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 1ya7_1_A DATA FIRST_RESID 7 DATA SEQUENCE AYDRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV LLISDKKVRS DATA SEQUENCE RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA QQEKVTYGSL DATA SEQUENCE VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP RLFDCDPAGT DATA SEQUENCE INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA LKSSLEEGEE DATA SEQUENCE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.333 177.584 -0.419 0.000 1.274 7 A CA 0.000 51.829 52.037 -0.346 0.000 0.836 7 A CB 0.000 18.676 19.000 -0.540 0.000 0.831 8 Y N 1.999 122.289 120.300 -0.016 0.000 2.457 8 Y HA 0.203 4.753 4.550 -0.000 0.000 0.263 8 Y C 1.041 176.961 175.900 0.032 0.000 1.164 8 Y CA 0.491 58.607 58.100 0.027 0.000 1.274 8 Y CB 0.615 39.127 38.460 0.086 0.000 1.097 8 Y HN 0.488 nan 8.280 nan 0.000 0.523 9 D N -1.223 119.219 120.400 0.071 0.000 2.593 9 D HA 0.090 4.730 4.640 -0.000 0.000 0.241 9 D C 1.160 177.479 176.300 0.032 0.000 1.257 9 D CA -0.001 54.016 54.000 0.028 0.000 0.828 9 D CB 0.175 40.932 40.800 -0.071 0.000 1.049 9 D HN 0.071 nan 8.370 nan 0.000 0.490 10 R N 0.190 120.704 120.500 0.024 0.000 2.307 10 R HA 0.467 4.807 4.340 -0.000 0.000 0.200 10 R C 0.358 176.662 176.300 0.007 0.000 0.893 10 R CA 0.103 56.217 56.100 0.024 0.000 1.042 10 R CB 0.842 31.144 30.300 0.003 0.000 1.059 10 R HN 0.206 nan 8.270 nan 0.000 0.530 11 A N 0.613 123.429 122.820 -0.008 0.000 2.422 11 A HA 0.424 4.744 4.320 -0.000 0.000 0.302 11 A C 0.486 178.038 177.584 -0.052 0.000 1.041 11 A CA -0.613 51.409 52.037 -0.024 0.000 0.708 11 A CB 1.264 20.251 19.000 -0.021 0.000 1.257 11 A HN 0.017 nan 8.150 nan 0.000 0.414 12 I N 2.061 122.590 120.570 -0.067 0.000 2.454 12 I HA -0.144 4.026 4.170 -0.000 0.000 0.254 12 I C 2.210 178.229 176.117 -0.162 0.000 1.156 12 I CA 2.657 63.892 61.300 -0.107 0.000 1.433 12 I CB 0.090 38.042 38.000 -0.080 0.000 1.082 12 I HN 0.726 nan 8.210 nan 0.000 0.432 13 T N -2.845 111.633 114.554 -0.127 0.000 3.129 13 T HA 0.201 4.551 4.350 -0.000 0.000 0.251 13 T C 0.545 175.172 174.700 -0.122 0.000 1.117 13 T CA -0.108 61.907 62.100 -0.143 0.000 1.034 13 T CB -0.616 68.200 68.868 -0.087 0.000 0.968 13 T HN -0.039 nan 8.240 nan 0.000 0.526 14 V N 2.622 122.474 119.914 -0.104 0.000 2.333 14 V HA 0.407 4.527 4.120 -0.000 0.000 0.274 14 V C -0.352 175.722 176.094 -0.034 0.000 1.028 14 V CA -1.255 61.049 62.300 0.007 0.000 0.851 14 V CB -0.118 31.752 31.823 0.079 0.000 1.000 14 V HN 0.325 nan 8.190 nan 0.000 0.456 15 F N 3.518 123.496 119.950 0.048 0.000 2.529 15 F HA 0.240 4.766 4.527 -0.000 0.000 0.365 15 F C 1.374 177.193 175.800 0.031 0.000 1.102 15 F CA 0.384 58.393 58.000 0.015 0.000 1.271 15 F CB 0.945 39.930 39.000 -0.024 0.000 1.120 15 F HN 0.615 nan 8.300 nan 0.000 0.579 16 S N 3.672 119.486 115.700 0.191 0.000 2.600 16 S HA 0.252 4.722 4.470 -0.000 0.000 0.265 16 S C -1.830 172.661 174.600 -0.182 0.000 1.325 16 S CA -1.096 57.059 58.200 -0.076 0.000 1.002 16 S CB 1.101 64.420 63.200 0.197 0.000 0.921 16 S HN 0.400 nan 8.310 nan 0.000 0.554 17 P HA -0.048 nan 4.420 nan 0.000 0.219 17 P C 0.304 177.539 177.300 -0.108 0.000 1.146 17 P CA 1.104 64.060 63.100 -0.240 0.000 0.808 17 P CB -0.070 31.468 31.700 -0.271 0.000 0.779 18 D N -1.709 118.655 120.400 -0.060 0.000 2.336 18 D HA 0.134 4.774 4.640 -0.000 0.000 0.229 18 D C 1.369 177.660 176.300 -0.015 0.000 1.061 18 D CA 0.810 54.798 54.000 -0.021 0.000 0.875 18 D CB -0.580 40.229 40.800 0.015 0.000 0.904 18 D HN 0.122 nan 8.370 nan 0.000 0.525 19 G N 1.243 110.049 108.800 0.011 0.000 2.149 19 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.235 19 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.235 19 G C 0.229 175.241 174.900 0.187 0.000 1.018 19 G CA -0.315 44.831 45.100 0.077 0.000 0.728 19 G HN 0.291 nan 8.290 nan 0.000 0.508 20 R N -1.024 119.513 120.500 0.062 0.000 2.598 20 R HA 0.710 5.050 4.340 -0.000 0.000 0.279 20 R C 0.182 176.326 176.300 -0.259 0.000 0.984 20 R CA -0.829 55.147 56.100 -0.205 0.000 0.999 20 R CB 1.087 31.023 30.300 -0.606 0.000 1.114 20 R HN 0.166 nan 8.270 nan 0.000 0.493 21 L N 3.413 124.403 121.223 -0.387 0.000 2.371 21 L HA 0.263 4.603 4.340 -0.000 0.000 0.262 21 L C 0.321 176.951 176.870 -0.400 0.000 1.054 21 L CA -0.296 54.315 54.840 -0.381 0.000 0.924 21 L CB 0.445 42.279 42.059 -0.375 0.000 1.295 21 L HN 0.671 nan 8.230 nan 0.000 0.441 22 F N 0.184 119.980 119.950 -0.256 0.000 2.161 22 F HA -0.211 4.316 4.527 0.000 0.000 0.300 22 F C 2.460 177.829 175.800 -0.718 0.000 1.089 22 F CA 1.267 58.984 58.000 -0.471 0.000 1.282 22 F CB -0.071 38.646 39.000 -0.473 0.000 1.010 22 F HN 0.541 nan 8.300 nan 0.000 0.485 23 Q N 0.002 119.618 119.800 -0.307 0.000 2.170 23 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 23 Q C 2.543 178.482 176.000 -0.103 0.000 0.976 23 Q CA 1.280 56.957 55.803 -0.210 0.000 0.858 23 Q CB -0.678 28.005 28.738 -0.092 0.000 0.907 23 Q HN 0.324 nan 8.270 nan 0.000 0.433 24 V N 0.802 120.641 119.914 -0.125 0.000 2.453 24 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 24 V C 2.018 178.099 176.094 -0.022 0.000 1.048 24 V CA 1.477 63.741 62.300 -0.060 0.000 1.049 24 V CB -0.418 31.354 31.823 -0.086 0.000 0.672 24 V HN 0.347 nan 8.190 nan 0.000 0.457 25 E N -0.628 119.530 120.200 -0.069 0.000 2.110 25 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 25 E C 2.137 178.887 176.600 0.250 0.000 0.988 25 E CA 1.560 57.985 56.400 0.042 0.000 0.804 25 E CB -0.230 29.468 29.700 -0.003 0.000 0.745 25 E HN 0.730 nan 8.360 nan 0.000 0.458 26 Y N 0.370 120.721 120.300 0.086 0.000 2.242 26 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 26 Y C 2.629 178.559 175.900 0.050 0.000 1.137 26 Y CA -0.034 58.111 58.100 0.077 0.000 1.181 26 Y CB -0.105 38.404 38.460 0.082 0.000 0.989 26 Y HN 0.099 nan 8.280 nan 0.000 0.527 27 A N 1.009 123.948 122.820 0.198 0.000 1.908 27 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 27 A C 2.118 179.763 177.584 0.101 0.000 1.181 27 A CA 1.610 53.720 52.037 0.122 0.000 0.627 27 A CB -0.664 18.390 19.000 0.091 0.000 0.818 27 A HN 0.404 nan 8.150 nan 0.000 0.445 28 R N -0.406 120.153 120.500 0.099 0.000 2.139 28 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 28 R C 1.880 178.225 176.300 0.074 0.000 1.145 28 R CA 1.376 57.523 56.100 0.079 0.000 0.976 28 R CB -0.256 30.088 30.300 0.073 0.000 0.866 28 R HN 0.530 nan 8.270 nan 0.000 0.449 29 E N 0.348 120.604 120.200 0.094 0.000 2.204 29 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 29 E C 1.912 178.537 176.600 0.042 0.000 0.990 29 E CA 1.171 57.609 56.400 0.063 0.000 0.821 29 E CB -0.132 29.600 29.700 0.054 0.000 0.750 29 E HN 0.373 nan 8.360 nan 0.000 0.477 30 A N 0.989 123.839 122.820 0.050 0.000 1.930 30 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 30 A C 2.566 180.167 177.584 0.028 0.000 1.175 30 A CA 1.097 53.156 52.037 0.037 0.000 0.627 30 A CB -0.480 18.548 19.000 0.046 0.000 0.815 30 A HN 0.135 nan 8.150 nan 0.000 0.443 31 V N 0.293 120.226 119.914 0.032 0.000 2.515 31 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 31 V C 2.185 178.285 176.094 0.010 0.000 1.058 31 V CA 2.113 64.425 62.300 0.020 0.000 1.064 31 V CB -0.657 31.180 31.823 0.024 0.000 0.675 31 V HN 0.528 nan 8.190 nan 0.000 0.461 32 K N 0.019 120.428 120.400 0.015 0.000 2.442 32 K HA -0.094 4.226 4.320 -0.000 0.000 0.198 32 K C 1.834 178.435 176.600 0.002 0.000 1.042 32 K CA 0.783 57.075 56.287 0.008 0.000 0.958 32 K CB -0.076 32.433 32.500 0.015 0.000 0.766 32 K HN 0.465 nan 8.250 nan 0.000 0.474 33 K N 0.218 120.619 120.400 0.002 0.000 2.361 33 K HA 0.055 4.375 4.320 -0.000 0.000 0.194 33 K C 1.042 177.638 176.600 -0.007 0.000 1.032 33 K CA -0.076 56.209 56.287 -0.002 0.000 1.048 33 K CB 0.718 33.218 32.500 0.000 0.000 0.842 33 K HN 0.075 nan 8.250 nan 0.000 0.526 34 G N 0.798 109.593 108.800 -0.008 0.000 2.634 34 G HA2 0.069 4.029 3.960 -0.000 0.000 0.255 34 G HA3 0.069 4.029 3.960 -0.000 0.000 0.255 34 G C -0.269 174.618 174.900 -0.022 0.000 1.205 34 G CA -0.461 44.630 45.100 -0.015 0.000 0.884 34 G HN -0.008 nan 8.290 nan 0.000 0.549 35 S N -0.764 114.920 115.700 -0.027 0.000 2.573 35 S HA 0.272 4.742 4.470 -0.000 0.000 0.277 35 S C 0.762 175.338 174.600 -0.041 0.000 1.346 35 S CA -0.112 58.068 58.200 -0.033 0.000 1.034 35 S CB 0.467 63.647 63.200 -0.034 0.000 0.879 35 S HN 0.637 nan 8.310 nan 0.000 0.528 36 T N 2.994 117.521 114.554 -0.045 0.000 2.869 36 T HA 0.589 4.939 4.350 -0.000 0.000 0.295 36 T C 0.009 174.671 174.700 -0.065 0.000 0.987 36 T CA -0.412 61.656 62.100 -0.054 0.000 1.109 36 T CB 0.973 69.809 68.868 -0.054 0.000 0.932 36 T HN 0.708 nan 8.240 nan 0.000 0.518 37 A N 2.660 125.437 122.820 -0.072 0.000 2.556 37 A HA 0.887 5.207 4.320 -0.000 0.000 0.294 37 A C -1.370 176.161 177.584 -0.088 0.000 1.091 37 A CA -1.017 50.972 52.037 -0.081 0.000 0.704 37 A CB 1.310 20.261 19.000 -0.082 0.000 1.300 37 A HN 0.900 nan 8.150 nan 0.000 0.406 38 L N -1.615 119.555 121.223 -0.087 0.000 2.469 38 L HA 1.030 5.370 4.340 -0.000 0.000 0.256 38 L C -0.183 176.646 176.870 -0.069 0.000 1.006 38 L CA -0.194 54.593 54.840 -0.090 0.000 0.832 38 L CB 1.656 43.664 42.059 -0.085 0.000 1.421 38 L HN 1.216 nan 8.230 nan 0.000 0.410 39 G N 1.381 110.142 108.800 -0.065 0.000 2.574 39 G HA2 0.810 4.770 3.960 -0.000 0.000 0.299 39 G HA3 0.810 4.770 3.960 -0.000 0.000 0.299 39 G C -1.340 173.552 174.900 -0.013 0.000 1.298 39 G CA -0.585 44.505 45.100 -0.016 0.000 0.952 39 G HN 1.219 nan 8.290 nan 0.000 0.477 40 M N 0.022 119.658 119.600 0.060 0.000 2.414 40 M HA 0.583 5.063 4.480 -0.000 0.000 0.287 40 M C -1.779 174.641 176.300 0.200 0.000 1.181 40 M CA -0.875 54.479 55.300 0.090 0.000 0.933 40 M CB 2.188 34.882 32.600 0.156 0.000 1.732 40 M HN 0.308 nan 8.290 nan 0.000 0.486 41 K N 2.831 123.329 120.400 0.162 0.000 2.185 41 K HA 0.697 5.017 4.320 -0.000 0.000 0.271 41 K C -1.008 175.778 176.600 0.309 0.000 1.013 41 K CA -0.115 56.249 56.287 0.129 0.000 0.943 41 K CB 0.857 33.386 32.500 0.047 0.000 0.998 41 K HN 0.554 nan 8.250 nan 0.000 0.468 42 F N -0.996 119.020 119.950 0.109 0.000 2.849 42 F HA 0.675 5.202 4.527 -0.000 0.000 0.341 42 F C -0.782 175.046 175.800 0.046 0.000 1.185 42 F CA -1.761 56.284 58.000 0.076 0.000 1.007 42 F CB 0.321 39.356 39.000 0.059 0.000 1.454 42 F HN 0.387 nan 8.300 nan 0.000 0.518 43 A N 1.214 124.202 122.820 0.280 0.000 2.515 43 A HA 0.234 4.554 4.320 -0.000 0.000 0.263 43 A C 0.272 177.856 177.584 -0.000 0.000 1.096 43 A CA 0.495 52.605 52.037 0.122 0.000 0.769 43 A CB -1.847 17.251 19.000 0.164 0.000 1.040 43 A HN 0.967 nan 8.150 nan 0.000 0.505 44 N N 0.184 118.823 118.700 -0.102 0.000 2.708 44 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 44 N C 0.334 175.652 175.510 -0.320 0.000 1.123 44 N CA 1.269 54.233 53.050 -0.143 0.000 0.739 44 N CB -0.910 37.553 38.487 -0.040 0.000 1.113 44 N HN 1.244 nan 8.380 nan 0.000 0.561 45 G N -1.725 106.649 108.800 -0.710 0.000 2.606 45 G HA2 0.700 4.660 3.960 -0.000 0.000 0.300 45 G HA3 0.700 4.660 3.960 -0.000 0.000 0.300 45 G C -1.797 172.417 174.900 -1.143 0.000 1.360 45 G CA -0.051 44.396 45.100 -1.089 0.000 0.783 45 G HN 0.384 nan 8.290 nan 0.000 0.484 46 V N -0.358 119.121 119.914 -0.725 0.000 3.048 46 V HA 0.797 4.917 4.120 -0.000 0.000 0.303 46 V C -1.524 174.708 176.094 0.230 0.000 1.214 46 V CA -0.567 61.630 62.300 -0.172 0.000 0.984 46 V CB 1.889 33.675 31.823 -0.062 0.000 1.054 46 V HN 1.439 nan 8.190 nan 0.000 0.430 47 L N 4.309 125.733 121.223 0.335 0.000 2.327 47 L HA 0.880 5.220 4.340 -0.000 0.000 0.258 47 L C -1.567 175.386 176.870 0.139 0.000 1.024 47 L CA -0.685 54.312 54.840 0.260 0.000 0.825 47 L CB 2.131 44.299 42.059 0.182 0.000 1.386 47 L HN 0.552 nan 8.230 nan 0.000 0.417 48 L N 2.074 123.348 121.223 0.084 0.000 2.381 48 L HA 0.678 5.018 4.340 -0.000 0.000 0.268 48 L C -1.040 175.786 176.870 -0.073 0.000 0.997 48 L CA -0.493 54.352 54.840 0.009 0.000 0.818 48 L CB 2.285 44.353 42.059 0.017 0.000 1.310 48 L HN 0.596 nan 8.230 nan 0.000 0.416 49 I N 1.368 121.882 120.570 -0.094 0.000 2.499 49 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 49 I C -0.482 175.575 176.117 -0.101 0.000 1.048 49 I CA -0.222 61.002 61.300 -0.127 0.000 1.062 49 I CB 2.279 40.187 38.000 -0.154 0.000 1.238 49 I HN 0.445 nan 8.210 nan 0.000 0.426 50 S N 3.894 119.538 115.700 -0.094 0.000 2.473 50 S HA 0.375 4.845 4.470 -0.000 0.000 0.307 50 S C -0.674 173.884 174.600 -0.070 0.000 1.094 50 S CA -0.571 57.581 58.200 -0.079 0.000 1.070 50 S CB 1.266 64.422 63.200 -0.073 0.000 1.019 50 S HN 0.623 nan 8.310 nan 0.000 0.480 51 D N 2.161 122.522 120.400 -0.064 0.000 2.447 51 D HA 0.606 5.246 4.640 -0.000 0.000 0.265 51 D C -0.512 175.762 176.300 -0.044 0.000 1.250 51 D CA 0.097 54.065 54.000 -0.053 0.000 1.046 51 D CB 0.655 41.423 40.800 -0.052 0.000 1.095 51 D HN 0.448 nan 8.370 nan 0.000 0.555 52 K N -0.152 120.227 120.400 -0.035 0.000 2.688 52 K HA 0.142 4.462 4.320 -0.000 0.000 0.270 52 K C -1.674 174.913 176.600 -0.022 0.000 1.013 52 K CA -0.402 55.867 56.287 -0.029 0.000 0.924 52 K CB 0.602 33.085 32.500 -0.028 0.000 1.378 52 K HN 0.227 nan 8.250 nan 0.000 0.402 53 K N 2.947 123.335 120.400 -0.020 0.000 2.363 53 K HA 0.187 4.507 4.320 -0.000 0.000 0.289 53 K C 0.177 176.769 176.600 -0.013 0.000 1.063 53 K CA -0.487 55.791 56.287 -0.015 0.000 0.967 53 K CB 0.332 32.823 32.500 -0.014 0.000 0.987 53 K HN 0.464 nan 8.250 nan 0.000 0.473 54 V N 1.851 121.758 119.914 -0.011 0.000 2.614 54 V HA 0.193 4.313 4.120 -0.000 0.000 0.291 54 V C 0.884 176.974 176.094 -0.007 0.000 1.049 54 V CA -0.637 61.658 62.300 -0.009 0.000 1.038 54 V CB 0.995 32.814 31.823 -0.007 0.000 0.980 54 V HN 0.600 nan 8.190 nan 0.000 0.481 55 R N 2.768 123.264 120.500 -0.006 0.000 0.731 55 R HA 0.355 4.695 4.340 -0.000 0.000 0.058 55 R C 1.368 177.665 176.300 -0.004 0.000 0.705 55 R CA 0.221 56.318 56.100 -0.005 0.000 2.145 55 R CB -1.020 29.277 30.300 -0.005 0.000 0.622 55 R HN 0.875 nan 8.270 nan 0.000 0.779 56 S N 0.636 116.334 115.700 -0.003 0.000 2.553 56 S HA -0.104 4.366 4.470 -0.000 0.000 0.271 56 S C 1.310 175.909 174.600 -0.002 0.000 1.362 56 S CA 0.337 58.535 58.200 -0.002 0.000 1.010 56 S CB 0.379 63.578 63.200 -0.002 0.000 0.865 56 S HN 0.440 nan 8.310 nan 0.000 0.543 57 R N 2.085 122.584 120.500 -0.002 0.000 2.299 57 R HA 0.158 4.498 4.340 -0.000 0.000 0.197 57 R C 1.339 177.639 176.300 -0.001 0.000 0.971 57 R CA 0.722 56.821 56.100 -0.001 0.000 1.030 57 R CB -0.393 29.907 30.300 -0.001 0.000 0.932 57 R HN 0.578 nan 8.270 nan 0.000 0.477 58 L N 0.768 121.991 121.223 -0.001 0.000 2.599 58 L HA 0.185 4.525 4.340 -0.000 0.000 0.230 58 L C 0.295 177.164 176.870 -0.001 0.000 1.141 58 L CA -0.170 54.670 54.840 -0.001 0.000 0.877 58 L CB -0.168 41.891 42.059 -0.001 0.000 1.009 58 L HN 0.108 nan 8.230 nan 0.000 0.447 59 I N -0.192 120.377 120.570 -0.001 0.000 2.581 59 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 59 I C 0.789 176.905 176.117 -0.001 0.000 1.047 59 I CA 0.079 61.378 61.300 -0.002 0.000 1.374 59 I CB 0.719 38.717 38.000 -0.003 0.000 1.423 59 I HN -0.051 nan 8.210 nan 0.000 0.549 60 E N 5.171 125.370 120.200 -0.001 0.000 2.105 60 E HA 0.136 4.486 4.350 -0.000 0.000 0.285 60 E C -0.577 176.022 176.600 -0.002 0.000 1.055 60 E CA -0.452 55.948 56.400 -0.001 0.000 0.843 60 E CB 0.983 30.683 29.700 -0.001 0.000 1.067 60 E HN 0.367 nan 8.360 nan 0.000 0.398 61 Q N 2.196 121.995 119.800 -0.001 0.000 2.340 61 Q HA 0.085 4.425 4.340 -0.000 0.000 0.249 61 Q C 0.524 176.525 176.000 0.001 0.000 0.957 61 Q CA 0.556 56.358 55.803 -0.000 0.000 0.882 61 Q CB 0.517 29.256 28.738 0.002 0.000 1.235 61 Q HN 0.636 nan 8.270 nan 0.000 0.439 62 N N -0.421 118.279 118.700 -0.000 0.000 2.973 62 N HA -0.201 4.539 4.740 -0.000 0.000 0.179 62 N C 0.345 175.854 175.510 -0.003 0.000 1.359 62 N CA 1.514 54.565 53.050 0.001 0.000 1.332 62 N CB -1.701 36.788 38.487 0.003 0.000 0.985 62 N HN 0.377 nan 8.380 nan 0.000 0.570 63 S N -0.313 115.385 115.700 -0.004 0.000 2.501 63 S HA 0.322 4.792 4.470 -0.000 0.000 0.220 63 S C 0.447 175.042 174.600 -0.009 0.000 0.997 63 S CA -0.255 57.941 58.200 -0.006 0.000 0.919 63 S CB -0.130 63.067 63.200 -0.004 0.000 0.778 63 S HN 0.362 nan 8.310 nan 0.000 0.523 64 I N 3.429 123.993 120.570 -0.009 0.000 2.996 64 I HA -0.088 4.082 4.170 -0.000 0.000 0.310 64 I C 0.741 176.846 176.117 -0.019 0.000 1.225 64 I CA 1.030 62.322 61.300 -0.013 0.000 1.442 64 I CB -0.129 37.864 38.000 -0.011 0.000 1.334 64 I HN 0.450 nan 8.210 nan 0.000 0.550 65 E N 5.749 125.934 120.200 -0.025 0.000 2.968 65 E HA 0.127 4.477 4.350 -0.000 0.000 0.202 65 E C 0.761 177.335 176.600 -0.043 0.000 0.979 65 E CA -0.500 55.882 56.400 -0.030 0.000 1.192 65 E CB 0.556 30.242 29.700 -0.024 0.000 1.059 65 E HN 0.428 nan 8.360 nan 0.000 0.470 66 K N 0.881 121.252 120.400 -0.047 0.000 2.005 66 K HA 0.137 4.457 4.320 -0.000 0.000 0.206 66 K C 1.034 177.586 176.600 -0.081 0.000 1.044 66 K CA 0.667 56.918 56.287 -0.061 0.000 0.942 66 K CB 0.206 32.672 32.500 -0.057 0.000 0.727 66 K HN 0.206 nan 8.250 nan 0.000 0.439 67 I N 3.191 123.712 120.570 -0.083 0.000 2.352 67 I HA 0.041 4.211 4.170 -0.000 0.000 0.290 67 I C 0.025 176.073 176.117 -0.115 0.000 1.036 67 I CA -0.164 61.071 61.300 -0.110 0.000 1.336 67 I CB 0.824 38.760 38.000 -0.106 0.000 1.407 67 I HN -0.001 nan 8.210 nan 0.000 0.497 68 Q N 7.083 126.802 119.800 -0.135 0.000 2.333 68 Q HA 0.485 4.825 4.340 -0.000 0.000 0.268 68 Q C -0.686 175.225 176.000 -0.147 0.000 1.007 68 Q CA -0.834 54.899 55.803 -0.116 0.000 0.810 68 Q CB 2.923 31.608 28.738 -0.090 0.000 1.264 68 Q HN 0.600 nan 8.270 nan 0.000 0.452 69 L N 3.217 124.352 121.223 -0.147 0.000 2.455 69 L HA 0.029 4.369 4.340 -0.000 0.000 0.272 69 L C 1.213 178.042 176.870 -0.068 0.000 1.174 69 L CA -0.151 54.594 54.840 -0.158 0.000 0.869 69 L CB 0.289 42.268 42.059 -0.133 0.000 1.130 69 L HN 0.556 nan 8.230 nan 0.000 0.474 70 I N 0.821 121.376 120.570 -0.025 0.000 2.729 70 I HA 0.048 4.218 4.170 -0.000 0.000 0.256 70 I C 0.729 176.869 176.117 0.039 0.000 1.115 70 I CA 0.977 62.302 61.300 0.042 0.000 1.446 70 I CB -0.809 37.269 38.000 0.130 0.000 1.176 70 I HN 0.725 nan 8.210 nan 0.000 0.446 71 D N -1.323 119.108 120.400 0.052 0.000 3.009 71 D HA 0.081 4.721 4.640 -0.000 0.000 0.318 71 D C 0.340 176.647 176.300 0.010 0.000 1.273 71 D CA -0.383 53.644 54.000 0.045 0.000 1.001 71 D CB 0.251 41.106 40.800 0.092 0.000 1.411 71 D HN -0.280 nan 8.370 nan 0.000 0.577 72 D N -1.479 118.874 120.400 -0.078 0.000 2.310 72 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 72 D C 0.540 176.625 176.300 -0.358 0.000 0.965 72 D CA 1.153 54.970 54.000 -0.304 0.000 0.879 72 D CB -0.011 40.429 40.800 -0.599 0.000 0.921 72 D HN 0.383 nan 8.370 nan 0.000 0.510 73 Y N -0.850 119.586 120.300 0.226 0.000 2.500 73 Y HA 0.272 4.822 4.550 -0.000 0.000 0.246 73 Y C 0.071 176.190 175.900 0.366 0.000 1.146 73 Y CA -0.308 57.937 58.100 0.241 0.000 1.230 73 Y CB 1.232 39.764 38.460 0.120 0.000 1.214 73 Y HN -0.326 nan 8.280 nan 0.000 0.526 74 V N 0.334 120.517 119.914 0.448 0.000 2.711 74 V HA 0.814 4.934 4.120 -0.000 0.000 0.304 74 V C -0.597 175.548 176.094 0.085 0.000 1.097 74 V CA -1.191 61.325 62.300 0.360 0.000 0.906 74 V CB 1.382 33.367 31.823 0.270 0.000 1.015 74 V HN 0.081 nan 8.190 nan 0.000 0.427 75 A N 3.213 126.015 122.820 -0.030 0.000 2.423 75 A HA 1.077 5.397 4.320 -0.000 0.000 0.304 75 A C -0.455 177.071 177.584 -0.096 0.000 1.104 75 A CA -0.219 51.654 52.037 -0.272 0.000 0.757 75 A CB 2.090 20.619 19.000 -0.786 0.000 1.313 75 A HN 1.742 nan 8.150 nan 0.000 0.423 76 A N 0.104 122.813 122.820 -0.184 0.000 2.454 76 A HA 0.786 5.106 4.320 -0.000 0.000 0.302 76 A C -0.909 176.523 177.584 -0.253 0.000 1.079 76 A CA -0.497 51.350 52.037 -0.317 0.000 0.731 76 A CB 1.411 20.085 19.000 -0.544 0.000 1.299 76 A HN 1.637 nan 8.150 nan 0.000 0.413 77 V N 0.363 120.122 119.914 -0.259 0.000 2.823 77 V HA 0.869 4.989 4.120 -0.000 0.000 0.312 77 V C 0.222 176.196 176.094 -0.201 0.000 1.072 77 V CA -0.255 61.933 62.300 -0.186 0.000 0.937 77 V CB 1.631 33.375 31.823 -0.133 0.000 1.013 77 V HN 1.250 nan 8.190 nan 0.000 0.430 78 T N -0.791 113.674 114.554 -0.147 0.000 2.916 78 T HA 0.831 5.181 4.350 -0.000 0.000 0.292 78 T C -0.516 174.136 174.700 -0.081 0.000 1.064 78 T CA -0.715 61.310 62.100 -0.124 0.000 1.011 78 T CB 1.952 70.753 68.868 -0.113 0.000 1.152 78 T HN 1.008 nan 8.240 nan 0.000 0.510 79 S N -0.507 115.157 115.700 -0.060 0.000 2.541 79 S HA 0.823 5.293 4.470 -0.000 0.000 0.271 79 S C 0.052 174.641 174.600 -0.018 0.000 1.133 79 S CA 0.637 58.814 58.200 -0.038 0.000 0.876 79 S CB 0.900 64.077 63.200 -0.039 0.000 1.105 79 S HN 2.268 nan 8.310 nan 0.000 0.470 80 G N 2.445 111.241 108.800 -0.008 0.000 2.295 80 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.195 80 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.195 80 G C -1.386 173.521 174.900 0.012 0.000 1.269 80 G CA -0.549 44.557 45.100 0.009 0.000 1.170 80 G HN 1.030 nan 8.290 nan 0.000 0.511 81 L N 1.799 123.038 121.223 0.027 0.000 2.477 81 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 81 L C 2.282 179.167 176.870 0.025 0.000 1.157 81 L CA 0.079 54.937 54.840 0.029 0.000 0.889 81 L CB 1.020 43.105 42.059 0.042 0.000 1.158 81 L HN 0.757 nan 8.230 nan 0.000 0.473 82 V N 1.012 120.935 119.914 0.015 0.000 2.453 82 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 82 V C 2.214 178.318 176.094 0.016 0.000 1.048 82 V CA 1.521 63.825 62.300 0.008 0.000 1.049 82 V CB -0.889 30.934 31.823 0.000 0.000 0.672 82 V HN 0.894 nan 8.190 nan 0.000 0.457 83 A N 0.748 123.583 122.820 0.025 0.000 1.873 83 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 83 A C 1.888 179.506 177.584 0.057 0.000 1.186 83 A CA 1.865 53.922 52.037 0.034 0.000 0.616 83 A CB -0.881 18.138 19.000 0.031 0.000 0.823 83 A HN 0.514 nan 8.150 nan 0.000 0.442 84 D N 0.278 120.725 120.400 0.078 0.000 2.133 84 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 84 D C 2.145 178.501 176.300 0.094 0.000 0.997 84 D CA 1.734 55.823 54.000 0.149 0.000 0.840 84 D CB -0.345 40.568 40.800 0.188 0.000 0.947 84 D HN 0.439 nan 8.370 nan 0.000 0.452 85 A N 0.311 123.155 122.820 0.039 0.000 1.930 85 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 85 A C 2.151 179.726 177.584 -0.015 0.000 1.175 85 A CA 1.374 53.405 52.037 -0.011 0.000 0.627 85 A CB -0.423 18.563 19.000 -0.024 0.000 0.815 85 A HN 0.111 nan 8.150 nan 0.000 0.443 86 R N -0.262 120.241 120.500 0.005 0.000 2.073 86 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 86 R C 1.922 178.237 176.300 0.026 0.000 1.134 86 R CA 1.812 57.918 56.100 0.010 0.000 0.952 86 R CB -0.420 29.889 30.300 0.015 0.000 0.850 86 R HN 0.305 nan 8.270 nan 0.000 0.433 87 V N 1.372 121.313 119.914 0.044 0.000 2.392 87 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 87 V C 2.325 178.442 176.094 0.039 0.000 1.059 87 V CA 1.652 63.992 62.300 0.067 0.000 1.051 87 V CB -0.336 31.557 31.823 0.117 0.000 0.658 87 V HN 0.358 nan 8.190 nan 0.000 0.455 88 L N -0.859 120.334 121.223 -0.051 0.000 2.109 88 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 88 L C 2.414 179.319 176.870 0.059 0.000 1.086 88 L CA 0.765 55.541 54.840 -0.107 0.000 0.760 88 L CB -0.420 41.478 42.059 -0.269 0.000 0.910 88 L HN 0.189 nan 8.230 nan 0.000 0.437 89 V N -0.098 119.834 119.914 0.030 0.000 2.358 89 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 89 V C 2.068 178.203 176.094 0.068 0.000 1.047 89 V CA 1.804 64.133 62.300 0.048 0.000 1.035 89 V CB -0.506 31.313 31.823 -0.007 0.000 0.658 89 V HN 0.448 nan 8.190 nan 0.000 0.452 90 D N -0.393 120.045 120.400 0.064 0.000 2.117 90 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 90 D C 1.911 178.252 176.300 0.067 0.000 0.987 90 D CA 1.303 55.336 54.000 0.055 0.000 0.829 90 D CB -0.380 40.453 40.800 0.055 0.000 0.961 90 D HN 0.465 nan 8.370 nan 0.000 0.460 91 F N 1.963 121.900 119.950 -0.021 0.000 2.095 91 F HA -0.222 4.305 4.527 0.000 0.000 0.298 91 F C 2.311 178.103 175.800 -0.014 0.000 1.104 91 F CA 1.858 59.842 58.000 -0.027 0.000 1.232 91 F CB -0.192 38.768 39.000 -0.067 0.000 0.987 91 F HN -0.049 nan 8.300 nan 0.000 0.475 92 A N 0.546 123.474 122.820 0.180 0.000 1.908 92 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 92 A C 2.306 179.883 177.584 -0.011 0.000 1.181 92 A CA 1.843 53.946 52.037 0.110 0.000 0.627 92 A CB -0.755 18.416 19.000 0.284 0.000 0.818 92 A HN 0.487 nan 8.150 nan 0.000 0.445 93 R N -0.748 119.751 120.500 -0.001 0.000 2.073 93 R HA -0.022 4.318 4.340 -0.000 0.000 0.234 93 R C 2.000 178.257 176.300 -0.071 0.000 1.134 93 R CA 1.651 57.740 56.100 -0.019 0.000 0.952 93 R CB -0.429 29.867 30.300 -0.006 0.000 0.850 93 R HN 0.570 nan 8.270 nan 0.000 0.433 94 I N -0.159 120.335 120.570 -0.128 0.000 2.353 94 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 94 I C 2.534 178.518 176.117 -0.223 0.000 1.119 94 I CA 0.894 62.099 61.300 -0.159 0.000 1.417 94 I CB -0.189 37.705 38.000 -0.177 0.000 1.078 94 I HN 0.142 nan 8.210 nan 0.000 0.421 95 S N 0.561 116.048 115.700 -0.356 0.000 2.383 95 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 95 S C 2.202 176.706 174.600 -0.159 0.000 1.026 95 S CA 1.317 59.312 58.200 -0.342 0.000 0.981 95 S CB -0.130 62.759 63.200 -0.518 0.000 0.818 95 S HN 0.460 nan 8.310 nan 0.000 0.472 96 A N 1.119 123.875 122.820 -0.106 0.000 1.902 96 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 96 A C 2.210 179.781 177.584 -0.021 0.000 1.181 96 A CA 1.345 53.359 52.037 -0.039 0.000 0.623 96 A CB -0.628 18.373 19.000 0.001 0.000 0.818 96 A HN 0.531 nan 8.150 nan 0.000 0.443 97 Q N -0.122 119.656 119.800 -0.037 0.000 2.119 97 Q HA -0.194 4.146 4.340 -0.000 0.000 0.201 97 Q C 2.143 178.121 176.000 -0.036 0.000 0.972 97 Q CA 1.717 57.505 55.803 -0.025 0.000 0.847 97 Q CB -0.499 28.221 28.738 -0.031 0.000 0.903 97 Q HN 0.836 nan 8.270 nan 0.000 0.433 98 Q N 0.489 120.251 119.800 -0.064 0.000 2.050 98 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 98 Q C 2.046 178.017 176.000 -0.050 0.000 0.980 98 Q CA 1.408 57.170 55.803 -0.069 0.000 0.840 98 Q CB -0.141 28.542 28.738 -0.093 0.000 0.898 98 Q HN 0.461 nan 8.270 nan 0.000 0.424 99 E N 1.195 121.391 120.200 -0.007 0.000 2.085 99 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 99 E C 1.697 178.359 176.600 0.104 0.000 0.994 99 E CA 1.135 57.589 56.400 0.090 0.000 0.801 99 E CB 0.164 29.935 29.700 0.119 0.000 0.743 99 E HN 0.201 nan 8.360 nan 0.000 0.453 100 K N -0.180 120.253 120.400 0.054 0.000 2.097 100 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 100 K C 2.108 178.721 176.600 0.022 0.000 1.050 100 K CA 1.118 57.438 56.287 0.056 0.000 0.938 100 K CB 0.097 32.626 32.500 0.048 0.000 0.718 100 K HN 0.039 nan 8.250 nan 0.000 0.442 101 V N 1.030 120.933 119.914 -0.018 0.000 2.323 101 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 101 V C 2.084 178.120 176.094 -0.097 0.000 1.041 101 V CA 1.957 64.230 62.300 -0.045 0.000 1.025 101 V CB -0.435 31.356 31.823 -0.053 0.000 0.656 101 V HN 0.380 nan 8.190 nan 0.000 0.451 102 T N -0.534 113.911 114.554 -0.182 0.000 2.652 102 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 102 T C 1.530 175.944 174.700 -0.477 0.000 1.039 102 T CA 2.222 64.077 62.100 -0.408 0.000 1.153 102 T CB -0.288 68.185 68.868 -0.658 0.000 0.863 102 T HN 0.571 nan 8.240 nan 0.000 0.428 103 Y N -0.424 119.867 120.300 -0.016 0.000 2.445 103 Y HA 0.453 5.003 4.550 -0.000 0.000 0.247 103 Y C 1.970 177.862 175.900 -0.013 0.000 1.129 103 Y CA -0.170 57.921 58.100 -0.015 0.000 1.251 103 Y CB 0.220 38.669 38.460 -0.018 0.000 1.176 103 Y HN 0.337 nan 8.280 nan 0.000 0.522 104 G N 0.480 109.342 108.800 0.102 0.000 2.253 104 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 104 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 104 G C 0.331 175.271 174.900 0.067 0.000 0.998 104 G CA 0.389 45.529 45.100 0.066 0.000 0.621 104 G HN 0.728 nan 8.290 nan 0.000 0.524 105 S N -1.679 114.077 115.700 0.092 0.000 2.636 105 S HA 0.666 5.136 4.470 -0.000 0.000 0.266 105 S C -1.178 173.457 174.600 0.058 0.000 1.147 105 S CA -0.384 57.849 58.200 0.055 0.000 0.815 105 S CB 1.774 64.978 63.200 0.006 0.000 1.119 105 S HN 1.147 nan 8.310 nan 0.000 0.470 106 L N 2.631 123.867 121.223 0.022 0.000 2.283 106 L HA 0.519 4.859 4.340 -0.000 0.000 0.281 106 L C 0.381 177.228 176.870 -0.038 0.000 1.033 106 L CA -0.487 54.355 54.840 0.004 0.000 0.848 106 L CB 1.040 43.116 42.059 0.028 0.000 1.226 106 L HN 0.760 nan 8.230 nan 0.000 0.429 107 V N 3.237 123.110 119.914 -0.069 0.000 2.488 107 V HA 0.009 4.129 4.120 -0.000 0.000 0.246 107 V C 0.652 176.711 176.094 -0.059 0.000 1.046 107 V CA 1.023 63.276 62.300 -0.078 0.000 1.053 107 V CB -0.324 31.433 31.823 -0.111 0.000 0.679 107 V HN 0.745 nan 8.190 nan 0.000 0.458 108 N N -0.558 118.106 118.700 -0.060 0.000 2.549 108 N HA 0.316 5.056 4.740 -0.000 0.000 0.281 108 N C 0.391 175.873 175.510 -0.046 0.000 1.084 108 N CA -0.267 52.761 53.050 -0.036 0.000 0.862 108 N CB 1.451 39.910 38.487 -0.048 0.000 1.333 108 N HN 0.106 nan 8.380 nan 0.000 0.523 109 I N 1.490 122.058 120.570 -0.003 0.000 2.381 109 I HA -0.274 3.896 4.170 -0.000 0.000 0.255 109 I C 2.098 178.070 176.117 -0.241 0.000 1.140 109 I CA 1.106 62.383 61.300 -0.040 0.000 1.404 109 I CB 0.118 38.184 38.000 0.109 0.000 1.075 109 I HN 0.657 nan 8.210 nan 0.000 0.433 110 E N 1.209 121.262 120.200 -0.245 0.000 2.118 110 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 110 E C 1.747 178.108 176.600 -0.399 0.000 0.992 110 E CA 1.750 57.819 56.400 -0.553 0.000 0.804 110 E CB 0.020 29.587 29.700 -0.222 0.000 0.741 110 E HN 0.597 nan 8.360 nan 0.000 0.458 111 N N 0.373 118.934 118.700 -0.232 0.000 2.188 111 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 111 N C 1.709 177.106 175.510 -0.187 0.000 1.018 111 N CA 0.866 53.811 53.050 -0.174 0.000 0.858 111 N CB -0.204 38.215 38.487 -0.114 0.000 0.989 111 N HN 0.104 nan 8.380 nan 0.000 0.426 112 L N 0.847 121.941 121.223 -0.215 0.000 2.012 112 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 112 L C 1.766 178.415 176.870 -0.368 0.000 1.073 112 L CA 1.526 56.224 54.840 -0.236 0.000 0.748 112 L CB -0.618 41.306 42.059 -0.225 0.000 0.891 112 L HN 0.010 nan 8.230 nan 0.000 0.431 113 V N -0.274 119.294 119.914 -0.577 0.000 2.407 113 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 113 V C 2.610 178.482 176.094 -0.371 0.000 1.055 113 V CA 2.069 63.941 62.300 -0.714 0.000 1.049 113 V CB -0.789 30.502 31.823 -0.887 0.000 0.662 113 V HN 0.469 nan 8.190 nan 0.000 0.455 114 K N -0.137 120.086 120.400 -0.296 0.000 2.057 114 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 114 K C 2.403 178.956 176.600 -0.079 0.000 1.049 114 K CA 1.372 57.564 56.287 -0.158 0.000 0.931 114 K CB -0.232 32.187 32.500 -0.134 0.000 0.714 114 K HN 0.427 nan 8.250 nan 0.000 0.440 115 R N 0.412 120.882 120.500 -0.051 0.000 2.096 115 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 115 R C 2.320 178.690 176.300 0.116 0.000 1.127 115 R CA 1.161 57.304 56.100 0.073 0.000 0.968 115 R CB -0.398 29.971 30.300 0.116 0.000 0.861 115 R HN 0.016 nan 8.270 nan 0.000 0.440 116 V N 1.066 121.018 119.914 0.063 0.000 2.307 116 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 116 V C 2.477 178.491 176.094 -0.133 0.000 1.045 116 V CA 1.941 64.232 62.300 -0.015 0.000 1.024 116 V CB -0.744 31.102 31.823 0.039 0.000 0.651 116 V HN 0.381 nan 8.190 nan 0.000 0.449 117 A N -0.138 122.633 122.820 -0.081 0.000 1.978 117 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 117 A C 1.933 179.492 177.584 -0.043 0.000 1.170 117 A CA 2.037 54.042 52.037 -0.053 0.000 0.636 117 A CB -0.580 18.400 19.000 -0.034 0.000 0.810 117 A HN 0.556 nan 8.150 nan 0.000 0.448 118 D N -1.041 119.336 120.400 -0.038 0.000 2.144 118 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 118 D C 2.061 178.358 176.300 -0.004 0.000 0.978 118 D CA 1.601 55.601 54.000 0.001 0.000 0.833 118 D CB -0.301 40.513 40.800 0.024 0.000 0.961 118 D HN 0.625 nan 8.370 nan 0.000 0.470 119 Q N 0.125 119.849 119.800 -0.128 0.000 2.119 119 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 119 Q C 1.952 177.900 176.000 -0.086 0.000 0.972 119 Q CA 1.282 56.950 55.803 -0.225 0.000 0.847 119 Q CB -0.106 28.156 28.738 -0.792 0.000 0.903 119 Q HN 0.244 nan 8.270 nan 0.000 0.433 120 M N -0.501 119.031 119.600 -0.114 0.000 2.236 120 M HA -0.093 4.387 4.480 -0.000 0.000 0.266 120 M C 2.254 178.656 176.300 0.169 0.000 1.070 120 M CA 1.207 56.537 55.300 0.050 0.000 1.137 120 M CB -0.247 32.328 32.600 -0.042 0.000 1.378 120 M HN 0.231 nan 8.290 nan 0.000 0.426 121 Q N 1.214 121.079 119.800 0.109 0.000 2.096 121 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 121 Q C 1.763 177.874 176.000 0.185 0.000 0.982 121 Q CA 1.908 57.782 55.803 0.118 0.000 0.850 121 Q CB -0.233 28.553 28.738 0.079 0.000 0.901 121 Q HN 0.602 nan 8.270 nan 0.000 0.422 122 Q N -1.025 118.936 119.800 0.269 0.000 2.170 122 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 122 Q C 1.161 177.394 176.000 0.389 0.000 0.976 122 Q CA 1.115 57.144 55.803 0.377 0.000 0.858 122 Q CB -0.004 28.952 28.738 0.363 0.000 0.907 122 Q HN 0.429 nan 8.270 nan 0.000 0.433 123 Y N -0.470 119.911 120.300 0.135 0.000 2.502 123 Y HA -0.031 4.519 4.550 -0.000 0.000 0.295 123 Y C 1.839 177.755 175.900 0.027 0.000 1.193 123 Y CA 1.007 59.145 58.100 0.065 0.000 1.295 123 Y CB 0.041 38.489 38.460 -0.020 0.000 1.059 123 Y HN 0.136 nan 8.280 nan 0.000 0.514 124 T N -4.866 109.769 114.554 0.135 0.000 3.040 124 T HA 0.111 4.461 4.350 -0.000 0.000 0.266 124 T C 1.263 175.917 174.700 -0.077 0.000 1.005 124 T CA 0.046 62.154 62.100 0.013 0.000 0.906 124 T CB 0.315 69.185 68.868 0.003 0.000 1.082 124 T HN 0.321 nan 8.240 nan 0.000 0.531 125 Q N -0.511 119.240 119.800 -0.083 0.000 2.322 125 Q HA 0.325 4.665 4.340 -0.000 0.000 0.250 125 Q C -0.920 174.776 176.000 -0.507 0.000 0.853 125 Q CA -0.248 55.376 55.803 -0.298 0.000 0.951 125 Q CB 0.711 29.232 28.738 -0.362 0.000 1.114 125 Q HN 0.642 nan 8.270 nan 0.000 0.523 126 Y N -0.162 120.080 120.300 -0.096 0.000 2.331 126 Y HA 0.548 5.098 4.550 -0.000 0.000 0.338 126 Y C 0.798 176.627 175.900 -0.120 0.000 0.992 126 Y CA -0.801 57.233 58.100 -0.110 0.000 1.121 126 Y CB 1.465 39.840 38.460 -0.140 0.000 1.184 126 Y HN 0.021 nan 8.280 nan 0.000 0.469 127 G N 0.695 109.505 108.800 0.017 0.000 2.559 127 G HA2 0.360 4.320 3.960 -0.000 0.000 0.235 127 G HA3 0.360 4.320 3.960 -0.000 0.000 0.235 127 G C 0.896 175.788 174.900 -0.014 0.000 1.266 127 G CA 0.219 45.313 45.100 -0.011 0.000 0.847 127 G HN 1.316 nan 8.290 nan 0.000 0.583 128 G N -1.563 107.216 108.800 -0.035 0.000 2.176 128 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.232 128 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.232 128 G C 0.050 174.903 174.900 -0.078 0.000 0.986 128 G CA 0.435 45.507 45.100 -0.048 0.000 0.643 128 G HN 1.663 nan 8.290 nan 0.000 0.522 129 V N 0.917 120.773 119.914 -0.096 0.000 3.012 129 V HA 0.769 4.889 4.120 -0.000 0.000 0.307 129 V C 0.053 176.098 176.094 -0.082 0.000 1.166 129 V CA -0.524 61.692 62.300 -0.140 0.000 0.974 129 V CB 1.977 33.588 31.823 -0.353 0.000 1.040 129 V HN 0.796 nan 8.190 nan 0.000 0.428 130 R N 4.522 124.995 120.500 -0.045 0.000 2.643 130 R HA 0.765 5.105 4.340 -0.000 0.000 0.272 130 R C -2.789 173.515 176.300 0.007 0.000 0.995 130 R CA -1.884 54.206 56.100 -0.017 0.000 1.032 130 R CB 0.900 31.193 30.300 -0.012 0.000 1.126 130 R HN 0.371 nan 8.270 nan 0.000 0.505 131 P HA -0.044 nan 4.420 nan 0.000 0.270 131 P C -1.118 176.168 177.300 -0.024 0.000 1.223 131 P CA -0.019 63.114 63.100 0.056 0.000 0.785 131 P CB 0.183 31.927 31.700 0.072 0.000 0.923 132 Y N -0.051 120.264 120.300 0.026 0.000 2.465 132 Y HA 0.285 4.835 4.550 0.000 0.000 0.331 132 Y C 1.854 177.755 175.900 0.002 0.000 1.102 132 Y CA 0.334 58.420 58.100 -0.023 0.000 1.358 132 Y CB -0.077 38.325 38.460 -0.096 0.000 1.213 132 Y HN 0.387 nan 8.280 nan 0.000 0.525 133 G N 3.509 112.396 108.800 0.145 0.000 3.636 133 G HA2 0.426 4.386 3.960 -0.000 0.000 0.260 133 G HA3 0.426 4.386 3.960 -0.000 0.000 0.260 133 G C -0.954 173.996 174.900 0.083 0.000 1.014 133 G CA -0.131 45.027 45.100 0.097 0.000 1.797 133 G HN 0.415 nan 8.290 nan 0.000 0.637 134 V N -0.035 119.930 119.914 0.085 0.000 2.808 134 V HA 0.530 4.650 4.120 -0.000 0.000 0.308 134 V C -0.241 175.867 176.094 0.023 0.000 1.099 134 V CA -0.765 61.559 62.300 0.040 0.000 0.920 134 V CB 2.176 34.012 31.823 0.021 0.000 1.014 134 V HN 0.316 nan 8.190 nan 0.000 0.425 135 S N 3.904 119.605 115.700 0.002 0.000 2.549 135 S HA 0.886 5.356 4.470 -0.000 0.000 0.297 135 S C -0.843 173.726 174.600 -0.051 0.000 1.115 135 S CA -0.477 57.720 58.200 -0.005 0.000 1.059 135 S CB 1.459 64.661 63.200 0.004 0.000 1.046 135 S HN 0.459 nan 8.310 nan 0.000 0.506 136 L N 2.389 123.578 121.223 -0.057 0.000 2.370 136 L HA 0.648 4.988 4.340 -0.000 0.000 0.266 136 L C -0.783 176.000 176.870 -0.144 0.000 1.002 136 L CA -0.322 54.401 54.840 -0.195 0.000 0.818 136 L CB 1.391 43.236 42.059 -0.356 0.000 1.325 136 L HN 0.536 nan 8.230 nan 0.000 0.418 137 I N 1.605 122.034 120.570 -0.236 0.000 2.404 137 I HA 0.435 4.605 4.170 -0.000 0.000 0.293 137 I C -1.059 174.914 176.117 -0.241 0.000 0.992 137 I CA -0.308 60.932 61.300 -0.100 0.000 1.149 137 I CB 1.411 39.374 38.000 -0.062 0.000 1.315 137 I HN 0.330 nan 8.210 nan 0.000 0.446 138 F N 4.402 124.439 119.950 0.145 0.000 2.443 138 F HA 0.759 5.286 4.527 -0.000 0.000 0.335 138 F C 0.329 176.255 175.800 0.210 0.000 1.104 138 F CA -0.583 57.514 58.000 0.161 0.000 1.013 138 F CB 1.911 41.016 39.000 0.175 0.000 1.136 138 F HN 0.417 nan 8.300 nan 0.000 0.470 139 A N 1.904 124.947 122.820 0.372 0.000 2.427 139 A HA 0.904 5.224 4.320 -0.000 0.000 0.298 139 A C -0.480 177.345 177.584 0.402 0.000 1.036 139 A CA -0.066 52.166 52.037 0.326 0.000 0.701 139 A CB 1.386 20.550 19.000 0.272 0.000 1.250 139 A HN 1.125 nan 8.150 nan 0.000 0.412 140 G N 0.467 109.453 108.800 0.310 0.000 2.427 140 G HA2 0.520 4.480 3.960 -0.000 0.000 0.306 140 G HA3 0.520 4.480 3.960 -0.000 0.000 0.306 140 G C -1.733 173.256 174.900 0.149 0.000 1.280 140 G CA -0.548 44.727 45.100 0.291 0.000 0.837 140 G HN 0.768 nan 8.290 nan 0.000 0.482 141 I N 1.863 122.516 120.570 0.138 0.000 2.474 141 I HA 0.501 4.671 4.170 -0.000 0.000 0.294 141 I C -0.819 175.323 176.117 0.040 0.000 1.005 141 I CA -0.583 60.752 61.300 0.059 0.000 1.113 141 I CB 1.339 39.354 38.000 0.025 0.000 1.289 141 I HN 0.827 nan 8.210 nan 0.000 0.436 142 D N 4.147 124.551 120.400 0.007 0.000 2.846 142 D HA 0.203 4.843 4.640 -0.000 0.000 0.273 142 D C 0.422 176.692 176.300 -0.051 0.000 1.145 142 D CA -0.441 53.542 54.000 -0.029 0.000 1.091 142 D CB 0.489 41.294 40.800 0.008 0.000 1.364 142 D HN 0.296 nan 8.370 nan 0.000 0.613 143 Q N -0.513 119.255 119.800 -0.053 0.000 2.369 143 Q HA 0.032 4.372 4.340 -0.000 0.000 0.206 143 Q C 1.783 177.762 176.000 -0.035 0.000 0.963 143 Q CA 0.753 56.525 55.803 -0.052 0.000 0.894 143 Q CB 0.161 28.867 28.738 -0.053 0.000 0.965 143 Q HN 0.513 nan 8.270 nan 0.000 0.475 144 I N -0.830 119.728 120.570 -0.021 0.000 2.400 144 I HA 0.083 4.253 4.170 -0.000 0.000 0.248 144 I C 1.369 177.474 176.117 -0.020 0.000 1.109 144 I CA 1.360 62.652 61.300 -0.013 0.000 1.425 144 I CB -0.835 37.169 38.000 0.006 0.000 1.094 144 I HN 0.180 nan 8.210 nan 0.000 0.425 145 G N 0.386 109.174 108.800 -0.020 0.000 2.356 145 G HA2 0.096 4.056 3.960 -0.000 0.000 0.266 145 G HA3 0.096 4.056 3.960 -0.000 0.000 0.266 145 G C -3.110 171.771 174.900 -0.032 0.000 1.312 145 G CA -0.837 44.242 45.100 -0.035 0.000 0.922 145 G HN -0.140 nan 8.290 nan 0.000 0.480 146 P HA 0.428 nan 4.420 nan 0.000 0.268 146 P C -0.615 176.661 177.300 -0.041 0.000 1.204 146 P CA 0.084 63.142 63.100 -0.069 0.000 0.768 146 P CB 0.545 32.151 31.700 -0.155 0.000 0.842 147 R N 2.553 123.060 120.500 0.011 0.000 2.750 147 R HA 0.744 5.084 4.340 -0.000 0.000 0.281 147 R C -1.102 175.199 176.300 0.001 0.000 0.972 147 R CA -1.092 55.006 56.100 -0.004 0.000 0.912 147 R CB 1.535 31.948 30.300 0.187 0.000 1.187 147 R HN 0.386 nan 8.270 nan 0.000 0.464 148 L N 2.069 123.171 121.223 -0.202 0.000 2.505 148 L HA 0.599 4.939 4.340 -0.000 0.000 0.266 148 L C -1.794 174.941 176.870 -0.226 0.000 0.954 148 L CA -0.321 54.486 54.840 -0.056 0.000 0.852 148 L CB 1.445 43.501 42.059 -0.006 0.000 1.282 148 L HN 0.542 nan 8.230 nan 0.000 0.403 149 F N 2.750 122.845 119.950 0.241 0.000 2.576 149 F HA 0.603 5.130 4.527 -0.000 0.000 0.313 149 F C -0.421 175.573 175.800 0.323 0.000 1.078 149 F CA -0.555 57.609 58.000 0.274 0.000 0.921 149 F CB 2.102 41.233 39.000 0.218 0.000 1.232 149 F HN 0.617 nan 8.300 nan 0.000 0.459 150 D N 0.382 121.116 120.400 0.557 0.000 2.414 150 D HA 0.577 5.217 4.640 -0.000 0.000 0.241 150 D C -1.357 175.152 176.300 0.349 0.000 1.008 150 D CA -0.736 53.494 54.000 0.384 0.000 1.001 150 D CB 1.847 42.789 40.800 0.237 0.000 1.277 150 D HN 0.627 nan 8.370 nan 0.000 0.538 151 C N 1.694 121.141 119.300 0.245 0.000 2.811 151 C HA 0.578 5.038 4.460 -0.000 0.000 0.352 151 C C -1.659 173.402 174.990 0.119 0.000 1.098 151 C CA -0.414 58.720 59.018 0.194 0.000 1.295 151 C CB 0.511 28.409 27.740 0.265 0.000 1.758 151 C HN 0.820 nan 8.230 nan 0.000 0.488 152 D N 4.701 125.157 120.400 0.093 0.000 2.525 152 D HA 0.569 5.209 4.640 -0.000 0.000 0.249 152 D C -2.227 174.109 176.300 0.060 0.000 1.072 152 D CA -1.608 52.433 54.000 0.069 0.000 1.067 152 D CB 0.856 41.698 40.800 0.069 0.000 1.282 152 D HN 0.215 nan 8.370 nan 0.000 0.587 153 P HA -0.016 nan 4.420 nan 0.000 0.221 153 P C 0.944 178.291 177.300 0.079 0.000 1.145 153 P CA 2.091 65.240 63.100 0.082 0.000 0.795 153 P CB -0.025 31.724 31.700 0.081 0.000 0.775 154 A N -0.988 121.865 122.820 0.055 0.000 2.169 154 A HA 0.376 4.696 4.320 -0.000 0.000 0.212 154 A C 1.701 179.313 177.584 0.048 0.000 1.153 154 A CA 0.936 52.997 52.037 0.041 0.000 0.756 154 A CB -1.210 17.803 19.000 0.021 0.000 0.813 154 A HN 0.247 nan 8.150 nan 0.000 0.471 155 G N -1.281 107.549 108.800 0.049 0.000 2.137 155 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.237 155 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.237 155 G C 0.260 175.183 174.900 0.038 0.000 1.002 155 G CA 0.351 45.473 45.100 0.037 0.000 0.702 155 G HN 0.559 nan 8.290 nan 0.000 0.515 156 T N 1.323 115.907 114.554 0.050 0.000 2.832 156 T HA 0.565 4.915 4.350 -0.000 0.000 0.296 156 T C 0.746 175.495 174.700 0.083 0.000 0.968 156 T CA 0.479 62.612 62.100 0.055 0.000 1.107 156 T CB 1.012 69.912 68.868 0.055 0.000 0.916 156 T HN 0.923 nan 8.240 nan 0.000 0.517 157 I N 1.139 121.758 120.570 0.082 0.000 2.569 157 I HA 0.725 4.895 4.170 -0.000 0.000 0.296 157 I C -0.819 175.375 176.117 0.129 0.000 1.028 157 I CA -1.016 60.364 61.300 0.132 0.000 1.082 157 I CB 2.160 40.216 38.000 0.094 0.000 1.264 157 I HN 0.392 nan 8.210 nan 0.000 0.429 158 N N 3.045 121.846 118.700 0.168 0.000 2.262 158 N HA 0.360 5.100 4.740 -0.000 0.000 0.295 158 N C -1.593 173.874 175.510 -0.071 0.000 1.161 158 N CA -0.823 52.194 53.050 -0.055 0.000 0.767 158 N CB 2.347 40.628 38.487 -0.343 0.000 1.499 158 N HN 0.707 nan 8.380 nan 0.000 0.476 159 E N 1.186 121.211 120.200 -0.292 0.000 2.216 159 E HA 0.327 4.677 4.350 -0.000 0.000 0.279 159 E C -1.328 174.921 176.600 -0.584 0.000 0.997 159 E CA -0.344 55.734 56.400 -0.537 0.000 0.817 159 E CB 0.784 30.120 29.700 -0.606 0.000 1.096 159 E HN 0.463 nan 8.360 nan 0.000 0.393 160 Y N 1.823 121.969 120.300 -0.256 0.000 2.570 160 Y HA 0.260 4.810 4.550 -0.000 0.000 0.345 160 Y C 0.822 176.609 175.900 -0.188 0.000 1.014 160 Y CA -0.758 57.237 58.100 -0.174 0.000 1.063 160 Y CB 1.800 40.179 38.460 -0.136 0.000 1.272 160 Y HN 0.450 nan 8.280 nan 0.000 0.477 161 K N 1.129 121.526 120.400 -0.006 0.000 2.211 161 K HA 0.453 4.773 4.320 -0.000 0.000 0.201 161 K C -0.160 176.259 176.600 -0.301 0.000 1.052 161 K CA 0.800 57.016 56.287 -0.119 0.000 0.973 161 K CB 0.503 32.937 32.500 -0.111 0.000 0.766 161 K HN 0.543 nan 8.250 nan 0.000 0.466 162 A N 0.149 122.778 122.820 -0.318 0.000 2.594 162 A HA 0.661 4.981 4.320 -0.000 0.000 0.295 162 A C -0.878 176.541 177.584 -0.274 0.000 1.071 162 A CA -0.510 51.317 52.037 -0.349 0.000 0.685 162 A CB 2.073 20.692 19.000 -0.635 0.000 1.285 162 A HN -0.055 nan 8.150 nan 0.000 0.405 163 T N -1.060 113.320 114.554 -0.290 0.000 2.686 163 T HA 0.772 5.122 4.350 -0.000 0.000 0.308 163 T C -1.574 172.960 174.700 -0.276 0.000 1.667 163 T CA 0.460 62.297 62.100 -0.438 0.000 0.987 163 T CB 1.298 69.554 68.868 -1.020 0.000 1.652 163 T HN 2.484 nan 8.240 nan 0.000 0.496 164 A N 1.280 123.941 122.820 -0.264 0.000 2.606 164 A HA 0.920 5.240 4.320 -0.000 0.000 0.293 164 A C -1.349 176.151 177.584 -0.139 0.000 1.082 164 A CA -0.693 51.248 52.037 -0.161 0.000 0.685 164 A CB 1.105 20.039 19.000 -0.111 0.000 1.284 164 A HN 1.316 nan 8.150 nan 0.000 0.408 165 I N -2.163 118.348 120.570 -0.099 0.000 3.174 165 I HA 0.948 5.118 4.170 -0.000 0.000 0.313 165 I C 0.312 176.396 176.117 -0.055 0.000 1.155 165 I CA -0.396 60.861 61.300 -0.071 0.000 0.977 165 I CB 2.000 39.961 38.000 -0.066 0.000 1.248 165 I HN 2.187 nan 8.210 nan 0.000 0.453 166 G N 2.279 111.056 108.800 -0.038 0.000 2.610 166 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.304 166 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.304 166 G C 0.372 175.257 174.900 -0.024 0.000 1.309 166 G CA 0.115 45.196 45.100 -0.031 0.000 0.906 166 G HN 1.569 nan 8.290 nan 0.000 0.521 167 S N -1.142 114.546 115.700 -0.021 0.000 2.383 167 S HA 0.085 4.555 4.470 -0.000 0.000 0.229 167 S C 2.238 176.828 174.600 -0.016 0.000 1.030 167 S CA 2.110 60.301 58.200 -0.015 0.000 1.002 167 S CB -0.328 62.864 63.200 -0.014 0.000 0.829 167 S HN 2.223 nan 8.310 nan 0.000 0.467 168 G N 1.014 109.800 108.800 -0.024 0.000 3.314 168 G HA2 0.176 4.136 3.960 -0.000 0.000 0.238 168 G HA3 0.176 4.136 3.960 -0.000 0.000 0.238 168 G C 0.946 175.830 174.900 -0.026 0.000 1.184 168 G CA -0.026 45.060 45.100 -0.025 0.000 0.806 168 G HN 0.553 nan 8.290 nan 0.000 0.536 169 K N 0.788 121.172 120.400 -0.026 0.000 2.020 169 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 169 K C 1.661 178.250 176.600 -0.018 0.000 1.050 169 K CA 1.832 58.099 56.287 -0.033 0.000 0.929 169 K CB -0.095 32.385 32.500 -0.033 0.000 0.714 169 K HN 0.108 nan 8.250 nan 0.000 0.443 170 D N 0.267 120.665 120.400 -0.004 0.000 2.123 170 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 170 D C 1.842 178.157 176.300 0.023 0.000 0.992 170 D CA 1.430 55.436 54.000 0.010 0.000 0.833 170 D CB -0.307 40.502 40.800 0.014 0.000 0.954 170 D HN 0.418 nan 8.370 nan 0.000 0.455 171 A N 0.748 123.581 122.820 0.022 0.000 1.845 171 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 171 A C 2.602 180.225 177.584 0.065 0.000 1.195 171 A CA 1.654 53.716 52.037 0.042 0.000 0.616 171 A CB -0.951 18.062 19.000 0.022 0.000 0.832 171 A HN 0.134 nan 8.150 nan 0.000 0.443 172 V N -0.254 119.673 119.914 0.022 0.000 2.282 172 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 172 V C 2.589 178.725 176.094 0.069 0.000 1.057 172 V CA 2.154 64.466 62.300 0.020 0.000 1.032 172 V CB -0.980 30.817 31.823 -0.042 0.000 0.645 172 V HN 0.372 nan 8.190 nan 0.000 0.447 173 V N -0.365 119.565 119.914 0.027 0.000 2.287 173 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 173 V C 2.601 178.734 176.094 0.065 0.000 1.053 173 V CA 2.406 64.718 62.300 0.021 0.000 1.027 173 V CB -0.752 31.064 31.823 -0.012 0.000 0.646 173 V HN 0.547 nan 8.190 nan 0.000 0.447 174 S N -0.562 115.184 115.700 0.076 0.000 2.359 174 S HA -0.232 4.238 4.470 -0.000 0.000 0.224 174 S C 1.781 176.448 174.600 0.111 0.000 1.035 174 S CA 2.101 60.348 58.200 0.079 0.000 1.018 174 S CB -0.492 62.752 63.200 0.074 0.000 0.876 174 S HN 0.601 nan 8.310 nan 0.000 0.448 175 F N 1.974 121.931 119.950 0.012 0.000 2.095 175 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 175 F C 1.809 177.633 175.800 0.040 0.000 1.104 175 F CA 1.410 59.423 58.000 0.022 0.000 1.232 175 F CB -0.317 38.693 39.000 0.016 0.000 0.987 175 F HN 0.110 nan 8.300 nan 0.000 0.475 176 L N -0.295 121.111 121.223 0.306 0.000 2.156 176 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 176 L C 2.329 179.278 176.870 0.131 0.000 1.095 176 L CA 1.206 56.191 54.840 0.243 0.000 0.770 176 L CB -0.693 41.473 42.059 0.179 0.000 0.914 176 L HN 0.111 nan 8.230 nan 0.000 0.439 177 E N 0.904 121.149 120.200 0.076 0.000 2.049 177 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 177 E C 2.276 178.886 176.600 0.016 0.000 1.007 177 E CA 1.859 58.288 56.400 0.049 0.000 0.809 177 E CB -0.018 29.703 29.700 0.034 0.000 0.749 177 E HN 0.419 nan 8.360 nan 0.000 0.450 178 R N -0.255 120.215 120.500 -0.051 0.000 2.075 178 R HA -0.005 4.335 4.340 -0.000 0.000 0.226 178 R C 1.509 177.724 176.300 -0.142 0.000 1.114 178 R CA 1.378 57.413 56.100 -0.108 0.000 0.972 178 R CB -0.201 30.009 30.300 -0.151 0.000 0.869 178 R HN 0.053 nan 8.270 nan 0.000 0.437 179 E N 0.327 120.394 120.200 -0.222 0.000 2.415 179 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 179 E C -0.285 176.319 176.600 0.007 0.000 1.007 179 E CA -0.086 56.197 56.400 -0.195 0.000 0.890 179 E CB -0.105 29.313 29.700 -0.469 0.000 0.891 179 E HN 0.294 nan 8.360 nan 0.000 0.496 180 Y N 2.349 122.646 120.300 -0.006 0.000 2.511 180 Y HA 0.093 4.643 4.550 -0.000 0.000 0.332 180 Y C -0.121 175.795 175.900 0.027 0.000 1.177 180 Y CA 0.365 58.490 58.100 0.041 0.000 1.422 180 Y CB 0.423 38.918 38.460 0.059 0.000 1.271 180 Y HN -0.317 nan 8.280 nan 0.000 0.550 181 K N 4.960 124.868 120.400 -0.820 0.000 2.422 181 K HA 0.273 4.593 4.320 -0.000 0.000 0.251 181 K C -1.014 175.019 176.600 -0.944 0.000 0.933 181 K CA -0.904 55.013 56.287 -0.616 0.000 0.798 181 K CB 1.854 34.184 32.500 -0.282 0.000 1.238 181 K HN 0.661 nan 8.250 nan 0.000 0.428 182 E N 1.730 121.655 120.200 -0.458 0.000 2.374 182 E HA 0.073 4.423 4.350 -0.000 0.000 0.260 182 E C -0.257 176.289 176.600 -0.088 0.000 1.101 182 E CA -0.316 55.981 56.400 -0.172 0.000 0.907 182 E CB 0.349 30.059 29.700 0.017 0.000 1.014 182 E HN 0.531 nan 8.360 nan 0.000 0.427 183 N N 0.240 118.946 118.700 0.011 0.000 2.776 183 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 183 N C -0.642 174.903 175.510 0.057 0.000 1.112 183 N CA 0.627 53.705 53.050 0.045 0.000 0.733 183 N CB -1.627 36.873 38.487 0.022 0.000 1.097 183 N HN 0.424 nan 8.380 nan 0.000 0.558 184 L N 1.459 122.718 121.223 0.060 0.000 2.456 184 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 184 L C -1.299 175.645 176.870 0.123 0.000 1.189 184 L CA -1.169 53.703 54.840 0.054 0.000 0.846 184 L CB 0.061 42.127 42.059 0.012 0.000 1.111 184 L HN -0.114 nan 8.230 nan 0.000 0.475 185 P HA -0.094 nan 4.420 nan 0.000 0.267 185 P C 0.348 177.590 177.300 -0.097 0.000 1.201 185 P CA 0.041 63.175 63.100 0.056 0.000 0.775 185 P CB 0.617 32.337 31.700 0.032 0.000 0.854 186 E N 2.009 122.065 120.200 -0.240 0.000 2.097 186 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 186 E C 1.840 178.236 176.600 -0.340 0.000 1.000 186 E CA 1.580 57.558 56.400 -0.703 0.000 0.804 186 E CB -0.076 29.326 29.700 -0.496 0.000 0.740 186 E HN 0.399 nan 8.360 nan 0.000 0.454 187 K N 0.412 120.766 120.400 -0.076 0.000 2.057 187 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 187 K C 1.953 178.608 176.600 0.093 0.000 1.049 187 K CA 1.679 58.032 56.287 0.109 0.000 0.931 187 K CB -0.005 32.579 32.500 0.140 0.000 0.714 187 K HN 0.160 nan 8.250 nan 0.000 0.440 188 E N 0.029 120.240 120.200 0.018 0.000 2.110 188 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 188 E C 1.988 178.583 176.600 -0.010 0.000 0.988 188 E CA 0.952 57.365 56.400 0.022 0.000 0.804 188 E CB -0.097 29.609 29.700 0.010 0.000 0.745 188 E HN 0.440 nan 8.360 nan 0.000 0.458 189 A N 1.044 123.811 122.820 -0.088 0.000 1.858 189 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 189 A C 2.536 180.047 177.584 -0.121 0.000 1.190 189 A CA 1.439 53.425 52.037 -0.085 0.000 0.617 189 A CB -0.851 18.036 19.000 -0.189 0.000 0.827 189 A HN 0.120 nan 8.150 nan 0.000 0.443 190 V N -0.200 119.564 119.914 -0.249 0.000 2.332 190 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 190 V C 2.731 178.679 176.094 -0.243 0.000 1.055 190 V CA 2.536 64.601 62.300 -0.392 0.000 1.038 190 V CB -1.437 29.898 31.823 -0.813 0.000 0.651 190 V HN 0.621 nan 8.190 nan 0.000 0.450 191 T N 0.551 115.089 114.554 -0.027 0.000 2.652 191 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 191 T C 1.918 176.650 174.700 0.053 0.000 1.039 191 T CA 2.070 64.237 62.100 0.112 0.000 1.153 191 T CB -0.424 68.547 68.868 0.172 0.000 0.863 191 T HN 0.333 nan 8.240 nan 0.000 0.428 192 L N 1.465 122.726 121.223 0.063 0.000 2.042 192 L HA 0.029 4.369 4.340 -0.000 0.000 0.210 192 L C 2.513 179.410 176.870 0.044 0.000 1.076 192 L CA 2.265 57.178 54.840 0.121 0.000 0.749 192 L CB -1.314 40.842 42.059 0.161 0.000 0.893 192 L HN 0.297 nan 8.230 nan 0.000 0.432 193 G N 0.053 108.844 108.800 -0.015 0.000 2.446 193 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 193 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 193 G C 1.551 176.367 174.900 -0.140 0.000 1.168 193 G CA 1.017 46.073 45.100 -0.074 0.000 0.771 193 G HN 0.397 nan 8.290 nan 0.000 0.551 194 I N 0.833 121.325 120.570 -0.131 0.000 2.226 194 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 194 I C 2.641 178.662 176.117 -0.160 0.000 1.100 194 I CA 1.211 62.440 61.300 -0.119 0.000 1.374 194 I CB -0.875 37.099 38.000 -0.044 0.000 1.057 194 I HN 0.188 nan 8.210 nan 0.000 0.413 195 K N 0.730 121.026 120.400 -0.174 0.000 2.032 195 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 195 K C 2.191 178.324 176.600 -0.778 0.000 1.048 195 K CA 1.649 57.750 56.287 -0.310 0.000 0.927 195 K CB -0.112 32.318 32.500 -0.118 0.000 0.712 195 K HN 0.297 nan 8.250 nan 0.000 0.441 196 A N 1.360 123.621 122.820 -0.932 0.000 1.902 196 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 196 A C 2.060 179.358 177.584 -0.477 0.000 1.181 196 A CA 1.184 52.608 52.037 -1.022 0.000 0.623 196 A CB -0.535 18.219 19.000 -0.410 0.000 0.818 196 A HN 0.248 nan 8.150 nan 0.000 0.443 197 L N -0.093 120.949 121.223 -0.302 0.000 2.046 197 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 197 L C 2.215 178.984 176.870 -0.169 0.000 1.077 197 L CA 2.209 56.937 54.840 -0.188 0.000 0.747 197 L CB -0.603 41.371 42.059 -0.141 0.000 0.896 197 L HN 0.355 nan 8.230 nan 0.000 0.432 198 K N -0.693 119.594 120.400 -0.187 0.000 2.097 198 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 198 K C 2.173 178.703 176.600 -0.117 0.000 1.049 198 K CA 1.541 57.752 56.287 -0.128 0.000 0.933 198 K CB -0.348 32.089 32.500 -0.105 0.000 0.717 198 K HN 0.578 nan 8.250 nan 0.000 0.442 199 S N 0.830 116.421 115.700 -0.182 0.000 2.440 199 S HA -0.146 4.324 4.470 -0.000 0.000 0.238 199 S C 1.883 176.458 174.600 -0.042 0.000 1.010 199 S CA 1.679 59.826 58.200 -0.088 0.000 0.972 199 S CB -0.342 62.809 63.200 -0.080 0.000 0.774 199 S HN 0.315 nan 8.310 nan 0.000 0.501 200 S N 0.600 116.260 115.700 -0.068 0.000 2.558 200 S HA 0.338 4.808 4.470 -0.000 0.000 0.217 200 S C 0.569 175.151 174.600 -0.030 0.000 0.975 200 S CA -0.602 57.574 58.200 -0.039 0.000 0.912 200 S CB -0.595 62.574 63.200 -0.051 0.000 0.776 200 S HN 0.524 nan 8.310 nan 0.000 0.526 201 L N 2.491 123.694 121.223 -0.033 0.000 2.399 201 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 201 L C 0.954 177.816 176.870 -0.012 0.000 1.114 201 L CA -0.817 54.009 54.840 -0.024 0.000 0.804 201 L CB 0.680 42.722 42.059 -0.028 0.000 1.146 201 L HN 0.430 nan 8.230 nan 0.000 0.451 202 E N 0.989 121.183 120.200 -0.009 0.000 2.869 202 E HA 0.099 4.449 4.350 -0.000 0.000 0.258 202 E C 0.346 176.945 176.600 -0.002 0.000 1.354 202 E CA -0.626 55.772 56.400 -0.003 0.000 1.065 202 E CB 0.443 30.141 29.700 -0.003 0.000 1.215 202 E HN 0.619 nan 8.360 nan 0.000 0.659 203 E N -0.085 120.115 120.200 0.001 0.000 2.813 203 E HA -0.275 4.075 4.350 -0.000 0.000 0.233 203 E C 0.460 177.060 176.600 0.001 0.000 0.922 203 E CA 2.058 58.459 56.400 0.002 0.000 1.351 203 E CB -0.688 29.013 29.700 0.001 0.000 1.349 203 E HN 0.639 nan 8.360 nan 0.000 0.485 204 G N -0.911 107.889 108.800 -0.001 0.000 2.782 204 G HA2 0.399 4.359 3.960 -0.000 0.000 0.280 204 G HA3 0.399 4.359 3.960 -0.000 0.000 0.280 204 G C -0.463 174.434 174.900 -0.004 0.000 1.526 204 G CA -0.428 44.671 45.100 -0.001 0.000 1.083 204 G HN 0.110 nan 8.290 nan 0.000 0.552 205 E N 1.081 121.278 120.200 -0.006 0.000 2.502 205 E HA 0.069 4.419 4.350 -0.000 0.000 0.206 205 E C 0.854 177.449 176.600 -0.009 0.000 0.821 205 E CA 0.027 56.422 56.400 -0.008 0.000 1.354 205 E CB 0.751 30.444 29.700 -0.012 0.000 1.336 205 E HN 0.616 nan 8.360 nan 0.000 0.675 206 E N -0.093 120.101 120.200 -0.009 0.000 4.145 206 E HA -0.271 4.079 4.350 -0.000 0.000 0.296 206 E C -0.265 176.328 176.600 -0.011 0.000 0.666 206 E CA 1.109 57.504 56.400 -0.008 0.000 1.214 206 E CB -0.927 28.771 29.700 -0.003 0.000 1.679 206 E HN 0.227 nan 8.360 nan 0.000 0.406 207 L N -0.276 120.938 121.223 -0.014 0.000 2.456 207 L HA -0.148 4.192 4.340 -0.000 0.000 0.574 207 L C -0.040 176.824 176.870 -0.009 0.000 1.000 207 L CA 0.935 55.764 54.840 -0.017 0.000 1.269 207 L CB 0.073 42.116 42.059 -0.027 0.000 1.865 207 L HN 0.028 nan 8.230 nan 0.000 0.941 208 K N 3.305 123.700 120.400 -0.008 0.000 2.132 208 K HA 0.617 4.937 4.320 -0.000 0.000 0.240 208 K C 0.412 177.011 176.600 -0.001 0.000 1.036 208 K CA 0.193 56.479 56.287 -0.003 0.000 0.888 208 K CB 0.664 33.162 32.500 -0.003 0.000 1.071 208 K HN 0.832 nan 8.250 nan 0.000 0.502 209 A N 3.438 126.262 122.820 0.007 0.000 2.505 209 A HA 0.148 4.468 4.320 -0.000 0.000 0.271 209 A C -1.796 175.787 177.584 -0.001 0.000 1.112 209 A CA -0.766 51.279 52.037 0.013 0.000 0.781 209 A CB -0.713 18.304 19.000 0.028 0.000 1.059 209 A HN 0.340 nan 8.150 nan 0.000 0.508 210 P HA 0.327 nan 4.420 nan 0.000 0.282 210 P C -0.511 176.766 177.300 -0.037 0.000 1.287 210 P CA -0.565 62.514 63.100 -0.036 0.000 0.792 210 P CB 0.761 32.426 31.700 -0.058 0.000 1.163 211 E N -0.189 119.980 120.200 -0.051 0.000 2.301 211 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 211 E C -0.361 176.177 176.600 -0.104 0.000 1.030 211 E CA -0.426 55.943 56.400 -0.052 0.000 0.852 211 E CB 0.730 30.402 29.700 -0.046 0.000 1.060 211 E HN 0.331 nan 8.360 nan 0.000 0.401 212 I N 1.432 121.925 120.570 -0.129 0.000 2.582 212 I HA 0.590 4.760 4.170 -0.000 0.000 0.292 212 I C -0.774 175.225 176.117 -0.198 0.000 1.066 212 I CA -0.817 60.309 61.300 -0.291 0.000 1.053 212 I CB 2.041 39.651 38.000 -0.650 0.000 1.241 212 I HN 0.502 nan 8.210 nan 0.000 0.421 213 A N 3.940 126.688 122.820 -0.120 0.000 2.486 213 A HA 0.909 5.229 4.320 -0.000 0.000 0.300 213 A C -0.692 177.042 177.584 0.249 0.000 1.048 213 A CA -0.460 51.663 52.037 0.143 0.000 0.696 213 A CB 2.008 21.102 19.000 0.157 0.000 1.278 213 A HN 0.749 nan 8.150 nan 0.000 0.405 214 S N 0.978 116.898 115.700 0.366 0.000 2.651 214 S HA 0.879 5.349 4.470 -0.000 0.000 0.279 214 S C -0.923 173.651 174.600 -0.043 0.000 1.148 214 S CA -0.542 57.812 58.200 0.256 0.000 0.837 214 S CB 1.473 64.871 63.200 0.330 0.000 1.138 214 S HN 1.778 nan 8.310 nan 0.000 0.478 215 I N 1.327 121.793 120.570 -0.174 0.000 2.787 215 I HA 0.616 4.786 4.170 -0.000 0.000 0.294 215 I C -1.302 174.736 176.117 -0.131 0.000 1.365 215 I CA -0.251 60.852 61.300 -0.329 0.000 1.029 215 I CB 2.205 39.656 38.000 -0.914 0.000 1.313 215 I HN 1.128 nan 8.210 nan 0.000 0.431 216 T N 3.055 117.579 114.554 -0.050 0.000 2.916 216 T HA 0.592 4.942 4.350 -0.000 0.000 0.292 216 T C -0.383 174.302 174.700 -0.025 0.000 1.055 216 T CA -0.760 61.316 62.100 -0.039 0.000 1.009 216 T CB 1.722 70.631 68.868 0.067 0.000 1.118 216 T HN 0.313 nan 8.240 nan 0.000 0.497 217 V N 2.029 121.920 119.914 -0.039 0.000 2.617 217 V HA 0.378 4.498 4.120 -0.000 0.000 0.304 217 V C 1.858 177.958 176.094 0.011 0.000 1.040 217 V CA 1.641 63.929 62.300 -0.021 0.000 1.149 217 V CB -0.100 31.702 31.823 -0.035 0.000 0.914 217 V HN 1.536 nan 8.190 nan 0.000 0.487 218 G N 3.693 112.506 108.800 0.023 0.000 2.225 218 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 218 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 218 G C 0.196 175.152 174.900 0.093 0.000 0.988 218 G CA 0.215 45.341 45.100 0.043 0.000 0.625 218 G HN 0.634 nan 8.290 nan 0.000 0.527 219 N N -0.096 118.670 118.700 0.109 0.000 2.457 219 N HA 0.553 5.293 4.740 -0.000 0.000 0.290 219 N C -0.176 175.430 175.510 0.159 0.000 1.232 219 N CA -0.545 52.574 53.050 0.115 0.000 0.852 219 N CB 1.277 39.800 38.487 0.059 0.000 1.313 219 N HN 0.279 nan 8.380 nan 0.000 0.522 220 K N 0.057 120.486 120.400 0.049 0.000 2.132 220 K HA 0.310 4.630 4.320 -0.000 0.000 0.241 220 K C -0.521 176.052 176.600 -0.045 0.000 1.000 220 K CA -0.533 55.688 56.287 -0.111 0.000 0.911 220 K CB 0.731 33.114 32.500 -0.194 0.000 1.093 220 K HN 0.377 nan 8.250 nan 0.000 0.460 221 Y N 1.743 122.000 120.300 -0.073 0.000 2.702 221 Y HA -0.097 4.453 4.550 -0.000 0.000 0.336 221 Y C 0.679 176.596 175.900 0.029 0.000 1.235 221 Y CA 0.538 58.643 58.100 0.008 0.000 1.492 221 Y CB 0.510 38.969 38.460 -0.002 0.000 1.308 221 Y HN 0.421 nan 8.280 nan 0.000 0.589 222 R N 4.150 124.812 120.500 0.271 0.000 2.534 222 R HA 0.532 4.872 4.340 -0.000 0.000 0.301 222 R C -1.846 174.642 176.300 0.313 0.000 0.961 222 R CA -0.862 55.374 56.100 0.227 0.000 0.871 222 R CB 1.138 31.516 30.300 0.131 0.000 1.170 222 R HN 0.408 nan 8.270 nan 0.000 0.446 223 I N 4.232 124.935 120.570 0.222 0.000 2.301 223 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 223 I C -0.192 176.076 176.117 0.252 0.000 1.046 223 I CA -1.108 60.321 61.300 0.214 0.000 1.282 223 I CB -0.334 37.730 38.000 0.107 0.000 1.409 223 I HN 0.568 nan 8.210 nan 0.000 0.484 224 Y N 5.408 125.736 120.300 0.047 0.000 2.810 224 Y HA -0.062 4.488 4.550 0.000 0.000 0.332 224 Y C 1.363 177.284 175.900 0.036 0.000 1.243 224 Y CA -0.057 58.070 58.100 0.044 0.000 1.537 224 Y CB -0.089 38.391 38.460 0.033 0.000 1.265 224 Y HN 0.565 nan 8.280 nan 0.000 0.572 225 D N 2.145 122.633 120.400 0.147 0.000 2.340 225 D HA 0.082 4.722 4.640 -0.000 0.000 0.251 225 D C 0.870 177.232 176.300 0.104 0.000 1.080 225 D CA -0.509 53.550 54.000 0.099 0.000 0.971 225 D CB 1.134 41.967 40.800 0.055 0.000 1.137 225 D HN 0.590 nan 8.370 nan 0.000 0.475 226 Q N 0.463 120.308 119.800 0.074 0.000 2.188 226 Q HA -0.361 3.979 4.340 -0.000 0.000 0.217 226 Q C 1.874 177.919 176.000 0.075 0.000 1.018 226 Q CA 3.421 59.263 55.803 0.065 0.000 0.910 226 Q CB -0.220 28.542 28.738 0.041 0.000 0.979 226 Q HN 0.740 nan 8.270 nan 0.000 0.413 227 E N -0.689 119.548 120.200 0.062 0.000 2.158 227 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 227 E C 1.808 178.451 176.600 0.072 0.000 0.982 227 E CA 1.352 57.783 56.400 0.052 0.000 0.823 227 E CB -0.348 29.368 29.700 0.027 0.000 0.766 227 E HN 0.580 nan 8.360 nan 0.000 0.468 228 E N 0.676 120.936 120.200 0.101 0.000 2.072 228 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 228 E C 1.944 178.750 176.600 0.343 0.000 0.985 228 E CA 1.426 57.921 56.400 0.157 0.000 0.801 228 E CB 0.083 29.839 29.700 0.094 0.000 0.750 228 E HN 0.217 nan 8.360 nan 0.000 0.452 229 V N 0.913 121.027 119.914 0.334 0.000 2.343 229 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 229 V C 2.234 178.504 176.094 0.293 0.000 1.051 229 V CA 1.869 64.377 62.300 0.347 0.000 1.036 229 V CB -0.443 31.485 31.823 0.175 0.000 0.654 229 V HN 0.161 nan 8.190 nan 0.000 0.451 230 K N 0.540 121.038 120.400 0.164 0.000 2.113 230 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 230 K C 2.195 178.830 176.600 0.058 0.000 1.047 230 K CA 1.256 57.598 56.287 0.092 0.000 0.928 230 K CB -0.346 32.184 32.500 0.051 0.000 0.716 230 K HN 0.225 nan 8.250 nan 0.000 0.446 231 K N -0.258 120.150 120.400 0.015 0.000 2.360 231 K HA -0.128 4.192 4.320 -0.000 0.000 0.201 231 K C 0.951 177.369 176.600 -0.304 0.000 1.046 231 K CA 1.270 57.456 56.287 -0.167 0.000 0.940 231 K CB -0.009 32.335 32.500 -0.261 0.000 0.748 231 K HN 0.172 nan 8.250 nan 0.000 0.465 232 F N 0.132 120.098 119.950 0.027 0.000 2.749 232 F HA 0.206 4.733 4.527 -0.000 0.000 0.300 232 F C 1.075 176.874 175.800 -0.001 0.000 1.103 232 F CA -0.323 57.685 58.000 0.014 0.000 1.342 232 F CB 0.262 39.271 39.000 0.014 0.000 1.098 232 F HN -0.189 nan 8.300 nan 0.000 0.586 233 L N 0.000 121.303 121.223 0.134 0.000 2.949 233 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 233 L CA 0.000 54.885 54.840 0.075 0.000 0.813 233 L CB 0.000 42.095 42.059 0.060 0.000 0.961 233 L HN 0.000 nan 8.230 nan 0.000 0.502