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 2x6r_1_A DATA FIRST_RESID 2 DATA SEQUENCE KMYEVKEXXX XXRKLEDYKS IIGEEEVSKI QEKAEKLKGR SFVHVNSTSF DATA SEQUENCE GGGVAEILHS LVPLLRSIGI EARWFVIEGP TEFFNVTKTF HNALQGNESL DATA SEQUENCE KLTEEMKELY LNVNRENSKF IDLSSFDYVL VHDPQPAALI EFYEKKSPWL DATA SEQUENCE WRCHIDLSSP NREFWEFLRR FVEKYDRYIF HLPEYVQPEL DRNKAVIMPP DATA SEQUENCE SIDPLSEKNV ELKQTEILRI LERFDVDPEK PIITQVSRFD PWKGIFDVIE DATA SEQUENCE IYRKVKEKIP GVQLLLVGVM AHDDPEGWIY FEKTLRKIGE DYDVKVLTNL DATA SEQUENCE IGVHAREVNA FQRASDVILQ MSIREGFGLT VTEAMWKGKP VIGRAVGGIK DATA SEQUENCE FQIVDGETGF LVRDANEAVE VVLYLLKHPE VSKEMGAKAK ERVRKNFIIT DATA SEQUENCE KHMERYLDIL NSLG 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.611 176.600 0.018 0.000 0.988 2 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 2 K CB 0.000 32.416 32.500 -0.141 0.000 1.064 3 M N 2.175 121.877 119.600 0.170 0.000 2.563 3 M HA -0.227 4.271 4.480 0.030 0.000 0.195 3 M C -1.676 174.872 176.300 0.413 0.000 0.787 3 M CA 0.765 56.206 55.300 0.234 0.000 0.578 3 M CB -1.431 31.320 32.600 0.250 0.000 1.469 3 M HN 0.434 nan 8.290 nan 0.000 0.860 4 Y N -0.560 119.842 120.300 0.171 0.000 2.376 4 Y HA 0.818 5.385 4.550 0.030 0.000 0.325 4 Y C 0.212 176.173 175.900 0.100 0.000 1.199 4 Y CA -1.099 57.117 58.100 0.193 0.000 1.206 4 Y CB 0.768 39.228 38.460 0.001 0.000 1.229 4 Y HN 0.515 nan 8.280 nan 0.000 0.480 5 E N 2.073 122.300 120.200 0.045 0.000 2.266 5 E HA 0.450 4.817 4.350 0.030 0.000 0.277 5 E C -1.415 174.945 176.600 -0.400 0.000 1.018 5 E CA -0.977 55.143 56.400 -0.466 0.000 0.840 5 E CB 1.725 31.092 29.700 -0.554 0.000 1.082 5 E HN 0.758 nan 8.360 nan 0.000 0.395 6 V N 4.743 124.266 119.914 -0.652 0.000 2.509 6 V HA 0.243 4.380 4.120 0.030 0.000 0.284 6 V C -0.032 175.860 176.094 -0.336 0.000 1.047 6 V CA -0.057 61.931 62.300 -0.520 0.000 0.952 6 V CB 1.269 32.516 31.823 -0.959 0.000 0.988 6 V HN 0.783 nan 8.190 nan 0.000 0.469 7 K N 3.933 124.220 120.400 -0.188 0.000 2.511 7 K HA 0.376 4.714 4.320 0.030 0.000 0.209 7 K C 0.320 176.884 176.600 -0.060 0.000 1.301 7 K CA 0.114 56.334 56.287 -0.112 0.000 0.967 7 K CB 0.892 33.351 32.500 -0.068 0.000 1.109 7 K HN 0.750 nan 8.250 nan 0.000 0.561 15 K N 3.139 123.612 120.400 0.121 0.000 2.482 15 K HA 0.365 4.703 4.320 0.030 0.000 0.257 15 K C -0.286 176.430 176.600 0.193 0.000 0.969 15 K CA -1.043 55.316 56.287 0.121 0.000 0.842 15 K CB 1.720 34.265 32.500 0.074 0.000 1.359 15 K HN 0.293 nan 8.250 nan 0.000 0.441 16 L N 1.804 123.125 121.223 0.163 0.000 2.129 16 L HA -0.143 4.215 4.340 0.030 0.000 0.212 16 L C 1.872 178.862 176.870 0.200 0.000 1.087 16 L CA 1.958 56.912 54.840 0.190 0.000 0.757 16 L CB -0.587 41.529 42.059 0.095 0.000 0.896 16 L HN 0.901 nan 8.230 nan 0.000 0.434 17 E N -0.722 119.551 120.200 0.121 0.000 2.209 17 E HA -0.232 4.136 4.350 0.030 0.000 0.196 17 E C 1.575 178.212 176.600 0.062 0.000 0.993 17 E CA 1.119 57.568 56.400 0.082 0.000 0.819 17 E CB -0.161 29.569 29.700 0.050 0.000 0.745 17 E HN 0.572 nan 8.360 nan 0.000 0.477 18 D N -0.305 120.117 120.400 0.037 0.000 2.263 18 D HA -0.152 4.506 4.640 0.030 0.000 0.208 18 D C 0.804 176.953 176.300 -0.251 0.000 0.971 18 D CA 1.124 55.042 54.000 -0.137 0.000 0.867 18 D CB -0.052 40.592 40.800 -0.260 0.000 0.929 18 D HN 0.371 nan 8.370 nan 0.000 0.492 19 Y N -0.093 120.226 120.300 0.032 0.000 2.467 19 Y HA 0.202 4.769 4.550 0.029 0.000 0.250 19 Y C 1.941 177.867 175.900 0.043 0.000 1.155 19 Y CA -0.455 57.668 58.100 0.038 0.000 1.249 19 Y CB 0.208 38.683 38.460 0.025 0.000 1.146 19 Y HN -0.207 nan 8.280 nan 0.000 0.524 20 K N 1.103 121.593 120.400 0.151 0.000 2.015 20 K HA -0.263 4.074 4.320 0.030 0.000 0.216 20 K C 2.253 178.909 176.600 0.093 0.000 1.052 20 K CA 2.379 58.729 56.287 0.105 0.000 0.937 20 K CB -0.244 32.298 32.500 0.069 0.000 0.719 20 K HN 0.370 nan 8.250 nan 0.000 0.446 21 S N 0.241 115.987 115.700 0.076 0.000 2.419 21 S HA -0.131 4.357 4.470 0.030 0.000 0.233 21 S C 1.963 176.622 174.600 0.099 0.000 1.016 21 S CA 1.315 59.556 58.200 0.069 0.000 0.974 21 S CB -0.501 62.727 63.200 0.048 0.000 0.786 21 S HN 0.388 nan 8.310 nan 0.000 0.492 22 I N 1.511 122.168 120.570 0.145 0.000 2.480 22 I HA 0.076 4.264 4.170 0.030 0.000 0.251 22 I C 2.315 178.554 176.117 0.204 0.000 1.124 22 I CA 1.087 62.515 61.300 0.213 0.000 1.444 22 I CB -0.213 37.969 38.000 0.303 0.000 1.098 22 I HN 0.396 nan 8.210 nan 0.000 0.428 23 I N -1.683 118.986 120.570 0.165 0.000 3.941 23 I HA 0.484 4.671 4.170 0.030 0.000 0.321 23 I C 0.876 177.043 176.117 0.082 0.000 1.284 23 I CA 0.002 61.373 61.300 0.118 0.000 1.226 23 I CB -0.050 38.002 38.000 0.087 0.000 1.045 23 I HN 0.153 nan 8.210 nan 0.000 0.420 24 G N 2.124 110.972 108.800 0.079 0.000 2.733 24 G HA2 -0.201 3.776 3.960 0.030 0.000 0.686 24 G HA3 -0.201 3.776 3.960 0.030 0.000 0.686 24 G C 0.016 174.944 174.900 0.046 0.000 1.373 24 G CA 0.047 45.180 45.100 0.055 0.000 0.838 24 G HN 0.465 nan 8.290 nan 0.000 0.588 25 E N 0.150 120.372 120.200 0.037 0.000 2.072 25 E HA -0.137 4.231 4.350 0.030 0.000 0.191 25 E C 2.127 178.741 176.600 0.024 0.000 0.985 25 E CA 1.177 57.596 56.400 0.031 0.000 0.801 25 E CB 0.060 29.775 29.700 0.026 0.000 0.750 25 E HN 0.729 nan 8.360 nan 0.000 0.452 26 E N 0.805 121.018 120.200 0.021 0.000 2.130 26 E HA -0.283 4.085 4.350 0.030 0.000 0.196 26 E C 1.934 178.541 176.600 0.012 0.000 0.998 26 E CA 1.384 57.793 56.400 0.014 0.000 0.806 26 E CB 0.120 29.828 29.700 0.012 0.000 0.738 26 E HN 0.045 nan 8.360 nan 0.000 0.459 27 E N -0.532 119.677 120.200 0.016 0.000 2.170 27 E HA -0.056 4.312 4.350 0.030 0.000 0.191 27 E C 1.878 178.484 176.600 0.010 0.000 0.981 27 E CA 0.575 56.980 56.400 0.009 0.000 0.830 27 E CB 0.138 29.845 29.700 0.012 0.000 0.775 27 E HN 0.121 nan 8.360 nan 0.000 0.470 28 V N 0.887 120.815 119.914 0.023 0.000 2.343 28 V HA -0.265 3.873 4.120 0.030 0.000 0.247 28 V C 2.417 178.521 176.094 0.017 0.000 1.051 28 V CA 1.992 64.308 62.300 0.027 0.000 1.036 28 V CB -0.822 31.025 31.823 0.040 0.000 0.654 28 V HN 0.452 nan 8.190 nan 0.000 0.451 29 S N 0.192 115.901 115.700 0.015 0.000 2.383 29 S HA -0.269 4.219 4.470 0.030 0.000 0.227 29 S C 2.025 176.628 174.600 0.004 0.000 1.026 29 S CA 1.674 59.880 58.200 0.011 0.000 0.981 29 S CB -0.454 62.752 63.200 0.010 0.000 0.818 29 S HN 0.618 nan 8.310 nan 0.000 0.472 30 K N 1.159 121.559 120.400 0.001 0.000 2.103 30 K HA -0.038 4.300 4.320 0.030 0.000 0.207 30 K C 2.082 178.675 176.600 -0.011 0.000 1.048 30 K CA 1.621 57.904 56.287 -0.006 0.000 0.930 30 K CB -0.358 32.137 32.500 -0.009 0.000 0.716 30 K HN 0.492 nan 8.250 nan 0.000 0.444 31 I N 0.868 121.432 120.570 -0.010 0.000 2.202 31 I HA -0.281 3.907 4.170 0.030 0.000 0.242 31 I C 2.476 178.587 176.117 -0.010 0.000 1.091 31 I CA 1.307 62.599 61.300 -0.015 0.000 1.368 31 I CB -0.269 37.723 38.000 -0.014 0.000 1.058 31 I HN 0.295 nan 8.210 nan 0.000 0.410 32 Q N 0.327 120.127 119.800 -0.001 0.000 2.135 32 Q HA -0.279 4.079 4.340 0.030 0.000 0.204 32 Q C 2.097 178.095 176.000 -0.002 0.000 0.981 32 Q CA 1.794 57.599 55.803 0.003 0.000 0.856 32 Q CB -0.144 28.600 28.738 0.010 0.000 0.902 32 Q HN 0.487 nan 8.270 nan 0.000 0.425 33 E N 1.213 121.410 120.200 -0.004 0.000 2.017 33 E HA -0.223 4.145 4.350 0.030 0.000 0.193 33 E C 1.632 178.224 176.600 -0.014 0.000 0.997 33 E CA 1.170 57.566 56.400 -0.007 0.000 0.804 33 E CB 0.112 29.808 29.700 -0.007 0.000 0.757 33 E HN 0.181 nan 8.360 nan 0.000 0.448 34 K N -0.077 120.310 120.400 -0.021 0.000 2.218 34 K HA -0.150 4.188 4.320 0.030 0.000 0.205 34 K C 2.004 178.580 176.600 -0.040 0.000 1.046 34 K CA 1.003 57.270 56.287 -0.033 0.000 0.933 34 K CB -0.112 32.362 32.500 -0.042 0.000 0.728 34 K HN 0.173 nan 8.250 nan 0.000 0.454 35 A N 1.309 124.110 122.820 -0.031 0.000 2.067 35 A HA -0.144 4.194 4.320 0.030 0.000 0.217 35 A C 1.990 179.565 177.584 -0.016 0.000 1.156 35 A CA 0.904 52.923 52.037 -0.030 0.000 0.683 35 A CB -0.253 18.738 19.000 -0.015 0.000 0.808 35 A HN 0.382 nan 8.150 nan 0.000 0.455 36 E N 0.570 120.764 120.200 -0.009 0.000 2.049 36 E HA -0.266 4.102 4.350 0.030 0.000 0.198 36 E C 1.267 177.868 176.600 0.001 0.000 1.007 36 E CA 1.542 57.942 56.400 -0.000 0.000 0.809 36 E CB -0.086 29.614 29.700 0.000 0.000 0.749 36 E HN 0.339 nan 8.360 nan 0.000 0.450 37 K N -0.026 120.371 120.400 -0.005 0.000 2.442 37 K HA -0.090 4.248 4.320 0.030 0.000 0.198 37 K C 1.650 178.256 176.600 0.010 0.000 1.044 37 K CA 0.729 57.017 56.287 0.001 0.000 0.948 37 K CB -0.001 32.495 32.500 -0.006 0.000 0.762 37 K HN 0.360 nan 8.250 nan 0.000 0.472 38 L N 0.414 121.635 121.223 -0.003 0.000 2.906 38 L HA 0.151 4.509 4.340 0.030 0.000 0.255 38 L C 0.024 176.915 176.870 0.034 0.000 1.166 38 L CA -0.316 54.530 54.840 0.009 0.000 0.977 38 L CB 0.237 42.248 42.059 -0.079 0.000 1.313 38 L HN -0.102 nan 8.230 nan 0.000 0.549 39 K N 0.881 121.300 120.400 0.030 0.000 2.527 39 K HA 0.155 4.493 4.320 0.030 0.000 0.278 39 K C 1.352 177.985 176.600 0.055 0.000 0.981 39 K CA 0.872 57.182 56.287 0.039 0.000 1.009 39 K CB 0.318 32.835 32.500 0.030 0.000 0.895 39 K HN 0.241 nan 8.250 nan 0.000 0.493 40 G N 2.392 111.229 108.800 0.062 0.000 2.302 40 G HA2 -0.364 3.614 3.960 0.030 0.000 0.263 40 G HA3 -0.364 3.614 3.960 0.030 0.000 0.263 40 G C 0.148 175.106 174.900 0.097 0.000 0.995 40 G CA 0.276 45.419 45.100 0.071 0.000 0.622 40 G HN 0.619 nan 8.290 nan 0.000 0.538 41 R N 1.165 121.736 120.500 0.118 0.000 2.643 41 R HA 0.434 4.792 4.340 0.030 0.000 0.270 41 R C 0.755 177.189 176.300 0.225 0.000 1.061 41 R CA 0.542 56.744 56.100 0.171 0.000 1.107 41 R CB 0.584 31.034 30.300 0.250 0.000 0.999 41 R HN 0.513 nan 8.270 nan 0.000 0.460 42 S N 2.115 117.970 115.700 0.257 0.000 2.489 42 S HA 0.277 4.764 4.470 0.030 0.000 0.277 42 S C -0.586 174.252 174.600 0.396 0.000 1.230 42 S CA -0.684 57.703 58.200 0.313 0.000 1.053 42 S CB 0.752 64.222 63.200 0.449 0.000 0.955 42 S HN 0.496 nan 8.310 nan 0.000 0.488 43 F N 4.368 124.368 119.950 0.083 0.000 2.443 43 F HA 0.498 5.042 4.527 0.029 0.000 0.369 43 F C -0.990 174.695 175.800 -0.192 0.000 1.090 43 F CA -1.909 56.068 58.000 -0.038 0.000 1.129 43 F CB 0.489 39.431 39.000 -0.097 0.000 1.367 43 F HN 0.456 nan 8.300 nan 0.000 0.465 44 V N 6.029 125.777 119.914 -0.277 0.000 2.509 44 V HA 0.316 4.453 4.120 0.030 0.000 0.284 44 V C -0.035 175.706 176.094 -0.589 0.000 1.047 44 V CA -0.491 61.543 62.300 -0.443 0.000 0.952 44 V CB 1.223 32.634 31.823 -0.687 0.000 0.988 44 V HN 0.521 nan 8.190 nan 0.000 0.469 45 H N 2.962 121.881 119.070 -0.251 0.000 2.469 45 H HA 0.668 5.241 4.556 0.029 0.000 0.342 45 H C -1.096 174.292 175.328 0.100 0.000 1.115 45 H CA -0.493 55.468 56.048 -0.146 0.000 1.204 45 H CB 2.324 31.879 29.762 -0.344 0.000 1.492 45 H HN 0.395 nan 8.280 nan 0.000 0.499 46 V N 4.624 124.713 119.914 0.292 0.000 2.623 46 V HA 0.186 4.324 4.120 0.030 0.000 0.304 46 V C -0.001 176.297 176.094 0.341 0.000 1.054 46 V CA -0.858 61.634 62.300 0.321 0.000 0.882 46 V CB 1.577 33.527 31.823 0.212 0.000 1.002 46 V HN 0.873 nan 8.190 nan 0.000 0.424 47 N N 2.652 121.550 118.700 0.329 0.000 3.439 47 N HA 0.362 5.120 4.740 0.030 0.000 0.343 47 N C 0.405 176.067 175.510 0.255 0.000 1.597 47 N CA 0.025 53.235 53.050 0.267 0.000 0.733 47 N CB 1.681 40.257 38.487 0.149 0.000 1.973 47 N HN 0.468 nan 8.380 nan 0.000 0.646 48 S N -2.099 113.744 115.700 0.239 0.000 2.578 48 S HA 0.294 4.782 4.470 0.030 0.000 0.231 48 S C -0.020 174.751 174.600 0.285 0.000 0.994 48 S CA 0.071 58.435 58.200 0.273 0.000 0.956 48 S CB -0.525 62.841 63.200 0.278 0.000 0.870 48 S HN 0.943 nan 8.310 nan 0.000 0.494 49 T N 0.596 115.277 114.554 0.210 0.000 2.927 49 T HA 0.360 4.728 4.350 0.030 0.000 0.350 49 T C -0.380 174.419 174.700 0.165 0.000 1.746 49 T CA 0.125 62.294 62.100 0.116 0.000 1.081 49 T CB 0.887 69.835 68.868 0.134 0.000 1.551 49 T HN 0.277 nan 8.240 nan 0.000 0.489 50 S N 1.857 117.519 115.700 -0.063 0.000 2.578 50 S HA 0.474 4.962 4.470 0.030 0.000 0.231 50 S C 0.117 174.968 174.600 0.419 0.000 0.994 50 S CA -0.594 57.677 58.200 0.118 0.000 0.956 50 S CB -0.167 62.777 63.200 -0.427 0.000 0.870 50 S HN 0.541 nan 8.310 nan 0.000 0.494 51 F N 1.727 121.783 119.950 0.177 0.000 2.523 51 F HA 0.647 5.191 4.527 0.029 0.000 0.329 51 F C 1.306 177.142 175.800 0.061 0.000 1.061 51 F CA -0.340 57.710 58.000 0.084 0.000 0.967 51 F CB 1.488 40.513 39.000 0.041 0.000 1.218 51 F HN 0.429 nan 8.300 nan 0.000 0.480 52 G N 0.784 109.709 108.800 0.208 0.000 2.741 52 G HA2 0.043 4.021 3.960 0.030 0.000 0.222 52 G HA3 0.043 4.021 3.960 0.030 0.000 0.222 52 G C -0.049 174.899 174.900 0.080 0.000 1.364 52 G CA -0.645 44.521 45.100 0.110 0.000 0.866 52 G HN 1.122 nan 8.290 nan 0.000 0.555 53 G N -1.829 107.006 108.800 0.060 0.000 2.574 53 G HA2 0.829 4.807 3.960 0.030 0.000 0.248 53 G HA3 0.829 4.807 3.960 0.030 0.000 0.248 53 G C 1.493 176.409 174.900 0.028 0.000 1.422 53 G CA 1.377 46.500 45.100 0.038 0.000 1.051 53 G HN 2.697 nan 8.290 nan 0.000 0.560 54 G N -1.838 106.965 108.800 0.005 0.000 2.523 54 G HA2 -0.219 3.759 3.960 0.030 0.000 0.271 54 G HA3 -0.219 3.759 3.960 0.030 0.000 0.271 54 G C 1.165 175.992 174.900 -0.122 0.000 1.146 54 G CA 1.153 46.232 45.100 -0.035 0.000 0.961 54 G HN 1.382 nan 8.290 nan 0.000 0.549 55 V N 1.501 121.277 119.914 -0.229 0.000 2.515 55 V HA 0.104 4.242 4.120 0.030 0.000 0.250 55 V C 3.351 179.249 176.094 -0.326 0.000 1.058 55 V CA 3.157 65.210 62.300 -0.412 0.000 1.064 55 V CB -1.258 30.259 31.823 -0.511 0.000 0.675 55 V HN 1.492 nan 8.190 nan 0.000 0.461 56 A N -0.287 122.486 122.820 -0.078 0.000 1.898 56 A HA -0.199 4.138 4.320 0.030 0.000 0.216 56 A C 2.324 180.023 177.584 0.193 0.000 1.181 56 A CA 1.606 53.743 52.037 0.166 0.000 0.620 56 A CB -0.473 18.773 19.000 0.410 0.000 0.819 56 A HN 0.443 nan 8.150 nan 0.000 0.442 57 E N 0.334 120.575 120.200 0.068 0.000 2.160 57 E HA -0.162 4.206 4.350 0.030 0.000 0.195 57 E C 1.850 178.448 176.600 -0.004 0.000 0.991 57 E CA 1.196 57.614 56.400 0.030 0.000 0.810 57 E CB -0.245 29.454 29.700 -0.001 0.000 0.742 57 E HN 0.693 nan 8.360 nan 0.000 0.466 58 I N 0.292 120.803 120.570 -0.098 0.000 2.233 58 I HA -0.250 3.938 4.170 0.030 0.000 0.243 58 I C 2.489 178.460 176.117 -0.243 0.000 1.093 58 I CA 0.591 61.809 61.300 -0.136 0.000 1.380 58 I CB -0.229 37.688 38.000 -0.137 0.000 1.067 58 I HN 0.067 nan 8.210 nan 0.000 0.413 59 L N -0.211 120.701 121.223 -0.518 0.000 2.131 59 L HA -0.226 4.132 4.340 0.030 0.000 0.210 59 L C 2.473 179.049 176.870 -0.489 0.000 1.092 59 L CA 1.323 55.638 54.840 -0.875 0.000 0.759 59 L CB -0.932 39.909 42.059 -2.029 0.000 0.903 59 L HN 0.295 nan 8.230 nan 0.000 0.435 60 H N -1.069 117.878 119.070 -0.203 0.000 2.489 60 H HA -0.094 4.480 4.556 0.030 0.000 0.293 60 H C 2.291 177.626 175.328 0.012 0.000 1.066 60 H CA 1.475 57.563 56.048 0.066 0.000 1.305 60 H CB 0.220 30.063 29.762 0.135 0.000 1.386 60 H HN 0.215 nan 8.280 nan 0.000 0.551 61 S N -0.929 114.806 115.700 0.058 0.000 2.527 61 S HA 0.033 4.521 4.470 0.030 0.000 0.227 61 S C 1.789 176.388 174.600 -0.002 0.000 1.059 61 S CA -0.003 58.231 58.200 0.057 0.000 0.919 61 S CB 0.181 63.429 63.200 0.079 0.000 0.805 61 S HN 0.157 nan 8.310 nan 0.000 0.500 62 L N 2.417 123.586 121.223 -0.089 0.000 2.072 62 L HA 0.085 4.442 4.340 0.030 0.000 0.205 62 L C 2.087 178.858 176.870 -0.164 0.000 1.079 62 L CA 1.532 56.299 54.840 -0.122 0.000 0.752 62 L CB -0.717 41.233 42.059 -0.181 0.000 0.906 62 L HN 0.101 nan 8.230 nan 0.000 0.436 63 V N 0.597 120.361 119.914 -0.251 0.000 2.255 63 V HA -0.191 3.947 4.120 0.030 0.000 0.247 63 V C -0.091 175.966 176.094 -0.061 0.000 1.051 63 V CA 2.305 64.488 62.300 -0.194 0.000 1.018 63 V CB -1.826 29.895 31.823 -0.170 0.000 0.641 63 V HN 0.348 nan 8.190 nan 0.000 0.445 64 P HA -0.115 nan 4.420 nan 0.000 0.218 64 P C 1.855 179.175 177.300 0.034 0.000 1.149 64 P CA 0.995 64.105 63.100 0.018 0.000 0.817 64 P CB -0.020 31.704 31.700 0.040 0.000 0.785 65 L N -1.060 120.182 121.223 0.031 0.000 2.056 65 L HA -0.097 4.261 4.340 0.030 0.000 0.207 65 L C 2.122 179.016 176.870 0.040 0.000 1.078 65 L CA 1.728 56.596 54.840 0.047 0.000 0.749 65 L CB -1.282 40.795 42.059 0.029 0.000 0.901 65 L HN -0.115 nan 8.230 nan 0.000 0.433 66 L N -1.074 120.170 121.223 0.035 0.000 2.093 66 L HA -0.170 4.188 4.340 0.030 0.000 0.208 66 L C 2.677 179.588 176.870 0.067 0.000 1.085 66 L CA 1.092 55.974 54.840 0.070 0.000 0.755 66 L CB -0.406 41.729 42.059 0.127 0.000 0.904 66 L HN 0.205 nan 8.230 nan 0.000 0.435 67 R N -0.305 120.227 120.500 0.053 0.000 2.115 67 R HA -0.118 4.240 4.340 0.030 0.000 0.230 67 R C 2.516 178.845 176.300 0.047 0.000 1.111 67 R CA 1.445 57.576 56.100 0.052 0.000 0.976 67 R CB -0.460 29.864 30.300 0.040 0.000 0.870 67 R HN 0.430 nan 8.270 nan 0.000 0.445 68 S N 1.415 117.143 115.700 0.047 0.000 2.469 68 S HA -0.093 4.395 4.470 0.030 0.000 0.238 68 S C 1.689 176.316 174.600 0.044 0.000 0.998 68 S CA 0.993 59.221 58.200 0.048 0.000 0.957 68 S CB -0.466 62.769 63.200 0.059 0.000 0.764 68 S HN 0.534 nan 8.310 nan 0.000 0.514 69 I N -3.531 117.064 120.570 0.042 0.000 3.877 69 I HA 0.658 4.846 4.170 0.030 0.000 0.332 69 I C 1.253 177.390 176.117 0.033 0.000 1.525 69 I CA -0.061 61.259 61.300 0.034 0.000 1.146 69 I CB -0.194 37.822 38.000 0.027 0.000 1.137 69 I HN 0.316 nan 8.210 nan 0.000 0.424 70 G N 2.074 110.898 108.800 0.040 0.000 2.217 70 G HA2 -0.223 3.755 3.960 0.030 0.000 0.246 70 G HA3 -0.223 3.755 3.960 0.030 0.000 0.246 70 G C 0.126 175.058 174.900 0.053 0.000 0.990 70 G CA -0.012 45.112 45.100 0.041 0.000 0.627 70 G HN 0.436 nan 8.290 nan 0.000 0.522 71 I N 1.430 122.038 120.570 0.062 0.000 2.474 71 I HA 0.241 4.429 4.170 0.030 0.000 0.287 71 I C 0.930 177.113 176.117 0.110 0.000 1.048 71 I CA -0.264 61.089 61.300 0.089 0.000 1.383 71 I CB 1.434 39.492 38.000 0.097 0.000 1.412 71 I HN 0.202 nan 8.210 nan 0.000 0.531 72 E N 6.321 126.599 120.200 0.131 0.000 1.972 72 E HA 0.287 4.655 4.350 0.030 0.000 0.292 72 E C -0.360 176.325 176.600 0.143 0.000 1.193 72 E CA -0.512 55.965 56.400 0.128 0.000 1.228 72 E CB 0.279 30.064 29.700 0.141 0.000 1.167 72 E HN 0.699 nan 8.360 nan 0.000 0.479 73 A N 4.466 127.357 122.820 0.118 0.000 2.363 73 A HA 0.435 4.772 4.320 0.030 0.000 0.270 73 A C -0.118 177.480 177.584 0.024 0.000 1.121 73 A CA -0.288 51.802 52.037 0.088 0.000 0.800 73 A CB 0.565 19.606 19.000 0.069 0.000 1.052 73 A HN 0.584 nan 8.150 nan 0.000 0.493 74 R N 0.501 120.999 120.500 -0.005 0.000 2.771 74 R HA 0.405 4.763 4.340 0.030 0.000 0.274 74 R C -1.931 174.345 176.300 -0.040 0.000 0.987 74 R CA -0.537 55.513 56.100 -0.083 0.000 0.908 74 R CB 2.195 32.456 30.300 -0.065 0.000 1.213 74 R HN 0.794 nan 8.270 nan 0.000 0.468 75 W N 3.957 124.964 121.300 -0.487 0.000 2.715 75 W HA 0.481 5.159 4.660 0.031 0.000 0.331 75 W C -2.090 174.049 176.519 -0.633 0.000 1.031 75 W CA -1.534 55.574 57.345 -0.396 0.000 1.237 75 W CB 0.652 29.891 29.460 -0.369 0.000 1.378 75 W HN 0.406 nan 8.180 nan 0.000 0.454 76 F N 5.038 125.020 119.950 0.054 0.000 2.508 76 F HA 0.673 5.217 4.527 0.029 0.000 0.325 76 F C -0.128 175.539 175.800 -0.222 0.000 1.090 76 F CA -1.343 56.532 58.000 -0.209 0.000 0.945 76 F CB 1.799 40.739 39.000 -0.100 0.000 1.156 76 F HN -0.104 nan 8.300 nan 0.000 0.463 77 V N 4.438 124.117 119.914 -0.391 0.000 2.444 77 V HA 0.406 4.544 4.120 0.030 0.000 0.294 77 V C 0.142 176.145 176.094 -0.151 0.000 1.022 77 V CA -0.939 61.164 62.300 -0.329 0.000 0.850 77 V CB 1.512 32.920 31.823 -0.691 0.000 0.992 77 V HN 0.662 nan 8.190 nan 0.000 0.426 78 I N 1.756 122.365 120.570 0.063 0.000 2.945 78 I HA 0.598 4.786 4.170 0.030 0.000 0.292 78 I C -0.004 176.231 176.117 0.196 0.000 1.093 78 I CA -0.029 61.335 61.300 0.106 0.000 1.336 78 I CB 0.734 38.781 38.000 0.078 0.000 1.435 78 I HN 0.571 nan 8.210 nan 0.000 0.593 79 E N 1.616 121.917 120.200 0.169 0.000 2.392 79 E HA 0.778 5.146 4.350 0.030 0.000 0.269 79 E C -0.649 176.062 176.600 0.186 0.000 0.924 79 E CA -1.110 55.444 56.400 0.255 0.000 0.784 79 E CB 2.376 32.177 29.700 0.168 0.000 1.292 79 E HN 0.995 nan 8.360 nan 0.000 0.447 80 G N 1.184 110.230 108.800 0.411 0.000 2.523 80 G HA2 0.376 4.354 3.960 0.030 0.000 0.291 80 G HA3 0.376 4.354 3.960 0.030 0.000 0.291 80 G C -2.970 172.203 174.900 0.455 0.000 1.450 80 G CA -0.819 44.477 45.100 0.327 0.000 0.790 80 G HN 0.308 nan 8.290 nan 0.000 0.496 81 P HA 0.155 nan 4.420 nan 0.000 0.274 81 P C 1.342 178.877 177.300 0.391 0.000 1.256 81 P CA 0.406 63.657 63.100 0.252 0.000 0.795 81 P CB 0.940 32.743 31.700 0.173 0.000 1.038 82 T N -1.799 112.889 114.554 0.223 0.000 2.759 82 T HA -0.204 4.164 4.350 0.030 0.000 0.269 82 T C 1.455 176.329 174.700 0.291 0.000 1.042 82 T CA 1.330 63.565 62.100 0.225 0.000 1.140 82 T CB -0.823 68.112 68.868 0.112 0.000 0.864 82 T HN 0.495 nan 8.240 nan 0.000 0.455 83 E N 0.998 121.346 120.200 0.247 0.000 2.118 83 E HA -0.165 4.203 4.350 0.030 0.000 0.195 83 E C 1.933 178.692 176.600 0.266 0.000 0.992 83 E CA 1.095 57.628 56.400 0.220 0.000 0.804 83 E CB -0.885 28.925 29.700 0.183 0.000 0.741 83 E HN 0.644 nan 8.360 nan 0.000 0.458 84 F N 1.177 121.239 119.950 0.187 0.000 2.146 84 F HA -0.053 4.492 4.527 0.031 0.000 0.298 84 F C 1.911 177.735 175.800 0.040 0.000 1.096 84 F CA 0.915 58.973 58.000 0.096 0.000 1.275 84 F CB -0.270 38.750 39.000 0.034 0.000 1.008 84 F HN -0.177 nan 8.300 nan 0.000 0.480 85 F N 0.680 120.645 119.950 0.024 0.000 2.502 85 F HA -0.067 4.478 4.527 0.029 0.000 0.298 85 F C 2.079 177.860 175.800 -0.031 0.000 1.111 85 F CA 0.680 58.639 58.000 -0.069 0.000 1.445 85 F CB -0.835 38.203 39.000 0.063 0.000 1.081 85 F HN 0.021 nan 8.300 nan 0.000 0.558 86 N N -0.014 118.788 118.700 0.170 0.000 2.300 86 N HA -0.080 4.678 4.740 0.030 0.000 0.179 86 N C 2.128 177.709 175.510 0.118 0.000 1.016 86 N CA 0.978 54.113 53.050 0.141 0.000 0.876 86 N CB -0.369 38.204 38.487 0.142 0.000 0.979 86 N HN 0.141 nan 8.380 nan 0.000 0.432 87 V N 1.512 121.469 119.914 0.072 0.000 2.307 87 V HA -0.181 3.957 4.120 0.030 0.000 0.245 87 V C 2.638 178.820 176.094 0.148 0.000 1.045 87 V CA 2.173 64.559 62.300 0.143 0.000 1.024 87 V CB -1.199 30.677 31.823 0.088 0.000 0.651 87 V HN 0.469 nan 8.190 nan 0.000 0.449 88 T N -1.209 113.225 114.554 -0.200 0.000 2.881 88 T HA -0.258 4.110 4.350 0.030 0.000 0.270 88 T C 1.795 176.551 174.700 0.093 0.000 1.068 88 T CA 1.719 63.702 62.100 -0.195 0.000 1.131 88 T CB -0.244 68.334 68.868 -0.483 0.000 0.871 88 T HN 0.346 nan 8.240 nan 0.000 0.479 89 K N 1.264 121.726 120.400 0.104 0.000 2.057 89 K HA 0.011 4.349 4.320 0.030 0.000 0.206 89 K C 2.397 179.108 176.600 0.185 0.000 1.050 89 K CA 1.628 58.006 56.287 0.153 0.000 0.935 89 K CB -0.897 31.683 32.500 0.133 0.000 0.715 89 K HN 0.366 nan 8.250 nan 0.000 0.439 90 T N 0.361 115.026 114.554 0.185 0.000 2.746 90 T HA -0.072 4.295 4.350 0.030 0.000 0.267 90 T C 1.449 176.163 174.700 0.023 0.000 1.039 90 T CA 1.357 63.523 62.100 0.111 0.000 1.142 90 T CB -0.385 68.591 68.868 0.179 0.000 0.866 90 T HN 0.086 nan 8.240 nan 0.000 0.444 91 F N 0.869 120.842 119.950 0.039 0.000 2.126 91 F HA -0.092 4.452 4.527 0.029 0.000 0.299 91 F C 2.441 178.246 175.800 0.009 0.000 1.096 91 F CA 1.419 59.462 58.000 0.072 0.000 1.255 91 F CB -0.699 38.398 39.000 0.161 0.000 0.997 91 F HN 0.265 nan 8.300 nan 0.000 0.479 92 H N 0.363 119.536 119.070 0.172 0.000 2.290 92 H HA -0.154 4.419 4.556 0.030 0.000 0.298 92 H C 2.136 177.463 175.328 -0.002 0.000 1.087 92 H CA 2.322 58.427 56.048 0.095 0.000 1.291 92 H CB -0.429 29.387 29.762 0.091 0.000 1.369 92 H HN 0.051 nan 8.280 nan 0.000 0.492 93 N N 0.407 119.083 118.700 -0.040 0.000 2.120 93 N HA -0.150 4.608 4.740 0.030 0.000 0.188 93 N C 2.059 177.415 175.510 -0.256 0.000 1.024 93 N CA 1.277 54.241 53.050 -0.144 0.000 0.852 93 N CB -0.686 37.765 38.487 -0.061 0.000 1.003 93 N HN 0.524 nan 8.380 nan 0.000 0.424 94 A N 1.631 124.206 122.820 -0.408 0.000 1.883 94 A HA -0.066 4.272 4.320 0.030 0.000 0.217 94 A C 2.385 179.763 177.584 -0.344 0.000 1.186 94 A CA 1.026 52.687 52.037 -0.626 0.000 0.624 94 A CB -0.809 17.177 19.000 -1.690 0.000 0.822 94 A HN 0.216 nan 8.150 nan 0.000 0.444 95 L N -0.660 120.431 121.223 -0.220 0.000 2.275 95 L HA -0.165 4.193 4.340 0.030 0.000 0.215 95 L C 2.626 179.396 176.870 -0.167 0.000 1.119 95 L CA 0.710 55.502 54.840 -0.080 0.000 0.790 95 L CB -0.419 41.677 42.059 0.061 0.000 0.919 95 L HN 0.389 nan 8.230 nan 0.000 0.443 96 Q N -0.096 119.557 119.800 -0.245 0.000 2.230 96 Q HA -0.040 4.318 4.340 0.030 0.000 0.202 96 Q C 1.645 177.542 176.000 -0.171 0.000 0.963 96 Q CA 1.271 56.927 55.803 -0.245 0.000 0.866 96 Q CB 0.268 28.834 28.738 -0.287 0.000 0.931 96 Q HN 0.616 nan 8.270 nan 0.000 0.452 97 G N 0.655 109.359 108.800 -0.160 0.000 2.321 97 G HA2 -0.171 3.807 3.960 0.030 0.000 0.174 97 G HA3 -0.171 3.807 3.960 0.030 0.000 0.174 97 G C -0.092 174.742 174.900 -0.109 0.000 1.008 97 G CA -0.359 44.668 45.100 -0.122 0.000 0.739 97 G HN 0.194 nan 8.290 nan 0.000 0.502 98 N N 1.283 119.902 118.700 -0.135 0.000 2.405 98 N HA 0.214 4.972 4.740 0.030 0.000 0.260 98 N C 1.039 176.482 175.510 -0.112 0.000 1.152 98 N CA -0.019 52.964 53.050 -0.112 0.000 0.948 98 N CB 0.859 39.273 38.487 -0.123 0.000 1.111 98 N HN 0.227 nan 8.380 nan 0.000 0.485 99 E N 1.340 121.504 120.200 -0.060 0.000 2.371 99 E HA -0.070 4.298 4.350 0.030 0.000 0.194 99 E C 1.488 178.083 176.600 -0.008 0.000 1.012 99 E CA 0.396 56.778 56.400 -0.029 0.000 0.860 99 E CB 0.041 29.732 29.700 -0.016 0.000 0.811 99 E HN 0.733 nan 8.360 nan 0.000 0.502 100 S N 0.282 115.974 115.700 -0.014 0.000 2.453 100 S HA -0.022 4.465 4.470 0.030 0.000 0.231 100 S C 1.254 175.865 174.600 0.019 0.000 1.005 100 S CA 0.063 58.267 58.200 0.006 0.000 0.949 100 S CB -0.400 62.804 63.200 0.006 0.000 0.774 100 S HN 0.077 nan 8.310 nan 0.000 0.510 101 L N 1.749 122.967 121.223 -0.008 0.000 2.456 101 L HA 0.310 4.668 4.340 0.030 0.000 0.272 101 L C 0.165 177.156 176.870 0.200 0.000 1.189 101 L CA 0.095 54.950 54.840 0.025 0.000 0.846 101 L CB 0.305 42.258 42.059 -0.176 0.000 1.111 101 L HN 0.150 nan 8.230 nan 0.000 0.475 102 K N 3.514 124.061 120.400 0.245 0.000 2.324 102 K HA 0.439 4.777 4.320 0.030 0.000 0.253 102 K C -1.154 175.499 176.600 0.088 0.000 0.932 102 K CA -0.800 55.599 56.287 0.187 0.000 0.799 102 K CB 2.466 35.005 32.500 0.064 0.000 1.154 102 K HN 0.340 nan 8.250 nan 0.000 0.425 103 L N 4.716 125.732 121.223 -0.345 0.000 2.268 103 L HA 0.241 4.599 4.340 0.030 0.000 0.289 103 L C -0.133 176.507 176.870 -0.385 0.000 1.064 103 L CA 0.240 54.632 54.840 -0.747 0.000 0.824 103 L CB 0.240 41.354 42.059 -1.575 0.000 1.202 103 L HN 0.829 nan 8.230 nan 0.000 0.433 104 T N 1.080 115.505 114.554 -0.214 0.000 2.847 104 T HA 0.276 4.644 4.350 0.030 0.000 0.279 104 T C 0.963 175.575 174.700 -0.146 0.000 0.984 104 T CA -0.646 61.374 62.100 -0.134 0.000 0.988 104 T CB 1.321 70.162 68.868 -0.047 0.000 1.040 104 T HN 0.532 nan 8.240 nan 0.000 0.528 105 E N 0.036 120.179 120.200 -0.095 0.000 2.208 105 E HA -0.090 4.278 4.350 0.030 0.000 0.193 105 E C 1.851 178.441 176.600 -0.017 0.000 0.988 105 E CA 0.833 57.190 56.400 -0.071 0.000 0.828 105 E CB -0.160 29.516 29.700 -0.041 0.000 0.763 105 E HN 0.920 nan 8.360 nan 0.000 0.478 106 E N 0.445 120.647 120.200 0.004 0.000 2.072 106 E HA -0.121 4.246 4.350 0.030 0.000 0.190 106 E C 2.052 178.700 176.600 0.081 0.000 0.982 106 E CA 0.693 57.120 56.400 0.046 0.000 0.803 106 E CB 0.044 29.773 29.700 0.048 0.000 0.755 106 E HN 0.159 nan 8.360 nan 0.000 0.453 107 M N 0.499 120.142 119.600 0.071 0.000 2.086 107 M HA -0.161 4.337 4.480 0.030 0.000 0.261 107 M C 2.313 178.723 176.300 0.183 0.000 1.067 107 M CA 1.592 56.979 55.300 0.144 0.000 1.116 107 M CB -0.161 32.527 32.600 0.146 0.000 1.348 107 M HN -0.038 nan 8.290 nan 0.000 0.407 108 K N -0.003 120.416 120.400 0.031 0.000 2.097 108 K HA -0.204 4.134 4.320 0.030 0.000 0.206 108 K C 1.939 178.719 176.600 0.301 0.000 1.049 108 K CA 1.418 57.728 56.287 0.038 0.000 0.933 108 K CB -0.215 32.060 32.500 -0.374 0.000 0.717 108 K HN 0.410 nan 8.250 nan 0.000 0.442 109 E N 0.960 121.272 120.200 0.186 0.000 2.047 109 E HA -0.196 4.172 4.350 0.030 0.000 0.191 109 E C 2.027 178.750 176.600 0.204 0.000 0.987 109 E CA 0.709 57.222 56.400 0.187 0.000 0.799 109 E CB 0.035 29.804 29.700 0.116 0.000 0.752 109 E HN 0.093 nan 8.360 nan 0.000 0.449 110 L N 0.473 121.823 121.223 0.212 0.000 2.046 110 L HA -0.179 4.178 4.340 0.030 0.000 0.208 110 L C 2.184 179.242 176.870 0.313 0.000 1.077 110 L CA 1.879 56.855 54.840 0.227 0.000 0.747 110 L CB -0.990 41.216 42.059 0.245 0.000 0.896 110 L HN 0.283 nan 8.230 nan 0.000 0.432 111 Y N -0.241 120.223 120.300 0.274 0.000 2.097 111 Y HA -0.255 4.313 4.550 0.030 0.000 0.282 111 Y C 2.272 178.309 175.900 0.228 0.000 1.152 111 Y CA 2.198 60.498 58.100 0.334 0.000 1.136 111 Y CB -0.466 38.124 38.460 0.217 0.000 0.975 111 Y HN 0.191 nan 8.280 nan 0.000 0.498 112 L N 0.416 121.774 121.223 0.225 0.000 2.017 112 L HA -0.272 4.086 4.340 0.030 0.000 0.208 112 L C 2.608 179.463 176.870 -0.024 0.000 1.073 112 L CA 1.683 56.610 54.840 0.145 0.000 0.745 112 L CB -0.844 41.458 42.059 0.405 0.000 0.894 112 L HN 0.374 nan 8.230 nan 0.000 0.432 113 N N 0.396 119.101 118.700 0.008 0.000 2.069 113 N HA -0.176 4.582 4.740 0.030 0.000 0.191 113 N C 1.762 177.120 175.510 -0.252 0.000 1.031 113 N CA 1.809 54.807 53.050 -0.086 0.000 0.852 113 N CB -0.022 38.457 38.487 -0.012 0.000 1.018 113 N HN 0.106 nan 8.380 nan 0.000 0.423 114 V N 1.433 121.161 119.914 -0.309 0.000 2.307 114 V HA -0.188 3.950 4.120 0.030 0.000 0.245 114 V C 1.925 177.665 176.094 -0.590 0.000 1.045 114 V CA 1.719 63.696 62.300 -0.539 0.000 1.024 114 V CB -0.846 30.336 31.823 -1.068 0.000 0.651 114 V HN 0.333 nan 8.190 nan 0.000 0.449 115 N N 0.016 118.352 118.700 -0.607 0.000 2.104 115 N HA -0.214 4.543 4.740 0.030 0.000 0.190 115 N C 1.932 177.012 175.510 -0.717 0.000 1.024 115 N CA 1.594 54.312 53.050 -0.554 0.000 0.853 115 N CB -0.349 37.832 38.487 -0.510 0.000 1.008 115 N HN 0.407 nan 8.380 nan 0.000 0.424 116 R N 0.975 120.833 120.500 -1.070 0.000 2.073 116 R HA -0.116 4.242 4.340 0.030 0.000 0.234 116 R C 1.372 177.277 176.300 -0.657 0.000 1.134 116 R CA 1.254 56.510 56.100 -1.408 0.000 0.952 116 R CB 0.014 29.612 30.300 -1.169 0.000 0.850 116 R HN 0.186 nan 8.270 nan 0.000 0.433 117 E N 0.757 120.693 120.200 -0.441 0.000 2.058 117 E HA -0.185 4.183 4.350 0.030 0.000 0.194 117 E C 1.747 178.228 176.600 -0.197 0.000 0.997 117 E CA 1.537 57.778 56.400 -0.264 0.000 0.801 117 E CB -0.542 29.027 29.700 -0.219 0.000 0.746 117 E HN 0.452 nan 8.360 nan 0.000 0.450 118 N N 0.813 119.383 118.700 -0.216 0.000 2.223 118 N HA -0.125 4.633 4.740 0.030 0.000 0.185 118 N C 1.540 177.047 175.510 -0.004 0.000 1.016 118 N CA 1.419 54.416 53.050 -0.088 0.000 0.863 118 N CB -0.201 38.230 38.487 -0.094 0.000 0.983 118 N HN 0.106 nan 8.380 nan 0.000 0.429 119 S N -0.451 115.189 115.700 -0.101 0.000 2.727 119 S HA 0.095 4.583 4.470 0.030 0.000 0.226 119 S C 1.164 175.744 174.600 -0.034 0.000 0.963 119 S CA 0.402 58.584 58.200 -0.030 0.000 0.950 119 S CB -0.048 62.930 63.200 -0.371 0.000 0.779 119 S HN 0.219 nan 8.310 nan 0.000 0.532 120 K N -0.435 119.969 120.400 0.007 0.000 2.348 120 K HA 0.263 4.601 4.320 0.030 0.000 0.194 120 K C 0.531 177.225 176.600 0.157 0.000 1.052 120 K CA 0.068 56.382 56.287 0.044 0.000 1.004 120 K CB 0.002 32.506 32.500 0.006 0.000 0.873 120 K HN 0.415 nan 8.250 nan 0.000 0.523 121 F N 2.087 122.054 119.950 0.028 0.000 2.693 121 F HA 0.354 4.899 4.527 0.029 0.000 0.303 121 F C -0.055 175.790 175.800 0.074 0.000 1.143 121 F CA -0.278 57.753 58.000 0.053 0.000 1.389 121 F CB 0.140 39.178 39.000 0.063 0.000 1.060 121 F HN -0.161 nan 8.300 nan 0.000 0.535 122 I N -0.550 120.032 120.570 0.021 0.000 2.624 122 I HA 0.083 4.271 4.170 0.030 0.000 0.296 122 I C -1.801 174.386 176.117 0.116 0.000 1.792 122 I CA -0.663 60.613 61.300 -0.040 0.000 0.970 122 I CB 1.104 39.020 38.000 -0.140 0.000 1.502 122 I HN -0.301 nan 8.210 nan 0.000 0.549 123 D N 7.604 128.031 120.400 0.045 0.000 2.524 123 D HA 0.273 4.931 4.640 0.030 0.000 0.222 123 D C 1.136 177.395 176.300 -0.068 0.000 1.142 123 D CA -0.211 53.841 54.000 0.086 0.000 0.973 123 D CB 0.582 41.366 40.800 -0.027 0.000 1.025 123 D HN 0.595 nan 8.370 nan 0.000 0.519 124 L N 1.808 122.898 121.223 -0.222 0.000 2.187 124 L HA -0.217 4.140 4.340 0.030 0.000 0.213 124 L C 2.409 179.239 176.870 -0.066 0.000 1.100 124 L CA 1.122 55.832 54.840 -0.216 0.000 0.765 124 L CB -0.416 41.289 42.059 -0.590 0.000 0.904 124 L HN 0.319 nan 8.230 nan 0.000 0.437 125 S N -1.295 114.302 115.700 -0.172 0.000 2.515 125 S HA -0.095 4.393 4.470 0.030 0.000 0.231 125 S C 1.793 176.384 174.600 -0.015 0.000 0.987 125 S CA 0.661 58.921 58.200 0.100 0.000 0.936 125 S CB -0.390 62.887 63.200 0.128 0.000 0.766 125 S HN 0.506 nan 8.310 nan 0.000 0.528 126 S N 0.238 115.800 115.700 -0.228 0.000 2.754 126 S HA 0.349 4.837 4.470 0.030 0.000 0.223 126 S C -0.142 174.093 174.600 -0.608 0.000 0.951 126 S CA -0.813 57.138 58.200 -0.415 0.000 0.954 126 S CB -0.883 62.004 63.200 -0.522 0.000 0.780 126 S HN 0.417 nan 8.310 nan 0.000 0.509 127 F N 0.946 120.830 119.950 -0.110 0.000 2.556 127 F HA 0.473 5.018 4.527 0.030 0.000 0.327 127 F C 1.185 176.887 175.800 -0.164 0.000 1.059 127 F CA -1.318 56.613 58.000 -0.116 0.000 0.953 127 F CB 1.038 39.960 39.000 -0.131 0.000 1.227 127 F HN -0.105 nan 8.300 nan 0.000 0.478 128 D N 0.342 120.750 120.400 0.012 0.000 2.117 128 D HA -0.155 4.503 4.640 0.030 0.000 0.197 128 D C -0.539 175.332 176.300 -0.716 0.000 0.987 128 D CA 2.079 55.844 54.000 -0.391 0.000 0.829 128 D CB 0.000 40.566 40.800 -0.390 0.000 0.961 128 D HN 0.316 nan 8.370 nan 0.000 0.460 129 Y N -1.008 119.315 120.300 0.039 0.000 2.470 129 Y HA 0.428 4.996 4.550 0.030 0.000 0.341 129 Y C -0.467 175.351 175.900 -0.137 0.000 1.021 129 Y CA -1.004 57.079 58.100 -0.028 0.000 1.025 129 Y CB 2.032 40.477 38.460 -0.025 0.000 1.266 129 Y HN -0.416 nan 8.280 nan 0.000 0.448 130 V N 4.677 124.442 119.914 -0.248 0.000 2.448 130 V HA 0.455 4.593 4.120 0.030 0.000 0.295 130 V C -0.750 175.121 176.094 -0.371 0.000 1.025 130 V CA -0.805 61.134 62.300 -0.602 0.000 0.859 130 V CB 2.054 32.920 31.823 -1.594 0.000 0.988 130 V HN 0.722 nan 8.190 nan 0.000 0.431 131 L N 5.787 126.803 121.223 -0.345 0.000 2.343 131 L HA 0.648 5.005 4.340 0.030 0.000 0.278 131 L C -0.985 175.801 176.870 -0.139 0.000 0.996 131 L CA -0.495 54.200 54.840 -0.240 0.000 0.831 131 L CB 1.750 43.535 42.059 -0.457 0.000 1.232 131 L HN 0.452 nan 8.230 nan 0.000 0.413 132 V N 3.583 123.528 119.914 0.052 0.000 2.407 132 V HA 0.304 4.442 4.120 0.030 0.000 0.278 132 V C -0.586 175.506 176.094 -0.003 0.000 1.037 132 V CA -0.570 61.861 62.300 0.218 0.000 0.900 132 V CB 1.289 33.438 31.823 0.544 0.000 0.983 132 V HN 0.625 nan 8.190 nan 0.000 0.459 133 H N 3.301 122.425 119.070 0.089 0.000 2.488 133 H HA 0.552 5.126 4.556 0.029 0.000 0.322 133 H C -0.011 175.361 175.328 0.073 0.000 1.078 133 H CA -0.108 55.954 56.048 0.024 0.000 1.260 133 H CB 0.662 30.475 29.762 0.086 0.000 1.425 133 H HN 0.790 nan 8.280 nan 0.000 0.471 134 D N 1.570 121.970 120.400 0.001 0.000 9.143 134 D HA -0.168 4.489 4.640 0.030 0.000 0.348 134 D C -1.666 174.981 176.300 0.579 0.000 2.867 134 D CA -0.022 54.095 54.000 0.195 0.000 2.085 134 D CB -0.547 40.386 40.800 0.221 0.000 1.165 134 D HN 0.383 nan 8.370 nan 0.000 1.153 135 P HA -0.136 nan 4.420 nan 0.000 0.215 135 P C 1.284 178.791 177.300 0.344 0.000 1.153 135 P CA 2.104 65.489 63.100 0.475 0.000 0.853 135 P CB 0.121 32.051 31.700 0.383 0.000 0.788 136 Q N -0.163 119.798 119.800 0.267 0.000 2.082 136 Q HA -0.173 4.185 4.340 0.030 0.000 0.211 136 Q C -0.626 175.580 176.000 0.343 0.000 1.002 136 Q CA 2.550 58.506 55.803 0.254 0.000 0.868 136 Q CB -2.215 26.604 28.738 0.135 0.000 0.931 136 Q HN 0.441 nan 8.270 nan 0.000 0.414 137 P HA 0.309 nan 4.420 nan 0.000 0.278 137 P C -0.160 177.307 177.300 0.278 0.000 1.502 137 P CA 0.491 63.732 63.100 0.235 0.000 1.114 137 P CB 0.691 32.545 31.700 0.256 0.000 1.541 138 A N 1.365 124.371 122.820 0.310 0.000 1.978 138 A HA -0.090 4.248 4.320 0.030 0.000 0.220 138 A C 2.260 179.914 177.584 0.118 0.000 1.170 138 A CA 2.001 54.193 52.037 0.259 0.000 0.636 138 A CB -1.324 17.708 19.000 0.054 0.000 0.810 138 A HN 0.263 nan 8.150 nan 0.000 0.448 139 A N -0.479 122.165 122.820 -0.294 0.000 2.168 139 A HA 0.140 4.477 4.320 0.030 0.000 0.215 139 A C 1.969 179.603 177.584 0.084 0.000 1.152 139 A CA 0.954 52.658 52.037 -0.556 0.000 0.716 139 A CB -0.552 17.858 19.000 -0.984 0.000 0.794 139 A HN 0.500 nan 8.150 nan 0.000 0.465 140 L N -0.671 120.687 121.223 0.225 0.000 2.043 140 L HA -0.219 4.138 4.340 0.030 0.000 0.212 140 L C 2.401 179.529 176.870 0.429 0.000 1.075 140 L CA 1.627 56.728 54.840 0.435 0.000 0.752 140 L CB -0.572 41.815 42.059 0.546 0.000 0.891 140 L HN 0.497 nan 8.230 nan 0.000 0.432 141 I N -0.012 120.676 120.570 0.197 0.000 2.623 141 I HA -0.323 3.865 4.170 0.030 0.000 0.261 141 I C 2.382 178.313 176.117 -0.311 0.000 1.204 141 I CA 1.314 62.361 61.300 -0.421 0.000 1.444 141 I CB 0.020 37.591 38.000 -0.715 0.000 1.094 141 I HN 0.377 nan 8.210 nan 0.000 0.451 142 E N 0.164 120.276 120.200 -0.146 0.000 2.299 142 E HA -0.110 4.258 4.350 0.030 0.000 0.193 142 E C 0.433 176.669 176.600 -0.606 0.000 0.998 142 E CA 0.410 56.575 56.400 -0.392 0.000 0.851 142 E CB 0.118 29.539 29.700 -0.464 0.000 0.795 142 E HN 0.527 nan 8.360 nan 0.000 0.492 143 F N 0.194 120.042 119.950 -0.170 0.000 2.975 143 F HA 0.354 4.899 4.527 0.029 0.000 0.311 143 F C -0.961 174.513 175.800 -0.544 0.000 1.239 143 F CA -0.343 57.465 58.000 -0.319 0.000 1.282 143 F CB 0.183 38.955 39.000 -0.380 0.000 1.071 143 F HN -0.123 nan 8.300 nan 0.000 0.516 144 Y N -1.162 119.103 120.300 -0.058 0.000 2.592 144 Y HA 0.261 4.829 4.550 0.030 0.000 0.334 144 Y C -0.233 175.576 175.900 -0.152 0.000 1.136 144 Y CA -1.588 56.472 58.100 -0.067 0.000 1.042 144 Y CB 1.473 39.908 38.460 -0.042 0.000 1.325 144 Y HN -0.020 nan 8.280 nan 0.000 0.457 145 E N 2.399 122.660 120.200 0.101 0.000 1.996 145 E HA 0.114 4.482 4.350 0.030 0.000 0.280 145 E C -0.741 175.844 176.600 -0.025 0.000 1.092 145 E CA -0.523 55.876 56.400 -0.001 0.000 0.862 145 E CB 0.797 30.505 29.700 0.012 0.000 1.066 145 E HN 0.254 nan 8.360 nan 0.000 0.396 146 K N 3.565 123.887 120.400 -0.130 0.000 2.436 146 K HA -0.037 4.301 4.320 0.030 0.000 0.282 146 K C 0.252 176.824 176.600 -0.048 0.000 1.044 146 K CA 0.372 56.561 56.287 -0.163 0.000 1.028 146 K CB 0.262 32.573 32.500 -0.316 0.000 0.919 146 K HN 0.419 nan 8.250 nan 0.000 0.474 147 K N 1.331 121.748 120.400 0.029 0.000 2.895 147 K HA 0.151 4.489 4.320 0.030 0.000 0.200 147 K C -1.167 175.454 176.600 0.035 0.000 1.133 147 K CA -0.652 55.646 56.287 0.018 0.000 1.060 147 K CB 0.641 33.142 32.500 0.001 0.000 0.735 147 K HN 0.495 nan 8.250 nan 0.000 0.451 148 S N -0.895 114.865 115.700 0.100 0.000 2.627 148 S HA 0.402 4.890 4.470 0.030 0.000 0.268 148 S C -3.305 171.420 174.600 0.207 0.000 1.130 148 S CA -1.259 56.984 58.200 0.071 0.000 0.819 148 S CB 1.140 64.337 63.200 -0.005 0.000 1.100 148 S HN -0.087 nan 8.310 nan 0.000 0.465 149 P HA 0.318 nan 4.420 nan 0.000 0.268 149 P C -1.434 176.054 177.300 0.314 0.000 1.204 149 P CA 0.341 63.575 63.100 0.223 0.000 0.768 149 P CB 0.101 31.924 31.700 0.205 0.000 0.842 150 W N 3.895 125.251 121.300 0.092 0.000 2.600 150 W HA 0.389 5.066 4.660 0.029 0.000 0.325 150 W C -1.167 175.556 176.519 0.340 0.000 1.034 150 W CA -0.231 57.204 57.345 0.150 0.000 1.226 150 W CB 1.146 30.571 29.460 -0.058 0.000 1.379 150 W HN 0.085 nan 8.180 nan 0.000 0.466 151 L N 2.436 123.962 121.223 0.505 0.000 2.333 151 L HA 0.510 4.868 4.340 0.030 0.000 0.269 151 L C -0.926 176.167 176.870 0.371 0.000 1.010 151 L CA -1.112 53.972 54.840 0.407 0.000 0.818 151 L CB 1.247 43.425 42.059 0.199 0.000 1.306 151 L HN 0.551 nan 8.230 nan 0.000 0.430 152 W N 2.966 124.218 121.300 -0.080 0.000 2.656 152 W HA 0.616 5.294 4.660 0.030 0.000 0.327 152 W C -0.365 175.991 176.519 -0.271 0.000 1.041 152 W CA -0.744 56.383 57.345 -0.363 0.000 1.229 152 W CB 1.451 30.482 29.460 -0.715 0.000 1.397 152 W HN 0.479 nan 8.180 nan 0.000 0.479 153 R N 5.509 125.443 120.500 -0.944 0.000 2.343 153 R HA 0.493 4.851 4.340 0.030 0.000 0.320 153 R C -1.464 173.987 176.300 -1.415 0.000 0.956 153 R CA -0.531 55.002 56.100 -0.946 0.000 0.836 153 R CB 0.699 30.611 30.300 -0.646 0.000 1.151 153 R HN 0.535 nan 8.270 nan 0.000 0.450 154 C N 5.536 124.006 119.300 -1.384 0.000 2.265 154 C HA 0.430 4.908 4.460 0.030 0.000 0.332 154 C C 0.291 174.791 174.990 -0.816 0.000 1.248 154 C CA -0.429 57.889 59.018 -1.167 0.000 1.727 154 C CB -0.571 26.583 27.740 -0.978 0.000 2.348 154 C HN 1.020 nan 8.230 nan 0.000 0.519 155 H N 4.468 123.274 119.070 -0.440 0.000 2.586 155 H HA 0.276 4.849 4.556 0.029 0.000 0.273 155 H C 0.754 175.911 175.328 -0.285 0.000 0.997 155 H CA 0.199 56.033 56.048 -0.355 0.000 1.177 155 H CB 0.011 29.733 29.762 -0.066 0.000 1.471 155 H HN 0.778 nan 8.280 nan 0.000 0.538 156 I N -2.149 118.331 120.570 -0.150 0.000 2.793 156 I HA 0.329 4.517 4.170 0.030 0.000 0.313 156 I C -0.523 175.387 176.117 -0.345 0.000 0.998 156 I CA -1.137 60.105 61.300 -0.096 0.000 1.140 156 I CB 1.734 39.742 38.000 0.013 0.000 1.327 156 I HN -0.188 nan 8.210 nan 0.000 0.491 157 D N 5.255 125.450 120.400 -0.340 0.000 2.344 157 D HA 0.161 4.818 4.640 0.030 0.000 0.253 157 D C -0.273 175.578 176.300 -0.748 0.000 1.255 157 D CA 0.106 53.685 54.000 -0.702 0.000 0.894 157 D CB 1.683 42.364 40.800 -0.198 0.000 1.067 157 D HN 0.343 nan 8.370 nan 0.000 0.492 158 L N 3.361 123.884 121.223 -1.166 0.000 2.828 158 L HA 0.054 4.412 4.340 0.030 0.000 0.233 158 L C 1.346 177.982 176.870 -0.390 0.000 1.250 158 L CA 0.136 54.626 54.840 -0.583 0.000 1.125 158 L CB -0.163 41.665 42.059 -0.385 0.000 1.432 158 L HN 0.199 nan 8.230 nan 0.000 0.444 159 S N -1.055 114.512 115.700 -0.221 0.000 2.421 159 S HA 0.108 4.596 4.470 0.030 0.000 0.224 159 S C 0.831 175.372 174.600 -0.098 0.000 1.035 159 S CA -0.025 58.178 58.200 0.003 0.000 0.953 159 S CB 0.282 63.548 63.200 0.110 0.000 0.810 159 S HN 0.428 nan 8.310 nan 0.000 0.497 160 S N 2.914 118.535 115.700 -0.132 0.000 2.605 160 S HA 0.388 4.875 4.470 0.030 0.000 0.142 160 S C -2.855 171.674 174.600 -0.118 0.000 1.452 160 S CA -1.003 57.125 58.200 -0.120 0.000 1.240 160 S CB 1.415 64.558 63.200 -0.096 0.000 1.538 160 S HN 0.478 nan 8.310 nan 0.000 0.394 161 P HA 0.101 nan 4.420 nan 0.000 0.272 161 P C -0.408 176.892 177.300 -0.000 0.000 1.230 161 P CA -0.377 62.677 63.100 -0.077 0.000 0.788 161 P CB 0.490 32.150 31.700 -0.066 0.000 0.949 162 N N 1.082 119.789 118.700 0.012 0.000 2.429 162 N HA -0.051 4.707 4.740 0.030 0.000 0.271 162 N C 1.646 177.271 175.510 0.191 0.000 1.272 162 N CA -0.311 52.779 53.050 0.067 0.000 0.921 162 N CB 0.288 38.778 38.487 0.006 0.000 1.128 162 N HN 0.323 nan 8.380 nan 0.000 0.481 163 R N 3.352 123.946 120.500 0.157 0.000 2.136 163 R HA -0.306 4.052 4.340 0.030 0.000 0.242 163 R C 1.573 177.990 176.300 0.194 0.000 1.131 163 R CA 2.553 58.768 56.100 0.192 0.000 0.937 163 R CB -0.286 30.085 30.300 0.118 0.000 0.863 163 R HN 0.861 nan 8.270 nan 0.000 0.435 164 E N -0.828 119.451 120.200 0.131 0.000 2.160 164 E HA -0.212 4.156 4.350 0.030 0.000 0.195 164 E C 1.808 178.384 176.600 -0.040 0.000 0.991 164 E CA 1.313 57.720 56.400 0.012 0.000 0.810 164 E CB -0.419 29.232 29.700 -0.083 0.000 0.742 164 E HN 0.399 nan 8.360 nan 0.000 0.466 165 F N 0.510 120.439 119.950 -0.035 0.000 2.187 165 F HA 0.009 4.555 4.527 0.032 0.000 0.295 165 F C 2.338 178.223 175.800 0.142 0.000 1.091 165 F CA 1.014 58.961 58.000 -0.090 0.000 1.308 165 F CB -0.550 38.301 39.000 -0.249 0.000 1.030 165 F HN 0.175 nan 8.300 nan 0.000 0.487 166 W N 1.675 123.091 121.300 0.194 0.000 2.355 166 W HA -0.182 4.499 4.660 0.035 0.000 0.309 166 W C 1.705 178.284 176.519 0.101 0.000 1.206 166 W CA 1.324 58.752 57.345 0.139 0.000 1.284 166 W CB -0.067 29.442 29.460 0.082 0.000 1.145 166 W HN -0.046 nan 8.180 nan 0.000 0.502 167 E N 0.458 120.553 120.200 -0.175 0.000 2.160 167 E HA -0.236 4.131 4.350 0.030 0.000 0.195 167 E C 1.765 178.209 176.600 -0.260 0.000 0.991 167 E CA 1.412 57.612 56.400 -0.333 0.000 0.810 167 E CB -1.214 28.421 29.700 -0.108 0.000 0.742 167 E HN 0.362 nan 8.360 nan 0.000 0.466 168 F N 1.284 121.094 119.950 -0.233 0.000 2.113 168 F HA -0.137 4.407 4.527 0.029 0.000 0.297 168 F C 2.152 177.878 175.800 -0.123 0.000 1.103 168 F CA 0.848 58.757 58.000 -0.151 0.000 1.248 168 F CB -0.450 38.536 39.000 -0.025 0.000 0.999 168 F HN 0.043 nan 8.300 nan 0.000 0.475 169 L N 1.002 122.161 121.223 -0.106 0.000 2.046 169 L HA -0.114 4.244 4.340 0.030 0.000 0.208 169 L C 2.562 179.130 176.870 -0.502 0.000 1.077 169 L CA 1.678 56.436 54.840 -0.137 0.000 0.747 169 L CB -1.015 41.093 42.059 0.081 0.000 0.896 169 L HN 0.122 nan 8.230 nan 0.000 0.432 170 R N -0.293 119.620 120.500 -0.979 0.000 2.139 170 R HA -0.166 4.192 4.340 0.030 0.000 0.243 170 R C 2.258 178.196 176.300 -0.604 0.000 1.145 170 R CA 1.064 56.503 56.100 -1.102 0.000 0.976 170 R CB -0.246 29.232 30.300 -1.371 0.000 0.866 170 R HN 0.378 nan 8.270 nan 0.000 0.449 171 R N -0.404 119.731 120.500 -0.608 0.000 2.105 171 R HA -0.146 4.212 4.340 0.030 0.000 0.239 171 R C 2.141 178.094 176.300 -0.579 0.000 1.135 171 R CA 1.461 57.190 56.100 -0.617 0.000 0.967 171 R CB -0.520 29.280 30.300 -0.833 0.000 0.861 171 R HN 0.252 nan 8.270 nan 0.000 0.442 172 F N -0.561 119.217 119.950 -0.287 0.000 2.220 172 F HA -0.043 4.502 4.527 0.029 0.000 0.290 172 F C 2.514 178.303 175.800 -0.018 0.000 1.080 172 F CA 0.340 58.255 58.000 -0.142 0.000 1.318 172 F CB -1.017 37.915 39.000 -0.114 0.000 1.063 172 F HN -0.301 nan 8.300 nan 0.000 0.498 173 V N 0.315 120.179 119.914 -0.083 0.000 2.332 173 V HA -0.325 3.813 4.120 0.030 0.000 0.248 173 V C 2.306 178.526 176.094 0.210 0.000 1.055 173 V CA 2.233 64.419 62.300 -0.189 0.000 1.038 173 V CB -0.669 30.819 31.823 -0.559 0.000 0.651 173 V HN 0.360 nan 8.190 nan 0.000 0.450 174 E N -0.137 120.091 120.200 0.047 0.000 2.267 174 E HA -0.238 4.130 4.350 0.030 0.000 0.197 174 E C 2.124 178.867 176.600 0.239 0.000 0.998 174 E CA 0.994 57.482 56.400 0.147 0.000 0.830 174 E CB 0.004 29.687 29.700 -0.027 0.000 0.751 174 E HN 0.598 nan 8.360 nan 0.000 0.491 175 K N -0.543 119.967 120.400 0.185 0.000 2.296 175 K HA -0.047 4.291 4.320 0.030 0.000 0.200 175 K C 0.066 176.720 176.600 0.090 0.000 1.048 175 K CA 0.205 56.531 56.287 0.066 0.000 0.966 175 K CB 0.064 32.515 32.500 -0.082 0.000 0.754 175 K HN 0.079 nan 8.250 nan 0.000 0.466 176 Y N 1.771 122.178 120.300 0.177 0.000 2.385 176 Y HA -0.078 4.491 4.550 0.031 0.000 0.346 176 Y C 1.483 177.464 175.900 0.134 0.000 1.270 176 Y CA 0.016 58.252 58.100 0.227 0.000 1.472 176 Y CB 0.402 39.067 38.460 0.343 0.000 1.354 176 Y HN 0.012 nan 8.280 nan 0.000 0.611 177 D N 0.660 121.218 120.400 0.263 0.000 2.277 177 D HA -0.019 4.639 4.640 0.030 0.000 0.208 177 D C 0.249 176.518 176.300 -0.051 0.000 0.962 177 D CA 1.179 55.240 54.000 0.102 0.000 0.865 177 D CB 0.422 41.300 40.800 0.129 0.000 0.939 177 D HN 0.313 nan 8.370 nan 0.000 0.510 178 R N 0.080 120.560 120.500 -0.034 0.000 2.668 178 R HA 0.314 4.672 4.340 0.030 0.000 0.272 178 R C -1.475 174.760 176.300 -0.109 0.000 1.019 178 R CA -0.694 55.272 56.100 -0.223 0.000 0.894 178 R CB 1.304 31.588 30.300 -0.027 0.000 1.228 178 R HN -0.048 nan 8.270 nan 0.000 0.460 179 Y N 0.998 121.452 120.300 0.256 0.000 2.338 179 Y HA 0.628 5.195 4.550 0.029 0.000 0.333 179 Y C 0.257 176.190 175.900 0.055 0.000 0.968 179 Y CA -0.969 57.263 58.100 0.220 0.000 1.123 179 Y CB 1.304 40.038 38.460 0.458 0.000 1.165 179 Y HN 0.321 nan 8.280 nan 0.000 0.452 180 I N 4.617 125.108 120.570 -0.132 0.000 2.378 180 I HA 0.478 4.666 4.170 0.030 0.000 0.291 180 I C -1.027 174.804 176.117 -0.477 0.000 0.992 180 I CA -0.506 60.697 61.300 -0.161 0.000 1.154 180 I CB 0.841 38.765 38.000 -0.126 0.000 1.315 180 I HN 0.429 nan 8.210 nan 0.000 0.448 181 F N 2.940 122.918 119.950 0.046 0.000 2.598 181 F HA 0.428 4.972 4.527 0.029 0.000 0.327 181 F C 1.220 177.097 175.800 0.129 0.000 1.057 181 F CA -0.693 57.339 58.000 0.054 0.000 0.957 181 F CB 0.695 39.786 39.000 0.152 0.000 1.278 181 F HN 0.346 nan 8.300 nan 0.000 0.484 182 H N 0.469 119.705 119.070 0.276 0.000 2.395 182 H HA 0.262 4.835 4.556 0.028 0.000 0.299 182 H C -0.086 175.227 175.328 -0.024 0.000 1.070 182 H CA 1.242 57.338 56.048 0.081 0.000 1.356 182 H CB 0.012 29.893 29.762 0.198 0.000 1.401 182 H HN 0.182 nan 8.280 nan 0.000 0.524 183 L N -0.399 120.812 121.223 -0.020 0.000 2.388 183 L HA 0.243 4.601 4.340 0.030 0.000 0.264 183 L C -1.651 175.059 176.870 -0.266 0.000 0.998 183 L CA -2.063 52.600 54.840 -0.295 0.000 0.817 183 L CB 2.993 44.645 42.059 -0.678 0.000 1.338 183 L HN -0.179 nan 8.230 nan 0.000 0.414 184 P HA -0.210 nan 4.420 nan 0.000 0.217 184 P C 0.994 178.176 177.300 -0.197 0.000 1.148 184 P CA 1.166 64.166 63.100 -0.166 0.000 0.828 184 P CB 0.148 31.754 31.700 -0.157 0.000 0.783 185 E N -2.040 118.009 120.200 -0.252 0.000 2.478 185 E HA -0.171 4.197 4.350 0.030 0.000 0.198 185 E C 0.723 177.267 176.600 -0.093 0.000 1.046 185 E CA 0.777 57.062 56.400 -0.190 0.000 0.870 185 E CB -0.648 28.941 29.700 -0.184 0.000 0.818 185 E HN 0.294 nan 8.360 nan 0.000 0.527 186 Y N 0.829 120.993 120.300 -0.227 0.000 2.500 186 Y HA 0.179 4.746 4.550 0.027 0.000 0.270 186 Y C 0.841 176.287 175.900 -0.758 0.000 1.134 186 Y CA -0.964 56.928 58.100 -0.347 0.000 1.293 186 Y CB 0.341 38.716 38.460 -0.141 0.000 1.063 186 Y HN -0.141 nan 8.280 nan 0.000 0.534 187 V N 3.432 123.000 119.914 -0.576 0.000 2.381 187 V HA 0.014 4.151 4.120 0.030 0.000 0.257 187 V C 0.381 176.224 176.094 -0.419 0.000 1.057 187 V CA -0.703 61.162 62.300 -0.725 0.000 1.013 187 V CB -0.355 31.244 31.823 -0.375 0.000 1.069 187 V HN 0.125 nan 8.190 nan 0.000 0.484 188 Q N 7.616 127.144 119.800 -0.453 0.000 2.349 188 Q HA 0.060 4.417 4.340 0.030 0.000 0.287 188 Q C -1.018 174.936 176.000 -0.077 0.000 1.044 188 Q CA -1.291 54.358 55.803 -0.256 0.000 0.918 188 Q CB 0.567 29.142 28.738 -0.273 0.000 1.242 188 Q HN 0.435 nan 8.270 nan 0.000 0.405 189 P HA -0.166 nan 4.420 nan 0.000 0.219 189 P C 0.164 177.490 177.300 0.044 0.000 1.146 189 P CA 1.228 64.330 63.100 0.003 0.000 0.808 189 P CB 0.468 32.168 31.700 0.001 0.000 0.779 190 E N -0.110 120.146 120.200 0.094 0.000 2.204 190 E HA -0.031 4.337 4.350 0.030 0.000 0.194 190 E C 0.980 177.616 176.600 0.059 0.000 0.989 190 E CA 0.367 56.818 56.400 0.085 0.000 0.824 190 E CB -0.623 29.146 29.700 0.114 0.000 0.756 190 E HN 0.335 nan 8.360 nan 0.000 0.477 191 L N 1.434 122.688 121.223 0.052 0.000 2.436 191 L HA 0.099 4.457 4.340 0.030 0.000 0.265 191 L C 0.557 177.501 176.870 0.123 0.000 1.168 191 L CA -0.500 54.344 54.840 0.007 0.000 0.815 191 L CB 0.359 42.323 42.059 -0.159 0.000 1.109 191 L HN 0.005 nan 8.230 nan 0.000 0.462 192 D N 1.833 122.389 120.400 0.261 0.000 2.352 192 D HA 0.044 4.702 4.640 0.030 0.000 0.245 192 D C 1.099 177.586 176.300 0.312 0.000 1.224 192 D CA -0.040 54.117 54.000 0.263 0.000 0.879 192 D CB 0.765 41.727 40.800 0.271 0.000 1.057 192 D HN 0.391 nan 8.370 nan 0.000 0.491 193 R N 2.838 123.453 120.500 0.193 0.000 2.211 193 R HA -0.117 4.241 4.340 0.030 0.000 0.240 193 R C 1.137 177.527 176.300 0.149 0.000 1.144 193 R CA 0.688 56.887 56.100 0.166 0.000 0.992 193 R CB 0.069 30.423 30.300 0.090 0.000 0.869 193 R HN 0.455 nan 8.270 nan 0.000 0.462 194 N N 0.682 119.458 118.700 0.127 0.000 2.512 194 N HA -0.074 4.684 4.740 0.030 0.000 0.183 194 N C 0.787 176.338 175.510 0.069 0.000 1.073 194 N CA 0.967 54.067 53.050 0.084 0.000 0.911 194 N CB 0.262 38.788 38.487 0.065 0.000 0.964 194 N HN 0.305 nan 8.380 nan 0.000 0.447 195 K N -0.240 120.218 120.400 0.095 0.000 2.374 195 K HA 0.282 4.620 4.320 0.030 0.000 0.202 195 K C 0.147 176.686 176.600 -0.101 0.000 1.040 195 K CA -0.215 56.022 56.287 -0.084 0.000 1.085 195 K CB 1.150 33.499 32.500 -0.253 0.000 0.873 195 K HN -0.038 nan 8.250 nan 0.000 0.539 196 A N 1.438 124.407 122.820 0.249 0.000 2.327 196 A HA 0.517 4.855 4.320 0.030 0.000 0.283 196 A C -0.282 177.451 177.584 0.247 0.000 1.127 196 A CA -0.312 51.992 52.037 0.446 0.000 0.810 196 A CB 0.663 19.933 19.000 0.449 0.000 1.066 196 A HN -0.031 nan 8.150 nan 0.000 0.492 197 V N 3.329 123.407 119.914 0.274 0.000 2.789 197 V HA 0.374 4.512 4.120 0.030 0.000 0.311 197 V C -0.754 175.443 176.094 0.172 0.000 1.073 197 V CA -0.610 61.780 62.300 0.150 0.000 0.921 197 V CB 1.893 33.760 31.823 0.074 0.000 1.009 197 V HN 0.713 nan 8.190 nan 0.000 0.426 198 I N 4.627 125.252 120.570 0.092 0.000 2.328 198 I HA 0.489 4.677 4.170 0.030 0.000 0.287 198 I C -0.269 175.859 176.117 0.018 0.000 1.012 198 I CA -0.192 61.153 61.300 0.074 0.000 1.195 198 I CB 1.100 39.108 38.000 0.012 0.000 1.350 198 I HN 0.551 nan 8.210 nan 0.000 0.464 199 M N 8.875 128.483 119.600 0.014 0.000 2.053 199 M HA 0.341 4.839 4.480 0.030 0.000 0.297 199 M C -2.500 173.749 176.300 -0.084 0.000 0.921 199 M CA -1.571 53.704 55.300 -0.043 0.000 0.918 199 M CB 2.655 35.192 32.600 -0.105 0.000 1.499 199 M HN 0.194 nan 8.290 nan 0.000 0.422 200 P HA 0.260 nan 4.420 nan 0.000 0.274 200 P C -2.791 174.056 177.300 -0.756 0.000 1.231 200 P CA -1.059 61.658 63.100 -0.638 0.000 0.790 200 P CB -0.159 31.125 31.700 -0.694 0.000 0.951 201 P HA 0.042 nan 4.420 nan 0.000 0.272 201 P C -0.178 176.763 177.300 -0.597 0.000 1.240 201 P CA 0.135 62.739 63.100 -0.826 0.000 0.791 201 P CB 0.512 31.729 31.700 -0.805 0.000 0.978 202 S N -0.020 115.413 115.700 -0.445 0.000 2.709 202 S HA 0.790 5.278 4.470 0.030 0.000 0.302 202 S C -0.023 174.476 174.600 -0.168 0.000 1.127 202 S CA -0.909 57.139 58.200 -0.253 0.000 0.905 202 S CB 0.987 64.028 63.200 -0.266 0.000 1.151 202 S HN 0.512 nan 8.310 nan 0.000 0.510 203 I N -1.158 119.337 120.570 -0.125 0.000 2.603 203 I HA 0.690 4.878 4.170 0.030 0.000 0.300 203 I C -1.317 174.695 176.117 -0.176 0.000 1.017 203 I CA -0.644 60.579 61.300 -0.128 0.000 1.098 203 I CB 1.792 39.718 38.000 -0.124 0.000 1.279 203 I HN 0.551 nan 8.210 nan 0.000 0.437 204 D N 6.331 126.662 120.400 -0.115 0.000 2.412 204 D HA 0.405 5.062 4.640 0.030 0.000 0.224 204 D C -1.912 174.358 176.300 -0.051 0.000 1.093 204 D CA -2.504 51.463 54.000 -0.054 0.000 0.850 204 D CB 1.927 42.745 40.800 0.029 0.000 1.046 204 D HN 0.290 nan 8.370 nan 0.000 0.507 205 P HA -0.096 nan 4.420 nan 0.000 0.220 205 P C 1.031 178.401 177.300 0.116 0.000 1.144 205 P CA 1.003 64.069 63.100 -0.057 0.000 0.800 205 P CB 0.241 31.927 31.700 -0.022 0.000 0.772 206 L N -2.022 119.260 121.223 0.099 0.000 2.607 206 L HA 0.116 4.474 4.340 0.030 0.000 0.228 206 L C 1.242 178.138 176.870 0.042 0.000 1.123 206 L CA -0.131 54.730 54.840 0.035 0.000 0.890 206 L CB -0.420 41.591 42.059 -0.081 0.000 1.103 206 L HN -0.011 nan 8.230 nan 0.000 0.468 207 S N -0.961 114.770 115.700 0.053 0.000 2.600 207 S HA 0.065 4.553 4.470 0.030 0.000 0.265 207 S C 1.151 175.776 174.600 0.042 0.000 1.325 207 S CA -0.616 57.608 58.200 0.040 0.000 1.002 207 S CB 1.110 64.329 63.200 0.031 0.000 0.921 207 S HN 0.081 nan 8.310 nan 0.000 0.554 208 E N 0.809 121.028 120.200 0.032 0.000 2.160 208 E HA -0.159 4.209 4.350 0.030 0.000 0.195 208 E C 1.704 178.329 176.600 0.040 0.000 0.991 208 E CA 1.346 57.765 56.400 0.032 0.000 0.810 208 E CB -0.326 29.388 29.700 0.024 0.000 0.742 208 E HN 0.772 nan 8.360 nan 0.000 0.466 209 K N 0.801 121.228 120.400 0.046 0.000 2.217 209 K HA -0.014 4.324 4.320 0.030 0.000 0.202 209 K C 1.276 177.927 176.600 0.085 0.000 1.051 209 K CA 1.042 57.362 56.287 0.055 0.000 0.952 209 K CB 0.220 32.751 32.500 0.052 0.000 0.736 209 K HN 0.002 nan 8.250 nan 0.000 0.453 210 N N -0.387 118.375 118.700 0.103 0.000 2.273 210 N HA 0.001 4.759 4.740 0.030 0.000 0.192 210 N C -0.409 175.246 175.510 0.241 0.000 1.132 210 N CA -0.023 53.142 53.050 0.192 0.000 0.887 210 N CB 0.523 39.087 38.487 0.128 0.000 1.048 210 N HN -0.005 nan 8.380 nan 0.000 0.490 211 V N 2.351 122.355 119.914 0.150 0.000 2.788 211 V HA -0.078 4.060 4.120 0.030 0.000 0.307 211 V C 0.591 176.756 176.094 0.119 0.000 1.069 211 V CA -0.014 62.367 62.300 0.135 0.000 1.173 211 V CB 0.560 32.426 31.823 0.072 0.000 0.925 211 V HN 0.210 nan 8.190 nan 0.000 0.492 212 E N 5.613 125.878 120.200 0.108 0.000 2.299 212 E HA 0.252 4.620 4.350 0.030 0.000 0.272 212 E C -0.597 176.023 176.600 0.033 0.000 1.043 212 E CA -0.333 56.101 56.400 0.056 0.000 0.895 212 E CB 0.535 30.253 29.700 0.029 0.000 1.011 212 E HN 0.655 nan 8.360 nan 0.000 0.432 213 L N 4.167 125.403 121.223 0.021 0.000 2.421 213 L HA 0.346 4.704 4.340 0.030 0.000 0.263 213 L C 0.494 177.367 176.870 0.006 0.000 1.122 213 L CA -0.635 54.211 54.840 0.011 0.000 0.804 213 L CB 0.962 43.022 42.059 0.001 0.000 1.150 213 L HN 0.439 nan 8.230 nan 0.000 0.457 214 K N 0.793 121.196 120.400 0.005 0.000 2.144 214 K HA 0.105 4.443 4.320 0.030 0.000 0.270 214 K C 0.394 176.996 176.600 0.005 0.000 1.005 214 K CA -0.563 55.727 56.287 0.004 0.000 0.932 214 K CB 1.448 33.951 32.500 0.005 0.000 1.021 214 K HN 0.366 nan 8.250 nan 0.000 0.462 215 Q N 1.487 121.290 119.800 0.005 0.000 2.156 215 Q HA -0.238 4.120 4.340 0.030 0.000 0.211 215 Q C 1.734 177.741 176.000 0.012 0.000 0.995 215 Q CA 2.898 58.706 55.803 0.009 0.000 0.877 215 Q CB -0.563 28.180 28.738 0.008 0.000 0.920 215 Q HN 0.910 nan 8.270 nan 0.000 0.416 216 T N -2.223 112.337 114.554 0.010 0.000 2.720 216 T HA -0.207 4.161 4.350 0.030 0.000 0.268 216 T C 1.709 176.418 174.700 0.014 0.000 1.037 216 T CA 1.508 63.615 62.100 0.012 0.000 1.144 216 T CB -0.439 68.435 68.868 0.010 0.000 0.864 216 T HN 0.540 nan 8.240 nan 0.000 0.444 217 E N 0.610 120.817 120.200 0.011 0.000 2.152 217 E HA -0.018 4.350 4.350 0.030 0.000 0.192 217 E C 2.160 178.766 176.600 0.009 0.000 0.983 217 E CA 0.630 57.036 56.400 0.011 0.000 0.818 217 E CB -0.233 29.471 29.700 0.006 0.000 0.758 217 E HN 0.640 nan 8.360 nan 0.000 0.467 218 I N 0.809 121.383 120.570 0.007 0.000 2.252 218 I HA -0.269 3.918 4.170 0.030 0.000 0.245 218 I C 2.282 178.418 176.117 0.033 0.000 1.102 218 I CA 0.807 62.110 61.300 0.006 0.000 1.385 218 I CB -0.147 37.858 38.000 0.010 0.000 1.064 218 I HN 0.200 nan 8.210 nan 0.000 0.414 219 L N 0.236 121.481 121.223 0.037 0.000 2.141 219 L HA -0.186 4.172 4.340 0.030 0.000 0.209 219 L C 2.736 179.641 176.870 0.058 0.000 1.094 219 L CA 1.139 56.010 54.840 0.051 0.000 0.763 219 L CB -0.558 41.524 42.059 0.037 0.000 0.908 219 L HN 0.229 nan 8.230 nan 0.000 0.437 220 R N 0.706 121.233 120.500 0.045 0.000 2.092 220 R HA -0.134 4.224 4.340 0.030 0.000 0.231 220 R C 2.249 178.593 176.300 0.074 0.000 1.119 220 R CA 1.328 57.454 56.100 0.044 0.000 0.970 220 R CB -0.122 30.196 30.300 0.030 0.000 0.864 220 R HN 0.286 nan 8.270 nan 0.000 0.440 221 I N 0.530 121.153 120.570 0.089 0.000 2.286 221 I HA -0.259 3.929 4.170 0.030 0.000 0.245 221 I C 2.070 178.373 176.117 0.309 0.000 1.104 221 I CA 0.924 62.324 61.300 0.166 0.000 1.397 221 I CB -0.121 37.885 38.000 0.010 0.000 1.072 221 I HN 0.212 nan 8.210 nan 0.000 0.417 222 L N 0.088 121.448 121.223 0.227 0.000 2.046 222 L HA -0.206 4.152 4.340 0.030 0.000 0.208 222 L C 2.631 179.648 176.870 0.245 0.000 1.077 222 L CA 1.262 56.279 54.840 0.296 0.000 0.747 222 L CB -0.700 41.477 42.059 0.196 0.000 0.896 222 L HN 0.264 nan 8.230 nan 0.000 0.432 223 E N 0.166 120.452 120.200 0.143 0.000 2.110 223 E HA -0.217 4.151 4.350 0.030 0.000 0.193 223 E C 2.231 178.850 176.600 0.031 0.000 0.988 223 E CA 0.917 57.364 56.400 0.078 0.000 0.804 223 E CB -0.133 29.592 29.700 0.042 0.000 0.745 223 E HN 0.318 nan 8.360 nan 0.000 0.458 224 R N -0.629 119.868 120.500 -0.005 0.000 2.120 224 R HA -0.094 4.264 4.340 0.030 0.000 0.234 224 R C 1.016 177.037 176.300 -0.464 0.000 1.123 224 R CA 0.879 56.825 56.100 -0.256 0.000 0.975 224 R CB -0.018 30.058 30.300 -0.374 0.000 0.866 224 R HN 0.087 nan 8.270 nan 0.000 0.446 225 F N 0.020 120.051 119.950 0.135 0.000 2.647 225 F HA 0.160 4.706 4.527 0.033 0.000 0.300 225 F C 0.015 175.869 175.800 0.089 0.000 1.106 225 F CA -0.311 57.769 58.000 0.134 0.000 1.313 225 F CB 0.247 39.384 39.000 0.228 0.000 1.007 225 F HN 0.022 nan 8.300 nan 0.000 0.536 226 D N 1.027 121.521 120.400 0.156 0.000 2.699 226 D HA -0.179 4.479 4.640 0.030 0.000 0.239 226 D C -1.066 175.311 176.300 0.128 0.000 1.136 226 D CA 0.256 54.323 54.000 0.112 0.000 0.668 226 D CB -0.854 39.994 40.800 0.080 0.000 1.060 226 D HN 0.037 nan 8.370 nan 0.000 0.429 227 V N 1.350 121.361 119.914 0.163 0.000 2.370 227 V HA 0.338 4.476 4.120 0.030 0.000 0.283 227 V C 0.284 176.448 176.094 0.116 0.000 1.023 227 V CA -0.702 61.681 62.300 0.138 0.000 0.857 227 V CB 1.724 33.662 31.823 0.190 0.000 0.985 227 V HN 0.238 nan 8.190 nan 0.000 0.443 228 D N 7.846 128.298 120.400 0.087 0.000 2.380 228 D HA 0.288 4.946 4.640 0.030 0.000 0.230 228 D C -1.191 175.150 176.300 0.069 0.000 1.154 228 D CA -2.093 51.950 54.000 0.071 0.000 0.859 228 D CB 1.987 42.822 40.800 0.058 0.000 1.045 228 D HN 0.255 nan 8.370 nan 0.000 0.495 229 P HA -0.080 nan 4.420 nan 0.000 0.226 229 P C 0.511 177.839 177.300 0.046 0.000 1.153 229 P CA 0.547 63.683 63.100 0.061 0.000 0.777 229 P CB 0.616 32.352 31.700 0.060 0.000 0.794 230 E N 0.162 120.386 120.200 0.041 0.000 2.502 230 E HA 0.080 4.448 4.350 0.030 0.000 0.194 230 E C 0.504 177.122 176.600 0.030 0.000 1.062 230 E CA 0.488 56.906 56.400 0.031 0.000 0.867 230 E CB 0.057 29.773 29.700 0.026 0.000 0.888 230 E HN 0.452 nan 8.360 nan 0.000 0.510 231 K N 0.587 121.010 120.400 0.039 0.000 2.340 231 K HA 0.419 4.757 4.320 0.030 0.000 0.244 231 K C -2.718 173.909 176.600 0.045 0.000 0.973 231 K CA -2.348 53.962 56.287 0.039 0.000 0.828 231 K CB 1.673 34.201 32.500 0.046 0.000 1.226 231 K HN -0.245 nan 8.250 nan 0.000 0.437 232 P HA 0.061 nan 4.420 nan 0.000 0.266 232 P C -0.880 176.459 177.300 0.064 0.000 1.195 232 P CA 0.372 63.501 63.100 0.048 0.000 0.768 232 P CB 0.378 32.103 31.700 0.043 0.000 0.838 233 I N 3.927 124.533 120.570 0.061 0.000 2.478 233 I HA 0.412 4.600 4.170 0.030 0.000 0.287 233 I C 0.110 176.262 176.117 0.058 0.000 1.042 233 I CA -0.908 60.428 61.300 0.060 0.000 1.067 233 I CB 1.507 39.541 38.000 0.057 0.000 1.233 233 I HN 0.245 nan 8.210 nan 0.000 0.431 234 I N 2.340 122.945 120.570 0.059 0.000 2.530 234 I HA 0.798 4.986 4.170 0.030 0.000 0.297 234 I C -0.817 175.312 176.117 0.021 0.000 1.011 234 I CA -0.166 61.167 61.300 0.055 0.000 1.107 234 I CB 2.334 40.383 38.000 0.083 0.000 1.285 234 I HN 0.379 nan 8.210 nan 0.000 0.436 235 T N 4.281 118.847 114.554 0.019 0.000 2.916 235 T HA 0.378 4.746 4.350 0.030 0.000 0.305 235 T C -1.261 173.434 174.700 -0.007 0.000 1.119 235 T CA -0.566 61.531 62.100 -0.006 0.000 1.008 235 T CB 2.021 70.896 68.868 0.012 0.000 1.129 235 T HN 0.763 nan 8.240 nan 0.000 0.480 236 Q N 2.059 121.838 119.800 -0.035 0.000 2.274 236 Q HA 0.642 5.000 4.340 0.030 0.000 0.268 236 Q C -1.807 174.147 176.000 -0.076 0.000 1.015 236 Q CA -0.627 55.148 55.803 -0.047 0.000 0.775 236 Q CB 1.511 30.213 28.738 -0.059 0.000 1.256 236 Q HN 0.494 nan 8.270 nan 0.000 0.442 237 V N 3.387 123.266 119.914 -0.058 0.000 2.398 237 V HA 0.783 4.921 4.120 0.030 0.000 0.286 237 V C -0.387 175.647 176.094 -0.101 0.000 1.026 237 V CA -0.109 62.154 62.300 -0.062 0.000 0.868 237 V CB 0.998 32.819 31.823 -0.003 0.000 0.982 237 V HN 0.895 nan 8.190 nan 0.000 0.443 238 S N 4.087 119.686 115.700 -0.169 0.000 2.686 238 S HA 0.467 4.955 4.470 0.030 0.000 0.273 238 S C -0.876 173.565 174.600 -0.265 0.000 1.060 238 S CA -1.093 56.998 58.200 -0.183 0.000 0.845 238 S CB 1.306 64.391 63.200 -0.192 0.000 1.086 238 S HN 0.866 nan 8.310 nan 0.000 0.461 239 R N 0.043 120.444 120.500 -0.166 0.000 2.694 239 R HA 0.444 4.802 4.340 0.030 0.000 0.268 239 R C -1.207 174.975 176.300 -0.198 0.000 1.061 239 R CA -0.299 55.731 56.100 -0.118 0.000 1.133 239 R CB 0.081 30.344 30.300 -0.062 0.000 1.020 239 R HN 0.552 nan 8.270 nan 0.000 0.475 240 F N 3.131 123.018 119.950 -0.106 0.000 2.421 240 F HA 0.212 4.765 4.527 0.044 0.000 0.358 240 F C -0.044 175.696 175.800 -0.101 0.000 1.115 240 F CA 0.184 58.186 58.000 0.004 0.000 1.160 240 F CB 0.814 39.893 39.000 0.131 0.000 1.123 240 F HN 0.664 nan 8.300 nan 0.000 0.508 241 D N 3.299 123.532 120.400 -0.278 0.000 2.653 241 D HA 0.266 4.924 4.640 0.030 0.000 0.258 241 D C -2.689 172.750 176.300 -1.435 0.000 1.252 241 D CA -1.687 51.873 54.000 -0.733 0.000 0.777 241 D CB 1.888 42.486 40.800 -0.338 0.000 1.339 241 D HN 0.090 nan 8.370 nan 0.000 0.422 242 P HA 0.019 nan 4.420 nan 0.000 0.234 242 P C -0.131 176.339 177.300 -1.384 0.000 1.167 242 P CA 0.684 62.716 63.100 -1.780 0.000 0.763 242 P CB -0.081 30.583 31.700 -1.726 0.000 0.835 243 W N -0.176 120.914 121.300 -0.350 0.000 2.926 243 W HA 0.316 4.966 4.660 -0.016 0.000 0.419 243 W C 1.231 177.648 176.519 -0.170 0.000 0.993 243 W CA -0.555 56.665 57.345 -0.207 0.000 2.025 243 W CB 0.450 29.815 29.460 -0.157 0.000 1.152 243 W HN -0.256 nan 8.180 nan 0.000 0.659 244 K N 0.275 120.606 120.400 -0.115 0.000 2.373 244 K HA 0.245 4.583 4.320 0.030 0.000 0.202 244 K C 1.360 177.920 176.600 -0.066 0.000 1.025 244 K CA 0.358 56.594 56.287 -0.085 0.000 1.115 244 K CB 0.565 32.974 32.500 -0.152 0.000 0.858 244 K HN 0.201 nan 8.250 nan 0.000 0.525 245 G N 2.187 110.955 108.800 -0.054 0.000 2.179 245 G HA2 -0.295 3.683 3.960 0.030 0.000 0.257 245 G HA3 -0.295 3.683 3.960 0.030 0.000 0.257 245 G C 0.953 175.869 174.900 0.027 0.000 1.010 245 G CA 0.553 45.650 45.100 -0.004 0.000 0.736 245 G HN 0.363 nan 8.290 nan 0.000 0.513 246 I N -0.738 119.842 120.570 0.017 0.000 2.226 246 I HA -0.134 4.054 4.170 0.030 0.000 0.245 246 I C 2.452 178.766 176.117 0.328 0.000 1.100 246 I CA 1.279 62.657 61.300 0.129 0.000 1.374 246 I CB -0.342 37.761 38.000 0.172 0.000 1.057 246 I HN 0.197 nan 8.210 nan 0.000 0.413 247 F N 0.980 120.968 119.950 0.063 0.000 2.234 247 F HA -0.165 4.378 4.527 0.028 0.000 0.299 247 F C 2.290 178.109 175.800 0.032 0.000 1.087 247 F CA 0.841 58.865 58.000 0.041 0.000 1.340 247 F CB -1.061 37.964 39.000 0.042 0.000 1.031 247 F HN 0.148 nan 8.300 nan 0.000 0.500 248 D N -0.035 120.497 120.400 0.221 0.000 2.117 248 D HA -0.119 4.538 4.640 0.030 0.000 0.198 248 D C 2.565 178.930 176.300 0.108 0.000 0.982 248 D CA 1.034 55.112 54.000 0.130 0.000 0.828 248 D CB -0.481 40.373 40.800 0.089 0.000 0.967 248 D HN 0.090 nan 8.370 nan 0.000 0.464 249 V N 1.242 121.219 119.914 0.106 0.000 2.407 249 V HA -0.204 3.934 4.120 0.030 0.000 0.248 249 V C 2.487 178.650 176.094 0.114 0.000 1.055 249 V CA 1.006 63.358 62.300 0.088 0.000 1.049 249 V CB -0.300 31.556 31.823 0.055 0.000 0.662 249 V HN 0.178 nan 8.190 nan 0.000 0.455 250 I N -0.033 120.607 120.570 0.116 0.000 2.252 250 I HA -0.244 3.943 4.170 0.030 0.000 0.245 250 I C 2.600 178.809 176.117 0.154 0.000 1.102 250 I CA 1.869 63.241 61.300 0.120 0.000 1.385 250 I CB -0.301 37.714 38.000 0.025 0.000 1.064 250 I HN 0.409 nan 8.210 nan 0.000 0.414 251 E N 1.553 121.810 120.200 0.095 0.000 2.077 251 E HA -0.223 4.145 4.350 0.030 0.000 0.193 251 E C 2.317 178.950 176.600 0.055 0.000 0.989 251 E CA 1.302 57.738 56.400 0.059 0.000 0.800 251 E CB -0.020 29.710 29.700 0.051 0.000 0.746 251 E HN 0.468 nan 8.360 nan 0.000 0.452 252 I N 0.486 121.102 120.570 0.077 0.000 2.179 252 I HA -0.274 3.914 4.170 0.030 0.000 0.242 252 I C 2.494 178.656 176.117 0.074 0.000 1.088 252 I CA 1.390 62.727 61.300 0.062 0.000 1.357 252 I CB -0.517 37.525 38.000 0.069 0.000 1.051 252 I HN 0.267 nan 8.210 nan 0.000 0.409 253 Y N 2.136 122.435 120.300 -0.003 0.000 2.097 253 Y HA -0.281 4.283 4.550 0.024 0.000 0.282 253 Y C 2.682 178.574 175.900 -0.013 0.000 1.152 253 Y CA 1.571 59.666 58.100 -0.007 0.000 1.136 253 Y CB -0.455 37.998 38.460 -0.011 0.000 0.975 253 Y HN -0.057 nan 8.280 nan 0.000 0.498 254 R N 0.375 120.719 120.500 -0.260 0.000 2.105 254 R HA -0.149 4.209 4.340 0.030 0.000 0.239 254 R C 2.323 178.477 176.300 -0.243 0.000 1.135 254 R CA 1.954 57.839 56.100 -0.360 0.000 0.967 254 R CB -0.230 29.997 30.300 -0.121 0.000 0.861 254 R HN 0.380 nan 8.270 nan 0.000 0.442 255 K N 0.006 120.328 120.400 -0.131 0.000 2.097 255 K HA -0.059 4.279 4.320 0.030 0.000 0.205 255 K C 2.033 178.573 176.600 -0.099 0.000 1.050 255 K CA 1.067 57.299 56.287 -0.091 0.000 0.938 255 K CB 0.025 32.497 32.500 -0.046 0.000 0.718 255 K HN 0.002 nan 8.250 nan 0.000 0.442 256 V N 1.757 121.608 119.914 -0.105 0.000 2.427 256 V HA -0.219 3.919 4.120 0.030 0.000 0.248 256 V C 2.220 178.239 176.094 -0.124 0.000 1.051 256 V CA 1.546 63.797 62.300 -0.083 0.000 1.048 256 V CB -0.310 31.490 31.823 -0.038 0.000 0.666 256 V HN 0.284 nan 8.190 nan 0.000 0.456 257 K N -0.066 120.190 120.400 -0.239 0.000 2.280 257 K HA -0.210 4.128 4.320 0.030 0.000 0.202 257 K C 2.026 178.533 176.600 -0.155 0.000 1.047 257 K CA 1.374 57.511 56.287 -0.251 0.000 0.942 257 K CB -0.066 32.147 32.500 -0.478 0.000 0.739 257 K HN 0.577 nan 8.250 nan 0.000 0.457 258 E N -0.017 120.102 120.200 -0.135 0.000 2.153 258 E HA -0.184 4.184 4.350 0.030 0.000 0.194 258 E C 1.515 178.076 176.600 -0.064 0.000 0.988 258 E CA 1.184 57.531 56.400 -0.089 0.000 0.811 258 E CB 0.176 29.831 29.700 -0.075 0.000 0.746 258 E HN 0.256 nan 8.360 nan 0.000 0.466 259 K N -0.302 120.062 120.400 -0.060 0.000 2.348 259 K HA 0.210 4.548 4.320 0.030 0.000 0.194 259 K C 0.475 177.053 176.600 -0.037 0.000 1.052 259 K CA 0.241 56.503 56.287 -0.041 0.000 1.004 259 K CB 0.977 33.458 32.500 -0.032 0.000 0.873 259 K HN 0.013 nan 8.250 nan 0.000 0.523 260 I N 3.271 123.813 120.570 -0.045 0.000 2.668 260 I HA 0.124 4.311 4.170 0.030 0.000 0.276 260 I C -1.905 174.188 176.117 -0.039 0.000 1.139 260 I CA -1.785 59.496 61.300 -0.032 0.000 1.133 260 I CB 1.514 39.502 38.000 -0.020 0.000 1.327 260 I HN -0.137 nan 8.210 nan 0.000 0.520 261 P HA -0.164 nan 4.420 nan 0.000 0.217 261 P C 1.303 178.599 177.300 -0.007 0.000 1.148 261 P CA 1.404 64.484 63.100 -0.033 0.000 0.828 261 P CB 0.320 32.006 31.700 -0.023 0.000 0.783 262 G N -0.035 108.770 108.800 0.009 0.000 2.985 262 G HA2 0.048 4.026 3.960 0.030 0.000 0.209 262 G HA3 0.048 4.026 3.960 0.030 0.000 0.209 262 G C 0.441 175.378 174.900 0.062 0.000 1.165 262 G CA -0.158 44.962 45.100 0.034 0.000 0.776 262 G HN 0.287 nan 8.290 nan 0.000 0.541 263 V N 0.461 120.413 119.914 0.063 0.000 2.763 263 V HA 0.242 4.380 4.120 0.030 0.000 0.306 263 V C -0.304 175.936 176.094 0.243 0.000 1.059 263 V CA 0.121 62.492 62.300 0.119 0.000 1.138 263 V CB 1.107 32.987 31.823 0.096 0.000 0.940 263 V HN 0.470 nan 8.190 nan 0.000 0.489 264 Q N 4.738 124.655 119.800 0.195 0.000 2.342 264 Q HA 0.611 4.969 4.340 0.030 0.000 0.267 264 Q C -1.256 174.761 176.000 0.030 0.000 1.038 264 Q CA -0.730 55.154 55.803 0.135 0.000 0.832 264 Q CB 2.486 31.261 28.738 0.062 0.000 1.323 264 Q HN 0.681 nan 8.270 nan 0.000 0.448 265 L N 2.800 123.880 121.223 -0.239 0.000 2.322 265 L HA 0.511 4.868 4.340 0.030 0.000 0.281 265 L C -1.804 174.922 176.870 -0.241 0.000 1.014 265 L CA -0.351 54.301 54.840 -0.314 0.000 0.815 265 L CB 1.119 42.729 42.059 -0.748 0.000 1.247 265 L HN 0.559 nan 8.230 nan 0.000 0.421 266 L N 6.630 127.758 121.223 -0.158 0.000 2.298 266 L HA 0.468 4.826 4.340 0.030 0.000 0.284 266 L C -0.849 175.943 176.870 -0.131 0.000 1.013 266 L CA -0.535 54.201 54.840 -0.174 0.000 0.824 266 L CB 1.428 43.366 42.059 -0.200 0.000 1.221 266 L HN 0.543 nan 8.230 nan 0.000 0.418 267 L N 5.042 126.210 121.223 -0.092 0.000 2.277 267 L HA 0.498 4.856 4.340 0.030 0.000 0.284 267 L C -0.506 176.396 176.870 0.053 0.000 1.028 267 L CA -0.586 54.241 54.840 -0.021 0.000 0.835 267 L CB 1.661 43.770 42.059 0.085 0.000 1.215 267 L HN 0.315 nan 8.230 nan 0.000 0.425 268 V N 1.953 121.852 119.914 -0.026 0.000 2.513 268 V HA 0.907 5.045 4.120 0.030 0.000 0.299 268 V C 0.394 176.515 176.094 0.045 0.000 1.035 268 V CA -0.506 61.812 62.300 0.029 0.000 0.889 268 V CB 1.698 33.525 31.823 0.007 0.000 0.988 268 V HN 0.844 nan 8.190 nan 0.000 0.440 269 G N 2.272 111.183 108.800 0.186 0.000 2.733 269 G HA2 0.566 4.544 3.960 0.030 0.000 0.297 269 G HA3 0.566 4.544 3.960 0.030 0.000 0.297 269 G C -1.940 173.039 174.900 0.133 0.000 1.452 269 G CA -0.439 44.755 45.100 0.157 0.000 0.940 269 G HN 0.526 nan 8.290 nan 0.000 0.547 270 V N 2.633 122.585 119.914 0.064 0.000 2.409 270 V HA 0.689 4.827 4.120 0.030 0.000 0.291 270 V C 0.110 176.205 176.094 0.002 0.000 1.020 270 V CA -0.338 62.000 62.300 0.062 0.000 0.848 270 V CB 1.241 33.122 31.823 0.097 0.000 0.990 270 V HN 0.753 nan 8.190 nan 0.000 0.430 271 M N 3.222 122.790 119.600 -0.054 0.000 2.591 271 M HA 0.729 5.226 4.480 0.030 0.000 0.306 271 M C 0.073 176.453 176.300 0.133 0.000 1.190 271 M CA -0.622 54.599 55.300 -0.131 0.000 0.889 271 M CB 2.282 34.472 32.600 -0.683 0.000 1.728 271 M HN 0.644 nan 8.290 nan 0.000 0.458 272 A N 0.120 123.036 122.820 0.160 0.000 2.483 272 A HA 0.161 4.499 4.320 0.030 0.000 0.238 272 A C 0.307 178.169 177.584 0.464 0.000 1.070 272 A CA -0.017 52.210 52.037 0.317 0.000 0.770 272 A CB -0.147 19.000 19.000 0.246 0.000 1.008 272 A HN 0.979 nan 8.150 nan 0.000 0.497 273 H N 0.810 120.038 119.070 0.263 0.000 2.422 273 H HA -0.093 4.481 4.556 0.030 0.000 0.298 273 H C 0.541 175.993 175.328 0.206 0.000 1.098 273 H CA 1.897 58.066 56.048 0.202 0.000 1.315 273 H CB -0.078 29.740 29.762 0.093 0.000 1.382 273 H HN 0.764 nan 8.280 nan 0.000 0.523 274 D N -0.159 120.440 120.400 0.331 0.000 2.894 274 D HA 0.038 4.696 4.640 0.030 0.000 0.248 274 D C -0.371 176.060 176.300 0.218 0.000 1.291 274 D CA -0.229 53.909 54.000 0.230 0.000 0.840 274 D CB -0.139 40.758 40.800 0.161 0.000 1.044 274 D HN 0.194 nan 8.370 nan 0.000 0.484 275 D N 1.184 121.751 120.400 0.280 0.000 2.634 275 D HA 0.145 4.803 4.640 0.030 0.000 0.318 275 D C -1.446 174.997 176.300 0.238 0.000 1.226 275 D CA -2.123 51.986 54.000 0.182 0.000 0.899 275 D CB 1.281 42.119 40.800 0.065 0.000 1.025 275 D HN -0.041 nan 8.370 nan 0.000 0.501 276 P HA -0.221 nan 4.420 nan 0.000 0.216 276 P C 1.174 178.599 177.300 0.208 0.000 1.153 276 P CA 1.263 64.518 63.100 0.258 0.000 0.858 276 P CB 0.256 32.061 31.700 0.175 0.000 0.789 277 E N -0.036 120.247 120.200 0.139 0.000 2.153 277 E HA -0.113 4.255 4.350 0.030 0.000 0.194 277 E C 2.329 178.994 176.600 0.109 0.000 0.988 277 E CA 1.432 57.901 56.400 0.116 0.000 0.811 277 E CB -1.446 28.302 29.700 0.081 0.000 0.746 277 E HN 0.193 nan 8.360 nan 0.000 0.466 278 G N 0.748 109.565 108.800 0.029 0.000 2.404 278 G HA2 -0.233 3.744 3.960 0.030 0.000 0.215 278 G HA3 -0.233 3.744 3.960 0.030 0.000 0.215 278 G C 1.012 175.855 174.900 -0.094 0.000 1.174 278 G CA 0.573 45.624 45.100 -0.082 0.000 0.780 278 G HN 0.399 nan 8.290 nan 0.000 0.537 279 W N 0.515 121.867 121.300 0.087 0.000 2.402 279 W HA 0.191 4.874 4.660 0.038 0.000 0.286 279 W C 2.443 179.059 176.519 0.162 0.000 1.221 279 W CA -0.296 57.080 57.345 0.051 0.000 1.257 279 W CB -0.072 29.374 29.460 -0.023 0.000 1.120 279 W HN 0.099 nan 8.180 nan 0.000 0.551 280 I N -1.155 119.608 120.570 0.321 0.000 2.252 280 I HA -0.334 3.854 4.170 0.030 0.000 0.245 280 I C 2.179 178.416 176.117 0.201 0.000 1.102 280 I CA 1.237 62.677 61.300 0.233 0.000 1.385 280 I CB -0.526 37.581 38.000 0.178 0.000 1.064 280 I HN -0.015 nan 8.210 nan 0.000 0.414 281 Y N 0.698 121.069 120.300 0.118 0.000 2.293 281 Y HA -0.292 4.276 4.550 0.030 0.000 0.291 281 Y C 2.279 178.279 175.900 0.166 0.000 1.137 281 Y CA 1.290 59.450 58.100 0.100 0.000 1.202 281 Y CB -0.342 38.148 38.460 0.051 0.000 0.990 281 Y HN 0.176 nan 8.280 nan 0.000 0.537 282 F N 0.971 120.910 119.950 -0.018 0.000 2.126 282 F HA -0.204 4.338 4.527 0.026 0.000 0.299 282 F C 2.040 177.734 175.800 -0.177 0.000 1.096 282 F CA 2.196 59.989 58.000 -0.344 0.000 1.255 282 F CB -0.482 38.240 39.000 -0.463 0.000 0.997 282 F HN 0.054 nan 8.300 nan 0.000 0.479 283 E N 0.346 120.508 120.200 -0.064 0.000 2.110 283 E HA -0.211 4.157 4.350 0.030 0.000 0.193 283 E C 2.098 178.569 176.600 -0.215 0.000 0.988 283 E CA 1.433 57.721 56.400 -0.187 0.000 0.804 283 E CB -0.177 29.536 29.700 0.021 0.000 0.745 283 E HN 0.501 nan 8.360 nan 0.000 0.458 284 K N 0.121 120.413 120.400 -0.181 0.000 2.148 284 K HA -0.060 4.278 4.320 0.030 0.000 0.204 284 K C 2.219 178.711 176.600 -0.180 0.000 1.050 284 K CA 1.268 57.447 56.287 -0.180 0.000 0.942 284 K CB -0.049 32.308 32.500 -0.238 0.000 0.724 284 K HN 0.027 nan 8.250 nan 0.000 0.446 285 T N 1.971 116.404 114.554 -0.201 0.000 2.737 285 T HA -0.081 4.287 4.350 0.030 0.000 0.265 285 T C 1.863 176.426 174.700 -0.229 0.000 1.038 285 T CA 0.993 63.047 62.100 -0.077 0.000 1.144 285 T CB -0.171 68.765 68.868 0.114 0.000 0.866 285 T HN 0.090 nan 8.240 nan 0.000 0.434 286 L N 0.368 121.383 121.223 -0.347 0.000 2.079 286 L HA -0.108 4.249 4.340 0.030 0.000 0.210 286 L C 2.863 179.571 176.870 -0.270 0.000 1.081 286 L CA 1.417 56.045 54.840 -0.353 0.000 0.752 286 L CB -0.416 41.365 42.059 -0.464 0.000 0.896 286 L HN 0.161 nan 8.230 nan 0.000 0.433 287 R N -0.116 120.243 120.500 -0.236 0.000 2.081 287 R HA -0.208 4.150 4.340 0.030 0.000 0.235 287 R C 2.309 178.482 176.300 -0.213 0.000 1.131 287 R CA 1.461 57.449 56.100 -0.188 0.000 0.960 287 R CB -0.257 29.956 30.300 -0.145 0.000 0.856 287 R HN 0.104 nan 8.270 nan 0.000 0.436 288 K N 1.382 121.613 120.400 -0.283 0.000 2.057 288 K HA -0.106 4.231 4.320 0.030 0.000 0.207 288 K C 1.747 178.170 176.600 -0.295 0.000 1.049 288 K CA 1.487 57.550 56.287 -0.374 0.000 0.931 288 K CB -0.247 31.815 32.500 -0.731 0.000 0.714 288 K HN 0.110 nan 8.250 nan 0.000 0.440 289 I N 0.046 120.454 120.570 -0.270 0.000 2.315 289 I HA -0.076 4.112 4.170 0.030 0.000 0.248 289 I C 1.500 177.497 176.117 -0.200 0.000 1.117 289 I CA 0.824 61.993 61.300 -0.218 0.000 1.404 289 I CB -0.771 37.089 38.000 -0.234 0.000 1.071 289 I HN 0.546 nan 8.210 nan 0.000 0.419 290 G N 1.020 109.693 108.800 -0.213 0.000 2.562 290 G HA2 -0.302 3.676 3.960 0.030 0.000 0.250 290 G HA3 -0.302 3.676 3.960 0.030 0.000 0.250 290 G C 0.123 174.874 174.900 -0.249 0.000 1.269 290 G CA 0.017 45.007 45.100 -0.183 0.000 0.919 290 G HN 0.452 nan 8.290 nan 0.000 0.574 291 E N 0.944 121.041 120.200 -0.172 0.000 2.303 291 E HA 0.200 4.567 4.350 0.030 0.000 0.211 291 E C -0.235 176.269 176.600 -0.160 0.000 1.223 291 E CA 0.136 56.423 56.400 -0.189 0.000 1.344 291 E CB 0.194 29.926 29.700 0.055 0.000 1.299 291 E HN 0.383 nan 8.360 nan 0.000 0.441 292 D N 0.101 120.366 120.400 -0.225 0.000 2.441 292 D HA -0.005 4.653 4.640 0.030 0.000 0.221 292 D C -0.198 175.994 176.300 -0.179 0.000 1.156 292 D CA -0.518 53.432 54.000 -0.084 0.000 0.896 292 D CB 0.111 40.907 40.800 -0.007 0.000 1.028 292 D HN 0.117 nan 8.370 nan 0.000 0.509 293 Y N 1.381 121.685 120.300 0.007 0.000 2.519 293 Y HA 0.053 4.622 4.550 0.033 0.000 0.311 293 Y C 1.322 177.223 175.900 0.002 0.000 1.207 293 Y CA -0.007 58.090 58.100 -0.004 0.000 1.289 293 Y CB 0.334 38.793 38.460 -0.001 0.000 1.059 293 Y HN 0.342 nan 8.280 nan 0.000 0.507 294 D N -0.682 119.781 120.400 0.105 0.000 2.349 294 D HA 0.036 4.694 4.640 0.030 0.000 0.224 294 D C -0.124 176.150 176.300 -0.044 0.000 1.029 294 D CA 0.479 54.537 54.000 0.097 0.000 0.879 294 D CB 0.356 41.273 40.800 0.194 0.000 0.906 294 D HN -0.049 nan 8.370 nan 0.000 0.528 295 V N 2.042 121.868 119.914 -0.146 0.000 2.398 295 V HA 0.228 4.366 4.120 0.030 0.000 0.286 295 V C 0.065 176.062 176.094 -0.162 0.000 1.026 295 V CA -0.709 61.411 62.300 -0.300 0.000 0.868 295 V CB 1.854 33.459 31.823 -0.363 0.000 0.982 295 V HN -0.160 nan 8.190 nan 0.000 0.443 296 K N 4.506 124.820 120.400 -0.144 0.000 2.339 296 K HA 0.508 4.846 4.320 0.030 0.000 0.264 296 K C -0.934 175.621 176.600 -0.076 0.000 0.986 296 K CA -0.574 55.664 56.287 -0.081 0.000 0.866 296 K CB 2.027 34.466 32.500 -0.101 0.000 1.103 296 K HN 0.379 nan 8.250 nan 0.000 0.441 297 V N 5.196 125.107 119.914 -0.006 0.000 2.334 297 V HA 0.289 4.427 4.120 0.030 0.000 0.267 297 V C 0.048 176.222 176.094 0.133 0.000 1.040 297 V CA -0.682 61.675 62.300 0.095 0.000 0.866 297 V CB 0.230 32.089 31.823 0.061 0.000 1.019 297 V HN 0.515 nan 8.190 nan 0.000 0.468 298 L N 6.248 127.511 121.223 0.067 0.000 2.294 298 L HA 0.726 5.084 4.340 0.030 0.000 0.283 298 L C 0.319 177.239 176.870 0.083 0.000 1.015 298 L CA -0.098 54.725 54.840 -0.028 0.000 0.831 298 L CB 1.647 43.450 42.059 -0.428 0.000 1.217 298 L HN 0.783 nan 8.230 nan 0.000 0.420 299 T N -2.428 112.192 114.554 0.110 0.000 2.838 299 T HA 0.235 4.603 4.350 0.030 0.000 0.292 299 T C 0.763 175.497 174.700 0.057 0.000 1.113 299 T CA -0.866 61.299 62.100 0.108 0.000 1.008 299 T CB 1.427 70.348 68.868 0.088 0.000 1.259 299 T HN 0.526 nan 8.240 nan 0.000 0.520 300 N N 0.583 119.330 118.700 0.079 0.000 2.573 300 N HA -0.073 4.685 4.740 0.030 0.000 0.187 300 N C 1.619 177.134 175.510 0.008 0.000 1.107 300 N CA 0.172 53.222 53.050 0.000 0.000 0.918 300 N CB -0.419 38.144 38.487 0.127 0.000 0.966 300 N HN 0.563 nan 8.380 nan 0.000 0.448 301 L N 1.103 122.327 121.223 0.001 0.000 2.141 301 L HA 0.019 4.377 4.340 0.030 0.000 0.209 301 L C 1.447 178.283 176.870 -0.056 0.000 1.094 301 L CA 1.278 56.006 54.840 -0.186 0.000 0.763 301 L CB -0.079 41.736 42.059 -0.406 0.000 0.908 301 L HN 0.233 nan 8.230 nan 0.000 0.437 302 I N -4.483 116.112 120.570 0.042 0.000 3.816 302 I HA 0.440 4.627 4.170 0.030 0.000 0.334 302 I C 0.949 177.180 176.117 0.190 0.000 1.551 302 I CA 0.359 61.733 61.300 0.124 0.000 1.153 302 I CB 0.334 38.459 38.000 0.209 0.000 1.197 302 I HN 0.165 nan 8.210 nan 0.000 0.439 303 G N 1.124 109.960 108.800 0.060 0.000 2.179 303 G HA2 -0.204 3.774 3.960 0.030 0.000 0.220 303 G HA3 -0.204 3.774 3.960 0.030 0.000 0.220 303 G C 0.095 174.811 174.900 -0.307 0.000 0.990 303 G CA -0.054 45.051 45.100 0.008 0.000 0.646 303 G HN 0.262 nan 8.290 nan 0.000 0.517 304 V N 3.656 123.381 119.914 -0.314 0.000 2.470 304 V HA 0.518 4.656 4.120 0.030 0.000 0.276 304 V C 0.714 176.495 176.094 -0.520 0.000 1.040 304 V CA -0.115 61.976 62.300 -0.348 0.000 1.008 304 V CB 0.700 32.429 31.823 -0.157 0.000 0.990 304 V HN 0.400 nan 8.190 nan 0.000 0.477 305 H N 2.847 121.938 119.070 0.035 0.000 3.043 305 H HA 0.559 5.133 4.556 0.030 0.000 0.302 305 H C 1.230 176.563 175.328 0.008 0.000 1.506 305 H CA -0.222 55.847 56.048 0.036 0.000 1.282 305 H CB 1.323 31.109 29.762 0.041 0.000 1.914 305 H HN 0.461 nan 8.280 nan 0.000 0.625 306 A N 0.498 123.415 122.820 0.163 0.000 1.884 306 A HA -0.267 4.071 4.320 0.030 0.000 0.219 306 A C 2.304 179.905 177.584 0.029 0.000 1.197 306 A CA 2.587 54.671 52.037 0.078 0.000 0.637 306 A CB -0.758 18.281 19.000 0.066 0.000 0.827 306 A HN 0.680 nan 8.150 nan 0.000 0.450 307 R N -0.604 119.913 120.500 0.028 0.000 2.120 307 R HA -0.158 4.199 4.340 0.030 0.000 0.234 307 R C 1.924 178.155 176.300 -0.116 0.000 1.123 307 R CA 1.752 57.841 56.100 -0.017 0.000 0.975 307 R CB -0.187 30.118 30.300 0.007 0.000 0.866 307 R HN 0.572 nan 8.270 nan 0.000 0.446 308 E N -0.385 119.715 120.200 -0.167 0.000 2.072 308 E HA -0.108 4.260 4.350 0.030 0.000 0.190 308 E C 1.905 178.096 176.600 -0.683 0.000 0.982 308 E CA 1.238 57.347 56.400 -0.485 0.000 0.803 308 E CB -0.054 29.376 29.700 -0.449 0.000 0.755 308 E HN 0.067 nan 8.360 nan 0.000 0.453 309 V N 2.015 121.791 119.914 -0.229 0.000 2.332 309 V HA -0.313 3.824 4.120 0.030 0.000 0.248 309 V C 2.229 178.297 176.094 -0.042 0.000 1.055 309 V CA 1.878 64.178 62.300 -0.000 0.000 1.038 309 V CB -0.678 31.189 31.823 0.073 0.000 0.651 309 V HN 0.368 nan 8.190 nan 0.000 0.450 310 N N 1.006 119.665 118.700 -0.068 0.000 2.021 310 N HA -0.240 4.518 4.740 0.030 0.000 0.198 310 N C 1.843 177.318 175.510 -0.058 0.000 1.041 310 N CA 2.443 55.477 53.050 -0.025 0.000 0.862 310 N CB -0.408 38.069 38.487 -0.017 0.000 1.048 310 N HN 0.441 nan 8.380 nan 0.000 0.427 311 A N -0.079 122.633 122.820 -0.179 0.000 1.940 311 A HA -0.081 4.257 4.320 0.030 0.000 0.219 311 A C 2.376 179.911 177.584 -0.082 0.000 1.176 311 A CA 1.183 53.116 52.037 -0.173 0.000 0.631 311 A CB -1.120 17.713 19.000 -0.279 0.000 0.814 311 A HN 0.454 nan 8.150 nan 0.000 0.446 312 F N -0.186 119.764 119.950 -0.001 0.000 2.134 312 F HA -0.236 4.309 4.527 0.030 0.000 0.299 312 F C 2.858 178.663 175.800 0.007 0.000 1.097 312 F CA 1.381 59.377 58.000 -0.007 0.000 1.264 312 F CB -0.286 38.690 39.000 -0.040 0.000 1.001 312 F HN 0.281 nan 8.300 nan 0.000 0.479 313 Q N 0.096 120.007 119.800 0.185 0.000 2.119 313 Q HA -0.148 4.210 4.340 0.030 0.000 0.201 313 Q C 2.193 178.245 176.000 0.087 0.000 0.972 313 Q CA 1.092 56.967 55.803 0.119 0.000 0.847 313 Q CB -0.225 28.572 28.738 0.099 0.000 0.903 313 Q HN 0.406 nan 8.270 nan 0.000 0.433 314 R N 0.250 120.791 120.500 0.068 0.000 2.096 314 R HA -0.059 4.299 4.340 0.030 0.000 0.235 314 R C 2.039 178.370 176.300 0.052 0.000 1.127 314 R CA 1.170 57.295 56.100 0.043 0.000 0.968 314 R CB -0.218 30.095 30.300 0.022 0.000 0.861 314 R HN 0.164 nan 8.270 nan 0.000 0.440 315 A N 0.687 123.555 122.820 0.080 0.000 2.167 315 A HA 0.065 4.403 4.320 0.030 0.000 0.214 315 A C 0.653 178.286 177.584 0.081 0.000 1.151 315 A CA 0.147 52.236 52.037 0.086 0.000 0.735 315 A CB 0.166 19.241 19.000 0.125 0.000 0.802 315 A HN 0.097 nan 8.150 nan 0.000 0.467 316 S N 0.874 116.623 115.700 0.082 0.000 2.564 316 S HA 0.150 4.638 4.470 0.030 0.000 0.278 316 S C 0.272 174.905 174.600 0.055 0.000 1.333 316 S CA -0.395 57.846 58.200 0.069 0.000 1.048 316 S CB 0.927 64.168 63.200 0.069 0.000 0.900 316 S HN 0.448 nan 8.310 nan 0.000 0.505 317 D N 0.671 121.103 120.400 0.053 0.000 2.216 317 D HA 0.092 4.750 4.640 0.030 0.000 0.208 317 D C 0.036 176.370 176.300 0.057 0.000 0.960 317 D CA 1.038 55.067 54.000 0.048 0.000 0.861 317 D CB 0.414 41.241 40.800 0.045 0.000 0.985 317 D HN 0.232 nan 8.370 nan 0.000 0.493 318 V N 1.506 121.457 119.914 0.062 0.000 2.808 318 V HA 0.373 4.511 4.120 0.030 0.000 0.308 318 V C -0.427 175.705 176.094 0.064 0.000 1.099 318 V CA -0.714 61.630 62.300 0.073 0.000 0.920 318 V CB 2.993 34.864 31.823 0.081 0.000 1.014 318 V HN -0.084 nan 8.190 nan 0.000 0.425 319 I N 4.683 125.292 120.570 0.064 0.000 2.530 319 I HA 0.564 4.751 4.170 0.030 0.000 0.297 319 I C -0.826 175.319 176.117 0.047 0.000 1.011 319 I CA -0.602 60.727 61.300 0.049 0.000 1.107 319 I CB 1.991 40.017 38.000 0.045 0.000 1.285 319 I HN 0.358 nan 8.210 nan 0.000 0.436 320 L N 4.955 126.196 121.223 0.030 0.000 2.319 320 L HA 0.573 4.931 4.340 0.030 0.000 0.267 320 L C -0.668 176.203 176.870 0.002 0.000 1.011 320 L CA -0.684 54.171 54.840 0.025 0.000 0.818 320 L CB 1.715 43.790 42.059 0.027 0.000 1.316 320 L HN 0.456 nan 8.230 nan 0.000 0.432 321 Q N 1.806 121.605 119.800 -0.001 0.000 3.966 321 Q HA 0.307 4.665 4.340 0.030 0.000 0.198 321 Q C -0.973 175.019 176.000 -0.013 0.000 0.872 321 Q CA 0.041 55.831 55.803 -0.021 0.000 0.767 321 Q CB 0.811 29.527 28.738 -0.036 0.000 1.516 321 Q HN 0.459 nan 8.270 nan 0.000 0.434 322 M N 0.802 120.398 119.600 -0.006 0.000 3.092 322 M HA 0.254 4.752 4.480 0.030 0.000 0.228 322 M C -0.190 176.113 176.300 0.006 0.000 1.301 322 M CA 0.102 55.406 55.300 0.007 0.000 1.216 322 M CB -0.938 31.674 32.600 0.020 0.000 1.356 322 M HN 0.243 nan 8.290 nan 0.000 0.463 323 S N 0.800 116.497 115.700 -0.004 0.000 2.568 323 S HA 0.196 4.684 4.470 0.030 0.000 0.282 323 S C 1.541 176.158 174.600 0.028 0.000 1.338 323 S CA -0.314 57.890 58.200 0.007 0.000 1.045 323 S CB 1.436 64.633 63.200 -0.005 0.000 0.873 323 S HN 0.332 nan 8.310 nan 0.000 0.516 324 I N 0.924 121.534 120.570 0.066 0.000 3.339 324 I HA 0.174 4.362 4.170 0.030 0.000 0.285 324 I C 0.960 177.095 176.117 0.030 0.000 1.201 324 I CA 1.018 62.361 61.300 0.072 0.000 1.434 324 I CB -0.128 37.974 38.000 0.171 0.000 1.152 324 I HN 0.429 nan 8.210 nan 0.000 0.443 325 R N 1.340 121.873 120.500 0.055 0.000 2.513 325 R HA 0.539 4.897 4.340 0.030 0.000 0.301 325 R C -1.007 175.310 176.300 0.028 0.000 0.968 325 R CA -0.311 55.794 56.100 0.008 0.000 0.872 325 R CB 2.860 33.144 30.300 -0.027 0.000 1.177 325 R HN -0.032 nan 8.270 nan 0.000 0.444 326 E N 0.422 120.633 120.200 0.018 0.000 2.390 326 E HA 0.446 4.814 4.350 0.030 0.000 0.280 326 E C -0.652 175.986 176.600 0.063 0.000 0.992 326 E CA -0.432 55.984 56.400 0.027 0.000 0.790 326 E CB 1.611 31.306 29.700 -0.008 0.000 1.248 326 E HN 0.602 nan 8.360 nan 0.000 0.447 327 G N 1.156 110.022 108.800 0.110 0.000 2.829 327 G HA2 0.070 4.047 3.960 0.030 0.000 0.173 327 G HA3 0.070 4.047 3.960 0.030 0.000 0.173 327 G C 0.482 175.474 174.900 0.153 0.000 1.476 327 G CA -0.007 45.227 45.100 0.223 0.000 1.072 327 G HN 0.501 nan 8.290 nan 0.000 0.577 328 F N 1.205 121.202 119.950 0.078 0.000 2.171 328 F HA 0.171 4.724 4.527 0.043 0.000 0.300 328 F C 1.846 177.607 175.800 -0.065 0.000 1.090 328 F CA 1.779 59.762 58.000 -0.029 0.000 1.293 328 F CB -0.172 38.773 39.000 -0.092 0.000 1.013 328 F HN 0.771 nan 8.300 nan 0.000 0.486 329 G N 1.032 109.789 108.800 -0.072 0.000 2.545 329 G HA2 -0.244 3.734 3.960 0.030 0.000 0.279 329 G HA3 -0.244 3.734 3.960 0.030 0.000 0.279 329 G C 0.668 175.471 174.900 -0.161 0.000 1.131 329 G CA 0.201 45.203 45.100 -0.164 0.000 1.100 329 G HN 0.474 nan 8.290 nan 0.000 0.525 330 L N 0.177 121.418 121.223 0.030 0.000 2.265 330 L HA -0.104 4.254 4.340 0.030 0.000 0.215 330 L C 3.159 180.035 176.870 0.009 0.000 1.117 330 L CA 2.145 57.021 54.840 0.060 0.000 0.782 330 L CB -0.511 41.600 42.059 0.087 0.000 0.914 330 L HN 0.702 nan 8.230 nan 0.000 0.441 331 T N -3.972 110.577 114.554 -0.008 0.000 2.867 331 T HA -0.110 4.257 4.350 0.030 0.000 0.268 331 T C 1.776 176.468 174.700 -0.013 0.000 1.057 331 T CA 0.975 63.075 62.100 -0.001 0.000 1.136 331 T CB -0.514 68.347 68.868 -0.011 0.000 0.874 331 T HN 0.106 nan 8.240 nan 0.000 0.466 332 V N 2.129 122.004 119.914 -0.065 0.000 2.379 332 V HA -0.143 3.995 4.120 0.030 0.000 0.245 332 V C 3.025 179.093 176.094 -0.043 0.000 1.044 332 V CA 2.152 64.406 62.300 -0.076 0.000 1.036 332 V CB -1.201 30.525 31.823 -0.162 0.000 0.664 332 V HN 0.584 nan 8.190 nan 0.000 0.453 333 T N -0.183 114.333 114.554 -0.064 0.000 2.720 333 T HA -0.247 4.121 4.350 0.030 0.000 0.268 333 T C 1.754 176.525 174.700 0.120 0.000 1.037 333 T CA 1.829 63.941 62.100 0.021 0.000 1.144 333 T CB -0.287 68.603 68.868 0.038 0.000 0.864 333 T HN 0.580 nan 8.240 nan 0.000 0.444 334 E N 1.223 121.482 120.200 0.099 0.000 2.077 334 E HA -0.067 4.301 4.350 0.030 0.000 0.193 334 E C 2.593 179.300 176.600 0.179 0.000 0.989 334 E CA 1.055 57.545 56.400 0.151 0.000 0.800 334 E CB -0.283 29.479 29.700 0.103 0.000 0.746 334 E HN 0.518 nan 8.360 nan 0.000 0.452 335 A N 0.901 123.787 122.820 0.111 0.000 1.902 335 A HA -0.181 4.157 4.320 0.030 0.000 0.217 335 A C 2.157 179.802 177.584 0.102 0.000 1.181 335 A CA 1.365 53.458 52.037 0.092 0.000 0.623 335 A CB -0.438 18.596 19.000 0.056 0.000 0.818 335 A HN 0.139 nan 8.150 nan 0.000 0.443 336 M N -1.798 117.872 119.600 0.116 0.000 2.159 336 M HA -0.153 4.345 4.480 0.030 0.000 0.263 336 M C 2.193 178.604 176.300 0.185 0.000 1.063 336 M CA 1.434 56.808 55.300 0.123 0.000 1.110 336 M CB -0.307 32.368 32.600 0.125 0.000 1.374 336 M HN 0.794 nan 8.290 nan 0.000 0.411 337 W N 1.849 123.178 121.300 0.047 0.000 2.374 337 W HA -0.171 4.504 4.660 0.026 0.000 0.288 337 W C 0.978 177.521 176.519 0.040 0.000 1.218 337 W CA 1.160 58.536 57.345 0.052 0.000 1.245 337 W CB 0.021 29.519 29.460 0.063 0.000 1.126 337 W HN 0.128 nan 8.180 nan 0.000 0.545 338 K N 0.026 120.427 120.400 0.003 0.000 2.476 338 K HA 0.120 4.458 4.320 0.030 0.000 0.196 338 K C 1.109 177.649 176.600 -0.100 0.000 1.025 338 K CA 0.504 56.727 56.287 -0.106 0.000 1.138 338 K CB -0.416 32.089 32.500 0.009 0.000 0.860 338 K HN 0.191 nan 8.250 nan 0.000 0.515 339 G N 2.172 110.917 108.800 -0.092 0.000 2.179 339 G HA2 -0.251 3.726 3.960 0.030 0.000 0.257 339 G HA3 -0.251 3.726 3.960 0.030 0.000 0.257 339 G C -0.291 174.598 174.900 -0.017 0.000 1.010 339 G CA 0.165 45.226 45.100 -0.065 0.000 0.736 339 G HN 0.101 nan 8.290 nan 0.000 0.513 340 K N 0.951 121.356 120.400 0.009 0.000 2.201 340 K HA 0.422 4.760 4.320 0.030 0.000 0.278 340 K C -2.152 174.471 176.600 0.038 0.000 1.027 340 K CA -2.197 54.107 56.287 0.029 0.000 0.909 340 K CB 1.833 34.358 32.500 0.041 0.000 1.062 340 K HN 0.198 nan 8.250 nan 0.000 0.465 341 P HA 0.131 nan 4.420 nan 0.000 0.276 341 P C -0.477 176.876 177.300 0.087 0.000 1.235 341 P CA -0.358 62.784 63.100 0.071 0.000 0.772 341 P CB 0.853 32.626 31.700 0.122 0.000 0.871 342 V N 5.297 125.254 119.914 0.071 0.000 2.513 342 V HA 0.409 4.547 4.120 0.030 0.000 0.299 342 V C 0.531 176.693 176.094 0.114 0.000 1.035 342 V CA -0.706 61.636 62.300 0.071 0.000 0.889 342 V CB 1.811 33.648 31.823 0.025 0.000 0.988 342 V HN 0.409 nan 8.190 nan 0.000 0.440 343 I N 3.676 124.316 120.570 0.116 0.000 2.382 343 I HA 0.759 4.947 4.170 0.030 0.000 0.286 343 I C 0.543 176.702 176.117 0.071 0.000 1.002 343 I CA 0.017 61.398 61.300 0.137 0.000 1.135 343 I CB 1.641 39.714 38.000 0.121 0.000 1.288 343 I HN 0.787 nan 8.210 nan 0.000 0.448 344 G N 5.312 114.147 108.800 0.059 0.000 2.727 344 G HA2 0.597 4.575 3.960 0.030 0.000 0.289 344 G HA3 0.597 4.575 3.960 0.030 0.000 0.289 344 G C -1.257 173.656 174.900 0.021 0.000 1.418 344 G CA -0.870 44.245 45.100 0.024 0.000 0.818 344 G HN 0.416 nan 8.290 nan 0.000 0.486 345 R N -0.443 120.061 120.500 0.007 0.000 2.457 345 R HA 0.532 4.890 4.340 0.030 0.000 0.284 345 R C 0.345 176.642 176.300 -0.005 0.000 1.024 345 R CA -0.283 55.822 56.100 0.007 0.000 1.025 345 R CB 1.585 31.890 30.300 0.008 0.000 1.063 345 R HN 0.536 nan 8.270 nan 0.000 0.493 346 A N 2.978 125.797 122.820 -0.000 0.000 3.030 346 A HA 0.261 4.599 4.320 0.030 0.000 0.273 346 A C 0.003 177.579 177.584 -0.013 0.000 1.841 346 A CA -0.283 51.751 52.037 -0.005 0.000 1.479 346 A CB -0.824 18.178 19.000 0.003 0.000 1.048 346 A HN 0.447 nan 8.150 nan 0.000 0.612 347 V N -1.692 118.208 119.914 -0.024 0.000 3.007 347 V HA 0.946 5.083 4.120 0.030 0.000 0.311 347 V C 0.752 176.819 176.094 -0.045 0.000 1.120 347 V CA -0.221 62.061 62.300 -0.030 0.000 0.980 347 V CB 0.757 32.565 31.823 -0.024 0.000 1.033 347 V HN 1.997 nan 8.190 nan 0.000 0.429 348 G N 2.542 111.313 108.800 -0.048 0.000 2.627 348 G HA2 -0.140 3.837 3.960 0.030 0.000 0.312 348 G HA3 -0.140 3.837 3.960 0.030 0.000 0.312 348 G C 0.991 175.845 174.900 -0.075 0.000 1.299 348 G CA 0.783 45.847 45.100 -0.060 0.000 0.989 348 G HN 2.277 nan 8.290 nan 0.000 0.547 349 G N -0.485 108.238 108.800 -0.129 0.000 2.650 349 G HA2 0.278 4.256 3.960 0.030 0.000 0.214 349 G HA3 0.278 4.256 3.960 0.030 0.000 0.214 349 G C 1.763 176.463 174.900 -0.333 0.000 1.136 349 G CA 1.109 46.050 45.100 -0.265 0.000 0.789 349 G HN 0.707 nan 8.290 nan 0.000 0.536 350 I N 0.357 120.787 120.570 -0.232 0.000 2.226 350 I HA -0.159 4.029 4.170 0.030 0.000 0.245 350 I C 2.619 178.669 176.117 -0.112 0.000 1.100 350 I CA 1.309 62.496 61.300 -0.189 0.000 1.374 350 I CB -0.162 37.768 38.000 -0.116 0.000 1.057 350 I HN 0.128 nan 8.210 nan 0.000 0.413 351 K N 0.798 121.168 120.400 -0.050 0.000 2.097 351 K HA -0.233 4.105 4.320 0.030 0.000 0.206 351 K C 2.191 178.832 176.600 0.069 0.000 1.049 351 K CA 1.617 57.908 56.287 0.006 0.000 0.933 351 K CB -0.118 32.394 32.500 0.020 0.000 0.717 351 K HN 0.196 nan 8.250 nan 0.000 0.442 352 F N 1.702 121.602 119.950 -0.083 0.000 2.270 352 F HA 0.006 4.548 4.527 0.024 0.000 0.295 352 F C 1.994 177.794 175.800 0.001 0.000 1.087 352 F CA 1.057 59.044 58.000 -0.022 0.000 1.365 352 F CB -0.019 38.992 39.000 0.019 0.000 1.056 352 F HN 0.052 nan 8.300 nan 0.000 0.506 353 Q N 0.243 119.879 119.800 -0.274 0.000 2.083 353 Q HA 0.018 4.376 4.340 0.030 0.000 0.198 353 Q C 0.449 176.334 176.000 -0.192 0.000 0.969 353 Q CA 0.856 56.462 55.803 -0.328 0.000 0.838 353 Q CB 0.085 28.566 28.738 -0.428 0.000 0.900 353 Q HN 0.310 nan 8.270 nan 0.000 0.436 354 I N 1.771 122.252 120.570 -0.149 0.000 2.396 354 I HA 0.047 4.235 4.170 0.030 0.000 0.289 354 I C -0.545 175.514 176.117 -0.097 0.000 1.056 354 I CA -0.461 60.776 61.300 -0.105 0.000 1.365 354 I CB 1.228 39.182 38.000 -0.077 0.000 1.407 354 I HN -0.139 nan 8.210 nan 0.000 0.509 355 V N 5.896 125.747 119.914 -0.105 0.000 2.304 355 V HA 0.037 4.175 4.120 0.030 0.000 0.262 355 V C 0.228 176.248 176.094 -0.123 0.000 1.061 355 V CA -0.548 61.695 62.300 -0.096 0.000 0.872 355 V CB 0.726 32.494 31.823 -0.091 0.000 1.077 355 V HN 0.702 nan 8.190 nan 0.000 0.480 356 D N 4.370 124.712 120.400 -0.097 0.000 2.583 356 D HA 0.238 4.896 4.640 0.030 0.000 0.232 356 D C 1.408 177.597 176.300 -0.184 0.000 1.128 356 D CA 1.965 55.894 54.000 -0.118 0.000 0.859 356 D CB 0.660 41.445 40.800 -0.026 0.000 1.169 356 D HN 0.875 nan 8.370 nan 0.000 0.481 357 G N 2.878 111.440 108.800 -0.397 0.000 2.189 357 G HA2 -0.379 3.599 3.960 0.030 0.000 0.267 357 G HA3 -0.379 3.599 3.960 0.030 0.000 0.267 357 G C 0.955 175.667 174.900 -0.314 0.000 0.975 357 G CA 0.968 45.829 45.100 -0.399 0.000 0.644 357 G HN 0.598 nan 8.290 nan 0.000 0.537 358 E N -0.642 119.391 120.200 -0.278 0.000 2.290 358 E HA 0.171 4.539 4.350 0.030 0.000 0.195 358 E C 2.579 179.072 176.600 -0.178 0.000 0.938 358 E CA 1.882 58.176 56.400 -0.177 0.000 1.018 358 E CB -0.177 29.454 29.700 -0.115 0.000 1.042 358 E HN 0.551 nan 8.360 nan 0.000 0.483 359 T N -2.652 111.795 114.554 -0.178 0.000 3.015 359 T HA 0.515 4.883 4.350 0.030 0.000 0.250 359 T C 0.852 175.454 174.700 -0.162 0.000 1.057 359 T CA 0.346 62.368 62.100 -0.130 0.000 1.066 359 T CB 0.891 69.712 68.868 -0.078 0.000 0.959 359 T HN 0.227 nan 8.240 nan 0.000 0.488 360 G N 0.086 108.720 108.800 -0.277 0.000 2.494 360 G HA2 0.530 4.507 3.960 0.030 0.000 0.308 360 G HA3 0.530 4.507 3.960 0.030 0.000 0.308 360 G C -2.169 172.448 174.900 -0.471 0.000 1.263 360 G CA -1.082 43.855 45.100 -0.272 0.000 0.840 360 G HN 0.171 nan 8.290 nan 0.000 0.479 361 F N -0.112 119.837 119.950 -0.002 0.000 2.540 361 F HA 0.658 5.197 4.527 0.020 0.000 0.317 361 F C 0.060 175.850 175.800 -0.017 0.000 1.104 361 F CA -0.693 57.299 58.000 -0.013 0.000 0.913 361 F CB 2.387 41.380 39.000 -0.013 0.000 1.170 361 F HN 0.158 nan 8.300 nan 0.000 0.450 362 L N 4.514 125.834 121.223 0.160 0.000 2.282 362 L HA 0.768 5.126 4.340 0.030 0.000 0.288 362 L C -0.487 176.435 176.870 0.087 0.000 1.033 362 L CA -0.980 53.911 54.840 0.084 0.000 0.807 362 L CB 1.460 43.543 42.059 0.041 0.000 1.209 362 L HN 0.503 nan 8.230 nan 0.000 0.423 363 V N 0.742 120.691 119.914 0.059 0.000 3.001 363 V HA 0.543 4.680 4.120 0.030 0.000 0.314 363 V C 0.562 176.669 176.094 0.021 0.000 1.099 363 V CA -0.822 61.498 62.300 0.034 0.000 0.989 363 V CB 2.144 33.979 31.823 0.021 0.000 1.040 363 V HN 0.727 nan 8.190 nan 0.000 0.434 364 R N 0.934 121.442 120.500 0.013 0.000 2.090 364 R HA 0.240 4.598 4.340 0.030 0.000 0.219 364 R C -0.140 176.169 176.300 0.015 0.000 1.100 364 R CA 1.380 57.487 56.100 0.012 0.000 0.991 364 R CB 0.004 30.308 30.300 0.007 0.000 0.893 364 R HN 1.013 nan 8.270 nan 0.000 0.443 365 D N -2.428 117.980 120.400 0.012 0.000 2.812 365 D HA 0.304 4.962 4.640 0.030 0.000 0.318 365 D C 0.279 176.588 176.300 0.015 0.000 1.234 365 D CA -0.310 53.700 54.000 0.017 0.000 0.989 365 D CB 0.132 40.941 40.800 0.016 0.000 1.442 365 D HN -0.124 nan 8.370 nan 0.000 0.537 366 A N 0.150 122.983 122.820 0.022 0.000 1.865 366 A HA -0.244 4.094 4.320 0.030 0.000 0.217 366 A C 1.735 179.324 177.584 0.008 0.000 1.191 366 A CA 2.134 54.184 52.037 0.022 0.000 0.623 366 A CB -1.560 17.459 19.000 0.031 0.000 0.826 366 A HN 0.663 nan 8.150 nan 0.000 0.444 367 N N -0.635 118.067 118.700 0.002 0.000 2.061 367 N HA -0.209 4.548 4.740 0.030 0.000 0.193 367 N C 1.824 177.321 175.510 -0.021 0.000 1.030 367 N CA 1.594 54.639 53.050 -0.009 0.000 0.856 367 N CB -0.217 38.265 38.487 -0.008 0.000 1.023 367 N HN 0.633 nan 8.380 nan 0.000 0.424 368 E N 0.481 120.667 120.200 -0.023 0.000 2.077 368 E HA -0.178 4.190 4.350 0.030 0.000 0.193 368 E C 2.093 178.658 176.600 -0.059 0.000 0.989 368 E CA 0.973 57.346 56.400 -0.044 0.000 0.800 368 E CB -0.093 29.587 29.700 -0.033 0.000 0.746 368 E HN 0.406 nan 8.360 nan 0.000 0.452 369 A N 0.913 123.714 122.820 -0.031 0.000 1.933 369 A HA -0.144 4.194 4.320 0.030 0.000 0.218 369 A C 2.489 180.056 177.584 -0.029 0.000 1.175 369 A CA 1.100 53.122 52.037 -0.025 0.000 0.628 369 A CB -0.617 18.388 19.000 0.008 0.000 0.814 369 A HN 0.110 nan 8.150 nan 0.000 0.444 370 V N 0.025 119.927 119.914 -0.019 0.000 2.255 370 V HA -0.273 3.865 4.120 0.030 0.000 0.247 370 V C 2.617 178.695 176.094 -0.027 0.000 1.051 370 V CA 2.504 64.795 62.300 -0.015 0.000 1.018 370 V CB -0.726 31.089 31.823 -0.014 0.000 0.641 370 V HN 0.731 nan 8.190 nan 0.000 0.445 371 E N 0.034 120.206 120.200 -0.047 0.000 2.085 371 E HA -0.211 4.157 4.350 0.030 0.000 0.194 371 E C 2.086 178.635 176.600 -0.086 0.000 0.994 371 E CA 1.774 58.139 56.400 -0.058 0.000 0.801 371 E CB -0.462 29.188 29.700 -0.084 0.000 0.743 371 E HN 0.376 nan 8.360 nan 0.000 0.453 372 V N -0.821 118.993 119.914 -0.168 0.000 2.591 372 V HA -0.095 4.043 4.120 0.030 0.000 0.249 372 V C 2.015 178.060 176.094 -0.082 0.000 1.053 372 V CA 1.315 63.441 62.300 -0.291 0.000 1.068 372 V CB 0.047 31.534 31.823 -0.559 0.000 0.689 372 V HN 0.229 nan 8.190 nan 0.000 0.462 373 V N 0.266 120.167 119.914 -0.023 0.000 2.358 373 V HA -0.215 3.923 4.120 0.030 0.000 0.246 373 V C 2.442 178.566 176.094 0.050 0.000 1.047 373 V CA 2.386 64.706 62.300 0.033 0.000 1.035 373 V CB -0.489 31.354 31.823 0.034 0.000 0.658 373 V HN 0.507 nan 8.190 nan 0.000 0.452 374 L N -1.373 119.876 121.223 0.043 0.000 2.046 374 L HA -0.204 4.154 4.340 0.030 0.000 0.208 374 L C 2.475 179.409 176.870 0.107 0.000 1.077 374 L CA 1.971 56.843 54.840 0.054 0.000 0.747 374 L CB -0.731 41.353 42.059 0.042 0.000 0.896 374 L HN 0.400 nan 8.230 nan 0.000 0.432 375 Y N 0.895 121.199 120.300 0.008 0.000 2.081 375 Y HA -0.298 4.269 4.550 0.029 0.000 0.280 375 Y C 2.353 178.362 175.900 0.183 0.000 1.163 375 Y CA 1.740 59.890 58.100 0.084 0.000 1.135 375 Y CB -0.335 38.071 38.460 -0.089 0.000 0.970 375 Y HN -0.018 nan 8.280 nan 0.000 0.498 376 L N -0.980 120.322 121.223 0.130 0.000 2.046 376 L HA -0.236 4.122 4.340 0.030 0.000 0.208 376 L C 2.290 179.169 176.870 0.016 0.000 1.077 376 L CA 0.766 55.652 54.840 0.077 0.000 0.747 376 L CB -0.640 41.525 42.059 0.176 0.000 0.896 376 L HN 0.261 nan 8.230 nan 0.000 0.432 377 L N -0.268 120.969 121.223 0.022 0.000 2.201 377 L HA -0.161 4.197 4.340 0.030 0.000 0.212 377 L C 2.326 179.160 176.870 -0.061 0.000 1.105 377 L CA 1.698 56.535 54.840 -0.005 0.000 0.775 377 L CB -0.611 41.453 42.059 0.008 0.000 0.913 377 L HN 0.163 nan 8.230 nan 0.000 0.440 378 K N -1.738 118.605 120.400 -0.096 0.000 2.314 378 K HA 0.049 4.387 4.320 0.030 0.000 0.198 378 K C -0.117 176.171 176.600 -0.521 0.000 1.045 378 K CA 0.455 56.584 56.287 -0.262 0.000 0.988 378 K CB 0.139 32.487 32.500 -0.254 0.000 0.783 378 K HN 0.336 nan 8.250 nan 0.000 0.484 379 H N 0.235 119.152 119.070 -0.255 0.000 2.340 379 H HA 0.124 4.697 4.556 0.029 0.000 0.233 379 H C -2.030 173.198 175.328 -0.168 0.000 1.435 379 H CA -1.938 53.955 56.048 -0.260 0.000 1.389 379 H CB 0.764 30.236 29.762 -0.482 0.000 1.491 379 H HN 0.001 nan 8.280 nan 0.000 0.518 380 P HA -0.235 nan 4.420 nan 0.000 0.221 380 P C 1.280 178.582 177.300 0.003 0.000 1.145 380 P CA 1.190 64.281 63.100 -0.014 0.000 0.795 380 P CB 0.658 32.343 31.700 -0.025 0.000 0.775 381 E N 0.501 120.706 120.200 0.008 0.000 2.107 381 E HA -0.077 4.291 4.350 0.030 0.000 0.191 381 E C 1.951 178.568 176.600 0.028 0.000 0.982 381 E CA 1.034 57.444 56.400 0.017 0.000 0.809 381 E CB -1.509 28.204 29.700 0.021 0.000 0.756 381 E HN 0.107 nan 8.360 nan 0.000 0.459 382 V N 1.795 121.732 119.914 0.038 0.000 2.307 382 V HA -0.221 3.917 4.120 0.030 0.000 0.245 382 V C 2.803 178.939 176.094 0.070 0.000 1.045 382 V CA 1.829 64.165 62.300 0.060 0.000 1.024 382 V CB -0.819 31.042 31.823 0.064 0.000 0.651 382 V HN 0.365 nan 8.190 nan 0.000 0.449 383 S N -0.306 115.433 115.700 0.065 0.000 2.374 383 S HA -0.338 4.150 4.470 0.030 0.000 0.227 383 S C 2.160 176.785 174.600 0.042 0.000 1.037 383 S CA 2.442 60.687 58.200 0.075 0.000 1.024 383 S CB -0.340 62.897 63.200 0.061 0.000 0.861 383 S HN 0.614 nan 8.310 nan 0.000 0.456 384 K N 0.566 120.980 120.400 0.024 0.000 2.057 384 K HA -0.115 4.222 4.320 0.030 0.000 0.206 384 K C 2.340 178.942 176.600 0.003 0.000 1.050 384 K CA 1.512 57.803 56.287 0.008 0.000 0.935 384 K CB -0.349 32.152 32.500 0.002 0.000 0.715 384 K HN 0.390 nan 8.250 nan 0.000 0.439 385 E N 1.020 121.226 120.200 0.010 0.000 2.031 385 E HA -0.210 4.158 4.350 0.030 0.000 0.193 385 E C 1.961 178.557 176.600 -0.006 0.000 0.994 385 E CA 1.657 58.059 56.400 0.004 0.000 0.800 385 E CB -0.137 29.571 29.700 0.014 0.000 0.752 385 E HN 0.397 nan 8.360 nan 0.000 0.447 386 M N -0.271 119.328 119.600 -0.001 0.000 2.159 386 M HA -0.092 4.406 4.480 0.030 0.000 0.263 386 M C 2.420 178.706 176.300 -0.024 0.000 1.063 386 M CA 1.625 56.908 55.300 -0.029 0.000 1.110 386 M CB -0.539 32.038 32.600 -0.038 0.000 1.374 386 M HN 0.155 nan 8.290 nan 0.000 0.411 387 G N 0.136 108.932 108.800 -0.007 0.000 2.418 387 G HA2 -0.106 3.872 3.960 0.030 0.000 0.217 387 G HA3 -0.106 3.872 3.960 0.030 0.000 0.217 387 G C 1.663 176.548 174.900 -0.026 0.000 1.158 387 G CA 0.970 46.064 45.100 -0.011 0.000 0.771 387 G HN 0.531 nan 8.290 nan 0.000 0.545 388 A N 0.914 123.716 122.820 -0.029 0.000 1.877 388 A HA -0.010 4.328 4.320 0.030 0.000 0.216 388 A C 2.308 179.876 177.584 -0.027 0.000 1.186 388 A CA 1.959 53.973 52.037 -0.038 0.000 0.620 388 A CB -0.360 18.620 19.000 -0.032 0.000 0.822 388 A HN 0.372 nan 8.150 nan 0.000 0.443 389 K N -0.339 120.047 120.400 -0.022 0.000 2.057 389 K HA -0.059 4.279 4.320 0.030 0.000 0.207 389 K C 2.297 178.893 176.600 -0.006 0.000 1.049 389 K CA 1.095 57.371 56.287 -0.019 0.000 0.931 389 K CB -0.336 32.145 32.500 -0.032 0.000 0.714 389 K HN 0.440 nan 8.250 nan 0.000 0.440 390 A N 1.918 124.736 122.820 -0.005 0.000 1.933 390 A HA -0.223 4.115 4.320 0.030 0.000 0.218 390 A C 2.059 179.688 177.584 0.075 0.000 1.175 390 A CA 1.708 53.759 52.037 0.024 0.000 0.628 390 A CB -0.364 18.645 19.000 0.015 0.000 0.814 390 A HN 0.248 nan 8.150 nan 0.000 0.444 391 K N -0.595 119.832 120.400 0.046 0.000 2.097 391 K HA -0.152 4.186 4.320 0.030 0.000 0.205 391 K C 1.700 178.389 176.600 0.149 0.000 1.050 391 K CA 1.407 57.738 56.287 0.074 0.000 0.938 391 K CB -0.065 32.364 32.500 -0.118 0.000 0.718 391 K HN 0.340 nan 8.250 nan 0.000 0.442 392 E N 0.652 120.895 120.200 0.073 0.000 2.106 392 E HA -0.182 4.186 4.350 0.030 0.000 0.192 392 E C 1.991 178.630 176.600 0.065 0.000 0.984 392 E CA 0.870 57.314 56.400 0.074 0.000 0.806 392 E CB -0.179 29.536 29.700 0.025 0.000 0.750 392 E HN 0.335 nan 8.360 nan 0.000 0.458 393 R N 0.792 121.320 120.500 0.046 0.000 2.091 393 R HA -0.115 4.243 4.340 0.030 0.000 0.238 393 R C 2.220 178.520 176.300 0.001 0.000 1.136 393 R CA 1.287 57.386 56.100 -0.002 0.000 0.959 393 R CB -0.070 30.240 30.300 0.017 0.000 0.856 393 R HN 0.008 nan 8.270 nan 0.000 0.437 394 V N 0.859 120.878 119.914 0.176 0.000 2.358 394 V HA -0.202 3.936 4.120 0.030 0.000 0.246 394 V C 2.535 178.708 176.094 0.131 0.000 1.047 394 V CA 2.048 64.508 62.300 0.268 0.000 1.035 394 V CB -0.661 31.422 31.823 0.434 0.000 0.658 394 V HN 0.413 nan 8.190 nan 0.000 0.452 395 R N 0.621 121.267 120.500 0.244 0.000 2.105 395 R HA -0.197 4.161 4.340 0.030 0.000 0.239 395 R C 2.036 178.352 176.300 0.028 0.000 1.135 395 R CA 1.776 57.998 56.100 0.205 0.000 0.967 395 R CB -0.087 30.410 30.300 0.329 0.000 0.861 395 R HN 0.465 nan 8.270 nan 0.000 0.442 396 K N -0.954 119.428 120.400 -0.031 0.000 2.393 396 K HA 0.129 4.467 4.320 0.030 0.000 0.193 396 K C 0.839 177.314 176.600 -0.210 0.000 1.026 396 K CA 0.257 56.489 56.287 -0.093 0.000 1.064 396 K CB 0.465 32.920 32.500 -0.075 0.000 0.833 396 K HN 0.236 nan 8.250 nan 0.000 0.521 397 N N -0.639 117.842 118.700 -0.365 0.000 2.372 397 N HA 0.122 4.879 4.740 0.030 0.000 0.242 397 N C 0.254 175.320 175.510 -0.739 0.000 1.124 397 N CA 0.482 53.097 53.050 -0.725 0.000 0.824 397 N CB 0.647 38.303 38.487 -1.386 0.000 1.468 397 N HN 0.039 nan 8.380 nan 0.000 0.470 398 F N 1.928 121.872 119.950 -0.009 0.000 2.805 398 F HA 0.448 4.996 4.527 0.036 0.000 0.317 398 F C 0.612 176.336 175.800 -0.128 0.000 1.146 398 F CA -0.724 57.252 58.000 -0.041 0.000 1.265 398 F CB 0.392 39.421 39.000 0.048 0.000 0.992 398 F HN -0.143 nan 8.300 nan 0.000 0.511 399 I N -1.956 118.579 120.570 -0.058 0.000 2.793 399 I HA 0.376 4.564 4.170 0.030 0.000 0.313 399 I C 1.456 177.485 176.117 -0.145 0.000 0.998 399 I CA -0.783 60.407 61.300 -0.183 0.000 1.140 399 I CB 1.729 39.543 38.000 -0.309 0.000 1.327 399 I HN 0.097 nan 8.210 nan 0.000 0.491 400 I N 1.856 122.313 120.570 -0.187 0.000 2.248 400 I HA -0.312 3.876 4.170 0.030 0.000 0.248 400 I C 2.375 178.403 176.117 -0.148 0.000 1.107 400 I CA 2.526 63.743 61.300 -0.139 0.000 1.373 400 I CB 0.118 38.011 38.000 -0.178 0.000 1.055 400 I HN 1.017 nan 8.210 nan 0.000 0.418 401 T N -1.902 112.478 114.554 -0.290 0.000 2.904 401 T HA -0.176 4.192 4.350 0.030 0.000 0.267 401 T C 1.812 176.441 174.700 -0.119 0.000 1.059 401 T CA 1.235 63.188 62.100 -0.244 0.000 1.137 401 T CB -0.201 68.487 68.868 -0.300 0.000 0.879 401 T HN 0.174 nan 8.240 nan 0.000 0.467 402 K N 0.773 121.115 120.400 -0.096 0.000 2.167 402 K HA -0.049 4.289 4.320 0.030 0.000 0.203 402 K C 2.173 178.750 176.600 -0.039 0.000 1.052 402 K CA 1.175 57.419 56.287 -0.071 0.000 0.956 402 K CB -0.726 31.721 32.500 -0.088 0.000 0.735 402 K HN 0.555 nan 8.250 nan 0.000 0.451 403 H N 0.184 119.182 119.070 -0.120 0.000 2.321 403 H HA -0.076 4.499 4.556 0.031 0.000 0.300 403 H C 1.930 177.206 175.328 -0.086 0.000 1.087 403 H CA 2.523 58.493 56.048 -0.130 0.000 1.319 403 H CB -0.178 29.520 29.762 -0.107 0.000 1.379 403 H HN 0.262 nan 8.280 nan 0.000 0.501 404 M N -0.096 119.466 119.600 -0.064 0.000 2.159 404 M HA -0.160 4.338 4.480 0.030 0.000 0.263 404 M C 2.286 178.569 176.300 -0.029 0.000 1.063 404 M CA 2.063 57.358 55.300 -0.008 0.000 1.110 404 M CB -0.127 32.482 32.600 0.014 0.000 1.374 404 M HN 0.483 nan 8.290 nan 0.000 0.411 405 E N 0.212 120.374 120.200 -0.064 0.000 2.118 405 E HA -0.240 4.128 4.350 0.030 0.000 0.195 405 E C 1.980 178.527 176.600 -0.089 0.000 0.992 405 E CA 1.294 57.654 56.400 -0.066 0.000 0.804 405 E CB 0.017 29.678 29.700 -0.065 0.000 0.741 405 E HN 0.561 nan 8.360 nan 0.000 0.458 406 R N -0.919 119.496 120.500 -0.141 0.000 2.115 406 R HA -0.108 4.250 4.340 0.030 0.000 0.230 406 R C 2.141 178.330 176.300 -0.186 0.000 1.111 406 R CA 1.164 57.158 56.100 -0.177 0.000 0.976 406 R CB -0.187 29.977 30.300 -0.227 0.000 0.870 406 R HN 0.372 nan 8.270 nan 0.000 0.445 407 Y N 0.775 120.963 120.300 -0.186 0.000 2.242 407 Y HA -0.178 4.390 4.550 0.031 0.000 0.291 407 Y C 2.234 177.973 175.900 -0.270 0.000 1.137 407 Y CA 0.701 58.683 58.100 -0.196 0.000 1.181 407 Y CB 0.033 38.427 38.460 -0.112 0.000 0.989 407 Y HN 0.007 nan 8.280 nan 0.000 0.527 408 L N -0.450 120.735 121.223 -0.064 0.000 2.017 408 L HA -0.266 4.092 4.340 0.030 0.000 0.208 408 L C 1.883 178.669 176.870 -0.140 0.000 1.073 408 L CA 1.311 56.062 54.840 -0.148 0.000 0.745 408 L CB -0.631 41.369 42.059 -0.099 0.000 0.894 408 L HN 0.197 nan 8.230 nan 0.000 0.432 409 D N 0.360 120.701 120.400 -0.098 0.000 2.123 409 D HA -0.172 4.486 4.640 0.030 0.000 0.196 409 D C 2.251 178.502 176.300 -0.082 0.000 0.992 409 D CA 1.290 55.241 54.000 -0.081 0.000 0.833 409 D CB -0.124 40.635 40.800 -0.069 0.000 0.954 409 D HN 0.313 nan 8.370 nan 0.000 0.455 410 I N 0.438 120.956 120.570 -0.086 0.000 2.113 410 I HA -0.238 3.950 4.170 0.030 0.000 0.238 410 I C 2.458 178.514 176.117 -0.102 0.000 1.070 410 I CA 0.733 61.994 61.300 -0.065 0.000 1.332 410 I CB -0.264 37.724 38.000 -0.020 0.000 1.044 410 I HN -0.015 nan 8.210 nan 0.000 0.402 411 L N 0.574 121.663 121.223 -0.225 0.000 2.043 411 L HA -0.258 4.100 4.340 0.030 0.000 0.212 411 L C 2.174 178.936 176.870 -0.180 0.000 1.075 411 L CA 1.379 55.999 54.840 -0.367 0.000 0.752 411 L CB -0.915 40.622 42.059 -0.870 0.000 0.891 411 L HN 0.381 nan 8.230 nan 0.000 0.432 412 N N -0.106 118.503 118.700 -0.151 0.000 2.453 412 N HA -0.115 4.643 4.740 0.030 0.000 0.183 412 N C 1.801 177.296 175.510 -0.026 0.000 1.041 412 N CA 1.491 54.499 53.050 -0.070 0.000 0.900 412 N CB -0.062 38.383 38.487 -0.070 0.000 0.961 412 N HN 0.399 nan 8.380 nan 0.000 0.443 413 S N -0.622 115.062 115.700 -0.028 0.000 2.605 413 S HA 0.222 4.709 4.470 0.030 0.000 0.217 413 S C 0.797 175.406 174.600 0.015 0.000 0.958 413 S CA -0.389 57.807 58.200 -0.006 0.000 0.919 413 S CB 0.019 63.212 63.200 -0.012 0.000 0.780 413 S HN 0.049 nan 8.310 nan 0.000 0.507 414 L N 0.352 121.597 121.223 0.036 0.000 2.440 414 L HA 0.856 5.214 4.340 0.030 0.000 0.262 414 L C 0.803 177.715 176.870 0.071 0.000 1.072 414 L CA -0.462 54.420 54.840 0.069 0.000 0.798 414 L CB 1.194 43.329 42.059 0.126 0.000 1.307 414 L HN 0.409 nan 8.230 nan 0.000 0.475 415 G N 0.000 108.839 108.800 0.065 0.000 5.446 415 G HA2 0.000 3.978 3.960 0.030 0.000 0.244 415 G HA3 0.000 3.978 3.960 0.030 0.000 0.244 415 G CA 0.000 nan 45.100 nan 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925