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 2puz_1_B DATA FIRST_RESID 17 DATA SEQUENCE ATALWRNAQL ATLNPAMDGI GAVENAVIAV RNGRIAFAGP ESDLPDDLST DATA SEQUENCE ADETTDCGGR WITPALIDCH THLVFGGNRA MEFEMRLNGA TYEEIAKAGG DATA SEQUENCE GIVSSVRDTR ALSDEVLVAQ ALPRLDTLLS EGVSTIEIKS GYGLDIETEL DATA SEQUENCE KMLRVARRLE TLRPVRIVTS YLAAHATPAD YKGRNADYIT DVVLPGLEKA DATA SEQUENCE HAEGLADAVD GFCEGIAFSV KEIDRVFAAA QQRGLPVKLH AEQLSNLGGA DATA SEQUENCE ELAASYNALS ADHLEYLDET GAKALAKAGT VAVLLPGAFY ALREKQLPPV DATA SEQUENCE QALRDAGAEI ALATDCNPGT SPLTSLLLTM NMGATLFRMT VEECLTATTR DATA SEQUENCE NAAKALGLLA ETGTLEAGKS ADFAIWDIER PAELVYRIGF NPLHARIFKG DATA SEQUENCE QKVS 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.609 177.584 0.041 0.000 1.274 17 A CA 0.000 52.052 52.037 0.025 0.000 0.836 17 A CB 0.000 19.017 19.000 0.028 0.000 0.831 18 T N -0.446 114.129 114.554 0.036 0.000 2.907 18 T HA 1.012 5.361 4.350 -0.002 0.000 0.292 18 T C -0.258 174.467 174.700 0.041 0.000 1.043 18 T CA -0.210 61.922 62.100 0.052 0.000 1.003 18 T CB 1.899 70.788 68.868 0.035 0.000 1.084 18 T HN 2.363 nan 8.240 nan 0.000 0.483 19 A N 1.992 124.860 122.820 0.080 0.000 2.589 19 A HA 0.740 5.059 4.320 -0.002 0.000 0.296 19 A C -1.609 176.013 177.584 0.064 0.000 1.062 19 A CA -0.956 51.077 52.037 -0.007 0.000 0.686 19 A CB 1.312 20.280 19.000 -0.054 0.000 1.282 19 A HN 0.911 nan 8.150 nan 0.000 0.404 20 L N 1.338 122.502 121.223 -0.100 0.000 2.365 20 L HA 0.550 4.889 4.340 -0.002 0.000 0.273 20 L C -1.040 175.777 176.870 -0.090 0.000 1.000 20 L CA -0.385 54.473 54.840 0.031 0.000 0.819 20 L CB 1.872 43.933 42.059 0.003 0.000 1.284 20 L HN 0.740 nan 8.230 nan 0.000 0.418 21 W N 5.179 126.510 121.300 0.052 0.000 2.413 21 W HA 0.394 5.052 4.660 -0.003 0.000 0.308 21 W C -0.154 176.364 176.519 -0.002 0.000 0.997 21 W CA -0.580 56.788 57.345 0.039 0.000 1.447 21 W CB 1.697 31.178 29.460 0.036 0.000 1.263 21 W HN 0.595 nan 8.180 nan 0.000 0.416 22 R N 1.072 121.645 120.500 0.122 0.000 2.810 22 R HA 0.481 4.820 4.340 -0.002 0.000 0.245 22 R C 0.439 176.768 176.300 0.048 0.000 1.168 22 R CA -0.928 55.216 56.100 0.073 0.000 1.096 22 R CB 0.353 30.674 30.300 0.034 0.000 1.259 22 R HN 0.254 nan 8.270 nan 0.000 0.518 23 N N -1.143 117.567 118.700 0.016 0.000 2.727 23 N HA -0.206 4.532 4.740 -0.002 0.000 0.251 23 N C -1.890 173.604 175.510 -0.026 0.000 1.040 23 N CA 0.925 53.968 53.050 -0.010 0.000 0.712 23 N CB -0.941 37.543 38.487 -0.005 0.000 0.912 23 N HN 0.848 nan 8.380 nan 0.000 0.545 24 A N 0.719 123.507 122.820 -0.053 0.000 2.479 24 A HA 0.759 5.078 4.320 -0.002 0.000 0.296 24 A C -0.722 176.727 177.584 -0.225 0.000 1.121 24 A CA -0.679 51.295 52.037 -0.104 0.000 0.743 24 A CB 1.306 20.277 19.000 -0.048 0.000 1.323 24 A HN 0.312 nan 8.150 nan 0.000 0.415 25 Q N 0.731 120.293 119.800 -0.397 0.000 2.325 25 Q HA 0.573 4.912 4.340 -0.002 0.000 0.262 25 Q C -1.347 174.339 176.000 -0.523 0.000 0.968 25 Q CA -0.238 55.127 55.803 -0.731 0.000 0.877 25 Q CB 1.892 29.663 28.738 -1.612 0.000 1.253 25 Q HN 0.609 nan 8.270 nan 0.000 0.448 26 L N 1.329 122.377 121.223 -0.292 0.000 2.317 26 L HA 0.693 5.031 4.340 -0.002 0.000 0.281 26 L C -0.135 176.866 176.870 0.218 0.000 1.024 26 L CA -0.911 53.915 54.840 -0.023 0.000 0.810 26 L CB 1.517 43.533 42.059 -0.072 0.000 1.240 26 L HN 0.616 nan 8.230 nan 0.000 0.427 27 A N 0.815 123.841 122.820 0.343 0.000 2.654 27 A HA 0.371 4.690 4.320 -0.002 0.000 0.345 27 A C 0.982 178.655 177.584 0.148 0.000 1.368 27 A CA -0.268 51.956 52.037 0.311 0.000 0.895 27 A CB 0.135 19.300 19.000 0.275 0.000 1.143 27 A HN 0.868 nan 8.150 nan 0.000 0.490 28 T N -0.248 114.357 114.554 0.084 0.000 2.915 28 T HA -0.058 4.291 4.350 -0.002 0.000 0.269 28 T C 0.973 175.692 174.700 0.032 0.000 1.071 28 T CA 1.274 63.391 62.100 0.028 0.000 1.132 28 T CB -0.658 68.199 68.868 -0.017 0.000 0.878 28 T HN 1.015 nan 8.240 nan 0.000 0.479 29 L N 0.547 121.793 121.223 0.038 0.000 4.179 29 L HA -0.151 4.187 4.340 -0.002 0.000 0.418 29 L C 0.317 177.196 176.870 0.014 0.000 1.168 29 L CA 0.496 55.352 54.840 0.027 0.000 0.972 29 L CB -2.383 39.696 42.059 0.033 0.000 2.005 29 L HN 0.492 nan 8.230 nan 0.000 0.935 30 N N 1.492 120.195 118.700 0.006 0.000 2.434 30 N HA 0.061 4.800 4.740 -0.002 0.000 0.268 30 N C -0.917 174.593 175.510 0.000 0.000 1.256 30 N CA -1.035 52.013 53.050 -0.004 0.000 0.914 30 N CB 0.891 39.367 38.487 -0.017 0.000 1.088 30 N HN 0.105 nan 8.380 nan 0.000 0.478 31 P HA -0.120 nan 4.420 nan 0.000 0.223 31 P C 0.510 177.811 177.300 0.000 0.000 1.144 31 P CA 0.847 63.948 63.100 0.001 0.000 0.783 31 P CB 0.180 31.881 31.700 0.002 0.000 0.771 32 A N -1.315 121.504 122.820 -0.002 0.000 2.169 32 A HA 0.141 4.460 4.320 -0.002 0.000 0.212 32 A C 1.392 178.976 177.584 -0.001 0.000 1.153 32 A CA 0.345 52.381 52.037 -0.002 0.000 0.756 32 A CB -0.621 18.377 19.000 -0.004 0.000 0.813 32 A HN 0.185 nan 8.150 nan 0.000 0.471 33 M N 0.351 119.950 119.600 -0.000 0.000 2.598 33 M HA 0.296 4.775 4.480 -0.002 0.000 0.317 33 M C -0.819 175.484 176.300 0.005 0.000 1.201 33 M CA -0.854 54.447 55.300 0.003 0.000 0.971 33 M CB 1.016 33.618 32.600 0.003 0.000 1.657 33 M HN 0.076 nan 8.290 nan 0.000 0.470 34 D N 0.855 121.259 120.400 0.007 0.000 2.360 34 D HA 0.319 4.957 4.640 -0.002 0.000 0.242 34 D C 0.867 177.172 176.300 0.007 0.000 1.184 34 D CA 0.856 54.859 54.000 0.006 0.000 0.930 34 D CB 0.618 41.422 40.800 0.006 0.000 1.161 34 D HN 0.808 nan 8.370 nan 0.000 0.447 35 G N 0.963 109.764 108.800 0.002 0.000 2.652 35 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.318 35 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.318 35 G C 0.933 175.833 174.900 -0.000 0.000 1.295 35 G CA 0.696 45.794 45.100 -0.002 0.000 0.999 35 G HN 0.712 nan 8.290 nan 0.000 0.548 36 I N -0.524 120.047 120.570 0.002 0.000 3.855 36 I HA 0.513 4.682 4.170 -0.002 0.000 0.327 36 I C 1.433 177.574 176.117 0.039 0.000 1.359 36 I CA 0.658 61.963 61.300 0.008 0.000 1.142 36 I CB -0.508 37.481 38.000 -0.018 0.000 1.041 36 I HN 2.003 nan 8.210 nan 0.000 0.403 37 G N 2.172 110.994 108.800 0.037 0.000 2.338 37 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.296 37 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.296 37 G C 0.361 175.305 174.900 0.073 0.000 1.040 37 G CA 0.188 45.312 45.100 0.040 0.000 1.004 37 G HN 0.964 nan 8.290 nan 0.000 0.509 38 A N -0.707 122.183 122.820 0.116 0.000 2.440 38 A HA 0.668 4.986 4.320 -0.002 0.000 0.251 38 A C 0.399 178.039 177.584 0.092 0.000 1.089 38 A CA 0.309 52.466 52.037 0.200 0.000 0.779 38 A CB 1.116 20.311 19.000 0.325 0.000 1.022 38 A HN 1.345 nan 8.150 nan 0.000 0.492 39 V N 3.165 123.098 119.914 0.032 0.000 2.525 39 V HA 0.305 4.424 4.120 -0.002 0.000 0.299 39 V C 0.045 176.071 176.094 -0.113 0.000 1.034 39 V CA -0.579 61.699 62.300 -0.036 0.000 0.863 39 V CB 1.377 33.166 31.823 -0.057 0.000 0.999 39 V HN 1.072 nan 8.190 nan 0.000 0.423 40 E N 3.754 123.898 120.200 -0.094 0.000 2.318 40 E HA 0.302 4.651 4.350 -0.002 0.000 0.265 40 E C 0.049 176.586 176.600 -0.105 0.000 1.069 40 E CA -0.448 55.869 56.400 -0.138 0.000 0.893 40 E CB 0.502 30.154 29.700 -0.080 0.000 1.076 40 E HN 0.711 nan 8.360 nan 0.000 0.414 41 N N 0.432 119.059 118.700 -0.121 0.000 2.669 41 N HA -0.234 4.505 4.740 -0.002 0.000 0.266 41 N C -1.230 174.253 175.510 -0.046 0.000 1.024 41 N CA 0.986 53.992 53.050 -0.074 0.000 0.766 41 N CB -1.150 37.311 38.487 -0.042 0.000 0.898 41 N HN 0.473 nan 8.380 nan 0.000 0.548 42 A N -0.626 122.155 122.820 -0.065 0.000 2.347 42 A HA 0.899 5.218 4.320 -0.002 0.000 0.301 42 A C -0.117 177.473 177.584 0.010 0.000 1.163 42 A CA -0.433 51.589 52.037 -0.025 0.000 0.860 42 A CB 2.351 21.308 19.000 -0.072 0.000 1.367 42 A HN 0.433 nan 8.150 nan 0.000 0.461 43 V N -0.386 119.564 119.914 0.060 0.000 3.120 43 V HA 0.627 4.746 4.120 -0.002 0.000 0.303 43 V C -1.775 174.385 176.094 0.111 0.000 1.238 43 V CA -0.590 61.774 62.300 0.107 0.000 1.008 43 V CB 1.904 33.822 31.823 0.157 0.000 1.064 43 V HN 0.740 nan 8.190 nan 0.000 0.434 44 I N 5.133 125.770 120.570 0.112 0.000 2.418 44 I HA 0.716 4.885 4.170 -0.002 0.000 0.287 44 I C 0.230 176.498 176.117 0.252 0.000 1.008 44 I CA -0.611 60.731 61.300 0.070 0.000 1.104 44 I CB 1.797 39.664 38.000 -0.222 0.000 1.264 44 I HN 0.800 nan 8.210 nan 0.000 0.438 45 A N 6.826 129.807 122.820 0.269 0.000 2.290 45 A HA 0.791 5.110 4.320 -0.002 0.000 0.310 45 A C -0.586 177.151 177.584 0.255 0.000 1.202 45 A CA -0.415 51.781 52.037 0.264 0.000 0.837 45 A CB 1.042 20.182 19.000 0.232 0.000 1.139 45 A HN 0.458 nan 8.150 nan 0.000 0.509 46 V N 2.283 122.370 119.914 0.288 0.000 2.680 46 V HA 0.794 4.913 4.120 -0.002 0.000 0.309 46 V C -0.169 176.030 176.094 0.176 0.000 1.052 46 V CA -0.704 61.753 62.300 0.261 0.000 0.908 46 V CB 1.875 33.941 31.823 0.405 0.000 1.001 46 V HN 1.021 nan 8.190 nan 0.000 0.431 47 R N 3.414 123.988 120.500 0.124 0.000 2.533 47 R HA 0.465 4.804 4.340 -0.002 0.000 0.288 47 R C -0.210 176.124 176.300 0.056 0.000 1.039 47 R CA -0.377 55.772 56.100 0.082 0.000 0.909 47 R CB 0.607 30.946 30.300 0.065 0.000 1.195 47 R HN 0.665 nan 8.270 nan 0.000 0.438 48 N N 3.281 122.006 118.700 0.043 0.000 2.707 48 N HA -0.216 4.523 4.740 -0.002 0.000 0.253 48 N C 0.473 175.985 175.510 0.003 0.000 0.998 48 N CA 1.889 54.951 53.050 0.020 0.000 0.751 48 N CB -1.049 37.446 38.487 0.012 0.000 0.920 48 N HN 1.161 nan 8.380 nan 0.000 0.539 49 G N -1.490 107.316 108.800 0.010 0.000 2.168 49 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.263 49 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.263 49 G C 0.131 175.010 174.900 -0.035 0.000 0.977 49 G CA 0.708 45.786 45.100 -0.037 0.000 0.659 49 G HN 0.516 nan 8.290 nan 0.000 0.533 50 R N -0.491 120.017 120.500 0.012 0.000 2.778 50 R HA 0.590 4.929 4.340 -0.002 0.000 0.277 50 R C 0.325 176.664 176.300 0.065 0.000 0.977 50 R CA -1.059 55.054 56.100 0.021 0.000 0.950 50 R CB 1.218 31.529 30.300 0.018 0.000 1.165 50 R HN 0.219 nan 8.270 nan 0.000 0.474 51 I N 2.067 122.674 120.570 0.061 0.000 2.379 51 I HA 0.027 4.196 4.170 -0.002 0.000 0.290 51 I C 1.250 177.417 176.117 0.083 0.000 1.063 51 I CA 0.201 61.548 61.300 0.079 0.000 1.351 51 I CB 1.357 39.382 38.000 0.043 0.000 1.410 51 I HN 0.722 nan 8.210 nan 0.000 0.505 52 A N 7.055 129.950 122.820 0.125 0.000 2.095 52 A HA 0.193 4.512 4.320 -0.002 0.000 0.212 52 A C 0.307 178.031 177.584 0.234 0.000 1.162 52 A CA 0.626 52.749 52.037 0.143 0.000 0.753 52 A CB 0.329 19.410 19.000 0.135 0.000 0.840 52 A HN 0.624 nan 8.150 nan 0.000 0.468 53 F N -2.241 117.727 119.950 0.029 0.000 2.690 53 F HA 0.526 5.051 4.527 -0.004 0.000 0.311 53 F C -1.368 174.434 175.800 0.003 0.000 1.111 53 F CA -0.379 57.631 58.000 0.016 0.000 1.003 53 F CB 1.083 40.093 39.000 0.017 0.000 1.283 53 F HN 0.114 nan 8.300 nan 0.000 0.442 54 A N 3.731 126.025 122.820 -0.876 0.000 2.611 54 A HA 0.794 5.113 4.320 -0.002 0.000 0.282 54 A C -0.613 176.497 177.584 -0.789 0.000 1.114 54 A CA 0.220 51.903 52.037 -0.589 0.000 0.800 54 A CB 0.559 19.374 19.000 -0.309 0.000 1.325 54 A HN 1.898 nan 8.150 nan 0.000 0.411 55 G N 1.267 109.672 108.800 -0.658 0.000 2.348 55 G HA2 0.634 4.592 3.960 -0.002 0.000 0.296 55 G HA3 0.634 4.592 3.960 -0.002 0.000 0.296 55 G C -3.514 171.396 174.900 0.017 0.000 1.258 55 G CA -0.743 44.149 45.100 -0.347 0.000 0.868 55 G HN 0.331 nan 8.290 nan 0.000 0.488 56 P HA 0.152 nan 4.420 nan 0.000 0.262 56 P C 0.517 177.930 177.300 0.189 0.000 1.182 56 P CA 0.422 63.588 63.100 0.109 0.000 0.761 56 P CB 0.880 32.633 31.700 0.088 0.000 0.795 57 E N 1.901 122.166 120.200 0.109 0.000 2.204 57 E HA -0.174 4.175 4.350 -0.002 0.000 0.195 57 E C 1.441 178.067 176.600 0.043 0.000 0.990 57 E CA 1.365 57.818 56.400 0.087 0.000 0.821 57 E CB -0.034 29.690 29.700 0.040 0.000 0.750 57 E HN 0.504 nan 8.360 nan 0.000 0.477 58 S N -0.107 115.618 115.700 0.041 0.000 2.555 58 S HA -0.069 4.400 4.470 -0.002 0.000 0.230 58 S C 0.886 175.495 174.600 0.015 0.000 0.978 58 S CA 0.704 58.915 58.200 0.017 0.000 0.934 58 S CB 0.239 63.450 63.200 0.017 0.000 0.766 58 S HN 0.145 nan 8.310 nan 0.000 0.533 59 D N 0.494 120.926 120.400 0.053 0.000 2.469 59 D HA 0.252 4.891 4.640 -0.002 0.000 0.213 59 D C -0.032 176.156 176.300 -0.186 0.000 1.135 59 D CA -0.270 53.758 54.000 0.047 0.000 0.834 59 D CB 0.229 41.151 40.800 0.204 0.000 1.009 59 D HN 0.340 nan 8.370 nan 0.000 0.507 60 L N 2.687 123.704 121.223 -0.343 0.000 2.513 60 L HA 0.199 4.538 4.340 -0.002 0.000 0.272 60 L C -2.311 174.251 176.870 -0.513 0.000 1.187 60 L CA -0.851 53.505 54.840 -0.806 0.000 0.895 60 L CB 0.200 42.015 42.059 -0.407 0.000 1.147 60 L HN -0.267 nan 8.230 nan 0.000 0.483 61 P HA 0.078 nan 4.420 nan 0.000 0.269 61 P C 0.049 177.236 177.300 -0.188 0.000 1.215 61 P CA -0.212 62.721 63.100 -0.277 0.000 0.780 61 P CB 0.546 32.111 31.700 -0.227 0.000 0.898 62 D N 1.247 121.576 120.400 -0.118 0.000 2.104 62 D HA -0.184 4.454 4.640 -0.002 0.000 0.194 62 D C 1.279 177.536 176.300 -0.071 0.000 0.994 62 D CA 1.452 55.402 54.000 -0.084 0.000 0.830 62 D CB -0.396 40.369 40.800 -0.058 0.000 0.959 62 D HN 0.586 nan 8.370 nan 0.000 0.452 63 D N 0.151 120.513 120.400 -0.064 0.000 2.384 63 D HA -0.147 4.492 4.640 -0.002 0.000 0.222 63 D C 1.369 177.642 176.300 -0.045 0.000 0.976 63 D CA 0.423 54.397 54.000 -0.044 0.000 0.915 63 D CB 0.031 40.813 40.800 -0.031 0.000 0.896 63 D HN 0.186 nan 8.370 nan 0.000 0.523 64 L N 0.911 122.089 121.223 -0.075 0.000 2.858 64 L HA 0.124 4.463 4.340 -0.002 0.000 0.251 64 L C 2.016 178.844 176.870 -0.070 0.000 1.149 64 L CA 0.315 55.117 54.840 -0.065 0.000 0.955 64 L CB -0.160 41.846 42.059 -0.089 0.000 1.289 64 L HN 0.057 nan 8.230 nan 0.000 0.542 65 S N -1.053 114.600 115.700 -0.079 0.000 2.515 65 S HA -0.013 4.455 4.470 -0.002 0.000 0.231 65 S C 1.029 175.603 174.600 -0.044 0.000 0.987 65 S CA 0.399 58.558 58.200 -0.069 0.000 0.936 65 S CB -0.598 62.559 63.200 -0.071 0.000 0.766 65 S HN 0.521 nan 8.310 nan 0.000 0.528 66 T N -1.479 113.054 114.554 -0.035 0.000 2.907 66 T HA 0.868 5.217 4.350 -0.002 0.000 0.292 66 T C -0.689 173.998 174.700 -0.022 0.000 1.043 66 T CA -0.379 61.703 62.100 -0.029 0.000 1.003 66 T CB 1.946 70.797 68.868 -0.028 0.000 1.084 66 T HN 0.588 nan 8.240 nan 0.000 0.483 67 A N 1.042 123.846 122.820 -0.026 0.000 2.581 67 A HA 0.659 4.977 4.320 -0.002 0.000 0.290 67 A C 0.257 177.821 177.584 -0.033 0.000 1.119 67 A CA -0.705 51.319 52.037 -0.022 0.000 0.670 67 A CB 0.729 19.718 19.000 -0.018 0.000 1.280 67 A HN 0.720 nan 8.150 nan 0.000 0.425 68 D N 0.352 120.735 120.400 -0.029 0.000 2.144 68 D HA -0.014 4.625 4.640 -0.002 0.000 0.199 68 D C 0.170 176.435 176.300 -0.058 0.000 0.984 68 D CA 1.616 55.596 54.000 -0.034 0.000 0.834 68 D CB 0.318 41.104 40.800 -0.023 0.000 0.955 68 D HN 0.631 nan 8.370 nan 0.000 0.465 69 E N -0.965 119.182 120.200 -0.088 0.000 2.367 69 E HA 0.500 4.849 4.350 -0.002 0.000 0.273 69 E C -0.984 175.495 176.600 -0.202 0.000 0.903 69 E CA -0.546 55.770 56.400 -0.141 0.000 0.764 69 E CB 2.522 32.121 29.700 -0.169 0.000 1.252 69 E HN -0.239 nan 8.360 nan 0.000 0.446 70 T N 1.216 115.639 114.554 -0.218 0.000 2.991 70 T HA 0.388 4.737 4.350 -0.002 0.000 0.303 70 T C -0.958 173.573 174.700 -0.281 0.000 1.015 70 T CA -0.617 61.338 62.100 -0.243 0.000 1.007 70 T CB 1.678 70.465 68.868 -0.134 0.000 1.034 70 T HN 0.284 nan 8.240 nan 0.000 0.446 71 T N 2.654 116.964 114.554 -0.406 0.000 2.792 71 T HA 0.350 4.699 4.350 -0.002 0.000 0.280 71 T C -0.648 173.977 174.700 -0.126 0.000 0.990 71 T CA -0.680 61.231 62.100 -0.315 0.000 0.960 71 T CB 1.310 69.850 68.868 -0.546 0.000 0.939 71 T HN 0.504 nan 8.240 nan 0.000 0.439 72 D N 1.848 122.224 120.400 -0.041 0.000 2.339 72 D HA 0.133 4.771 4.640 -0.002 0.000 0.241 72 D C 0.611 176.947 176.300 0.060 0.000 1.183 72 D CA -0.737 53.268 54.000 0.007 0.000 0.859 72 D CB 0.613 41.413 40.800 -0.000 0.000 1.067 72 D HN 0.533 nan 8.370 nan 0.000 0.484 73 C N 2.811 122.166 119.300 0.092 0.000 2.539 73 C HA 0.242 4.701 4.460 -0.002 0.000 0.271 73 C C 1.807 176.825 174.990 0.046 0.000 1.412 73 C CA 0.189 59.280 59.018 0.122 0.000 1.729 73 C CB -1.284 26.551 27.740 0.158 0.000 1.739 73 C HN 0.899 nan 8.230 nan 0.000 0.570 74 G N 0.483 109.295 108.800 0.021 0.000 2.258 74 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.274 74 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.274 74 G C 0.989 175.877 174.900 -0.019 0.000 1.021 74 G CA 0.652 45.750 45.100 -0.003 0.000 0.798 74 G HN 1.532 nan 8.290 nan 0.000 0.507 75 G N -1.797 106.983 108.800 -0.035 0.000 2.162 75 G HA2 -0.306 3.652 3.960 -0.002 0.000 0.260 75 G HA3 -0.306 3.652 3.960 -0.002 0.000 0.260 75 G C 0.606 175.447 174.900 -0.098 0.000 0.976 75 G CA 0.984 46.035 45.100 -0.081 0.000 0.655 75 G HN 0.957 nan 8.290 nan 0.000 0.533 76 R N -1.308 119.174 120.500 -0.030 0.000 2.707 76 R HA 0.342 4.681 4.340 -0.002 0.000 0.270 76 R C 0.048 176.370 176.300 0.036 0.000 1.083 76 R CA -0.201 55.928 56.100 0.049 0.000 1.182 76 R CB 0.408 30.755 30.300 0.078 0.000 1.084 76 R HN 0.254 nan 8.270 nan 0.000 0.528 77 W N 1.639 123.024 121.300 0.142 0.000 2.261 77 W HA 0.334 4.991 4.660 -0.004 0.000 0.323 77 W C 0.044 176.708 176.519 0.242 0.000 1.243 77 W CA -0.026 57.419 57.345 0.167 0.000 1.210 77 W CB 0.618 30.182 29.460 0.173 0.000 1.149 77 W HN 0.269 nan 8.180 nan 0.000 0.562 78 I N 3.389 124.215 120.570 0.426 0.000 2.498 78 I HA 0.389 4.558 4.170 -0.002 0.000 0.290 78 I C 0.161 176.496 176.117 0.362 0.000 1.032 78 I CA -0.782 60.704 61.300 0.310 0.000 1.073 78 I CB 1.828 39.838 38.000 0.017 0.000 1.251 78 I HN 0.362 nan 8.210 nan 0.000 0.426 79 T N 2.722 117.538 114.554 0.437 0.000 2.910 79 T HA 0.647 4.996 4.350 -0.002 0.000 0.287 79 T C -2.909 171.970 174.700 0.298 0.000 1.050 79 T CA -2.481 59.838 62.100 0.365 0.000 1.011 79 T CB 2.076 71.206 68.868 0.436 0.000 1.195 79 T HN 0.114 nan 8.240 nan 0.000 0.540 80 P HA 0.412 nan 4.420 nan 0.000 0.272 80 P C -0.480 176.954 177.300 0.223 0.000 1.230 80 P CA -0.352 62.865 63.100 0.195 0.000 0.788 80 P CB 0.122 31.901 31.700 0.132 0.000 0.949 81 A N 2.573 125.501 122.820 0.180 0.000 2.483 81 A HA 0.165 4.484 4.320 -0.002 0.000 0.238 81 A C 0.264 177.943 177.584 0.158 0.000 1.070 81 A CA -0.053 52.073 52.037 0.147 0.000 0.770 81 A CB -0.687 18.368 19.000 0.092 0.000 1.008 81 A HN 0.487 nan 8.150 nan 0.000 0.497 82 L N 1.022 122.351 121.223 0.176 0.000 2.464 82 L HA 0.372 4.711 4.340 -0.002 0.000 0.264 82 L C -0.149 176.776 176.870 0.093 0.000 1.199 82 L CA 0.141 55.069 54.840 0.148 0.000 0.818 82 L CB 0.332 42.496 42.059 0.177 0.000 1.102 82 L HN 0.546 nan 8.230 nan 0.000 0.473 83 I N 0.906 121.521 120.570 0.074 0.000 2.533 83 I HA 0.217 4.386 4.170 -0.002 0.000 0.290 83 I C -0.992 175.153 176.117 0.046 0.000 1.056 83 I CA -0.465 60.867 61.300 0.054 0.000 1.057 83 I CB 2.344 40.375 38.000 0.052 0.000 1.240 83 I HN 0.446 nan 8.210 nan 0.000 0.423 84 D N 5.289 125.713 120.400 0.040 0.000 2.473 84 D HA 0.220 4.859 4.640 -0.002 0.000 0.226 84 D C 0.728 177.053 176.300 0.043 0.000 1.089 84 D CA -0.502 53.525 54.000 0.045 0.000 0.883 84 D CB 1.204 42.032 40.800 0.046 0.000 1.029 84 D HN 0.706 nan 8.370 nan 0.000 0.517 85 C N 2.587 121.915 119.300 0.047 0.000 2.576 85 C HA 0.303 4.762 4.460 -0.002 0.000 0.267 85 C C 0.797 175.826 174.990 0.065 0.000 1.364 85 C CA -0.561 58.481 59.018 0.040 0.000 1.723 85 C CB -1.869 25.891 27.740 0.032 0.000 1.778 85 C HN 0.657 nan 8.230 nan 0.000 0.572 86 H N 0.574 119.616 119.070 -0.045 0.000 3.275 86 H HA 0.480 5.035 4.556 -0.002 0.000 0.326 86 H C -0.489 174.822 175.328 -0.028 0.000 1.096 86 H CA 0.646 56.649 56.048 -0.076 0.000 1.579 86 H CB 0.785 30.478 29.762 -0.116 0.000 1.834 86 H HN 0.461 nan 8.280 nan 0.000 0.510 87 T N 1.196 115.759 114.554 0.016 0.000 2.864 87 T HA 0.286 4.635 4.350 -0.002 0.000 0.299 87 T C -0.613 174.050 174.700 -0.063 0.000 1.166 87 T CA -0.842 61.332 62.100 0.123 0.000 1.007 87 T CB 1.845 70.788 68.868 0.125 0.000 1.219 87 T HN 0.719 nan 8.240 nan 0.000 0.506 88 H N 1.812 120.990 119.070 0.180 0.000 2.562 88 H HA 0.252 4.807 4.556 -0.000 0.000 0.249 88 H C 0.969 176.543 175.328 0.410 0.000 1.195 88 H CA -0.373 55.809 56.048 0.222 0.000 0.938 88 H CB 0.884 30.803 29.762 0.261 0.000 1.891 88 H HN 0.371 nan 8.280 nan 0.000 0.595 89 L N 0.916 122.351 121.223 0.353 0.000 2.089 89 L HA -0.142 4.196 4.340 -0.002 0.000 0.213 89 L C 0.634 177.619 176.870 0.191 0.000 1.079 89 L CA 1.433 56.441 54.840 0.280 0.000 0.758 89 L CB 0.061 42.192 42.059 0.119 0.000 0.891 89 L HN 0.019 nan 8.230 nan 0.000 0.433 90 V N 1.035 121.081 119.914 0.220 0.000 2.432 90 V HA 0.358 4.477 4.120 -0.002 0.000 0.271 90 V C -0.348 175.961 176.094 0.358 0.000 1.046 90 V CA -0.175 62.199 62.300 0.123 0.000 0.945 90 V CB 0.205 32.090 31.823 0.103 0.000 0.992 90 V HN 0.286 nan 8.190 nan 0.000 0.471 91 F N 2.360 122.385 119.950 0.125 0.000 2.793 91 F HA 0.713 5.239 4.527 -0.003 0.000 0.316 91 F C -0.127 175.675 175.800 0.004 0.000 1.147 91 F CA -0.901 57.146 58.000 0.078 0.000 0.930 91 F CB 0.699 39.680 39.000 -0.032 0.000 1.277 91 F HN 0.615 nan 8.300 nan 0.000 0.443 92 G N 0.557 109.481 108.800 0.207 0.000 2.412 92 G HA2 0.657 4.616 3.960 -0.002 0.000 0.318 92 G HA3 0.657 4.616 3.960 -0.002 0.000 0.318 92 G C 0.230 175.242 174.900 0.187 0.000 1.146 92 G CA -0.224 44.936 45.100 0.100 0.000 0.882 92 G HN 2.062 nan 8.290 nan 0.000 0.501 93 G N 0.868 109.730 108.800 0.103 0.000 2.633 93 G HA2 0.069 4.027 3.960 -0.002 0.000 0.263 93 G HA3 0.069 4.027 3.960 -0.002 0.000 0.263 93 G C -0.018 175.010 174.900 0.213 0.000 1.310 93 G CA 0.563 45.729 45.100 0.109 0.000 0.914 93 G HN 1.976 nan 8.290 nan 0.000 0.569 94 N N -2.492 116.277 118.700 0.115 0.000 2.972 94 N HA 0.713 5.451 4.740 -0.002 0.000 0.262 94 N C 0.001 175.504 175.510 -0.012 0.000 1.478 94 N CA -0.964 52.140 53.050 0.090 0.000 0.841 94 N CB 1.042 39.579 38.487 0.083 0.000 1.512 94 N HN 0.537 nan 8.380 nan 0.000 0.548 95 R N -0.280 120.189 120.500 -0.051 0.000 2.700 95 R HA 0.403 4.741 4.340 -0.002 0.000 0.377 95 R C 0.353 176.657 176.300 0.005 0.000 1.130 95 R CA -0.083 55.991 56.100 -0.044 0.000 1.055 95 R CB 0.201 30.448 30.300 -0.088 0.000 1.387 95 R HN 0.734 nan 8.270 nan 0.000 0.580 96 A N 1.211 124.032 122.820 0.002 0.000 1.933 96 A HA -0.164 4.154 4.320 -0.002 0.000 0.218 96 A C 2.145 179.801 177.584 0.119 0.000 1.175 96 A CA 1.063 53.117 52.037 0.029 0.000 0.628 96 A CB -0.232 18.765 19.000 -0.004 0.000 0.814 96 A HN 0.348 nan 8.150 nan 0.000 0.444 97 M N 0.490 120.133 119.600 0.071 0.000 2.115 97 M HA -0.270 4.208 4.480 -0.002 0.000 0.258 97 M C 2.234 178.581 176.300 0.077 0.000 1.071 97 M CA 2.691 58.030 55.300 0.065 0.000 1.100 97 M CB -0.495 32.124 32.600 0.032 0.000 1.292 97 M HN 0.686 nan 8.290 nan 0.000 0.415 98 E N -0.663 119.578 120.200 0.068 0.000 2.204 98 E HA -0.237 4.111 4.350 -0.002 0.000 0.195 98 E C 1.933 178.581 176.600 0.080 0.000 0.990 98 E CA 1.376 57.808 56.400 0.053 0.000 0.821 98 E CB -1.038 28.682 29.700 0.033 0.000 0.750 98 E HN 0.643 nan 8.360 nan 0.000 0.477 99 F N 2.586 122.522 119.950 -0.023 0.000 2.069 99 F HA -0.214 4.312 4.527 -0.002 0.000 0.298 99 F C 2.395 178.183 175.800 -0.019 0.000 1.113 99 F CA 2.308 60.294 58.000 -0.023 0.000 1.214 99 F CB -0.185 38.804 39.000 -0.018 0.000 0.978 99 F HN 0.036 nan 8.300 nan 0.000 0.474 100 E N -0.057 120.229 120.200 0.142 0.000 2.077 100 E HA -0.240 4.108 4.350 -0.002 0.000 0.193 100 E C 2.274 178.843 176.600 -0.052 0.000 0.989 100 E CA 1.603 58.020 56.400 0.027 0.000 0.800 100 E CB -0.211 29.555 29.700 0.109 0.000 0.746 100 E HN 0.512 nan 8.360 nan 0.000 0.452 101 M N 0.051 119.639 119.600 -0.021 0.000 2.067 101 M HA -0.166 4.312 4.480 -0.002 0.000 0.260 101 M C 2.658 178.919 176.300 -0.064 0.000 1.069 101 M CA 1.555 56.837 55.300 -0.031 0.000 1.117 101 M CB -0.306 32.288 32.600 -0.010 0.000 1.334 101 M HN 0.056 nan 8.290 nan 0.000 0.407 102 R N 0.731 121.178 120.500 -0.089 0.000 2.105 102 R HA -0.132 4.207 4.340 -0.002 0.000 0.239 102 R C 1.950 178.157 176.300 -0.156 0.000 1.135 102 R CA 1.319 57.352 56.100 -0.112 0.000 0.967 102 R CB -0.314 29.911 30.300 -0.126 0.000 0.861 102 R HN 0.376 nan 8.270 nan 0.000 0.442 103 L N 0.581 121.667 121.223 -0.229 0.000 2.275 103 L HA -0.116 4.223 4.340 -0.002 0.000 0.215 103 L C 1.291 178.082 176.870 -0.132 0.000 1.119 103 L CA 0.682 55.385 54.840 -0.227 0.000 0.790 103 L CB -0.222 41.644 42.059 -0.321 0.000 0.919 103 L HN 0.198 nan 8.230 nan 0.000 0.443 104 N N 0.048 118.690 118.700 -0.098 0.000 2.336 104 N HA 0.050 4.789 4.740 -0.002 0.000 0.189 104 N C 1.304 176.783 175.510 -0.052 0.000 1.113 104 N CA 0.946 53.959 53.050 -0.062 0.000 0.858 104 N CB 0.944 39.406 38.487 -0.042 0.000 0.970 104 N HN 0.376 nan 8.380 nan 0.000 0.471 105 G N 0.007 108.770 108.800 -0.061 0.000 2.157 105 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.239 105 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.239 105 G C 0.300 175.182 174.900 -0.030 0.000 0.982 105 G CA 0.052 45.124 45.100 -0.047 0.000 0.650 105 G HN 0.564 nan 8.290 nan 0.000 0.527 106 A N 0.765 123.569 122.820 -0.027 0.000 2.531 106 A HA 0.584 4.903 4.320 -0.002 0.000 0.236 106 A C 1.177 178.773 177.584 0.020 0.000 1.062 106 A CA 1.386 53.421 52.037 -0.005 0.000 0.760 106 A CB 0.058 19.053 19.000 -0.007 0.000 0.995 106 A HN 1.884 nan 8.150 nan 0.000 0.501 107 T N 0.119 114.707 114.554 0.057 0.000 2.882 107 T HA 0.320 4.669 4.350 -0.002 0.000 0.287 107 T C 0.960 175.796 174.700 0.228 0.000 1.014 107 T CA 0.318 62.508 62.100 0.150 0.000 1.049 107 T CB 0.306 69.290 68.868 0.193 0.000 1.001 107 T HN 0.791 nan 8.240 nan 0.000 0.525 108 Y N -0.228 120.050 120.300 -0.038 0.000 2.256 108 Y HA -0.115 4.434 4.550 -0.002 0.000 0.288 108 Y C 2.405 178.284 175.900 -0.034 0.000 1.155 108 Y CA 1.138 59.216 58.100 -0.038 0.000 1.203 108 Y CB -0.375 38.062 38.460 -0.039 0.000 0.980 108 Y HN 0.785 nan 8.280 nan 0.000 0.530 109 E N 1.076 121.107 120.200 -0.283 0.000 2.107 109 E HA -0.185 4.164 4.350 -0.002 0.000 0.191 109 E C 1.855 178.372 176.600 -0.137 0.000 0.982 109 E CA 1.168 57.341 56.400 -0.379 0.000 0.809 109 E CB -0.028 29.446 29.700 -0.377 0.000 0.756 109 E HN 0.699 nan 8.360 nan 0.000 0.459 110 E N 0.402 120.577 120.200 -0.042 0.000 2.077 110 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 110 E C 2.209 178.795 176.600 -0.024 0.000 0.989 110 E CA 1.089 57.475 56.400 -0.023 0.000 0.800 110 E CB -0.034 29.668 29.700 0.003 0.000 0.746 110 E HN 0.382 nan 8.360 nan 0.000 0.452 111 I N 1.133 121.696 120.570 -0.012 0.000 2.202 111 I HA -0.254 3.915 4.170 -0.002 0.000 0.242 111 I C 2.615 178.715 176.117 -0.029 0.000 1.091 111 I CA 0.855 62.148 61.300 -0.011 0.000 1.368 111 I CB -0.382 37.621 38.000 0.006 0.000 1.058 111 I HN 0.077 nan 8.210 nan 0.000 0.410 112 A N 0.791 123.579 122.820 -0.052 0.000 1.892 112 A HA -0.297 4.022 4.320 -0.002 0.000 0.218 112 A C 2.356 179.904 177.584 -0.060 0.000 1.188 112 A CA 2.066 54.062 52.037 -0.068 0.000 0.631 112 A CB -0.646 18.286 19.000 -0.114 0.000 0.822 112 A HN 0.311 nan 8.150 nan 0.000 0.447 113 K N -0.682 119.678 120.400 -0.066 0.000 2.152 113 K HA -0.106 4.213 4.320 -0.002 0.000 0.206 113 K C 1.784 178.363 176.600 -0.036 0.000 1.048 113 K CA 1.142 57.398 56.287 -0.053 0.000 0.933 113 K CB -0.245 32.223 32.500 -0.052 0.000 0.721 113 K HN 0.452 nan 8.250 nan 0.000 0.447 114 A N -0.509 122.293 122.820 -0.030 0.000 2.238 114 A HA 0.196 4.515 4.320 -0.002 0.000 0.208 114 A C 1.186 178.759 177.584 -0.018 0.000 1.177 114 A CA 0.837 52.863 52.037 -0.019 0.000 0.804 114 A CB -0.078 18.914 19.000 -0.013 0.000 0.823 114 A HN 0.474 nan 8.150 nan 0.000 0.482 115 G N -2.095 106.691 108.800 -0.024 0.000 2.144 115 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.218 115 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.218 115 G C 0.701 175.587 174.900 -0.023 0.000 0.988 115 G CA 0.208 45.295 45.100 -0.022 0.000 0.659 115 G HN 1.264 nan 8.290 nan 0.000 0.522 116 G N -0.795 107.991 108.800 -0.023 0.000 2.563 116 G HA2 0.831 4.789 3.960 -0.002 0.000 0.283 116 G HA3 0.831 4.789 3.960 -0.002 0.000 0.283 116 G C 0.881 175.763 174.900 -0.030 0.000 1.309 116 G CA 0.934 46.020 45.100 -0.022 0.000 1.022 116 G HN 2.004 nan 8.290 nan 0.000 0.501 117 G N -1.620 107.161 108.800 -0.031 0.000 2.655 117 G HA2 -0.111 3.847 3.960 -0.002 0.000 0.680 117 G HA3 -0.111 3.847 3.960 -0.002 0.000 0.680 117 G C 0.853 175.723 174.900 -0.051 0.000 1.302 117 G CA 0.042 45.121 45.100 -0.036 0.000 0.872 117 G HN 1.270 nan 8.290 nan 0.000 0.540 118 I N 0.010 120.549 120.570 -0.050 0.000 2.423 118 I HA -0.115 4.054 4.170 -0.002 0.000 0.254 118 I C 2.594 178.692 176.117 -0.032 0.000 1.151 118 I CA 2.113 63.384 61.300 -0.048 0.000 1.421 118 I CB -0.148 37.823 38.000 -0.048 0.000 1.079 118 I HN 0.678 nan 8.210 nan 0.000 0.431 119 V N -0.430 119.465 119.914 -0.032 0.000 2.568 119 V HA -0.292 3.827 4.120 -0.002 0.000 0.253 119 V C 2.434 178.515 176.094 -0.022 0.000 1.072 119 V CA 2.388 64.677 62.300 -0.018 0.000 1.084 119 V CB -0.206 31.603 31.823 -0.024 0.000 0.676 119 V HN 0.623 nan 8.190 nan 0.000 0.469 120 S N -0.633 115.041 115.700 -0.043 0.000 2.356 120 S HA -0.179 4.290 4.470 -0.002 0.000 0.223 120 S C 2.164 176.722 174.600 -0.069 0.000 1.032 120 S CA 2.127 60.298 58.200 -0.048 0.000 1.005 120 S CB -0.335 62.833 63.200 -0.054 0.000 0.867 120 S HN 0.748 nan 8.310 nan 0.000 0.449 121 S N 0.548 116.163 115.700 -0.141 0.000 2.383 121 S HA -0.030 4.438 4.470 -0.002 0.000 0.227 121 S C 1.866 176.407 174.600 -0.098 0.000 1.026 121 S CA 1.145 59.195 58.200 -0.250 0.000 0.981 121 S CB -0.338 62.451 63.200 -0.685 0.000 0.818 121 S HN 0.410 nan 8.310 nan 0.000 0.472 122 V N 1.920 121.838 119.914 0.007 0.000 2.261 122 V HA -0.178 3.940 4.120 -0.002 0.000 0.246 122 V C 2.452 178.588 176.094 0.070 0.000 1.047 122 V CA 1.688 64.049 62.300 0.101 0.000 1.015 122 V CB -0.585 31.301 31.823 0.104 0.000 0.642 122 V HN 0.359 nan 8.190 nan 0.000 0.446 123 R N 0.070 120.591 120.500 0.036 0.000 2.083 123 R HA -0.172 4.166 4.340 -0.002 0.000 0.237 123 R C 2.100 178.421 176.300 0.035 0.000 1.137 123 R CA 1.905 58.024 56.100 0.033 0.000 0.951 123 R CB -0.478 29.831 30.300 0.016 0.000 0.851 123 R HN 0.524 nan 8.270 nan 0.000 0.434 124 D N -0.603 119.812 120.400 0.025 0.000 2.178 124 D HA -0.089 4.549 4.640 -0.002 0.000 0.202 124 D C 1.680 178.012 176.300 0.054 0.000 0.974 124 D CA 1.289 55.309 54.000 0.033 0.000 0.841 124 D CB -0.168 40.650 40.800 0.030 0.000 0.953 124 D HN 0.212 nan 8.370 nan 0.000 0.478 125 T N 0.511 115.110 114.554 0.074 0.000 2.851 125 T HA -0.020 4.329 4.350 -0.002 0.000 0.262 125 T C 1.989 176.744 174.700 0.092 0.000 1.043 125 T CA 0.530 62.695 62.100 0.108 0.000 1.140 125 T CB 0.127 69.103 68.868 0.180 0.000 0.872 125 T HN 0.108 nan 8.240 nan 0.000 0.446 126 R N 1.115 121.668 120.500 0.088 0.000 2.096 126 R HA 0.056 4.395 4.340 -0.002 0.000 0.235 126 R C 2.574 178.909 176.300 0.057 0.000 1.127 126 R CA 1.221 57.367 56.100 0.077 0.000 0.968 126 R CB -0.339 30.006 30.300 0.075 0.000 0.861 126 R HN 0.321 nan 8.270 nan 0.000 0.440 127 A N 0.773 123.622 122.820 0.048 0.000 2.167 127 A HA 0.082 4.400 4.320 -0.002 0.000 0.214 127 A C 0.863 178.466 177.584 0.031 0.000 1.151 127 A CA 0.473 52.531 52.037 0.036 0.000 0.735 127 A CB -0.016 19.001 19.000 0.029 0.000 0.802 127 A HN 0.073 nan 8.150 nan 0.000 0.467 128 L N 0.473 121.716 121.223 0.034 0.000 2.331 128 L HA 0.379 4.718 4.340 -0.002 0.000 0.275 128 L C 0.786 177.671 176.870 0.026 0.000 1.022 128 L CA -0.741 54.114 54.840 0.025 0.000 0.812 128 L CB 1.837 43.907 42.059 0.019 0.000 1.257 128 L HN 0.286 nan 8.230 nan 0.000 0.435 129 S N -0.458 115.252 115.700 0.017 0.000 2.617 129 S HA 0.098 4.566 4.470 -0.002 0.000 0.259 129 S C 0.410 175.019 174.600 0.014 0.000 1.301 129 S CA -0.517 57.693 58.200 0.016 0.000 0.984 129 S CB 1.088 64.294 63.200 0.011 0.000 0.954 129 S HN 0.622 nan 8.310 nan 0.000 0.572 130 D N 0.957 121.365 120.400 0.014 0.000 2.084 130 D HA -0.054 4.585 4.640 -0.002 0.000 0.194 130 D C 1.889 178.190 176.300 0.001 0.000 0.990 130 D CA 1.677 55.684 54.000 0.012 0.000 0.826 130 D CB -0.415 40.392 40.800 0.012 0.000 0.971 130 D HN 0.691 nan 8.370 nan 0.000 0.453 131 E N -0.058 120.142 120.200 -0.001 0.000 2.097 131 E HA -0.129 4.220 4.350 -0.002 0.000 0.196 131 E C 2.194 178.785 176.600 -0.014 0.000 1.000 131 E CA 0.542 56.938 56.400 -0.007 0.000 0.804 131 E CB -0.363 29.334 29.700 -0.005 0.000 0.740 131 E HN 0.169 nan 8.360 nan 0.000 0.454 132 V N 0.408 120.315 119.914 -0.012 0.000 2.591 132 V HA -0.127 3.992 4.120 -0.002 0.000 0.249 132 V C 2.159 178.234 176.094 -0.033 0.000 1.053 132 V CA 1.005 63.294 62.300 -0.019 0.000 1.068 132 V CB -0.371 31.445 31.823 -0.012 0.000 0.689 132 V HN 0.220 nan 8.190 nan 0.000 0.462 133 L N -0.476 120.732 121.223 -0.026 0.000 2.093 133 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 133 L C 2.484 179.318 176.870 -0.060 0.000 1.085 133 L CA 1.027 55.842 54.840 -0.042 0.000 0.755 133 L CB -0.527 41.527 42.059 -0.009 0.000 0.904 133 L HN 0.195 nan 8.230 nan 0.000 0.435 134 V N 0.097 119.987 119.914 -0.040 0.000 2.295 134 V HA -0.298 3.821 4.120 -0.002 0.000 0.246 134 V C 2.760 178.820 176.094 -0.056 0.000 1.049 134 V CA 1.833 64.107 62.300 -0.043 0.000 1.024 134 V CB -0.825 30.982 31.823 -0.028 0.000 0.648 134 V HN 0.485 nan 8.190 nan 0.000 0.447 135 A N -0.948 121.842 122.820 -0.050 0.000 1.908 135 A HA -0.299 4.020 4.320 -0.002 0.000 0.218 135 A C 2.163 179.704 177.584 -0.072 0.000 1.181 135 A CA 2.034 54.040 52.037 -0.051 0.000 0.627 135 A CB -0.467 18.510 19.000 -0.039 0.000 0.818 135 A HN 0.637 nan 8.150 nan 0.000 0.445 136 Q N -1.137 118.606 119.800 -0.095 0.000 2.245 136 Q HA 0.059 4.397 4.340 -0.002 0.000 0.201 136 Q C 2.288 178.172 176.000 -0.193 0.000 0.955 136 Q CA 0.940 56.659 55.803 -0.140 0.000 0.870 136 Q CB -0.219 28.419 28.738 -0.167 0.000 0.945 136 Q HN 0.694 nan 8.270 nan 0.000 0.461 137 A N 0.601 123.314 122.820 -0.179 0.000 1.970 137 A HA -0.050 4.269 4.320 -0.002 0.000 0.216 137 A C 1.995 179.513 177.584 -0.111 0.000 1.170 137 A CA 0.448 52.378 52.037 -0.178 0.000 0.645 137 A CB -0.416 18.503 19.000 -0.136 0.000 0.816 137 A HN 0.247 nan 8.150 nan 0.000 0.447 138 L N -0.376 120.796 121.223 -0.086 0.000 2.043 138 L HA -0.177 4.162 4.340 -0.002 0.000 0.212 138 L C -0.497 176.337 176.870 -0.060 0.000 1.075 138 L CA 1.800 56.601 54.840 -0.066 0.000 0.752 138 L CB -1.395 40.630 42.059 -0.056 0.000 0.891 138 L HN 0.245 nan 8.230 nan 0.000 0.432 139 P HA -0.143 nan 4.420 nan 0.000 0.218 139 P C 1.383 178.660 177.300 -0.039 0.000 1.149 139 P CA 1.322 64.394 63.100 -0.048 0.000 0.817 139 P CB -0.011 31.660 31.700 -0.047 0.000 0.785 140 R N -1.142 119.331 120.500 -0.045 0.000 2.062 140 R HA -0.045 4.294 4.340 -0.002 0.000 0.229 140 R C 2.187 178.478 176.300 -0.015 0.000 1.128 140 R CA 0.889 56.979 56.100 -0.017 0.000 0.960 140 R CB -1.321 28.973 30.300 -0.011 0.000 0.855 140 R HN 0.156 nan 8.270 nan 0.000 0.432 141 L N 1.729 122.933 121.223 -0.032 0.000 2.012 141 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 141 L C 1.344 178.187 176.870 -0.044 0.000 1.073 141 L CA 1.976 56.794 54.840 -0.037 0.000 0.748 141 L CB -0.510 41.519 42.059 -0.051 0.000 0.891 141 L HN 0.055 nan 8.230 nan 0.000 0.431 142 D N -1.044 119.327 120.400 -0.047 0.000 2.178 142 D HA -0.155 4.484 4.640 -0.002 0.000 0.201 142 D C 2.062 178.338 176.300 -0.040 0.000 0.980 142 D CA 1.702 55.672 54.000 -0.050 0.000 0.842 142 D CB -0.207 40.565 40.800 -0.048 0.000 0.948 142 D HN 0.406 nan 8.370 nan 0.000 0.472 143 T N 1.043 115.581 114.554 -0.027 0.000 2.746 143 T HA -0.086 4.262 4.350 -0.002 0.000 0.267 143 T C 2.231 176.925 174.700 -0.010 0.000 1.039 143 T CA 0.600 62.690 62.100 -0.017 0.000 1.142 143 T CB -0.227 68.638 68.868 -0.006 0.000 0.866 143 T HN 0.129 nan 8.240 nan 0.000 0.444 144 L N 0.345 121.564 121.223 -0.007 0.000 2.056 144 L HA -0.014 4.324 4.340 -0.002 0.000 0.207 144 L C 2.479 179.341 176.870 -0.013 0.000 1.078 144 L CA 1.036 55.878 54.840 0.002 0.000 0.749 144 L CB -0.580 41.482 42.059 0.005 0.000 0.901 144 L HN 0.247 nan 8.230 nan 0.000 0.433 145 L N -0.350 120.847 121.223 -0.044 0.000 2.079 145 L HA -0.225 4.114 4.340 -0.002 0.000 0.210 145 L C 2.826 179.657 176.870 -0.065 0.000 1.081 145 L CA 1.599 56.395 54.840 -0.074 0.000 0.752 145 L CB -0.786 41.213 42.059 -0.100 0.000 0.896 145 L HN 0.422 nan 8.230 nan 0.000 0.433 146 S N -0.684 114.986 115.700 -0.049 0.000 2.469 146 S HA -0.177 4.292 4.470 -0.002 0.000 0.238 146 S C 1.427 176.010 174.600 -0.028 0.000 0.998 146 S CA 1.003 59.173 58.200 -0.049 0.000 0.957 146 S CB -0.322 62.853 63.200 -0.042 0.000 0.764 146 S HN 0.540 nan 8.310 nan 0.000 0.514 147 E N 0.503 120.711 120.200 0.013 0.000 2.444 147 E HA 0.306 4.655 4.350 -0.002 0.000 0.191 147 E C 1.029 177.705 176.600 0.127 0.000 1.041 147 E CA 0.151 56.613 56.400 0.103 0.000 0.883 147 E CB 0.104 29.884 29.700 0.134 0.000 1.024 147 E HN 0.703 nan 8.360 nan 0.000 0.470 148 G N 1.204 109.990 108.800 -0.022 0.000 2.141 148 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.231 148 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.231 148 G C 0.356 175.266 174.900 0.016 0.000 0.984 148 G CA 0.000 45.053 45.100 -0.078 0.000 0.660 148 G HN 0.166 nan 8.290 nan 0.000 0.525 149 V N 1.745 121.673 119.914 0.024 0.000 2.508 149 V HA 0.494 4.612 4.120 -0.002 0.000 0.281 149 V C 1.418 177.481 176.094 -0.051 0.000 1.041 149 V CA 1.069 63.381 62.300 0.019 0.000 1.016 149 V CB 1.432 33.266 31.823 0.018 0.000 0.984 149 V HN 0.935 nan 8.190 nan 0.000 0.478 150 S N 1.964 117.642 115.700 -0.037 0.000 2.632 150 S HA 0.195 4.663 4.470 -0.002 0.000 0.237 150 S C 0.493 175.038 174.600 -0.092 0.000 1.037 150 S CA -0.209 57.916 58.200 -0.125 0.000 1.009 150 S CB 0.581 63.786 63.200 0.007 0.000 0.974 150 S HN 0.620 nan 8.310 nan 0.000 0.544 151 T N 2.462 117.010 114.554 -0.010 0.000 2.881 151 T HA 0.664 5.012 4.350 -0.002 0.000 0.291 151 T C -1.074 173.628 174.700 0.002 0.000 0.990 151 T CA -0.354 61.756 62.100 0.017 0.000 0.976 151 T CB 1.336 70.243 68.868 0.064 0.000 0.970 151 T HN 0.267 nan 8.240 nan 0.000 0.438 152 I N 2.064 122.628 120.570 -0.010 0.000 2.619 152 I HA 0.398 4.567 4.170 -0.002 0.000 0.292 152 I C -0.188 175.924 176.117 -0.009 0.000 1.100 152 I CA -0.910 60.386 61.300 -0.006 0.000 1.043 152 I CB 2.336 40.327 38.000 -0.016 0.000 1.239 152 I HN 0.459 nan 8.210 nan 0.000 0.420 153 E N 7.136 127.330 120.200 -0.011 0.000 2.197 153 E HA 0.539 4.888 4.350 -0.002 0.000 0.281 153 E C -1.453 175.113 176.600 -0.057 0.000 0.995 153 E CA -0.429 55.949 56.400 -0.037 0.000 0.808 153 E CB 1.511 31.180 29.700 -0.052 0.000 1.093 153 E HN 0.494 nan 8.360 nan 0.000 0.394 154 I N 4.025 124.555 120.570 -0.066 0.000 2.498 154 I HA 0.309 4.478 4.170 -0.002 0.000 0.290 154 I C -0.046 175.999 176.117 -0.119 0.000 1.032 154 I CA -0.823 60.434 61.300 -0.072 0.000 1.073 154 I CB 1.924 39.912 38.000 -0.020 0.000 1.251 154 I HN 0.273 nan 8.210 nan 0.000 0.426 155 K N 3.301 123.573 120.400 -0.213 0.000 2.168 155 K HA 0.575 4.894 4.320 -0.002 0.000 0.239 155 K C 0.241 176.734 176.600 -0.177 0.000 0.999 155 K CA -0.668 55.458 56.287 -0.269 0.000 0.900 155 K CB 1.730 33.903 32.500 -0.546 0.000 1.111 155 K HN 0.715 nan 8.250 nan 0.000 0.452 156 S N -0.847 114.740 115.700 -0.188 0.000 2.430 156 S HA 0.576 5.045 4.470 -0.002 0.000 0.246 156 S C 1.068 175.518 174.600 -0.251 0.000 1.155 156 S CA 0.040 58.160 58.200 -0.134 0.000 1.054 156 S CB 0.335 63.461 63.200 -0.123 0.000 1.154 156 S HN 0.937 nan 8.310 nan 0.000 0.482 157 G N -0.950 107.724 108.800 -0.210 0.000 2.176 157 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.232 157 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.232 157 G C -0.093 174.768 174.900 -0.064 0.000 0.986 157 G CA 0.331 45.314 45.100 -0.195 0.000 0.643 157 G HN 0.606 nan 8.290 nan 0.000 0.522 158 Y N 0.631 121.029 120.300 0.163 0.000 2.716 158 Y HA 0.519 5.068 4.550 -0.002 0.000 0.260 158 Y C 1.764 177.731 175.900 0.113 0.000 1.141 158 Y CA -0.124 58.066 58.100 0.149 0.000 1.168 158 Y CB 0.640 39.196 38.460 0.160 0.000 1.189 158 Y HN 0.254 nan 8.280 nan 0.000 0.549 159 G N -1.076 107.852 108.800 0.212 0.000 2.907 159 G HA2 0.135 4.094 3.960 -0.002 0.000 0.200 159 G HA3 0.135 4.094 3.960 -0.002 0.000 0.200 159 G C 0.742 175.741 174.900 0.164 0.000 1.101 159 G CA 0.112 45.312 45.100 0.167 0.000 0.806 159 G HN 0.263 nan 8.290 nan 0.000 0.640 160 L N 0.942 122.272 121.223 0.178 0.000 4.496 160 L HA -0.155 4.184 4.340 -0.002 0.000 0.419 160 L C -0.878 176.170 176.870 0.296 0.000 1.139 160 L CA 0.901 55.893 54.840 0.253 0.000 0.975 160 L CB -2.204 39.947 42.059 0.153 0.000 2.099 160 L HN 0.627 nan 8.230 nan 0.000 0.818 161 D N -1.886 118.639 120.400 0.209 0.000 2.661 161 D HA 0.465 5.104 4.640 -0.002 0.000 0.228 161 D C 0.778 177.161 176.300 0.138 0.000 1.210 161 D CA -0.828 53.284 54.000 0.186 0.000 0.826 161 D CB 0.593 41.496 40.800 0.172 0.000 1.542 161 D HN -0.049 nan 8.370 nan 0.000 0.447 162 I N 0.516 121.157 120.570 0.117 0.000 2.118 162 I HA -0.356 3.813 4.170 -0.002 0.000 0.241 162 I C 1.784 177.966 176.117 0.108 0.000 1.070 162 I CA 1.664 63.031 61.300 0.112 0.000 1.327 162 I CB -0.281 37.769 38.000 0.082 0.000 1.034 162 I HN 0.486 nan 8.210 nan 0.000 0.405 163 E N 0.452 120.708 120.200 0.093 0.000 2.070 163 E HA -0.198 4.150 4.350 -0.002 0.000 0.197 163 E C 2.127 178.779 176.600 0.087 0.000 1.004 163 E CA 2.130 58.578 56.400 0.081 0.000 0.805 163 E CB -0.467 29.276 29.700 0.072 0.000 0.744 163 E HN 0.428 nan 8.360 nan 0.000 0.451 164 T N 0.877 115.489 114.554 0.097 0.000 2.857 164 T HA -0.070 4.278 4.350 -0.002 0.000 0.266 164 T C 1.488 176.249 174.700 0.103 0.000 1.048 164 T CA 0.855 63.016 62.100 0.100 0.000 1.139 164 T CB -0.099 68.836 68.868 0.112 0.000 0.874 164 T HN 0.063 nan 8.240 nan 0.000 0.455 165 E N 1.321 121.583 120.200 0.104 0.000 2.077 165 E HA -0.034 4.315 4.350 -0.002 0.000 0.193 165 E C 2.273 178.943 176.600 0.117 0.000 0.989 165 E CA 0.820 57.270 56.400 0.084 0.000 0.800 165 E CB -0.420 29.321 29.700 0.069 0.000 0.746 165 E HN 0.464 nan 8.360 nan 0.000 0.452 166 L N 0.600 121.902 121.223 0.131 0.000 2.056 166 L HA -0.147 4.192 4.340 -0.002 0.000 0.207 166 L C 2.675 179.595 176.870 0.083 0.000 1.078 166 L CA 1.136 56.045 54.840 0.114 0.000 0.749 166 L CB -0.375 41.738 42.059 0.091 0.000 0.901 166 L HN 0.081 nan 8.230 nan 0.000 0.433 167 K N 0.327 120.773 120.400 0.076 0.000 2.097 167 K HA -0.193 4.125 4.320 -0.002 0.000 0.206 167 K C 2.185 178.823 176.600 0.063 0.000 1.049 167 K CA 1.394 57.718 56.287 0.063 0.000 0.933 167 K CB -0.023 32.515 32.500 0.063 0.000 0.717 167 K HN 0.183 nan 8.250 nan 0.000 0.442 168 M N 0.627 120.273 119.600 0.077 0.000 2.086 168 M HA -0.195 4.283 4.480 -0.002 0.000 0.261 168 M C 2.119 178.453 176.300 0.057 0.000 1.067 168 M CA 1.615 56.961 55.300 0.077 0.000 1.116 168 M CB -0.303 32.352 32.600 0.091 0.000 1.348 168 M HN 0.162 nan 8.290 nan 0.000 0.407 169 L N -0.821 120.438 121.223 0.061 0.000 2.042 169 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 169 L C 2.606 179.500 176.870 0.039 0.000 1.076 169 L CA 1.335 56.207 54.840 0.053 0.000 0.749 169 L CB -0.674 41.432 42.059 0.079 0.000 0.893 169 L HN 0.279 nan 8.230 nan 0.000 0.432 170 R N -0.383 120.142 120.500 0.040 0.000 2.083 170 R HA -0.147 4.192 4.340 -0.002 0.000 0.237 170 R C 2.268 178.580 176.300 0.020 0.000 1.137 170 R CA 1.446 57.563 56.100 0.028 0.000 0.951 170 R CB -0.336 29.982 30.300 0.029 0.000 0.851 170 R HN 0.145 nan 8.270 nan 0.000 0.434 171 V N 0.587 120.515 119.914 0.023 0.000 2.343 171 V HA -0.248 3.871 4.120 -0.002 0.000 0.247 171 V C 2.348 178.446 176.094 0.006 0.000 1.051 171 V CA 1.917 64.224 62.300 0.013 0.000 1.036 171 V CB -0.714 31.119 31.823 0.016 0.000 0.654 171 V HN 0.468 nan 8.190 nan 0.000 0.451 172 A N 0.003 122.830 122.820 0.012 0.000 1.883 172 A HA -0.212 4.107 4.320 -0.002 0.000 0.217 172 A C 2.362 179.947 177.584 0.001 0.000 1.186 172 A CA 1.592 53.633 52.037 0.005 0.000 0.624 172 A CB -0.470 18.535 19.000 0.009 0.000 0.822 172 A HN 0.393 nan 8.150 nan 0.000 0.444 173 R N -0.652 119.852 120.500 0.007 0.000 2.091 173 R HA -0.127 4.211 4.340 -0.002 0.000 0.238 173 R C 2.228 178.529 176.300 0.001 0.000 1.136 173 R CA 1.727 57.830 56.100 0.006 0.000 0.959 173 R CB -0.822 29.483 30.300 0.009 0.000 0.856 173 R HN 0.537 nan 8.270 nan 0.000 0.437 174 R N 1.346 121.846 120.500 0.000 0.000 2.096 174 R HA -0.015 4.323 4.340 -0.002 0.000 0.235 174 R C 2.259 178.552 176.300 -0.012 0.000 1.127 174 R CA 1.191 57.288 56.100 -0.004 0.000 0.968 174 R CB -0.767 29.530 30.300 -0.004 0.000 0.861 174 R HN 0.231 nan 8.270 nan 0.000 0.440 175 L N 0.145 121.358 121.223 -0.017 0.000 2.083 175 L HA -0.125 4.214 4.340 -0.002 0.000 0.209 175 L C 2.457 179.306 176.870 -0.034 0.000 1.083 175 L CA 1.858 56.681 54.840 -0.029 0.000 0.752 175 L CB -0.544 41.495 42.059 -0.033 0.000 0.899 175 L HN 0.380 nan 8.230 nan 0.000 0.433 176 E N 0.018 120.203 120.200 -0.025 0.000 2.265 176 E HA -0.220 4.128 4.350 -0.002 0.000 0.196 176 E C 1.869 178.463 176.600 -0.010 0.000 0.996 176 E CA 1.547 57.934 56.400 -0.023 0.000 0.832 176 E CB 0.137 29.837 29.700 -0.001 0.000 0.756 176 E HN 0.542 nan 8.360 nan 0.000 0.491 177 T N -2.269 112.281 114.554 -0.007 0.000 3.100 177 T HA 0.080 4.429 4.350 -0.002 0.000 0.253 177 T C 1.519 176.215 174.700 -0.008 0.000 1.118 177 T CA 0.074 62.174 62.100 0.000 0.000 1.058 177 T CB 0.074 68.942 68.868 0.001 0.000 0.953 177 T HN 0.126 nan 8.240 nan 0.000 0.515 178 L N -0.641 120.569 121.223 -0.021 0.000 2.664 178 L HA 0.485 4.824 4.340 -0.002 0.000 0.233 178 L C 0.730 177.577 176.870 -0.039 0.000 1.113 178 L CA -0.276 54.547 54.840 -0.027 0.000 0.896 178 L CB 0.244 42.285 42.059 -0.029 0.000 1.163 178 L HN 0.002 nan 8.230 nan 0.000 0.497 179 R N 0.210 120.677 120.500 -0.055 0.000 2.739 179 R HA 0.375 4.714 4.340 -0.002 0.000 0.271 179 R C -2.750 173.476 176.300 -0.123 0.000 1.010 179 R CA -1.778 54.270 56.100 -0.087 0.000 0.897 179 R CB 1.064 31.296 30.300 -0.113 0.000 1.236 179 R HN -0.352 nan 8.270 nan 0.000 0.466 180 P HA 0.176 nan 4.420 nan 0.000 0.256 180 P C -0.633 176.125 177.300 -0.903 0.000 1.689 180 P CA -0.006 62.951 63.100 -0.238 0.000 1.124 180 P CB 0.565 32.246 31.700 -0.032 0.000 1.766 181 V N 3.624 123.018 119.914 -0.866 0.000 3.120 181 V HA 0.443 4.561 4.120 -0.002 0.000 0.303 181 V C -1.057 174.806 176.094 -0.385 0.000 1.238 181 V CA -1.196 60.561 62.300 -0.904 0.000 1.008 181 V CB 3.100 34.676 31.823 -0.412 0.000 1.064 181 V HN 0.330 nan 8.190 nan 0.000 0.434 182 R N 5.167 125.568 120.500 -0.165 0.000 2.207 182 R HA 0.652 4.990 4.340 -0.002 0.000 0.334 182 R C -1.298 175.013 176.300 0.018 0.000 1.013 182 R CA -0.426 55.738 56.100 0.107 0.000 0.858 182 R CB 0.800 31.243 30.300 0.239 0.000 1.094 182 R HN 0.746 nan 8.270 nan 0.000 0.457 183 I N 6.025 126.605 120.570 0.017 0.000 2.406 183 I HA 0.283 4.451 4.170 -0.002 0.000 0.290 183 I C -0.211 175.912 176.117 0.011 0.000 0.999 183 I CA -1.129 60.171 61.300 0.000 0.000 1.124 183 I CB 1.968 39.960 38.000 -0.013 0.000 1.289 183 I HN 0.394 nan 8.210 nan 0.000 0.441 184 V N 2.053 121.969 119.914 0.003 0.000 2.715 184 V HA 0.802 4.920 4.120 -0.002 0.000 0.310 184 V C -0.014 176.074 176.094 -0.011 0.000 1.054 184 V CA -0.441 61.860 62.300 0.002 0.000 0.928 184 V CB 1.539 33.363 31.823 0.001 0.000 1.007 184 V HN 0.811 nan 8.190 nan 0.000 0.437 185 T N 0.358 114.909 114.554 -0.006 0.000 2.932 185 T HA 0.779 5.127 4.350 -0.002 0.000 0.289 185 T C -0.220 174.472 174.700 -0.013 0.000 1.039 185 T CA -0.643 61.450 62.100 -0.011 0.000 1.024 185 T CB 1.735 70.610 68.868 0.012 0.000 1.090 185 T HN 0.884 nan 8.240 nan 0.000 0.496 186 S N 1.027 116.708 115.700 -0.031 0.000 2.672 186 S HA 0.350 4.818 4.470 -0.002 0.000 0.291 186 S C -1.492 173.110 174.600 0.004 0.000 1.145 186 S CA -0.765 57.421 58.200 -0.024 0.000 1.013 186 S CB 0.667 63.809 63.200 -0.096 0.000 1.017 186 S HN 0.737 nan 8.310 nan 0.000 0.487 187 Y N 4.209 124.475 120.300 -0.057 0.000 2.537 187 Y HA 0.384 4.932 4.550 -0.002 0.000 0.339 187 Y C -0.067 175.801 175.900 -0.052 0.000 1.066 187 Y CA -0.270 57.802 58.100 -0.046 0.000 1.357 187 Y CB 0.357 38.799 38.460 -0.030 0.000 1.175 187 Y HN 0.537 nan 8.280 nan 0.000 0.525 188 L N 7.255 128.186 121.223 -0.487 0.000 3.083 188 L HA 0.473 4.812 4.340 -0.002 0.000 0.286 188 L C 1.049 177.675 176.870 -0.408 0.000 1.307 188 L CA 0.330 54.934 54.840 -0.393 0.000 0.897 188 L CB -0.385 41.448 42.059 -0.375 0.000 1.306 188 L HN 0.806 nan 8.230 nan 0.000 0.569 189 A N 0.765 123.165 122.820 -0.700 0.000 1.969 189 A HA 0.122 4.441 4.320 -0.002 0.000 0.218 189 A C 1.671 179.267 177.584 0.021 0.000 1.169 189 A CA 1.083 52.913 52.037 -0.344 0.000 0.635 189 A CB -0.353 18.383 19.000 -0.441 0.000 0.810 189 A HN 0.632 nan 8.150 nan 0.000 0.445 190 A N -1.012 121.767 122.820 -0.068 0.000 3.029 190 A HA 0.270 4.589 4.320 -0.002 0.000 0.251 190 A C 0.983 178.815 177.584 0.413 0.000 1.749 190 A CA 0.356 52.374 52.037 -0.032 0.000 1.386 190 A CB -1.126 17.663 19.000 -0.352 0.000 1.043 190 A HN 0.760 nan 8.150 nan 0.000 0.638 191 H N -0.374 118.913 119.070 0.362 0.000 2.460 191 H HA 0.533 5.088 4.556 -0.001 0.000 0.297 191 H C 0.674 176.215 175.328 0.354 0.000 1.023 191 H CA 0.772 56.978 56.048 0.264 0.000 1.321 191 H CB 0.484 30.245 29.762 -0.001 0.000 1.455 191 H HN 0.634 nan 8.280 nan 0.000 0.539 192 A N -0.015 123.013 122.820 0.347 0.000 2.586 192 A HA 0.429 4.748 4.320 -0.002 0.000 0.290 192 A C -1.086 176.432 177.584 -0.111 0.000 1.086 192 A CA -0.620 51.408 52.037 -0.014 0.000 0.665 192 A CB 1.281 20.213 19.000 -0.113 0.000 1.279 192 A HN 0.135 nan 8.150 nan 0.000 0.423 193 T N 3.666 118.031 114.554 -0.315 0.000 2.743 193 T HA 0.597 4.946 4.350 -0.002 0.000 0.292 193 T C -2.287 172.223 174.700 -0.317 0.000 0.972 193 T CA -0.751 61.073 62.100 -0.459 0.000 0.967 193 T CB 0.916 69.603 68.868 -0.302 0.000 0.926 193 T HN 0.580 nan 8.240 nan 0.000 0.459 194 P HA 0.215 nan 4.420 nan 0.000 0.271 194 P C 0.844 178.128 177.300 -0.027 0.000 1.244 194 P CA -0.381 62.658 63.100 -0.100 0.000 0.793 194 P CB 0.668 32.368 31.700 -0.000 0.000 0.984 195 A N 1.914 124.730 122.820 -0.006 0.000 1.873 195 A HA -0.221 4.098 4.320 -0.002 0.000 0.218 195 A C 1.650 179.227 177.584 -0.012 0.000 1.193 195 A CA 2.229 54.258 52.037 -0.013 0.000 0.629 195 A CB -1.575 17.416 19.000 -0.013 0.000 0.826 195 A HN 0.733 nan 8.150 nan 0.000 0.447 196 D N -2.592 117.806 120.400 -0.004 0.000 2.392 196 D HA -0.116 4.522 4.640 -0.002 0.000 0.228 196 D C 0.338 176.484 176.300 -0.258 0.000 1.003 196 D CA 0.695 54.632 54.000 -0.104 0.000 0.917 196 D CB -0.291 40.445 40.800 -0.107 0.000 0.890 196 D HN 0.589 nan 8.370 nan 0.000 0.532 197 Y N -0.361 119.936 120.300 -0.005 0.000 2.717 197 Y HA 0.165 4.714 4.550 -0.001 0.000 0.250 197 Y C 0.586 176.476 175.900 -0.016 0.000 1.149 197 Y CA -0.988 57.123 58.100 0.019 0.000 1.211 197 Y CB 0.442 38.937 38.460 0.058 0.000 1.289 197 Y HN -0.266 nan 8.280 nan 0.000 0.552 198 K N 1.157 121.588 120.400 0.052 0.000 2.511 198 K HA 0.127 4.446 4.320 -0.002 0.000 0.280 198 K C 1.245 177.860 176.600 0.024 0.000 1.008 198 K CA 1.059 57.351 56.287 0.009 0.000 1.050 198 K CB 0.187 32.673 32.500 -0.024 0.000 0.889 198 K HN 0.611 nan 8.250 nan 0.000 0.484 199 G N 4.644 113.453 108.800 0.015 0.000 2.189 199 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.267 199 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.267 199 G C 0.102 175.043 174.900 0.067 0.000 0.975 199 G CA 0.667 45.781 45.100 0.023 0.000 0.644 199 G HN 0.641 nan 8.290 nan 0.000 0.537 200 R N 0.100 120.676 120.500 0.127 0.000 3.026 200 R HA 0.287 4.626 4.340 -0.002 0.000 0.317 200 R C 0.775 177.236 176.300 0.268 0.000 1.278 200 R CA -0.567 55.650 56.100 0.195 0.000 1.407 200 R CB 0.107 30.556 30.300 0.249 0.000 1.368 200 R HN 0.096 nan 8.270 nan 0.000 0.612 201 N N 2.023 120.858 118.700 0.225 0.000 2.120 201 N HA -0.169 4.570 4.740 -0.002 0.000 0.188 201 N C 1.822 177.508 175.510 0.292 0.000 1.024 201 N CA 1.757 55.014 53.050 0.345 0.000 0.852 201 N CB -0.057 38.633 38.487 0.339 0.000 1.003 201 N HN 0.424 nan 8.380 nan 0.000 0.424 202 A N 1.168 124.098 122.820 0.184 0.000 1.908 202 A HA -0.160 4.159 4.320 -0.002 0.000 0.218 202 A C 1.739 179.380 177.584 0.094 0.000 1.181 202 A CA 1.736 53.838 52.037 0.109 0.000 0.627 202 A CB -0.487 18.563 19.000 0.084 0.000 0.818 202 A HN 0.175 nan 8.150 nan 0.000 0.445 203 D N -1.872 118.623 120.400 0.158 0.000 2.178 203 D HA -0.127 4.512 4.640 -0.002 0.000 0.202 203 D C 1.646 177.984 176.300 0.064 0.000 0.974 203 D CA 1.354 55.464 54.000 0.183 0.000 0.841 203 D CB -0.350 40.649 40.800 0.330 0.000 0.953 203 D HN 0.607 nan 8.370 nan 0.000 0.478 204 Y N 1.622 121.843 120.300 -0.131 0.000 2.163 204 Y HA -0.122 4.427 4.550 -0.002 0.000 0.288 204 Y C 2.154 177.874 175.900 -0.300 0.000 1.136 204 Y CA 1.058 58.848 58.100 -0.517 0.000 1.147 204 Y CB -0.471 37.852 38.460 -0.229 0.000 0.987 204 Y HN -0.126 nan 8.280 nan 0.000 0.509 205 I N -0.769 119.614 120.570 -0.311 0.000 2.315 205 I HA -0.300 3.869 4.170 -0.002 0.000 0.248 205 I C 2.183 178.137 176.117 -0.271 0.000 1.117 205 I CA 1.729 62.799 61.300 -0.383 0.000 1.404 205 I CB -0.560 37.295 38.000 -0.241 0.000 1.071 205 I HN 0.200 nan 8.210 nan 0.000 0.419 206 T N 0.046 114.504 114.554 -0.159 0.000 2.737 206 T HA -0.141 4.208 4.350 -0.002 0.000 0.265 206 T C 1.455 176.095 174.700 -0.100 0.000 1.038 206 T CA 1.494 63.539 62.100 -0.092 0.000 1.144 206 T CB -0.177 68.679 68.868 -0.019 0.000 0.866 206 T HN 0.313 nan 8.240 nan 0.000 0.434 207 D N 0.195 120.522 120.400 -0.121 0.000 2.183 207 D HA 0.063 4.702 4.640 -0.002 0.000 0.205 207 D C 2.070 178.289 176.300 -0.135 0.000 0.962 207 D CA 0.643 54.601 54.000 -0.069 0.000 0.849 207 D CB 0.052 40.896 40.800 0.073 0.000 0.978 207 D HN 0.276 nan 8.370 nan 0.000 0.488 208 V N 0.144 119.860 119.914 -0.330 0.000 2.854 208 V HA -0.037 4.082 4.120 -0.002 0.000 0.236 208 V C 2.509 178.432 176.094 -0.285 0.000 1.157 208 V CA 0.242 62.359 62.300 -0.304 0.000 1.187 208 V CB -0.115 31.482 31.823 -0.377 0.000 0.949 208 V HN -0.063 nan 8.190 nan 0.000 0.488 209 V N 0.964 120.575 119.914 -0.505 0.000 2.220 209 V HA -0.293 3.826 4.120 -0.002 0.000 0.246 209 V C 2.400 178.459 176.094 -0.058 0.000 1.049 209 V CA 2.489 64.639 62.300 -0.250 0.000 1.003 209 V CB -0.785 30.803 31.823 -0.391 0.000 0.634 209 V HN 0.406 nan 8.190 nan 0.000 0.444 210 L N -0.187 120.955 121.223 -0.135 0.000 1.989 210 L HA -0.133 4.205 4.340 -0.002 0.000 0.211 210 L C 0.164 176.971 176.870 -0.105 0.000 1.071 210 L CA 1.890 56.666 54.840 -0.106 0.000 0.749 210 L CB -2.024 39.975 42.059 -0.099 0.000 0.890 210 L HN 0.359 nan 8.230 nan 0.000 0.431 211 P HA -0.111 nan 4.420 nan 0.000 0.218 211 P C 1.565 178.824 177.300 -0.069 0.000 1.149 211 P CA 1.597 64.658 63.100 -0.065 0.000 0.817 211 P CB -0.147 31.527 31.700 -0.043 0.000 0.785 212 G N 0.015 108.789 108.800 -0.044 0.000 2.408 212 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.217 212 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.217 212 G C 1.419 176.128 174.900 -0.318 0.000 1.150 212 G CA 0.416 45.517 45.100 0.002 0.000 0.776 212 G HN 0.211 nan 8.290 nan 0.000 0.542 213 L N 0.909 121.800 121.223 -0.553 0.000 2.017 213 L HA 0.009 4.347 4.340 -0.002 0.000 0.208 213 L C 2.612 179.256 176.870 -0.377 0.000 1.073 213 L CA 2.035 56.371 54.840 -0.840 0.000 0.745 213 L CB -0.796 40.941 42.059 -0.538 0.000 0.894 213 L HN 0.360 nan 8.230 nan 0.000 0.432 214 E N -0.368 119.708 120.200 -0.207 0.000 2.058 214 E HA -0.308 4.040 4.350 -0.002 0.000 0.194 214 E C 2.141 178.701 176.600 -0.066 0.000 0.997 214 E CA 1.535 57.880 56.400 -0.092 0.000 0.801 214 E CB -0.194 29.468 29.700 -0.062 0.000 0.746 214 E HN 0.337 nan 8.360 nan 0.000 0.450 215 K N 1.265 121.613 120.400 -0.086 0.000 2.057 215 K HA -0.100 4.219 4.320 -0.002 0.000 0.207 215 K C 1.942 178.508 176.600 -0.056 0.000 1.049 215 K CA 1.412 57.667 56.287 -0.053 0.000 0.931 215 K CB -0.383 32.099 32.500 -0.029 0.000 0.714 215 K HN 0.103 nan 8.250 nan 0.000 0.440 216 A N -0.231 122.526 122.820 -0.105 0.000 1.877 216 A HA -0.204 4.115 4.320 -0.002 0.000 0.216 216 A C 2.151 179.717 177.584 -0.030 0.000 1.186 216 A CA 2.045 54.041 52.037 -0.068 0.000 0.620 216 A CB -1.038 17.881 19.000 -0.135 0.000 0.822 216 A HN 0.614 nan 8.150 nan 0.000 0.443 217 H N 0.077 119.058 119.070 -0.148 0.000 2.353 217 H HA 0.059 4.612 4.556 -0.005 0.000 0.300 217 H C 2.145 177.433 175.328 -0.068 0.000 1.090 217 H CA 1.712 57.698 56.048 -0.103 0.000 1.327 217 H CB -0.355 29.337 29.762 -0.115 0.000 1.383 217 H HN 0.377 nan 8.280 nan 0.000 0.508 218 A N 0.482 123.232 122.820 -0.117 0.000 2.024 218 A HA -0.170 4.148 4.320 -0.002 0.000 0.220 218 A C 2.044 179.544 177.584 -0.140 0.000 1.164 218 A CA 1.891 53.839 52.037 -0.149 0.000 0.643 218 A CB -0.315 18.645 19.000 -0.066 0.000 0.806 218 A HN 0.681 nan 8.150 nan 0.000 0.451 219 E N -1.682 118.457 120.200 -0.101 0.000 2.479 219 E HA 0.273 4.622 4.350 -0.002 0.000 0.193 219 E C 0.977 177.531 176.600 -0.076 0.000 1.049 219 E CA 0.195 56.553 56.400 -0.070 0.000 0.870 219 E CB -0.022 29.658 29.700 -0.033 0.000 0.944 219 E HN 0.710 nan 8.360 nan 0.000 0.492 220 G N 1.617 110.345 108.800 -0.121 0.000 2.198 220 G HA2 -0.284 3.674 3.960 -0.002 0.000 0.260 220 G HA3 -0.284 3.674 3.960 -0.002 0.000 0.260 220 G C 0.654 175.538 174.900 -0.028 0.000 1.025 220 G CA 0.286 45.329 45.100 -0.095 0.000 0.769 220 G HN 0.289 nan 8.290 nan 0.000 0.507 221 L N -0.751 120.467 121.223 -0.007 0.000 2.529 221 L HA 0.501 4.840 4.340 -0.002 0.000 0.223 221 L C 1.553 178.451 176.870 0.047 0.000 1.113 221 L CA 0.788 55.642 54.840 0.022 0.000 0.861 221 L CB 0.234 42.312 42.059 0.032 0.000 1.012 221 L HN 0.492 nan 8.230 nan 0.000 0.461 222 A N -0.511 122.345 122.820 0.060 0.000 2.304 222 A HA 0.360 4.679 4.320 -0.002 0.000 0.314 222 A C -0.078 177.550 177.584 0.072 0.000 1.187 222 A CA -0.566 51.516 52.037 0.076 0.000 0.810 222 A CB 0.695 19.736 19.000 0.068 0.000 1.183 222 A HN 0.003 nan 8.150 nan 0.000 0.487 223 D N 1.256 121.682 120.400 0.044 0.000 2.240 223 D HA 0.302 4.941 4.640 -0.002 0.000 0.206 223 D C 0.824 177.128 176.300 0.006 0.000 0.963 223 D CA 1.682 55.699 54.000 0.028 0.000 0.863 223 D CB 0.636 41.445 40.800 0.014 0.000 0.973 223 D HN 0.714 nan 8.370 nan 0.000 0.501 224 A N -0.148 122.673 122.820 0.001 0.000 2.593 224 A HA 0.585 4.904 4.320 -0.002 0.000 0.290 224 A C -1.333 176.256 177.584 0.008 0.000 1.126 224 A CA -0.531 51.490 52.037 -0.025 0.000 0.695 224 A CB 1.695 20.669 19.000 -0.044 0.000 1.290 224 A HN -0.117 nan 8.150 nan 0.000 0.414 225 V N 1.612 121.520 119.914 -0.011 0.000 2.495 225 V HA 0.484 4.603 4.120 -0.002 0.000 0.298 225 V C -0.613 175.530 176.094 0.081 0.000 1.031 225 V CA -0.354 61.993 62.300 0.079 0.000 0.871 225 V CB 1.551 33.416 31.823 0.071 0.000 0.988 225 V HN 0.974 nan 8.190 nan 0.000 0.432 226 D N 2.037 122.511 120.400 0.123 0.000 2.592 226 D HA 0.863 5.502 4.640 -0.002 0.000 0.259 226 D C -0.032 176.408 176.300 0.233 0.000 1.144 226 D CA 0.054 54.149 54.000 0.160 0.000 1.080 226 D CB 2.455 43.282 40.800 0.045 0.000 1.225 226 D HN 0.800 nan 8.370 nan 0.000 0.619 227 G N -0.677 108.296 108.800 0.288 0.000 2.547 227 G HA2 0.404 4.363 3.960 -0.002 0.000 0.291 227 G HA3 0.404 4.363 3.960 -0.002 0.000 0.291 227 G C -2.103 173.043 174.900 0.409 0.000 1.471 227 G CA -0.606 44.644 45.100 0.250 0.000 0.798 227 G HN 0.188 nan 8.290 nan 0.000 0.504 228 F N 1.839 121.918 119.950 0.215 0.000 2.434 228 F HA 0.516 5.042 4.527 -0.002 0.000 0.367 228 F C 0.024 175.962 175.800 0.229 0.000 1.093 228 F CA -2.009 56.130 58.000 0.231 0.000 1.085 228 F CB 0.951 40.083 39.000 0.220 0.000 1.322 228 F HN 0.514 nan 8.300 nan 0.000 0.452 229 C N 6.129 125.549 119.300 0.201 0.000 2.158 229 C HA 0.702 5.160 4.460 -0.002 0.000 0.350 229 C C -0.335 174.552 174.990 -0.170 0.000 1.064 229 C CA 0.096 59.121 59.018 0.012 0.000 1.507 229 C CB -1.741 26.035 27.740 0.061 0.000 1.934 229 C HN 0.881 nan 8.230 nan 0.000 0.479 230 E N 2.009 121.977 120.200 -0.387 0.000 2.412 230 E HA 0.482 4.831 4.350 -0.002 0.000 0.279 230 E C 0.804 177.191 176.600 -0.356 0.000 0.984 230 E CA 0.098 56.236 56.400 -0.436 0.000 0.788 230 E CB 1.145 30.368 29.700 -0.796 0.000 1.277 230 E HN 0.432 nan 8.360 nan 0.000 0.455 231 G N 1.529 110.172 108.800 -0.263 0.000 2.499 231 G HA2 -0.185 3.773 3.960 -0.002 0.000 0.221 231 G HA3 -0.185 3.773 3.960 -0.002 0.000 0.221 231 G C 1.209 175.972 174.900 -0.228 0.000 1.109 231 G CA 1.301 46.277 45.100 -0.206 0.000 0.749 231 G HN 0.588 nan 8.290 nan 0.000 0.568 232 I N -3.248 117.150 120.570 -0.286 0.000 3.883 232 I HA 0.683 4.851 4.170 -0.002 0.000 0.326 232 I C 1.280 177.191 176.117 -0.344 0.000 1.283 232 I CA 0.314 61.462 61.300 -0.252 0.000 1.161 232 I CB 0.415 38.312 38.000 -0.172 0.000 1.012 232 I HN 0.119 nan 8.210 nan 0.000 0.421 233 A N 0.704 123.235 122.820 -0.482 0.000 2.677 233 A HA 0.657 4.976 4.320 -0.002 0.000 0.197 233 A C -0.638 176.530 177.584 -0.692 0.000 1.471 233 A CA -0.247 51.424 52.037 -0.610 0.000 1.527 233 A CB -0.087 18.537 19.000 -0.627 0.000 1.695 233 A HN 0.151 nan 8.150 nan 0.000 0.557 234 F N 1.099 120.954 119.950 -0.157 0.000 2.470 234 F HA 0.547 5.073 4.527 -0.001 0.000 0.329 234 F C 1.129 176.859 175.800 -0.116 0.000 1.072 234 F CA -0.132 57.812 58.000 -0.093 0.000 0.989 234 F CB 1.798 40.774 39.000 -0.040 0.000 1.193 234 F HN 0.462 nan 8.300 nan 0.000 0.481 235 S N 0.416 116.185 115.700 0.116 0.000 2.645 235 S HA 0.320 4.788 4.470 -0.002 0.000 0.266 235 S C 0.886 175.495 174.600 0.016 0.000 1.258 235 S CA -0.774 57.444 58.200 0.030 0.000 0.990 235 S CB 1.213 64.428 63.200 0.025 0.000 0.967 235 S HN 0.404 nan 8.310 nan 0.000 0.556 236 V N 1.960 121.872 119.914 -0.004 0.000 2.255 236 V HA -0.194 3.925 4.120 -0.002 0.000 0.247 236 V C 2.706 178.786 176.094 -0.025 0.000 1.051 236 V CA 2.149 64.440 62.300 -0.015 0.000 1.018 236 V CB -0.997 30.833 31.823 0.011 0.000 0.641 236 V HN 0.880 nan 8.190 nan 0.000 0.445 237 K N -0.298 120.102 120.400 -0.001 0.000 2.103 237 K HA -0.223 4.096 4.320 -0.002 0.000 0.207 237 K C 2.123 178.711 176.600 -0.020 0.000 1.048 237 K CA 1.823 58.111 56.287 0.002 0.000 0.930 237 K CB -0.211 32.298 32.500 0.016 0.000 0.716 237 K HN 0.604 nan 8.250 nan 0.000 0.444 238 E N 0.470 120.663 120.200 -0.011 0.000 2.107 238 E HA -0.117 4.232 4.350 -0.002 0.000 0.191 238 E C 1.947 178.451 176.600 -0.159 0.000 0.982 238 E CA 0.640 57.019 56.400 -0.034 0.000 0.809 238 E CB 0.060 29.814 29.700 0.091 0.000 0.756 238 E HN 0.168 nan 8.360 nan 0.000 0.459 239 I N 1.596 122.047 120.570 -0.199 0.000 2.394 239 I HA -0.196 3.973 4.170 -0.002 0.000 0.251 239 I C 2.079 177.880 176.117 -0.525 0.000 1.136 239 I CA 1.303 62.344 61.300 -0.432 0.000 1.425 239 I CB -0.949 36.752 38.000 -0.499 0.000 1.079 239 I HN 0.104 nan 8.210 nan 0.000 0.425 240 D N 0.975 121.210 120.400 -0.274 0.000 2.123 240 D HA -0.203 4.435 4.640 -0.002 0.000 0.196 240 D C 2.349 178.611 176.300 -0.062 0.000 0.992 240 D CA 1.339 55.275 54.000 -0.106 0.000 0.833 240 D CB 0.116 40.950 40.800 0.056 0.000 0.954 240 D HN 0.177 nan 8.370 nan 0.000 0.455 241 R N -0.337 120.114 120.500 -0.081 0.000 2.091 241 R HA -0.102 4.237 4.340 -0.002 0.000 0.238 241 R C 2.406 178.665 176.300 -0.069 0.000 1.136 241 R CA 1.305 57.373 56.100 -0.052 0.000 0.959 241 R CB -0.384 29.874 30.300 -0.070 0.000 0.856 241 R HN 0.183 nan 8.270 nan 0.000 0.437 242 V N 0.465 120.296 119.914 -0.138 0.000 2.307 242 V HA -0.217 3.902 4.120 -0.002 0.000 0.245 242 V C 2.091 178.212 176.094 0.045 0.000 1.045 242 V CA 1.578 63.828 62.300 -0.083 0.000 1.024 242 V CB -0.544 31.196 31.823 -0.139 0.000 0.651 242 V HN 0.148 nan 8.190 nan 0.000 0.449 243 F N 0.974 120.742 119.950 -0.304 0.000 2.216 243 F HA -0.074 4.454 4.527 0.001 0.000 0.300 243 F C 2.466 178.049 175.800 -0.361 0.000 1.085 243 F CA 0.817 58.489 58.000 -0.546 0.000 1.326 243 F CB -1.472 36.773 39.000 -1.257 0.000 1.027 243 F HN 0.140 nan 8.300 nan 0.000 0.497 244 A N 0.045 122.903 122.820 0.064 0.000 1.902 244 A HA -0.035 4.284 4.320 -0.002 0.000 0.217 244 A C 2.505 180.145 177.584 0.093 0.000 1.181 244 A CA 1.852 54.015 52.037 0.210 0.000 0.623 244 A CB -1.170 17.942 19.000 0.188 0.000 0.818 244 A HN 0.267 nan 8.150 nan 0.000 0.443 245 A N -0.229 122.609 122.820 0.031 0.000 1.902 245 A HA 0.183 4.501 4.320 -0.002 0.000 0.217 245 A C 2.485 180.045 177.584 -0.041 0.000 1.181 245 A CA 2.055 54.084 52.037 -0.012 0.000 0.623 245 A CB -0.931 18.046 19.000 -0.037 0.000 0.818 245 A HN 1.002 nan 8.150 nan 0.000 0.443 246 A N -0.930 121.864 122.820 -0.043 0.000 1.873 246 A HA -0.188 4.131 4.320 -0.002 0.000 0.215 246 A C 2.192 179.723 177.584 -0.088 0.000 1.186 246 A CA 1.700 53.679 52.037 -0.097 0.000 0.616 246 A CB -0.631 18.311 19.000 -0.097 0.000 0.823 246 A HN 0.627 nan 8.150 nan 0.000 0.442 247 Q N -0.541 119.249 119.800 -0.018 0.000 2.112 247 Q HA -0.266 4.073 4.340 -0.002 0.000 0.206 247 Q C 2.161 178.164 176.000 0.005 0.000 0.987 247 Q CA 1.886 57.708 55.803 0.032 0.000 0.858 247 Q CB -0.185 28.665 28.738 0.188 0.000 0.905 247 Q HN 0.768 nan 8.270 nan 0.000 0.420 248 Q N -0.464 119.338 119.800 0.005 0.000 2.291 248 Q HA -0.132 4.206 4.340 -0.002 0.000 0.206 248 Q C 1.437 177.413 176.000 -0.040 0.000 0.976 248 Q CA 0.961 56.758 55.803 -0.008 0.000 0.875 248 Q CB 0.113 28.850 28.738 -0.002 0.000 0.927 248 Q HN 0.304 nan 8.270 nan 0.000 0.450 249 R N -1.086 119.358 120.500 -0.093 0.000 2.334 249 R HA 0.111 4.450 4.340 -0.002 0.000 0.216 249 R C 0.889 177.086 176.300 -0.172 0.000 0.905 249 R CA 0.478 56.486 56.100 -0.153 0.000 1.064 249 R CB 0.744 30.864 30.300 -0.300 0.000 1.046 249 R HN 0.311 nan 8.270 nan 0.000 0.508 250 G N 1.178 109.912 108.800 -0.111 0.000 2.143 250 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.249 250 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.249 250 G C 0.022 174.857 174.900 -0.108 0.000 0.981 250 G CA -0.261 44.791 45.100 -0.080 0.000 0.665 250 G HN 0.179 nan 8.290 nan 0.000 0.528 251 L N 2.539 123.658 121.223 -0.172 0.000 2.290 251 L HA 0.374 4.712 4.340 -0.002 0.000 0.284 251 L C -1.122 175.669 176.870 -0.130 0.000 1.078 251 L CA -1.939 52.803 54.840 -0.164 0.000 0.815 251 L CB 0.992 42.915 42.059 -0.227 0.000 1.162 251 L HN 0.016 nan 8.230 nan 0.000 0.435 252 P HA 0.146 nan 4.420 nan 0.000 0.272 252 P C -0.868 176.318 177.300 -0.191 0.000 1.230 252 P CA -0.206 62.820 63.100 -0.123 0.000 0.788 252 P CB 1.440 33.091 31.700 -0.081 0.000 0.949 253 V N -1.473 118.265 119.914 -0.294 0.000 2.960 253 V HA 0.859 4.977 4.120 -0.002 0.000 0.315 253 V C -0.409 175.472 176.094 -0.354 0.000 1.087 253 V CA -0.961 61.045 62.300 -0.490 0.000 0.982 253 V CB 1.960 33.041 31.823 -1.238 0.000 1.039 253 V HN 0.822 nan 8.190 nan 0.000 0.437 254 K N 2.018 122.277 120.400 -0.235 0.000 2.499 254 K HA 0.915 5.233 4.320 -0.002 0.000 0.277 254 K C -2.016 174.707 176.600 0.207 0.000 1.025 254 K CA -0.999 55.273 56.287 -0.025 0.000 0.900 254 K CB 2.432 34.923 32.500 -0.014 0.000 1.494 254 K HN 0.831 nan 8.250 nan 0.000 0.442 255 L N 0.637 122.015 121.223 0.258 0.000 2.545 255 L HA 0.350 4.689 4.340 -0.002 0.000 0.258 255 L C -1.936 175.162 176.870 0.380 0.000 0.942 255 L CA -0.239 54.845 54.840 0.407 0.000 0.855 255 L CB 2.078 44.426 42.059 0.481 0.000 1.374 255 L HN 0.783 nan 8.230 nan 0.000 0.411 256 H N 3.467 122.776 119.070 0.399 0.000 2.934 256 H HA 0.722 5.277 4.556 -0.003 0.000 0.273 256 H C -0.146 175.471 175.328 0.481 0.000 1.121 256 H CA 0.739 57.107 56.048 0.535 0.000 1.451 256 H CB 0.687 30.846 29.762 0.662 0.000 1.469 256 H HN 0.727 nan 8.280 nan 0.000 0.476 257 A N 2.548 125.636 122.820 0.448 0.000 2.401 257 A HA 0.514 4.833 4.320 -0.002 0.000 0.310 257 A C 0.050 177.803 177.584 0.281 0.000 1.075 257 A CA -0.964 51.264 52.037 0.317 0.000 0.746 257 A CB 0.893 20.037 19.000 0.239 0.000 1.277 257 A HN 0.765 nan 8.150 nan 0.000 0.425 258 E N 0.729 121.054 120.200 0.209 0.000 2.494 258 E HA -0.320 4.029 4.350 -0.002 0.000 0.249 258 E C 0.848 177.628 176.600 0.299 0.000 1.184 258 E CA 1.276 57.802 56.400 0.210 0.000 0.727 258 E CB -1.816 28.008 29.700 0.207 0.000 1.281 258 E HN 0.887 nan 8.360 nan 0.000 0.405 259 Q N 0.306 120.268 119.800 0.271 0.000 2.049 259 Q HA -0.062 4.277 4.340 -0.002 0.000 0.198 259 Q C 1.916 178.098 176.000 0.303 0.000 0.971 259 Q CA 1.288 57.243 55.803 0.252 0.000 0.833 259 Q CB 0.151 28.908 28.738 0.031 0.000 0.896 259 Q HN 0.564 nan 8.270 nan 0.000 0.434 260 L N 0.117 121.404 121.223 0.107 0.000 2.766 260 L HA 0.297 4.635 4.340 -0.002 0.000 0.242 260 L C 0.213 176.691 176.870 -0.652 0.000 1.136 260 L CA -0.119 54.677 54.840 -0.072 0.000 0.933 260 L CB 0.943 42.967 42.059 -0.058 0.000 1.241 260 L HN 0.130 nan 8.230 nan 0.000 0.522 261 S N -1.937 113.352 115.700 -0.685 0.000 2.645 261 S HA 0.231 4.700 4.470 -0.002 0.000 0.268 261 S C -1.371 173.068 174.600 -0.269 0.000 1.110 261 S CA -0.956 56.766 58.200 -0.798 0.000 0.823 261 S CB 1.536 64.477 63.200 -0.432 0.000 1.091 261 S HN 0.003 nan 8.310 nan 0.000 0.466 262 N N 0.682 119.304 118.700 -0.129 0.000 2.500 262 N HA 0.500 5.239 4.740 -0.002 0.000 0.236 262 N C 0.138 175.644 175.510 -0.007 0.000 1.022 262 N CA -0.729 52.338 53.050 0.028 0.000 0.935 262 N CB 0.038 38.581 38.487 0.093 0.000 1.147 262 N HN 0.668 nan 8.380 nan 0.000 0.512 263 L N 1.640 122.864 121.223 0.003 0.000 2.537 263 L HA 0.391 4.729 4.340 -0.002 0.000 0.224 263 L C 1.192 178.075 176.870 0.021 0.000 1.065 263 L CA 0.371 55.208 54.840 -0.005 0.000 0.860 263 L CB 0.235 42.278 42.059 -0.026 0.000 1.086 263 L HN 0.732 nan 8.230 nan 0.000 0.482 264 G N -0.521 108.306 108.800 0.046 0.000 2.164 264 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.154 264 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.154 264 G C 0.862 175.809 174.900 0.077 0.000 1.014 264 G CA -0.006 45.129 45.100 0.058 0.000 0.683 264 G HN 0.341 nan 8.290 nan 0.000 0.500 265 G N 0.896 109.747 108.800 0.085 0.000 2.418 265 G HA2 0.201 4.160 3.960 -0.002 0.000 0.217 265 G HA3 0.201 4.160 3.960 -0.002 0.000 0.217 265 G C 2.016 177.008 174.900 0.152 0.000 1.158 265 G CA 2.546 47.714 45.100 0.113 0.000 0.771 265 G HN 1.523 nan 8.290 nan 0.000 0.545 266 A N 0.890 123.793 122.820 0.139 0.000 1.883 266 A HA -0.087 4.231 4.320 -0.002 0.000 0.217 266 A C 2.159 179.822 177.584 0.131 0.000 1.186 266 A CA 2.011 54.129 52.037 0.135 0.000 0.624 266 A CB -0.473 18.591 19.000 0.107 0.000 0.822 266 A HN 0.455 nan 8.150 nan 0.000 0.444 267 E N -0.974 119.293 120.200 0.112 0.000 2.110 267 E HA -0.174 4.175 4.350 -0.002 0.000 0.193 267 E C 1.937 178.622 176.600 0.142 0.000 0.988 267 E CA 1.139 57.602 56.400 0.104 0.000 0.804 267 E CB -0.212 29.535 29.700 0.079 0.000 0.745 267 E HN 0.545 nan 8.360 nan 0.000 0.458 268 L N 0.763 122.090 121.223 0.174 0.000 2.056 268 L HA -0.094 4.245 4.340 -0.002 0.000 0.207 268 L C 2.183 179.292 176.870 0.399 0.000 1.078 268 L CA 1.917 56.912 54.840 0.258 0.000 0.749 268 L CB -0.482 41.700 42.059 0.205 0.000 0.901 268 L HN 0.004 nan 8.230 nan 0.000 0.433 269 A N -0.262 122.772 122.820 0.356 0.000 1.877 269 A HA -0.115 4.204 4.320 -0.002 0.000 0.216 269 A C 2.477 180.201 177.584 0.233 0.000 1.186 269 A CA 1.908 54.158 52.037 0.354 0.000 0.620 269 A CB -1.279 17.884 19.000 0.271 0.000 0.822 269 A HN 0.592 nan 8.150 nan 0.000 0.443 270 A N 0.526 123.448 122.820 0.170 0.000 1.883 270 A HA -0.163 4.155 4.320 -0.002 0.000 0.217 270 A C 2.509 180.152 177.584 0.100 0.000 1.186 270 A CA 2.702 54.804 52.037 0.109 0.000 0.624 270 A CB -1.234 17.814 19.000 0.081 0.000 0.822 270 A HN 1.162 nan 8.150 nan 0.000 0.444 271 S N -2.030 113.737 115.700 0.112 0.000 2.440 271 S HA -0.180 4.289 4.470 -0.002 0.000 0.238 271 S C 1.417 175.992 174.600 -0.042 0.000 1.010 271 S CA 1.498 59.714 58.200 0.027 0.000 0.972 271 S CB -0.642 62.565 63.200 0.012 0.000 0.774 271 S HN 0.571 nan 8.310 nan 0.000 0.501 272 Y N 1.796 122.128 120.300 0.053 0.000 2.485 272 Y HA 0.324 4.872 4.550 -0.004 0.000 0.260 272 Y C 0.370 176.242 175.900 -0.045 0.000 1.173 272 Y CA -0.799 57.307 58.100 0.009 0.000 1.252 272 Y CB -0.601 37.864 38.460 0.009 0.000 1.123 272 Y HN 0.232 nan 8.280 nan 0.000 0.524 273 N N -0.250 118.502 118.700 0.086 0.000 2.725 273 N HA -0.219 4.520 4.740 -0.002 0.000 0.251 273 N C -0.109 175.407 175.510 0.010 0.000 1.031 273 N CA 0.338 53.410 53.050 0.036 0.000 0.720 273 N CB -0.913 37.583 38.487 0.014 0.000 0.930 273 N HN 0.342 nan 8.380 nan 0.000 0.543 274 A N -0.236 122.588 122.820 0.006 0.000 2.466 274 A HA 0.241 4.559 4.320 -0.002 0.000 0.238 274 A C 1.515 179.077 177.584 -0.037 0.000 1.074 274 A CA -0.087 51.910 52.037 -0.067 0.000 0.774 274 A CB 0.280 19.237 19.000 -0.072 0.000 1.015 274 A HN 0.381 nan 8.150 nan 0.000 0.498 275 L N 0.803 121.991 121.223 -0.057 0.000 2.083 275 L HA -0.052 4.286 4.340 -0.002 0.000 0.209 275 L C 1.179 178.043 176.870 -0.009 0.000 1.083 275 L CA 1.682 56.504 54.840 -0.031 0.000 0.752 275 L CB -0.512 41.524 42.059 -0.039 0.000 0.899 275 L HN 0.949 nan 8.230 nan 0.000 0.433 276 S N -2.225 113.474 115.700 -0.002 0.000 2.611 276 S HA 0.724 5.193 4.470 -0.002 0.000 0.268 276 S C -1.120 173.513 174.600 0.055 0.000 1.156 276 S CA -0.523 57.691 58.200 0.022 0.000 0.817 276 S CB 1.978 65.188 63.200 0.018 0.000 1.122 276 S HN 0.055 nan 8.310 nan 0.000 0.466 277 A N 1.070 123.930 122.820 0.065 0.000 2.343 277 A HA 0.788 5.106 4.320 -0.002 0.000 0.308 277 A C -1.559 176.068 177.584 0.072 0.000 1.092 277 A CA -0.588 51.511 52.037 0.104 0.000 0.751 277 A CB 0.786 19.850 19.000 0.108 0.000 1.203 277 A HN 0.740 nan 8.150 nan 0.000 0.452 278 D N 0.825 121.274 120.400 0.081 0.000 2.342 278 D HA 0.688 5.327 4.640 -0.002 0.000 0.243 278 D C 0.601 176.934 176.300 0.055 0.000 1.019 278 D CA 0.212 54.192 54.000 -0.034 0.000 0.864 278 D CB 0.922 41.643 40.800 -0.132 0.000 1.315 278 D HN 0.594 nan 8.370 nan 0.000 0.468 279 H N 0.959 120.026 119.070 -0.006 0.000 4.692 279 H HA -0.210 4.346 4.556 -0.001 0.000 0.063 279 H C 0.799 176.153 175.328 0.043 0.000 0.623 279 H CA 0.945 57.028 56.048 0.058 0.000 0.906 279 H CB -0.961 28.902 29.762 0.169 0.000 0.412 279 H HN 0.463 nan 8.280 nan 0.000 0.813 280 L N 0.791 122.159 121.223 0.242 0.000 4.232 280 L HA -0.285 4.054 4.340 -0.002 0.000 0.415 280 L C 1.367 178.282 176.870 0.075 0.000 1.168 280 L CA 1.149 56.068 54.840 0.133 0.000 0.966 280 L CB -1.275 40.810 42.059 0.044 0.000 2.052 280 L HN 0.394 nan 8.230 nan 0.000 0.887 281 E N -0.222 120.053 120.200 0.125 0.000 2.097 281 E HA -0.177 4.172 4.350 -0.002 0.000 0.196 281 E C 1.397 177.898 176.600 -0.166 0.000 1.000 281 E CA 2.136 58.526 56.400 -0.016 0.000 0.804 281 E CB -0.135 29.612 29.700 0.078 0.000 0.740 281 E HN 0.709 nan 8.360 nan 0.000 0.454 282 Y N -0.546 119.789 120.300 0.057 0.000 2.493 282 Y HA 0.194 4.743 4.550 -0.003 0.000 0.275 282 Y C 0.319 176.238 175.900 0.031 0.000 1.183 282 Y CA -0.859 57.266 58.100 0.042 0.000 1.258 282 Y CB 0.233 38.718 38.460 0.042 0.000 1.108 282 Y HN -0.001 nan 8.280 nan 0.000 0.521 283 L N 2.419 123.712 121.223 0.116 0.000 2.525 283 L HA 0.047 4.385 4.340 -0.002 0.000 0.278 283 L C 0.062 176.961 176.870 0.048 0.000 1.218 283 L CA -0.070 54.818 54.840 0.079 0.000 0.878 283 L CB 0.200 42.286 42.059 0.046 0.000 1.127 283 L HN 0.248 nan 8.230 nan 0.000 0.492 284 D N 1.601 122.031 120.400 0.051 0.000 2.494 284 D HA 0.155 4.794 4.640 -0.002 0.000 0.259 284 D C 0.612 176.925 176.300 0.022 0.000 1.109 284 D CA -0.293 53.728 54.000 0.035 0.000 1.040 284 D CB 0.334 41.160 40.800 0.043 0.000 1.175 284 D HN 0.660 nan 8.370 nan 0.000 0.584 285 E N -0.760 119.449 120.200 0.015 0.000 2.118 285 E HA -0.218 4.130 4.350 -0.002 0.000 0.195 285 E C 1.256 177.865 176.600 0.015 0.000 0.992 285 E CA 1.564 57.970 56.400 0.010 0.000 0.804 285 E CB -0.099 29.605 29.700 0.008 0.000 0.741 285 E HN 0.523 nan 8.360 nan 0.000 0.458 286 T N -0.345 114.222 114.554 0.021 0.000 2.777 286 T HA -0.082 4.266 4.350 -0.002 0.000 0.266 286 T C 1.661 176.378 174.700 0.028 0.000 1.040 286 T CA 1.142 63.256 62.100 0.023 0.000 1.141 286 T CB -0.461 68.422 68.868 0.025 0.000 0.868 286 T HN 0.417 nan 8.240 nan 0.000 0.444 287 G N 0.988 109.809 108.800 0.035 0.000 2.408 287 G HA2 -0.001 3.958 3.960 -0.002 0.000 0.217 287 G HA3 -0.001 3.958 3.960 -0.002 0.000 0.217 287 G C 1.826 176.747 174.900 0.035 0.000 1.150 287 G CA 0.847 45.973 45.100 0.043 0.000 0.776 287 G HN 0.560 nan 8.290 nan 0.000 0.542 288 A N 1.065 123.899 122.820 0.024 0.000 1.877 288 A HA -0.036 4.283 4.320 -0.002 0.000 0.216 288 A C 2.303 179.895 177.584 0.014 0.000 1.186 288 A CA 2.000 54.045 52.037 0.013 0.000 0.620 288 A CB -0.381 18.620 19.000 0.001 0.000 0.822 288 A HN 0.377 nan 8.150 nan 0.000 0.443 289 K N -0.328 120.080 120.400 0.014 0.000 2.097 289 K HA -0.046 4.273 4.320 -0.002 0.000 0.206 289 K C 2.283 178.893 176.600 0.017 0.000 1.049 289 K CA 1.080 57.375 56.287 0.013 0.000 0.933 289 K CB -0.322 32.184 32.500 0.011 0.000 0.717 289 K HN 0.448 nan 8.250 nan 0.000 0.442 290 A N 1.479 124.314 122.820 0.024 0.000 1.902 290 A HA -0.120 4.199 4.320 -0.002 0.000 0.217 290 A C 2.124 179.728 177.584 0.032 0.000 1.181 290 A CA 1.184 53.239 52.037 0.030 0.000 0.623 290 A CB -0.591 18.433 19.000 0.040 0.000 0.818 290 A HN 0.139 nan 8.150 nan 0.000 0.443 291 L N -0.833 120.410 121.223 0.034 0.000 2.017 291 L HA -0.196 4.142 4.340 -0.002 0.000 0.208 291 L C 3.133 180.017 176.870 0.022 0.000 1.073 291 L CA 1.143 56.003 54.840 0.034 0.000 0.745 291 L CB -0.639 41.440 42.059 0.033 0.000 0.894 291 L HN 0.439 nan 8.230 nan 0.000 0.432 292 A N 0.109 122.938 122.820 0.016 0.000 1.877 292 A HA -0.261 4.057 4.320 -0.002 0.000 0.216 292 A C 2.300 179.890 177.584 0.010 0.000 1.186 292 A CA 2.022 54.065 52.037 0.010 0.000 0.620 292 A CB -0.438 18.566 19.000 0.006 0.000 0.822 292 A HN 0.214 nan 8.150 nan 0.000 0.443 293 K N 0.154 120.561 120.400 0.012 0.000 2.063 293 K HA -0.042 4.276 4.320 -0.002 0.000 0.208 293 K C 1.806 178.412 176.600 0.010 0.000 1.048 293 K CA 1.742 58.035 56.287 0.010 0.000 0.928 293 K CB -0.508 31.998 32.500 0.011 0.000 0.713 293 K HN 0.365 nan 8.250 nan 0.000 0.442 294 A N -1.004 121.825 122.820 0.015 0.000 2.169 294 A HA 0.257 4.576 4.320 -0.002 0.000 0.212 294 A C 1.382 178.974 177.584 0.012 0.000 1.153 294 A CA 0.901 52.947 52.037 0.015 0.000 0.756 294 A CB -0.491 18.524 19.000 0.026 0.000 0.813 294 A HN 0.524 nan 8.150 nan 0.000 0.471 295 G N -1.076 107.731 108.800 0.011 0.000 2.147 295 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.244 295 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.244 295 G C 0.254 175.160 174.900 0.010 0.000 1.005 295 G CA 0.413 45.518 45.100 0.008 0.000 0.713 295 G HN 0.599 nan 8.290 nan 0.000 0.515 296 T N 0.928 115.492 114.554 0.016 0.000 2.780 296 T HA 0.478 4.827 4.350 -0.002 0.000 0.294 296 T C 0.833 175.543 174.700 0.016 0.000 0.949 296 T CA -0.294 61.817 62.100 0.019 0.000 1.074 296 T CB 2.099 70.988 68.868 0.034 0.000 0.910 296 T HN 0.422 nan 8.240 nan 0.000 0.501 297 V N 3.006 122.927 119.914 0.012 0.000 2.637 297 V HA 0.388 4.506 4.120 -0.002 0.000 0.296 297 V C 0.740 176.840 176.094 0.010 0.000 1.046 297 V CA -0.786 61.519 62.300 0.008 0.000 1.066 297 V CB 0.651 32.477 31.823 0.006 0.000 0.968 297 V HN 1.043 nan 8.190 nan 0.000 0.483 298 A N 5.559 128.379 122.820 0.001 0.000 2.316 298 A HA 0.578 4.896 4.320 -0.002 0.000 0.311 298 A C -0.324 177.248 177.584 -0.021 0.000 1.339 298 A CA -0.349 51.684 52.037 -0.006 0.000 0.960 298 A CB 0.138 19.128 19.000 -0.017 0.000 1.152 298 A HN 0.667 nan 8.150 nan 0.000 0.547 299 V N 5.267 125.166 119.914 -0.026 0.000 2.368 299 V HA 0.212 4.331 4.120 -0.002 0.000 0.266 299 V C 0.177 176.216 176.094 -0.091 0.000 1.045 299 V CA -0.090 62.179 62.300 -0.052 0.000 0.899 299 V CB 0.605 32.396 31.823 -0.054 0.000 1.006 299 V HN 0.731 nan 8.190 nan 0.000 0.470 300 L N 6.268 127.454 121.223 -0.061 0.000 2.334 300 L HA 0.550 4.889 4.340 -0.002 0.000 0.277 300 L C -0.368 176.517 176.870 0.025 0.000 1.075 300 L CA -0.470 54.348 54.840 -0.036 0.000 0.804 300 L CB 1.287 43.325 42.059 -0.035 0.000 1.174 300 L HN 0.483 nan 8.230 nan 0.000 0.438 301 L N 5.074 126.344 121.223 0.078 0.000 2.457 301 L HA 0.277 4.615 4.340 -0.002 0.000 0.252 301 L C -1.499 175.540 176.870 0.281 0.000 1.132 301 L CA -1.231 53.644 54.840 0.059 0.000 0.938 301 L CB 1.257 43.181 42.059 -0.225 0.000 1.246 301 L HN 0.407 nan 8.230 nan 0.000 0.476 302 P HA -0.160 nan 4.420 nan 0.000 0.219 302 P C 1.457 178.852 177.300 0.158 0.000 1.146 302 P CA 1.287 64.394 63.100 0.011 0.000 0.808 302 P CB 0.453 31.931 31.700 -0.369 0.000 0.779 303 G N 0.903 109.791 108.800 0.147 0.000 2.433 303 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.216 303 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.216 303 G C 1.858 176.936 174.900 0.297 0.000 1.186 303 G CA 1.180 46.394 45.100 0.190 0.000 0.779 303 G HN 0.371 nan 8.290 nan 0.000 0.543 304 A N 0.209 123.207 122.820 0.296 0.000 1.898 304 A HA 0.106 4.425 4.320 -0.002 0.000 0.216 304 A C 2.178 179.940 177.584 0.298 0.000 1.181 304 A CA 1.530 53.741 52.037 0.290 0.000 0.620 304 A CB -0.556 18.662 19.000 0.363 0.000 0.819 304 A HN 0.406 nan 8.150 nan 0.000 0.442 305 F N -0.563 119.539 119.950 0.253 0.000 2.095 305 F HA -0.251 4.275 4.527 -0.002 0.000 0.298 305 F C 2.149 178.063 175.800 0.189 0.000 1.104 305 F CA 2.202 60.351 58.000 0.249 0.000 1.232 305 F CB -0.549 38.675 39.000 0.374 0.000 0.987 305 F HN 0.406 nan 8.300 nan 0.000 0.475 306 Y N 0.811 121.234 120.300 0.205 0.000 2.089 306 Y HA -0.141 4.407 4.550 -0.002 0.000 0.282 306 Y C 2.355 178.261 175.900 0.010 0.000 1.139 306 Y CA 1.861 60.008 58.100 0.078 0.000 1.123 306 Y CB -1.138 37.379 38.460 0.094 0.000 0.980 306 Y HN 0.069 nan 8.280 nan 0.000 0.493 307 A N 0.503 123.314 122.820 -0.015 0.000 1.902 307 A HA -0.120 4.198 4.320 -0.002 0.000 0.217 307 A C 2.186 179.698 177.584 -0.121 0.000 1.181 307 A CA 1.778 53.739 52.037 -0.127 0.000 0.623 307 A CB -1.160 17.894 19.000 0.090 0.000 0.818 307 A HN 0.569 nan 8.150 nan 0.000 0.443 308 L N -1.699 119.480 121.223 -0.072 0.000 2.552 308 L HA 0.010 4.349 4.340 -0.002 0.000 0.227 308 L C 0.517 177.291 176.870 -0.159 0.000 1.146 308 L CA -0.016 54.774 54.840 -0.084 0.000 0.858 308 L CB -0.171 41.869 42.059 -0.032 0.000 0.969 308 L HN 0.322 nan 8.230 nan 0.000 0.451 309 R N 0.423 120.776 120.500 -0.245 0.000 3.651 309 R HA -0.172 4.167 4.340 -0.002 0.000 0.292 309 R C 0.292 176.404 176.300 -0.314 0.000 1.161 309 R CA 0.436 56.372 56.100 -0.272 0.000 0.787 309 R CB -2.179 28.006 30.300 -0.192 0.000 1.249 309 R HN 0.376 nan 8.270 nan 0.000 0.476 310 E N 1.008 120.921 120.200 -0.478 0.000 2.413 310 E HA 0.056 4.405 4.350 -0.002 0.000 0.263 310 E C 0.789 177.098 176.600 -0.484 0.000 1.015 310 E CA 0.362 56.491 56.400 -0.451 0.000 0.916 310 E CB 0.756 30.185 29.700 -0.452 0.000 0.947 310 E HN -0.070 nan 8.360 nan 0.000 0.440 311 K N 1.832 122.145 120.400 -0.146 0.000 2.335 311 K HA 0.091 4.410 4.320 -0.002 0.000 0.195 311 K C -0.214 176.448 176.600 0.105 0.000 1.058 311 K CA 0.255 56.534 56.287 -0.013 0.000 0.988 311 K CB 0.196 32.697 32.500 0.001 0.000 0.880 311 K HN 0.416 nan 8.250 nan 0.000 0.513 312 Q N 1.433 121.270 119.800 0.063 0.000 2.323 312 Q HA 0.245 4.584 4.340 -0.002 0.000 0.257 312 Q C -0.896 175.187 176.000 0.137 0.000 1.022 312 Q CA 0.199 55.968 55.803 -0.058 0.000 0.919 312 Q CB 0.232 28.627 28.738 -0.571 0.000 1.220 312 Q HN 0.087 nan 8.270 nan 0.000 0.427 313 L N 7.309 128.584 121.223 0.087 0.000 2.395 313 L HA 0.488 4.827 4.340 -0.002 0.000 0.269 313 L C -1.790 174.943 176.870 -0.229 0.000 1.133 313 L CA -2.019 52.791 54.840 -0.049 0.000 0.812 313 L CB 0.875 42.908 42.059 -0.045 0.000 1.125 313 L HN 0.658 nan 8.230 nan 0.000 0.452 314 P HA 0.091 nan 4.420 nan 0.000 0.272 314 P C -2.518 174.614 177.300 -0.280 0.000 1.223 314 P CA -1.465 61.411 63.100 -0.372 0.000 0.784 314 P CB -0.066 31.290 31.700 -0.574 0.000 0.923 315 P HA 0.039 nan 4.420 nan 0.000 0.230 315 P C 1.131 178.361 177.300 -0.117 0.000 1.791 315 P CA -0.097 62.930 63.100 -0.121 0.000 1.020 315 P CB -0.264 31.391 31.700 -0.074 0.000 1.977 316 V N 1.504 121.331 119.914 -0.144 0.000 2.282 316 V HA -0.271 3.847 4.120 -0.002 0.000 0.249 316 V C 2.778 178.832 176.094 -0.066 0.000 1.057 316 V CA 2.053 64.286 62.300 -0.113 0.000 1.032 316 V CB -1.134 30.627 31.823 -0.103 0.000 0.645 316 V HN 0.318 nan 8.190 nan 0.000 0.447 317 Q N 0.226 119.995 119.800 -0.053 0.000 2.119 317 Q HA -0.083 4.256 4.340 -0.002 0.000 0.201 317 Q C 2.140 178.121 176.000 -0.030 0.000 0.972 317 Q CA 1.938 57.720 55.803 -0.035 0.000 0.847 317 Q CB -0.631 28.091 28.738 -0.027 0.000 0.903 317 Q HN 0.625 nan 8.270 nan 0.000 0.433 318 A N -0.138 122.661 122.820 -0.034 0.000 1.898 318 A HA -0.116 4.202 4.320 -0.002 0.000 0.216 318 A C 2.072 179.642 177.584 -0.024 0.000 1.181 318 A CA 1.258 53.279 52.037 -0.025 0.000 0.620 318 A CB -0.685 18.300 19.000 -0.025 0.000 0.819 318 A HN 0.432 nan 8.150 nan 0.000 0.442 319 L N -1.140 120.063 121.223 -0.034 0.000 2.017 319 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 319 L C 2.887 179.744 176.870 -0.023 0.000 1.073 319 L CA 1.548 56.370 54.840 -0.030 0.000 0.745 319 L CB -0.487 41.546 42.059 -0.044 0.000 0.894 319 L HN 0.347 nan 8.230 nan 0.000 0.432 320 R N 0.006 120.490 120.500 -0.025 0.000 2.080 320 R HA -0.177 4.162 4.340 -0.002 0.000 0.236 320 R C 1.978 178.270 176.300 -0.014 0.000 1.137 320 R CA 1.797 57.885 56.100 -0.019 0.000 0.943 320 R CB -0.451 29.837 30.300 -0.020 0.000 0.846 320 R HN 0.354 nan 8.270 nan 0.000 0.431 321 D N 0.328 120.720 120.400 -0.014 0.000 2.144 321 D HA -0.128 4.511 4.640 -0.002 0.000 0.199 321 D C 1.632 177.928 176.300 -0.007 0.000 0.984 321 D CA 1.495 55.490 54.000 -0.009 0.000 0.834 321 D CB -0.185 40.610 40.800 -0.009 0.000 0.955 321 D HN 0.298 nan 8.370 nan 0.000 0.465 322 A N -0.229 122.586 122.820 -0.007 0.000 2.119 322 A HA 0.327 4.646 4.320 -0.002 0.000 0.216 322 A C 1.822 179.405 177.584 -0.003 0.000 1.152 322 A CA 1.332 53.367 52.037 -0.003 0.000 0.708 322 A CB -0.235 18.764 19.000 -0.002 0.000 0.805 322 A HN 0.284 nan 8.150 nan 0.000 0.460 323 G N -1.960 106.837 108.800 -0.005 0.000 2.137 323 G HA2 0.123 4.082 3.960 -0.002 0.000 0.237 323 G HA3 0.123 4.082 3.960 -0.002 0.000 0.237 323 G C 0.348 175.246 174.900 -0.004 0.000 1.002 323 G CA 0.338 45.435 45.100 -0.004 0.000 0.702 323 G HN 1.519 nan 8.290 nan 0.000 0.515 324 A N -0.298 122.518 122.820 -0.006 0.000 2.351 324 A HA 0.642 4.961 4.320 -0.002 0.000 0.257 324 A C 0.435 178.015 177.584 -0.007 0.000 1.087 324 A CA 0.069 52.103 52.037 -0.004 0.000 0.798 324 A CB 0.396 19.393 19.000 -0.006 0.000 1.033 324 A HN 0.519 nan 8.150 nan 0.000 0.488 325 E N 1.028 121.226 120.200 -0.005 0.000 2.174 325 E HA 0.444 4.793 4.350 -0.002 0.000 0.282 325 E C -1.007 175.588 176.600 -0.008 0.000 0.992 325 E CA -0.082 56.315 56.400 -0.005 0.000 0.803 325 E CB 1.378 31.077 29.700 -0.001 0.000 1.090 325 E HN 0.544 nan 8.360 nan 0.000 0.396 326 I N 2.318 122.882 120.570 -0.011 0.000 2.392 326 I HA 0.490 4.658 4.170 -0.002 0.000 0.295 326 I C 0.051 176.163 176.117 -0.007 0.000 0.985 326 I CA -0.576 60.715 61.300 -0.015 0.000 1.221 326 I CB 1.519 39.506 38.000 -0.022 0.000 1.366 326 I HN 0.515 nan 8.210 nan 0.000 0.467 327 A N 7.016 129.832 122.820 -0.007 0.000 2.386 327 A HA 0.949 5.267 4.320 -0.002 0.000 0.308 327 A C -1.053 176.532 177.584 0.003 0.000 1.128 327 A CA -0.613 51.424 52.037 0.000 0.000 0.789 327 A CB 1.549 20.550 19.000 0.002 0.000 1.325 327 A HN 0.665 nan 8.150 nan 0.000 0.437 328 L N 0.178 121.407 121.223 0.009 0.000 2.410 328 L HA 0.761 5.099 4.340 -0.002 0.000 0.270 328 L C 0.030 176.906 176.870 0.009 0.000 0.983 328 L CA -0.425 54.424 54.840 0.014 0.000 0.822 328 L CB 2.082 44.154 42.059 0.020 0.000 1.285 328 L HN 0.968 nan 8.230 nan 0.000 0.409 329 A N 0.503 123.321 122.820 -0.003 0.000 2.564 329 A HA 0.654 4.972 4.320 -0.002 0.000 0.288 329 A C 0.465 178.058 177.584 0.015 0.000 1.164 329 A CA 0.169 52.214 52.037 0.013 0.000 0.712 329 A CB 1.555 20.574 19.000 0.031 0.000 1.303 329 A HN 0.759 nan 8.150 nan 0.000 0.418 330 T N -2.782 111.803 114.554 0.051 0.000 3.014 330 T HA 0.094 4.443 4.350 -0.002 0.000 0.263 330 T C 0.613 175.377 174.700 0.106 0.000 1.078 330 T CA 1.452 63.594 62.100 0.070 0.000 1.135 330 T CB -0.291 68.627 68.868 0.085 0.000 0.895 330 T HN 1.148 nan 8.240 nan 0.000 0.480 331 D N -0.064 120.426 120.400 0.151 0.000 2.911 331 D HA -0.196 4.443 4.640 -0.002 0.000 0.227 331 D C 0.064 176.554 176.300 0.316 0.000 1.164 331 D CA 0.560 54.729 54.000 0.283 0.000 0.782 331 D CB -2.268 38.592 40.800 0.099 0.000 1.094 331 D HN 0.728 nan 8.370 nan 0.000 0.425 332 C N 1.950 121.406 119.300 0.260 0.000 2.409 332 C HA 0.302 4.760 4.460 -0.002 0.000 0.399 332 C C 0.575 175.760 174.990 0.324 0.000 1.505 332 C CA 0.660 59.826 59.018 0.247 0.000 1.435 332 C CB -2.135 25.736 27.740 0.219 0.000 2.462 332 C HN 0.588 nan 8.230 nan 0.000 0.619 333 N N 4.409 123.228 118.700 0.199 0.000 2.825 333 N HA 0.590 5.329 4.740 -0.002 0.000 0.253 333 N C -2.431 172.912 175.510 -0.278 0.000 1.426 333 N CA -1.327 51.744 53.050 0.035 0.000 0.851 333 N CB 1.214 39.709 38.487 0.014 0.000 1.470 333 N HN 0.200 nan 8.380 nan 0.000 0.517 334 P HA 0.106 nan 4.420 nan 0.000 0.224 334 P C 0.681 177.785 177.300 -0.327 0.000 1.157 334 P CA 1.171 63.843 63.100 -0.712 0.000 0.799 334 P CB 0.132 31.087 31.700 -1.242 0.000 0.809 335 G N -0.501 108.151 108.800 -0.247 0.000 2.784 335 G HA2 0.005 3.963 3.960 -0.002 0.000 0.208 335 G HA3 0.005 3.963 3.960 -0.002 0.000 0.208 335 G C 1.207 176.086 174.900 -0.035 0.000 1.120 335 G CA 0.903 45.931 45.100 -0.119 0.000 0.774 335 G HN 0.415 nan 8.290 nan 0.000 0.528 336 T N -4.234 110.310 114.554 -0.016 0.000 3.016 336 T HA 0.391 4.739 4.350 -0.002 0.000 0.271 336 T C 0.605 175.359 174.700 0.090 0.000 0.968 336 T CA 0.660 62.785 62.100 0.043 0.000 0.891 336 T CB 0.707 69.606 68.868 0.051 0.000 1.149 336 T HN 0.146 nan 8.240 nan 0.000 0.524 337 S N 2.857 118.604 115.700 0.078 0.000 2.787 337 S HA 0.339 4.808 4.470 -0.002 0.000 0.140 337 S C -3.076 171.580 174.600 0.094 0.000 1.240 337 S CA -0.715 57.557 58.200 0.120 0.000 1.163 337 S CB 1.035 64.333 63.200 0.163 0.000 1.652 337 S HN 0.138 nan 8.310 nan 0.000 0.443 338 P HA 0.221 nan 4.420 nan 0.000 0.231 338 P C -0.393 176.949 177.300 0.069 0.000 1.756 338 P CA -0.259 62.871 63.100 0.049 0.000 0.990 338 P CB -0.229 31.462 31.700 -0.014 0.000 1.973 339 L N 2.295 123.573 121.223 0.092 0.000 2.282 339 L HA 0.436 4.775 4.340 -0.002 0.000 0.288 339 L C 0.737 177.652 176.870 0.076 0.000 1.033 339 L CA 0.225 55.108 54.840 0.072 0.000 0.807 339 L CB 1.394 43.495 42.059 0.069 0.000 1.209 339 L HN -0.020 nan 8.230 nan 0.000 0.423 340 T N -0.473 114.112 114.554 0.053 0.000 3.252 340 T HA 0.295 4.644 4.350 -0.002 0.000 0.286 340 T C 0.302 175.021 174.700 0.032 0.000 1.013 340 T CA -0.100 62.030 62.100 0.050 0.000 0.914 340 T CB -0.269 68.625 68.868 0.044 0.000 1.131 340 T HN 0.491 nan 8.240 nan 0.000 0.529 341 S N 0.953 116.667 115.700 0.023 0.000 2.659 341 S HA 0.524 4.993 4.470 -0.002 0.000 0.312 341 S C 0.384 174.992 174.600 0.014 0.000 1.114 341 S CA -0.795 57.415 58.200 0.016 0.000 1.063 341 S CB 1.272 64.472 63.200 0.000 0.000 0.996 341 S HN 0.242 nan 8.310 nan 0.000 0.478 342 L N 5.900 127.140 121.223 0.029 0.000 2.270 342 L HA 0.353 4.691 4.340 -0.002 0.000 0.210 342 L C 1.707 178.581 176.870 0.006 0.000 1.104 342 L CA 1.376 56.231 54.840 0.025 0.000 0.804 342 L CB -0.418 41.669 42.059 0.046 0.000 0.937 342 L HN 0.817 nan 8.230 nan 0.000 0.450 343 L N -1.499 119.732 121.223 0.013 0.000 2.056 343 L HA -0.196 4.142 4.340 -0.002 0.000 0.207 343 L C 2.363 179.208 176.870 -0.042 0.000 1.078 343 L CA 0.864 55.693 54.840 -0.018 0.000 0.749 343 L CB -0.607 41.459 42.059 0.011 0.000 0.901 343 L HN 0.302 nan 8.230 nan 0.000 0.433 344 L N -0.582 120.618 121.223 -0.038 0.000 2.083 344 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 344 L C 2.420 179.235 176.870 -0.093 0.000 1.083 344 L CA 1.957 56.754 54.840 -0.072 0.000 0.752 344 L CB -0.758 41.256 42.059 -0.075 0.000 0.899 344 L HN 0.136 nan 8.230 nan 0.000 0.433 345 T N -0.342 114.172 114.554 -0.066 0.000 2.720 345 T HA -0.245 4.104 4.350 -0.002 0.000 0.268 345 T C 1.919 176.572 174.700 -0.079 0.000 1.037 345 T CA 2.157 64.217 62.100 -0.067 0.000 1.144 345 T CB -0.231 68.621 68.868 -0.026 0.000 0.864 345 T HN 0.336 nan 8.240 nan 0.000 0.444 346 M N 1.194 120.755 119.600 -0.066 0.000 2.117 346 M HA -0.086 4.393 4.480 -0.002 0.000 0.262 346 M C 2.479 178.726 176.300 -0.087 0.000 1.065 346 M CA 1.171 56.429 55.300 -0.070 0.000 1.114 346 M CB -0.530 32.025 32.600 -0.075 0.000 1.361 346 M HN 0.271 nan 8.290 nan 0.000 0.408 347 N N 0.815 119.456 118.700 -0.097 0.000 2.223 347 N HA -0.141 4.597 4.740 -0.002 0.000 0.185 347 N C 1.531 176.961 175.510 -0.134 0.000 1.016 347 N CA 1.299 54.286 53.050 -0.105 0.000 0.863 347 N CB 0.022 38.443 38.487 -0.111 0.000 0.983 347 N HN 0.402 nan 8.380 nan 0.000 0.429 348 M N -0.293 119.204 119.600 -0.171 0.000 2.236 348 M HA 0.028 4.507 4.480 -0.002 0.000 0.266 348 M C 2.341 178.447 176.300 -0.324 0.000 1.070 348 M CA 1.177 56.327 55.300 -0.250 0.000 1.137 348 M CB -0.334 32.096 32.600 -0.282 0.000 1.378 348 M HN 0.130 nan 8.290 nan 0.000 0.426 349 G N 0.360 109.026 108.800 -0.224 0.000 2.418 349 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.217 349 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.217 349 G C 1.622 176.477 174.900 -0.076 0.000 1.158 349 G CA 1.085 46.103 45.100 -0.136 0.000 0.771 349 G HN 0.518 nan 8.290 nan 0.000 0.545 350 A N 0.081 122.854 122.820 -0.078 0.000 1.874 350 A HA 0.093 4.412 4.320 -0.002 0.000 0.214 350 A C 2.543 180.094 177.584 -0.055 0.000 1.189 350 A CA 2.264 54.274 52.037 -0.046 0.000 0.615 350 A CB -0.795 18.180 19.000 -0.042 0.000 0.830 350 A HN 0.269 nan 8.150 nan 0.000 0.443 351 T N 0.589 115.090 114.554 -0.088 0.000 2.737 351 T HA -0.044 4.304 4.350 -0.002 0.000 0.265 351 T C 1.818 176.471 174.700 -0.079 0.000 1.038 351 T CA 1.584 63.640 62.100 -0.073 0.000 1.144 351 T CB -0.323 68.496 68.868 -0.082 0.000 0.866 351 T HN 0.327 nan 8.240 nan 0.000 0.434 352 L N -0.885 120.226 121.223 -0.186 0.000 2.202 352 L HA 0.184 4.522 4.340 -0.002 0.000 0.205 352 L C 1.777 178.567 176.870 -0.134 0.000 1.083 352 L CA 0.834 55.539 54.840 -0.224 0.000 0.790 352 L CB -0.212 41.576 42.059 -0.452 0.000 0.942 352 L HN 0.189 nan 8.230 nan 0.000 0.452 353 F N -0.153 119.701 119.950 -0.161 0.000 2.695 353 F HA 0.238 4.763 4.527 -0.003 0.000 0.303 353 F C 0.892 176.626 175.800 -0.110 0.000 1.091 353 F CA -0.755 57.135 58.000 -0.183 0.000 1.300 353 F CB -0.371 38.507 39.000 -0.203 0.000 1.071 353 F HN -0.030 nan 8.300 nan 0.000 0.578 354 R N -0.401 120.147 120.500 0.080 0.000 3.531 354 R HA -0.214 4.125 4.340 -0.002 0.000 0.280 354 R C -0.188 176.129 176.300 0.029 0.000 1.130 354 R CA 0.288 56.410 56.100 0.036 0.000 0.757 354 R CB -2.387 27.930 30.300 0.029 0.000 1.218 354 R HN 0.284 nan 8.270 nan 0.000 0.454 355 M N 0.696 120.319 119.600 0.039 0.000 2.250 355 M HA 0.099 4.578 4.480 -0.002 0.000 0.344 355 M C 1.446 177.743 176.300 -0.004 0.000 1.150 355 M CA 0.216 55.528 55.300 0.020 0.000 1.147 355 M CB 1.030 33.651 32.600 0.035 0.000 1.498 355 M HN 0.176 nan 8.290 nan 0.000 0.461 356 T N -0.718 113.828 114.554 -0.013 0.000 2.813 356 T HA 0.167 4.516 4.350 -0.002 0.000 0.297 356 T C 1.164 175.841 174.700 -0.037 0.000 1.036 356 T CA -1.024 61.061 62.100 -0.025 0.000 1.044 356 T CB 0.699 69.551 68.868 -0.027 0.000 0.993 356 T HN 0.432 nan 8.240 nan 0.000 0.535 357 V N 1.121 121.005 119.914 -0.051 0.000 2.332 357 V HA -0.164 3.954 4.120 -0.002 0.000 0.248 357 V C 2.844 178.892 176.094 -0.075 0.000 1.055 357 V CA 2.435 64.692 62.300 -0.072 0.000 1.038 357 V CB -1.087 30.680 31.823 -0.093 0.000 0.651 357 V HN 1.089 nan 8.190 nan 0.000 0.450 358 E N 0.189 120.350 120.200 -0.065 0.000 2.058 358 E HA -0.278 4.070 4.350 -0.002 0.000 0.194 358 E C 2.140 178.715 176.600 -0.042 0.000 0.997 358 E CA 1.812 58.178 56.400 -0.057 0.000 0.801 358 E CB -0.129 29.545 29.700 -0.043 0.000 0.746 358 E HN 0.738 nan 8.360 nan 0.000 0.450 359 E N -0.160 120.020 120.200 -0.033 0.000 2.077 359 E HA -0.189 4.160 4.350 -0.002 0.000 0.193 359 E C 2.349 178.935 176.600 -0.023 0.000 0.989 359 E CA 1.307 57.693 56.400 -0.023 0.000 0.800 359 E CB -0.160 29.530 29.700 -0.015 0.000 0.746 359 E HN 0.397 nan 8.360 nan 0.000 0.452 360 C N 0.801 120.082 119.300 -0.032 0.000 2.429 360 C HA -0.094 4.365 4.460 -0.002 0.000 0.277 360 C C 2.615 177.579 174.990 -0.044 0.000 1.262 360 C CA 0.428 59.424 59.018 -0.036 0.000 1.733 360 C CB -0.881 26.829 27.740 -0.050 0.000 2.010 360 C HN 0.385 nan 8.230 nan 0.000 0.483 361 L N 0.241 121.428 121.223 -0.061 0.000 2.093 361 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 361 L C 2.654 179.508 176.870 -0.027 0.000 1.085 361 L CA 1.593 56.395 54.840 -0.064 0.000 0.755 361 L CB -1.007 40.996 42.059 -0.093 0.000 0.904 361 L HN 0.346 nan 8.230 nan 0.000 0.435 362 T N -0.180 114.361 114.554 -0.021 0.000 2.867 362 T HA -0.073 4.276 4.350 -0.002 0.000 0.268 362 T C 1.945 176.645 174.700 0.001 0.000 1.057 362 T CA 1.061 63.158 62.100 -0.006 0.000 1.136 362 T CB -0.121 68.743 68.868 -0.008 0.000 0.874 362 T HN 0.411 nan 8.240 nan 0.000 0.466 363 A N 1.711 124.529 122.820 -0.003 0.000 2.067 363 A HA -0.040 4.279 4.320 -0.002 0.000 0.219 363 A C 2.338 179.928 177.584 0.010 0.000 1.158 363 A CA 1.678 53.717 52.037 0.003 0.000 0.661 363 A CB -0.678 18.324 19.000 0.002 0.000 0.801 363 A HN 0.584 nan 8.150 nan 0.000 0.452 364 T N -4.386 110.176 114.554 0.012 0.000 3.085 364 T HA 0.242 4.591 4.350 -0.002 0.000 0.264 364 T C 0.934 175.661 174.700 0.045 0.000 1.019 364 T CA 0.913 63.029 62.100 0.027 0.000 0.910 364 T CB 0.017 68.900 68.868 0.024 0.000 1.059 364 T HN 0.504 nan 8.240 nan 0.000 0.542 365 T N -0.679 113.899 114.554 0.040 0.000 3.349 365 T HA 0.322 4.671 4.350 -0.002 0.000 0.169 365 T C 1.659 176.384 174.700 0.041 0.000 0.938 365 T CA -0.172 61.960 62.100 0.054 0.000 1.017 365 T CB 0.263 69.170 68.868 0.065 0.000 1.476 365 T HN 0.099 nan 8.240 nan 0.000 0.327 366 R N 1.280 121.800 120.500 0.033 0.000 2.080 366 R HA -0.059 4.280 4.340 -0.002 0.000 0.236 366 R C 2.125 178.436 176.300 0.019 0.000 1.137 366 R CA 2.153 58.268 56.100 0.025 0.000 0.943 366 R CB -0.461 29.850 30.300 0.018 0.000 0.846 366 R HN 0.384 nan 8.270 nan 0.000 0.431 367 N N 0.221 118.930 118.700 0.015 0.000 2.309 367 N HA -0.093 4.645 4.740 -0.002 0.000 0.182 367 N C 1.424 176.942 175.510 0.014 0.000 1.018 367 N CA 1.266 54.323 53.050 0.011 0.000 0.876 367 N CB -0.253 38.237 38.487 0.006 0.000 0.972 367 N HN 0.333 nan 8.380 nan 0.000 0.434 368 A N 0.819 123.651 122.820 0.020 0.000 1.930 368 A HA 0.095 4.413 4.320 -0.002 0.000 0.217 368 A C 2.327 179.926 177.584 0.024 0.000 1.175 368 A CA 1.666 53.716 52.037 0.023 0.000 0.627 368 A CB -0.690 18.329 19.000 0.031 0.000 0.815 368 A HN 0.286 nan 8.150 nan 0.000 0.443 369 A N -0.101 122.735 122.820 0.027 0.000 1.898 369 A HA -0.150 4.169 4.320 -0.002 0.000 0.216 369 A C 2.126 179.721 177.584 0.017 0.000 1.181 369 A CA 1.941 53.994 52.037 0.026 0.000 0.620 369 A CB -0.449 18.569 19.000 0.031 0.000 0.819 369 A HN 0.537 nan 8.150 nan 0.000 0.442 370 K N -0.201 120.207 120.400 0.014 0.000 2.097 370 K HA -0.072 4.246 4.320 -0.002 0.000 0.206 370 K C 1.972 178.575 176.600 0.005 0.000 1.049 370 K CA 1.167 57.459 56.287 0.009 0.000 0.933 370 K CB -0.319 32.186 32.500 0.007 0.000 0.717 370 K HN 0.359 nan 8.250 nan 0.000 0.442 371 A N 0.651 123.475 122.820 0.007 0.000 2.125 371 A HA -0.061 4.258 4.320 -0.002 0.000 0.219 371 A C 1.724 179.307 177.584 -0.002 0.000 1.156 371 A CA 1.030 53.069 52.037 0.004 0.000 0.671 371 A CB -0.250 18.755 19.000 0.009 0.000 0.794 371 A HN 0.347 nan 8.150 nan 0.000 0.459 372 L N -2.034 119.189 121.223 0.001 0.000 2.664 372 L HA 0.267 4.605 4.340 -0.002 0.000 0.233 372 L C 1.458 178.326 176.870 -0.003 0.000 1.113 372 L CA 0.440 55.278 54.840 -0.003 0.000 0.896 372 L CB 0.114 42.175 42.059 0.005 0.000 1.163 372 L HN 0.512 nan 8.230 nan 0.000 0.497 373 G N 1.056 109.855 108.800 -0.001 0.000 2.160 373 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.244 373 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.244 373 G C 0.434 175.337 174.900 0.005 0.000 1.022 373 G CA 0.212 45.312 45.100 -0.001 0.000 0.741 373 G HN 0.334 nan 8.290 nan 0.000 0.508 374 L N -0.775 120.454 121.223 0.010 0.000 2.959 374 L HA 0.328 4.666 4.340 -0.002 0.000 0.259 374 L C 2.315 179.195 176.870 0.017 0.000 1.185 374 L CA -0.343 54.506 54.840 0.015 0.000 0.998 374 L CB 0.174 42.247 42.059 0.023 0.000 1.337 374 L HN 0.240 nan 8.230 nan 0.000 0.555 375 L N 1.370 122.601 121.223 0.014 0.000 2.043 375 L HA -0.172 4.166 4.340 -0.002 0.000 0.212 375 L C 2.569 179.446 176.870 0.012 0.000 1.075 375 L CA 2.271 57.119 54.840 0.014 0.000 0.752 375 L CB -0.437 41.628 42.059 0.011 0.000 0.891 375 L HN 0.268 nan 8.230 nan 0.000 0.432 376 A N -1.570 121.256 122.820 0.009 0.000 2.121 376 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 376 A C 2.179 179.768 177.584 0.007 0.000 1.154 376 A CA 1.541 53.583 52.037 0.007 0.000 0.679 376 A CB -0.418 18.586 19.000 0.006 0.000 0.795 376 A HN 0.548 nan 8.150 nan 0.000 0.458 377 E N -1.551 118.655 120.200 0.010 0.000 2.162 377 E HA 0.116 4.464 4.350 -0.002 0.000 0.193 377 E C 0.857 177.464 176.600 0.011 0.000 0.953 377 E CA 1.293 57.698 56.400 0.008 0.000 0.849 377 E CB 0.281 29.986 29.700 0.009 0.000 0.810 377 E HN 0.359 nan 8.360 nan 0.000 0.470 378 T N -3.552 111.016 114.554 0.022 0.000 2.648 378 T HA 0.503 4.852 4.350 -0.002 0.000 0.304 378 T C 0.163 174.887 174.700 0.040 0.000 1.312 378 T CA 0.091 62.212 62.100 0.034 0.000 1.023 378 T CB 0.868 69.765 68.868 0.048 0.000 1.612 378 T HN 0.354 nan 8.240 nan 0.000 0.487 379 G N 0.398 109.231 108.800 0.055 0.000 2.254 379 G HA2 -0.095 3.863 3.960 -0.002 0.000 0.225 379 G HA3 -0.095 3.863 3.960 -0.002 0.000 0.225 379 G C 0.321 175.253 174.900 0.054 0.000 1.003 379 G CA 0.980 46.113 45.100 0.054 0.000 0.622 379 G HN 1.796 nan 8.290 nan 0.000 0.507 380 T N -1.547 113.034 114.554 0.045 0.000 2.883 380 T HA 0.687 5.036 4.350 -0.002 0.000 0.296 380 T C -0.224 174.493 174.700 0.028 0.000 1.117 380 T CA -0.782 61.340 62.100 0.036 0.000 1.006 380 T CB 1.898 70.777 68.868 0.019 0.000 1.191 380 T HN 0.641 nan 8.240 nan 0.000 0.508 381 L N 1.869 123.098 121.223 0.010 0.000 2.422 381 L HA 0.471 4.809 4.340 -0.002 0.000 0.256 381 L C 0.177 177.012 176.870 -0.059 0.000 1.202 381 L CA -0.225 54.600 54.840 -0.026 0.000 1.119 381 L CB -0.436 41.586 42.059 -0.062 0.000 1.383 381 L HN 0.672 nan 8.230 nan 0.000 0.411 382 E N 1.317 121.493 120.200 -0.040 0.000 2.293 382 E HA 0.592 4.941 4.350 -0.002 0.000 0.270 382 E C -0.528 176.049 176.600 -0.037 0.000 0.879 382 E CA -0.938 55.429 56.400 -0.054 0.000 0.756 382 E CB 2.512 32.194 29.700 -0.031 0.000 1.208 382 E HN 0.473 nan 8.360 nan 0.000 0.428 383 A N 1.180 123.972 122.820 -0.046 0.000 2.540 383 A HA 0.422 4.740 4.320 -0.002 0.000 0.239 383 A C 1.204 178.795 177.584 0.011 0.000 1.061 383 A CA 1.138 53.173 52.037 -0.003 0.000 0.758 383 A CB -0.453 18.559 19.000 0.020 0.000 0.991 383 A HN 0.898 nan 8.150 nan 0.000 0.502 384 G N 1.720 110.533 108.800 0.023 0.000 2.254 384 G HA2 -0.192 3.766 3.960 -0.002 0.000 0.225 384 G HA3 -0.192 3.766 3.960 -0.002 0.000 0.225 384 G C 0.406 175.313 174.900 0.011 0.000 1.003 384 G CA 0.467 45.578 45.100 0.018 0.000 0.622 384 G HN 0.831 nan 8.290 nan 0.000 0.507 385 K N 0.721 121.127 120.400 0.010 0.000 2.148 385 K HA 0.609 4.928 4.320 -0.002 0.000 0.239 385 K C 0.484 177.085 176.600 0.002 0.000 1.018 385 K CA 0.006 56.296 56.287 0.006 0.000 0.923 385 K CB 1.183 33.689 32.500 0.011 0.000 1.117 385 K HN 0.140 nan 8.250 nan 0.000 0.477 386 S N 0.359 116.050 115.700 -0.014 0.000 2.549 386 S HA 0.107 4.576 4.470 -0.002 0.000 0.283 386 S C -0.051 174.533 174.600 -0.027 0.000 1.320 386 S CA -0.625 57.545 58.200 -0.051 0.000 1.058 386 S CB 0.288 63.431 63.200 -0.095 0.000 0.882 386 S HN 0.586 nan 8.310 nan 0.000 0.498 387 A N 4.685 127.477 122.820 -0.046 0.000 3.026 387 A HA 0.262 4.581 4.320 -0.002 0.000 0.272 387 A C -0.574 176.932 177.584 -0.132 0.000 1.782 387 A CA -0.457 51.590 52.037 0.016 0.000 1.451 387 A CB -0.465 18.553 19.000 0.030 0.000 1.081 387 A HN 0.739 nan 8.150 nan 0.000 0.611 388 D N 2.263 122.647 120.400 -0.027 0.000 2.441 388 D HA 0.561 5.200 4.640 -0.002 0.000 0.231 388 D C -0.479 175.853 176.300 0.054 0.000 1.073 388 D CA 0.214 54.173 54.000 -0.068 0.000 0.850 388 D CB 0.720 41.553 40.800 0.055 0.000 1.062 388 D HN 0.420 nan 8.370 nan 0.000 0.524 389 F N -0.436 119.454 119.950 -0.101 0.000 2.662 389 F HA 0.853 5.378 4.527 -0.004 0.000 0.312 389 F C -1.322 174.389 175.800 -0.149 0.000 1.113 389 F CA -1.622 56.316 58.000 -0.103 0.000 0.951 389 F CB 1.259 40.168 39.000 -0.151 0.000 1.344 389 F HN 0.196 nan 8.300 nan 0.000 0.462 390 A N 1.968 124.861 122.820 0.122 0.000 2.343 390 A HA 0.803 5.121 4.320 -0.002 0.000 0.316 390 A C -1.167 176.242 177.584 -0.292 0.000 1.104 390 A CA -0.744 51.155 52.037 -0.231 0.000 0.768 390 A CB 0.819 19.555 19.000 -0.441 0.000 1.213 390 A HN 0.762 nan 8.150 nan 0.000 0.456 391 I N 1.741 122.128 120.570 -0.306 0.000 2.331 391 I HA 0.325 4.494 4.170 -0.002 0.000 0.292 391 I C -0.962 175.021 176.117 -0.224 0.000 0.998 391 I CA -0.207 61.044 61.300 -0.083 0.000 1.267 391 I CB 1.091 39.183 38.000 0.154 0.000 1.386 391 I HN 0.713 nan 8.210 nan 0.000 0.476 392 W N 4.280 125.720 121.300 0.234 0.000 2.606 392 W HA 0.284 4.943 4.660 -0.003 0.000 0.332 392 W C 0.095 176.733 176.519 0.200 0.000 1.052 392 W CA -0.614 56.860 57.345 0.215 0.000 1.223 392 W CB 0.824 30.397 29.460 0.189 0.000 1.383 392 W HN 0.351 nan 8.180 nan 0.000 0.524 393 D N 4.111 124.763 120.400 0.419 0.000 2.741 393 D HA 0.217 4.855 4.640 -0.002 0.000 0.233 393 D C -0.519 175.955 176.300 0.289 0.000 1.160 393 D CA 0.019 54.180 54.000 0.270 0.000 1.003 393 D CB -0.563 40.375 40.800 0.229 0.000 1.064 393 D HN 0.346 nan 8.370 nan 0.000 0.503 394 I N -2.407 118.349 120.570 0.309 0.000 3.074 394 I HA 0.508 4.676 4.170 -0.002 0.000 0.310 394 I C 0.398 176.673 176.117 0.264 0.000 1.153 394 I CA -0.835 60.604 61.300 0.231 0.000 0.993 394 I CB 2.250 40.342 38.000 0.153 0.000 1.237 394 I HN -0.298 nan 8.210 nan 0.000 0.443 395 E N 1.619 121.919 120.200 0.166 0.000 2.276 395 E HA 0.140 4.489 4.350 -0.002 0.000 0.193 395 E C 0.170 176.880 176.600 0.184 0.000 0.983 395 E CA 0.538 57.062 56.400 0.205 0.000 0.861 395 E CB 0.538 30.300 29.700 0.104 0.000 0.817 395 E HN 0.590 nan 8.360 nan 0.000 0.485 396 R N 0.448 120.904 120.500 -0.073 0.000 2.604 396 R HA 0.246 4.585 4.340 -0.002 0.000 0.281 396 R C -2.358 173.630 176.300 -0.521 0.000 1.020 396 R CA -1.682 54.221 56.100 -0.328 0.000 0.899 396 R CB 1.895 32.074 30.300 -0.200 0.000 1.205 396 R HN -0.292 nan 8.270 nan 0.000 0.450 397 P HA -0.113 nan 4.420 nan 0.000 0.219 397 P C 0.731 177.788 177.300 -0.404 0.000 1.146 397 P CA 1.620 64.317 63.100 -0.671 0.000 0.808 397 P CB 0.216 31.460 31.700 -0.760 0.000 0.779 398 A N 0.029 122.655 122.820 -0.324 0.000 2.024 398 A HA -0.256 4.063 4.320 -0.002 0.000 0.220 398 A C 2.076 179.579 177.584 -0.135 0.000 1.164 398 A CA 1.568 53.480 52.037 -0.209 0.000 0.643 398 A CB -1.161 17.724 19.000 -0.191 0.000 0.806 398 A HN 0.219 nan 8.150 nan 0.000 0.451 399 E N -0.222 119.893 120.200 -0.142 0.000 2.209 399 E HA -0.161 4.188 4.350 -0.002 0.000 0.196 399 E C 1.610 178.198 176.600 -0.021 0.000 0.993 399 E CA 1.009 57.409 56.400 0.001 0.000 0.819 399 E CB -0.282 29.410 29.700 -0.013 0.000 0.745 399 E HN 0.690 nan 8.360 nan 0.000 0.477 400 L N 0.109 121.223 121.223 -0.183 0.000 2.376 400 L HA -0.092 4.247 4.340 -0.002 0.000 0.219 400 L C 1.922 178.694 176.870 -0.164 0.000 1.133 400 L CA 0.418 55.100 54.840 -0.263 0.000 0.816 400 L CB 0.037 41.778 42.059 -0.530 0.000 0.933 400 L HN 0.061 nan 8.230 nan 0.000 0.449 401 V N -2.141 117.710 119.914 -0.104 0.000 3.212 401 V HA -0.145 3.974 4.120 -0.002 0.000 0.244 401 V C 1.928 178.015 176.094 -0.011 0.000 1.151 401 V CA 0.391 62.649 62.300 -0.070 0.000 1.119 401 V CB -0.340 31.439 31.823 -0.073 0.000 0.838 401 V HN 0.326 nan 8.190 nan 0.000 0.470 402 Y N 2.424 122.655 120.300 -0.114 0.000 2.163 402 Y HA 0.019 4.568 4.550 -0.003 0.000 0.288 402 Y C 1.562 177.413 175.900 -0.082 0.000 1.136 402 Y CA 0.939 58.981 58.100 -0.096 0.000 1.147 402 Y CB -0.119 38.279 38.460 -0.104 0.000 0.987 402 Y HN 0.082 nan 8.280 nan 0.000 0.509 403 R N 1.130 121.396 120.500 -0.390 0.000 2.641 403 R HA 0.353 4.691 4.340 -0.002 0.000 0.269 403 R C -0.907 175.254 176.300 -0.232 0.000 1.074 403 R CA -0.092 55.721 56.100 -0.479 0.000 1.133 403 R CB 0.566 30.707 30.300 -0.265 0.000 1.029 403 R HN 0.254 nan 8.270 nan 0.000 0.488 404 I N 0.794 121.244 120.570 -0.201 0.000 2.382 404 I HA 0.227 4.396 4.170 -0.002 0.000 0.285 404 I C 0.629 176.728 176.117 -0.030 0.000 1.007 404 I CA -0.274 60.959 61.300 -0.111 0.000 1.142 404 I CB 1.837 39.761 38.000 -0.126 0.000 1.289 404 I HN 0.903 nan 8.210 nan 0.000 0.453 405 G N 4.869 113.671 108.800 0.003 0.000 2.289 405 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.280 405 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.280 405 G C -0.688 174.289 174.900 0.128 0.000 1.089 405 G CA -0.257 44.866 45.100 0.037 0.000 0.939 405 G HN 0.498 nan 8.290 nan 0.000 0.499 406 F N 0.038 119.967 119.950 -0.034 0.000 2.588 406 F HA 0.724 5.249 4.527 -0.002 0.000 0.310 406 F C -0.739 175.081 175.800 0.034 0.000 1.082 406 F CA -1.715 56.282 58.000 -0.005 0.000 0.929 406 F CB 2.230 41.218 39.000 -0.021 0.000 1.254 406 F HN 0.050 nan 8.300 nan 0.000 0.455 407 N N 5.313 123.714 118.700 -0.498 0.000 2.576 407 N HA 0.413 5.152 4.740 -0.002 0.000 0.269 407 N C -2.504 172.906 175.510 -0.167 0.000 1.058 407 N CA -1.907 51.048 53.050 -0.160 0.000 0.860 407 N CB 1.893 40.306 38.487 -0.123 0.000 1.249 407 N HN 0.360 nan 8.380 nan 0.000 0.525 408 P HA 0.127 nan 4.420 nan 0.000 0.258 408 P C 0.210 177.770 177.300 0.433 0.000 1.416 408 P CA -0.339 62.995 63.100 0.389 0.000 0.927 408 P CB 0.297 32.327 31.700 0.550 0.000 1.444 409 L N 1.051 122.477 121.223 0.339 0.000 2.525 409 L HA 0.016 4.355 4.340 -0.002 0.000 0.278 409 L C 1.621 178.516 176.870 0.042 0.000 1.218 409 L CA 0.765 55.620 54.840 0.025 0.000 0.878 409 L CB 0.229 42.177 42.059 -0.185 0.000 1.127 409 L HN -0.035 nan 8.230 nan 0.000 0.492 410 H N 3.869 122.876 119.070 -0.106 0.000 2.506 410 H HA 0.642 5.197 4.556 -0.002 0.000 0.289 410 H C -0.274 175.015 175.328 -0.066 0.000 1.009 410 H CA 0.578 56.608 56.048 -0.031 0.000 1.303 410 H CB 0.615 30.398 29.762 0.035 0.000 1.453 410 H HN 0.702 nan 8.280 nan 0.000 0.526 411 A N -0.245 122.461 122.820 -0.191 0.000 2.605 411 A HA 0.575 4.894 4.320 -0.002 0.000 0.294 411 A C -1.383 176.064 177.584 -0.228 0.000 1.062 411 A CA -0.803 51.109 52.037 -0.209 0.000 0.682 411 A CB 1.220 20.145 19.000 -0.124 0.000 1.278 411 A HN 0.288 nan 8.150 nan 0.000 0.410 412 R N 1.332 121.707 120.500 -0.209 0.000 2.534 412 R HA 0.698 5.036 4.340 -0.002 0.000 0.301 412 R C -1.594 174.554 176.300 -0.254 0.000 0.961 412 R CA -0.645 55.313 56.100 -0.237 0.000 0.871 412 R CB 1.052 31.234 30.300 -0.196 0.000 1.170 412 R HN 0.597 nan 8.270 nan 0.000 0.446 413 I N 5.309 125.620 120.570 -0.432 0.000 2.410 413 I HA 0.296 4.464 4.170 -0.002 0.000 0.286 413 I C -1.060 174.825 176.117 -0.386 0.000 1.009 413 I CA -0.629 60.316 61.300 -0.593 0.000 1.111 413 I CB 1.320 38.413 38.000 -1.513 0.000 1.262 413 I HN 0.575 nan 8.210 nan 0.000 0.443 414 F N 6.859 126.609 119.950 -0.332 0.000 2.427 414 F HA 0.397 4.926 4.527 0.003 0.000 0.348 414 F C 0.772 176.471 175.800 -0.168 0.000 1.125 414 F CA -0.916 56.952 58.000 -0.220 0.000 0.989 414 F CB 0.714 39.629 39.000 -0.142 0.000 1.165 414 F HN 0.518 nan 8.300 nan 0.000 0.442 415 K N 4.741 124.737 120.400 -0.672 0.000 3.148 415 K HA -0.212 4.106 4.320 -0.002 0.000 0.267 415 K C 0.948 177.391 176.600 -0.262 0.000 0.996 415 K CA 0.754 56.722 56.287 -0.533 0.000 0.737 415 K CB -1.699 30.377 32.500 -0.707 0.000 1.308 415 K HN 1.334 nan 8.250 nan 0.000 0.470 416 G N -0.613 108.048 108.800 -0.231 0.000 2.245 416 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.264 416 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.264 416 G C -0.089 174.819 174.900 0.013 0.000 0.985 416 G CA 0.542 45.592 45.100 -0.083 0.000 0.625 416 G HN 0.348 nan 8.290 nan 0.000 0.536 417 Q N 0.384 120.157 119.800 -0.046 0.000 2.271 417 Q HA 0.381 4.720 4.340 -0.002 0.000 0.258 417 Q C 0.125 176.131 176.000 0.011 0.000 0.936 417 Q CA -0.544 55.281 55.803 0.036 0.000 0.909 417 Q CB 1.771 30.528 28.738 0.033 0.000 1.253 417 Q HN 0.471 nan 8.270 nan 0.000 0.440 418 K N 1.895 122.346 120.400 0.085 0.000 2.379 418 K HA 0.111 4.430 4.320 -0.002 0.000 0.284 418 K C 0.694 177.302 176.600 0.014 0.000 1.044 418 K CA 0.013 56.330 56.287 0.050 0.000 0.974 418 K CB 0.486 33.069 32.500 0.138 0.000 0.962 418 K HN 0.469 nan 8.250 nan 0.000 0.474 419 V N -0.446 119.454 119.914 -0.024 0.000 3.621 419 V HA 0.273 4.391 4.120 -0.002 0.000 0.263 419 V C 0.160 176.227 176.094 -0.044 0.000 1.272 419 V CA -0.144 62.142 62.300 -0.022 0.000 1.080 419 V CB 0.039 31.850 31.823 -0.019 0.000 0.816 419 V HN 0.736 nan 8.190 nan 0.000 0.451 420 S N 0.000 115.662 115.700 -0.064 0.000 2.498 420 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 420 S CA 0.000 58.153 58.200 -0.078 0.000 1.107 420 S CB 0.000 63.159 63.200 -0.068 0.000 0.593 420 S HN 0.000 nan 8.310 nan 0.000 0.517