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 2jc0_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSASLRQK 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 VVICESAGVQ 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 KTKXXLTPIP AASQLDLSSW DATA SEQUENCE FVAGYSGGDI YHS 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 0.000 174.577 174.600 -0.038 0.000 1.055 1 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 1 S CB 0.000 63.177 63.200 -0.039 0.000 0.593 2 M N 3.921 123.489 119.600 -0.052 0.000 2.217 2 M HA 0.255 4.734 4.480 -0.001 0.000 0.354 2 M C 1.913 178.105 176.300 -0.180 0.000 1.225 2 M CA -0.050 55.207 55.300 -0.072 0.000 1.137 2 M CB 0.675 33.250 32.600 -0.041 0.000 1.576 2 M HN 0.864 nan 8.290 nan 0.000 0.461 3 S N 2.266 117.791 115.700 -0.293 0.000 2.400 3 S HA -0.116 4.354 4.470 -0.001 0.000 0.232 3 S C 0.005 174.176 174.600 -0.715 0.000 1.025 3 S CA 1.082 58.982 58.200 -0.500 0.000 0.993 3 S CB -0.283 62.531 63.200 -0.645 0.000 0.808 3 S HN 0.656 nan 8.310 nan 0.000 0.478 4 Y N 0.416 120.526 120.300 -0.316 0.000 2.552 4 Y HA 0.518 5.067 4.550 -0.002 0.000 0.337 4 Y C -0.201 175.345 175.900 -0.589 0.000 1.094 4 Y CA -0.955 56.812 58.100 -0.553 0.000 1.028 4 Y CB 1.825 39.764 38.460 -0.868 0.000 1.321 4 Y HN 0.115 nan 8.280 nan 0.000 0.456 5 T N -2.123 112.155 114.554 -0.460 0.000 2.863 5 T HA 0.717 5.066 4.350 -0.001 0.000 0.285 5 T C -1.277 173.168 174.700 -0.426 0.000 1.009 5 T CA -0.759 61.136 62.100 -0.341 0.000 0.989 5 T CB 1.179 69.984 68.868 -0.105 0.000 1.004 5 T HN 0.544 nan 8.240 nan 0.000 0.455 6 W N 1.016 122.368 121.300 0.086 0.000 2.761 6 W HA 0.470 5.129 4.660 -0.002 0.000 0.340 6 W C 1.373 177.919 176.519 0.045 0.000 1.072 6 W CA -0.892 56.488 57.345 0.058 0.000 1.215 6 W CB 2.141 31.618 29.460 0.029 0.000 1.420 6 W HN 0.892 nan 8.180 nan 0.000 0.519 7 T N -2.220 112.519 114.554 0.307 0.000 3.057 7 T HA 0.281 4.630 4.350 -0.001 0.000 0.254 7 T C 1.504 176.289 174.700 0.143 0.000 1.094 7 T CA 0.723 62.928 62.100 0.175 0.000 1.088 7 T CB 0.042 68.989 68.868 0.132 0.000 0.934 7 T HN 1.172 nan 8.240 nan 0.000 0.497 8 G N 1.472 110.365 108.800 0.155 0.000 2.241 8 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.244 8 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.244 8 G C 0.430 175.352 174.900 0.036 0.000 0.998 8 G CA -0.097 45.042 45.100 0.065 0.000 0.621 8 G HN 1.188 nan 8.290 nan 0.000 0.519 9 A N 0.507 123.362 122.820 0.060 0.000 2.520 9 A HA 0.593 4.912 4.320 -0.001 0.000 0.235 9 A C 0.818 178.407 177.584 0.008 0.000 1.065 9 A CA 0.382 52.441 52.037 0.037 0.000 0.764 9 A CB 0.177 19.209 19.000 0.053 0.000 1.002 9 A HN 0.981 nan 8.150 nan 0.000 0.502 10 L N 1.550 122.767 121.223 -0.011 0.000 2.436 10 L HA 0.262 4.601 4.340 -0.001 0.000 0.265 10 L C 0.138 176.990 176.870 -0.030 0.000 1.168 10 L CA -0.199 54.617 54.840 -0.040 0.000 0.815 10 L CB 0.644 42.685 42.059 -0.031 0.000 1.109 10 L HN 0.551 nan 8.230 nan 0.000 0.462 11 I N 1.699 122.234 120.570 -0.059 0.000 2.363 11 I HA 0.097 4.267 4.170 -0.001 0.000 0.292 11 I C 0.450 176.558 176.117 -0.015 0.000 1.075 11 I CA -0.067 61.213 61.300 -0.034 0.000 1.333 11 I CB 0.580 38.543 38.000 -0.063 0.000 1.415 11 I HN 0.651 nan 8.210 nan 0.000 0.502 12 T N 4.899 119.455 114.554 0.002 0.000 2.929 12 T HA 0.573 4.923 4.350 -0.001 0.000 0.284 12 T C -2.437 172.276 174.700 0.021 0.000 1.014 12 T CA -2.058 60.047 62.100 0.009 0.000 1.051 12 T CB 1.710 70.582 68.868 0.008 0.000 1.028 12 T HN 0.239 nan 8.240 nan 0.000 0.485 13 P HA 0.261 nan 4.420 nan 0.000 0.276 13 P C 0.274 177.594 177.300 0.033 0.000 1.252 13 P CA -0.692 62.428 63.100 0.032 0.000 0.802 13 P CB 0.911 32.629 31.700 0.031 0.000 1.035 14 C N 0.003 119.326 119.300 0.039 0.000 3.392 14 C HA 0.739 5.198 4.460 -0.001 0.000 0.301 14 C C 0.417 175.426 174.990 0.032 0.000 1.354 14 C CA 0.618 59.658 59.018 0.038 0.000 1.732 14 C CB -1.069 26.704 27.740 0.055 0.000 2.269 14 C HN 0.725 nan 8.230 nan 0.000 0.673 15 A N 0.433 123.273 122.820 0.033 0.000 2.557 15 A HA 0.770 5.089 4.320 -0.001 0.000 0.292 15 A C -0.502 177.106 177.584 0.040 0.000 1.139 15 A CA 0.143 52.200 52.037 0.034 0.000 0.665 15 A CB -0.138 18.883 19.000 0.034 0.000 1.285 15 A HN 1.358 nan 8.150 nan 0.000 0.433 16 A N 0.126 122.972 122.820 0.043 0.000 2.511 16 A HA 0.512 4.831 4.320 -0.001 0.000 0.242 16 A C 0.026 177.650 177.584 0.066 0.000 1.069 16 A CA 0.494 52.561 52.037 0.051 0.000 0.763 16 A CB -0.334 18.696 19.000 0.051 0.000 1.001 16 A HN 0.613 nan 8.150 nan 0.000 0.498 17 E N 1.304 121.548 120.200 0.073 0.000 2.212 17 E HA 0.431 4.780 4.350 -0.001 0.000 0.268 17 E C -1.013 175.664 176.600 0.128 0.000 0.902 17 E CA -0.480 55.977 56.400 0.095 0.000 0.779 17 E CB 1.893 31.638 29.700 0.075 0.000 1.172 17 E HN 0.754 nan 8.360 nan 0.000 0.409 18 E N 0.748 121.069 120.200 0.200 0.000 2.222 18 E HA 0.171 4.520 4.350 -0.001 0.000 0.267 18 E C 0.007 176.826 176.600 0.365 0.000 0.884 18 E CA -0.257 56.302 56.400 0.265 0.000 0.764 18 E CB 1.731 31.628 29.700 0.327 0.000 1.169 18 E HN 0.552 nan 8.360 nan 0.000 0.413 19 S N 2.529 118.419 115.700 0.317 0.000 2.497 19 S HA 0.010 4.480 4.470 -0.001 0.000 0.221 19 S C 0.759 175.653 174.600 0.489 0.000 1.037 19 S CA -0.007 58.410 58.200 0.362 0.000 0.920 19 S CB 0.142 63.486 63.200 0.241 0.000 0.800 19 S HN 0.362 nan 8.310 nan 0.000 0.505 20 K N 1.595 122.196 120.400 0.334 0.000 2.205 20 K HA 0.337 4.657 4.320 -0.001 0.000 0.279 20 K C -0.474 176.153 176.600 0.045 0.000 1.027 20 K CA -0.878 55.544 56.287 0.226 0.000 0.932 20 K CB 0.662 33.230 32.500 0.113 0.000 1.032 20 K HN 0.207 nan 8.250 nan 0.000 0.466 21 L N 6.681 127.926 121.223 0.037 0.000 2.660 21 L HA 0.074 4.414 4.340 -0.001 0.000 0.272 21 L C -2.331 174.262 176.870 -0.463 0.000 1.194 21 L CA -0.634 54.011 54.840 -0.326 0.000 0.945 21 L CB -0.125 41.920 42.059 -0.023 0.000 1.212 21 L HN 0.592 nan 8.230 nan 0.000 0.490 22 P HA 0.209 nan 4.420 nan 0.000 0.271 22 P C -0.940 176.121 177.300 -0.399 0.000 1.216 22 P CA -0.113 62.685 63.100 -0.504 0.000 0.771 22 P CB 0.607 31.954 31.700 -0.587 0.000 0.864 23 I N 3.480 123.872 120.570 -0.297 0.000 2.404 23 I HA 0.367 4.537 4.170 -0.001 0.000 0.293 23 I C 0.540 176.542 176.117 -0.192 0.000 0.992 23 I CA -0.667 60.464 61.300 -0.283 0.000 1.149 23 I CB 1.187 39.016 38.000 -0.285 0.000 1.315 23 I HN 0.479 nan 8.210 nan 0.000 0.446 24 N N 4.368 122.971 118.700 -0.161 0.000 3.283 24 N HA 0.450 5.189 4.740 -0.001 0.000 0.338 24 N C 0.465 175.927 175.510 -0.080 0.000 1.517 24 N CA -0.400 52.585 53.050 -0.110 0.000 0.733 24 N CB 0.404 38.828 38.487 -0.104 0.000 1.797 24 N HN 0.357 nan 8.380 nan 0.000 0.637 25 A N -0.629 122.156 122.820 -0.058 0.000 2.125 25 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 25 A C 1.690 179.254 177.584 -0.033 0.000 1.156 25 A CA 0.888 52.900 52.037 -0.041 0.000 0.671 25 A CB -0.935 18.043 19.000 -0.036 0.000 0.794 25 A HN 0.539 nan 8.150 nan 0.000 0.459 26 L N -1.472 119.731 121.223 -0.034 0.000 2.554 26 L HA 0.043 4.383 4.340 -0.001 0.000 0.225 26 L C 2.411 179.303 176.870 0.037 0.000 1.104 26 L CA 0.404 55.242 54.840 -0.004 0.000 0.866 26 L CB -0.095 41.948 42.059 -0.027 0.000 1.047 26 L HN 0.228 nan 8.230 nan 0.000 0.468 27 S N 0.649 116.341 115.700 -0.013 0.000 2.356 27 S HA -0.144 4.325 4.470 -0.001 0.000 0.223 27 S C 1.673 176.300 174.600 0.045 0.000 1.032 27 S CA 1.493 59.677 58.200 -0.026 0.000 1.005 27 S CB -0.212 62.885 63.200 -0.172 0.000 0.867 27 S HN 0.443 nan 8.310 nan 0.000 0.449 28 N N 1.392 120.131 118.700 0.065 0.000 2.381 28 N HA -0.028 4.711 4.740 -0.001 0.000 0.182 28 N C 1.812 177.343 175.510 0.035 0.000 1.025 28 N CA 1.092 54.205 53.050 0.104 0.000 0.888 28 N CB -0.399 38.138 38.487 0.083 0.000 0.965 28 N HN 0.548 nan 8.380 nan 0.000 0.438 29 S N -0.576 115.140 115.700 0.026 0.000 2.453 29 S HA -0.017 4.452 4.470 -0.001 0.000 0.231 29 S C 1.750 176.367 174.600 0.028 0.000 1.005 29 S CA 0.327 58.521 58.200 -0.010 0.000 0.949 29 S CB -0.124 63.083 63.200 0.011 0.000 0.774 29 S HN 0.198 nan 8.310 nan 0.000 0.510 30 L N -0.002 121.252 121.223 0.052 0.000 2.200 30 L HA 0.582 4.921 4.340 -0.001 0.000 0.200 30 L C 0.197 177.118 176.870 0.085 0.000 1.072 30 L CA 1.021 55.882 54.840 0.035 0.000 0.787 30 L CB 0.110 41.984 42.059 -0.310 0.000 0.957 30 L HN 0.482 nan 8.230 nan 0.000 0.459 31 L N -0.667 120.595 121.223 0.065 0.000 2.596 31 L HA 0.347 4.686 4.340 -0.001 0.000 0.265 31 L C 0.458 177.376 176.870 0.079 0.000 0.962 31 L CA -0.241 54.642 54.840 0.071 0.000 0.891 31 L CB 1.304 43.433 42.059 0.116 0.000 1.248 31 L HN 0.016 nan 8.230 nan 0.000 0.410 32 R N 1.191 121.604 120.500 -0.144 0.000 2.173 32 R HA 0.121 4.460 4.340 -0.001 0.000 0.208 32 R C -0.055 175.888 176.300 -0.596 0.000 1.035 32 R CA 0.465 56.347 56.100 -0.362 0.000 1.004 32 R CB 0.065 30.136 30.300 -0.381 0.000 0.917 32 R HN 0.619 nan 8.270 nan 0.000 0.462 33 H N 0.413 119.360 119.070 -0.204 0.000 2.745 33 H HA 0.112 4.667 4.556 -0.001 0.000 0.235 33 H C 0.397 175.702 175.328 -0.039 0.000 1.815 33 H CA -0.319 55.634 56.048 -0.158 0.000 1.321 33 H CB 0.079 29.813 29.762 -0.047 0.000 1.716 33 H HN 0.326 nan 8.280 nan 0.000 0.546 34 H N 0.325 119.479 119.070 0.140 0.000 2.387 34 H HA -0.133 4.422 4.556 -0.001 0.000 0.299 34 H C 1.601 177.003 175.328 0.123 0.000 1.090 34 H CA 0.552 56.662 56.048 0.103 0.000 1.332 34 H CB 0.276 30.072 29.762 0.055 0.000 1.386 34 H HN 0.439 nan 8.280 nan 0.000 0.516 35 N N 0.571 119.395 118.700 0.206 0.000 2.334 35 N HA -0.135 4.605 4.740 -0.001 0.000 0.187 35 N C 1.397 177.009 175.510 0.170 0.000 1.016 35 N CA 1.130 54.273 53.050 0.156 0.000 0.879 35 N CB -0.084 38.456 38.487 0.090 0.000 0.965 35 N HN 0.472 nan 8.380 nan 0.000 0.438 36 M N -0.383 119.327 119.600 0.183 0.000 2.558 36 M HA 0.055 4.535 4.480 -0.001 0.000 0.255 36 M C -0.090 176.379 176.300 0.280 0.000 1.113 36 M CA 0.298 55.717 55.300 0.197 0.000 1.097 36 M CB 0.570 33.262 32.600 0.153 0.000 1.426 36 M HN -0.222 nan 8.290 nan 0.000 0.488 37 V N 1.050 121.140 119.914 0.293 0.000 2.481 37 V HA 0.318 4.437 4.120 -0.001 0.000 0.286 37 V C -0.740 175.613 176.094 0.432 0.000 1.042 37 V CA -0.707 61.778 62.300 0.308 0.000 0.928 37 V CB 0.693 32.681 31.823 0.275 0.000 0.986 37 V HN 0.312 nan 8.190 nan 0.000 0.462 38 Y N 2.287 122.745 120.300 0.263 0.000 2.597 38 Y HA 0.907 5.456 4.550 -0.002 0.000 0.340 38 Y C -0.412 175.566 175.900 0.130 0.000 1.097 38 Y CA -1.493 56.771 58.100 0.274 0.000 1.037 38 Y CB 1.461 40.037 38.460 0.194 0.000 1.305 38 Y HN 0.706 nan 8.280 nan 0.000 0.463 39 A N 1.524 124.413 122.820 0.115 0.000 2.324 39 A HA 0.672 4.992 4.320 -0.001 0.000 0.330 39 A C 0.020 177.686 177.584 0.137 0.000 1.165 39 A CA -0.319 51.576 52.037 -0.237 0.000 0.813 39 A CB 0.354 18.946 19.000 -0.680 0.000 1.197 39 A HN 1.078 nan 8.150 nan 0.000 0.484 40 T N 0.014 114.636 114.554 0.114 0.000 2.898 40 T HA 0.545 4.894 4.350 -0.001 0.000 0.301 40 T C 0.422 175.180 174.700 0.096 0.000 1.049 40 T CA 0.383 62.608 62.100 0.208 0.000 1.095 40 T CB 0.720 69.729 68.868 0.235 0.000 0.976 40 T HN 1.367 nan 8.240 nan 0.000 0.539 41 T N -1.950 112.664 114.554 0.100 0.000 2.831 41 T HA 0.483 4.832 4.350 -0.001 0.000 0.287 41 T C 1.527 176.257 174.700 0.050 0.000 1.070 41 T CA -0.212 61.928 62.100 0.066 0.000 1.010 41 T CB 1.193 70.106 68.868 0.075 0.000 1.264 41 T HN 0.789 nan 8.240 nan 0.000 0.532 42 S N 0.116 115.838 115.700 0.036 0.000 2.419 42 S HA -0.178 4.291 4.470 -0.001 0.000 0.235 42 S C 1.886 176.488 174.600 0.004 0.000 1.019 42 S CA 0.708 58.919 58.200 0.018 0.000 0.982 42 S CB -0.776 62.434 63.200 0.017 0.000 0.789 42 S HN 0.696 nan 8.310 nan 0.000 0.490 43 R N 1.390 121.899 120.500 0.015 0.000 2.139 43 R HA -0.082 4.257 4.340 -0.001 0.000 0.243 43 R C 2.196 178.492 176.300 -0.008 0.000 1.145 43 R CA 1.665 57.768 56.100 0.005 0.000 0.976 43 R CB -0.564 29.747 30.300 0.018 0.000 0.866 43 R HN 0.769 nan 8.270 nan 0.000 0.449 44 S N -1.031 114.670 115.700 0.001 0.000 2.577 44 S HA 0.221 4.690 4.470 -0.001 0.000 0.219 44 S C 1.696 176.274 174.600 -0.037 0.000 0.962 44 S CA 0.227 58.419 58.200 -0.013 0.000 0.921 44 S CB 0.907 64.112 63.200 0.008 0.000 0.789 44 S HN 0.271 nan 8.310 nan 0.000 0.497 45 A N 1.924 124.715 122.820 -0.048 0.000 2.024 45 A HA 0.052 4.371 4.320 -0.001 0.000 0.220 45 A C 2.518 180.006 177.584 -0.159 0.000 1.164 45 A CA 1.939 53.924 52.037 -0.086 0.000 0.643 45 A CB -1.505 17.443 19.000 -0.087 0.000 0.806 45 A HN 0.794 nan 8.150 nan 0.000 0.451 46 S N -0.566 115.043 115.700 -0.152 0.000 2.406 46 S HA 0.102 4.571 4.470 -0.001 0.000 0.228 46 S C 1.951 176.447 174.600 -0.172 0.000 1.020 46 S CA 1.236 59.315 58.200 -0.202 0.000 0.965 46 S CB -0.327 nan 63.200 nan 0.000 0.798 46 S HN 0.463 nan 8.310 nan 0.000 0.488 47 L N 0.035 121.194 121.223 -0.106 0.000 2.072 47 L HA -0.057 4.283 4.340 -0.001 0.000 0.205 47 L C 2.702 179.535 176.870 -0.062 0.000 1.079 47 L CA 1.181 55.980 54.840 -0.070 0.000 0.752 47 L CB -0.116 41.918 42.059 -0.041 0.000 0.906 47 L HN 0.380 nan 8.230 nan 0.000 0.436 48 R N 0.365 120.825 120.500 -0.067 0.000 2.083 48 R HA -0.217 4.122 4.340 -0.001 0.000 0.237 48 R C 2.173 178.431 176.300 -0.070 0.000 1.137 48 R CA 1.832 57.908 56.100 -0.040 0.000 0.951 48 R CB -0.570 29.712 30.300 -0.029 0.000 0.851 48 R HN 0.418 nan 8.270 nan 0.000 0.434 49 Q N -0.106 119.567 119.800 -0.213 0.000 2.112 49 Q HA -0.202 4.137 4.340 -0.001 0.000 0.206 49 Q C 1.833 177.766 176.000 -0.111 0.000 0.987 49 Q CA 1.905 57.486 55.803 -0.370 0.000 0.858 49 Q CB -0.083 28.095 28.738 -0.933 0.000 0.905 49 Q HN 0.212 nan 8.270 nan 0.000 0.420 50 K N 0.895 121.246 120.400 -0.082 0.000 2.057 50 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 50 K C 1.907 178.585 176.600 0.131 0.000 1.050 50 K CA 1.175 57.484 56.287 0.037 0.000 0.935 50 K CB -0.174 32.331 32.500 0.009 0.000 0.715 50 K HN 0.196 nan 8.250 nan 0.000 0.439 51 K N 0.945 121.411 120.400 0.110 0.000 2.057 51 K HA -0.100 4.219 4.320 -0.001 0.000 0.207 51 K C 1.982 178.769 176.600 0.312 0.000 1.049 51 K CA 1.543 57.934 56.287 0.174 0.000 0.931 51 K CB -0.242 32.328 32.500 0.117 0.000 0.714 51 K HN 0.116 nan 8.250 nan 0.000 0.440 52 V N -1.122 118.948 119.914 0.260 0.000 3.573 52 V HA 0.028 4.147 4.120 -0.001 0.000 0.270 52 V C 0.280 176.492 176.094 0.195 0.000 1.221 52 V CA 0.358 62.834 62.300 0.294 0.000 1.163 52 V CB -0.310 31.655 31.823 0.237 0.000 0.847 52 V HN -0.005 nan 8.190 nan 0.000 0.468 53 T N 4.105 118.827 114.554 0.280 0.000 2.756 53 T HA 0.737 5.086 4.350 -0.001 0.000 0.290 53 T C -0.762 174.084 174.700 0.243 0.000 0.985 53 T CA -0.051 62.186 62.100 0.228 0.000 0.955 53 T CB 0.571 69.707 68.868 0.448 0.000 0.930 53 T HN 0.646 nan 8.240 nan 0.000 0.451 54 F N -0.248 119.802 119.950 0.167 0.000 2.807 54 F HA 0.629 5.156 4.527 0.000 0.000 0.316 54 F C -1.374 174.461 175.800 0.059 0.000 1.162 54 F CA -1.634 56.426 58.000 0.100 0.000 0.910 54 F CB 0.616 39.666 39.000 0.085 0.000 1.314 54 F HN 0.248 nan 8.300 nan 0.000 0.454 55 D N 0.710 121.309 120.400 0.331 0.000 2.256 55 D HA 0.521 5.160 4.640 -0.001 0.000 0.250 55 D C -0.912 175.534 176.300 0.244 0.000 1.093 55 D CA -0.081 54.026 54.000 0.179 0.000 0.882 55 D CB 0.998 41.870 40.800 0.121 0.000 1.185 55 D HN 0.585 nan 8.370 nan 0.000 0.437 56 R N 2.305 122.887 120.500 0.137 0.000 2.514 56 R HA 0.640 4.979 4.340 -0.001 0.000 0.301 56 R C -0.979 175.354 176.300 0.055 0.000 0.962 56 R CA -0.702 55.474 56.100 0.126 0.000 0.882 56 R CB 1.166 31.522 30.300 0.094 0.000 1.143 56 R HN 0.296 nan 8.270 nan 0.000 0.452 57 L N 1.912 123.161 121.223 0.043 0.000 2.362 57 L HA 0.474 4.813 4.340 -0.001 0.000 0.275 57 L C -0.560 176.310 176.870 -0.000 0.000 0.998 57 L CA -0.165 54.682 54.840 0.013 0.000 0.820 57 L CB 1.960 44.024 42.059 0.009 0.000 1.270 57 L HN 0.490 nan 8.230 nan 0.000 0.415 58 Q N 2.001 121.790 119.800 -0.018 0.000 2.337 58 Q HA 0.695 5.034 4.340 -0.001 0.000 0.270 58 Q C -1.549 174.425 176.000 -0.044 0.000 1.043 58 Q CA -0.643 55.141 55.803 -0.032 0.000 0.794 58 Q CB 3.132 31.833 28.738 -0.063 0.000 1.281 58 Q HN 0.363 nan 8.270 nan 0.000 0.446 59 V N 4.878 124.774 119.914 -0.030 0.000 2.407 59 V HA 0.439 4.558 4.120 -0.001 0.000 0.291 59 V C -0.683 175.407 176.094 -0.006 0.000 1.018 59 V CA -0.523 61.758 62.300 -0.031 0.000 0.842 59 V CB 1.358 33.161 31.823 -0.033 0.000 0.996 59 V HN 0.618 nan 8.190 nan 0.000 0.426 60 L N 5.727 126.905 121.223 -0.074 0.000 2.313 60 L HA 0.644 4.983 4.340 -0.001 0.000 0.283 60 L C -0.296 176.576 176.870 0.003 0.000 1.013 60 L CA -0.616 54.139 54.840 -0.142 0.000 0.816 60 L CB 1.765 43.544 42.059 -0.467 0.000 1.236 60 L HN 0.680 nan 8.230 nan 0.000 0.419 61 D N 0.245 120.729 120.400 0.139 0.000 2.588 61 D HA 0.169 4.808 4.640 -0.001 0.000 0.268 61 D C 0.201 176.566 176.300 0.108 0.000 1.176 61 D CA -0.606 53.459 54.000 0.108 0.000 1.080 61 D CB 0.811 41.682 40.800 0.120 0.000 1.186 61 D HN 0.271 nan 8.370 nan 0.000 0.619 62 D N -1.235 119.166 120.400 0.002 0.000 2.178 62 D HA -0.131 4.509 4.640 -0.001 0.000 0.202 62 D C 1.778 178.085 176.300 0.011 0.000 0.974 62 D CA 1.038 55.021 54.000 -0.028 0.000 0.841 62 D CB -0.206 40.530 40.800 -0.106 0.000 0.953 62 D HN 0.408 nan 8.370 nan 0.000 0.478 63 H N -0.377 118.759 119.070 0.110 0.000 2.352 63 H HA -0.159 4.396 4.556 -0.001 0.000 0.299 63 H C 1.985 177.351 175.328 0.064 0.000 1.097 63 H CA 0.932 57.035 56.048 0.092 0.000 1.311 63 H CB -0.701 29.139 29.762 0.130 0.000 1.377 63 H HN 0.319 nan 8.280 nan 0.000 0.504 64 Y N 1.859 122.196 120.300 0.060 0.000 2.097 64 Y HA -0.236 4.313 4.550 -0.002 0.000 0.282 64 Y C 2.731 178.582 175.900 -0.081 0.000 1.152 64 Y CA 1.705 59.718 58.100 -0.144 0.000 1.136 64 Y CB -0.094 38.192 38.460 -0.289 0.000 0.975 64 Y HN -0.051 nan 8.280 nan 0.000 0.498 65 R N 0.160 120.723 120.500 0.105 0.000 2.092 65 R HA -0.152 4.187 4.340 -0.001 0.000 0.231 65 R C 1.852 178.127 176.300 -0.043 0.000 1.119 65 R CA 1.454 57.564 56.100 0.016 0.000 0.970 65 R CB -0.350 30.000 30.300 0.084 0.000 0.864 65 R HN 0.438 nan 8.270 nan 0.000 0.440 66 D N 0.209 120.608 120.400 -0.001 0.000 2.103 66 D HA -0.159 4.480 4.640 -0.001 0.000 0.190 66 D C 1.989 178.272 176.300 -0.028 0.000 0.997 66 D CA 1.314 55.317 54.000 0.005 0.000 0.833 66 D CB -0.420 40.415 40.800 0.059 0.000 0.961 66 D HN 0.009 nan 8.370 nan 0.000 0.447 67 V N 1.204 121.083 119.914 -0.058 0.000 2.332 67 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 67 V C 2.505 178.535 176.094 -0.107 0.000 1.055 67 V CA 1.164 63.417 62.300 -0.077 0.000 1.038 67 V CB -0.516 31.229 31.823 -0.130 0.000 0.651 67 V HN 0.125 nan 8.190 nan 0.000 0.450 68 L N 0.486 121.579 121.223 -0.218 0.000 2.042 68 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 68 L C 2.390 179.194 176.870 -0.110 0.000 1.076 68 L CA 2.240 56.949 54.840 -0.219 0.000 0.749 68 L CB -0.866 40.989 42.059 -0.339 0.000 0.893 68 L HN 0.280 nan 8.230 nan 0.000 0.432 69 K N -0.454 119.900 120.400 -0.077 0.000 2.063 69 K HA -0.214 4.105 4.320 -0.001 0.000 0.208 69 K C 1.930 178.514 176.600 -0.028 0.000 1.048 69 K CA 1.946 58.209 56.287 -0.041 0.000 0.928 69 K CB -0.113 32.372 32.500 -0.023 0.000 0.713 69 K HN 0.531 nan 8.250 nan 0.000 0.442 70 E N 0.141 120.330 120.200 -0.018 0.000 2.077 70 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 70 E C 2.105 178.701 176.600 -0.005 0.000 0.989 70 E CA 1.516 57.915 56.400 -0.001 0.000 0.800 70 E CB -0.100 29.612 29.700 0.019 0.000 0.746 70 E HN 0.350 nan 8.360 nan 0.000 0.452 71 M N 0.690 120.284 119.600 -0.010 0.000 2.117 71 M HA -0.193 4.286 4.480 -0.001 0.000 0.262 71 M C 2.185 178.457 176.300 -0.047 0.000 1.065 71 M CA 1.551 56.835 55.300 -0.026 0.000 1.114 71 M CB -0.161 32.424 32.600 -0.026 0.000 1.361 71 M HN -0.049 nan 8.290 nan 0.000 0.408 72 K N 0.179 120.551 120.400 -0.046 0.000 2.097 72 K HA -0.084 4.236 4.320 -0.001 0.000 0.206 72 K C 2.085 178.668 176.600 -0.028 0.000 1.049 72 K CA 1.373 57.635 56.287 -0.041 0.000 0.933 72 K CB -0.261 32.215 32.500 -0.040 0.000 0.717 72 K HN 0.302 nan 8.250 nan 0.000 0.442 73 A N 1.969 124.775 122.820 -0.023 0.000 1.940 73 A HA -0.208 4.111 4.320 -0.001 0.000 0.219 73 A C 1.836 179.409 177.584 -0.019 0.000 1.176 73 A CA 1.524 53.552 52.037 -0.015 0.000 0.631 73 A CB -0.242 18.752 19.000 -0.009 0.000 0.814 73 A HN 0.182 nan 8.150 nan 0.000 0.446 74 K N -0.419 119.965 120.400 -0.026 0.000 2.062 74 K HA 0.013 4.332 4.320 -0.001 0.000 0.205 74 K C 2.310 178.886 176.600 -0.040 0.000 1.051 74 K CA 1.024 57.289 56.287 -0.036 0.000 0.941 74 K CB -0.387 32.082 32.500 -0.051 0.000 0.719 74 K HN 0.414 nan 8.250 nan 0.000 0.440 75 A N 1.620 124.414 122.820 -0.043 0.000 1.978 75 A HA -0.148 4.171 4.320 -0.001 0.000 0.220 75 A C 2.166 179.740 177.584 -0.016 0.000 1.170 75 A CA 1.772 53.789 52.037 -0.034 0.000 0.636 75 A CB -0.507 18.475 19.000 -0.031 0.000 0.810 75 A HN 0.200 nan 8.150 nan 0.000 0.448 76 S N -0.344 115.348 115.700 -0.014 0.000 2.474 76 S HA -0.110 4.359 4.470 -0.001 0.000 0.235 76 S C 1.947 176.543 174.600 -0.007 0.000 0.997 76 S CA 1.589 59.785 58.200 -0.006 0.000 0.949 76 S CB -0.530 62.667 63.200 -0.006 0.000 0.766 76 S HN 0.918 nan 8.310 nan 0.000 0.517 77 T N -0.610 113.936 114.554 -0.013 0.000 3.088 77 T HA 0.161 4.510 4.350 -0.001 0.000 0.259 77 T C 0.565 175.256 174.700 -0.014 0.000 1.122 77 T CA -0.059 62.033 62.100 -0.013 0.000 1.095 77 T CB -0.359 68.499 68.868 -0.017 0.000 0.930 77 T HN 0.051 nan 8.240 nan 0.000 0.508 78 V N 2.102 122.006 119.914 -0.017 0.000 2.583 78 V HA 0.365 4.485 4.120 -0.001 0.000 0.287 78 V C 0.151 176.241 176.094 -0.007 0.000 1.051 78 V CA -0.789 61.500 62.300 -0.019 0.000 1.010 78 V CB 1.060 32.868 31.823 -0.026 0.000 0.988 78 V HN 0.435 nan 8.190 nan 0.000 0.478 79 K N 3.769 124.165 120.400 -0.006 0.000 2.274 79 K HA 0.760 5.079 4.320 -0.001 0.000 0.262 79 K C -0.628 175.973 176.600 0.001 0.000 0.961 79 K CA -0.397 55.891 56.287 0.002 0.000 0.833 79 K CB 1.499 34.001 32.500 0.003 0.000 1.102 79 K HN 0.830 nan 8.250 nan 0.000 0.436 80 A N 4.058 126.883 122.820 0.008 0.000 2.365 80 A HA 0.467 4.786 4.320 -0.001 0.000 0.318 80 A C -1.217 176.380 177.584 0.022 0.000 1.091 80 A CA -0.947 51.095 52.037 0.009 0.000 0.763 80 A CB 0.947 19.948 19.000 0.002 0.000 1.248 80 A HN 0.850 nan 8.150 nan 0.000 0.442 81 K N 1.789 122.203 120.400 0.024 0.000 2.098 81 K HA 0.613 4.932 4.320 -0.001 0.000 0.258 81 K C -1.080 175.542 176.600 0.037 0.000 0.973 81 K CA -0.708 55.596 56.287 0.028 0.000 0.898 81 K CB 1.216 33.728 32.500 0.020 0.000 1.057 81 K HN 0.403 nan 8.250 nan 0.000 0.447 82 L N 3.290 124.532 121.223 0.032 0.000 2.360 82 L HA 0.167 4.506 4.340 -0.001 0.000 0.276 82 L C -0.608 176.241 176.870 -0.035 0.000 1.121 82 L CA -0.386 54.464 54.840 0.017 0.000 0.845 82 L CB 0.307 42.379 42.059 0.022 0.000 1.143 82 L HN 0.628 nan 8.230 nan 0.000 0.452 83 L N 3.571 124.756 121.223 -0.063 0.000 2.436 83 L HA 0.350 4.689 4.340 -0.001 0.000 0.265 83 L C 0.670 177.424 176.870 -0.194 0.000 1.168 83 L CA 0.349 55.126 54.840 -0.105 0.000 0.815 83 L CB 1.152 43.149 42.059 -0.104 0.000 1.109 83 L HN 0.861 nan 8.230 nan 0.000 0.462 84 S N 1.066 116.662 115.700 -0.173 0.000 2.614 84 S HA 0.233 4.702 4.470 -0.001 0.000 0.265 84 S C 1.325 175.768 174.600 -0.261 0.000 1.303 84 S CA -0.625 57.449 58.200 -0.209 0.000 1.000 84 S CB 0.902 64.020 63.200 -0.137 0.000 0.935 84 S HN 0.341 nan 8.310 nan 0.000 0.551 85 V N 1.896 121.619 119.914 -0.318 0.000 2.278 85 V HA -0.213 3.906 4.120 -0.001 0.000 0.251 85 V C 2.637 178.600 176.094 -0.218 0.000 1.062 85 V CA 2.558 64.657 62.300 -0.335 0.000 1.038 85 V CB -1.373 30.170 31.823 -0.467 0.000 0.646 85 V HN 0.887 nan 8.190 nan 0.000 0.447 86 E N 0.065 120.166 120.200 -0.165 0.000 2.077 86 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 86 E C 2.190 178.709 176.600 -0.134 0.000 0.989 86 E CA 1.394 57.718 56.400 -0.126 0.000 0.800 86 E CB -0.336 29.308 29.700 -0.092 0.000 0.746 86 E HN 0.696 nan 8.360 nan 0.000 0.452 87 E N 0.329 120.442 120.200 -0.144 0.000 2.085 87 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 87 E C 2.026 178.506 176.600 -0.200 0.000 0.994 87 E CA 1.077 57.382 56.400 -0.158 0.000 0.801 87 E CB -0.191 29.422 29.700 -0.145 0.000 0.743 87 E HN 0.283 nan 8.360 nan 0.000 0.453 88 A N 0.745 123.443 122.820 -0.202 0.000 1.930 88 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 88 A C 2.407 179.885 177.584 -0.177 0.000 1.175 88 A CA 0.950 52.862 52.037 -0.209 0.000 0.627 88 A CB -0.781 18.109 19.000 -0.183 0.000 0.815 88 A HN 0.349 nan 8.150 nan 0.000 0.443 89 C N -0.105 119.104 119.300 -0.150 0.000 2.413 89 C HA -0.084 4.375 4.460 -0.001 0.000 0.276 89 C C 2.589 177.504 174.990 -0.126 0.000 1.248 89 C CA 1.278 60.224 59.018 -0.120 0.000 1.742 89 C CB -0.737 26.937 27.740 -0.109 0.000 2.017 89 C HN 0.487 nan 8.230 nan 0.000 0.481 90 K N 0.707 121.026 120.400 -0.134 0.000 2.362 90 K HA 0.062 4.381 4.320 -0.001 0.000 0.200 90 K C 1.536 178.070 176.600 -0.109 0.000 1.046 90 K CA 0.831 57.049 56.287 -0.116 0.000 0.952 90 K CB -0.407 32.026 32.500 -0.111 0.000 0.753 90 K HN 0.552 nan 8.250 nan 0.000 0.466 91 L N 0.934 122.047 121.223 -0.183 0.000 2.554 91 L HA -0.003 4.336 4.340 -0.001 0.000 0.226 91 L C 0.394 177.187 176.870 -0.129 0.000 1.137 91 L CA 0.257 54.963 54.840 -0.224 0.000 0.863 91 L CB -0.172 41.620 42.059 -0.445 0.000 0.985 91 L HN -0.083 nan 8.230 nan 0.000 0.451 92 T N 1.803 116.284 114.554 -0.123 0.000 2.794 92 T HA 0.198 4.547 4.350 -0.001 0.000 0.296 92 T C -2.311 172.269 174.700 -0.199 0.000 0.949 92 T CA -1.104 60.923 62.100 -0.123 0.000 1.101 92 T CB 0.992 69.794 68.868 -0.109 0.000 0.905 92 T HN -0.135 nan 8.240 nan 0.000 0.516 93 P HA 0.133 nan 4.420 nan 0.000 0.267 93 P C -1.896 175.183 177.300 -0.368 0.000 1.205 93 P CA -1.329 61.608 63.100 -0.272 0.000 0.765 93 P CB 0.236 31.887 31.700 -0.082 0.000 0.828 94 P HA -0.162 nan 4.420 nan 0.000 0.218 94 P C 0.429 177.386 177.300 -0.573 0.000 1.146 94 P CA 1.681 64.439 63.100 -0.569 0.000 0.813 94 P CB -0.170 31.129 31.700 -0.667 0.000 0.778 95 H N -2.557 116.418 119.070 -0.157 0.000 2.520 95 H HA 0.253 4.808 4.556 -0.001 0.000 0.284 95 H C 0.619 175.884 175.328 -0.106 0.000 1.037 95 H CA -0.311 55.672 56.048 -0.107 0.000 1.168 95 H CB -0.051 29.663 29.762 -0.080 0.000 1.497 95 H HN -0.018 nan 8.280 nan 0.000 0.547 96 S N 1.353 117.011 115.700 -0.070 0.000 2.561 96 S HA 0.165 4.634 4.470 -0.001 0.000 0.294 96 S C 0.735 175.287 174.600 -0.081 0.000 1.294 96 S CA -0.378 57.770 58.200 -0.087 0.000 1.055 96 S CB 0.116 63.258 63.200 -0.095 0.000 0.819 96 S HN 0.507 nan 8.310 nan 0.000 0.503 97 A N 5.114 127.868 122.820 -0.110 0.000 2.546 97 A HA 0.224 4.544 4.320 -0.001 0.000 0.243 97 A C 0.621 178.171 177.584 -0.056 0.000 1.063 97 A CA -0.154 51.837 52.037 -0.077 0.000 0.757 97 A CB -0.116 18.822 19.000 -0.103 0.000 0.991 97 A HN 0.864 nan 8.150 nan 0.000 0.503 98 K N 2.527 122.885 120.400 -0.070 0.000 2.355 98 K HA 0.254 4.573 4.320 -0.001 0.000 0.270 98 K C 0.306 176.780 176.600 -0.209 0.000 1.003 98 K CA 0.096 56.299 56.287 -0.139 0.000 0.957 98 K CB 0.494 32.920 32.500 -0.122 0.000 0.939 98 K HN 0.478 nan 8.250 nan 0.000 0.482 99 S N 1.066 116.510 115.700 -0.426 0.000 2.568 99 S HA 0.012 4.482 4.470 -0.001 0.000 0.282 99 S C 0.805 175.143 174.600 -0.436 0.000 1.338 99 S CA -0.306 57.587 58.200 -0.512 0.000 1.045 99 S CB 0.551 63.047 63.200 -1.173 0.000 0.873 99 S HN 0.709 nan 8.310 nan 0.000 0.516 100 K N 2.298 122.408 120.400 -0.484 0.000 2.442 100 K HA -0.029 4.290 4.320 -0.001 0.000 0.198 100 K C -0.159 175.996 176.600 -0.741 0.000 1.042 100 K CA 1.016 56.910 56.287 -0.656 0.000 0.958 100 K CB -0.140 31.855 32.500 -0.842 0.000 0.766 100 K HN 0.637 nan 8.250 nan 0.000 0.474 101 F N 0.405 120.240 119.950 -0.191 0.000 2.983 101 F HA 0.270 4.796 4.527 -0.001 0.000 0.307 101 F C 0.919 176.622 175.800 -0.160 0.000 1.218 101 F CA -0.511 57.418 58.000 -0.119 0.000 1.323 101 F CB 0.661 39.647 39.000 -0.024 0.000 0.989 101 F HN 0.020 nan 8.300 nan 0.000 0.509 102 G N 0.769 109.530 108.800 -0.066 0.000 2.171 102 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.238 102 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.238 102 G C -0.441 174.526 174.900 0.112 0.000 1.039 102 G CA 0.176 45.288 45.100 0.019 0.000 0.759 102 G HN 0.641 nan 8.290 nan 0.000 0.501 103 Y N -3.169 117.082 120.300 -0.082 0.000 2.656 103 Y HA 0.759 5.308 4.550 -0.001 0.000 0.334 103 Y C 0.370 176.243 175.900 -0.045 0.000 1.179 103 Y CA -0.943 57.123 58.100 -0.057 0.000 1.050 103 Y CB 0.498 38.922 38.460 -0.060 0.000 1.308 103 Y HN 0.735 nan 8.280 nan 0.000 0.456 104 G N -0.179 108.652 108.800 0.052 0.000 3.211 104 G HA2 0.551 4.510 3.960 -0.001 0.000 0.262 104 G HA3 0.551 4.510 3.960 -0.001 0.000 0.262 104 G C 0.154 175.073 174.900 0.032 0.000 1.352 104 G CA -0.728 44.352 45.100 -0.034 0.000 1.004 104 G HN 1.187 nan 8.290 nan 0.000 0.559 105 A N -0.399 122.397 122.820 -0.040 0.000 1.902 105 A HA 0.023 4.342 4.320 -0.001 0.000 0.217 105 A C 2.113 179.642 177.584 -0.092 0.000 1.181 105 A CA 1.877 53.873 52.037 -0.069 0.000 0.623 105 A CB -0.402 18.521 19.000 -0.128 0.000 0.818 105 A HN 0.554 nan 8.150 nan 0.000 0.443 106 K N -0.259 120.079 120.400 -0.103 0.000 2.217 106 K HA -0.084 4.235 4.320 -0.001 0.000 0.202 106 K C 1.168 177.736 176.600 -0.053 0.000 1.051 106 K CA 1.118 57.340 56.287 -0.108 0.000 0.952 106 K CB -0.172 32.258 32.500 -0.117 0.000 0.736 106 K HN 0.420 nan 8.250 nan 0.000 0.453 107 D N 0.956 121.356 120.400 -0.000 0.000 2.097 107 D HA -0.129 4.510 4.640 -0.001 0.000 0.195 107 D C 2.069 178.374 176.300 0.008 0.000 0.989 107 D CA 0.975 54.991 54.000 0.028 0.000 0.827 107 D CB -0.344 40.521 40.800 0.108 0.000 0.966 107 D HN -0.077 nan 8.370 nan 0.000 0.456 108 V N 1.427 121.364 119.914 0.038 0.000 2.255 108 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 108 V C 2.518 178.580 176.094 -0.054 0.000 1.051 108 V CA 1.686 63.987 62.300 0.002 0.000 1.018 108 V CB -0.406 31.443 31.823 0.043 0.000 0.641 108 V HN 0.147 nan 8.190 nan 0.000 0.445 109 R N 0.144 120.597 120.500 -0.078 0.000 2.120 109 R HA -0.102 4.238 4.340 -0.001 0.000 0.234 109 R C 1.911 178.160 176.300 -0.085 0.000 1.123 109 R CA 1.291 57.328 56.100 -0.107 0.000 0.975 109 R CB -0.404 29.801 30.300 -0.159 0.000 0.866 109 R HN 0.488 nan 8.270 nan 0.000 0.446 110 N N 0.876 119.534 118.700 -0.069 0.000 2.515 110 N HA 0.018 4.757 4.740 -0.001 0.000 0.185 110 N C 0.270 175.750 175.510 -0.050 0.000 1.109 110 N CA 0.388 53.405 53.050 -0.055 0.000 0.903 110 N CB 0.093 38.554 38.487 -0.044 0.000 0.969 110 N HN 0.150 nan 8.380 nan 0.000 0.450 111 L N 0.392 121.581 121.223 -0.057 0.000 3.634 111 L HA -0.220 4.119 4.340 -0.001 0.000 0.423 111 L C 0.104 176.945 176.870 -0.049 0.000 1.253 111 L CA -0.019 54.787 54.840 -0.057 0.000 0.885 111 L CB -2.717 39.310 42.059 -0.053 0.000 1.789 111 L HN 0.120 nan 8.230 nan 0.000 0.904 112 S N -0.584 115.088 115.700 -0.048 0.000 2.533 112 S HA 0.292 4.762 4.470 -0.001 0.000 0.282 112 S C 1.554 176.126 174.600 -0.048 0.000 1.304 112 S CA -0.035 58.142 58.200 -0.038 0.000 1.063 112 S CB 1.735 64.921 63.200 -0.024 0.000 0.881 112 S HN 0.544 nan 8.310 nan 0.000 0.493 113 S N 3.646 119.327 115.700 -0.031 0.000 2.402 113 S HA -0.261 4.208 4.470 -0.001 0.000 0.233 113 S C 1.683 176.264 174.600 -0.030 0.000 1.030 113 S CA 1.404 59.588 58.200 -0.027 0.000 1.003 113 S CB -0.617 62.572 63.200 -0.018 0.000 0.813 113 S HN 0.910 nan 8.310 nan 0.000 0.477 114 K N 1.663 122.050 120.400 -0.022 0.000 2.062 114 K HA 0.082 4.401 4.320 -0.001 0.000 0.205 114 K C 2.308 178.867 176.600 -0.068 0.000 1.051 114 K CA 1.009 57.309 56.287 0.022 0.000 0.941 114 K CB -0.595 31.947 32.500 0.070 0.000 0.719 114 K HN 0.419 nan 8.250 nan 0.000 0.440 115 A N 0.935 123.574 122.820 -0.302 0.000 1.854 115 A HA -0.070 4.249 4.320 -0.001 0.000 0.214 115 A C 2.253 179.613 177.584 -0.374 0.000 1.192 115 A CA 1.466 53.058 52.037 -0.741 0.000 0.611 115 A CB -0.817 17.870 19.000 -0.522 0.000 0.832 115 A HN 0.142 nan 8.150 nan 0.000 0.442 116 V N 1.415 121.221 119.914 -0.181 0.000 2.278 116 V HA -0.330 3.789 4.120 -0.001 0.000 0.251 116 V C 2.565 178.670 176.094 0.019 0.000 1.062 116 V CA 2.436 64.688 62.300 -0.081 0.000 1.038 116 V CB -1.090 30.720 31.823 -0.022 0.000 0.646 116 V HN 0.700 nan 8.190 nan 0.000 0.447 117 N N -0.712 117.990 118.700 0.004 0.000 2.104 117 N HA -0.200 4.539 4.740 -0.001 0.000 0.190 117 N C 1.863 177.340 175.510 -0.056 0.000 1.024 117 N CA 1.779 54.825 53.050 -0.006 0.000 0.853 117 N CB -0.369 38.076 38.487 -0.071 0.000 1.008 117 N HN 0.612 nan 8.380 nan 0.000 0.424 118 H N 0.017 119.014 119.070 -0.122 0.000 2.357 118 H HA -0.004 4.551 4.556 -0.001 0.000 0.301 118 H C 2.225 177.536 175.328 -0.028 0.000 1.082 118 H CA 1.259 57.255 56.048 -0.087 0.000 1.342 118 H CB -0.035 29.644 29.762 -0.137 0.000 1.389 118 H HN 0.237 nan 8.280 nan 0.000 0.511 119 I N 0.167 120.768 120.570 0.052 0.000 2.208 119 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 119 I C 2.315 178.446 176.117 0.022 0.000 1.097 119 I CA 1.428 62.742 61.300 0.024 0.000 1.363 119 I CB -0.350 37.600 38.000 -0.083 0.000 1.051 119 I HN 0.248 nan 8.210 nan 0.000 0.413 120 H N -0.436 118.645 119.070 0.019 0.000 2.387 120 H HA -0.168 4.387 4.556 -0.001 0.000 0.299 120 H C 2.529 177.912 175.328 0.091 0.000 1.090 120 H CA 1.864 57.943 56.048 0.051 0.000 1.332 120 H CB -0.015 29.742 29.762 -0.008 0.000 1.386 120 H HN 0.360 nan 8.280 nan 0.000 0.516 121 S N -0.055 115.729 115.700 0.141 0.000 2.406 121 S HA -0.109 4.361 4.470 -0.001 0.000 0.228 121 S C 2.223 176.858 174.600 0.058 0.000 1.020 121 S CA 1.071 59.306 58.200 0.057 0.000 0.965 121 S CB -0.557 62.613 63.200 -0.049 0.000 0.798 121 S HN 0.170 nan 8.310 nan 0.000 0.488 122 V N 0.985 120.950 119.914 0.085 0.000 2.343 122 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 122 V C 2.229 178.406 176.094 0.138 0.000 1.051 122 V CA 1.852 64.205 62.300 0.089 0.000 1.036 122 V CB -1.201 30.693 31.823 0.119 0.000 0.654 122 V HN 0.703 nan 8.190 nan 0.000 0.451 123 W N 1.561 122.855 121.300 -0.011 0.000 2.333 123 W HA -0.275 4.384 4.660 -0.001 0.000 0.316 123 W C 2.603 179.123 176.519 0.001 0.000 1.215 123 W CA 2.506 59.846 57.345 -0.009 0.000 1.278 123 W CB -0.183 29.267 29.460 -0.017 0.000 1.154 123 W HN 0.246 nan 8.180 nan 0.000 0.486 124 K N 0.614 121.099 120.400 0.141 0.000 2.063 124 K HA -0.285 4.034 4.320 -0.001 0.000 0.208 124 K C 1.726 178.280 176.600 -0.077 0.000 1.048 124 K CA 2.338 58.638 56.287 0.021 0.000 0.928 124 K CB -0.684 31.863 32.500 0.078 0.000 0.713 124 K HN 0.039 nan 8.250 nan 0.000 0.442 125 D N 0.309 120.675 120.400 -0.056 0.000 2.149 125 D HA -0.154 4.485 4.640 -0.001 0.000 0.198 125 D C 2.005 178.229 176.300 -0.127 0.000 0.990 125 D CA 1.020 54.975 54.000 -0.076 0.000 0.839 125 D CB 0.051 40.819 40.800 -0.052 0.000 0.948 125 D HN 0.236 nan 8.370 nan 0.000 0.460 126 L N -0.045 121.064 121.223 -0.190 0.000 2.042 126 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 126 L C 2.522 179.213 176.870 -0.299 0.000 1.076 126 L CA 0.747 55.427 54.840 -0.268 0.000 0.749 126 L CB -0.437 41.385 42.059 -0.395 0.000 0.893 126 L HN 0.241 nan 8.230 nan 0.000 0.432 127 L N -0.680 120.323 121.223 -0.368 0.000 2.131 127 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 127 L C 2.243 179.017 176.870 -0.160 0.000 1.092 127 L CA 1.369 56.036 54.840 -0.288 0.000 0.759 127 L CB -0.357 41.531 42.059 -0.285 0.000 0.903 127 L HN 0.341 nan 8.230 nan 0.000 0.435 128 E N -1.308 118.815 120.200 -0.129 0.000 2.276 128 E HA -0.049 4.301 4.350 -0.001 0.000 0.193 128 E C 0.214 176.771 176.600 -0.072 0.000 0.983 128 E CA 0.093 56.444 56.400 -0.082 0.000 0.861 128 E CB 0.512 30.175 29.700 -0.062 0.000 0.817 128 E HN 0.162 nan 8.360 nan 0.000 0.485 129 D N -0.068 120.283 120.400 -0.083 0.000 2.593 129 D HA 0.054 4.693 4.640 -0.001 0.000 0.251 129 D C -0.168 176.087 176.300 -0.076 0.000 1.140 129 D CA -0.315 53.646 54.000 -0.065 0.000 0.855 129 D CB 1.538 42.304 40.800 -0.055 0.000 1.267 129 D HN -0.046 nan 8.370 nan 0.000 0.532 130 T N 0.396 114.913 114.554 -0.062 0.000 3.174 130 T HA 0.248 4.597 4.350 -0.001 0.000 0.269 130 T C 0.985 175.659 174.700 -0.043 0.000 1.017 130 T CA -0.129 61.935 62.100 -0.060 0.000 0.899 130 T CB 0.249 69.086 68.868 -0.052 0.000 1.077 130 T HN 0.151 nan 8.240 nan 0.000 0.552 131 V N 0.245 120.137 119.914 -0.036 0.000 3.137 131 V HA 0.188 4.308 4.120 -0.001 0.000 0.236 131 V C 0.948 177.034 176.094 -0.013 0.000 1.260 131 V CA 0.319 62.606 62.300 -0.021 0.000 1.244 131 V CB 0.254 32.066 31.823 -0.018 0.000 1.016 131 V HN 0.451 nan 8.190 nan 0.000 0.477 132 T N 4.054 118.598 114.554 -0.016 0.000 2.769 132 T HA 0.248 4.597 4.350 -0.001 0.000 0.293 132 T C -2.486 172.214 174.700 0.000 0.000 0.931 132 T CA -0.737 61.362 62.100 -0.002 0.000 1.139 132 T CB 0.846 69.712 68.868 -0.004 0.000 0.881 132 T HN 0.157 nan 8.240 nan 0.000 0.532 133 P HA 0.143 nan 4.420 nan 0.000 0.266 133 P C -0.238 177.065 177.300 0.004 0.000 1.195 133 P CA -0.095 63.019 63.100 0.023 0.000 0.768 133 P CB 0.343 32.099 31.700 0.092 0.000 0.838 134 I N 2.163 122.718 120.570 -0.024 0.000 2.396 134 I HA 0.153 4.322 4.170 -0.001 0.000 0.292 134 I C 0.939 177.043 176.117 -0.021 0.000 0.999 134 I CA -0.490 60.801 61.300 -0.016 0.000 1.310 134 I CB 0.720 38.701 38.000 -0.031 0.000 1.404 134 I HN 0.305 nan 8.210 nan 0.000 0.496 135 D N 4.245 124.647 120.400 0.004 0.000 2.423 135 D HA 0.150 4.789 4.640 -0.001 0.000 0.238 135 D C -0.323 175.943 176.300 -0.057 0.000 1.142 135 D CA 0.301 54.289 54.000 -0.019 0.000 0.884 135 D CB 0.789 41.595 40.800 0.010 0.000 1.199 135 D HN 0.617 nan 8.370 nan 0.000 0.438 136 T N -0.574 113.917 114.554 -0.105 0.000 2.916 136 T HA 0.600 4.950 4.350 -0.001 0.000 0.292 136 T C -0.281 174.262 174.700 -0.262 0.000 1.055 136 T CA -0.984 61.009 62.100 -0.178 0.000 1.009 136 T CB 1.514 70.301 68.868 -0.135 0.000 1.118 136 T HN 0.217 nan 8.240 nan 0.000 0.497 137 T N 2.188 116.423 114.554 -0.532 0.000 2.837 137 T HA 0.560 4.909 4.350 -0.001 0.000 0.285 137 T C -0.286 174.140 174.700 -0.458 0.000 0.984 137 T CA -0.555 61.206 62.100 -0.564 0.000 1.049 137 T CB 0.644 68.990 68.868 -0.869 0.000 0.947 137 T HN 0.717 nan 8.240 nan 0.000 0.472 138 I N 4.180 124.652 120.570 -0.164 0.000 2.354 138 I HA 0.511 4.680 4.170 -0.001 0.000 0.292 138 I C -0.911 175.234 176.117 0.047 0.000 0.989 138 I CA -0.704 60.591 61.300 -0.008 0.000 1.188 138 I CB 0.562 38.607 38.000 0.075 0.000 1.342 138 I HN 0.410 nan 8.210 nan 0.000 0.457 139 M N 6.418 126.100 119.600 0.137 0.000 2.591 139 M HA 0.532 5.011 4.480 -0.001 0.000 0.306 139 M C -0.519 175.849 176.300 0.114 0.000 1.190 139 M CA -0.661 54.727 55.300 0.148 0.000 0.889 139 M CB 1.809 34.560 32.600 0.253 0.000 1.728 139 M HN 0.606 nan 8.290 nan 0.000 0.458 140 A N 2.324 125.189 122.820 0.075 0.000 2.320 140 A HA 0.481 4.800 4.320 -0.001 0.000 0.287 140 A C -0.021 177.600 177.584 0.060 0.000 1.181 140 A CA -0.512 51.561 52.037 0.059 0.000 0.831 140 A CB 0.261 19.282 19.000 0.035 0.000 1.102 140 A HN 0.736 nan 8.150 nan 0.000 0.513 141 K N 2.030 122.467 120.400 0.061 0.000 2.326 141 K HA 0.098 4.417 4.320 -0.001 0.000 0.275 141 K C -0.660 175.944 176.600 0.006 0.000 1.018 141 K CA 0.064 56.371 56.287 0.034 0.000 0.962 141 K CB 0.575 33.100 32.500 0.042 0.000 0.953 141 K HN 0.750 nan 8.250 nan 0.000 0.475 142 N N 2.873 121.546 118.700 -0.045 0.000 2.589 142 N HA 0.084 4.823 4.740 -0.001 0.000 0.232 142 N C -1.157 174.218 175.510 -0.224 0.000 1.015 142 N CA -0.309 52.675 53.050 -0.111 0.000 0.931 142 N CB 0.866 39.285 38.487 -0.112 0.000 1.150 142 N HN 0.394 nan 8.380 nan 0.000 0.512 143 E N 0.716 120.761 120.200 -0.260 0.000 2.299 143 E HA 0.500 4.849 4.350 -0.001 0.000 0.265 143 E C -0.840 175.310 176.600 -0.750 0.000 0.911 143 E CA -1.082 55.021 56.400 -0.496 0.000 0.789 143 E CB 2.366 31.773 29.700 -0.488 0.000 1.246 143 E HN 0.043 nan 8.360 nan 0.000 0.427 144 V N 2.513 121.862 119.914 -0.941 0.000 2.435 144 V HA 0.486 4.605 4.120 -0.001 0.000 0.290 144 V C -0.869 174.626 176.094 -0.998 0.000 1.030 144 V CA -0.340 61.449 62.300 -0.852 0.000 0.881 144 V CB 0.207 31.666 31.823 -0.607 0.000 0.983 144 V HN 0.519 nan 8.190 nan 0.000 0.445 145 F N 2.207 121.811 119.950 -0.576 0.000 2.706 145 F HA 0.649 5.176 4.527 -0.001 0.000 0.328 145 F C 0.054 175.655 175.800 -0.332 0.000 1.123 145 F CA -0.765 56.963 58.000 -0.453 0.000 0.978 145 F CB 1.319 40.035 39.000 -0.472 0.000 1.404 145 F HN 0.544 nan 8.300 nan 0.000 0.497 146 C N 2.571 121.947 119.300 0.126 0.000 2.376 146 C HA 0.818 5.277 4.460 -0.001 0.000 0.335 146 C C 0.257 175.435 174.990 0.314 0.000 1.229 146 C CA -0.637 58.498 59.018 0.195 0.000 1.867 146 C CB 0.136 27.951 27.740 0.125 0.000 2.319 146 C HN 0.787 nan 8.230 nan 0.000 0.515 147 V N 4.637 124.774 119.914 0.371 0.000 3.484 147 V HA 0.390 4.509 4.120 -0.001 0.000 0.304 147 V C 0.083 176.255 176.094 0.130 0.000 1.116 147 V CA 0.435 62.894 62.300 0.265 0.000 1.187 147 V CB -0.026 31.877 31.823 0.134 0.000 1.062 147 V HN 1.382 nan 8.190 nan 0.000 0.489 155 K N 2.508 122.935 120.400 0.044 0.000 2.237 155 K HA 0.416 4.735 4.320 -0.001 0.000 0.270 155 K C -2.221 174.414 176.600 0.057 0.000 1.015 155 K CA -1.380 54.900 56.287 -0.013 0.000 0.949 155 K CB 0.747 33.145 32.500 -0.171 0.000 0.976 155 K HN 0.120 nan 8.250 nan 0.000 0.472 156 P HA 0.064 nan 4.420 nan 0.000 0.276 156 P C -0.740 176.607 177.300 0.078 0.000 1.261 156 P CA -0.580 62.547 63.100 0.046 0.000 0.800 156 P CB 0.512 32.218 31.700 0.010 0.000 1.066 157 A N 1.661 124.529 122.820 0.081 0.000 2.511 157 A HA 0.090 4.409 4.320 -0.001 0.000 0.242 157 A C 0.679 178.314 177.584 0.085 0.000 1.069 157 A CA -0.079 52.017 52.037 0.098 0.000 0.763 157 A CB -0.431 18.611 19.000 0.070 0.000 1.001 157 A HN 0.406 nan 8.150 nan 0.000 0.498 158 R N 0.433 121.003 120.500 0.117 0.000 2.694 158 R HA 0.292 4.631 4.340 -0.001 0.000 0.268 158 R C -0.893 175.464 176.300 0.095 0.000 1.061 158 R CA -0.435 55.732 56.100 0.112 0.000 1.133 158 R CB 0.151 30.534 30.300 0.139 0.000 1.020 158 R HN 0.469 nan 8.270 nan 0.000 0.475 159 L N 2.415 123.700 121.223 0.103 0.000 2.334 159 L HA 0.489 4.828 4.340 -0.001 0.000 0.276 159 L C -0.315 176.645 176.870 0.149 0.000 1.014 159 L CA -0.687 54.217 54.840 0.107 0.000 0.815 159 L CB 1.368 43.479 42.059 0.086 0.000 1.268 159 L HN 0.504 nan 8.230 nan 0.000 0.428 160 I N 2.241 122.918 120.570 0.179 0.000 2.509 160 I HA 0.649 4.818 4.170 -0.001 0.000 0.293 160 I C -1.105 175.197 176.117 0.309 0.000 1.020 160 I CA -0.364 61.080 61.300 0.240 0.000 1.088 160 I CB 1.933 40.066 38.000 0.221 0.000 1.267 160 I HN 0.216 nan 8.210 nan 0.000 0.430 161 V N 8.564 128.661 119.914 0.304 0.000 2.483 161 V HA 0.589 4.708 4.120 -0.001 0.000 0.297 161 V C -0.949 175.310 176.094 0.275 0.000 1.027 161 V CA -0.462 61.964 62.300 0.209 0.000 0.855 161 V CB 1.140 33.063 31.823 0.167 0.000 0.995 161 V HN 0.590 nan 8.190 nan 0.000 0.424 162 F N 5.212 125.208 119.950 0.076 0.000 2.608 162 F HA 0.927 5.453 4.527 -0.001 0.000 0.309 162 F C -3.088 172.749 175.800 0.060 0.000 1.103 162 F CA -2.506 55.539 58.000 0.074 0.000 0.954 162 F CB 1.778 40.817 39.000 0.065 0.000 1.267 162 F HN 0.303 nan 8.300 nan 0.000 0.444 163 P HA 0.191 nan 4.420 nan 0.000 0.282 163 P C -0.994 176.409 177.300 0.171 0.000 1.287 163 P CA -0.157 62.993 63.100 0.084 0.000 0.792 163 P CB 1.179 32.941 31.700 0.103 0.000 1.163 164 D N -0.984 119.493 120.400 0.128 0.000 2.378 164 D HA -0.051 4.588 4.640 -0.001 0.000 0.238 164 D C 1.365 177.767 176.300 0.170 0.000 1.180 164 D CA -0.234 53.855 54.000 0.149 0.000 0.895 164 D CB 0.256 41.176 40.800 0.200 0.000 1.192 164 D HN 0.132 nan 8.370 nan 0.000 0.438 165 L N 3.033 124.325 121.223 0.115 0.000 2.051 165 L HA -0.046 4.294 4.340 -0.001 0.000 0.214 165 L C 2.034 179.011 176.870 0.179 0.000 1.076 165 L CA 2.656 57.555 54.840 0.099 0.000 0.758 165 L CB -1.072 40.977 42.059 -0.017 0.000 0.890 165 L HN 0.631 nan 8.230 nan 0.000 0.433 166 G N -1.195 107.764 108.800 0.265 0.000 2.440 166 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 166 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 166 G C 1.514 176.538 174.900 0.206 0.000 1.154 166 G CA 1.074 46.359 45.100 0.308 0.000 0.767 166 G HN 0.370 nan 8.290 nan 0.000 0.552 167 V N 0.797 120.824 119.914 0.188 0.000 2.343 167 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 167 V C 2.927 179.111 176.094 0.150 0.000 1.051 167 V CA 1.939 64.330 62.300 0.151 0.000 1.036 167 V CB -0.468 31.428 31.823 0.123 0.000 0.654 167 V HN 0.340 nan 8.190 nan 0.000 0.451 168 R N -0.235 120.356 120.500 0.151 0.000 2.081 168 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 168 R C 2.235 178.599 176.300 0.107 0.000 1.131 168 R CA 1.468 57.650 56.100 0.138 0.000 0.960 168 R CB -0.677 29.696 30.300 0.122 0.000 0.856 168 R HN 0.426 nan 8.270 nan 0.000 0.436 169 V N 0.573 120.542 119.914 0.092 0.000 2.407 169 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 169 V C 2.516 178.640 176.094 0.050 0.000 1.055 169 V CA 1.544 63.867 62.300 0.039 0.000 1.049 169 V CB -0.490 31.346 31.823 0.021 0.000 0.662 169 V HN 0.450 nan 8.190 nan 0.000 0.455 170 C N -0.153 119.226 119.300 0.132 0.000 2.429 170 C HA -0.138 4.321 4.460 -0.001 0.000 0.277 170 C C 2.675 177.834 174.990 0.280 0.000 1.262 170 C CA 0.890 60.065 59.018 0.262 0.000 1.733 170 C CB -0.964 26.996 27.740 0.367 0.000 2.010 170 C HN 0.622 nan 8.230 nan 0.000 0.483 171 E N 0.885 121.211 120.200 0.209 0.000 2.070 171 E HA -0.256 4.093 4.350 -0.001 0.000 0.197 171 E C 2.131 178.844 176.600 0.188 0.000 1.004 171 E CA 1.369 57.901 56.400 0.220 0.000 0.805 171 E CB -0.176 29.666 29.700 0.237 0.000 0.744 171 E HN 0.638 nan 8.360 nan 0.000 0.451 172 K N 0.357 120.834 120.400 0.129 0.000 2.032 172 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 172 K C 2.213 178.858 176.600 0.075 0.000 1.048 172 K CA 1.526 57.869 56.287 0.094 0.000 0.927 172 K CB -0.169 32.309 32.500 -0.038 0.000 0.712 172 K HN 0.099 nan 8.250 nan 0.000 0.441 173 M N 0.265 119.867 119.600 0.004 0.000 2.082 173 M HA -0.232 4.247 4.480 -0.001 0.000 0.258 173 M C 2.398 178.729 176.300 0.052 0.000 1.069 173 M CA 1.954 57.191 55.300 -0.106 0.000 1.102 173 M CB -0.315 32.031 32.600 -0.424 0.000 1.336 173 M HN 0.288 nan 8.290 nan 0.000 0.404 174 A N -0.838 122.131 122.820 0.249 0.000 1.930 174 A HA 0.020 4.339 4.320 -0.001 0.000 0.215 174 A C 1.828 179.504 177.584 0.154 0.000 1.176 174 A CA 1.220 53.446 52.037 0.314 0.000 0.632 174 A CB -0.193 19.019 19.000 0.354 0.000 0.819 174 A HN 0.507 nan 8.150 nan 0.000 0.445 175 L N -3.192 118.107 121.223 0.127 0.000 3.039 175 L HA 0.193 4.532 4.340 -0.001 0.000 0.269 175 L C 1.808 178.706 176.870 0.048 0.000 1.169 175 L CA 0.024 54.882 54.840 0.031 0.000 0.986 175 L CB 0.142 42.195 42.059 -0.011 0.000 1.377 175 L HN 0.457 nan 8.230 nan 0.000 0.575 176 Y N 1.332 121.635 120.300 0.004 0.000 2.165 176 Y HA -0.321 4.229 4.550 -0.001 0.000 0.286 176 Y C 2.182 178.097 175.900 0.025 0.000 1.155 176 Y CA 2.270 60.380 58.100 0.017 0.000 1.164 176 Y CB 0.130 38.581 38.460 -0.015 0.000 0.978 176 Y HN 0.218 nan 8.280 nan 0.000 0.513 177 D N -0.808 119.588 120.400 -0.007 0.000 2.123 177 D HA -0.142 4.497 4.640 -0.001 0.000 0.200 177 D C 2.252 178.478 176.300 -0.123 0.000 0.976 177 D CA 1.317 55.270 54.000 -0.079 0.000 0.831 177 D CB -0.225 40.588 40.800 0.021 0.000 0.974 177 D HN 0.249 nan 8.370 nan 0.000 0.469 178 V N 0.820 120.674 119.914 -0.099 0.000 2.233 178 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 178 V C 2.760 178.751 176.094 -0.172 0.000 1.050 178 V CA 2.040 64.264 62.300 -0.126 0.000 1.010 178 V CB -0.891 30.833 31.823 -0.165 0.000 0.637 178 V HN 0.333 nan 8.190 nan 0.000 0.444 179 V N -2.402 117.391 119.914 -0.203 0.000 2.913 179 V HA -0.125 3.994 4.120 -0.001 0.000 0.260 179 V C 2.073 178.025 176.094 -0.236 0.000 1.098 179 V CA 2.220 64.401 62.300 -0.199 0.000 1.121 179 V CB -0.409 31.326 31.823 -0.147 0.000 0.714 179 V HN 0.460 nan 8.190 nan 0.000 0.487 180 S N 0.964 116.506 115.700 -0.262 0.000 2.425 180 S HA -0.034 4.435 4.470 -0.001 0.000 0.225 180 S C 1.928 176.423 174.600 -0.175 0.000 1.024 180 S CA 1.507 59.562 58.200 -0.242 0.000 0.951 180 S CB -0.036 62.940 63.200 -0.374 0.000 0.796 180 S HN 0.950 nan 8.310 nan 0.000 0.498 181 T N -0.599 113.852 114.554 -0.173 0.000 2.999 181 T HA 0.288 4.637 4.350 -0.001 0.000 0.247 181 T C 1.690 176.288 174.700 -0.170 0.000 1.012 181 T CA -0.099 61.919 62.100 -0.137 0.000 1.048 181 T CB -0.478 68.335 68.868 -0.091 0.000 1.020 181 T HN 0.213 nan 8.240 nan 0.000 0.478 182 L N 2.044 123.162 121.223 -0.175 0.000 2.046 182 L HA 0.126 4.465 4.340 -0.001 0.000 0.208 182 L C -0.900 175.805 176.870 -0.275 0.000 1.077 182 L CA 1.309 56.050 54.840 -0.165 0.000 0.747 182 L CB -0.726 41.282 42.059 -0.085 0.000 0.896 182 L HN 0.136 nan 8.230 nan 0.000 0.432 183 P HA -0.208 nan 4.420 nan 0.000 0.216 183 P C 1.330 178.196 177.300 -0.724 0.000 1.153 183 P CA 1.170 63.834 63.100 -0.727 0.000 0.848 183 P CB -0.180 30.712 31.700 -1.346 0.000 0.787 184 Q N 0.133 119.565 119.800 -0.612 0.000 2.167 184 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 184 Q C 1.925 177.806 176.000 -0.198 0.000 0.970 184 Q CA 1.402 57.044 55.803 -0.269 0.000 0.855 184 Q CB -0.647 28.031 28.738 -0.100 0.000 0.911 184 Q HN 0.074 nan 8.270 nan 0.000 0.438 185 V N 0.047 119.844 119.914 -0.195 0.000 2.379 185 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 185 V C 2.473 178.477 176.094 -0.151 0.000 1.044 185 V CA 1.323 63.542 62.300 -0.136 0.000 1.036 185 V CB -0.322 31.436 31.823 -0.108 0.000 0.664 185 V HN 0.135 nan 8.190 nan 0.000 0.453 186 V N -0.745 119.043 119.914 -0.208 0.000 2.453 186 V HA -0.150 3.969 4.120 -0.001 0.000 0.247 186 V C 1.937 177.848 176.094 -0.305 0.000 1.048 186 V CA 2.002 64.168 62.300 -0.224 0.000 1.049 186 V CB -0.362 31.319 31.823 -0.238 0.000 0.672 186 V HN 0.487 nan 8.190 nan 0.000 0.457 187 M N -1.408 117.966 119.600 -0.377 0.000 2.313 187 M HA 0.382 4.862 4.480 -0.001 0.000 0.273 187 M C 1.404 177.596 176.300 -0.179 0.000 1.049 187 M CA 0.645 55.658 55.300 -0.479 0.000 1.004 187 M CB 0.770 32.973 32.600 -0.662 0.000 1.461 187 M HN 0.407 nan 8.290 nan 0.000 0.514 188 G N 1.860 110.580 108.800 -0.132 0.000 2.614 188 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.303 188 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.303 188 G C 0.889 175.742 174.900 -0.080 0.000 1.270 188 G CA 1.031 46.088 45.100 -0.071 0.000 0.988 188 G HN 0.541 nan 8.290 nan 0.000 0.551 189 S N -0.706 114.960 115.700 -0.057 0.000 2.442 189 S HA -0.015 4.454 4.470 -0.001 0.000 0.236 189 S C 2.268 176.702 174.600 -0.277 0.000 1.007 189 S CA 2.055 60.152 58.200 -0.172 0.000 0.965 189 S CB -0.302 62.853 63.200 -0.073 0.000 0.773 189 S HN 1.119 nan 8.310 nan 0.000 0.504 190 S N 0.330 116.016 115.700 -0.023 0.000 2.469 190 S HA 0.016 4.485 4.470 -0.001 0.000 0.238 190 S C 0.363 174.973 174.600 0.017 0.000 0.998 190 S CA 0.267 58.517 58.200 0.083 0.000 0.957 190 S CB -0.525 62.838 63.200 0.271 0.000 0.764 190 S HN 0.719 nan 8.310 nan 0.000 0.514 191 Y N 3.201 123.367 120.300 -0.224 0.000 2.584 191 Y HA 0.447 4.997 4.550 -0.001 0.000 0.351 191 Y C 1.256 176.944 175.900 -0.352 0.000 1.030 191 Y CA -1.529 56.415 58.100 -0.259 0.000 1.332 191 Y CB -0.137 38.167 38.460 -0.261 0.000 1.148 191 Y HN 0.043 nan 8.280 nan 0.000 0.528 192 G N 4.387 112.769 108.800 -0.697 0.000 2.471 192 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 192 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 192 G C 1.071 175.465 174.900 -0.844 0.000 1.125 192 G CA 0.288 45.004 45.100 -0.639 0.000 0.775 192 G HN 0.632 nan 8.290 nan 0.000 0.548 193 F N 1.197 120.440 119.950 -1.178 0.000 2.661 193 F HA 0.051 4.578 4.527 -0.001 0.000 0.298 193 F C 2.842 178.396 175.800 -0.411 0.000 1.137 193 F CA 0.761 58.209 58.000 -0.920 0.000 1.454 193 F CB -0.068 38.364 39.000 -0.947 0.000 1.103 193 F HN 0.362 nan 8.300 nan 0.000 0.577 194 Q N -0.587 118.965 119.800 -0.414 0.000 2.488 194 Q HA -0.121 4.218 4.340 -0.001 0.000 0.211 194 Q C -0.665 175.228 176.000 -0.179 0.000 0.967 194 Q CA 0.910 56.582 55.803 -0.219 0.000 0.926 194 Q CB -0.397 28.113 28.738 -0.380 0.000 0.992 194 Q HN 0.290 nan 8.270 nan 0.000 0.506 195 Y N 1.503 121.822 120.300 0.032 0.000 2.360 195 Y HA 0.313 4.862 4.550 -0.001 0.000 0.337 195 Y C 0.503 176.287 175.900 -0.193 0.000 1.039 195 Y CA -1.449 56.612 58.100 -0.065 0.000 1.109 195 Y CB 1.546 39.925 38.460 -0.136 0.000 1.201 195 Y HN 0.085 nan 8.280 nan 0.000 0.458 196 S N 2.525 117.997 115.700 -0.381 0.000 2.589 196 S HA 0.142 4.612 4.470 -0.001 0.000 0.265 196 S C -1.942 172.350 174.600 -0.514 0.000 1.342 196 S CA -0.914 56.608 58.200 -1.130 0.000 1.005 196 S CB 1.042 63.745 63.200 -0.828 0.000 0.909 196 S HN 0.459 nan 8.310 nan 0.000 0.555 197 P HA -0.038 nan 4.420 nan 0.000 0.216 197 P C 1.697 178.925 177.300 -0.119 0.000 1.153 197 P CA 1.834 64.819 63.100 -0.192 0.000 0.858 197 P CB -0.553 31.064 31.700 -0.138 0.000 0.789 198 G N -0.293 108.422 108.800 -0.141 0.000 2.418 198 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 198 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 198 G C 1.532 176.374 174.900 -0.095 0.000 1.158 198 G CA 0.583 45.643 45.100 -0.068 0.000 0.771 198 G HN 0.309 nan 8.290 nan 0.000 0.545 199 Q N -0.501 119.223 119.800 -0.125 0.000 2.167 199 Q HA -0.000 4.339 4.340 -0.001 0.000 0.202 199 Q C 2.575 178.386 176.000 -0.314 0.000 0.970 199 Q CA 0.860 56.589 55.803 -0.124 0.000 0.855 199 Q CB -0.119 28.637 28.738 0.031 0.000 0.911 199 Q HN 0.449 nan 8.270 nan 0.000 0.438 200 R N 0.275 120.629 120.500 -0.242 0.000 2.075 200 R HA -0.122 4.217 4.340 -0.001 0.000 0.232 200 R C 2.050 178.232 176.300 -0.196 0.000 1.126 200 R CA 1.162 57.093 56.100 -0.283 0.000 0.963 200 R CB -0.074 30.174 30.300 -0.087 0.000 0.858 200 R HN 0.108 nan 8.270 nan 0.000 0.435 201 V N 1.324 121.157 119.914 -0.135 0.000 2.358 201 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 201 V C 2.349 178.348 176.094 -0.158 0.000 1.047 201 V CA 2.077 64.305 62.300 -0.119 0.000 1.035 201 V CB -0.511 31.282 31.823 -0.050 0.000 0.658 201 V HN 0.477 nan 8.190 nan 0.000 0.452 202 E N -0.302 119.817 120.200 -0.135 0.000 2.070 202 E HA -0.303 4.046 4.350 -0.001 0.000 0.197 202 E C 2.133 178.651 176.600 -0.138 0.000 1.004 202 E CA 1.987 58.309 56.400 -0.129 0.000 0.805 202 E CB -0.227 29.421 29.700 -0.086 0.000 0.744 202 E HN 0.552 nan 8.360 nan 0.000 0.451 203 F N 1.175 120.913 119.950 -0.353 0.000 2.146 203 F HA -0.115 4.412 4.527 -0.001 0.000 0.298 203 F C 1.983 177.647 175.800 -0.226 0.000 1.096 203 F CA 1.111 58.907 58.000 -0.340 0.000 1.275 203 F CB -0.222 38.407 39.000 -0.619 0.000 1.008 203 F HN 0.008 nan 8.300 nan 0.000 0.480 204 L N -0.775 120.299 121.223 -0.249 0.000 2.017 204 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 204 L C 2.386 179.098 176.870 -0.263 0.000 1.073 204 L CA 1.254 55.929 54.840 -0.276 0.000 0.745 204 L CB -0.823 41.120 42.059 -0.194 0.000 0.894 204 L HN 0.010 nan 8.230 nan 0.000 0.432 205 V N -0.010 119.730 119.914 -0.290 0.000 2.307 205 V HA -0.260 3.859 4.120 -0.001 0.000 0.245 205 V C 2.164 178.144 176.094 -0.189 0.000 1.045 205 V CA 1.861 63.972 62.300 -0.316 0.000 1.024 205 V CB -0.708 30.764 31.823 -0.585 0.000 0.651 205 V HN 0.482 nan 8.190 nan 0.000 0.449 206 N N 0.144 118.719 118.700 -0.209 0.000 2.223 206 N HA -0.132 4.608 4.740 -0.001 0.000 0.185 206 N C 1.878 177.271 175.510 -0.195 0.000 1.016 206 N CA 1.858 54.810 53.050 -0.163 0.000 0.863 206 N CB -0.645 37.768 38.487 -0.122 0.000 0.983 206 N HN 0.479 nan 8.380 nan 0.000 0.429 207 T N 0.352 114.707 114.554 -0.332 0.000 2.737 207 T HA -0.133 4.216 4.350 -0.001 0.000 0.265 207 T C 1.494 176.106 174.700 -0.147 0.000 1.038 207 T CA 0.594 62.493 62.100 -0.335 0.000 1.144 207 T CB -0.237 68.268 68.868 -0.605 0.000 0.866 207 T HN 0.410 nan 8.240 nan 0.000 0.434 208 W N 2.450 123.589 121.300 -0.267 0.000 2.333 208 W HA -0.148 4.510 4.660 -0.003 0.000 0.316 208 W C 1.866 178.300 176.519 -0.141 0.000 1.215 208 W CA 1.372 58.603 57.345 -0.189 0.000 1.278 208 W CB -0.217 29.129 29.460 -0.191 0.000 1.154 208 W HN 0.264 nan 8.180 nan 0.000 0.486 209 K N 0.242 120.645 120.400 0.005 0.000 2.209 209 K HA -0.152 4.167 4.320 -0.001 0.000 0.204 209 K C 2.078 178.613 176.600 -0.109 0.000 1.048 209 K CA 1.779 58.034 56.287 -0.055 0.000 0.940 209 K CB -0.387 32.100 32.500 -0.021 0.000 0.729 209 K HN 0.094 nan 8.250 nan 0.000 0.451 210 S N 0.502 116.127 115.700 -0.126 0.000 2.489 210 S HA 0.005 4.474 4.470 -0.001 0.000 0.228 210 S C 0.537 175.059 174.600 -0.131 0.000 0.995 210 S CA 0.283 58.416 58.200 -0.112 0.000 0.934 210 S CB 0.038 63.175 63.200 -0.105 0.000 0.771 210 S HN -0.022 nan 8.310 nan 0.000 0.522 211 K N 1.891 122.174 120.400 -0.194 0.000 2.174 211 K HA 0.374 4.693 4.320 -0.001 0.000 0.275 211 K C 0.502 176.986 176.600 -0.193 0.000 1.015 211 K CA -0.311 55.850 56.287 -0.210 0.000 0.933 211 K CB 1.107 33.424 32.500 -0.305 0.000 1.025 211 K HN 0.155 nan 8.250 nan 0.000 0.463 212 K N 1.009 121.324 120.400 -0.141 0.000 2.025 212 K HA -0.034 4.285 4.320 -0.001 0.000 0.207 212 K C 0.156 176.678 176.600 -0.131 0.000 1.049 212 K CA 1.130 57.351 56.287 -0.110 0.000 0.933 212 K CB 0.159 32.614 32.500 -0.076 0.000 0.714 212 K HN 0.434 nan 8.250 nan 0.000 0.438 213 N N 1.293 119.904 118.700 -0.148 0.000 2.716 213 N HA 0.193 4.932 4.740 -0.001 0.000 0.253 213 N C -2.891 172.491 175.510 -0.214 0.000 1.170 213 N CA -1.150 51.814 53.050 -0.143 0.000 0.807 213 N CB 1.583 40.023 38.487 -0.077 0.000 1.183 213 N HN 0.030 nan 8.380 nan 0.000 0.524 214 P HA 0.209 nan 4.420 nan 0.000 0.280 214 P C -0.306 176.676 177.300 -0.530 0.000 1.244 214 P CA -0.370 62.296 63.100 -0.723 0.000 0.784 214 P CB 1.478 32.193 31.700 -1.642 0.000 0.913 215 M N 2.294 121.682 119.600 -0.353 0.000 2.591 215 M HA 0.705 5.184 4.480 -0.001 0.000 0.306 215 M C -1.035 175.239 176.300 -0.044 0.000 1.190 215 M CA -0.416 54.770 55.300 -0.190 0.000 0.889 215 M CB 2.593 35.136 32.600 -0.095 0.000 1.728 215 M HN 0.593 nan 8.290 nan 0.000 0.458 216 G N 3.144 112.008 108.800 0.106 0.000 2.718 216 G HA2 0.776 4.735 3.960 -0.001 0.000 0.295 216 G HA3 0.776 4.735 3.960 -0.001 0.000 0.295 216 G C -2.029 172.970 174.900 0.165 0.000 1.421 216 G CA -0.602 44.588 45.100 0.149 0.000 0.902 216 G HN 0.821 nan 8.290 nan 0.000 0.501 217 F N -0.497 119.409 119.950 -0.073 0.000 2.693 217 F HA 0.824 5.351 4.527 0.001 0.000 0.309 217 F C -0.310 175.464 175.800 -0.044 0.000 1.129 217 F CA -1.413 56.541 58.000 -0.077 0.000 0.948 217 F CB 1.398 40.334 39.000 -0.107 0.000 1.315 217 F HN 0.663 nan 8.300 nan 0.000 0.447 218 S N 0.837 116.616 115.700 0.132 0.000 2.509 218 S HA 0.651 5.120 4.470 -0.001 0.000 0.297 218 S C -1.633 173.144 174.600 0.295 0.000 1.118 218 S CA -0.602 57.645 58.200 0.078 0.000 1.074 218 S CB 1.671 64.897 63.200 0.044 0.000 1.038 218 S HN 0.890 nan 8.310 nan 0.000 0.498 219 Y N 1.737 122.130 120.300 0.155 0.000 2.326 219 Y HA 0.448 4.996 4.550 -0.002 0.000 0.331 219 Y C -1.005 175.010 175.900 0.192 0.000 0.962 219 Y CA -0.770 57.489 58.100 0.264 0.000 1.167 219 Y CB 1.324 40.042 38.460 0.429 0.000 1.148 219 Y HN 0.869 nan 8.280 nan 0.000 0.463 220 D N 4.723 125.003 120.400 -0.201 0.000 2.443 220 D HA 0.201 4.840 4.640 -0.001 0.000 0.221 220 D C -0.716 175.432 176.300 -0.252 0.000 1.097 220 D CA -0.162 53.768 54.000 -0.116 0.000 0.865 220 D CB 0.938 41.692 40.800 -0.077 0.000 1.034 220 D HN 0.457 nan 8.370 nan 0.000 0.511 221 T N 3.728 118.306 114.554 0.041 0.000 2.888 221 T HA 0.050 4.399 4.350 -0.001 0.000 0.301 221 T C 0.518 175.306 174.700 0.147 0.000 1.001 221 T CA -0.333 61.880 62.100 0.189 0.000 1.147 221 T CB 0.540 69.747 68.868 0.565 0.000 0.931 221 T HN 0.350 nan 8.240 nan 0.000 0.541 222 R N 2.492 123.037 120.500 0.076 0.000 2.351 222 R HA 0.132 4.471 4.340 -0.001 0.000 0.318 222 R C 0.166 176.569 176.300 0.172 0.000 1.055 222 R CA -0.275 55.868 56.100 0.071 0.000 0.968 222 R CB -0.621 29.667 30.300 -0.020 0.000 0.974 222 R HN 0.911 nan 8.270 nan 0.000 0.439 223 C N 6.277 125.711 119.300 0.223 0.000 3.690 223 C HA -0.178 4.282 4.460 -0.001 0.000 0.295 223 C C 1.130 176.341 174.990 0.368 0.000 1.283 223 C CA 0.212 59.417 59.018 0.311 0.000 2.212 223 C CB -2.445 25.535 27.740 0.400 0.000 1.407 223 C HN 1.067 nan 8.230 nan 0.000 0.595 224 F N 1.597 121.670 119.950 0.205 0.000 2.154 224 F HA -0.077 4.449 4.527 -0.002 0.000 0.301 224 F C 1.777 177.691 175.800 0.191 0.000 1.087 224 F CA 2.432 60.553 58.000 0.201 0.000 1.274 224 F CB -0.050 39.057 39.000 0.177 0.000 1.009 224 F HN 0.553 nan 8.300 nan 0.000 0.485 225 D N -0.459 120.183 120.400 0.403 0.000 2.123 225 D HA -0.154 4.485 4.640 -0.001 0.000 0.196 225 D C 2.436 178.797 176.300 0.101 0.000 0.992 225 D CA 1.621 55.784 54.000 0.271 0.000 0.833 225 D CB -0.441 40.523 40.800 0.273 0.000 0.954 225 D HN 0.230 nan 8.370 nan 0.000 0.455 226 S N -0.568 115.207 115.700 0.126 0.000 2.453 226 S HA -0.094 4.375 4.470 -0.001 0.000 0.231 226 S C 2.013 176.573 174.600 -0.065 0.000 1.005 226 S CA 1.292 59.464 58.200 -0.047 0.000 0.949 226 S CB -0.168 62.971 63.200 -0.102 0.000 0.774 226 S HN 0.515 nan 8.310 nan 0.000 0.510 227 T N -0.318 114.283 114.554 0.077 0.000 3.055 227 T HA 0.105 4.454 4.350 -0.001 0.000 0.265 227 T C 0.638 175.261 174.700 -0.127 0.000 1.111 227 T CA 0.062 62.191 62.100 0.048 0.000 1.118 227 T CB -0.463 68.394 68.868 -0.018 0.000 0.909 227 T HN 0.043 nan 8.240 nan 0.000 0.501 228 V N 4.160 123.958 119.914 -0.195 0.000 2.450 228 V HA 0.281 4.400 4.120 -0.001 0.000 0.281 228 V C 1.190 177.229 176.094 -0.092 0.000 1.019 228 V CA -0.103 62.108 62.300 -0.149 0.000 1.062 228 V CB -0.276 31.502 31.823 -0.075 0.000 0.979 228 V HN 0.724 nan 8.190 nan 0.000 0.477 229 T N 0.858 115.373 114.554 -0.065 0.000 2.884 229 T HA 0.311 4.661 4.350 -0.001 0.000 0.277 229 T C 1.060 175.739 174.700 -0.034 0.000 0.976 229 T CA -0.266 61.801 62.100 -0.054 0.000 0.956 229 T CB 1.476 70.319 68.868 -0.041 0.000 1.113 229 T HN 0.663 nan 8.240 nan 0.000 0.554 230 E N 0.409 120.591 120.200 -0.030 0.000 2.085 230 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 230 E C 1.964 178.563 176.600 -0.001 0.000 0.994 230 E CA 1.631 58.026 56.400 -0.009 0.000 0.801 230 E CB -0.272 29.424 29.700 -0.007 0.000 0.743 230 E HN 0.759 nan 8.360 nan 0.000 0.453 231 N N 0.818 119.512 118.700 -0.009 0.000 2.021 231 N HA -0.242 4.498 4.740 -0.001 0.000 0.198 231 N C 1.468 176.990 175.510 0.020 0.000 1.041 231 N CA 2.467 55.516 53.050 -0.002 0.000 0.862 231 N CB -0.222 38.250 38.487 -0.025 0.000 1.048 231 N HN 0.142 nan 8.380 nan 0.000 0.427 232 D N -0.062 120.349 120.400 0.019 0.000 2.116 232 D HA -0.168 4.471 4.640 -0.001 0.000 0.193 232 D C 2.018 178.330 176.300 0.019 0.000 0.998 232 D CA 1.294 55.317 54.000 0.038 0.000 0.836 232 D CB -0.400 40.413 40.800 0.023 0.000 0.951 232 D HN 0.490 nan 8.370 nan 0.000 0.449 233 I N 0.414 120.995 120.570 0.019 0.000 2.315 233 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 233 I C 2.471 178.599 176.117 0.018 0.000 1.117 233 I CA 0.879 62.197 61.300 0.030 0.000 1.404 233 I CB -0.080 37.959 38.000 0.066 0.000 1.071 233 I HN -0.109 nan 8.210 nan 0.000 0.419 234 R N 0.023 120.533 120.500 0.018 0.000 2.115 234 R HA -0.079 4.260 4.340 -0.001 0.000 0.230 234 R C 2.315 178.600 176.300 -0.024 0.000 1.111 234 R CA 0.989 57.095 56.100 0.010 0.000 0.976 234 R CB -0.383 29.926 30.300 0.016 0.000 0.870 234 R HN 0.209 nan 8.270 nan 0.000 0.445 235 V N 1.391 121.292 119.914 -0.022 0.000 2.307 235 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 235 V C 1.937 177.942 176.094 -0.147 0.000 1.045 235 V CA 1.814 64.087 62.300 -0.044 0.000 1.024 235 V CB -0.379 31.458 31.823 0.023 0.000 0.651 235 V HN 0.333 nan 8.190 nan 0.000 0.449 236 E N -0.192 119.891 120.200 -0.195 0.000 2.070 236 E HA -0.295 4.054 4.350 -0.001 0.000 0.197 236 E C 2.308 178.447 176.600 -0.767 0.000 1.004 236 E CA 1.638 57.764 56.400 -0.458 0.000 0.805 236 E CB -0.221 29.265 29.700 -0.357 0.000 0.744 236 E HN 0.632 nan 8.360 nan 0.000 0.451 237 E N 0.505 120.484 120.200 -0.368 0.000 2.070 237 E HA -0.246 4.104 4.350 -0.001 0.000 0.197 237 E C 2.170 178.704 176.600 -0.111 0.000 1.004 237 E CA 1.751 58.066 56.400 -0.142 0.000 0.805 237 E CB -0.045 29.696 29.700 0.069 0.000 0.744 237 E HN 0.257 nan 8.360 nan 0.000 0.451 238 S N 0.126 115.763 115.700 -0.105 0.000 2.419 238 S HA -0.141 4.328 4.470 -0.001 0.000 0.233 238 S C 2.039 176.598 174.600 -0.069 0.000 1.016 238 S CA 1.023 59.190 58.200 -0.055 0.000 0.974 238 S CB -0.490 62.684 63.200 -0.042 0.000 0.786 238 S HN 0.304 nan 8.310 nan 0.000 0.492 239 I N 0.016 120.495 120.570 -0.152 0.000 2.233 239 I HA -0.104 4.066 4.170 -0.001 0.000 0.243 239 I C 2.319 178.426 176.117 -0.016 0.000 1.093 239 I CA 1.196 62.422 61.300 -0.123 0.000 1.380 239 I CB -0.559 37.321 38.000 -0.201 0.000 1.067 239 I HN 0.201 nan 8.210 nan 0.000 0.413 240 Y N 1.291 121.585 120.300 -0.010 0.000 2.151 240 Y HA -0.267 4.282 4.550 -0.001 0.000 0.284 240 Y C 2.666 178.569 175.900 0.005 0.000 1.166 240 Y CA 0.877 58.975 58.100 -0.003 0.000 1.163 240 Y CB -1.126 37.347 38.460 0.021 0.000 0.974 240 Y HN 0.262 nan 8.280 nan 0.000 0.511 241 Q N -1.219 118.675 119.800 0.155 0.000 2.436 241 Q HA -0.098 4.241 4.340 -0.001 0.000 0.209 241 Q C 2.269 178.302 176.000 0.055 0.000 0.965 241 Q CA 0.969 56.829 55.803 0.095 0.000 0.910 241 Q CB -0.697 28.083 28.738 0.070 0.000 0.980 241 Q HN 0.544 nan 8.270 nan 0.000 0.491 242 C N 0.232 119.556 119.300 0.041 0.000 2.432 242 C HA -0.037 4.422 4.460 -0.001 0.000 0.282 242 C C 1.643 176.649 174.990 0.026 0.000 1.388 242 C CA -0.745 58.286 59.018 0.022 0.000 1.777 242 C CB -0.920 26.823 27.740 0.004 0.000 1.882 242 C HN 0.395 nan 8.230 nan 0.000 0.520 243 C N 1.959 121.283 119.300 0.041 0.000 2.700 243 C HA 0.171 4.630 4.460 -0.001 0.000 0.397 243 C C 0.610 175.617 174.990 0.028 0.000 1.301 243 C CA -0.263 58.773 59.018 0.030 0.000 2.219 243 C CB -0.207 27.554 27.740 0.035 0.000 2.699 243 C HN 0.514 nan 8.230 nan 0.000 0.669 244 D N 1.484 121.897 120.400 0.020 0.000 2.336 244 D HA 0.436 5.075 4.640 -0.001 0.000 0.249 244 D C -0.707 175.610 176.300 0.027 0.000 1.213 244 D CA 0.306 54.319 54.000 0.021 0.000 0.870 244 D CB 0.107 40.915 40.800 0.014 0.000 1.076 244 D HN 0.404 nan 8.370 nan 0.000 0.483 245 L N 2.245 123.488 121.223 0.035 0.000 2.354 245 L HA 0.624 4.963 4.340 -0.001 0.000 0.264 245 L C 0.414 177.313 176.870 0.048 0.000 1.008 245 L CA -1.410 53.456 54.840 0.045 0.000 0.819 245 L CB 1.883 43.975 42.059 0.055 0.000 1.339 245 L HN 0.397 nan 8.230 nan 0.000 0.420 246 A N 2.438 125.293 122.820 0.058 0.000 2.531 246 A HA 0.260 4.579 4.320 -0.001 0.000 0.236 246 A C -1.780 175.847 177.584 0.072 0.000 1.062 246 A CA -0.672 51.405 52.037 0.066 0.000 0.760 246 A CB -0.220 18.830 19.000 0.083 0.000 0.995 246 A HN 0.635 nan 8.150 nan 0.000 0.501 247 P HA -0.191 nan 4.420 nan 0.000 0.215 247 P C 1.152 178.488 177.300 0.059 0.000 1.157 247 P CA 1.727 64.857 63.100 0.051 0.000 0.874 247 P CB 0.112 31.836 31.700 0.041 0.000 0.790 248 E N -0.634 119.626 120.200 0.099 0.000 2.118 248 E HA -0.198 4.152 4.350 -0.001 0.000 0.195 248 E C 2.072 178.757 176.600 0.141 0.000 0.992 248 E CA 1.274 57.752 56.400 0.130 0.000 0.804 248 E CB -0.540 29.348 29.700 0.313 0.000 0.741 248 E HN 0.164 nan 8.360 nan 0.000 0.458 249 A N 1.656 124.597 122.820 0.202 0.000 1.877 249 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 249 A C 2.065 179.702 177.584 0.089 0.000 1.186 249 A CA 1.333 53.483 52.037 0.188 0.000 0.620 249 A CB -0.428 18.673 19.000 0.169 0.000 0.822 249 A HN 0.108 nan 8.150 nan 0.000 0.443 250 R N -1.048 119.490 120.500 0.064 0.000 2.083 250 R HA -0.214 4.125 4.340 -0.001 0.000 0.237 250 R C 2.491 178.796 176.300 0.008 0.000 1.137 250 R CA 1.799 57.926 56.100 0.044 0.000 0.951 250 R CB -0.379 29.942 30.300 0.035 0.000 0.851 250 R HN 0.670 nan 8.270 nan 0.000 0.434 251 Q N 0.773 120.556 119.800 -0.028 0.000 2.046 251 Q HA -0.078 4.261 4.340 -0.001 0.000 0.200 251 Q C 2.025 177.936 176.000 -0.148 0.000 0.975 251 Q CA 1.946 57.700 55.803 -0.082 0.000 0.836 251 Q CB -0.264 28.413 28.738 -0.101 0.000 0.896 251 Q HN 0.339 nan 8.270 nan 0.000 0.428 252 A N 0.240 122.923 122.820 -0.229 0.000 1.908 252 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 252 A C 2.127 179.639 177.584 -0.120 0.000 1.181 252 A CA 1.640 53.484 52.037 -0.321 0.000 0.627 252 A CB -0.806 17.860 19.000 -0.556 0.000 0.818 252 A HN 0.504 nan 8.150 nan 0.000 0.445 253 I N -0.651 119.912 120.570 -0.011 0.000 2.252 253 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 253 I C 2.537 178.699 176.117 0.074 0.000 1.102 253 I CA 1.749 63.096 61.300 0.078 0.000 1.385 253 I CB -0.225 37.850 38.000 0.125 0.000 1.064 253 I HN 0.384 nan 8.210 nan 0.000 0.414 254 K N 0.464 120.882 120.400 0.030 0.000 2.057 254 K HA -0.208 4.111 4.320 -0.001 0.000 0.207 254 K C 2.333 178.918 176.600 -0.025 0.000 1.049 254 K CA 1.812 58.110 56.287 0.019 0.000 0.931 254 K CB -0.072 32.428 32.500 -0.001 0.000 0.714 254 K HN 0.120 nan 8.250 nan 0.000 0.440 255 S N 0.610 116.263 115.700 -0.077 0.000 2.371 255 S HA -0.017 4.452 4.470 -0.001 0.000 0.224 255 S C 1.936 176.446 174.600 -0.151 0.000 1.029 255 S CA 0.761 58.893 58.200 -0.113 0.000 0.978 255 S CB -0.148 62.956 63.200 -0.161 0.000 0.833 255 S HN 0.323 nan 8.310 nan 0.000 0.466 256 L N 0.812 121.915 121.223 -0.201 0.000 2.083 256 L HA -0.096 4.243 4.340 -0.001 0.000 0.209 256 L C 2.706 179.272 176.870 -0.506 0.000 1.083 256 L CA 1.424 56.012 54.840 -0.420 0.000 0.752 256 L CB -1.022 40.743 42.059 -0.490 0.000 0.899 256 L HN 0.321 nan 8.230 nan 0.000 0.433 257 T N -0.762 113.713 114.554 -0.132 0.000 2.652 257 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 257 T C 1.769 176.480 174.700 0.018 0.000 1.039 257 T CA 1.385 63.543 62.100 0.096 0.000 1.153 257 T CB -0.130 68.856 68.868 0.196 0.000 0.863 257 T HN 0.330 nan 8.240 nan 0.000 0.428 258 E N 0.873 121.062 120.200 -0.018 0.000 2.107 258 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 258 E C 2.359 178.941 176.600 -0.030 0.000 0.982 258 E CA 0.842 57.235 56.400 -0.012 0.000 0.809 258 E CB -0.096 29.594 29.700 -0.017 0.000 0.756 258 E HN 0.471 nan 8.360 nan 0.000 0.459 259 R N -0.555 119.897 120.500 -0.080 0.000 2.237 259 R HA 0.111 4.450 4.340 -0.001 0.000 0.195 259 R C 1.760 178.001 176.300 -0.099 0.000 0.956 259 R CA 0.250 56.304 56.100 -0.077 0.000 1.029 259 R CB 0.309 30.556 30.300 -0.089 0.000 0.972 259 R HN 0.035 nan 8.270 nan 0.000 0.493 260 L N -2.132 118.991 121.223 -0.167 0.000 2.775 260 L HA 0.192 4.531 4.340 -0.001 0.000 0.175 260 L C 1.293 178.147 176.870 -0.027 0.000 1.110 260 L CA 0.828 55.569 54.840 -0.165 0.000 0.862 260 L CB -0.446 41.407 42.059 -0.343 0.000 1.381 260 L HN -0.134 nan 8.230 nan 0.000 0.499 261 Y N 0.481 120.799 120.300 0.030 0.000 2.181 261 Y HA -0.088 4.461 4.550 -0.001 0.000 0.288 261 Y C 2.616 178.523 175.900 0.013 0.000 1.146 261 Y CA 1.590 59.716 58.100 0.042 0.000 1.164 261 Y CB -0.910 37.601 38.460 0.085 0.000 0.982 261 Y HN 0.139 nan 8.280 nan 0.000 0.515 262 I N -1.052 119.609 120.570 0.152 0.000 2.493 262 I HA -0.015 4.154 4.170 -0.001 0.000 0.254 262 I C 1.127 177.249 176.117 0.009 0.000 1.160 262 I CA 1.227 62.570 61.300 0.072 0.000 1.445 262 I CB -0.244 37.791 38.000 0.058 0.000 1.086 262 I HN 0.290 nan 8.210 nan 0.000 0.433 263 G N -1.022 107.763 108.800 -0.026 0.000 2.321 263 G HA2 0.480 4.440 3.960 -0.001 0.000 0.298 263 G HA3 0.480 4.440 3.960 -0.001 0.000 0.298 263 G C -1.027 173.717 174.900 -0.260 0.000 1.385 263 G CA -0.160 44.853 45.100 -0.145 0.000 0.856 263 G HN 0.369 nan 8.290 nan 0.000 0.584 264 G N -0.618 107.737 108.800 -0.742 0.000 2.328 264 G HA2 0.702 4.661 3.960 -0.001 0.000 0.299 264 G HA3 0.702 4.661 3.960 -0.001 0.000 0.299 264 G C -3.462 170.825 174.900 -1.021 0.000 1.435 264 G CA 0.050 44.692 45.100 -0.764 0.000 0.865 264 G HN 0.771 nan 8.290 nan 0.000 0.601 265 P HA 0.447 nan 4.420 nan 0.000 0.275 265 P C -0.564 176.653 177.300 -0.138 0.000 1.228 265 P CA -0.157 62.847 63.100 -0.161 0.000 0.786 265 P CB 1.284 33.020 31.700 0.060 0.000 0.927 266 L N 2.297 123.485 121.223 -0.059 0.000 2.313 266 L HA 0.456 4.795 4.340 -0.001 0.000 0.283 266 L C 0.419 177.300 176.870 0.018 0.000 1.013 266 L CA -0.247 54.583 54.840 -0.018 0.000 0.816 266 L CB 1.760 43.851 42.059 0.053 0.000 1.236 266 L HN 0.279 nan 8.230 nan 0.000 0.419 267 T N 1.448 115.989 114.554 -0.022 0.000 2.824 267 T HA 0.335 4.684 4.350 -0.001 0.000 0.282 267 T C -0.218 174.463 174.700 -0.032 0.000 0.993 267 T CA -0.820 61.268 62.100 -0.020 0.000 0.967 267 T CB 1.514 70.354 68.868 -0.047 0.000 0.960 267 T HN 0.648 nan 8.240 nan 0.000 0.441 268 N N 0.703 119.400 118.700 -0.004 0.000 2.379 268 N HA 0.125 4.864 4.740 -0.001 0.000 0.260 268 N C 1.455 176.953 175.510 -0.020 0.000 1.254 268 N CA -0.288 52.758 53.050 -0.006 0.000 0.958 268 N CB 0.191 38.685 38.487 0.012 0.000 1.208 268 N HN 0.452 nan 8.380 nan 0.000 0.532 269 S N -0.940 114.756 115.700 -0.005 0.000 2.465 269 S HA -0.143 4.327 4.470 -0.001 0.000 0.241 269 S C 0.860 175.454 174.600 -0.009 0.000 1.000 269 S CA 0.813 59.013 58.200 -0.001 0.000 0.964 269 S CB -0.482 62.731 63.200 0.022 0.000 0.763 269 S HN 0.666 nan 8.310 nan 0.000 0.512 270 K N 0.540 120.936 120.400 -0.006 0.000 2.374 270 K HA 0.332 4.651 4.320 -0.001 0.000 0.196 270 K C 1.146 177.740 176.600 -0.011 0.000 1.023 270 K CA 0.317 56.600 56.287 -0.006 0.000 1.103 270 K CB 0.126 32.626 32.500 0.001 0.000 0.848 270 K HN 0.495 nan 8.250 nan 0.000 0.528 271 G N 1.910 110.700 108.800 -0.018 0.000 2.141 271 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.242 271 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.242 271 G C -0.310 174.588 174.900 -0.002 0.000 0.982 271 G CA -0.127 44.962 45.100 -0.019 0.000 0.662 271 G HN 0.365 nan 8.290 nan 0.000 0.527 272 Q N 0.185 119.989 119.800 0.006 0.000 2.243 272 Q HA 0.313 4.653 4.340 -0.001 0.000 0.252 272 Q C 0.371 176.391 176.000 0.033 0.000 0.909 272 Q CA -0.625 55.190 55.803 0.021 0.000 0.922 272 Q CB 1.102 29.854 28.738 0.024 0.000 1.215 272 Q HN 0.400 nan 8.270 nan 0.000 0.427 273 N N 1.883 120.609 118.700 0.043 0.000 2.434 273 N HA -0.045 4.694 4.740 -0.001 0.000 0.268 273 N C -0.133 175.433 175.510 0.094 0.000 1.256 273 N CA -0.328 52.760 53.050 0.064 0.000 0.914 273 N CB 0.511 39.039 38.487 0.067 0.000 1.088 273 N HN 0.633 nan 8.380 nan 0.000 0.478 274 C N 3.088 122.461 119.300 0.123 0.000 2.563 274 C HA 0.331 4.791 4.460 -0.001 0.000 0.268 274 C C 1.289 176.463 174.990 0.307 0.000 1.365 274 C CA 0.583 59.728 59.018 0.211 0.000 1.754 274 C CB -1.286 26.604 27.740 0.250 0.000 1.932 274 C HN 0.975 nan 8.230 nan 0.000 0.536 275 G N -1.439 107.473 108.800 0.187 0.000 2.291 275 G HA2 0.229 4.189 3.960 -0.001 0.000 0.249 275 G HA3 0.229 4.189 3.960 -0.001 0.000 0.249 275 G C -2.006 172.942 174.900 0.080 0.000 1.340 275 G CA -0.467 44.705 45.100 0.119 0.000 1.017 275 G HN 0.041 nan 8.290 nan 0.000 0.470 276 Y N 0.666 120.861 120.300 -0.174 0.000 2.470 276 Y HA 0.753 5.302 4.550 -0.001 0.000 0.341 276 Y C 0.011 175.783 175.900 -0.213 0.000 1.021 276 Y CA -0.815 57.195 58.100 -0.150 0.000 1.025 276 Y CB 1.985 40.370 38.460 -0.125 0.000 1.266 276 Y HN 0.720 nan 8.280 nan 0.000 0.448 277 R N 4.787 125.025 120.500 -0.436 0.000 2.393 277 R HA 0.559 4.898 4.340 -0.001 0.000 0.310 277 R C -0.755 175.330 176.300 -0.357 0.000 0.968 277 R CA -0.583 55.258 56.100 -0.432 0.000 0.867 277 R CB 0.897 31.015 30.300 -0.303 0.000 1.124 277 R HN 0.908 nan 8.270 nan 0.000 0.450 278 R N 3.368 123.658 120.500 -0.349 0.000 2.690 278 R HA 0.217 4.557 4.340 -0.001 0.000 0.419 278 R C -0.601 175.550 176.300 -0.247 0.000 1.090 278 R CA -0.323 55.663 56.100 -0.189 0.000 1.064 278 R CB 0.454 30.687 30.300 -0.112 0.000 1.391 278 R HN 0.779 nan 8.270 nan 0.000 0.586 279 C N -1.878 117.227 119.300 -0.326 0.000 3.336 279 C HA 0.611 5.070 4.460 -0.001 0.000 0.352 279 C C -0.352 174.556 174.990 -0.137 0.000 1.567 279 C CA -1.534 57.328 59.018 -0.259 0.000 1.328 279 C CB 1.352 28.856 27.740 -0.392 0.000 1.922 279 C HN 0.383 nan 8.230 nan 0.000 0.439 280 R N 1.326 121.799 120.500 -0.045 0.000 2.502 280 R HA 0.463 4.803 4.340 -0.001 0.000 0.292 280 R C 0.189 176.539 176.300 0.083 0.000 0.998 280 R CA 0.977 57.108 56.100 0.051 0.000 1.056 280 R CB -0.201 30.171 30.300 0.121 0.000 0.939 280 R HN 1.247 nan 8.270 nan 0.000 0.411 281 A N 3.683 126.569 122.820 0.109 0.000 2.409 281 A HA 0.214 4.533 4.320 -0.001 0.000 0.262 281 A C 0.925 178.612 177.584 0.171 0.000 1.113 281 A CA 0.153 52.280 52.037 0.150 0.000 0.790 281 A CB 0.345 19.447 19.000 0.169 0.000 1.046 281 A HN 1.004 nan 8.150 nan 0.000 0.496 282 S N 1.891 117.707 115.700 0.194 0.000 2.527 282 S HA 0.144 4.613 4.470 -0.001 0.000 0.222 282 S C 1.016 175.724 174.600 0.179 0.000 0.985 282 S CA 0.562 58.874 58.200 0.186 0.000 0.921 282 S CB 0.165 63.482 63.200 0.196 0.000 0.772 282 S HN 1.264 nan 8.310 nan 0.000 0.529 283 G N 1.967 110.897 108.800 0.217 0.000 4.804 283 G HA2 0.533 4.492 3.960 -0.001 0.000 0.310 283 G HA3 0.533 4.492 3.960 -0.001 0.000 0.310 283 G C -0.231 174.812 174.900 0.238 0.000 1.389 283 G CA -0.163 45.074 45.100 0.228 0.000 1.106 283 G HN 0.578 nan 8.290 nan 0.000 0.595 284 V N -2.328 117.705 119.914 0.199 0.000 3.126 284 V HA 0.602 4.722 4.120 -0.001 0.000 0.314 284 V C 1.327 177.512 176.094 0.150 0.000 1.138 284 V CA -0.937 61.497 62.300 0.223 0.000 1.034 284 V CB 1.671 33.700 31.823 0.343 0.000 1.075 284 V HN 0.088 nan 8.190 nan 0.000 0.442 285 L N 2.286 123.610 121.223 0.168 0.000 2.042 285 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 285 L C 2.390 179.284 176.870 0.040 0.000 1.076 285 L CA 3.163 58.083 54.840 0.133 0.000 0.749 285 L CB -0.722 41.437 42.059 0.168 0.000 0.893 285 L HN 1.101 nan 8.230 nan 0.000 0.432 286 T N -5.446 109.045 114.554 -0.105 0.000 3.194 286 T HA -0.019 4.330 4.350 -0.001 0.000 0.251 286 T C 1.559 176.207 174.700 -0.087 0.000 1.132 286 T CA 0.745 62.738 62.100 -0.179 0.000 1.028 286 T CB -0.817 67.776 68.868 -0.458 0.000 0.976 286 T HN 0.304 nan 8.240 nan 0.000 0.535 287 T N 2.115 116.656 114.554 -0.022 0.000 2.607 287 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 287 T C 2.225 176.956 174.700 0.052 0.000 1.049 287 T CA 1.942 64.067 62.100 0.041 0.000 1.162 287 T CB -0.678 68.240 68.868 0.083 0.000 0.863 287 T HN 0.586 nan 8.240 nan 0.000 0.424 288 S N -0.340 115.370 115.700 0.016 0.000 2.377 288 S HA -0.113 4.356 4.470 -0.001 0.000 0.223 288 S C 2.438 177.064 174.600 0.043 0.000 1.030 288 S CA 1.235 59.436 58.200 0.003 0.000 0.970 288 S CB -0.928 62.180 63.200 -0.154 0.000 0.830 288 S HN 0.659 nan 8.310 nan 0.000 0.473 289 C N 1.407 120.707 119.300 -0.000 0.000 2.432 289 C HA 0.129 4.588 4.460 -0.001 0.000 0.277 289 C C 2.846 177.887 174.990 0.086 0.000 1.249 289 C CA 1.127 60.162 59.018 0.027 0.000 1.725 289 C CB -1.793 25.931 27.740 -0.027 0.000 2.028 289 C HN 0.710 nan 8.230 nan 0.000 0.477 290 G N 0.377 109.238 108.800 0.102 0.000 2.422 290 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 290 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 290 G C 1.526 176.520 174.900 0.157 0.000 1.146 290 G CA 1.029 46.198 45.100 0.115 0.000 0.769 290 G HN 0.589 nan 8.290 nan 0.000 0.547 291 N N 0.416 119.218 118.700 0.171 0.000 2.142 291 N HA -0.071 4.668 4.740 -0.001 0.000 0.186 291 N C 2.443 178.016 175.510 0.104 0.000 1.023 291 N CA 1.602 54.776 53.050 0.206 0.000 0.852 291 N CB -0.712 37.813 38.487 0.064 0.000 0.998 291 N HN 0.232 nan 8.380 nan 0.000 0.424 292 T N 1.714 116.333 114.554 0.109 0.000 2.708 292 T HA -0.028 4.321 4.350 -0.001 0.000 0.266 292 T C 2.124 176.913 174.700 0.148 0.000 1.037 292 T CA 0.755 62.938 62.100 0.138 0.000 1.146 292 T CB -0.336 68.680 68.868 0.246 0.000 0.865 292 T HN 0.128 nan 8.240 nan 0.000 0.435 293 L N 0.603 121.889 121.223 0.105 0.000 2.017 293 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 293 L C 2.939 179.908 176.870 0.164 0.000 1.073 293 L CA 1.276 56.164 54.840 0.080 0.000 0.745 293 L CB -0.997 41.063 42.059 0.001 0.000 0.894 293 L HN 0.278 nan 8.230 nan 0.000 0.432 294 T N -1.533 113.140 114.554 0.199 0.000 2.857 294 T HA -0.194 4.155 4.350 -0.001 0.000 0.266 294 T C 2.003 176.907 174.700 0.339 0.000 1.048 294 T CA 1.264 63.512 62.100 0.247 0.000 1.139 294 T CB -0.357 68.681 68.868 0.283 0.000 0.874 294 T HN 0.453 nan 8.240 nan 0.000 0.455 295 C N 0.656 120.203 119.300 0.412 0.000 2.453 295 C HA -0.075 4.384 4.460 -0.001 0.000 0.277 295 C C 2.363 177.508 174.990 0.257 0.000 1.262 295 C CA 0.461 59.702 59.018 0.371 0.000 1.718 295 C CB -1.382 26.437 27.740 0.131 0.000 2.031 295 C HN 0.651 nan 8.230 nan 0.000 0.480 296 Y N 1.100 121.464 120.300 0.105 0.000 2.128 296 Y HA -0.159 4.391 4.550 -0.001 0.000 0.284 296 Y C 2.186 178.107 175.900 0.035 0.000 1.154 296 Y CA 2.211 60.351 58.100 0.066 0.000 1.149 296 Y CB -0.590 37.893 38.460 0.039 0.000 0.976 296 Y HN 0.358 nan 8.280 nan 0.000 0.505 297 L N 1.014 122.323 121.223 0.145 0.000 1.976 297 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 297 L C 2.147 178.939 176.870 -0.131 0.000 1.071 297 L CA 2.053 56.864 54.840 -0.050 0.000 0.746 297 L CB -1.008 41.001 42.059 -0.085 0.000 0.890 297 L HN 0.153 nan 8.230 nan 0.000 0.432 298 K N -0.327 120.065 120.400 -0.013 0.000 2.032 298 K HA -0.150 4.169 4.320 -0.001 0.000 0.209 298 K C 2.073 178.696 176.600 0.037 0.000 1.048 298 K CA 1.637 57.934 56.287 0.016 0.000 0.927 298 K CB -0.529 32.068 32.500 0.162 0.000 0.712 298 K HN 0.517 nan 8.250 nan 0.000 0.441 299 A N 0.994 123.827 122.820 0.022 0.000 1.930 299 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 299 A C 2.216 179.811 177.584 0.018 0.000 1.175 299 A CA 1.669 53.736 52.037 0.049 0.000 0.627 299 A CB -0.461 18.651 19.000 0.188 0.000 0.815 299 A HN 0.178 nan 8.150 nan 0.000 0.443 300 S N 0.058 115.652 115.700 -0.177 0.000 2.368 300 S HA -0.066 4.404 4.470 -0.001 0.000 0.225 300 S C 2.262 176.809 174.600 -0.089 0.000 1.030 300 S CA 1.226 59.292 58.200 -0.222 0.000 0.999 300 S CB -0.418 62.507 63.200 -0.459 0.000 0.844 300 S HN 0.788 nan 8.310 nan 0.000 0.459 301 A N 1.248 124.035 122.820 -0.055 0.000 1.969 301 A HA 0.250 4.570 4.320 -0.001 0.000 0.218 301 A C 2.266 179.923 177.584 0.121 0.000 1.169 301 A CA 1.442 53.513 52.037 0.056 0.000 0.635 301 A CB -0.808 18.233 19.000 0.067 0.000 0.810 301 A HN 0.504 nan 8.150 nan 0.000 0.445 302 A N -1.340 121.536 122.820 0.095 0.000 2.066 302 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 302 A C 2.153 179.738 177.584 0.003 0.000 1.157 302 A CA 1.325 53.279 52.037 -0.138 0.000 0.670 302 A CB -1.008 17.542 19.000 -0.750 0.000 0.804 302 A HN 0.566 nan 8.150 nan 0.000 0.453 303 C N -0.637 118.764 119.300 0.168 0.000 2.446 303 C HA -0.062 4.398 4.460 -0.001 0.000 0.277 303 C C 2.847 177.854 174.990 0.029 0.000 1.275 303 C CA 1.036 60.191 59.018 0.229 0.000 1.727 303 C CB -1.179 26.658 27.740 0.162 0.000 2.010 303 C HN 0.629 nan 8.230 nan 0.000 0.486 304 R N 1.256 121.682 120.500 -0.124 0.000 2.092 304 R HA -0.062 4.277 4.340 -0.001 0.000 0.231 304 R C 2.373 178.438 176.300 -0.392 0.000 1.119 304 R CA 1.511 57.408 56.100 -0.338 0.000 0.970 304 R CB -0.520 29.399 30.300 -0.635 0.000 0.864 304 R HN 0.533 nan 8.270 nan 0.000 0.440 305 A N 1.652 124.298 122.820 -0.290 0.000 1.877 305 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 305 A C 2.373 179.953 177.584 -0.006 0.000 1.186 305 A CA 1.650 53.654 52.037 -0.055 0.000 0.620 305 A CB -0.642 18.367 19.000 0.015 0.000 0.822 305 A HN 0.380 nan 8.150 nan 0.000 0.443 306 A N -0.944 121.889 122.820 0.022 0.000 2.172 306 A HA 0.070 4.390 4.320 -0.001 0.000 0.216 306 A C 1.118 178.728 177.584 0.043 0.000 1.154 306 A CA 1.317 53.395 52.037 0.068 0.000 0.701 306 A CB -0.550 18.561 19.000 0.185 0.000 0.789 306 A HN 0.595 nan 8.150 nan 0.000 0.465 307 K N -1.876 118.534 120.400 0.015 0.000 3.071 307 K HA -0.157 4.162 4.320 -0.001 0.000 0.265 307 K C -0.913 175.698 176.600 0.019 0.000 1.060 307 K CA 0.352 56.645 56.287 0.009 0.000 0.767 307 K CB -2.010 30.499 32.500 0.015 0.000 1.241 307 K HN 0.303 nan 8.250 nan 0.000 0.486 308 L N 1.718 122.962 121.223 0.035 0.000 2.416 308 L HA 0.079 4.419 4.340 -0.001 0.000 0.272 308 L C 0.838 177.716 176.870 0.014 0.000 1.161 308 L CA 0.649 55.510 54.840 0.035 0.000 0.845 308 L CB 0.643 42.741 42.059 0.065 0.000 1.119 308 L HN 0.101 nan 8.230 nan 0.000 0.464 309 Q N 2.286 122.087 119.800 0.002 0.000 2.257 309 Q HA 0.174 4.513 4.340 -0.001 0.000 0.255 309 Q C -0.128 175.860 176.000 -0.020 0.000 0.920 309 Q CA -0.424 55.374 55.803 -0.009 0.000 0.927 309 Q CB 0.976 29.706 28.738 -0.012 0.000 1.229 309 Q HN 0.545 nan 8.270 nan 0.000 0.433 310 D N 0.737 121.126 120.400 -0.018 0.000 2.705 310 D HA -0.167 4.472 4.640 -0.001 0.000 0.240 310 D C -1.083 175.196 176.300 -0.035 0.000 1.137 310 D CA 0.181 54.165 54.000 -0.026 0.000 0.677 310 D CB -0.994 39.783 40.800 -0.038 0.000 1.049 310 D HN 0.564 nan 8.370 nan 0.000 0.427 311 C N 0.695 119.981 119.300 -0.023 0.000 2.637 311 C HA 0.520 4.980 4.460 -0.001 0.000 0.418 311 C C 1.016 175.994 174.990 -0.020 0.000 1.319 311 C CA -0.238 58.761 59.018 -0.032 0.000 1.949 311 C CB 0.657 28.386 27.740 -0.018 0.000 2.639 311 C HN 0.461 nan 8.230 nan 0.000 0.594 312 T N 4.981 119.513 114.554 -0.035 0.000 2.812 312 T HA 0.494 4.844 4.350 -0.001 0.000 0.282 312 T C -0.295 174.415 174.700 0.016 0.000 0.990 312 T CA -0.242 61.868 62.100 0.018 0.000 0.960 312 T CB 0.965 69.821 68.868 -0.021 0.000 0.948 312 T HN 0.537 nan 8.240 nan 0.000 0.438 313 M N 2.882 122.538 119.600 0.094 0.000 2.528 313 M HA 0.653 5.133 4.480 -0.001 0.000 0.318 313 M C -1.199 175.214 176.300 0.187 0.000 1.195 313 M CA -1.056 54.290 55.300 0.077 0.000 1.000 313 M CB 1.688 34.321 32.600 0.055 0.000 1.615 313 M HN 0.323 nan 8.290 nan 0.000 0.469 314 L N 2.380 123.672 121.223 0.115 0.000 2.441 314 L HA 0.627 4.967 4.340 -0.001 0.000 0.270 314 L C -1.589 175.291 176.870 0.017 0.000 0.973 314 L CA -0.419 54.492 54.840 0.118 0.000 0.842 314 L CB 1.852 44.009 42.059 0.164 0.000 1.239 314 L HN 0.447 nan 8.230 nan 0.000 0.406 315 V N 4.188 124.097 119.914 -0.007 0.000 2.487 315 V HA 0.590 4.710 4.120 -0.001 0.000 0.298 315 V C -0.738 175.210 176.094 -0.244 0.000 1.028 315 V CA -0.616 61.660 62.300 -0.039 0.000 0.860 315 V CB 1.951 33.851 31.823 0.128 0.000 0.991 315 V HN 0.781 nan 8.190 nan 0.000 0.427 316 N N 3.626 122.132 118.700 -0.324 0.000 2.664 316 N HA 0.609 5.349 4.740 -0.001 0.000 0.257 316 N C 0.527 175.950 175.510 -0.144 0.000 1.108 316 N CA 0.587 53.253 53.050 -0.639 0.000 0.822 316 N CB 1.696 39.616 38.487 -0.944 0.000 1.199 316 N HN 1.078 nan 8.380 nan 0.000 0.529 317 G N 2.373 111.234 108.800 0.102 0.000 2.611 317 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.301 317 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.301 317 G C 0.608 175.355 174.900 -0.254 0.000 1.233 317 G CA 0.769 45.877 45.100 0.014 0.000 0.993 317 G HN 0.618 nan 8.290 nan 0.000 0.553 318 D N 1.177 121.308 120.400 -0.450 0.000 2.378 318 D HA 0.070 4.710 4.640 -0.001 0.000 0.227 318 D C 0.552 176.704 176.300 -0.246 0.000 1.012 318 D CA 1.109 54.653 54.000 -0.760 0.000 0.905 318 D CB -0.128 40.219 40.800 -0.755 0.000 0.895 318 D HN 0.447 nan 8.370 nan 0.000 0.532 319 D N 0.339 120.658 120.400 -0.135 0.000 2.249 319 D HA 0.309 4.948 4.640 -0.001 0.000 0.246 319 D C -1.036 175.243 176.300 -0.036 0.000 1.114 319 D CA -0.614 53.354 54.000 -0.053 0.000 0.854 319 D CB 1.100 41.861 40.800 -0.065 0.000 1.132 319 D HN 0.058 nan 8.370 nan 0.000 0.461 320 L N 5.156 126.398 121.223 0.032 0.000 2.409 320 L HA 0.493 4.832 4.340 -0.001 0.000 0.272 320 L C -1.752 175.105 176.870 -0.022 0.000 0.980 320 L CA -0.710 54.155 54.840 0.040 0.000 0.826 320 L CB 1.871 44.023 42.059 0.155 0.000 1.268 320 L HN 0.150 nan 8.230 nan 0.000 0.407 321 V N 6.093 125.952 119.914 -0.091 0.000 2.588 321 V HA 0.766 4.885 4.120 -0.001 0.000 0.304 321 V C -1.274 174.645 176.094 -0.292 0.000 1.042 321 V CA -0.366 61.816 62.300 -0.197 0.000 0.877 321 V CB 2.276 34.023 31.823 -0.127 0.000 0.996 321 V HN 0.595 nan 8.190 nan 0.000 0.425 322 V N 7.789 127.341 119.914 -0.604 0.000 2.495 322 V HA 0.585 4.705 4.120 -0.001 0.000 0.298 322 V C -0.310 175.524 176.094 -0.434 0.000 1.031 322 V CA -0.468 61.478 62.300 -0.590 0.000 0.871 322 V CB 1.789 33.026 31.823 -0.976 0.000 0.988 322 V HN 0.750 nan 8.190 nan 0.000 0.432 323 I N 5.095 125.538 120.570 -0.213 0.000 2.418 323 I HA 0.650 4.819 4.170 -0.001 0.000 0.287 323 I C -0.034 176.010 176.117 -0.121 0.000 1.008 323 I CA -0.293 60.939 61.300 -0.114 0.000 1.104 323 I CB 1.600 39.578 38.000 -0.036 0.000 1.264 323 I HN 0.890 nan 8.210 nan 0.000 0.438 324 C N 2.791 122.025 119.300 -0.111 0.000 3.336 324 C HA 0.589 5.048 4.460 -0.001 0.000 0.352 324 C C -0.534 174.387 174.990 -0.115 0.000 1.567 324 C CA -0.847 58.117 59.018 -0.090 0.000 1.328 324 C CB 1.879 29.601 27.740 -0.029 0.000 1.922 324 C HN 0.616 nan 8.230 nan 0.000 0.439 325 E N 1.803 121.956 120.200 -0.078 0.000 2.259 325 E HA 0.303 4.653 4.350 -0.001 0.000 0.281 325 E C -0.076 176.502 176.600 -0.037 0.000 1.037 325 E CA 0.474 56.827 56.400 -0.078 0.000 0.854 325 E CB 1.698 31.361 29.700 -0.060 0.000 1.051 325 E HN 0.712 nan 8.360 nan 0.000 0.409 326 S N 1.774 117.458 115.700 -0.027 0.000 2.548 326 S HA 0.290 4.759 4.470 -0.001 0.000 0.277 326 S C 0.517 175.133 174.600 0.027 0.000 1.315 326 S CA -0.108 58.120 58.200 0.047 0.000 1.050 326 S CB 0.666 63.943 63.200 0.128 0.000 0.918 326 S HN 0.508 nan 8.310 nan 0.000 0.497 327 A N 3.873 126.717 122.820 0.040 0.000 2.415 327 A HA 0.614 4.933 4.320 -0.001 0.000 0.248 327 A C 1.086 178.678 177.584 0.013 0.000 1.299 327 A CA 0.203 52.250 52.037 0.018 0.000 0.899 327 A CB -1.259 17.750 19.000 0.016 0.000 0.997 327 A HN 1.931 nan 8.150 nan 0.000 0.506 328 G N -1.675 107.134 108.800 0.014 0.000 2.758 328 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.686 328 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.686 328 G C 0.568 175.475 174.900 0.011 0.000 1.389 328 G CA -0.434 44.651 45.100 -0.026 0.000 0.845 328 G HN 0.884 nan 8.290 nan 0.000 0.572 329 V N 0.154 120.040 119.914 -0.046 0.000 2.332 329 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 329 V C 2.831 178.963 176.094 0.064 0.000 1.055 329 V CA 2.623 64.938 62.300 0.024 0.000 1.038 329 V CB -0.729 31.057 31.823 -0.061 0.000 0.651 329 V HN 0.734 nan 8.190 nan 0.000 0.450 330 Q N 0.065 119.877 119.800 0.020 0.000 2.083 330 Q HA -0.171 4.169 4.340 -0.001 0.000 0.198 330 Q C 2.307 178.319 176.000 0.019 0.000 0.969 330 Q CA 1.652 57.466 55.803 0.018 0.000 0.838 330 Q CB -0.358 28.382 28.738 0.004 0.000 0.900 330 Q HN 0.695 nan 8.270 nan 0.000 0.436 331 E N 1.296 121.507 120.200 0.018 0.000 2.106 331 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 331 E C 1.303 177.914 176.600 0.018 0.000 0.984 331 E CA 1.049 57.458 56.400 0.015 0.000 0.806 331 E CB -0.050 29.657 29.700 0.012 0.000 0.750 331 E HN 0.201 nan 8.360 nan 0.000 0.458 332 D N -0.164 120.261 120.400 0.042 0.000 2.117 332 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 332 D C 1.724 178.013 176.300 -0.017 0.000 0.987 332 D CA 1.579 55.599 54.000 0.033 0.000 0.829 332 D CB -0.443 40.430 40.800 0.122 0.000 0.961 332 D HN 0.304 nan 8.370 nan 0.000 0.460 333 A N 0.896 123.721 122.820 0.008 0.000 1.933 333 A HA -0.020 4.299 4.320 -0.001 0.000 0.218 333 A C 2.296 179.863 177.584 -0.029 0.000 1.175 333 A CA 2.099 54.124 52.037 -0.019 0.000 0.628 333 A CB -0.626 18.378 19.000 0.007 0.000 0.814 333 A HN 0.235 nan 8.150 nan 0.000 0.444 334 A N -0.587 122.226 122.820 -0.012 0.000 1.898 334 A HA -0.048 4.271 4.320 -0.001 0.000 0.216 334 A C 2.428 180.004 177.584 -0.012 0.000 1.181 334 A CA 1.948 53.980 52.037 -0.009 0.000 0.620 334 A CB -0.922 18.077 19.000 -0.001 0.000 0.819 334 A HN 0.435 nan 8.150 nan 0.000 0.442 335 S N 0.166 115.856 115.700 -0.017 0.000 2.365 335 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 335 S C 1.781 176.365 174.600 -0.027 0.000 1.039 335 S CA 1.678 59.870 58.200 -0.014 0.000 1.033 335 S CB -0.509 62.678 63.200 -0.023 0.000 0.887 335 S HN 0.529 nan 8.310 nan 0.000 0.447 336 L N 0.582 121.734 121.223 -0.119 0.000 2.201 336 L HA -0.031 4.308 4.340 -0.001 0.000 0.212 336 L C 2.559 179.423 176.870 -0.011 0.000 1.105 336 L CA 1.096 55.822 54.840 -0.190 0.000 0.775 336 L CB -0.594 41.227 42.059 -0.396 0.000 0.913 336 L HN 0.256 nan 8.230 nan 0.000 0.440 337 R N -0.322 120.174 120.500 -0.007 0.000 2.115 337 R HA -0.064 4.276 4.340 -0.001 0.000 0.226 337 R C 2.296 178.612 176.300 0.027 0.000 1.100 337 R CA 0.774 56.885 56.100 0.020 0.000 0.980 337 R CB -0.204 30.098 30.300 0.003 0.000 0.875 337 R HN 0.170 nan 8.270 nan 0.000 0.445 338 V N 0.606 120.535 119.914 0.025 0.000 2.379 338 V HA -0.221 3.898 4.120 -0.001 0.000 0.245 338 V C 1.878 177.981 176.094 0.014 0.000 1.044 338 V CA 1.516 63.823 62.300 0.012 0.000 1.036 338 V CB -0.550 31.282 31.823 0.014 0.000 0.664 338 V HN 0.187 nan 8.190 nan 0.000 0.453 339 F N 1.657 121.557 119.950 -0.083 0.000 2.087 339 F HA -0.289 4.236 4.527 -0.002 0.000 0.299 339 F C 2.444 178.177 175.800 -0.111 0.000 1.100 339 F CA 2.529 60.473 58.000 -0.093 0.000 1.226 339 F CB -0.579 38.359 39.000 -0.103 0.000 0.983 339 F HN 0.124 nan 8.300 nan 0.000 0.479 340 T N -0.418 114.193 114.554 0.096 0.000 2.821 340 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 340 T C 1.720 176.398 174.700 -0.036 0.000 1.046 340 T CA 1.530 63.692 62.100 0.103 0.000 1.139 340 T CB -0.299 68.717 68.868 0.246 0.000 0.871 340 T HN 0.350 nan 8.240 nan 0.000 0.454 341 E N 0.913 121.073 120.200 -0.066 0.000 2.058 341 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 341 E C 2.487 178.951 176.600 -0.227 0.000 0.997 341 E CA 1.145 57.481 56.400 -0.108 0.000 0.801 341 E CB -0.206 29.444 29.700 -0.082 0.000 0.746 341 E HN 0.477 nan 8.360 nan 0.000 0.450 342 A N 0.910 123.532 122.820 -0.330 0.000 1.855 342 A HA -0.195 4.124 4.320 -0.001 0.000 0.215 342 A C 2.128 179.255 177.584 -0.762 0.000 1.191 342 A CA 1.362 53.046 52.037 -0.590 0.000 0.613 342 A CB -0.388 18.305 19.000 -0.512 0.000 0.829 342 A HN 0.141 nan 8.150 nan 0.000 0.442 343 M N -0.010 119.256 119.600 -0.557 0.000 2.143 343 M HA -0.147 4.332 4.480 -0.001 0.000 0.258 343 M C 2.118 178.343 176.300 -0.125 0.000 1.071 343 M CA 2.160 57.269 55.300 -0.319 0.000 1.088 343 M CB -1.995 30.331 32.600 -0.456 0.000 1.360 343 M HN 0.472 nan 8.290 nan 0.000 0.404 344 T N -0.284 114.191 114.554 -0.131 0.000 2.857 344 T HA -0.054 4.296 4.350 -0.001 0.000 0.266 344 T C 1.968 176.615 174.700 -0.089 0.000 1.048 344 T CA 0.901 62.968 62.100 -0.055 0.000 1.139 344 T CB -0.115 68.730 68.868 -0.038 0.000 0.874 344 T HN 0.386 nan 8.240 nan 0.000 0.455 345 R N 0.146 120.530 120.500 -0.194 0.000 2.120 345 R HA -0.051 4.289 4.340 -0.001 0.000 0.234 345 R C 1.845 178.108 176.300 -0.062 0.000 1.123 345 R CA 1.095 57.092 56.100 -0.171 0.000 0.975 345 R CB -0.317 29.816 30.300 -0.279 0.000 0.866 345 R HN 0.412 nan 8.270 nan 0.000 0.446 346 Y N 0.473 120.720 120.300 -0.087 0.000 2.632 346 Y HA -0.009 4.541 4.550 -0.000 0.000 0.301 346 Y C 0.980 176.835 175.900 -0.075 0.000 1.172 346 Y CA 0.199 58.239 58.100 -0.099 0.000 1.328 346 Y CB -0.427 37.998 38.460 -0.059 0.000 1.016 346 Y HN 0.040 nan 8.280 nan 0.000 0.529 347 S N -0.457 115.289 115.700 0.076 0.000 3.963 347 S HA -0.036 4.433 4.470 -0.001 0.000 0.438 347 S C -0.252 174.376 174.600 0.046 0.000 0.879 347 S CA 0.383 58.611 58.200 0.047 0.000 1.262 347 S CB -1.495 61.724 63.200 0.031 0.000 0.850 347 S HN 0.910 nan 8.310 nan 0.000 0.570 348 A N 2.040 124.907 122.820 0.078 0.000 3.399 348 A HA 0.612 4.931 4.320 -0.001 0.000 0.262 348 A C -2.373 175.354 177.584 0.238 0.000 1.145 348 A CA -0.499 51.621 52.037 0.139 0.000 0.916 348 A CB 0.929 20.041 19.000 0.188 0.000 1.360 348 A HN 0.473 nan 8.150 nan 0.000 0.628 349 P HA 0.424 nan 4.420 nan 0.000 0.274 349 P C -2.923 174.445 177.300 0.113 0.000 1.246 349 P CA -1.148 62.031 63.100 0.132 0.000 0.795 349 P CB 0.524 32.224 31.700 -0.000 0.000 1.006 350 P HA 0.190 nan 4.420 nan 0.000 0.283 350 P C 0.645 177.870 177.300 -0.125 0.000 1.271 350 P CA -0.187 62.778 63.100 -0.225 0.000 0.841 350 P CB 0.931 32.396 31.700 -0.392 0.000 1.122 351 G N 0.556 109.279 108.800 -0.129 0.000 2.670 351 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.215 351 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.215 351 G C -0.279 174.574 174.900 -0.079 0.000 1.359 351 G CA 0.182 45.238 45.100 -0.074 0.000 0.897 351 G HN 0.483 nan 8.290 nan 0.000 0.552 352 D N 2.493 122.843 120.400 -0.083 0.000 2.351 352 D HA 0.314 4.953 4.640 -0.001 0.000 0.251 352 D C -2.159 174.086 176.300 -0.091 0.000 1.137 352 D CA -1.081 52.879 54.000 -0.066 0.000 0.879 352 D CB 1.282 42.054 40.800 -0.046 0.000 1.181 352 D HN 0.097 nan 8.370 nan 0.000 0.448 353 P HA 0.181 nan 4.420 nan 0.000 0.275 353 P C -2.475 174.820 177.300 -0.009 0.000 1.227 353 P CA -1.246 61.837 63.100 -0.027 0.000 0.781 353 P CB -0.125 31.573 31.700 -0.003 0.000 0.906 354 P HA 0.103 nan 4.420 nan 0.000 0.271 354 P C -0.605 176.672 177.300 -0.038 0.000 1.218 354 P CA 0.256 63.383 63.100 0.045 0.000 0.780 354 P CB 0.609 32.359 31.700 0.084 0.000 0.901 355 Q N 2.146 121.942 119.800 -0.007 0.000 2.353 355 Q HA 0.437 4.776 4.340 -0.001 0.000 0.268 355 Q C -2.458 173.520 176.000 -0.037 0.000 1.045 355 Q CA -2.206 53.580 55.803 -0.030 0.000 0.811 355 Q CB 1.561 30.300 28.738 0.001 0.000 1.305 355 Q HN 0.336 nan 8.270 nan 0.000 0.447 356 P HA 0.155 nan 4.420 nan 0.000 0.271 356 P C -0.450 176.683 177.300 -0.278 0.000 1.216 356 P CA 0.004 62.993 63.100 -0.186 0.000 0.771 356 P CB 0.909 32.502 31.700 -0.179 0.000 0.864 357 E N 1.917 121.914 120.200 -0.339 0.000 2.256 357 E HA 0.258 4.607 4.350 -0.001 0.000 0.267 357 E C -0.532 175.858 176.600 -0.350 0.000 0.892 357 E CA -0.397 55.853 56.400 -0.249 0.000 0.775 357 E CB 1.510 31.178 29.700 -0.052 0.000 1.207 357 E HN 0.434 nan 8.360 nan 0.000 0.420 358 Y N -0.372 120.086 120.300 0.262 0.000 2.588 358 Y HA 0.190 4.739 4.550 -0.002 0.000 0.247 358 Y C 0.167 176.327 175.900 0.434 0.000 1.157 358 Y CA -0.476 57.847 58.100 0.372 0.000 1.215 358 Y CB 1.083 39.653 38.460 0.183 0.000 1.245 358 Y HN 0.239 nan 8.280 nan 0.000 0.534 359 D N 0.482 121.031 120.400 0.247 0.000 2.696 359 D HA 0.130 4.770 4.640 -0.001 0.000 0.251 359 D C 0.439 176.497 176.300 -0.403 0.000 1.188 359 D CA -0.375 53.623 54.000 -0.004 0.000 0.876 359 D CB 1.984 42.802 40.800 0.030 0.000 1.334 359 D HN 0.130 nan 8.370 nan 0.000 0.540 360 L N 4.294 124.983 121.223 -0.890 0.000 2.093 360 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 360 L C 1.603 178.160 176.870 -0.522 0.000 1.085 360 L CA 1.821 55.986 54.840 -1.126 0.000 0.755 360 L CB -0.316 40.824 42.059 -1.533 0.000 0.904 360 L HN 0.501 nan 8.230 nan 0.000 0.435 361 E N -0.422 119.571 120.200 -0.344 0.000 2.333 361 E HA -0.178 4.171 4.350 -0.001 0.000 0.198 361 E C 1.823 178.333 176.600 -0.151 0.000 1.007 361 E CA 1.020 57.299 56.400 -0.201 0.000 0.845 361 E CB -0.209 29.415 29.700 -0.127 0.000 0.766 361 E HN 0.557 nan 8.360 nan 0.000 0.507 362 L N 0.719 121.851 121.223 -0.151 0.000 2.607 362 L HA 0.210 4.549 4.340 -0.001 0.000 0.228 362 L C 0.573 177.386 176.870 -0.094 0.000 1.123 362 L CA -0.254 54.530 54.840 -0.092 0.000 0.890 362 L CB 0.236 42.263 42.059 -0.053 0.000 1.103 362 L HN 0.013 nan 8.230 nan 0.000 0.468 363 I N 0.197 120.681 120.570 -0.143 0.000 2.352 363 I HA 0.091 4.260 4.170 -0.001 0.000 0.290 363 I C 0.129 176.193 176.117 -0.088 0.000 1.036 363 I CA 0.345 61.578 61.300 -0.111 0.000 1.336 363 I CB 1.123 39.036 38.000 -0.145 0.000 1.407 363 I HN -0.081 nan 8.210 nan 0.000 0.497 364 T N 5.135 119.658 114.554 -0.052 0.000 2.779 364 T HA 0.535 4.884 4.350 -0.001 0.000 0.280 364 T C -0.395 174.291 174.700 -0.023 0.000 0.987 364 T CA -0.623 61.455 62.100 -0.035 0.000 0.966 364 T CB 1.083 69.936 68.868 -0.025 0.000 0.933 364 T HN 0.737 nan 8.240 nan 0.000 0.442 365 S N 0.832 116.521 115.700 -0.019 0.000 2.543 365 S HA 0.401 4.870 4.470 -0.001 0.000 0.271 365 S C 0.019 174.620 174.600 0.001 0.000 1.148 365 S CA -0.819 57.372 58.200 -0.016 0.000 0.914 365 S CB 0.415 63.590 63.200 -0.041 0.000 1.096 365 S HN 0.928 nan 8.310 nan 0.000 0.471 366 C N 2.038 121.341 119.300 0.006 0.000 4.365 366 C HA -0.164 4.295 4.460 -0.001 0.000 0.299 366 C C 1.425 176.468 174.990 0.088 0.000 1.409 366 C CA 0.754 59.797 59.018 0.041 0.000 2.007 366 C CB -3.266 24.486 27.740 0.019 0.000 1.264 366 C HN 1.761 nan 8.230 nan 0.000 0.777 367 S N -1.570 114.164 115.700 0.057 0.000 3.380 367 S HA -0.194 4.275 4.470 -0.001 0.000 0.300 367 S C 0.318 174.943 174.600 0.041 0.000 1.255 367 S CA 1.289 59.515 58.200 0.043 0.000 0.963 367 S CB -0.753 62.480 63.200 0.054 0.000 1.106 367 S HN 1.017 nan 8.310 nan 0.000 0.629 368 S N 1.590 117.328 115.700 0.064 0.000 2.634 368 S HA 0.780 5.249 4.470 -0.001 0.000 0.296 368 S C -0.348 174.267 174.600 0.026 0.000 1.104 368 S CA -0.884 57.371 58.200 0.092 0.000 0.920 368 S CB 1.863 65.198 63.200 0.225 0.000 1.111 368 S HN 0.610 nan 8.310 nan 0.000 0.493 369 N N -0.805 117.899 118.700 0.007 0.000 2.494 369 N HA 0.435 5.174 4.740 -0.001 0.000 0.270 369 N C -1.615 173.834 175.510 -0.102 0.000 1.285 369 N CA -0.594 52.419 53.050 -0.062 0.000 0.812 369 N CB 1.152 39.594 38.487 -0.075 0.000 1.557 369 N HN 0.335 nan 8.380 nan 0.000 0.487 370 V N 0.577 120.401 119.914 -0.150 0.000 2.649 370 V HA 0.412 4.531 4.120 -0.001 0.000 0.292 370 V C 0.473 176.436 176.094 -0.219 0.000 1.055 370 V CA 0.096 62.287 62.300 -0.183 0.000 1.023 370 V CB 1.022 32.742 31.823 -0.173 0.000 0.992 370 V HN 0.859 nan 8.190 nan 0.000 0.480 371 S N 2.862 118.340 115.700 -0.369 0.000 2.794 371 S HA 0.769 5.238 4.470 -0.001 0.000 0.299 371 S C -1.414 173.044 174.600 -0.238 0.000 1.179 371 S CA -0.464 57.544 58.200 -0.321 0.000 0.838 371 S CB 2.036 65.007 63.200 -0.383 0.000 1.206 371 S HN 0.665 nan 8.310 nan 0.000 0.523 372 V N 1.242 121.128 119.914 -0.046 0.000 2.656 372 V HA 0.946 5.065 4.120 -0.001 0.000 0.307 372 V C -0.093 176.013 176.094 0.020 0.000 1.051 372 V CA 0.283 62.511 62.300 -0.119 0.000 0.893 372 V CB 0.997 32.572 31.823 -0.412 0.000 0.999 372 V HN 1.275 nan 8.190 nan 0.000 0.426 373 A N 5.250 127.953 122.820 -0.196 0.000 2.548 373 A HA 0.875 5.194 4.320 -0.001 0.000 0.262 373 A C -0.986 176.138 177.584 -0.767 0.000 1.271 373 A CA -0.597 51.149 52.037 -0.486 0.000 0.839 373 A CB 1.573 20.043 19.000 -0.883 0.000 1.381 373 A HN 0.915 nan 8.150 nan 0.000 0.468 374 H N 0.381 119.131 119.070 -0.533 0.000 2.600 374 H HA 0.349 4.904 4.556 -0.001 0.000 0.357 374 H C -1.131 173.999 175.328 -0.332 0.000 1.106 374 H CA -0.511 55.272 56.048 -0.442 0.000 1.193 374 H CB 1.737 31.169 29.762 -0.549 0.000 1.594 374 H HN 0.895 nan 8.280 nan 0.000 0.526 375 D N 1.001 121.366 120.400 -0.059 0.000 2.414 375 D HA 0.130 4.769 4.640 -0.001 0.000 0.251 375 D C 1.398 177.805 176.300 0.179 0.000 1.252 375 D CA -0.210 53.814 54.000 0.039 0.000 0.999 375 D CB 0.479 41.281 40.800 0.003 0.000 1.093 375 D HN 0.471 nan 8.370 nan 0.000 0.515 376 A N 0.233 123.132 122.820 0.131 0.000 1.915 376 A HA -0.245 4.075 4.320 -0.001 0.000 0.220 376 A C 2.128 179.768 177.584 0.093 0.000 1.198 376 A CA 2.536 54.628 52.037 0.092 0.000 0.647 376 A CB -1.289 17.738 19.000 0.046 0.000 0.825 376 A HN 0.543 nan 8.150 nan 0.000 0.456 377 S N -1.644 114.103 115.700 0.078 0.000 2.547 377 S HA 0.284 4.753 4.470 -0.001 0.000 0.235 377 S C 1.540 176.189 174.600 0.081 0.000 0.980 377 S CA 1.180 59.417 58.200 0.063 0.000 0.941 377 S CB -0.259 62.967 63.200 0.044 0.000 0.763 377 S HN 1.818 nan 8.310 nan 0.000 0.532 378 G N 1.654 110.534 108.800 0.133 0.000 2.176 378 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.253 378 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.253 378 G C 0.074 175.075 174.900 0.169 0.000 0.979 378 G CA 0.346 45.523 45.100 0.128 0.000 0.641 378 G HN 0.564 nan 8.290 nan 0.000 0.530 379 K N 0.884 121.341 120.400 0.095 0.000 2.326 379 K HA 0.431 4.750 4.320 -0.001 0.000 0.275 379 K C 0.818 177.375 176.600 -0.073 0.000 1.018 379 K CA -0.682 55.628 56.287 0.038 0.000 0.962 379 K CB 0.287 32.791 32.500 0.007 0.000 0.953 379 K HN 0.279 nan 8.250 nan 0.000 0.475 380 R N 2.173 122.567 120.500 -0.177 0.000 2.458 380 R HA 0.072 4.412 4.340 -0.001 0.000 0.303 380 R C -0.797 175.284 176.300 -0.366 0.000 1.013 380 R CA -0.156 55.667 56.100 -0.462 0.000 1.026 380 R CB 0.551 30.597 30.300 -0.423 0.000 0.948 380 R HN 0.281 nan 8.270 nan 0.000 0.417 381 V N 5.534 125.196 119.914 -0.420 0.000 2.444 381 V HA 0.212 4.332 4.120 -0.001 0.000 0.294 381 V C -0.747 175.230 176.094 -0.196 0.000 1.022 381 V CA -0.870 61.294 62.300 -0.228 0.000 0.850 381 V CB 1.079 32.809 31.823 -0.155 0.000 0.992 381 V HN 0.575 nan 8.190 nan 0.000 0.426 382 Y N 5.686 125.983 120.300 -0.003 0.000 2.319 382 Y HA 0.549 5.098 4.550 -0.002 0.000 0.328 382 Y C 0.122 176.083 175.900 0.103 0.000 1.133 382 Y CA -0.050 58.058 58.100 0.014 0.000 1.265 382 Y CB 0.745 39.167 38.460 -0.063 0.000 1.218 382 Y HN 0.731 nan 8.280 nan 0.000 0.508 383 Y N 0.527 120.875 120.300 0.079 0.000 2.644 383 Y HA 0.693 5.243 4.550 -0.001 0.000 0.338 383 Y C -2.024 173.922 175.900 0.077 0.000 1.119 383 Y CA -2.198 55.930 58.100 0.047 0.000 1.060 383 Y CB 0.626 39.084 38.460 -0.002 0.000 1.294 383 Y HN 0.429 nan 8.280 nan 0.000 0.472 384 L N 1.990 123.251 121.223 0.063 0.000 2.292 384 L HA 0.699 5.038 4.340 -0.001 0.000 0.284 384 L C 0.100 177.110 176.870 0.233 0.000 1.065 384 L CA 0.465 55.335 54.840 0.050 0.000 0.806 384 L CB 1.296 43.424 42.059 0.114 0.000 1.175 384 L HN 1.028 nan 8.230 nan 0.000 0.431 385 T N 4.316 118.960 114.554 0.150 0.000 2.831 385 T HA 0.872 5.222 4.350 -0.001 0.000 0.287 385 T C -1.105 173.711 174.700 0.194 0.000 1.070 385 T CA -0.646 61.643 62.100 0.315 0.000 1.010 385 T CB 1.151 70.170 68.868 0.252 0.000 1.264 385 T HN 0.806 nan 8.240 nan 0.000 0.532 386 R N 0.467 121.033 120.500 0.110 0.000 2.733 386 R HA 0.474 4.813 4.340 -0.001 0.000 0.272 386 R C -1.402 174.744 176.300 -0.258 0.000 1.029 386 R CA -1.025 55.002 56.100 -0.122 0.000 0.888 386 R CB 0.431 30.552 30.300 -0.299 0.000 1.251 386 R HN 0.528 nan 8.270 nan 0.000 0.464 387 D N 1.860 122.104 120.400 -0.261 0.000 2.487 387 D HA 0.032 4.671 4.640 -0.001 0.000 0.243 387 D C -1.405 174.541 176.300 -0.590 0.000 1.154 387 D CA -1.100 52.706 54.000 -0.324 0.000 0.876 387 D CB 1.208 41.891 40.800 -0.195 0.000 1.161 387 D HN 0.353 nan 8.370 nan 0.000 0.478 388 P HA 0.042 nan 4.420 nan 0.000 0.257 388 P C 1.034 178.004 177.300 -0.549 0.000 1.281 388 P CA 0.035 62.470 63.100 -1.108 0.000 0.826 388 P CB 0.355 31.270 31.700 -1.308 0.000 1.237 389 T N -0.395 113.959 114.554 -0.334 0.000 2.674 389 T HA -0.112 4.237 4.350 -0.001 0.000 0.265 389 T C 1.755 176.384 174.700 -0.118 0.000 1.039 389 T CA 2.219 64.220 62.100 -0.166 0.000 1.150 389 T CB -1.015 67.798 68.868 -0.091 0.000 0.864 389 T HN 0.183 nan 8.240 nan 0.000 0.427 390 T N 2.306 116.789 114.554 -0.117 0.000 2.674 390 T HA -0.053 4.296 4.350 -0.001 0.000 0.265 390 T C -0.554 174.092 174.700 -0.091 0.000 1.039 390 T CA 1.177 63.233 62.100 -0.072 0.000 1.150 390 T CB -1.284 67.570 68.868 -0.024 0.000 0.864 390 T HN 0.308 nan 8.240 nan 0.000 0.427 391 P HA -0.080 nan 4.420 nan 0.000 0.218 391 P C 1.495 178.810 177.300 0.026 0.000 1.154 391 P CA 1.122 64.184 63.100 -0.064 0.000 0.872 391 P CB -0.190 31.373 31.700 -0.229 0.000 0.790 392 L N -1.819 119.380 121.223 -0.040 0.000 2.131 392 L HA -0.061 4.278 4.340 -0.001 0.000 0.206 392 L C 2.491 179.405 176.870 0.074 0.000 1.087 392 L CA 1.221 56.077 54.840 0.028 0.000 0.767 392 L CB -1.076 40.963 42.059 -0.034 0.000 0.917 392 L HN -0.061 nan 8.230 nan 0.000 0.441 393 A N 0.501 123.350 122.820 0.049 0.000 1.883 393 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 393 A C 2.366 180.028 177.584 0.131 0.000 1.186 393 A CA 1.672 53.761 52.037 0.086 0.000 0.624 393 A CB -0.501 18.523 19.000 0.040 0.000 0.822 393 A HN 0.312 nan 8.150 nan 0.000 0.444 394 R N -0.623 119.924 120.500 0.078 0.000 2.081 394 R HA -0.077 4.263 4.340 -0.001 0.000 0.235 394 R C 2.495 178.960 176.300 0.275 0.000 1.131 394 R CA 1.193 57.361 56.100 0.114 0.000 0.960 394 R CB -0.517 29.792 30.300 0.015 0.000 0.856 394 R HN 0.521 nan 8.270 nan 0.000 0.436 395 A N 1.353 124.361 122.820 0.314 0.000 1.908 395 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 395 A C 2.382 180.234 177.584 0.447 0.000 1.181 395 A CA 1.826 54.181 52.037 0.529 0.000 0.627 395 A CB -0.684 18.659 19.000 0.572 0.000 0.818 395 A HN 0.419 nan 8.150 nan 0.000 0.445 396 A N -1.510 121.469 122.820 0.265 0.000 1.902 396 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 396 A C 2.097 179.803 177.584 0.204 0.000 1.181 396 A CA 1.380 53.524 52.037 0.178 0.000 0.623 396 A CB -0.811 18.273 19.000 0.141 0.000 0.818 396 A HN 0.837 nan 8.150 nan 0.000 0.443 397 W N 0.902 122.260 121.300 0.096 0.000 2.379 397 W HA -0.125 4.534 4.660 -0.001 0.000 0.307 397 W C 1.697 178.275 176.519 0.100 0.000 1.200 397 W CA 1.889 59.273 57.345 0.066 0.000 1.297 397 W CB -0.293 29.187 29.460 0.033 0.000 1.140 397 W HN 0.541 nan 8.180 nan 0.000 0.507 398 E N -0.769 119.711 120.200 0.468 0.000 2.347 398 E HA -0.127 4.223 4.350 -0.001 0.000 0.196 398 E C 1.947 178.772 176.600 0.375 0.000 1.008 398 E CA 1.425 58.084 56.400 0.432 0.000 0.852 398 E CB -0.146 29.854 29.700 0.500 0.000 0.783 398 E HN 0.068 nan 8.360 nan 0.000 0.505 399 T N 0.381 115.141 114.554 0.343 0.000 2.833 399 T HA -0.130 4.219 4.350 -0.001 0.000 0.269 399 T C 1.695 176.416 174.700 0.036 0.000 1.054 399 T CA 1.321 63.540 62.100 0.198 0.000 1.135 399 T CB 0.020 68.998 68.868 0.185 0.000 0.869 399 T HN 0.214 nan 8.240 nan 0.000 0.466 400 A N 0.042 122.836 122.820 -0.043 0.000 2.343 400 A HA 0.362 4.681 4.320 -0.001 0.000 0.223 400 A C 0.783 178.245 177.584 -0.204 0.000 1.214 400 A CA -0.179 51.764 52.037 -0.156 0.000 0.900 400 A CB 0.535 19.392 19.000 -0.239 0.000 0.942 400 A HN 0.102 nan 8.150 nan 0.000 0.507 401 R N 0.218 120.634 120.500 -0.140 0.000 2.548 401 R HA 0.302 4.641 4.340 -0.001 0.000 0.280 401 R C -1.694 174.592 176.300 -0.024 0.000 1.061 401 R CA -0.487 55.542 56.100 -0.117 0.000 0.915 401 R CB 0.865 31.174 30.300 0.016 0.000 1.210 401 R HN 0.538 nan 8.270 nan 0.000 0.442 402 H N 0.887 120.028 119.070 0.119 0.000 2.803 402 H HA 0.199 4.754 4.556 -0.001 0.000 0.330 402 H C 0.606 176.005 175.328 0.117 0.000 1.057 402 H CA 0.413 56.531 56.048 0.116 0.000 1.458 402 H CB 0.852 30.656 29.762 0.070 0.000 1.470 402 H HN 0.530 nan 8.280 nan 0.000 0.560 403 T N 0.113 114.801 114.554 0.224 0.000 2.908 403 T HA 0.227 4.576 4.350 -0.001 0.000 0.290 403 T C -1.775 172.957 174.700 0.053 0.000 1.034 403 T CA -2.076 60.104 62.100 0.134 0.000 1.010 403 T CB 1.965 70.915 68.868 0.137 0.000 1.068 403 T HN 0.368 nan 8.240 nan 0.000 0.481 404 P HA 0.149 nan 4.420 nan 0.000 0.233 404 P C -0.167 177.106 177.300 -0.045 0.000 1.167 404 P CA 0.178 63.237 63.100 -0.068 0.000 0.770 404 P CB 0.139 31.789 31.700 -0.083 0.000 0.837 405 V N 1.538 121.430 119.914 -0.035 0.000 2.525 405 V HA 0.235 4.354 4.120 -0.001 0.000 0.299 405 V C -0.211 175.839 176.094 -0.073 0.000 1.034 405 V CA -0.770 61.496 62.300 -0.056 0.000 0.863 405 V CB 1.795 33.583 31.823 -0.057 0.000 0.999 405 V HN -0.022 nan 8.190 nan 0.000 0.423 406 N N 2.971 121.577 118.700 -0.157 0.000 2.602 406 N HA 0.070 4.809 4.740 -0.001 0.000 0.238 406 N C 1.368 176.636 175.510 -0.403 0.000 1.084 406 N CA 0.202 53.077 53.050 -0.292 0.000 0.952 406 N CB 1.647 39.825 38.487 -0.514 0.000 1.244 406 N HN 0.838 nan 8.380 nan 0.000 0.512 407 S N 1.970 117.562 115.700 -0.180 0.000 2.399 407 S HA -0.115 4.354 4.470 -0.001 0.000 0.231 407 S C 1.880 176.430 174.600 -0.083 0.000 1.022 407 S CA 0.165 58.303 58.200 -0.103 0.000 0.983 407 S CB -0.410 62.784 63.200 -0.011 0.000 0.803 407 S HN 0.783 nan 8.310 nan 0.000 0.480 408 W N 1.371 122.593 121.300 -0.131 0.000 2.342 408 W HA -0.084 4.576 4.660 -0.002 0.000 0.297 408 W C 1.662 178.111 176.519 -0.117 0.000 1.213 408 W CA 0.649 57.870 57.345 -0.207 0.000 1.251 408 W CB -0.981 27.959 29.460 -0.868 0.000 1.136 408 W HN 0.394 nan 8.180 nan 0.000 0.526 409 L N 2.676 123.289 121.223 -1.016 0.000 2.095 409 L HA 0.244 4.583 4.340 -0.001 0.000 0.204 409 L C 2.672 179.352 176.870 -0.317 0.000 1.080 409 L CA 2.675 57.005 54.840 -0.850 0.000 0.759 409 L CB -1.321 40.006 42.059 -1.220 0.000 0.914 409 L HN 0.023 nan 8.230 nan 0.000 0.439 410 G N -0.337 108.297 108.800 -0.277 0.000 2.446 410 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.217 410 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.217 410 G C 1.443 176.361 174.900 0.030 0.000 1.168 410 G CA 0.875 45.898 45.100 -0.128 0.000 0.771 410 G HN 0.449 nan 8.290 nan 0.000 0.551 411 N N 0.658 119.442 118.700 0.140 0.000 2.120 411 N HA -0.050 4.689 4.740 -0.001 0.000 0.188 411 N C 2.263 177.945 175.510 0.286 0.000 1.024 411 N CA 0.831 54.103 53.050 0.371 0.000 0.852 411 N CB -0.246 38.529 38.487 0.480 0.000 1.003 411 N HN 0.358 nan 8.380 nan 0.000 0.424 412 I N 0.990 121.681 120.570 0.202 0.000 2.179 412 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 412 I C 2.022 178.202 176.117 0.105 0.000 1.088 412 I CA 0.953 62.349 61.300 0.160 0.000 1.357 412 I CB -0.187 37.973 38.000 0.267 0.000 1.051 412 I HN 0.039 nan 8.210 nan 0.000 0.409 413 I N -0.161 120.467 120.570 0.097 0.000 2.226 413 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 413 I C 2.467 178.681 176.117 0.161 0.000 1.100 413 I CA 1.211 62.585 61.300 0.124 0.000 1.374 413 I CB -0.196 37.851 38.000 0.078 0.000 1.057 413 I HN 0.231 nan 8.210 nan 0.000 0.413 414 M N -0.857 118.761 119.600 0.030 0.000 2.287 414 M HA -0.062 4.417 4.480 -0.001 0.000 0.266 414 M C 1.019 177.110 176.300 -0.349 0.000 1.079 414 M CA 1.622 56.818 55.300 -0.173 0.000 1.146 414 M CB -0.610 31.772 32.600 -0.363 0.000 1.374 414 M HN 0.170 nan 8.290 nan 0.000 0.435 415 Y N -0.500 119.811 120.300 0.018 0.000 2.751 415 Y HA 0.483 5.032 4.550 -0.001 0.000 0.289 415 Y C 1.759 177.413 175.900 -0.409 0.000 1.110 415 Y CA -0.324 57.677 58.100 -0.165 0.000 1.251 415 Y CB -0.913 37.447 38.460 -0.165 0.000 1.178 415 Y HN 0.147 nan 8.280 nan 0.000 0.540 416 A N 0.964 123.587 122.820 -0.328 0.000 1.940 416 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 416 A C -0.457 176.862 177.584 -0.442 0.000 1.176 416 A CA 1.484 53.297 52.037 -0.373 0.000 0.631 416 A CB -1.304 17.503 19.000 -0.322 0.000 0.814 416 A HN 0.277 nan 8.150 nan 0.000 0.446 417 P HA 0.033 nan 4.420 nan 0.000 0.237 417 P C 0.554 177.639 177.300 -0.359 0.000 1.178 417 P CA 1.101 63.955 63.100 -0.410 0.000 0.766 417 P CB -0.394 31.081 31.700 -0.376 0.000 0.876 418 T N -2.842 111.475 114.554 -0.394 0.000 2.882 418 T HA 0.165 4.514 4.350 -0.001 0.000 0.287 418 T C 1.097 175.382 174.700 -0.693 0.000 1.014 418 T CA -0.714 61.111 62.100 -0.458 0.000 1.049 418 T CB 0.690 69.111 68.868 -0.746 0.000 1.001 418 T HN -0.192 nan 8.240 nan 0.000 0.525 419 L N 1.537 122.207 121.223 -0.923 0.000 2.042 419 L HA 0.004 4.343 4.340 -0.001 0.000 0.210 419 L C 2.323 178.865 176.870 -0.546 0.000 1.076 419 L CA 1.707 55.965 54.840 -0.969 0.000 0.749 419 L CB -0.947 40.487 42.059 -1.042 0.000 0.893 419 L HN 0.918 nan 8.230 nan 0.000 0.432 420 W N -1.335 119.763 121.300 -0.337 0.000 2.523 420 W HA 0.197 4.856 4.660 -0.001 0.000 0.278 420 W C 1.959 178.354 176.519 -0.206 0.000 1.236 420 W CA 0.591 57.779 57.345 -0.262 0.000 1.306 420 W CB -1.202 28.142 29.460 -0.194 0.000 1.101 420 W HN 0.282 nan 8.180 nan 0.000 0.577 421 A N 2.271 124.647 122.820 -0.740 0.000 1.855 421 A HA -0.135 4.184 4.320 -0.001 0.000 0.215 421 A C 2.254 179.691 177.584 -0.245 0.000 1.191 421 A CA 1.871 53.599 52.037 -0.514 0.000 0.613 421 A CB -0.838 17.683 19.000 -0.799 0.000 0.829 421 A HN 0.267 nan 8.150 nan 0.000 0.442 422 R N -0.898 119.382 120.500 -0.365 0.000 2.070 422 R HA -0.021 4.318 4.340 -0.001 0.000 0.233 422 R C 2.302 178.458 176.300 -0.241 0.000 1.137 422 R CA 1.788 57.707 56.100 -0.302 0.000 0.945 422 R CB -0.413 29.578 30.300 -0.515 0.000 0.845 422 R HN 0.499 nan 8.270 nan 0.000 0.430 423 M N -0.221 119.101 119.600 -0.464 0.000 2.254 423 M HA -0.062 4.417 4.480 -0.001 0.000 0.265 423 M C 1.876 178.095 176.300 -0.134 0.000 1.066 423 M CA 1.575 56.650 55.300 -0.375 0.000 1.123 423 M CB 0.073 32.400 32.600 -0.455 0.000 1.388 423 M HN 0.157 nan 8.290 nan 0.000 0.425 424 I N -1.228 119.127 120.570 -0.358 0.000 3.393 424 I HA -0.082 4.087 4.170 -0.001 0.000 0.250 424 I C 2.041 178.026 176.117 -0.220 0.000 1.122 424 I CA 0.111 60.938 61.300 -0.789 0.000 1.484 424 I CB -0.292 37.206 38.000 -0.837 0.000 1.468 424 I HN 0.098 nan 8.210 nan 0.000 0.461 425 L N 0.587 121.853 121.223 0.071 0.000 1.971 425 L HA -0.271 4.068 4.340 -0.001 0.000 0.215 425 L C 2.747 179.935 176.870 0.529 0.000 1.072 425 L CA 1.893 56.974 54.840 0.402 0.000 0.758 425 L CB -0.570 41.762 42.059 0.454 0.000 0.889 425 L HN 0.311 nan 8.230 nan 0.000 0.433 426 M N -0.973 118.898 119.600 0.452 0.000 2.080 426 M HA -0.200 4.279 4.480 -0.001 0.000 0.260 426 M C 2.290 179.094 176.300 0.839 0.000 1.068 426 M CA 2.174 57.842 55.300 0.613 0.000 1.109 426 M CB -0.695 32.062 32.600 0.262 0.000 1.342 426 M HN 0.306 nan 8.290 nan 0.000 0.405 427 T N -1.457 113.542 114.554 0.743 0.000 2.701 427 T HA -0.200 4.150 4.350 -0.001 0.000 0.263 427 T C 1.654 176.642 174.700 0.479 0.000 1.040 427 T CA 1.761 64.264 62.100 0.673 0.000 1.147 427 T CB -0.523 68.789 68.868 0.741 0.000 0.865 427 T HN 0.431 nan 8.240 nan 0.000 0.426 428 H N 0.507 119.747 119.070 0.283 0.000 2.290 428 H HA -0.052 4.503 4.556 -0.001 0.000 0.298 428 H C 1.773 176.974 175.328 -0.212 0.000 1.087 428 H CA 1.722 57.788 56.048 0.030 0.000 1.291 428 H CB -0.527 29.080 29.762 -0.258 0.000 1.369 428 H HN 0.349 nan 8.280 nan 0.000 0.492 429 F N -1.236 118.678 119.950 -0.060 0.000 2.234 429 F HA -0.002 4.524 4.527 -0.001 0.000 0.296 429 F C 2.091 177.717 175.800 -0.291 0.000 1.089 429 F CA 0.507 58.226 58.000 -0.468 0.000 1.343 429 F CB -0.599 37.727 39.000 -1.123 0.000 1.040 429 F HN 0.125 nan 8.300 nan 0.000 0.498 430 F N -0.179 119.864 119.950 0.155 0.000 2.171 430 F HA -0.213 4.313 4.527 -0.001 0.000 0.300 430 F C 2.799 178.628 175.800 0.049 0.000 1.090 430 F CA 1.563 59.671 58.000 0.180 0.000 1.293 430 F CB -1.069 38.153 39.000 0.370 0.000 1.013 430 F HN -0.040 nan 8.300 nan 0.000 0.486 431 S N 0.428 116.209 115.700 0.134 0.000 2.368 431 S HA -0.191 4.279 4.470 -0.001 0.000 0.225 431 S C 2.138 176.694 174.600 -0.074 0.000 1.030 431 S CA 1.465 59.669 58.200 0.007 0.000 0.999 431 S CB -0.557 62.632 63.200 -0.018 0.000 0.844 431 S HN 0.348 nan 8.310 nan 0.000 0.459 432 I N 1.232 121.690 120.570 -0.186 0.000 2.179 432 I HA -0.170 3.999 4.170 -0.001 0.000 0.242 432 I C 2.285 178.350 176.117 -0.086 0.000 1.088 432 I CA 1.218 62.406 61.300 -0.186 0.000 1.357 432 I CB -0.342 37.475 38.000 -0.305 0.000 1.051 432 I HN 0.326 nan 8.210 nan 0.000 0.409 433 L N -0.061 121.110 121.223 -0.087 0.000 2.131 433 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 433 L C 2.488 179.356 176.870 -0.003 0.000 1.092 433 L CA 1.208 56.020 54.840 -0.046 0.000 0.759 433 L CB -0.502 41.483 42.059 -0.123 0.000 0.903 433 L HN 0.286 nan 8.230 nan 0.000 0.435 434 L N -0.341 120.892 121.223 0.016 0.000 2.027 434 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 434 L C 2.816 179.696 176.870 0.017 0.000 1.074 434 L CA 1.171 56.035 54.840 0.039 0.000 0.745 434 L CB -0.575 41.515 42.059 0.052 0.000 0.898 434 L HN 0.212 nan 8.230 nan 0.000 0.433 435 A N -1.132 121.687 122.820 -0.003 0.000 2.070 435 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 435 A C 1.965 179.550 177.584 0.002 0.000 1.159 435 A CA 1.314 53.346 52.037 -0.007 0.000 0.656 435 A CB -0.170 18.815 19.000 -0.025 0.000 0.800 435 A HN 0.445 nan 8.150 nan 0.000 0.453 436 Q N -1.340 118.465 119.800 0.009 0.000 2.217 436 Q HA 0.151 4.490 4.340 -0.001 0.000 0.217 436 Q C -0.407 175.607 176.000 0.023 0.000 0.844 436 Q CA 0.219 56.033 55.803 0.019 0.000 0.957 436 Q CB 0.366 29.122 28.738 0.030 0.000 1.127 436 Q HN 0.750 nan 8.270 nan 0.000 0.503 437 E N 0.895 121.110 120.200 0.025 0.000 2.297 437 E HA -0.240 4.109 4.350 -0.001 0.000 0.228 437 E C -0.260 176.360 176.600 0.035 0.000 1.213 437 E CA 0.365 56.784 56.400 0.032 0.000 0.712 437 E CB -0.894 28.822 29.700 0.028 0.000 1.202 437 E HN 0.325 nan 8.360 nan 0.000 0.376 438 Q N -0.474 119.347 119.800 0.035 0.000 2.165 438 Q HA 0.230 4.569 4.340 -0.001 0.000 0.245 438 Q C 1.362 177.388 176.000 0.043 0.000 0.841 438 Q CA -0.285 55.542 55.803 0.039 0.000 1.078 438 Q CB 0.493 29.257 28.738 0.043 0.000 1.169 438 Q HN 0.412 nan 8.270 nan 0.000 0.475 439 L N 0.084 121.335 121.223 0.047 0.000 2.083 439 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 439 L C 1.459 178.374 176.870 0.075 0.000 1.083 439 L CA 1.518 56.391 54.840 0.056 0.000 0.752 439 L CB -0.046 42.080 42.059 0.111 0.000 0.899 439 L HN 0.324 nan 8.230 nan 0.000 0.433 440 E N -0.511 119.732 120.200 0.071 0.000 2.489 440 E HA -0.017 4.332 4.350 -0.001 0.000 0.193 440 E C 0.552 177.188 176.600 0.060 0.000 1.057 440 E CA -0.121 56.320 56.400 0.069 0.000 0.866 440 E CB 0.245 29.981 29.700 0.060 0.000 0.916 440 E HN 0.195 nan 8.360 nan 0.000 0.500 441 K N 2.091 122.525 120.400 0.056 0.000 2.349 441 K HA 0.231 4.551 4.320 -0.001 0.000 0.289 441 K C -0.396 176.239 176.600 0.057 0.000 1.064 441 K CA -0.241 56.076 56.287 0.050 0.000 0.947 441 K CB 0.618 33.143 32.500 0.042 0.000 1.007 441 K HN -0.040 nan 8.250 nan 0.000 0.478 442 A N 5.465 128.319 122.820 0.056 0.000 2.520 442 A HA 0.210 4.530 4.320 -0.001 0.000 0.245 442 A C -0.320 177.293 177.584 0.048 0.000 1.072 442 A CA 0.059 52.131 52.037 0.059 0.000 0.761 442 A CB 0.028 19.070 19.000 0.070 0.000 1.004 442 A HN 0.750 nan 8.150 nan 0.000 0.499 443 L N 2.187 123.426 121.223 0.026 0.000 2.354 443 L HA 0.377 4.716 4.340 -0.001 0.000 0.269 443 L C -0.724 176.131 176.870 -0.024 0.000 1.005 443 L CA -1.087 53.750 54.840 -0.005 0.000 0.819 443 L CB 1.888 43.917 42.059 -0.050 0.000 1.311 443 L HN 0.552 nan 8.230 nan 0.000 0.423 444 D N 1.559 121.954 120.400 -0.008 0.000 2.351 444 D HA 0.355 4.994 4.640 -0.001 0.000 0.251 444 D C -0.272 175.974 176.300 -0.089 0.000 1.137 444 D CA 0.031 54.032 54.000 0.001 0.000 0.879 444 D CB 1.224 42.052 40.800 0.046 0.000 1.181 444 D HN 0.604 nan 8.370 nan 0.000 0.448 445 C N 0.758 120.004 119.300 -0.089 0.000 3.213 445 C HA 0.689 5.148 4.460 -0.001 0.000 0.319 445 C C -0.885 174.063 174.990 -0.071 0.000 1.386 445 C CA -0.874 58.060 59.018 -0.140 0.000 1.494 445 C CB 1.473 29.061 27.740 -0.254 0.000 1.905 445 C HN 0.502 nan 8.230 nan 0.000 0.456 446 Q N 0.478 120.226 119.800 -0.086 0.000 2.340 446 Q HA 0.744 5.083 4.340 -0.001 0.000 0.268 446 Q C -1.436 174.504 176.000 -0.101 0.000 1.031 446 Q CA -0.280 55.504 55.803 -0.031 0.000 0.804 446 Q CB 2.331 31.072 28.738 0.004 0.000 1.286 446 Q HN 0.716 nan 8.270 nan 0.000 0.448 447 I N 2.650 123.135 120.570 -0.142 0.000 2.499 447 I HA 0.199 4.368 4.170 -0.001 0.000 0.288 447 I C -0.916 175.223 176.117 0.036 0.000 1.048 447 I CA -0.762 60.392 61.300 -0.244 0.000 1.062 447 I CB 1.271 38.785 38.000 -0.812 0.000 1.238 447 I HN 0.649 nan 8.210 nan 0.000 0.426 448 Y N 5.095 125.432 120.300 0.062 0.000 3.396 448 Y HA -0.262 4.288 4.550 -0.001 0.000 0.214 448 Y C 1.493 177.374 175.900 -0.032 0.000 1.203 448 Y CA 1.082 59.217 58.100 0.059 0.000 1.401 448 Y CB -2.016 36.489 38.460 0.074 0.000 1.409 448 Y HN 0.989 nan 8.280 nan 0.000 0.594 449 G N -2.172 106.729 108.800 0.168 0.000 2.205 449 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.261 449 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.261 449 G C 0.445 175.421 174.900 0.126 0.000 0.980 449 G CA 0.262 45.428 45.100 0.110 0.000 0.632 449 G HN 1.538 nan 8.290 nan 0.000 0.533 450 A N -0.756 122.167 122.820 0.172 0.000 2.304 450 A HA 0.666 4.985 4.320 -0.001 0.000 0.301 450 A C 0.620 178.243 177.584 0.064 0.000 1.132 450 A CA 0.348 52.434 52.037 0.081 0.000 0.819 450 A CB 1.128 20.156 19.000 0.048 0.000 1.094 450 A HN 1.481 nan 8.150 nan 0.000 0.492 451 C N 2.236 121.490 119.300 -0.078 0.000 2.347 451 C HA 0.743 5.202 4.460 -0.001 0.000 0.353 451 C C -1.214 173.602 174.990 -0.290 0.000 1.273 451 C CA -0.385 58.619 59.018 -0.023 0.000 1.861 451 C CB -1.447 26.357 27.740 0.108 0.000 2.420 451 C HN 0.613 nan 8.230 nan 0.000 0.542 452 Y N 3.023 123.161 120.300 -0.269 0.000 2.425 452 Y HA 0.468 5.017 4.550 -0.001 0.000 0.344 452 Y C 0.330 176.126 175.900 -0.174 0.000 0.969 452 Y CA -0.474 57.402 58.100 -0.373 0.000 1.052 452 Y CB 1.844 39.954 38.460 -0.583 0.000 1.215 452 Y HN 0.585 nan 8.280 nan 0.000 0.451 453 S N 4.230 119.945 115.700 0.025 0.000 2.438 453 S HA 0.774 5.243 4.470 -0.001 0.000 0.316 453 S C -1.008 173.641 174.600 0.083 0.000 1.084 453 S CA -0.299 57.960 58.200 0.099 0.000 1.107 453 S CB -0.356 62.961 63.200 0.195 0.000 0.981 453 S HN 0.557 nan 8.310 nan 0.000 0.466 454 I N 3.871 124.476 120.570 0.058 0.000 2.534 454 I HA 0.315 4.484 4.170 -0.001 0.000 0.288 454 I C -0.302 175.851 176.117 0.061 0.000 1.077 454 I CA -0.573 60.770 61.300 0.073 0.000 1.051 454 I CB 2.261 40.299 38.000 0.063 0.000 1.234 454 I HN 0.563 nan 8.210 nan 0.000 0.425 455 E N 7.219 127.471 120.200 0.086 0.000 2.290 455 E HA 0.124 4.473 4.350 -0.001 0.000 0.277 455 E C -1.685 174.982 176.600 0.113 0.000 1.035 455 E CA -1.508 54.945 56.400 0.089 0.000 0.873 455 E CB 0.895 30.649 29.700 0.091 0.000 1.029 455 E HN 0.313 nan 8.360 nan 0.000 0.419 456 P HA -0.223 nan 4.420 nan 0.000 0.218 456 P C 0.960 178.430 177.300 0.282 0.000 1.150 456 P CA 1.241 64.442 63.100 0.169 0.000 0.841 456 P CB 0.176 31.891 31.700 0.025 0.000 0.784 457 L N -1.046 120.309 121.223 0.220 0.000 2.353 457 L HA -0.142 4.198 4.340 -0.001 0.000 0.220 457 L C 1.329 178.308 176.870 0.181 0.000 1.133 457 L CA 1.189 56.168 54.840 0.232 0.000 0.798 457 L CB -0.684 41.472 42.059 0.162 0.000 0.922 457 L HN -0.034 nan 8.230 nan 0.000 0.445 458 D N -0.550 119.944 120.400 0.157 0.000 2.340 458 D HA 0.011 4.650 4.640 -0.001 0.000 0.220 458 D C 2.235 178.610 176.300 0.124 0.000 1.039 458 D CA 0.297 54.366 54.000 0.114 0.000 0.866 458 D CB 0.261 41.120 40.800 0.098 0.000 0.913 458 D HN 0.271 nan 8.370 nan 0.000 0.523 459 L N 0.993 122.332 121.223 0.193 0.000 2.042 459 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 459 L C -0.475 176.500 176.870 0.175 0.000 1.076 459 L CA 1.548 56.515 54.840 0.212 0.000 0.749 459 L CB -1.351 40.908 42.059 0.334 0.000 0.893 459 L HN 0.066 nan 8.230 nan 0.000 0.432 460 P HA -0.186 nan 4.420 nan 0.000 0.214 460 P C 1.386 178.759 177.300 0.121 0.000 1.163 460 P CA 1.221 64.368 63.100 0.078 0.000 0.883 460 P CB 0.045 31.631 31.700 -0.191 0.000 0.788 461 Q N -0.582 119.217 119.800 -0.001 0.000 2.061 461 Q HA -0.143 4.197 4.340 -0.001 0.000 0.204 461 Q C 2.208 178.188 176.000 -0.033 0.000 0.984 461 Q CA 1.458 57.243 55.803 -0.030 0.000 0.846 461 Q CB -1.151 27.555 28.738 -0.053 0.000 0.902 461 Q HN 0.253 nan 8.270 nan 0.000 0.421 462 I N -0.102 120.450 120.570 -0.031 0.000 2.163 462 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 462 I C 2.049 178.138 176.117 -0.045 0.000 1.085 462 I CA 1.261 62.497 61.300 -0.108 0.000 1.347 462 I CB -0.363 37.614 38.000 -0.039 0.000 1.044 462 I HN 0.202 nan 8.210 nan 0.000 0.408 463 I N 0.471 121.089 120.570 0.081 0.000 2.179 463 I HA -0.304 3.865 4.170 -0.001 0.000 0.242 463 I C 2.684 178.787 176.117 -0.024 0.000 1.088 463 I CA 1.568 62.930 61.300 0.104 0.000 1.357 463 I CB -0.390 37.695 38.000 0.142 0.000 1.051 463 I HN 0.310 nan 8.210 nan 0.000 0.409 464 E N 0.979 121.189 120.200 0.016 0.000 2.077 464 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 464 E C 2.407 178.970 176.600 -0.061 0.000 0.989 464 E CA 1.071 57.458 56.400 -0.022 0.000 0.800 464 E CB 0.105 29.876 29.700 0.118 0.000 0.746 464 E HN 0.252 nan 8.360 nan 0.000 0.452 465 R N 0.282 120.732 120.500 -0.084 0.000 2.073 465 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 465 R C 2.511 178.724 176.300 -0.145 0.000 1.134 465 R CA 1.008 57.035 56.100 -0.121 0.000 0.952 465 R CB -0.665 29.525 30.300 -0.183 0.000 0.850 465 R HN 0.364 nan 8.270 nan 0.000 0.433 466 L N -0.663 120.444 121.223 -0.193 0.000 2.131 466 L HA -0.089 4.251 4.340 -0.001 0.000 0.206 466 L C 1.791 178.394 176.870 -0.445 0.000 1.087 466 L CA 1.150 55.796 54.840 -0.323 0.000 0.767 466 L CB -0.320 41.480 42.059 -0.431 0.000 0.917 466 L HN 0.296 nan 8.230 nan 0.000 0.441 467 H N -1.210 117.778 119.070 -0.136 0.000 3.241 467 H HA 0.304 4.859 4.556 -0.001 0.000 0.260 467 H C 0.872 176.103 175.328 -0.162 0.000 1.084 467 H CA 0.748 56.704 56.048 -0.153 0.000 1.203 467 H CB 1.229 30.875 29.762 -0.193 0.000 1.524 467 H HN 0.281 nan 8.280 nan 0.000 0.521 468 G N 1.065 109.827 108.800 -0.065 0.000 2.699 468 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.686 468 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.686 468 G C 0.666 175.476 174.900 -0.150 0.000 1.301 468 G CA -0.152 44.903 45.100 -0.075 0.000 0.816 468 G HN 0.213 nan 8.290 nan 0.000 0.595 469 L N 0.887 122.084 121.223 -0.043 0.000 2.081 469 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 469 L C 3.247 180.099 176.870 -0.030 0.000 1.080 469 L CA 2.727 57.595 54.840 0.048 0.000 0.754 469 L CB -0.432 41.724 42.059 0.162 0.000 0.893 469 L HN 1.036 nan 8.230 nan 0.000 0.433 470 S N -0.474 115.190 115.700 -0.060 0.000 2.469 470 S HA -0.133 4.337 4.470 -0.001 0.000 0.238 470 S C 2.015 176.527 174.600 -0.146 0.000 0.998 470 S CA 0.748 58.912 58.200 -0.060 0.000 0.957 470 S CB -0.283 62.882 63.200 -0.057 0.000 0.764 470 S HN 0.388 nan 8.310 nan 0.000 0.514 471 A N 0.886 123.523 122.820 -0.305 0.000 2.019 471 A HA 0.142 4.461 4.320 -0.001 0.000 0.219 471 A C 1.550 178.949 177.584 -0.308 0.000 1.164 471 A CA 1.031 52.824 52.037 -0.406 0.000 0.644 471 A CB -0.876 17.786 19.000 -0.563 0.000 0.805 471 A HN 0.599 nan 8.150 nan 0.000 0.449 472 F N 0.368 120.331 119.950 0.021 0.000 2.780 472 F HA 0.077 4.604 4.527 -0.001 0.000 0.299 472 F C 1.717 177.561 175.800 0.073 0.000 1.146 472 F CA 0.688 58.728 58.000 0.066 0.000 1.428 472 F CB -0.122 38.957 39.000 0.132 0.000 1.115 472 F HN 0.248 nan 8.300 nan 0.000 0.583 473 S N -1.623 114.168 115.700 0.151 0.000 2.893 473 S HA 0.305 4.774 4.470 -0.001 0.000 0.258 473 S C 0.137 174.785 174.600 0.080 0.000 1.034 473 S CA -0.402 57.873 58.200 0.125 0.000 1.167 473 S CB -0.510 62.757 63.200 0.110 0.000 1.137 473 S HN 0.033 nan 8.310 nan 0.000 0.650 474 L N 3.190 124.388 121.223 -0.042 0.000 2.483 474 L HA 0.372 4.712 4.340 -0.001 0.000 0.276 474 L C 0.632 177.400 176.870 -0.169 0.000 1.213 474 L CA 0.356 55.065 54.840 -0.219 0.000 0.843 474 L CB 0.015 41.784 42.059 -0.484 0.000 1.107 474 L HN 0.675 nan 8.230 nan 0.000 0.487 475 H N -1.880 116.927 119.070 -0.440 0.000 2.902 475 H HA 0.305 4.860 4.556 -0.001 0.000 0.297 475 H C -0.383 174.778 175.328 -0.278 0.000 1.406 475 H CA -0.662 55.207 56.048 -0.299 0.000 1.134 475 H CB 0.878 30.606 29.762 -0.056 0.000 1.833 475 H HN 0.378 nan 8.280 nan 0.000 0.527 476 S N -0.217 115.366 115.700 -0.196 0.000 3.484 476 S HA -0.239 4.230 4.470 -0.001 0.000 0.384 476 S C -0.584 173.967 174.600 -0.081 0.000 0.932 476 S CA 0.612 58.739 58.200 -0.122 0.000 1.293 476 S CB -2.347 60.678 63.200 -0.293 0.000 0.919 476 S HN 0.500 nan 8.310 nan 0.000 0.540 477 Y N 1.568 121.874 120.300 0.010 0.000 2.296 477 Y HA 0.318 4.867 4.550 -0.002 0.000 0.343 477 Y C 1.357 177.294 175.900 0.061 0.000 1.292 477 Y CA 0.482 58.601 58.100 0.032 0.000 1.490 477 Y CB 0.373 38.849 38.460 0.025 0.000 1.359 477 Y HN 0.527 nan 8.280 nan 0.000 0.599 478 S N 1.163 117.014 115.700 0.251 0.000 2.592 478 S HA 0.189 4.658 4.470 -0.001 0.000 0.271 478 S C -2.034 172.642 174.600 0.127 0.000 1.326 478 S CA -1.167 57.121 58.200 0.147 0.000 1.024 478 S CB 1.295 64.561 63.200 0.110 0.000 0.921 478 S HN 0.412 nan 8.310 nan 0.000 0.527 479 P HA 0.086 nan 4.420 nan 0.000 0.218 479 P C 1.633 178.969 177.300 0.059 0.000 1.149 479 P CA 1.341 64.483 63.100 0.070 0.000 0.817 479 P CB -0.406 31.326 31.700 0.053 0.000 0.785 480 G N 0.189 109.021 108.800 0.053 0.000 2.418 480 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 480 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 480 G C 1.674 176.602 174.900 0.047 0.000 1.158 480 G CA 0.801 45.925 45.100 0.039 0.000 0.771 480 G HN 0.260 nan 8.290 nan 0.000 0.545 481 E N 0.636 120.881 120.200 0.076 0.000 2.047 481 E HA -0.045 4.305 4.350 -0.001 0.000 0.191 481 E C 2.428 179.073 176.600 0.075 0.000 0.987 481 E CA 0.748 57.205 56.400 0.096 0.000 0.799 481 E CB -0.367 29.441 29.700 0.179 0.000 0.752 481 E HN 0.497 nan 8.360 nan 0.000 0.449 482 I N 0.979 121.598 120.570 0.081 0.000 2.163 482 I HA -0.319 3.850 4.170 -0.001 0.000 0.243 482 I C 1.934 178.076 176.117 0.042 0.000 1.085 482 I CA 1.214 62.548 61.300 0.057 0.000 1.347 482 I CB -0.508 37.539 38.000 0.077 0.000 1.044 482 I HN 0.162 nan 8.210 nan 0.000 0.408 483 N N 0.848 119.572 118.700 0.041 0.000 2.069 483 N HA -0.228 4.512 4.740 -0.001 0.000 0.191 483 N C 1.899 177.420 175.510 0.017 0.000 1.031 483 N CA 1.337 54.405 53.050 0.029 0.000 0.852 483 N CB -0.572 37.931 38.487 0.027 0.000 1.018 483 N HN 0.349 nan 8.380 nan 0.000 0.423 484 R N 0.944 121.451 120.500 0.011 0.000 2.091 484 R HA -0.064 4.275 4.340 -0.001 0.000 0.238 484 R C 1.943 178.227 176.300 -0.027 0.000 1.136 484 R CA 1.103 57.196 56.100 -0.012 0.000 0.959 484 R CB -0.227 30.060 30.300 -0.022 0.000 0.856 484 R HN -0.007 nan 8.270 nan 0.000 0.437 485 V N 0.901 120.808 119.914 -0.012 0.000 2.270 485 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 485 V C 2.481 178.574 176.094 -0.001 0.000 1.043 485 V CA 1.875 64.164 62.300 -0.020 0.000 1.014 485 V CB -0.757 31.076 31.823 0.016 0.000 0.645 485 V HN 0.589 nan 8.190 nan 0.000 0.447 486 A N -0.136 122.695 122.820 0.019 0.000 1.903 486 A HA -0.280 4.039 4.320 -0.001 0.000 0.219 486 A C 2.469 180.070 177.584 0.029 0.000 1.191 486 A CA 2.693 54.750 52.037 0.033 0.000 0.638 486 A CB -0.878 18.144 19.000 0.038 0.000 0.823 486 A HN 0.543 nan 8.150 nan 0.000 0.451 487 S N -1.372 114.338 115.700 0.016 0.000 2.368 487 S HA -0.215 4.254 4.470 -0.001 0.000 0.225 487 S C 2.048 176.656 174.600 0.013 0.000 1.030 487 S CA 1.199 59.408 58.200 0.015 0.000 0.999 487 S CB -1.012 62.191 63.200 0.005 0.000 0.844 487 S HN 0.805 nan 8.310 nan 0.000 0.459 488 C N 2.277 121.573 119.300 -0.007 0.000 2.413 488 C HA -0.017 4.443 4.460 -0.001 0.000 0.276 488 C C 2.440 177.439 174.990 0.016 0.000 1.248 488 C CA 0.611 59.618 59.018 -0.017 0.000 1.742 488 C CB -1.657 26.039 27.740 -0.073 0.000 2.017 488 C HN 0.572 nan 8.230 nan 0.000 0.481 489 L N 0.294 121.534 121.223 0.028 0.000 2.046 489 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 489 L C 3.015 179.930 176.870 0.074 0.000 1.077 489 L CA 1.712 56.589 54.840 0.061 0.000 0.747 489 L CB -0.889 41.221 42.059 0.085 0.000 0.896 489 L HN 0.375 nan 8.230 nan 0.000 0.432 490 R N 0.409 120.952 120.500 0.071 0.000 2.075 490 R HA -0.172 4.167 4.340 -0.001 0.000 0.232 490 R C 2.352 178.734 176.300 0.137 0.000 1.126 490 R CA 1.271 57.426 56.100 0.092 0.000 0.963 490 R CB -0.278 30.063 30.300 0.068 0.000 0.858 490 R HN 0.279 nan 8.270 nan 0.000 0.435 491 K N 0.535 120.995 120.400 0.099 0.000 2.063 491 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 491 K C 1.427 178.151 176.600 0.206 0.000 1.048 491 K CA 1.199 57.548 56.287 0.102 0.000 0.928 491 K CB 0.120 32.651 32.500 0.052 0.000 0.713 491 K HN 0.014 nan 8.250 nan 0.000 0.442 492 L N -0.182 121.148 121.223 0.179 0.000 2.585 492 L HA 0.230 4.569 4.340 -0.001 0.000 0.226 492 L C 0.864 177.794 176.870 0.100 0.000 1.113 492 L CA 1.240 56.188 54.840 0.180 0.000 0.876 492 L CB 0.217 42.332 42.059 0.094 0.000 1.072 492 L HN 0.475 nan 8.230 nan 0.000 0.468 493 G N 0.188 108.998 108.800 0.017 0.000 2.225 493 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.264 493 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.264 493 G C 0.077 174.897 174.900 -0.134 0.000 1.060 493 G CA 0.242 45.131 45.100 -0.352 0.000 0.833 493 G HN 0.100 nan 8.290 nan 0.000 0.498 494 V N 1.140 121.061 119.914 0.012 0.000 2.465 494 V HA 0.394 4.513 4.120 -0.001 0.000 0.279 494 V C -1.201 174.994 176.094 0.168 0.000 1.045 494 V CA -1.522 60.850 62.300 0.121 0.000 0.938 494 V CB 1.497 33.409 31.823 0.148 0.000 0.986 494 V HN 0.200 nan 8.190 nan 0.000 0.467 495 P HA 0.126 nan 4.420 nan 0.000 0.266 495 P C -2.567 174.868 177.300 0.226 0.000 1.193 495 P CA -0.703 62.436 63.100 0.064 0.000 0.770 495 P CB -0.185 31.371 31.700 -0.239 0.000 0.836 496 P HA 0.089 nan 4.420 nan 0.000 0.270 496 P C 0.870 178.337 177.300 0.278 0.000 1.223 496 P CA -0.042 63.163 63.100 0.176 0.000 0.785 496 P CB 0.358 32.110 31.700 0.087 0.000 0.923 497 L N 0.830 122.240 121.223 0.312 0.000 2.261 497 L HA -0.204 4.135 4.340 -0.001 0.000 0.216 497 L C 2.347 179.412 176.870 0.325 0.000 1.114 497 L CA 1.549 56.619 54.840 0.384 0.000 0.777 497 L CB -0.632 41.563 42.059 0.228 0.000 0.910 497 L HN 0.384 nan 8.230 nan 0.000 0.440 498 R N -0.777 119.843 120.500 0.200 0.000 2.092 498 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 498 R C 2.149 178.522 176.300 0.121 0.000 1.119 498 R CA 1.153 57.347 56.100 0.157 0.000 0.970 498 R CB -0.823 29.534 30.300 0.095 0.000 0.864 498 R HN 0.168 nan 8.270 nan 0.000 0.440 499 V N 0.580 120.497 119.914 0.004 0.000 2.237 499 V HA -0.226 3.893 4.120 -0.001 0.000 0.245 499 V C 2.029 178.040 176.094 -0.138 0.000 1.046 499 V CA 1.861 64.051 62.300 -0.184 0.000 1.007 499 V CB -0.761 30.820 31.823 -0.403 0.000 0.638 499 V HN 0.364 nan 8.190 nan 0.000 0.445 500 W N 0.322 121.725 121.300 0.173 0.000 2.321 500 W HA -0.223 4.436 4.660 -0.001 0.000 0.306 500 W C 2.781 179.506 176.519 0.344 0.000 1.217 500 W CA 1.978 59.476 57.345 0.256 0.000 1.257 500 W CB -0.394 29.229 29.460 0.271 0.000 1.145 500 W HN 0.100 nan 8.180 nan 0.000 0.509 501 R N -0.286 120.540 120.500 0.543 0.000 2.083 501 R HA -0.226 4.113 4.340 -0.001 0.000 0.237 501 R C 1.958 178.348 176.300 0.150 0.000 1.137 501 R CA 2.231 58.575 56.100 0.407 0.000 0.951 501 R CB -0.895 29.637 30.300 0.386 0.000 0.851 501 R HN 0.232 nan 8.270 nan 0.000 0.434 502 H N 0.013 119.111 119.070 0.046 0.000 2.265 502 H HA -0.124 4.431 4.556 -0.001 0.000 0.293 502 H C 2.283 177.573 175.328 -0.062 0.000 1.089 502 H CA 2.808 58.837 56.048 -0.033 0.000 1.244 502 H CB 0.096 29.825 29.762 -0.055 0.000 1.355 502 H HN 0.215 nan 8.280 nan 0.000 0.485 503 R N -0.302 120.268 120.500 0.118 0.000 2.096 503 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 503 R C 2.554 178.825 176.300 -0.049 0.000 1.127 503 R CA 0.918 57.041 56.100 0.038 0.000 0.968 503 R CB -0.270 30.062 30.300 0.053 0.000 0.861 503 R HN 0.334 nan 8.270 nan 0.000 0.440 504 A N 1.500 124.300 122.820 -0.034 0.000 1.933 504 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 504 A C 2.094 179.393 177.584 -0.475 0.000 1.175 504 A CA 1.161 53.004 52.037 -0.325 0.000 0.628 504 A CB -0.340 18.472 19.000 -0.313 0.000 0.814 504 A HN 0.216 nan 8.150 nan 0.000 0.444 505 R N -0.668 119.635 120.500 -0.327 0.000 2.073 505 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 505 R C 2.674 178.826 176.300 -0.246 0.000 1.134 505 R CA 1.491 57.415 56.100 -0.292 0.000 0.952 505 R CB -0.564 29.583 30.300 -0.256 0.000 0.850 505 R HN 0.579 nan 8.270 nan 0.000 0.433 506 S N 0.522 116.101 115.700 -0.201 0.000 2.353 506 S HA -0.136 4.333 4.470 -0.001 0.000 0.222 506 S C 2.115 176.607 174.600 -0.181 0.000 1.035 506 S CA 1.610 59.720 58.200 -0.150 0.000 1.025 506 S CB -0.257 62.888 63.200 -0.091 0.000 0.902 506 S HN 0.125 nan 8.310 nan 0.000 0.440 507 V N 2.533 122.291 119.914 -0.259 0.000 2.287 507 V HA -0.190 3.929 4.120 -0.001 0.000 0.248 507 V C 2.749 178.634 176.094 -0.349 0.000 1.053 507 V CA 2.399 64.508 62.300 -0.319 0.000 1.027 507 V CB -0.892 30.640 31.823 -0.485 0.000 0.646 507 V HN 0.526 nan 8.190 nan 0.000 0.447 508 R N 0.167 120.384 120.500 -0.471 0.000 2.080 508 R HA -0.206 4.134 4.340 -0.001 0.000 0.236 508 R C 2.348 178.566 176.300 -0.136 0.000 1.137 508 R CA 1.913 57.851 56.100 -0.270 0.000 0.943 508 R CB -0.579 29.571 30.300 -0.251 0.000 0.846 508 R HN 0.471 nan 8.270 nan 0.000 0.431 509 A N 1.425 124.159 122.820 -0.143 0.000 1.873 509 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 509 A C 2.212 179.759 177.584 -0.062 0.000 1.193 509 A CA 1.854 53.834 52.037 -0.095 0.000 0.629 509 A CB -0.614 18.326 19.000 -0.100 0.000 0.826 509 A HN 0.444 nan 8.150 nan 0.000 0.447 510 R N -0.636 119.826 120.500 -0.063 0.000 2.105 510 R HA -0.077 4.262 4.340 -0.001 0.000 0.239 510 R C 2.044 178.346 176.300 0.003 0.000 1.135 510 R CA 1.469 57.552 56.100 -0.028 0.000 0.967 510 R CB -0.579 29.707 30.300 -0.024 0.000 0.861 510 R HN 0.521 nan 8.270 nan 0.000 0.442 511 L N 0.531 121.759 121.223 0.009 0.000 2.072 511 L HA -0.124 4.215 4.340 -0.001 0.000 0.205 511 L C 2.386 179.279 176.870 0.038 0.000 1.079 511 L CA 0.976 55.851 54.840 0.058 0.000 0.752 511 L CB -0.401 41.720 42.059 0.105 0.000 0.906 511 L HN 0.129 nan 8.230 nan 0.000 0.436 512 L N -0.797 120.431 121.223 0.008 0.000 2.079 512 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 512 L C 2.710 179.582 176.870 0.004 0.000 1.081 512 L CA 1.031 55.871 54.840 0.000 0.000 0.752 512 L CB -0.573 41.471 42.059 -0.025 0.000 0.896 512 L HN 0.233 nan 8.230 nan 0.000 0.433 513 S N -0.454 115.246 115.700 0.001 0.000 2.374 513 S HA -0.258 4.211 4.470 -0.001 0.000 0.227 513 S C 1.811 176.419 174.600 0.013 0.000 1.037 513 S CA 1.423 59.625 58.200 0.003 0.000 1.024 513 S CB -0.241 62.959 63.200 0.000 0.000 0.861 513 S HN 0.544 nan 8.310 nan 0.000 0.456 514 Q N 0.349 120.165 119.800 0.026 0.000 2.425 514 Q HA 0.305 4.644 4.340 -0.001 0.000 0.204 514 Q C 1.213 177.234 176.000 0.035 0.000 0.933 514 Q CA 0.294 56.117 55.803 0.033 0.000 0.939 514 Q CB 0.082 28.848 28.738 0.047 0.000 1.044 514 Q HN 0.539 nan 8.270 nan 0.000 0.513 515 G N 0.326 109.146 108.800 0.033 0.000 2.741 515 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.222 515 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.222 515 G C 0.444 175.369 174.900 0.042 0.000 1.364 515 G CA -0.368 44.751 45.100 0.032 0.000 0.866 515 G HN 0.621 nan 8.290 nan 0.000 0.555 516 G N -0.561 108.262 108.800 0.038 0.000 2.629 516 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.335 516 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.335 516 G C 1.341 176.273 174.900 0.054 0.000 1.347 516 G CA 1.793 46.918 45.100 0.042 0.000 0.979 516 G HN 1.498 nan 8.290 nan 0.000 0.534 517 R N 0.221 120.757 120.500 0.059 0.000 2.105 517 R HA -0.021 4.319 4.340 -0.001 0.000 0.239 517 R C 3.193 179.553 176.300 0.100 0.000 1.135 517 R CA 1.859 58.002 56.100 0.072 0.000 0.967 517 R CB -0.631 29.715 30.300 0.077 0.000 0.861 517 R HN 0.630 nan 8.270 nan 0.000 0.442 518 A N 1.342 124.228 122.820 0.109 0.000 1.902 518 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 518 A C 2.388 180.040 177.584 0.114 0.000 1.181 518 A CA 1.751 53.871 52.037 0.139 0.000 0.623 518 A CB -0.560 18.514 19.000 0.124 0.000 0.818 518 A HN 0.404 nan 8.150 nan 0.000 0.443 519 A N -1.002 121.866 122.820 0.080 0.000 1.898 519 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 519 A C 2.285 179.910 177.584 0.068 0.000 1.181 519 A CA 2.205 54.277 52.037 0.059 0.000 0.620 519 A CB -1.355 17.669 19.000 0.040 0.000 0.819 519 A HN 0.430 nan 8.150 nan 0.000 0.442 520 T N -0.335 114.272 114.554 0.088 0.000 2.653 520 T HA -0.266 4.083 4.350 -0.001 0.000 0.268 520 T C 1.894 176.660 174.700 0.110 0.000 1.035 520 T CA 1.743 63.924 62.100 0.134 0.000 1.154 520 T CB -0.883 68.024 68.868 0.066 0.000 0.862 520 T HN 0.579 nan 8.240 nan 0.000 0.441 521 C N 1.265 120.606 119.300 0.070 0.000 2.413 521 C HA 0.019 4.479 4.460 -0.001 0.000 0.276 521 C C 3.100 178.090 174.990 -0.001 0.000 1.248 521 C CA 0.431 59.447 59.018 -0.004 0.000 1.742 521 C CB -1.640 26.139 27.740 0.064 0.000 2.017 521 C HN 0.752 nan 8.230 nan 0.000 0.481 522 G N 0.197 109.047 108.800 0.082 0.000 2.480 522 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.216 522 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.216 522 G C 1.589 176.507 174.900 0.029 0.000 1.200 522 G CA 1.250 46.417 45.100 0.112 0.000 0.782 522 G HN 0.617 nan 8.290 nan 0.000 0.554 523 K N -0.754 119.620 120.400 -0.042 0.000 2.001 523 K HA -0.182 4.138 4.320 -0.001 0.000 0.214 523 K C 2.324 178.710 176.600 -0.357 0.000 1.050 523 K CA 1.821 57.990 56.287 -0.195 0.000 0.934 523 K CB -0.342 32.021 32.500 -0.228 0.000 0.718 523 K HN 0.440 nan 8.250 nan 0.000 0.443 524 Y N 0.548 120.653 120.300 -0.324 0.000 2.176 524 Y HA -0.043 4.506 4.550 -0.001 0.000 0.291 524 Y C 2.083 177.645 175.900 -0.564 0.000 1.122 524 Y CA 0.972 58.686 58.100 -0.644 0.000 1.128 524 Y CB -0.176 37.605 38.460 -1.131 0.000 1.005 524 Y HN -0.025 nan 8.280 nan 0.000 0.509 525 L N -1.660 119.351 121.223 -0.352 0.000 2.275 525 L HA -0.149 4.191 4.340 -0.001 0.000 0.215 525 L C 0.626 177.169 176.870 -0.546 0.000 1.119 525 L CA 1.225 55.788 54.840 -0.463 0.000 0.790 525 L CB -0.340 41.186 42.059 -0.889 0.000 0.919 525 L HN 0.197 nan 8.230 nan 0.000 0.443 526 F N -1.741 118.158 119.950 -0.086 0.000 2.735 526 F HA 0.179 4.706 4.527 -0.001 0.000 0.308 526 F C 1.579 177.095 175.800 -0.473 0.000 1.112 526 F CA -0.499 57.281 58.000 -0.368 0.000 1.235 526 F CB -0.524 38.263 39.000 -0.355 0.000 1.027 526 F HN -0.086 nan 8.300 nan 0.000 0.528 527 N N 0.976 119.612 118.700 -0.107 0.000 2.309 527 N HA -0.180 4.559 4.740 -0.001 0.000 0.182 527 N C 2.035 177.528 175.510 -0.029 0.000 1.018 527 N CA 1.605 54.599 53.050 -0.093 0.000 0.876 527 N CB -0.180 38.260 38.487 -0.079 0.000 0.972 527 N HN 0.491 nan 8.380 nan 0.000 0.434 528 W N -0.349 120.989 121.300 0.063 0.000 2.392 528 W HA 0.072 4.732 4.660 -0.001 0.000 0.279 528 W C 1.287 177.856 176.519 0.083 0.000 1.225 528 W CA 0.755 58.145 57.345 0.074 0.000 1.233 528 W CB -0.910 28.613 29.460 0.105 0.000 1.122 528 W HN 0.064 nan 8.180 nan 0.000 0.561 529 A N 1.444 123.911 122.820 -0.589 0.000 2.169 529 A HA 0.199 4.519 4.320 -0.001 0.000 0.212 529 A C 1.053 178.483 177.584 -0.257 0.000 1.153 529 A CA 0.969 52.624 52.037 -0.638 0.000 0.756 529 A CB -0.834 17.508 19.000 -1.095 0.000 0.813 529 A HN 0.132 nan 8.150 nan 0.000 0.471 530 V N -3.404 116.403 119.914 -0.179 0.000 2.612 530 V HA 0.412 4.531 4.120 -0.001 0.000 0.301 530 V C 1.031 177.086 176.094 -0.064 0.000 1.046 530 V CA -0.683 61.543 62.300 -0.124 0.000 0.946 530 V CB 1.488 33.235 31.823 -0.127 0.000 1.003 530 V HN 0.294 nan 8.190 nan 0.000 0.459 531 K N 1.109 121.473 120.400 -0.059 0.000 2.097 531 K HA -0.012 4.307 4.320 -0.001 0.000 0.206 531 K C 0.368 176.946 176.600 -0.037 0.000 1.049 531 K CA 1.632 57.897 56.287 -0.037 0.000 0.933 531 K CB -0.001 32.475 32.500 -0.039 0.000 0.717 531 K HN 0.896 nan 8.250 nan 0.000 0.442 532 T N 1.645 116.171 114.554 -0.048 0.000 2.892 532 T HA 0.283 4.632 4.350 -0.001 0.000 0.311 532 T C -0.957 173.709 174.700 -0.056 0.000 1.033 532 T CA -0.712 61.360 62.100 -0.047 0.000 0.991 532 T CB 1.711 70.552 68.868 -0.044 0.000 0.981 532 T HN 0.015 nan 8.240 nan 0.000 0.457 537 T N 0.636 115.284 114.554 0.155 0.000 2.916 537 T HA 0.889 5.238 4.350 -0.001 0.000 0.292 537 T C -2.845 172.002 174.700 0.244 0.000 1.055 537 T CA -2.285 59.918 62.100 0.172 0.000 1.009 537 T CB 2.040 70.970 68.868 0.103 0.000 1.118 537 T HN 0.279 nan 8.240 nan 0.000 0.497 538 P HA 0.164 nan 4.420 nan 0.000 0.264 538 P C -0.656 176.674 177.300 0.050 0.000 1.179 538 P CA 0.070 63.225 63.100 0.092 0.000 0.763 538 P CB 0.145 31.878 31.700 0.055 0.000 0.806 539 I N 5.439 125.975 120.570 -0.056 0.000 2.325 539 I HA 0.152 4.321 4.170 -0.001 0.000 0.291 539 I C -1.187 174.895 176.117 -0.060 0.000 1.019 539 I CA -1.913 59.313 61.300 -0.124 0.000 1.302 539 I CB 1.226 39.033 38.000 -0.321 0.000 1.401 539 I HN 0.346 nan 8.210 nan 0.000 0.485 540 P HA -0.260 nan 4.420 nan 0.000 0.216 540 P C 1.185 178.470 177.300 -0.025 0.000 1.167 540 P CA 1.304 64.395 63.100 -0.016 0.000 0.914 540 P CB 0.194 31.892 31.700 -0.004 0.000 0.793 541 A N -1.281 121.520 122.820 -0.032 0.000 2.255 541 A HA 0.232 4.551 4.320 -0.001 0.000 0.206 541 A C 2.012 179.572 177.584 -0.040 0.000 1.193 541 A CA 1.100 53.120 52.037 -0.028 0.000 0.794 541 A CB -1.149 17.839 19.000 -0.019 0.000 0.794 541 A HN 0.207 nan 8.150 nan 0.000 0.481 542 A N 0.206 122.995 122.820 -0.051 0.000 1.935 542 A HA 0.021 4.340 4.320 -0.001 0.000 0.214 542 A C 2.437 179.986 177.584 -0.059 0.000 1.178 542 A CA 1.565 53.566 52.037 -0.061 0.000 0.640 542 A CB -0.813 18.149 19.000 -0.064 0.000 0.825 542 A HN 0.982 nan 8.150 nan 0.000 0.447 543 S N 0.778 116.453 115.700 -0.042 0.000 2.400 543 S HA -0.269 4.200 4.470 -0.001 0.000 0.232 543 S C 1.719 176.296 174.600 -0.037 0.000 1.025 543 S CA 1.608 59.786 58.200 -0.036 0.000 0.993 543 S CB -0.537 62.650 63.200 -0.022 0.000 0.808 543 S HN 0.794 nan 8.310 nan 0.000 0.478 544 Q N 0.208 119.988 119.800 -0.034 0.000 2.219 544 Q HA 0.446 4.785 4.340 -0.001 0.000 0.209 544 Q C 0.089 176.070 176.000 -0.031 0.000 0.854 544 Q CA -0.344 55.443 55.803 -0.027 0.000 0.960 544 Q CB -0.065 28.663 28.738 -0.016 0.000 1.116 544 Q HN 0.447 nan 8.270 nan 0.000 0.500 545 L N 1.617 122.809 121.223 -0.051 0.000 2.371 545 L HA 0.320 4.659 4.340 -0.001 0.000 0.272 545 L C -0.203 176.621 176.870 -0.076 0.000 1.124 545 L CA -0.650 54.154 54.840 -0.059 0.000 0.816 545 L CB 0.673 42.679 42.059 -0.089 0.000 1.129 545 L HN 0.104 nan 8.230 nan 0.000 0.448 546 D N 2.814 123.191 120.400 -0.039 0.000 2.380 546 D HA 0.266 4.905 4.640 -0.001 0.000 0.230 546 D C 0.150 176.421 176.300 -0.048 0.000 1.154 546 D CA -0.142 53.847 54.000 -0.018 0.000 0.859 546 D CB 1.237 42.055 40.800 0.030 0.000 1.045 546 D HN 0.281 nan 8.370 nan 0.000 0.495 547 L N 2.433 123.561 121.223 -0.159 0.000 2.731 547 L HA 0.139 4.478 4.340 -0.001 0.000 0.240 547 L C 0.886 177.716 176.870 -0.067 0.000 1.120 547 L CA -0.026 54.565 54.840 -0.414 0.000 0.913 547 L CB -0.079 41.606 42.059 -0.624 0.000 1.213 547 L HN 0.358 nan 8.230 nan 0.000 0.515 548 S N -0.429 115.312 115.700 0.069 0.000 2.558 548 S HA 0.330 4.800 4.470 -0.001 0.000 0.287 548 S C 1.334 176.139 174.600 0.343 0.000 1.321 548 S CA 0.361 58.657 58.200 0.160 0.000 1.048 548 S CB 0.584 63.845 63.200 0.103 0.000 0.844 548 S HN 0.652 nan 8.310 nan 0.000 0.512 549 S N 0.937 116.836 115.700 0.331 0.000 2.044 549 S HA -0.157 4.312 4.470 -0.001 0.000 0.248 549 S C 0.862 175.757 174.600 0.492 0.000 1.146 549 S CA 1.218 59.669 58.200 0.418 0.000 1.370 549 S CB -2.646 nan 63.200 nan 0.000 1.698 549 S HN 0.904 nan 8.310 nan 0.000 0.578 550 W N 0.232 121.543 121.300 0.019 0.000 2.381 550 W HA 0.409 5.068 4.660 -0.001 0.000 0.301 550 W C 0.732 176.794 176.519 -0.761 0.000 1.205 550 W CA 1.632 58.657 57.345 -0.533 0.000 1.285 550 W CB -0.176 28.753 29.460 -0.885 0.000 1.133 550 W HN 0.485 nan 8.180 nan 0.000 0.521 551 F N -0.970 119.168 119.950 0.314 0.000 2.584 551 F HA 0.307 4.833 4.527 -0.001 0.000 0.328 551 F C 0.492 176.439 175.800 0.245 0.000 1.407 551 F CA -0.614 57.551 58.000 0.275 0.000 1.145 551 F CB -0.167 38.951 39.000 0.197 0.000 1.440 551 F HN -0.407 nan 8.300 nan 0.000 0.580 552 V N 0.245 120.370 119.914 0.352 0.000 2.908 552 V HA 0.595 4.714 4.120 -0.001 0.000 0.240 552 V C 0.924 177.163 176.094 0.242 0.000 1.117 552 V CA 0.803 63.256 62.300 0.255 0.000 1.133 552 V CB 0.521 32.473 31.823 0.214 0.000 0.857 552 V HN 0.466 nan 8.190 nan 0.000 0.478 553 A N -0.898 122.024 122.820 0.169 0.000 2.610 553 A HA 0.758 5.077 4.320 -0.001 0.000 0.291 553 A C -0.288 176.947 177.584 -0.581 0.000 1.086 553 A CA 0.099 52.077 52.037 -0.099 0.000 0.677 553 A CB 1.054 19.850 19.000 -0.340 0.000 1.278 553 A HN 0.359 nan 8.150 nan 0.000 0.414 554 G N -1.212 106.995 108.800 -0.987 0.000 2.400 554 G HA2 0.544 4.503 3.960 -0.001 0.000 0.301 554 G HA3 0.544 4.503 3.960 -0.001 0.000 0.301 554 G C -0.888 173.353 174.900 -1.098 0.000 1.154 554 G CA -0.094 44.048 45.100 -1.596 0.000 0.852 554 G HN 0.619 nan 8.290 nan 0.000 0.511 555 Y N 0.483 120.573 120.300 -0.350 0.000 2.809 555 Y HA 0.287 4.836 4.550 -0.001 0.000 0.251 555 Y C 1.253 177.100 175.900 -0.089 0.000 1.136 555 Y CA -0.926 57.089 58.100 -0.142 0.000 1.185 555 Y CB 0.418 38.846 38.460 -0.053 0.000 1.260 555 Y HN 0.509 nan 8.280 nan 0.000 0.576 556 S N 0.681 116.367 115.700 -0.023 0.000 2.544 556 S HA 0.355 4.824 4.470 -0.001 0.000 0.290 556 S C 1.425 176.062 174.600 0.062 0.000 1.276 556 S CA 1.467 59.685 58.200 0.030 0.000 1.075 556 S CB 0.085 63.298 63.200 0.021 0.000 0.849 556 S HN 1.057 nan 8.310 nan 0.000 0.494 557 G N 3.571 112.413 108.800 0.069 0.000 2.199 557 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.254 557 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.254 557 G C 0.843 175.793 174.900 0.084 0.000 0.982 557 G CA 0.333 45.479 45.100 0.077 0.000 0.632 557 G HN 1.340 nan 8.290 nan 0.000 0.529 558 G N -0.134 108.724 108.800 0.097 0.000 3.042 558 G HA2 0.393 4.352 3.960 -0.001 0.000 0.212 558 G HA3 0.393 4.352 3.960 -0.001 0.000 0.212 558 G C 0.483 175.431 174.900 0.080 0.000 1.166 558 G CA 1.182 46.355 45.100 0.121 0.000 0.767 558 G HN 1.338 nan 8.290 nan 0.000 0.546 559 D N -0.575 119.845 120.400 0.033 0.000 2.716 559 D HA -0.158 4.481 4.640 -0.001 0.000 0.239 559 D C -0.256 176.022 176.300 -0.037 0.000 1.125 559 D CA 0.285 54.280 54.000 -0.009 0.000 0.681 559 D CB -1.291 39.508 40.800 -0.002 0.000 1.070 559 D HN 0.103 nan 8.370 nan 0.000 0.432 560 I N 1.444 121.977 120.570 -0.063 0.000 2.404 560 I HA 0.359 4.528 4.170 -0.001 0.000 0.293 560 I C -0.132 175.903 176.117 -0.137 0.000 0.992 560 I CA -0.842 60.357 61.300 -0.169 0.000 1.149 560 I CB 1.246 39.005 38.000 -0.401 0.000 1.315 560 I HN 0.122 nan 8.210 nan 0.000 0.446 561 Y N 5.980 126.097 120.300 -0.304 0.000 2.341 561 Y HA 0.361 4.910 4.550 -0.001 0.000 0.338 561 Y C -0.358 175.316 175.900 -0.378 0.000 0.965 561 Y CA -0.564 57.351 58.100 -0.309 0.000 1.108 561 Y CB 0.811 39.131 38.460 -0.233 0.000 1.180 561 Y HN 0.533 nan 8.280 nan 0.000 0.458 562 H N 6.119 124.518 119.070 -1.117 0.000 2.690 562 H HA 0.315 4.870 4.556 -0.001 0.000 0.280 562 H C -0.058 174.647 175.328 -1.039 0.000 1.138 562 H CA -0.090 55.314 56.048 -1.073 0.000 1.241 562 H CB 0.635 29.468 29.762 -1.549 0.000 1.394 562 H HN 0.876 nan 8.280 nan 0.000 0.489 563 S N 0.000 115.266 115.700 -0.723 0.000 2.498 563 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 563 S CA 0.000 57.937 58.200 -0.438 0.000 1.107 563 S CB 0.000 63.072 63.200 -0.213 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517