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 3h2l_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.565 174.600 -0.058 0.000 1.055 1 S CA 0.000 58.175 58.200 -0.043 0.000 1.107 1 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 2 M N 3.101 122.658 119.600 -0.071 0.000 2.219 2 M HA 0.269 4.749 4.480 0.000 0.000 0.353 2 M C 1.924 178.100 176.300 -0.206 0.000 1.304 2 M CA -0.003 55.237 55.300 -0.099 0.000 1.115 2 M CB 0.570 33.129 32.600 -0.069 0.000 1.664 2 M HN 1.059 nan 8.290 nan 0.000 0.459 3 S N 3.078 118.587 115.700 -0.320 0.000 2.387 3 S HA -0.145 4.325 4.470 0.000 0.000 0.230 3 S C 0.125 174.260 174.600 -0.776 0.000 1.035 3 S CA 1.181 59.050 58.200 -0.552 0.000 1.014 3 S CB -0.282 62.508 63.200 -0.685 0.000 0.836 3 S HN 0.651 nan 8.310 nan 0.000 0.466 4 Y N -0.423 119.687 120.300 -0.317 0.000 2.571 4 Y HA 0.565 5.116 4.550 0.000 0.000 0.341 4 Y C -0.230 175.325 175.900 -0.576 0.000 1.076 4 Y CA -1.046 56.724 58.100 -0.549 0.000 1.029 4 Y CB 1.922 39.825 38.460 -0.928 0.000 1.308 4 Y HN -0.158 nan 8.280 nan 0.000 0.461 5 T N 1.467 115.752 114.554 -0.449 0.000 2.841 5 T HA 0.436 4.786 4.350 0.000 0.000 0.283 5 T C -1.377 173.051 174.700 -0.453 0.000 1.000 5 T CA -0.750 61.147 62.100 -0.337 0.000 0.977 5 T CB 0.580 69.380 68.868 -0.113 0.000 0.979 5 T HN 0.456 nan 8.240 nan 0.000 0.446 6 W N 1.212 122.566 121.300 0.090 0.000 2.666 6 W HA 0.387 5.048 4.660 0.000 0.000 0.334 6 W C 1.528 178.074 176.519 0.045 0.000 1.051 6 W CA -0.986 56.394 57.345 0.058 0.000 1.224 6 W CB 1.236 30.715 29.460 0.030 0.000 1.405 6 W HN 0.787 nan 8.180 nan 0.000 0.513 7 T N -1.932 112.806 114.554 0.307 0.000 3.014 7 T HA 0.269 4.619 4.350 0.000 0.000 0.263 7 T C 1.500 176.285 174.700 0.140 0.000 1.078 7 T CA 1.091 63.296 62.100 0.175 0.000 1.135 7 T CB -0.044 68.904 68.868 0.134 0.000 0.895 7 T HN 1.129 nan 8.240 nan 0.000 0.480 8 G N 1.299 110.187 108.800 0.147 0.000 2.278 8 G HA2 0.031 3.991 3.960 0.000 0.000 0.210 8 G HA3 0.031 3.991 3.960 0.000 0.000 0.210 8 G C 0.402 175.323 174.900 0.034 0.000 1.000 8 G CA -0.148 44.994 45.100 0.069 0.000 0.635 8 G HN 1.139 nan 8.290 nan 0.000 0.495 9 A N 1.319 124.171 122.820 0.054 0.000 2.540 9 A HA 0.577 4.897 4.320 0.000 0.000 0.239 9 A C 0.824 178.407 177.584 -0.001 0.000 1.061 9 A CA 0.309 52.365 52.037 0.031 0.000 0.758 9 A CB 0.066 19.094 19.000 0.048 0.000 0.991 9 A HN 0.919 nan 8.150 nan 0.000 0.502 10 L N 2.408 123.619 121.223 -0.020 0.000 2.417 10 L HA 0.240 4.580 4.340 0.000 0.000 0.268 10 L C 0.127 176.970 176.870 -0.045 0.000 1.158 10 L CA -0.262 54.547 54.840 -0.052 0.000 0.819 10 L CB 0.569 42.604 42.059 -0.041 0.000 1.112 10 L HN 0.559 nan 8.230 nan 0.000 0.458 11 I N 1.866 122.389 120.570 -0.078 0.000 2.452 11 I HA 0.081 4.251 4.170 0.000 0.000 0.287 11 I C 0.554 176.656 176.117 -0.025 0.000 1.079 11 I CA 0.152 61.422 61.300 -0.050 0.000 1.387 11 I CB 0.757 38.709 38.000 -0.080 0.000 1.404 11 I HN 0.663 nan 8.210 nan 0.000 0.522 12 T N 4.737 119.289 114.554 -0.003 0.000 2.918 12 T HA 0.646 4.996 4.350 0.000 0.000 0.286 12 T C -2.561 172.152 174.700 0.021 0.000 1.026 12 T CA -2.040 60.064 62.100 0.006 0.000 1.031 12 T CB 1.977 70.848 68.868 0.005 0.000 1.046 12 T HN 0.255 nan 8.240 nan 0.000 0.479 13 P HA 0.424 nan 4.420 nan 0.000 0.280 13 P C 0.086 177.407 177.300 0.035 0.000 1.272 13 P CA -0.743 62.379 63.100 0.035 0.000 0.819 13 P CB 1.014 32.734 31.700 0.035 0.000 1.122 14 C N -0.171 119.154 119.300 0.042 0.000 2.541 14 C HA 0.435 4.895 4.460 0.000 0.000 0.284 14 C C 1.522 176.531 174.990 0.032 0.000 1.341 14 C CA 0.959 59.999 59.018 0.036 0.000 1.732 14 C CB -0.702 27.064 27.740 0.043 0.000 2.126 14 C HN 0.648 nan 8.230 nan 0.000 0.505 15 A N 0.186 123.029 122.820 0.038 0.000 2.312 15 A HA 0.786 5.106 4.320 0.000 0.000 0.310 15 A C -0.122 177.489 177.584 0.044 0.000 1.139 15 A CA 0.139 52.200 52.037 0.039 0.000 0.886 15 A CB -0.040 18.987 19.000 0.044 0.000 1.350 15 A HN 0.550 nan 8.150 nan 0.000 0.479 16 A N -0.223 122.625 122.820 0.047 0.000 2.483 16 A HA 0.483 4.804 4.320 0.000 0.000 0.238 16 A C -0.084 177.542 177.584 0.071 0.000 1.070 16 A CA 0.181 52.251 52.037 0.053 0.000 0.770 16 A CB -0.211 18.820 19.000 0.051 0.000 1.008 16 A HN 0.688 nan 8.150 nan 0.000 0.497 17 E N 1.215 121.461 120.200 0.077 0.000 2.155 17 E HA 0.281 4.631 4.350 0.000 0.000 0.264 17 E C -1.050 175.630 176.600 0.133 0.000 0.886 17 E CA -0.348 56.111 56.400 0.099 0.000 0.752 17 E CB 1.511 31.258 29.700 0.078 0.000 1.133 17 E HN 0.729 nan 8.360 nan 0.000 0.414 18 E N 1.302 121.621 120.200 0.197 0.000 2.289 18 E HA 0.074 4.424 4.350 0.000 0.000 0.278 18 E C 0.445 177.258 176.600 0.356 0.000 1.032 18 E CA -0.065 56.493 56.400 0.263 0.000 0.854 18 E CB 1.191 31.085 29.700 0.323 0.000 1.046 18 E HN 0.543 nan 8.360 nan 0.000 0.409 19 S N 2.696 118.582 115.700 0.311 0.000 2.527 19 S HA 0.068 4.538 4.470 0.000 0.000 0.227 19 S C 0.656 175.528 174.600 0.452 0.000 1.059 19 S CA -0.227 58.182 58.200 0.350 0.000 0.919 19 S CB 0.335 63.678 63.200 0.237 0.000 0.805 19 S HN 0.178 nan 8.310 nan 0.000 0.500 20 K N 1.972 122.555 120.400 0.304 0.000 2.326 20 K HA 0.252 4.572 4.320 0.000 0.000 0.275 20 K C -0.400 176.258 176.600 0.096 0.000 1.018 20 K CA -0.516 55.901 56.287 0.218 0.000 0.962 20 K CB 0.833 33.396 32.500 0.105 0.000 0.953 20 K HN 0.343 nan 8.250 nan 0.000 0.475 21 L N 5.296 126.567 121.223 0.079 0.000 2.534 21 L HA 0.058 4.398 4.340 0.000 0.000 0.271 21 L C -2.254 174.351 176.870 -0.442 0.000 1.178 21 L CA -0.832 53.863 54.840 -0.242 0.000 0.907 21 L CB -0.148 41.921 42.059 0.017 0.000 1.164 21 L HN 0.380 nan 8.230 nan 0.000 0.482 22 P HA 0.242 nan 4.420 nan 0.000 0.271 22 P C -1.046 176.007 177.300 -0.412 0.000 1.216 22 P CA -0.052 62.728 63.100 -0.533 0.000 0.776 22 P CB 0.612 31.926 31.700 -0.643 0.000 0.881 23 I N 2.881 123.273 120.570 -0.297 0.000 2.465 23 I HA 0.403 4.573 4.170 0.000 0.000 0.291 23 I C 0.379 176.384 176.117 -0.187 0.000 1.014 23 I CA -0.693 60.439 61.300 -0.279 0.000 1.093 23 I CB 1.527 39.357 38.000 -0.283 0.000 1.267 23 I HN 0.469 nan 8.210 nan 0.000 0.431 24 N N 4.030 122.633 118.700 -0.161 0.000 3.343 24 N HA 0.448 5.188 4.740 0.000 0.000 0.330 24 N C 0.365 175.828 175.510 -0.078 0.000 1.560 24 N CA -0.479 52.507 53.050 -0.107 0.000 0.752 24 N CB 0.669 39.093 38.487 -0.105 0.000 1.863 24 N HN 0.400 nan 8.380 nan 0.000 0.636 25 A N -0.683 122.102 122.820 -0.057 0.000 2.172 25 A HA 0.137 4.457 4.320 0.000 0.000 0.216 25 A C 1.583 179.147 177.584 -0.034 0.000 1.154 25 A CA 0.816 52.829 52.037 -0.040 0.000 0.701 25 A CB -0.942 18.038 19.000 -0.034 0.000 0.789 25 A HN 0.536 nan 8.150 nan 0.000 0.465 26 L N -1.585 119.614 121.223 -0.041 0.000 2.556 26 L HA 0.043 4.383 4.340 0.000 0.000 0.226 26 L C 2.407 179.294 176.870 0.029 0.000 1.089 26 L CA 0.493 55.325 54.840 -0.014 0.000 0.864 26 L CB -0.130 41.900 42.059 -0.049 0.000 1.067 26 L HN 0.197 nan 8.230 nan 0.000 0.477 27 S N 0.769 116.456 115.700 -0.022 0.000 2.365 27 S HA -0.176 4.294 4.470 0.000 0.000 0.225 27 S C 1.704 176.332 174.600 0.047 0.000 1.039 27 S CA 1.647 59.824 58.200 -0.039 0.000 1.033 27 S CB -0.322 62.757 63.200 -0.201 0.000 0.887 27 S HN 0.456 nan 8.310 nan 0.000 0.447 28 N N 1.451 120.196 118.700 0.076 0.000 2.309 28 N HA -0.046 4.694 4.740 0.000 0.000 0.182 28 N C 1.920 177.450 175.510 0.033 0.000 1.018 28 N CA 1.234 54.347 53.050 0.105 0.000 0.876 28 N CB -0.490 38.046 38.487 0.082 0.000 0.972 28 N HN 0.597 nan 8.380 nan 0.000 0.434 29 S N 0.077 115.789 115.700 0.020 0.000 2.399 29 S HA -0.080 4.390 4.470 0.000 0.000 0.231 29 S C 1.884 176.483 174.600 -0.002 0.000 1.022 29 S CA 0.548 58.734 58.200 -0.023 0.000 0.983 29 S CB -0.301 62.903 63.200 0.007 0.000 0.803 29 S HN 0.205 nan 8.310 nan 0.000 0.480 30 L N 0.165 121.408 121.223 0.033 0.000 2.168 30 L HA 0.564 4.905 4.340 0.000 0.000 0.203 30 L C 0.284 177.211 176.870 0.094 0.000 1.078 30 L CA 1.052 55.915 54.840 0.038 0.000 0.780 30 L CB 0.019 41.889 42.059 -0.314 0.000 0.939 30 L HN 0.531 nan 8.230 nan 0.000 0.451 31 L N -1.261 120.002 121.223 0.067 0.000 2.588 31 L HA 0.363 4.703 4.340 0.000 0.000 0.263 31 L C 0.315 177.230 176.870 0.075 0.000 0.935 31 L CA -0.527 54.349 54.840 0.060 0.000 0.891 31 L CB 1.169 43.283 42.059 0.093 0.000 1.318 31 L HN -0.112 nan 8.230 nan 0.000 0.409 32 R N 1.389 121.804 120.500 -0.143 0.000 2.156 32 R HA 0.135 4.475 4.340 0.000 0.000 0.207 32 R C 0.052 176.100 176.300 -0.420 0.000 1.040 32 R CA 0.645 56.565 56.100 -0.301 0.000 1.013 32 R CB -0.084 30.022 30.300 -0.323 0.000 0.931 32 R HN 0.678 nan 8.270 nan 0.000 0.465 33 H N 0.589 119.582 119.070 -0.129 0.000 2.799 33 H HA 0.140 4.696 4.556 0.000 0.000 0.225 33 H C 0.662 176.004 175.328 0.023 0.000 1.904 33 H CA -0.255 55.736 56.048 -0.094 0.000 1.344 33 H CB -0.199 29.553 29.762 -0.017 0.000 1.744 33 H HN 0.351 nan 8.280 nan 0.000 0.542 34 H N 0.839 119.995 119.070 0.144 0.000 2.387 34 H HA -0.183 4.373 4.556 0.000 0.000 0.299 34 H C 2.011 177.416 175.328 0.127 0.000 1.099 34 H CA 1.057 57.169 56.048 0.105 0.000 1.315 34 H CB 0.282 30.080 29.762 0.060 0.000 1.380 34 H HN 0.607 nan 8.280 nan 0.000 0.513 35 N N 0.908 119.738 118.700 0.216 0.000 2.550 35 N HA -0.110 4.630 4.740 0.000 0.000 0.186 35 N C 1.297 176.912 175.510 0.175 0.000 1.110 35 N CA 0.704 53.855 53.050 0.168 0.000 0.912 35 N CB -0.115 38.434 38.487 0.103 0.000 0.968 35 N HN 0.308 nan 8.380 nan 0.000 0.448 36 M N 0.201 119.918 119.600 0.196 0.000 2.419 36 M HA 0.134 4.614 4.480 0.000 0.000 0.264 36 M C 0.114 176.583 176.300 0.282 0.000 1.082 36 M CA 0.278 55.702 55.300 0.206 0.000 1.119 36 M CB -0.199 32.515 32.600 0.190 0.000 1.398 36 M HN -0.090 nan 8.290 nan 0.000 0.453 37 V N 1.553 121.640 119.914 0.289 0.000 2.439 37 V HA 0.288 4.409 4.120 0.000 0.000 0.282 37 V C -0.625 175.716 176.094 0.411 0.000 1.039 37 V CA -0.754 61.728 62.300 0.304 0.000 0.913 37 V CB 0.600 32.584 31.823 0.268 0.000 0.983 37 V HN 0.394 nan 8.190 nan 0.000 0.460 38 Y N 2.467 122.916 120.300 0.248 0.000 2.588 38 Y HA 0.907 5.457 4.550 0.000 0.000 0.343 38 Y C -0.437 175.533 175.900 0.118 0.000 1.065 38 Y CA -1.475 56.774 58.100 0.247 0.000 1.038 38 Y CB 1.531 40.100 38.460 0.183 0.000 1.297 38 Y HN 0.706 nan 8.280 nan 0.000 0.467 39 A N 1.705 124.572 122.820 0.079 0.000 2.337 39 A HA 0.666 4.986 4.320 0.000 0.000 0.329 39 A C 0.013 177.661 177.584 0.107 0.000 1.146 39 A CA -0.359 51.531 52.037 -0.246 0.000 0.800 39 A CB 0.399 18.988 19.000 -0.684 0.000 1.220 39 A HN 1.106 nan 8.150 nan 0.000 0.472 40 T N 0.124 114.731 114.554 0.089 0.000 2.926 40 T HA 0.512 4.863 4.350 0.000 0.000 0.307 40 T C 0.403 175.155 174.700 0.086 0.000 1.059 40 T CA 0.457 62.667 62.100 0.182 0.000 1.122 40 T CB 0.547 69.535 68.868 0.201 0.000 0.972 40 T HN 1.450 nan 8.240 nan 0.000 0.545 41 T N -1.848 112.763 114.554 0.095 0.000 2.865 41 T HA 0.488 4.838 4.350 0.000 0.000 0.294 41 T C 1.444 176.172 174.700 0.047 0.000 1.119 41 T CA -0.250 61.889 62.100 0.064 0.000 1.007 41 T CB 1.359 70.270 68.868 0.072 0.000 1.225 41 T HN 0.823 nan 8.240 nan 0.000 0.515 42 S N 0.381 116.102 115.700 0.034 0.000 2.440 42 S HA -0.174 4.297 4.470 0.000 0.000 0.240 42 S C 1.847 176.447 174.600 0.001 0.000 1.014 42 S CA 0.731 58.940 58.200 0.015 0.000 0.980 42 S CB -0.615 62.593 63.200 0.014 0.000 0.775 42 S HN 0.670 nan 8.310 nan 0.000 0.499 43 R N 1.846 122.354 120.500 0.013 0.000 2.237 43 R HA 0.088 4.428 4.340 0.000 0.000 0.219 43 R C 2.276 178.572 176.300 -0.007 0.000 1.080 43 R CA 1.118 57.220 56.100 0.003 0.000 0.995 43 R CB -0.595 29.715 30.300 0.016 0.000 0.875 43 R HN 0.741 nan 8.270 nan 0.000 0.462 44 S N -1.843 113.859 115.700 0.002 0.000 2.557 44 S HA 0.288 4.758 4.470 0.000 0.000 0.223 44 S C 1.665 176.248 174.600 -0.028 0.000 0.969 44 S CA 0.102 58.298 58.200 -0.006 0.000 0.927 44 S CB 0.739 63.952 63.200 0.021 0.000 0.806 44 S HN 0.202 nan 8.310 nan 0.000 0.489 45 A N 1.866 124.657 122.820 -0.048 0.000 1.972 45 A HA 0.236 4.556 4.320 0.000 0.000 0.219 45 A C 2.224 179.712 177.584 -0.160 0.000 1.169 45 A CA 1.358 53.341 52.037 -0.090 0.000 0.635 45 A CB -1.565 17.374 19.000 -0.103 0.000 0.810 45 A HN 0.661 nan 8.150 nan 0.000 0.446 46 G N 0.055 108.761 108.800 -0.157 0.000 2.442 46 G HA2 -0.201 3.760 3.960 0.000 0.000 0.219 46 G HA3 -0.201 3.760 3.960 0.000 0.000 0.219 46 G C 1.498 176.313 174.900 -0.142 0.000 1.141 46 G CA 1.065 46.050 45.100 -0.192 0.000 0.763 46 G HN 0.453 nan 8.290 nan 0.000 0.554 47 L N -0.342 120.831 121.223 -0.083 0.000 2.083 47 L HA -0.021 4.319 4.340 0.000 0.000 0.209 47 L C 2.900 179.752 176.870 -0.031 0.000 1.083 47 L CA 1.293 56.106 54.840 -0.045 0.000 0.752 47 L CB -0.346 41.697 42.059 -0.025 0.000 0.899 47 L HN 0.183 nan 8.230 nan 0.000 0.433 48 R N 0.403 120.877 120.500 -0.043 0.000 2.073 48 R HA -0.120 4.220 4.340 0.000 0.000 0.229 48 R C 2.254 178.539 176.300 -0.026 0.000 1.120 48 R CA 1.309 57.401 56.100 -0.012 0.000 0.967 48 R CB -0.289 30.008 30.300 -0.006 0.000 0.862 48 R HN 0.314 nan 8.270 nan 0.000 0.436 49 Q N 0.312 120.019 119.800 -0.155 0.000 2.096 49 Q HA -0.268 4.073 4.340 0.000 0.000 0.208 49 Q C 1.978 177.981 176.000 0.005 0.000 0.993 49 Q CA 2.294 57.949 55.803 -0.246 0.000 0.862 49 Q CB -0.248 28.042 28.738 -0.747 0.000 0.915 49 Q HN 0.308 nan 8.270 nan 0.000 0.416 50 K N 1.029 121.421 120.400 -0.013 0.000 2.044 50 K HA -0.240 4.081 4.320 0.000 0.000 0.210 50 K C 1.840 178.537 176.600 0.163 0.000 1.049 50 K CA 1.790 58.126 56.287 0.081 0.000 0.927 50 K CB 0.048 32.571 32.500 0.039 0.000 0.713 50 K HN 0.045 nan 8.250 nan 0.000 0.443 51 K N 0.127 120.614 120.400 0.146 0.000 2.057 51 K HA -0.088 4.232 4.320 0.000 0.000 0.206 51 K C 1.884 178.692 176.600 0.345 0.000 1.050 51 K CA 1.468 57.874 56.287 0.199 0.000 0.935 51 K CB 0.029 32.614 32.500 0.142 0.000 0.715 51 K HN 0.218 nan 8.250 nan 0.000 0.439 52 V N -1.456 118.649 119.914 0.318 0.000 3.623 52 V HA 0.048 4.168 4.120 0.000 0.000 0.271 52 V C 0.337 176.587 176.094 0.261 0.000 1.248 52 V CA 0.261 62.776 62.300 0.359 0.000 1.156 52 V CB -0.202 31.813 31.823 0.319 0.000 0.870 52 V HN -0.024 nan 8.190 nan 0.000 0.453 53 T N 4.404 119.169 114.554 0.351 0.000 2.781 53 T HA 0.704 5.054 4.350 0.000 0.000 0.305 53 T C -0.726 174.138 174.700 0.274 0.000 1.001 53 T CA -0.034 62.238 62.100 0.285 0.000 0.950 53 T CB 0.030 69.177 68.868 0.465 0.000 0.955 53 T HN 0.616 nan 8.240 nan 0.000 0.471 54 F N -0.236 119.799 119.950 0.142 0.000 2.741 54 F HA 0.679 5.206 4.527 0.000 0.000 0.313 54 F C -0.949 174.874 175.800 0.037 0.000 1.153 54 F CA -1.705 56.343 58.000 0.081 0.000 0.931 54 F CB 0.772 39.814 39.000 0.071 0.000 1.335 54 F HN 0.191 nan 8.300 nan 0.000 0.460 55 D N 0.644 121.211 120.400 0.279 0.000 2.302 55 D HA 0.471 5.111 4.640 0.000 0.000 0.248 55 D C -0.921 175.515 176.300 0.227 0.000 1.094 55 D CA 0.003 54.095 54.000 0.153 0.000 0.897 55 D CB 0.895 41.756 40.800 0.101 0.000 1.200 55 D HN 0.555 nan 8.370 nan 0.000 0.429 56 R N 2.178 122.745 120.500 0.112 0.000 2.445 56 R HA 0.589 4.930 4.340 0.000 0.000 0.308 56 R C -0.834 175.493 176.300 0.045 0.000 0.961 56 R CA -0.525 55.639 56.100 0.107 0.000 0.862 56 R CB 1.194 31.527 30.300 0.054 0.000 1.144 56 R HN 0.393 nan 8.270 nan 0.000 0.447 57 L N 1.803 123.049 121.223 0.039 0.000 2.334 57 L HA 0.581 4.921 4.340 0.000 0.000 0.273 57 L C -0.394 176.474 176.870 -0.004 0.000 1.013 57 L CA -0.760 54.085 54.840 0.008 0.000 0.816 57 L CB 2.036 44.098 42.059 0.004 0.000 1.278 57 L HN 0.459 nan 8.230 nan 0.000 0.431 58 Q N 1.466 121.252 119.800 -0.023 0.000 2.268 58 Q HA 0.535 4.875 4.340 0.000 0.000 0.266 58 Q C -1.920 174.051 176.000 -0.049 0.000 1.006 58 Q CA -0.439 55.342 55.803 -0.037 0.000 0.824 58 Q CB 3.001 31.699 28.738 -0.066 0.000 1.306 58 Q HN 0.407 nan 8.270 nan 0.000 0.424 59 V N 5.546 125.440 119.914 -0.033 0.000 2.380 59 V HA 0.435 4.556 4.120 0.000 0.000 0.286 59 V C -0.738 175.358 176.094 0.003 0.000 1.015 59 V CA -0.503 61.779 62.300 -0.030 0.000 0.834 59 V CB 1.366 33.171 31.823 -0.030 0.000 1.009 59 V HN 0.675 nan 8.190 nan 0.000 0.428 60 L N 5.660 126.844 121.223 -0.066 0.000 2.296 60 L HA 0.673 5.013 4.340 0.000 0.000 0.286 60 L C -0.197 176.686 176.870 0.021 0.000 1.023 60 L CA -0.547 54.217 54.840 -0.127 0.000 0.812 60 L CB 1.627 43.422 42.059 -0.439 0.000 1.223 60 L HN 0.666 nan 8.230 nan 0.000 0.421 61 D N 0.288 120.775 120.400 0.145 0.000 2.592 61 D HA 0.158 4.798 4.640 0.000 0.000 0.259 61 D C 0.264 176.629 176.300 0.108 0.000 1.144 61 D CA -0.653 53.415 54.000 0.113 0.000 1.080 61 D CB 0.843 41.715 40.800 0.120 0.000 1.225 61 D HN 0.352 nan 8.370 nan 0.000 0.619 62 D N -0.992 119.408 120.400 0.001 0.000 2.104 62 D HA -0.182 4.458 4.640 0.000 0.000 0.194 62 D C 1.741 178.042 176.300 0.001 0.000 0.994 62 D CA 1.269 55.246 54.000 -0.039 0.000 0.830 62 D CB -0.120 40.607 40.800 -0.123 0.000 0.959 62 D HN 0.427 nan 8.370 nan 0.000 0.452 63 H N -0.165 118.964 119.070 0.099 0.000 2.353 63 H HA -0.184 4.372 4.556 0.000 0.000 0.298 63 H C 2.062 177.420 175.328 0.049 0.000 1.103 63 H CA 1.127 57.225 56.048 0.083 0.000 1.293 63 H CB -0.848 28.989 29.762 0.125 0.000 1.372 63 H HN 0.360 nan 8.280 nan 0.000 0.501 64 Y N 1.915 122.248 120.300 0.054 0.000 2.097 64 Y HA -0.227 4.323 4.550 0.000 0.000 0.282 64 Y C 2.697 178.544 175.900 -0.087 0.000 1.152 64 Y CA 1.718 59.726 58.100 -0.152 0.000 1.136 64 Y CB -0.124 38.154 38.460 -0.304 0.000 0.975 64 Y HN -0.036 nan 8.280 nan 0.000 0.498 65 R N 0.070 120.602 120.500 0.052 0.000 2.115 65 R HA -0.140 4.200 4.340 0.000 0.000 0.230 65 R C 1.759 178.017 176.300 -0.071 0.000 1.111 65 R CA 1.329 57.412 56.100 -0.028 0.000 0.976 65 R CB -0.328 30.009 30.300 0.062 0.000 0.870 65 R HN 0.426 nan 8.270 nan 0.000 0.445 66 D N 0.257 120.642 120.400 -0.025 0.000 2.084 66 D HA -0.127 4.513 4.640 0.000 0.000 0.194 66 D C 2.001 178.276 176.300 -0.041 0.000 0.990 66 D CA 1.159 55.153 54.000 -0.010 0.000 0.826 66 D CB -0.258 40.570 40.800 0.047 0.000 0.971 66 D HN -0.008 nan 8.370 nan 0.000 0.453 67 V N 1.197 121.067 119.914 -0.075 0.000 2.343 67 V HA -0.205 3.916 4.120 0.000 0.000 0.247 67 V C 2.487 178.506 176.094 -0.124 0.000 1.051 67 V CA 1.006 63.250 62.300 -0.093 0.000 1.036 67 V CB -0.488 31.253 31.823 -0.136 0.000 0.654 67 V HN 0.125 nan 8.190 nan 0.000 0.451 68 L N 0.636 121.714 121.223 -0.241 0.000 2.042 68 L HA -0.211 4.129 4.340 0.000 0.000 0.210 68 L C 2.427 179.224 176.870 -0.121 0.000 1.076 68 L CA 2.350 57.050 54.840 -0.235 0.000 0.749 68 L CB -0.858 40.987 42.059 -0.356 0.000 0.893 68 L HN 0.303 nan 8.230 nan 0.000 0.432 69 K N -0.434 119.912 120.400 -0.090 0.000 2.032 69 K HA -0.244 4.076 4.320 0.000 0.000 0.209 69 K C 1.957 178.537 176.600 -0.034 0.000 1.048 69 K CA 2.090 58.347 56.287 -0.050 0.000 0.927 69 K CB -0.191 32.290 32.500 -0.033 0.000 0.712 69 K HN 0.510 nan 8.250 nan 0.000 0.441 70 E N 0.183 120.369 120.200 -0.024 0.000 2.058 70 E HA -0.232 4.118 4.350 0.000 0.000 0.194 70 E C 2.107 178.703 176.600 -0.007 0.000 0.997 70 E CA 1.986 58.383 56.400 -0.005 0.000 0.801 70 E CB -0.133 29.577 29.700 0.016 0.000 0.746 70 E HN 0.370 nan 8.360 nan 0.000 0.450 71 M N 0.503 120.097 119.600 -0.011 0.000 2.117 71 M HA -0.182 4.298 4.480 0.000 0.000 0.262 71 M C 2.121 178.394 176.300 -0.045 0.000 1.065 71 M CA 1.489 56.775 55.300 -0.024 0.000 1.114 71 M CB -0.155 32.432 32.600 -0.022 0.000 1.361 71 M HN -0.043 nan 8.290 nan 0.000 0.408 72 K N 0.267 120.638 120.400 -0.047 0.000 2.097 72 K HA -0.034 4.286 4.320 0.000 0.000 0.205 72 K C 2.162 178.744 176.600 -0.029 0.000 1.050 72 K CA 1.264 57.526 56.287 -0.042 0.000 0.938 72 K CB -0.249 32.226 32.500 -0.043 0.000 0.718 72 K HN 0.289 nan 8.250 nan 0.000 0.442 73 A N 2.231 125.037 122.820 -0.024 0.000 1.908 73 A HA -0.205 4.115 4.320 0.000 0.000 0.218 73 A C 1.920 179.493 177.584 -0.020 0.000 1.181 73 A CA 1.517 53.544 52.037 -0.017 0.000 0.627 73 A CB -0.254 18.739 19.000 -0.012 0.000 0.818 73 A HN 0.158 nan 8.150 nan 0.000 0.445 74 K N -0.411 119.974 120.400 -0.026 0.000 2.025 74 K HA -0.047 4.273 4.320 0.000 0.000 0.207 74 K C 2.329 178.905 176.600 -0.040 0.000 1.049 74 K CA 1.112 57.378 56.287 -0.035 0.000 0.933 74 K CB -0.447 32.025 32.500 -0.047 0.000 0.714 74 K HN 0.429 nan 8.250 nan 0.000 0.438 75 A N 2.043 124.837 122.820 -0.042 0.000 1.978 75 A HA -0.194 4.126 4.320 0.000 0.000 0.220 75 A C 2.242 179.816 177.584 -0.017 0.000 1.170 75 A CA 2.260 54.278 52.037 -0.032 0.000 0.636 75 A CB -0.688 18.295 19.000 -0.027 0.000 0.810 75 A HN 0.444 nan 8.150 nan 0.000 0.448 76 S N -0.356 115.335 115.700 -0.015 0.000 2.474 76 S HA -0.139 4.331 4.470 0.000 0.000 0.235 76 S C 1.720 176.315 174.600 -0.008 0.000 0.997 76 S CA 1.721 59.917 58.200 -0.007 0.000 0.949 76 S CB -1.209 61.987 63.200 -0.007 0.000 0.766 76 S HN 0.848 nan 8.310 nan 0.000 0.517 77 T N -0.650 113.895 114.554 -0.014 0.000 3.113 77 T HA 0.240 4.590 4.350 0.000 0.000 0.256 77 T C 0.454 175.145 174.700 -0.015 0.000 1.131 77 T CA -0.114 61.977 62.100 -0.014 0.000 1.074 77 T CB -0.480 68.377 68.868 -0.018 0.000 0.944 77 T HN 0.177 nan 8.240 nan 0.000 0.516 78 V N 2.252 122.156 119.914 -0.017 0.000 2.432 78 V HA 0.362 4.482 4.120 0.000 0.000 0.271 78 V C 0.153 176.243 176.094 -0.007 0.000 1.046 78 V CA -0.841 61.447 62.300 -0.019 0.000 0.945 78 V CB 1.063 32.870 31.823 -0.026 0.000 0.992 78 V HN 0.391 nan 8.190 nan 0.000 0.471 79 K N 4.252 124.648 120.400 -0.007 0.000 2.265 79 K HA 0.750 5.071 4.320 0.000 0.000 0.267 79 K C -0.507 176.092 176.600 -0.001 0.000 0.994 79 K CA -0.367 55.920 56.287 0.000 0.000 0.860 79 K CB 1.341 33.843 32.500 0.002 0.000 1.099 79 K HN 0.803 nan 8.250 nan 0.000 0.448 80 A N 3.989 126.813 122.820 0.006 0.000 2.374 80 A HA 0.521 4.841 4.320 0.000 0.000 0.317 80 A C -1.259 176.337 177.584 0.020 0.000 1.094 80 A CA -0.946 51.094 52.037 0.006 0.000 0.765 80 A CB 0.992 19.991 19.000 -0.002 0.000 1.268 80 A HN 0.847 nan 8.150 nan 0.000 0.438 81 K N 1.018 121.433 120.400 0.025 0.000 2.156 81 K HA 0.725 5.045 4.320 0.000 0.000 0.250 81 K C -1.078 175.545 176.600 0.039 0.000 0.955 81 K CA -0.733 55.572 56.287 0.030 0.000 0.855 81 K CB 1.309 33.823 32.500 0.024 0.000 1.101 81 K HN 0.351 nan 8.250 nan 0.000 0.434 82 L N 2.872 124.114 121.223 0.032 0.000 2.367 82 L HA 0.212 4.552 4.340 0.000 0.000 0.275 82 L C -0.872 175.978 176.870 -0.034 0.000 1.129 82 L CA -0.353 54.493 54.840 0.011 0.000 0.839 82 L CB 0.514 42.580 42.059 0.010 0.000 1.133 82 L HN 0.627 nan 8.230 nan 0.000 0.453 83 L N 3.547 124.734 121.223 -0.061 0.000 2.371 83 L HA 0.367 4.708 4.340 0.000 0.000 0.272 83 L C 0.548 177.307 176.870 -0.184 0.000 1.124 83 L CA 0.305 55.090 54.840 -0.091 0.000 0.816 83 L CB 1.250 43.263 42.059 -0.076 0.000 1.129 83 L HN 0.828 nan 8.230 nan 0.000 0.448 84 S N 1.616 117.222 115.700 -0.156 0.000 2.593 84 S HA 0.193 4.663 4.470 0.000 0.000 0.269 84 S C 1.395 175.858 174.600 -0.227 0.000 1.334 84 S CA -0.676 57.413 58.200 -0.184 0.000 1.015 84 S CB 0.824 63.955 63.200 -0.116 0.000 0.912 84 S HN 0.351 nan 8.310 nan 0.000 0.541 85 V N 2.391 122.140 119.914 -0.275 0.000 2.250 85 V HA -0.260 3.860 4.120 0.000 0.000 0.250 85 V C 2.618 178.592 176.094 -0.199 0.000 1.060 85 V CA 2.642 64.761 62.300 -0.301 0.000 1.030 85 V CB -1.476 30.099 31.823 -0.414 0.000 0.643 85 V HN 0.937 nan 8.190 nan 0.000 0.445 86 E N 0.043 120.156 120.200 -0.144 0.000 2.085 86 E HA -0.231 4.119 4.350 0.000 0.000 0.194 86 E C 2.125 178.658 176.600 -0.112 0.000 0.994 86 E CA 1.530 57.865 56.400 -0.108 0.000 0.801 86 E CB -0.357 29.298 29.700 -0.075 0.000 0.743 86 E HN 0.681 nan 8.360 nan 0.000 0.453 87 E N 0.286 120.415 120.200 -0.119 0.000 2.058 87 E HA -0.209 4.141 4.350 0.000 0.000 0.194 87 E C 2.079 178.579 176.600 -0.168 0.000 0.997 87 E CA 1.145 57.470 56.400 -0.125 0.000 0.801 87 E CB -0.194 29.440 29.700 -0.111 0.000 0.746 87 E HN 0.320 nan 8.360 nan 0.000 0.450 88 A N 0.455 123.167 122.820 -0.180 0.000 1.930 88 A HA -0.180 4.140 4.320 0.000 0.000 0.217 88 A C 2.401 179.883 177.584 -0.170 0.000 1.175 88 A CA 1.107 53.027 52.037 -0.195 0.000 0.627 88 A CB -0.769 18.125 19.000 -0.176 0.000 0.815 88 A HN 0.380 nan 8.150 nan 0.000 0.443 89 C N -0.245 118.969 119.300 -0.144 0.000 2.413 89 C HA -0.064 4.396 4.460 0.000 0.000 0.277 89 C C 2.521 177.443 174.990 -0.115 0.000 1.265 89 C CA 1.218 60.166 59.018 -0.116 0.000 1.752 89 C CB -0.731 26.946 27.740 -0.105 0.000 1.998 89 C HN 0.462 nan 8.230 nan 0.000 0.489 90 K N 0.740 121.072 120.400 -0.113 0.000 2.439 90 K HA 0.113 4.433 4.320 0.000 0.000 0.197 90 K C 1.430 177.979 176.600 -0.085 0.000 1.041 90 K CA 0.750 56.986 56.287 -0.084 0.000 0.970 90 K CB -0.360 32.100 32.500 -0.067 0.000 0.773 90 K HN 0.542 nan 8.250 nan 0.000 0.479 91 L N 0.746 121.871 121.223 -0.162 0.000 2.591 91 L HA 0.024 4.364 4.340 0.000 0.000 0.228 91 L C 0.347 177.106 176.870 -0.184 0.000 1.133 91 L CA 0.171 54.878 54.840 -0.222 0.000 0.880 91 L CB -0.061 41.750 42.059 -0.412 0.000 1.033 91 L HN -0.126 nan 8.230 nan 0.000 0.450 92 T N 1.698 116.155 114.554 -0.162 0.000 2.794 92 T HA 0.211 4.561 4.350 0.000 0.000 0.296 92 T C -2.310 172.214 174.700 -0.293 0.000 0.949 92 T CA -1.133 60.853 62.100 -0.191 0.000 1.101 92 T CB 1.021 69.799 68.868 -0.150 0.000 0.905 92 T HN -0.152 nan 8.240 nan 0.000 0.516 93 P HA 0.109 nan 4.420 nan 0.000 0.265 93 P C -1.874 175.084 177.300 -0.571 0.000 1.193 93 P CA -1.259 61.492 63.100 -0.582 0.000 0.765 93 P CB 0.176 31.470 31.700 -0.676 0.000 0.823 94 P HA -0.180 nan 4.420 nan 0.000 0.219 94 P C 0.782 177.979 177.300 -0.171 0.000 1.146 94 P CA 1.668 64.576 63.100 -0.320 0.000 0.808 94 P CB -0.434 31.104 31.700 -0.270 0.000 0.779 95 H N -4.213 114.741 119.070 -0.192 0.000 2.551 95 H HA 0.363 4.919 4.556 0.000 0.000 0.271 95 H C 0.841 176.098 175.328 -0.119 0.000 0.984 95 H CA -0.379 55.593 56.048 -0.126 0.000 1.164 95 H CB -0.539 29.163 29.762 -0.101 0.000 1.437 95 H HN -0.145 nan 8.280 nan 0.000 0.550 96 S N 0.796 116.226 115.700 -0.451 0.000 2.558 96 S HA 0.264 4.734 4.470 0.000 0.000 0.287 96 S C 0.762 175.254 174.600 -0.179 0.000 1.321 96 S CA -0.216 57.779 58.200 -0.342 0.000 1.048 96 S CB -0.097 62.919 63.200 -0.306 0.000 0.844 96 S HN 0.703 nan 8.310 nan 0.000 0.512 97 A N 4.428 127.149 122.820 -0.165 0.000 2.520 97 A HA 0.271 4.592 4.320 0.000 0.000 0.245 97 A C 0.549 178.104 177.584 -0.048 0.000 1.072 97 A CA -0.243 51.745 52.037 -0.082 0.000 0.761 97 A CB -0.159 18.802 19.000 -0.064 0.000 1.004 97 A HN 0.868 nan 8.150 nan 0.000 0.499 98 K N 2.110 122.479 120.400 -0.052 0.000 2.276 98 K HA 0.303 4.623 4.320 0.000 0.000 0.259 98 K C 0.340 176.855 176.600 -0.142 0.000 1.001 98 K CA 0.003 56.228 56.287 -0.103 0.000 0.927 98 K CB 0.370 32.811 32.500 -0.099 0.000 0.969 98 K HN 0.421 nan 8.250 nan 0.000 0.490 99 S N 0.243 115.749 115.700 -0.323 0.000 2.576 99 S HA 0.051 4.521 4.470 0.000 0.000 0.276 99 S C 0.669 175.083 174.600 -0.309 0.000 1.339 99 S CA -0.509 57.471 58.200 -0.367 0.000 1.039 99 S CB 0.663 63.313 63.200 -0.917 0.000 0.902 99 S HN 0.688 nan 8.310 nan 0.000 0.516 100 K N 2.220 122.435 120.400 -0.308 0.000 2.442 100 K HA 0.003 4.323 4.320 0.000 0.000 0.198 100 K C -0.145 176.021 176.600 -0.723 0.000 1.042 100 K CA 1.064 57.026 56.287 -0.542 0.000 0.958 100 K CB -0.097 31.961 32.500 -0.737 0.000 0.766 100 K HN 0.608 nan 8.250 nan 0.000 0.474 101 F N -0.306 119.464 119.950 -0.300 0.000 2.850 101 F HA 0.271 4.798 4.527 0.000 0.000 0.306 101 F C 1.063 176.752 175.800 -0.185 0.000 1.162 101 F CA -0.301 57.519 58.000 -0.300 0.000 1.327 101 F CB 1.024 39.657 39.000 -0.611 0.000 0.953 101 F HN 0.040 nan 8.300 nan 0.000 0.507 102 G N 0.072 108.822 108.800 -0.084 0.000 2.157 102 G HA2 -0.292 3.668 3.960 0.000 0.000 0.239 102 G HA3 -0.292 3.668 3.960 0.000 0.000 0.239 102 G C -0.198 174.771 174.900 0.116 0.000 0.982 102 G CA 0.165 45.281 45.100 0.026 0.000 0.650 102 G HN 0.526 nan 8.290 nan 0.000 0.527 103 Y N -1.890 118.404 120.300 -0.010 0.000 2.644 103 Y HA 0.832 5.382 4.550 0.000 0.000 0.338 103 Y C 0.445 176.345 175.900 0.000 0.000 1.119 103 Y CA -1.058 57.041 58.100 -0.002 0.000 1.060 103 Y CB 0.836 39.302 38.460 0.010 0.000 1.294 103 Y HN 0.641 nan 8.280 nan 0.000 0.472 104 G N -0.559 108.309 108.800 0.114 0.000 3.015 104 G HA2 0.517 4.477 3.960 0.000 0.000 0.281 104 G HA3 0.517 4.477 3.960 0.000 0.000 0.281 104 G C 0.131 175.080 174.900 0.081 0.000 1.386 104 G CA -0.768 44.340 45.100 0.013 0.000 0.959 104 G HN 1.138 nan 8.290 nan 0.000 0.522 105 A N -0.331 122.488 122.820 -0.003 0.000 1.940 105 A HA -0.050 4.270 4.320 0.000 0.000 0.219 105 A C 2.138 179.697 177.584 -0.041 0.000 1.176 105 A CA 2.106 54.120 52.037 -0.038 0.000 0.631 105 A CB -0.398 18.530 19.000 -0.120 0.000 0.814 105 A HN 0.575 nan 8.150 nan 0.000 0.446 106 K N -0.559 119.821 120.400 -0.032 0.000 2.155 106 K HA -0.090 4.230 4.320 0.000 0.000 0.203 106 K C 1.309 177.904 176.600 -0.010 0.000 1.052 106 K CA 1.165 57.430 56.287 -0.037 0.000 0.948 106 K CB -0.127 32.354 32.500 -0.033 0.000 0.728 106 K HN 0.427 nan 8.250 nan 0.000 0.448 107 D N 0.497 120.917 120.400 0.034 0.000 2.144 107 D HA -0.125 4.515 4.640 0.000 0.000 0.200 107 D C 1.946 178.254 176.300 0.013 0.000 0.978 107 D CA 0.900 54.926 54.000 0.043 0.000 0.833 107 D CB -0.175 40.694 40.800 0.117 0.000 0.961 107 D HN -0.065 nan 8.370 nan 0.000 0.470 108 V N 1.251 121.191 119.914 0.045 0.000 2.270 108 V HA -0.213 3.907 4.120 0.000 0.000 0.245 108 V C 2.564 178.631 176.094 -0.046 0.000 1.043 108 V CA 1.500 63.799 62.300 -0.001 0.000 1.014 108 V CB -0.312 31.541 31.823 0.050 0.000 0.645 108 V HN 0.124 nan 8.190 nan 0.000 0.447 109 R N 1.164 121.630 120.500 -0.058 0.000 2.083 109 R HA -0.126 4.214 4.340 0.000 0.000 0.237 109 R C 1.692 177.958 176.300 -0.058 0.000 1.137 109 R CA 1.742 57.795 56.100 -0.078 0.000 0.951 109 R CB -0.536 29.697 30.300 -0.112 0.000 0.851 109 R HN 0.787 nan 8.270 nan 0.000 0.434 110 N N 1.371 120.044 118.700 -0.045 0.000 2.322 110 N HA 0.008 4.748 4.740 0.000 0.000 0.216 110 N C -0.207 175.281 175.510 -0.037 0.000 1.144 110 N CA 0.016 53.044 53.050 -0.036 0.000 0.830 110 N CB 0.221 38.692 38.487 -0.027 0.000 1.034 110 N HN 0.132 nan 8.380 nan 0.000 0.484 111 L N 0.647 121.841 121.223 -0.048 0.000 3.608 111 L HA -0.232 4.109 4.340 0.000 0.000 0.422 111 L C 0.400 177.237 176.870 -0.055 0.000 1.260 111 L CA 0.260 55.066 54.840 -0.057 0.000 0.889 111 L CB -2.703 39.326 42.059 -0.050 0.000 1.821 111 L HN 0.425 nan 8.230 nan 0.000 0.884 112 S N -0.768 114.897 115.700 -0.058 0.000 2.568 112 S HA 0.244 4.714 4.470 0.000 0.000 0.282 112 S C 1.522 176.078 174.600 -0.073 0.000 1.338 112 S CA 0.033 58.201 58.200 -0.053 0.000 1.045 112 S CB 1.749 64.926 63.200 -0.039 0.000 0.873 112 S HN 0.593 nan 8.310 nan 0.000 0.516 113 S N 3.112 118.783 115.700 -0.049 0.000 2.382 113 S HA -0.217 4.253 4.470 0.000 0.000 0.228 113 S C 1.768 176.331 174.600 -0.061 0.000 1.027 113 S CA 1.227 59.402 58.200 -0.042 0.000 0.991 113 S CB -0.703 62.483 63.200 -0.023 0.000 0.823 113 S HN 0.908 nan 8.310 nan 0.000 0.469 114 K N 1.645 122.004 120.400 -0.069 0.000 2.063 114 K HA -0.088 4.232 4.320 0.000 0.000 0.208 114 K C 2.270 178.714 176.600 -0.260 0.000 1.048 114 K CA 1.381 57.618 56.287 -0.084 0.000 0.928 114 K CB -0.753 31.733 32.500 -0.023 0.000 0.713 114 K HN 0.461 nan 8.250 nan 0.000 0.442 115 A N 0.701 123.261 122.820 -0.434 0.000 1.855 115 A HA -0.087 4.233 4.320 0.000 0.000 0.215 115 A C 2.287 179.587 177.584 -0.473 0.000 1.191 115 A CA 1.653 53.149 52.037 -0.902 0.000 0.613 115 A CB -0.728 17.919 19.000 -0.588 0.000 0.829 115 A HN 0.175 nan 8.150 nan 0.000 0.442 116 V N 0.955 120.729 119.914 -0.235 0.000 2.343 116 V HA -0.327 3.793 4.120 0.000 0.000 0.247 116 V C 2.214 178.315 176.094 0.011 0.000 1.051 116 V CA 2.294 64.524 62.300 -0.116 0.000 1.036 116 V CB -1.272 30.531 31.823 -0.033 0.000 0.654 116 V HN 0.632 nan 8.190 nan 0.000 0.451 117 N N -0.899 117.815 118.700 0.022 0.000 2.036 117 N HA -0.268 4.473 4.740 0.000 0.000 0.195 117 N C 2.010 177.562 175.510 0.070 0.000 1.037 117 N CA 1.605 54.698 53.050 0.073 0.000 0.855 117 N CB -0.319 38.189 38.487 0.035 0.000 1.033 117 N HN 0.607 nan 8.380 nan 0.000 0.423 118 H N 1.234 120.255 119.070 -0.082 0.000 2.353 118 H HA -0.063 4.493 4.556 0.000 0.000 0.300 118 H C 2.175 177.481 175.328 -0.037 0.000 1.090 118 H CA 1.283 57.301 56.048 -0.050 0.000 1.327 118 H CB -0.010 29.763 29.762 0.019 0.000 1.383 118 H HN 0.187 nan 8.280 nan 0.000 0.508 119 I N 0.542 121.026 120.570 -0.143 0.000 2.163 119 I HA -0.333 3.837 4.170 0.000 0.000 0.243 119 I C 2.650 178.667 176.117 -0.167 0.000 1.085 119 I CA 1.290 62.481 61.300 -0.181 0.000 1.347 119 I CB -0.482 37.399 38.000 -0.198 0.000 1.044 119 I HN 0.375 nan 8.210 nan 0.000 0.408 120 H N 0.232 119.261 119.070 -0.068 0.000 2.387 120 H HA -0.138 4.418 4.556 0.000 0.000 0.299 120 H C 2.619 177.953 175.328 0.009 0.000 1.099 120 H CA 1.950 57.991 56.048 -0.011 0.000 1.315 120 H CB -0.291 29.453 29.762 -0.031 0.000 1.380 120 H HN 0.433 nan 8.280 nan 0.000 0.513 121 S N 0.366 116.088 115.700 0.036 0.000 2.387 121 S HA -0.076 4.394 4.470 0.000 0.000 0.226 121 S C 2.366 176.902 174.600 -0.107 0.000 1.026 121 S CA 1.102 59.279 58.200 -0.038 0.000 0.972 121 S CB -0.765 62.389 63.200 -0.077 0.000 0.814 121 S HN 0.092 nan 8.310 nan 0.000 0.477 122 V N 1.022 120.810 119.914 -0.211 0.000 2.261 122 V HA -0.133 3.987 4.120 0.000 0.000 0.246 122 V C 2.268 178.346 176.094 -0.026 0.000 1.047 122 V CA 1.855 64.043 62.300 -0.187 0.000 1.015 122 V CB -1.194 30.484 31.823 -0.242 0.000 0.642 122 V HN 0.718 nan 8.190 nan 0.000 0.446 123 W N 1.527 122.747 121.300 -0.134 0.000 2.318 123 W HA -0.285 4.375 4.660 0.000 0.000 0.313 123 W C 2.560 179.046 176.519 -0.055 0.000 1.221 123 W CA 2.518 59.814 57.345 -0.082 0.000 1.266 123 W CB -0.174 29.244 29.460 -0.070 0.000 1.150 123 W HN 0.264 nan 8.180 nan 0.000 0.496 124 K N 0.571 121.033 120.400 0.103 0.000 2.032 124 K HA -0.288 4.032 4.320 0.000 0.000 0.209 124 K C 1.797 178.338 176.600 -0.098 0.000 1.048 124 K CA 2.398 58.688 56.287 0.004 0.000 0.927 124 K CB -0.692 31.840 32.500 0.054 0.000 0.712 124 K HN 0.052 nan 8.250 nan 0.000 0.441 125 D N -0.052 120.291 120.400 -0.094 0.000 2.178 125 D HA -0.140 4.500 4.640 0.000 0.000 0.201 125 D C 1.883 178.091 176.300 -0.154 0.000 0.980 125 D CA 0.911 54.847 54.000 -0.108 0.000 0.842 125 D CB 0.087 40.828 40.800 -0.098 0.000 0.948 125 D HN 0.245 nan 8.370 nan 0.000 0.472 126 L N -0.127 120.962 121.223 -0.223 0.000 2.093 126 L HA -0.106 4.234 4.340 0.000 0.000 0.208 126 L C 2.377 179.049 176.870 -0.331 0.000 1.085 126 L CA 0.613 55.273 54.840 -0.299 0.000 0.755 126 L CB -0.313 41.495 42.059 -0.418 0.000 0.904 126 L HN 0.211 nan 8.230 nan 0.000 0.435 127 L N -0.813 120.184 121.223 -0.376 0.000 2.156 127 L HA -0.139 4.201 4.340 0.000 0.000 0.208 127 L C 2.231 179.000 176.870 -0.168 0.000 1.095 127 L CA 1.104 55.766 54.840 -0.296 0.000 0.770 127 L CB -0.330 41.561 42.059 -0.279 0.000 0.914 127 L HN 0.295 nan 8.230 nan 0.000 0.439 128 E N -1.114 119.003 120.200 -0.138 0.000 2.276 128 E HA -0.042 4.308 4.350 0.000 0.000 0.193 128 E C 0.207 176.759 176.600 -0.079 0.000 0.983 128 E CA 0.170 56.516 56.400 -0.089 0.000 0.861 128 E CB 0.444 30.103 29.700 -0.068 0.000 0.817 128 E HN 0.172 nan 8.360 nan 0.000 0.485 129 D N 0.350 120.693 120.400 -0.094 0.000 2.549 129 D HA 0.055 4.695 4.640 0.000 0.000 0.251 129 D C -0.243 176.004 176.300 -0.089 0.000 1.153 129 D CA -0.284 53.670 54.000 -0.076 0.000 0.861 129 D CB 1.495 42.255 40.800 -0.066 0.000 1.207 129 D HN -0.046 nan 8.370 nan 0.000 0.543 130 T N 0.536 115.046 114.554 -0.072 0.000 3.228 130 T HA 0.229 4.579 4.350 0.000 0.000 0.278 130 T C 0.734 175.403 174.700 -0.052 0.000 1.014 130 T CA -0.212 61.845 62.100 -0.072 0.000 0.904 130 T CB 0.366 69.195 68.868 -0.065 0.000 1.110 130 T HN 0.165 nan 8.240 nan 0.000 0.541 131 V N 0.241 120.128 119.914 -0.044 0.000 3.245 131 V HA 0.274 4.394 4.120 0.000 0.000 0.246 131 V C 0.270 176.353 176.094 -0.018 0.000 1.487 131 V CA 0.448 62.731 62.300 -0.027 0.000 1.154 131 V CB 0.645 32.455 31.823 -0.022 0.000 0.971 131 V HN 0.516 nan 8.190 nan 0.000 0.443 132 T N 4.776 119.317 114.554 -0.022 0.000 2.769 132 T HA 0.278 4.629 4.350 0.000 0.000 0.293 132 T C -2.556 172.141 174.700 -0.006 0.000 0.931 132 T CA -0.523 61.572 62.100 -0.008 0.000 1.139 132 T CB 0.909 69.771 68.868 -0.009 0.000 0.881 132 T HN 0.298 nan 8.240 nan 0.000 0.532 133 P HA 0.109 nan 4.420 nan 0.000 0.264 133 P C -0.274 177.026 177.300 0.000 0.000 1.183 133 P CA 0.038 63.149 63.100 0.020 0.000 0.763 133 P CB 0.324 32.075 31.700 0.085 0.000 0.807 134 I N 2.510 123.063 120.570 -0.028 0.000 2.365 134 I HA 0.150 4.321 4.170 0.000 0.000 0.291 134 I C 0.876 176.979 176.117 -0.024 0.000 1.004 134 I CA -0.519 60.769 61.300 -0.021 0.000 1.311 134 I CB 0.841 38.816 38.000 -0.042 0.000 1.401 134 I HN 0.302 nan 8.210 nan 0.000 0.491 135 D N 4.511 124.913 120.400 0.004 0.000 2.443 135 D HA 0.146 4.786 4.640 0.000 0.000 0.239 135 D C -0.252 176.020 176.300 -0.046 0.000 1.136 135 D CA 0.286 54.277 54.000 -0.014 0.000 0.879 135 D CB 0.794 41.603 40.800 0.015 0.000 1.195 135 D HN 0.611 nan 8.370 nan 0.000 0.443 136 T N -0.424 114.075 114.554 -0.093 0.000 2.916 136 T HA 0.639 4.989 4.350 0.000 0.000 0.292 136 T C -0.299 174.255 174.700 -0.242 0.000 1.055 136 T CA -0.956 61.049 62.100 -0.159 0.000 1.009 136 T CB 1.533 70.327 68.868 -0.122 0.000 1.118 136 T HN 0.225 nan 8.240 nan 0.000 0.497 137 T N 2.002 116.260 114.554 -0.494 0.000 2.829 137 T HA 0.578 4.928 4.350 0.000 0.000 0.282 137 T C -0.375 174.065 174.700 -0.432 0.000 0.990 137 T CA -0.595 61.183 62.100 -0.538 0.000 1.028 137 T CB 0.812 69.188 68.868 -0.821 0.000 0.951 137 T HN 0.735 nan 8.240 nan 0.000 0.460 138 I N 4.138 124.615 120.570 -0.154 0.000 2.354 138 I HA 0.496 4.667 4.170 0.000 0.000 0.292 138 I C -0.843 175.303 176.117 0.048 0.000 0.989 138 I CA -0.716 60.582 61.300 -0.004 0.000 1.188 138 I CB 0.525 38.567 38.000 0.069 0.000 1.342 138 I HN 0.409 nan 8.210 nan 0.000 0.457 139 M N 6.241 125.927 119.600 0.144 0.000 2.690 139 M HA 0.567 5.048 4.480 0.000 0.000 0.302 139 M C -0.500 175.866 176.300 0.111 0.000 1.234 139 M CA -0.681 54.709 55.300 0.150 0.000 0.853 139 M CB 1.809 34.563 32.600 0.257 0.000 1.748 139 M HN 0.595 nan 8.290 nan 0.000 0.469 140 A N 1.632 124.496 122.820 0.075 0.000 2.290 140 A HA 0.528 4.848 4.320 0.000 0.000 0.310 140 A C -0.231 177.389 177.584 0.060 0.000 1.202 140 A CA -0.591 51.479 52.037 0.056 0.000 0.837 140 A CB 0.398 19.417 19.000 0.031 0.000 1.139 140 A HN 0.756 nan 8.150 nan 0.000 0.509 141 K N 1.885 122.321 120.400 0.061 0.000 2.350 141 K HA 0.104 4.424 4.320 0.000 0.000 0.279 141 K C -0.623 175.984 176.600 0.011 0.000 1.027 141 K CA 0.191 56.501 56.287 0.039 0.000 0.969 141 K CB 0.495 33.025 32.500 0.050 0.000 0.954 141 K HN 0.760 nan 8.250 nan 0.000 0.474 142 N N 2.988 121.668 118.700 -0.034 0.000 2.462 142 N HA 0.105 4.845 4.740 0.000 0.000 0.242 142 N C -1.158 174.229 175.510 -0.205 0.000 1.010 142 N CA -0.290 52.700 53.050 -0.099 0.000 0.939 142 N CB 0.978 39.406 38.487 -0.098 0.000 1.127 142 N HN 0.406 nan 8.380 nan 0.000 0.509 143 E N 0.862 120.913 120.200 -0.248 0.000 2.343 143 E HA 0.472 4.822 4.350 0.000 0.000 0.270 143 E C -1.047 175.120 176.600 -0.722 0.000 0.895 143 E CA -0.962 55.171 56.400 -0.445 0.000 0.767 143 E CB 2.595 32.088 29.700 -0.344 0.000 1.248 143 E HN 0.078 nan 8.360 nan 0.000 0.440 144 V N 2.775 122.113 119.914 -0.960 0.000 2.435 144 V HA 0.515 4.636 4.120 0.000 0.000 0.290 144 V C -0.982 174.429 176.094 -1.139 0.000 1.030 144 V CA -0.358 61.394 62.300 -0.913 0.000 0.881 144 V CB 0.405 31.830 31.823 -0.663 0.000 0.983 144 V HN 0.498 nan 8.190 nan 0.000 0.445 145 F N 2.198 121.794 119.950 -0.590 0.000 2.650 145 F HA 0.584 5.111 4.527 0.000 0.000 0.320 145 F C 0.131 175.749 175.800 -0.303 0.000 1.091 145 F CA -0.767 56.962 58.000 -0.451 0.000 0.962 145 F CB 1.275 39.981 39.000 -0.490 0.000 1.363 145 F HN 0.511 nan 8.300 nan 0.000 0.482 146 C N 2.667 122.074 119.300 0.179 0.000 2.401 146 C HA 0.778 5.238 4.460 0.000 0.000 0.365 146 C C 0.140 175.352 174.990 0.370 0.000 1.250 146 C CA -0.663 58.496 59.018 0.235 0.000 2.131 146 C CB -0.042 27.787 27.740 0.149 0.000 2.445 146 C HN 0.698 nan 8.230 nan 0.000 0.550 147 V N 6.018 126.160 119.914 0.381 0.000 2.843 147 V HA 0.310 4.430 4.120 0.000 0.000 0.305 147 V C 0.178 176.355 176.094 0.139 0.000 1.065 147 V CA -0.039 62.419 62.300 0.264 0.000 1.116 147 V CB 0.374 32.275 31.823 0.130 0.000 0.968 147 V HN 0.895 nan 8.190 nan 0.000 0.487 155 K N 2.908 123.340 120.400 0.053 0.000 2.298 155 K HA 0.264 4.584 4.320 0.000 0.000 0.280 155 K C -1.986 174.659 176.600 0.075 0.000 1.032 155 K CA -1.415 54.864 56.287 -0.014 0.000 0.958 155 K CB 0.512 32.870 32.500 -0.236 0.000 0.978 155 K HN 0.256 nan 8.250 nan 0.000 0.472 156 P HA 0.035 nan 4.420 nan 0.000 0.274 156 P C -0.848 176.507 177.300 0.091 0.000 1.237 156 P CA -0.504 62.631 63.100 0.058 0.000 0.793 156 P CB 0.658 32.371 31.700 0.022 0.000 0.977 157 A N 2.910 125.787 122.820 0.094 0.000 2.540 157 A HA 0.078 4.398 4.320 0.000 0.000 0.239 157 A C 0.734 178.369 177.584 0.085 0.000 1.061 157 A CA -0.029 52.070 52.037 0.103 0.000 0.758 157 A CB -0.353 18.691 19.000 0.072 0.000 0.991 157 A HN 0.431 nan 8.150 nan 0.000 0.502 158 R N 0.790 121.356 120.500 0.110 0.000 2.615 158 R HA 0.444 4.784 4.340 0.000 0.000 0.270 158 R C -0.597 175.758 176.300 0.092 0.000 1.081 158 R CA -0.222 55.942 56.100 0.107 0.000 1.154 158 R CB 0.381 30.760 30.300 0.131 0.000 1.063 158 R HN 0.678 nan 8.270 nan 0.000 0.519 159 L N 1.822 123.104 121.223 0.099 0.000 2.334 159 L HA 0.591 4.931 4.340 0.000 0.000 0.270 159 L C -0.309 176.647 176.870 0.143 0.000 1.018 159 L CA -0.929 53.971 54.840 0.100 0.000 0.811 159 L CB 1.232 43.333 42.059 0.069 0.000 1.271 159 L HN 0.459 nan 8.230 nan 0.000 0.443 160 I N 1.335 122.007 120.570 0.170 0.000 2.533 160 I HA 0.530 4.700 4.170 0.000 0.000 0.290 160 I C -1.168 175.130 176.117 0.302 0.000 1.056 160 I CA -0.327 61.113 61.300 0.233 0.000 1.057 160 I CB 2.012 40.141 38.000 0.216 0.000 1.240 160 I HN 0.201 nan 8.210 nan 0.000 0.423 161 V N 8.509 128.600 119.914 0.295 0.000 2.444 161 V HA 0.618 4.738 4.120 0.000 0.000 0.294 161 V C -0.905 175.359 176.094 0.283 0.000 1.022 161 V CA -0.492 61.931 62.300 0.206 0.000 0.850 161 V CB 1.238 33.160 31.823 0.164 0.000 0.992 161 V HN 0.584 nan 8.190 nan 0.000 0.426 162 F N 4.907 124.902 119.950 0.076 0.000 2.608 162 F HA 0.925 5.452 4.527 0.000 0.000 0.309 162 F C -3.090 172.748 175.800 0.065 0.000 1.103 162 F CA -2.643 55.401 58.000 0.073 0.000 0.954 162 F CB 1.692 40.728 39.000 0.059 0.000 1.267 162 F HN 0.302 nan 8.300 nan 0.000 0.444 163 P HA 0.184 nan 4.420 nan 0.000 0.279 163 P C -0.974 176.433 177.300 0.177 0.000 1.276 163 P CA -0.169 62.987 63.100 0.093 0.000 0.801 163 P CB 1.148 32.913 31.700 0.107 0.000 1.127 164 D N -0.731 119.759 120.400 0.150 0.000 2.419 164 D HA -0.075 4.566 4.640 0.000 0.000 0.236 164 D C 1.386 177.812 176.300 0.209 0.000 1.165 164 D CA -0.236 53.885 54.000 0.201 0.000 0.882 164 D CB 0.260 41.236 40.800 0.293 0.000 1.201 164 D HN 0.107 nan 8.370 nan 0.000 0.443 165 L N 3.585 124.914 121.223 0.175 0.000 2.064 165 L HA -0.091 4.250 4.340 0.000 0.000 0.216 165 L C 2.034 179.030 176.870 0.209 0.000 1.077 165 L CA 2.686 57.613 54.840 0.145 0.000 0.766 165 L CB -1.146 40.949 42.059 0.059 0.000 0.890 165 L HN 0.670 nan 8.230 nan 0.000 0.435 166 G N -1.373 107.613 108.800 0.309 0.000 2.421 166 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 166 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 166 G C 1.547 176.533 174.900 0.142 0.000 1.171 166 G CA 1.110 46.397 45.100 0.312 0.000 0.775 166 G HN 0.368 nan 8.290 nan 0.000 0.543 167 V N 0.927 120.921 119.914 0.134 0.000 2.332 167 V HA -0.225 3.895 4.120 0.000 0.000 0.248 167 V C 2.932 179.094 176.094 0.114 0.000 1.055 167 V CA 2.114 64.472 62.300 0.096 0.000 1.038 167 V CB -0.518 31.356 31.823 0.085 0.000 0.651 167 V HN 0.342 nan 8.190 nan 0.000 0.450 168 R N -0.321 120.255 120.500 0.128 0.000 2.096 168 R HA -0.108 4.233 4.340 0.000 0.000 0.235 168 R C 2.249 178.596 176.300 0.079 0.000 1.127 168 R CA 1.428 57.596 56.100 0.113 0.000 0.968 168 R CB -0.623 29.737 30.300 0.099 0.000 0.861 168 R HN 0.439 nan 8.270 nan 0.000 0.440 169 V N 0.560 120.512 119.914 0.063 0.000 2.343 169 V HA -0.298 3.823 4.120 0.000 0.000 0.247 169 V C 2.523 178.631 176.094 0.023 0.000 1.051 169 V CA 1.560 63.867 62.300 0.012 0.000 1.036 169 V CB -0.488 31.329 31.823 -0.010 0.000 0.654 169 V HN 0.446 nan 8.190 nan 0.000 0.451 170 C N -0.042 119.311 119.300 0.089 0.000 2.429 170 C HA -0.152 4.308 4.460 0.000 0.000 0.277 170 C C 2.664 177.806 174.990 0.254 0.000 1.262 170 C CA 0.985 60.133 59.018 0.217 0.000 1.733 170 C CB -1.014 26.903 27.740 0.296 0.000 2.010 170 C HN 0.634 nan 8.230 nan 0.000 0.483 171 E N 1.000 121.311 120.200 0.185 0.000 2.049 171 E HA -0.256 4.094 4.350 0.000 0.000 0.198 171 E C 2.125 178.831 176.600 0.177 0.000 1.007 171 E CA 1.355 57.876 56.400 0.202 0.000 0.809 171 E CB -0.237 29.593 29.700 0.215 0.000 0.749 171 E HN 0.633 nan 8.360 nan 0.000 0.450 172 K N 0.420 120.893 120.400 0.120 0.000 2.059 172 K HA -0.207 4.113 4.320 0.000 0.000 0.212 172 K C 2.222 178.870 176.600 0.080 0.000 1.050 172 K CA 1.861 58.204 56.287 0.094 0.000 0.927 172 K CB -0.237 32.242 32.500 -0.035 0.000 0.714 172 K HN 0.120 nan 8.250 nan 0.000 0.447 173 M N 0.222 119.828 119.600 0.009 0.000 2.065 173 M HA -0.218 4.262 4.480 0.000 0.000 0.259 173 M C 2.448 178.773 176.300 0.043 0.000 1.069 173 M CA 1.970 57.204 55.300 -0.110 0.000 1.110 173 M CB -0.361 31.964 32.600 -0.458 0.000 1.328 173 M HN 0.279 nan 8.290 nan 0.000 0.405 174 A N -0.741 122.231 122.820 0.253 0.000 1.929 174 A HA 0.024 4.344 4.320 0.000 0.000 0.216 174 A C 1.848 179.524 177.584 0.154 0.000 1.176 174 A CA 1.288 53.516 52.037 0.318 0.000 0.628 174 A CB -0.246 18.980 19.000 0.375 0.000 0.816 174 A HN 0.501 nan 8.150 nan 0.000 0.444 175 L N -3.141 118.157 121.223 0.125 0.000 3.086 175 L HA 0.201 4.541 4.340 0.000 0.000 0.274 175 L C 1.728 178.625 176.870 0.046 0.000 1.184 175 L CA -0.008 54.848 54.840 0.026 0.000 1.002 175 L CB 0.157 42.199 42.059 -0.028 0.000 1.383 175 L HN 0.449 nan 8.230 nan 0.000 0.582 176 Y N 1.308 121.617 120.300 0.015 0.000 2.165 176 Y HA -0.316 4.234 4.550 0.000 0.000 0.286 176 Y C 2.142 178.072 175.900 0.050 0.000 1.155 176 Y CA 2.262 60.387 58.100 0.042 0.000 1.164 176 Y CB 0.113 38.586 38.460 0.021 0.000 0.978 176 Y HN 0.223 nan 8.280 nan 0.000 0.513 177 D N -0.752 119.641 120.400 -0.013 0.000 2.117 177 D HA -0.161 4.479 4.640 0.000 0.000 0.198 177 D C 2.257 178.480 176.300 -0.130 0.000 0.982 177 D CA 1.466 55.409 54.000 -0.095 0.000 0.828 177 D CB -0.226 40.581 40.800 0.012 0.000 0.967 177 D HN 0.247 nan 8.370 nan 0.000 0.464 178 V N 0.614 120.465 119.914 -0.105 0.000 2.233 178 V HA -0.259 3.862 4.120 0.000 0.000 0.247 178 V C 2.699 178.688 176.094 -0.174 0.000 1.050 178 V CA 1.997 64.218 62.300 -0.133 0.000 1.010 178 V CB -0.884 30.825 31.823 -0.190 0.000 0.637 178 V HN 0.335 nan 8.190 nan 0.000 0.444 179 V N -2.430 117.361 119.914 -0.205 0.000 2.913 179 V HA -0.104 4.016 4.120 0.000 0.000 0.260 179 V C 2.042 177.998 176.094 -0.230 0.000 1.098 179 V CA 2.114 64.293 62.300 -0.201 0.000 1.121 179 V CB -0.407 31.321 31.823 -0.158 0.000 0.714 179 V HN 0.458 nan 8.190 nan 0.000 0.487 180 S N 0.961 116.517 115.700 -0.240 0.000 2.458 180 S HA -0.030 4.440 4.470 0.000 0.000 0.223 180 S C 1.925 176.431 174.600 -0.158 0.000 1.019 180 S CA 1.459 59.533 58.200 -0.209 0.000 0.937 180 S CB 0.017 63.023 63.200 -0.325 0.000 0.788 180 S HN 0.951 nan 8.310 nan 0.000 0.511 181 T N -0.759 113.696 114.554 -0.164 0.000 3.019 181 T HA 0.288 4.638 4.350 0.000 0.000 0.247 181 T C 1.692 176.292 174.700 -0.165 0.000 0.992 181 T CA -0.118 61.902 62.100 -0.133 0.000 1.036 181 T CB -0.570 68.243 68.868 -0.092 0.000 1.063 181 T HN 0.205 nan 8.240 nan 0.000 0.476 182 L N 2.028 123.150 121.223 -0.167 0.000 2.046 182 L HA 0.102 4.442 4.340 0.000 0.000 0.208 182 L C -0.862 175.848 176.870 -0.266 0.000 1.077 182 L CA 1.463 56.208 54.840 -0.157 0.000 0.747 182 L CB -0.814 41.200 42.059 -0.074 0.000 0.896 182 L HN 0.149 nan 8.230 nan 0.000 0.432 183 P HA -0.235 nan 4.420 nan 0.000 0.215 183 P C 1.343 178.210 177.300 -0.720 0.000 1.157 183 P CA 1.329 63.994 63.100 -0.726 0.000 0.868 183 P CB -0.187 30.697 31.700 -1.360 0.000 0.788 184 Q N 0.061 119.502 119.800 -0.597 0.000 2.167 184 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 184 Q C 1.928 177.803 176.000 -0.208 0.000 0.970 184 Q CA 1.451 57.079 55.803 -0.292 0.000 0.855 184 Q CB -0.660 28.005 28.738 -0.121 0.000 0.911 184 Q HN 0.076 nan 8.270 nan 0.000 0.438 185 V N 0.150 119.947 119.914 -0.196 0.000 2.358 185 V HA -0.201 3.919 4.120 0.000 0.000 0.246 185 V C 2.508 178.514 176.094 -0.147 0.000 1.047 185 V CA 1.417 63.636 62.300 -0.136 0.000 1.035 185 V CB -0.436 31.324 31.823 -0.106 0.000 0.658 185 V HN 0.134 nan 8.190 nan 0.000 0.452 186 V N -0.831 118.964 119.914 -0.199 0.000 2.379 186 V HA -0.159 3.961 4.120 0.000 0.000 0.245 186 V C 2.034 177.952 176.094 -0.293 0.000 1.044 186 V CA 2.074 64.249 62.300 -0.208 0.000 1.036 186 V CB -0.356 31.334 31.823 -0.220 0.000 0.664 186 V HN 0.467 nan 8.190 nan 0.000 0.453 187 M N -1.410 117.954 119.600 -0.392 0.000 2.337 187 M HA 0.366 4.846 4.480 0.000 0.000 0.256 187 M C 1.387 177.553 176.300 -0.222 0.000 1.075 187 M CA 0.714 55.690 55.300 -0.540 0.000 1.024 187 M CB 0.602 32.762 32.600 -0.733 0.000 1.429 187 M HN 0.458 nan 8.290 nan 0.000 0.497 188 G N 1.636 110.347 108.800 -0.149 0.000 2.582 188 G HA2 -0.397 3.563 3.960 0.000 0.000 0.288 188 G HA3 -0.397 3.563 3.960 0.000 0.000 0.288 188 G C 0.808 175.665 174.900 -0.071 0.000 1.247 188 G CA 0.819 45.874 45.100 -0.075 0.000 0.972 188 G HN 0.529 nan 8.290 nan 0.000 0.557 189 S N -0.767 114.906 115.700 -0.045 0.000 2.440 189 S HA -0.061 4.409 4.470 0.000 0.000 0.240 189 S C 2.241 176.729 174.600 -0.186 0.000 1.014 189 S CA 2.253 60.374 58.200 -0.131 0.000 0.980 189 S CB -0.344 62.823 63.200 -0.055 0.000 0.775 189 S HN 1.218 nan 8.310 nan 0.000 0.499 190 S N 0.077 115.779 115.700 0.003 0.000 2.515 190 S HA 0.083 4.553 4.470 0.000 0.000 0.231 190 S C 0.279 174.904 174.600 0.042 0.000 0.987 190 S CA 0.072 58.333 58.200 0.101 0.000 0.936 190 S CB -0.446 62.919 63.200 0.275 0.000 0.766 190 S HN 0.702 nan 8.310 nan 0.000 0.528 191 Y N 2.939 123.117 120.300 -0.203 0.000 2.584 191 Y HA 0.466 5.016 4.550 0.000 0.000 0.351 191 Y C 1.251 176.946 175.900 -0.342 0.000 1.030 191 Y CA -1.446 56.500 58.100 -0.257 0.000 1.332 191 Y CB 0.071 38.373 38.460 -0.263 0.000 1.148 191 Y HN 0.049 nan 8.280 nan 0.000 0.528 192 G N 4.422 112.794 108.800 -0.713 0.000 2.421 192 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 192 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 192 G C 1.015 175.408 174.900 -0.846 0.000 1.143 192 G CA 0.196 44.918 45.100 -0.629 0.000 0.784 192 G HN 0.630 nan 8.290 nan 0.000 0.541 193 F N 1.340 120.583 119.950 -1.179 0.000 2.771 193 F HA 0.064 4.591 4.527 0.000 0.000 0.299 193 F C 2.759 178.316 175.800 -0.405 0.000 1.177 193 F CA 0.734 58.141 58.000 -0.988 0.000 1.450 193 F CB -0.036 38.380 39.000 -0.973 0.000 1.114 193 F HN 0.380 nan 8.300 nan 0.000 0.587 194 Q N -0.914 118.627 119.800 -0.431 0.000 2.432 194 Q HA -0.055 4.285 4.340 0.000 0.000 0.205 194 Q C -0.549 175.323 176.000 -0.213 0.000 0.945 194 Q CA 0.658 56.308 55.803 -0.254 0.000 0.924 194 Q CB -0.233 28.254 28.738 -0.418 0.000 1.016 194 Q HN 0.274 nan 8.270 nan 0.000 0.503 195 Y N 1.994 122.302 120.300 0.013 0.000 2.342 195 Y HA 0.302 4.852 4.550 0.000 0.000 0.334 195 Y C 0.650 176.343 175.900 -0.345 0.000 1.067 195 Y CA -1.308 56.726 58.100 -0.109 0.000 1.128 195 Y CB 1.447 39.813 38.460 -0.157 0.000 1.200 195 Y HN 0.108 nan 8.280 nan 0.000 0.464 196 S N 2.737 118.136 115.700 -0.503 0.000 2.617 196 S HA 0.210 4.680 4.470 0.000 0.000 0.259 196 S C -1.970 172.296 174.600 -0.557 0.000 1.301 196 S CA -0.985 56.509 58.200 -1.177 0.000 0.984 196 S CB 1.051 63.747 63.200 -0.841 0.000 0.954 196 S HN 0.427 nan 8.310 nan 0.000 0.572 197 P HA -0.008 nan 4.420 nan 0.000 0.216 197 P C 1.755 178.941 177.300 -0.190 0.000 1.153 197 P CA 1.747 64.680 63.100 -0.278 0.000 0.858 197 P CB -0.570 30.983 31.700 -0.244 0.000 0.789 198 G N -0.304 108.347 108.800 -0.249 0.000 2.440 198 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 198 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 198 G C 1.530 176.365 174.900 -0.109 0.000 1.154 198 G CA 0.705 45.728 45.100 -0.128 0.000 0.767 198 G HN 0.318 nan 8.290 nan 0.000 0.552 199 Q N -0.529 119.191 119.800 -0.134 0.000 2.119 199 Q HA 0.004 4.344 4.340 0.000 0.000 0.201 199 Q C 2.603 178.448 176.000 -0.258 0.000 0.972 199 Q CA 1.002 56.742 55.803 -0.105 0.000 0.847 199 Q CB -0.147 28.615 28.738 0.041 0.000 0.903 199 Q HN 0.475 nan 8.270 nan 0.000 0.433 200 R N 0.427 120.785 120.500 -0.237 0.000 2.066 200 R HA -0.119 4.222 4.340 0.000 0.000 0.232 200 R C 2.210 178.402 176.300 -0.179 0.000 1.131 200 R CA 1.199 57.126 56.100 -0.289 0.000 0.955 200 R CB -0.348 29.890 30.300 -0.102 0.000 0.851 200 R HN 0.189 nan 8.270 nan 0.000 0.432 201 V N 1.291 121.134 119.914 -0.118 0.000 2.515 201 V HA -0.193 3.927 4.120 0.000 0.000 0.250 201 V C 2.127 178.148 176.094 -0.121 0.000 1.058 201 V CA 2.308 64.551 62.300 -0.094 0.000 1.064 201 V CB -0.254 31.557 31.823 -0.021 0.000 0.675 201 V HN 0.514 nan 8.190 nan 0.000 0.461 202 E N -0.767 119.373 120.200 -0.101 0.000 2.051 202 E HA -0.273 4.077 4.350 0.000 0.000 0.192 202 E C 2.086 178.623 176.600 -0.105 0.000 0.991 202 E CA 1.844 58.191 56.400 -0.089 0.000 0.799 202 E CB -0.383 29.286 29.700 -0.052 0.000 0.748 202 E HN 0.642 nan 8.360 nan 0.000 0.449 203 F N 1.262 121.027 119.950 -0.308 0.000 2.134 203 F HA -0.134 4.393 4.527 0.000 0.000 0.299 203 F C 1.910 177.575 175.800 -0.226 0.000 1.097 203 F CA 1.280 59.086 58.000 -0.323 0.000 1.264 203 F CB -0.194 38.439 39.000 -0.612 0.000 1.001 203 F HN 0.023 nan 8.300 nan 0.000 0.479 204 L N -0.931 120.129 121.223 -0.272 0.000 2.046 204 L HA -0.216 4.125 4.340 0.000 0.000 0.208 204 L C 2.358 179.058 176.870 -0.284 0.000 1.077 204 L CA 1.012 55.672 54.840 -0.300 0.000 0.747 204 L CB -0.750 41.186 42.059 -0.205 0.000 0.896 204 L HN 0.006 nan 8.230 nan 0.000 0.432 205 V N -0.115 119.624 119.914 -0.292 0.000 2.323 205 V HA -0.221 3.900 4.120 0.000 0.000 0.244 205 V C 2.164 178.135 176.094 -0.205 0.000 1.041 205 V CA 1.629 63.735 62.300 -0.324 0.000 1.025 205 V CB -0.604 30.899 31.823 -0.534 0.000 0.656 205 V HN 0.464 nan 8.190 nan 0.000 0.451 206 N N 0.145 118.721 118.700 -0.207 0.000 2.166 206 N HA -0.136 4.604 4.740 0.000 0.000 0.186 206 N C 1.900 177.291 175.510 -0.199 0.000 1.019 206 N CA 1.916 54.867 53.050 -0.164 0.000 0.856 206 N CB -0.661 37.752 38.487 -0.124 0.000 0.993 206 N HN 0.433 nan 8.380 nan 0.000 0.426 207 T N 0.409 114.758 114.554 -0.342 0.000 2.708 207 T HA -0.143 4.207 4.350 0.000 0.000 0.266 207 T C 1.493 176.097 174.700 -0.160 0.000 1.037 207 T CA 0.673 62.565 62.100 -0.348 0.000 1.146 207 T CB -0.242 68.260 68.868 -0.611 0.000 0.865 207 T HN 0.427 nan 8.240 nan 0.000 0.435 208 W N 2.048 123.174 121.300 -0.289 0.000 2.338 208 W HA -0.095 4.565 4.660 0.000 0.000 0.304 208 W C 1.842 178.264 176.519 -0.162 0.000 1.212 208 W CA 1.182 58.399 57.345 -0.213 0.000 1.264 208 W CB -0.157 29.170 29.460 -0.221 0.000 1.142 208 W HN 0.227 nan 8.180 nan 0.000 0.512 209 K N 0.263 120.656 120.400 -0.012 0.000 2.365 209 K HA -0.110 4.211 4.320 0.000 0.000 0.199 209 K C 2.116 178.650 176.600 -0.110 0.000 1.045 209 K CA 1.379 57.630 56.287 -0.061 0.000 0.962 209 K CB -0.135 32.350 32.500 -0.024 0.000 0.759 209 K HN 0.037 nan 8.250 nan 0.000 0.469 210 S N 0.182 115.803 115.700 -0.131 0.000 2.562 210 S HA 0.047 4.517 4.470 0.000 0.000 0.221 210 S C 0.380 174.895 174.600 -0.142 0.000 0.975 210 S CA 0.088 58.217 58.200 -0.119 0.000 0.918 210 S CB 0.117 63.250 63.200 -0.111 0.000 0.772 210 S HN -0.073 nan 8.310 nan 0.000 0.531 211 K N 1.634 121.907 120.400 -0.212 0.000 2.130 211 K HA 0.408 4.728 4.320 0.000 0.000 0.268 211 K C 0.325 176.797 176.600 -0.213 0.000 0.983 211 K CA -0.433 55.715 56.287 -0.231 0.000 0.893 211 K CB 1.423 33.719 32.500 -0.341 0.000 1.066 211 K HN 0.076 nan 8.250 nan 0.000 0.450 212 K N 0.981 121.290 120.400 -0.153 0.000 2.025 212 K HA -0.027 4.294 4.320 0.000 0.000 0.207 212 K C 0.223 176.743 176.600 -0.133 0.000 1.049 212 K CA 1.152 57.368 56.287 -0.117 0.000 0.933 212 K CB 0.182 32.634 32.500 -0.079 0.000 0.714 212 K HN 0.440 nan 8.250 nan 0.000 0.438 213 N N 1.303 119.913 118.700 -0.150 0.000 2.716 213 N HA 0.194 4.934 4.740 0.000 0.000 0.253 213 N C -2.886 172.488 175.510 -0.227 0.000 1.170 213 N CA -1.128 51.837 53.050 -0.141 0.000 0.807 213 N CB 1.672 40.121 38.487 -0.064 0.000 1.183 213 N HN 0.013 nan 8.380 nan 0.000 0.524 214 P HA 0.121 nan 4.420 nan 0.000 0.271 214 P C -0.266 176.662 177.300 -0.619 0.000 1.216 214 P CA -0.177 62.425 63.100 -0.829 0.000 0.776 214 P CB 1.186 31.744 31.700 -1.902 0.000 0.881 215 M N 2.301 121.630 119.600 -0.450 0.000 2.446 215 M HA 0.652 5.132 4.480 0.000 0.000 0.294 215 M C -1.142 175.107 176.300 -0.084 0.000 1.158 215 M CA -0.336 54.792 55.300 -0.287 0.000 0.899 215 M CB 2.578 35.041 32.600 -0.229 0.000 1.687 215 M HN 0.559 nan 8.290 nan 0.000 0.455 216 G N 3.482 112.337 108.800 0.093 0.000 2.619 216 G HA2 0.842 4.802 3.960 0.000 0.000 0.296 216 G HA3 0.842 4.802 3.960 0.000 0.000 0.296 216 G C -2.025 172.969 174.900 0.157 0.000 1.334 216 G CA -0.618 44.567 45.100 0.142 0.000 0.934 216 G HN 0.798 nan 8.290 nan 0.000 0.476 217 F N -0.360 119.548 119.950 -0.069 0.000 2.641 217 F HA 0.752 5.279 4.527 0.000 0.000 0.308 217 F C -0.189 175.592 175.800 -0.033 0.000 1.105 217 F CA -1.469 56.490 58.000 -0.068 0.000 0.964 217 F CB 1.328 40.271 39.000 -0.095 0.000 1.294 217 F HN 0.626 nan 8.300 nan 0.000 0.442 218 S N 1.668 117.440 115.700 0.120 0.000 2.562 218 S HA 0.553 5.023 4.470 0.000 0.000 0.275 218 S C -1.378 173.404 174.600 0.303 0.000 1.281 218 S CA -0.488 57.771 58.200 0.099 0.000 1.045 218 S CB 1.277 64.514 63.200 0.062 0.000 0.962 218 S HN 0.839 nan 8.310 nan 0.000 0.503 219 Y N 1.628 122.031 120.300 0.172 0.000 2.345 219 Y HA 0.386 4.936 4.550 0.000 0.000 0.331 219 Y C -0.749 175.276 175.900 0.209 0.000 0.959 219 Y CA -0.904 57.364 58.100 0.280 0.000 1.204 219 Y CB 1.156 39.883 38.460 0.444 0.000 1.135 219 Y HN 0.850 nan 8.280 nan 0.000 0.477 220 D N 4.547 124.834 120.400 -0.187 0.000 2.411 220 D HA 0.166 4.806 4.640 0.000 0.000 0.225 220 D C -0.523 175.650 176.300 -0.212 0.000 1.156 220 D CA 0.030 53.963 54.000 -0.112 0.000 0.874 220 D CB 0.735 41.492 40.800 -0.071 0.000 1.034 220 D HN 0.457 nan 8.370 nan 0.000 0.502 221 T N 3.678 118.272 114.554 0.067 0.000 2.870 221 T HA 0.083 4.433 4.350 0.000 0.000 0.300 221 T C 0.555 175.350 174.700 0.159 0.000 0.989 221 T CA -0.349 61.872 62.100 0.201 0.000 1.139 221 T CB 0.607 69.819 68.868 0.574 0.000 0.920 221 T HN 0.300 nan 8.240 nan 0.000 0.537 222 R N 2.223 122.778 120.500 0.091 0.000 2.404 222 R HA 0.136 4.477 4.340 0.000 0.000 0.315 222 R C -0.114 176.304 176.300 0.197 0.000 1.032 222 R CA -0.304 55.850 56.100 0.089 0.000 0.992 222 R CB -0.555 29.740 30.300 -0.009 0.000 0.959 222 R HN 0.955 nan 8.270 nan 0.000 0.428 223 C N 5.556 124.997 119.300 0.236 0.000 3.112 223 C HA -0.168 4.292 4.460 0.000 0.000 0.265 223 C C 1.388 176.584 174.990 0.343 0.000 1.283 223 C CA 0.027 59.230 59.018 0.307 0.000 2.378 223 C CB -2.944 25.028 27.740 0.386 0.000 1.500 223 C HN 1.017 nan 8.230 nan 0.000 0.483 224 F N 1.831 121.900 119.950 0.197 0.000 2.087 224 F HA -0.217 4.310 4.527 0.000 0.000 0.299 224 F C 2.007 177.912 175.800 0.174 0.000 1.100 224 F CA 2.467 60.581 58.000 0.191 0.000 1.226 224 F CB 0.026 39.129 39.000 0.171 0.000 0.983 224 F HN 0.502 nan 8.300 nan 0.000 0.479 225 D N -0.469 120.160 120.400 0.381 0.000 2.123 225 D HA -0.167 4.473 4.640 0.000 0.000 0.196 225 D C 2.443 178.791 176.300 0.081 0.000 0.992 225 D CA 1.660 55.810 54.000 0.249 0.000 0.833 225 D CB -0.570 40.380 40.800 0.251 0.000 0.954 225 D HN 0.245 nan 8.370 nan 0.000 0.455 226 S N -0.373 115.379 115.700 0.087 0.000 2.423 226 S HA -0.109 4.361 4.470 0.000 0.000 0.231 226 S C 2.072 176.583 174.600 -0.147 0.000 1.014 226 S CA 1.423 59.561 58.200 -0.104 0.000 0.965 226 S CB -0.245 62.865 63.200 -0.150 0.000 0.785 226 S HN 0.538 nan 8.310 nan 0.000 0.495 227 T N -0.334 114.226 114.554 0.009 0.000 3.055 227 T HA 0.100 4.450 4.350 0.000 0.000 0.265 227 T C 0.666 175.288 174.700 -0.130 0.000 1.111 227 T CA 0.111 62.215 62.100 0.008 0.000 1.118 227 T CB -0.457 68.384 68.868 -0.045 0.000 0.909 227 T HN 0.047 nan 8.240 nan 0.000 0.501 228 V N 3.946 123.752 119.914 -0.180 0.000 2.479 228 V HA 0.319 4.439 4.120 0.000 0.000 0.281 228 V C 1.136 177.174 176.094 -0.093 0.000 1.031 228 V CA -0.147 62.072 62.300 -0.134 0.000 1.038 228 V CB 0.130 31.917 31.823 -0.061 0.000 0.981 228 V HN 0.734 nan 8.190 nan 0.000 0.478 229 T N 0.850 115.363 114.554 -0.067 0.000 2.923 229 T HA 0.329 4.679 4.350 0.000 0.000 0.281 229 T C 1.028 175.707 174.700 -0.035 0.000 0.995 229 T CA -0.299 61.765 62.100 -0.059 0.000 0.985 229 T CB 1.552 70.390 68.868 -0.049 0.000 1.114 229 T HN 0.680 nan 8.240 nan 0.000 0.548 230 E N 0.416 120.597 120.200 -0.031 0.000 2.077 230 E HA -0.265 4.086 4.350 0.000 0.000 0.193 230 E C 1.925 178.525 176.600 -0.001 0.000 0.989 230 E CA 1.583 57.977 56.400 -0.009 0.000 0.800 230 E CB -0.259 29.436 29.700 -0.008 0.000 0.746 230 E HN 0.761 nan 8.360 nan 0.000 0.452 231 N N 0.742 119.435 118.700 -0.012 0.000 2.061 231 N HA -0.215 4.525 4.740 0.000 0.000 0.193 231 N C 1.456 176.975 175.510 0.014 0.000 1.030 231 N CA 2.214 55.261 53.050 -0.005 0.000 0.856 231 N CB -0.135 38.334 38.487 -0.030 0.000 1.023 231 N HN 0.145 nan 8.380 nan 0.000 0.424 232 D N -0.137 120.269 120.400 0.011 0.000 2.117 232 D HA -0.111 4.529 4.640 0.000 0.000 0.197 232 D C 1.943 178.254 176.300 0.018 0.000 0.987 232 D CA 1.004 55.024 54.000 0.033 0.000 0.829 232 D CB -0.213 40.600 40.800 0.022 0.000 0.961 232 D HN 0.480 nan 8.370 nan 0.000 0.460 233 I N 0.494 121.075 120.570 0.018 0.000 2.406 233 I HA -0.134 4.036 4.170 0.000 0.000 0.249 233 I C 2.442 178.572 176.117 0.021 0.000 1.122 233 I CA 0.686 62.005 61.300 0.031 0.000 1.431 233 I CB -0.027 38.014 38.000 0.068 0.000 1.087 233 I HN -0.138 nan 8.210 nan 0.000 0.424 234 R N 0.186 120.697 120.500 0.019 0.000 2.092 234 R HA -0.088 4.252 4.340 0.000 0.000 0.231 234 R C 2.328 178.613 176.300 -0.024 0.000 1.119 234 R CA 1.118 57.224 56.100 0.010 0.000 0.970 234 R CB -0.524 29.785 30.300 0.014 0.000 0.864 234 R HN 0.203 nan 8.270 nan 0.000 0.440 235 V N 2.318 122.220 119.914 -0.019 0.000 2.343 235 V HA -0.277 3.844 4.120 0.000 0.000 0.247 235 V C 2.489 178.503 176.094 -0.134 0.000 1.051 235 V CA 2.259 64.536 62.300 -0.038 0.000 1.036 235 V CB -0.641 31.200 31.823 0.030 0.000 0.654 235 V HN 0.505 nan 8.190 nan 0.000 0.451 236 E N 0.252 120.344 120.200 -0.181 0.000 2.110 236 E HA -0.293 4.057 4.350 0.000 0.000 0.193 236 E C 2.147 178.296 176.600 -0.752 0.000 0.988 236 E CA 1.630 57.778 56.400 -0.421 0.000 0.804 236 E CB -0.491 29.004 29.700 -0.342 0.000 0.745 236 E HN 0.666 nan 8.360 nan 0.000 0.458 237 E N 1.087 121.056 120.200 -0.385 0.000 2.118 237 E HA -0.208 4.142 4.350 0.000 0.000 0.195 237 E C 2.231 178.763 176.600 -0.113 0.000 0.992 237 E CA 1.728 58.030 56.400 -0.163 0.000 0.804 237 E CB -0.041 29.695 29.700 0.059 0.000 0.741 237 E HN 0.432 nan 8.360 nan 0.000 0.458 238 S N 0.120 115.750 115.700 -0.115 0.000 2.423 238 S HA -0.116 4.355 4.470 0.000 0.000 0.231 238 S C 2.052 176.603 174.600 -0.081 0.000 1.014 238 S CA 0.821 58.983 58.200 -0.064 0.000 0.965 238 S CB -0.447 62.722 63.200 -0.050 0.000 0.785 238 S HN 0.271 nan 8.310 nan 0.000 0.495 239 I N 0.011 120.477 120.570 -0.174 0.000 2.233 239 I HA -0.092 4.079 4.170 0.000 0.000 0.243 239 I C 2.289 178.388 176.117 -0.031 0.000 1.093 239 I CA 1.108 62.322 61.300 -0.142 0.000 1.380 239 I CB -0.496 37.379 38.000 -0.208 0.000 1.067 239 I HN 0.195 nan 8.210 nan 0.000 0.413 240 Y N 1.225 121.519 120.300 -0.009 0.000 2.165 240 Y HA -0.256 4.295 4.550 0.000 0.000 0.286 240 Y C 2.695 178.597 175.900 0.004 0.000 1.155 240 Y CA 0.781 58.880 58.100 -0.002 0.000 1.164 240 Y CB -1.159 37.314 38.460 0.022 0.000 0.978 240 Y HN 0.237 nan 8.280 nan 0.000 0.513 241 Q N -1.106 118.789 119.800 0.158 0.000 2.364 241 Q HA -0.143 4.197 4.340 0.000 0.000 0.209 241 Q C 2.391 178.424 176.000 0.055 0.000 0.977 241 Q CA 1.094 56.952 55.803 0.093 0.000 0.885 241 Q CB -0.916 27.860 28.738 0.063 0.000 0.941 241 Q HN 0.529 nan 8.270 nan 0.000 0.464 242 C N 0.249 119.574 119.300 0.041 0.000 2.419 242 C HA -0.067 4.393 4.460 0.000 0.000 0.281 242 C C 1.610 176.615 174.990 0.025 0.000 1.336 242 C CA -0.652 58.379 59.018 0.021 0.000 1.770 242 C CB -0.773 26.969 27.740 0.004 0.000 1.929 242 C HN 0.411 nan 8.230 nan 0.000 0.509 243 C N 1.842 121.167 119.300 0.041 0.000 2.700 243 C HA 0.123 4.583 4.460 0.000 0.000 0.397 243 C C 0.573 175.580 174.990 0.028 0.000 1.301 243 C CA -0.301 58.736 59.018 0.031 0.000 2.219 243 C CB -0.277 27.486 27.740 0.038 0.000 2.699 243 C HN 0.496 nan 8.230 nan 0.000 0.669 244 D N 1.774 122.186 120.400 0.020 0.000 2.346 244 D HA 0.406 5.046 4.640 0.000 0.000 0.260 244 D C -0.617 175.699 176.300 0.027 0.000 1.252 244 D CA 0.429 54.441 54.000 0.020 0.000 0.895 244 D CB 0.010 40.818 40.800 0.013 0.000 1.097 244 D HN 0.378 nan 8.370 nan 0.000 0.489 245 L N 2.145 123.388 121.223 0.034 0.000 2.354 245 L HA 0.631 4.971 4.340 0.000 0.000 0.264 245 L C 0.392 177.291 176.870 0.047 0.000 1.008 245 L CA -1.447 53.420 54.840 0.044 0.000 0.819 245 L CB 1.821 43.913 42.059 0.055 0.000 1.339 245 L HN 0.314 nan 8.230 nan 0.000 0.420 246 A N 2.106 124.961 122.820 0.058 0.000 2.531 246 A HA 0.293 4.613 4.320 0.000 0.000 0.236 246 A C -1.732 175.895 177.584 0.072 0.000 1.062 246 A CA -0.718 51.358 52.037 0.065 0.000 0.760 246 A CB -0.231 18.817 19.000 0.081 0.000 0.995 246 A HN 0.644 nan 8.150 nan 0.000 0.501 247 P HA -0.195 nan 4.420 nan 0.000 0.216 247 P C 1.122 178.458 177.300 0.061 0.000 1.153 247 P CA 1.706 64.836 63.100 0.050 0.000 0.858 247 P CB 0.130 31.854 31.700 0.041 0.000 0.789 248 E N -0.628 119.637 120.200 0.108 0.000 2.077 248 E HA -0.155 4.195 4.350 0.000 0.000 0.193 248 E C 2.093 178.790 176.600 0.162 0.000 0.989 248 E CA 1.230 57.723 56.400 0.155 0.000 0.800 248 E CB -0.530 29.376 29.700 0.343 0.000 0.746 248 E HN 0.169 nan 8.360 nan 0.000 0.452 249 A N 1.819 124.768 122.820 0.214 0.000 1.902 249 A HA -0.211 4.110 4.320 0.000 0.000 0.217 249 A C 2.095 179.732 177.584 0.089 0.000 1.181 249 A CA 1.281 53.438 52.037 0.200 0.000 0.623 249 A CB -0.437 18.664 19.000 0.168 0.000 0.818 249 A HN 0.100 nan 8.150 nan 0.000 0.443 250 R N -1.081 119.455 120.500 0.061 0.000 2.091 250 R HA -0.204 4.136 4.340 0.000 0.000 0.238 250 R C 2.478 178.778 176.300 -0.001 0.000 1.136 250 R CA 1.773 57.895 56.100 0.038 0.000 0.959 250 R CB -0.330 29.989 30.300 0.032 0.000 0.856 250 R HN 0.671 nan 8.270 nan 0.000 0.437 251 Q N 0.677 120.453 119.800 -0.039 0.000 2.079 251 Q HA -0.045 4.296 4.340 0.000 0.000 0.200 251 Q C 1.940 177.840 176.000 -0.166 0.000 0.974 251 Q CA 1.839 57.585 55.803 -0.095 0.000 0.840 251 Q CB -0.155 28.514 28.738 -0.116 0.000 0.898 251 Q HN 0.329 nan 8.270 nan 0.000 0.430 252 A N 0.103 122.774 122.820 -0.249 0.000 1.930 252 A HA -0.098 4.222 4.320 0.000 0.000 0.217 252 A C 2.093 179.583 177.584 -0.157 0.000 1.175 252 A CA 1.325 53.141 52.037 -0.368 0.000 0.627 252 A CB -0.668 17.922 19.000 -0.684 0.000 0.815 252 A HN 0.473 nan 8.150 nan 0.000 0.443 253 I N -0.413 120.134 120.570 -0.038 0.000 2.179 253 I HA -0.278 3.893 4.170 0.000 0.000 0.242 253 I C 2.526 178.677 176.117 0.056 0.000 1.088 253 I CA 1.907 63.242 61.300 0.059 0.000 1.357 253 I CB -0.247 37.822 38.000 0.115 0.000 1.051 253 I HN 0.388 nan 8.210 nan 0.000 0.409 254 K N 0.588 120.998 120.400 0.018 0.000 2.032 254 K HA -0.237 4.083 4.320 0.000 0.000 0.209 254 K C 2.376 178.952 176.600 -0.040 0.000 1.048 254 K CA 2.040 58.330 56.287 0.006 0.000 0.927 254 K CB -0.189 32.304 32.500 -0.011 0.000 0.712 254 K HN 0.108 nan 8.250 nan 0.000 0.441 255 S N 0.540 116.183 115.700 -0.094 0.000 2.359 255 S HA -0.106 4.364 4.470 0.000 0.000 0.224 255 S C 1.932 176.432 174.600 -0.168 0.000 1.035 255 S CA 1.364 59.484 58.200 -0.132 0.000 1.018 255 S CB -0.284 62.806 63.200 -0.184 0.000 0.876 255 S HN 0.355 nan 8.310 nan 0.000 0.448 256 L N 0.636 121.726 121.223 -0.221 0.000 2.083 256 L HA -0.104 4.236 4.340 0.000 0.000 0.209 256 L C 2.736 179.294 176.870 -0.519 0.000 1.083 256 L CA 1.471 56.051 54.840 -0.433 0.000 0.752 256 L CB -1.015 40.741 42.059 -0.504 0.000 0.899 256 L HN 0.332 nan 8.230 nan 0.000 0.433 257 T N -0.835 113.617 114.554 -0.170 0.000 2.643 257 T HA -0.167 4.183 4.350 0.000 0.000 0.264 257 T C 1.793 176.494 174.700 0.001 0.000 1.045 257 T CA 1.331 63.466 62.100 0.058 0.000 1.155 257 T CB -0.126 68.844 68.868 0.171 0.000 0.863 257 T HN 0.312 nan 8.240 nan 0.000 0.420 258 E N 1.087 121.271 120.200 -0.027 0.000 2.072 258 E HA -0.054 4.296 4.350 0.000 0.000 0.191 258 E C 2.361 178.940 176.600 -0.035 0.000 0.985 258 E CA 1.021 57.410 56.400 -0.019 0.000 0.801 258 E CB -0.168 29.517 29.700 -0.025 0.000 0.750 258 E HN 0.469 nan 8.360 nan 0.000 0.452 259 R N -0.486 119.964 120.500 -0.083 0.000 2.223 259 R HA 0.106 4.446 4.340 0.000 0.000 0.198 259 R C 1.880 178.119 176.300 -0.101 0.000 0.984 259 R CA 0.282 56.334 56.100 -0.080 0.000 1.018 259 R CB 0.252 30.495 30.300 -0.095 0.000 0.945 259 R HN 0.050 nan 8.270 nan 0.000 0.479 260 L N -2.235 118.888 121.223 -0.167 0.000 2.691 260 L HA 0.194 4.535 4.340 0.000 0.000 0.185 260 L C 1.267 178.127 176.870 -0.017 0.000 1.081 260 L CA 0.718 55.462 54.840 -0.160 0.000 0.865 260 L CB -0.221 41.657 42.059 -0.300 0.000 1.370 260 L HN -0.141 nan 8.230 nan 0.000 0.488 261 Y N 0.443 120.757 120.300 0.023 0.000 2.200 261 Y HA -0.034 4.516 4.550 0.000 0.000 0.290 261 Y C 2.562 178.469 175.900 0.012 0.000 1.137 261 Y CA 1.390 59.513 58.100 0.037 0.000 1.163 261 Y CB -0.864 37.641 38.460 0.076 0.000 0.988 261 Y HN 0.122 nan 8.280 nan 0.000 0.518 262 I N -0.923 119.740 120.570 0.154 0.000 2.361 262 I HA -0.100 4.070 4.170 0.000 0.000 0.251 262 I C 1.222 177.353 176.117 0.023 0.000 1.133 262 I CA 1.445 62.790 61.300 0.076 0.000 1.413 262 I CB -0.409 37.626 38.000 0.059 0.000 1.073 262 I HN 0.321 nan 8.210 nan 0.000 0.424 263 G N -1.104 107.691 108.800 -0.009 0.000 2.341 263 G HA2 0.471 4.431 3.960 0.000 0.000 0.293 263 G HA3 0.471 4.431 3.960 0.000 0.000 0.293 263 G C -0.974 173.774 174.900 -0.252 0.000 1.298 263 G CA -0.205 44.821 45.100 -0.122 0.000 0.868 263 G HN 0.436 nan 8.290 nan 0.000 0.540 264 G N -1.011 107.355 108.800 -0.724 0.000 2.321 264 G HA2 0.700 4.660 3.960 0.000 0.000 0.298 264 G HA3 0.700 4.660 3.960 0.000 0.000 0.298 264 G C -3.500 170.745 174.900 -1.092 0.000 1.385 264 G CA 0.104 44.727 45.100 -0.795 0.000 0.856 264 G HN 0.790 nan 8.290 nan 0.000 0.584 265 P HA 0.504 nan 4.420 nan 0.000 0.275 265 P C -0.573 176.640 177.300 -0.144 0.000 1.228 265 P CA -0.208 62.776 63.100 -0.193 0.000 0.786 265 P CB 1.193 32.912 31.700 0.032 0.000 0.927 266 L N 2.166 123.354 121.223 -0.059 0.000 2.322 266 L HA 0.517 4.857 4.340 0.000 0.000 0.281 266 L C 0.432 177.312 176.870 0.017 0.000 1.014 266 L CA -0.203 54.629 54.840 -0.014 0.000 0.815 266 L CB 1.774 43.870 42.059 0.061 0.000 1.247 266 L HN 0.273 nan 8.230 nan 0.000 0.421 267 T N 1.152 115.693 114.554 -0.022 0.000 2.861 267 T HA 0.349 4.700 4.350 0.000 0.000 0.287 267 T C -0.301 174.379 174.700 -0.033 0.000 1.003 267 T CA -0.859 61.230 62.100 -0.020 0.000 0.977 267 T CB 1.593 70.434 68.868 -0.044 0.000 0.996 267 T HN 0.662 nan 8.240 nan 0.000 0.448 268 N N 0.578 119.274 118.700 -0.008 0.000 2.364 268 N HA 0.135 4.875 4.740 0.000 0.000 0.264 268 N C 1.444 176.941 175.510 -0.021 0.000 1.263 268 N CA -0.261 52.783 53.050 -0.010 0.000 0.959 268 N CB 0.097 38.587 38.487 0.005 0.000 1.204 268 N HN 0.460 nan 8.380 nan 0.000 0.550 269 S N -1.148 114.549 115.700 -0.005 0.000 2.442 269 S HA -0.110 4.360 4.470 0.000 0.000 0.236 269 S C 1.049 175.643 174.600 -0.009 0.000 1.007 269 S CA 0.729 58.929 58.200 0.001 0.000 0.965 269 S CB -0.445 62.771 63.200 0.026 0.000 0.773 269 S HN 0.630 nan 8.310 nan 0.000 0.504 270 K N 0.720 121.115 120.400 -0.008 0.000 2.444 270 K HA 0.263 4.583 4.320 0.000 0.000 0.193 270 K C 1.197 177.786 176.600 -0.018 0.000 1.024 270 K CA 0.360 56.641 56.287 -0.011 0.000 1.077 270 K CB -0.143 32.355 32.500 -0.004 0.000 0.833 270 K HN 0.545 nan 8.250 nan 0.000 0.517 271 G N 1.791 110.577 108.800 -0.024 0.000 2.143 271 G HA2 -0.290 3.671 3.960 0.000 0.000 0.249 271 G HA3 -0.290 3.671 3.960 0.000 0.000 0.249 271 G C -0.306 174.587 174.900 -0.012 0.000 0.981 271 G CA -0.084 44.998 45.100 -0.029 0.000 0.665 271 G HN 0.349 nan 8.290 nan 0.000 0.528 272 Q N 0.139 119.938 119.800 -0.002 0.000 2.235 272 Q HA 0.339 4.679 4.340 0.000 0.000 0.250 272 Q C 0.434 176.449 176.000 0.025 0.000 0.909 272 Q CA -0.602 55.208 55.803 0.012 0.000 0.910 272 Q CB 1.018 29.766 28.738 0.016 0.000 1.223 272 Q HN 0.398 nan 8.270 nan 0.000 0.432 273 N N 1.671 120.394 118.700 0.037 0.000 2.442 273 N HA 0.003 4.743 4.740 0.000 0.000 0.265 273 N C -0.358 175.205 175.510 0.087 0.000 1.138 273 N CA -0.250 52.834 53.050 0.057 0.000 0.956 273 N CB 0.635 39.157 38.487 0.059 0.000 1.067 273 N HN 0.605 nan 8.380 nan 0.000 0.474 274 C N 2.856 122.227 119.300 0.119 0.000 2.865 274 C HA 0.430 4.890 4.460 0.000 0.000 0.280 274 C C 1.196 176.372 174.990 0.309 0.000 1.255 274 C CA 0.576 59.715 59.018 0.203 0.000 1.705 274 C CB -0.971 26.899 27.740 0.217 0.000 2.080 274 C HN 0.978 nan 8.230 nan 0.000 0.591 275 G N -0.997 107.918 108.800 0.192 0.000 2.288 275 G HA2 0.199 4.159 3.960 0.000 0.000 0.227 275 G HA3 0.199 4.159 3.960 0.000 0.000 0.227 275 G C -1.972 172.986 174.900 0.097 0.000 1.339 275 G CA -0.416 44.761 45.100 0.128 0.000 1.057 275 G HN 0.037 nan 8.290 nan 0.000 0.470 276 Y N 0.795 121.004 120.300 -0.151 0.000 2.492 276 Y HA 0.764 5.314 4.550 0.000 0.000 0.346 276 Y C 0.040 175.844 175.900 -0.160 0.000 0.997 276 Y CA -0.827 57.199 58.100 -0.123 0.000 1.025 276 Y CB 2.003 40.396 38.460 -0.112 0.000 1.263 276 Y HN 0.701 nan 8.280 nan 0.000 0.454 277 R N 4.604 124.862 120.500 -0.404 0.000 2.393 277 R HA 0.540 4.880 4.340 0.000 0.000 0.310 277 R C -0.722 175.400 176.300 -0.297 0.000 0.968 277 R CA -0.576 55.320 56.100 -0.341 0.000 0.867 277 R CB 0.915 31.090 30.300 -0.207 0.000 1.124 277 R HN 0.918 nan 8.270 nan 0.000 0.450 278 R N 3.057 123.364 120.500 -0.320 0.000 2.659 278 R HA 0.212 4.553 4.340 0.000 0.000 0.418 278 R C -0.560 175.599 176.300 -0.235 0.000 1.076 278 R CA -0.298 55.697 56.100 -0.176 0.000 1.093 278 R CB 0.433 30.672 30.300 -0.103 0.000 1.400 278 R HN 0.763 nan 8.270 nan 0.000 0.583 279 C N -1.912 117.202 119.300 -0.309 0.000 3.336 279 C HA 0.615 5.075 4.460 0.000 0.000 0.352 279 C C -0.284 174.637 174.990 -0.116 0.000 1.567 279 C CA -1.595 57.278 59.018 -0.241 0.000 1.328 279 C CB 1.301 28.818 27.740 -0.372 0.000 1.922 279 C HN 0.358 nan 8.230 nan 0.000 0.439 280 R N 1.294 121.773 120.500 -0.035 0.000 2.502 280 R HA 0.445 4.786 4.340 0.000 0.000 0.292 280 R C 0.180 176.534 176.300 0.089 0.000 0.998 280 R CA 1.033 57.166 56.100 0.055 0.000 1.056 280 R CB -0.268 30.101 30.300 0.116 0.000 0.939 280 R HN 1.215 nan 8.270 nan 0.000 0.411 281 A N 3.629 126.517 122.820 0.113 0.000 2.401 281 A HA 0.226 4.546 4.320 0.000 0.000 0.259 281 A C 0.926 178.608 177.584 0.165 0.000 1.103 281 A CA 0.099 52.228 52.037 0.153 0.000 0.789 281 A CB 0.455 19.553 19.000 0.164 0.000 1.035 281 A HN 1.003 nan 8.150 nan 0.000 0.491 282 S N 1.754 117.567 115.700 0.187 0.000 2.527 282 S HA 0.116 4.586 4.470 0.000 0.000 0.222 282 S C 1.053 175.750 174.600 0.162 0.000 0.985 282 S CA 0.609 58.914 58.200 0.174 0.000 0.921 282 S CB 0.131 63.441 63.200 0.182 0.000 0.772 282 S HN 1.249 nan 8.310 nan 0.000 0.529 283 G N 1.939 110.858 108.800 0.198 0.000 4.433 283 G HA2 0.515 4.476 3.960 0.000 0.000 0.304 283 G HA3 0.515 4.476 3.960 0.000 0.000 0.304 283 G C -0.098 174.929 174.900 0.211 0.000 1.254 283 G CA -0.149 45.074 45.100 0.204 0.000 0.999 283 G HN 0.528 nan 8.290 nan 0.000 0.576 284 V N -2.447 117.573 119.914 0.176 0.000 3.019 284 V HA 0.587 4.707 4.120 0.000 0.000 0.317 284 V C 1.444 177.608 176.094 0.117 0.000 1.094 284 V CA -0.941 61.477 62.300 0.196 0.000 1.000 284 V CB 1.755 33.764 31.823 0.309 0.000 1.060 284 V HN 0.068 nan 8.190 nan 0.000 0.443 285 L N 2.529 123.835 121.223 0.138 0.000 2.079 285 L HA -0.071 4.269 4.340 0.000 0.000 0.210 285 L C 2.321 179.204 176.870 0.021 0.000 1.081 285 L CA 3.066 57.971 54.840 0.108 0.000 0.752 285 L CB -0.698 41.451 42.059 0.149 0.000 0.896 285 L HN 1.099 nan 8.230 nan 0.000 0.433 286 T N -5.947 108.537 114.554 -0.116 0.000 3.129 286 T HA -0.000 4.350 4.350 0.000 0.000 0.251 286 T C 1.571 176.210 174.700 -0.101 0.000 1.117 286 T CA 0.694 62.682 62.100 -0.186 0.000 1.034 286 T CB -0.729 67.885 68.868 -0.422 0.000 0.968 286 T HN 0.289 nan 8.240 nan 0.000 0.526 287 T N 2.078 116.603 114.554 -0.048 0.000 2.635 287 T HA -0.189 4.161 4.350 0.000 0.000 0.267 287 T C 2.192 176.914 174.700 0.037 0.000 1.040 287 T CA 1.914 64.026 62.100 0.021 0.000 1.156 287 T CB -0.706 68.198 68.868 0.062 0.000 0.863 287 T HN 0.562 nan 8.240 nan 0.000 0.430 288 S N -0.350 115.350 115.700 -0.000 0.000 2.345 288 S HA -0.141 4.330 4.470 0.000 0.000 0.220 288 S C 2.448 177.075 174.600 0.046 0.000 1.031 288 S CA 1.376 59.570 58.200 -0.010 0.000 0.996 288 S CB -0.963 62.128 63.200 -0.181 0.000 0.882 288 S HN 0.665 nan 8.310 nan 0.000 0.445 289 C N 1.325 120.625 119.300 -0.000 0.000 2.432 289 C HA 0.086 4.547 4.460 0.000 0.000 0.277 289 C C 2.843 177.887 174.990 0.089 0.000 1.249 289 C CA 1.137 60.173 59.018 0.031 0.000 1.725 289 C CB -1.821 25.912 27.740 -0.013 0.000 2.028 289 C HN 0.725 nan 8.230 nan 0.000 0.477 290 G N 0.477 109.338 108.800 0.101 0.000 2.446 290 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 290 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 290 G C 1.511 176.499 174.900 0.147 0.000 1.168 290 G CA 1.156 46.322 45.100 0.111 0.000 0.771 290 G HN 0.592 nan 8.290 nan 0.000 0.551 291 N N 0.285 119.084 118.700 0.165 0.000 2.166 291 N HA -0.067 4.673 4.740 0.000 0.000 0.186 291 N C 2.397 177.976 175.510 0.116 0.000 1.019 291 N CA 1.544 54.721 53.050 0.213 0.000 0.856 291 N CB -0.644 37.879 38.487 0.060 0.000 0.993 291 N HN 0.261 nan 8.380 nan 0.000 0.426 292 T N 1.695 116.317 114.554 0.112 0.000 2.701 292 T HA 0.009 4.359 4.350 0.000 0.000 0.263 292 T C 2.153 176.940 174.700 0.145 0.000 1.040 292 T CA 0.678 62.859 62.100 0.134 0.000 1.147 292 T CB -0.365 68.651 68.868 0.246 0.000 0.865 292 T HN 0.107 nan 8.240 nan 0.000 0.426 293 L N 0.699 121.982 121.223 0.099 0.000 2.013 293 L HA -0.168 4.172 4.340 0.000 0.000 0.212 293 L C 2.932 179.897 176.870 0.158 0.000 1.073 293 L CA 1.387 56.274 54.840 0.078 0.000 0.753 293 L CB -1.102 40.958 42.059 0.001 0.000 0.890 293 L HN 0.294 nan 8.230 nan 0.000 0.432 294 T N -1.545 113.123 114.554 0.189 0.000 2.812 294 T HA -0.209 4.141 4.350 0.000 0.000 0.264 294 T C 2.025 176.922 174.700 0.329 0.000 1.042 294 T CA 1.360 63.602 62.100 0.236 0.000 1.140 294 T CB -0.430 68.601 68.868 0.272 0.000 0.870 294 T HN 0.449 nan 8.240 nan 0.000 0.445 295 C N 0.721 120.274 119.300 0.421 0.000 2.413 295 C HA -0.120 4.341 4.460 0.000 0.000 0.276 295 C C 2.394 177.544 174.990 0.266 0.000 1.236 295 C CA 0.686 59.933 59.018 0.382 0.000 1.735 295 C CB -1.343 26.493 27.740 0.161 0.000 2.031 295 C HN 0.671 nan 8.230 nan 0.000 0.474 296 Y N 0.702 121.067 120.300 0.108 0.000 2.200 296 Y HA -0.084 4.466 4.550 0.000 0.000 0.290 296 Y C 2.155 178.077 175.900 0.037 0.000 1.137 296 Y CA 1.930 60.071 58.100 0.068 0.000 1.163 296 Y CB -0.528 37.958 38.460 0.043 0.000 0.988 296 Y HN 0.322 nan 8.280 nan 0.000 0.518 297 L N 1.184 122.495 121.223 0.147 0.000 1.970 297 L HA -0.221 4.119 4.340 0.000 0.000 0.212 297 L C 2.171 178.975 176.870 -0.111 0.000 1.071 297 L CA 2.102 56.914 54.840 -0.047 0.000 0.751 297 L CB -0.927 41.081 42.059 -0.086 0.000 0.889 297 L HN 0.150 nan 8.230 nan 0.000 0.432 298 K N -0.643 119.760 120.400 0.004 0.000 2.026 298 K HA -0.112 4.208 4.320 0.000 0.000 0.208 298 K C 2.072 178.702 176.600 0.050 0.000 1.048 298 K CA 1.436 57.740 56.287 0.030 0.000 0.929 298 K CB -0.439 32.157 32.500 0.160 0.000 0.713 298 K HN 0.514 nan 8.250 nan 0.000 0.439 299 A N 0.908 123.743 122.820 0.025 0.000 1.898 299 A HA -0.135 4.186 4.320 0.000 0.000 0.216 299 A C 2.215 179.813 177.584 0.023 0.000 1.181 299 A CA 1.750 53.813 52.037 0.043 0.000 0.620 299 A CB -0.538 18.562 19.000 0.166 0.000 0.819 299 A HN 0.167 nan 8.150 nan 0.000 0.442 300 S N -0.140 115.464 115.700 -0.160 0.000 2.370 300 S HA -0.076 4.395 4.470 0.000 0.000 0.226 300 S C 2.244 176.786 174.600 -0.097 0.000 1.033 300 S CA 1.292 59.357 58.200 -0.225 0.000 1.011 300 S CB -0.393 62.513 63.200 -0.490 0.000 0.852 300 S HN 0.789 nan 8.310 nan 0.000 0.457 301 A N 1.147 123.936 122.820 -0.051 0.000 1.929 301 A HA 0.310 4.630 4.320 0.000 0.000 0.216 301 A C 2.294 179.943 177.584 0.109 0.000 1.176 301 A CA 1.358 53.427 52.037 0.054 0.000 0.628 301 A CB -0.845 18.212 19.000 0.095 0.000 0.816 301 A HN 0.491 nan 8.150 nan 0.000 0.444 302 A N -0.826 122.055 122.820 0.101 0.000 1.969 302 A HA -0.177 4.144 4.320 0.000 0.000 0.218 302 A C 2.354 179.948 177.584 0.017 0.000 1.169 302 A CA 1.571 53.526 52.037 -0.136 0.000 0.635 302 A CB -1.404 17.158 19.000 -0.729 0.000 0.810 302 A HN 0.933 nan 8.150 nan 0.000 0.445 303 C N 0.088 119.496 119.300 0.180 0.000 2.413 303 C HA -0.102 4.358 4.460 0.000 0.000 0.276 303 C C 2.793 177.797 174.990 0.024 0.000 1.248 303 C CA 1.443 60.598 59.018 0.229 0.000 1.742 303 C CB -1.304 26.533 27.740 0.161 0.000 2.017 303 C HN 0.631 nan 8.230 nan 0.000 0.481 304 R N 0.816 121.235 120.500 -0.136 0.000 2.075 304 R HA -0.018 4.323 4.340 0.000 0.000 0.232 304 R C 2.622 178.658 176.300 -0.440 0.000 1.126 304 R CA 1.536 57.410 56.100 -0.376 0.000 0.963 304 R CB -0.632 29.265 30.300 -0.672 0.000 0.858 304 R HN 0.628 nan 8.270 nan 0.000 0.435 305 A N 1.421 124.044 122.820 -0.328 0.000 1.908 305 A HA -0.121 4.199 4.320 0.000 0.000 0.218 305 A C 2.267 179.853 177.584 0.003 0.000 1.181 305 A CA 1.821 53.835 52.037 -0.039 0.000 0.627 305 A CB -0.544 18.481 19.000 0.043 0.000 0.818 305 A HN 0.400 nan 8.150 nan 0.000 0.445 306 A N -1.547 121.286 122.820 0.022 0.000 2.208 306 A HA 0.244 4.565 4.320 0.000 0.000 0.209 306 A C 1.006 178.615 177.584 0.042 0.000 1.161 306 A CA 0.864 52.939 52.037 0.062 0.000 0.782 306 A CB -0.423 18.673 19.000 0.159 0.000 0.816 306 A HN 0.507 nan 8.150 nan 0.000 0.477 307 K N -1.358 119.049 120.400 0.013 0.000 3.096 307 K HA -0.157 4.163 4.320 0.000 0.000 0.266 307 K C -0.929 175.681 176.600 0.017 0.000 1.043 307 K CA 0.117 56.407 56.287 0.006 0.000 0.758 307 K CB -1.766 30.742 32.500 0.015 0.000 1.260 307 K HN 0.330 nan 8.250 nan 0.000 0.481 308 L N 1.615 122.857 121.223 0.032 0.000 2.453 308 L HA 0.001 4.341 4.340 0.000 0.000 0.272 308 L C 0.919 177.795 176.870 0.010 0.000 1.182 308 L CA 0.930 55.790 54.840 0.033 0.000 0.858 308 L CB 0.549 42.645 42.059 0.062 0.000 1.120 308 L HN 0.112 nan 8.230 nan 0.000 0.474 309 Q N 2.237 122.037 119.800 0.000 0.000 2.257 309 Q HA 0.131 4.471 4.340 0.000 0.000 0.255 309 Q C -0.104 175.880 176.000 -0.026 0.000 0.920 309 Q CA -0.511 55.285 55.803 -0.012 0.000 0.927 309 Q CB 0.887 29.616 28.738 -0.015 0.000 1.229 309 Q HN 0.546 nan 8.270 nan 0.000 0.433 310 D N 0.875 121.260 120.400 -0.025 0.000 2.740 310 D HA -0.204 4.437 4.640 0.000 0.000 0.231 310 D C -0.876 175.398 176.300 -0.043 0.000 1.194 310 D CA 0.331 54.310 54.000 -0.035 0.000 0.673 310 D CB -0.812 39.959 40.800 -0.049 0.000 0.995 310 D HN 0.583 nan 8.370 nan 0.000 0.411 311 C N 1.994 121.276 119.300 -0.029 0.000 2.347 311 C HA 0.742 5.202 4.460 0.000 0.000 0.353 311 C C 0.283 175.257 174.990 -0.027 0.000 1.273 311 C CA -0.137 58.860 59.018 -0.034 0.000 1.861 311 C CB 0.329 28.060 27.740 -0.015 0.000 2.420 311 C HN 0.489 nan 8.230 nan 0.000 0.542 312 T N 8.109 122.636 114.554 -0.045 0.000 2.792 312 T HA 0.460 4.810 4.350 0.000 0.000 0.280 312 T C -0.376 174.322 174.700 -0.003 0.000 0.990 312 T CA -0.158 61.941 62.100 -0.002 0.000 0.960 312 T CB 1.237 70.085 68.868 -0.033 0.000 0.939 312 T HN 0.777 nan 8.240 nan 0.000 0.439 313 M N 3.119 122.763 119.600 0.073 0.000 2.472 313 M HA 0.605 5.085 4.480 0.000 0.000 0.331 313 M C -1.253 175.152 176.300 0.175 0.000 1.170 313 M CA -0.998 54.343 55.300 0.068 0.000 1.009 313 M CB 1.725 34.360 32.600 0.059 0.000 1.672 313 M HN 0.346 nan 8.290 nan 0.000 0.453 314 L N 4.015 125.305 121.223 0.113 0.000 2.372 314 L HA 0.669 5.009 4.340 0.000 0.000 0.274 314 L C -1.558 175.325 176.870 0.021 0.000 0.988 314 L CA -0.470 54.445 54.840 0.125 0.000 0.833 314 L CB 1.739 43.901 42.059 0.172 0.000 1.236 314 L HN 0.451 nan 8.230 nan 0.000 0.410 315 V N 4.196 124.105 119.914 -0.008 0.000 2.531 315 V HA 0.561 4.681 4.120 0.000 0.000 0.301 315 V C -0.736 175.201 176.094 -0.263 0.000 1.034 315 V CA -0.642 61.630 62.300 -0.048 0.000 0.865 315 V CB 1.849 33.739 31.823 0.111 0.000 0.995 315 V HN 0.772 nan 8.190 nan 0.000 0.424 316 N N 3.819 122.296 118.700 -0.371 0.000 2.682 316 N HA 0.613 5.353 4.740 0.000 0.000 0.252 316 N C 0.661 176.022 175.510 -0.248 0.000 1.081 316 N CA 0.540 53.131 53.050 -0.764 0.000 0.844 316 N CB 1.683 39.565 38.487 -1.008 0.000 1.167 316 N HN 1.055 nan 8.380 nan 0.000 0.523 317 G N 2.499 111.325 108.800 0.043 0.000 2.629 317 G HA2 -0.424 3.537 3.960 0.000 0.000 0.313 317 G HA3 -0.424 3.537 3.960 0.000 0.000 0.313 317 G C 0.602 175.360 174.900 -0.237 0.000 1.217 317 G CA 0.860 45.980 45.100 0.035 0.000 0.994 317 G HN 0.622 nan 8.290 nan 0.000 0.549 318 D N 1.230 121.385 120.400 -0.408 0.000 2.363 318 D HA 0.108 4.749 4.640 0.000 0.000 0.226 318 D C 0.512 176.654 176.300 -0.262 0.000 1.020 318 D CA 0.965 54.512 54.000 -0.755 0.000 0.892 318 D CB -0.090 40.251 40.800 -0.766 0.000 0.900 318 D HN 0.428 nan 8.370 nan 0.000 0.531 319 D N 0.421 120.736 120.400 -0.142 0.000 2.280 319 D HA 0.320 4.960 4.640 0.000 0.000 0.243 319 D C -1.076 175.201 176.300 -0.040 0.000 1.129 319 D CA -0.597 53.369 54.000 -0.058 0.000 0.848 319 D CB 1.089 41.849 40.800 -0.066 0.000 1.107 319 D HN 0.039 nan 8.370 nan 0.000 0.471 320 L N 5.062 126.307 121.223 0.035 0.000 2.410 320 L HA 0.526 4.866 4.340 0.000 0.000 0.270 320 L C -1.783 175.087 176.870 -0.000 0.000 0.983 320 L CA -0.713 54.157 54.840 0.049 0.000 0.822 320 L CB 1.915 44.071 42.059 0.162 0.000 1.285 320 L HN 0.144 nan 8.230 nan 0.000 0.409 321 V N 5.873 125.739 119.914 -0.081 0.000 2.709 321 V HA 0.790 4.911 4.120 0.000 0.000 0.308 321 V C -1.429 174.487 176.094 -0.297 0.000 1.062 321 V CA -0.365 61.819 62.300 -0.193 0.000 0.901 321 V CB 2.405 34.153 31.823 -0.124 0.000 1.003 321 V HN 0.587 nan 8.190 nan 0.000 0.425 322 V N 7.649 127.195 119.914 -0.614 0.000 2.540 322 V HA 0.595 4.715 4.120 0.000 0.000 0.302 322 V C -0.338 175.478 176.094 -0.463 0.000 1.035 322 V CA -0.465 61.455 62.300 -0.634 0.000 0.873 322 V CB 1.736 32.873 31.823 -1.143 0.000 0.992 322 V HN 0.746 nan 8.190 nan 0.000 0.428 323 I N 4.948 125.380 120.570 -0.229 0.000 2.436 323 I HA 0.690 4.860 4.170 0.000 0.000 0.289 323 I C -0.030 176.009 176.117 -0.129 0.000 1.010 323 I CA -0.291 60.936 61.300 -0.122 0.000 1.098 323 I CB 1.672 39.646 38.000 -0.043 0.000 1.266 323 I HN 0.904 nan 8.210 nan 0.000 0.434 324 C N 2.485 121.711 119.300 -0.123 0.000 3.336 324 C HA 0.581 5.041 4.460 0.000 0.000 0.352 324 C C -0.594 174.313 174.990 -0.139 0.000 1.567 324 C CA -0.912 58.044 59.018 -0.103 0.000 1.328 324 C CB 1.790 29.506 27.740 -0.039 0.000 1.922 324 C HN 0.607 nan 8.230 nan 0.000 0.439 325 E N 1.757 121.898 120.200 -0.099 0.000 2.259 325 E HA 0.302 4.652 4.350 0.000 0.000 0.281 325 E C 0.050 176.622 176.600 -0.047 0.000 1.037 325 E CA 0.449 56.793 56.400 -0.094 0.000 0.854 325 E CB 1.702 31.360 29.700 -0.070 0.000 1.051 325 E HN 0.697 nan 8.360 nan 0.000 0.409 326 S N 1.641 117.323 115.700 -0.029 0.000 2.572 326 S HA 0.237 4.708 4.470 0.000 0.000 0.279 326 S C 0.493 175.111 174.600 0.029 0.000 1.341 326 S CA 0.105 58.336 58.200 0.052 0.000 1.043 326 S CB 0.565 63.859 63.200 0.157 0.000 0.887 326 S HN 0.537 nan 8.310 nan 0.000 0.516 327 A N 3.283 126.128 122.820 0.041 0.000 2.535 327 A HA 0.642 4.962 4.320 0.000 0.000 0.273 327 A C 0.902 178.499 177.584 0.021 0.000 1.267 327 A CA 0.253 52.303 52.037 0.021 0.000 0.940 327 A CB -0.958 18.051 19.000 0.015 0.000 1.101 327 A HN 1.883 nan 8.150 nan 0.000 0.521 328 G N -1.056 107.765 108.800 0.035 0.000 2.699 328 G HA2 -0.034 3.926 3.960 0.000 0.000 0.686 328 G HA3 -0.034 3.926 3.960 0.000 0.000 0.686 328 G C 0.652 175.573 174.900 0.034 0.000 1.301 328 G CA 0.210 45.310 45.100 0.001 0.000 0.816 328 G HN 1.180 nan 8.290 nan 0.000 0.595 329 T N -2.015 112.528 114.554 -0.019 0.000 2.788 329 T HA -0.145 4.205 4.350 0.000 0.000 0.268 329 T C 2.089 176.817 174.700 0.047 0.000 1.044 329 T CA 2.197 64.318 62.100 0.035 0.000 1.139 329 T CB -0.172 68.665 68.868 -0.052 0.000 0.867 329 T HN 0.831 nan 8.240 nan 0.000 0.454 330 Q N 0.710 120.519 119.800 0.015 0.000 2.016 330 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 330 Q C 2.459 178.468 176.000 0.016 0.000 0.978 330 Q CA 1.440 57.250 55.803 0.012 0.000 0.833 330 Q CB -0.023 28.716 28.738 0.001 0.000 0.895 330 Q HN 0.560 nan 8.270 nan 0.000 0.427 331 E N 0.621 120.831 120.200 0.017 0.000 2.106 331 E HA -0.170 4.180 4.350 0.000 0.000 0.192 331 E C 1.641 178.251 176.600 0.017 0.000 0.984 331 E CA 1.090 57.498 56.400 0.015 0.000 0.806 331 E CB -0.086 29.622 29.700 0.013 0.000 0.750 331 E HN 0.475 nan 8.360 nan 0.000 0.458 332 D N 0.934 121.358 120.400 0.041 0.000 2.117 332 D HA -0.098 4.542 4.640 0.000 0.000 0.197 332 D C 1.881 178.171 176.300 -0.017 0.000 0.987 332 D CA 1.370 55.390 54.000 0.033 0.000 0.829 332 D CB -0.236 40.637 40.800 0.122 0.000 0.961 332 D HN 0.151 nan 8.370 nan 0.000 0.460 333 A N 0.917 123.741 122.820 0.007 0.000 1.898 333 A HA 0.007 4.327 4.320 0.000 0.000 0.216 333 A C 2.287 179.854 177.584 -0.029 0.000 1.181 333 A CA 2.059 54.086 52.037 -0.017 0.000 0.620 333 A CB -0.639 18.366 19.000 0.008 0.000 0.819 333 A HN 0.231 nan 8.150 nan 0.000 0.442 334 A N -0.720 122.092 122.820 -0.013 0.000 1.873 334 A HA -0.037 4.283 4.320 0.000 0.000 0.215 334 A C 2.442 180.018 177.584 -0.013 0.000 1.186 334 A CA 1.939 53.971 52.037 -0.010 0.000 0.616 334 A CB -0.971 18.028 19.000 -0.002 0.000 0.823 334 A HN 0.422 nan 8.150 nan 0.000 0.442 335 S N 0.047 115.737 115.700 -0.017 0.000 2.359 335 S HA -0.165 4.305 4.470 0.000 0.000 0.223 335 S C 1.842 176.422 174.600 -0.032 0.000 1.039 335 S CA 1.650 59.841 58.200 -0.014 0.000 1.042 335 S CB -0.500 62.688 63.200 -0.019 0.000 0.915 335 S HN 0.493 nan 8.310 nan 0.000 0.439 336 L N 0.806 121.950 121.223 -0.131 0.000 2.131 336 L HA -0.112 4.228 4.340 0.000 0.000 0.210 336 L C 2.657 179.505 176.870 -0.037 0.000 1.092 336 L CA 1.310 56.009 54.840 -0.236 0.000 0.759 336 L CB -0.686 41.124 42.059 -0.414 0.000 0.903 336 L HN 0.311 nan 8.230 nan 0.000 0.435 337 R N -0.392 120.096 120.500 -0.019 0.000 2.073 337 R HA -0.119 4.221 4.340 0.000 0.000 0.234 337 R C 2.281 178.598 176.300 0.028 0.000 1.134 337 R CA 1.211 57.320 56.100 0.015 0.000 0.952 337 R CB -0.416 29.884 30.300 0.001 0.000 0.850 337 R HN 0.194 nan 8.270 nan 0.000 0.433 338 V N 0.860 120.789 119.914 0.024 0.000 2.295 338 V HA -0.261 3.859 4.120 0.000 0.000 0.246 338 V C 1.984 178.087 176.094 0.016 0.000 1.049 338 V CA 1.831 64.139 62.300 0.013 0.000 1.024 338 V CB -0.638 31.196 31.823 0.017 0.000 0.648 338 V HN 0.228 nan 8.190 nan 0.000 0.447 339 F N 1.549 121.449 119.950 -0.084 0.000 2.091 339 F HA -0.277 4.250 4.527 0.000 0.000 0.299 339 F C 2.404 178.137 175.800 -0.112 0.000 1.103 339 F CA 2.435 60.379 58.000 -0.094 0.000 1.228 339 F CB -0.474 38.470 39.000 -0.093 0.000 0.984 339 F HN 0.133 nan 8.300 nan 0.000 0.477 340 T N -0.143 114.490 114.554 0.132 0.000 2.777 340 T HA -0.162 4.188 4.350 0.000 0.000 0.266 340 T C 1.672 176.361 174.700 -0.020 0.000 1.040 340 T CA 1.589 63.772 62.100 0.138 0.000 1.141 340 T CB -0.313 68.711 68.868 0.260 0.000 0.868 340 T HN 0.384 nan 8.240 nan 0.000 0.444 341 E N 1.173 121.340 120.200 -0.054 0.000 2.058 341 E HA -0.097 4.253 4.350 0.000 0.000 0.194 341 E C 2.553 179.022 176.600 -0.219 0.000 0.997 341 E CA 1.095 57.435 56.400 -0.100 0.000 0.801 341 E CB -0.235 29.420 29.700 -0.075 0.000 0.746 341 E HN 0.477 nan 8.360 nan 0.000 0.450 342 A N 1.233 123.862 122.820 -0.319 0.000 1.858 342 A HA -0.199 4.122 4.320 0.000 0.000 0.216 342 A C 2.179 179.297 177.584 -0.775 0.000 1.190 342 A CA 1.373 53.060 52.037 -0.584 0.000 0.617 342 A CB -0.374 18.314 19.000 -0.520 0.000 0.827 342 A HN 0.121 nan 8.150 nan 0.000 0.443 343 M N -0.284 118.978 119.600 -0.562 0.000 2.108 343 M HA -0.136 4.344 4.480 0.000 0.000 0.261 343 M C 2.202 178.420 176.300 -0.137 0.000 1.066 343 M CA 2.121 57.219 55.300 -0.337 0.000 1.107 343 M CB -1.978 30.347 32.600 -0.458 0.000 1.356 343 M HN 0.456 nan 8.290 nan 0.000 0.406 344 T N 0.088 114.571 114.554 -0.119 0.000 2.746 344 T HA -0.122 4.228 4.350 0.000 0.000 0.267 344 T C 1.969 176.614 174.700 -0.091 0.000 1.039 344 T CA 1.155 63.223 62.100 -0.053 0.000 1.142 344 T CB -0.203 68.644 68.868 -0.034 0.000 0.866 344 T HN 0.380 nan 8.240 nan 0.000 0.444 345 R N -0.095 120.284 120.500 -0.202 0.000 2.120 345 R HA -0.058 4.282 4.340 0.000 0.000 0.234 345 R C 1.714 177.973 176.300 -0.068 0.000 1.123 345 R CA 1.096 57.087 56.100 -0.182 0.000 0.975 345 R CB -0.233 29.896 30.300 -0.285 0.000 0.866 345 R HN 0.430 nan 8.270 nan 0.000 0.446 346 Y N -0.043 120.198 120.300 -0.097 0.000 2.529 346 Y HA 0.091 4.642 4.550 0.000 0.000 0.290 346 Y C 0.840 176.684 175.900 -0.094 0.000 1.177 346 Y CA -0.240 57.787 58.100 -0.123 0.000 1.305 346 Y CB -0.129 38.280 38.460 -0.085 0.000 1.047 346 Y HN -0.034 nan 8.280 nan 0.000 0.522 347 S N -0.056 115.686 115.700 0.071 0.000 3.978 347 S HA -0.050 4.420 4.470 0.000 0.000 0.402 347 S C -0.227 174.393 174.600 0.034 0.000 0.927 347 S CA 0.420 58.644 58.200 0.041 0.000 1.197 347 S CB -1.451 61.760 63.200 0.019 0.000 0.855 347 S HN 0.784 nan 8.310 nan 0.000 0.524 348 A N 2.262 125.125 122.820 0.072 0.000 3.422 348 A HA 0.595 4.915 4.320 0.000 0.000 0.271 348 A C -2.391 175.331 177.584 0.231 0.000 1.104 348 A CA -0.608 51.505 52.037 0.127 0.000 0.899 348 A CB 0.960 20.069 19.000 0.180 0.000 1.309 348 A HN 0.451 nan 8.150 nan 0.000 0.580 349 P HA 0.350 nan 4.420 nan 0.000 0.274 349 P C -2.859 174.501 177.300 0.101 0.000 1.237 349 P CA -1.053 62.118 63.100 0.118 0.000 0.793 349 P CB 0.628 32.324 31.700 -0.007 0.000 0.977 350 P HA 0.140 nan 4.420 nan 0.000 0.278 350 P C 0.616 177.844 177.300 -0.120 0.000 1.258 350 P CA -0.054 62.916 63.100 -0.216 0.000 0.811 350 P CB 0.834 32.355 31.700 -0.298 0.000 1.063 351 G N 0.663 109.386 108.800 -0.127 0.000 2.670 351 G HA2 0.023 3.984 3.960 0.000 0.000 0.219 351 G HA3 0.023 3.984 3.960 0.000 0.000 0.219 351 G C -0.232 174.627 174.900 -0.068 0.000 1.342 351 G CA 0.056 45.116 45.100 -0.067 0.000 0.902 351 G HN 0.494 nan 8.290 nan 0.000 0.553 352 D N 2.680 123.039 120.400 -0.068 0.000 2.308 352 D HA 0.296 4.936 4.640 0.000 0.000 0.251 352 D C -2.229 174.025 176.300 -0.076 0.000 1.127 352 D CA -1.139 52.829 54.000 -0.053 0.000 0.876 352 D CB 1.259 42.039 40.800 -0.034 0.000 1.176 352 D HN 0.105 nan 8.370 nan 0.000 0.446 353 P HA 0.107 nan 4.420 nan 0.000 0.268 353 P C -2.420 174.872 177.300 -0.014 0.000 1.205 353 P CA -0.955 62.128 63.100 -0.028 0.000 0.771 353 P CB -0.230 31.466 31.700 -0.007 0.000 0.858 354 P HA 0.152 nan 4.420 nan 0.000 0.275 354 P C -0.615 176.678 177.300 -0.012 0.000 1.228 354 P CA 0.077 63.206 63.100 0.049 0.000 0.786 354 P CB 0.704 32.489 31.700 0.141 0.000 0.927 355 Q N 1.712 121.520 119.800 0.013 0.000 2.353 355 Q HA 0.446 4.786 4.340 0.000 0.000 0.268 355 Q C -2.456 173.542 176.000 -0.004 0.000 1.045 355 Q CA -2.252 53.549 55.803 -0.003 0.000 0.811 355 Q CB 1.273 30.026 28.738 0.024 0.000 1.305 355 Q HN 0.325 nan 8.270 nan 0.000 0.447 356 P HA 0.099 nan 4.420 nan 0.000 0.271 356 P C -0.517 176.684 177.300 -0.164 0.000 1.216 356 P CA 0.141 63.173 63.100 -0.113 0.000 0.771 356 P CB 0.786 32.426 31.700 -0.100 0.000 0.864 357 E N 2.039 122.088 120.200 -0.252 0.000 2.222 357 E HA 0.208 4.558 4.350 0.000 0.000 0.267 357 E C -0.411 176.010 176.600 -0.298 0.000 0.884 357 E CA -0.409 55.890 56.400 -0.170 0.000 0.764 357 E CB 1.422 31.109 29.700 -0.022 0.000 1.169 357 E HN 0.447 nan 8.360 nan 0.000 0.413 358 Y N -0.215 120.222 120.300 0.229 0.000 2.467 358 Y HA 0.135 4.685 4.550 0.000 0.000 0.250 358 Y C 0.449 176.595 175.900 0.410 0.000 1.155 358 Y CA -0.353 57.933 58.100 0.310 0.000 1.249 358 Y CB 0.905 39.459 38.460 0.157 0.000 1.146 358 Y HN 0.293 nan 8.280 nan 0.000 0.524 359 D N 0.137 120.699 120.400 0.270 0.000 2.481 359 D HA 0.130 4.770 4.640 0.000 0.000 0.246 359 D C 0.734 176.810 176.300 -0.373 0.000 1.109 359 D CA -0.404 53.617 54.000 0.035 0.000 0.845 359 D CB 1.544 42.365 40.800 0.035 0.000 1.160 359 D HN 0.023 nan 8.370 nan 0.000 0.534 360 L N 4.026 124.663 121.223 -0.977 0.000 2.081 360 L HA -0.125 4.216 4.340 0.000 0.000 0.212 360 L C 1.449 177.980 176.870 -0.565 0.000 1.080 360 L CA 1.980 56.072 54.840 -1.246 0.000 0.754 360 L CB -0.361 40.751 42.059 -1.578 0.000 0.893 360 L HN 0.579 nan 8.230 nan 0.000 0.433 361 E N -0.997 118.983 120.200 -0.367 0.000 2.478 361 E HA -0.102 4.248 4.350 0.000 0.000 0.198 361 E C 1.885 178.397 176.600 -0.148 0.000 1.046 361 E CA 0.468 56.739 56.400 -0.215 0.000 0.870 361 E CB -0.095 29.520 29.700 -0.141 0.000 0.818 361 E HN 0.546 nan 8.360 nan 0.000 0.527 362 L N 0.584 121.720 121.223 -0.146 0.000 2.585 362 L HA 0.195 4.535 4.340 0.000 0.000 0.226 362 L C 0.669 177.492 176.870 -0.079 0.000 1.113 362 L CA -0.099 54.693 54.840 -0.080 0.000 0.876 362 L CB 0.271 42.308 42.059 -0.036 0.000 1.072 362 L HN 0.043 nan 8.230 nan 0.000 0.468 363 I N 0.264 120.756 120.570 -0.130 0.000 2.352 363 I HA 0.084 4.254 4.170 0.000 0.000 0.290 363 I C 0.086 176.156 176.117 -0.078 0.000 1.036 363 I CA 0.156 61.395 61.300 -0.101 0.000 1.336 363 I CB 1.228 39.142 38.000 -0.144 0.000 1.407 363 I HN -0.087 nan 8.210 nan 0.000 0.497 364 T N 5.291 119.822 114.554 -0.037 0.000 2.744 364 T HA 0.441 4.791 4.350 0.000 0.000 0.291 364 T C -0.141 174.554 174.700 -0.008 0.000 0.957 364 T CA -0.542 61.549 62.100 -0.016 0.000 1.002 364 T CB 0.813 69.682 68.868 0.001 0.000 0.919 364 T HN 0.743 nan 8.240 nan 0.000 0.468 365 S N 1.071 116.768 115.700 -0.004 0.000 2.536 365 S HA 0.390 4.861 4.470 0.000 0.000 0.271 365 S C 0.074 174.683 174.600 0.016 0.000 1.134 365 S CA -0.799 57.398 58.200 -0.005 0.000 0.897 365 S CB 0.670 63.848 63.200 -0.036 0.000 1.094 365 S HN 0.869 nan 8.310 nan 0.000 0.473 366 C N 2.374 121.684 119.300 0.016 0.000 4.114 366 C HA -0.166 4.295 4.460 0.000 0.000 0.300 366 C C 1.399 176.461 174.990 0.120 0.000 1.423 366 C CA 0.898 59.946 59.018 0.051 0.000 2.034 366 C CB -3.222 24.533 27.740 0.025 0.000 1.299 366 C HN 1.756 nan 8.230 nan 0.000 0.727 367 S N -1.714 114.048 115.700 0.104 0.000 3.380 367 S HA -0.199 4.271 4.470 0.000 0.000 0.300 367 S C 0.241 174.930 174.600 0.149 0.000 1.255 367 S CA 1.299 59.572 58.200 0.122 0.000 0.963 367 S CB -0.892 62.402 63.200 0.157 0.000 1.106 367 S HN 1.035 nan 8.310 nan 0.000 0.629 368 S N 1.903 117.687 115.700 0.141 0.000 2.570 368 S HA 0.702 5.172 4.470 0.000 0.000 0.286 368 S C -0.408 174.231 174.600 0.065 0.000 1.099 368 S CA -0.996 57.308 58.200 0.173 0.000 0.913 368 S CB 1.705 65.064 63.200 0.266 0.000 1.085 368 S HN 0.562 nan 8.310 nan 0.000 0.480 369 N N -0.159 118.563 118.700 0.038 0.000 2.240 369 N HA 0.440 5.181 4.740 0.000 0.000 0.302 369 N C -1.145 174.307 175.510 -0.097 0.000 1.106 369 N CA -0.594 52.428 53.050 -0.046 0.000 0.778 369 N CB 1.252 39.704 38.487 -0.059 0.000 1.431 369 N HN 0.308 nan 8.380 nan 0.000 0.479 370 V N 0.817 120.638 119.914 -0.154 0.000 2.740 370 V HA 0.254 4.374 4.120 0.000 0.000 0.303 370 V C 0.601 176.553 176.094 -0.237 0.000 1.054 370 V CA 0.242 62.423 62.300 -0.197 0.000 1.106 370 V CB 0.826 32.520 31.823 -0.215 0.000 0.957 370 V HN 0.865 nan 8.190 nan 0.000 0.486 371 S N 2.812 118.280 115.700 -0.387 0.000 2.671 371 S HA 0.742 5.212 4.470 0.000 0.000 0.277 371 S C -1.329 173.078 174.600 -0.322 0.000 1.165 371 S CA -0.470 57.508 58.200 -0.371 0.000 0.822 371 S CB 2.063 65.007 63.200 -0.426 0.000 1.150 371 S HN 0.622 nan 8.310 nan 0.000 0.479 372 V N 1.537 121.368 119.914 -0.138 0.000 2.680 372 V HA 0.976 5.096 4.120 0.000 0.000 0.309 372 V C -0.093 175.933 176.094 -0.114 0.000 1.052 372 V CA 0.264 62.442 62.300 -0.203 0.000 0.908 372 V CB 1.130 32.691 31.823 -0.436 0.000 1.001 372 V HN 1.239 nan 8.190 nan 0.000 0.431 373 A N 4.990 127.622 122.820 -0.313 0.000 2.525 373 A HA 0.877 5.197 4.320 0.000 0.000 0.291 373 A C -1.238 175.821 177.584 -0.875 0.000 1.268 373 A CA -0.605 51.083 52.037 -0.582 0.000 0.712 373 A CB 1.747 20.262 19.000 -0.809 0.000 1.320 373 A HN 0.905 nan 8.150 nan 0.000 0.456 374 H N 0.347 119.060 119.070 -0.594 0.000 2.637 374 H HA 0.379 4.935 4.556 0.000 0.000 0.363 374 H C -0.983 173.959 175.328 -0.643 0.000 1.131 374 H CA -0.384 55.319 56.048 -0.574 0.000 1.183 374 H CB 1.874 31.298 29.762 -0.564 0.000 1.637 374 H HN 0.913 nan 8.280 nan 0.000 0.531 375 D N 1.127 121.408 120.400 -0.197 0.000 2.453 375 D HA 0.163 4.803 4.640 0.000 0.000 0.282 375 D C 1.392 177.782 176.300 0.150 0.000 1.222 375 D CA -0.317 53.650 54.000 -0.055 0.000 1.079 375 D CB 0.066 40.849 40.800 -0.029 0.000 1.128 375 D HN 0.419 nan 8.370 nan 0.000 0.568 376 A N -0.680 122.225 122.820 0.141 0.000 1.972 376 A HA -0.080 4.240 4.320 0.000 0.000 0.219 376 A C 2.071 179.730 177.584 0.125 0.000 1.169 376 A CA 1.617 53.743 52.037 0.148 0.000 0.635 376 A CB -0.808 18.247 19.000 0.092 0.000 0.810 376 A HN 0.435 nan 8.150 nan 0.000 0.446 377 S N -1.633 114.125 115.700 0.097 0.000 2.593 377 S HA 0.351 4.821 4.470 0.000 0.000 0.217 377 S C 1.447 176.094 174.600 0.079 0.000 0.966 377 S CA 0.763 59.005 58.200 0.070 0.000 0.914 377 S CB 0.096 63.325 63.200 0.048 0.000 0.776 377 S HN 1.587 nan 8.310 nan 0.000 0.523 378 G N 1.903 110.779 108.800 0.126 0.000 2.179 378 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 378 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 378 G C 0.078 175.044 174.900 0.110 0.000 0.977 378 G CA 0.281 45.444 45.100 0.105 0.000 0.641 378 G HN 0.497 nan 8.290 nan 0.000 0.533 379 K N 0.683 121.129 120.400 0.076 0.000 2.326 379 K HA 0.411 4.731 4.320 0.000 0.000 0.275 379 K C 0.880 177.478 176.600 -0.004 0.000 1.018 379 K CA -0.615 55.699 56.287 0.045 0.000 0.962 379 K CB 0.287 32.797 32.500 0.016 0.000 0.953 379 K HN 0.295 nan 8.250 nan 0.000 0.475 380 R N 1.811 122.275 120.500 -0.059 0.000 2.491 380 R HA 0.163 4.504 4.340 0.000 0.000 0.283 380 R C -0.857 175.245 176.300 -0.330 0.000 1.072 380 R CA -0.280 55.637 56.100 -0.307 0.000 1.048 380 R CB 0.782 30.904 30.300 -0.297 0.000 0.983 380 R HN 0.268 nan 8.270 nan 0.000 0.450 381 V N 4.532 124.171 119.914 -0.458 0.000 2.577 381 V HA 0.254 4.375 4.120 0.000 0.000 0.303 381 V C -1.006 174.899 176.094 -0.316 0.000 1.042 381 V CA -1.004 61.124 62.300 -0.287 0.000 0.872 381 V CB 1.311 33.022 31.823 -0.187 0.000 0.998 381 V HN 0.591 nan 8.190 nan 0.000 0.423 382 Y N 4.913 125.200 120.300 -0.020 0.000 2.299 382 Y HA 0.679 5.229 4.550 0.000 0.000 0.326 382 Y C 0.026 175.985 175.900 0.099 0.000 1.164 382 Y CA -0.193 57.900 58.100 -0.011 0.000 1.234 382 Y CB 1.229 39.644 38.460 -0.075 0.000 1.219 382 Y HN 0.757 nan 8.280 nan 0.000 0.497 383 Y N -0.608 119.745 120.300 0.088 0.000 2.638 383 Y HA 0.714 5.264 4.550 0.000 0.000 0.335 383 Y C -2.230 173.724 175.900 0.090 0.000 1.155 383 Y CA -2.042 56.095 58.100 0.063 0.000 1.046 383 Y CB 0.780 39.249 38.460 0.016 0.000 1.303 383 Y HN 0.417 nan 8.280 nan 0.000 0.460 384 L N 2.663 123.956 121.223 0.117 0.000 2.289 384 L HA 0.705 5.045 4.340 0.000 0.000 0.285 384 L C 0.184 177.263 176.870 0.349 0.000 1.049 384 L CA -0.379 54.524 54.840 0.105 0.000 0.804 384 L CB 1.776 43.913 42.059 0.131 0.000 1.195 384 L HN 0.977 nan 8.230 nan 0.000 0.428 385 T N 2.827 117.532 114.554 0.252 0.000 2.716 385 T HA 0.815 5.165 4.350 0.000 0.000 0.286 385 T C -1.153 173.683 174.700 0.228 0.000 1.052 385 T CA -0.638 61.685 62.100 0.373 0.000 1.024 385 T CB 1.698 70.768 68.868 0.336 0.000 1.349 385 T HN 0.793 nan 8.240 nan 0.000 0.525 386 R N 0.443 121.011 120.500 0.113 0.000 2.733 386 R HA 0.473 4.814 4.340 0.000 0.000 0.272 386 R C -1.502 174.648 176.300 -0.250 0.000 1.029 386 R CA -0.996 55.055 56.100 -0.082 0.000 0.888 386 R CB 0.378 30.583 30.300 -0.159 0.000 1.251 386 R HN 0.499 nan 8.270 nan 0.000 0.464 387 D N 1.959 122.213 120.400 -0.243 0.000 2.434 387 D HA 0.045 4.685 4.640 0.000 0.000 0.252 387 D C -1.366 174.595 176.300 -0.564 0.000 1.185 387 D CA -1.249 52.561 54.000 -0.317 0.000 0.886 387 D CB 1.219 41.910 40.800 -0.182 0.000 1.148 387 D HN 0.328 nan 8.370 nan 0.000 0.483 388 P HA 0.005 nan 4.420 nan 0.000 0.249 388 P C 1.074 178.044 177.300 -0.550 0.000 1.241 388 P CA 0.118 62.541 63.100 -1.128 0.000 0.781 388 P CB 0.279 31.149 31.700 -1.384 0.000 1.088 389 T N -0.163 114.193 114.554 -0.330 0.000 2.622 389 T HA -0.132 4.218 4.350 0.000 0.000 0.266 389 T C 1.748 176.385 174.700 -0.106 0.000 1.047 389 T CA 2.379 64.383 62.100 -0.160 0.000 1.159 389 T CB -1.103 67.717 68.868 -0.080 0.000 0.863 389 T HN 0.208 nan 8.240 nan 0.000 0.422 390 T N 2.271 116.769 114.554 -0.092 0.000 2.708 390 T HA -0.052 4.298 4.350 0.000 0.000 0.266 390 T C -0.530 174.130 174.700 -0.066 0.000 1.037 390 T CA 1.179 63.256 62.100 -0.039 0.000 1.146 390 T CB -1.334 67.555 68.868 0.034 0.000 0.865 390 T HN 0.328 nan 8.240 nan 0.000 0.435 391 P HA -0.054 nan 4.420 nan 0.000 0.216 391 P C 1.456 178.779 177.300 0.038 0.000 1.154 391 P CA 1.054 64.139 63.100 -0.025 0.000 0.865 391 P CB -0.202 31.419 31.700 -0.131 0.000 0.789 392 L N -1.853 119.349 121.223 -0.035 0.000 2.179 392 L HA -0.037 4.303 4.340 0.000 0.000 0.208 392 L C 2.453 179.360 176.870 0.060 0.000 1.096 392 L CA 1.105 55.956 54.840 0.018 0.000 0.779 392 L CB -1.038 40.991 42.059 -0.051 0.000 0.922 392 L HN -0.059 nan 8.230 nan 0.000 0.443 393 A N 0.481 123.325 122.820 0.040 0.000 1.902 393 A HA -0.205 4.115 4.320 0.000 0.000 0.217 393 A C 2.394 180.046 177.584 0.113 0.000 1.181 393 A CA 1.488 53.569 52.037 0.073 0.000 0.623 393 A CB -0.412 18.607 19.000 0.032 0.000 0.818 393 A HN 0.294 nan 8.150 nan 0.000 0.443 394 R N -0.652 119.889 120.500 0.069 0.000 2.075 394 R HA -0.016 4.325 4.340 0.000 0.000 0.232 394 R C 2.494 178.947 176.300 0.256 0.000 1.126 394 R CA 1.109 57.268 56.100 0.098 0.000 0.963 394 R CB -0.442 29.861 30.300 0.004 0.000 0.858 394 R HN 0.507 nan 8.270 nan 0.000 0.435 395 A N 1.258 124.256 122.820 0.297 0.000 1.908 395 A HA -0.160 4.160 4.320 0.000 0.000 0.218 395 A C 2.359 180.187 177.584 0.406 0.000 1.181 395 A CA 1.779 54.108 52.037 0.488 0.000 0.627 395 A CB -0.698 18.622 19.000 0.533 0.000 0.818 395 A HN 0.409 nan 8.150 nan 0.000 0.445 396 A N -1.363 121.601 122.820 0.240 0.000 1.883 396 A HA -0.209 4.112 4.320 0.000 0.000 0.217 396 A C 2.111 179.808 177.584 0.188 0.000 1.186 396 A CA 1.456 53.590 52.037 0.161 0.000 0.624 396 A CB -0.905 18.168 19.000 0.122 0.000 0.822 396 A HN 0.835 nan 8.150 nan 0.000 0.444 397 W N 1.003 122.344 121.300 0.069 0.000 2.358 397 W HA -0.141 4.519 4.660 0.000 0.000 0.303 397 W C 1.602 178.167 176.519 0.076 0.000 1.208 397 W CA 1.920 59.292 57.345 0.045 0.000 1.274 397 W CB -0.244 29.226 29.460 0.016 0.000 1.138 397 W HN 0.562 nan 8.180 nan 0.000 0.515 398 E N -0.973 119.481 120.200 0.423 0.000 2.427 398 E HA -0.101 4.249 4.350 0.000 0.000 0.196 398 E C 1.888 178.659 176.600 0.285 0.000 1.028 398 E CA 1.194 57.822 56.400 0.380 0.000 0.864 398 E CB -0.102 29.882 29.700 0.472 0.000 0.813 398 E HN 0.063 nan 8.360 nan 0.000 0.514 399 T N 0.279 114.972 114.554 0.232 0.000 2.951 399 T HA -0.049 4.301 4.350 0.000 0.000 0.268 399 T C 1.736 176.406 174.700 -0.050 0.000 1.073 399 T CA 1.181 63.330 62.100 0.082 0.000 1.134 399 T CB 0.113 69.045 68.868 0.107 0.000 0.884 399 T HN 0.220 nan 8.240 nan 0.000 0.479 400 A N 0.130 122.892 122.820 -0.096 0.000 2.259 400 A HA 0.350 4.670 4.320 0.000 0.000 0.213 400 A C 0.905 178.366 177.584 -0.205 0.000 1.209 400 A CA -0.081 51.848 52.037 -0.181 0.000 0.910 400 A CB 0.547 19.396 19.000 -0.252 0.000 0.946 400 A HN 0.084 nan 8.150 nan 0.000 0.497 401 R N 0.398 120.804 120.500 -0.157 0.000 2.621 401 R HA 0.395 4.735 4.340 0.000 0.000 0.292 401 R C -1.623 174.672 176.300 -0.010 0.000 0.969 401 R CA -0.528 55.528 56.100 -0.075 0.000 0.887 401 R CB 0.814 31.130 30.300 0.026 0.000 1.180 401 R HN 0.482 nan 8.270 nan 0.000 0.450 402 H N 0.621 119.764 119.070 0.121 0.000 2.722 402 H HA 0.184 4.741 4.556 0.000 0.000 0.328 402 H C 0.528 175.932 175.328 0.127 0.000 1.067 402 H CA 0.616 56.739 56.048 0.126 0.000 1.447 402 H CB 0.865 30.678 29.762 0.085 0.000 1.469 402 H HN 0.535 nan 8.280 nan 0.000 0.544 403 T N 0.422 115.116 114.554 0.233 0.000 2.908 403 T HA 0.231 4.581 4.350 0.000 0.000 0.290 403 T C -1.707 173.013 174.700 0.033 0.000 1.034 403 T CA -2.075 60.102 62.100 0.128 0.000 1.010 403 T CB 1.826 70.761 68.868 0.113 0.000 1.068 403 T HN 0.315 nan 8.240 nan 0.000 0.481 404 P HA 0.086 nan 4.420 nan 0.000 0.220 404 P C 0.038 177.189 177.300 -0.248 0.000 1.148 404 P CA 0.379 63.356 63.100 -0.205 0.000 0.803 404 P CB 0.024 31.550 31.700 -0.291 0.000 0.782 405 V N 1.685 121.505 119.914 -0.157 0.000 2.448 405 V HA 0.234 4.354 4.120 0.000 0.000 0.295 405 V C -0.008 176.020 176.094 -0.110 0.000 1.025 405 V CA -0.831 61.385 62.300 -0.140 0.000 0.859 405 V CB 1.666 33.422 31.823 -0.113 0.000 0.988 405 V HN -0.004 nan 8.190 nan 0.000 0.431 406 N N 3.128 121.718 118.700 -0.184 0.000 2.602 406 N HA 0.062 4.802 4.740 0.000 0.000 0.238 406 N C 1.413 176.701 175.510 -0.370 0.000 1.084 406 N CA 0.207 53.081 53.050 -0.292 0.000 0.952 406 N CB 1.595 39.737 38.487 -0.574 0.000 1.244 406 N HN 0.844 nan 8.380 nan 0.000 0.512 407 S N 2.263 117.876 115.700 -0.145 0.000 2.383 407 S HA -0.156 4.314 4.470 0.000 0.000 0.229 407 S C 1.874 176.437 174.600 -0.062 0.000 1.030 407 S CA 0.488 58.645 58.200 -0.072 0.000 1.002 407 S CB -0.505 62.704 63.200 0.015 0.000 0.829 407 S HN 0.799 nan 8.310 nan 0.000 0.467 408 W N 1.429 122.650 121.300 -0.131 0.000 2.338 408 W HA -0.088 4.572 4.660 0.000 0.000 0.304 408 W C 1.780 178.213 176.519 -0.144 0.000 1.212 408 W CA 0.682 57.904 57.345 -0.205 0.000 1.264 408 W CB -1.112 27.878 29.460 -0.782 0.000 1.142 408 W HN 0.377 nan 8.180 nan 0.000 0.512 409 L N 2.849 123.430 121.223 -1.070 0.000 2.072 409 L HA 0.161 4.502 4.340 0.000 0.000 0.205 409 L C 2.706 179.371 176.870 -0.341 0.000 1.079 409 L CA 2.742 57.023 54.840 -0.932 0.000 0.752 409 L CB -1.398 39.876 42.059 -1.308 0.000 0.906 409 L HN 0.061 nan 8.230 nan 0.000 0.436 410 G N -0.615 108.020 108.800 -0.276 0.000 2.442 410 G HA2 -0.304 3.657 3.960 0.000 0.000 0.219 410 G HA3 -0.304 3.657 3.960 0.000 0.000 0.219 410 G C 1.480 176.392 174.900 0.019 0.000 1.141 410 G CA 0.805 45.835 45.100 -0.117 0.000 0.763 410 G HN 0.438 nan 8.290 nan 0.000 0.554 411 N N 0.480 119.249 118.700 0.115 0.000 2.216 411 N HA 0.009 4.749 4.740 0.000 0.000 0.183 411 N C 2.263 177.928 175.510 0.258 0.000 1.017 411 N CA 0.565 53.811 53.050 0.327 0.000 0.861 411 N CB -0.136 38.615 38.487 0.440 0.000 0.986 411 N HN 0.330 nan 8.380 nan 0.000 0.428 412 I N 0.962 121.638 120.570 0.177 0.000 2.226 412 I HA -0.217 3.953 4.170 0.000 0.000 0.245 412 I C 2.020 178.189 176.117 0.088 0.000 1.100 412 I CA 0.858 62.241 61.300 0.138 0.000 1.374 412 I CB -0.111 38.034 38.000 0.242 0.000 1.057 412 I HN 0.047 nan 8.210 nan 0.000 0.413 413 I N -0.098 120.525 120.570 0.089 0.000 2.202 413 I HA -0.284 3.886 4.170 0.000 0.000 0.242 413 I C 2.376 178.601 176.117 0.182 0.000 1.091 413 I CA 1.245 62.624 61.300 0.132 0.000 1.368 413 I CB -0.175 37.887 38.000 0.104 0.000 1.058 413 I HN 0.217 nan 8.210 nan 0.000 0.410 414 M N -0.981 118.647 119.600 0.047 0.000 2.447 414 M HA -0.051 4.429 4.480 0.000 0.000 0.264 414 M C 0.891 177.040 176.300 -0.252 0.000 1.095 414 M CA 1.443 56.683 55.300 -0.101 0.000 1.125 414 M CB -0.517 31.912 32.600 -0.284 0.000 1.389 414 M HN 0.191 nan 8.290 nan 0.000 0.459 415 Y N -0.575 119.726 120.300 0.001 0.000 2.720 415 Y HA 0.477 5.027 4.550 0.000 0.000 0.268 415 Y C 1.853 177.491 175.900 -0.437 0.000 1.142 415 Y CA -0.342 57.642 58.100 -0.192 0.000 1.193 415 Y CB -0.826 37.469 38.460 -0.274 0.000 1.176 415 Y HN 0.152 nan 8.280 nan 0.000 0.542 416 A N 1.132 123.730 122.820 -0.370 0.000 1.927 416 A HA -0.196 4.124 4.320 0.000 0.000 0.220 416 A C -0.381 176.904 177.584 -0.498 0.000 1.185 416 A CA 1.893 53.664 52.037 -0.443 0.000 0.639 416 A CB -1.464 17.228 19.000 -0.513 0.000 0.820 416 A HN 0.277 nan 8.150 nan 0.000 0.451 417 P HA 0.032 nan 4.420 nan 0.000 0.237 417 P C 0.542 177.530 177.300 -0.520 0.000 1.178 417 P CA 1.159 63.960 63.100 -0.499 0.000 0.766 417 P CB -0.438 30.989 31.700 -0.456 0.000 0.876 418 T N -2.640 111.606 114.554 -0.513 0.000 2.899 418 T HA 0.140 4.491 4.350 0.000 0.000 0.295 418 T C 1.092 175.349 174.700 -0.739 0.000 1.033 418 T CA -0.663 61.075 62.100 -0.603 0.000 1.084 418 T CB 0.720 69.033 68.868 -0.924 0.000 0.979 418 T HN -0.167 nan 8.240 nan 0.000 0.532 419 L N 1.819 122.532 121.223 -0.850 0.000 2.046 419 L HA 0.048 4.388 4.340 0.000 0.000 0.208 419 L C 2.328 178.874 176.870 -0.540 0.000 1.077 419 L CA 1.527 55.853 54.840 -0.856 0.000 0.747 419 L CB -0.827 40.627 42.059 -1.007 0.000 0.896 419 L HN 0.911 nan 8.230 nan 0.000 0.432 420 W N -1.033 120.052 121.300 -0.358 0.000 2.476 420 W HA 0.156 4.816 4.660 0.000 0.000 0.281 420 W C 1.963 178.334 176.519 -0.247 0.000 1.230 420 W CA 0.649 57.815 57.345 -0.299 0.000 1.287 420 W CB -1.244 28.076 29.460 -0.234 0.000 1.108 420 W HN 0.295 nan 8.180 nan 0.000 0.567 421 A N 1.887 124.277 122.820 -0.716 0.000 1.897 421 A HA -0.087 4.233 4.320 0.000 0.000 0.215 421 A C 2.252 179.686 177.584 -0.250 0.000 1.181 421 A CA 1.474 53.242 52.037 -0.449 0.000 0.620 421 A CB -0.722 17.864 19.000 -0.690 0.000 0.821 421 A HN 0.253 nan 8.150 nan 0.000 0.443 422 R N -0.948 119.315 120.500 -0.396 0.000 2.062 422 R HA 0.003 4.343 4.340 0.000 0.000 0.231 422 R C 2.279 178.359 176.300 -0.367 0.000 1.136 422 R CA 1.804 57.675 56.100 -0.382 0.000 0.948 422 R CB -0.363 29.570 30.300 -0.612 0.000 0.845 422 R HN 0.493 nan 8.270 nan 0.000 0.430 423 M N -0.306 118.952 119.600 -0.569 0.000 2.200 423 M HA -0.045 4.435 4.480 0.000 0.000 0.265 423 M C 1.929 178.143 176.300 -0.143 0.000 1.066 423 M CA 1.506 56.520 55.300 -0.477 0.000 1.127 423 M CB 0.106 32.397 32.600 -0.515 0.000 1.379 423 M HN 0.150 nan 8.290 nan 0.000 0.420 424 I N -0.918 119.436 120.570 -0.360 0.000 3.196 424 I HA -0.096 4.074 4.170 0.000 0.000 0.248 424 I C 2.054 178.018 176.117 -0.255 0.000 1.105 424 I CA 0.301 61.131 61.300 -0.783 0.000 1.482 424 I CB -0.234 37.215 38.000 -0.919 0.000 1.400 424 I HN 0.120 nan 8.210 nan 0.000 0.464 425 L N 0.391 121.634 121.223 0.033 0.000 2.017 425 L HA -0.211 4.129 4.340 0.000 0.000 0.208 425 L C 2.689 179.855 176.870 0.494 0.000 1.073 425 L CA 1.635 56.684 54.840 0.348 0.000 0.745 425 L CB -0.426 41.878 42.059 0.408 0.000 0.894 425 L HN 0.297 nan 8.230 nan 0.000 0.432 426 M N -0.980 118.873 119.600 0.421 0.000 2.086 426 M HA -0.180 4.300 4.480 0.000 0.000 0.261 426 M C 2.306 179.117 176.300 0.851 0.000 1.067 426 M CA 1.982 57.637 55.300 0.592 0.000 1.116 426 M CB -0.627 32.120 32.600 0.245 0.000 1.348 426 M HN 0.248 nan 8.290 nan 0.000 0.407 427 T N -1.397 113.628 114.554 0.785 0.000 2.737 427 T HA -0.202 4.148 4.350 0.000 0.000 0.265 427 T C 1.656 176.686 174.700 0.550 0.000 1.038 427 T CA 1.777 64.332 62.100 0.759 0.000 1.144 427 T CB -0.457 68.908 68.868 0.829 0.000 0.866 427 T HN 0.457 nan 8.240 nan 0.000 0.434 428 H N 0.233 119.518 119.070 0.359 0.000 2.299 428 H HA 0.060 4.616 4.556 0.000 0.000 0.302 428 H C 1.723 176.957 175.328 -0.157 0.000 1.078 428 H CA 1.449 57.564 56.048 0.112 0.000 1.323 428 H CB -0.439 29.278 29.762 -0.075 0.000 1.381 428 H HN 0.326 nan 8.280 nan 0.000 0.498 429 F N -1.107 118.806 119.950 -0.061 0.000 2.293 429 F HA 0.016 4.543 4.527 0.000 0.000 0.297 429 F C 1.910 177.522 175.800 -0.312 0.000 1.089 429 F CA 0.498 58.205 58.000 -0.488 0.000 1.377 429 F CB -0.471 37.837 39.000 -1.152 0.000 1.051 429 F HN 0.140 nan 8.300 nan 0.000 0.511 430 F N -0.487 119.566 119.950 0.171 0.000 2.186 430 F HA -0.200 4.327 4.527 0.000 0.000 0.299 430 F C 2.769 178.606 175.800 0.062 0.000 1.090 430 F CA 1.559 59.673 58.000 0.191 0.000 1.307 430 F CB -0.905 38.312 39.000 0.362 0.000 1.019 430 F HN -0.095 nan 8.300 nan 0.000 0.489 431 S N 0.356 116.149 115.700 0.155 0.000 2.383 431 S HA -0.182 4.288 4.470 0.000 0.000 0.229 431 S C 2.088 176.653 174.600 -0.058 0.000 1.030 431 S CA 1.443 59.655 58.200 0.021 0.000 1.002 431 S CB -0.475 62.717 63.200 -0.013 0.000 0.829 431 S HN 0.353 nan 8.310 nan 0.000 0.467 432 I N 0.994 121.468 120.570 -0.159 0.000 2.252 432 I HA -0.126 4.044 4.170 0.000 0.000 0.245 432 I C 2.206 178.283 176.117 -0.065 0.000 1.102 432 I CA 0.928 62.125 61.300 -0.172 0.000 1.385 432 I CB -0.318 37.499 38.000 -0.305 0.000 1.064 432 I HN 0.303 nan 8.210 nan 0.000 0.414 433 L N 0.166 121.360 121.223 -0.047 0.000 2.056 433 L HA -0.207 4.133 4.340 0.000 0.000 0.207 433 L C 2.557 179.450 176.870 0.039 0.000 1.078 433 L CA 1.264 56.104 54.840 -0.000 0.000 0.749 433 L CB -0.491 41.537 42.059 -0.051 0.000 0.901 433 L HN 0.265 nan 8.230 nan 0.000 0.433 434 L N -0.196 121.062 121.223 0.059 0.000 1.989 434 L HA -0.225 4.115 4.340 0.000 0.000 0.211 434 L C 2.881 179.767 176.870 0.027 0.000 1.071 434 L CA 1.423 56.299 54.840 0.061 0.000 0.749 434 L CB -0.686 41.412 42.059 0.065 0.000 0.890 434 L HN 0.239 nan 8.230 nan 0.000 0.431 435 A N -1.138 121.686 122.820 0.005 0.000 1.978 435 A HA -0.201 4.120 4.320 0.000 0.000 0.220 435 A C 2.091 179.678 177.584 0.005 0.000 1.170 435 A CA 1.371 53.405 52.037 -0.005 0.000 0.636 435 A CB -0.268 18.717 19.000 -0.026 0.000 0.810 435 A HN 0.429 nan 8.150 nan 0.000 0.448 436 Q N -0.600 119.208 119.800 0.014 0.000 2.360 436 Q HA 0.070 4.410 4.340 0.000 0.000 0.202 436 Q C -0.493 175.527 176.000 0.033 0.000 0.915 436 Q CA 0.311 56.130 55.803 0.027 0.000 0.943 436 Q CB 0.006 28.769 28.738 0.042 0.000 1.064 436 Q HN 0.776 nan 8.270 nan 0.000 0.511 437 E N 0.645 120.865 120.200 0.034 0.000 2.228 437 E HA -0.256 4.094 4.350 0.000 0.000 0.213 437 E C -0.253 176.376 176.600 0.048 0.000 1.282 437 E CA 0.279 56.704 56.400 0.041 0.000 0.707 437 E CB -1.154 28.566 29.700 0.033 0.000 1.150 437 E HN 0.452 nan 8.360 nan 0.000 0.362 438 Q N -0.358 119.475 119.800 0.055 0.000 2.157 438 Q HA 0.212 4.552 4.340 0.000 0.000 0.229 438 Q C 1.682 177.724 176.000 0.069 0.000 0.827 438 Q CA -0.268 55.572 55.803 0.061 0.000 1.055 438 Q CB 0.479 29.259 28.738 0.070 0.000 1.157 438 Q HN 0.396 nan 8.270 nan 0.000 0.482 439 L N 0.102 121.372 121.223 0.079 0.000 2.079 439 L HA -0.222 4.118 4.340 0.000 0.000 0.210 439 L C 1.899 178.829 176.870 0.098 0.000 1.081 439 L CA 1.292 56.193 54.840 0.102 0.000 0.752 439 L CB -0.053 42.094 42.059 0.146 0.000 0.896 439 L HN 0.242 nan 8.230 nan 0.000 0.433 440 E N 0.062 120.311 120.200 0.082 0.000 2.358 440 E HA -0.061 4.289 4.350 0.000 0.000 0.195 440 E C 0.767 177.406 176.600 0.064 0.000 1.010 440 E CA 0.263 56.706 56.400 0.072 0.000 0.856 440 E CB 0.207 29.943 29.700 0.059 0.000 0.795 440 E HN 0.118 nan 8.360 nan 0.000 0.504 441 K N 0.657 121.095 120.400 0.064 0.000 2.312 441 K HA 0.313 4.634 4.320 0.000 0.000 0.287 441 K C -0.719 175.916 176.600 0.058 0.000 1.062 441 K CA -0.251 56.069 56.287 0.056 0.000 0.934 441 K CB 0.724 33.256 32.500 0.053 0.000 1.027 441 K HN 0.031 nan 8.250 nan 0.000 0.478 442 A N 5.399 128.250 122.820 0.052 0.000 2.520 442 A HA 0.211 4.531 4.320 0.000 0.000 0.245 442 A C -0.425 177.182 177.584 0.037 0.000 1.072 442 A CA 0.022 52.089 52.037 0.049 0.000 0.761 442 A CB 0.014 19.048 19.000 0.056 0.000 1.004 442 A HN 0.771 nan 8.150 nan 0.000 0.499 443 L N 2.395 123.627 121.223 0.015 0.000 2.362 443 L HA 0.371 4.711 4.340 0.000 0.000 0.271 443 L C -0.761 176.077 176.870 -0.054 0.000 1.002 443 L CA -0.999 53.827 54.840 -0.023 0.000 0.818 443 L CB 2.014 44.035 42.059 -0.063 0.000 1.298 443 L HN 0.607 nan 8.230 nan 0.000 0.420 444 D N 1.661 122.025 120.400 -0.060 0.000 2.256 444 D HA 0.455 5.095 4.640 0.000 0.000 0.250 444 D C -0.454 175.767 176.300 -0.132 0.000 1.093 444 D CA 0.013 53.979 54.000 -0.056 0.000 0.882 444 D CB 1.585 42.354 40.800 -0.051 0.000 1.185 444 D HN 0.585 nan 8.370 nan 0.000 0.437 445 C N 0.469 119.701 119.300 -0.113 0.000 3.291 445 C HA 0.620 5.080 4.460 0.000 0.000 0.316 445 C C -0.969 173.976 174.990 -0.074 0.000 1.391 445 C CA -0.901 58.029 59.018 -0.146 0.000 1.394 445 C CB 1.358 28.955 27.740 -0.238 0.000 1.744 445 C HN 0.503 nan 8.230 nan 0.000 0.461 446 Q N 0.713 120.471 119.800 -0.070 0.000 2.316 446 Q HA 0.738 5.078 4.340 0.000 0.000 0.264 446 Q C -1.232 174.746 176.000 -0.036 0.000 0.987 446 Q CA -0.246 55.548 55.803 -0.014 0.000 0.852 446 Q CB 2.060 30.799 28.738 0.002 0.000 1.287 446 Q HN 0.710 nan 8.270 nan 0.000 0.448 447 I N 2.950 123.512 120.570 -0.013 0.000 2.439 447 I HA 0.170 4.340 4.170 0.000 0.000 0.285 447 I C -0.947 175.212 176.117 0.070 0.000 1.021 447 I CA -0.756 60.457 61.300 -0.146 0.000 1.091 447 I CB 1.099 38.737 38.000 -0.604 0.000 1.242 447 I HN 0.657 nan 8.210 nan 0.000 0.439 448 Y N 5.117 125.477 120.300 0.100 0.000 3.721 448 Y HA -0.268 4.282 4.550 0.000 0.000 0.218 448 Y C 1.487 177.367 175.900 -0.033 0.000 1.188 448 Y CA 1.124 59.264 58.100 0.066 0.000 1.607 448 Y CB -1.987 36.526 38.460 0.088 0.000 1.496 448 Y HN 0.977 nan 8.280 nan 0.000 0.626 449 G N -2.245 106.655 108.800 0.167 0.000 2.241 449 G HA2 -0.010 3.950 3.960 0.000 0.000 0.244 449 G HA3 -0.010 3.950 3.960 0.000 0.000 0.244 449 G C 0.457 175.398 174.900 0.069 0.000 0.998 449 G CA 0.134 45.291 45.100 0.094 0.000 0.621 449 G HN 1.530 nan 8.290 nan 0.000 0.519 450 A N -0.409 122.462 122.820 0.085 0.000 2.316 450 A HA 0.635 4.955 4.320 0.000 0.000 0.284 450 A C 0.721 178.145 177.584 -0.266 0.000 1.115 450 A CA 0.462 52.394 52.037 -0.176 0.000 0.812 450 A CB 0.883 19.688 19.000 -0.324 0.000 1.064 450 A HN 1.547 nan 8.150 nan 0.000 0.489 451 C N 2.496 121.556 119.300 -0.400 0.000 2.435 451 C HA 0.714 5.174 4.460 0.000 0.000 0.375 451 C C -0.909 173.668 174.990 -0.689 0.000 1.281 451 C CA -0.417 58.441 59.018 -0.266 0.000 1.963 451 C CB -1.491 26.300 27.740 0.085 0.000 2.490 451 C HN 0.638 nan 8.230 nan 0.000 0.557 452 Y N 3.054 123.154 120.300 -0.333 0.000 2.446 452 Y HA 0.420 4.970 4.550 0.000 0.000 0.345 452 Y C 0.450 176.203 175.900 -0.246 0.000 0.984 452 Y CA -0.394 57.459 58.100 -0.412 0.000 1.058 452 Y CB 1.749 39.903 38.460 -0.511 0.000 1.220 452 Y HN 0.591 nan 8.280 nan 0.000 0.455 453 S N 4.429 120.082 115.700 -0.078 0.000 2.430 453 S HA 0.570 5.041 4.470 0.000 0.000 0.289 453 S C -0.832 173.805 174.600 0.062 0.000 1.143 453 S CA -0.526 57.694 58.200 0.033 0.000 1.067 453 S CB -0.415 62.840 63.200 0.091 0.000 0.964 453 S HN 0.442 nan 8.310 nan 0.000 0.485 454 I N 4.082 124.677 120.570 0.041 0.000 2.474 454 I HA 0.393 4.564 4.170 0.000 0.000 0.294 454 I C 0.124 176.271 176.117 0.050 0.000 1.005 454 I CA -0.700 60.639 61.300 0.064 0.000 1.113 454 I CB 1.845 39.862 38.000 0.029 0.000 1.289 454 I HN 0.633 nan 8.210 nan 0.000 0.436 455 E N 6.799 127.045 120.200 0.075 0.000 2.130 455 E HA 0.216 4.566 4.350 0.000 0.000 0.284 455 E C -1.687 174.972 176.600 0.098 0.000 1.018 455 E CA -1.468 54.979 56.400 0.078 0.000 0.817 455 E CB 1.233 30.981 29.700 0.079 0.000 1.078 455 E HN 0.317 nan 8.360 nan 0.000 0.396 456 P HA -0.190 nan 4.420 nan 0.000 0.218 456 P C 0.829 178.289 177.300 0.266 0.000 1.146 456 P CA 1.105 64.293 63.100 0.145 0.000 0.813 456 P CB 0.221 31.954 31.700 0.056 0.000 0.778 457 L N -1.010 120.343 121.223 0.216 0.000 2.376 457 L HA -0.088 4.253 4.340 0.000 0.000 0.219 457 L C 1.244 178.211 176.870 0.162 0.000 1.133 457 L CA 1.047 56.022 54.840 0.225 0.000 0.816 457 L CB -0.619 41.539 42.059 0.166 0.000 0.933 457 L HN -0.059 nan 8.230 nan 0.000 0.449 458 D N -0.346 120.135 120.400 0.135 0.000 2.340 458 D HA 0.024 4.664 4.640 0.000 0.000 0.220 458 D C 2.209 178.571 176.300 0.103 0.000 1.039 458 D CA 0.258 54.310 54.000 0.086 0.000 0.866 458 D CB 0.324 41.160 40.800 0.059 0.000 0.913 458 D HN 0.259 nan 8.370 nan 0.000 0.523 459 L N 0.998 122.327 121.223 0.176 0.000 2.013 459 L HA -0.170 4.170 4.340 0.000 0.000 0.212 459 L C -0.445 176.536 176.870 0.186 0.000 1.073 459 L CA 1.650 56.614 54.840 0.208 0.000 0.753 459 L CB -1.424 40.829 42.059 0.323 0.000 0.890 459 L HN 0.055 nan 8.230 nan 0.000 0.432 460 P HA -0.211 nan 4.420 nan 0.000 0.215 460 P C 1.371 178.736 177.300 0.107 0.000 1.157 460 P CA 1.363 64.515 63.100 0.086 0.000 0.874 460 P CB 0.026 31.607 31.700 -0.198 0.000 0.790 461 Q N -0.829 118.968 119.800 -0.004 0.000 2.084 461 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 461 Q C 2.207 178.198 176.000 -0.015 0.000 0.978 461 Q CA 1.320 57.105 55.803 -0.032 0.000 0.844 461 Q CB -1.048 27.652 28.738 -0.065 0.000 0.898 461 Q HN 0.249 nan 8.270 nan 0.000 0.426 462 I N 0.046 120.614 120.570 -0.004 0.000 2.163 462 I HA -0.288 3.882 4.170 0.000 0.000 0.243 462 I C 1.995 178.134 176.117 0.036 0.000 1.085 462 I CA 1.226 62.502 61.300 -0.041 0.000 1.347 462 I CB -0.214 37.801 38.000 0.025 0.000 1.044 462 I HN 0.205 nan 8.210 nan 0.000 0.408 463 I N 0.195 120.845 120.570 0.132 0.000 2.252 463 I HA -0.279 3.891 4.170 0.000 0.000 0.245 463 I C 2.587 178.722 176.117 0.029 0.000 1.102 463 I CA 1.311 62.699 61.300 0.147 0.000 1.385 463 I CB -0.421 37.647 38.000 0.112 0.000 1.064 463 I HN 0.295 nan 8.210 nan 0.000 0.414 464 E N 1.222 121.462 120.200 0.066 0.000 2.070 464 E HA -0.261 4.090 4.350 0.000 0.000 0.197 464 E C 2.397 178.984 176.600 -0.021 0.000 1.004 464 E CA 1.289 57.710 56.400 0.034 0.000 0.805 464 E CB 0.092 29.852 29.700 0.101 0.000 0.744 464 E HN 0.268 nan 8.360 nan 0.000 0.451 465 R N 0.036 120.511 120.500 -0.041 0.000 2.096 465 R HA -0.091 4.249 4.340 0.000 0.000 0.235 465 R C 2.408 178.647 176.300 -0.101 0.000 1.127 465 R CA 0.976 57.030 56.100 -0.076 0.000 0.968 465 R CB -0.391 29.837 30.300 -0.121 0.000 0.861 465 R HN 0.382 nan 8.270 nan 0.000 0.440 466 L N -1.049 120.088 121.223 -0.144 0.000 2.354 466 L HA 0.045 4.385 4.340 0.000 0.000 0.212 466 L C 1.610 178.154 176.870 -0.544 0.000 1.091 466 L CA 0.759 55.398 54.840 -0.336 0.000 0.828 466 L CB -0.215 41.602 42.059 -0.403 0.000 0.973 466 L HN 0.237 nan 8.230 nan 0.000 0.461 467 H N -0.625 118.374 119.070 -0.118 0.000 3.255 467 H HA 0.313 4.869 4.556 0.000 0.000 0.256 467 H C 0.926 176.171 175.328 -0.138 0.000 1.049 467 H CA 0.765 56.730 56.048 -0.138 0.000 1.202 467 H CB 1.349 30.998 29.762 -0.189 0.000 1.497 467 H HN 0.249 nan 8.280 nan 0.000 0.503 468 G N 1.134 109.912 108.800 -0.036 0.000 2.746 468 G HA2 -0.227 3.733 3.960 0.000 0.000 0.685 468 G HA3 -0.227 3.733 3.960 0.000 0.000 0.685 468 G C 0.608 175.450 174.900 -0.097 0.000 1.350 468 G CA -0.152 44.922 45.100 -0.042 0.000 0.837 468 G HN 0.200 nan 8.290 nan 0.000 0.564 469 L N 1.012 122.232 121.223 -0.005 0.000 2.275 469 L HA -0.070 4.270 4.340 0.000 0.000 0.215 469 L C 3.163 180.052 176.870 0.033 0.000 1.119 469 L CA 2.032 56.929 54.840 0.095 0.000 0.790 469 L CB -0.450 41.733 42.059 0.206 0.000 0.919 469 L HN 0.902 nan 8.230 nan 0.000 0.443 470 S N -0.016 115.666 115.700 -0.030 0.000 2.442 470 S HA -0.162 4.308 4.470 0.000 0.000 0.236 470 S C 2.138 176.659 174.600 -0.132 0.000 1.007 470 S CA 0.760 58.933 58.200 -0.045 0.000 0.965 470 S CB -0.365 62.799 63.200 -0.060 0.000 0.773 470 S HN 0.365 nan 8.310 nan 0.000 0.504 471 A N 0.888 123.537 122.820 -0.286 0.000 2.024 471 A HA 0.072 4.393 4.320 0.000 0.000 0.220 471 A C 1.533 178.911 177.584 -0.344 0.000 1.164 471 A CA 1.214 52.994 52.037 -0.429 0.000 0.643 471 A CB -0.879 17.744 19.000 -0.627 0.000 0.806 471 A HN 0.605 nan 8.150 nan 0.000 0.451 472 F N -0.536 119.428 119.950 0.024 0.000 2.765 472 F HA 0.182 4.709 4.527 0.000 0.000 0.302 472 F C 1.411 177.261 175.800 0.083 0.000 1.111 472 F CA 0.533 58.576 58.000 0.072 0.000 1.359 472 F CB 0.186 39.270 39.000 0.140 0.000 1.097 472 F HN 0.086 nan 8.300 nan 0.000 0.577 473 S N -0.555 115.253 115.700 0.179 0.000 2.900 473 S HA 0.297 4.767 4.470 0.000 0.000 0.253 473 S C 0.269 174.944 174.600 0.124 0.000 1.029 473 S CA -0.342 57.959 58.200 0.168 0.000 1.096 473 S CB 0.224 63.516 63.200 0.154 0.000 1.067 473 S HN -0.001 nan 8.310 nan 0.000 0.610 474 L N 3.575 124.787 121.223 -0.019 0.000 2.453 474 L HA 0.316 4.657 4.340 0.000 0.000 0.272 474 L C 0.566 177.335 176.870 -0.169 0.000 1.182 474 L CA 0.388 55.086 54.840 -0.236 0.000 0.858 474 L CB 0.099 41.890 42.059 -0.446 0.000 1.120 474 L HN 0.544 nan 8.230 nan 0.000 0.474 475 H N -1.377 117.504 119.070 -0.315 0.000 2.928 475 H HA 0.407 4.963 4.556 0.000 0.000 0.285 475 H C -0.278 174.910 175.328 -0.234 0.000 1.438 475 H CA -0.927 55.002 56.048 -0.198 0.000 1.176 475 H CB 0.920 30.676 29.762 -0.009 0.000 1.864 475 H HN 0.375 nan 8.280 nan 0.000 0.567 476 S N -0.607 115.167 115.700 0.123 0.000 3.572 476 S HA -0.232 4.238 4.470 0.000 0.000 0.394 476 S C -0.780 173.846 174.600 0.043 0.000 0.923 476 S CA 0.427 58.708 58.200 0.134 0.000 1.291 476 S CB -2.445 60.848 63.200 0.155 0.000 0.914 476 S HN 0.505 nan 8.310 nan 0.000 0.545 477 Y N 1.713 122.066 120.300 0.088 0.000 2.314 477 Y HA 0.345 4.896 4.550 0.000 0.000 0.334 477 Y C 1.356 177.309 175.900 0.089 0.000 1.266 477 Y CA 0.197 58.342 58.100 0.075 0.000 1.391 477 Y CB 0.517 39.013 38.460 0.059 0.000 1.306 477 Y HN 0.538 nan 8.280 nan 0.000 0.558 478 S N 2.105 117.956 115.700 0.251 0.000 2.562 478 S HA 0.102 4.572 4.470 0.000 0.000 0.281 478 S C -1.987 172.697 174.600 0.140 0.000 1.333 478 S CA -1.121 57.171 58.200 0.153 0.000 1.052 478 S CB 1.128 64.392 63.200 0.107 0.000 0.884 478 S HN 0.452 nan 8.310 nan 0.000 0.506 479 P HA -0.075 nan 4.420 nan 0.000 0.217 479 P C 1.691 179.033 177.300 0.069 0.000 1.151 479 P CA 1.813 64.962 63.100 0.082 0.000 0.849 479 P CB -0.423 31.315 31.700 0.064 0.000 0.787 480 G N -0.298 108.540 108.800 0.063 0.000 2.421 480 G HA2 -0.274 3.686 3.960 0.000 0.000 0.216 480 G HA3 -0.274 3.686 3.960 0.000 0.000 0.216 480 G C 1.655 176.586 174.900 0.051 0.000 1.171 480 G CA 0.895 46.023 45.100 0.047 0.000 0.775 480 G HN 0.253 nan 8.290 nan 0.000 0.543 481 E N 0.845 121.093 120.200 0.080 0.000 2.031 481 E HA -0.096 4.254 4.350 0.000 0.000 0.193 481 E C 2.465 179.108 176.600 0.073 0.000 0.994 481 E CA 0.984 57.443 56.400 0.098 0.000 0.800 481 E CB -0.484 29.326 29.700 0.184 0.000 0.752 481 E HN 0.488 nan 8.360 nan 0.000 0.447 482 I N 0.873 121.491 120.570 0.081 0.000 2.151 482 I HA -0.339 3.831 4.170 0.000 0.000 0.243 482 I C 2.005 178.145 176.117 0.038 0.000 1.080 482 I CA 1.333 62.665 61.300 0.054 0.000 1.339 482 I CB -0.501 37.547 38.000 0.080 0.000 1.039 482 I HN 0.182 nan 8.210 nan 0.000 0.409 483 N N 0.624 119.348 118.700 0.040 0.000 2.142 483 N HA -0.187 4.553 4.740 0.000 0.000 0.186 483 N C 1.902 177.420 175.510 0.012 0.000 1.023 483 N CA 1.142 54.209 53.050 0.028 0.000 0.852 483 N CB -0.426 38.078 38.487 0.029 0.000 0.998 483 N HN 0.348 nan 8.380 nan 0.000 0.424 484 R N 0.900 121.403 120.500 0.005 0.000 2.081 484 R HA -0.041 4.299 4.340 0.000 0.000 0.235 484 R C 1.881 178.154 176.300 -0.045 0.000 1.131 484 R CA 0.961 57.048 56.100 -0.021 0.000 0.960 484 R CB -0.155 30.128 30.300 -0.028 0.000 0.856 484 R HN -0.041 nan 8.270 nan 0.000 0.436 485 V N 1.120 121.015 119.914 -0.031 0.000 2.261 485 V HA -0.252 3.869 4.120 0.000 0.000 0.246 485 V C 2.522 178.601 176.094 -0.025 0.000 1.047 485 V CA 2.030 64.303 62.300 -0.045 0.000 1.015 485 V CB -0.902 30.923 31.823 0.002 0.000 0.642 485 V HN 0.573 nan 8.190 nan 0.000 0.446 486 A N -0.010 122.812 122.820 0.003 0.000 1.883 486 A HA -0.275 4.045 4.320 0.000 0.000 0.217 486 A C 2.601 180.196 177.584 0.017 0.000 1.186 486 A CA 2.567 54.616 52.037 0.021 0.000 0.624 486 A CB -0.946 18.073 19.000 0.032 0.000 0.822 486 A HN 0.594 nan 8.150 nan 0.000 0.444 487 S N -1.169 114.536 115.700 0.008 0.000 2.399 487 S HA -0.210 4.260 4.470 0.000 0.000 0.231 487 S C 2.069 176.671 174.600 0.003 0.000 1.022 487 S CA 1.656 59.861 58.200 0.009 0.000 0.983 487 S CB -1.137 62.065 63.200 0.004 0.000 0.803 487 S HN 0.791 nan 8.310 nan 0.000 0.480 488 C N 1.316 120.603 119.300 -0.023 0.000 2.446 488 C HA 0.114 4.575 4.460 0.000 0.000 0.277 488 C C 2.564 177.549 174.990 -0.009 0.000 1.275 488 C CA 0.858 59.854 59.018 -0.037 0.000 1.727 488 C CB -1.731 25.946 27.740 -0.105 0.000 2.010 488 C HN 0.711 nan 8.230 nan 0.000 0.486 489 L N 0.455 121.677 121.223 -0.000 0.000 2.083 489 L HA -0.115 4.226 4.340 0.000 0.000 0.209 489 L C 3.036 179.928 176.870 0.037 0.000 1.083 489 L CA 1.646 56.502 54.840 0.027 0.000 0.752 489 L CB -0.894 41.201 42.059 0.060 0.000 0.899 489 L HN 0.364 nan 8.230 nan 0.000 0.433 490 R N 0.480 121.008 120.500 0.047 0.000 2.073 490 R HA -0.198 4.142 4.340 0.000 0.000 0.234 490 R C 2.376 178.749 176.300 0.122 0.000 1.134 490 R CA 1.550 57.692 56.100 0.071 0.000 0.952 490 R CB -0.321 30.015 30.300 0.060 0.000 0.850 490 R HN 0.296 nan 8.270 nan 0.000 0.433 491 K N 1.051 121.511 120.400 0.100 0.000 2.032 491 K HA -0.132 4.188 4.320 0.000 0.000 0.209 491 K C 1.901 178.649 176.600 0.248 0.000 1.048 491 K CA 1.344 57.711 56.287 0.134 0.000 0.927 491 K CB -0.024 32.520 32.500 0.072 0.000 0.712 491 K HN 0.137 nan 8.250 nan 0.000 0.441 492 L N -0.462 120.847 121.223 0.144 0.000 2.509 492 L HA 0.128 4.469 4.340 0.000 0.000 0.222 492 L C 0.814 177.603 176.870 -0.135 0.000 1.123 492 L CA 0.414 55.320 54.840 0.110 0.000 0.856 492 L CB 0.148 42.239 42.059 0.053 0.000 0.985 492 L HN 0.586 nan 8.230 nan 0.000 0.456 493 G N 1.103 109.727 108.800 -0.293 0.000 2.289 493 G HA2 -0.213 3.747 3.960 0.000 0.000 0.280 493 G HA3 -0.213 3.747 3.960 0.000 0.000 0.280 493 G C -0.181 174.583 174.900 -0.228 0.000 1.089 493 G CA -0.063 44.675 45.100 -0.603 0.000 0.939 493 G HN 0.076 nan 8.290 nan 0.000 0.499 494 V N 0.913 120.796 119.914 -0.052 0.000 2.439 494 V HA 0.444 4.565 4.120 0.000 0.000 0.282 494 V C -1.261 174.922 176.094 0.148 0.000 1.039 494 V CA -1.679 60.676 62.300 0.092 0.000 0.913 494 V CB 1.632 33.536 31.823 0.135 0.000 0.983 494 V HN 0.223 nan 8.190 nan 0.000 0.460 495 P HA 0.093 nan 4.420 nan 0.000 0.266 495 P C -2.445 174.983 177.300 0.215 0.000 1.193 495 P CA -0.614 62.518 63.100 0.054 0.000 0.770 495 P CB -0.202 31.355 31.700 -0.239 0.000 0.836 496 P HA 0.049 nan 4.420 nan 0.000 0.272 496 P C 0.893 178.372 177.300 0.299 0.000 1.240 496 P CA -0.018 63.189 63.100 0.178 0.000 0.791 496 P CB 0.721 32.476 31.700 0.093 0.000 0.978 497 L N 0.662 122.064 121.223 0.298 0.000 2.187 497 L HA -0.216 4.124 4.340 0.000 0.000 0.213 497 L C 2.837 179.899 176.870 0.320 0.000 1.100 497 L CA 1.644 56.695 54.840 0.351 0.000 0.765 497 L CB -0.818 41.353 42.059 0.187 0.000 0.904 497 L HN 0.462 nan 8.230 nan 0.000 0.437 498 R N -0.384 120.239 120.500 0.205 0.000 2.096 498 R HA -0.113 4.228 4.340 0.000 0.000 0.235 498 R C 2.004 178.388 176.300 0.141 0.000 1.127 498 R CA 1.452 57.651 56.100 0.165 0.000 0.968 498 R CB -1.116 29.242 30.300 0.096 0.000 0.861 498 R HN 0.160 nan 8.270 nan 0.000 0.440 499 V N 0.576 120.521 119.914 0.052 0.000 2.343 499 V HA -0.191 3.929 4.120 0.000 0.000 0.247 499 V C 1.970 178.025 176.094 -0.065 0.000 1.051 499 V CA 1.803 64.047 62.300 -0.094 0.000 1.036 499 V CB -0.678 30.967 31.823 -0.297 0.000 0.654 499 V HN 0.375 nan 8.190 nan 0.000 0.451 500 W N 0.156 121.565 121.300 0.181 0.000 2.388 500 W HA -0.090 4.570 4.660 0.000 0.000 0.294 500 W C 2.729 179.467 176.519 0.365 0.000 1.212 500 W CA 1.439 58.935 57.345 0.251 0.000 1.271 500 W CB -0.298 29.299 29.460 0.229 0.000 1.126 500 W HN 0.058 nan 8.180 nan 0.000 0.535 501 R N -0.142 120.699 120.500 0.570 0.000 2.073 501 R HA -0.247 4.093 4.340 0.000 0.000 0.234 501 R C 2.107 178.532 176.300 0.209 0.000 1.134 501 R CA 2.227 58.614 56.100 0.480 0.000 0.952 501 R CB -0.804 29.749 30.300 0.422 0.000 0.850 501 R HN 0.244 nan 8.270 nan 0.000 0.433 502 H N 0.222 119.348 119.070 0.093 0.000 2.290 502 H HA -0.077 4.480 4.556 0.000 0.000 0.298 502 H C 2.126 177.437 175.328 -0.029 0.000 1.087 502 H CA 2.422 58.472 56.048 0.004 0.000 1.291 502 H CB 0.057 29.807 29.762 -0.020 0.000 1.369 502 H HN 0.159 nan 8.280 nan 0.000 0.492 503 R N -0.199 120.316 120.500 0.026 0.000 2.091 503 R HA -0.101 4.239 4.340 0.000 0.000 0.238 503 R C 2.608 178.850 176.300 -0.097 0.000 1.136 503 R CA 1.077 57.149 56.100 -0.047 0.000 0.959 503 R CB -0.422 29.886 30.300 0.014 0.000 0.856 503 R HN 0.424 nan 8.270 nan 0.000 0.437 504 A N 1.292 124.105 122.820 -0.010 0.000 1.940 504 A HA -0.212 4.108 4.320 0.000 0.000 0.219 504 A C 2.077 179.393 177.584 -0.447 0.000 1.176 504 A CA 1.445 53.351 52.037 -0.218 0.000 0.631 504 A CB -0.412 18.538 19.000 -0.083 0.000 0.814 504 A HN 0.251 nan 8.150 nan 0.000 0.446 505 R N -0.699 119.600 120.500 -0.335 0.000 2.096 505 R HA -0.103 4.237 4.340 0.000 0.000 0.235 505 R C 2.650 178.764 176.300 -0.310 0.000 1.127 505 R CA 1.465 57.371 56.100 -0.324 0.000 0.968 505 R CB -0.362 29.779 30.300 -0.266 0.000 0.861 505 R HN 0.592 nan 8.270 nan 0.000 0.440 506 S N 0.209 115.725 115.700 -0.307 0.000 2.345 506 S HA -0.087 4.384 4.470 0.000 0.000 0.219 506 S C 2.061 176.513 174.600 -0.246 0.000 1.031 506 S CA 1.141 59.193 58.200 -0.247 0.000 0.984 506 S CB -0.155 62.914 63.200 -0.218 0.000 0.874 506 S HN 0.103 nan 8.310 nan 0.000 0.451 507 V N 2.690 122.418 119.914 -0.310 0.000 2.282 507 V HA -0.201 3.919 4.120 0.000 0.000 0.249 507 V C 2.770 178.608 176.094 -0.426 0.000 1.057 507 V CA 2.403 64.489 62.300 -0.357 0.000 1.032 507 V CB -0.898 30.634 31.823 -0.484 0.000 0.645 507 V HN 0.521 nan 8.190 nan 0.000 0.447 508 R N 0.127 120.278 120.500 -0.581 0.000 2.094 508 R HA -0.218 4.122 4.340 0.000 0.000 0.239 508 R C 2.317 178.491 176.300 -0.209 0.000 1.137 508 R CA 1.995 57.858 56.100 -0.395 0.000 0.943 508 R CB -0.547 29.539 30.300 -0.356 0.000 0.850 508 R HN 0.487 nan 8.270 nan 0.000 0.433 509 A N 0.880 123.582 122.820 -0.196 0.000 1.902 509 A HA -0.165 4.155 4.320 0.000 0.000 0.217 509 A C 2.209 179.734 177.584 -0.098 0.000 1.181 509 A CA 1.515 53.473 52.037 -0.132 0.000 0.623 509 A CB -0.468 18.454 19.000 -0.130 0.000 0.818 509 A HN 0.387 nan 8.150 nan 0.000 0.443 510 R N -0.608 119.829 120.500 -0.104 0.000 2.083 510 R HA -0.095 4.246 4.340 0.000 0.000 0.237 510 R C 2.105 178.386 176.300 -0.032 0.000 1.137 510 R CA 1.665 57.727 56.100 -0.062 0.000 0.951 510 R CB -0.579 29.686 30.300 -0.059 0.000 0.851 510 R HN 0.518 nan 8.270 nan 0.000 0.434 511 L N 0.583 121.785 121.223 -0.035 0.000 2.012 511 L HA -0.215 4.125 4.340 0.000 0.000 0.210 511 L C 2.398 179.269 176.870 0.001 0.000 1.073 511 L CA 1.267 56.113 54.840 0.010 0.000 0.748 511 L CB -0.478 41.593 42.059 0.020 0.000 0.891 511 L HN 0.224 nan 8.230 nan 0.000 0.431 512 L N -1.067 120.139 121.223 -0.029 0.000 2.079 512 L HA -0.220 4.120 4.340 0.000 0.000 0.210 512 L C 2.668 179.527 176.870 -0.018 0.000 1.081 512 L CA 1.088 55.913 54.840 -0.026 0.000 0.752 512 L CB -0.593 41.437 42.059 -0.048 0.000 0.896 512 L HN 0.205 nan 8.230 nan 0.000 0.433 513 S N -0.713 114.974 115.700 -0.022 0.000 2.419 513 S HA -0.200 4.270 4.470 0.000 0.000 0.233 513 S C 1.854 176.453 174.600 -0.002 0.000 1.016 513 S CA 1.144 59.334 58.200 -0.016 0.000 0.974 513 S CB -0.140 63.048 63.200 -0.021 0.000 0.786 513 S HN 0.497 nan 8.310 nan 0.000 0.492 514 Q N 0.118 119.923 119.800 0.008 0.000 2.424 514 Q HA 0.255 4.595 4.340 0.000 0.000 0.204 514 Q C 1.261 177.275 176.000 0.023 0.000 0.933 514 Q CA 0.268 56.083 55.803 0.020 0.000 0.929 514 Q CB 0.109 28.868 28.738 0.035 0.000 1.037 514 Q HN 0.537 nan 8.270 nan 0.000 0.511 515 G N 0.187 108.999 108.800 0.019 0.000 2.752 515 G HA2 -0.159 3.801 3.960 0.000 0.000 0.234 515 G HA3 -0.159 3.801 3.960 0.000 0.000 0.234 515 G C 0.446 175.366 174.900 0.032 0.000 1.367 515 G CA -0.347 44.765 45.100 0.020 0.000 0.879 515 G HN 0.711 nan 8.290 nan 0.000 0.563 516 G N -0.935 107.883 108.800 0.030 0.000 2.582 516 G HA2 -0.261 3.699 3.960 0.000 0.000 0.288 516 G HA3 -0.261 3.699 3.960 0.000 0.000 0.288 516 G C 1.169 176.096 174.900 0.045 0.000 1.247 516 G CA 1.400 46.521 45.100 0.035 0.000 0.972 516 G HN 1.471 nan 8.290 nan 0.000 0.557 517 R N 0.486 121.018 120.500 0.053 0.000 2.148 517 R HA 0.132 4.472 4.340 0.000 0.000 0.227 517 R C 3.140 179.493 176.300 0.089 0.000 1.103 517 R CA 1.639 57.778 56.100 0.064 0.000 0.983 517 R CB -0.477 29.865 30.300 0.069 0.000 0.874 517 R HN 0.630 nan 8.270 nan 0.000 0.451 518 A N 1.378 124.255 122.820 0.096 0.000 1.873 518 A HA -0.074 4.246 4.320 0.000 0.000 0.215 518 A C 2.380 180.012 177.584 0.080 0.000 1.186 518 A CA 1.551 53.659 52.037 0.117 0.000 0.616 518 A CB -0.536 18.530 19.000 0.111 0.000 0.823 518 A HN 0.356 nan 8.150 nan 0.000 0.442 519 A N -0.847 122.006 122.820 0.055 0.000 1.902 519 A HA -0.091 4.229 4.320 0.000 0.000 0.217 519 A C 2.285 179.896 177.584 0.044 0.000 1.181 519 A CA 2.313 54.370 52.037 0.034 0.000 0.623 519 A CB -1.354 17.659 19.000 0.022 0.000 0.818 519 A HN 0.434 nan 8.150 nan 0.000 0.443 520 T N -0.584 114.012 114.554 0.070 0.000 2.665 520 T HA -0.237 4.113 4.350 0.000 0.000 0.268 520 T C 1.906 176.675 174.700 0.115 0.000 1.035 520 T CA 1.656 63.830 62.100 0.122 0.000 1.151 520 T CB -0.798 68.113 68.868 0.072 0.000 0.862 520 T HN 0.583 nan 8.240 nan 0.000 0.438 521 C N 1.274 120.606 119.300 0.053 0.000 2.413 521 C HA -0.004 4.456 4.460 0.000 0.000 0.277 521 C C 3.142 178.121 174.990 -0.018 0.000 1.228 521 C CA 0.613 59.617 59.018 -0.023 0.000 1.731 521 C CB -1.579 26.143 27.740 -0.029 0.000 2.042 521 C HN 0.751 nan 8.230 nan 0.000 0.468 522 G N -0.004 108.819 108.800 0.038 0.000 2.440 522 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 522 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 522 G C 1.642 176.556 174.900 0.022 0.000 1.154 522 G CA 1.298 46.444 45.100 0.076 0.000 0.767 522 G HN 0.656 nan 8.290 nan 0.000 0.552 523 K N -0.826 119.546 120.400 -0.047 0.000 2.001 523 K HA -0.062 4.259 4.320 0.000 0.000 0.208 523 K C 2.268 178.669 176.600 -0.331 0.000 1.048 523 K CA 1.128 57.302 56.287 -0.189 0.000 0.932 523 K CB -0.286 32.078 32.500 -0.227 0.000 0.715 523 K HN 0.408 nan 8.250 nan 0.000 0.437 524 Y N 0.950 121.065 120.300 -0.309 0.000 2.206 524 Y HA -0.049 4.502 4.550 0.000 0.000 0.292 524 Y C 2.095 177.695 175.900 -0.499 0.000 1.123 524 Y CA 0.977 58.702 58.100 -0.625 0.000 1.142 524 Y CB -0.056 37.762 38.460 -1.070 0.000 1.006 524 Y HN -0.029 nan 8.280 nan 0.000 0.518 525 L N -1.849 119.229 121.223 -0.241 0.000 2.291 525 L HA -0.123 4.218 4.340 0.000 0.000 0.214 525 L C 0.623 177.243 176.870 -0.416 0.000 1.120 525 L CA 1.208 55.862 54.840 -0.310 0.000 0.799 525 L CB -0.294 41.385 42.059 -0.634 0.000 0.925 525 L HN 0.196 nan 8.230 nan 0.000 0.446 526 F N -1.702 118.196 119.950 -0.086 0.000 2.735 526 F HA 0.196 4.723 4.527 0.000 0.000 0.308 526 F C 1.578 177.065 175.800 -0.522 0.000 1.112 526 F CA -0.411 57.333 58.000 -0.426 0.000 1.235 526 F CB -0.396 38.353 39.000 -0.418 0.000 1.027 526 F HN -0.102 nan 8.300 nan 0.000 0.528 527 N N 1.145 119.776 118.700 -0.115 0.000 2.272 527 N HA -0.196 4.544 4.740 0.000 0.000 0.185 527 N C 1.959 177.453 175.510 -0.026 0.000 1.014 527 N CA 1.601 54.600 53.050 -0.085 0.000 0.870 527 N CB -0.187 38.271 38.487 -0.049 0.000 0.975 527 N HN 0.555 nan 8.380 nan 0.000 0.433 528 W N -0.415 120.936 121.300 0.085 0.000 2.465 528 W HA 0.122 4.782 4.660 0.000 0.000 0.268 528 W C 1.290 177.874 176.519 0.109 0.000 1.242 528 W CA 0.687 58.092 57.345 0.100 0.000 1.248 528 W CB -0.847 28.682 29.460 0.116 0.000 1.118 528 W HN 0.037 nan 8.180 nan 0.000 0.587 529 A N 1.422 123.881 122.820 -0.601 0.000 2.169 529 A HA 0.215 4.535 4.320 0.000 0.000 0.212 529 A C 0.979 178.435 177.584 -0.213 0.000 1.153 529 A CA 1.112 52.794 52.037 -0.590 0.000 0.756 529 A CB -0.768 17.644 19.000 -0.979 0.000 0.813 529 A HN 0.141 nan 8.150 nan 0.000 0.471 530 V N -3.881 115.944 119.914 -0.148 0.000 2.715 530 V HA 0.521 4.641 4.120 0.000 0.000 0.310 530 V C 0.730 176.804 176.094 -0.034 0.000 1.054 530 V CA -0.840 61.406 62.300 -0.089 0.000 0.928 530 V CB 1.668 33.425 31.823 -0.109 0.000 1.007 530 V HN 0.210 nan 8.190 nan 0.000 0.437 531 K N 1.063 121.449 120.400 -0.024 0.000 2.001 531 K HA -0.009 4.311 4.320 0.000 0.000 0.208 531 K C 1.197 177.784 176.600 -0.023 0.000 1.048 531 K CA 1.717 57.996 56.287 -0.012 0.000 0.932 531 K CB -0.132 32.362 32.500 -0.009 0.000 0.715 531 K HN 0.935 nan 8.250 nan 0.000 0.437 532 T N 2.127 116.661 114.554 -0.033 0.000 2.747 532 T HA 0.155 4.505 4.350 0.000 0.000 0.301 532 T C -0.636 174.036 174.700 -0.047 0.000 0.952 532 T CA -0.839 61.239 62.100 -0.036 0.000 0.983 532 T CB 0.326 69.173 68.868 -0.034 0.000 0.930 532 T HN -0.026 nan 8.240 nan 0.000 0.494 533 K N 4.465 124.838 120.400 -0.045 0.000 2.098 533 K HA 0.477 4.797 4.320 0.000 0.000 0.257 533 K C 0.086 176.644 176.600 -0.071 0.000 0.999 533 K CA -0.852 55.401 56.287 -0.056 0.000 0.924 533 K CB 1.403 33.880 32.500 -0.038 0.000 1.028 533 K HN 0.542 nan 8.250 nan 0.000 0.466 534 L N 1.264 122.425 121.223 -0.102 0.000 2.421 534 L HA 0.259 4.599 4.340 0.000 0.000 0.263 534 L C 0.284 177.077 176.870 -0.128 0.000 1.122 534 L CA -0.957 53.810 54.840 -0.122 0.000 0.804 534 L CB 0.407 42.365 42.059 -0.167 0.000 1.150 534 L HN 0.470 nan 8.230 nan 0.000 0.457 535 K N 2.193 122.528 120.400 -0.109 0.000 2.312 535 K HA 0.335 4.655 4.320 0.000 0.000 0.287 535 K C -0.972 175.552 176.600 -0.127 0.000 1.062 535 K CA 0.139 56.378 56.287 -0.081 0.000 0.934 535 K CB 0.176 32.652 32.500 -0.040 0.000 1.027 535 K HN 0.406 nan 8.250 nan 0.000 0.478 536 L N 5.686 126.846 121.223 -0.105 0.000 2.270 536 L HA 0.302 4.643 4.340 0.000 0.000 0.286 536 L C 0.242 177.194 176.870 0.136 0.000 1.059 536 L CA -0.753 54.024 54.840 -0.106 0.000 0.839 536 L CB 0.690 42.687 42.059 -0.102 0.000 1.221 536 L HN 0.769 nan 8.230 nan 0.000 0.431 537 T N 0.195 114.864 114.554 0.192 0.000 2.943 537 T HA 0.526 4.876 4.350 0.000 0.000 0.284 537 T C -2.549 172.282 174.700 0.218 0.000 1.015 537 T CA -2.291 59.914 62.100 0.175 0.000 1.042 537 T CB 1.361 70.295 68.868 0.110 0.000 1.055 537 T HN 0.193 nan 8.240 nan 0.000 0.500 538 P HA 0.101 nan 4.420 nan 0.000 0.261 538 P C -0.396 176.921 177.300 0.028 0.000 1.173 538 P CA 0.071 63.217 63.100 0.077 0.000 0.760 538 P CB 0.033 31.762 31.700 0.049 0.000 0.783 539 I N 6.378 126.909 120.570 -0.065 0.000 2.452 539 I HA 0.057 4.227 4.170 0.000 0.000 0.287 539 I C -1.015 175.061 176.117 -0.068 0.000 1.079 539 I CA -1.773 59.445 61.300 -0.136 0.000 1.387 539 I CB 0.517 38.331 38.000 -0.310 0.000 1.404 539 I HN 0.260 nan 8.210 nan 0.000 0.522 540 P HA -0.256 nan 4.420 nan 0.000 0.215 540 P C 1.441 178.719 177.300 -0.037 0.000 1.157 540 P CA 1.418 64.502 63.100 -0.026 0.000 0.874 540 P CB 0.192 31.884 31.700 -0.013 0.000 0.790 541 A N -0.350 122.443 122.820 -0.047 0.000 2.070 541 A HA -0.079 4.241 4.320 0.000 0.000 0.220 541 A C 2.275 179.824 177.584 -0.059 0.000 1.159 541 A CA 1.781 53.789 52.037 -0.047 0.000 0.656 541 A CB -1.473 17.502 19.000 -0.043 0.000 0.800 541 A HN 0.206 nan 8.150 nan 0.000 0.453 542 A N -0.249 122.529 122.820 -0.070 0.000 1.978 542 A HA -0.083 4.237 4.320 0.000 0.000 0.220 542 A C 2.357 179.896 177.584 -0.074 0.000 1.170 542 A CA 1.992 53.983 52.037 -0.076 0.000 0.636 542 A CB -0.729 18.231 19.000 -0.067 0.000 0.810 542 A HN 0.476 nan 8.150 nan 0.000 0.448 543 S N -0.457 115.210 115.700 -0.055 0.000 2.447 543 S HA -0.100 4.370 4.470 0.000 0.000 0.233 543 S C 1.872 176.441 174.600 -0.052 0.000 1.006 543 S CA 1.009 59.180 58.200 -0.048 0.000 0.957 543 S CB -0.114 63.067 63.200 -0.032 0.000 0.773 543 S HN 0.605 nan 8.310 nan 0.000 0.507 544 Q N 0.268 120.036 119.800 -0.054 0.000 2.376 544 Q HA 0.249 4.589 4.340 0.000 0.000 0.206 544 Q C 0.438 176.396 176.000 -0.071 0.000 0.921 544 Q CA -0.039 55.733 55.803 -0.051 0.000 0.911 544 Q CB -0.057 28.658 28.738 -0.038 0.000 1.032 544 Q HN 0.480 nan 8.270 nan 0.000 0.510 545 L N 2.564 123.730 121.223 -0.096 0.000 2.578 545 L HA -0.089 4.252 4.340 0.000 0.000 0.279 545 L C 0.356 177.126 176.870 -0.168 0.000 1.227 545 L CA 0.228 54.983 54.840 -0.140 0.000 0.900 545 L CB 0.241 42.184 42.059 -0.193 0.000 1.144 545 L HN -0.041 nan 8.230 nan 0.000 0.496 546 D N 5.248 125.552 120.400 -0.161 0.000 2.500 546 D HA 0.185 4.825 4.640 0.000 0.000 0.219 546 D C 0.412 176.557 176.300 -0.258 0.000 1.137 546 D CA -0.086 53.825 54.000 -0.148 0.000 0.946 546 D CB 0.514 41.272 40.800 -0.070 0.000 1.022 546 D HN 0.368 nan 8.370 nan 0.000 0.518 547 L N 2.107 123.106 121.223 -0.375 0.000 2.791 547 L HA 0.125 4.465 4.340 0.000 0.000 0.239 547 L C 0.919 177.625 176.870 -0.274 0.000 1.203 547 L CA -0.344 54.085 54.840 -0.686 0.000 1.002 547 L CB -0.181 41.365 42.059 -0.855 0.000 1.295 547 L HN 0.202 nan 8.230 nan 0.000 0.504 548 S N -0.450 115.189 115.700 -0.102 0.000 2.549 548 S HA 0.491 4.961 4.470 0.000 0.000 0.279 548 S C 1.226 175.865 174.600 0.065 0.000 1.321 548 S CA 0.297 58.495 58.200 -0.004 0.000 1.054 548 S CB 1.505 64.698 63.200 -0.013 0.000 0.899 548 S HN 0.551 nan 8.310 nan 0.000 0.497 549 G N 2.573 111.416 108.800 0.071 0.000 2.258 549 G HA2 -0.247 3.713 3.960 0.000 0.000 0.233 549 G HA3 -0.247 3.713 3.960 0.000 0.000 0.233 549 G C 0.553 175.555 174.900 0.171 0.000 1.006 549 G CA 0.239 45.353 45.100 0.025 0.000 0.620 549 G HN 0.679 nan 8.290 nan 0.000 0.511 550 W N 0.377 121.544 121.300 -0.221 0.000 2.379 550 W HA 0.448 5.108 4.660 0.000 0.000 0.307 550 W C 1.269 177.362 176.519 -0.710 0.000 1.200 550 W CA 1.438 58.402 57.345 -0.635 0.000 1.297 550 W CB -0.375 28.413 29.460 -1.120 0.000 1.140 550 W HN 0.196 nan 8.180 nan 0.000 0.507 551 F N -0.766 119.370 119.950 0.309 0.000 2.597 551 F HA 0.313 4.840 4.527 0.000 0.000 0.336 551 F C 0.599 176.531 175.800 0.219 0.000 1.432 551 F CA -0.698 57.475 58.000 0.289 0.000 1.120 551 F CB -0.385 38.744 39.000 0.215 0.000 1.253 551 F HN -0.376 nan 8.300 nan 0.000 0.546 552 V N -0.154 119.964 119.914 0.340 0.000 2.743 552 V HA 0.598 4.719 4.120 0.000 0.000 0.237 552 V C 1.024 177.272 176.094 0.256 0.000 1.113 552 V CA 0.807 63.252 62.300 0.241 0.000 1.141 552 V CB 0.239 32.176 31.823 0.190 0.000 0.873 552 V HN 0.384 nan 8.190 nan 0.000 0.486 553 A N -0.837 122.109 122.820 0.209 0.000 2.583 553 A HA 0.800 5.120 4.320 0.000 0.000 0.289 553 A C -0.311 176.990 177.584 -0.472 0.000 1.151 553 A CA 0.064 52.088 52.037 -0.022 0.000 0.695 553 A CB 1.039 19.870 19.000 -0.281 0.000 1.290 553 A HN 0.418 nan 8.150 nan 0.000 0.419 554 G N -1.528 106.697 108.800 -0.959 0.000 2.389 554 G HA2 0.559 4.519 3.960 0.000 0.000 0.328 554 G HA3 0.559 4.519 3.960 0.000 0.000 0.328 554 G C -1.063 173.196 174.900 -1.069 0.000 1.133 554 G CA -0.136 44.061 45.100 -1.506 0.000 0.891 554 G HN 0.592 nan 8.290 nan 0.000 0.485 555 Y N 0.785 120.895 120.300 -0.317 0.000 2.742 555 Y HA 0.296 4.847 4.550 0.000 0.000 0.248 555 Y C 1.249 177.086 175.900 -0.106 0.000 1.132 555 Y CA -0.812 57.200 58.100 -0.147 0.000 1.142 555 Y CB 0.576 38.984 38.460 -0.086 0.000 1.222 555 Y HN 0.510 nan 8.280 nan 0.000 0.575 556 S N 0.955 116.639 115.700 -0.027 0.000 2.596 556 S HA 0.314 4.784 4.470 0.000 0.000 0.298 556 S C 1.461 176.090 174.600 0.049 0.000 1.255 556 S CA 1.412 59.627 58.200 0.024 0.000 1.083 556 S CB 0.002 63.219 63.200 0.030 0.000 0.837 556 S HN 1.094 nan 8.310 nan 0.000 0.499 557 G N 3.597 112.427 108.800 0.049 0.000 2.184 557 G HA2 -0.232 3.728 3.960 0.000 0.000 0.264 557 G HA3 -0.232 3.728 3.960 0.000 0.000 0.264 557 G C 0.832 175.763 174.900 0.051 0.000 0.975 557 G CA 0.393 45.524 45.100 0.052 0.000 0.642 557 G HN 1.382 nan 8.290 nan 0.000 0.536 558 G N -0.194 108.641 108.800 0.059 0.000 2.985 558 G HA2 0.370 4.330 3.960 0.000 0.000 0.209 558 G HA3 0.370 4.330 3.960 0.000 0.000 0.209 558 G C 0.524 175.438 174.900 0.022 0.000 1.165 558 G CA 1.139 46.288 45.100 0.081 0.000 0.776 558 G HN 1.233 nan 8.290 nan 0.000 0.541 559 D N -0.606 119.770 120.400 -0.040 0.000 2.699 559 D HA -0.162 4.479 4.640 0.000 0.000 0.239 559 D C -0.142 176.062 176.300 -0.159 0.000 1.136 559 D CA 0.356 54.291 54.000 -0.109 0.000 0.668 559 D CB -1.180 39.569 40.800 -0.084 0.000 1.060 559 D HN 0.113 nan 8.370 nan 0.000 0.429 560 I N 1.228 121.671 120.570 -0.213 0.000 2.441 560 I HA 0.392 4.562 4.170 0.000 0.000 0.295 560 I C -0.124 175.725 176.117 -0.446 0.000 0.994 560 I CA -0.759 60.305 61.300 -0.393 0.000 1.144 560 I CB 1.309 38.942 38.000 -0.611 0.000 1.314 560 I HN 0.095 nan 8.210 nan 0.000 0.445 561 Y N 5.656 125.577 120.300 -0.632 0.000 2.391 561 Y HA 0.494 5.044 4.550 0.000 0.000 0.341 561 Y C -0.621 174.915 175.900 -0.608 0.000 0.965 561 Y CA -0.393 57.362 58.100 -0.575 0.000 1.067 561 Y CB 1.399 39.653 38.460 -0.344 0.000 1.199 561 Y HN 0.638 nan 8.280 nan 0.000 0.450 562 H N 0.000 118.475 119.070 -0.992 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.610 56.048 -0.730 0.000 1.023 562 H CB 0.000 29.327 29.762 -0.725 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496