 58.100 0.032 0.000 1.164 261 Y CB -0.786 37.718 38.460 0.072 0.000 0.982 261 Y HN 0.124 nan 8.280 nan 0.000 0.515 262 I N -1.005 119.657 120.570 0.152 0.000 2.454 262 I HA -0.073 4.097 4.170 0.000 0.000 0.254 262 I C 1.079 177.197 176.117 0.001 0.000 1.156 262 I CA 1.328 62.669 61.300 0.068 0.000 1.433 262 I CB -0.428 37.604 38.000 0.054 0.000 1.082 262 I HN 0.323 nan 8.210 nan 0.000 0.432 263 G N -0.830 107.949 108.800 -0.036 0.000 2.352 263 G HA2 0.443 4.403 3.960 0.000 0.000 0.302 263 G HA3 0.443 4.403 3.960 0.000 0.000 0.302 263 G C -0.974 173.758 174.900 -0.279 0.000 1.370 263 G CA -0.216 44.780 45.100 -0.172 0.000 0.918 263 G HN 0.391 nan 8.290 nan 0.000 0.610 264 G N -0.646 107.720 108.800 -0.723 0.000 2.340 264 G HA2 0.744 4.705 3.960 0.000 0.000 0.298 264 G HA3 0.744 4.705 3.960 0.000 0.000 0.298 264 G C -3.459 170.869 174.900 -0.953 0.000 1.498 264 G CA 0.062 44.745 45.100 -0.695 0.000 0.847 264 G HN 0.747 nan 8.290 nan 0.000 0.594 265 P HA 0.471 nan 4.420 nan 0.000 0.272 265 P C -0.523 176.705 177.300 -0.120 0.000 1.230 265 P CA -0.205 62.820 63.100 -0.125 0.000 0.788 265 P CB 1.228 32.978 31.700 0.083 0.000 0.949 266 L N 1.462 122.662 121.223 -0.038 0.000 2.341 266 L HA 0.505 4.845 4.340 0.000 0.000 0.278 266 L C 0.232 177.118 176.870 0.026 0.000 1.005 266 L CA -0.266 54.572 54.840 -0.005 0.000 0.818 266 L CB 2.086 44.184 42.059 0.066 0.000 1.259 266 L HN 0.289 nan 8.230 nan 0.000 0.418 267 T N 1.212 115.758 114.554 -0.013 0.000 2.848 267 T HA 0.336 4.686 4.350 0.000 0.000 0.285 267 T C -0.381 174.303 174.700 -0.027 0.000 0.995 267 T CA -0.857 61.235 62.100 -0.014 0.000 0.970 267 T CB 1.589 70.432 68.868 -0.041 0.000 0.976 267 T HN 0.651 nan 8.240 nan 0.000 0.441 268 N N 0.686 119.386 118.700 -0.000 0.000 2.364 268 N HA 0.152 4.892 4.740 0.000 0.000 0.264 268 N C 1.425 176.924 175.510 -0.018 0.000 1.263 268 N CA -0.372 52.677 53.050 -0.003 0.000 0.959 268 N CB 0.131 38.626 38.487 0.013 0.000 1.204 268 N HN 0.466 nan 8.380 nan 0.000 0.550 269 S N -1.283 114.415 115.700 -0.003 0.000 2.474 269 S HA -0.070 4.400 4.470 0.000 0.000 0.235 269 S C 1.074 175.670 174.600 -0.007 0.000 0.997 269 S CA 0.597 58.798 58.200 0.002 0.000 0.949 269 S CB -0.399 62.818 63.200 0.029 0.000 0.766 269 S HN 0.606 nan 8.310 nan 0.000 0.517 270 K N 0.589 120.986 120.400 -0.005 0.000 2.444 270 K HA 0.224 4.544 4.320 0.000 0.000 0.193 270 K C 1.281 177.872 176.600 -0.015 0.000 1.024 270 K CA 0.404 56.687 56.287 -0.008 0.000 1.077 270 K CB -0.168 32.331 32.500 -0.001 0.000 0.833 270 K HN 0.577 nan 8.250 nan 0.000 0.517 271 G N 1.554 110.341 108.800 -0.021 0.000 2.176 271 G HA2 -0.293 3.667 3.960 0.000 0.000 0.253 271 G HA3 -0.293 3.667 3.960 0.000 0.000 0.253 271 G C -0.136 174.759 174.900 -0.009 0.000 0.979 271 G CA -0.051 45.034 45.100 -0.025 0.000 0.641 271 G HN 0.351 nan 8.290 nan 0.000 0.530 272 Q N 0.176 119.977 119.800 0.002 0.000 2.306 272 Q HA 0.332 4.672 4.340 0.000 0.000 0.241 272 Q C 0.542 176.559 176.000 0.029 0.000 0.948 272 Q CA -0.353 55.460 55.803 0.017 0.000 0.886 272 Q CB 0.721 29.472 28.738 0.022 0.000 1.227 272 Q HN 0.436 nan 8.270 nan 0.000 0.457 273 N N 1.096 119.821 118.700 0.042 0.000 2.458 273 N HA 0.035 4.775 4.740 0.000 0.000 0.270 273 N C -0.354 175.214 175.510 0.098 0.000 1.102 273 N CA -0.436 52.652 53.050 0.063 0.000 0.967 273 N CB 0.606 39.131 38.487 0.064 0.000 1.078 273 N HN 0.583 nan 8.380 nan 0.000 0.471 274 C N 2.871 122.252 119.300 0.136 0.000 2.780 274 C HA 0.430 4.890 4.460 0.000 0.000 0.267 274 C C 1.228 176.411 174.990 0.322 0.000 1.266 274 C CA 0.378 59.535 59.018 0.233 0.000 1.709 274 C CB -1.135 26.776 27.740 0.286 0.000 1.975 274 C HN 0.979 nan 8.230 nan 0.000 0.582 275 G N -0.784 108.130 108.800 0.191 0.000 2.247 275 G HA2 0.183 4.143 3.960 0.000 0.000 0.229 275 G HA3 0.183 4.143 3.960 0.000 0.000 0.229 275 G C -1.919 173.038 174.900 0.095 0.000 1.345 275 G CA -0.428 44.746 45.100 0.123 0.000 1.100 275 G HN 0.051 nan 8.290 nan 0.000 0.473 276 Y N 0.792 120.985 120.300 -0.178 0.000 2.504 276 Y HA 0.767 5.317 4.550 0.000 0.000 0.344 276 Y C -0.049 175.710 175.900 -0.236 0.000 1.023 276 Y CA -0.800 57.204 58.100 -0.159 0.000 1.020 276 Y CB 1.993 40.372 38.460 -0.135 0.000 1.282 276 Y HN 0.722 nan 8.280 nan 0.000 0.454 277 R N 4.447 124.610 120.500 -0.562 0.000 2.514 277 R HA 0.557 4.898 4.340 0.000 0.000 0.301 277 R C -0.662 175.360 176.300 -0.463 0.000 0.962 277 R CA -0.577 55.201 56.100 -0.538 0.000 0.882 277 R CB 1.051 31.130 30.300 -0.368 0.000 1.143 277 R HN 0.942 nan 8.270 nan 0.000 0.452 278 R N 2.690 122.931 120.500 -0.431 0.000 2.629 278 R HA 0.206 4.546 4.340 0.000 0.000 0.408 278 R C -0.492 175.644 176.300 -0.273 0.000 1.057 278 R CA -0.228 55.730 56.100 -0.236 0.000 1.119 278 R CB 0.430 30.643 30.300 -0.145 0.000 1.403 278 R HN 0.786 nan 8.270 nan 0.000 0.576 279 C N -1.914 117.166 119.300 -0.366 0.000 3.301 279 C HA 0.624 5.085 4.460 0.000 0.000 0.367 279 C C -0.227 174.676 174.990 -0.146 0.000 1.980 279 C CA -1.506 57.353 59.018 -0.264 0.000 1.349 279 C CB 1.080 28.603 27.740 -0.362 0.000 2.412 279 C HN 0.272 nan 8.230 nan 0.000 0.451 280 R N 1.164 121.634 120.500 -0.049 0.000 2.489 280 R HA 0.505 4.845 4.340 0.000 0.000 0.287 280 R C 0.023 176.370 176.300 0.078 0.000 1.053 280 R CA 0.820 56.947 56.100 0.044 0.000 1.036 280 R CB -0.029 30.337 30.300 0.110 0.000 0.966 280 R HN 1.128 nan 8.270 nan 0.000 0.432 281 A N 3.449 126.329 122.820 0.101 0.000 2.366 281 A HA 0.248 4.568 4.320 0.000 0.000 0.272 281 A C 0.782 178.463 177.584 0.162 0.000 1.135 281 A CA 0.017 52.139 52.037 0.142 0.000 0.804 281 A CB 0.525 19.616 19.000 0.152 0.000 1.064 281 A HN 0.994 nan 8.150 nan 0.000 0.499 282 S N 1.769 117.580 115.700 0.186 0.000 2.558 282 S HA 0.148 4.618 4.470 0.000 0.000 0.217 282 S C 1.028 175.727 174.600 0.165 0.000 0.975 282 S CA 0.531 58.836 58.200 0.174 0.000 0.912 282 S CB 0.174 63.484 63.200 0.184 0.000 0.776 282 S HN 1.189 nan 8.310 nan 0.000 0.526 283 G N 1.885 110.806 108.800 0.203 0.000 4.291 283 G HA2 0.515 4.475 3.960 0.000 0.000 0.304 283 G HA3 0.515 4.475 3.960 0.000 0.000 0.304 283 G C -0.102 174.924 174.900 0.210 0.000 1.264 283 G CA -0.106 45.118 45.100 0.207 0.000 1.039 283 G HN 0.583 nan 8.290 nan 0.000 0.578 284 V N -2.730 117.289 119.914 0.176 0.000 3.046 284 V HA 0.577 4.697 4.120 0.000 0.000 0.316 284 V C 1.351 177.519 176.094 0.123 0.000 1.104 284 V CA -0.967 61.449 62.300 0.194 0.000 1.006 284 V CB 1.752 33.750 31.823 0.292 0.000 1.058 284 V HN 0.049 nan 8.190 nan 0.000 0.440 285 L N 2.689 123.999 121.223 0.146 0.000 2.043 285 L HA -0.074 4.267 4.340 0.000 0.000 0.212 285 L C 2.310 179.194 176.870 0.023 0.000 1.075 285 L CA 3.148 58.056 54.840 0.113 0.000 0.752 285 L CB -0.728 41.424 42.059 0.154 0.000 0.891 285 L HN 1.108 nan 8.230 nan 0.000 0.432 286 T N -5.645 108.849 114.554 -0.101 0.000 3.219 286 T HA 0.023 4.373 4.350 0.000 0.000 0.249 286 T C 1.492 176.142 174.700 -0.084 0.000 1.099 286 T CA 0.626 62.629 62.100 -0.162 0.000 0.988 286 T CB -0.704 67.931 68.868 -0.388 0.000 0.999 286 T HN 0.275 nan 8.240 nan 0.000 0.550 287 T N 1.865 116.404 114.554 -0.026 0.000 2.652 287 T HA -0.157 4.193 4.350 0.000 0.000 0.267 287 T C 2.208 176.940 174.700 0.054 0.000 1.039 287 T CA 1.751 63.873 62.100 0.036 0.000 1.153 287 T CB -0.648 68.265 68.868 0.075 0.000 0.863 287 T HN 0.546 nan 8.240 nan 0.000 0.428 288 S N -0.121 115.592 115.700 0.022 0.000 2.343 288 S HA -0.164 4.306 4.470 0.000 0.000 0.219 288 S C 2.460 177.106 174.600 0.076 0.000 1.033 288 S CA 1.513 59.727 58.200 0.024 0.000 1.014 288 S CB -1.006 62.110 63.200 -0.139 0.000 0.915 288 S HN 0.660 nan 8.310 nan 0.000 0.435 289 C N 1.301 120.614 119.300 0.022 0.000 2.413 289 C HA 0.073 4.534 4.460 0.000 0.000 0.276 289 C C 2.827 177.870 174.990 0.089 0.000 1.248 289 C CA 1.170 60.213 59.018 0.043 0.000 1.742 289 C CB -1.837 25.896 27.740 -0.011 0.000 2.017 289 C HN 0.732 nan 8.230 nan 0.000 0.481 290 G N 0.320 109.181 108.800 0.102 0.000 2.418 290 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 290 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 290 G C 1.530 176.517 174.900 0.145 0.000 1.158 290 G CA 0.982 46.145 45.100 0.105 0.000 0.771 290 G HN 0.586 nan 8.290 nan 0.000 0.545 291 N N 0.505 119.305 118.700 0.166 0.000 2.120 291 N HA -0.082 4.659 4.740 0.000 0.000 0.188 291 N C 2.441 178.005 175.510 0.090 0.000 1.024 291 N CA 1.653 54.828 53.050 0.209 0.000 0.852 291 N CB -0.789 37.748 38.487 0.083 0.000 1.003 291 N HN 0.244 nan 8.380 nan 0.000 0.424 292 T N 2.106 116.714 114.554 0.091 0.000 2.652 292 T HA -0.057 4.293 4.350 0.000 0.000 0.267 292 T C 2.173 176.945 174.700 0.121 0.000 1.039 292 T CA 0.851 63.013 62.100 0.102 0.000 1.153 292 T CB -0.489 68.511 68.868 0.221 0.000 0.863 292 T HN 0.125 nan 8.240 nan 0.000 0.428 293 L N 0.650 121.923 121.223 0.084 0.000 2.013 293 L HA -0.169 4.172 4.340 0.000 0.000 0.212 293 L C 2.951 179.913 176.870 0.154 0.000 1.073 293 L CA 1.445 56.321 54.840 0.059 0.000 0.753 293 L CB -1.126 40.921 42.059 -0.020 0.000 0.890 293 L HN 0.310 nan 8.230 nan 0.000 0.432 294 T N -1.575 113.091 114.554 0.187 0.000 2.857 294 T HA -0.202 4.148 4.350 0.000 0.000 0.266 294 T C 1.992 176.900 174.700 0.347 0.000 1.048 294 T CA 1.325 63.573 62.100 0.247 0.000 1.139 294 T CB -0.383 68.663 68.868 0.296 0.000 0.874 294 T HN 0.476 nan 8.240 nan 0.000 0.455 295 C N 0.633 120.164 119.300 0.387 0.000 2.453 295 C HA -0.048 4.412 4.460 0.000 0.000 0.277 295 C C 2.375 177.514 174.990 0.249 0.000 1.262 295 C CA 0.363 59.591 59.018 0.350 0.000 1.718 295 C CB -1.391 26.368 27.740 0.032 0.000 2.031 295 C HN 0.653 nan 8.230 nan 0.000 0.480 296 Y N 1.176 121.527 120.300 0.086 0.000 2.165 296 Y HA -0.148 4.402 4.550 0.000 0.000 0.286 296 Y C 2.175 178.092 175.900 0.028 0.000 1.155 296 Y CA 2.187 60.319 58.100 0.052 0.000 1.164 296 Y CB -0.561 37.913 38.460 0.023 0.000 0.978 296 Y HN 0.350 nan 8.280 nan 0.000 0.513 297 L N 1.068 122.385 121.223 0.156 0.000 1.994 297 L HA -0.179 4.161 4.340 0.000 0.000 0.208 297 L C 2.100 178.889 176.870 -0.135 0.000 1.071 297 L CA 2.010 56.828 54.840 -0.038 0.000 0.745 297 L CB -0.995 41.019 42.059 -0.075 0.000 0.892 297 L HN 0.158 nan 8.230 nan 0.000 0.431 298 K N -0.330 120.062 120.400 -0.014 0.000 2.026 298 K HA -0.099 4.221 4.320 0.000 0.000 0.208 298 K C 2.084 178.690 176.600 0.011 0.000 1.048 298 K CA 1.454 57.738 56.287 -0.004 0.000 0.929 298 K CB -0.456 32.138 32.500 0.156 0.000 0.713 298 K HN 0.505 nan 8.250 nan 0.000 0.439 299 A N 1.327 124.150 122.820 0.005 0.000 1.898 299 A HA -0.137 4.183 4.320 0.000 0.000 0.216 299 A C 2.219 179.807 177.584 0.006 0.000 1.181 299 A CA 1.851 53.906 52.037 0.029 0.000 0.620 299 A CB -0.533 18.572 19.000 0.175 0.000 0.819 299 A HN 0.243 nan 8.150 nan 0.000 0.442 300 S N 0.712 116.295 115.700 -0.194 0.000 2.368 300 S HA -0.070 4.400 4.470 0.000 0.000 0.225 300 S C 2.227 176.760 174.600 -0.111 0.000 1.030 300 S CA 1.231 59.290 58.200 -0.235 0.000 0.999 300 S CB -0.606 62.302 63.200 -0.486 0.000 0.844 300 S HN 0.810 nan 8.310 nan 0.000 0.459 301 A N 1.734 124.502 122.820 -0.086 0.000 1.933 301 A HA 0.200 4.520 4.320 0.000 0.000 0.218 301 A C 2.369 180.013 177.584 0.100 0.000 1.175 301 A CA 1.575 53.630 52.037 0.030 0.000 0.628 301 A CB -1.052 17.961 19.000 0.021 0.000 0.814 301 A HN 0.565 nan 8.150 nan 0.000 0.444 302 A N -1.244 121.622 122.820 0.077 0.000 2.014 302 A HA -0.076 4.244 4.320 0.000 0.000 0.218 302 A C 2.193 179.784 177.584 0.012 0.000 1.163 302 A CA 1.446 53.403 52.037 -0.133 0.000 0.652 302 A CB -1.060 17.471 19.000 -0.782 0.000 0.808 302 A HN 0.593 nan 8.150 nan 0.000 0.449 303 C N -0.791 118.601 119.300 0.154 0.000 2.440 303 C HA -0.042 4.419 4.460 0.000 0.000 0.278 303 C C 2.834 177.828 174.990 0.006 0.000 1.295 303 C CA 0.923 60.060 59.018 0.198 0.000 1.738 303 C CB -1.225 26.598 27.740 0.138 0.000 1.987 303 C HN 0.614 nan 8.230 nan 0.000 0.492 304 R N 1.368 121.778 120.500 -0.149 0.000 2.066 304 R HA -0.063 4.277 4.340 0.000 0.000 0.232 304 R C 2.476 178.492 176.300 -0.473 0.000 1.131 304 R CA 1.530 57.390 56.100 -0.400 0.000 0.955 304 R CB -0.618 29.253 30.300 -0.716 0.000 0.851 304 R HN 0.512 nan 8.270 nan 0.000 0.432 305 A N 1.530 124.139 122.820 -0.352 0.000 1.917 305 A HA -0.168 4.152 4.320 0.000 0.000 0.219 305 A C 2.253 179.823 177.584 -0.023 0.000 1.182 305 A CA 1.974 53.968 52.037 -0.073 0.000 0.633 305 A CB -0.587 18.416 19.000 0.005 0.000 0.819 305 A HN 0.420 nan 8.150 nan 0.000 0.448 306 A N -1.610 121.210 122.820 0.001 0.000 2.251 306 A HA 0.287 4.607 4.320 0.000 0.000 0.209 306 A C 0.989 178.593 177.584 0.034 0.000 1.187 306 A CA 0.731 52.798 52.037 0.051 0.000 0.823 306 A CB -0.424 18.671 19.000 0.158 0.000 0.846 306 A HN 0.506 nan 8.150 nan 0.000 0.486 307 K N -1.008 119.392 120.400 0.001 0.000 3.012 307 K HA -0.175 4.145 4.320 0.000 0.000 0.259 307 K C -0.858 175.752 176.600 0.017 0.000 0.989 307 K CA 0.152 56.439 56.287 0.000 0.000 0.728 307 K CB -1.690 30.815 32.500 0.009 0.000 1.260 307 K HN 0.332 nan 8.250 nan 0.000 0.480 308 L N 1.585 122.830 121.223 0.037 0.000 2.525 308 L HA -0.044 4.296 4.340 0.000 0.000 0.278 308 L C 1.053 177.933 176.870 0.017 0.000 1.218 308 L CA 1.176 56.041 54.840 0.042 0.000 0.878 308 L CB 0.351 42.457 42.059 0.079 0.000 1.127 308 L HN 0.131 nan 8.230 nan 0.000 0.492 309 Q N 2.085 121.888 119.800 0.007 0.000 2.241 309 Q HA 0.112 4.452 4.340 0.000 0.000 0.254 309 Q C -0.274 175.713 176.000 -0.021 0.000 0.917 309 Q CA -0.669 55.129 55.803 -0.008 0.000 0.919 309 Q CB 1.153 29.884 28.738 -0.012 0.000 1.237 309 Q HN 0.526 nan 8.270 nan 0.000 0.434 310 D N 1.032 121.418 120.400 -0.022 0.000 2.980 310 D HA -0.206 4.434 4.640 0.000 0.000 0.218 310 D C -1.315 174.962 176.300 -0.039 0.000 1.225 310 D CA 0.432 54.413 54.000 -0.031 0.000 0.804 310 D CB -0.706 40.068 40.800 -0.044 0.000 0.906 310 D HN 0.458 nan 8.370 nan 0.000 0.396 311 C N 2.437 121.723 119.300 -0.023 0.000 2.295 311 C HA 0.688 5.148 4.460 0.000 0.000 0.331 311 C C 0.179 175.160 174.990 -0.015 0.000 1.280 311 C CA -0.172 58.832 59.018 -0.024 0.000 1.746 311 C CB 0.519 28.256 27.740 -0.005 0.000 2.328 311 C HN 0.535 nan 8.230 nan 0.000 0.521 312 T N 7.255 121.792 114.554 -0.029 0.000 2.809 312 T HA 0.429 4.779 4.350 0.000 0.000 0.284 312 T C -0.407 174.313 174.700 0.032 0.000 0.992 312 T CA -0.176 61.936 62.100 0.019 0.000 0.957 312 T CB 1.198 70.049 68.868 -0.028 0.000 0.942 312 T HN 0.663 nan 8.240 nan 0.000 0.439 313 M N 3.133 122.792 119.600 0.097 0.000 2.423 313 M HA 0.634 5.114 4.480 0.000 0.000 0.335 313 M C -1.215 175.188 176.300 0.171 0.000 1.177 313 M CA -0.927 54.420 55.300 0.078 0.000 1.038 313 M CB 1.476 34.112 32.600 0.060 0.000 1.641 313 M HN 0.368 nan 8.290 nan 0.000 0.455 314 L N 3.729 125.008 121.223 0.092 0.000 2.404 314 L HA 0.668 5.008 4.340 0.000 0.000 0.272 314 L C -1.634 175.213 176.870 -0.039 0.000 0.980 314 L CA -0.457 54.411 54.840 0.047 0.000 0.836 314 L CB 1.810 43.919 42.059 0.084 0.000 1.238 314 L HN 0.446 nan 8.230 nan 0.000 0.408 315 V N 4.208 124.075 119.914 -0.079 0.000 2.487 315 V HA 0.593 4.713 4.120 0.000 0.000 0.298 315 V C -0.806 175.071 176.094 -0.362 0.000 1.028 315 V CA -0.652 61.579 62.300 -0.116 0.000 0.860 315 V CB 1.937 33.790 31.823 0.050 0.000 0.991 315 V HN 0.793 nan 8.190 nan 0.000 0.427 316 N N 3.642 122.068 118.700 -0.457 0.000 2.573 316 N HA 0.642 5.382 4.740 0.000 0.000 0.262 316 N C 0.585 175.903 175.510 -0.319 0.000 1.029 316 N CA 0.471 52.998 53.050 -0.872 0.000 0.882 316 N CB 1.774 39.587 38.487 -1.124 0.000 1.204 316 N HN 1.063 nan 8.380 nan 0.000 0.519 317 G N 2.494 111.258 108.800 -0.059 0.000 2.622 317 G HA2 -0.398 3.562 3.960 0.000 0.000 0.307 317 G HA3 -0.398 3.562 3.960 0.000 0.000 0.307 317 G C 0.469 175.187 174.900 -0.304 0.000 1.226 317 G CA 0.728 45.808 45.100 -0.032 0.000 0.997 317 G HN 0.649 nan 8.290 nan 0.000 0.551 318 D N 1.279 121.431 120.400 -0.414 0.000 2.349 318 D HA 0.093 4.733 4.640 0.000 0.000 0.224 318 D C 0.357 176.532 176.300 -0.208 0.000 1.029 318 D CA 0.861 54.472 54.000 -0.649 0.000 0.879 318 D CB -0.070 40.425 40.800 -0.507 0.000 0.906 318 D HN 0.408 nan 8.370 nan 0.000 0.528 319 D N 0.681 121.000 120.400 -0.135 0.000 2.317 319 D HA 0.297 4.937 4.640 0.000 0.000 0.234 319 D C -1.076 175.191 176.300 -0.054 0.000 1.112 319 D CA -0.625 53.339 54.000 -0.059 0.000 0.840 319 D CB 1.165 41.923 40.800 -0.070 0.000 1.078 319 D HN 0.047 nan 8.370 nan 0.000 0.486 320 L N 5.179 126.416 121.223 0.024 0.000 2.381 320 L HA 0.536 4.876 4.340 0.000 0.000 0.274 320 L C -1.745 175.107 176.870 -0.030 0.000 0.988 320 L CA -0.687 54.171 54.840 0.031 0.000 0.824 320 L CB 1.861 44.013 42.059 0.155 0.000 1.263 320 L HN 0.138 nan 8.230 nan 0.000 0.410 321 V N 5.926 125.778 119.914 -0.103 0.000 2.656 321 V HA 0.778 4.898 4.120 0.000 0.000 0.307 321 V C -1.327 174.594 176.094 -0.288 0.000 1.051 321 V CA -0.390 61.782 62.300 -0.213 0.000 0.893 321 V CB 2.424 34.165 31.823 -0.137 0.000 0.999 321 V HN 0.590 nan 8.190 nan 0.000 0.426 322 V N 7.627 127.188 119.914 -0.589 0.000 2.487 322 V HA 0.576 4.696 4.120 0.000 0.000 0.298 322 V C -0.321 175.534 176.094 -0.398 0.000 1.028 322 V CA -0.452 61.516 62.300 -0.554 0.000 0.860 322 V CB 1.671 32.925 31.823 -0.949 0.000 0.991 322 V HN 0.732 nan 8.190 nan 0.000 0.427 323 I N 5.062 125.523 120.570 -0.182 0.000 2.433 323 I HA 0.740 4.911 4.170 0.000 0.000 0.292 323 I C 0.018 176.070 176.117 -0.108 0.000 1.001 323 I CA -0.313 60.929 61.300 -0.096 0.000 1.119 323 I CB 1.655 39.648 38.000 -0.012 0.000 1.289 323 I HN 0.897 nan 8.210 nan 0.000 0.438 324 C N 2.342 121.578 119.300 -0.107 0.000 3.316 324 C HA 0.546 5.006 4.460 0.000 0.000 0.360 324 C C -0.727 174.194 174.990 -0.115 0.000 1.560 324 C CA -0.942 58.024 59.018 -0.087 0.000 1.229 324 C CB 1.762 29.488 27.740 -0.024 0.000 1.823 324 C HN 0.619 nan 8.230 nan 0.000 0.440 325 E N 1.847 121.998 120.200 -0.081 0.000 2.259 325 E HA 0.300 4.650 4.350 0.000 0.000 0.281 325 E C 0.188 176.767 176.600 -0.036 0.000 1.037 325 E CA 0.495 56.846 56.400 -0.083 0.000 0.854 325 E CB 1.655 31.317 29.700 -0.063 0.000 1.051 325 E HN 0.711 nan 8.360 nan 0.000 0.409 326 S N 1.815 117.502 115.700 -0.021 0.000 2.572 326 S HA 0.243 4.713 4.470 0.000 0.000 0.279 326 S C 0.432 175.044 174.600 0.020 0.000 1.341 326 S CA 0.158 58.391 58.200 0.056 0.000 1.043 326 S CB 0.541 63.824 63.200 0.139 0.000 0.887 326 S HN 0.522 nan 8.310 nan 0.000 0.516 327 A N 3.187 126.028 122.820 0.034 0.000 2.594 327 A HA 0.650 4.970 4.320 0.000 0.000 0.287 327 A C 0.846 178.433 177.584 0.004 0.000 1.227 327 A CA 0.202 52.244 52.037 0.009 0.000 0.952 327 A CB -0.883 18.123 19.000 0.010 0.000 1.161 327 A HN 1.942 nan 8.150 nan 0.000 0.524 328 G N -0.854 107.947 108.800 0.001 0.000 2.712 328 G HA2 -0.037 3.923 3.960 0.000 0.000 0.686 328 G HA3 -0.037 3.923 3.960 0.000 0.000 0.686 328 G C 0.688 175.596 174.900 0.012 0.000 1.321 328 G CA 0.185 45.264 45.100 -0.035 0.000 0.813 328 G HN 1.284 nan 8.290 nan 0.000 0.599 329 T N -1.879 112.661 114.554 -0.025 0.000 2.759 329 T HA -0.207 4.144 4.350 0.000 0.000 0.269 329 T C 2.116 176.854 174.700 0.063 0.000 1.042 329 T CA 2.292 64.434 62.100 0.069 0.000 1.140 329 T CB -0.172 68.710 68.868 0.023 0.000 0.864 329 T HN 0.925 nan 8.240 nan 0.000 0.455 330 Q N 0.542 120.356 119.800 0.023 0.000 2.083 330 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 330 Q C 2.421 178.430 176.000 0.015 0.000 0.969 330 Q CA 1.135 56.948 55.803 0.016 0.000 0.838 330 Q CB -0.014 28.727 28.738 0.004 0.000 0.900 330 Q HN 0.506 nan 8.270 nan 0.000 0.436 331 E N 0.734 120.944 120.200 0.015 0.000 2.106 331 E HA -0.157 4.193 4.350 0.000 0.000 0.192 331 E C 1.638 178.248 176.600 0.016 0.000 0.984 331 E CA 1.066 57.473 56.400 0.012 0.000 0.806 331 E CB -0.038 29.668 29.700 0.010 0.000 0.750 331 E HN 0.475 nan 8.360 nan 0.000 0.458 332 D N 0.860 121.284 120.400 0.040 0.000 2.117 332 D HA -0.122 4.519 4.640 0.000 0.000 0.197 332 D C 1.861 178.149 176.300 -0.020 0.000 0.987 332 D CA 1.451 55.472 54.000 0.035 0.000 0.829 332 D CB -0.256 40.622 40.800 0.131 0.000 0.961 332 D HN 0.143 nan 8.370 nan 0.000 0.460 333 A N 0.878 123.700 122.820 0.002 0.000 1.933 333 A HA -0.026 4.294 4.320 0.000 0.000 0.218 333 A C 2.288 179.852 177.584 -0.034 0.000 1.175 333 A CA 2.154 54.177 52.037 -0.023 0.000 0.628 333 A CB -0.643 18.358 19.000 0.003 0.000 0.814 333 A HN 0.238 nan 8.150 nan 0.000 0.444 334 A N -0.840 121.970 122.820 -0.017 0.000 1.930 334 A HA -0.015 4.305 4.320 0.000 0.000 0.217 334 A C 2.429 180.004 177.584 -0.016 0.000 1.175 334 A CA 1.880 53.910 52.037 -0.012 0.000 0.627 334 A CB -0.783 18.215 19.000 -0.004 0.000 0.815 334 A HN 0.424 nan 8.150 nan 0.000 0.443 335 S N 0.000 115.686 115.700 -0.023 0.000 2.356 335 S HA -0.101 4.369 4.470 0.000 0.000 0.223 335 S C 1.818 176.394 174.600 -0.040 0.000 1.032 335 S CA 1.514 59.702 58.200 -0.019 0.000 1.005 335 S CB -0.430 62.755 63.200 -0.025 0.000 0.867 335 S HN 0.530 nan 8.310 nan 0.000 0.449 336 L N 0.721 121.860 121.223 -0.140 0.000 2.093 336 L HA -0.045 4.295 4.340 0.000 0.000 0.208 336 L C 2.656 179.512 176.870 -0.024 0.000 1.085 336 L CA 1.070 55.771 54.840 -0.231 0.000 0.755 336 L CB -0.589 41.194 42.059 -0.459 0.000 0.904 336 L HN 0.243 nan 8.230 nan 0.000 0.435 337 R N -0.157 120.333 120.500 -0.016 0.000 2.091 337 R HA -0.134 4.206 4.340 0.000 0.000 0.238 337 R C 2.291 178.605 176.300 0.024 0.000 1.136 337 R CA 1.321 57.429 56.100 0.014 0.000 0.959 337 R CB -0.411 29.889 30.300 -0.001 0.000 0.856 337 R HN 0.189 nan 8.270 nan 0.000 0.437 338 V N 0.490 120.416 119.914 0.020 0.000 2.379 338 V HA -0.222 3.898 4.120 0.000 0.000 0.245 338 V C 1.905 177.999 176.094 0.000 0.000 1.044 338 V CA 1.589 63.892 62.300 0.004 0.000 1.036 338 V CB -0.556 31.273 31.823 0.011 0.000 0.664 338 V HN 0.225 nan 8.190 nan 0.000 0.453 339 F N 1.543 121.438 119.950 -0.092 0.000 2.120 339 F HA -0.275 4.253 4.527 0.000 0.000 0.300 339 F C 2.376 178.099 175.800 -0.129 0.000 1.095 339 F CA 2.439 60.376 58.000 -0.106 0.000 1.249 339 F CB -0.452 38.478 39.000 -0.116 0.000 0.995 339 F HN 0.132 nan 8.300 nan 0.000 0.480 340 T N -0.327 114.284 114.554 0.096 0.000 2.812 340 T HA -0.151 4.200 4.350 0.000 0.000 0.264 340 T C 1.698 176.378 174.700 -0.033 0.000 1.042 340 T CA 1.550 63.721 62.100 0.119 0.000 1.140 340 T CB -0.283 68.737 68.868 0.253 0.000 0.870 340 T HN 0.356 nan 8.240 nan 0.000 0.445 341 E N 0.995 121.155 120.200 -0.067 0.000 2.077 341 E HA -0.058 4.292 4.350 0.000 0.000 0.193 341 E C 2.492 178.947 176.600 -0.242 0.000 0.989 341 E CA 0.991 57.323 56.400 -0.112 0.000 0.800 341 E CB -0.190 29.458 29.700 -0.086 0.000 0.746 341 E HN 0.466 nan 8.360 nan 0.000 0.452 342 A N 1.179 123.798 122.820 -0.336 0.000 1.858 342 A HA -0.206 4.114 4.320 0.000 0.000 0.216 342 A C 2.136 179.252 177.584 -0.780 0.000 1.190 342 A CA 1.366 53.046 52.037 -0.595 0.000 0.617 342 A CB -0.403 18.303 19.000 -0.491 0.000 0.827 342 A HN 0.120 nan 8.150 nan 0.000 0.443 343 M N -0.109 119.159 119.600 -0.554 0.000 2.103 343 M HA -0.174 4.306 4.480 0.000 0.000 0.255 343 M C 2.184 178.410 176.300 -0.123 0.000 1.074 343 M CA 2.317 57.437 55.300 -0.300 0.000 1.090 343 M CB -2.158 30.167 32.600 -0.458 0.000 1.325 343 M HN 0.473 nan 8.290 nan 0.000 0.403 344 T N -0.162 114.315 114.554 -0.128 0.000 2.737 344 T HA -0.100 4.250 4.350 0.000 0.000 0.265 344 T C 1.976 176.615 174.700 -0.102 0.000 1.038 344 T CA 1.090 63.156 62.100 -0.058 0.000 1.144 344 T CB -0.185 68.657 68.868 -0.043 0.000 0.866 344 T HN 0.365 nan 8.240 nan 0.000 0.434 345 R N 0.030 120.397 120.500 -0.222 0.000 2.139 345 R HA -0.103 4.237 4.340 0.000 0.000 0.243 345 R C 1.602 177.832 176.300 -0.118 0.000 1.145 345 R CA 1.288 57.252 56.100 -0.226 0.000 0.976 345 R CB -0.286 29.795 30.300 -0.365 0.000 0.866 345 R HN 0.442 nan 8.270 nan 0.000 0.449 346 Y N -0.261 119.982 120.300 -0.096 0.000 2.471 346 Y HA 0.125 4.675 4.550 0.000 0.000 0.286 346 Y C 0.797 176.645 175.900 -0.087 0.000 1.188 346 Y CA -0.387 57.641 58.100 -0.119 0.000 1.286 346 Y CB -0.043 38.371 38.460 -0.077 0.000 1.072 346 Y HN -0.059 nan 8.280 nan 0.000 0.517 347 S N 0.141 115.884 115.700 0.071 0.000 3.886 347 S HA -0.091 4.379 4.470 0.000 0.000 0.398 347 S C -0.037 174.582 174.600 0.032 0.000 0.931 347 S CA 0.483 58.708 58.200 0.042 0.000 1.217 347 S CB -1.392 61.821 63.200 0.021 0.000 0.874 347 S HN 0.716 nan 8.310 nan 0.000 0.521 348 A N 1.856 124.721 122.820 0.075 0.000 3.448 348 A HA 0.565 4.885 4.320 0.000 0.000 0.232 348 A C -2.414 175.316 177.584 0.243 0.000 1.018 348 A CA -0.629 51.487 52.037 0.132 0.000 0.996 348 A CB 0.877 19.997 19.000 0.200 0.000 1.283 348 A HN 0.442 nan 8.150 nan 0.000 0.586 349 P HA 0.315 nan 4.420 nan 0.000 0.274 349 P C -2.887 174.476 177.300 0.104 0.000 1.237 349 P CA -1.158 62.015 63.100 0.122 0.000 0.793 349 P CB 0.499 32.194 31.700 -0.008 0.000 0.977 350 P HA 0.079 nan 4.420 nan 0.000 0.277 350 P C 0.699 177.925 177.300 -0.122 0.000 1.240 350 P CA 0.106 63.089 63.100 -0.195 0.000 0.798 350 P CB 0.713 32.317 31.700 -0.159 0.000 0.979 351 G N 1.805 110.521 108.800 -0.139 0.000 2.629 351 G HA2 -0.008 3.952 3.960 0.000 0.000 0.213 351 G HA3 -0.008 3.952 3.960 0.000 0.000 0.213 351 G C -0.084 174.769 174.900 -0.079 0.000 1.425 351 G CA 0.068 45.121 45.100 -0.079 0.000 0.929 351 G HN 0.493 nan 8.290 nan 0.000 0.527 352 D N 2.623 122.976 120.400 -0.078 0.000 2.351 352 D HA 0.247 4.887 4.640 0.000 0.000 0.251 352 D C -2.122 174.129 176.300 -0.082 0.000 1.137 352 D CA -0.812 53.151 54.000 -0.062 0.000 0.879 352 D CB 1.416 42.192 40.800 -0.041 0.000 1.181 352 D HN 0.089 nan 8.370 nan 0.000 0.448 353 P HA 0.094 nan 4.420 nan 0.000 0.268 353 P C -2.474 174.824 177.300 -0.003 0.000 1.205 353 P CA -1.023 62.067 63.100 -0.017 0.000 0.771 353 P CB -0.183 31.517 31.700 0.000 0.000 0.858 354 P HA 0.120 nan 4.420 nan 0.000 0.271 354 P C -0.544 176.731 177.300 -0.042 0.000 1.216 354 P CA 0.214 63.339 63.100 0.042 0.000 0.776 354 P CB 0.569 32.298 31.700 0.049 0.000 0.881 355 Q N 2.610 122.409 119.800 -0.003 0.000 2.337 355 Q HA 0.424 4.764 4.340 0.000 0.000 0.266 355 Q C -2.325 173.663 176.000 -0.021 0.000 1.023 355 Q CA -2.273 53.517 55.803 -0.022 0.000 0.829 355 Q CB 1.580 30.322 28.738 0.006 0.000 1.306 355 Q HN 0.382 nan 8.270 nan 0.000 0.449 356 P HA 0.149 nan 4.420 nan 0.000 0.271 356 P C -0.409 176.706 177.300 -0.309 0.000 1.216 356 P CA -0.023 62.969 63.100 -0.179 0.000 0.776 356 P CB 1.249 32.834 31.700 -0.191 0.000 0.881 357 E N 1.721 121.691 120.200 -0.383 0.000 2.277 357 E HA 0.269 4.619 4.350 0.000 0.000 0.266 357 E C -0.568 175.787 176.600 -0.409 0.000 0.901 357 E CA -0.442 55.785 56.400 -0.289 0.000 0.782 357 E CB 1.561 31.222 29.700 -0.065 0.000 1.228 357 E HN 0.436 nan 8.360 nan 0.000 0.424 358 Y N -0.575 119.883 120.300 0.264 0.000 2.563 358 Y HA 0.162 4.712 4.550 0.000 0.000 0.250 358 Y C 0.093 176.278 175.900 0.475 0.000 1.126 358 Y CA -0.497 57.826 58.100 0.371 0.000 1.231 358 Y CB 1.052 39.619 38.460 0.178 0.000 1.288 358 Y HN 0.295 nan 8.280 nan 0.000 0.537 359 D N 0.363 120.944 120.400 0.302 0.000 2.425 359 D HA 0.160 4.801 4.640 0.000 0.000 0.240 359 D C 0.866 176.923 176.300 -0.405 0.000 1.080 359 D CA -0.352 53.672 54.000 0.040 0.000 0.836 359 D CB 1.506 42.334 40.800 0.046 0.000 1.125 359 D HN 0.015 nan 8.370 nan 0.000 0.525 360 L N 4.065 124.670 121.223 -1.030 0.000 2.051 360 L HA -0.147 4.193 4.340 0.000 0.000 0.214 360 L C 1.487 178.010 176.870 -0.578 0.000 1.076 360 L CA 2.017 56.102 54.840 -1.259 0.000 0.758 360 L CB -0.510 40.623 42.059 -1.544 0.000 0.890 360 L HN 0.609 nan 8.230 nan 0.000 0.433 361 E N -1.065 118.912 120.200 -0.372 0.000 2.409 361 E HA -0.116 4.234 4.350 0.000 0.000 0.198 361 E C 1.800 178.308 176.600 -0.153 0.000 1.024 361 E CA 0.475 56.746 56.400 -0.214 0.000 0.861 361 E CB -0.062 29.564 29.700 -0.124 0.000 0.788 361 E HN 0.532 nan 8.360 nan 0.000 0.521 362 L N 0.673 121.801 121.223 -0.158 0.000 2.640 362 L HA 0.240 4.580 4.340 0.000 0.000 0.230 362 L C 0.548 177.360 176.870 -0.097 0.000 1.123 362 L CA -0.106 54.678 54.840 -0.093 0.000 0.900 362 L CB 0.362 42.391 42.059 -0.050 0.000 1.146 362 L HN 0.045 nan 8.230 nan 0.000 0.484 363 I N 0.707 121.186 120.570 -0.153 0.000 2.337 363 I HA 0.071 4.241 4.170 0.000 0.000 0.291 363 I C 0.105 176.167 176.117 -0.092 0.000 1.046 363 I CA 0.218 61.446 61.300 -0.120 0.000 1.324 363 I CB 1.231 39.133 38.000 -0.163 0.000 1.409 363 I HN -0.050 nan 8.210 nan 0.000 0.494 364 T N 5.350 119.873 114.554 -0.052 0.000 2.767 364 T HA 0.438 4.788 4.350 0.000 0.000 0.288 364 T C -0.140 174.547 174.700 -0.022 0.000 0.963 364 T CA -0.550 61.532 62.100 -0.031 0.000 1.019 364 T CB 0.858 69.716 68.868 -0.016 0.000 0.923 364 T HN 0.747 nan 8.240 nan 0.000 0.468 365 S N 0.817 116.507 115.700 -0.017 0.000 2.543 365 S HA 0.384 4.854 4.470 0.000 0.000 0.271 365 S C 0.018 174.622 174.600 0.007 0.000 1.148 365 S CA -0.889 57.301 58.200 -0.016 0.000 0.914 365 S CB 0.467 63.640 63.200 -0.045 0.000 1.096 365 S HN 0.894 nan 8.310 nan 0.000 0.471 366 C N 2.148 121.454 119.300 0.011 0.000 4.114 366 C HA -0.165 4.296 4.460 0.000 0.000 0.300 366 C C 1.386 176.439 174.990 0.104 0.000 1.423 366 C CA 0.746 59.796 59.018 0.054 0.000 2.034 366 C CB -3.314 24.457 27.740 0.052 0.000 1.299 366 C HN 1.750 nan 8.230 nan 0.000 0.727 367 S N -1.725 114.020 115.700 0.076 0.000 3.445 367 S HA -0.198 4.272 4.470 0.000 0.000 0.319 367 S C 0.265 174.916 174.600 0.084 0.000 1.209 367 S CA 1.266 59.510 58.200 0.075 0.000 0.934 367 S CB -0.909 62.346 63.200 0.092 0.000 0.999 367 S HN 1.058 nan 8.310 nan 0.000 0.582 368 S N 1.661 117.416 115.700 0.092 0.000 2.595 368 S HA 0.749 5.219 4.470 0.000 0.000 0.281 368 S C -0.487 174.137 174.600 0.039 0.000 1.117 368 S CA -0.985 57.287 58.200 0.120 0.000 0.873 368 S CB 1.844 65.178 63.200 0.224 0.000 1.108 368 S HN 0.574 nan 8.310 nan 0.000 0.477 369 N N -0.500 118.211 118.700 0.019 0.000 2.284 369 N HA 0.435 5.175 4.740 0.000 0.000 0.289 369 N C -1.384 174.063 175.510 -0.104 0.000 1.179 369 N CA -0.583 52.432 53.050 -0.059 0.000 0.774 369 N CB 1.213 39.657 38.487 -0.071 0.000 1.548 369 N HN 0.333 nan 8.380 nan 0.000 0.473 370 V N 0.741 120.554 119.914 -0.169 0.000 2.637 370 V HA 0.279 4.399 4.120 0.000 0.000 0.296 370 V C 0.539 176.492 176.094 -0.234 0.000 1.046 370 V CA 0.289 62.459 62.300 -0.217 0.000 1.066 370 V CB 0.841 32.504 31.823 -0.268 0.000 0.968 370 V HN 0.858 nan 8.190 nan 0.000 0.483 371 S N 3.162 118.634 115.700 -0.379 0.000 2.732 371 S HA 0.780 5.251 4.470 0.000 0.000 0.293 371 S C -1.284 173.182 174.600 -0.224 0.000 1.159 371 S CA -0.483 57.523 58.200 -0.323 0.000 0.847 371 S CB 2.066 65.046 63.200 -0.367 0.000 1.169 371 S HN 0.643 nan 8.310 nan 0.000 0.501 372 V N 1.235 121.121 119.914 -0.046 0.000 2.656 372 V HA 0.962 5.082 4.120 0.000 0.000 0.307 372 V C -0.192 175.904 176.094 0.003 0.000 1.051 372 V CA 0.333 62.579 62.300 -0.090 0.000 0.893 372 V CB 1.008 32.662 31.823 -0.282 0.000 0.999 372 V HN 1.265 nan 8.190 nan 0.000 0.426 373 A N 5.159 127.876 122.820 -0.172 0.000 2.701 373 A HA 0.854 5.174 4.320 0.000 0.000 0.290 373 A C -1.141 176.039 177.584 -0.673 0.000 1.267 373 A CA -0.593 51.192 52.037 -0.421 0.000 0.709 373 A CB 1.628 20.138 19.000 -0.817 0.000 1.352 373 A HN 0.905 nan 8.150 nan 0.000 0.519 374 H N 0.418 119.118 119.070 -0.617 0.000 2.637 374 H HA 0.351 4.907 4.556 0.000 0.000 0.363 374 H C -1.011 173.916 175.328 -0.668 0.000 1.131 374 H CA -0.443 55.242 56.048 -0.605 0.000 1.183 374 H CB 1.822 31.204 29.762 -0.634 0.000 1.637 374 H HN 0.906 nan 8.280 nan 0.000 0.531 375 D N 0.923 121.185 120.400 -0.231 0.000 2.447 375 D HA 0.117 4.757 4.640 0.000 0.000 0.265 375 D C 1.215 177.582 176.300 0.112 0.000 1.250 375 D CA -0.333 53.613 54.000 -0.091 0.000 1.046 375 D CB 0.470 41.241 40.800 -0.049 0.000 1.095 375 D HN 0.471 nan 8.370 nan 0.000 0.555 376 A N 0.029 122.937 122.820 0.146 0.000 1.908 376 A HA -0.158 4.162 4.320 0.000 0.000 0.218 376 A C 2.179 179.852 177.584 0.148 0.000 1.181 376 A CA 2.105 54.248 52.037 0.177 0.000 0.627 376 A CB -1.084 17.974 19.000 0.097 0.000 0.818 376 A HN 0.552 nan 8.150 nan 0.000 0.445 377 S N -1.402 114.357 115.700 0.097 0.000 2.465 377 S HA 0.165 4.635 4.470 0.000 0.000 0.241 377 S C 1.641 176.292 174.600 0.085 0.000 1.000 377 S CA 1.337 59.580 58.200 0.070 0.000 0.964 377 S CB -0.404 62.823 63.200 0.045 0.000 0.763 377 S HN 1.777 nan 8.310 nan 0.000 0.512 378 G N 1.423 110.306 108.800 0.138 0.000 2.175 378 G HA2 -0.302 3.658 3.960 0.000 0.000 0.244 378 G HA3 -0.302 3.658 3.960 0.000 0.000 0.244 378 G C 0.071 175.063 174.900 0.154 0.000 0.982 378 G CA 0.280 45.461 45.100 0.136 0.000 0.641 378 G HN 0.639 nan 8.290 nan 0.000 0.527 379 K N 1.142 121.593 120.400 0.086 0.000 2.298 379 K HA 0.473 4.794 4.320 0.000 0.000 0.280 379 K C 0.577 177.145 176.600 -0.054 0.000 1.032 379 K CA -0.688 55.619 56.287 0.033 0.000 0.958 379 K CB 0.444 32.945 32.500 0.001 0.000 0.978 379 K HN 0.276 nan 8.250 nan 0.000 0.472 380 R N 1.945 122.356 120.500 -0.150 0.000 2.537 380 R HA 0.139 4.479 4.340 0.000 0.000 0.280 380 R C -0.545 175.515 176.300 -0.400 0.000 1.058 380 R CA -0.225 55.607 56.100 -0.446 0.000 1.057 380 R CB 1.199 31.226 30.300 -0.454 0.000 0.973 380 R HN 0.458 nan 8.270 nan 0.000 0.438 381 V N 4.778 124.410 119.914 -0.470 0.000 2.709 381 V HA 0.382 4.503 4.120 0.000 0.000 0.308 381 V C -1.514 174.404 176.094 -0.294 0.000 1.062 381 V CA -0.741 61.379 62.300 -0.300 0.000 0.901 381 V CB 1.553 33.262 31.823 -0.190 0.000 1.003 381 V HN 0.586 nan 8.190 nan 0.000 0.425 382 Y N 7.003 127.288 120.300 -0.024 0.000 2.334 382 Y HA 0.728 5.278 4.550 0.000 0.000 0.328 382 Y C -0.003 175.947 175.900 0.083 0.000 1.130 382 Y CA -0.089 58.000 58.100 -0.019 0.000 1.163 382 Y CB 1.510 39.924 38.460 -0.077 0.000 1.207 382 Y HN 0.785 nan 8.280 nan 0.000 0.471 383 Y N 0.264 120.631 120.300 0.112 0.000 2.670 383 Y HA 0.687 5.237 4.550 0.000 0.000 0.334 383 Y C -2.422 173.527 175.900 0.082 0.000 1.185 383 Y CA -1.838 56.298 58.100 0.059 0.000 1.053 383 Y CB 0.703 39.168 38.460 0.008 0.000 1.298 383 Y HN 0.417 nan 8.280 nan 0.000 0.459 384 L N 2.113 123.386 121.223 0.083 0.000 2.295 384 L HA 0.752 5.092 4.340 0.000 0.000 0.285 384 L C 0.002 177.048 176.870 0.293 0.000 1.035 384 L CA 0.306 55.186 54.840 0.066 0.000 0.806 384 L CB 1.415 43.538 42.059 0.107 0.000 1.214 384 L HN 1.014 nan 8.230 nan 0.000 0.426 385 T N 4.316 119.003 114.554 0.220 0.000 2.804 385 T HA 0.884 5.234 4.350 0.000 0.000 0.290 385 T C -1.096 173.769 174.700 0.275 0.000 1.099 385 T CA -0.615 61.733 62.100 0.413 0.000 1.011 385 T CB 1.230 70.318 68.868 0.367 0.000 1.291 385 T HN 0.798 nan 8.240 nan 0.000 0.523 386 R N 0.494 121.080 120.500 0.144 0.000 2.733 386 R HA 0.485 4.825 4.340 0.000 0.000 0.272 386 R C -1.461 174.689 176.300 -0.250 0.000 1.029 386 R CA -1.009 55.052 56.100 -0.065 0.000 0.888 386 R CB 0.411 30.613 30.300 -0.163 0.000 1.251 386 R HN 0.516 nan 8.270 nan 0.000 0.464 387 D N 1.771 122.018 120.400 -0.255 0.000 2.458 387 D HA 0.044 4.684 4.640 0.000 0.000 0.243 387 D C -1.398 174.524 176.300 -0.630 0.000 1.146 387 D CA -1.264 52.529 54.000 -0.346 0.000 0.877 387 D CB 1.258 41.939 40.800 -0.198 0.000 1.176 387 D HN 0.352 nan 8.370 nan 0.000 0.461 388 P HA 0.025 nan 4.420 nan 0.000 0.253 388 P C 1.058 178.016 177.300 -0.571 0.000 1.260 388 P CA 0.105 62.477 63.100 -1.214 0.000 0.800 388 P CB 0.335 31.209 31.700 -1.378 0.000 1.162 389 T N -0.413 113.936 114.554 -0.341 0.000 2.708 389 T HA -0.101 4.249 4.350 0.000 0.000 0.266 389 T C 1.761 176.402 174.700 -0.098 0.000 1.037 389 T CA 2.135 64.139 62.100 -0.158 0.000 1.146 389 T CB -0.923 67.898 68.868 -0.080 0.000 0.865 389 T HN 0.187 nan 8.240 nan 0.000 0.435 390 T N 2.162 116.658 114.554 -0.097 0.000 2.737 390 T HA -0.035 4.315 4.350 0.000 0.000 0.265 390 T C -0.606 174.054 174.700 -0.067 0.000 1.038 390 T CA 1.019 63.094 62.100 -0.041 0.000 1.144 390 T CB -1.168 67.712 68.868 0.019 0.000 0.866 390 T HN 0.313 nan 8.240 nan 0.000 0.434 391 P HA -0.046 nan 4.420 nan 0.000 0.216 391 P C 1.450 178.778 177.300 0.047 0.000 1.153 391 P CA 1.042 64.125 63.100 -0.029 0.000 0.858 391 P CB -0.162 31.460 31.700 -0.129 0.000 0.789 392 L N -1.612 119.599 121.223 -0.019 0.000 2.095 392 L HA -0.068 4.272 4.340 0.000 0.000 0.204 392 L C 2.521 179.440 176.870 0.081 0.000 1.080 392 L CA 1.201 56.065 54.840 0.040 0.000 0.759 392 L CB -1.230 40.814 42.059 -0.025 0.000 0.914 392 L HN -0.075 nan 8.230 nan 0.000 0.439 393 A N 0.648 123.502 122.820 0.057 0.000 1.884 393 A HA -0.272 4.048 4.320 0.000 0.000 0.219 393 A C 2.400 180.062 177.584 0.131 0.000 1.197 393 A CA 2.028 54.121 52.037 0.093 0.000 0.637 393 A CB -0.565 18.465 19.000 0.050 0.000 0.827 393 A HN 0.347 nan 8.150 nan 0.000 0.450 394 R N -0.896 119.653 120.500 0.082 0.000 2.075 394 R HA 0.013 4.353 4.340 0.000 0.000 0.232 394 R C 2.537 178.991 176.300 0.258 0.000 1.126 394 R CA 1.057 57.220 56.100 0.105 0.000 0.963 394 R CB -0.505 29.794 30.300 -0.001 0.000 0.858 394 R HN 0.517 nan 8.270 nan 0.000 0.435 395 A N 1.511 124.510 122.820 0.297 0.000 1.948 395 A HA -0.195 4.125 4.320 0.000 0.000 0.220 395 A C 2.374 180.220 177.584 0.438 0.000 1.177 395 A CA 1.902 54.243 52.037 0.508 0.000 0.636 395 A CB -0.649 18.692 19.000 0.569 0.000 0.815 395 A HN 0.418 nan 8.150 nan 0.000 0.449 396 A N -1.528 121.454 122.820 0.270 0.000 1.873 396 A HA -0.168 4.152 4.320 0.000 0.000 0.215 396 A C 2.098 179.807 177.584 0.208 0.000 1.186 396 A CA 1.314 53.465 52.037 0.190 0.000 0.616 396 A CB -0.884 18.207 19.000 0.152 0.000 0.823 396 A HN 0.817 nan 8.150 nan 0.000 0.442 397 W N 1.075 122.423 121.300 0.079 0.000 2.338 397 W HA -0.177 4.484 4.660 0.000 0.000 0.304 397 W C 1.646 178.212 176.519 0.079 0.000 1.212 397 W CA 2.067 59.444 57.345 0.052 0.000 1.264 397 W CB -0.235 29.236 29.460 0.018 0.000 1.142 397 W HN 0.564 nan 8.180 nan 0.000 0.512 398 E N -1.157 119.297 120.200 0.423 0.000 2.358 398 E HA -0.107 4.243 4.350 0.000 0.000 0.195 398 E C 1.921 178.695 176.600 0.290 0.000 1.010 398 E CA 1.294 57.913 56.400 0.365 0.000 0.856 398 E CB -0.177 29.778 29.700 0.424 0.000 0.795 398 E HN 0.053 nan 8.360 nan 0.000 0.504 399 T N 0.314 115.033 114.554 0.275 0.000 2.867 399 T HA -0.067 4.283 4.350 0.000 0.000 0.268 399 T C 1.769 176.456 174.700 -0.023 0.000 1.057 399 T CA 1.210 63.392 62.100 0.136 0.000 1.136 399 T CB 0.072 69.040 68.868 0.166 0.000 0.874 399 T HN 0.225 nan 8.240 nan 0.000 0.466 400 A N 0.184 122.954 122.820 -0.083 0.000 2.229 400 A HA 0.327 4.647 4.320 0.000 0.000 0.211 400 A C 0.991 178.451 177.584 -0.206 0.000 1.193 400 A CA -0.028 51.903 52.037 -0.177 0.000 0.879 400 A CB 0.492 19.341 19.000 -0.252 0.000 0.911 400 A HN 0.100 nan 8.150 nan 0.000 0.492 401 R N 0.273 120.675 120.500 -0.162 0.000 2.621 401 R HA 0.386 4.727 4.340 0.000 0.000 0.292 401 R C -1.566 174.713 176.300 -0.035 0.000 0.969 401 R CA -0.550 55.496 56.100 -0.089 0.000 0.887 401 R CB 0.879 31.181 30.300 0.004 0.000 1.180 401 R HN 0.481 nan 8.270 nan 0.000 0.450 402 H N 0.684 119.820 119.070 0.111 0.000 2.803 402 H HA 0.163 4.719 4.556 0.000 0.000 0.330 402 H C 0.467 175.869 175.328 0.124 0.000 1.057 402 H CA 0.782 56.899 56.048 0.116 0.000 1.458 402 H CB 0.826 30.634 29.762 0.077 0.000 1.470 402 H HN 0.536 nan 8.280 nan 0.000 0.560 403 T N 0.411 115.102 114.554 0.229 0.000 2.907 403 T HA 0.224 4.574 4.350 0.000 0.000 0.292 403 T C -1.774 172.945 174.700 0.031 0.000 1.043 403 T CA -1.970 60.209 62.100 0.131 0.000 1.003 403 T CB 1.910 70.855 68.868 0.129 0.000 1.084 403 T HN 0.338 nan 8.240 nan 0.000 0.483 404 P HA 0.106 nan 4.420 nan 0.000 0.222 404 P C 0.003 177.138 177.300 -0.274 0.000 1.147 404 P CA 0.331 63.290 63.100 -0.235 0.000 0.790 404 P CB 0.160 31.677 31.700 -0.304 0.000 0.780 405 V N 1.290 121.110 119.914 -0.157 0.000 2.638 405 V HA 0.238 4.358 4.120 0.000 0.000 0.306 405 V C -0.340 175.685 176.094 -0.114 0.000 1.052 405 V CA -0.770 61.446 62.300 -0.140 0.000 0.885 405 V CB 2.082 33.834 31.823 -0.118 0.000 0.999 405 V HN -0.028 nan 8.190 nan 0.000 0.424 406 N N 2.879 121.466 118.700 -0.189 0.000 2.801 406 N HA 0.080 4.820 4.740 0.000 0.000 0.235 406 N C 1.353 176.617 175.510 -0.410 0.000 1.069 406 N CA 0.256 53.125 53.050 -0.301 0.000 0.946 406 N CB 1.654 39.836 38.487 -0.509 0.000 1.212 406 N HN 0.827 nan 8.380 nan 0.000 0.509 407 S N 2.268 117.860 115.700 -0.180 0.000 2.387 407 S HA -0.152 4.318 4.470 0.000 0.000 0.230 407 S C 1.930 176.472 174.600 -0.097 0.000 1.035 407 S CA 0.566 58.705 58.200 -0.102 0.000 1.014 407 S CB -0.482 62.709 63.200 -0.015 0.000 0.836 407 S HN 0.774 nan 8.310 nan 0.000 0.466 408 W N 1.337 122.538 121.300 -0.165 0.000 2.321 408 W HA -0.120 4.540 4.660 0.000 0.000 0.306 408 W C 1.809 178.238 176.519 -0.151 0.000 1.217 408 W CA 0.816 58.013 57.345 -0.248 0.000 1.257 408 W CB -1.203 27.677 29.460 -0.967 0.000 1.145 408 W HN 0.400 nan 8.180 nan 0.000 0.509 409 L N 2.805 123.317 121.223 -1.184 0.000 2.072 409 L HA 0.197 4.537 4.340 0.000 0.000 0.205 409 L C 2.690 179.311 176.870 -0.415 0.000 1.079 409 L CA 2.649 56.838 54.840 -1.085 0.000 0.752 409 L CB -1.426 39.738 42.059 -1.492 0.000 0.906 409 L HN 0.062 nan 8.230 nan 0.000 0.436 410 G N -0.431 108.166 108.800 -0.338 0.000 2.440 410 G HA2 -0.315 3.645 3.960 0.000 0.000 0.218 410 G HA3 -0.315 3.645 3.960 0.000 0.000 0.218 410 G C 1.470 176.365 174.900 -0.007 0.000 1.154 410 G CA 0.842 45.841 45.100 -0.168 0.000 0.767 410 G HN 0.448 nan 8.290 nan 0.000 0.552 411 N N 0.541 119.299 118.700 0.097 0.000 2.188 411 N HA -0.007 4.734 4.740 0.000 0.000 0.184 411 N C 2.262 177.917 175.510 0.242 0.000 1.018 411 N CA 0.632 53.880 53.050 0.331 0.000 0.858 411 N CB -0.168 38.587 38.487 0.446 0.000 0.989 411 N HN 0.337 nan 8.380 nan 0.000 0.426 412 I N 0.916 121.579 120.570 0.154 0.000 2.226 412 I HA -0.217 3.953 4.170 0.000 0.000 0.245 412 I C 1.987 178.152 176.117 0.080 0.000 1.100 412 I CA 0.897 62.272 61.300 0.125 0.000 1.374 412 I CB -0.127 38.016 38.000 0.237 0.000 1.057 412 I HN 0.044 nan 8.210 nan 0.000 0.413 413 I N -0.146 120.471 120.570 0.079 0.000 2.202 413 I HA -0.273 3.897 4.170 0.000 0.000 0.242 413 I C 2.437 178.652 176.117 0.163 0.000 1.091 413 I CA 1.188 62.566 61.300 0.131 0.000 1.368 413 I CB -0.190 37.873 38.000 0.105 0.000 1.058 413 I HN 0.195 nan 8.210 nan 0.000 0.410 414 M N -0.854 118.762 119.600 0.028 0.000 2.349 414 M HA -0.075 4.405 4.480 0.000 0.000 0.266 414 M C 0.852 176.939 176.300 -0.356 0.000 1.076 414 M CA 1.561 56.770 55.300 -0.152 0.000 1.126 414 M CB -0.485 31.923 32.600 -0.321 0.000 1.392 414 M HN 0.206 nan 8.290 nan 0.000 0.440 415 Y N -0.806 119.478 120.300 -0.028 0.000 2.716 415 Y HA 0.465 5.015 4.550 0.000 0.000 0.260 415 Y C 1.772 177.408 175.900 -0.441 0.000 1.141 415 Y CA -0.333 57.640 58.100 -0.211 0.000 1.168 415 Y CB -0.765 37.524 38.460 -0.284 0.000 1.189 415 Y HN 0.139 nan 8.280 nan 0.000 0.549 416 A N 1.156 123.767 122.820 -0.349 0.000 1.927 416 A HA -0.203 4.118 4.320 0.000 0.000 0.220 416 A C -0.365 176.917 177.584 -0.504 0.000 1.185 416 A CA 1.961 53.741 52.037 -0.428 0.000 0.639 416 A CB -1.471 17.230 19.000 -0.498 0.000 0.820 416 A HN 0.279 nan 8.150 nan 0.000 0.451 417 P HA 0.019 nan 4.420 nan 0.000 0.233 417 P C 0.746 177.763 177.300 -0.471 0.000 1.167 417 P CA 1.292 64.092 63.100 -0.500 0.000 0.770 417 P CB -0.519 30.912 31.700 -0.449 0.000 0.837 418 T N -2.708 111.580 114.554 -0.444 0.000 2.868 418 T HA 0.136 4.487 4.350 0.000 0.000 0.292 418 T C 1.104 175.382 174.700 -0.704 0.000 1.028 418 T CA -0.653 61.151 62.100 -0.494 0.000 1.059 418 T CB 0.551 68.966 68.868 -0.755 0.000 0.991 418 T HN -0.181 nan 8.240 nan 0.000 0.531 419 L N 1.621 122.326 121.223 -0.862 0.000 2.027 419 L HA 0.073 4.413 4.340 0.000 0.000 0.206 419 L C 2.441 178.978 176.870 -0.555 0.000 1.074 419 L CA 1.596 55.885 54.840 -0.918 0.000 0.745 419 L CB -0.907 40.560 42.059 -0.987 0.000 0.898 419 L HN 0.920 nan 8.230 nan 0.000 0.433 420 W N -0.901 120.192 121.300 -0.344 0.000 2.436 420 W HA 0.097 4.758 4.660 0.000 0.000 0.284 420 W C 1.897 178.282 176.519 -0.224 0.000 1.225 420 W CA 0.723 57.903 57.345 -0.275 0.000 1.271 420 W CB -1.232 28.101 29.460 -0.211 0.000 1.114 420 W HN 0.320 nan 8.180 nan 0.000 0.559 421 A N 1.818 124.186 122.820 -0.753 0.000 1.929 421 A HA -0.070 4.251 4.320 0.000 0.000 0.216 421 A C 2.251 179.687 177.584 -0.248 0.000 1.176 421 A CA 1.324 53.069 52.037 -0.488 0.000 0.628 421 A CB -0.676 17.882 19.000 -0.737 0.000 0.816 421 A HN 0.255 nan 8.150 nan 0.000 0.444 422 R N -0.953 119.311 120.500 -0.394 0.000 2.066 422 R HA 0.047 4.387 4.340 0.000 0.000 0.232 422 R C 2.180 178.298 176.300 -0.303 0.000 1.131 422 R CA 1.748 57.628 56.100 -0.368 0.000 0.955 422 R CB -0.311 29.602 30.300 -0.645 0.000 0.851 422 R HN 0.498 nan 8.270 nan 0.000 0.432 423 M N -0.508 118.791 119.600 -0.501 0.000 2.334 423 M HA 0.035 4.515 4.480 0.000 0.000 0.266 423 M C 1.794 178.036 176.300 -0.096 0.000 1.082 423 M CA 1.303 56.374 55.300 -0.380 0.000 1.141 423 M CB 0.242 32.565 32.600 -0.462 0.000 1.380 423 M HN 0.115 nan 8.290 nan 0.000 0.440 424 I N -0.753 119.606 120.570 -0.352 0.000 3.196 424 I HA -0.078 4.093 4.170 0.000 0.000 0.248 424 I C 2.076 178.011 176.117 -0.304 0.000 1.105 424 I CA 0.244 61.059 61.300 -0.808 0.000 1.482 424 I CB -0.216 37.268 38.000 -0.859 0.000 1.400 424 I HN 0.105 nan 8.210 nan 0.000 0.464 425 L N 0.388 121.629 121.223 0.030 0.000 1.989 425 L HA -0.235 4.105 4.340 0.000 0.000 0.211 425 L C 2.714 179.895 176.870 0.519 0.000 1.071 425 L CA 1.808 56.870 54.840 0.369 0.000 0.749 425 L CB -0.518 41.791 42.059 0.418 0.000 0.890 425 L HN 0.292 nan 8.230 nan 0.000 0.431 426 M N -0.831 119.051 119.600 0.469 0.000 2.080 426 M HA -0.197 4.283 4.480 0.000 0.000 0.260 426 M C 2.324 179.163 176.300 0.897 0.000 1.068 426 M CA 2.209 57.925 55.300 0.694 0.000 1.109 426 M CB -0.693 32.146 32.600 0.399 0.000 1.342 426 M HN 0.279 nan 8.290 nan 0.000 0.405 427 T N -1.328 113.701 114.554 0.792 0.000 2.652 427 T HA -0.240 4.110 4.350 0.000 0.000 0.267 427 T C 1.674 176.654 174.700 0.466 0.000 1.039 427 T CA 2.007 64.495 62.100 0.647 0.000 1.153 427 T CB -0.591 68.700 68.868 0.705 0.000 0.863 427 T HN 0.457 nan 8.240 nan 0.000 0.428 428 H N 0.300 119.526 119.070 0.260 0.000 2.293 428 H HA 0.015 4.571 4.556 0.000 0.000 0.300 428 H C 1.790 176.977 175.328 -0.235 0.000 1.082 428 H CA 1.540 57.609 56.048 0.035 0.000 1.308 428 H CB -0.467 29.161 29.762 -0.223 0.000 1.375 428 H HN 0.346 nan 8.280 nan 0.000 0.495 429 F N -1.173 118.737 119.950 -0.066 0.000 2.234 429 F HA 0.015 4.542 4.527 0.000 0.000 0.296 429 F C 2.020 177.606 175.800 -0.357 0.000 1.089 429 F CA 0.477 58.168 58.000 -0.515 0.000 1.343 429 F CB -0.585 37.705 39.000 -1.182 0.000 1.040 429 F HN 0.126 nan 8.300 nan 0.000 0.498 430 F N -0.308 119.733 119.950 0.151 0.000 2.161 430 F HA -0.236 4.291 4.527 0.000 0.000 0.300 430 F C 2.783 178.605 175.800 0.037 0.000 1.089 430 F CA 1.677 59.784 58.000 0.179 0.000 1.282 430 F CB -1.017 38.212 39.000 0.382 0.000 1.010 430 F HN -0.099 nan 8.300 nan 0.000 0.485 431 S N 0.413 116.188 115.700 0.125 0.000 2.359 431 S HA -0.206 4.265 4.470 0.000 0.000 0.224 431 S C 2.133 176.677 174.600 -0.093 0.000 1.035 431 S CA 1.611 59.805 58.200 -0.010 0.000 1.018 431 S CB -0.514 62.661 63.200 -0.043 0.000 0.876 431 S HN 0.328 nan 8.310 nan 0.000 0.448 432 I N 1.118 121.553 120.570 -0.224 0.000 2.361 432 I HA -0.158 4.013 4.170 0.000 0.000 0.251 432 I C 2.055 178.110 176.117 -0.104 0.000 1.133 432 I CA 0.924 62.090 61.300 -0.223 0.000 1.413 432 I CB -0.255 37.532 38.000 -0.356 0.000 1.073 432 I HN 0.319 nan 8.210 nan 0.000 0.424 433 L N -0.212 120.961 121.223 -0.082 0.000 2.131 433 L HA -0.151 4.189 4.340 0.000 0.000 0.206 433 L C 2.495 179.380 176.870 0.024 0.000 1.087 433 L CA 0.938 55.762 54.840 -0.028 0.000 0.767 433 L CB -0.420 41.595 42.059 -0.073 0.000 0.917 433 L HN 0.233 nan 8.230 nan 0.000 0.441 434 L N 0.088 121.340 121.223 0.049 0.000 1.990 434 L HA -0.254 4.086 4.340 0.000 0.000 0.213 434 L C 2.876 179.759 176.870 0.021 0.000 1.072 434 L CA 1.537 56.411 54.840 0.057 0.000 0.755 434 L CB -0.654 41.440 42.059 0.058 0.000 0.889 434 L HN 0.257 nan 8.230 nan 0.000 0.432 435 A N -1.224 121.593 122.820 -0.005 0.000 2.024 435 A HA -0.204 4.116 4.320 0.000 0.000 0.220 435 A C 1.991 179.574 177.584 -0.003 0.000 1.164 435 A CA 1.427 53.456 52.037 -0.015 0.000 0.643 435 A CB -0.244 18.732 19.000 -0.039 0.000 0.806 435 A HN 0.478 nan 8.150 nan 0.000 0.451 436 Q N -0.631 119.172 119.800 0.005 0.000 2.247 436 Q HA 0.099 4.440 4.340 0.000 0.000 0.204 436 Q C -0.509 175.509 176.000 0.030 0.000 0.872 436 Q CA 0.089 55.904 55.803 0.020 0.000 0.951 436 Q CB 0.087 28.845 28.738 0.032 0.000 1.099 436 Q HN 0.759 nan 8.270 nan 0.000 0.501 437 E N 0.965 121.184 120.200 0.031 0.000 2.202 437 E HA -0.263 4.087 4.350 0.000 0.000 0.214 437 E C -0.079 176.550 176.600 0.048 0.000 1.303 437 E CA 0.307 56.732 56.400 0.041 0.000 0.714 437 E CB -0.803 28.918 29.700 0.034 0.000 1.130 437 E HN 0.453 nan 8.360 nan 0.000 0.356 438 Q N -0.412 119.420 119.800 0.053 0.000 2.175 438 Q HA 0.173 4.513 4.340 0.000 0.000 0.225 438 Q C 1.722 177.766 176.000 0.073 0.000 0.837 438 Q CA -0.258 55.583 55.803 0.063 0.000 1.032 438 Q CB 0.421 29.202 28.738 0.072 0.000 1.137 438 Q HN 0.430 nan 8.270 nan 0.000 0.483 439 L N 0.143 121.414 121.223 0.080 0.000 2.127 439 L HA -0.217 4.123 4.340 0.000 0.000 0.211 439 L C 1.936 178.871 176.870 0.109 0.000 1.089 439 L CA 1.461 56.364 54.840 0.105 0.000 0.757 439 L CB 0.022 42.173 42.059 0.154 0.000 0.899 439 L HN 0.269 nan 8.230 nan 0.000 0.434 440 E N -0.403 119.851 120.200 0.091 0.000 2.474 440 E HA -0.036 4.314 4.350 0.000 0.000 0.194 440 E C 0.698 177.342 176.600 0.073 0.000 1.041 440 E CA -0.080 56.369 56.400 0.082 0.000 0.874 440 E CB 0.423 30.164 29.700 0.068 0.000 0.914 440 E HN 0.109 nan 8.360 nan 0.000 0.498 441 K N 0.869 121.313 120.400 0.073 0.000 2.297 441 K HA 0.311 4.631 4.320 0.000 0.000 0.286 441 K C -0.817 175.828 176.600 0.074 0.000 1.053 441 K CA -0.291 56.036 56.287 0.066 0.000 0.940 441 K CB 0.919 33.457 32.500 0.063 0.000 1.019 441 K HN -0.005 nan 8.250 nan 0.000 0.475 442 A N 5.241 128.099 122.820 0.063 0.000 2.401 442 A HA 0.383 4.703 4.320 0.000 0.000 0.259 442 A C -0.540 177.075 177.584 0.052 0.000 1.103 442 A CA -0.459 51.614 52.037 0.061 0.000 0.789 442 A CB 0.229 19.267 19.000 0.064 0.000 1.035 442 A HN 0.759 nan 8.150 nan 0.000 0.491 443 L N 1.644 122.884 121.223 0.027 0.000 2.342 443 L HA 0.389 4.729 4.340 0.000 0.000 0.271 443 L C -0.819 176.026 176.870 -0.041 0.000 1.008 443 L CA -1.036 53.802 54.840 -0.003 0.000 0.818 443 L CB 1.991 44.035 42.059 -0.026 0.000 1.296 443 L HN 0.583 nan 8.230 nan 0.000 0.427 444 D N 1.317 121.692 120.400 -0.042 0.000 2.264 444 D HA 0.422 5.062 4.640 0.000 0.000 0.250 444 D C -0.491 175.735 176.300 -0.123 0.000 1.113 444 D CA -0.003 53.974 54.000 -0.038 0.000 0.871 444 D CB 1.368 42.154 40.800 -0.023 0.000 1.167 444 D HN 0.569 nan 8.370 nan 0.000 0.447 445 C N 0.894 120.118 119.300 -0.127 0.000 3.154 445 C HA 0.680 5.140 4.460 0.000 0.000 0.312 445 C C -0.751 174.173 174.990 -0.109 0.000 1.349 445 C CA -0.865 58.048 59.018 -0.174 0.000 1.518 445 C CB 1.360 28.934 27.740 -0.278 0.000 1.934 445 C HN 0.490 nan 8.230 nan 0.000 0.462 446 Q N 0.570 120.305 119.800 -0.109 0.000 2.312 446 Q HA 0.757 5.097 4.340 0.000 0.000 0.263 446 Q C -1.308 174.631 176.000 -0.102 0.000 0.995 446 Q CA -0.320 55.450 55.803 -0.055 0.000 0.853 446 Q CB 2.135 30.857 28.738 -0.026 0.000 1.300 446 Q HN 0.722 nan 8.270 nan 0.000 0.448 447 I N 2.597 123.116 120.570 -0.085 0.000 2.478 447 I HA 0.184 4.354 4.170 0.000 0.000 0.287 447 I C -1.076 175.044 176.117 0.006 0.000 1.042 447 I CA -0.781 60.383 61.300 -0.227 0.000 1.067 447 I CB 1.223 38.782 38.000 -0.735 0.000 1.233 447 I HN 0.618 nan 8.210 nan 0.000 0.431 448 Y N 5.254 125.577 120.300 0.038 0.000 3.108 448 Y HA -0.237 4.313 4.550 0.000 0.000 0.208 448 Y C 1.497 177.334 175.900 -0.106 0.000 1.245 448 Y CA 1.021 59.108 58.100 -0.020 0.000 1.171 448 Y CB -1.947 36.496 38.460 -0.029 0.000 1.331 448 Y HN 0.995 nan 8.280 nan 0.000 0.534 449 G N -2.041 106.824 108.800 0.107 0.000 2.184 449 G HA2 -0.004 3.956 3.960 0.000 0.000 0.264 449 G HA3 -0.004 3.956 3.960 0.000 0.000 0.264 449 G C 0.361 175.281 174.900 0.034 0.000 0.975 449 G CA 0.237 45.367 45.100 0.050 0.000 0.642 449 G HN 1.594 nan 8.290 nan 0.000 0.536 450 A N -0.983 121.857 122.820 0.033 0.000 2.325 450 A HA 0.696 5.016 4.320 0.000 0.000 0.333 450 A C 0.396 177.815 177.584 -0.275 0.000 1.155 450 A CA 0.228 52.145 52.037 -0.200 0.000 0.814 450 A CB 1.435 20.221 19.000 -0.356 0.000 1.206 450 A HN 1.442 nan 8.150 nan 0.000 0.482 451 C N 2.332 121.371 119.300 -0.435 0.000 2.347 451 C HA 0.742 5.203 4.460 0.000 0.000 0.353 451 C C -0.963 173.592 174.990 -0.725 0.000 1.273 451 C CA -0.388 58.454 59.018 -0.293 0.000 1.861 451 C CB -1.421 26.360 27.740 0.068 0.000 2.420 451 C HN 0.648 nan 8.230 nan 0.000 0.542 452 Y N 2.970 123.030 120.300 -0.400 0.000 2.446 452 Y HA 0.426 4.976 4.550 0.000 0.000 0.345 452 Y C 0.514 176.252 175.900 -0.269 0.000 0.984 452 Y CA -0.358 57.482 58.100 -0.433 0.000 1.058 452 Y CB 1.770 39.942 38.460 -0.479 0.000 1.220 452 Y HN 0.576 nan 8.280 nan 0.000 0.455 453 S N 4.205 119.861 115.700 -0.072 0.000 2.452 453 S HA 0.593 5.063 4.470 0.000 0.000 0.284 453 S C -0.841 173.803 174.600 0.074 0.000 1.171 453 S CA -0.500 57.727 58.200 0.044 0.000 1.064 453 S CB -0.307 62.958 63.200 0.109 0.000 0.967 453 S HN 0.415 nan 8.310 nan 0.000 0.484 454 I N 3.994 124.590 120.570 0.044 0.000 2.509 454 I HA 0.395 4.565 4.170 0.000 0.000 0.293 454 I C -0.012 176.134 176.117 0.049 0.000 1.020 454 I CA -0.644 60.693 61.300 0.061 0.000 1.088 454 I CB 1.970 39.976 38.000 0.010 0.000 1.267 454 I HN 0.609 nan 8.210 nan 0.000 0.430 455 E N 6.794 127.041 120.200 0.080 0.000 2.115 455 E HA 0.237 4.587 4.350 0.000 0.000 0.282 455 E C -1.711 174.956 176.600 0.113 0.000 0.987 455 E CA -1.534 54.918 56.400 0.087 0.000 0.797 455 E CB 1.559 31.312 29.700 0.088 0.000 1.086 455 E HN 0.308 nan 8.360 nan 0.000 0.397 456 P HA -0.219 nan 4.420 nan 0.000 0.217 456 P C 1.088 178.576 177.300 0.314 0.000 1.151 456 P CA 1.148 64.354 63.100 0.177 0.000 0.849 456 P CB 0.220 31.968 31.700 0.081 0.000 0.787 457 L N -0.930 120.446 121.223 0.256 0.000 2.349 457 L HA -0.170 4.171 4.340 0.000 0.000 0.220 457 L C 1.315 178.295 176.870 0.184 0.000 1.130 457 L CA 1.255 56.249 54.840 0.256 0.000 0.791 457 L CB -0.660 41.506 42.059 0.179 0.000 0.918 457 L HN 0.001 nan 8.230 nan 0.000 0.444 458 D N -0.689 119.806 120.400 0.158 0.000 2.350 458 D HA 0.019 4.659 4.640 0.000 0.000 0.213 458 D C 2.255 178.629 176.300 0.123 0.000 1.031 458 D CA 0.222 54.284 54.000 0.103 0.000 0.861 458 D CB 0.264 41.110 40.800 0.077 0.000 0.926 458 D HN 0.250 nan 8.370 nan 0.000 0.520 459 L N 1.101 122.447 121.223 0.204 0.000 2.051 459 L HA -0.196 4.145 4.340 0.000 0.000 0.214 459 L C -0.471 176.530 176.870 0.218 0.000 1.076 459 L CA 1.689 56.672 54.840 0.237 0.000 0.758 459 L CB -1.602 40.673 42.059 0.362 0.000 0.890 459 L HN 0.081 nan 8.230 nan 0.000 0.433 460 P HA -0.181 nan 4.420 nan 0.000 0.215 460 P C 1.378 178.737 177.300 0.098 0.000 1.153 460 P CA 1.247 64.396 63.100 0.081 0.000 0.853 460 P CB 0.035 31.583 31.700 -0.254 0.000 0.788 461 Q N -0.737 119.060 119.800 -0.006 0.000 2.079 461 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 461 Q C 2.200 178.199 176.000 -0.001 0.000 0.974 461 Q CA 1.238 57.024 55.803 -0.029 0.000 0.840 461 Q CB -1.009 27.694 28.738 -0.058 0.000 0.898 461 Q HN 0.255 nan 8.270 nan 0.000 0.430 462 I N 0.084 120.664 120.570 0.017 0.000 2.163 462 I HA -0.281 3.889 4.170 0.000 0.000 0.243 462 I C 2.003 178.149 176.117 0.048 0.000 1.085 462 I CA 1.289 62.577 61.300 -0.021 0.000 1.347 462 I CB -0.302 37.727 38.000 0.049 0.000 1.044 462 I HN 0.190 nan 8.210 nan 0.000 0.408 463 I N 0.464 121.132 120.570 0.164 0.000 2.353 463 I HA -0.259 3.911 4.170 0.000 0.000 0.248 463 I C 2.636 178.800 176.117 0.078 0.000 1.119 463 I CA 1.255 62.665 61.300 0.183 0.000 1.417 463 I CB -0.391 37.672 38.000 0.106 0.000 1.078 463 I HN 0.285 nan 8.210 nan 0.000 0.421 464 E N 1.282 121.582 120.200 0.167 0.000 2.085 464 E HA -0.247 4.103 4.350 0.000 0.000 0.194 464 E C 2.396 179.010 176.600 0.023 0.000 0.994 464 E CA 1.162 57.643 56.400 0.134 0.000 0.801 464 E CB 0.099 29.903 29.700 0.172 0.000 0.743 464 E HN 0.286 nan 8.360 nan 0.000 0.453 465 R N 0.205 120.692 120.500 -0.021 0.000 2.066 465 R HA -0.047 4.293 4.340 0.000 0.000 0.232 465 R C 2.566 178.796 176.300 -0.116 0.000 1.131 465 R CA 1.016 57.070 56.100 -0.078 0.000 0.955 465 R CB -0.543 29.678 30.300 -0.131 0.000 0.851 465 R HN 0.357 nan 8.270 nan 0.000 0.432 466 L N -0.437 120.684 121.223 -0.170 0.000 2.156 466 L HA -0.111 4.229 4.340 0.000 0.000 0.208 466 L C 1.855 178.435 176.870 -0.482 0.000 1.095 466 L CA 1.177 55.807 54.840 -0.350 0.000 0.770 466 L CB -0.352 41.395 42.059 -0.521 0.000 0.914 466 L HN 0.297 nan 8.230 nan 0.000 0.439 467 H N -1.116 117.897 119.070 -0.095 0.000 3.205 467 H HA 0.281 4.837 4.556 0.000 0.000 0.252 467 H C 0.952 176.212 175.328 -0.113 0.000 1.015 467 H CA 0.753 56.727 56.048 -0.123 0.000 1.192 467 H CB 1.065 30.712 29.762 -0.191 0.000 1.474 467 H HN 0.257 nan 8.280 nan 0.000 0.484 468 G N 1.266 110.069 108.800 0.007 0.000 2.733 468 G HA2 -0.227 3.733 3.960 0.000 0.000 0.686 468 G HA3 -0.227 3.733 3.960 0.000 0.000 0.686 468 G C 0.714 175.610 174.900 -0.007 0.000 1.373 468 G CA -0.119 44.987 45.100 0.011 0.000 0.838 468 G HN 0.230 nan 8.290 nan 0.000 0.588 469 L N 0.839 122.119 121.223 0.094 0.000 2.349 469 L HA -0.092 4.248 4.340 0.000 0.000 0.220 469 L C 3.055 180.003 176.870 0.129 0.000 1.130 469 L CA 1.643 56.628 54.840 0.242 0.000 0.791 469 L CB -0.512 41.712 42.059 0.275 0.000 0.918 469 L HN 0.740 nan 8.230 nan 0.000 0.444 470 S N 0.262 115.975 115.700 0.022 0.000 2.402 470 S HA -0.259 4.211 4.470 0.000 0.000 0.233 470 S C 2.109 176.638 174.600 -0.117 0.000 1.030 470 S CA 1.393 59.577 58.200 -0.027 0.000 1.003 470 S CB -0.054 63.118 63.200 -0.046 0.000 0.813 470 S HN 0.520 nan 8.310 nan 0.000 0.477 471 A N -0.233 122.423 122.820 -0.273 0.000 2.067 471 A HA 0.125 4.445 4.320 0.000 0.000 0.219 471 A C 1.400 178.741 177.584 -0.404 0.000 1.158 471 A CA 0.909 52.678 52.037 -0.446 0.000 0.661 471 A CB -0.640 17.974 19.000 -0.643 0.000 0.801 471 A HN 0.609 nan 8.150 nan 0.000 0.452 472 F N -0.283 119.680 119.950 0.022 0.000 2.797 472 F HA 0.178 4.705 4.527 0.000 0.000 0.302 472 F C 1.502 177.346 175.800 0.074 0.000 1.130 472 F CA 0.554 58.593 58.000 0.066 0.000 1.387 472 F CB 0.142 39.216 39.000 0.123 0.000 1.107 472 F HN 0.103 nan 8.300 nan 0.000 0.577 473 S N -1.004 114.790 115.700 0.156 0.000 2.787 473 S HA 0.274 4.744 4.470 0.000 0.000 0.255 473 S C 0.396 175.067 174.600 0.117 0.000 1.051 473 S CA -0.348 57.945 58.200 0.155 0.000 1.124 473 S CB 0.397 63.679 63.200 0.136 0.000 1.104 473 S HN -0.006 nan 8.310 nan 0.000 0.623 474 L N 3.839 125.036 121.223 -0.043 0.000 2.525 474 L HA 0.204 4.544 4.340 0.000 0.000 0.278 474 L C 0.441 177.200 176.870 -0.186 0.000 1.218 474 L CA 0.656 55.335 54.840 -0.270 0.000 0.878 474 L CB -0.055 41.707 42.059 -0.494 0.000 1.127 474 L HN 0.549 nan 8.230 nan 0.000 0.492 475 H N -1.338 117.532 119.070 -0.333 0.000 2.960 475 H HA 0.398 4.954 4.556 0.000 0.000 0.323 475 H C -0.287 174.919 175.328 -0.203 0.000 1.326 475 H CA -0.875 55.065 56.048 -0.181 0.000 1.124 475 H CB 1.132 30.888 29.762 -0.010 0.000 1.853 475 H HN 0.390 nan 8.280 nan 0.000 0.536 476 S N -0.739 115.044 115.700 0.139 0.000 3.791 476 S HA -0.224 4.246 4.470 0.000 0.000 0.393 476 S C -0.529 174.132 174.600 0.102 0.000 0.936 476 S CA 0.351 58.643 58.200 0.152 0.000 1.234 476 S CB -2.543 60.726 63.200 0.114 0.000 0.891 476 S HN 0.554 nan 8.310 nan 0.000 0.519 477 Y N 1.933 122.295 120.300 0.103 0.000 2.335 477 Y HA 0.307 4.857 4.550 0.000 0.000 0.348 477 Y C 1.429 177.395 175.900 0.110 0.000 1.280 477 Y CA 0.631 58.789 58.100 0.096 0.000 1.504 477 Y CB 0.349 38.853 38.460 0.074 0.000 1.366 477 Y HN 0.536 nan 8.280 nan 0.000 0.621 478 S N 1.166 117.038 115.700 0.286 0.000 2.585 478 S HA 0.162 4.633 4.470 0.000 0.000 0.273 478 S C -2.022 172.671 174.600 0.155 0.000 1.339 478 S CA -1.137 57.167 58.200 0.173 0.000 1.028 478 S CB 1.271 64.548 63.200 0.128 0.000 0.906 478 S HN 0.408 nan 8.310 nan 0.000 0.528 479 P HA 0.042 nan 4.420 nan 0.000 0.216 479 P C 1.640 178.986 177.300 0.077 0.000 1.150 479 P CA 1.571 64.725 63.100 0.090 0.000 0.837 479 P CB -0.414 31.328 31.700 0.071 0.000 0.786 480 G N -0.256 108.586 108.800 0.069 0.000 2.403 480 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 480 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 480 G C 1.654 176.590 174.900 0.059 0.000 1.154 480 G CA 0.629 45.761 45.100 0.052 0.000 0.784 480 G HN 0.247 nan 8.290 nan 0.000 0.538 481 E N 0.860 121.115 120.200 0.092 0.000 2.028 481 E HA -0.068 4.282 4.350 0.000 0.000 0.191 481 E C 2.403 179.058 176.600 0.091 0.000 0.988 481 E CA 0.869 57.338 56.400 0.115 0.000 0.799 481 E CB -0.416 29.409 29.700 0.209 0.000 0.755 481 E HN 0.467 nan 8.360 nan 0.000 0.447 482 I N 0.993 121.622 120.570 0.098 0.000 2.163 482 I HA -0.314 3.856 4.170 0.000 0.000 0.243 482 I C 1.916 178.063 176.117 0.050 0.000 1.085 482 I CA 1.320 62.660 61.300 0.067 0.000 1.347 482 I CB -0.487 37.566 38.000 0.088 0.000 1.044 482 I HN 0.147 nan 8.210 nan 0.000 0.408 483 N N 0.627 119.357 118.700 0.050 0.000 2.166 483 N HA -0.199 4.542 4.740 0.000 0.000 0.186 483 N C 1.873 177.396 175.510 0.021 0.000 1.019 483 N CA 1.097 54.169 53.050 0.036 0.000 0.856 483 N CB -0.468 38.040 38.487 0.035 0.000 0.993 483 N HN 0.361 nan 8.380 nan 0.000 0.426 484 R N 0.835 121.344 120.500 0.015 0.000 2.081 484 R HA -0.030 4.310 4.340 0.000 0.000 0.235 484 R C 1.804 178.084 176.300 -0.033 0.000 1.131 484 R CA 0.948 57.041 56.100 -0.013 0.000 0.960 484 R CB -0.139 30.147 30.300 -0.024 0.000 0.856 484 R HN -0.036 nan 8.270 nan 0.000 0.436 485 V N 1.089 120.993 119.914 -0.017 0.000 2.237 485 V HA -0.228 3.893 4.120 0.000 0.000 0.245 485 V C 2.510 178.601 176.094 -0.006 0.000 1.046 485 V CA 1.966 64.249 62.300 -0.027 0.000 1.007 485 V CB -0.920 30.915 31.823 0.020 0.000 0.638 485 V HN 0.570 nan 8.190 nan 0.000 0.445 486 A N 0.023 122.854 122.820 0.019 0.000 1.873 486 A HA -0.307 4.013 4.320 0.000 0.000 0.218 486 A C 2.610 180.211 177.584 0.028 0.000 1.193 486 A CA 2.745 54.802 52.037 0.034 0.000 0.629 486 A CB -1.081 17.944 19.000 0.042 0.000 0.826 486 A HN 0.573 nan 8.150 nan 0.000 0.447 487 S N -1.093 114.618 115.700 0.018 0.000 2.370 487 S HA -0.248 4.222 4.470 0.000 0.000 0.226 487 S C 2.110 176.716 174.600 0.011 0.000 1.033 487 S CA 1.868 60.078 58.200 0.016 0.000 1.011 487 S CB -1.205 62.000 63.200 0.008 0.000 0.852 487 S HN 0.869 nan 8.310 nan 0.000 0.457 488 C N 1.398 120.689 119.300 -0.014 0.000 2.429 488 C HA 0.063 4.523 4.460 0.000 0.000 0.277 488 C C 2.560 177.550 174.990 0.000 0.000 1.262 488 C CA 0.952 59.953 59.018 -0.028 0.000 1.733 488 C CB -1.780 25.903 27.740 -0.094 0.000 2.010 488 C HN 0.713 nan 8.230 nan 0.000 0.483 489 L N 0.449 121.680 121.223 0.013 0.000 2.046 489 L HA -0.104 4.236 4.340 0.000 0.000 0.208 489 L C 3.030 179.923 176.870 0.037 0.000 1.077 489 L CA 1.701 56.563 54.840 0.037 0.000 0.747 489 L CB -0.929 41.175 42.059 0.075 0.000 0.896 489 L HN 0.345 nan 8.230 nan 0.000 0.432 490 R N 0.471 121.001 120.500 0.050 0.000 2.105 490 R HA -0.201 4.140 4.340 0.000 0.000 0.239 490 R C 2.327 178.710 176.300 0.138 0.000 1.135 490 R CA 1.414 57.560 56.100 0.077 0.000 0.967 490 R CB -0.300 30.041 30.300 0.068 0.000 0.861 490 R HN 0.345 nan 8.270 nan 0.000 0.442 491 K N 1.099 121.565 120.400 0.111 0.000 2.025 491 K HA -0.096 4.224 4.320 0.000 0.000 0.207 491 K C 1.732 178.493 176.600 0.270 0.000 1.049 491 K CA 1.184 57.560 56.287 0.147 0.000 0.933 491 K CB 0.073 32.620 32.500 0.078 0.000 0.714 491 K HN 0.123 nan 8.250 nan 0.000 0.438 492 L N -0.280 121.030 121.223 0.146 0.000 2.567 492 L HA 0.208 4.549 4.340 0.000 0.000 0.225 492 L C 0.749 177.523 176.870 -0.160 0.000 1.119 492 L CA 0.293 55.197 54.840 0.106 0.000 0.871 492 L CB 0.475 42.570 42.059 0.061 0.000 1.036 492 L HN 0.523 nan 8.230 nan 0.000 0.459 493 G N 1.089 109.683 108.800 -0.343 0.000 2.272 493 G HA2 -0.226 3.734 3.960 0.000 0.000 0.280 493 G HA3 -0.226 3.734 3.960 0.000 0.000 0.280 493 G C -0.027 174.718 174.900 -0.259 0.000 1.067 493 G CA 0.033 44.722 45.100 -0.684 0.000 0.902 493 G HN 0.093 nan 8.290 nan 0.000 0.500 494 V N 0.937 120.811 119.914 -0.066 0.000 2.498 494 V HA 0.388 4.508 4.120 0.000 0.000 0.279 494 V C -1.149 175.021 176.094 0.127 0.000 1.048 494 V CA -1.541 60.812 62.300 0.089 0.000 0.967 494 V CB 1.424 33.337 31.823 0.151 0.000 0.988 494 V HN 0.207 nan 8.190 nan 0.000 0.473 495 P HA 0.095 nan 4.420 nan 0.000 0.266 495 P C -2.458 174.936 177.300 0.157 0.000 1.193 495 P CA -0.688 62.413 63.100 0.000 0.000 0.770 495 P CB -0.261 31.256 31.700 -0.305 0.000 0.836 496 P HA 0.049 nan 4.420 nan 0.000 0.270 496 P C 0.943 178.414 177.300 0.285 0.000 1.223 496 P CA 0.031 63.228 63.100 0.163 0.000 0.785 496 P CB 0.650 32.399 31.700 0.082 0.000 0.923 497 L N 0.728 122.132 121.223 0.300 0.000 2.261 497 L HA -0.197 4.143 4.340 0.000 0.000 0.216 497 L C 2.766 179.825 176.870 0.315 0.000 1.114 497 L CA 1.570 56.620 54.840 0.350 0.000 0.777 497 L CB -0.778 41.398 42.059 0.195 0.000 0.910 497 L HN 0.493 nan 8.230 nan 0.000 0.440 498 R N -0.396 120.225 120.500 0.202 0.000 2.090 498 R HA -0.072 4.268 4.340 0.000 0.000 0.228 498 R C 1.963 178.347 176.300 0.141 0.000 1.110 498 R CA 1.179 57.377 56.100 0.163 0.000 0.973 498 R CB -0.868 29.488 30.300 0.093 0.000 0.869 498 R HN 0.122 nan 8.270 nan 0.000 0.440 499 V N 0.552 120.497 119.914 0.051 0.000 2.358 499 V HA -0.180 3.941 4.120 0.000 0.000 0.246 499 V C 1.922 178.005 176.094 -0.017 0.000 1.047 499 V CA 1.768 64.024 62.300 -0.074 0.000 1.035 499 V CB -0.685 30.965 31.823 -0.289 0.000 0.658 499 V HN 0.380 nan 8.190 nan 0.000 0.452 500 W N 0.174 121.579 121.300 0.175 0.000 2.388 500 W HA -0.105 4.555 4.660 0.000 0.000 0.294 500 W C 2.743 179.466 176.519 0.341 0.000 1.212 500 W CA 1.414 58.900 57.345 0.235 0.000 1.271 500 W CB -0.239 29.354 29.460 0.223 0.000 1.126 500 W HN 0.057 nan 8.180 nan 0.000 0.535 501 R N -0.213 120.633 120.500 0.576 0.000 2.081 501 R HA -0.238 4.102 4.340 0.000 0.000 0.235 501 R C 2.045 178.468 176.300 0.205 0.000 1.131 501 R CA 2.164 58.548 56.100 0.475 0.000 0.960 501 R CB -0.729 29.830 30.300 0.431 0.000 0.856 501 R HN 0.236 nan 8.270 nan 0.000 0.436 502 H N 0.398 119.524 119.070 0.093 0.000 2.293 502 H HA -0.031 4.525 4.556 0.000 0.000 0.300 502 H C 2.104 177.416 175.328 -0.026 0.000 1.082 502 H CA 2.316 58.367 56.048 0.004 0.000 1.308 502 H CB 0.036 29.785 29.762 -0.021 0.000 1.375 502 H HN 0.143 nan 8.280 nan 0.000 0.495 503 R N -0.182 120.336 120.500 0.029 0.000 2.103 503 R HA -0.154 4.186 4.340 0.000 0.000 0.242 503 R C 2.526 178.764 176.300 -0.102 0.000 1.142 503 R CA 1.208 57.282 56.100 -0.043 0.000 0.960 503 R CB -0.462 29.861 30.300 0.039 0.000 0.858 503 R HN 0.413 nan 8.270 nan 0.000 0.439 504 A N 1.253 124.058 122.820 -0.025 0.000 1.972 504 A HA -0.173 4.147 4.320 0.000 0.000 0.219 504 A C 2.058 179.377 177.584 -0.440 0.000 1.169 504 A CA 1.222 53.115 52.037 -0.240 0.000 0.635 504 A CB -0.339 18.590 19.000 -0.118 0.000 0.810 504 A HN 0.258 nan 8.150 nan 0.000 0.446 505 R N -0.610 119.688 120.500 -0.337 0.000 2.096 505 R HA -0.091 4.249 4.340 0.000 0.000 0.235 505 R C 2.618 178.731 176.300 -0.311 0.000 1.127 505 R CA 1.448 57.354 56.100 -0.323 0.000 0.968 505 R CB -0.452 29.684 30.300 -0.272 0.000 0.861 505 R HN 0.568 nan 8.270 nan 0.000 0.440 506 S N 0.536 116.044 115.700 -0.320 0.000 2.345 506 S HA -0.098 4.372 4.470 0.000 0.000 0.220 506 S C 2.111 176.559 174.600 -0.252 0.000 1.031 506 S CA 1.238 59.284 58.200 -0.258 0.000 0.996 506 S CB -0.175 62.887 63.200 -0.231 0.000 0.882 506 S HN 0.107 nan 8.310 nan 0.000 0.445 507 V N 2.692 122.414 119.914 -0.319 0.000 2.287 507 V HA -0.192 3.928 4.120 0.000 0.000 0.248 507 V C 2.761 178.591 176.094 -0.440 0.000 1.053 507 V CA 2.368 64.443 62.300 -0.375 0.000 1.027 507 V CB -0.934 30.577 31.823 -0.519 0.000 0.646 507 V HN 0.532 nan 8.190 nan 0.000 0.447 508 R N 0.287 120.441 120.500 -0.577 0.000 2.094 508 R HA -0.215 4.125 4.340 0.000 0.000 0.239 508 R C 2.281 178.477 176.300 -0.174 0.000 1.137 508 R CA 1.993 57.886 56.100 -0.346 0.000 0.943 508 R CB -0.512 29.617 30.300 -0.285 0.000 0.850 508 R HN 0.485 nan 8.270 nan 0.000 0.433 509 A N 0.869 123.585 122.820 -0.174 0.000 1.930 509 A HA -0.128 4.192 4.320 0.000 0.000 0.217 509 A C 2.173 179.706 177.584 -0.084 0.000 1.175 509 A CA 1.358 53.326 52.037 -0.114 0.000 0.627 509 A CB -0.396 18.534 19.000 -0.117 0.000 0.815 509 A HN 0.388 nan 8.150 nan 0.000 0.443 510 R N -0.611 119.832 120.500 -0.094 0.000 2.096 510 R HA -0.027 4.313 4.340 0.000 0.000 0.235 510 R C 1.987 178.274 176.300 -0.022 0.000 1.127 510 R CA 1.402 57.469 56.100 -0.055 0.000 0.968 510 R CB -0.450 29.815 30.300 -0.058 0.000 0.861 510 R HN 0.491 nan 8.270 nan 0.000 0.440 511 L N 0.377 121.585 121.223 -0.025 0.000 2.044 511 L HA -0.130 4.210 4.340 0.000 0.000 0.205 511 L C 2.329 179.211 176.870 0.020 0.000 1.075 511 L CA 0.984 55.840 54.840 0.028 0.000 0.747 511 L CB -0.368 41.719 42.059 0.047 0.000 0.903 511 L HN 0.184 nan 8.230 nan 0.000 0.435 512 L N -0.729 120.490 121.223 -0.006 0.000 2.081 512 L HA -0.267 4.073 4.340 0.000 0.000 0.212 512 L C 2.620 179.488 176.870 -0.003 0.000 1.080 512 L CA 1.288 56.124 54.840 -0.007 0.000 0.754 512 L CB -0.569 41.472 42.059 -0.029 0.000 0.893 512 L HN 0.250 nan 8.230 nan 0.000 0.433 513 S N -0.919 114.776 115.700 -0.009 0.000 2.423 513 S HA -0.134 4.336 4.470 0.000 0.000 0.231 513 S C 1.855 176.460 174.600 0.008 0.000 1.014 513 S CA 0.788 58.985 58.200 -0.005 0.000 0.965 513 S CB -0.092 63.100 63.200 -0.013 0.000 0.785 513 S HN 0.461 nan 8.310 nan 0.000 0.495 514 Q N 0.727 120.539 119.800 0.020 0.000 2.297 514 Q HA 0.156 4.496 4.340 0.000 0.000 0.204 514 Q C 1.448 177.467 176.000 0.031 0.000 0.962 514 Q CA 0.664 56.486 55.803 0.032 0.000 0.879 514 Q CB -0.754 28.015 28.738 0.053 0.000 0.947 514 Q HN 0.531 nan 8.270 nan 0.000 0.462 515 G N 0.106 108.923 108.800 0.028 0.000 2.877 515 G HA2 -0.067 3.893 3.960 0.000 0.000 0.279 515 G HA3 -0.067 3.893 3.960 0.000 0.000 0.279 515 G C 0.475 175.397 174.900 0.036 0.000 1.431 515 G CA 0.224 45.339 45.100 0.026 0.000 0.883 515 G HN 0.784 nan 8.290 nan 0.000 0.547 516 G N -0.751 108.068 108.800 0.032 0.000 2.550 516 G HA2 -0.232 3.728 3.960 0.000 0.000 0.277 516 G HA3 -0.232 3.728 3.960 0.000 0.000 0.277 516 G C 1.198 176.123 174.900 0.042 0.000 1.190 516 G CA 1.259 46.380 45.100 0.035 0.000 0.971 516 G HN 1.416 nan 8.290 nan 0.000 0.559 517 R N 0.328 120.858 120.500 0.050 0.000 2.081 517 R HA 0.070 4.410 4.340 0.000 0.000 0.235 517 R C 3.240 179.592 176.300 0.087 0.000 1.131 517 R CA 1.984 58.119 56.100 0.059 0.000 0.960 517 R CB -0.664 29.678 30.300 0.071 0.000 0.856 517 R HN 0.720 nan 8.270 nan 0.000 0.436 518 A N 1.470 124.354 122.820 0.107 0.000 1.883 518 A HA -0.151 4.169 4.320 0.000 0.000 0.217 518 A C 2.394 180.031 177.584 0.089 0.000 1.186 518 A CA 1.827 53.944 52.037 0.133 0.000 0.624 518 A CB -0.638 18.440 19.000 0.130 0.000 0.822 518 A HN 0.401 nan 8.150 nan 0.000 0.444 519 A N -1.107 121.751 122.820 0.063 0.000 1.972 519 A HA -0.058 4.262 4.320 0.000 0.000 0.219 519 A C 2.258 179.875 177.584 0.055 0.000 1.169 519 A CA 2.219 54.283 52.037 0.046 0.000 0.635 519 A CB -1.104 17.916 19.000 0.033 0.000 0.810 519 A HN 0.460 nan 8.150 nan 0.000 0.446 520 T N -0.879 113.712 114.554 0.062 0.000 2.812 520 T HA -0.158 4.193 4.350 0.000 0.000 0.264 520 T C 1.903 176.648 174.700 0.075 0.000 1.042 520 T CA 1.408 63.561 62.100 0.089 0.000 1.140 520 T CB -0.690 68.180 68.868 0.002 0.000 0.870 520 T HN 0.572 nan 8.240 nan 0.000 0.445 521 C N 1.601 120.910 119.300 0.015 0.000 2.398 521 C HA -0.035 4.425 4.460 0.000 0.000 0.276 521 C C 3.111 178.072 174.990 -0.048 0.000 1.222 521 C CA 0.674 59.641 59.018 -0.086 0.000 1.746 521 C CB -1.567 26.103 27.740 -0.116 0.000 2.039 521 C HN 0.737 nan 8.230 nan 0.000 0.470 522 G N -0.113 108.723 108.800 0.059 0.000 2.446 522 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 522 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 522 G C 1.643 176.583 174.900 0.066 0.000 1.168 522 G CA 1.186 46.367 45.100 0.136 0.000 0.771 522 G HN 0.639 nan 8.290 nan 0.000 0.551 523 K N -0.929 119.472 120.400 0.001 0.000 2.025 523 K HA -0.055 4.265 4.320 0.000 0.000 0.207 523 K C 2.212 178.625 176.600 -0.310 0.000 1.049 523 K CA 1.196 57.408 56.287 -0.125 0.000 0.933 523 K CB -0.223 32.217 32.500 -0.101 0.000 0.714 523 K HN 0.468 nan 8.250 nan 0.000 0.438 524 Y N 0.288 120.386 120.300 -0.336 0.000 2.266 524 Y HA 0.028 4.578 4.550 0.000 0.000 0.294 524 Y C 2.015 177.616 175.900 -0.497 0.000 1.127 524 Y CA 0.510 58.224 58.100 -0.644 0.000 1.140 524 Y CB 0.052 37.777 38.460 -1.225 0.000 1.071 524 Y HN -0.081 nan 8.280 nan 0.000 0.525 525 L N -1.345 119.690 121.223 -0.313 0.000 2.191 525 L HA -0.177 4.164 4.340 0.000 0.000 0.212 525 L C 0.683 177.233 176.870 -0.534 0.000 1.103 525 L CA 1.467 56.057 54.840 -0.416 0.000 0.769 525 L CB -0.307 41.234 42.059 -0.863 0.000 0.908 525 L HN 0.241 nan 8.230 nan 0.000 0.438 526 F N -1.994 117.932 119.950 -0.040 0.000 2.735 526 F HA 0.179 4.706 4.527 0.000 0.000 0.308 526 F C 1.633 177.139 175.800 -0.490 0.000 1.112 526 F CA -0.449 57.323 58.000 -0.380 0.000 1.235 526 F CB -0.521 38.252 39.000 -0.377 0.000 1.027 526 F HN -0.086 nan 8.300 nan 0.000 0.528 527 N N 1.326 119.957 118.700 -0.115 0.000 2.205 527 N HA -0.211 4.529 4.740 0.000 0.000 0.186 527 N C 2.014 177.501 175.510 -0.039 0.000 1.015 527 N CA 1.865 54.858 53.050 -0.094 0.000 0.862 527 N CB -0.237 38.207 38.487 -0.072 0.000 0.986 527 N HN 0.536 nan 8.380 nan 0.000 0.429 528 W N -0.022 121.326 121.300 0.079 0.000 2.392 528 W HA 0.031 4.692 4.660 0.000 0.000 0.279 528 W C 1.501 178.085 176.519 0.108 0.000 1.225 528 W CA 0.828 58.232 57.345 0.098 0.000 1.233 528 W CB -1.073 28.461 29.460 0.123 0.000 1.122 528 W HN 0.063 nan 8.180 nan 0.000 0.561 529 A N 1.474 123.874 122.820 -0.700 0.000 2.066 529 A HA 0.115 4.435 4.320 0.000 0.000 0.218 529 A C 1.143 178.578 177.584 -0.247 0.000 1.157 529 A CA 1.382 52.973 52.037 -0.743 0.000 0.670 529 A CB -0.902 17.467 19.000 -1.052 0.000 0.804 529 A HN 0.174 nan 8.150 nan 0.000 0.453 530 V N -3.233 116.577 119.914 -0.173 0.000 2.483 530 V HA 0.426 4.546 4.120 0.000 0.000 0.295 530 V C 0.781 176.852 176.094 -0.037 0.000 1.035 530 V CA -0.927 61.314 62.300 -0.098 0.000 0.896 530 V CB 1.370 33.125 31.823 -0.113 0.000 0.986 530 V HN 0.353 nan 8.190 nan 0.000 0.447 531 K N 1.574 121.961 120.400 -0.021 0.000 2.032 531 K HA -0.162 4.158 4.320 0.000 0.000 0.218 531 K C 1.145 177.733 176.600 -0.020 0.000 1.054 531 K CA 2.317 58.599 56.287 -0.009 0.000 0.941 531 K CB -0.202 32.293 32.500 -0.007 0.000 0.720 531 K HN 0.853 nan 8.250 nan 0.000 0.449 532 T N 1.849 116.384 114.554 -0.031 0.000 2.801 532 T HA 0.189 4.539 4.350 0.000 0.000 0.306 532 T C -0.882 173.790 174.700 -0.046 0.000 1.020 532 T CA -0.828 61.252 62.100 -0.035 0.000 0.948 532 T CB 0.339 69.188 68.868 -0.032 0.000 0.962 532 T HN 0.009 nan 8.240 nan 0.000 0.465 533 K N 3.548 123.921 120.400 -0.044 0.000 2.090 533 K HA 0.556 4.876 4.320 0.000 0.000 0.249 533 K C -0.564 175.995 176.600 -0.069 0.000 0.995 533 K CA -0.966 55.287 56.287 -0.056 0.000 0.914 533 K CB 1.011 33.487 32.500 -0.039 0.000 1.057 533 K HN 0.297 nan 8.250 nan 0.000 0.462 534 L N 1.142 122.306 121.223 -0.098 0.000 2.387 534 L HA 0.290 4.630 4.340 0.000 0.000 0.266 534 L C -0.011 176.787 176.870 -0.121 0.000 1.059 534 L CA -0.507 54.265 54.840 -0.114 0.000 0.801 534 L CB 0.431 42.398 42.059 -0.153 0.000 1.223 534 L HN 0.424 nan 8.230 nan 0.000 0.456 535 K N 1.368 121.707 120.400 -0.102 0.000 2.316 535 K HA 0.380 4.700 4.320 0.000 0.000 0.289 535 K C -1.109 175.415 176.600 -0.128 0.000 1.070 535 K CA 0.248 56.487 56.287 -0.080 0.000 0.928 535 K CB -0.061 32.416 32.500 -0.037 0.000 1.039 535 K HN 0.445 nan 8.250 nan 0.000 0.480 536 L N 5.585 126.729 121.223 -0.131 0.000 2.302 536 L HA 0.242 4.582 4.340 0.000 0.000 0.285 536 L C 0.467 177.391 176.870 0.089 0.000 1.090 536 L CA -0.641 54.099 54.840 -0.167 0.000 0.866 536 L CB 0.355 42.290 42.059 -0.207 0.000 1.244 536 L HN 0.766 nan 8.230 nan 0.000 0.435 537 T N 0.631 115.275 114.554 0.149 0.000 2.927 537 T HA 0.530 4.880 4.350 0.000 0.000 0.281 537 T C -2.421 172.410 174.700 0.219 0.000 0.998 537 T CA -2.167 60.025 62.100 0.153 0.000 1.019 537 T CB 1.442 70.370 68.868 0.100 0.000 1.061 537 T HN 0.128 nan 8.240 nan 0.000 0.518 538 P HA 0.134 nan 4.420 nan 0.000 0.267 538 P C -0.655 176.662 177.300 0.028 0.000 1.195 538 P CA 0.127 63.276 63.100 0.081 0.000 0.773 538 P CB 0.179 31.908 31.700 0.049 0.000 0.837 539 I N 4.509 125.043 120.570 -0.059 0.000 2.312 539 I HA 0.177 4.348 4.170 0.000 0.000 0.290 539 I C -1.390 174.685 176.117 -0.069 0.000 1.008 539 I CA -2.163 59.061 61.300 -0.127 0.000 1.226 539 I CB 1.648 39.474 38.000 -0.290 0.000 1.371 539 I HN 0.290 nan 8.210 nan 0.000 0.468 540 P HA -0.237 nan 4.420 nan 0.000 0.214 540 P C 1.500 178.777 177.300 -0.039 0.000 1.163 540 P CA 1.352 64.434 63.100 -0.030 0.000 0.889 540 P CB 0.255 31.944 31.700 -0.019 0.000 0.790 541 A N -0.326 122.465 122.820 -0.047 0.000 2.070 541 A HA -0.107 4.213 4.320 0.000 0.000 0.220 541 A C 2.284 179.834 177.584 -0.056 0.000 1.159 541 A CA 1.857 53.867 52.037 -0.045 0.000 0.656 541 A CB -1.515 17.460 19.000 -0.041 0.000 0.800 541 A HN 0.204 nan 8.150 nan 0.000 0.453 542 A N -0.327 122.453 122.820 -0.068 0.000 1.908 542 A HA -0.115 4.205 4.320 0.000 0.000 0.218 542 A C 2.289 179.832 177.584 -0.069 0.000 1.181 542 A CA 2.043 54.037 52.037 -0.071 0.000 0.627 542 A CB -0.783 18.177 19.000 -0.066 0.000 0.818 542 A HN 0.464 nan 8.150 nan 0.000 0.445 543 S N -0.467 115.201 115.700 -0.054 0.000 2.607 543 S HA -0.022 4.449 4.470 0.000 0.000 0.224 543 S C 1.571 176.140 174.600 -0.052 0.000 0.969 543 S CA 0.451 58.621 58.200 -0.050 0.000 0.927 543 S CB -0.004 63.176 63.200 -0.034 0.000 0.772 543 S HN 0.527 nan 8.310 nan 0.000 0.533 544 Q N 0.433 120.201 119.800 -0.053 0.000 2.360 544 Q HA 0.270 4.610 4.340 0.000 0.000 0.202 544 Q C -0.023 175.938 176.000 -0.065 0.000 0.915 544 Q CA 0.063 55.837 55.803 -0.049 0.000 0.943 544 Q CB 0.094 28.810 28.738 -0.037 0.000 1.064 544 Q HN 0.492 nan 8.270 nan 0.000 0.511 545 L N 1.755 122.923 121.223 -0.092 0.000 2.319 545 L HA 0.092 4.432 4.340 0.000 0.000 0.280 545 L C 0.309 177.084 176.870 -0.158 0.000 1.099 545 L CA -0.413 54.349 54.840 -0.128 0.000 0.828 545 L CB 0.642 42.596 42.059 -0.174 0.000 1.150 545 L HN -0.115 nan 8.230 nan 0.000 0.442 546 D N 4.527 124.843 120.400 -0.141 0.000 2.455 546 D HA 0.079 4.719 4.640 0.000 0.000 0.234 546 D C 0.485 176.626 176.300 -0.264 0.000 1.224 546 D CA 0.310 54.227 54.000 -0.139 0.000 0.999 546 D CB 0.330 41.090 40.800 -0.066 0.000 1.072 546 D HN 0.371 nan 8.370 nan 0.000 0.514 547 L N 2.224 123.233 121.223 -0.356 0.000 2.741 547 L HA 0.108 4.448 4.340 0.000 0.000 0.237 547 L C 0.767 177.434 176.870 -0.339 0.000 1.178 547 L CA -0.290 54.160 54.840 -0.650 0.000 0.973 547 L CB -0.185 41.464 42.059 -0.683 0.000 1.255 547 L HN 0.280 nan 8.230 nan 0.000 0.498 548 S N -0.560 115.047 115.700 -0.156 0.000 2.531 548 S HA 0.419 4.890 4.470 0.000 0.000 0.279 548 S C 1.225 175.848 174.600 0.038 0.000 1.305 548 S CA 0.416 58.591 58.200 -0.041 0.000 1.058 548 S CB 1.389 64.570 63.200 -0.032 0.000 0.899 548 S HN 0.554 nan 8.310 nan 0.000 0.493 549 G N 2.855 111.699 108.800 0.073 0.000 2.213 549 G HA2 -0.235 3.725 3.960 0.000 0.000 0.236 549 G HA3 -0.235 3.725 3.960 0.000 0.000 0.236 549 G C 0.527 175.566 174.900 0.231 0.000 0.991 549 G CA 0.255 45.404 45.100 0.081 0.000 0.629 549 G HN 0.679 nan 8.290 nan 0.000 0.517 550 W N 0.349 121.527 121.300 -0.202 0.000 2.379 550 W HA 0.428 5.088 4.660 0.000 0.000 0.307 550 W C 1.210 177.282 176.519 -0.746 0.000 1.200 550 W CA 1.310 58.278 57.345 -0.628 0.000 1.297 550 W CB -0.418 28.359 29.460 -1.139 0.000 1.140 550 W HN 0.217 nan 8.180 nan 0.000 0.507 551 F N -0.762 119.374 119.950 0.311 0.000 2.471 551 F HA 0.322 4.849 4.527 0.000 0.000 0.318 551 F C 0.582 176.520 175.800 0.231 0.000 1.308 551 F CA -0.513 57.662 58.000 0.291 0.000 1.162 551 F CB -0.222 38.912 39.000 0.224 0.000 1.383 551 F HN -0.399 nan 8.300 nan 0.000 0.552 552 V N 0.139 120.256 119.914 0.338 0.000 2.721 552 V HA 0.581 4.701 4.120 0.000 0.000 0.236 552 V C 0.977 177.228 176.094 0.261 0.000 1.116 552 V CA 0.802 63.252 62.300 0.248 0.000 1.148 552 V CB 0.438 32.383 31.823 0.203 0.000 0.886 552 V HN 0.447 nan 8.190 nan 0.000 0.490 553 A N -0.947 121.986 122.820 0.189 0.000 2.583 553 A HA 0.808 5.128 4.320 0.000 0.000 0.289 553 A C -0.291 176.994 177.584 -0.497 0.000 1.151 553 A CA 0.072 52.080 52.037 -0.049 0.000 0.695 553 A CB 1.195 19.985 19.000 -0.350 0.000 1.290 553 A HN 0.410 nan 8.150 nan 0.000 0.419 554 G N -1.688 106.534 108.800 -0.964 0.000 2.410 554 G HA2 0.562 4.522 3.960 0.000 0.000 0.330 554 G HA3 0.562 4.522 3.960 0.000 0.000 0.330 554 G C -1.015 173.289 174.900 -0.993 0.000 1.142 554 G CA -0.150 44.070 45.100 -1.467 0.000 0.902 554 G HN 0.612 nan 8.290 nan 0.000 0.491 555 Y N 0.209 120.303 120.300 -0.343 0.000 2.888 555 Y HA 0.198 4.748 4.550 0.000 0.000 0.260 555 Y C 1.352 177.180 175.900 -0.121 0.000 1.113 555 Y CA -0.675 57.326 58.100 -0.164 0.000 1.237 555 Y CB 0.124 38.513 38.460 -0.118 0.000 1.307 555 Y HN 0.589 nan 8.280 nan 0.000 0.580 556 S N -0.119 115.565 115.700 -0.027 0.000 2.552 556 S HA 0.356 4.826 4.470 0.000 0.000 0.289 556 S C 1.610 176.234 174.600 0.040 0.000 1.304 556 S CA 0.484 58.693 58.200 0.014 0.000 1.063 556 S CB 1.048 64.261 63.200 0.021 0.000 0.848 556 S HN 0.980 nan 8.310 nan 0.000 0.499 557 G N 2.413 111.239 108.800 0.042 0.000 2.205 557 G HA2 -0.253 3.707 3.960 0.000 0.000 0.269 557 G HA3 -0.253 3.707 3.960 0.000 0.000 0.269 557 G C 0.816 175.745 174.900 0.048 0.000 0.977 557 G CA 0.389 45.519 45.100 0.049 0.000 0.652 557 G HN 1.558 nan 8.290 nan 0.000 0.539 558 G N -0.302 108.531 108.800 0.054 0.000 2.985 558 G HA2 0.375 4.336 3.960 0.000 0.000 0.209 558 G HA3 0.375 4.336 3.960 0.000 0.000 0.209 558 G C 0.485 175.405 174.900 0.032 0.000 1.165 558 G CA 1.116 46.264 45.100 0.080 0.000 0.776 558 G HN 1.114 nan 8.290 nan 0.000 0.541 559 D N -0.384 119.998 120.400 -0.030 0.000 2.705 559 D HA -0.167 4.474 4.640 0.000 0.000 0.240 559 D C -0.156 176.066 176.300 -0.131 0.000 1.137 559 D CA 0.390 54.333 54.000 -0.096 0.000 0.677 559 D CB -1.199 39.555 40.800 -0.076 0.000 1.049 559 D HN 0.125 nan 8.370 nan 0.000 0.427 560 I N 1.517 121.983 120.570 -0.174 0.000 2.378 560 I HA 0.327 4.497 4.170 0.000 0.000 0.291 560 I C -0.170 175.704 176.117 -0.405 0.000 0.992 560 I CA -0.752 60.354 61.300 -0.323 0.000 1.154 560 I CB 1.288 39.002 38.000 -0.476 0.000 1.315 560 I HN 0.087 nan 8.210 nan 0.000 0.448 561 Y N 6.129 126.100 120.300 -0.548 0.000 2.350 561 Y HA 0.474 5.024 4.550 0.000 0.000 0.338 561 Y C -0.407 175.168 175.900 -0.541 0.000 0.961 561 Y CA -0.354 57.439 58.100 -0.512 0.000 1.100 561 Y CB 1.217 39.492 38.460 -0.309 0.000 1.179 561 Y HN 0.613 nan 8.280 nan 0.000 0.454 562 H N 0.000 118.478 119.070 -0.986 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.582 56.048 -0.777 0.000 1.023 562 H CB 0.000 29.251 29.762 -0.851 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496