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 3m46_1_A DATA FIRST_RESID 0 DATA SEQUENCE AMIRKYRYGA PFDTEALTEK IETAEEAFPY GEISQKEGFA FTYIMDEDDI DATA SEQUENCE VYGLGESNRG INKRGYCYIS NCTADPIHTE DKRSLYGAHN FIIVSGKTTF DATA SEQUENCE GLFFDYPSKL TFDIGYTRMD TLKVSCENAD LDIYVIEGEN AYDIVKQFRR DATA SEQUENCE VIGRSYIPPK FAFGFGQSRW GYTTKEDFRA VAKGYRENHI PIDMIYMDID DATA SEQUENCE YMQDFKDFTV NEKNFPDFPE FVKEMKDQEL RLIPIIDAGV KVEKGYEVYE DATA SEQUENCE EGVKNNYFCK REDGSDFVAA VWPGDTHFPD MLNPEARKWF GDKYRFLIDQ DATA SEQUENCE GIEGFWNDMN EPAIFYSSEG LAEAKEFAGE FAKDTEGKIH PWAMQAKMKD DATA SEQUENCE IVNSPEDYKR FYHNVNGKKI RHDKVHNLFG YNMTRAAGEA FERIDPEKRF DATA SEQUENCE LMFSRSSYIG MHRYGGIWMG DNKSWWSHIL LNLKMLPSLN MCGFMYTGAD DATA SEQUENCE LGGXXDDTTR DLLLRFLALG VFTPLMRDHA AEXXXXXXXX XXENIEDFRS DATA SEQUENCE VINARYRLVP YLYSEYMKAA LNDDMYFKPL GFVYPDDKMA IRVEDQLMLG DATA SEQUENCE NEIMIAPVYE QNARGRYVYL PEEMKFIKFM PDGSISEEVL EKGVHYVDVA DATA SEQUENCE LNEVPLFIRS GKCIPVAEAA ECVKDIDTEN MQLIGYEGSS YTLYEDDGIH DATA SEQUENCE KDYDKKENYR VLTK 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.594 177.584 0.016 0.000 1.274 0 A CA 0.000 52.041 52.037 0.006 0.000 0.836 0 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 1 M N 0.024 119.642 119.600 0.030 0.000 2.227 1 M HA 0.365 5.306 4.480 0.768 0.000 0.422 1 M C -0.931 175.416 176.300 0.078 0.000 0.947 1 M CA 0.625 55.954 55.300 0.048 0.000 1.034 1 M CB 0.814 33.438 32.600 0.039 0.000 2.060 1 M HN 0.435 nan 8.290 nan 0.000 0.689 2 I N 1.009 121.626 120.570 0.078 0.000 2.534 2 I HA 0.438 5.069 4.170 0.768 0.000 0.288 2 I C -0.738 175.444 176.117 0.108 0.000 1.077 2 I CA -0.515 60.860 61.300 0.126 0.000 1.051 2 I CB 2.359 40.441 38.000 0.137 0.000 1.234 2 I HN 0.108 nan 8.210 nan 0.000 0.425 3 R N 4.314 124.891 120.500 0.130 0.000 2.686 3 R HA 0.508 5.309 4.340 0.768 0.000 0.286 3 R C -0.976 175.317 176.300 -0.012 0.000 0.969 3 R CA -0.973 55.133 56.100 0.009 0.000 0.898 3 R CB 3.129 33.420 30.300 -0.015 0.000 1.183 3 R HN 0.425 nan 8.270 nan 0.000 0.456 4 K N 2.755 123.015 120.400 -0.234 0.000 2.358 4 K HA 0.294 5.075 4.320 0.768 0.000 0.260 4 K C -1.514 174.798 176.600 -0.480 0.000 0.956 4 K CA -0.490 55.554 56.287 -0.405 0.000 0.834 4 K CB 0.890 33.136 32.500 -0.424 0.000 1.102 4 K HN 0.484 nan 8.250 nan 0.000 0.431 5 Y N 2.972 123.167 120.300 -0.175 0.000 2.335 5 Y HA 0.299 5.310 4.550 0.768 0.000 0.339 5 Y C 0.280 176.069 175.900 -0.185 0.000 0.987 5 Y CA -0.619 57.414 58.100 -0.111 0.000 1.140 5 Y CB 1.340 39.887 38.460 0.145 0.000 1.173 5 Y HN 0.437 nan 8.280 nan 0.000 0.486 6 R N 3.187 123.579 120.500 -0.181 0.000 2.407 6 R HA 0.487 5.288 4.340 0.768 0.000 0.303 6 R C -1.977 174.134 176.300 -0.316 0.000 0.981 6 R CA -0.549 55.460 56.100 -0.150 0.000 0.905 6 R CB 0.704 30.942 30.300 -0.104 0.000 1.099 6 R HN 0.661 nan 8.270 nan 0.000 0.459 7 Y N 3.355 123.678 120.300 0.038 0.000 2.361 7 Y HA 0.430 5.440 4.550 0.767 0.000 0.337 7 Y C 0.972 176.899 175.900 0.046 0.000 0.965 7 Y CA 0.453 58.587 58.100 0.056 0.000 1.091 7 Y CB 2.242 40.738 38.460 0.060 0.000 1.182 7 Y HN 1.047 nan 8.280 nan 0.000 0.450 8 G N 1.974 110.883 108.800 0.181 0.000 2.550 8 G HA2 -0.092 4.329 3.960 0.768 0.000 0.277 8 G HA3 -0.092 4.329 3.960 0.768 0.000 0.277 8 G C -0.251 174.707 174.900 0.097 0.000 1.190 8 G CA -0.114 45.066 45.100 0.134 0.000 0.971 8 G HN 1.325 nan 8.290 nan 0.000 0.559 9 A N 1.745 124.626 122.820 0.102 0.000 3.047 9 A HA 0.713 5.494 4.320 0.768 0.000 0.337 9 A C -1.614 176.036 177.584 0.109 0.000 1.143 9 A CA -0.218 51.870 52.037 0.086 0.000 0.905 9 A CB 0.435 19.478 19.000 0.072 0.000 1.088 9 A HN 0.786 nan 8.150 nan 0.000 0.488 10 P HA -0.049 nan 4.420 nan 0.000 0.261 10 P C -0.099 177.293 177.300 0.153 0.000 1.183 10 P CA 0.296 63.494 63.100 0.162 0.000 0.761 10 P CB 0.138 31.930 31.700 0.153 0.000 0.785 11 F N 3.148 123.125 119.950 0.044 0.000 2.629 11 F HA -0.062 4.924 4.527 0.765 0.000 0.369 11 F C 0.891 176.722 175.800 0.052 0.000 1.125 11 F CA 0.594 58.606 58.000 0.020 0.000 1.330 11 F CB 0.232 39.209 39.000 -0.038 0.000 1.071 11 F HN 0.269 nan 8.300 nan 0.000 0.595 12 D N 3.531 123.594 120.400 -0.561 0.000 2.313 12 D HA 0.110 5.211 4.640 0.768 0.000 0.239 12 D C 0.896 177.220 176.300 0.039 0.000 1.142 12 D CA 0.131 54.017 54.000 -0.189 0.000 0.847 12 D CB 1.175 41.849 40.800 -0.210 0.000 1.082 12 D HN 0.631 nan 8.370 nan 0.000 0.480 13 T N 0.155 114.884 114.554 0.291 0.000 3.057 13 T HA -0.002 4.809 4.350 0.768 0.000 0.254 13 T C 0.584 175.546 174.700 0.436 0.000 1.094 13 T CA -0.167 62.184 62.100 0.420 0.000 1.088 13 T CB -0.016 69.147 68.868 0.492 0.000 0.934 13 T HN 0.430 nan 8.240 nan 0.000 0.497 14 E N 0.357 120.740 120.200 0.304 0.000 2.403 14 E HA -0.256 4.555 4.350 0.768 0.000 0.241 14 E C 1.065 177.862 176.600 0.328 0.000 1.201 14 E CA 0.641 57.200 56.400 0.265 0.000 0.721 14 E CB -1.706 28.116 29.700 0.202 0.000 1.245 14 E HN 0.775 nan 8.360 nan 0.000 0.392 15 A N -0.449 122.579 122.820 0.346 0.000 1.854 15 A HA 0.035 4.816 4.320 0.768 0.000 0.214 15 A C 1.185 178.782 177.584 0.022 0.000 1.192 15 A CA 0.663 52.854 52.037 0.257 0.000 0.611 15 A CB 0.080 19.320 19.000 0.399 0.000 0.832 15 A HN 0.172 nan 8.150 nan 0.000 0.442 16 L N 0.047 121.246 121.223 -0.041 0.000 2.417 16 L HA 0.223 5.024 4.340 0.768 0.000 0.268 16 L C 1.707 178.541 176.870 -0.059 0.000 1.158 16 L CA 1.033 55.768 54.840 -0.175 0.000 0.819 16 L CB 1.144 43.071 42.059 -0.220 0.000 1.112 16 L HN 0.443 nan 8.230 nan 0.000 0.458 17 T N -2.924 111.570 114.554 -0.100 0.000 2.985 17 T HA 0.187 4.998 4.350 0.768 0.000 0.254 17 T C 0.499 175.170 174.700 -0.048 0.000 1.021 17 T CA -0.276 61.794 62.100 -0.049 0.000 0.957 17 T CB 0.007 68.840 68.868 -0.058 0.000 1.047 17 T HN 0.473 nan 8.240 nan 0.000 0.511 18 E N 1.513 121.667 120.200 -0.077 0.000 2.197 18 E HA 0.330 5.141 4.350 0.768 0.000 0.281 18 E C -0.671 175.926 176.600 -0.006 0.000 0.995 18 E CA -0.647 55.723 56.400 -0.050 0.000 0.808 18 E CB 0.833 30.485 29.700 -0.079 0.000 1.093 18 E HN 0.222 nan 8.360 nan 0.000 0.394 19 K N 3.965 124.376 120.400 0.018 0.000 2.350 19 K HA 0.221 5.001 4.320 0.768 0.000 0.279 19 K C -0.370 176.272 176.600 0.071 0.000 1.027 19 K CA -0.199 56.119 56.287 0.052 0.000 0.969 19 K CB 0.615 33.135 32.500 0.033 0.000 0.954 19 K HN 0.445 nan 8.250 nan 0.000 0.474 20 I N 3.431 124.075 120.570 0.125 0.000 2.436 20 I HA 0.086 4.717 4.170 0.768 0.000 0.289 20 I C 0.312 176.455 176.117 0.044 0.000 1.010 20 I CA -0.934 60.433 61.300 0.111 0.000 1.098 20 I CB 1.510 39.647 38.000 0.227 0.000 1.266 20 I HN 0.704 nan 8.210 nan 0.000 0.434 21 E N 3.848 124.049 120.200 0.001 0.000 2.442 21 E HA 0.070 4.881 4.350 0.768 0.000 0.262 21 E C -0.501 176.045 176.600 -0.091 0.000 1.004 21 E CA -0.226 56.151 56.400 -0.038 0.000 0.928 21 E CB 0.307 29.981 29.700 -0.042 0.000 0.937 21 E HN 0.481 nan 8.360 nan 0.000 0.446 22 T N 2.364 116.853 114.554 -0.109 0.000 2.853 22 T HA 0.283 5.093 4.350 0.768 0.000 0.298 22 T C 0.101 174.664 174.700 -0.229 0.000 0.978 22 T CA 0.099 62.093 62.100 -0.176 0.000 1.152 22 T CB 0.670 69.458 68.868 -0.132 0.000 0.914 22 T HN 0.629 nan 8.240 nan 0.000 0.539 23 A N 3.509 126.091 122.820 -0.398 0.000 2.409 23 A HA 0.337 5.118 4.320 0.768 0.000 0.262 23 A C 0.863 178.282 177.584 -0.276 0.000 1.113 23 A CA -0.485 51.290 52.037 -0.437 0.000 0.790 23 A CB 0.227 18.686 19.000 -0.901 0.000 1.046 23 A HN 0.761 nan 8.150 nan 0.000 0.496 24 E N 1.628 121.743 120.200 -0.142 0.000 2.609 24 E HA 0.085 4.896 4.350 0.768 0.000 0.208 24 E C 0.189 176.784 176.600 -0.008 0.000 1.013 24 E CA 0.069 56.431 56.400 -0.063 0.000 1.093 24 E CB 0.202 29.870 29.700 -0.053 0.000 1.129 24 E HN 0.928 nan 8.360 nan 0.000 0.450 25 E N -0.983 119.234 120.200 0.029 0.000 2.412 25 E HA 0.688 5.499 4.350 0.768 0.000 0.255 25 E C -0.528 176.182 176.600 0.183 0.000 0.933 25 E CA -1.150 55.295 56.400 0.075 0.000 0.823 25 E CB 1.049 30.776 29.700 0.045 0.000 1.352 25 E HN -0.091 nan 8.360 nan 0.000 0.406 26 A N 0.852 123.748 122.820 0.127 0.000 2.450 26 A HA 0.210 4.991 4.320 0.768 0.000 0.255 26 A C -0.483 177.157 177.584 0.093 0.000 1.096 26 A CA -0.385 51.725 52.037 0.122 0.000 0.778 26 A CB -0.492 18.537 19.000 0.048 0.000 1.031 26 A HN 0.511 nan 8.150 nan 0.000 0.494 27 F N 5.486 125.363 119.950 -0.121 0.000 2.569 27 F HA 0.144 5.131 4.527 0.767 0.000 0.395 27 F C -0.732 174.890 175.800 -0.297 0.000 1.028 27 F CA -0.995 56.738 58.000 -0.445 0.000 1.158 27 F CB 0.776 39.578 39.000 -0.330 0.000 1.023 27 F HN 0.536 nan 8.300 nan 0.000 0.547 28 P HA -0.108 nan 4.420 nan 0.000 0.220 28 P C -0.826 175.992 177.300 -0.804 0.000 1.152 28 P CA 1.303 63.924 63.100 -0.798 0.000 0.812 28 P CB 0.168 31.210 31.700 -1.096 0.000 0.792 29 Y N -0.457 119.642 120.300 -0.334 0.000 2.429 29 Y HA 0.535 5.546 4.550 0.768 0.000 0.342 29 Y C 1.390 177.546 175.900 0.426 0.000 1.004 29 Y CA -0.217 57.848 58.100 -0.059 0.000 1.075 29 Y CB 1.326 39.447 38.460 -0.566 0.000 1.214 29 Y HN 0.161 nan 8.280 nan 0.000 0.455 30 G N 2.001 111.156 108.800 0.590 0.000 2.697 30 G HA2 -0.218 4.203 3.960 0.768 0.000 0.240 30 G HA3 -0.218 4.203 3.960 0.768 0.000 0.240 30 G C -0.830 174.206 174.900 0.228 0.000 1.346 30 G CA -0.618 44.722 45.100 0.399 0.000 0.887 30 G HN 0.644 nan 8.290 nan 0.000 0.569 31 E N -0.613 119.600 120.200 0.022 0.000 2.191 31 E HA 0.572 5.382 4.350 0.768 0.000 0.274 31 E C -0.011 176.523 176.600 -0.110 0.000 0.948 31 E CA -0.897 55.487 56.400 -0.027 0.000 0.802 31 E CB 1.493 31.144 29.700 -0.082 0.000 1.137 31 E HN 0.376 nan 8.360 nan 0.000 0.397 32 I N 1.828 122.302 120.570 -0.159 0.000 2.412 32 I HA 0.307 4.938 4.170 0.768 0.000 0.296 32 I C -0.082 175.823 176.117 -0.353 0.000 0.987 32 I CA -0.338 60.736 61.300 -0.376 0.000 1.180 32 I CB 1.379 39.117 38.000 -0.435 0.000 1.340 32 I HN 0.372 nan 8.210 nan 0.000 0.455 33 S N 4.898 120.302 115.700 -0.493 0.000 2.541 33 S HA 0.487 5.418 4.470 0.768 0.000 0.280 33 S C -0.341 174.033 174.600 -0.376 0.000 1.112 33 S CA -0.431 57.570 58.200 -0.332 0.000 0.925 33 S CB 1.732 64.785 63.200 -0.245 0.000 1.067 33 S HN 0.644 nan 8.310 nan 0.000 0.479 34 Q N 2.248 121.923 119.800 -0.208 0.000 2.135 34 Q HA 0.257 5.058 4.340 0.768 0.000 0.231 34 Q C 1.227 177.185 176.000 -0.071 0.000 0.817 34 Q CA -0.307 55.416 55.803 -0.133 0.000 1.073 34 Q CB 0.610 29.319 28.738 -0.047 0.000 1.176 34 Q HN 0.728 nan 8.270 nan 0.000 0.478 35 K N 2.008 122.358 120.400 -0.084 0.000 2.057 35 K HA -0.148 4.633 4.320 0.768 0.000 0.207 35 K C 1.116 177.689 176.600 -0.044 0.000 1.049 35 K CA 1.390 57.644 56.287 -0.054 0.000 0.931 35 K CB 0.363 32.828 32.500 -0.059 0.000 0.714 35 K HN 0.174 nan 8.250 nan 0.000 0.440 36 E N -0.612 119.553 120.200 -0.059 0.000 3.105 36 E HA 0.154 4.965 4.350 0.768 0.000 0.219 36 E C 0.303 176.885 176.600 -0.030 0.000 1.064 36 E CA 0.185 56.560 56.400 -0.042 0.000 1.342 36 E CB 0.607 30.278 29.700 -0.048 0.000 1.295 36 E HN 0.463 nan 8.360 nan 0.000 0.438 37 G N 1.491 110.284 108.800 -0.011 0.000 3.138 37 G HA2 -0.259 4.162 3.960 0.768 0.000 0.247 37 G HA3 -0.259 4.162 3.960 0.768 0.000 0.247 37 G C -0.634 174.299 174.900 0.056 0.000 1.642 37 G CA -0.128 44.986 45.100 0.023 0.000 1.087 37 G HN 0.422 nan 8.290 nan 0.000 0.558 38 F N 1.696 121.562 119.950 -0.141 0.000 2.588 38 F HA 0.733 5.721 4.527 0.770 0.000 0.314 38 F C -0.395 175.288 175.800 -0.194 0.000 1.134 38 F CA 0.287 58.169 58.000 -0.197 0.000 0.961 38 F CB 1.890 40.734 39.000 -0.260 0.000 1.239 38 F HN 1.380 nan 8.300 nan 0.000 0.448 39 A N 5.474 127.822 122.820 -0.787 0.000 2.427 39 A HA 0.662 5.443 4.320 0.768 0.000 0.298 39 A C -2.328 174.916 177.584 -0.567 0.000 1.036 39 A CA -0.502 51.256 52.037 -0.464 0.000 0.701 39 A CB 0.912 19.753 19.000 -0.265 0.000 1.250 39 A HN 0.832 nan 8.150 nan 0.000 0.412 40 F N 2.439 122.197 119.950 -0.320 0.000 2.411 40 F HA 0.714 5.702 4.527 0.769 0.000 0.352 40 F C -0.293 175.505 175.800 -0.004 0.000 1.123 40 F CA 0.054 57.966 58.000 -0.146 0.000 1.044 40 F CB 1.762 40.844 39.000 0.137 0.000 1.135 40 F HN 0.420 nan 8.300 nan 0.000 0.461 41 T N 6.692 120.851 114.554 -0.657 0.000 2.824 41 T HA 0.367 5.178 4.350 0.768 0.000 0.282 41 T C -1.939 172.448 174.700 -0.522 0.000 0.993 41 T CA -0.451 61.355 62.100 -0.489 0.000 0.967 41 T CB 1.012 69.732 68.868 -0.247 0.000 0.960 41 T HN 0.613 nan 8.240 nan 0.000 0.441 42 Y N 3.310 123.330 120.300 -0.466 0.000 2.470 42 Y HA 0.561 5.572 4.550 0.769 0.000 0.341 42 Y C -1.530 174.344 175.900 -0.044 0.000 1.021 42 Y CA -1.392 56.580 58.100 -0.214 0.000 1.025 42 Y CB 1.049 39.463 38.460 -0.077 0.000 1.266 42 Y HN 0.431 nan 8.280 nan 0.000 0.448 43 I N 6.931 127.029 120.570 -0.785 0.000 2.315 43 I HA 0.307 4.938 4.170 0.768 0.000 0.291 43 I C -0.215 175.491 176.117 -0.685 0.000 1.006 43 I CA -0.472 60.513 61.300 -0.525 0.000 1.265 43 I CB 0.966 38.768 38.000 -0.330 0.000 1.387 43 I HN 0.717 nan 8.210 nan 0.000 0.475 44 M N 4.142 123.580 119.600 -0.270 0.000 2.249 44 M HA 0.194 5.135 4.480 0.768 0.000 0.351 44 M C 0.230 176.496 176.300 -0.057 0.000 1.180 44 M CA -0.416 54.836 55.300 -0.080 0.000 1.127 44 M CB 0.919 33.554 32.600 0.059 0.000 1.546 44 M HN 0.469 nan 8.290 nan 0.000 0.461 45 D N 1.212 121.613 120.400 0.001 0.000 2.400 45 D HA -0.060 5.041 4.640 0.768 0.000 0.238 45 D C 0.975 177.279 176.300 0.007 0.000 1.157 45 D CA 0.335 54.340 54.000 0.009 0.000 0.889 45 D CB 0.867 41.690 40.800 0.038 0.000 1.199 45 D HN 0.708 nan 8.370 nan 0.000 0.436 46 E N 0.557 120.757 120.200 0.000 0.000 2.086 46 E HA -0.253 4.558 4.350 0.768 0.000 0.200 46 E C 0.772 177.371 176.600 -0.002 0.000 1.012 46 E CA 1.668 58.066 56.400 -0.003 0.000 0.812 46 E CB 0.158 29.856 29.700 -0.005 0.000 0.743 46 E HN 0.530 nan 8.360 nan 0.000 0.453 47 D N 0.645 121.047 120.400 0.003 0.000 2.323 47 D HA -0.043 5.058 4.640 0.768 0.000 0.209 47 D C -0.304 175.993 176.300 -0.005 0.000 0.973 47 D CA 0.271 54.271 54.000 -0.001 0.000 0.874 47 D CB -0.256 40.548 40.800 0.007 0.000 0.930 47 D HN 0.148 nan 8.370 nan 0.000 0.521 48 D N 0.904 121.306 120.400 0.004 0.000 2.648 48 D HA -0.054 5.047 4.640 0.768 0.000 0.229 48 D C 0.555 176.820 176.300 -0.058 0.000 1.119 48 D CA 0.691 54.686 54.000 -0.008 0.000 0.850 48 D CB 0.829 41.645 40.800 0.027 0.000 1.169 48 D HN 0.161 nan 8.370 nan 0.000 0.489 49 I N 1.742 122.243 120.570 -0.115 0.000 2.460 49 I HA 0.206 4.836 4.170 0.768 0.000 0.298 49 I C -0.126 175.796 176.117 -0.325 0.000 0.989 49 I CA -1.057 60.087 61.300 -0.260 0.000 1.173 49 I CB 1.795 39.544 38.000 -0.418 0.000 1.338 49 I HN -0.045 nan 8.210 nan 0.000 0.456 50 V N 6.693 126.411 119.914 -0.327 0.000 2.347 50 V HA 0.304 4.885 4.120 0.768 0.000 0.280 50 V C -0.634 175.250 176.094 -0.350 0.000 1.021 50 V CA -0.533 61.606 62.300 -0.270 0.000 0.847 50 V CB 0.707 32.457 31.823 -0.122 0.000 0.990 50 V HN 0.403 nan 8.190 nan 0.000 0.444 51 Y N 2.676 122.897 120.300 -0.132 0.000 2.432 51 Y HA 0.848 5.859 4.550 0.768 0.000 0.322 51 Y C 1.022 176.780 175.900 -0.236 0.000 1.246 51 Y CA 0.717 58.735 58.100 -0.136 0.000 1.268 51 Y CB 1.660 40.106 38.460 -0.024 0.000 1.276 51 Y HN 0.915 nan 8.280 nan 0.000 0.499 52 G N -0.378 108.412 108.800 -0.016 0.000 2.428 52 G HA2 -0.109 4.311 3.960 0.768 0.000 0.202 52 G HA3 -0.109 4.311 3.960 0.768 0.000 0.202 52 G C -0.324 174.488 174.900 -0.147 0.000 1.247 52 G CA -0.475 44.557 45.100 -0.114 0.000 1.020 52 G HN 0.973 nan 8.290 nan 0.000 0.529 53 L N -0.104 121.034 121.223 -0.143 0.000 4.560 53 L HA -0.218 4.583 4.340 0.768 0.000 0.415 53 L C 2.478 179.361 176.870 0.022 0.000 1.123 53 L CA 1.413 56.142 54.840 -0.185 0.000 0.991 53 L CB -1.721 40.043 42.059 -0.491 0.000 2.127 53 L HN 2.902 nan 8.230 nan 0.000 0.765 54 G N 0.617 109.509 108.800 0.154 0.000 2.678 54 G HA2 -0.427 3.994 3.960 0.768 0.000 0.362 54 G HA3 -0.427 3.994 3.960 0.768 0.000 0.362 54 G C 0.287 175.322 174.900 0.225 0.000 1.169 54 G CA 0.884 46.163 45.100 0.299 0.000 0.933 54 G HN 0.574 nan 8.290 nan 0.000 0.587 55 E N 1.985 122.376 120.200 0.320 0.000 1.842 55 E HA 0.427 5.237 4.350 0.768 0.000 0.278 55 E C 0.302 176.848 176.600 -0.090 0.000 1.171 55 E CA 0.385 56.793 56.400 0.013 0.000 1.127 55 E CB -0.440 29.236 29.700 -0.041 0.000 1.100 55 E HN 0.606 nan 8.360 nan 0.000 0.456 56 S N 2.528 118.197 115.700 -0.050 0.000 2.667 56 S HA 0.394 5.325 4.470 0.768 0.000 0.292 56 S C -0.100 174.514 174.600 0.023 0.000 1.126 56 S CA -1.129 57.060 58.200 -0.018 0.000 0.881 56 S CB 1.505 64.689 63.200 -0.026 0.000 1.132 56 S HN 0.277 nan 8.310 nan 0.000 0.492 57 N N 0.879 119.649 118.700 0.116 0.000 2.288 57 N HA 0.313 5.514 4.740 0.768 0.000 0.237 57 N C 0.766 176.375 175.510 0.164 0.000 1.311 57 N CA 0.230 53.341 53.050 0.102 0.000 0.909 57 N CB -0.052 38.493 38.487 0.098 0.000 1.167 57 N HN 0.786 nan 8.380 nan 0.000 0.476 58 R N -1.569 118.981 120.500 0.084 0.000 4.021 58 R HA -0.191 4.610 4.340 0.768 0.000 0.352 58 R C 0.500 176.830 176.300 0.050 0.000 0.241 58 R CA 1.264 57.405 56.100 0.069 0.000 1.154 58 R CB -1.841 28.530 30.300 0.118 0.000 1.057 58 R HN 0.674 nan 8.270 nan 0.000 0.535 59 G N -0.745 108.087 108.800 0.054 0.000 2.753 59 G HA2 0.591 5.012 3.960 0.768 0.000 0.285 59 G HA3 0.591 5.012 3.960 0.768 0.000 0.285 59 G C 1.069 175.958 174.900 -0.019 0.000 1.344 59 G CA -0.252 44.851 45.100 0.005 0.000 1.050 59 G HN 0.410 nan 8.290 nan 0.000 0.532 60 I N -0.328 120.223 120.570 -0.033 0.000 2.233 60 I HA -0.065 4.566 4.170 0.768 0.000 0.243 60 I C 0.962 177.032 176.117 -0.080 0.000 1.093 60 I CA 0.488 61.771 61.300 -0.028 0.000 1.380 60 I CB -0.075 37.923 38.000 -0.003 0.000 1.067 60 I HN 0.236 nan 8.210 nan 0.000 0.413 61 N N 2.196 120.820 118.700 -0.127 0.000 2.420 61 N HA -0.010 5.191 4.740 0.768 0.000 0.262 61 N C 0.563 176.020 175.510 -0.087 0.000 1.144 61 N CA 0.319 53.249 53.050 -0.200 0.000 0.952 61 N CB 0.724 39.103 38.487 -0.181 0.000 1.081 61 N HN 0.090 nan 8.380 nan 0.000 0.480 62 K N 2.769 123.106 120.400 -0.106 0.000 2.418 62 K HA 0.065 4.846 4.320 0.768 0.000 0.195 62 K C 0.283 176.987 176.600 0.174 0.000 1.035 62 K CA -0.007 56.276 56.287 -0.007 0.000 1.003 62 K CB 0.256 32.569 32.500 -0.312 0.000 0.793 62 K HN 0.452 nan 8.250 nan 0.000 0.494 63 R N 0.719 121.263 120.500 0.073 0.000 2.523 63 R HA -0.043 4.758 4.340 0.768 0.000 0.281 63 R C 0.805 177.207 176.300 0.171 0.000 0.969 63 R CA 1.226 57.393 56.100 0.111 0.000 1.093 63 R CB -0.139 30.183 30.300 0.037 0.000 0.917 63 R HN 0.500 nan 8.270 nan 0.000 0.408 64 G N 1.164 110.088 108.800 0.207 0.000 2.141 64 G HA2 -0.268 4.153 3.960 0.768 0.000 0.195 64 G HA3 -0.268 4.153 3.960 0.768 0.000 0.195 64 G C -0.888 174.233 174.900 0.369 0.000 1.012 64 G CA -0.174 45.057 45.100 0.217 0.000 0.696 64 G HN 0.597 nan 8.290 nan 0.000 0.508 65 Y N -1.722 118.675 120.300 0.162 0.000 2.818 65 Y HA 0.580 5.591 4.550 0.768 0.000 0.341 65 Y C -0.615 175.149 175.900 -0.226 0.000 1.283 65 Y CA -0.891 57.217 58.100 0.013 0.000 1.075 65 Y CB 0.791 39.121 38.460 -0.217 0.000 1.370 65 Y HN 0.576 nan 8.280 nan 0.000 0.448 66 C N 2.908 121.504 119.300 -1.175 0.000 2.329 66 C HA 0.773 5.694 4.460 0.768 0.000 0.329 66 C C -1.512 172.969 174.990 -0.848 0.000 1.275 66 C CA -0.472 57.988 59.018 -0.929 0.000 1.726 66 C CB -1.151 25.804 27.740 -1.309 0.000 2.291 66 C HN 0.540 nan 8.230 nan 0.000 0.514 67 Y N 5.295 125.554 120.300 -0.068 0.000 2.361 67 Y HA 0.651 5.662 4.550 0.769 0.000 0.337 67 Y C 0.124 176.070 175.900 0.076 0.000 0.965 67 Y CA -0.794 57.314 58.100 0.014 0.000 1.091 67 Y CB 0.813 39.284 38.460 0.018 0.000 1.182 67 Y HN 0.415 nan 8.280 nan 0.000 0.450 68 I N 2.370 123.024 120.570 0.141 0.000 2.362 68 I HA 0.278 4.909 4.170 0.768 0.000 0.289 68 I C -0.244 175.961 176.117 0.148 0.000 0.994 68 I CA -0.493 60.882 61.300 0.124 0.000 1.158 68 I CB 1.590 39.603 38.000 0.020 0.000 1.315 68 I HN 0.548 nan 8.210 nan 0.000 0.451 69 S N 5.283 121.109 115.700 0.211 0.000 2.423 69 S HA 0.215 5.146 4.470 0.768 0.000 0.302 69 S C -0.091 174.597 174.600 0.146 0.000 1.143 69 S CA -0.134 58.182 58.200 0.193 0.000 1.080 69 S CB -0.506 62.873 63.200 0.297 0.000 1.081 69 S HN 0.596 nan 8.310 nan 0.000 0.522 70 N N 2.382 121.144 118.700 0.104 0.000 2.969 70 N HA 0.111 5.312 4.740 0.768 0.000 0.230 70 N C -1.166 174.416 175.510 0.120 0.000 1.397 70 N CA -0.429 52.674 53.050 0.088 0.000 0.762 70 N CB 0.113 38.603 38.487 0.006 0.000 1.495 70 N HN 0.427 nan 8.380 nan 0.000 0.583 71 C N 1.762 121.195 119.300 0.221 0.000 2.409 71 C HA 0.229 5.150 4.460 0.768 0.000 0.399 71 C C 0.877 176.012 174.990 0.241 0.000 1.505 71 C CA 0.299 59.432 59.018 0.192 0.000 1.435 71 C CB -1.699 26.103 27.740 0.103 0.000 2.462 71 C HN 0.549 nan 8.230 nan 0.000 0.619 72 T N 2.542 117.166 114.554 0.116 0.000 2.881 72 T HA 0.569 5.380 4.350 0.768 0.000 0.290 72 T C -0.022 174.729 174.700 0.086 0.000 1.000 72 T CA -0.277 61.883 62.100 0.101 0.000 0.978 72 T CB 0.968 69.855 68.868 0.032 0.000 0.997 72 T HN 0.749 nan 8.240 nan 0.000 0.443 73 A N 3.469 126.403 122.820 0.190 0.000 3.091 73 A HA 0.315 5.096 4.320 0.768 0.000 0.264 73 A C 0.999 178.687 177.584 0.173 0.000 1.673 73 A CA -0.210 51.983 52.037 0.260 0.000 1.362 73 A CB -0.594 18.557 19.000 0.252 0.000 1.137 73 A HN 0.904 nan 8.150 nan 0.000 0.617 74 D N 0.964 121.409 120.400 0.075 0.000 2.338 74 D HA 0.053 5.154 4.640 0.768 0.000 0.208 74 D C -1.574 174.738 176.300 0.019 0.000 0.997 74 D CA -0.213 53.818 54.000 0.052 0.000 0.880 74 D CB -0.675 40.143 40.800 0.030 0.000 0.980 74 D HN 0.267 nan 8.370 nan 0.000 0.509 75 P HA -0.183 nan 4.420 nan 0.000 0.019 75 P C -0.169 176.933 177.300 -0.329 0.000 0.490 75 P CA 0.825 63.776 63.100 -0.249 0.000 1.034 75 P CB -0.500 31.218 31.700 0.031 0.000 1.891 76 I N -0.885 119.413 120.570 -0.454 0.000 3.859 76 I HA 0.026 4.657 4.170 0.768 0.000 0.266 76 I C 0.065 176.132 176.117 -0.083 0.000 1.132 76 I CA -0.316 60.873 61.300 -0.185 0.000 1.361 76 I CB 0.217 38.233 38.000 0.028 0.000 1.690 76 I HN 0.129 nan 8.210 nan 0.000 0.424 77 H N 2.106 121.251 119.070 0.125 0.000 2.819 77 H HA -0.100 4.916 4.556 0.768 0.000 0.323 77 H C 0.161 175.703 175.328 0.356 0.000 1.243 77 H CA 0.613 56.763 56.048 0.170 0.000 1.163 77 H CB -2.516 27.310 29.762 0.107 0.000 1.493 77 H HN 0.437 nan 8.280 nan 0.000 0.434 78 T N -3.327 111.459 114.554 0.387 0.000 2.816 78 T HA 0.297 5.108 4.350 0.768 0.000 0.282 78 T C 1.576 176.388 174.700 0.187 0.000 0.993 78 T CA -0.424 61.863 62.100 0.312 0.000 0.994 78 T CB 1.771 70.763 68.868 0.205 0.000 1.025 78 T HN 0.354 nan 8.240 nan 0.000 0.529 79 E N 0.783 121.042 120.200 0.098 0.000 2.209 79 E HA -0.180 4.631 4.350 0.768 0.000 0.196 79 E C 1.559 178.097 176.600 -0.104 0.000 0.993 79 E CA 1.474 57.860 56.400 -0.022 0.000 0.819 79 E CB -0.087 29.562 29.700 -0.086 0.000 0.745 79 E HN 0.793 nan 8.360 nan 0.000 0.477 80 D N 0.471 120.875 120.400 0.007 0.000 2.348 80 D HA -0.048 5.053 4.640 0.768 0.000 0.211 80 D C 0.301 176.712 176.300 0.185 0.000 0.998 80 D CA 0.120 54.187 54.000 0.113 0.000 0.873 80 D CB 0.095 40.973 40.800 0.130 0.000 0.925 80 D HN -0.158 nan 8.370 nan 0.000 0.524 81 K N 1.748 122.224 120.400 0.126 0.000 2.472 81 K HA 0.046 4.826 4.320 0.768 0.000 0.280 81 K C 1.349 178.001 176.600 0.086 0.000 1.028 81 K CA 0.098 56.446 56.287 0.101 0.000 1.045 81 K CB 0.985 33.549 32.500 0.107 0.000 0.902 81 K HN 0.184 nan 8.250 nan 0.000 0.478 82 R N 0.592 121.110 120.500 0.030 0.000 2.189 82 R HA 0.070 4.871 4.340 0.768 0.000 0.203 82 R C 0.091 176.396 176.300 0.009 0.000 1.012 82 R CA 0.284 56.368 56.100 -0.027 0.000 1.015 82 R CB 0.394 30.631 30.300 -0.104 0.000 0.938 82 R HN 0.300 nan 8.270 nan 0.000 0.472 83 S N 0.902 116.600 115.700 -0.004 0.000 2.605 83 S HA 0.472 5.402 4.470 0.768 0.000 0.308 83 S C 0.067 174.606 174.600 -0.102 0.000 1.113 83 S CA -0.644 57.542 58.200 -0.023 0.000 1.049 83 S CB 1.911 65.106 63.200 -0.010 0.000 1.001 83 S HN -0.008 nan 8.310 nan 0.000 0.480 84 L N 1.282 122.400 121.223 -0.176 0.000 2.793 84 L HA 0.481 5.282 4.340 0.768 0.000 0.188 84 L C 0.635 177.300 176.870 -0.341 0.000 1.949 84 L CA -0.680 53.922 54.840 -0.397 0.000 2.556 84 L CB -0.086 41.690 42.059 -0.472 0.000 2.898 84 L HN 0.640 nan 8.230 nan 0.000 0.621 85 Y N -0.358 119.871 120.300 -0.118 0.000 2.523 85 Y HA 0.249 5.262 4.550 0.771 0.000 0.279 85 Y C 1.175 176.996 175.900 -0.132 0.000 1.139 85 Y CA -0.194 57.849 58.100 -0.095 0.000 1.296 85 Y CB -0.366 38.014 38.460 -0.132 0.000 1.045 85 Y HN 0.342 nan 8.280 nan 0.000 0.538 86 G N 0.212 108.940 108.800 -0.119 0.000 2.379 86 G HA2 0.596 5.017 3.960 0.768 0.000 0.327 86 G HA3 0.596 5.017 3.960 0.768 0.000 0.327 86 G C -1.014 173.664 174.900 -0.371 0.000 1.145 86 G CA -0.625 44.227 45.100 -0.414 0.000 0.905 86 G HN 0.206 nan 8.290 nan 0.000 0.466 87 A N 2.688 125.372 122.820 -0.227 0.000 2.322 87 A HA 0.637 5.418 4.320 0.768 0.000 0.327 87 A C -0.484 177.125 177.584 0.041 0.000 1.394 87 A CA -0.634 51.424 52.037 0.035 0.000 0.921 87 A CB 0.015 19.215 19.000 0.333 0.000 1.153 87 A HN 0.859 nan 8.150 nan 0.000 0.523 88 H N 1.990 121.130 119.070 0.117 0.000 2.675 88 H HA 0.176 5.193 4.556 0.768 0.000 0.258 88 H C -0.281 175.162 175.328 0.192 0.000 1.271 88 H CA -0.622 55.503 56.048 0.129 0.000 1.462 88 H CB 0.682 30.516 29.762 0.120 0.000 1.467 88 H HN 0.812 nan 8.280 nan 0.000 0.501 89 N N 2.201 121.171 118.700 0.450 0.000 2.652 89 N HA 0.004 5.205 4.740 0.768 0.000 0.259 89 N C -0.815 175.117 175.510 0.702 0.000 1.240 89 N CA -0.202 53.172 53.050 0.539 0.000 0.951 89 N CB 0.290 39.103 38.487 0.544 0.000 1.281 89 N HN 0.290 nan 8.380 nan 0.000 0.507 90 F N 2.550 122.689 119.950 0.316 0.000 2.399 90 F HA 0.568 5.558 4.527 0.771 0.000 0.334 90 F C -0.071 175.742 175.800 0.021 0.000 1.097 90 F CA -2.123 55.950 58.000 0.121 0.000 1.076 90 F CB 0.568 39.459 39.000 -0.182 0.000 1.162 90 F HN -0.018 nan 8.300 nan 0.000 0.495 91 I N 3.470 123.863 120.570 -0.295 0.000 2.913 91 I HA 0.634 5.265 4.170 0.768 0.000 0.302 91 I C -1.812 173.988 176.117 -0.529 0.000 1.246 91 I CA -1.041 60.038 61.300 -0.368 0.000 1.010 91 I CB 2.658 40.626 38.000 -0.054 0.000 1.259 91 I HN 0.407 nan 8.210 nan 0.000 0.434 92 I N 4.005 124.335 120.570 -0.401 0.000 2.478 92 I HA 0.382 5.013 4.170 0.768 0.000 0.287 92 I C -0.580 175.367 176.117 -0.283 0.000 1.042 92 I CA -0.999 60.094 61.300 -0.346 0.000 1.067 92 I CB 2.136 39.982 38.000 -0.258 0.000 1.233 92 I HN 0.303 nan 8.210 nan 0.000 0.431 93 V N 4.501 124.075 119.914 -0.565 0.000 2.455 93 V HA 0.192 4.773 4.120 0.768 0.000 0.273 93 V C 0.437 176.328 176.094 -0.339 0.000 1.045 93 V CA 0.038 62.016 62.300 -0.537 0.000 0.976 93 V CB 1.306 32.543 31.823 -0.977 0.000 0.993 93 V HN 0.762 nan 8.190 nan 0.000 0.475 94 S N 3.791 119.412 115.700 -0.132 0.000 2.577 94 S HA 0.779 5.710 4.470 0.768 0.000 0.294 94 S C 0.272 174.875 174.600 0.004 0.000 1.161 94 S CA 0.209 58.409 58.200 -0.000 0.000 1.143 94 S CB 0.384 63.713 63.200 0.215 0.000 0.991 94 S HN 1.090 nan 8.310 nan 0.000 0.475 95 G N 3.033 111.839 108.800 0.010 0.000 2.793 95 G HA2 0.294 4.714 3.960 0.768 0.000 0.248 95 G HA3 0.294 4.714 3.960 0.768 0.000 0.248 95 G C 0.012 174.945 174.900 0.055 0.000 1.198 95 G CA -0.572 44.551 45.100 0.037 0.000 0.865 95 G HN 0.466 nan 8.290 nan 0.000 0.534 96 K N -0.475 119.966 120.400 0.069 0.000 2.148 96 K HA 0.066 4.847 4.320 0.768 0.000 0.204 96 K C 0.470 177.129 176.600 0.100 0.000 1.050 96 K CA 1.190 57.523 56.287 0.077 0.000 0.942 96 K CB -0.129 32.417 32.500 0.075 0.000 0.724 96 K HN 0.276 nan 8.250 nan 0.000 0.446 97 T N 1.097 115.728 114.554 0.128 0.000 2.795 97 T HA 0.262 5.073 4.350 0.768 0.000 0.282 97 T C -0.503 174.254 174.700 0.095 0.000 0.980 97 T CA -0.426 61.777 62.100 0.173 0.000 1.012 97 T CB 1.831 70.869 68.868 0.283 0.000 0.936 97 T HN -0.109 nan 8.240 nan 0.000 0.457 98 T N 4.466 119.078 114.554 0.095 0.000 2.937 98 T HA 0.693 5.503 4.350 0.768 0.000 0.297 98 T C -1.099 173.623 174.700 0.036 0.000 0.991 98 T CA -0.663 61.417 62.100 -0.034 0.000 0.990 98 T CB 0.309 69.177 68.868 -0.001 0.000 0.991 98 T HN 0.555 nan 8.240 nan 0.000 0.440 99 F N -0.266 119.569 119.950 -0.191 0.000 2.693 99 F HA 0.850 5.838 4.527 0.768 0.000 0.309 99 F C -0.210 175.505 175.800 -0.141 0.000 1.129 99 F CA -1.423 56.472 58.000 -0.175 0.000 0.948 99 F CB 0.888 39.678 39.000 -0.349 0.000 1.315 99 F HN 0.653 nan 8.300 nan 0.000 0.447 100 G N 1.595 110.480 108.800 0.143 0.000 2.388 100 G HA2 0.695 5.116 3.960 0.768 0.000 0.330 100 G HA3 0.695 5.116 3.960 0.768 0.000 0.330 100 G C -1.849 173.199 174.900 0.247 0.000 1.142 100 G CA -1.060 44.078 45.100 0.063 0.000 0.908 100 G HN 0.768 nan 8.290 nan 0.000 0.473 101 L N 1.352 122.685 121.223 0.183 0.000 2.385 101 L HA 0.506 5.307 4.340 0.768 0.000 0.273 101 L C -1.301 175.779 176.870 0.350 0.000 0.990 101 L CA -0.835 54.115 54.840 0.183 0.000 0.821 101 L CB 2.398 44.466 42.059 0.015 0.000 1.279 101 L HN 0.508 nan 8.230 nan 0.000 0.412 102 F N 3.491 123.547 119.950 0.177 0.000 2.449 102 F HA 0.561 5.550 4.527 0.770 0.000 0.342 102 F C -1.184 174.785 175.800 0.282 0.000 1.127 102 F CA -0.938 57.231 58.000 0.282 0.000 0.975 102 F CB 0.996 40.090 39.000 0.156 0.000 1.146 102 F HN 0.139 nan 8.300 nan 0.000 0.444 103 F N 4.883 124.663 119.950 -0.285 0.000 2.334 103 F HA 0.220 5.207 4.527 0.767 0.000 0.367 103 F C 0.191 175.656 175.800 -0.558 0.000 1.115 103 F CA -0.643 57.202 58.000 -0.258 0.000 1.116 103 F CB 0.592 39.543 39.000 -0.082 0.000 1.230 103 F HN 0.368 nan 8.300 nan 0.000 0.484 104 D N 4.326 124.560 120.400 -0.276 0.000 2.441 104 D HA 0.129 5.230 4.640 0.768 0.000 0.221 104 D C -1.497 174.983 176.300 0.299 0.000 1.156 104 D CA 0.199 54.155 54.000 -0.073 0.000 0.896 104 D CB -0.014 40.988 40.800 0.338 0.000 1.028 104 D HN 0.435 nan 8.370 nan 0.000 0.509 105 Y N 4.429 124.866 120.300 0.228 0.000 2.390 105 Y HA 0.296 5.308 4.550 0.769 0.000 0.324 105 Y C -2.287 173.700 175.900 0.144 0.000 1.151 105 Y CA -1.568 56.623 58.100 0.150 0.000 1.053 105 Y CB 2.223 40.717 38.460 0.056 0.000 1.277 105 Y HN 0.138 nan 8.280 nan 0.000 0.432 106 P HA 0.111 nan 4.420 nan 0.000 0.249 106 P C 0.078 177.098 177.300 -0.466 0.000 1.229 106 P CA 0.702 63.502 63.100 -0.500 0.000 0.788 106 P CB 0.892 32.251 31.700 -0.568 0.000 1.072 107 S N -0.592 114.705 115.700 -0.671 0.000 2.801 107 S HA 0.360 5.291 4.470 0.768 0.000 0.312 107 S C -0.230 174.424 174.600 0.091 0.000 1.112 107 S CA -0.774 57.239 58.200 -0.311 0.000 0.943 107 S CB 0.769 63.734 63.200 -0.392 0.000 1.269 107 S HN -0.219 nan 8.310 nan 0.000 0.558 108 K N 1.470 121.929 120.400 0.098 0.000 2.367 108 K HA 0.060 4.841 4.320 0.768 0.000 0.275 108 K C -1.121 175.583 176.600 0.174 0.000 1.125 108 K CA 0.135 56.489 56.287 0.111 0.000 1.133 108 K CB -0.209 32.312 32.500 0.035 0.000 0.875 108 K HN 0.255 nan 8.250 nan 0.000 0.467 109 L N 3.842 125.155 121.223 0.150 0.000 2.307 109 L HA 0.324 5.125 4.340 0.768 0.000 0.284 109 L C -0.606 176.224 176.870 -0.066 0.000 1.023 109 L CA 0.113 54.955 54.840 0.003 0.000 0.810 109 L CB 2.089 44.189 42.059 0.067 0.000 1.231 109 L HN 0.415 nan 8.230 nan 0.000 0.423 110 T N 5.487 119.889 114.554 -0.253 0.000 2.791 110 T HA 0.460 5.271 4.350 0.768 0.000 0.288 110 T C -0.735 173.796 174.700 -0.281 0.000 0.999 110 T CA 0.108 62.110 62.100 -0.162 0.000 0.952 110 T CB 0.100 68.898 68.868 -0.116 0.000 0.938 110 T HN 0.209 nan 8.240 nan 0.000 0.444 111 F N 2.819 122.760 119.950 -0.016 0.000 2.291 111 F HA 0.248 5.236 4.527 0.768 0.000 0.368 111 F C 0.793 176.644 175.800 0.084 0.000 1.085 111 F CA -1.021 57.005 58.000 0.043 0.000 1.165 111 F CB 0.720 39.783 39.000 0.105 0.000 1.429 111 F HN 0.437 nan 8.300 nan 0.000 0.503 112 D N 5.560 126.051 120.400 0.151 0.000 2.453 112 D HA 0.183 5.284 4.640 0.768 0.000 0.223 112 D C -0.057 176.368 176.300 0.207 0.000 1.183 112 D CA 0.016 54.092 54.000 0.126 0.000 0.933 112 D CB 0.373 41.216 40.800 0.071 0.000 1.038 112 D HN 0.432 nan 8.370 nan 0.000 0.513 113 I N 2.572 123.310 120.570 0.279 0.000 2.417 113 I HA 0.259 4.890 4.170 0.768 0.000 0.283 113 I C 1.407 177.663 176.117 0.232 0.000 1.121 113 I CA -0.556 60.912 61.300 0.279 0.000 1.211 113 I CB 0.695 38.896 38.000 0.335 0.000 1.492 113 I HN 0.533 nan 8.210 nan 0.000 0.522 114 G N 2.920 111.824 108.800 0.173 0.000 2.157 114 G HA2 -0.391 4.030 3.960 0.768 0.000 0.248 114 G HA3 -0.391 4.030 3.960 0.768 0.000 0.248 114 G C 0.600 175.579 174.900 0.132 0.000 0.979 114 G CA 0.460 45.636 45.100 0.126 0.000 0.650 114 G HN 0.574 nan 8.290 nan 0.000 0.529 115 Y N 1.322 121.634 120.300 0.019 0.000 2.163 115 Y HA 0.003 5.015 4.550 0.769 0.000 0.288 115 Y C 2.855 178.735 175.900 -0.034 0.000 1.136 115 Y CA 2.896 60.976 58.100 -0.033 0.000 1.147 115 Y CB -0.076 38.296 38.460 -0.148 0.000 0.987 115 Y HN 0.230 nan 8.280 nan 0.000 0.509 116 T N 0.350 114.901 114.554 -0.005 0.000 2.866 116 T HA 0.137 4.948 4.350 0.768 0.000 0.250 116 T C 0.314 174.962 174.700 -0.085 0.000 1.033 116 T CA 0.637 62.686 62.100 -0.086 0.000 1.145 116 T CB -0.019 68.860 68.868 0.019 0.000 0.866 116 T HN 0.020 nan 8.240 nan 0.000 0.434 117 R N 0.848 121.327 120.500 -0.034 0.000 2.483 117 R HA 0.365 5.165 4.340 0.768 0.000 0.303 117 R C 0.887 177.180 176.300 -0.013 0.000 0.987 117 R CA -0.305 55.774 56.100 -0.035 0.000 0.881 117 R CB 1.218 31.498 30.300 -0.033 0.000 1.177 117 R HN 0.090 nan 8.270 nan 0.000 0.451 118 M N 2.301 121.890 119.600 -0.017 0.000 2.192 118 M HA -0.221 4.720 4.480 0.768 0.000 0.256 118 M C 0.528 176.832 176.300 0.006 0.000 1.076 118 M CA 2.314 57.615 55.300 0.001 0.000 1.075 118 M CB -0.108 32.486 32.600 -0.010 0.000 1.368 118 M HN 0.640 nan 8.290 nan 0.000 0.406 119 D N -1.620 118.773 120.400 -0.012 0.000 2.339 119 D HA 0.042 5.143 4.640 0.768 0.000 0.217 119 D C -0.082 176.200 176.300 -0.029 0.000 1.050 119 D CA 0.189 54.175 54.000 -0.024 0.000 0.856 119 D CB -0.347 40.426 40.800 -0.045 0.000 0.922 119 D HN 0.180 nan 8.370 nan 0.000 0.518 120 T N 1.202 115.753 114.554 -0.006 0.000 2.779 120 T HA 0.444 5.255 4.350 0.768 0.000 0.280 120 T C -0.774 173.961 174.700 0.058 0.000 0.987 120 T CA -0.689 61.408 62.100 -0.005 0.000 0.966 120 T CB 1.895 70.748 68.868 -0.025 0.000 0.933 120 T HN 0.003 nan 8.240 nan 0.000 0.442 121 L N 3.677 124.956 121.223 0.093 0.000 2.296 121 L HA 0.655 5.456 4.340 0.768 0.000 0.286 121 L C -0.377 176.550 176.870 0.094 0.000 1.023 121 L CA -0.167 54.776 54.840 0.171 0.000 0.812 121 L CB 0.818 43.072 42.059 0.324 0.000 1.223 121 L HN 0.470 nan 8.230 nan 0.000 0.421 122 K N 4.712 125.169 120.400 0.095 0.000 2.578 122 K HA 0.570 5.351 4.320 0.768 0.000 0.250 122 K C -1.945 174.655 176.600 -0.000 0.000 0.955 122 K CA -0.593 55.704 56.287 0.017 0.000 0.825 122 K CB 1.750 34.234 32.500 -0.027 0.000 1.151 122 K HN 0.479 nan 8.250 nan 0.000 0.432 123 V N 2.932 122.843 119.914 -0.005 0.000 2.435 123 V HA 0.522 5.103 4.120 0.768 0.000 0.290 123 V C -0.375 175.595 176.094 -0.206 0.000 1.030 123 V CA -0.597 61.509 62.300 -0.322 0.000 0.881 123 V CB 1.301 32.686 31.823 -0.730 0.000 0.983 123 V HN 0.915 nan 8.190 nan 0.000 0.445 124 S N 3.090 118.626 115.700 -0.273 0.000 2.556 124 S HA 0.882 5.813 4.470 0.768 0.000 0.271 124 S C -0.667 173.826 174.600 -0.177 0.000 1.135 124 S CA -0.706 57.416 58.200 -0.130 0.000 0.858 124 S CB 1.788 64.927 63.200 -0.101 0.000 1.114 124 S HN 1.380 nan 8.310 nan 0.000 0.468 125 C N -0.128 119.096 119.300 -0.126 0.000 3.291 125 C HA 0.667 5.588 4.460 0.768 0.000 0.316 125 C C 1.201 176.159 174.990 -0.053 0.000 1.391 125 C CA -0.757 58.166 59.018 -0.159 0.000 1.394 125 C CB 0.445 27.885 27.740 -0.501 0.000 1.744 125 C HN 1.022 nan 8.230 nan 0.000 0.461 126 E N 1.112 121.320 120.200 0.014 0.000 2.106 126 E HA -0.102 4.709 4.350 0.768 0.000 0.192 126 E C -0.002 176.633 176.600 0.058 0.000 0.984 126 E CA 1.595 58.020 56.400 0.040 0.000 0.806 126 E CB 0.021 29.755 29.700 0.055 0.000 0.750 126 E HN 0.828 nan 8.360 nan 0.000 0.458 127 N N -1.078 117.676 118.700 0.090 0.000 2.272 127 N HA 0.418 5.619 4.740 0.768 0.000 0.305 127 N C -1.087 174.465 175.510 0.070 0.000 1.103 127 N CA -0.542 52.569 53.050 0.102 0.000 0.791 127 N CB 1.744 40.310 38.487 0.131 0.000 1.356 127 N HN -0.087 nan 8.380 nan 0.000 0.486 128 A N 0.714 123.592 122.820 0.097 0.000 3.168 128 A HA 0.212 4.992 4.320 0.768 0.000 0.260 128 A C -0.764 176.875 177.584 0.091 0.000 1.598 128 A CA -0.419 51.668 52.037 0.083 0.000 1.285 128 A CB -0.667 18.475 19.000 0.237 0.000 1.149 128 A HN 0.632 nan 8.150 nan 0.000 0.630 129 D N 1.774 122.233 120.400 0.098 0.000 2.404 129 D HA 0.491 5.592 4.640 0.768 0.000 0.267 129 D C -0.497 175.948 176.300 0.241 0.000 1.194 129 D CA 0.129 54.235 54.000 0.176 0.000 0.910 129 D CB 1.075 41.992 40.800 0.196 0.000 1.090 129 D HN 0.594 nan 8.370 nan 0.000 0.511 130 L N -1.773 119.537 121.223 0.145 0.000 2.775 130 L HA 0.641 5.441 4.340 0.768 0.000 0.263 130 L C -1.837 175.101 176.870 0.113 0.000 1.017 130 L CA -0.979 53.961 54.840 0.166 0.000 0.891 130 L CB 2.605 44.674 42.059 0.017 0.000 1.482 130 L HN -0.296 nan 8.230 nan 0.000 0.410 131 D N 1.775 122.243 120.400 0.114 0.000 2.256 131 D HA 0.649 5.750 4.640 0.768 0.000 0.246 131 D C -0.697 175.591 176.300 -0.020 0.000 1.042 131 D CA 0.110 54.124 54.000 0.023 0.000 0.841 131 D CB 2.778 43.542 40.800 -0.060 0.000 1.223 131 D HN 0.524 nan 8.370 nan 0.000 0.470 132 I N 2.427 122.981 120.570 -0.027 0.000 2.355 132 I HA 0.218 4.848 4.170 0.768 0.000 0.288 132 I C -0.563 175.544 176.117 -0.016 0.000 0.999 132 I CA -0.836 60.436 61.300 -0.046 0.000 1.163 132 I CB 0.618 38.613 38.000 -0.009 0.000 1.316 132 I HN 0.132 nan 8.210 nan 0.000 0.454 133 Y N 5.198 125.613 120.300 0.191 0.000 2.313 133 Y HA 0.434 5.447 4.550 0.771 0.000 0.332 133 Y C 0.196 176.219 175.900 0.204 0.000 1.071 133 Y CA -0.752 57.499 58.100 0.252 0.000 1.169 133 Y CB 1.338 40.009 38.460 0.351 0.000 1.192 133 Y HN 0.207 nan 8.280 nan 0.000 0.487 134 V N 5.629 125.734 119.914 0.318 0.000 2.384 134 V HA 0.416 4.997 4.120 0.768 0.000 0.287 134 V C -0.223 176.017 176.094 0.244 0.000 1.020 134 V CA -0.898 61.534 62.300 0.220 0.000 0.850 134 V CB 0.997 32.869 31.823 0.080 0.000 0.987 134 V HN 0.579 nan 8.190 nan 0.000 0.436 135 I N 4.576 125.305 120.570 0.266 0.000 2.404 135 I HA 0.552 5.183 4.170 0.768 0.000 0.293 135 I C 0.051 176.294 176.117 0.211 0.000 0.992 135 I CA -0.374 61.065 61.300 0.232 0.000 1.149 135 I CB 1.665 39.825 38.000 0.267 0.000 1.315 135 I HN 0.647 nan 8.210 nan 0.000 0.446 136 E N 4.294 124.591 120.200 0.162 0.000 2.299 136 E HA 0.861 5.671 4.350 0.768 0.000 0.265 136 E C -0.360 176.293 176.600 0.089 0.000 0.911 136 E CA -1.023 55.466 56.400 0.149 0.000 0.789 136 E CB 2.965 32.756 29.700 0.151 0.000 1.246 136 E HN 0.785 nan 8.360 nan 0.000 0.427 137 G N 0.426 109.268 108.800 0.070 0.000 2.340 137 G HA2 0.018 4.439 3.960 0.768 0.000 0.299 137 G HA3 0.018 4.439 3.960 0.768 0.000 0.299 137 G C 0.173 175.082 174.900 0.016 0.000 1.291 137 G CA -0.612 44.505 45.100 0.028 0.000 0.841 137 G HN 0.361 nan 8.290 nan 0.000 0.500 138 E N 0.045 120.241 120.200 -0.008 0.000 2.108 138 E HA -0.190 4.621 4.350 0.768 0.000 0.203 138 E C 0.963 177.558 176.600 -0.008 0.000 1.022 138 E CA 2.317 58.712 56.400 -0.008 0.000 0.823 138 E CB -0.269 29.414 29.700 -0.028 0.000 0.744 138 E HN 0.671 nan 8.360 nan 0.000 0.456 139 N N -3.666 115.012 118.700 -0.037 0.000 3.465 139 N HA 0.265 5.466 4.740 0.768 0.000 0.244 139 N C 0.145 175.574 175.510 -0.136 0.000 1.454 139 N CA 0.141 53.155 53.050 -0.060 0.000 0.865 139 N CB 0.255 38.708 38.487 -0.058 0.000 1.439 139 N HN -0.107 nan 8.380 nan 0.000 0.480 140 A N -0.755 121.937 122.820 -0.213 0.000 1.883 140 A HA -0.156 4.625 4.320 0.768 0.000 0.217 140 A C 1.743 178.992 177.584 -0.559 0.000 1.186 140 A CA 1.804 53.627 52.037 -0.357 0.000 0.624 140 A CB -1.339 17.413 19.000 -0.413 0.000 0.822 140 A HN 0.657 nan 8.150 nan 0.000 0.444 141 Y N 1.038 120.710 120.300 -1.047 0.000 2.114 141 Y HA -0.230 4.780 4.550 0.767 0.000 0.282 141 Y C 2.166 177.842 175.900 -0.374 0.000 1.165 141 Y CA 1.646 59.189 58.100 -0.928 0.000 1.148 141 Y CB -0.673 37.356 38.460 -0.719 0.000 0.972 141 Y HN 0.459 nan 8.280 nan 0.000 0.504 142 D N -0.174 120.066 120.400 -0.267 0.000 2.117 142 D HA -0.192 4.909 4.640 0.768 0.000 0.197 142 D C 2.334 178.567 176.300 -0.111 0.000 0.987 142 D CA 1.547 55.414 54.000 -0.222 0.000 0.829 142 D CB -0.082 40.631 40.800 -0.144 0.000 0.961 142 D HN 0.429 nan 8.370 nan 0.000 0.460 143 I N 0.321 120.851 120.570 -0.066 0.000 2.113 143 I HA -0.274 4.357 4.170 0.768 0.000 0.238 143 I C 2.615 178.829 176.117 0.162 0.000 1.070 143 I CA 0.582 61.912 61.300 0.050 0.000 1.332 143 I CB -0.215 37.813 38.000 0.046 0.000 1.044 143 I HN -0.117 nan 8.210 nan 0.000 0.402 144 V N 0.785 120.799 119.914 0.166 0.000 2.317 144 V HA -0.382 4.199 4.120 0.768 0.000 0.251 144 V C 2.431 178.627 176.094 0.170 0.000 1.065 144 V CA 1.996 64.487 62.300 0.319 0.000 1.049 144 V CB -0.778 31.243 31.823 0.330 0.000 0.651 144 V HN 0.400 nan 8.190 nan 0.000 0.450 145 K N -0.637 119.767 120.400 0.006 0.000 2.097 145 K HA -0.196 4.585 4.320 0.768 0.000 0.205 145 K C 2.282 178.839 176.600 -0.072 0.000 1.050 145 K CA 1.489 57.722 56.287 -0.090 0.000 0.938 145 K CB -0.167 32.176 32.500 -0.262 0.000 0.718 145 K HN 0.582 nan 8.250 nan 0.000 0.442 146 Q N -0.416 119.367 119.800 -0.028 0.000 2.119 146 Q HA -0.131 4.670 4.340 0.768 0.000 0.201 146 Q C 1.843 177.824 176.000 -0.031 0.000 0.972 146 Q CA 1.194 56.983 55.803 -0.023 0.000 0.847 146 Q CB -0.125 28.626 28.738 0.021 0.000 0.903 146 Q HN 0.212 nan 8.270 nan 0.000 0.433 147 F N 1.374 121.222 119.950 -0.170 0.000 2.146 147 F HA -0.117 4.873 4.527 0.772 0.000 0.298 147 F C 2.035 177.596 175.800 -0.397 0.000 1.096 147 F CA 1.175 58.958 58.000 -0.363 0.000 1.275 147 F CB 0.123 38.740 39.000 -0.639 0.000 1.008 147 F HN -0.120 nan 8.300 nan 0.000 0.480 148 R N 0.349 120.691 120.500 -0.263 0.000 2.152 148 R HA -0.144 4.657 4.340 0.768 0.000 0.232 148 R C 2.387 178.482 176.300 -0.343 0.000 1.117 148 R CA 1.084 56.980 56.100 -0.339 0.000 0.981 148 R CB -0.844 29.363 30.300 -0.156 0.000 0.870 148 R HN 0.357 nan 8.270 nan 0.000 0.451 149 R N 1.104 121.443 120.500 -0.268 0.000 2.153 149 R HA -0.059 4.741 4.340 0.768 0.000 0.218 149 R C 1.862 178.009 176.300 -0.256 0.000 1.072 149 R CA 1.293 57.262 56.100 -0.217 0.000 0.990 149 R CB 0.218 30.428 30.300 -0.149 0.000 0.889 149 R HN 0.172 nan 8.270 nan 0.000 0.452 150 V N -1.023 118.672 119.914 -0.365 0.000 3.307 150 V HA 0.059 4.640 4.120 0.768 0.000 0.253 150 V C 1.887 177.711 176.094 -0.449 0.000 1.149 150 V CA 0.629 62.715 62.300 -0.356 0.000 1.112 150 V CB -0.327 31.301 31.823 -0.325 0.000 0.777 150 V HN 0.329 nan 8.190 nan 0.000 0.464 151 I N -0.476 119.699 120.570 -0.659 0.000 3.684 151 I HA 0.663 5.294 4.170 0.768 0.000 0.304 151 I C 1.054 177.051 176.117 -0.200 0.000 1.278 151 I CA 0.501 61.440 61.300 -0.601 0.000 1.272 151 I CB -0.963 36.365 38.000 -1.120 0.000 1.029 151 I HN 0.430 nan 8.210 nan 0.000 0.458 152 G N 2.239 110.916 108.800 -0.204 0.000 2.860 152 G HA2 -0.294 4.127 3.960 0.768 0.000 0.553 152 G HA3 -0.294 4.127 3.960 0.768 0.000 0.553 152 G C -0.195 174.651 174.900 -0.089 0.000 1.439 152 G CA -0.111 44.911 45.100 -0.129 0.000 0.879 152 G HN 0.780 nan 8.290 nan 0.000 0.545 153 R N 0.213 120.631 120.500 -0.136 0.000 2.570 153 R HA 0.373 5.174 4.340 0.768 0.000 0.277 153 R C 0.697 176.899 176.300 -0.162 0.000 1.039 153 R CA 0.334 56.348 56.100 -0.143 0.000 1.065 153 R CB 0.025 30.243 30.300 -0.138 0.000 0.964 153 R HN 0.586 nan 8.270 nan 0.000 0.428 154 S N 3.356 118.988 115.700 -0.114 0.000 2.564 154 S HA -0.044 4.887 4.470 0.768 0.000 0.278 154 S C -0.555 174.012 174.600 -0.054 0.000 1.333 154 S CA -0.425 57.731 58.200 -0.074 0.000 1.048 154 S CB 0.300 63.452 63.200 -0.079 0.000 0.900 154 S HN 0.516 nan 8.310 nan 0.000 0.505 155 Y N 3.427 123.675 120.300 -0.087 0.000 2.805 155 Y HA 0.162 5.130 4.550 0.697 0.000 0.337 155 Y C -0.370 175.604 175.900 0.123 0.000 1.252 155 Y CA 0.118 58.227 58.100 0.016 0.000 1.515 155 Y CB 0.018 38.534 38.460 0.093 0.000 1.305 155 Y HN 0.462 nan 8.280 nan 0.000 0.600 156 I N 8.796 128.877 120.570 -0.814 0.000 2.447 156 I HA 0.337 4.968 4.170 0.768 0.000 0.287 156 I C -2.383 173.093 176.117 -1.068 0.000 1.023 156 I CA -2.270 58.601 61.300 -0.714 0.000 1.083 156 I CB 1.937 39.782 38.000 -0.259 0.000 1.245 156 I HN 0.502 nan 8.210 nan 0.000 0.434 157 P HA 0.332 nan 4.420 nan 0.000 0.276 157 P C -2.697 174.379 177.300 -0.372 0.000 1.244 157 P CA -1.800 60.926 63.100 -0.623 0.000 0.801 157 P CB 0.164 31.389 31.700 -0.792 0.000 1.006 158 P HA 0.072 nan 4.420 nan 0.000 0.271 158 P C 0.989 178.038 177.300 -0.418 0.000 1.244 158 P CA -0.109 62.761 63.100 -0.384 0.000 0.793 158 P CB 0.784 32.218 31.700 -0.444 0.000 0.984 159 K N 0.564 120.771 120.400 -0.322 0.000 2.097 159 K HA -0.136 4.645 4.320 0.768 0.000 0.206 159 K C 2.003 178.475 176.600 -0.213 0.000 1.049 159 K CA 1.426 57.471 56.287 -0.403 0.000 0.933 159 K CB -0.568 31.558 32.500 -0.623 0.000 0.717 159 K HN 0.484 nan 8.250 nan 0.000 0.442 160 F N 0.093 119.974 119.950 -0.115 0.000 2.250 160 F HA -0.071 4.913 4.527 0.763 0.000 0.301 160 F C 1.748 177.536 175.800 -0.019 0.000 1.077 160 F CA 0.817 58.775 58.000 -0.071 0.000 1.348 160 F CB -0.928 38.012 39.000 -0.099 0.000 1.040 160 F HN -0.110 nan 8.300 nan 0.000 0.509 161 A N -0.195 122.213 122.820 -0.687 0.000 2.178 161 A HA -0.045 4.736 4.320 0.768 0.000 0.218 161 A C 1.629 179.154 177.584 -0.098 0.000 1.157 161 A CA 0.875 52.687 52.037 -0.375 0.000 0.689 161 A CB -1.597 17.012 19.000 -0.651 0.000 0.787 161 A HN 0.509 nan 8.150 nan 0.000 0.465 162 F N -0.344 119.512 119.950 -0.157 0.000 2.732 162 F HA 0.245 5.227 4.527 0.760 0.000 0.303 162 F C 1.763 177.451 175.800 -0.186 0.000 1.110 162 F CA -0.033 57.897 58.000 -0.117 0.000 1.355 162 F CB 0.088 38.994 39.000 -0.156 0.000 1.081 162 F HN 0.270 nan 8.300 nan 0.000 0.565 163 G N -0.348 108.451 108.800 -0.001 0.000 2.531 163 G HA2 0.214 4.635 3.960 0.768 0.000 0.253 163 G HA3 0.214 4.635 3.960 0.768 0.000 0.253 163 G C -1.300 173.694 174.900 0.156 0.000 1.439 163 G CA -0.272 44.805 45.100 -0.039 0.000 1.056 163 G HN 0.028 nan 8.290 nan 0.000 0.555 164 F N -0.359 119.722 119.950 0.218 0.000 2.492 164 F HA 0.714 5.703 4.527 0.771 0.000 0.327 164 F C 0.286 176.170 175.800 0.140 0.000 1.079 164 F CA -0.597 57.518 58.000 0.192 0.000 0.967 164 F CB 1.945 41.120 39.000 0.291 0.000 1.169 164 F HN 0.633 nan 8.300 nan 0.000 0.472 165 G N 3.043 111.350 108.800 -0.821 0.000 2.574 165 G HA2 0.537 4.958 3.960 0.768 0.000 0.299 165 G HA3 0.537 4.958 3.960 0.768 0.000 0.299 165 G C -2.256 172.201 174.900 -0.739 0.000 1.298 165 G CA -0.780 44.047 45.100 -0.454 0.000 0.952 165 G HN 0.824 nan 8.290 nan 0.000 0.477 166 Q N -0.740 118.923 119.800 -0.228 0.000 2.345 166 Q HA 0.781 5.581 4.340 0.768 0.000 0.275 166 Q C -0.541 175.632 176.000 0.288 0.000 1.063 166 Q CA -0.088 55.685 55.803 -0.050 0.000 0.819 166 Q CB 1.820 30.526 28.738 -0.052 0.000 1.356 166 Q HN 1.166 nan 8.270 nan 0.000 0.418 167 S N 1.799 117.708 115.700 0.348 0.000 2.705 167 S HA 0.949 5.880 4.470 0.768 0.000 0.280 167 S C -1.213 173.358 174.600 -0.048 0.000 1.174 167 S CA -0.864 57.660 58.200 0.540 0.000 0.823 167 S CB 1.674 nan 63.200 nan 0.000 1.162 167 S HN 0.628 nan 8.310 nan 0.000 0.487 168 R N 0.150 120.454 120.500 -0.327 0.000 2.678 168 R HA 0.236 5.037 4.340 0.768 0.000 0.267 168 R C -2.096 173.986 176.300 -0.363 0.000 1.173 168 R CA -0.429 55.250 56.100 -0.702 0.000 1.061 168 R CB 0.645 30.312 30.300 -1.054 0.000 1.262 168 R HN 0.767 nan 8.270 nan 0.000 0.427 169 W N 4.507 125.604 121.300 -0.339 0.000 2.385 169 W HA 0.281 5.404 4.660 0.773 0.000 0.336 169 W C 0.954 177.352 176.519 -0.201 0.000 1.351 169 W CA 1.935 59.211 57.345 -0.115 0.000 1.295 169 W CB 0.302 29.731 29.460 -0.051 0.000 1.239 169 W HN 0.881 nan 8.180 nan 0.000 0.565 170 G N 4.298 113.161 108.800 0.105 0.000 2.316 170 G HA2 -0.261 4.160 3.960 0.768 0.000 0.203 170 G HA3 -0.261 4.160 3.960 0.768 0.000 0.203 170 G C -0.349 174.575 174.900 0.039 0.000 0.999 170 G CA -0.261 44.794 45.100 -0.075 0.000 0.649 170 G HN 0.381 nan 8.290 nan 0.000 0.489 171 Y N 2.018 122.341 120.300 0.038 0.000 2.465 171 Y HA 0.572 5.582 4.550 0.766 0.000 0.331 171 Y C 1.629 177.589 175.900 0.099 0.000 1.102 171 Y CA 0.859 58.876 58.100 -0.137 0.000 1.358 171 Y CB 1.264 39.390 38.460 -0.557 0.000 1.213 171 Y HN 0.092 nan 8.280 nan 0.000 0.525 172 T N -0.388 114.329 114.554 0.272 0.000 3.358 172 T HA 0.049 4.860 4.350 0.768 0.000 0.263 172 T C 0.497 175.359 174.700 0.271 0.000 0.998 172 T CA 0.542 62.825 62.100 0.305 0.000 1.130 172 T CB 0.102 69.048 68.868 0.130 0.000 1.165 172 T HN 0.603 nan 8.240 nan 0.000 0.426 173 T N 0.607 115.215 114.554 0.091 0.000 2.902 173 T HA 0.482 5.292 4.350 0.768 0.000 0.280 173 T C 0.895 175.584 174.700 -0.018 0.000 0.992 173 T CA -0.610 61.420 62.100 -0.117 0.000 1.015 173 T CB 1.644 70.442 68.868 -0.116 0.000 1.044 173 T HN -0.010 nan 8.240 nan 0.000 0.520 174 K N 0.205 120.410 120.400 -0.325 0.000 2.160 174 K HA -0.139 4.642 4.320 0.768 0.000 0.206 174 K C 2.242 178.885 176.600 0.072 0.000 1.047 174 K CA 1.545 57.699 56.287 -0.221 0.000 0.930 174 K CB -0.024 32.226 32.500 -0.416 0.000 0.720 174 K HN 0.575 nan 8.250 nan 0.000 0.450 175 E N 0.957 121.161 120.200 0.007 0.000 2.106 175 E HA -0.178 4.633 4.350 0.768 0.000 0.192 175 E C 1.527 178.132 176.600 0.008 0.000 0.984 175 E CA 1.074 57.489 56.400 0.025 0.000 0.806 175 E CB -0.297 29.398 29.700 -0.008 0.000 0.750 175 E HN 0.378 nan 8.360 nan 0.000 0.458 176 D N 0.272 120.643 120.400 -0.047 0.000 2.104 176 D HA -0.140 4.961 4.640 0.768 0.000 0.194 176 D C 1.960 177.980 176.300 -0.467 0.000 0.994 176 D CA 0.935 54.784 54.000 -0.252 0.000 0.830 176 D CB -0.395 40.231 40.800 -0.290 0.000 0.959 176 D HN 0.208 nan 8.370 nan 0.000 0.452 177 F N 1.260 121.147 119.950 -0.104 0.000 2.206 177 F HA 0.026 5.015 4.527 0.769 0.000 0.298 177 F C 2.609 178.440 175.800 0.051 0.000 1.090 177 F CA 0.574 58.557 58.000 -0.028 0.000 1.323 177 F CB -0.286 38.885 39.000 0.284 0.000 1.028 177 F HN -0.214 nan 8.300 nan 0.000 0.492 178 R N 0.380 121.060 120.500 0.300 0.000 2.091 178 R HA -0.180 4.620 4.340 0.768 0.000 0.238 178 R C 2.407 178.753 176.300 0.077 0.000 1.136 178 R CA 1.328 57.539 56.100 0.185 0.000 0.959 178 R CB -0.976 29.429 30.300 0.175 0.000 0.856 178 R HN 0.311 nan 8.270 nan 0.000 0.437 179 A N 0.519 123.353 122.820 0.024 0.000 2.024 179 A HA -0.107 4.673 4.320 0.768 0.000 0.220 179 A C 2.266 179.860 177.584 0.018 0.000 1.164 179 A CA 1.422 53.460 52.037 0.001 0.000 0.643 179 A CB -0.191 18.791 19.000 -0.030 0.000 0.806 179 A HN 0.136 nan 8.150 nan 0.000 0.451 180 V N -0.943 118.975 119.914 0.006 0.000 2.492 180 V HA -0.017 4.564 4.120 0.768 0.000 0.241 180 V C 2.943 179.139 176.094 0.170 0.000 1.041 180 V CA 1.204 63.564 62.300 0.100 0.000 1.057 180 V CB -1.200 30.626 31.823 0.005 0.000 0.711 180 V HN 0.538 nan 8.190 nan 0.000 0.468 181 A N 0.132 122.999 122.820 0.078 0.000 1.958 181 A HA -0.326 4.455 4.320 0.768 0.000 0.221 181 A C 2.327 179.948 177.584 0.061 0.000 1.178 181 A CA 2.550 54.615 52.037 0.048 0.000 0.642 181 A CB -0.510 18.491 19.000 0.002 0.000 0.816 181 A HN 0.487 nan 8.150 nan 0.000 0.453 182 K N -0.982 119.451 120.400 0.055 0.000 2.007 182 K HA -0.060 4.721 4.320 0.768 0.000 0.206 182 K C 2.206 178.826 176.600 0.033 0.000 1.047 182 K CA 1.188 57.493 56.287 0.030 0.000 0.937 182 K CB -0.650 31.865 32.500 0.025 0.000 0.718 182 K HN 0.376 nan 8.250 nan 0.000 0.438 183 G N 0.629 109.462 108.800 0.054 0.000 2.631 183 G HA2 -0.303 4.118 3.960 0.768 0.000 0.219 183 G HA3 -0.303 4.118 3.960 0.768 0.000 0.219 183 G C 1.373 176.253 174.900 -0.033 0.000 1.214 183 G CA 1.423 46.526 45.100 0.004 0.000 0.785 183 G HN 0.335 nan 8.290 nan 0.000 0.596 184 Y N 0.571 120.864 120.300 -0.012 0.000 2.133 184 Y HA 0.026 5.039 4.550 0.771 0.000 0.287 184 Y C 3.158 179.000 175.900 -0.096 0.000 1.134 184 Y CA 1.407 59.496 58.100 -0.019 0.000 1.133 184 Y CB -0.135 38.338 38.460 0.021 0.000 0.987 184 Y HN -0.040 nan 8.280 nan 0.000 0.502 185 R N 0.544 121.062 120.500 0.030 0.000 2.120 185 R HA -0.118 4.683 4.340 0.768 0.000 0.234 185 R C 1.727 177.798 176.300 -0.381 0.000 1.123 185 R CA 1.241 57.239 56.100 -0.171 0.000 0.975 185 R CB -0.494 29.733 30.300 -0.122 0.000 0.866 185 R HN 0.537 nan 8.270 nan 0.000 0.446 186 E N -0.347 119.747 120.200 -0.177 0.000 2.400 186 E HA 0.004 4.814 4.350 0.768 0.000 0.195 186 E C 0.670 177.298 176.600 0.047 0.000 1.012 186 E CA 0.247 56.585 56.400 -0.103 0.000 0.875 186 E CB 0.107 29.797 29.700 -0.017 0.000 0.859 186 E HN 0.359 nan 8.360 nan 0.000 0.498 187 N N -0.294 118.413 118.700 0.011 0.000 2.280 187 N HA 0.018 5.219 4.740 0.768 0.000 0.192 187 N C -0.703 174.891 175.510 0.140 0.000 1.109 187 N CA 0.054 53.150 53.050 0.076 0.000 0.855 187 N CB 0.308 38.783 38.487 -0.021 0.000 0.974 187 N HN 0.090 nan 8.380 nan 0.000 0.482 188 H N -0.958 118.106 119.070 -0.009 0.000 2.861 188 H HA -0.151 4.867 4.556 0.769 0.000 0.289 188 H C -0.573 174.744 175.328 -0.018 0.000 1.176 188 H CA 0.396 56.438 56.048 -0.010 0.000 1.146 188 H CB -2.008 27.743 29.762 -0.018 0.000 1.330 188 H HN 0.299 nan 8.280 nan 0.000 0.379 189 I N 1.289 121.885 120.570 0.044 0.000 2.533 189 I HA 0.110 4.741 4.170 0.768 0.000 0.284 189 I C -1.714 174.450 176.117 0.078 0.000 1.109 189 I CA -1.655 59.676 61.300 0.052 0.000 1.412 189 I CB 0.514 38.518 38.000 0.008 0.000 1.396 189 I HN -0.090 nan 8.210 nan 0.000 0.543 190 P HA 0.360 nan 4.420 nan 0.000 0.270 190 P C -0.465 176.788 177.300 -0.077 0.000 1.223 190 P CA -0.061 62.833 63.100 -0.343 0.000 0.785 190 P CB 0.977 32.093 31.700 -0.974 0.000 0.923 191 I N 0.118 120.672 120.570 -0.027 0.000 2.624 191 I HA 0.111 4.742 4.170 0.768 0.000 0.296 191 I C -1.099 175.109 176.117 0.151 0.000 1.792 191 I CA -0.213 61.208 61.300 0.201 0.000 0.970 191 I CB 1.995 39.995 38.000 -0.000 0.000 1.502 191 I HN 0.190 nan 8.210 nan 0.000 0.549 192 D N 4.683 125.181 120.400 0.165 0.000 2.473 192 D HA 0.384 5.485 4.640 0.768 0.000 0.242 192 D C -0.679 175.580 176.300 -0.069 0.000 1.106 192 D CA 0.429 54.471 54.000 0.070 0.000 0.854 192 D CB 0.614 41.522 40.800 0.180 0.000 1.192 192 D HN 0.321 nan 8.370 nan 0.000 0.503 193 M N 0.825 120.360 119.600 -0.108 0.000 2.501 193 M HA 0.489 5.430 4.480 0.768 0.000 0.293 193 M C -1.437 174.693 176.300 -0.283 0.000 1.192 193 M CA -0.498 54.656 55.300 -0.243 0.000 0.886 193 M CB 3.390 35.819 32.600 -0.285 0.000 1.710 193 M HN -0.272 nan 8.290 nan 0.000 0.457 194 I N 1.917 122.302 120.570 -0.309 0.000 2.499 194 I HA 0.387 5.018 4.170 0.768 0.000 0.288 194 I C -1.418 174.596 176.117 -0.172 0.000 1.048 194 I CA -0.738 60.494 61.300 -0.113 0.000 1.062 194 I CB 1.708 39.727 38.000 0.032 0.000 1.238 194 I HN 0.567 nan 8.210 nan 0.000 0.426 195 Y N 5.676 126.035 120.300 0.099 0.000 2.299 195 Y HA 0.437 5.446 4.550 0.765 0.000 0.326 195 Y C 0.292 176.458 175.900 0.443 0.000 1.164 195 Y CA -0.374 57.783 58.100 0.096 0.000 1.234 195 Y CB 1.110 39.441 38.460 -0.216 0.000 1.219 195 Y HN 0.356 nan 8.280 nan 0.000 0.497 196 M N 3.369 123.307 119.600 0.563 0.000 2.066 196 M HA 0.201 5.142 4.480 0.768 0.000 0.340 196 M C -0.630 176.129 176.300 0.766 0.000 1.053 196 M CA -0.484 55.192 55.300 0.626 0.000 0.983 196 M CB 0.773 33.400 32.600 0.045 0.000 1.520 196 M HN 0.635 nan 8.290 nan 0.000 0.428 197 D N 2.140 123.010 120.400 0.783 0.000 2.433 197 D HA 0.204 5.305 4.640 0.768 0.000 0.255 197 D C 1.352 177.906 176.300 0.423 0.000 1.226 197 D CA -0.196 54.131 54.000 0.545 0.000 1.015 197 D CB 0.974 42.070 40.800 0.494 0.000 1.091 197 D HN 0.709 nan 8.370 nan 0.000 0.527 198 I N -1.625 118.998 120.570 0.088 0.000 2.399 198 I HA -0.218 4.413 4.170 0.768 0.000 0.254 198 I C 1.212 177.361 176.117 0.054 0.000 1.146 198 I CA 1.218 62.520 61.300 0.005 0.000 1.412 198 I CB -0.219 37.679 38.000 -0.170 0.000 1.076 198 I HN 0.124 nan 8.210 nan 0.000 0.432 199 D N 1.170 121.706 120.400 0.228 0.000 2.354 199 D HA -0.194 4.907 4.640 0.768 0.000 0.216 199 D C 1.895 178.250 176.300 0.092 0.000 0.970 199 D CA 1.502 55.581 54.000 0.132 0.000 0.905 199 D CB -0.123 40.831 40.800 0.258 0.000 0.903 199 D HN 0.794 nan 8.370 nan 0.000 0.508 200 Y N -0.549 119.853 120.300 0.170 0.000 2.561 200 Y HA 0.168 5.178 4.550 0.766 0.000 0.291 200 Y C 1.147 177.067 175.900 0.033 0.000 1.141 200 Y CA -0.281 57.938 58.100 0.197 0.000 1.303 200 Y CB -0.422 38.145 38.460 0.179 0.000 1.015 200 Y HN -0.205 nan 8.280 nan 0.000 0.547 201 M N 0.721 119.912 119.600 -0.682 0.000 2.055 201 M HA 0.131 5.072 4.480 0.768 0.000 0.279 201 M C -0.134 175.963 176.300 -0.339 0.000 1.236 201 M CA -0.580 54.371 55.300 -0.582 0.000 1.074 201 M CB 0.284 32.507 32.600 -0.627 0.000 1.394 201 M HN -0.036 nan 8.290 nan 0.000 0.492 202 Q N 1.638 121.267 119.800 -0.286 0.000 2.406 202 Q HA 0.096 4.897 4.340 0.768 0.000 0.242 202 Q C -1.195 174.619 176.000 -0.311 0.000 1.036 202 Q CA 0.413 56.068 55.803 -0.247 0.000 0.904 202 Q CB -0.294 28.335 28.738 -0.181 0.000 1.244 202 Q HN 0.553 nan 8.270 nan 0.000 0.478 203 D N 4.677 124.854 120.400 -0.372 0.000 2.708 203 D HA -0.273 4.828 4.640 0.768 0.000 0.236 203 D C -0.635 175.532 176.300 -0.222 0.000 1.146 203 D CA 0.972 54.757 54.000 -0.359 0.000 0.662 203 D CB -1.210 39.493 40.800 -0.162 0.000 1.059 203 D HN 0.805 nan 8.370 nan 0.000 0.428 204 F N -2.554 117.302 119.950 -0.156 0.000 3.034 204 F HA -0.287 4.700 4.527 0.766 0.000 0.286 204 F C 0.993 176.668 175.800 -0.207 0.000 0.804 204 F CA 0.939 58.839 58.000 -0.166 0.000 1.161 204 F CB -2.021 36.956 39.000 -0.039 0.000 1.317 204 F HN 0.064 nan 8.300 nan 0.000 0.453 205 K N 1.453 121.731 120.400 -0.204 0.000 2.349 205 K HA 0.166 4.947 4.320 0.768 0.000 0.288 205 K C 0.182 176.667 176.600 -0.192 0.000 1.058 205 K CA -0.591 55.509 56.287 -0.312 0.000 0.953 205 K CB 0.352 32.358 32.500 -0.823 0.000 0.997 205 K HN -0.033 nan 8.250 nan 0.000 0.477 206 D N 2.435 122.799 120.400 -0.059 0.000 2.586 206 D HA -0.105 4.996 4.640 0.768 0.000 0.234 206 D C -0.031 176.144 176.300 -0.209 0.000 1.132 206 D CA 0.883 54.706 54.000 -0.295 0.000 0.860 206 D CB -0.050 40.526 40.800 -0.373 0.000 1.159 206 D HN 0.424 nan 8.370 nan 0.000 0.490 207 F N -1.112 118.775 119.950 -0.106 0.000 2.893 207 F HA -0.246 4.737 4.527 0.759 0.000 0.287 207 F C 0.741 176.264 175.800 -0.461 0.000 0.766 207 F CA 0.652 58.517 58.000 -0.224 0.000 1.362 207 F CB -2.536 36.220 39.000 -0.407 0.000 1.518 207 F HN 0.301 nan 8.300 nan 0.000 0.417 208 T N -2.005 112.502 114.554 -0.079 0.000 2.907 208 T HA 0.857 5.668 4.350 0.768 0.000 0.292 208 T C -0.218 174.520 174.700 0.063 0.000 1.043 208 T CA -0.318 61.738 62.100 -0.073 0.000 1.003 208 T CB 2.588 71.378 68.868 -0.130 0.000 1.084 208 T HN 0.867 nan 8.240 nan 0.000 0.483 209 V N 0.251 120.235 119.914 0.117 0.000 2.732 209 V HA 0.595 5.176 4.120 0.768 0.000 0.310 209 V C 0.297 176.412 176.094 0.034 0.000 1.053 209 V CA -1.250 61.051 62.300 0.001 0.000 0.957 209 V CB 1.591 33.213 31.823 -0.335 0.000 1.018 209 V HN 1.038 nan 8.190 nan 0.000 0.452 210 N N 2.308 121.062 118.700 0.090 0.000 2.427 210 N HA 0.016 5.217 4.740 0.768 0.000 0.269 210 N C 1.037 176.595 175.510 0.080 0.000 1.235 210 N CA 0.451 53.530 53.050 0.048 0.000 0.934 210 N CB 0.844 39.350 38.487 0.032 0.000 1.121 210 N HN 0.897 nan 8.380 nan 0.000 0.480 211 E N 3.422 123.644 120.200 0.036 0.000 2.085 211 E HA -0.240 4.571 4.350 0.768 0.000 0.194 211 E C 1.319 177.931 176.600 0.021 0.000 0.994 211 E CA 1.013 57.442 56.400 0.049 0.000 0.801 211 E CB 0.152 29.870 29.700 0.030 0.000 0.743 211 E HN 0.584 nan 8.360 nan 0.000 0.453 212 K N 0.576 120.962 120.400 -0.023 0.000 2.116 212 K HA -0.058 4.723 4.320 0.768 0.000 0.203 212 K C 1.673 178.200 176.600 -0.123 0.000 1.052 212 K CA 0.802 57.055 56.287 -0.055 0.000 0.952 212 K CB 0.150 32.616 32.500 -0.058 0.000 0.729 212 K HN 0.033 nan 8.250 nan 0.000 0.446 213 N N -0.040 118.541 118.700 -0.198 0.000 2.354 213 N HA -0.075 5.126 4.740 0.768 0.000 0.179 213 N C -0.185 174.888 175.510 -0.728 0.000 1.021 213 N CA 0.830 53.602 53.050 -0.462 0.000 0.887 213 N CB 0.169 38.326 38.487 -0.551 0.000 0.974 213 N HN 0.030 nan 8.380 nan 0.000 0.437 214 F N 0.942 120.870 119.950 -0.036 0.000 2.550 214 F HA 0.364 5.354 4.527 0.773 0.000 0.348 214 F C -1.622 174.204 175.800 0.044 0.000 1.219 214 F CA -2.077 55.922 58.000 -0.002 0.000 1.203 214 F CB 1.703 40.724 39.000 0.035 0.000 1.436 214 F HN -0.118 nan 8.300 nan 0.000 0.541 215 P HA -0.046 nan 4.420 nan 0.000 0.224 215 P C 0.061 177.451 177.300 0.151 0.000 1.157 215 P CA 1.020 64.192 63.100 0.121 0.000 0.799 215 P CB 0.666 32.401 31.700 0.060 0.000 0.809 216 D N -1.297 119.217 120.400 0.190 0.000 2.443 216 D HA 0.151 5.252 4.640 0.768 0.000 0.281 216 D C 0.551 177.003 176.300 0.253 0.000 1.210 216 D CA -0.760 53.351 54.000 0.184 0.000 0.875 216 D CB -0.218 40.653 40.800 0.118 0.000 1.125 216 D HN -0.317 nan 8.370 nan 0.000 0.503 217 F N 3.133 123.145 119.950 0.103 0.000 2.043 217 F HA -0.069 4.916 4.527 0.763 0.000 0.297 217 F C -0.967 174.850 175.800 0.028 0.000 1.118 217 F CA 1.255 59.292 58.000 0.063 0.000 1.202 217 F CB -1.085 37.888 39.000 -0.045 0.000 0.965 217 F HN 0.314 nan 8.300 nan 0.000 0.482 218 P HA -0.224 nan 4.420 nan 0.000 0.215 218 P C 1.583 178.796 177.300 -0.145 0.000 1.163 218 P CA 2.353 65.367 63.100 -0.144 0.000 0.894 218 P CB -0.172 31.493 31.700 -0.058 0.000 0.791 219 E N -1.970 118.204 120.200 -0.043 0.000 2.130 219 E HA -0.222 4.589 4.350 0.768 0.000 0.196 219 E C 1.833 178.414 176.600 -0.033 0.000 0.998 219 E CA 0.959 57.343 56.400 -0.026 0.000 0.806 219 E CB -0.539 29.180 29.700 0.030 0.000 0.738 219 E HN 0.199 nan 8.360 nan 0.000 0.459 220 F N 0.514 120.379 119.950 -0.143 0.000 2.206 220 F HA -0.144 4.843 4.527 0.767 0.000 0.298 220 F C 2.039 177.634 175.800 -0.342 0.000 1.090 220 F CA 0.763 58.662 58.000 -0.168 0.000 1.323 220 F CB -0.159 38.818 39.000 -0.039 0.000 1.028 220 F HN -0.203 nan 8.300 nan 0.000 0.492 221 V N 1.047 120.589 119.914 -0.619 0.000 2.343 221 V HA -0.308 4.273 4.120 0.768 0.000 0.247 221 V C 2.583 178.352 176.094 -0.542 0.000 1.051 221 V CA 2.266 64.122 62.300 -0.740 0.000 1.036 221 V CB -0.719 30.643 31.823 -0.768 0.000 0.654 221 V HN 0.319 nan 8.190 nan 0.000 0.451 222 K N 0.180 120.346 120.400 -0.390 0.000 2.097 222 K HA -0.231 4.550 4.320 0.768 0.000 0.205 222 K C 2.196 178.618 176.600 -0.296 0.000 1.050 222 K CA 1.789 57.902 56.287 -0.290 0.000 0.938 222 K CB -0.093 32.287 32.500 -0.198 0.000 0.718 222 K HN 0.618 nan 8.250 nan 0.000 0.442 223 E N 0.217 120.220 120.200 -0.327 0.000 2.070 223 E HA -0.230 4.581 4.350 0.768 0.000 0.197 223 E C 1.994 178.377 176.600 -0.362 0.000 1.004 223 E CA 1.527 57.746 56.400 -0.302 0.000 0.805 223 E CB 0.031 29.556 29.700 -0.292 0.000 0.744 223 E HN 0.232 nan 8.360 nan 0.000 0.451 224 M N 0.483 119.757 119.600 -0.543 0.000 2.132 224 M HA -0.102 4.839 4.480 0.768 0.000 0.263 224 M C 2.355 178.442 176.300 -0.356 0.000 1.065 224 M CA 1.356 56.367 55.300 -0.482 0.000 1.122 224 M CB -0.753 31.464 32.600 -0.639 0.000 1.365 224 M HN 0.068 nan 8.290 nan 0.000 0.411 225 K N 0.382 120.565 120.400 -0.362 0.000 2.209 225 K HA -0.183 4.598 4.320 0.768 0.000 0.204 225 K C 1.003 177.465 176.600 -0.230 0.000 1.048 225 K CA 1.274 57.379 56.287 -0.304 0.000 0.940 225 K CB 0.056 32.373 32.500 -0.305 0.000 0.729 225 K HN 0.189 nan 8.250 nan 0.000 0.451 226 D N 0.669 120.943 120.400 -0.209 0.000 2.350 226 D HA -0.099 5.002 4.640 0.768 0.000 0.216 226 D C 0.627 176.845 176.300 -0.136 0.000 0.968 226 D CA 0.971 54.878 54.000 -0.155 0.000 0.894 226 D CB 0.215 40.933 40.800 -0.136 0.000 0.909 226 D HN 0.388 nan 8.370 nan 0.000 0.520 227 Q N 0.218 119.926 119.800 -0.155 0.000 2.175 227 Q HA 0.106 4.907 4.340 0.768 0.000 0.225 227 Q C -0.473 175.449 176.000 -0.130 0.000 0.837 227 Q CA -0.226 55.501 55.803 -0.127 0.000 1.032 227 Q CB 0.942 29.608 28.738 -0.121 0.000 1.137 227 Q HN -0.034 nan 8.270 nan 0.000 0.483 228 E N 0.679 120.789 120.200 -0.150 0.000 2.297 228 E HA -0.207 4.604 4.350 0.768 0.000 0.228 228 E C -1.040 175.454 176.600 -0.176 0.000 1.213 228 E CA 0.781 57.087 56.400 -0.157 0.000 0.712 228 E CB -1.475 28.166 29.700 -0.098 0.000 1.202 228 E HN 0.447 nan 8.360 nan 0.000 0.376 229 L N 0.671 121.759 121.223 -0.225 0.000 2.319 229 L HA 0.434 5.235 4.340 0.768 0.000 0.281 229 L C 0.656 177.323 176.870 -0.339 0.000 1.005 229 L CA -0.509 54.182 54.840 -0.248 0.000 0.828 229 L CB 1.499 43.428 42.059 -0.217 0.000 1.227 229 L HN -0.158 nan 8.230 nan 0.000 0.415 230 R N 3.466 123.736 120.500 -0.382 0.000 2.207 230 R HA 0.488 5.289 4.340 0.768 0.000 0.334 230 R C -0.790 175.262 176.300 -0.412 0.000 1.013 230 R CA -0.489 55.330 56.100 -0.468 0.000 0.858 230 R CB 0.992 30.882 30.300 -0.684 0.000 1.094 230 R HN 0.517 nan 8.270 nan 0.000 0.457 231 L N 4.876 125.849 121.223 -0.416 0.000 2.418 231 L HA 0.171 4.972 4.340 0.768 0.000 0.274 231 L C -0.172 176.472 176.870 -0.376 0.000 1.135 231 L CA 0.034 54.646 54.840 -0.379 0.000 0.870 231 L CB 0.514 42.316 42.059 -0.428 0.000 1.154 231 L HN 0.453 nan 8.230 nan 0.000 0.462 232 I N 6.156 126.512 120.570 -0.357 0.000 2.428 232 I HA 0.323 4.954 4.170 0.768 0.000 0.279 232 I C -2.173 173.941 176.117 -0.005 0.000 1.040 232 I CA -2.492 58.617 61.300 -0.317 0.000 1.171 232 I CB 0.771 38.420 38.000 -0.585 0.000 1.312 232 I HN 0.288 nan 8.210 nan 0.000 0.470 233 P HA 0.374 nan 4.420 nan 0.000 0.281 233 P C -0.200 177.299 177.300 0.332 0.000 1.249 233 P CA -0.544 62.580 63.100 0.041 0.000 0.810 233 P CB 2.129 33.642 31.700 -0.312 0.000 1.008 234 I N 2.013 122.714 120.570 0.218 0.000 2.499 234 I HA 0.333 4.964 4.170 0.768 0.000 0.296 234 I C -0.502 175.587 176.117 -0.047 0.000 0.992 234 I CA -0.790 60.277 61.300 -0.389 0.000 1.297 234 I CB 0.430 37.930 38.000 -0.834 0.000 1.410 234 I HN 0.108 nan 8.210 nan 0.000 0.507 235 I N 5.844 126.357 120.570 -0.095 0.000 2.498 235 I HA 0.390 5.020 4.170 0.768 0.000 0.290 235 I C -0.967 175.139 176.117 -0.018 0.000 1.032 235 I CA -0.569 60.686 61.300 -0.075 0.000 1.073 235 I CB 1.693 39.654 38.000 -0.066 0.000 1.251 235 I HN 0.492 nan 8.210 nan 0.000 0.426 236 D N 3.440 123.839 120.400 -0.001 0.000 2.228 236 D HA 0.453 5.554 4.640 0.768 0.000 0.247 236 D C 0.887 177.286 176.300 0.164 0.000 0.995 236 D CA -0.420 53.631 54.000 0.084 0.000 0.903 236 D CB 2.341 43.202 40.800 0.102 0.000 1.205 236 D HN 0.585 nan 8.370 nan 0.000 0.459 237 A N 1.673 124.587 122.820 0.155 0.000 1.940 237 A HA 0.024 4.805 4.320 0.768 0.000 0.219 237 A C 1.297 179.065 177.584 0.305 0.000 1.176 237 A CA 1.520 53.664 52.037 0.179 0.000 0.631 237 A CB -0.702 18.337 19.000 0.064 0.000 0.814 237 A HN 0.511 nan 8.150 nan 0.000 0.446 238 G N -0.525 108.447 108.800 0.286 0.000 2.355 238 G HA2 0.462 4.883 3.960 0.768 0.000 0.276 238 G HA3 0.462 4.883 3.960 0.768 0.000 0.276 238 G C -0.556 174.456 174.900 0.187 0.000 1.198 238 G CA -0.240 45.015 45.100 0.258 0.000 0.876 238 G HN 0.197 nan 8.290 nan 0.000 0.478 239 V N 3.572 123.598 119.914 0.187 0.000 2.383 239 V HA 0.215 4.796 4.120 0.768 0.000 0.275 239 V C 0.822 176.979 176.094 0.104 0.000 1.036 239 V CA -0.924 61.536 62.300 0.266 0.000 0.889 239 V CB 1.198 33.291 31.823 0.450 0.000 0.985 239 V HN 0.844 nan 8.190 nan 0.000 0.459 240 K N 3.381 123.886 120.400 0.176 0.000 2.527 240 K HA 0.087 4.868 4.320 0.768 0.000 0.278 240 K C -0.446 176.107 176.600 -0.078 0.000 0.981 240 K CA -0.116 56.171 56.287 0.000 0.000 1.009 240 K CB 0.605 33.078 32.500 -0.045 0.000 0.895 240 K HN 0.492 nan 8.250 nan 0.000 0.493 241 V N 5.078 124.778 119.914 -0.357 0.000 2.356 241 V HA 0.142 4.723 4.120 0.768 0.000 0.258 241 V C -0.084 175.658 176.094 -0.587 0.000 1.065 241 V CA 0.118 62.007 62.300 -0.685 0.000 0.935 241 V CB 0.260 31.697 31.823 -0.643 0.000 1.061 241 V HN 0.765 nan 8.190 nan 0.000 0.484 242 E N 3.460 123.262 120.200 -0.663 0.000 2.278 242 E HA 0.381 5.192 4.350 0.768 0.000 0.272 242 E C -0.812 175.671 176.600 -0.196 0.000 0.890 242 E CA -1.038 55.185 56.400 -0.294 0.000 0.770 242 E CB 1.743 31.383 29.700 -0.100 0.000 1.212 242 E HN 0.472 nan 8.360 nan 0.000 0.415 243 K N 1.409 121.758 120.400 -0.085 0.000 2.436 243 K HA 0.241 5.022 4.320 0.768 0.000 0.282 243 K C 0.786 177.466 176.600 0.134 0.000 1.044 243 K CA 1.690 58.030 56.287 0.089 0.000 1.028 243 K CB 0.462 33.002 32.500 0.067 0.000 0.919 243 K HN 0.742 nan 8.250 nan 0.000 0.474 244 G N 2.959 111.882 108.800 0.206 0.000 2.195 244 G HA2 -0.298 4.123 3.960 0.768 0.000 0.246 244 G HA3 -0.298 4.123 3.960 0.768 0.000 0.246 244 G C -0.579 174.467 174.900 0.245 0.000 0.984 244 G CA 0.144 45.351 45.100 0.178 0.000 0.633 244 G HN 0.597 nan 8.290 nan 0.000 0.525 245 Y N 2.545 122.925 120.300 0.133 0.000 2.537 245 Y HA 0.482 5.492 4.550 0.767 0.000 0.339 245 Y C 1.314 177.352 175.900 0.231 0.000 1.066 245 Y CA -0.014 58.173 58.100 0.144 0.000 1.357 245 Y CB 0.595 39.125 38.460 0.116 0.000 1.175 245 Y HN 0.397 nan 8.280 nan 0.000 0.525 246 E N 3.211 123.493 120.200 0.137 0.000 2.110 246 E HA -0.134 4.677 4.350 0.768 0.000 0.193 246 E C 1.570 178.132 176.600 -0.062 0.000 0.988 246 E CA 1.442 57.862 56.400 0.033 0.000 0.804 246 E CB 0.277 30.007 29.700 0.049 0.000 0.745 246 E HN 0.690 nan 8.360 nan 0.000 0.458 247 V N 0.660 120.356 119.914 -0.362 0.000 2.237 247 V HA -0.284 4.297 4.120 0.768 0.000 0.245 247 V C 2.105 178.310 176.094 0.185 0.000 1.046 247 V CA 2.144 64.370 62.300 -0.123 0.000 1.007 247 V CB -0.889 30.751 31.823 -0.305 0.000 0.638 247 V HN 0.412 nan 8.190 nan 0.000 0.445 248 Y N 1.580 121.776 120.300 -0.175 0.000 2.030 248 Y HA -0.330 4.681 4.550 0.767 0.000 0.272 248 Y C 2.650 178.699 175.900 0.248 0.000 1.185 248 Y CA 2.382 60.623 58.100 0.235 0.000 1.120 248 Y CB -0.362 38.179 38.460 0.136 0.000 0.955 248 Y HN 0.278 nan 8.280 nan 0.000 0.495 249 E N 0.397 120.598 120.200 0.002 0.000 2.085 249 E HA -0.221 4.590 4.350 0.768 0.000 0.194 249 E C 2.089 178.596 176.600 -0.155 0.000 0.994 249 E CA 1.861 58.199 56.400 -0.102 0.000 0.801 249 E CB -0.401 29.335 29.700 0.059 0.000 0.743 249 E HN 0.722 nan 8.360 nan 0.000 0.453 250 E N 0.049 120.214 120.200 -0.058 0.000 2.150 250 E HA -0.083 4.728 4.350 0.768 0.000 0.193 250 E C 2.140 178.437 176.600 -0.506 0.000 0.985 250 E CA 0.887 57.199 56.400 -0.146 0.000 0.814 250 E CB -0.270 29.526 29.700 0.160 0.000 0.752 250 E HN 0.313 nan 8.360 nan 0.000 0.466 251 G N 0.835 109.343 108.800 -0.486 0.000 2.421 251 G HA2 -0.247 4.174 3.960 0.768 0.000 0.216 251 G HA3 -0.247 4.174 3.960 0.768 0.000 0.216 251 G C 1.731 176.131 174.900 -0.834 0.000 1.171 251 G CA 0.764 45.162 45.100 -1.171 0.000 0.775 251 G HN 0.128 nan 8.290 nan 0.000 0.543 252 V N 0.593 120.259 119.914 -0.414 0.000 2.270 252 V HA -0.109 4.472 4.120 0.768 0.000 0.245 252 V C 2.744 178.630 176.094 -0.345 0.000 1.043 252 V CA 2.062 64.184 62.300 -0.297 0.000 1.014 252 V CB -0.348 31.264 31.823 -0.351 0.000 0.645 252 V HN 0.292 nan 8.190 nan 0.000 0.447 253 K N 0.217 120.400 120.400 -0.362 0.000 2.057 253 K HA -0.154 4.627 4.320 0.768 0.000 0.207 253 K C 1.540 177.879 176.600 -0.436 0.000 1.049 253 K CA 1.550 57.644 56.287 -0.321 0.000 0.931 253 K CB -0.191 32.158 32.500 -0.251 0.000 0.714 253 K HN 0.487 nan 8.250 nan 0.000 0.440 254 N N 1.159 119.429 118.700 -0.716 0.000 2.270 254 N HA -0.019 5.182 4.740 0.768 0.000 0.198 254 N C -0.603 174.273 175.510 -1.058 0.000 1.117 254 N CA 0.048 52.498 53.050 -0.999 0.000 0.845 254 N CB 0.326 37.866 38.487 -1.578 0.000 0.980 254 N HN 0.141 nan 8.380 nan 0.000 0.486 255 N N 0.525 118.798 118.700 -0.713 0.000 2.756 255 N HA -0.194 5.007 4.740 0.768 0.000 0.248 255 N C -0.401 174.912 175.510 -0.328 0.000 1.062 255 N CA 0.500 53.297 53.050 -0.422 0.000 0.696 255 N CB -1.447 36.884 38.487 -0.260 0.000 0.946 255 N HN 0.385 nan 8.380 nan 0.000 0.548 256 Y N -1.257 118.736 120.300 -0.511 0.000 2.507 256 Y HA 0.300 5.316 4.550 0.776 0.000 0.263 256 Y C 1.019 176.731 175.900 -0.313 0.000 1.093 256 Y CA -0.156 57.613 58.100 -0.551 0.000 1.285 256 Y CB 0.234 38.011 38.460 -1.137 0.000 1.115 256 Y HN 0.063 nan 8.280 nan 0.000 0.533 257 F N -0.785 119.217 119.950 0.087 0.000 2.370 257 F HA 0.305 5.292 4.527 0.767 0.000 0.319 257 F C 0.904 176.775 175.800 0.118 0.000 1.129 257 F CA -1.720 56.361 58.000 0.136 0.000 1.109 257 F CB 0.048 39.078 39.000 0.050 0.000 1.262 257 F HN -0.274 nan 8.300 nan 0.000 0.534 258 C N 2.002 121.546 119.300 0.406 0.000 2.679 258 C HA 0.240 5.161 4.460 0.768 0.000 0.417 258 C C 0.376 175.514 174.990 0.247 0.000 1.302 258 C CA -0.824 58.366 59.018 0.287 0.000 1.973 258 C CB -0.631 27.289 27.740 0.300 0.000 2.715 258 C HN 0.547 nan 8.230 nan 0.000 0.628 259 K N 1.837 122.387 120.400 0.250 0.000 2.267 259 K HA 0.471 5.252 4.320 0.768 0.000 0.246 259 K C -0.229 176.569 176.600 0.330 0.000 0.954 259 K CA -0.637 55.783 56.287 0.223 0.000 0.824 259 K CB 1.544 34.120 32.500 0.127 0.000 1.167 259 K HN 0.617 nan 8.250 nan 0.000 0.431 260 R N 1.065 121.740 120.500 0.291 0.000 2.774 260 R HA -0.015 4.786 4.340 0.768 0.000 0.269 260 R C 1.280 177.724 176.300 0.239 0.000 1.068 260 R CA 0.009 56.299 56.100 0.316 0.000 1.180 260 R CB 0.385 30.838 30.300 0.255 0.000 1.077 260 R HN 0.759 nan 8.270 nan 0.000 0.513 261 E N 0.996 121.354 120.200 0.263 0.000 2.130 261 E HA -0.245 4.566 4.350 0.768 0.000 0.196 261 E C 1.211 177.796 176.600 -0.025 0.000 0.998 261 E CA 1.860 58.280 56.400 0.034 0.000 0.806 261 E CB 0.046 29.824 29.700 0.130 0.000 0.738 261 E HN 0.584 nan 8.360 nan 0.000 0.459 262 D N -1.576 118.850 120.400 0.042 0.000 2.348 262 D HA -0.065 5.036 4.640 0.768 0.000 0.216 262 D C 1.316 177.620 176.300 0.006 0.000 0.970 262 D CA 1.195 55.207 54.000 0.021 0.000 0.889 262 D CB 0.310 41.135 40.800 0.041 0.000 0.912 262 D HN 0.337 nan 8.370 nan 0.000 0.524 263 G N -0.201 108.606 108.800 0.012 0.000 2.231 263 G HA2 -0.225 4.196 3.960 0.768 0.000 0.206 263 G HA3 -0.225 4.196 3.960 0.768 0.000 0.206 263 G C 0.361 175.272 174.900 0.018 0.000 0.996 263 G CA 0.275 45.376 45.100 0.002 0.000 0.645 263 G HN 0.769 nan 8.290 nan 0.000 0.498 264 S N 0.478 116.203 115.700 0.041 0.000 2.632 264 S HA 0.566 5.497 4.470 0.768 0.000 0.267 264 S C -0.427 174.191 174.600 0.030 0.000 1.276 264 S CA -0.427 57.792 58.200 0.033 0.000 0.998 264 S CB 1.752 64.980 63.200 0.047 0.000 0.953 264 S HN 0.131 nan 8.310 nan 0.000 0.547 265 D N 1.353 121.719 120.400 -0.056 0.000 2.343 265 D HA 0.226 5.327 4.640 0.768 0.000 0.255 265 D C -0.341 175.867 176.300 -0.153 0.000 1.187 265 D CA -0.081 53.791 54.000 -0.214 0.000 0.875 265 D CB 0.231 40.635 40.800 -0.660 0.000 1.136 265 D HN 0.513 nan 8.370 nan 0.000 0.469 266 F N 3.089 122.946 119.950 -0.155 0.000 2.572 266 F HA 0.095 5.082 4.527 0.767 0.000 0.370 266 F C -0.345 175.379 175.800 -0.128 0.000 1.103 266 F CA -0.065 57.867 58.000 -0.114 0.000 1.286 266 F CB 0.563 39.497 39.000 -0.111 0.000 1.105 266 F HN 0.014 nan 8.300 nan 0.000 0.583 267 V N 5.462 124.736 119.914 -1.066 0.000 2.459 267 V HA 0.801 5.382 4.120 0.768 0.000 0.295 267 V C -0.390 174.903 176.094 -1.336 0.000 1.029 267 V CA -0.482 61.287 62.300 -0.884 0.000 0.874 267 V CB 1.126 32.665 31.823 -0.472 0.000 0.985 267 V HN 1.042 nan 8.190 nan 0.000 0.438 268 A N 3.709 125.892 122.820 -1.062 0.000 2.437 268 A HA 0.874 5.655 4.320 0.768 0.000 0.293 268 A C -0.317 176.783 177.584 -0.807 0.000 1.038 268 A CA -0.277 51.201 52.037 -0.932 0.000 0.708 268 A CB 1.495 19.888 19.000 -1.011 0.000 1.251 268 A HN 1.328 nan 8.150 nan 0.000 0.409 269 A N 2.170 124.471 122.820 -0.864 0.000 2.362 269 A HA 0.661 5.442 4.320 0.768 0.000 0.276 269 A C 0.276 177.273 177.584 -0.979 0.000 1.153 269 A CA -0.079 51.417 52.037 -0.902 0.000 0.813 269 A CB -0.059 18.062 19.000 -1.465 0.000 1.081 269 A HN 1.456 nan 8.150 nan 0.000 0.507 270 V N 0.889 120.270 119.914 -0.888 0.000 4.665 270 V HA 0.308 4.888 4.120 0.768 0.000 0.293 270 V C 1.012 176.656 176.094 -0.751 0.000 1.444 270 V CA -0.619 60.854 62.300 -1.378 0.000 0.868 270 V CB -0.470 30.787 31.823 -0.944 0.000 1.311 270 V HN 1.068 nan 8.190 nan 0.000 0.455 271 W N 0.147 121.216 121.300 -0.385 0.000 2.358 271 W HA 0.025 5.144 4.660 0.765 0.000 0.303 271 W C -0.590 175.655 176.519 -0.457 0.000 1.208 271 W CA 1.397 58.517 57.345 -0.374 0.000 1.274 271 W CB -1.797 27.263 29.460 -0.667 0.000 1.138 271 W HN 0.462 nan 8.180 nan 0.000 0.515 272 P HA 0.131 nan 4.420 nan 0.000 0.242 272 P C 0.914 178.205 177.300 -0.015 0.000 1.197 272 P CA 1.834 64.964 63.100 0.050 0.000 0.765 272 P CB 0.050 31.776 31.700 0.042 0.000 0.936 273 G N -0.163 108.582 108.800 -0.091 0.000 2.662 273 G HA2 -0.180 4.241 3.960 0.768 0.000 0.236 273 G HA3 -0.180 4.241 3.960 0.768 0.000 0.236 273 G C -1.143 173.605 174.900 -0.252 0.000 1.212 273 G CA -0.407 44.625 45.100 -0.113 0.000 0.968 273 G HN 0.123 nan 8.290 nan 0.000 0.576 274 D N 2.486 122.736 120.400 -0.251 0.000 2.317 274 D HA 0.547 5.648 4.640 0.768 0.000 0.252 274 D C 1.006 177.039 176.300 -0.445 0.000 1.174 274 D CA 1.033 54.814 54.000 -0.364 0.000 0.866 274 D CB 1.178 41.791 40.800 -0.311 0.000 1.127 274 D HN 0.780 nan 8.370 nan 0.000 0.467 275 T N -0.192 114.034 114.554 -0.547 0.000 2.883 275 T HA 0.526 5.337 4.350 0.768 0.000 0.284 275 T C -0.335 173.926 174.700 -0.732 0.000 1.041 275 T CA -0.796 60.968 62.100 -0.560 0.000 1.007 275 T CB 1.774 70.407 68.868 -0.391 0.000 1.220 275 T HN 0.236 nan 8.240 nan 0.000 0.552 276 H N -0.481 118.226 119.070 -0.605 0.000 2.622 276 H HA 0.563 5.579 4.556 0.767 0.000 0.363 276 H C -1.112 173.923 175.328 -0.488 0.000 1.151 276 H CA -1.295 54.305 56.048 -0.747 0.000 1.184 276 H CB 1.093 30.115 29.762 -1.232 0.000 1.643 276 H HN 0.478 nan 8.280 nan 0.000 0.531 277 F N 3.331 123.268 119.950 -0.021 0.000 2.411 277 F HA 0.266 5.255 4.527 0.770 0.000 0.350 277 F C -1.812 174.275 175.800 0.478 0.000 1.114 277 F CA -3.081 55.019 58.000 0.167 0.000 1.135 277 F CB 0.575 39.609 39.000 0.056 0.000 1.120 277 F HN 0.202 nan 8.300 nan 0.000 0.495 278 P HA -0.064 nan 4.420 nan 0.000 0.266 278 P C -0.236 177.304 177.300 0.400 0.000 1.195 278 P CA -0.052 63.423 63.100 0.625 0.000 0.768 278 P CB 0.679 32.539 31.700 0.266 0.000 0.838 279 D N 4.034 124.644 120.400 0.350 0.000 2.435 279 D HA 0.040 5.141 4.640 0.768 0.000 0.230 279 D C 1.124 177.526 176.300 0.169 0.000 1.215 279 D CA -0.108 54.110 54.000 0.362 0.000 0.947 279 D CB 0.246 41.245 40.800 0.332 0.000 1.048 279 D HN 0.082 nan 8.370 nan 0.000 0.512 280 M N 3.053 122.649 119.600 -0.006 0.000 2.549 280 M HA -0.067 4.874 4.480 0.768 0.000 0.260 280 M C 1.474 177.643 176.300 -0.219 0.000 1.076 280 M CA 0.621 55.750 55.300 -0.285 0.000 1.090 280 M CB -0.178 31.997 32.600 -0.708 0.000 1.418 280 M HN 0.484 nan 8.290 nan 0.000 0.486 281 L N -0.692 120.458 121.223 -0.123 0.000 2.554 281 L HA 0.099 4.899 4.340 0.768 0.000 0.225 281 L C 1.119 177.987 176.870 -0.003 0.000 1.104 281 L CA 0.021 54.783 54.840 -0.128 0.000 0.866 281 L CB -0.265 41.657 42.059 -0.227 0.000 1.047 281 L HN 0.326 nan 8.230 nan 0.000 0.468 282 N N 1.900 120.634 118.700 0.057 0.000 2.401 282 N HA 0.066 5.267 4.740 0.768 0.000 0.255 282 N C -1.926 173.589 175.510 0.008 0.000 1.110 282 N CA -1.303 51.786 53.050 0.065 0.000 0.949 282 N CB 1.879 40.437 38.487 0.118 0.000 1.110 282 N HN -0.097 nan 8.380 nan 0.000 0.490 283 P HA -0.074 nan 4.420 nan 0.000 0.220 283 P C 0.890 178.172 177.300 -0.031 0.000 1.148 283 P CA 0.863 63.942 63.100 -0.036 0.000 0.803 283 P CB 0.405 32.088 31.700 -0.028 0.000 0.782 284 E N -0.373 119.826 120.200 -0.001 0.000 2.107 284 E HA -0.079 4.732 4.350 0.768 0.000 0.191 284 E C 1.955 178.469 176.600 -0.144 0.000 0.982 284 E CA 1.010 57.411 56.400 0.001 0.000 0.809 284 E CB -0.261 29.500 29.700 0.102 0.000 0.756 284 E HN 0.105 nan 8.360 nan 0.000 0.459 285 A N 0.995 123.732 122.820 -0.139 0.000 1.968 285 A HA -0.125 4.656 4.320 0.768 0.000 0.217 285 A C 2.101 179.648 177.584 -0.061 0.000 1.169 285 A CA 1.050 52.912 52.037 -0.291 0.000 0.638 285 A CB -0.324 18.671 19.000 -0.007 0.000 0.812 285 A HN 0.064 nan 8.150 nan 0.000 0.446 286 R N -0.037 120.433 120.500 -0.050 0.000 2.081 286 R HA -0.170 4.630 4.340 0.768 0.000 0.235 286 R C 2.262 178.544 176.300 -0.030 0.000 1.131 286 R CA 1.960 58.032 56.100 -0.046 0.000 0.960 286 R CB -0.188 30.043 30.300 -0.115 0.000 0.856 286 R HN 0.591 nan 8.270 nan 0.000 0.436 287 K N -0.537 119.829 120.400 -0.056 0.000 2.001 287 K HA -0.216 4.564 4.320 0.768 0.000 0.208 287 K C 1.869 178.442 176.600 -0.045 0.000 1.048 287 K CA 1.696 57.949 56.287 -0.057 0.000 0.932 287 K CB -0.562 31.912 32.500 -0.044 0.000 0.715 287 K HN 0.287 nan 8.250 nan 0.000 0.437 288 W N 0.717 121.843 121.300 -0.290 0.000 2.304 288 W HA -0.292 4.833 4.660 0.775 0.000 0.315 288 W C 1.697 178.088 176.519 -0.212 0.000 1.233 288 W CA 2.190 59.338 57.345 -0.328 0.000 1.261 288 W CB -0.617 28.411 29.460 -0.720 0.000 1.150 288 W HN 0.198 nan 8.180 nan 0.000 0.494 289 F N 1.045 120.757 119.950 -0.398 0.000 2.098 289 F HA 0.045 5.027 4.527 0.758 0.000 0.294 289 F C 2.512 178.128 175.800 -0.307 0.000 1.107 289 F CA 2.677 60.356 58.000 -0.534 0.000 1.234 289 F CB -1.049 37.847 39.000 -0.174 0.000 1.002 289 F HN -0.065 nan 8.300 nan 0.000 0.472 290 G N 0.207 109.027 108.800 0.033 0.000 2.574 290 G HA2 -0.378 4.043 3.960 0.768 0.000 0.220 290 G HA3 -0.378 4.043 3.960 0.768 0.000 0.220 290 G C 1.344 176.145 174.900 -0.166 0.000 1.173 290 G CA 1.434 46.499 45.100 -0.058 0.000 0.772 290 G HN 0.350 nan 8.290 nan 0.000 0.585 291 D N 0.561 120.807 120.400 -0.256 0.000 2.116 291 D HA -0.085 5.016 4.640 0.768 0.000 0.193 291 D C 2.518 178.582 176.300 -0.393 0.000 0.998 291 D CA 0.803 54.648 54.000 -0.259 0.000 0.836 291 D CB -0.145 40.530 40.800 -0.208 0.000 0.951 291 D HN 0.091 nan 8.370 nan 0.000 0.449 292 K N 0.230 120.174 120.400 -0.761 0.000 2.144 292 K HA -0.208 4.573 4.320 0.768 0.000 0.209 292 K C 2.113 178.143 176.600 -0.949 0.000 1.047 292 K CA 0.922 56.484 56.287 -1.207 0.000 0.927 292 K CB -0.874 30.251 32.500 -2.291 0.000 0.716 292 K HN 0.428 nan 8.250 nan 0.000 0.454 293 Y N 0.771 120.669 120.300 -0.671 0.000 2.365 293 Y HA -0.197 4.854 4.550 0.835 0.000 0.287 293 Y C 2.543 178.408 175.900 -0.057 0.000 1.162 293 Y CA 1.247 59.188 58.100 -0.266 0.000 1.260 293 Y CB -0.307 37.882 38.460 -0.450 0.000 0.976 293 Y HN 0.098 nan 8.280 nan 0.000 0.548 294 R N -0.435 120.089 120.500 0.040 0.000 2.103 294 R HA -0.242 4.559 4.340 0.768 0.000 0.242 294 R C 2.093 178.472 176.300 0.130 0.000 1.142 294 R CA 1.806 57.952 56.100 0.076 0.000 0.960 294 R CB -0.698 29.611 30.300 0.015 0.000 0.858 294 R HN 0.397 nan 8.270 nan 0.000 0.439 295 F N 0.731 120.661 119.950 -0.033 0.000 2.087 295 F HA -0.282 4.703 4.527 0.763 0.000 0.299 295 F C 1.603 177.490 175.800 0.145 0.000 1.100 295 F CA 1.788 59.804 58.000 0.027 0.000 1.226 295 F CB -0.218 38.768 39.000 -0.024 0.000 0.983 295 F HN -0.003 nan 8.300 nan 0.000 0.479 296 L N -0.491 120.858 121.223 0.212 0.000 2.202 296 L HA -0.049 4.752 4.340 0.768 0.000 0.205 296 L C 2.386 179.378 176.870 0.203 0.000 1.083 296 L CA 0.634 55.590 54.840 0.193 0.000 0.790 296 L CB -0.418 41.961 42.059 0.533 0.000 0.942 296 L HN 0.124 nan 8.230 nan 0.000 0.452 297 I N 0.032 120.805 120.570 0.339 0.000 2.264 297 I HA -0.322 4.309 4.170 0.768 0.000 0.248 297 I C 1.700 177.884 176.117 0.111 0.000 1.111 297 I CA 1.192 62.649 61.300 0.261 0.000 1.382 297 I CB -0.376 37.775 38.000 0.252 0.000 1.060 297 I HN 0.276 nan 8.210 nan 0.000 0.418 298 D N 0.508 120.943 120.400 0.058 0.000 2.309 298 D HA -0.157 4.944 4.640 0.768 0.000 0.212 298 D C 1.731 178.001 176.300 -0.050 0.000 0.968 298 D CA 0.982 54.983 54.000 0.001 0.000 0.882 298 D CB -0.119 40.677 40.800 -0.007 0.000 0.918 298 D HN 0.505 nan 8.370 nan 0.000 0.503 299 Q N -0.989 118.765 119.800 -0.077 0.000 2.246 299 Q HA 0.331 5.132 4.340 0.768 0.000 0.202 299 Q C 0.945 176.851 176.000 -0.156 0.000 0.883 299 Q CA 0.265 56.007 55.803 -0.102 0.000 0.952 299 Q CB 1.069 29.770 28.738 -0.062 0.000 1.078 299 Q HN 0.225 nan 8.270 nan 0.000 0.493 300 G N 0.623 109.350 108.800 -0.121 0.000 2.179 300 G HA2 -0.180 4.241 3.960 0.768 0.000 0.220 300 G HA3 -0.180 4.241 3.960 0.768 0.000 0.220 300 G C 0.068 174.852 174.900 -0.193 0.000 0.990 300 G CA -0.626 44.372 45.100 -0.170 0.000 0.646 300 G HN 0.230 nan 8.290 nan 0.000 0.517 301 I N 1.453 121.938 120.570 -0.142 0.000 2.496 301 I HA 0.258 4.889 4.170 0.768 0.000 0.285 301 I C 1.080 177.135 176.117 -0.103 0.000 1.080 301 I CA 0.312 61.490 61.300 -0.202 0.000 1.404 301 I CB 0.928 38.790 38.000 -0.229 0.000 1.403 301 I HN 0.292 nan 8.210 nan 0.000 0.539 302 E N 3.718 123.815 120.200 -0.172 0.000 2.562 302 E HA 0.338 5.149 4.350 0.768 0.000 0.214 302 E C 0.561 177.273 176.600 0.188 0.000 0.979 302 E CA -0.206 56.227 56.400 0.055 0.000 1.002 302 E CB 1.238 30.884 29.700 -0.091 0.000 1.048 302 E HN 0.809 nan 8.360 nan 0.000 0.488 303 G N 0.774 109.482 108.800 -0.153 0.000 2.755 303 G HA2 0.542 4.963 3.960 0.768 0.000 0.297 303 G HA3 0.542 4.963 3.960 0.768 0.000 0.297 303 G C -1.439 173.268 174.900 -0.322 0.000 1.441 303 G CA -0.669 44.438 45.100 0.012 0.000 0.964 303 G HN -0.004 nan 8.290 nan 0.000 0.540 304 F N 0.303 120.380 119.950 0.212 0.000 2.629 304 F HA 0.826 5.815 4.527 0.770 0.000 0.316 304 F C -0.757 175.162 175.800 0.197 0.000 1.081 304 F CA -1.029 57.146 58.000 0.291 0.000 0.954 304 F CB 2.433 41.682 39.000 0.415 0.000 1.337 304 F HN 0.638 nan 8.300 nan 0.000 0.474 305 W N 0.763 122.055 121.300 -0.014 0.000 3.097 305 W HA 0.566 5.680 4.660 0.756 0.000 0.335 305 W C -2.231 174.291 176.519 0.005 0.000 1.114 305 W CA -1.823 55.315 57.345 -0.345 0.000 1.231 305 W CB 0.290 29.131 29.460 -1.030 0.000 1.388 305 W HN 0.506 nan 8.180 nan 0.000 0.485 306 N N 2.275 121.099 118.700 0.206 0.000 2.405 306 N HA 0.461 5.662 4.740 0.768 0.000 0.299 306 N C -1.328 174.363 175.510 0.302 0.000 1.075 306 N CA -0.347 52.833 53.050 0.218 0.000 0.884 306 N CB 1.815 40.464 38.487 0.271 0.000 1.194 306 N HN 0.346 nan 8.380 nan 0.000 0.491 307 D N 0.817 121.332 120.400 0.192 0.000 2.609 307 D HA 0.284 5.385 4.640 0.768 0.000 0.239 307 D C -0.073 176.311 176.300 0.139 0.000 1.229 307 D CA -0.345 53.789 54.000 0.223 0.000 0.808 307 D CB 1.042 41.915 40.800 0.121 0.000 1.448 307 D HN 0.467 nan 8.370 nan 0.000 0.433 308 M N 0.469 120.140 119.600 0.118 0.000 2.811 308 M HA -0.253 4.688 4.480 0.768 0.000 0.183 308 M C 0.201 176.510 176.300 0.017 0.000 0.618 308 M CA 0.773 56.109 55.300 0.061 0.000 0.633 308 M CB -2.795 29.820 32.600 0.025 0.000 2.305 308 M HN 0.535 nan 8.290 nan 0.000 0.472 309 N N 0.516 119.264 118.700 0.079 0.000 2.410 309 N HA 0.183 5.384 4.740 0.768 0.000 0.231 309 N C 0.667 176.246 175.510 0.115 0.000 1.172 309 N CA 0.285 53.421 53.050 0.142 0.000 0.849 309 N CB 0.091 38.721 38.487 0.239 0.000 1.116 309 N HN 0.360 nan 8.380 nan 0.000 0.485 310 E N 0.489 120.678 120.200 -0.019 0.000 2.107 310 E HA 0.063 4.874 4.350 0.768 0.000 0.191 310 E C -1.742 174.652 176.600 -0.343 0.000 0.982 310 E CA 0.585 56.948 56.400 -0.062 0.000 0.809 310 E CB -0.824 28.927 29.700 0.085 0.000 0.756 310 E HN 0.573 nan 8.360 nan 0.000 0.459 311 P HA 0.221 nan 4.420 nan 0.000 0.286 311 P C -0.998 176.244 177.300 -0.097 0.000 1.261 311 P CA -0.280 62.470 63.100 -0.584 0.000 0.821 311 P CB 1.641 32.368 31.700 -1.622 0.000 1.013 312 A N 3.402 126.192 122.820 -0.051 0.000 2.371 312 A HA 0.559 5.340 4.320 0.768 0.000 0.257 312 A C 0.001 177.585 177.584 0.001 0.000 1.089 312 A CA -0.268 51.799 52.037 0.050 0.000 0.794 312 A CB -0.381 18.630 19.000 0.019 0.000 1.029 312 A HN 0.529 nan 8.150 nan 0.000 0.488 313 I N 1.868 122.442 120.570 0.006 0.000 2.534 313 I HA 0.222 4.853 4.170 0.768 0.000 0.286 313 I C -0.235 175.868 176.117 -0.023 0.000 1.094 313 I CA -0.377 60.853 61.300 -0.116 0.000 1.055 313 I CB 1.705 39.669 38.000 -0.060 0.000 1.225 313 I HN 0.667 nan 8.210 nan 0.000 0.435 314 F N 5.386 125.186 119.950 -0.251 0.000 2.146 314 F HA -0.044 4.944 4.527 0.769 0.000 0.298 314 F C 0.608 176.405 175.800 -0.005 0.000 1.096 314 F CA 0.336 58.236 58.000 -0.167 0.000 1.275 314 F CB -0.719 38.147 39.000 -0.222 0.000 1.008 314 F HN 0.482 nan 8.300 nan 0.000 0.480 315 Y N -3.761 116.560 120.300 0.035 0.000 2.661 315 Y HA 0.467 5.479 4.550 0.770 0.000 0.339 315 Y C -0.533 175.300 175.900 -0.111 0.000 1.186 315 Y CA -2.050 56.031 58.100 -0.033 0.000 1.137 315 Y CB 0.184 38.632 38.460 -0.019 0.000 1.354 315 Y HN -0.129 nan 8.280 nan 0.000 0.469 316 S N 0.162 115.905 115.700 0.072 0.000 2.758 316 S HA 0.520 5.451 4.470 0.768 0.000 0.292 316 S C 0.433 175.072 174.600 0.065 0.000 1.131 316 S CA -0.016 58.142 58.200 -0.070 0.000 0.997 316 S CB 1.514 64.737 63.200 0.038 0.000 1.111 316 S HN 0.766 nan 8.310 nan 0.000 0.552 317 S N 0.751 116.413 115.700 -0.063 0.000 2.368 317 S HA -0.075 4.856 4.470 0.768 0.000 0.224 317 S C 1.722 176.342 174.600 0.032 0.000 1.029 317 S CA 1.611 59.809 58.200 -0.004 0.000 0.988 317 S CB -0.658 62.502 63.200 -0.065 0.000 0.838 317 S HN 0.799 nan 8.310 nan 0.000 0.462 318 E N 1.054 121.284 120.200 0.049 0.000 2.031 318 E HA -0.033 4.778 4.350 0.768 0.000 0.193 318 E C 2.310 178.940 176.600 0.050 0.000 0.994 318 E CA 1.178 57.615 56.400 0.062 0.000 0.800 318 E CB -0.802 28.956 29.700 0.096 0.000 0.752 318 E HN 0.489 nan 8.360 nan 0.000 0.447 319 G N 0.817 109.654 108.800 0.062 0.000 2.408 319 G HA2 -0.231 4.190 3.960 0.768 0.000 0.217 319 G HA3 -0.231 4.190 3.960 0.768 0.000 0.217 319 G C 1.533 176.441 174.900 0.013 0.000 1.150 319 G CA 0.703 45.827 45.100 0.040 0.000 0.776 319 G HN 0.186 nan 8.290 nan 0.000 0.542 320 L N 1.346 122.583 121.223 0.023 0.000 2.042 320 L HA 0.099 4.900 4.340 0.768 0.000 0.210 320 L C 2.980 179.808 176.870 -0.069 0.000 1.076 320 L CA 2.219 56.997 54.840 -0.104 0.000 0.749 320 L CB -0.586 41.372 42.059 -0.169 0.000 0.893 320 L HN 0.226 nan 8.230 nan 0.000 0.432 321 A N -0.948 121.860 122.820 -0.019 0.000 1.897 321 A HA -0.154 4.627 4.320 0.768 0.000 0.215 321 A C 2.106 179.696 177.584 0.009 0.000 1.181 321 A CA 1.391 53.425 52.037 -0.006 0.000 0.620 321 A CB -0.561 18.444 19.000 0.009 0.000 0.821 321 A HN 0.590 nan 8.150 nan 0.000 0.443 322 E N -0.063 120.145 120.200 0.013 0.000 2.085 322 E HA -0.181 4.630 4.350 0.768 0.000 0.194 322 E C 2.150 178.772 176.600 0.037 0.000 0.994 322 E CA 1.193 57.609 56.400 0.026 0.000 0.801 322 E CB -0.267 29.438 29.700 0.008 0.000 0.743 322 E HN 0.618 nan 8.360 nan 0.000 0.453 323 A N 1.158 123.978 122.820 -0.001 0.000 2.072 323 A HA -0.069 4.712 4.320 0.768 0.000 0.216 323 A C 1.906 179.526 177.584 0.060 0.000 1.156 323 A CA 0.609 52.645 52.037 -0.000 0.000 0.701 323 A CB -0.030 18.928 19.000 -0.071 0.000 0.816 323 A HN -0.003 nan 8.150 nan 0.000 0.458 324 K N -0.233 120.182 120.400 0.025 0.000 2.097 324 K HA -0.146 4.635 4.320 0.768 0.000 0.205 324 K C 2.046 178.687 176.600 0.068 0.000 1.050 324 K CA 1.322 57.627 56.287 0.030 0.000 0.938 324 K CB -0.054 32.444 32.500 -0.004 0.000 0.718 324 K HN 0.651 nan 8.250 nan 0.000 0.442 325 E N 0.363 120.612 120.200 0.082 0.000 2.072 325 E HA -0.191 4.620 4.350 0.768 0.000 0.191 325 E C 1.872 178.541 176.600 0.116 0.000 0.985 325 E CA 0.867 57.316 56.400 0.082 0.000 0.801 325 E CB -0.077 29.668 29.700 0.076 0.000 0.750 325 E HN 0.160 nan 8.360 nan 0.000 0.452 326 F N 1.503 121.454 119.950 0.002 0.000 2.046 326 F HA -0.241 4.748 4.527 0.769 0.000 0.297 326 F C 2.394 178.220 175.800 0.043 0.000 1.123 326 F CA 2.049 60.055 58.000 0.009 0.000 1.199 326 F CB -0.709 38.280 39.000 -0.018 0.000 0.972 326 F HN 0.110 nan 8.300 nan 0.000 0.474 327 A N 0.197 123.164 122.820 0.245 0.000 1.903 327 A HA -0.227 4.554 4.320 0.768 0.000 0.219 327 A C 2.491 180.150 177.584 0.126 0.000 1.191 327 A CA 2.156 54.306 52.037 0.188 0.000 0.638 327 A CB -1.892 17.190 19.000 0.137 0.000 0.823 327 A HN 0.547 nan 8.150 nan 0.000 0.451 328 G N -1.100 107.737 108.800 0.062 0.000 2.442 328 G HA2 -0.224 4.197 3.960 0.768 0.000 0.219 328 G HA3 -0.224 4.197 3.960 0.768 0.000 0.219 328 G C 1.485 176.369 174.900 -0.027 0.000 1.141 328 G CA 1.042 46.150 45.100 0.014 0.000 0.763 328 G HN 0.672 nan 8.290 nan 0.000 0.554 329 E N -0.622 119.545 120.200 -0.054 0.000 2.046 329 E HA -0.060 4.751 4.350 0.768 0.000 0.190 329 E C 2.081 178.603 176.600 -0.131 0.000 0.982 329 E CA 0.438 56.764 56.400 -0.124 0.000 0.800 329 E CB -0.203 29.376 29.700 -0.203 0.000 0.756 329 E HN 0.414 nan 8.360 nan 0.000 0.449 330 F N 1.693 121.466 119.950 -0.296 0.000 2.126 330 F HA -0.216 4.772 4.527 0.769 0.000 0.299 330 F C 2.123 177.830 175.800 -0.154 0.000 1.096 330 F CA 1.544 59.396 58.000 -0.247 0.000 1.255 330 F CB -0.416 38.465 39.000 -0.198 0.000 0.997 330 F HN -0.064 nan 8.300 nan 0.000 0.479 331 A N 0.386 123.108 122.820 -0.163 0.000 2.019 331 A HA -0.181 4.600 4.320 0.768 0.000 0.219 331 A C 1.981 179.421 177.584 -0.240 0.000 1.164 331 A CA 1.757 53.657 52.037 -0.228 0.000 0.644 331 A CB -0.730 18.231 19.000 -0.066 0.000 0.805 331 A HN 0.607 nan 8.150 nan 0.000 0.449 332 K N -0.536 119.748 120.400 -0.193 0.000 2.438 332 K HA 0.134 4.915 4.320 0.768 0.000 0.205 332 K C -0.337 176.160 176.600 -0.172 0.000 1.033 332 K CA -0.279 55.911 56.287 -0.161 0.000 1.089 332 K CB 0.124 32.560 32.500 -0.107 0.000 0.857 332 K HN 0.256 nan 8.250 nan 0.000 0.522 333 D N 1.934 122.199 120.400 -0.225 0.000 2.414 333 D HA -0.012 5.088 4.640 0.768 0.000 0.242 333 D C 0.072 176.239 176.300 -0.222 0.000 1.129 333 D CA 0.809 54.678 54.000 -0.217 0.000 0.885 333 D CB 1.410 42.065 40.800 -0.243 0.000 1.198 333 D HN 0.359 nan 8.370 nan 0.000 0.437 334 T N -0.319 114.135 114.554 -0.167 0.000 3.131 334 T HA 0.112 4.923 4.350 0.768 0.000 0.283 334 T C 0.836 175.467 174.700 -0.115 0.000 0.906 334 T CA -0.411 61.604 62.100 -0.142 0.000 0.882 334 T CB -0.050 68.752 68.868 -0.110 0.000 1.208 334 T HN 0.414 nan 8.240 nan 0.000 0.561 335 E N 1.687 121.817 120.200 -0.117 0.000 2.465 335 E HA 0.380 5.191 4.350 0.768 0.000 0.191 335 E C 1.238 177.768 176.600 -0.116 0.000 1.053 335 E CA -0.054 56.288 56.400 -0.095 0.000 0.869 335 E CB -0.137 29.513 29.700 -0.082 0.000 0.977 335 E HN 0.616 nan 8.360 nan 0.000 0.483 336 G N 2.829 111.534 108.800 -0.159 0.000 2.356 336 G HA2 -0.381 4.040 3.960 0.768 0.000 0.296 336 G HA3 -0.381 4.040 3.960 0.768 0.000 0.296 336 G C 0.820 175.512 174.900 -0.347 0.000 1.022 336 G CA 1.309 46.272 45.100 -0.228 0.000 0.961 336 G HN 0.333 nan 8.290 nan 0.000 0.510 337 K N -0.699 119.531 120.400 -0.284 0.000 2.242 337 K HA 0.327 5.108 4.320 0.768 0.000 0.200 337 K C 1.069 177.486 176.600 -0.306 0.000 1.050 337 K CA 0.308 56.449 56.287 -0.244 0.000 0.981 337 K CB 0.163 32.581 32.500 -0.138 0.000 0.795 337 K HN 0.440 nan 8.250 nan 0.000 0.477 338 I N 2.901 123.291 120.570 -0.299 0.000 2.312 338 I HA 0.182 4.813 4.170 0.768 0.000 0.290 338 I C -0.254 175.713 176.117 -0.250 0.000 1.008 338 I CA -0.904 60.256 61.300 -0.232 0.000 1.226 338 I CB 1.074 38.957 38.000 -0.196 0.000 1.371 338 I HN 0.190 nan 8.210 nan 0.000 0.468 339 H N 6.978 125.912 119.070 -0.226 0.000 2.505 339 H HA 0.193 5.210 4.556 0.768 0.000 0.351 339 H C -1.627 173.341 175.328 -0.600 0.000 1.151 339 H CA -1.767 53.948 56.048 -0.556 0.000 1.339 339 H CB 1.349 30.491 29.762 -1.034 0.000 1.483 339 H HN 0.322 nan 8.280 nan 0.000 0.558 340 P HA -0.165 nan 4.420 nan 0.000 0.216 340 P C 1.084 178.225 177.300 -0.265 0.000 1.150 340 P CA 1.632 64.528 63.100 -0.339 0.000 0.843 340 P CB -0.086 31.581 31.700 -0.054 0.000 0.787 341 W N -1.049 120.281 121.300 0.050 0.000 2.678 341 W HA 0.362 5.482 4.660 0.768 0.000 0.256 341 W C 1.974 178.508 176.519 0.025 0.000 1.280 341 W CA 0.556 57.911 57.345 0.017 0.000 1.345 341 W CB -1.621 27.845 29.460 0.011 0.000 1.118 341 W HN -0.163 nan 8.180 nan 0.000 0.629 342 A N 1.225 123.997 122.820 -0.079 0.000 1.897 342 A HA -0.083 4.698 4.320 0.768 0.000 0.215 342 A C 2.076 179.721 177.584 0.102 0.000 1.181 342 A CA 1.849 53.935 52.037 0.081 0.000 0.620 342 A CB -0.692 18.407 19.000 0.166 0.000 0.821 342 A HN 0.315 nan 8.150 nan 0.000 0.443 343 M N -0.348 119.269 119.600 0.029 0.000 2.117 343 M HA -0.156 4.785 4.480 0.768 0.000 0.262 343 M C 2.130 178.355 176.300 -0.126 0.000 1.065 343 M CA 1.926 57.207 55.300 -0.032 0.000 1.114 343 M CB -0.542 31.627 32.600 -0.718 0.000 1.361 343 M HN 0.516 nan 8.290 nan 0.000 0.408 344 Q N -0.577 119.157 119.800 -0.109 0.000 2.045 344 Q HA -0.202 4.599 4.340 0.768 0.000 0.206 344 Q C 2.058 178.032 176.000 -0.044 0.000 0.991 344 Q CA 2.115 57.892 55.803 -0.043 0.000 0.851 344 Q CB -0.381 28.381 28.738 0.040 0.000 0.911 344 Q HN 0.713 nan 8.270 nan 0.000 0.418 345 A N 0.749 123.554 122.820 -0.024 0.000 1.933 345 A HA -0.211 4.570 4.320 0.768 0.000 0.218 345 A C 1.947 179.451 177.584 -0.133 0.000 1.175 345 A CA 1.779 53.793 52.037 -0.038 0.000 0.628 345 A CB -0.371 18.636 19.000 0.012 0.000 0.814 345 A HN 0.170 nan 8.150 nan 0.000 0.444 346 K N -0.559 119.681 120.400 -0.267 0.000 2.097 346 K HA -0.057 4.724 4.320 0.768 0.000 0.205 346 K C 1.846 178.306 176.600 -0.233 0.000 1.050 346 K CA 1.593 57.638 56.287 -0.404 0.000 0.938 346 K CB -0.323 31.606 32.500 -0.952 0.000 0.718 346 K HN 0.344 nan 8.250 nan 0.000 0.442 347 M N 0.648 120.150 119.600 -0.162 0.000 2.132 347 M HA -0.094 4.847 4.480 0.768 0.000 0.263 347 M C 1.843 178.107 176.300 -0.061 0.000 1.065 347 M CA 1.651 56.893 55.300 -0.097 0.000 1.122 347 M CB -0.694 31.862 32.600 -0.074 0.000 1.365 347 M HN 0.129 nan 8.290 nan 0.000 0.411 348 K N -0.003 120.368 120.400 -0.049 0.000 2.057 348 K HA -0.173 4.608 4.320 0.768 0.000 0.206 348 K C 1.601 178.187 176.600 -0.023 0.000 1.050 348 K CA 1.322 57.595 56.287 -0.022 0.000 0.935 348 K CB -0.250 32.245 32.500 -0.009 0.000 0.715 348 K HN 0.170 nan 8.250 nan 0.000 0.439 349 D N 1.312 121.682 120.400 -0.050 0.000 2.309 349 D HA -0.125 4.976 4.640 0.768 0.000 0.212 349 D C 1.541 177.817 176.300 -0.041 0.000 0.968 349 D CA 0.614 54.584 54.000 -0.050 0.000 0.882 349 D CB 0.005 40.758 40.800 -0.079 0.000 0.918 349 D HN 0.381 nan 8.370 nan 0.000 0.503 350 I N -2.601 117.950 120.570 -0.032 0.000 3.578 350 I HA 0.110 4.741 4.170 0.768 0.000 0.295 350 I C -0.135 176.007 176.117 0.043 0.000 1.280 350 I CA -0.139 61.162 61.300 0.002 0.000 1.347 350 I CB 0.264 38.271 38.000 0.012 0.000 1.051 350 I HN -0.316 nan 8.210 nan 0.000 0.460 351 V N 3.894 123.832 119.914 0.039 0.000 2.383 351 V HA 0.272 4.853 4.120 0.768 0.000 0.275 351 V C 0.045 176.161 176.094 0.037 0.000 1.036 351 V CA -0.542 61.798 62.300 0.067 0.000 0.889 351 V CB 0.349 32.213 31.823 0.067 0.000 0.985 351 V HN 0.565 nan 8.190 nan 0.000 0.459 352 N N 2.207 120.916 118.700 0.015 0.000 2.725 352 N HA -0.175 5.026 4.740 0.768 0.000 0.251 352 N C 0.258 175.729 175.510 -0.066 0.000 1.031 352 N CA 1.128 54.179 53.050 0.003 0.000 0.720 352 N CB -0.751 37.831 38.487 0.158 0.000 0.930 352 N HN 0.764 nan 8.380 nan 0.000 0.543 353 S N 0.393 115.980 115.700 -0.189 0.000 2.481 353 S HA 0.312 5.242 4.470 0.768 0.000 0.276 353 S C -0.935 173.559 174.600 -0.177 0.000 1.247 353 S CA -1.445 56.678 58.200 -0.130 0.000 1.053 353 S CB 1.056 64.196 63.200 -0.099 0.000 0.925 353 S HN 0.014 nan 8.310 nan 0.000 0.491 354 P HA -0.176 nan 4.420 nan 0.000 0.219 354 P C 0.732 178.035 177.300 0.006 0.000 1.153 354 P CA 1.443 64.587 63.100 0.073 0.000 0.865 354 P CB 0.124 31.846 31.700 0.037 0.000 0.788 355 E N -1.353 118.825 120.200 -0.037 0.000 2.208 355 E HA -0.133 4.678 4.350 0.768 0.000 0.193 355 E C 1.600 178.170 176.600 -0.050 0.000 0.988 355 E CA 0.879 57.258 56.400 -0.035 0.000 0.828 355 E CB -0.527 29.161 29.700 -0.020 0.000 0.763 355 E HN 0.267 nan 8.360 nan 0.000 0.478 356 D N -0.639 119.702 120.400 -0.098 0.000 2.194 356 D HA -0.088 5.013 4.640 0.768 0.000 0.204 356 D C 0.954 177.202 176.300 -0.087 0.000 0.964 356 D CA 0.727 54.695 54.000 -0.053 0.000 0.846 356 D CB -0.047 40.717 40.800 -0.060 0.000 0.962 356 D HN 0.243 nan 8.370 nan 0.000 0.490 357 Y N 1.049 121.351 120.300 0.003 0.000 2.680 357 Y HA 0.002 5.013 4.550 0.769 0.000 0.303 357 Y C 1.594 177.239 175.900 -0.425 0.000 1.166 357 Y CA 0.578 58.585 58.100 -0.155 0.000 1.344 357 Y CB -0.197 38.280 38.460 0.028 0.000 1.002 357 Y HN -0.029 nan 8.280 nan 0.000 0.537 358 K N -0.393 119.875 120.400 -0.219 0.000 2.358 358 K HA 0.205 4.986 4.320 0.768 0.000 0.200 358 K C 1.218 177.609 176.600 -0.347 0.000 1.030 358 K CA 0.008 56.118 56.287 -0.295 0.000 1.097 358 K CB 0.437 32.848 32.500 -0.148 0.000 0.862 358 K HN 0.272 nan 8.250 nan 0.000 0.534 359 R N 0.495 120.788 120.500 -0.344 0.000 2.312 359 R HA 0.126 4.927 4.340 0.768 0.000 0.205 359 R C 0.184 176.349 176.300 -0.224 0.000 0.904 359 R CA 0.248 56.240 56.100 -0.179 0.000 1.052 359 R CB 0.205 30.520 30.300 0.025 0.000 1.014 359 R HN 0.088 nan 8.270 nan 0.000 0.503 360 F N -2.798 116.779 119.950 -0.622 0.000 2.675 360 F HA 0.631 5.618 4.527 0.767 0.000 0.324 360 F C -1.121 174.349 175.800 -0.550 0.000 1.106 360 F CA -1.794 55.908 58.000 -0.496 0.000 0.970 360 F CB 0.986 39.522 39.000 -0.772 0.000 1.385 360 F HN -0.325 nan 8.300 nan 0.000 0.489 361 Y N -0.355 119.931 120.300 -0.023 0.000 2.534 361 Y HA 0.458 5.468 4.550 0.768 0.000 0.345 361 Y C -0.659 175.163 175.900 -0.129 0.000 1.031 361 Y CA -0.975 57.074 58.100 -0.086 0.000 1.022 361 Y CB 1.899 40.356 38.460 -0.005 0.000 1.292 361 Y HN 0.554 nan 8.280 nan 0.000 0.459 362 H N 1.330 120.580 119.070 0.300 0.000 2.472 362 H HA 0.238 5.256 4.556 0.769 0.000 0.338 362 H C -0.954 174.496 175.328 0.203 0.000 1.133 362 H CA -0.744 55.449 56.048 0.242 0.000 1.216 362 H CB 2.055 31.924 29.762 0.178 0.000 1.497 362 H HN 0.510 nan 8.280 nan 0.000 0.500 363 N N 2.493 121.361 118.700 0.281 0.000 2.609 363 N HA 0.105 5.306 4.740 0.768 0.000 0.234 363 N C -1.413 174.200 175.510 0.172 0.000 1.001 363 N CA -0.383 52.779 53.050 0.186 0.000 0.926 363 N CB 0.350 38.912 38.487 0.125 0.000 1.130 363 N HN 0.205 nan 8.380 nan 0.000 0.510 364 V N 4.315 124.336 119.914 0.178 0.000 2.284 364 V HA 0.245 4.826 4.120 0.768 0.000 0.260 364 V C 0.016 176.165 176.094 0.092 0.000 1.084 364 V CA -0.759 61.634 62.300 0.155 0.000 0.894 364 V CB -0.233 31.742 31.823 0.253 0.000 1.119 364 V HN 0.775 nan 8.190 nan 0.000 0.484 365 N N 4.268 123.004 118.700 0.061 0.000 2.735 365 N HA -0.221 4.980 4.740 0.768 0.000 0.248 365 N C 1.144 176.674 175.510 0.033 0.000 1.083 365 N CA 1.473 54.542 53.050 0.032 0.000 0.703 365 N CB -1.298 37.193 38.487 0.007 0.000 1.005 365 N HN 1.267 nan 8.380 nan 0.000 0.550 366 G N -1.737 107.091 108.800 0.046 0.000 2.254 366 G HA2 -0.296 4.125 3.960 0.768 0.000 0.225 366 G HA3 -0.296 4.125 3.960 0.768 0.000 0.225 366 G C -0.078 174.851 174.900 0.048 0.000 1.003 366 G CA 0.304 45.427 45.100 0.037 0.000 0.622 366 G HN 0.331 nan 8.290 nan 0.000 0.507 367 K N 1.594 122.037 120.400 0.071 0.000 2.248 367 K HA 0.333 5.114 4.320 0.768 0.000 0.281 367 K C 0.104 176.777 176.600 0.122 0.000 1.054 367 K CA -0.350 55.991 56.287 0.089 0.000 0.903 367 K CB 0.750 33.314 32.500 0.106 0.000 1.077 367 K HN 0.287 nan 8.250 nan 0.000 0.474 368 K N 4.495 124.953 120.400 0.097 0.000 2.338 368 K HA 0.217 4.998 4.320 0.768 0.000 0.290 368 K C 0.058 176.782 176.600 0.207 0.000 1.069 368 K CA -0.162 56.198 56.287 0.122 0.000 0.941 368 K CB 0.509 33.002 32.500 -0.011 0.000 1.023 368 K HN 0.323 nan 8.250 nan 0.000 0.477 369 I N 2.553 123.296 120.570 0.289 0.000 2.530 369 I HA 0.350 4.981 4.170 0.768 0.000 0.297 369 I C 0.293 176.559 176.117 0.247 0.000 1.011 369 I CA -0.874 60.573 61.300 0.245 0.000 1.107 369 I CB 1.577 39.666 38.000 0.148 0.000 1.285 369 I HN 0.519 nan 8.210 nan 0.000 0.436 370 R N 3.502 124.014 120.500 0.019 0.000 2.357 370 R HA 0.136 4.937 4.340 0.768 0.000 0.296 370 R C 1.567 177.663 176.300 -0.341 0.000 1.052 370 R CA -0.290 55.518 56.100 -0.487 0.000 0.988 370 R CB 0.574 30.584 30.300 -0.484 0.000 1.025 370 R HN 0.650 nan 8.270 nan 0.000 0.469 371 H N 4.191 122.904 119.070 -0.594 0.000 2.321 371 H HA -0.242 4.773 4.556 0.766 0.000 0.295 371 H C 0.972 176.147 175.328 -0.255 0.000 1.102 371 H CA 2.663 58.477 56.048 -0.391 0.000 1.266 371 H CB 0.244 29.463 29.762 -0.904 0.000 1.363 371 H HN 0.832 nan 8.280 nan 0.000 0.492 372 D N 0.648 120.849 120.400 -0.332 0.000 2.203 372 D HA -0.194 4.907 4.640 0.768 0.000 0.199 372 D C 1.850 177.973 176.300 -0.295 0.000 0.997 372 D CA 1.304 55.140 54.000 -0.272 0.000 0.863 372 D CB -0.450 40.252 40.800 -0.164 0.000 0.928 372 D HN 0.247 nan 8.370 nan 0.000 0.458 373 K N -0.199 120.029 120.400 -0.286 0.000 2.362 373 K HA -0.004 4.777 4.320 0.768 0.000 0.200 373 K C 1.433 177.777 176.600 -0.426 0.000 1.046 373 K CA 0.910 57.028 56.287 -0.282 0.000 0.952 373 K CB 0.223 32.600 32.500 -0.205 0.000 0.753 373 K HN 0.397 nan 8.250 nan 0.000 0.466 374 V N -3.103 116.517 119.914 -0.489 0.000 3.157 374 V HA 0.240 4.821 4.120 0.768 0.000 0.361 374 V C 1.150 176.923 176.094 -0.535 0.000 1.421 374 V CA -0.375 61.566 62.300 -0.598 0.000 1.213 374 V CB -0.079 31.280 31.823 -0.772 0.000 1.164 374 V HN 0.218 nan 8.190 nan 0.000 0.559 375 H N 1.798 120.473 119.070 -0.658 0.000 2.387 375 H HA -0.061 4.958 4.556 0.771 0.000 0.299 375 H C 1.854 177.002 175.328 -0.300 0.000 1.099 375 H CA 2.465 58.060 56.048 -0.755 0.000 1.315 375 H CB 0.143 29.494 29.762 -0.685 0.000 1.380 375 H HN 0.441 nan 8.280 nan 0.000 0.513 376 N N 0.286 118.850 118.700 -0.227 0.000 2.573 376 N HA -0.072 5.129 4.740 0.768 0.000 0.187 376 N C 1.174 176.638 175.510 -0.076 0.000 1.107 376 N CA 0.901 53.890 53.050 -0.102 0.000 0.918 376 N CB 0.083 38.615 38.487 0.075 0.000 0.966 376 N HN 0.516 nan 8.380 nan 0.000 0.448 377 L N -1.541 119.582 121.223 -0.167 0.000 2.554 377 L HA 0.167 4.968 4.340 0.768 0.000 0.225 377 L C 1.772 178.670 176.870 0.047 0.000 1.104 377 L CA -0.174 54.661 54.840 -0.008 0.000 0.866 377 L CB -0.255 41.723 42.059 -0.135 0.000 1.047 377 L HN -0.072 nan 8.230 nan 0.000 0.468 378 F N 1.960 121.829 119.950 -0.134 0.000 2.026 378 F HA -0.183 4.810 4.527 0.776 0.000 0.296 378 F C 2.283 178.057 175.800 -0.044 0.000 1.133 378 F CA 2.091 60.038 58.000 -0.089 0.000 1.188 378 F CB -0.399 38.590 39.000 -0.019 0.000 0.968 378 F HN 0.019 nan 8.300 nan 0.000 0.476 379 G N -1.186 107.765 108.800 0.251 0.000 2.422 379 G HA2 -0.316 4.105 3.960 0.768 0.000 0.218 379 G HA3 -0.316 4.105 3.960 0.768 0.000 0.218 379 G C 1.497 176.503 174.900 0.178 0.000 1.140 379 G CA 0.793 46.010 45.100 0.194 0.000 0.775 379 G HN 0.511 nan 8.290 nan 0.000 0.545 380 Y N 2.514 122.869 120.300 0.090 0.000 1.977 380 Y HA -0.252 4.753 4.550 0.758 0.000 0.264 380 Y C 2.457 178.344 175.900 -0.022 0.000 1.167 380 Y CA 2.007 60.182 58.100 0.126 0.000 1.102 380 Y CB -0.965 37.605 38.460 0.184 0.000 0.948 380 Y HN 0.209 nan 8.280 nan 0.000 0.489 381 N N 0.238 118.770 118.700 -0.279 0.000 2.272 381 N HA -0.221 4.980 4.740 0.768 0.000 0.185 381 N C 2.102 177.381 175.510 -0.386 0.000 1.014 381 N CA 1.464 54.215 53.050 -0.498 0.000 0.870 381 N CB -0.368 37.805 38.487 -0.523 0.000 0.975 381 N HN 0.548 nan 8.380 nan 0.000 0.433 382 M N 0.683 120.072 119.600 -0.352 0.000 2.175 382 M HA -0.112 4.829 4.480 0.768 0.000 0.264 382 M C 1.628 177.869 176.300 -0.098 0.000 1.063 382 M CA 1.305 56.439 55.300 -0.276 0.000 1.119 382 M CB -0.015 32.428 32.600 -0.261 0.000 1.377 382 M HN -0.059 nan 8.290 nan 0.000 0.415 383 T N -0.034 114.491 114.554 -0.047 0.000 2.851 383 T HA -0.082 4.729 4.350 0.768 0.000 0.262 383 T C 1.744 176.332 174.700 -0.187 0.000 1.043 383 T CA 1.255 63.342 62.100 -0.020 0.000 1.140 383 T CB -0.328 68.626 68.868 0.143 0.000 0.872 383 T HN 0.448 nan 8.240 nan 0.000 0.446 384 R N 1.049 121.354 120.500 -0.325 0.000 2.133 384 R HA -0.169 4.632 4.340 0.768 0.000 0.247 384 R C 2.484 178.443 176.300 -0.569 0.000 1.151 384 R CA 1.600 57.224 56.100 -0.794 0.000 0.971 384 R CB -0.438 29.351 30.300 -0.851 0.000 0.866 384 R HN 0.392 nan 8.270 nan 0.000 0.447 385 A N 0.399 122.995 122.820 -0.374 0.000 1.877 385 A HA -0.117 4.664 4.320 0.768 0.000 0.216 385 A C 2.334 179.697 177.584 -0.369 0.000 1.186 385 A CA 1.770 53.651 52.037 -0.260 0.000 0.620 385 A CB -0.796 18.170 19.000 -0.057 0.000 0.822 385 A HN 0.537 nan 8.150 nan 0.000 0.443 386 A N -0.772 121.727 122.820 -0.534 0.000 1.929 386 A HA 0.211 4.992 4.320 0.768 0.000 0.216 386 A C 2.343 179.069 177.584 -1.429 0.000 1.176 386 A CA 1.691 53.011 52.037 -1.194 0.000 0.628 386 A CB -1.190 16.931 19.000 -1.466 0.000 0.816 386 A HN 0.729 nan 8.150 nan 0.000 0.444 387 G N -0.616 107.728 108.800 -0.760 0.000 2.448 387 G HA2 -0.115 4.306 3.960 0.768 0.000 0.218 387 G HA3 -0.115 4.306 3.960 0.768 0.000 0.218 387 G C 1.394 176.187 174.900 -0.178 0.000 1.135 387 G CA 0.900 45.792 45.100 -0.346 0.000 0.784 387 G HN 0.646 nan 8.290 nan 0.000 0.543 388 E N 0.306 120.343 120.200 -0.273 0.000 2.122 388 E HA 0.142 4.953 4.350 0.768 0.000 0.190 388 E C 2.890 179.398 176.600 -0.154 0.000 0.977 388 E CA 0.463 56.779 56.400 -0.139 0.000 0.820 388 E CB -0.066 29.543 29.700 -0.152 0.000 0.770 388 E HN 0.350 nan 8.360 nan 0.000 0.462 389 A N 1.118 123.753 122.820 -0.309 0.000 1.940 389 A HA -0.192 4.589 4.320 0.768 0.000 0.219 389 A C 1.768 179.292 177.584 -0.099 0.000 1.176 389 A CA 1.222 53.111 52.037 -0.247 0.000 0.631 389 A CB -0.653 18.135 19.000 -0.354 0.000 0.814 389 A HN 0.154 nan 8.150 nan 0.000 0.446 390 F N 0.000 119.827 119.950 -0.205 0.000 2.186 390 F HA -0.060 4.613 4.527 0.244 0.000 0.299 390 F C 2.294 178.147 175.800 0.088 0.000 1.090 390 F CA 1.163 59.056 58.000 -0.178 0.000 1.307 390 F CB -1.129 37.749 39.000 -0.202 0.000 1.019 390 F HN 0.326 nan 8.300 nan 0.000 0.489 391 E N -0.401 119.954 120.200 0.258 0.000 2.268 391 E HA -0.118 4.693 4.350 0.768 0.000 0.195 391 E C 2.255 178.939 176.600 0.140 0.000 0.995 391 E CA 0.508 57.030 56.400 0.204 0.000 0.836 391 E CB 0.015 29.812 29.700 0.161 0.000 0.763 391 E HN 0.349 nan 8.360 nan 0.000 0.491 392 R N -0.124 120.438 120.500 0.102 0.000 2.066 392 R HA 0.013 4.814 4.340 0.768 0.000 0.224 392 R C 2.203 178.555 176.300 0.088 0.000 1.122 392 R CA 0.684 56.826 56.100 0.070 0.000 0.974 392 R CB -0.174 30.143 30.300 0.028 0.000 0.871 392 R HN 0.095 nan 8.270 nan 0.000 0.435 393 I N 0.700 121.337 120.570 0.113 0.000 2.099 393 I HA -0.224 4.407 4.170 0.768 0.000 0.239 393 I C 0.654 176.871 176.117 0.167 0.000 1.066 393 I CA 1.464 62.844 61.300 0.134 0.000 1.324 393 I CB 0.053 38.147 38.000 0.157 0.000 1.037 393 I HN 0.067 nan 8.210 nan 0.000 0.401 394 D N -1.062 119.481 120.400 0.239 0.000 2.381 394 D HA 0.166 5.267 4.640 0.768 0.000 0.245 394 D C -2.036 174.401 176.300 0.227 0.000 1.297 394 D CA -1.696 52.435 54.000 0.218 0.000 0.931 394 D CB 1.065 42.003 40.800 0.231 0.000 1.334 394 D HN -0.149 nan 8.370 nan 0.000 0.535 395 P HA -0.121 nan 4.420 nan 0.000 0.217 395 P C 0.755 178.134 177.300 0.132 0.000 1.148 395 P CA 1.012 64.201 63.100 0.148 0.000 0.828 395 P CB 0.498 32.255 31.700 0.095 0.000 0.783 396 E N -0.807 119.457 120.200 0.107 0.000 2.479 396 E HA 0.051 4.862 4.350 0.768 0.000 0.193 396 E C 0.654 177.337 176.600 0.138 0.000 1.049 396 E CA 0.189 56.636 56.400 0.078 0.000 0.870 396 E CB 0.206 29.920 29.700 0.025 0.000 0.944 396 E HN 0.331 nan 8.360 nan 0.000 0.492 397 K N 1.328 121.785 120.400 0.094 0.000 2.244 397 K HA 0.308 5.089 4.320 0.768 0.000 0.260 397 K C -0.504 175.953 176.600 -0.238 0.000 0.951 397 K CA -0.573 55.632 56.287 -0.136 0.000 0.826 397 K CB 1.203 33.524 32.500 -0.299 0.000 1.108 397 K HN -0.140 nan 8.250 nan 0.000 0.433 398 R N 3.122 123.444 120.500 -0.297 0.000 2.357 398 R HA 0.324 5.125 4.340 0.768 0.000 0.296 398 R C -0.653 175.451 176.300 -0.328 0.000 1.052 398 R CA -0.302 55.707 56.100 -0.152 0.000 0.988 398 R CB 0.503 30.753 30.300 -0.083 0.000 1.025 398 R HN 0.298 nan 8.270 nan 0.000 0.469 399 F N 1.348 121.307 119.950 0.014 0.000 2.538 399 F HA 0.314 5.228 4.527 0.644 0.000 0.325 399 F C 0.017 175.890 175.800 0.121 0.000 1.066 399 F CA -1.391 56.575 58.000 -0.056 0.000 0.946 399 F CB 1.205 39.903 39.000 -0.502 0.000 1.199 399 F HN 0.234 nan 8.300 nan 0.000 0.473 400 L N 3.434 124.834 121.223 0.296 0.000 2.360 400 L HA 0.505 5.306 4.340 0.768 0.000 0.276 400 L C -0.652 176.443 176.870 0.375 0.000 1.121 400 L CA 0.014 55.012 54.840 0.263 0.000 0.845 400 L CB 0.477 42.623 42.059 0.145 0.000 1.143 400 L HN 0.681 nan 8.230 nan 0.000 0.452 401 M N 7.186 126.971 119.600 0.310 0.000 2.284 401 M HA 0.631 5.572 4.480 0.768 0.000 0.281 401 M C -1.913 174.531 176.300 0.240 0.000 1.083 401 M CA -0.437 55.004 55.300 0.236 0.000 0.965 401 M CB 1.577 34.296 32.600 0.197 0.000 1.717 401 M HN 0.439 nan 8.290 nan 0.000 0.479 402 F N 1.069 121.197 119.950 0.297 0.000 2.654 402 F HA 0.894 5.878 4.527 0.762 0.000 0.308 402 F C -1.188 174.915 175.800 0.505 0.000 1.108 402 F CA -0.797 57.423 58.000 0.368 0.000 0.957 402 F CB 1.203 40.479 39.000 0.461 0.000 1.309 402 F HN 0.573 nan 8.300 nan 0.000 0.446 403 S N 0.975 117.100 115.700 0.708 0.000 2.599 403 S HA 0.527 5.458 4.470 0.768 0.000 0.294 403 S C 0.403 175.279 174.600 0.460 0.000 1.094 403 S CA -0.702 57.822 58.200 0.540 0.000 0.931 403 S CB 2.154 65.566 63.200 0.353 0.000 1.093 403 S HN 0.955 nan 8.310 nan 0.000 0.488 404 R N 1.228 121.835 120.500 0.178 0.000 2.052 404 R HA 0.235 5.035 4.340 0.768 0.000 0.224 404 R C 0.694 176.885 176.300 -0.181 0.000 1.149 404 R CA 0.749 56.611 56.100 -0.398 0.000 0.962 404 R CB -0.493 29.449 30.300 -0.597 0.000 0.856 404 R HN 0.539 nan 8.270 nan 0.000 0.433 405 S N -0.237 115.470 115.700 0.011 0.000 2.584 405 S HA 0.337 5.268 4.470 0.768 0.000 0.273 405 S C -0.877 173.817 174.600 0.157 0.000 1.311 405 S CA -0.256 58.003 58.200 0.099 0.000 1.034 405 S CB 1.055 64.334 63.200 0.132 0.000 0.939 405 S HN 0.477 nan 8.310 nan 0.000 0.513 406 S N 2.945 118.746 115.700 0.169 0.000 2.588 406 S HA 0.673 5.604 4.470 0.768 0.000 0.269 406 S C -1.578 173.247 174.600 0.376 0.000 1.157 406 S CA -0.813 57.553 58.200 0.278 0.000 0.824 406 S CB 1.246 64.546 63.200 0.167 0.000 1.126 406 S HN 0.768 nan 8.310 nan 0.000 0.464 407 Y N 0.451 120.934 120.300 0.306 0.000 2.562 407 Y HA 0.651 5.659 4.550 0.764 0.000 0.345 407 Y C -0.955 175.119 175.900 0.290 0.000 1.045 407 Y CA -1.251 57.023 58.100 0.289 0.000 1.028 407 Y CB 1.187 39.730 38.460 0.139 0.000 1.297 407 Y HN 0.905 nan 8.280 nan 0.000 0.463 408 I N 4.369 124.788 120.570 -0.251 0.000 2.710 408 I HA 0.219 4.850 4.170 0.768 0.000 0.286 408 I C 1.047 177.095 176.117 -0.115 0.000 1.181 408 I CA 2.047 63.260 61.300 -0.145 0.000 1.430 408 I CB 0.369 38.221 38.000 -0.246 0.000 1.367 408 I HN 0.971 nan 8.210 nan 0.000 0.577 409 G N 4.605 113.449 108.800 0.074 0.000 2.376 409 G HA2 -0.274 4.147 3.960 0.768 0.000 0.208 409 G HA3 -0.274 4.147 3.960 0.768 0.000 0.208 409 G C 0.867 175.801 174.900 0.056 0.000 1.032 409 G CA 0.300 45.437 45.100 0.061 0.000 0.641 409 G HN 0.532 nan 8.290 nan 0.000 0.503 410 M N 1.460 121.054 119.600 -0.010 0.000 2.254 410 M HA -0.007 4.934 4.480 0.768 0.000 0.265 410 M C 2.483 178.879 176.300 0.161 0.000 1.066 410 M CA 2.129 57.669 55.300 0.401 0.000 1.123 410 M CB -0.574 32.349 32.600 0.539 0.000 1.388 410 M HN 0.621 nan 8.290 nan 0.000 0.425 411 H N -0.002 118.902 119.070 -0.276 0.000 2.501 411 H HA -0.214 4.813 4.556 0.785 0.000 0.296 411 H C 1.304 176.495 175.328 -0.228 0.000 1.115 411 H CA 1.663 57.338 56.048 -0.621 0.000 1.242 411 H CB -0.885 28.130 29.762 -1.245 0.000 1.363 411 H HN 0.493 nan 8.280 nan 0.000 0.537 412 R N -0.504 119.406 120.500 -0.983 0.000 2.240 412 R HA 0.022 4.822 4.340 0.768 0.000 0.203 412 R C 0.984 176.975 176.300 -0.514 0.000 1.011 412 R CA 0.923 56.539 56.100 -0.807 0.000 1.007 412 R CB 0.153 29.792 30.300 -1.101 0.000 0.911 412 R HN 0.410 nan 8.270 nan 0.000 0.468 413 Y N -1.072 119.248 120.300 0.034 0.000 2.483 413 Y HA 0.398 5.364 4.550 0.692 0.000 0.258 413 Y C 1.104 176.951 175.900 -0.087 0.000 1.083 413 Y CA -0.050 58.087 58.100 0.062 0.000 1.283 413 Y CB 1.232 39.713 38.460 0.034 0.000 1.178 413 Y HN 0.006 nan 8.280 nan 0.000 0.515 414 G N -0.922 107.855 108.800 -0.039 0.000 2.506 414 G HA2 0.470 4.891 3.960 0.768 0.000 0.292 414 G HA3 0.470 4.891 3.960 0.768 0.000 0.292 414 G C -0.758 174.179 174.900 0.062 0.000 1.425 414 G CA -0.241 44.593 45.100 -0.444 0.000 0.788 414 G HN 0.220 nan 8.290 nan 0.000 0.490 415 G N -1.402 107.529 108.800 0.218 0.000 2.568 415 G HA2 0.631 5.052 3.960 0.768 0.000 0.293 415 G HA3 0.631 5.052 3.960 0.768 0.000 0.293 415 G C -0.948 174.280 174.900 0.546 0.000 1.347 415 G CA -0.610 44.833 45.100 0.571 0.000 1.039 415 G HN 0.540 nan 8.290 nan 0.000 0.523 416 I N -0.427 120.395 120.570 0.421 0.000 2.647 416 I HA 0.438 5.069 4.170 0.768 0.000 0.295 416 I C -1.283 174.987 176.117 0.256 0.000 1.078 416 I CA -0.997 60.486 61.300 0.304 0.000 1.048 416 I CB 1.821 39.853 38.000 0.053 0.000 1.239 416 I HN 0.829 nan 8.210 nan 0.000 0.421 417 W N 7.372 128.724 121.300 0.087 0.000 2.702 417 W HA 0.719 5.835 4.660 0.761 0.000 0.331 417 W C -1.457 175.076 176.519 0.024 0.000 1.049 417 W CA -0.962 56.366 57.345 -0.029 0.000 1.230 417 W CB 1.193 30.603 29.460 -0.084 0.000 1.408 417 W HN 0.281 nan 8.180 nan 0.000 0.492 418 M N 4.779 124.358 119.600 -0.035 0.000 2.113 418 M HA 0.519 5.460 4.480 0.768 0.000 0.352 418 M C -0.107 176.236 176.300 0.072 0.000 1.170 418 M CA -0.660 54.600 55.300 -0.067 0.000 1.053 418 M CB 0.533 33.156 32.600 0.038 0.000 1.601 418 M HN 0.867 nan 8.290 nan 0.000 0.459 419 G N 2.483 111.300 108.800 0.029 0.000 2.569 419 G HA2 0.672 5.093 3.960 0.768 0.000 0.300 419 G HA3 0.672 5.093 3.960 0.768 0.000 0.300 419 G C -1.644 173.433 174.900 0.295 0.000 1.269 419 G CA -0.281 44.964 45.100 0.242 0.000 0.959 419 G HN 0.543 nan 8.290 nan 0.000 0.478 420 D N -1.437 119.088 120.400 0.209 0.000 2.579 420 D HA 0.303 5.404 4.640 0.768 0.000 0.257 420 D C -0.414 175.890 176.300 0.006 0.000 1.176 420 D CA -0.673 53.361 54.000 0.056 0.000 0.914 420 D CB 2.170 42.967 40.800 -0.005 0.000 1.431 420 D HN 0.133 nan 8.370 nan 0.000 0.454 421 N N 0.678 119.317 118.700 -0.101 0.000 2.376 421 N HA 0.175 5.376 4.740 0.768 0.000 0.249 421 N C -1.089 174.320 175.510 -0.168 0.000 1.140 421 N CA 0.098 53.114 53.050 -0.057 0.000 0.870 421 N CB 0.195 38.673 38.487 -0.015 0.000 1.124 421 N HN 0.067 nan 8.380 nan 0.000 0.505 422 K N -0.751 119.459 120.400 -0.316 0.000 2.589 422 K HA 0.296 5.077 4.320 0.768 0.000 0.265 422 K C -1.237 174.987 176.600 -0.626 0.000 0.935 422 K CA -0.432 55.512 56.287 -0.571 0.000 0.850 422 K CB 1.410 33.216 32.500 -1.156 0.000 1.372 422 K HN -0.231 nan 8.250 nan 0.000 0.420 423 S N 2.092 117.518 115.700 -0.458 0.000 2.474 423 S HA 0.541 5.472 4.470 0.768 0.000 0.320 423 S C -1.048 173.508 174.600 -0.074 0.000 1.067 423 S CA -0.794 57.227 58.200 -0.299 0.000 1.127 423 S CB 0.208 63.306 63.200 -0.170 0.000 0.971 423 S HN 0.264 nan 8.310 nan 0.000 0.472 424 W N 1.079 122.245 121.300 -0.223 0.000 2.785 424 W HA 0.360 5.482 4.660 0.770 0.000 0.333 424 W C 0.060 176.551 176.519 -0.046 0.000 1.062 424 W CA -2.241 55.020 57.345 -0.140 0.000 1.233 424 W CB 0.338 29.633 29.460 -0.275 0.000 1.413 424 W HN 0.712 nan 8.180 nan 0.000 0.489 425 W N 1.130 122.595 121.300 0.275 0.000 2.321 425 W HA -0.266 4.856 4.660 0.770 0.000 0.306 425 W C 2.580 179.280 176.519 0.302 0.000 1.217 425 W CA 2.909 60.410 57.345 0.260 0.000 1.257 425 W CB -0.898 28.684 29.460 0.204 0.000 1.145 425 W HN 0.377 nan 8.180 nan 0.000 0.509 426 S N -1.185 114.808 115.700 0.489 0.000 2.440 426 S HA -0.256 4.675 4.470 0.768 0.000 0.238 426 S C 1.470 176.357 174.600 0.477 0.000 1.010 426 S CA 1.628 60.076 58.200 0.412 0.000 0.972 426 S CB -0.690 62.702 63.200 0.320 0.000 0.774 426 S HN 0.313 nan 8.310 nan 0.000 0.501 427 H N 0.993 120.251 119.070 0.314 0.000 2.502 427 H HA 0.338 5.355 4.556 0.769 0.000 0.283 427 H C 1.790 177.240 175.328 0.203 0.000 1.015 427 H CA 0.492 56.678 56.048 0.230 0.000 1.298 427 H CB -0.440 29.427 29.762 0.174 0.000 1.411 427 H HN 0.439 nan 8.280 nan 0.000 0.556 428 I N -0.398 120.383 120.570 0.351 0.000 2.142 428 I HA -0.267 4.364 4.170 0.768 0.000 0.240 428 I C 2.293 178.478 176.117 0.113 0.000 1.078 428 I CA 0.884 62.362 61.300 0.296 0.000 1.343 428 I CB -0.246 37.966 38.000 0.352 0.000 1.046 428 I HN 0.166 nan 8.210 nan 0.000 0.405 429 L N 0.502 121.724 121.223 -0.002 0.000 2.013 429 L HA -0.248 4.553 4.340 0.768 0.000 0.212 429 L C 2.299 179.116 176.870 -0.088 0.000 1.073 429 L CA 1.793 56.497 54.840 -0.227 0.000 0.753 429 L CB -0.726 41.122 42.059 -0.353 0.000 0.890 429 L HN 0.204 nan 8.230 nan 0.000 0.432 430 L N -0.589 120.643 121.223 0.015 0.000 1.990 430 L HA -0.338 4.463 4.340 0.768 0.000 0.213 430 L C 2.227 179.074 176.870 -0.039 0.000 1.072 430 L CA 2.476 57.310 54.840 -0.010 0.000 0.755 430 L CB -0.484 41.556 42.059 -0.032 0.000 0.889 430 L HN 0.491 nan 8.230 nan 0.000 0.432 431 N N -0.583 118.116 118.700 -0.001 0.000 2.166 431 N HA -0.223 4.978 4.740 0.768 0.000 0.186 431 N C 1.846 177.318 175.510 -0.063 0.000 1.019 431 N CA 0.763 53.812 53.050 -0.001 0.000 0.856 431 N CB -0.048 38.497 38.487 0.098 0.000 0.993 431 N HN 0.288 nan 8.380 nan 0.000 0.426 432 L N 1.740 122.914 121.223 -0.081 0.000 1.971 432 L HA -0.219 4.582 4.340 0.768 0.000 0.215 432 L C 1.657 178.416 176.870 -0.185 0.000 1.072 432 L CA 1.979 56.721 54.840 -0.164 0.000 0.758 432 L CB -0.442 41.528 42.059 -0.148 0.000 0.889 432 L HN 0.165 nan 8.230 nan 0.000 0.433 433 K N -0.901 119.421 120.400 -0.129 0.000 2.097 433 K HA -0.159 4.622 4.320 0.768 0.000 0.205 433 K C 2.087 178.635 176.600 -0.088 0.000 1.050 433 K CA 1.327 57.551 56.287 -0.105 0.000 0.938 433 K CB -0.114 32.342 32.500 -0.073 0.000 0.718 433 K HN 0.311 nan 8.250 nan 0.000 0.442 434 M N 0.651 120.206 119.600 -0.075 0.000 2.149 434 M HA -0.192 4.749 4.480 0.768 0.000 0.261 434 M C 1.881 178.161 176.300 -0.035 0.000 1.064 434 M CA 1.431 56.704 55.300 -0.045 0.000 1.102 434 M CB -0.292 32.286 32.600 -0.036 0.000 1.369 434 M HN 0.158 nan 8.290 nan 0.000 0.408 435 L N 0.091 121.258 121.223 -0.092 0.000 1.978 435 L HA -0.236 4.564 4.340 0.768 0.000 0.218 435 L C -0.477 176.418 176.870 0.042 0.000 1.075 435 L CA 1.849 56.644 54.840 -0.075 0.000 0.767 435 L CB -2.442 39.363 42.059 -0.424 0.000 0.890 435 L HN 0.205 nan 8.230 nan 0.000 0.434 436 P HA -0.101 nan 4.420 nan 0.000 0.217 436 P C 1.598 178.902 177.300 0.008 0.000 1.150 436 P CA 1.446 64.536 63.100 -0.017 0.000 0.832 436 P CB 0.024 31.619 31.700 -0.174 0.000 0.787 437 S N -0.106 115.600 115.700 0.010 0.000 2.402 437 S HA -0.058 4.873 4.470 0.768 0.000 0.229 437 S C 2.011 176.685 174.600 0.123 0.000 1.021 437 S CA 0.924 59.157 58.200 0.054 0.000 0.974 437 S CB -1.011 62.203 63.200 0.022 0.000 0.800 437 S HN 0.111 nan 8.310 nan 0.000 0.484 438 L N 1.722 123.026 121.223 0.134 0.000 2.072 438 L HA -0.058 4.743 4.340 0.768 0.000 0.205 438 L C 2.374 179.383 176.870 0.232 0.000 1.079 438 L CA 0.891 55.849 54.840 0.197 0.000 0.752 438 L CB -0.497 41.674 42.059 0.188 0.000 0.906 438 L HN 0.313 nan 8.230 nan 0.000 0.436 439 N N -0.163 118.655 118.700 0.196 0.000 2.149 439 N HA -0.205 4.996 4.740 0.768 0.000 0.188 439 N C 1.916 177.517 175.510 0.153 0.000 1.019 439 N CA 1.503 54.655 53.050 0.169 0.000 0.857 439 N CB -0.114 38.489 38.487 0.192 0.000 0.997 439 N HN 0.363 nan 8.380 nan 0.000 0.426 440 M N -0.084 119.634 119.600 0.197 0.000 2.149 440 M HA -0.148 4.793 4.480 0.768 0.000 0.261 440 M C 1.677 178.153 176.300 0.294 0.000 1.064 440 M CA 1.181 56.660 55.300 0.299 0.000 1.102 440 M CB -0.029 32.767 32.600 0.326 0.000 1.369 440 M HN 0.196 nan 8.290 nan 0.000 0.408 441 C N -0.140 119.278 119.300 0.197 0.000 2.780 441 C HA 0.443 5.364 4.460 0.768 0.000 0.287 441 C C 1.606 176.408 174.990 -0.314 0.000 1.288 441 C CA 0.088 59.145 59.018 0.065 0.000 1.713 441 C CB -0.959 26.857 27.740 0.127 0.000 1.955 441 C HN 0.856 nan 8.230 nan 0.000 0.613 442 G N 0.468 109.117 108.800 -0.251 0.000 2.176 442 G HA2 -0.225 4.196 3.960 0.768 0.000 0.232 442 G HA3 -0.225 4.196 3.960 0.768 0.000 0.232 442 G C -0.159 174.543 174.900 -0.331 0.000 0.986 442 G CA -0.462 44.380 45.100 -0.430 0.000 0.643 442 G HN 0.437 nan 8.290 nan 0.000 0.522 443 F N 1.401 121.353 119.950 0.003 0.000 2.375 443 F HA 0.670 5.655 4.527 0.764 0.000 0.362 443 F C 1.663 177.524 175.800 0.103 0.000 1.129 443 F CA -0.332 57.721 58.000 0.088 0.000 1.154 443 F CB 1.012 40.043 39.000 0.052 0.000 1.205 443 F HN -0.008 nan 8.300 nan 0.000 0.513 444 M N 1.550 121.301 119.600 0.252 0.000 2.858 444 M HA 0.059 5.000 4.480 0.768 0.000 0.255 444 M C 0.129 176.603 176.300 0.291 0.000 1.336 444 M CA 0.297 55.687 55.300 0.149 0.000 1.220 444 M CB 0.195 32.684 32.600 -0.186 0.000 1.252 444 M HN 0.341 nan 8.290 nan 0.000 0.538 445 Y N 3.959 124.468 120.300 0.349 0.000 2.620 445 Y HA 0.180 5.202 4.550 0.787 0.000 0.352 445 Y C -0.070 175.920 175.900 0.151 0.000 1.140 445 Y CA -0.186 58.049 58.100 0.226 0.000 1.529 445 Y CB -0.219 38.418 38.460 0.295 0.000 1.321 445 Y HN 0.091 nan 8.280 nan 0.000 0.501 446 T N 1.490 115.927 114.554 -0.194 0.000 2.903 446 T HA 0.926 5.736 4.350 0.768 0.000 0.299 446 T C -0.119 174.416 174.700 -0.276 0.000 1.093 446 T CA -0.403 61.601 62.100 -0.160 0.000 1.002 446 T CB 1.883 70.777 68.868 0.044 0.000 1.127 446 T HN 0.675 nan 8.240 nan 0.000 0.488 447 G N -0.280 108.388 108.800 -0.220 0.000 2.782 447 G HA2 0.882 5.303 3.960 0.768 0.000 0.304 447 G HA3 0.882 5.303 3.960 0.768 0.000 0.304 447 G C -1.582 173.328 174.900 0.015 0.000 1.315 447 G CA -0.498 44.516 45.100 -0.143 0.000 0.791 447 G HN 1.282 nan 8.290 nan 0.000 0.519 448 A N -0.803 122.082 122.820 0.108 0.000 2.594 448 A HA 0.812 5.593 4.320 0.768 0.000 0.291 448 A C -1.836 176.053 177.584 0.507 0.000 1.105 448 A CA -0.544 51.670 52.037 0.295 0.000 0.694 448 A CB 2.043 21.219 19.000 0.293 0.000 1.291 448 A HN 0.472 nan 8.150 nan 0.000 0.410 449 D N -0.525 120.157 120.400 0.470 0.000 2.374 449 D HA 0.555 5.656 4.640 0.768 0.000 0.239 449 D C -1.301 175.007 176.300 0.014 0.000 0.991 449 D CA -0.163 54.054 54.000 0.363 0.000 0.960 449 D CB 2.014 43.035 40.800 0.368 0.000 1.284 449 D HN 0.255 nan 8.370 nan 0.000 0.512 450 L N 1.875 122.980 121.223 -0.196 0.000 2.504 450 L HA 0.371 5.172 4.340 0.768 0.000 0.249 450 L C 1.366 178.155 176.870 -0.134 0.000 1.120 450 L CA -0.148 54.460 54.840 -0.387 0.000 0.997 450 L CB 0.588 42.239 42.059 -0.680 0.000 1.349 450 L HN 0.587 nan 8.230 nan 0.000 0.439 451 G N 2.055 110.821 108.800 -0.056 0.000 2.912 451 G HA2 0.142 4.563 3.960 0.768 0.000 0.214 451 G HA3 0.142 4.563 3.960 0.768 0.000 0.214 451 G C 0.744 175.636 174.900 -0.013 0.000 1.341 451 G CA 0.774 45.882 45.100 0.013 0.000 0.794 451 G HN 1.185 nan 8.290 nan 0.000 0.691 456 D N -0.043 120.381 120.400 0.040 0.000 2.424 456 D HA 0.086 5.187 4.640 0.768 0.000 0.220 456 D C -0.099 176.244 176.300 0.071 0.000 1.150 456 D CA 0.107 54.150 54.000 0.071 0.000 0.831 456 D CB 0.736 41.596 40.800 0.099 0.000 0.981 456 D HN 0.117 nan 8.370 nan 0.000 0.500 457 T N 1.996 116.572 114.554 0.037 0.000 2.848 457 T HA 0.115 4.926 4.350 0.768 0.000 0.283 457 T C 0.888 175.635 174.700 0.079 0.000 0.919 457 T CA -0.068 62.049 62.100 0.028 0.000 1.071 457 T CB 0.158 69.028 68.868 0.003 0.000 0.912 457 T HN 0.137 nan 8.240 nan 0.000 0.570 458 T N 1.344 115.969 114.554 0.118 0.000 2.868 458 T HA 0.290 5.101 4.350 0.768 0.000 0.292 458 T C 1.505 176.316 174.700 0.185 0.000 1.028 458 T CA -0.972 61.225 62.100 0.162 0.000 1.059 458 T CB 1.296 70.294 68.868 0.217 0.000 0.991 458 T HN 0.467 nan 8.240 nan 0.000 0.531 459 R N 1.032 121.663 120.500 0.217 0.000 2.133 459 R HA -0.214 4.587 4.340 0.768 0.000 0.245 459 R C 2.102 178.548 176.300 0.243 0.000 1.137 459 R CA 2.577 58.850 56.100 0.289 0.000 0.947 459 R CB -0.583 29.872 30.300 0.259 0.000 0.865 459 R HN 0.948 nan 8.270 nan 0.000 0.437 460 D N 0.355 120.893 120.400 0.230 0.000 2.117 460 D HA -0.207 4.894 4.640 0.768 0.000 0.197 460 D C 1.934 178.358 176.300 0.207 0.000 0.987 460 D CA 0.791 54.953 54.000 0.269 0.000 0.829 460 D CB -0.673 40.359 40.800 0.387 0.000 0.961 460 D HN 0.202 nan 8.370 nan 0.000 0.460 461 L N 0.173 121.442 121.223 0.076 0.000 2.013 461 L HA -0.094 4.707 4.340 0.768 0.000 0.212 461 L C 2.358 179.140 176.870 -0.148 0.000 1.073 461 L CA 1.348 55.906 54.840 -0.469 0.000 0.753 461 L CB -1.218 40.552 42.059 -0.482 0.000 0.890 461 L HN 0.160 nan 8.230 nan 0.000 0.432 462 L N -1.077 120.185 121.223 0.065 0.000 2.042 462 L HA -0.207 4.594 4.340 0.768 0.000 0.210 462 L C 2.373 179.405 176.870 0.270 0.000 1.076 462 L CA 1.752 56.725 54.840 0.221 0.000 0.749 462 L CB -0.556 41.680 42.059 0.294 0.000 0.893 462 L HN 0.293 nan 8.230 nan 0.000 0.432 463 L N -1.013 120.332 121.223 0.204 0.000 1.994 463 L HA -0.191 4.610 4.340 0.768 0.000 0.208 463 L C 2.800 179.757 176.870 0.145 0.000 1.071 463 L CA 1.073 55.992 54.840 0.133 0.000 0.745 463 L CB -0.662 41.409 42.059 0.021 0.000 0.892 463 L HN 0.210 nan 8.230 nan 0.000 0.431 464 R N -0.537 120.057 120.500 0.156 0.000 2.092 464 R HA -0.150 4.651 4.340 0.768 0.000 0.231 464 R C 2.154 178.574 176.300 0.201 0.000 1.119 464 R CA 1.240 57.456 56.100 0.193 0.000 0.970 464 R CB -1.026 29.433 30.300 0.264 0.000 0.864 464 R HN 0.260 nan 8.270 nan 0.000 0.440 465 F N 1.669 121.627 119.950 0.014 0.000 2.095 465 F HA -0.152 4.836 4.527 0.767 0.000 0.298 465 F C 2.043 177.909 175.800 0.110 0.000 1.104 465 F CA 1.353 59.381 58.000 0.046 0.000 1.232 465 F CB -0.392 38.612 39.000 0.006 0.000 0.987 465 F HN -0.121 nan 8.300 nan 0.000 0.475 466 L N -0.124 121.135 121.223 0.061 0.000 2.131 466 L HA -0.150 4.651 4.340 0.768 0.000 0.210 466 L C 2.663 179.515 176.870 -0.030 0.000 1.092 466 L CA 1.057 55.882 54.840 -0.024 0.000 0.759 466 L CB -1.094 41.022 42.059 0.095 0.000 0.903 466 L HN 0.227 nan 8.230 nan 0.000 0.435 467 A N -0.435 122.415 122.820 0.050 0.000 2.121 467 A HA -0.134 4.647 4.320 0.768 0.000 0.218 467 A C 2.147 179.860 177.584 0.216 0.000 1.154 467 A CA 1.215 53.318 52.037 0.111 0.000 0.679 467 A CB -0.341 18.755 19.000 0.160 0.000 0.795 467 A HN 0.363 nan 8.150 nan 0.000 0.458 468 L N -0.897 120.407 121.223 0.134 0.000 2.145 468 L HA 0.253 5.054 4.340 0.768 0.000 0.201 468 L C 2.335 179.289 176.870 0.139 0.000 1.075 468 L CA 1.872 56.830 54.840 0.197 0.000 0.773 468 L CB -0.959 41.144 42.059 0.075 0.000 0.936 468 L HN 0.236 nan 8.230 nan 0.000 0.451 469 G N -0.284 108.443 108.800 -0.121 0.000 2.503 469 G HA2 -0.278 4.143 3.960 0.768 0.000 0.221 469 G HA3 -0.278 4.143 3.960 0.768 0.000 0.221 469 G C 1.581 176.456 174.900 -0.041 0.000 1.131 469 G CA 1.258 46.265 45.100 -0.154 0.000 0.756 469 G HN 0.313 nan 8.290 nan 0.000 0.572 470 V N 0.048 119.908 119.914 -0.089 0.000 2.357 470 V HA -0.254 4.327 4.120 0.768 0.000 0.257 470 V C 2.372 178.276 176.094 -0.317 0.000 1.082 470 V CA 2.137 64.269 62.300 -0.280 0.000 1.078 470 V CB -0.477 31.007 31.823 -0.565 0.000 0.663 470 V HN 0.440 nan 8.190 nan 0.000 0.455 471 F N -0.362 119.689 119.950 0.169 0.000 2.746 471 F HA 0.142 5.129 4.527 0.767 0.000 0.297 471 F C 1.404 177.457 175.800 0.421 0.000 1.113 471 F CA 0.282 58.471 58.000 0.314 0.000 1.367 471 F CB -0.413 38.849 39.000 0.437 0.000 1.111 471 F HN 0.139 nan 8.300 nan 0.000 0.590 472 T N -1.884 112.908 114.554 0.397 0.000 2.817 472 T HA 0.226 5.037 4.350 0.768 0.000 0.293 472 T C -1.950 172.708 174.700 -0.070 0.000 0.964 472 T CA -1.947 60.312 62.100 0.265 0.000 1.085 472 T CB 1.772 70.698 68.868 0.098 0.000 0.921 472 T HN -0.219 nan 8.240 nan 0.000 0.502 473 P HA -0.053 nan 4.420 nan 0.000 0.214 473 P C 0.597 177.352 177.300 -0.908 0.000 1.163 473 P CA 0.416 63.117 63.100 -0.665 0.000 0.889 473 P CB -0.062 31.277 31.700 -0.602 0.000 0.790 474 L N 0.079 120.588 121.223 -1.191 0.000 2.361 474 L HA 0.271 5.072 4.340 0.768 0.000 0.278 474 L C -0.214 176.404 176.870 -0.420 0.000 1.113 474 L CA 0.460 54.734 54.840 -0.942 0.000 0.849 474 L CB -0.557 40.875 42.059 -1.044 0.000 1.155 474 L HN -0.093 nan 8.230 nan 0.000 0.452 475 M N 7.474 126.932 119.600 -0.236 0.000 2.067 475 M HA 0.480 5.421 4.480 0.768 0.000 0.286 475 M C -1.033 175.233 176.300 -0.057 0.000 0.922 475 M CA -0.487 54.764 55.300 -0.082 0.000 0.937 475 M CB 0.759 33.380 32.600 0.034 0.000 1.550 475 M HN 0.904 nan 8.290 nan 0.000 0.433 476 R N 1.515 121.956 120.500 -0.098 0.000 2.885 476 R HA 0.740 5.541 4.340 0.768 0.000 0.260 476 R C -1.670 174.647 176.300 0.028 0.000 1.107 476 R CA -0.879 55.074 56.100 -0.245 0.000 0.978 476 R CB 1.185 31.274 30.300 -0.352 0.000 1.227 476 R HN 0.460 nan 8.270 nan 0.000 0.473 477 D N 0.256 120.627 120.400 -0.047 0.000 2.375 477 D HA 0.216 5.317 4.640 0.768 0.000 0.259 477 D C -1.699 174.674 176.300 0.122 0.000 1.235 477 D CA -0.424 53.706 54.000 0.218 0.000 0.924 477 D CB 0.602 41.681 40.800 0.465 0.000 1.143 477 D HN 0.636 nan 8.370 nan 0.000 0.529 478 H N 2.093 121.162 119.070 -0.001 0.000 2.800 478 H HA 0.764 5.783 4.556 0.772 0.000 0.322 478 H C -1.280 174.071 175.328 0.039 0.000 0.979 478 H CA -0.397 55.626 56.048 -0.042 0.000 1.277 478 H CB 1.029 30.635 29.762 -0.260 0.000 1.484 478 H HN 0.407 nan 8.280 nan 0.000 0.512 479 A N 3.213 125.867 122.820 -0.276 0.000 2.524 479 A HA 0.837 5.618 4.320 0.768 0.000 0.289 479 A C -1.010 176.486 177.584 -0.146 0.000 1.248 479 A CA -0.406 51.562 52.037 -0.114 0.000 0.712 479 A CB 0.646 19.621 19.000 -0.042 0.000 1.312 479 A HN 0.814 nan 8.150 nan 0.000 0.441 480 A N -0.063 122.747 122.820 -0.016 0.000 2.366 480 A HA 0.587 5.368 4.320 0.768 0.000 0.272 480 A C 0.088 177.602 177.584 -0.116 0.000 1.135 480 A CA 0.060 52.071 52.037 -0.042 0.000 0.804 480 A CB 0.120 19.119 19.000 -0.001 0.000 1.064 480 A HN 0.818 nan 8.150 nan 0.000 0.499 493 N N 1.597 120.451 118.700 0.257 0.000 2.759 493 N HA -0.252 4.949 4.740 0.768 0.000 0.277 493 N C 1.310 177.041 175.510 0.368 0.000 0.982 493 N CA 0.667 53.849 53.050 0.220 0.000 0.833 493 N CB -0.948 37.587 38.487 0.079 0.000 0.927 493 N HN 0.463 nan 8.380 nan 0.000 0.573 494 I N 0.478 121.275 120.570 0.379 0.000 2.290 494 I HA -0.370 4.261 4.170 0.768 0.000 0.253 494 I C 2.304 178.631 176.117 0.350 0.000 1.112 494 I CA 1.983 63.533 61.300 0.417 0.000 1.377 494 I CB -0.011 38.068 38.000 0.132 0.000 1.060 494 I HN 0.429 nan 8.210 nan 0.000 0.428 495 E N 0.116 120.404 120.200 0.147 0.000 2.371 495 E HA -0.200 4.611 4.350 0.768 0.000 0.194 495 E C 1.150 177.741 176.600 -0.015 0.000 1.012 495 E CA 0.982 57.417 56.400 0.059 0.000 0.860 495 E CB -0.434 29.283 29.700 0.029 0.000 0.811 495 E HN 0.570 nan 8.360 nan 0.000 0.502 496 D N 0.683 121.002 120.400 -0.135 0.000 2.149 496 D HA -0.062 5.038 4.640 0.768 0.000 0.201 496 D C 1.711 177.847 176.300 -0.273 0.000 0.972 496 D CA 0.808 54.644 54.000 -0.273 0.000 0.835 496 D CB -0.434 40.096 40.800 -0.449 0.000 0.966 496 D HN 0.265 nan 8.370 nan 0.000 0.476 497 F N 1.026 120.967 119.950 -0.014 0.000 2.134 497 F HA -0.036 4.951 4.527 0.768 0.000 0.299 497 F C 2.550 178.303 175.800 -0.079 0.000 1.097 497 F CA 0.660 58.637 58.000 -0.038 0.000 1.264 497 F CB -0.414 38.565 39.000 -0.035 0.000 1.001 497 F HN -0.146 nan 8.300 nan 0.000 0.479 498 R N 0.651 121.212 120.500 0.102 0.000 2.081 498 R HA -0.136 4.665 4.340 0.768 0.000 0.235 498 R C 2.152 178.444 176.300 -0.013 0.000 1.131 498 R CA 1.728 57.841 56.100 0.021 0.000 0.960 498 R CB -0.382 29.934 30.300 0.027 0.000 0.856 498 R HN 0.223 nan 8.270 nan 0.000 0.436 499 S N 0.098 115.790 115.700 -0.014 0.000 2.399 499 S HA -0.088 4.843 4.470 0.768 0.000 0.231 499 S C 1.926 176.510 174.600 -0.027 0.000 1.022 499 S CA 1.252 59.444 58.200 -0.012 0.000 0.983 499 S CB -0.049 63.143 63.200 -0.013 0.000 0.803 499 S HN 0.150 nan 8.310 nan 0.000 0.480 500 V N 2.108 121.996 119.914 -0.043 0.000 2.379 500 V HA -0.080 4.501 4.120 0.768 0.000 0.245 500 V C 2.116 178.151 176.094 -0.099 0.000 1.044 500 V CA 1.097 63.359 62.300 -0.063 0.000 1.036 500 V CB -0.552 31.246 31.823 -0.042 0.000 0.664 500 V HN 0.415 nan 8.190 nan 0.000 0.453 501 I N 0.631 121.136 120.570 -0.109 0.000 2.353 501 I HA -0.107 4.524 4.170 0.768 0.000 0.248 501 I C 2.257 178.376 176.117 0.004 0.000 1.119 501 I CA 1.052 62.286 61.300 -0.109 0.000 1.417 501 I CB -1.734 36.125 38.000 -0.235 0.000 1.078 501 I HN 0.334 nan 8.210 nan 0.000 0.421 502 N N 1.948 120.626 118.700 -0.037 0.000 2.037 502 N HA -0.193 5.008 4.740 0.768 0.000 0.196 502 N C 1.996 177.478 175.510 -0.046 0.000 1.034 502 N CA 2.075 55.118 53.050 -0.011 0.000 0.861 502 N CB -0.534 37.951 38.487 -0.004 0.000 1.039 502 N HN 0.391 nan 8.380 nan 0.000 0.427 503 A N 1.053 123.771 122.820 -0.169 0.000 1.917 503 A HA -0.216 4.565 4.320 0.768 0.000 0.219 503 A C 2.250 179.557 177.584 -0.462 0.000 1.182 503 A CA 2.080 53.809 52.037 -0.513 0.000 0.633 503 A CB -0.619 18.044 19.000 -0.562 0.000 0.819 503 A HN 0.272 nan 8.150 nan 0.000 0.448 504 R N -1.015 119.337 120.500 -0.247 0.000 2.115 504 R HA -0.213 4.588 4.340 0.768 0.000 0.239 504 R C 1.796 178.038 176.300 -0.096 0.000 1.133 504 R CA 2.440 58.438 56.100 -0.170 0.000 0.935 504 R CB -1.180 29.105 30.300 -0.025 0.000 0.853 504 R HN 0.549 nan 8.270 nan 0.000 0.433 505 Y N 0.227 120.472 120.300 -0.091 0.000 2.373 505 Y HA 0.033 5.044 4.550 0.770 0.000 0.293 505 Y C 2.252 178.139 175.900 -0.021 0.000 1.129 505 Y CA 1.369 59.455 58.100 -0.023 0.000 1.226 505 Y CB -0.038 38.423 38.460 0.001 0.000 1.000 505 Y HN 0.089 nan 8.280 nan 0.000 0.549 506 R N -0.456 120.086 120.500 0.070 0.000 2.189 506 R HA -0.088 4.713 4.340 0.768 0.000 0.223 506 R C 1.403 177.733 176.300 0.050 0.000 1.092 506 R CA 1.100 57.237 56.100 0.062 0.000 0.989 506 R CB -0.244 30.105 30.300 0.082 0.000 0.876 506 R HN 0.351 nan 8.270 nan 0.000 0.457 507 L N -0.399 120.807 121.223 -0.029 0.000 2.616 507 L HA 0.049 4.850 4.340 0.768 0.000 0.229 507 L C 1.832 178.754 176.870 0.087 0.000 1.110 507 L CA -0.172 54.697 54.840 0.048 0.000 0.884 507 L CB 0.436 42.472 42.059 -0.039 0.000 1.115 507 L HN -0.074 nan 8.230 nan 0.000 0.481 508 V N 1.181 121.103 119.914 0.013 0.000 2.252 508 V HA -0.219 4.361 4.120 0.768 0.000 0.249 508 V C -0.131 175.993 176.094 0.051 0.000 1.056 508 V CA 2.264 64.564 62.300 -0.000 0.000 1.022 508 V CB -1.440 30.300 31.823 -0.138 0.000 0.641 508 V HN 0.329 nan 8.190 nan 0.000 0.445 509 P HA -0.231 nan 4.420 nan 0.000 0.216 509 P C 1.566 179.002 177.300 0.227 0.000 1.154 509 P CA 1.986 65.170 63.100 0.141 0.000 0.865 509 P CB -0.151 31.632 31.700 0.139 0.000 0.789 510 Y N 0.097 120.462 120.300 0.108 0.000 2.206 510 Y HA -0.064 4.949 4.550 0.772 0.000 0.292 510 Y C 2.078 178.079 175.900 0.169 0.000 1.123 510 Y CA 1.162 59.328 58.100 0.111 0.000 1.142 510 Y CB -1.210 37.247 38.460 -0.004 0.000 1.006 510 Y HN -0.246 nan 8.280 nan 0.000 0.518 511 L N -0.666 120.498 121.223 -0.099 0.000 2.013 511 L HA -0.272 4.529 4.340 0.768 0.000 0.212 511 L C 2.397 179.280 176.870 0.021 0.000 1.073 511 L CA 2.081 56.894 54.840 -0.045 0.000 0.753 511 L CB -1.118 41.092 42.059 0.252 0.000 0.890 511 L HN 0.311 nan 8.230 nan 0.000 0.432 512 Y N 0.331 120.463 120.300 -0.281 0.000 2.128 512 Y HA -0.324 4.682 4.550 0.761 0.000 0.284 512 Y C 3.023 178.767 175.900 -0.260 0.000 1.154 512 Y CA 1.688 59.400 58.100 -0.647 0.000 1.149 512 Y CB -0.482 37.581 38.460 -0.661 0.000 0.976 512 Y HN 0.140 nan 8.280 nan 0.000 0.505 513 S N -0.313 115.317 115.700 -0.116 0.000 2.370 513 S HA -0.189 4.742 4.470 0.768 0.000 0.226 513 S C 1.947 176.493 174.600 -0.090 0.000 1.033 513 S CA 1.599 59.775 58.200 -0.040 0.000 1.011 513 S CB -0.391 62.969 63.200 0.266 0.000 0.852 513 S HN 0.539 nan 8.310 nan 0.000 0.457 514 E N -0.124 120.020 120.200 -0.092 0.000 2.204 514 E HA -0.056 4.755 4.350 0.768 0.000 0.194 514 E C 1.553 178.161 176.600 0.013 0.000 0.989 514 E CA 0.822 57.168 56.400 -0.089 0.000 0.824 514 E CB -0.455 29.040 29.700 -0.342 0.000 0.756 514 E HN 0.847 nan 8.360 nan 0.000 0.477 515 Y N 0.125 120.380 120.300 -0.075 0.000 2.206 515 Y HA -0.163 4.843 4.550 0.761 0.000 0.292 515 Y C 2.121 177.840 175.900 -0.301 0.000 1.123 515 Y CA 1.053 59.131 58.100 -0.037 0.000 1.142 515 Y CB 0.079 38.529 38.460 -0.017 0.000 1.006 515 Y HN -0.081 nan 8.280 nan 0.000 0.518 516 M N 0.981 120.403 119.600 -0.297 0.000 2.065 516 M HA -0.237 4.704 4.480 0.768 0.000 0.259 516 M C 1.932 177.906 176.300 -0.542 0.000 1.071 516 M CA 1.840 56.732 55.300 -0.679 0.000 1.109 516 M CB -1.300 30.419 32.600 -1.470 0.000 1.313 516 M HN 0.219 nan 8.290 nan 0.000 0.408 517 K N 0.160 120.331 120.400 -0.383 0.000 2.127 517 K HA -0.153 4.628 4.320 0.768 0.000 0.208 517 K C 2.080 178.592 176.600 -0.145 0.000 1.047 517 K CA 1.692 57.891 56.287 -0.147 0.000 0.927 517 K CB -0.453 32.041 32.500 -0.010 0.000 0.716 517 K HN 0.366 nan 8.250 nan 0.000 0.450 518 A N 1.575 124.292 122.820 -0.171 0.000 1.854 518 A HA -0.014 4.767 4.320 0.768 0.000 0.214 518 A C 2.448 179.894 177.584 -0.230 0.000 1.192 518 A CA 1.539 53.477 52.037 -0.164 0.000 0.611 518 A CB -0.717 18.198 19.000 -0.143 0.000 0.832 518 A HN 0.310 nan 8.150 nan 0.000 0.442 519 A N -0.152 122.461 122.820 -0.345 0.000 1.902 519 A HA -0.051 4.730 4.320 0.768 0.000 0.217 519 A C 2.066 179.483 177.584 -0.278 0.000 1.181 519 A CA 1.580 53.409 52.037 -0.345 0.000 0.623 519 A CB -0.647 18.123 19.000 -0.383 0.000 0.818 519 A HN 0.477 nan 8.150 nan 0.000 0.443 520 L N -0.670 120.380 121.223 -0.288 0.000 2.478 520 L HA 0.008 4.809 4.340 0.768 0.000 0.223 520 L C 1.405 178.189 176.870 -0.142 0.000 1.140 520 L CA 0.515 55.217 54.840 -0.230 0.000 0.842 520 L CB -0.282 41.647 42.059 -0.216 0.000 0.953 520 L HN 0.365 nan 8.230 nan 0.000 0.452 521 N N -0.446 118.171 118.700 -0.137 0.000 2.214 521 N HA -0.011 5.190 4.740 0.768 0.000 0.214 521 N C -0.505 174.937 175.510 -0.114 0.000 1.132 521 N CA 0.109 53.095 53.050 -0.107 0.000 0.856 521 N CB 0.495 38.929 38.487 -0.087 0.000 1.020 521 N HN 0.095 nan 8.380 nan 0.000 0.509 522 D N 1.399 121.720 120.400 -0.132 0.000 2.708 522 D HA -0.188 4.913 4.640 0.768 0.000 0.236 522 D C -0.345 175.896 176.300 -0.098 0.000 1.146 522 D CA 1.297 55.219 54.000 -0.130 0.000 0.662 522 D CB -0.721 39.996 40.800 -0.138 0.000 1.059 522 D HN 0.376 nan 8.370 nan 0.000 0.428 523 D N -0.928 119.425 120.400 -0.078 0.000 2.467 523 D HA 0.539 5.640 4.640 0.768 0.000 0.245 523 D C 0.339 176.657 176.300 0.030 0.000 1.038 523 D CA -0.525 53.473 54.000 -0.003 0.000 1.038 523 D CB 1.068 41.869 40.800 0.002 0.000 1.278 523 D HN -0.075 nan 8.370 nan 0.000 0.564 524 M N 1.427 121.109 119.600 0.138 0.000 2.367 524 M HA 0.197 5.138 4.480 0.768 0.000 0.339 524 M C 0.262 176.603 176.300 0.068 0.000 1.177 524 M CA -0.698 54.674 55.300 0.120 0.000 1.068 524 M CB 1.849 34.563 32.600 0.190 0.000 1.602 524 M HN 0.474 nan 8.290 nan 0.000 0.457 525 Y N 1.863 122.102 120.300 -0.100 0.000 2.134 525 Y HA 0.178 5.193 4.550 0.774 0.000 0.283 525 Y C 0.029 175.810 175.900 -0.198 0.000 1.108 525 Y CA 1.293 59.269 58.100 -0.206 0.000 1.096 525 Y CB 0.344 38.636 38.460 -0.279 0.000 1.005 525 Y HN 0.420 nan 8.280 nan 0.000 0.487 526 F N 2.211 122.234 119.950 0.121 0.000 2.396 526 F HA 0.394 5.381 4.527 0.767 0.000 0.343 526 F C -0.168 175.578 175.800 -0.091 0.000 1.104 526 F CA -0.411 57.581 58.000 -0.013 0.000 1.161 526 F CB 1.001 40.044 39.000 0.072 0.000 1.146 526 F HN -0.117 nan 8.300 nan 0.000 0.522 527 K N 3.793 124.223 120.400 0.049 0.000 2.375 527 K HA 0.492 5.273 4.320 0.768 0.000 0.249 527 K C -2.818 173.637 176.600 -0.241 0.000 0.942 527 K CA -2.083 54.086 56.287 -0.197 0.000 0.806 527 K CB 2.019 34.383 32.500 -0.227 0.000 1.227 527 K HN 0.190 nan 8.250 nan 0.000 0.430 528 P HA 0.097 nan 4.420 nan 0.000 0.275 528 P C 0.377 177.593 177.300 -0.141 0.000 1.227 528 P CA -0.416 62.492 63.100 -0.320 0.000 0.781 528 P CB 0.572 31.990 31.700 -0.471 0.000 0.906 529 L N 2.629 123.865 121.223 0.021 0.000 2.103 529 L HA -0.230 4.571 4.340 0.768 0.000 0.215 529 L C 2.558 179.563 176.870 0.225 0.000 1.080 529 L CA 2.652 57.608 54.840 0.194 0.000 0.764 529 L CB -1.581 40.618 42.059 0.234 0.000 0.890 529 L HN 0.593 nan 8.230 nan 0.000 0.435 530 G N -1.562 107.342 108.800 0.173 0.000 2.442 530 G HA2 -0.286 4.135 3.960 0.768 0.000 0.219 530 G HA3 -0.286 4.135 3.960 0.768 0.000 0.219 530 G C 1.406 176.468 174.900 0.270 0.000 1.141 530 G CA 0.564 45.816 45.100 0.255 0.000 0.763 530 G HN 0.270 nan 8.290 nan 0.000 0.554 531 F N 0.456 120.302 119.950 -0.175 0.000 2.234 531 F HA 0.052 5.039 4.527 0.767 0.000 0.299 531 F C 2.702 178.323 175.800 -0.299 0.000 1.087 531 F CA 0.006 57.813 58.000 -0.322 0.000 1.340 531 F CB -0.555 38.067 39.000 -0.630 0.000 1.031 531 F HN 0.014 nan 8.300 nan 0.000 0.500 532 V N -2.409 117.427 119.914 -0.130 0.000 2.825 532 V HA -0.134 4.447 4.120 0.768 0.000 0.246 532 V C 0.055 175.820 176.094 -0.548 0.000 1.068 532 V CA 0.918 62.968 62.300 -0.417 0.000 1.088 532 V CB -0.579 30.858 31.823 -0.644 0.000 0.733 532 V HN 0.194 nan 8.190 nan 0.000 0.468 533 Y N 0.606 120.951 120.300 0.075 0.000 2.525 533 Y HA 0.367 5.378 4.550 0.769 0.000 0.365 533 Y C -1.619 174.335 175.900 0.091 0.000 0.929 533 Y CA -2.543 55.605 58.100 0.081 0.000 1.196 533 Y CB 0.107 38.621 38.460 0.091 0.000 1.232 533 Y HN 0.206 nan 8.280 nan 0.000 0.613 534 P HA -0.096 nan 4.420 nan 0.000 0.230 534 P C 0.332 177.711 177.300 0.132 0.000 1.158 534 P CA 1.357 64.545 63.100 0.146 0.000 0.769 534 P CB 0.594 32.350 31.700 0.094 0.000 0.807 535 D N -0.956 119.524 120.400 0.133 0.000 2.379 535 D HA 0.002 5.103 4.640 0.768 0.000 0.208 535 D C 0.264 176.626 176.300 0.103 0.000 1.065 535 D CA 0.351 54.413 54.000 0.103 0.000 0.848 535 D CB -0.012 40.840 40.800 0.087 0.000 0.949 535 D HN 0.128 nan 8.370 nan 0.000 0.509 536 D N 1.393 121.877 120.400 0.140 0.000 2.365 536 D HA 0.018 5.119 4.640 0.768 0.000 0.237 536 D C 1.044 177.387 176.300 0.072 0.000 1.190 536 D CA -0.172 53.899 54.000 0.119 0.000 0.867 536 D CB 0.884 41.787 40.800 0.172 0.000 1.050 536 D HN -0.295 nan 8.370 nan 0.000 0.491 537 K N 3.473 123.886 120.400 0.022 0.000 2.432 537 K HA -0.060 4.721 4.320 0.768 0.000 0.196 537 K C 1.423 177.978 176.600 -0.074 0.000 1.038 537 K CA 0.254 56.536 56.287 -0.008 0.000 0.986 537 K CB 0.061 32.554 32.500 -0.012 0.000 0.782 537 K HN 0.457 nan 8.250 nan 0.000 0.485 538 M N 0.628 120.133 119.600 -0.160 0.000 2.134 538 M HA -0.012 4.929 4.480 0.768 0.000 0.262 538 M C 2.016 178.159 176.300 -0.263 0.000 1.076 538 M CA 1.445 56.527 55.300 -0.364 0.000 1.143 538 M CB -0.383 31.732 32.600 -0.808 0.000 1.346 538 M HN 0.078 nan 8.290 nan 0.000 0.421 539 A N 0.758 123.532 122.820 -0.077 0.000 1.917 539 A HA -0.187 4.594 4.320 0.768 0.000 0.219 539 A C 2.084 179.736 177.584 0.113 0.000 1.182 539 A CA 2.133 54.249 52.037 0.132 0.000 0.633 539 A CB -1.629 17.520 19.000 0.248 0.000 0.819 539 A HN 0.804 nan 8.150 nan 0.000 0.448 540 I N -4.538 116.091 120.570 0.100 0.000 3.083 540 I HA -0.046 4.585 4.170 0.768 0.000 0.273 540 I C 1.578 177.738 176.117 0.072 0.000 1.297 540 I CA 0.965 62.342 61.300 0.128 0.000 1.452 540 I CB -0.088 37.999 38.000 0.145 0.000 1.078 540 I HN 0.007 nan 8.210 nan 0.000 0.484 541 R N 0.905 121.415 120.500 0.016 0.000 2.335 541 R HA 0.372 5.173 4.340 0.768 0.000 0.210 541 R C 0.332 176.628 176.300 -0.007 0.000 0.892 541 R CA 0.008 56.100 56.100 -0.014 0.000 1.048 541 R CB -0.024 30.247 30.300 -0.049 0.000 1.067 541 R HN 0.221 nan 8.270 nan 0.000 0.524 542 V N 3.004 122.926 119.914 0.013 0.000 2.479 542 V HA 0.041 4.622 4.120 0.768 0.000 0.281 542 V C 1.119 177.232 176.094 0.031 0.000 1.031 542 V CA 0.579 62.899 62.300 0.033 0.000 1.038 542 V CB 0.972 32.839 31.823 0.074 0.000 0.981 542 V HN 0.235 nan 8.190 nan 0.000 0.478 543 E N 2.266 122.477 120.200 0.018 0.000 2.572 543 E HA 0.035 4.846 4.350 0.768 0.000 0.220 543 E C 0.140 176.724 176.600 -0.026 0.000 0.945 543 E CA 0.172 56.568 56.400 -0.007 0.000 1.070 543 E CB 0.601 30.291 29.700 -0.015 0.000 1.090 543 E HN 0.935 nan 8.360 nan 0.000 0.506 544 D N 0.834 121.240 120.400 0.009 0.000 2.525 544 D HA 0.066 5.167 4.640 0.768 0.000 0.229 544 D C 0.034 176.360 176.300 0.045 0.000 1.202 544 D CA -0.069 53.933 54.000 0.003 0.000 0.828 544 D CB 0.099 40.946 40.800 0.078 0.000 1.008 544 D HN -0.022 nan 8.370 nan 0.000 0.493 545 Q N -0.269 119.540 119.800 0.014 0.000 2.416 545 Q HA 0.625 5.426 4.340 0.768 0.000 0.281 545 Q C -1.068 174.924 176.000 -0.015 0.000 1.067 545 Q CA -0.773 55.035 55.803 0.008 0.000 0.809 545 Q CB 2.940 31.682 28.738 0.007 0.000 1.418 545 Q HN 0.062 nan 8.270 nan 0.000 0.411 546 L N 1.218 122.434 121.223 -0.012 0.000 2.350 546 L HA 0.617 5.417 4.340 0.768 0.000 0.260 546 L C -1.012 175.903 176.870 0.076 0.000 1.015 546 L CA -1.246 53.601 54.840 0.012 0.000 0.821 546 L CB 1.931 43.972 42.059 -0.031 0.000 1.370 546 L HN 0.443 nan 8.230 nan 0.000 0.416 547 M N 2.911 122.559 119.600 0.080 0.000 2.363 547 M HA 0.494 5.435 4.480 0.768 0.000 0.343 547 M C -0.773 175.566 176.300 0.064 0.000 1.165 547 M CA -0.359 54.983 55.300 0.070 0.000 1.046 547 M CB 1.544 34.154 32.600 0.018 0.000 1.648 547 M HN 0.383 nan 8.290 nan 0.000 0.452 548 L N 1.657 122.887 121.223 0.012 0.000 2.362 548 L HA 0.739 5.540 4.340 0.768 0.000 0.275 548 L C 0.709 177.510 176.870 -0.116 0.000 0.998 548 L CA 0.194 54.922 54.840 -0.187 0.000 0.820 548 L CB 1.581 43.508 42.059 -0.220 0.000 1.270 548 L HN 0.943 nan 8.230 nan 0.000 0.415 549 G N 3.778 112.437 108.800 -0.236 0.000 2.581 549 G HA2 -0.354 4.067 3.960 0.768 0.000 0.291 549 G HA3 -0.354 4.067 3.960 0.768 0.000 0.291 549 G C 0.290 175.212 174.900 0.037 0.000 1.277 549 G CA 0.462 45.523 45.100 -0.066 0.000 0.959 549 G HN 0.793 nan 8.290 nan 0.000 0.554 550 N N 1.286 120.060 118.700 0.124 0.000 2.275 550 N HA 0.258 5.459 4.740 0.768 0.000 0.236 550 N C 0.660 176.256 175.510 0.143 0.000 1.154 550 N CA 0.668 53.784 53.050 0.109 0.000 0.866 550 N CB 1.067 39.614 38.487 0.100 0.000 1.093 550 N HN 0.585 nan 8.380 nan 0.000 0.515 551 E N 0.109 120.418 120.200 0.182 0.000 2.489 551 E HA 0.235 5.046 4.350 0.768 0.000 0.208 551 E C 0.524 177.204 176.600 0.133 0.000 0.814 551 E CA 0.180 56.676 56.400 0.159 0.000 1.348 551 E CB 1.030 30.817 29.700 0.146 0.000 1.334 551 E HN 0.348 nan 8.360 nan 0.000 0.672 552 I N -2.899 117.773 120.570 0.169 0.000 3.239 552 I HA 0.633 5.263 4.170 0.768 0.000 0.314 552 I C -0.999 175.214 176.117 0.160 0.000 1.126 552 I CA -1.390 60.014 61.300 0.172 0.000 0.973 552 I CB 2.341 40.456 38.000 0.191 0.000 1.252 552 I HN -0.108 nan 8.210 nan 0.000 0.463 553 M N 3.615 123.326 119.600 0.184 0.000 2.386 553 M HA 0.629 5.569 4.480 0.768 0.000 0.293 553 M C -1.647 174.744 176.300 0.152 0.000 1.120 553 M CA -0.780 54.607 55.300 0.144 0.000 0.909 553 M CB 2.288 34.956 32.600 0.114 0.000 1.661 553 M HN 0.741 nan 8.290 nan 0.000 0.452 554 I N 1.581 122.166 120.570 0.025 0.000 2.562 554 I HA 0.961 5.592 4.170 0.768 0.000 0.301 554 I C -0.762 175.382 176.117 0.045 0.000 1.003 554 I CA -0.616 60.637 61.300 -0.079 0.000 1.127 554 I CB 2.174 39.863 38.000 -0.519 0.000 1.304 554 I HN 0.762 nan 8.210 nan 0.000 0.446 555 A N 5.329 128.238 122.820 0.149 0.000 3.300 555 A HA 0.554 5.334 4.320 0.768 0.000 0.300 555 A C -2.710 175.010 177.584 0.227 0.000 1.099 555 A CA -1.049 51.096 52.037 0.179 0.000 0.846 555 A CB -0.266 18.843 19.000 0.182 0.000 1.255 555 A HN 0.622 nan 8.150 nan 0.000 0.519 556 P HA 0.213 nan 4.420 nan 0.000 0.269 556 P C 0.059 177.558 177.300 0.332 0.000 1.215 556 P CA 0.187 63.450 63.100 0.271 0.000 0.780 556 P CB 0.975 32.831 31.700 0.260 0.000 0.898 557 V N 3.426 123.507 119.914 0.279 0.000 2.488 557 V HA 0.032 4.613 4.120 0.768 0.000 0.277 557 V C 0.655 176.976 176.094 0.379 0.000 1.046 557 V CA 0.307 62.737 62.300 0.217 0.000 0.986 557 V CB -0.377 31.538 31.823 0.153 0.000 0.989 557 V HN 0.644 nan 8.190 nan 0.000 0.475 558 Y N 1.660 122.135 120.300 0.292 0.000 2.707 558 Y HA 0.562 5.573 4.550 0.769 0.000 0.249 558 Y C 0.200 176.386 175.900 0.476 0.000 1.166 558 Y CA -0.813 57.548 58.100 0.435 0.000 1.184 558 Y CB 0.311 38.969 38.460 0.330 0.000 1.240 558 Y HN 0.485 nan 8.280 nan 0.000 0.547 559 E N 1.776 121.993 120.200 0.028 0.000 2.171 559 E HA 0.169 4.980 4.350 0.768 0.000 0.271 559 E C -1.076 175.128 176.600 -0.660 0.000 0.916 559 E CA -0.922 55.336 56.400 -0.238 0.000 0.774 559 E CB 2.515 32.061 29.700 -0.255 0.000 1.128 559 E HN 0.427 nan 8.360 nan 0.000 0.403 560 Q N 2.165 121.108 119.800 -1.428 0.000 2.333 560 Q HA -0.109 4.692 4.340 0.768 0.000 0.299 560 Q C 0.084 175.762 176.000 -0.535 0.000 1.067 560 Q CA 0.664 55.637 55.803 -1.383 0.000 0.943 560 Q CB 0.210 28.190 28.738 -1.264 0.000 1.233 560 Q HN 0.477 nan 8.270 nan 0.000 0.401 561 N N -0.482 118.037 118.700 -0.301 0.000 2.863 561 N HA -0.217 4.984 4.740 0.768 0.000 0.245 561 N C -1.216 174.243 175.510 -0.086 0.000 1.001 561 N CA 1.078 54.048 53.050 -0.133 0.000 0.901 561 N CB -1.343 37.070 38.487 -0.123 0.000 1.124 561 N HN 0.612 nan 8.380 nan 0.000 0.582 562 A N 0.580 123.340 122.820 -0.100 0.000 2.363 562 A HA 0.428 5.209 4.320 0.768 0.000 0.270 562 A C 1.225 178.820 177.584 0.018 0.000 1.121 562 A CA -0.192 51.820 52.037 -0.042 0.000 0.800 562 A CB 0.535 19.489 19.000 -0.075 0.000 1.052 562 A HN 0.230 nan 8.150 nan 0.000 0.493 563 R N 1.602 122.138 120.500 0.061 0.000 2.393 563 R HA 0.287 5.088 4.340 0.768 0.000 0.244 563 R C 0.674 177.029 176.300 0.090 0.000 0.920 563 R CA 0.623 56.773 56.100 0.083 0.000 1.076 563 R CB 0.459 30.813 30.300 0.090 0.000 1.119 563 R HN 0.936 nan 8.270 nan 0.000 0.524 564 G N 0.900 109.715 108.800 0.024 0.000 2.335 564 G HA2 0.290 4.711 3.960 0.768 0.000 0.291 564 G HA3 0.290 4.711 3.960 0.768 0.000 0.291 564 G C -1.630 173.001 174.900 -0.448 0.000 1.261 564 G CA -0.970 43.978 45.100 -0.254 0.000 0.871 564 G HN 0.190 nan 8.290 nan 0.000 0.491 565 R N -1.981 118.017 120.500 -0.836 0.000 2.747 565 R HA 0.668 5.469 4.340 0.768 0.000 0.272 565 R C -1.669 174.247 176.300 -0.639 0.000 1.032 565 R CA -1.075 54.688 56.100 -0.562 0.000 0.896 565 R CB 0.727 30.893 30.300 -0.223 0.000 1.253 565 R HN 0.466 nan 8.270 nan 0.000 0.461 566 Y N 0.257 120.499 120.300 -0.097 0.000 2.301 566 Y HA 0.522 5.532 4.550 0.768 0.000 0.325 566 Y C 0.431 176.321 175.900 -0.016 0.000 1.203 566 Y CA -0.253 57.851 58.100 0.006 0.000 1.255 566 Y CB 1.930 40.445 38.460 0.091 0.000 1.232 566 Y HN 0.511 nan 8.280 nan 0.000 0.501 567 V N -0.023 119.988 119.914 0.161 0.000 3.049 567 V HA 0.530 5.111 4.120 0.768 0.000 0.309 567 V C -1.890 174.259 176.094 0.092 0.000 1.148 567 V CA -1.316 61.005 62.300 0.035 0.000 0.990 567 V CB 1.973 33.665 31.823 -0.218 0.000 1.039 567 V HN 0.620 nan 8.190 nan 0.000 0.430 568 Y N 3.746 123.996 120.300 -0.084 0.000 2.328 568 Y HA 0.745 5.756 4.550 0.768 0.000 0.333 568 Y C -0.796 175.003 175.900 -0.167 0.000 0.958 568 Y CA -1.154 56.894 58.100 -0.087 0.000 1.167 568 Y CB 1.551 39.965 38.460 -0.077 0.000 1.151 568 Y HN 0.759 nan 8.280 nan 0.000 0.470 569 L N 9.552 130.298 121.223 -0.795 0.000 2.257 569 L HA 0.347 5.148 4.340 0.768 0.000 0.290 569 L C -1.936 174.286 176.870 -1.080 0.000 1.044 569 L CA -1.787 52.611 54.840 -0.737 0.000 0.810 569 L CB 1.433 43.254 42.059 -0.395 0.000 1.193 569 L HN 0.567 nan 8.230 nan 0.000 0.425 570 P HA -0.044 nan 4.420 nan 0.000 0.236 570 P C -0.306 176.628 177.300 -0.610 0.000 1.177 570 P CA 0.728 63.276 63.100 -0.920 0.000 0.773 570 P CB 0.402 31.244 31.700 -1.431 0.000 0.878 571 E N -1.827 118.108 120.200 -0.441 0.000 2.454 571 E HA 0.290 5.101 4.350 0.768 0.000 0.279 571 E C -1.040 175.490 176.600 -0.117 0.000 1.029 571 E CA -1.183 55.104 56.400 -0.187 0.000 0.831 571 E CB 0.725 30.393 29.700 -0.053 0.000 1.405 571 E HN -0.156 nan 8.360 nan 0.000 0.463 572 E N 1.398 121.573 120.200 -0.043 0.000 2.413 572 E HA 0.192 5.003 4.350 0.768 0.000 0.263 572 E C -0.771 175.877 176.600 0.080 0.000 1.015 572 E CA 0.331 56.742 56.400 0.020 0.000 0.916 572 E CB 0.614 30.338 29.700 0.039 0.000 0.947 572 E HN 0.426 nan 8.360 nan 0.000 0.440 573 M N 2.903 122.602 119.600 0.164 0.000 2.622 573 M HA 0.308 5.248 4.480 0.768 0.000 0.276 573 M C -0.920 175.566 176.300 0.308 0.000 1.265 573 M CA -0.978 54.493 55.300 0.286 0.000 0.850 573 M CB 2.321 35.073 32.600 0.254 0.000 1.720 573 M HN 0.339 nan 8.290 nan 0.000 0.465 574 K N 1.462 122.033 120.400 0.285 0.000 2.267 574 K HA 0.317 5.098 4.320 0.768 0.000 0.282 574 K C -1.149 175.523 176.600 0.120 0.000 1.078 574 K CA -0.352 55.983 56.287 0.081 0.000 0.903 574 K CB 0.644 33.056 32.500 -0.148 0.000 1.111 574 K HN 0.442 nan 8.250 nan 0.000 0.475 575 F N 6.962 126.845 119.950 -0.112 0.000 2.487 575 F HA 0.144 5.131 4.527 0.768 0.000 0.364 575 F C -0.457 175.148 175.800 -0.325 0.000 1.126 575 F CA -0.738 57.039 58.000 -0.371 0.000 1.135 575 F CB -0.012 38.827 39.000 -0.269 0.000 1.127 575 F HN 0.300 nan 8.300 nan 0.000 0.559 576 I N 6.331 126.664 120.570 -0.395 0.000 2.460 576 I HA 0.397 5.028 4.170 0.768 0.000 0.298 576 I C -0.288 175.522 176.117 -0.513 0.000 0.989 576 I CA -0.864 60.176 61.300 -0.434 0.000 1.173 576 I CB 1.787 39.643 38.000 -0.240 0.000 1.338 576 I HN 0.486 nan 8.210 nan 0.000 0.456 577 K N 4.616 124.715 120.400 -0.502 0.000 2.498 577 K HA 0.485 5.266 4.320 0.768 0.000 0.254 577 K C -1.551 174.891 176.600 -0.264 0.000 0.933 577 K CA -0.575 55.528 56.287 -0.307 0.000 0.806 577 K CB 2.470 34.728 32.500 -0.403 0.000 1.301 577 K HN 0.161 nan 8.250 nan 0.000 0.432 578 F N 3.491 123.384 119.950 -0.095 0.000 2.404 578 F HA 0.333 5.322 4.527 0.770 0.000 0.358 578 F C 0.483 176.246 175.800 -0.062 0.000 1.120 578 F CA -0.452 57.508 58.000 -0.067 0.000 1.144 578 F CB 0.756 39.737 39.000 -0.033 0.000 1.133 578 F HN 0.138 nan 8.300 nan 0.000 0.495 579 M N 5.182 124.812 119.600 0.050 0.000 2.409 579 M HA 0.288 5.229 4.480 0.768 0.000 0.329 579 M C -1.507 174.814 176.300 0.034 0.000 1.180 579 M CA -2.144 53.163 55.300 0.013 0.000 1.053 579 M CB 1.080 33.656 32.600 -0.042 0.000 1.586 579 M HN 0.185 nan 8.290 nan 0.000 0.461 580 P HA -0.186 nan 4.420 nan 0.000 0.216 580 P C 0.476 177.782 177.300 0.011 0.000 1.153 580 P CA 1.522 64.629 63.100 0.012 0.000 0.858 580 P CB -0.278 31.419 31.700 -0.006 0.000 0.789 581 D N -1.305 119.095 120.400 -0.000 0.000 2.407 581 D HA 0.004 5.105 4.640 0.768 0.000 0.234 581 D C 1.373 177.673 176.300 0.000 0.000 1.029 581 D CA 0.876 54.873 54.000 -0.005 0.000 0.937 581 D CB -1.350 39.441 40.800 -0.015 0.000 0.882 581 D HN 0.295 nan 8.370 nan 0.000 0.531 582 G N -0.209 108.602 108.800 0.019 0.000 2.162 582 G HA2 -0.306 4.115 3.960 0.768 0.000 0.260 582 G HA3 -0.306 4.115 3.960 0.768 0.000 0.260 582 G C 0.422 175.323 174.900 0.002 0.000 0.976 582 G CA 0.665 45.785 45.100 0.034 0.000 0.655 582 G HN 0.883 nan 8.290 nan 0.000 0.533 583 S N -0.757 114.924 115.700 -0.032 0.000 2.681 583 S HA 0.781 5.712 4.470 0.768 0.000 0.270 583 S C 0.077 174.582 174.600 -0.157 0.000 1.209 583 S CA -0.579 57.571 58.200 -0.083 0.000 0.988 583 S CB 1.770 64.921 63.200 -0.082 0.000 1.006 583 S HN 0.691 nan 8.310 nan 0.000 0.558 584 I N 2.164 122.599 120.570 -0.225 0.000 2.493 584 I HA 0.238 4.869 4.170 0.768 0.000 0.279 584 I C 0.130 176.059 176.117 -0.313 0.000 1.045 584 I CA -0.438 60.640 61.300 -0.369 0.000 1.106 584 I CB 1.790 39.493 38.000 -0.496 0.000 1.216 584 I HN 0.820 nan 8.210 nan 0.000 0.459 585 S N 5.018 120.531 115.700 -0.313 0.000 2.565 585 S HA 0.394 5.325 4.470 0.768 0.000 0.276 585 S C -0.370 174.014 174.600 -0.361 0.000 1.326 585 S CA -0.296 57.726 58.200 -0.296 0.000 1.045 585 S CB 1.658 64.691 63.200 -0.279 0.000 0.918 585 S HN 0.699 nan 8.310 nan 0.000 0.505 586 E N 1.304 121.334 120.200 -0.283 0.000 2.278 586 E HA 0.383 5.194 4.350 0.768 0.000 0.272 586 E C -1.518 174.973 176.600 -0.183 0.000 0.890 586 E CA -0.404 55.840 56.400 -0.260 0.000 0.770 586 E CB 1.549 31.110 29.700 -0.231 0.000 1.212 586 E HN 0.872 nan 8.360 nan 0.000 0.415 587 E N 3.500 123.618 120.200 -0.135 0.000 2.335 587 E HA 0.296 5.107 4.350 0.768 0.000 0.280 587 E C -1.664 174.947 176.600 0.019 0.000 0.918 587 E CA -0.758 55.622 56.400 -0.034 0.000 0.765 587 E CB 2.092 31.814 29.700 0.037 0.000 1.218 587 E HN 0.288 nan 8.360 nan 0.000 0.425 588 V N 5.057 124.980 119.914 0.016 0.000 2.498 588 V HA 0.354 4.935 4.120 0.768 0.000 0.279 588 V C -0.051 176.079 176.094 0.060 0.000 1.048 588 V CA -0.269 62.061 62.300 0.051 0.000 0.967 588 V CB 0.901 32.756 31.823 0.054 0.000 0.988 588 V HN 0.545 nan 8.190 nan 0.000 0.473 589 L N 4.933 126.186 121.223 0.049 0.000 2.356 589 L HA 0.515 5.316 4.340 0.768 0.000 0.277 589 L C 0.415 177.297 176.870 0.019 0.000 0.996 589 L CA -0.604 54.190 54.840 -0.077 0.000 0.822 589 L CB 1.912 43.722 42.059 -0.414 0.000 1.256 589 L HN 0.784 nan 8.230 nan 0.000 0.413 590 E N 4.033 124.308 120.200 0.125 0.000 2.418 590 E HA 0.025 4.836 4.350 0.768 0.000 0.261 590 E C -0.319 176.368 176.600 0.145 0.000 1.070 590 E CA -0.629 55.854 56.400 0.138 0.000 0.931 590 E CB 1.050 30.834 29.700 0.140 0.000 0.954 590 E HN 0.414 nan 8.360 nan 0.000 0.439 591 K N 1.505 121.921 120.400 0.026 0.000 2.491 591 K HA 0.171 4.952 4.320 0.768 0.000 0.279 591 K C -0.071 176.509 176.600 -0.034 0.000 1.026 591 K CA 1.086 57.326 56.287 -0.078 0.000 1.070 591 K CB -0.193 32.251 32.500 -0.093 0.000 0.887 591 K HN 0.737 nan 8.250 nan 0.000 0.481 592 G N 1.439 110.168 108.800 -0.119 0.000 2.339 592 G HA2 0.049 4.470 3.960 0.768 0.000 0.275 592 G HA3 0.049 4.470 3.960 0.768 0.000 0.275 592 G C -1.663 173.218 174.900 -0.033 0.000 1.323 592 G CA -0.748 44.331 45.100 -0.034 0.000 0.927 592 G HN 0.463 nan 8.290 nan 0.000 0.486 593 V N 1.746 121.622 119.914 -0.064 0.000 2.472 593 V HA 0.695 5.276 4.120 0.768 0.000 0.290 593 V C -0.356 175.601 176.094 -0.230 0.000 1.037 593 V CA -0.538 61.766 62.300 0.006 0.000 0.908 593 V CB 1.370 33.231 31.823 0.063 0.000 0.985 593 V HN 0.735 nan 8.190 nan 0.000 0.454 594 H N 2.941 122.070 119.070 0.098 0.000 2.851 594 H HA 0.347 5.364 4.556 0.768 0.000 0.372 594 H C -1.622 173.801 175.328 0.158 0.000 1.158 594 H CA -0.472 55.635 56.048 0.098 0.000 1.159 594 H CB 2.538 32.301 29.762 0.002 0.000 1.757 594 H HN 0.655 nan 8.280 nan 0.000 0.546 595 Y N 2.397 122.788 120.300 0.152 0.000 2.330 595 Y HA 0.384 5.395 4.550 0.769 0.000 0.336 595 Y C -0.544 175.349 175.900 -0.011 0.000 1.036 595 Y CA -0.616 57.477 58.100 -0.011 0.000 1.125 595 Y CB 0.902 39.286 38.460 -0.126 0.000 1.194 595 Y HN 0.372 nan 8.280 nan 0.000 0.469 596 V N 2.331 121.962 119.914 -0.471 0.000 2.588 596 V HA 0.450 5.031 4.120 0.768 0.000 0.304 596 V C -1.002 174.941 176.094 -0.252 0.000 1.042 596 V CA -1.115 61.009 62.300 -0.294 0.000 0.877 596 V CB 1.735 33.210 31.823 -0.581 0.000 0.996 596 V HN 0.669 nan 8.190 nan 0.000 0.425 597 D N 3.303 123.746 120.400 0.072 0.000 2.343 597 D HA 0.479 5.580 4.640 0.768 0.000 0.255 597 D C -0.365 176.034 176.300 0.166 0.000 1.187 597 D CA 0.312 54.385 54.000 0.121 0.000 0.875 597 D CB 1.780 42.678 40.800 0.163 0.000 1.136 597 D HN 0.548 nan 8.370 nan 0.000 0.469 598 V N 2.052 122.025 119.914 0.099 0.000 2.462 598 V HA 0.477 5.058 4.120 0.768 0.000 0.288 598 V C 0.426 176.572 176.094 0.086 0.000 1.020 598 V CA -1.067 61.303 62.300 0.118 0.000 0.857 598 V CB 1.379 33.285 31.823 0.137 0.000 1.013 598 V HN 0.632 nan 8.190 nan 0.000 0.431 599 A N 3.643 126.506 122.820 0.071 0.000 2.346 599 A HA 0.627 5.408 4.320 0.768 0.000 0.252 599 A C 1.332 178.956 177.584 0.067 0.000 1.089 599 A CA -0.265 51.809 52.037 0.060 0.000 0.797 599 A CB 0.339 19.362 19.000 0.039 0.000 1.047 599 A HN 0.868 nan 8.150 nan 0.000 0.494 600 L N 0.165 121.425 121.223 0.062 0.000 2.034 600 L HA -0.274 4.527 4.340 0.768 0.000 0.217 600 L C 1.882 178.766 176.870 0.024 0.000 1.077 600 L CA 2.166 57.042 54.840 0.059 0.000 0.769 600 L CB -0.411 41.669 42.059 0.035 0.000 0.890 600 L HN 0.977 nan 8.230 nan 0.000 0.435 601 N N -1.049 117.648 118.700 -0.006 0.000 2.314 601 N HA 0.004 5.205 4.740 0.768 0.000 0.200 601 N C -0.152 175.365 175.510 0.011 0.000 1.135 601 N CA 0.127 53.160 53.050 -0.029 0.000 0.835 601 N CB -0.086 38.366 38.487 -0.059 0.000 0.989 601 N HN 0.382 nan 8.380 nan 0.000 0.478 602 E N -0.131 120.094 120.200 0.041 0.000 2.191 602 E HA 0.493 5.303 4.350 0.768 0.000 0.274 602 E C -1.044 175.618 176.600 0.104 0.000 0.948 602 E CA -0.928 55.509 56.400 0.061 0.000 0.802 602 E CB 2.506 32.232 29.700 0.043 0.000 1.137 602 E HN -0.132 nan 8.360 nan 0.000 0.397 603 V N 4.525 124.526 119.914 0.146 0.000 2.444 603 V HA 0.412 4.993 4.120 0.768 0.000 0.294 603 V C -2.425 173.836 176.094 0.277 0.000 1.022 603 V CA -1.670 60.754 62.300 0.207 0.000 0.850 603 V CB 1.669 33.570 31.823 0.131 0.000 0.992 603 V HN 0.584 nan 8.190 nan 0.000 0.426 604 P HA 0.784 nan 4.420 nan 0.000 0.306 604 P C -1.602 175.857 177.300 0.266 0.000 1.399 604 P CA -0.754 62.481 63.100 0.224 0.000 0.992 604 P CB 2.350 34.216 31.700 0.276 0.000 1.148 605 L N -0.457 120.834 121.223 0.114 0.000 2.600 605 L HA 0.723 5.524 4.340 0.768 0.000 0.257 605 L C -1.508 175.321 176.870 -0.069 0.000 1.048 605 L CA -0.953 53.969 54.840 0.137 0.000 0.869 605 L CB 1.221 43.451 42.059 0.286 0.000 1.482 605 L HN 0.072 nan 8.230 nan 0.000 0.408 606 F N 1.055 121.097 119.950 0.155 0.000 2.507 606 F HA 0.742 5.729 4.527 0.767 0.000 0.325 606 F C -0.236 175.630 175.800 0.111 0.000 1.116 606 F CA -0.548 57.536 58.000 0.140 0.000 0.930 606 F CB 1.926 40.979 39.000 0.088 0.000 1.146 606 F HN 0.297 nan 8.300 nan 0.000 0.447 607 I N 3.321 124.042 120.570 0.253 0.000 2.377 607 I HA 0.427 5.058 4.170 0.768 0.000 0.293 607 I C -0.162 176.124 176.117 0.281 0.000 0.987 607 I CA -0.854 60.568 61.300 0.203 0.000 1.185 607 I CB 1.482 39.554 38.000 0.120 0.000 1.341 607 I HN 0.522 nan 8.210 nan 0.000 0.455 608 R N 3.501 124.128 120.500 0.213 0.000 2.543 608 R HA 0.188 4.989 4.340 0.768 0.000 0.277 608 R C 0.268 176.594 176.300 0.044 0.000 1.074 608 R CA -0.408 55.786 56.100 0.157 0.000 1.076 608 R CB 0.545 30.922 30.300 0.127 0.000 0.993 608 R HN 0.588 nan 8.270 nan 0.000 0.459 609 S N 1.686 117.292 115.700 -0.157 0.000 3.129 609 S HA -0.073 4.858 4.470 0.768 0.000 0.371 609 S C 1.334 175.665 174.600 -0.449 0.000 1.196 609 S CA 1.299 59.132 58.200 -0.613 0.000 0.989 609 S CB -0.263 62.755 63.200 -0.303 0.000 0.695 609 S HN 0.912 nan 8.310 nan 0.000 0.499 610 G N 3.829 112.241 108.800 -0.645 0.000 2.203 610 G HA2 -0.234 4.187 3.960 0.768 0.000 0.263 610 G HA3 -0.234 4.187 3.960 0.768 0.000 0.263 610 G C -0.088 174.805 174.900 -0.012 0.000 1.012 610 G CA 0.630 45.613 45.100 -0.196 0.000 0.749 610 G HN 0.634 nan 8.290 nan 0.000 0.512 611 K N -0.447 119.989 120.400 0.060 0.000 2.221 611 K HA 0.823 5.604 4.320 0.768 0.000 0.243 611 K C 0.474 177.173 176.600 0.166 0.000 0.968 611 K CA -0.316 56.048 56.287 0.128 0.000 0.846 611 K CB 1.659 34.228 32.500 0.116 0.000 1.141 611 K HN 0.800 nan 8.250 nan 0.000 0.434 612 C N -0.566 118.794 119.300 0.099 0.000 3.171 612 C HA 0.902 5.823 4.460 0.768 0.000 0.308 612 C C -0.589 174.301 174.990 -0.168 0.000 1.334 612 C CA -1.120 57.902 59.018 0.006 0.000 1.473 612 C CB 0.312 28.074 27.740 0.036 0.000 1.866 612 C HN 0.866 nan 8.230 nan 0.000 0.465 613 I N -1.754 118.626 120.570 -0.317 0.000 2.686 613 I HA 0.855 5.486 4.170 0.768 0.000 0.295 613 I C -3.013 172.868 176.117 -0.393 0.000 1.114 613 I CA -2.310 58.591 61.300 -0.665 0.000 1.038 613 I CB 2.199 39.646 38.000 -0.922 0.000 1.238 613 I HN 0.484 nan 8.210 nan 0.000 0.420 614 P HA 0.400 nan 4.420 nan 0.000 0.281 614 P C -1.002 176.284 177.300 -0.024 0.000 1.249 614 P CA -0.532 62.509 63.100 -0.098 0.000 0.810 614 P CB 1.701 33.409 31.700 0.013 0.000 1.008 615 V N 1.419 121.353 119.914 0.034 0.000 2.488 615 V HA 0.533 5.114 4.120 0.768 0.000 0.293 615 V C 0.247 176.402 176.094 0.101 0.000 1.027 615 V CA -0.832 61.531 62.300 0.104 0.000 0.862 615 V CB 1.294 33.194 31.823 0.127 0.000 1.008 615 V HN 0.761 nan 8.190 nan 0.000 0.428 616 A N 3.933 126.821 122.820 0.112 0.000 2.313 616 A HA 0.612 5.393 4.320 0.768 0.000 0.261 616 A C 0.296 177.945 177.584 0.108 0.000 1.090 616 A CA -0.369 51.726 52.037 0.097 0.000 0.807 616 A CB 0.319 19.375 19.000 0.093 0.000 1.055 616 A HN 0.820 nan 8.150 nan 0.000 0.492 617 E N 0.219 120.470 120.200 0.084 0.000 2.404 617 E HA 0.333 5.144 4.350 0.768 0.000 0.261 617 E C 0.465 177.120 176.600 0.091 0.000 1.074 617 E CA 0.121 56.569 56.400 0.080 0.000 0.917 617 E CB 0.585 30.317 29.700 0.053 0.000 0.965 617 E HN 0.769 nan 8.360 nan 0.000 0.433 618 A N 1.512 124.383 122.820 0.085 0.000 2.531 618 A HA 0.400 5.181 4.320 0.768 0.000 0.236 618 A C -0.190 177.426 177.584 0.053 0.000 1.062 618 A CA 0.484 52.566 52.037 0.076 0.000 0.760 618 A CB 0.233 19.260 19.000 0.045 0.000 0.995 618 A HN 0.575 nan 8.150 nan 0.000 0.501 619 A N 1.385 124.237 122.820 0.053 0.000 2.515 619 A HA 0.678 5.459 4.320 0.768 0.000 0.296 619 A C 0.203 177.715 177.584 -0.120 0.000 1.094 619 A CA -0.463 51.590 52.037 0.026 0.000 0.718 619 A CB 0.965 20.026 19.000 0.101 0.000 1.307 619 A HN 0.808 nan 8.150 nan 0.000 0.408 620 E N -0.825 119.311 120.200 -0.107 0.000 2.474 620 E HA 0.159 4.970 4.350 0.768 0.000 0.194 620 E C -0.057 176.413 176.600 -0.217 0.000 1.041 620 E CA 0.660 56.935 56.400 -0.208 0.000 0.874 620 E CB 0.188 29.842 29.700 -0.076 0.000 0.914 620 E HN 0.762 nan 8.360 nan 0.000 0.498 621 C N -3.999 115.278 119.300 -0.038 0.000 3.285 621 C HA 0.338 5.259 4.460 0.768 0.000 0.325 621 C C 1.593 176.752 174.990 0.281 0.000 1.304 621 C CA -1.015 58.093 59.018 0.150 0.000 1.319 621 C CB 0.687 28.458 27.740 0.051 0.000 1.640 621 C HN -0.061 nan 8.230 nan 0.000 0.477 622 V N 2.216 122.316 119.914 0.311 0.000 2.407 622 V HA -0.235 4.346 4.120 0.768 0.000 0.248 622 V C 2.816 178.951 176.094 0.068 0.000 1.055 622 V CA 2.765 65.165 62.300 0.167 0.000 1.049 622 V CB -0.766 31.093 31.823 0.059 0.000 0.662 622 V HN 1.060 nan 8.190 nan 0.000 0.455 623 K N 0.052 120.478 120.400 0.043 0.000 2.147 623 K HA -0.197 4.584 4.320 0.768 0.000 0.205 623 K C 1.239 177.846 176.600 0.012 0.000 1.049 623 K CA 2.082 58.372 56.287 0.004 0.000 0.936 623 K CB -0.336 32.153 32.500 -0.018 0.000 0.722 623 K HN 0.338 nan 8.250 nan 0.000 0.446 624 D N 0.882 121.302 120.400 0.033 0.000 2.340 624 D HA 0.118 5.219 4.640 0.768 0.000 0.220 624 D C 0.158 176.488 176.300 0.050 0.000 1.039 624 D CA 0.175 54.194 54.000 0.032 0.000 0.866 624 D CB -0.062 40.754 40.800 0.028 0.000 0.913 624 D HN 0.269 nan 8.370 nan 0.000 0.523 625 I N 1.595 122.207 120.570 0.070 0.000 2.662 625 I HA -0.089 4.542 4.170 0.768 0.000 0.285 625 I C 0.643 176.788 176.117 0.046 0.000 1.161 625 I CA -0.111 61.235 61.300 0.077 0.000 1.415 625 I CB 0.310 38.363 38.000 0.088 0.000 1.385 625 I HN -0.219 nan 8.210 nan 0.000 0.552 626 D N 5.436 125.864 120.400 0.046 0.000 2.416 626 D HA -0.017 5.084 4.640 0.768 0.000 0.240 626 D C 1.344 177.667 176.300 0.039 0.000 1.250 626 D CA -0.240 53.781 54.000 0.035 0.000 0.967 626 D CB 0.591 41.410 40.800 0.031 0.000 1.059 626 D HN 0.654 nan 8.370 nan 0.000 0.512 627 T N 0.214 114.788 114.554 0.033 0.000 3.148 627 T HA -0.085 4.726 4.350 0.768 0.000 0.253 627 T C 1.380 176.103 174.700 0.039 0.000 1.134 627 T CA 0.651 62.776 62.100 0.041 0.000 1.051 627 T CB -0.072 68.817 68.868 0.035 0.000 0.959 627 T HN 0.474 nan 8.240 nan 0.000 0.525 628 E N 3.079 123.296 120.200 0.028 0.000 2.112 628 E HA -0.085 4.725 4.350 0.768 0.000 0.190 628 E C 0.562 177.179 176.600 0.027 0.000 0.979 628 E CA 0.933 57.347 56.400 0.023 0.000 0.814 628 E CB -0.262 29.447 29.700 0.014 0.000 0.762 628 E HN 0.810 nan 8.360 nan 0.000 0.460 629 N N 0.252 118.970 118.700 0.029 0.000 2.790 629 N HA 0.278 5.479 4.740 0.768 0.000 0.256 629 N C -1.031 174.499 175.510 0.033 0.000 1.409 629 N CA -0.310 52.757 53.050 0.028 0.000 0.799 629 N CB 1.006 39.505 38.487 0.020 0.000 1.170 629 N HN -0.033 nan 8.380 nan 0.000 0.507 630 M N 0.280 119.905 119.600 0.040 0.000 2.573 630 M HA 0.309 5.250 4.480 0.768 0.000 0.309 630 M C 0.151 176.469 176.300 0.030 0.000 1.202 630 M CA -0.745 54.580 55.300 0.043 0.000 0.975 630 M CB 1.745 34.379 32.600 0.058 0.000 1.600 630 M HN 0.431 nan 8.290 nan 0.000 0.479 631 Q N 1.244 121.057 119.800 0.022 0.000 2.235 631 Q HA 0.522 5.323 4.340 0.768 0.000 0.250 631 Q C -1.622 174.372 176.000 -0.010 0.000 0.909 631 Q CA -0.420 55.383 55.803 0.002 0.000 0.910 631 Q CB 1.140 29.871 28.738 -0.011 0.000 1.223 631 Q HN 0.604 nan 8.270 nan 0.000 0.432 632 L N 5.021 126.233 121.223 -0.018 0.000 2.264 632 L HA 0.366 5.167 4.340 0.768 0.000 0.287 632 L C -0.669 176.166 176.870 -0.059 0.000 1.039 632 L CA -0.723 54.098 54.840 -0.032 0.000 0.829 632 L CB 0.826 42.885 42.059 -0.000 0.000 1.211 632 L HN 0.541 nan 8.230 nan 0.000 0.427 633 I N 2.683 123.198 120.570 -0.091 0.000 2.396 633 I HA 0.705 5.336 4.170 0.768 0.000 0.292 633 I C 0.878 176.931 176.117 -0.106 0.000 0.999 633 I CA 0.031 61.260 61.300 -0.118 0.000 1.310 633 I CB 0.789 38.697 38.000 -0.152 0.000 1.404 633 I HN 0.777 nan 8.210 nan 0.000 0.496 634 G N 5.943 114.672 108.800 -0.118 0.000 2.295 634 G HA2 -0.026 4.395 3.960 0.768 0.000 0.155 634 G HA3 -0.026 4.395 3.960 0.768 0.000 0.155 634 G C -1.754 173.067 174.900 -0.132 0.000 1.307 634 G CA -0.736 44.315 45.100 -0.081 0.000 1.140 634 G HN 0.319 nan 8.290 nan 0.000 0.470 635 Y N 2.557 122.852 120.300 -0.009 0.000 2.331 635 Y HA 0.499 5.510 4.550 0.768 0.000 0.338 635 Y C 0.773 176.676 175.900 0.006 0.000 0.976 635 Y CA -0.532 57.569 58.100 0.002 0.000 1.137 635 Y CB 1.405 39.874 38.460 0.015 0.000 1.172 635 Y HN 0.384 nan 8.280 nan 0.000 0.478 636 E N 2.029 122.298 120.200 0.116 0.000 2.465 636 E HA 0.169 4.980 4.350 0.768 0.000 0.260 636 E C 0.839 177.497 176.600 0.095 0.000 0.980 636 E CA 1.148 57.595 56.400 0.078 0.000 0.927 636 E CB 0.454 30.181 29.700 0.045 0.000 0.934 636 E HN 1.033 nan 8.360 nan 0.000 0.459 637 G N 2.696 111.540 108.800 0.073 0.000 2.284 637 G HA2 -0.314 4.107 3.960 0.768 0.000 0.216 637 G HA3 -0.314 4.107 3.960 0.768 0.000 0.216 637 G C 0.429 175.370 174.900 0.068 0.000 1.009 637 G CA 0.098 45.236 45.100 0.064 0.000 0.625 637 G HN 0.722 nan 8.290 nan 0.000 0.501 638 S N 0.361 116.115 115.700 0.090 0.000 2.592 638 S HA 0.731 5.662 4.470 0.768 0.000 0.271 638 S C 0.214 174.873 174.600 0.098 0.000 1.326 638 S CA 0.777 59.032 58.200 0.093 0.000 1.024 638 S CB 1.853 65.124 63.200 0.119 0.000 0.921 638 S HN 0.880 nan 8.310 nan 0.000 0.527 639 S N 1.283 117.045 115.700 0.104 0.000 2.578 639 S HA 0.612 5.542 4.470 0.768 0.000 0.301 639 S C -1.431 173.288 174.600 0.198 0.000 1.091 639 S CA -0.548 57.725 58.200 0.122 0.000 1.032 639 S CB 0.941 64.187 63.200 0.077 0.000 1.064 639 S HN 0.755 nan 8.310 nan 0.000 0.508 640 Y N 0.973 121.312 120.300 0.064 0.000 2.406 640 Y HA 0.420 5.430 4.550 0.767 0.000 0.340 640 Y C -0.615 175.346 175.900 0.102 0.000 0.975 640 Y CA -0.551 57.600 58.100 0.085 0.000 1.056 640 Y CB 1.368 39.879 38.460 0.084 0.000 1.210 640 Y HN 0.552 nan 8.280 nan 0.000 0.448 641 T N 7.791 121.989 114.554 -0.592 0.000 2.723 641 T HA 0.281 5.092 4.350 0.768 0.000 0.297 641 T C -0.768 173.531 174.700 -0.668 0.000 0.925 641 T CA -0.255 61.599 62.100 -0.409 0.000 1.030 641 T CB 0.031 68.794 68.868 -0.176 0.000 0.905 641 T HN 0.545 nan 8.240 nan 0.000 0.502 642 L N 5.537 126.653 121.223 -0.178 0.000 2.278 642 L HA 0.438 5.239 4.340 0.768 0.000 0.287 642 L C -0.637 176.282 176.870 0.081 0.000 1.072 642 L CA -0.718 54.183 54.840 0.102 0.000 0.819 642 L CB 0.166 42.398 42.059 0.289 0.000 1.176 642 L HN 0.625 nan 8.230 nan 0.000 0.435 643 Y N 5.576 125.852 120.300 -0.040 0.000 2.336 643 Y HA 0.471 5.481 4.550 0.767 0.000 0.335 643 Y C -0.230 175.619 175.900 -0.085 0.000 1.046 643 Y CA -0.079 57.899 58.100 -0.202 0.000 1.198 643 Y CB 0.628 38.901 38.460 -0.312 0.000 1.182 643 Y HN 0.751 nan 8.280 nan 0.000 0.502 644 E N 4.265 124.129 120.200 -0.560 0.000 2.352 644 E HA 0.377 5.188 4.350 0.768 0.000 0.280 644 E C -1.864 174.451 176.600 -0.475 0.000 0.930 644 E CA -0.950 55.284 56.400 -0.275 0.000 0.765 644 E CB 2.056 31.743 29.700 -0.022 0.000 1.219 644 E HN 0.598 nan 8.360 nan 0.000 0.434 645 D N 1.396 121.701 120.400 -0.159 0.000 2.831 645 D HA 0.126 5.227 4.640 0.768 0.000 0.240 645 D C 0.462 176.758 176.300 -0.008 0.000 1.183 645 D CA -0.210 53.733 54.000 -0.095 0.000 1.079 645 D CB -0.282 40.543 40.800 0.042 0.000 1.262 645 D HN 0.454 nan 8.370 nan 0.000 0.634 646 D N -1.542 118.868 120.400 0.017 0.000 2.340 646 D HA 0.119 5.220 4.640 0.768 0.000 0.220 646 D C 1.569 177.856 176.300 -0.022 0.000 1.039 646 D CA 0.775 54.778 54.000 0.004 0.000 0.866 646 D CB -0.290 40.535 40.800 0.042 0.000 0.913 646 D HN 0.817 nan 8.370 nan 0.000 0.523 647 G N 0.741 109.542 108.800 0.002 0.000 2.196 647 G HA2 -0.341 4.080 3.960 0.768 0.000 0.268 647 G HA3 -0.341 4.080 3.960 0.768 0.000 0.268 647 G C 0.975 175.815 174.900 -0.101 0.000 0.975 647 G CA 0.835 45.889 45.100 -0.077 0.000 0.648 647 G HN 0.497 nan 8.290 nan 0.000 0.538 648 I N -1.505 118.987 120.570 -0.131 0.000 3.812 648 I HA 0.290 4.921 4.170 0.768 0.000 0.292 648 I C 1.295 177.109 176.117 -0.505 0.000 1.206 648 I CA 0.059 61.145 61.300 -0.357 0.000 1.370 648 I CB 0.212 37.913 38.000 -0.498 0.000 1.328 648 I HN 0.210 nan 8.210 nan 0.000 0.453 649 H N -0.270 118.743 119.070 -0.094 0.000 2.858 649 H HA 0.384 5.399 4.556 0.767 0.000 0.318 649 H C -0.297 174.876 175.328 -0.258 0.000 1.419 649 H CA -0.738 55.223 56.048 -0.145 0.000 1.373 649 H CB 0.987 30.669 29.762 -0.133 0.000 1.915 649 H HN -0.221 nan 8.280 nan 0.000 0.704 650 K N 0.463 120.717 120.400 -0.243 0.000 2.675 650 K HA 0.080 4.861 4.320 0.768 0.000 0.213 650 K C -0.559 175.534 176.600 -0.844 0.000 1.074 650 K CA 0.026 55.813 56.287 -0.833 0.000 1.172 650 K CB 0.186 32.403 32.500 -0.473 0.000 0.927 650 K HN 0.371 nan 8.250 nan 0.000 0.471 651 D N 0.199 120.321 120.400 -0.463 0.000 2.631 651 D HA 0.030 5.130 4.640 0.768 0.000 0.227 651 D C 0.175 176.433 176.300 -0.069 0.000 1.146 651 D CA -0.004 53.873 54.000 -0.204 0.000 1.009 651 D CB 0.194 40.934 40.800 -0.100 0.000 1.057 651 D HN 0.128 nan 8.370 nan 0.000 0.509 652 Y N 0.202 120.548 120.300 0.076 0.000 2.301 652 Y HA 0.023 5.023 4.550 0.749 0.000 0.295 652 Y C 1.116 177.101 175.900 0.142 0.000 1.119 652 Y CA 0.277 58.447 58.100 0.117 0.000 1.162 652 Y CB -0.079 38.425 38.460 0.073 0.000 1.046 652 Y HN 0.243 nan 8.280 nan 0.000 0.538 653 D N 1.625 122.183 120.400 0.263 0.000 2.845 653 D HA 0.095 5.196 4.640 0.768 0.000 0.235 653 D C -0.411 175.986 176.300 0.162 0.000 1.158 653 D CA 0.140 54.266 54.000 0.210 0.000 0.990 653 D CB -0.144 40.742 40.800 0.143 0.000 1.094 653 D HN 0.233 nan 8.370 nan 0.000 0.486 654 K N 0.925 121.430 120.400 0.176 0.000 2.244 654 K HA 0.119 4.899 4.320 0.768 0.000 0.260 654 K C 1.180 177.901 176.600 0.202 0.000 0.951 654 K CA -0.775 55.584 56.287 0.121 0.000 0.826 654 K CB 2.359 34.883 32.500 0.041 0.000 1.108 654 K HN -0.119 nan 8.250 nan 0.000 0.433 655 K N 2.639 123.134 120.400 0.157 0.000 2.113 655 K HA -0.211 4.570 4.320 0.768 0.000 0.208 655 K C 0.968 177.684 176.600 0.194 0.000 1.047 655 K CA 1.918 58.310 56.287 0.175 0.000 0.928 655 K CB 0.133 32.676 32.500 0.071 0.000 0.716 655 K HN 0.563 nan 8.250 nan 0.000 0.446 656 E N 0.041 120.291 120.200 0.084 0.000 2.502 656 E HA -0.045 4.766 4.350 0.768 0.000 0.194 656 E C 0.458 177.012 176.600 -0.077 0.000 1.062 656 E CA 0.235 56.645 56.400 0.015 0.000 0.867 656 E CB -0.232 29.463 29.700 -0.008 0.000 0.888 656 E HN 0.376 nan 8.360 nan 0.000 0.510 657 N N 0.340 118.945 118.700 -0.158 0.000 2.467 657 N HA 0.003 5.204 4.740 0.768 0.000 0.184 657 N C -0.616 174.468 175.510 -0.711 0.000 1.106 657 N CA 0.383 53.091 53.050 -0.569 0.000 0.892 657 N CB 0.098 38.071 38.487 -0.856 0.000 0.969 657 N HN 0.242 nan 8.380 nan 0.000 0.454 658 Y N -0.066 120.152 120.300 -0.138 0.000 2.393 658 Y HA 0.494 5.505 4.550 0.769 0.000 0.341 658 Y C 0.355 176.222 175.900 -0.055 0.000 0.988 658 Y CA -0.992 57.065 58.100 -0.071 0.000 1.078 658 Y CB 1.786 40.233 38.460 -0.021 0.000 1.203 658 Y HN -0.298 nan 8.280 nan 0.000 0.453 659 R N 1.358 121.918 120.500 0.101 0.000 2.604 659 R HA 0.743 5.544 4.340 0.768 0.000 0.281 659 R C -2.204 174.133 176.300 0.061 0.000 1.020 659 R CA -0.719 55.419 56.100 0.064 0.000 0.899 659 R CB 1.670 31.994 30.300 0.040 0.000 1.205 659 R HN 0.569 nan 8.270 nan 0.000 0.450 660 V N 5.941 125.885 119.914 0.051 0.000 2.407 660 V HA 0.386 4.967 4.120 0.768 0.000 0.278 660 V C -0.014 176.123 176.094 0.071 0.000 1.037 660 V CA -0.511 61.817 62.300 0.047 0.000 0.900 660 V CB 1.247 33.087 31.823 0.029 0.000 0.983 660 V HN 0.588 nan 8.190 nan 0.000 0.459 661 L N 4.878 126.167 121.223 0.110 0.000 2.334 661 L HA 0.818 5.619 4.340 0.768 0.000 0.273 661 L C 0.101 177.040 176.870 0.115 0.000 1.013 661 L CA -0.384 54.529 54.840 0.123 0.000 0.816 661 L CB 2.372 44.536 42.059 0.176 0.000 1.278 661 L HN 0.779 nan 8.230 nan 0.000 0.431 662 T N -1.464 113.141 114.554 0.085 0.000 2.916 662 T HA 0.429 5.240 4.350 0.768 0.000 0.298 662 T C -0.616 174.119 174.700 0.059 0.000 1.031 662 T CA -0.940 61.204 62.100 0.073 0.000 0.993 662 T CB 2.634 71.536 68.868 0.057 0.000 1.045 662 T HN 0.463 nan 8.240 nan 0.000 0.454 663 K N 0.000 120.435 120.400 0.059 0.000 2.780 663 K HA 0.000 4.781 4.320 0.768 0.000 0.191 663 K CA 0.000 56.313 56.287 0.043 0.000 0.838 663 K CB 0.000 32.527 32.500 0.046 0.000 1.064 663 K HN 0.000 nan 8.250 nan 0.000 0.543