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 1r4n_1_C DATA FIRST_RESID 6 DATA SEQUENCE KLLKEQKYDR QLRLWGDHGQ EALESAHVCL INATATGTEI LKNLVLPGIG DATA SEQUENCE SFTIIDGNQV SGEDAGNNFF LQRSSIGKNR AEAAMEFLQE LNSDVSGSFV DATA SEQUENCE EESPENLLDN DPSFFCRFTV VVATQLPEST SLRLADVLWN SQIPLLICRT DATA SEQUENCE YGLVGYMRII IKEHPVIESH PDNALEDLRL DKPFPELREH FQSYXXXXXX DATA SEQUENCE XXDHSHTPWI VIIAKYLAQW YSETNGRIPK TYKEKEDFRD LIRQGILKXX DATA SEQUENCE XXXPEDEENF EEAIKNVNTA LNTTQIPSSI EDIFNDDRCI NITKQTPSFW DATA SEQUENCE ILARALKEFV AKEGQGNLPV RGTIPDMIAD SGKYIKLQNV YREKAKKDAA DATA SEQUENCE AVGNHVAKLL QSIGQAPESI SEKELKLLCS NSAFLRVVRC RSLAEEYGLD DATA SEQUENCE TINKDEIISS MDNPDNEIVL YLMLRAVDRF HKQQGRYPGV SNYQVEEDIG DATA SEQUENCE KLKSCLTGFL QEYGLSVMVK DDYVHEFCRY GAAEPHTIAA FLGGAAAQEV DATA SEQUENCE IKIITKQFVI FNNTYIYSGM SQTSATFQL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.630 176.600 0.050 0.000 0.988 6 K CA 0.000 56.312 56.287 0.042 0.000 0.838 6 K CB 0.000 32.519 32.500 0.031 0.000 1.064 7 L N 2.373 123.620 121.223 0.040 0.000 2.612 7 L HA 0.260 4.601 4.340 0.001 0.000 0.230 7 L C 1.287 178.182 176.870 0.042 0.000 1.140 7 L CA 0.535 55.400 54.840 0.041 0.000 0.896 7 L CB 0.190 42.266 42.059 0.029 0.000 1.065 7 L HN 0.221 nan 8.230 nan 0.000 0.447 8 L N -1.477 119.773 121.223 0.045 0.000 2.307 8 L HA 0.047 4.387 4.340 0.001 0.000 0.211 8 L C 2.213 179.115 176.870 0.054 0.000 1.099 8 L CA 1.235 56.097 54.840 0.037 0.000 0.816 8 L CB -0.305 41.771 42.059 0.028 0.000 0.952 8 L HN 0.141 nan 8.230 nan 0.000 0.455 9 K N -0.384 120.079 120.400 0.105 0.000 2.025 9 K HA -0.215 4.106 4.320 0.001 0.000 0.207 9 K C 1.929 178.673 176.600 0.240 0.000 1.049 9 K CA 1.595 58.011 56.287 0.214 0.000 0.933 9 K CB -0.079 32.576 32.500 0.258 0.000 0.714 9 K HN 0.362 nan 8.250 nan 0.000 0.438 10 E N 1.339 121.632 120.200 0.155 0.000 2.130 10 E HA -0.260 4.091 4.350 0.001 0.000 0.196 10 E C 1.932 178.584 176.600 0.087 0.000 0.998 10 E CA 1.422 57.898 56.400 0.127 0.000 0.806 10 E CB 0.136 29.883 29.700 0.078 0.000 0.738 10 E HN 0.305 nan 8.360 nan 0.000 0.459 11 Q N 0.164 119.994 119.800 0.049 0.000 2.119 11 Q HA -0.174 4.166 4.340 0.001 0.000 0.201 11 Q C 2.135 178.120 176.000 -0.024 0.000 0.972 11 Q CA 1.315 57.123 55.803 0.010 0.000 0.847 11 Q CB -0.098 28.640 28.738 -0.000 0.000 0.903 11 Q HN 0.157 nan 8.270 nan 0.000 0.433 12 K N 0.570 120.937 120.400 -0.056 0.000 1.967 12 K HA -0.125 4.196 4.320 0.001 0.000 0.212 12 K C 0.730 177.187 176.600 -0.238 0.000 1.044 12 K CA 1.098 57.254 56.287 -0.218 0.000 0.942 12 K CB -0.015 32.238 32.500 -0.412 0.000 0.726 12 K HN 0.137 nan 8.250 nan 0.000 0.440 13 Y N 1.698 122.003 120.300 0.008 0.000 2.581 13 Y HA -0.007 4.543 4.550 0.001 0.000 0.346 13 Y C 1.368 177.236 175.900 -0.052 0.000 1.147 13 Y CA -0.092 58.005 58.100 -0.006 0.000 1.353 13 Y CB -0.425 38.060 38.460 0.042 0.000 1.187 13 Y HN 0.321 nan 8.280 nan 0.000 0.505 14 D N 0.981 121.407 120.400 0.044 0.000 2.077 14 D HA -0.173 4.468 4.640 0.001 0.000 0.196 14 D C 1.810 178.071 176.300 -0.066 0.000 0.986 14 D CA 1.097 55.094 54.000 -0.004 0.000 0.829 14 D CB 0.379 41.170 40.800 -0.015 0.000 0.983 14 D HN 0.182 nan 8.370 nan 0.000 0.453 15 R N 0.383 120.836 120.500 -0.079 0.000 2.261 15 R HA -0.164 4.177 4.340 0.001 0.000 0.236 15 R C 2.161 178.333 176.300 -0.213 0.000 1.141 15 R CA 1.092 57.119 56.100 -0.121 0.000 1.001 15 R CB -0.674 29.566 30.300 -0.099 0.000 0.866 15 R HN 0.656 nan 8.270 nan 0.000 0.468 16 Q N -0.977 118.663 119.800 -0.266 0.000 2.317 16 Q HA 0.169 4.510 4.340 0.001 0.000 0.220 16 Q C 1.686 177.204 176.000 -0.803 0.000 0.873 16 Q CA 0.010 55.459 55.803 -0.590 0.000 0.936 16 Q CB 0.074 28.470 28.738 -0.569 0.000 1.105 16 Q HN 0.204 nan 8.270 nan 0.000 0.520 17 L N 0.497 121.486 121.223 -0.389 0.000 2.313 17 L HA 0.082 4.423 4.340 0.001 0.000 0.214 17 L C 1.905 178.634 176.870 -0.236 0.000 1.119 17 L CA 0.618 55.288 54.840 -0.284 0.000 0.809 17 L CB 0.004 42.024 42.059 -0.066 0.000 0.933 17 L HN 0.216 nan 8.230 nan 0.000 0.449 18 R N -0.544 119.821 120.500 -0.225 0.000 2.323 18 R HA 0.035 4.375 4.340 0.001 0.000 0.198 18 R C 1.628 177.827 176.300 -0.169 0.000 0.988 18 R CA 0.444 56.458 56.100 -0.144 0.000 1.041 18 R CB 0.198 30.429 30.300 -0.114 0.000 0.926 18 R HN 0.362 nan 8.270 nan 0.000 0.476 19 L N -1.629 119.410 121.223 -0.307 0.000 2.453 19 L HA 0.124 4.464 4.340 0.001 0.000 0.190 19 L C 0.873 177.711 176.870 -0.054 0.000 1.093 19 L CA 0.278 54.976 54.840 -0.237 0.000 0.834 19 L CB -0.007 41.819 42.059 -0.389 0.000 1.090 19 L HN 0.345 nan 8.230 nan 0.000 0.489 20 W N 0.928 122.232 121.300 0.007 0.000 2.570 20 W HA 0.677 5.338 4.660 0.001 0.000 0.410 20 W C 0.539 176.953 176.519 -0.175 0.000 0.889 20 W CA -0.973 56.371 57.345 -0.003 0.000 2.386 20 W CB -1.247 28.253 29.460 0.068 0.000 1.228 20 W HN 0.132 nan 8.180 nan 0.000 0.692 21 G N 1.907 110.745 108.800 0.064 0.000 2.915 21 G HA2 -0.414 3.546 3.960 0.001 0.000 0.291 21 G HA3 -0.414 3.546 3.960 0.001 0.000 0.291 21 G C 0.416 175.358 174.900 0.070 0.000 1.445 21 G CA 0.727 45.866 45.100 0.066 0.000 0.938 21 G HN 0.343 nan 8.290 nan 0.000 0.556 22 D N -0.262 120.223 120.400 0.143 0.000 2.117 22 D HA -0.085 4.556 4.640 0.001 0.000 0.197 22 D C 2.180 178.551 176.300 0.118 0.000 0.987 22 D CA 1.968 56.047 54.000 0.131 0.000 0.829 22 D CB -0.245 40.635 40.800 0.133 0.000 0.961 22 D HN 0.766 nan 8.370 nan 0.000 0.460 23 H N 0.030 119.161 119.070 0.102 0.000 2.387 23 H HA 0.021 4.577 4.556 0.001 0.000 0.299 23 H C 2.216 177.585 175.328 0.069 0.000 1.090 23 H CA 1.553 57.643 56.048 0.069 0.000 1.332 23 H CB -0.976 28.817 29.762 0.053 0.000 1.386 23 H HN 0.214 nan 8.280 nan 0.000 0.516 24 G N 0.776 109.314 108.800 -0.437 0.000 2.433 24 G HA2 -0.350 3.610 3.960 0.001 0.000 0.216 24 G HA3 -0.350 3.610 3.960 0.001 0.000 0.216 24 G C 1.786 176.555 174.900 -0.217 0.000 1.186 24 G CA 1.015 45.950 45.100 -0.276 0.000 0.779 24 G HN 0.433 nan 8.290 nan 0.000 0.543 25 Q N 0.623 120.440 119.800 0.027 0.000 2.096 25 Q HA -0.151 4.189 4.340 0.001 0.000 0.208 25 Q C 2.370 178.329 176.000 -0.069 0.000 0.993 25 Q CA 2.228 58.054 55.803 0.038 0.000 0.862 25 Q CB -0.486 28.324 28.738 0.120 0.000 0.915 25 Q HN 0.663 nan 8.270 nan 0.000 0.416 26 E N -0.683 119.502 120.200 -0.025 0.000 2.065 26 E HA -0.294 4.056 4.350 0.001 0.000 0.201 26 E C 1.849 178.422 176.600 -0.046 0.000 1.016 26 E CA 1.289 57.677 56.400 -0.020 0.000 0.818 26 E CB -0.336 29.381 29.700 0.028 0.000 0.749 26 E HN 0.520 nan 8.360 nan 0.000 0.453 27 A N 1.116 123.901 122.820 -0.059 0.000 1.877 27 A HA -0.181 4.139 4.320 0.001 0.000 0.216 27 A C 2.144 179.664 177.584 -0.106 0.000 1.186 27 A CA 1.210 53.205 52.037 -0.070 0.000 0.620 27 A CB -0.592 18.365 19.000 -0.071 0.000 0.822 27 A HN 0.239 nan 8.150 nan 0.000 0.443 28 L N 0.560 121.675 121.223 -0.181 0.000 1.989 28 L HA -0.150 4.191 4.340 0.001 0.000 0.211 28 L C 1.952 178.751 176.870 -0.117 0.000 1.071 28 L CA 2.404 57.123 54.840 -0.202 0.000 0.749 28 L CB -1.097 40.757 42.059 -0.342 0.000 0.890 28 L HN 0.537 nan 8.230 nan 0.000 0.431 29 E N -1.041 119.092 120.200 -0.112 0.000 2.463 29 E HA -0.098 4.252 4.350 0.001 0.000 0.201 29 E C 1.248 177.817 176.600 -0.052 0.000 1.045 29 E CA 0.822 57.172 56.400 -0.083 0.000 0.872 29 E CB -0.039 29.601 29.700 -0.100 0.000 0.797 29 E HN 0.465 nan 8.360 nan 0.000 0.538 30 S N -0.267 115.405 115.700 -0.046 0.000 2.629 30 S HA 0.280 4.751 4.470 0.001 0.000 0.236 30 S C 0.375 174.970 174.600 -0.009 0.000 1.010 30 S CA -0.285 57.897 58.200 -0.029 0.000 0.981 30 S CB 0.897 64.082 63.200 -0.026 0.000 0.919 30 S HN 0.262 nan 8.310 nan 0.000 0.514 31 A N 1.352 124.172 122.820 0.000 0.000 2.388 31 A HA 0.686 5.007 4.320 0.001 0.000 0.280 31 A C -0.062 177.603 177.584 0.135 0.000 1.377 31 A CA -0.264 51.801 52.037 0.048 0.000 0.863 31 A CB 0.315 19.330 19.000 0.025 0.000 1.416 31 A HN 0.579 nan 8.150 nan 0.000 0.517 32 H N -1.628 117.478 119.070 0.061 0.000 3.298 32 H HA 0.408 4.964 4.556 0.001 0.000 0.328 32 H C -1.946 173.531 175.328 0.248 0.000 1.278 32 H CA -0.694 55.431 56.048 0.129 0.000 1.609 32 H CB 0.929 30.727 29.762 0.059 0.000 2.082 32 H HN 0.443 nan 8.280 nan 0.000 0.465 33 V N 4.287 124.471 119.914 0.450 0.000 2.509 33 V HA 0.137 4.257 4.120 0.001 0.000 0.284 33 V C 0.242 176.415 176.094 0.132 0.000 1.047 33 V CA -0.435 62.006 62.300 0.236 0.000 0.952 33 V CB 1.254 33.164 31.823 0.145 0.000 0.988 33 V HN 0.819 nan 8.190 nan 0.000 0.469 34 C N 7.851 126.984 119.300 -0.278 0.000 2.264 34 C HA 0.659 5.120 4.460 0.001 0.000 0.322 34 C C -0.453 174.376 174.990 -0.268 0.000 1.210 34 C CA -0.867 57.745 59.018 -0.677 0.000 1.539 34 C CB -0.266 26.323 27.740 -1.919 0.000 2.167 34 C HN 0.796 nan 8.230 nan 0.000 0.463 35 L N 8.585 129.756 121.223 -0.087 0.000 2.257 35 L HA 0.433 4.773 4.340 0.001 0.000 0.290 35 L C 0.575 177.452 176.870 0.012 0.000 1.044 35 L CA -0.097 54.724 54.840 -0.032 0.000 0.810 35 L CB 0.262 42.308 42.059 -0.022 0.000 1.193 35 L HN 0.616 nan 8.230 nan 0.000 0.425 36 I N 3.235 123.820 120.570 0.025 0.000 2.209 36 I HA -0.104 4.066 4.170 0.001 0.000 0.220 36 I C 0.878 177.042 176.117 0.078 0.000 1.056 36 I CA 0.720 62.067 61.300 0.078 0.000 1.354 36 I CB -0.580 37.471 38.000 0.086 0.000 1.145 36 I HN 0.718 nan 8.210 nan 0.000 0.396 37 N N 0.561 119.301 118.700 0.065 0.000 2.514 37 N HA 0.302 5.042 4.740 0.001 0.000 0.277 37 N C -0.278 175.260 175.510 0.047 0.000 1.126 37 N CA -0.212 52.876 53.050 0.063 0.000 0.978 37 N CB 1.008 39.531 38.487 0.060 0.000 1.106 37 N HN 0.374 nan 8.380 nan 0.000 0.461 38 A N 2.028 124.880 122.820 0.054 0.000 3.157 38 A HA 0.194 4.514 4.320 0.001 0.000 0.276 38 A C 0.649 178.257 177.584 0.040 0.000 1.524 38 A CA -0.598 51.462 52.037 0.040 0.000 1.236 38 A CB -0.705 18.328 19.000 0.055 0.000 1.173 38 A HN 0.704 nan 8.150 nan 0.000 0.595 39 T N -2.447 112.127 114.554 0.034 0.000 2.946 39 T HA 0.630 4.980 4.350 0.001 0.000 0.295 39 T C 1.684 176.411 174.700 0.046 0.000 1.143 39 T CA 0.108 62.231 62.100 0.039 0.000 0.944 39 T CB 0.372 69.257 68.868 0.028 0.000 1.800 39 T HN 0.592 nan 8.240 nan 0.000 0.590 40 A N 0.787 123.640 122.820 0.055 0.000 1.851 40 A HA -0.059 4.261 4.320 0.001 0.000 0.216 40 A C 2.487 180.073 177.584 0.002 0.000 1.195 40 A CA 2.601 54.682 52.037 0.074 0.000 0.622 40 A CB -2.039 17.001 19.000 0.067 0.000 0.831 40 A HN 0.889 nan 8.150 nan 0.000 0.444 41 T N -0.124 114.419 114.554 -0.019 0.000 2.607 41 T HA -0.097 4.254 4.350 0.001 0.000 0.267 41 T C 2.012 176.691 174.700 -0.034 0.000 1.049 41 T CA 1.754 63.835 62.100 -0.030 0.000 1.162 41 T CB -1.034 67.833 68.868 -0.001 0.000 0.863 41 T HN 0.617 nan 8.240 nan 0.000 0.424 42 G N 0.720 109.508 108.800 -0.020 0.000 2.446 42 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 42 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 42 G C 1.758 176.608 174.900 -0.084 0.000 1.168 42 G CA 1.572 46.649 45.100 -0.038 0.000 0.771 42 G HN 0.458 nan 8.290 nan 0.000 0.551 43 T N 0.489 115.002 114.554 -0.069 0.000 2.684 43 T HA -0.085 4.265 4.350 0.001 0.000 0.267 43 T C 2.352 176.936 174.700 -0.193 0.000 1.036 43 T CA 1.566 63.582 62.100 -0.140 0.000 1.148 43 T CB -0.165 68.697 68.868 -0.010 0.000 0.863 43 T HN 0.213 nan 8.240 nan 0.000 0.436 44 E N 0.726 120.880 120.200 -0.076 0.000 2.085 44 E HA -0.065 4.285 4.350 0.001 0.000 0.194 44 E C 2.236 178.767 176.600 -0.115 0.000 0.994 44 E CA 0.817 57.178 56.400 -0.065 0.000 0.801 44 E CB -0.450 29.205 29.700 -0.074 0.000 0.743 44 E HN 0.554 nan 8.360 nan 0.000 0.453 45 I N 0.535 121.035 120.570 -0.117 0.000 2.099 45 I HA -0.301 3.869 4.170 0.001 0.000 0.239 45 I C 2.510 178.536 176.117 -0.151 0.000 1.066 45 I CA 0.807 62.036 61.300 -0.118 0.000 1.324 45 I CB -0.400 37.543 38.000 -0.095 0.000 1.037 45 I HN 0.095 nan 8.210 nan 0.000 0.401 46 L N 1.164 122.263 121.223 -0.207 0.000 2.043 46 L HA -0.263 4.078 4.340 0.001 0.000 0.212 46 L C 2.507 179.193 176.870 -0.307 0.000 1.075 46 L CA 1.887 56.547 54.840 -0.300 0.000 0.752 46 L CB -0.842 40.950 42.059 -0.446 0.000 0.891 46 L HN 0.174 nan 8.230 nan 0.000 0.432 47 K N -0.184 120.023 120.400 -0.322 0.000 2.032 47 K HA -0.193 4.127 4.320 0.001 0.000 0.209 47 K C 1.617 178.160 176.600 -0.095 0.000 1.048 47 K CA 1.748 57.880 56.287 -0.258 0.000 0.927 47 K CB -0.434 31.920 32.500 -0.244 0.000 0.712 47 K HN 0.462 nan 8.250 nan 0.000 0.441 48 N N 0.931 119.582 118.700 -0.080 0.000 2.609 48 N HA -0.072 4.669 4.740 0.001 0.000 0.190 48 N C 1.588 177.087 175.510 -0.018 0.000 1.157 48 N CA 0.554 53.582 53.050 -0.037 0.000 0.918 48 N CB 0.167 38.618 38.487 -0.061 0.000 0.978 48 N HN 0.298 nan 8.380 nan 0.000 0.448 49 L N -0.950 120.246 121.223 -0.045 0.000 2.445 49 L HA 0.114 4.454 4.340 0.001 0.000 0.207 49 L C 2.023 178.910 176.870 0.029 0.000 1.053 49 L CA 0.197 55.026 54.840 -0.018 0.000 0.841 49 L CB -0.200 41.828 42.059 -0.052 0.000 1.074 49 L HN -0.162 nan 8.230 nan 0.000 0.479 50 V N 0.855 120.764 119.914 -0.008 0.000 2.332 50 V HA -0.301 3.820 4.120 0.001 0.000 0.248 50 V C 2.451 178.623 176.094 0.130 0.000 1.055 50 V CA 1.819 64.157 62.300 0.064 0.000 1.038 50 V CB -0.415 31.410 31.823 0.003 0.000 0.651 50 V HN 0.289 nan 8.190 nan 0.000 0.450 51 L N -0.277 121.011 121.223 0.109 0.000 1.989 51 L HA -0.152 4.189 4.340 0.001 0.000 0.211 51 L C -0.043 176.970 176.870 0.238 0.000 1.071 51 L CA 2.039 56.962 54.840 0.140 0.000 0.749 51 L CB -1.839 40.281 42.059 0.101 0.000 0.890 51 L HN 0.323 nan 8.230 nan 0.000 0.431 52 P HA -0.105 nan 4.420 nan 0.000 0.229 52 P C 0.806 178.344 177.300 0.397 0.000 1.150 52 P CA 1.623 64.950 63.100 0.378 0.000 0.765 52 P CB -0.052 31.840 31.700 0.320 0.000 0.783 53 G N -0.950 108.064 108.800 0.358 0.000 2.141 53 G HA2 -0.285 3.675 3.960 0.001 0.000 0.242 53 G HA3 -0.285 3.675 3.960 0.001 0.000 0.242 53 G C 0.215 175.159 174.900 0.073 0.000 0.982 53 G CA -0.243 45.007 45.100 0.250 0.000 0.662 53 G HN 0.473 nan 8.290 nan 0.000 0.527 54 I N 1.135 121.749 120.570 0.074 0.000 3.087 54 I HA 0.149 4.319 4.170 0.001 0.000 0.318 54 I C 1.835 177.985 176.117 0.055 0.000 1.209 54 I CA 1.429 62.752 61.300 0.038 0.000 1.460 54 I CB 0.290 38.329 38.000 0.065 0.000 1.306 54 I HN 0.280 nan 8.210 nan 0.000 0.560 55 G N 5.811 114.621 108.800 0.017 0.000 2.721 55 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 55 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 55 G C 0.235 175.129 174.900 -0.009 0.000 1.265 55 G CA 1.193 46.291 45.100 -0.004 0.000 0.796 55 G HN 0.886 nan 8.290 nan 0.000 0.620 56 S N -1.717 113.978 115.700 -0.007 0.000 2.588 56 S HA 0.645 5.115 4.470 0.001 0.000 0.269 56 S C -1.015 173.682 174.600 0.161 0.000 1.157 56 S CA -0.746 57.399 58.200 -0.091 0.000 0.824 56 S CB 2.034 64.969 63.200 -0.442 0.000 1.126 56 S HN 1.118 nan 8.310 nan 0.000 0.464 57 F N -1.592 118.420 119.950 0.103 0.000 2.626 57 F HA 0.916 5.444 4.527 0.001 0.000 0.311 57 F C -1.117 174.892 175.800 0.350 0.000 1.088 57 F CA -0.733 57.442 58.000 0.292 0.000 0.949 57 F CB 1.642 40.733 39.000 0.151 0.000 1.322 57 F HN 0.545 nan 8.300 nan 0.000 0.461 58 T N 3.439 118.366 114.554 0.621 0.000 2.949 58 T HA 0.504 4.854 4.350 0.001 0.000 0.300 58 T C -0.741 174.201 174.700 0.404 0.000 0.988 58 T CA -0.332 62.053 62.100 0.475 0.000 0.993 58 T CB 0.986 70.203 68.868 0.582 0.000 0.984 58 T HN 0.596 nan 8.240 nan 0.000 0.442 59 I N 4.129 124.959 120.570 0.433 0.000 2.325 59 I HA 0.399 4.570 4.170 0.001 0.000 0.291 59 I C -0.111 176.172 176.117 0.276 0.000 1.019 59 I CA -0.557 60.934 61.300 0.319 0.000 1.302 59 I CB 0.993 39.190 38.000 0.329 0.000 1.401 59 I HN 0.516 nan 8.210 nan 0.000 0.485 60 I N 6.266 126.955 120.570 0.197 0.000 2.361 60 I HA 0.256 4.427 4.170 0.001 0.000 0.282 60 I C -0.437 175.773 176.117 0.154 0.000 1.075 60 I CA -0.012 61.397 61.300 0.181 0.000 1.205 60 I CB 0.372 38.473 38.000 0.169 0.000 1.406 60 I HN 0.529 nan 8.210 nan 0.000 0.481 61 D N 3.641 124.137 120.400 0.160 0.000 2.780 61 D HA 0.368 5.008 4.640 0.001 0.000 0.242 61 D C 0.497 176.869 176.300 0.119 0.000 1.135 61 D CA -0.375 53.702 54.000 0.127 0.000 0.859 61 D CB 2.753 43.622 40.800 0.114 0.000 1.530 61 D HN 0.525 nan 8.370 nan 0.000 0.493 62 G N 2.718 111.578 108.800 0.099 0.000 2.762 62 G HA2 -0.029 3.931 3.960 0.001 0.000 0.209 62 G HA3 -0.029 3.931 3.960 0.001 0.000 0.209 62 G C 0.828 175.775 174.900 0.079 0.000 1.134 62 G CA -0.126 45.026 45.100 0.088 0.000 0.781 62 G HN 0.396 nan 8.290 nan 0.000 0.528 63 N N 0.735 119.481 118.700 0.077 0.000 2.260 63 N HA 0.137 4.877 4.740 0.001 0.000 0.230 63 N C -0.130 175.417 175.510 0.061 0.000 1.323 63 N CA 0.495 53.586 53.050 0.068 0.000 0.897 63 N CB 0.425 38.952 38.487 0.067 0.000 1.146 63 N HN 0.225 nan 8.380 nan 0.000 0.460 64 Q N 0.138 119.970 119.800 0.054 0.000 2.306 64 Q HA 0.380 4.721 4.340 0.001 0.000 0.265 64 Q C -0.774 175.250 176.000 0.041 0.000 1.022 64 Q CA -0.854 54.977 55.803 0.046 0.000 0.853 64 Q CB 2.160 30.924 28.738 0.043 0.000 1.327 64 Q HN 0.264 nan 8.270 nan 0.000 0.449 65 V N 2.220 122.155 119.914 0.035 0.000 2.450 65 V HA 0.006 4.127 4.120 0.001 0.000 0.281 65 V C 0.469 176.578 176.094 0.025 0.000 1.019 65 V CA 0.295 62.613 62.300 0.029 0.000 1.062 65 V CB 0.633 32.471 31.823 0.025 0.000 0.979 65 V HN 0.710 nan 8.190 nan 0.000 0.477 66 S N 4.223 119.937 115.700 0.024 0.000 2.672 66 S HA 0.523 4.993 4.470 0.001 0.000 0.276 66 S C 1.461 176.068 174.600 0.012 0.000 1.207 66 S CA 0.020 58.233 58.200 0.021 0.000 1.002 66 S CB 1.607 64.822 63.200 0.025 0.000 0.998 66 S HN 0.908 nan 8.310 nan 0.000 0.542 67 G N 1.502 110.308 108.800 0.010 0.000 2.446 67 G HA2 -0.220 3.741 3.960 0.001 0.000 0.217 67 G HA3 -0.220 3.741 3.960 0.001 0.000 0.217 67 G C 1.104 176.003 174.900 -0.002 0.000 1.168 67 G CA 1.087 46.188 45.100 0.002 0.000 0.771 67 G HN 0.953 nan 8.290 nan 0.000 0.551 68 E N 0.208 120.409 120.200 0.002 0.000 2.401 68 E HA -0.085 4.266 4.350 0.001 0.000 0.199 68 E C 1.280 177.880 176.600 0.001 0.000 1.023 68 E CA 1.107 57.506 56.400 -0.001 0.000 0.859 68 E CB -0.085 29.615 29.700 -0.001 0.000 0.780 68 E HN 0.299 nan 8.360 nan 0.000 0.523 69 D N 1.560 121.963 120.400 0.005 0.000 2.106 69 D HA -0.019 4.622 4.640 0.001 0.000 0.203 69 D C 2.052 178.351 176.300 -0.002 0.000 0.977 69 D CA 1.532 55.539 54.000 0.010 0.000 0.844 69 D CB -0.312 40.498 40.800 0.017 0.000 1.002 69 D HN 0.298 nan 8.370 nan 0.000 0.461 70 A N 0.810 123.619 122.820 -0.019 0.000 2.131 70 A HA -0.063 4.257 4.320 0.001 0.000 0.220 70 A C 2.171 179.723 177.584 -0.053 0.000 1.158 70 A CA 1.925 53.931 52.037 -0.051 0.000 0.665 70 A CB -0.808 18.161 19.000 -0.052 0.000 0.795 70 A HN 0.307 nan 8.150 nan 0.000 0.460 71 G N 0.126 108.908 108.800 -0.030 0.000 2.551 71 G HA2 -0.087 3.873 3.960 0.001 0.000 0.216 71 G HA3 -0.087 3.873 3.960 0.001 0.000 0.216 71 G C 0.906 175.791 174.900 -0.026 0.000 1.137 71 G CA 0.766 45.848 45.100 -0.031 0.000 0.798 71 G HN 0.876 nan 8.290 nan 0.000 0.536 72 N N -1.524 117.179 118.700 0.005 0.000 2.194 72 N HA 0.103 4.843 4.740 0.001 0.000 0.231 72 N C -0.482 175.111 175.510 0.138 0.000 1.247 72 N CA -0.470 52.611 53.050 0.053 0.000 0.884 72 N CB 0.401 38.940 38.487 0.087 0.000 1.146 72 N HN -0.061 nan 8.380 nan 0.000 0.516 73 N N 0.756 119.496 118.700 0.067 0.000 2.372 73 N HA 0.146 4.887 4.740 0.001 0.000 0.285 73 N C -1.063 174.484 175.510 0.062 0.000 1.008 73 N CA -0.533 52.599 53.050 0.138 0.000 0.880 73 N CB 1.190 39.731 38.487 0.089 0.000 1.239 73 N HN 0.097 nan 8.380 nan 0.000 0.484 74 F N 3.024 122.960 119.950 -0.024 0.000 2.804 74 F HA 0.310 4.837 4.527 0.001 0.000 0.303 74 F C -0.194 175.183 175.800 -0.705 0.000 1.154 74 F CA 0.090 57.887 58.000 -0.338 0.000 1.401 74 F CB -0.042 38.761 39.000 -0.328 0.000 1.106 74 F HN 0.375 nan 8.300 nan 0.000 0.568 75 F N 1.033 120.848 119.950 -0.225 0.000 2.749 75 F HA 0.405 4.932 4.527 0.001 0.000 0.380 75 F C -0.832 174.595 175.800 -0.622 0.000 1.365 75 F CA -0.338 57.414 58.000 -0.413 0.000 1.186 75 F CB 0.379 39.340 39.000 -0.065 0.000 1.080 75 F HN -0.328 nan 8.300 nan 0.000 0.513 76 L N 0.987 121.841 121.223 -0.616 0.000 2.737 76 L HA 0.303 4.643 4.340 0.001 0.000 0.261 76 L C -0.741 175.873 176.870 -0.426 0.000 0.949 76 L CA -0.446 54.115 54.840 -0.465 0.000 0.952 76 L CB 2.152 44.124 42.059 -0.146 0.000 1.337 76 L HN 0.122 nan 8.230 nan 0.000 0.430 77 Q N 1.387 120.949 119.800 -0.395 0.000 2.180 77 Q HA 0.378 4.719 4.340 0.001 0.000 0.241 77 Q C 0.819 176.767 176.000 -0.087 0.000 0.970 77 Q CA -0.600 55.076 55.803 -0.212 0.000 0.919 77 Q CB 2.398 31.068 28.738 -0.114 0.000 1.222 77 Q HN 0.487 nan 8.270 nan 0.000 0.482 78 R N 0.510 120.973 120.500 -0.061 0.000 2.096 78 R HA -0.208 4.132 4.340 0.001 0.000 0.240 78 R C 2.048 178.346 176.300 -0.004 0.000 1.139 78 R CA 2.342 58.425 56.100 -0.030 0.000 0.952 78 R CB -0.364 29.921 30.300 -0.026 0.000 0.854 78 R HN 0.796 nan 8.270 nan 0.000 0.436 79 S N -0.087 115.619 115.700 0.010 0.000 2.441 79 S HA -0.191 4.280 4.470 0.001 0.000 0.242 79 S C 1.777 176.405 174.600 0.046 0.000 1.018 79 S CA 1.587 59.806 58.200 0.032 0.000 0.988 79 S CB -0.434 62.796 63.200 0.051 0.000 0.778 79 S HN 0.563 nan 8.310 nan 0.000 0.498 80 S N 0.455 116.187 115.700 0.054 0.000 2.556 80 S HA 0.369 4.839 4.470 0.001 0.000 0.216 80 S C 0.508 175.129 174.600 0.035 0.000 0.970 80 S CA -0.663 57.576 58.200 0.065 0.000 0.912 80 S CB -0.673 62.597 63.200 0.117 0.000 0.790 80 S HN 0.529 nan 8.310 nan 0.000 0.504 81 I N 2.518 123.100 120.570 0.020 0.000 2.683 81 I HA 0.301 4.472 4.170 0.001 0.000 0.286 81 I C 1.627 177.757 176.117 0.021 0.000 1.175 81 I CA 1.206 62.516 61.300 0.016 0.000 1.429 81 I CB 0.201 38.207 38.000 0.009 0.000 1.371 81 I HN 0.511 nan 8.210 nan 0.000 0.569 82 G N 5.135 113.949 108.800 0.023 0.000 2.358 82 G HA2 -0.234 3.727 3.960 0.001 0.000 0.224 82 G HA3 -0.234 3.727 3.960 0.001 0.000 0.224 82 G C 0.565 175.481 174.900 0.027 0.000 1.073 82 G CA -0.269 44.846 45.100 0.025 0.000 0.635 82 G HN 0.547 nan 8.290 nan 0.000 0.509 83 K N 0.555 120.970 120.400 0.026 0.000 2.462 83 K HA 0.250 4.570 4.320 0.001 0.000 0.257 83 K C 0.442 177.055 176.600 0.023 0.000 1.062 83 K CA -0.047 56.254 56.287 0.022 0.000 0.923 83 K CB 0.180 32.689 32.500 0.015 0.000 1.210 83 K HN 0.291 nan 8.250 nan 0.000 0.502 84 N N 1.242 119.948 118.700 0.011 0.000 2.415 84 N HA -0.022 4.719 4.740 0.001 0.000 0.246 84 N C 1.039 176.554 175.510 0.009 0.000 1.078 84 N CA -0.157 52.905 53.050 0.020 0.000 0.942 84 N CB 0.585 39.091 38.487 0.032 0.000 1.140 84 N HN 0.430 nan 8.380 nan 0.000 0.501 85 R N 3.716 124.237 120.500 0.035 0.000 2.190 85 R HA -0.312 4.028 4.340 0.001 0.000 0.255 85 R C 1.540 177.866 176.300 0.044 0.000 1.143 85 R CA 2.362 58.488 56.100 0.043 0.000 0.965 85 R CB -0.463 29.869 30.300 0.053 0.000 0.889 85 R HN 0.720 nan 8.270 nan 0.000 0.448 86 A N 0.848 123.701 122.820 0.055 0.000 1.841 86 A HA -0.268 4.052 4.320 0.001 0.000 0.216 86 A C 2.095 179.653 177.584 -0.044 0.000 1.199 86 A CA 1.817 53.903 52.037 0.082 0.000 0.621 86 A CB -0.872 18.235 19.000 0.179 0.000 0.835 86 A HN 0.689 nan 8.150 nan 0.000 0.445 87 E N -0.242 119.782 120.200 -0.293 0.000 2.023 87 E HA -0.174 4.176 4.350 0.001 0.000 0.196 87 E C 2.185 178.598 176.600 -0.311 0.000 1.003 87 E CA 1.454 57.381 56.400 -0.788 0.000 0.809 87 E CB -0.387 28.751 29.700 -0.938 0.000 0.755 87 E HN 0.492 nan 8.360 nan 0.000 0.449 88 A N 1.451 124.199 122.820 -0.121 0.000 1.881 88 A HA -0.293 4.027 4.320 0.001 0.000 0.219 88 A C 2.516 180.232 177.584 0.220 0.000 1.215 88 A CA 2.960 55.033 52.037 0.061 0.000 0.648 88 A CB -1.396 17.659 19.000 0.093 0.000 0.832 88 A HN 0.516 nan 8.150 nan 0.000 0.455 89 A N -1.097 121.826 122.820 0.172 0.000 1.883 89 A HA -0.217 4.103 4.320 0.001 0.000 0.217 89 A C 2.292 180.029 177.584 0.256 0.000 1.186 89 A CA 2.248 54.422 52.037 0.228 0.000 0.624 89 A CB -0.643 18.429 19.000 0.121 0.000 0.822 89 A HN 0.634 nan 8.150 nan 0.000 0.444 90 M N -0.350 119.364 119.600 0.189 0.000 2.088 90 M HA -0.278 4.202 4.480 0.001 0.000 0.256 90 M C 2.007 178.449 176.300 0.236 0.000 1.071 90 M CA 2.530 57.999 55.300 0.281 0.000 1.097 90 M CB -0.591 32.146 32.600 0.229 0.000 1.315 90 M HN 0.598 nan 8.290 nan 0.000 0.406 91 E N -0.707 119.548 120.200 0.091 0.000 2.171 91 E HA -0.230 4.120 4.350 0.001 0.000 0.197 91 E C 1.680 178.234 176.600 -0.078 0.000 0.997 91 E CA 1.739 58.113 56.400 -0.043 0.000 0.810 91 E CB -0.276 29.301 29.700 -0.206 0.000 0.738 91 E HN 0.544 nan 8.360 nan 0.000 0.467 92 F N 0.226 120.260 119.950 0.139 0.000 2.179 92 F HA -0.035 4.493 4.527 0.001 0.000 0.292 92 F C 2.135 178.121 175.800 0.309 0.000 1.089 92 F CA 0.592 58.718 58.000 0.210 0.000 1.295 92 F CB -0.245 38.916 39.000 0.268 0.000 1.041 92 F HN -0.086 nan 8.300 nan 0.000 0.487 93 L N -0.249 121.230 121.223 0.426 0.000 2.046 93 L HA -0.243 4.097 4.340 0.001 0.000 0.208 93 L C 2.491 179.509 176.870 0.246 0.000 1.077 93 L CA 1.333 56.268 54.840 0.157 0.000 0.747 93 L CB -0.869 41.077 42.059 -0.190 0.000 0.896 93 L HN 0.130 nan 8.230 nan 0.000 0.432 94 Q N 0.821 120.806 119.800 0.309 0.000 2.197 94 Q HA -0.292 4.048 4.340 0.001 0.000 0.211 94 Q C 1.961 178.071 176.000 0.184 0.000 0.993 94 Q CA 2.011 57.978 55.803 0.273 0.000 0.883 94 Q CB -0.182 28.663 28.738 0.179 0.000 0.916 94 Q HN 0.497 nan 8.270 nan 0.000 0.418 95 E N -0.540 119.758 120.200 0.164 0.000 2.204 95 E HA -0.133 4.218 4.350 0.001 0.000 0.194 95 E C 1.984 178.675 176.600 0.152 0.000 0.989 95 E CA 0.901 57.377 56.400 0.127 0.000 0.824 95 E CB -0.129 29.633 29.700 0.104 0.000 0.756 95 E HN 0.419 nan 8.360 nan 0.000 0.477 96 L N 0.552 121.899 121.223 0.207 0.000 2.043 96 L HA -0.156 4.185 4.340 0.001 0.000 0.212 96 L C 1.313 178.267 176.870 0.140 0.000 1.075 96 L CA 0.824 55.780 54.840 0.193 0.000 0.752 96 L CB -0.173 42.016 42.059 0.217 0.000 0.891 96 L HN 0.080 nan 8.230 nan 0.000 0.432 97 N N -1.253 117.534 118.700 0.145 0.000 2.533 97 N HA 0.048 4.789 4.740 0.001 0.000 0.289 97 N C 0.427 176.011 175.510 0.124 0.000 1.103 97 N CA 0.160 53.288 53.050 0.129 0.000 0.877 97 N CB 1.670 40.254 38.487 0.161 0.000 1.419 97 N HN -0.065 nan 8.380 nan 0.000 0.517 98 S N 1.338 117.093 115.700 0.092 0.000 2.595 98 S HA -0.016 4.455 4.470 0.001 0.000 0.235 98 S C 0.268 174.914 174.600 0.077 0.000 0.974 98 S CA 0.609 58.854 58.200 0.074 0.000 0.942 98 S CB 0.110 63.341 63.200 0.052 0.000 0.766 98 S HN 0.442 nan 8.310 nan 0.000 0.536 99 D N 0.902 121.367 120.400 0.108 0.000 2.395 99 D HA 0.284 4.924 4.640 0.001 0.000 0.213 99 D C -0.328 176.031 176.300 0.098 0.000 1.110 99 D CA 0.046 54.112 54.000 0.109 0.000 0.835 99 D CB 0.849 41.752 40.800 0.171 0.000 0.965 99 D HN 0.273 nan 8.370 nan 0.000 0.505 100 V N 1.172 121.150 119.914 0.107 0.000 2.513 100 V HA 0.375 4.495 4.120 0.001 0.000 0.299 100 V C 0.156 176.267 176.094 0.029 0.000 1.035 100 V CA -1.004 61.360 62.300 0.107 0.000 0.889 100 V CB 1.962 33.919 31.823 0.223 0.000 0.988 100 V HN 0.068 nan 8.190 nan 0.000 0.440 101 S N 2.551 118.207 115.700 -0.073 0.000 2.420 101 S HA 0.695 5.165 4.470 0.001 0.000 0.313 101 S C 0.147 174.486 174.600 -0.435 0.000 1.079 101 S CA -0.462 57.628 58.200 -0.184 0.000 1.104 101 S CB 1.160 64.255 63.200 -0.175 0.000 0.969 101 S HN 1.083 nan 8.310 nan 0.000 0.471 102 G N 1.927 110.419 108.800 -0.512 0.000 2.389 102 G HA2 0.613 4.573 3.960 0.001 0.000 0.317 102 G HA3 0.613 4.573 3.960 0.001 0.000 0.317 102 G C -0.711 173.945 174.900 -0.406 0.000 1.137 102 G CA -0.651 43.857 45.100 -0.988 0.000 0.870 102 G HN 0.731 nan 8.290 nan 0.000 0.496 103 S N -0.718 114.800 115.700 -0.302 0.000 2.607 103 S HA 0.806 5.276 4.470 0.001 0.000 0.273 103 S C -1.147 173.592 174.600 0.233 0.000 1.148 103 S CA -0.609 57.596 58.200 0.008 0.000 0.833 103 S CB 1.662 64.855 63.200 -0.012 0.000 1.130 103 S HN 0.952 nan 8.310 nan 0.000 0.470 104 F N -1.390 118.611 119.950 0.085 0.000 2.685 104 F HA 0.916 5.443 4.527 0.001 0.000 0.315 104 F C -1.819 174.046 175.800 0.108 0.000 1.126 104 F CA -1.141 56.935 58.000 0.127 0.000 0.950 104 F CB 1.042 40.114 39.000 0.120 0.000 1.360 104 F HN 0.306 nan 8.300 nan 0.000 0.469 105 V N 1.387 121.436 119.914 0.225 0.000 2.488 105 V HA 0.244 4.364 4.120 0.001 0.000 0.293 105 V C -0.089 176.123 176.094 0.196 0.000 1.027 105 V CA -0.597 61.743 62.300 0.067 0.000 0.862 105 V CB 1.285 33.125 31.823 0.028 0.000 1.008 105 V HN 0.926 nan 8.190 nan 0.000 0.428 106 E N 2.959 123.277 120.200 0.196 0.000 2.357 106 E HA 0.037 4.387 4.350 0.001 0.000 0.194 106 E C 0.108 176.770 176.600 0.104 0.000 1.177 106 E CA 0.242 56.764 56.400 0.204 0.000 0.998 106 E CB 0.315 30.142 29.700 0.212 0.000 1.106 106 E HN 0.715 nan 8.360 nan 0.000 0.470 107 E N -0.018 120.223 120.200 0.068 0.000 2.336 107 E HA 0.229 4.579 4.350 0.001 0.000 0.267 107 E C -0.446 176.188 176.600 0.058 0.000 0.906 107 E CA -0.684 55.740 56.400 0.040 0.000 0.781 107 E CB 1.672 31.364 29.700 -0.013 0.000 1.261 107 E HN 0.035 nan 8.360 nan 0.000 0.436 108 S N 0.702 116.439 115.700 0.061 0.000 2.608 108 S HA 0.161 4.631 4.470 0.001 0.000 0.261 108 S C -1.997 172.665 174.600 0.103 0.000 1.314 108 S CA -0.946 57.304 58.200 0.083 0.000 0.992 108 S CB 0.927 64.173 63.200 0.078 0.000 0.935 108 S HN 0.238 nan 8.310 nan 0.000 0.564 109 P HA -0.011 nan 4.420 nan 0.000 0.215 109 P C 1.539 178.940 177.300 0.168 0.000 1.157 109 P CA 0.818 64.037 63.100 0.197 0.000 0.859 109 P CB 0.042 31.844 31.700 0.169 0.000 0.786 110 E N -0.204 120.065 120.200 0.114 0.000 2.033 110 E HA -0.244 4.106 4.350 0.001 0.000 0.199 110 E C 1.872 178.526 176.600 0.089 0.000 1.011 110 E CA 1.068 57.523 56.400 0.092 0.000 0.815 110 E CB -1.347 28.397 29.700 0.074 0.000 0.755 110 E HN 0.239 nan 8.360 nan 0.000 0.451 111 N N 0.992 119.736 118.700 0.074 0.000 2.322 111 N HA -0.180 4.560 4.740 0.001 0.000 0.189 111 N C 1.792 177.330 175.510 0.046 0.000 1.012 111 N CA 0.864 53.944 53.050 0.051 0.000 0.880 111 N CB -0.092 38.416 38.487 0.035 0.000 0.967 111 N HN 0.197 nan 8.380 nan 0.000 0.439 112 L N -0.020 121.255 121.223 0.086 0.000 2.189 112 L HA 0.076 4.416 4.340 0.001 0.000 0.199 112 L C 2.238 179.221 176.870 0.188 0.000 1.074 112 L CA 0.206 55.104 54.840 0.098 0.000 0.783 112 L CB -0.387 41.750 42.059 0.131 0.000 0.955 112 L HN 0.064 nan 8.230 nan 0.000 0.460 113 L N -0.039 121.325 121.223 0.236 0.000 2.556 113 L HA -0.224 4.117 4.340 0.001 0.000 0.230 113 L C 1.681 178.625 176.870 0.122 0.000 1.163 113 L CA 0.752 55.706 54.840 0.191 0.000 0.819 113 L CB -0.458 41.672 42.059 0.119 0.000 0.939 113 L HN 0.381 nan 8.230 nan 0.000 0.452 114 D N -0.422 120.038 120.400 0.099 0.000 2.628 114 D HA -0.037 4.603 4.640 0.001 0.000 0.258 114 D C 1.636 177.972 176.300 0.059 0.000 1.165 114 D CA 0.656 54.696 54.000 0.068 0.000 0.991 114 D CB -0.070 40.761 40.800 0.052 0.000 1.104 114 D HN 0.201 nan 8.370 nan 0.000 0.438 115 N N 0.994 119.720 118.700 0.043 0.000 2.512 115 N HA -0.094 4.646 4.740 0.001 0.000 0.183 115 N C -0.273 175.252 175.510 0.026 0.000 1.073 115 N CA 0.855 53.920 53.050 0.024 0.000 0.911 115 N CB 0.447 38.934 38.487 0.000 0.000 0.964 115 N HN 0.204 nan 8.380 nan 0.000 0.447 116 D N -1.594 118.839 120.400 0.056 0.000 3.443 116 D HA 0.148 4.789 4.640 0.001 0.000 0.243 116 D C -2.299 174.110 176.300 0.182 0.000 1.446 116 D CA -0.913 53.134 54.000 0.078 0.000 0.880 116 D CB 0.452 41.255 40.800 0.004 0.000 1.470 116 D HN -0.166 nan 8.370 nan 0.000 0.658 117 P HA -0.125 nan 4.420 nan 0.000 0.215 117 P C 1.363 178.890 177.300 0.378 0.000 1.153 117 P CA 1.199 64.493 63.100 0.323 0.000 0.853 117 P CB 0.093 31.914 31.700 0.201 0.000 0.788 118 S N -1.884 113.963 115.700 0.246 0.000 2.571 118 S HA -0.180 4.290 4.470 0.001 0.000 0.245 118 S C 1.595 176.332 174.600 0.229 0.000 0.976 118 S CA 0.363 58.685 58.200 0.203 0.000 0.954 118 S CB -1.621 61.655 63.200 0.127 0.000 0.756 118 S HN 0.032 nan 8.310 nan 0.000 0.535 119 F N 2.533 122.541 119.950 0.096 0.000 2.084 119 F HA 0.089 4.617 4.527 0.001 0.000 0.296 119 F C 1.442 177.223 175.800 -0.032 0.000 1.111 119 F CA 0.507 58.472 58.000 -0.057 0.000 1.224 119 F CB -0.744 38.123 39.000 -0.223 0.000 0.991 119 F HN 0.211 nan 8.300 nan 0.000 0.471 120 F N -0.380 119.643 119.950 0.121 0.000 2.529 120 F HA -0.157 4.370 4.527 0.001 0.000 0.297 120 F C 2.477 178.302 175.800 0.042 0.000 1.114 120 F CA 0.505 58.590 58.000 0.143 0.000 1.467 120 F CB -1.719 37.385 39.000 0.172 0.000 1.096 120 F HN 0.042 nan 8.300 nan 0.000 0.586 121 C N 0.500 119.857 119.300 0.095 0.000 2.456 121 C HA -0.104 4.357 4.460 0.001 0.000 0.279 121 C C 2.773 177.690 174.990 -0.122 0.000 1.427 121 C CA 0.717 59.745 59.018 0.017 0.000 1.778 121 C CB -1.322 26.428 27.740 0.017 0.000 1.842 121 C HN 0.537 nan 8.230 nan 0.000 0.531 122 R N -0.523 119.766 120.500 -0.352 0.000 2.236 122 R HA 0.043 4.383 4.340 0.001 0.000 0.208 122 R C 0.123 176.044 176.300 -0.631 0.000 1.036 122 R CA 0.714 56.485 56.100 -0.548 0.000 1.001 122 R CB -0.421 29.369 30.300 -0.849 0.000 0.896 122 R HN 0.339 nan 8.270 nan 0.000 0.464 123 F N 0.710 120.492 119.950 -0.280 0.000 2.370 123 F HA 0.240 4.768 4.527 0.001 0.000 0.324 123 F C 1.597 177.332 175.800 -0.108 0.000 1.116 123 F CA -0.530 57.319 58.000 -0.252 0.000 1.123 123 F CB 1.498 40.355 39.000 -0.238 0.000 1.238 123 F HN -0.226 nan 8.300 nan 0.000 0.536 124 T N 0.440 115.087 114.554 0.155 0.000 2.937 124 T HA 0.144 4.494 4.350 0.001 0.000 0.260 124 T C -0.013 174.725 174.700 0.063 0.000 1.051 124 T CA 0.782 62.932 62.100 0.084 0.000 1.141 124 T CB 0.110 69.026 68.868 0.080 0.000 0.879 124 T HN 0.228 nan 8.240 nan 0.000 0.459 125 V N 1.101 121.060 119.914 0.076 0.000 2.924 125 V HA 0.393 4.513 4.120 0.001 0.000 0.300 125 V C -1.216 174.866 176.094 -0.020 0.000 1.227 125 V CA -1.035 61.273 62.300 0.015 0.000 0.954 125 V CB 2.571 34.382 31.823 -0.019 0.000 1.055 125 V HN -0.060 nan 8.190 nan 0.000 0.429 126 V N 4.720 124.611 119.914 -0.038 0.000 2.398 126 V HA 0.506 4.627 4.120 0.001 0.000 0.286 126 V C -0.303 175.753 176.094 -0.063 0.000 1.026 126 V CA -0.581 61.666 62.300 -0.088 0.000 0.868 126 V CB 1.926 33.727 31.823 -0.037 0.000 0.982 126 V HN 0.600 nan 8.190 nan 0.000 0.443 127 V N 4.937 124.809 119.914 -0.069 0.000 2.311 127 V HA 0.673 4.793 4.120 0.001 0.000 0.275 127 V C 0.465 176.546 176.094 -0.021 0.000 1.022 127 V CA -0.443 61.832 62.300 -0.041 0.000 0.830 127 V CB 1.390 33.186 31.823 -0.046 0.000 1.012 127 V HN 0.952 nan 8.190 nan 0.000 0.452 128 A N 4.136 126.953 122.820 -0.004 0.000 2.292 128 A HA 0.850 5.170 4.320 0.001 0.000 0.319 128 A C 0.304 177.907 177.584 0.032 0.000 1.206 128 A CA -0.342 51.706 52.037 0.018 0.000 0.835 128 A CB 0.929 19.938 19.000 0.016 0.000 1.164 128 A HN 0.876 nan 8.150 nan 0.000 0.505 129 T N 0.337 114.914 114.554 0.039 0.000 2.861 129 T HA 0.544 4.895 4.350 0.001 0.000 0.287 129 T C -0.739 173.994 174.700 0.055 0.000 1.003 129 T CA -0.644 61.484 62.100 0.047 0.000 0.977 129 T CB 1.359 70.245 68.868 0.029 0.000 0.996 129 T HN 0.828 nan 8.240 nan 0.000 0.448 130 Q N 1.372 121.213 119.800 0.069 0.000 2.455 130 Q HA -0.121 4.219 4.340 0.001 0.000 0.343 130 Q C -0.897 175.135 176.000 0.053 0.000 1.458 130 Q CA 0.556 56.393 55.803 0.056 0.000 0.923 130 Q CB -1.964 26.795 28.738 0.034 0.000 1.149 130 Q HN 0.799 nan 8.270 nan 0.000 0.357 131 L N 0.852 122.112 121.223 0.062 0.000 2.342 131 L HA 0.631 4.972 4.340 0.001 0.000 0.271 131 L C -1.933 174.959 176.870 0.037 0.000 1.008 131 L CA -2.109 52.762 54.840 0.051 0.000 0.818 131 L CB 1.676 43.765 42.059 0.049 0.000 1.296 131 L HN 0.007 nan 8.230 nan 0.000 0.427 132 P HA 0.238 nan 4.420 nan 0.000 0.284 132 P C 0.183 177.484 177.300 0.002 0.000 1.258 132 P CA -0.615 62.472 63.100 -0.022 0.000 0.824 132 P CB 1.028 32.687 31.700 -0.069 0.000 1.038 133 E N 0.808 121.013 120.200 0.009 0.000 2.045 133 E HA -0.286 4.064 4.350 0.001 0.000 0.212 133 E C 1.972 178.577 176.600 0.007 0.000 1.039 133 E CA 2.569 58.981 56.400 0.021 0.000 0.860 133 E CB -0.638 29.110 29.700 0.079 0.000 0.776 133 E HN 0.629 nan 8.360 nan 0.000 0.467 134 S N 0.428 116.151 115.700 0.039 0.000 2.425 134 S HA -0.321 4.149 4.470 0.001 0.000 0.256 134 S C 2.123 176.731 174.600 0.013 0.000 1.101 134 S CA 2.549 60.770 58.200 0.035 0.000 1.188 134 S CB -1.316 61.919 63.200 0.058 0.000 1.085 134 S HN 0.237 nan 8.310 nan 0.000 0.439 135 T N 1.604 116.169 114.554 0.019 0.000 2.812 135 T HA 0.022 4.372 4.350 0.001 0.000 0.264 135 T C 2.211 176.900 174.700 -0.018 0.000 1.042 135 T CA 1.291 63.398 62.100 0.012 0.000 1.140 135 T CB -0.657 68.231 68.868 0.032 0.000 0.870 135 T HN 0.513 nan 8.240 nan 0.000 0.445 136 S N 1.468 117.151 115.700 -0.028 0.000 2.359 136 S HA -0.049 4.421 4.470 0.001 0.000 0.222 136 S C 2.049 176.586 174.600 -0.105 0.000 1.038 136 S CA 1.137 59.304 58.200 -0.055 0.000 1.051 136 S CB -0.629 62.537 63.200 -0.056 0.000 0.944 136 S HN 0.341 nan 8.310 nan 0.000 0.433 137 L N 0.913 122.044 121.223 -0.152 0.000 1.990 137 L HA -0.183 4.157 4.340 0.001 0.000 0.213 137 L C 2.745 179.555 176.870 -0.099 0.000 1.072 137 L CA 1.670 56.404 54.840 -0.176 0.000 0.755 137 L CB -0.509 41.449 42.059 -0.169 0.000 0.889 137 L HN 0.277 nan 8.230 nan 0.000 0.432 138 R N 0.072 120.535 120.500 -0.060 0.000 2.105 138 R HA -0.225 4.116 4.340 0.001 0.000 0.239 138 R C 2.293 178.562 176.300 -0.052 0.000 1.135 138 R CA 1.672 57.750 56.100 -0.037 0.000 0.967 138 R CB -0.191 30.103 30.300 -0.011 0.000 0.861 138 R HN 0.239 nan 8.270 nan 0.000 0.442 139 L N 0.189 121.366 121.223 -0.077 0.000 2.068 139 L HA 0.121 4.461 4.340 0.001 0.000 0.204 139 L C 2.172 178.974 176.870 -0.113 0.000 1.076 139 L CA 1.955 56.713 54.840 -0.137 0.000 0.753 139 L CB -0.593 41.369 42.059 -0.161 0.000 0.910 139 L HN 0.160 nan 8.230 nan 0.000 0.439 140 A N -0.962 121.813 122.820 -0.076 0.000 2.194 140 A HA -0.246 4.075 4.320 0.001 0.000 0.220 140 A C 1.991 179.591 177.584 0.027 0.000 1.162 140 A CA 1.875 53.897 52.037 -0.025 0.000 0.674 140 A CB -0.838 18.134 19.000 -0.047 0.000 0.789 140 A HN 0.707 nan 8.150 nan 0.000 0.470 141 D N -0.657 119.739 120.400 -0.006 0.000 2.355 141 D HA -0.062 4.578 4.640 0.001 0.000 0.233 141 D C 1.939 178.294 176.300 0.092 0.000 0.997 141 D CA 1.341 55.358 54.000 0.029 0.000 0.920 141 D CB 0.088 40.875 40.800 -0.021 0.000 1.063 141 D HN 0.146 nan 8.370 nan 0.000 0.465 142 V N 1.945 121.875 119.914 0.026 0.000 2.278 142 V HA -0.274 3.847 4.120 0.001 0.000 0.251 142 V C 2.840 178.958 176.094 0.040 0.000 1.062 142 V CA 1.413 63.731 62.300 0.030 0.000 1.038 142 V CB -0.650 31.160 31.823 -0.021 0.000 0.646 142 V HN 0.287 nan 8.190 nan 0.000 0.447 143 L N -1.195 120.019 121.223 -0.015 0.000 2.093 143 L HA -0.193 4.147 4.340 0.001 0.000 0.208 143 L C 2.435 179.357 176.870 0.087 0.000 1.085 143 L CA 1.900 56.738 54.840 -0.004 0.000 0.755 143 L CB -0.559 41.455 42.059 -0.075 0.000 0.904 143 L HN 0.597 nan 8.230 nan 0.000 0.435 144 W N 1.580 122.855 121.300 -0.041 0.000 2.333 144 W HA -0.230 4.431 4.660 0.001 0.000 0.316 144 W C 2.244 178.762 176.519 -0.001 0.000 1.215 144 W CA 1.680 59.014 57.345 -0.017 0.000 1.278 144 W CB -0.425 29.026 29.460 -0.015 0.000 1.154 144 W HN 0.260 nan 8.180 nan 0.000 0.486 145 N N 0.383 119.252 118.700 0.282 0.000 2.120 145 N HA -0.145 4.596 4.740 0.001 0.000 0.188 145 N C 1.728 177.260 175.510 0.038 0.000 1.024 145 N CA 2.054 55.203 53.050 0.164 0.000 0.852 145 N CB -0.820 37.768 38.487 0.168 0.000 1.003 145 N HN 0.006 nan 8.380 nan 0.000 0.424 146 S N 0.880 116.607 115.700 0.044 0.000 2.603 146 S HA -0.010 4.460 4.470 0.001 0.000 0.229 146 S C 0.304 174.892 174.600 -0.021 0.000 0.972 146 S CA 0.224 58.440 58.200 0.028 0.000 0.935 146 S CB 0.054 63.294 63.200 0.067 0.000 0.769 146 S HN 0.241 nan 8.310 nan 0.000 0.536 147 Q N -0.360 119.386 119.800 -0.090 0.000 2.506 147 Q HA -0.145 4.195 4.340 0.001 0.000 0.268 147 Q C -0.644 175.297 176.000 -0.097 0.000 1.002 147 Q CA 0.648 56.361 55.803 -0.149 0.000 1.052 147 Q CB -1.901 26.773 28.738 -0.108 0.000 1.383 147 Q HN 0.413 nan 8.270 nan 0.000 0.537 148 I N 1.272 121.808 120.570 -0.056 0.000 2.385 148 I HA 0.332 4.502 4.170 0.001 0.000 0.294 148 I C -1.905 174.192 176.117 -0.034 0.000 0.988 148 I CA -2.371 58.919 61.300 -0.016 0.000 1.265 148 I CB 0.945 38.970 38.000 0.041 0.000 1.388 148 I HN -0.216 nan 8.210 nan 0.000 0.480 149 P HA 0.270 nan 4.420 nan 0.000 0.276 149 P C -0.737 176.541 177.300 -0.037 0.000 1.243 149 P CA -0.295 62.772 63.100 -0.054 0.000 0.768 149 P CB 0.816 32.471 31.700 -0.076 0.000 0.856 150 L N 5.151 126.359 121.223 -0.025 0.000 2.334 150 L HA 0.674 5.015 4.340 0.001 0.000 0.276 150 L C -1.402 175.454 176.870 -0.023 0.000 1.014 150 L CA -0.762 54.066 54.840 -0.021 0.000 0.815 150 L CB 1.687 43.745 42.059 -0.002 0.000 1.268 150 L HN 0.131 nan 8.230 nan 0.000 0.428 151 L N 6.168 127.378 121.223 -0.021 0.000 2.427 151 L HA 0.556 4.896 4.340 0.001 0.000 0.264 151 L C -1.209 175.666 176.870 0.008 0.000 0.989 151 L CA -0.059 54.777 54.840 -0.005 0.000 0.865 151 L CB 1.004 43.054 42.059 -0.014 0.000 1.209 151 L HN 0.515 nan 8.230 nan 0.000 0.430 152 I N 4.494 125.076 120.570 0.020 0.000 2.301 152 I HA 0.297 4.467 4.170 0.001 0.000 0.292 152 I C -0.376 175.744 176.117 0.005 0.000 1.046 152 I CA -0.215 61.104 61.300 0.033 0.000 1.282 152 I CB 0.636 38.682 38.000 0.077 0.000 1.409 152 I HN 0.533 nan 8.210 nan 0.000 0.484 153 C N 5.972 125.294 119.300 0.037 0.000 2.454 153 C HA 0.726 5.186 4.460 0.001 0.000 0.336 153 C C 0.273 175.337 174.990 0.124 0.000 1.189 153 C CA -0.683 58.362 59.018 0.044 0.000 1.877 153 C CB 1.742 29.501 27.740 0.032 0.000 2.348 153 C HN 0.769 nan 8.230 nan 0.000 0.508 154 R N 0.663 121.275 120.500 0.186 0.000 2.536 154 R HA 0.474 4.814 4.340 0.001 0.000 0.269 154 R C -1.620 174.805 176.300 0.209 0.000 1.113 154 R CA -0.045 56.190 56.100 0.225 0.000 0.948 154 R CB 1.707 32.219 30.300 0.354 0.000 1.237 154 R HN 0.824 nan 8.270 nan 0.000 0.441 155 T N 3.706 118.341 114.554 0.135 0.000 2.770 155 T HA 0.374 4.724 4.350 0.001 0.000 0.283 155 T C -1.684 173.064 174.700 0.079 0.000 0.988 155 T CA -0.242 61.912 62.100 0.090 0.000 0.957 155 T CB 0.622 69.503 68.868 0.022 0.000 0.930 155 T HN 0.395 nan 8.240 nan 0.000 0.443 156 Y N 2.299 122.530 120.300 -0.115 0.000 2.331 156 Y HA 0.483 5.033 4.550 0.001 0.000 0.326 156 Y C 0.804 176.445 175.900 -0.432 0.000 1.020 156 Y CA 0.393 58.375 58.100 -0.196 0.000 1.136 156 Y CB 0.946 39.348 38.460 -0.097 0.000 1.157 156 Y HN 0.921 nan 8.280 nan 0.000 0.444 157 G N 3.831 112.175 108.800 -0.760 0.000 2.660 157 G HA2 -0.344 3.616 3.960 0.001 0.000 0.321 157 G HA3 -0.344 3.616 3.960 0.001 0.000 0.321 157 G C 0.357 174.678 174.900 -0.964 0.000 1.246 157 G CA 0.756 45.103 45.100 -1.255 0.000 1.000 157 G HN 0.739 nan 8.290 nan 0.000 0.550 158 L N 0.631 121.118 121.223 -1.226 0.000 2.791 158 L HA 0.391 4.732 4.340 0.001 0.000 0.239 158 L C 0.116 176.730 176.870 -0.427 0.000 1.203 158 L CA -0.262 54.218 54.840 -0.599 0.000 1.002 158 L CB 0.597 42.387 42.059 -0.448 0.000 1.295 158 L HN 0.209 nan 8.230 nan 0.000 0.504 159 V N 0.083 119.798 119.914 -0.332 0.000 2.398 159 V HA 0.524 4.645 4.120 0.001 0.000 0.286 159 V C 0.543 176.661 176.094 0.039 0.000 1.026 159 V CA -0.571 61.666 62.300 -0.105 0.000 0.868 159 V CB 1.552 33.416 31.823 0.068 0.000 0.982 159 V HN 0.249 nan 8.190 nan 0.000 0.443 160 G N 3.522 112.399 108.800 0.128 0.000 2.415 160 G HA2 0.488 4.449 3.960 0.001 0.000 0.317 160 G HA3 0.488 4.449 3.960 0.001 0.000 0.317 160 G C -1.293 173.794 174.900 0.312 0.000 1.152 160 G CA -0.275 44.995 45.100 0.283 0.000 0.956 160 G HN 0.585 nan 8.290 nan 0.000 0.458 161 Y N 3.029 123.433 120.300 0.173 0.000 2.387 161 Y HA 0.745 5.296 4.550 0.001 0.000 0.336 161 Y C -0.271 175.749 175.900 0.199 0.000 1.067 161 Y CA -1.786 56.423 58.100 0.182 0.000 1.114 161 Y CB 2.055 40.612 38.460 0.162 0.000 1.208 161 Y HN 0.457 nan 8.280 nan 0.000 0.458 162 M N 8.018 127.328 119.600 -0.483 0.000 2.331 162 M HA 0.345 4.825 4.480 0.001 0.000 0.228 162 M C -2.122 174.031 176.300 -0.245 0.000 0.986 162 M CA -0.342 54.760 55.300 -0.330 0.000 0.972 162 M CB 0.925 33.503 32.600 -0.037 0.000 2.359 162 M HN 0.839 nan 8.290 nan 0.000 0.459 163 R N 4.422 124.761 120.500 -0.268 0.000 2.445 163 R HA 0.681 5.022 4.340 0.001 0.000 0.308 163 R C -1.642 174.740 176.300 0.137 0.000 0.961 163 R CA -0.515 55.620 56.100 0.060 0.000 0.862 163 R CB 1.815 32.144 30.300 0.049 0.000 1.144 163 R HN 0.888 nan 8.270 nan 0.000 0.447 164 I N 5.217 125.860 120.570 0.123 0.000 2.437 164 I HA 0.387 4.558 4.170 0.001 0.000 0.298 164 I C -0.908 175.183 176.117 -0.044 0.000 0.984 164 I CA -0.837 60.411 61.300 -0.087 0.000 1.214 164 I CB 1.214 38.909 38.000 -0.508 0.000 1.365 164 I HN 0.657 nan 8.210 nan 0.000 0.469 165 I N 8.757 129.318 120.570 -0.016 0.000 2.563 165 I HA 0.367 4.537 4.170 0.001 0.000 0.276 165 I C -0.983 175.171 176.117 0.060 0.000 1.074 165 I CA -0.146 61.206 61.300 0.086 0.000 1.124 165 I CB 0.871 38.966 38.000 0.158 0.000 1.225 165 I HN 0.382 nan 8.210 nan 0.000 0.482 166 I N 5.203 125.779 120.570 0.011 0.000 2.439 166 I HA 0.242 4.412 4.170 0.001 0.000 0.285 166 I C 1.141 177.215 176.117 -0.071 0.000 1.021 166 I CA -0.626 60.631 61.300 -0.073 0.000 1.091 166 I CB 2.268 40.195 38.000 -0.122 0.000 1.242 166 I HN 0.484 nan 8.210 nan 0.000 0.439 167 K N 4.203 124.429 120.400 -0.290 0.000 2.032 167 K HA -0.161 4.159 4.320 0.001 0.000 0.218 167 K C 0.525 177.087 176.600 -0.064 0.000 1.054 167 K CA 1.850 57.939 56.287 -0.330 0.000 0.941 167 K CB 0.254 32.370 32.500 -0.640 0.000 0.720 167 K HN 0.667 nan 8.250 nan 0.000 0.449 168 E N -0.828 119.339 120.200 -0.055 0.000 2.304 168 E HA 0.105 4.455 4.350 0.001 0.000 0.277 168 E C -1.923 174.695 176.600 0.029 0.000 0.898 168 E CA -0.622 55.793 56.400 0.024 0.000 0.764 168 E CB 1.280 31.023 29.700 0.073 0.000 1.216 168 E HN 0.288 nan 8.360 nan 0.000 0.419 169 H N 4.960 123.960 119.070 -0.117 0.000 3.036 169 H HA 0.398 4.954 4.556 0.001 0.000 0.295 169 H C -2.686 172.477 175.328 -0.275 0.000 1.124 169 H CA -1.769 54.175 56.048 -0.173 0.000 1.507 169 H CB 1.272 30.948 29.762 -0.143 0.000 1.591 169 H HN 0.224 nan 8.280 nan 0.000 0.510 170 P HA 0.276 nan 4.420 nan 0.000 0.292 170 P C -1.036 175.704 177.300 -0.934 0.000 1.283 170 P CA -0.673 61.798 63.100 -1.050 0.000 0.835 170 P CB 2.490 33.113 31.700 -1.795 0.000 1.017 171 V N 3.541 123.044 119.914 -0.685 0.000 2.686 171 V HA 0.337 4.457 4.120 0.001 0.000 0.306 171 V C 0.452 176.434 176.094 -0.187 0.000 1.065 171 V CA -0.599 61.465 62.300 -0.392 0.000 0.894 171 V CB 1.582 33.248 31.823 -0.261 0.000 1.004 171 V HN 0.451 nan 8.190 nan 0.000 0.424 172 I N 2.692 123.203 120.570 -0.098 0.000 2.522 172 I HA 0.237 4.408 4.170 0.001 0.000 0.240 172 I C 1.331 177.399 176.117 -0.083 0.000 1.078 172 I CA 0.330 61.616 61.300 -0.023 0.000 1.422 172 I CB 0.216 38.211 38.000 -0.008 0.000 1.188 172 I HN 0.770 nan 8.210 nan 0.000 0.442 173 E N 1.448 121.559 120.200 -0.148 0.000 2.081 173 E HA -0.027 4.323 4.350 0.001 0.000 0.270 173 E C 0.819 177.195 176.600 -0.373 0.000 1.180 173 E CA -0.089 56.134 56.400 -0.294 0.000 0.926 173 E CB 0.637 30.136 29.700 -0.335 0.000 1.035 173 E HN 0.127 nan 8.360 nan 0.000 0.418 174 S N 3.718 119.249 115.700 -0.282 0.000 2.456 174 S HA -0.059 4.412 4.470 0.001 0.000 0.224 174 S C -0.029 174.434 174.600 -0.228 0.000 1.035 174 S CA 0.097 58.178 58.200 -0.197 0.000 0.940 174 S CB 0.046 63.217 63.200 -0.049 0.000 0.799 174 S HN 0.778 nan 8.310 nan 0.000 0.508 175 H N 1.515 120.439 119.070 -0.244 0.000 3.006 175 H HA -0.066 4.491 4.556 0.001 0.000 0.340 175 H C -2.802 172.429 175.328 -0.161 0.000 1.118 175 H CA 0.934 56.842 56.048 -0.233 0.000 1.110 175 H CB -1.744 27.787 29.762 -0.385 0.000 1.608 175 H HN 0.449 nan 8.280 nan 0.000 0.395 176 P HA 0.243 nan 4.420 nan 0.000 0.301 176 P C -0.410 176.813 177.300 -0.129 0.000 1.337 176 P CA -0.665 62.320 63.100 -0.192 0.000 0.889 176 P CB 1.478 32.918 31.700 -0.434 0.000 1.050 177 D N 3.130 123.501 120.400 -0.050 0.000 2.383 177 D HA 0.122 4.762 4.640 0.001 0.000 0.245 177 D C -0.081 176.195 176.300 -0.041 0.000 1.263 177 D CA 0.813 54.797 54.000 -0.027 0.000 0.936 177 D CB -0.597 40.203 40.800 -0.000 0.000 1.053 177 D HN 0.259 nan 8.370 nan 0.000 0.507 178 N N 1.121 119.793 118.700 -0.047 0.000 3.925 178 N HA -0.059 4.681 4.740 0.001 0.000 0.278 178 N C -1.165 174.319 175.510 -0.044 0.000 2.104 178 N CA 0.574 53.607 53.050 -0.029 0.000 2.544 178 N CB -0.929 37.554 38.487 -0.007 0.000 0.490 178 N HN 0.460 nan 8.380 nan 0.000 0.551 179 A N 1.938 124.744 122.820 -0.022 0.000 2.566 179 A HA 0.815 5.135 4.320 0.001 0.000 0.292 179 A C -0.435 177.203 177.584 0.091 0.000 1.112 179 A CA -0.783 51.268 52.037 0.024 0.000 0.707 179 A CB 1.270 20.253 19.000 -0.027 0.000 1.302 179 A HN 0.393 nan 8.150 nan 0.000 0.409 180 L N 1.889 123.187 121.223 0.126 0.000 2.331 180 L HA 0.271 4.611 4.340 0.001 0.000 0.278 180 L C 0.229 177.180 176.870 0.136 0.000 1.106 180 L CA -0.700 54.210 54.840 0.117 0.000 0.824 180 L CB 0.656 42.777 42.059 0.103 0.000 1.142 180 L HN 0.640 nan 8.230 nan 0.000 0.443 181 E N 1.918 122.191 120.200 0.122 0.000 2.436 181 E HA -0.073 4.277 4.350 0.001 0.000 0.262 181 E C -0.387 176.274 176.600 0.102 0.000 1.063 181 E CA 0.154 56.617 56.400 0.106 0.000 0.944 181 E CB 0.622 30.376 29.700 0.090 0.000 0.950 181 E HN 0.378 nan 8.360 nan 0.000 0.444 182 D N 2.523 122.975 120.400 0.088 0.000 2.781 182 D HA 0.123 4.763 4.640 0.001 0.000 0.254 182 D C 0.808 177.218 176.300 0.183 0.000 1.213 182 D CA -0.106 53.962 54.000 0.114 0.000 0.994 182 D CB -0.247 40.605 40.800 0.086 0.000 1.019 182 D HN 0.297 nan 8.370 nan 0.000 0.514 183 L N 1.368 122.695 121.223 0.173 0.000 2.179 183 L HA 0.025 4.365 4.340 0.001 0.000 0.208 183 L C 1.036 178.113 176.870 0.346 0.000 1.096 183 L CA 0.115 55.114 54.840 0.265 0.000 0.779 183 L CB -0.383 41.770 42.059 0.157 0.000 0.922 183 L HN 0.339 nan 8.230 nan 0.000 0.443 184 R N 0.225 120.855 120.500 0.218 0.000 2.939 184 R HA -0.206 4.134 4.340 0.001 0.000 0.255 184 R C 0.048 176.420 176.300 0.121 0.000 0.882 184 R CA 0.298 56.497 56.100 0.165 0.000 0.658 184 R CB -2.147 28.272 30.300 0.198 0.000 1.447 184 R HN 0.385 nan 8.270 nan 0.000 0.506 185 L N 0.724 122.004 121.223 0.095 0.000 2.354 185 L HA -0.043 4.297 4.340 0.001 0.000 0.212 185 L C 2.248 179.115 176.870 -0.005 0.000 1.091 185 L CA 1.041 55.913 54.840 0.054 0.000 0.828 185 L CB -0.234 41.840 42.059 0.027 0.000 0.973 185 L HN 0.660 nan 8.230 nan 0.000 0.461 186 D N 0.809 121.210 120.400 0.001 0.000 2.097 186 D HA -0.214 4.426 4.640 0.001 0.000 0.197 186 D C 0.813 177.106 176.300 -0.013 0.000 0.984 186 D CA 1.236 55.224 54.000 -0.020 0.000 0.826 186 D CB -0.058 40.740 40.800 -0.003 0.000 0.973 186 D HN 0.188 nan 8.370 nan 0.000 0.460 187 K N 1.713 122.125 120.400 0.020 0.000 3.122 187 K HA 0.280 4.600 4.320 0.001 0.000 0.193 187 K C -2.404 174.223 176.600 0.045 0.000 1.141 187 K CA -1.513 54.790 56.287 0.027 0.000 0.975 187 K CB 1.772 34.300 32.500 0.047 0.000 1.173 187 K HN 0.226 nan 8.250 nan 0.000 0.546 188 P HA -0.102 nan 4.420 nan 0.000 0.267 188 P C -0.443 176.823 177.300 -0.057 0.000 1.201 188 P CA 0.105 63.149 63.100 -0.093 0.000 0.775 188 P CB 0.342 31.984 31.700 -0.096 0.000 0.854 189 F N -0.683 119.214 119.950 -0.088 0.000 2.440 189 F HA 0.589 5.117 4.527 0.001 0.000 0.328 189 F C -1.796 173.937 175.800 -0.111 0.000 1.070 189 F CA -3.184 54.760 58.000 -0.093 0.000 1.011 189 F CB -0.983 37.953 39.000 -0.108 0.000 1.226 189 F HN 0.110 nan 8.300 nan 0.000 0.491 190 P HA -0.245 nan 4.420 nan 0.000 0.207 190 P C 1.122 178.409 177.300 -0.023 0.000 1.115 190 P CA 2.510 65.631 63.100 0.036 0.000 0.956 190 P CB 0.074 31.814 31.700 0.066 0.000 0.774 191 E N -0.924 119.330 120.200 0.090 0.000 2.113 191 E HA -0.247 4.103 4.350 0.001 0.000 0.210 191 E C 1.903 178.383 176.600 -0.201 0.000 1.040 191 E CA 1.430 57.846 56.400 0.026 0.000 0.847 191 E CB -1.402 28.382 29.700 0.139 0.000 0.755 191 E HN 0.122 nan 8.360 nan 0.000 0.459 192 L N 0.859 121.733 121.223 -0.581 0.000 1.970 192 L HA -0.204 4.137 4.340 0.001 0.000 0.212 192 L C 2.390 178.716 176.870 -0.907 0.000 1.071 192 L CA 2.100 56.273 54.840 -1.111 0.000 0.751 192 L CB -0.462 40.397 42.059 -2.000 0.000 0.889 192 L HN 0.038 nan 8.230 nan 0.000 0.432 193 R N -0.362 119.803 120.500 -0.559 0.000 2.094 193 R HA -0.232 4.108 4.340 0.001 0.000 0.239 193 R C 2.210 178.440 176.300 -0.117 0.000 1.137 193 R CA 2.261 58.240 56.100 -0.201 0.000 0.943 193 R CB -0.435 29.807 30.300 -0.096 0.000 0.850 193 R HN 0.568 nan 8.270 nan 0.000 0.433 194 E N -1.106 119.031 120.200 -0.106 0.000 2.160 194 E HA -0.266 4.085 4.350 0.001 0.000 0.195 194 E C 1.907 178.504 176.600 -0.005 0.000 0.991 194 E CA 1.550 57.934 56.400 -0.027 0.000 0.810 194 E CB -0.209 29.485 29.700 -0.010 0.000 0.742 194 E HN 0.496 nan 8.360 nan 0.000 0.466 195 H N 0.107 119.050 119.070 -0.212 0.000 2.293 195 H HA -0.121 4.436 4.556 0.001 0.000 0.300 195 H C 1.714 177.031 175.328 -0.017 0.000 1.082 195 H CA 1.862 57.808 56.048 -0.170 0.000 1.308 195 H CB -0.456 29.074 29.762 -0.386 0.000 1.375 195 H HN 0.123 nan 8.280 nan 0.000 0.495 196 F N 0.723 120.610 119.950 -0.104 0.000 2.091 196 F HA -0.285 4.242 4.527 0.001 0.000 0.299 196 F C 2.784 178.547 175.800 -0.062 0.000 1.103 196 F CA 1.172 59.057 58.000 -0.190 0.000 1.228 196 F CB -0.321 38.596 39.000 -0.139 0.000 0.984 196 F HN 0.287 nan 8.300 nan 0.000 0.477 197 Q N -0.385 119.518 119.800 0.171 0.000 2.197 197 Q HA -0.231 4.109 4.340 0.001 0.000 0.207 197 Q C 2.232 178.312 176.000 0.133 0.000 0.984 197 Q CA 1.579 57.459 55.803 0.128 0.000 0.869 197 Q CB -0.397 28.391 28.738 0.084 0.000 0.906 197 Q HN 0.252 nan 8.270 nan 0.000 0.426 198 S N -0.716 115.065 115.700 0.136 0.000 2.500 198 S HA -0.082 4.389 4.470 0.001 0.000 0.239 198 S C 0.084 174.780 174.600 0.161 0.000 0.989 198 S CA 0.369 58.642 58.200 0.121 0.000 0.951 198 S CB 0.050 63.293 63.200 0.072 0.000 0.759 198 S HN 0.205 nan 8.310 nan 0.000 0.523 209 H N 0.051 119.103 119.070 -0.031 0.000 3.067 209 H HA 0.153 4.709 4.556 0.001 0.000 0.241 209 H C 1.880 177.294 175.328 0.143 0.000 0.961 209 H CA 1.518 57.604 56.048 0.064 0.000 1.123 209 H CB 0.720 30.474 29.762 -0.014 0.000 1.448 209 H HN 0.208 nan 8.280 nan 0.000 0.457 210 S N -0.881 114.891 115.700 0.121 0.000 2.436 210 S HA -0.105 4.365 4.470 0.001 0.000 0.228 210 S C 0.973 175.739 174.600 0.277 0.000 1.014 210 S CA 0.591 58.889 58.200 0.164 0.000 0.950 210 S CB -0.605 62.684 63.200 0.150 0.000 0.784 210 S HN 0.588 nan 8.310 nan 0.000 0.504 211 H N 1.839 120.975 119.070 0.109 0.000 3.109 211 H HA 0.211 4.767 4.556 0.001 0.000 0.298 211 H C -0.519 174.897 175.328 0.146 0.000 1.248 211 H CA -0.141 55.977 56.048 0.116 0.000 1.204 211 H CB -0.364 29.459 29.762 0.101 0.000 1.367 211 H HN 0.313 nan 8.280 nan 0.000 0.592 212 T N 1.744 116.451 114.554 0.255 0.000 2.840 212 T HA 0.180 4.530 4.350 0.001 0.000 0.287 212 T C -2.486 172.327 174.700 0.189 0.000 0.991 212 T CA -1.599 60.646 62.100 0.240 0.000 0.964 212 T CB 1.974 70.962 68.868 0.200 0.000 0.954 212 T HN 0.060 nan 8.240 nan 0.000 0.438 213 P HA -0.073 nan 4.420 nan 0.000 0.263 213 P C 0.419 177.767 177.300 0.079 0.000 1.168 213 P CA -0.015 63.150 63.100 0.109 0.000 0.759 213 P CB 0.377 32.107 31.700 0.050 0.000 0.782 214 W N 5.942 127.249 121.300 0.011 0.000 2.374 214 W HA -0.139 4.521 4.660 0.001 0.000 0.288 214 W C 1.327 177.780 176.519 -0.111 0.000 1.218 214 W CA 0.938 58.237 57.345 -0.077 0.000 1.245 214 W CB -1.650 27.779 29.460 -0.051 0.000 1.126 214 W HN 0.215 nan 8.180 nan 0.000 0.545 215 I N 0.896 121.313 120.570 -0.255 0.000 2.076 215 I HA -0.352 3.818 4.170 0.001 0.000 0.237 215 I C 2.521 178.546 176.117 -0.154 0.000 1.059 215 I CA 2.129 63.343 61.300 -0.144 0.000 1.317 215 I CB -1.276 36.621 38.000 -0.171 0.000 1.037 215 I HN -0.114 nan 8.210 nan 0.000 0.398 216 V N 1.436 121.247 119.914 -0.173 0.000 2.277 216 V HA -0.343 3.777 4.120 0.001 0.000 0.253 216 V C 2.433 178.350 176.094 -0.295 0.000 1.067 216 V CA 1.864 63.959 62.300 -0.342 0.000 1.047 216 V CB -0.726 30.828 31.823 -0.450 0.000 0.649 216 V HN 0.321 nan 8.190 nan 0.000 0.447 217 I N -0.492 119.953 120.570 -0.209 0.000 2.151 217 I HA -0.270 3.901 4.170 0.001 0.000 0.243 217 I C 2.352 178.305 176.117 -0.274 0.000 1.080 217 I CA 2.117 63.225 61.300 -0.319 0.000 1.339 217 I CB -0.952 36.741 38.000 -0.512 0.000 1.039 217 I HN 0.301 nan 8.210 nan 0.000 0.409 218 I N 0.469 120.953 120.570 -0.144 0.000 2.500 218 I HA -0.168 4.003 4.170 0.001 0.000 0.252 218 I C 2.668 178.791 176.117 0.011 0.000 1.142 218 I CA 0.900 62.202 61.300 0.004 0.000 1.451 218 I CB -0.309 37.767 38.000 0.126 0.000 1.093 218 I HN 0.102 nan 8.210 nan 0.000 0.430 219 A N 0.644 123.312 122.820 -0.253 0.000 1.933 219 A HA -0.226 4.095 4.320 0.001 0.000 0.218 219 A C 2.239 179.658 177.584 -0.274 0.000 1.175 219 A CA 1.656 53.385 52.037 -0.515 0.000 0.628 219 A CB -0.308 17.773 19.000 -1.531 0.000 0.814 219 A HN 0.159 nan 8.150 nan 0.000 0.444 220 K N -0.971 119.341 120.400 -0.147 0.000 1.984 220 K HA -0.056 4.264 4.320 0.001 0.000 0.209 220 K C 1.560 178.262 176.600 0.171 0.000 1.046 220 K CA 1.460 57.768 56.287 0.036 0.000 0.934 220 K CB -0.652 31.927 32.500 0.132 0.000 0.717 220 K HN 0.469 nan 8.250 nan 0.000 0.438 221 Y N 0.208 120.507 120.300 -0.002 0.000 2.651 221 Y HA -0.054 4.496 4.550 0.000 0.000 0.296 221 Y C 1.744 177.862 175.900 0.365 0.000 1.150 221 Y CA 0.444 58.580 58.100 0.060 0.000 1.348 221 Y CB -0.252 38.087 38.460 -0.201 0.000 0.983 221 Y HN 0.064 nan 8.280 nan 0.000 0.555 222 L N -0.543 120.968 121.223 0.479 0.000 2.145 222 L HA 0.148 4.488 4.340 0.001 0.000 0.201 222 L C 2.376 179.406 176.870 0.268 0.000 1.075 222 L CA 1.594 56.655 54.840 0.369 0.000 0.773 222 L CB -0.890 41.211 42.059 0.070 0.000 0.936 222 L HN -0.003 nan 8.230 nan 0.000 0.451 223 A N -0.664 122.247 122.820 0.151 0.000 1.940 223 A HA -0.299 4.021 4.320 0.001 0.000 0.219 223 A C 2.304 180.022 177.584 0.223 0.000 1.176 223 A CA 2.077 54.197 52.037 0.138 0.000 0.631 223 A CB -0.744 18.295 19.000 0.065 0.000 0.814 223 A HN 0.685 nan 8.150 nan 0.000 0.446 224 Q N -1.390 118.527 119.800 0.195 0.000 2.016 224 Q HA -0.189 4.152 4.340 0.001 0.000 0.200 224 Q C 2.017 178.167 176.000 0.250 0.000 0.978 224 Q CA 1.505 57.398 55.803 0.150 0.000 0.833 224 Q CB -0.368 28.383 28.738 0.021 0.000 0.895 224 Q HN 0.865 nan 8.270 nan 0.000 0.427 225 W N 0.618 122.020 121.300 0.170 0.000 2.424 225 W HA -0.252 4.408 4.660 0.000 0.000 0.264 225 W C 1.223 177.843 176.519 0.168 0.000 1.229 225 W CA 1.140 58.596 57.345 0.185 0.000 1.208 225 W CB -0.324 29.310 29.460 0.289 0.000 1.127 225 W HN 0.351 nan 8.180 nan 0.000 0.588 226 Y N 1.326 121.788 120.300 0.270 0.000 2.220 226 Y HA -0.157 4.394 4.550 0.001 0.000 0.291 226 Y C 2.804 178.722 175.900 0.031 0.000 1.129 226 Y CA 2.316 60.508 58.100 0.155 0.000 1.161 226 Y CB -0.728 37.808 38.460 0.126 0.000 0.997 226 Y HN -0.218 nan 8.280 nan 0.000 0.522 227 S N 0.149 115.872 115.700 0.038 0.000 2.338 227 S HA -0.165 4.305 4.470 0.001 0.000 0.218 227 S C 1.470 175.984 174.600 -0.143 0.000 1.032 227 S CA 1.416 59.567 58.200 -0.082 0.000 0.999 227 S CB -0.345 62.850 63.200 -0.009 0.000 0.905 227 S HN 0.512 nan 8.310 nan 0.000 0.439 228 E N 0.505 120.624 120.200 -0.135 0.000 2.527 228 E HA -0.018 4.333 4.350 0.001 0.000 0.204 228 E C 0.643 177.060 176.600 -0.306 0.000 1.132 228 E CA 0.687 56.970 56.400 -0.196 0.000 0.905 228 E CB -0.059 29.527 29.700 -0.190 0.000 0.875 228 E HN 0.408 nan 8.360 nan 0.000 0.548 229 T N -1.443 112.921 114.554 -0.316 0.000 3.853 229 T HA 0.013 4.364 4.350 0.001 0.000 0.296 229 T C 0.338 174.888 174.700 -0.250 0.000 0.928 229 T CA -0.162 61.739 62.100 -0.331 0.000 1.190 229 T CB 0.486 69.024 68.868 -0.549 0.000 1.066 229 T HN -0.012 nan 8.240 nan 0.000 0.458 230 N N 0.446 118.971 118.700 -0.291 0.000 2.993 230 N HA -0.103 4.637 4.740 0.001 0.000 0.207 230 N C 0.652 176.139 175.510 -0.039 0.000 0.916 230 N CA 0.804 53.614 53.050 -0.400 0.000 1.033 230 N CB -1.409 36.913 38.487 -0.275 0.000 1.028 230 N HN 0.590 nan 8.380 nan 0.000 0.565 231 G N 0.181 109.024 108.800 0.072 0.000 2.590 231 G HA2 0.286 4.247 3.960 0.001 0.000 0.276 231 G HA3 0.286 4.247 3.960 0.001 0.000 0.276 231 G C 0.787 175.965 174.900 0.463 0.000 1.337 231 G CA 0.684 45.959 45.100 0.290 0.000 1.030 231 G HN 0.326 nan 8.290 nan 0.000 0.534 232 R N -2.017 118.718 120.500 0.392 0.000 2.591 232 R HA 0.232 4.572 4.340 0.001 0.000 0.288 232 R C 0.747 177.005 176.300 -0.070 0.000 0.947 232 R CA 0.044 56.245 56.100 0.169 0.000 1.085 232 R CB 0.286 30.652 30.300 0.110 0.000 1.618 232 R HN 0.543 nan 8.270 nan 0.000 0.524 233 I N 0.625 121.185 120.570 -0.017 0.000 5.620 233 I HA -0.218 3.952 4.170 0.001 0.000 0.127 233 I C -1.735 174.294 176.117 -0.147 0.000 1.815 233 I CA 0.208 61.335 61.300 -0.288 0.000 2.038 233 I CB -0.977 36.496 38.000 -0.877 0.000 3.367 233 I HN 0.196 nan 8.210 nan 0.000 0.169 234 P HA -0.090 nan 4.420 nan 0.000 0.229 234 P C 0.673 177.986 177.300 0.022 0.000 1.160 234 P CA 1.080 64.174 63.100 -0.010 0.000 0.777 234 P CB 0.230 31.942 31.700 0.019 0.000 0.814 235 K N 0.291 120.721 120.400 0.050 0.000 2.230 235 K HA 0.243 4.563 4.320 0.001 0.000 0.253 235 K C 0.001 176.645 176.600 0.073 0.000 1.008 235 K CA 0.584 56.913 56.287 0.071 0.000 0.910 235 K CB 0.062 32.623 32.500 0.102 0.000 0.994 235 K HN -0.063 nan 8.250 nan 0.000 0.495 236 T N 1.920 116.541 114.554 0.113 0.000 3.103 236 T HA 0.317 4.668 4.350 0.001 0.000 0.352 236 T C -0.826 174.080 174.700 0.342 0.000 1.048 236 T CA -0.467 61.727 62.100 0.156 0.000 1.175 236 T CB 0.025 68.974 68.868 0.135 0.000 1.029 236 T HN 0.820 nan 8.240 nan 0.000 0.498 237 Y N 1.047 121.356 120.300 0.016 0.000 2.768 237 Y HA -0.092 4.458 4.550 0.001 0.000 0.354 237 Y C 1.397 177.320 175.900 0.037 0.000 1.033 237 Y CA 0.239 58.353 58.100 0.023 0.000 1.166 237 Y CB -0.164 38.312 38.460 0.025 0.000 1.280 237 Y HN 0.258 nan 8.280 nan 0.000 0.519 238 K N 0.675 121.242 120.400 0.278 0.000 2.202 238 K HA 0.095 4.415 4.320 0.001 0.000 0.201 238 K C 1.139 177.847 176.600 0.181 0.000 1.051 238 K CA 1.281 57.688 56.287 0.201 0.000 0.977 238 K CB 0.238 32.840 32.500 0.170 0.000 0.792 238 K HN 0.400 nan 8.250 nan 0.000 0.469 239 E N 1.382 121.679 120.200 0.162 0.000 2.038 239 E HA -0.030 4.321 4.350 0.001 0.000 0.190 239 E C 1.854 178.461 176.600 0.012 0.000 0.967 239 E CA 0.502 56.987 56.400 0.141 0.000 0.816 239 E CB 0.203 29.972 29.700 0.114 0.000 0.784 239 E HN 0.104 nan 8.360 nan 0.000 0.456 240 K N 0.959 121.337 120.400 -0.037 0.000 2.077 240 K HA -0.290 4.030 4.320 0.001 0.000 0.213 240 K C 2.187 178.804 176.600 0.029 0.000 1.051 240 K CA 1.835 58.090 56.287 -0.054 0.000 0.929 240 K CB -0.198 32.272 32.500 -0.050 0.000 0.715 240 K HN -0.001 nan 8.250 nan 0.000 0.451 241 E N 1.531 121.750 120.200 0.030 0.000 2.038 241 E HA -0.205 4.145 4.350 0.001 0.000 0.195 241 E C 1.495 178.139 176.600 0.075 0.000 1.000 241 E CA 2.006 58.426 56.400 0.033 0.000 0.803 241 E CB -0.194 29.520 29.700 0.024 0.000 0.750 241 E HN 0.195 nan 8.360 nan 0.000 0.448 242 D N -0.560 119.916 120.400 0.126 0.000 2.218 242 D HA -0.150 4.491 4.640 0.001 0.000 0.204 242 D C 1.585 178.017 176.300 0.219 0.000 0.976 242 D CA 0.694 54.807 54.000 0.188 0.000 0.853 242 D CB -0.429 40.540 40.800 0.282 0.000 0.939 242 D HN 0.232 nan 8.370 nan 0.000 0.481 243 F N 1.965 121.886 119.950 -0.049 0.000 2.134 243 F HA -0.133 4.394 4.527 0.001 0.000 0.299 243 F C 2.142 177.933 175.800 -0.014 0.000 1.097 243 F CA 1.362 59.282 58.000 -0.132 0.000 1.264 243 F CB -0.074 38.686 39.000 -0.401 0.000 1.001 243 F HN -0.190 nan 8.300 nan 0.000 0.479 244 R N 0.329 120.804 120.500 -0.043 0.000 2.082 244 R HA -0.212 4.128 4.340 0.001 0.000 0.234 244 R C 1.828 178.072 176.300 -0.093 0.000 1.136 244 R CA 2.097 58.121 56.100 -0.127 0.000 0.935 244 R CB -1.058 29.212 30.300 -0.050 0.000 0.842 244 R HN 0.268 nan 8.270 nan 0.000 0.430 245 D N 0.706 121.103 120.400 -0.006 0.000 2.203 245 D HA -0.193 4.447 4.640 0.001 0.000 0.199 245 D C 1.683 178.012 176.300 0.049 0.000 0.997 245 D CA 0.893 54.912 54.000 0.032 0.000 0.863 245 D CB -0.143 40.696 40.800 0.065 0.000 0.928 245 D HN 0.067 nan 8.370 nan 0.000 0.458 246 L N 0.246 121.495 121.223 0.044 0.000 2.093 246 L HA -0.008 4.332 4.340 0.001 0.000 0.208 246 L C 1.711 178.679 176.870 0.164 0.000 1.085 246 L CA 1.381 56.282 54.840 0.103 0.000 0.755 246 L CB -0.271 41.865 42.059 0.127 0.000 0.904 246 L HN 0.091 nan 8.230 nan 0.000 0.435 247 I N -0.992 119.545 120.570 -0.055 0.000 2.546 247 I HA -0.203 3.967 4.170 0.001 0.000 0.255 247 I C 2.458 178.574 176.117 -0.001 0.000 1.163 247 I CA 0.687 61.854 61.300 -0.221 0.000 1.457 247 I CB -0.279 37.417 38.000 -0.506 0.000 1.092 247 I HN 0.235 nan 8.210 nan 0.000 0.434 248 R N 0.674 121.210 120.500 0.059 0.000 2.090 248 R HA -0.072 4.268 4.340 0.001 0.000 0.228 248 R C 1.686 178.075 176.300 0.148 0.000 1.110 248 R CA 0.778 56.942 56.100 0.108 0.000 0.973 248 R CB -0.094 30.240 30.300 0.057 0.000 0.869 248 R HN 0.379 nan 8.270 nan 0.000 0.440 249 Q N -0.420 119.480 119.800 0.167 0.000 2.425 249 Q HA -0.006 4.335 4.340 0.001 0.000 0.213 249 Q C 0.620 176.772 176.000 0.253 0.000 0.950 249 Q CA 0.498 56.401 55.803 0.167 0.000 0.979 249 Q CB 0.469 29.290 28.738 0.139 0.000 0.997 249 Q HN 0.414 nan 8.270 nan 0.000 0.509 250 G N -0.339 108.666 108.800 0.341 0.000 3.342 250 G HA2 0.201 4.162 3.960 0.001 0.000 0.252 250 G HA3 0.201 4.162 3.960 0.001 0.000 0.252 250 G C 0.246 175.287 174.900 0.236 0.000 1.011 250 G CA -0.367 45.019 45.100 0.476 0.000 0.869 250 G HN 0.155 nan 8.290 nan 0.000 0.514 251 I N 2.581 123.177 120.570 0.044 0.000 2.533 251 I HA 0.138 4.308 4.170 0.001 0.000 0.284 251 I C 0.692 176.720 176.117 -0.149 0.000 1.109 251 I CA -0.333 60.853 61.300 -0.190 0.000 1.412 251 I CB 1.050 38.974 38.000 -0.127 0.000 1.396 251 I HN -0.070 nan 8.210 nan 0.000 0.543 252 L N 6.652 127.730 121.223 -0.241 0.000 2.489 252 L HA -0.002 4.338 4.340 0.001 0.000 0.285 252 L C 1.061 177.855 176.870 -0.128 0.000 1.259 252 L CA -0.030 54.682 54.840 -0.213 0.000 0.828 252 L CB -0.096 41.780 42.059 -0.306 0.000 1.094 252 L HN 0.604 nan 8.230 nan 0.000 0.524 260 E N -0.117 120.052 120.200 -0.052 0.000 3.701 260 E HA 0.108 4.458 4.350 0.001 0.000 0.206 260 E C 0.160 176.739 176.600 -0.034 0.000 1.229 260 E CA 0.468 56.841 56.400 -0.045 0.000 1.573 260 E CB 1.000 30.665 29.700 -0.058 0.000 1.449 260 E HN 0.366 nan 8.360 nan 0.000 0.618 261 D N -0.164 120.210 120.400 -0.043 0.000 4.378 261 D HA 0.207 4.848 4.640 0.001 0.000 0.318 261 D C -0.627 175.646 176.300 -0.045 0.000 1.651 261 D CA -0.335 53.651 54.000 -0.023 0.000 0.976 261 D CB 0.875 41.673 40.800 -0.004 0.000 1.451 261 D HN -0.114 nan 8.370 nan 0.000 0.665 262 E N -0.051 120.137 120.200 -0.020 0.000 2.274 262 E HA -0.090 4.261 4.350 0.001 0.000 0.293 262 E C 0.044 176.690 176.600 0.077 0.000 1.089 262 E CA 0.587 56.976 56.400 -0.019 0.000 0.857 262 E CB -2.007 27.590 29.700 -0.172 0.000 1.259 262 E HN 0.679 nan 8.360 nan 0.000 0.424 263 E N 0.833 121.084 120.200 0.085 0.000 2.086 263 E HA -0.088 4.262 4.350 0.001 0.000 0.190 263 E C 1.601 178.263 176.600 0.103 0.000 0.975 263 E CA 1.278 57.723 56.400 0.074 0.000 0.813 263 E CB 0.102 29.840 29.700 0.064 0.000 0.768 263 E HN 0.540 nan 8.360 nan 0.000 0.457 264 N N -0.569 118.224 118.700 0.155 0.000 2.166 264 N HA -0.192 4.549 4.740 0.001 0.000 0.186 264 N C 1.726 177.329 175.510 0.156 0.000 1.019 264 N CA 0.907 54.062 53.050 0.176 0.000 0.856 264 N CB -0.407 38.210 38.487 0.217 0.000 0.993 264 N HN 0.023 nan 8.380 nan 0.000 0.426 265 F N 1.391 121.312 119.950 -0.048 0.000 2.069 265 F HA -0.120 4.407 4.527 0.001 0.000 0.298 265 F C 2.718 178.446 175.800 -0.120 0.000 1.113 265 F CA 1.424 59.360 58.000 -0.106 0.000 1.214 265 F CB -0.636 38.305 39.000 -0.099 0.000 0.978 265 F HN 0.091 nan 8.300 nan 0.000 0.474 266 E N 0.379 120.643 120.200 0.107 0.000 2.110 266 E HA -0.226 4.124 4.350 0.001 0.000 0.193 266 E C 2.109 178.656 176.600 -0.088 0.000 0.988 266 E CA 1.553 57.953 56.400 0.000 0.000 0.804 266 E CB -0.320 29.385 29.700 0.008 0.000 0.745 266 E HN 0.498 nan 8.360 nan 0.000 0.458 267 E N -0.549 119.597 120.200 -0.089 0.000 2.051 267 E HA -0.219 4.131 4.350 0.001 0.000 0.192 267 E C 1.972 178.329 176.600 -0.406 0.000 0.991 267 E CA 1.069 57.342 56.400 -0.212 0.000 0.799 267 E CB -0.264 29.368 29.700 -0.113 0.000 0.748 267 E HN 0.324 nan 8.360 nan 0.000 0.449 268 A N 1.355 123.985 122.820 -0.317 0.000 1.884 268 A HA -0.255 4.065 4.320 0.001 0.000 0.219 268 A C 2.162 179.534 177.584 -0.353 0.000 1.197 268 A CA 1.930 53.735 52.037 -0.385 0.000 0.637 268 A CB -0.943 17.877 19.000 -0.300 0.000 0.827 268 A HN 0.358 nan 8.150 nan 0.000 0.450 269 I N -0.433 119.980 120.570 -0.261 0.000 2.068 269 I HA -0.378 3.793 4.170 0.001 0.000 0.238 269 I C 2.504 178.505 176.117 -0.194 0.000 1.046 269 I CA 2.251 63.433 61.300 -0.196 0.000 1.306 269 I CB -0.492 37.425 38.000 -0.139 0.000 1.023 269 I HN 0.326 nan 8.210 nan 0.000 0.399 270 K N 0.609 120.881 120.400 -0.214 0.000 2.127 270 K HA -0.206 4.114 4.320 0.001 0.000 0.208 270 K C 1.794 178.241 176.600 -0.255 0.000 1.047 270 K CA 1.635 57.797 56.287 -0.208 0.000 0.927 270 K CB -0.417 31.956 32.500 -0.211 0.000 0.716 270 K HN 0.394 nan 8.250 nan 0.000 0.450 271 N N 0.667 119.124 118.700 -0.405 0.000 2.331 271 N HA -0.089 4.651 4.740 0.001 0.000 0.180 271 N C 1.657 177.058 175.510 -0.182 0.000 1.019 271 N CA 0.818 53.610 53.050 -0.430 0.000 0.881 271 N CB -0.048 37.873 38.487 -0.944 0.000 0.972 271 N HN -0.017 nan 8.380 nan 0.000 0.435 272 V N 1.698 121.534 119.914 -0.130 0.000 2.828 272 V HA -0.205 3.915 4.120 0.001 0.000 0.260 272 V C 1.989 178.061 176.094 -0.036 0.000 1.101 272 V CA 1.258 63.546 62.300 -0.019 0.000 1.123 272 V CB -0.808 31.053 31.823 0.063 0.000 0.704 272 V HN 0.322 nan 8.190 nan 0.000 0.493 273 N N -0.415 118.247 118.700 -0.064 0.000 2.381 273 N HA -0.109 4.632 4.740 0.001 0.000 0.182 273 N C 1.528 177.019 175.510 -0.032 0.000 1.025 273 N CA 1.700 54.717 53.050 -0.054 0.000 0.888 273 N CB 0.108 38.556 38.487 -0.066 0.000 0.965 273 N HN 0.527 nan 8.380 nan 0.000 0.438 274 T N -1.223 113.319 114.554 -0.021 0.000 3.391 274 T HA 0.300 4.651 4.350 0.001 0.000 0.233 274 T C 1.698 176.420 174.700 0.037 0.000 0.960 274 T CA 0.543 62.653 62.100 0.016 0.000 1.342 274 T CB -0.906 67.985 68.868 0.039 0.000 1.124 274 T HN 0.160 nan 8.240 nan 0.000 0.396 275 A N 1.848 124.714 122.820 0.077 0.000 2.039 275 A HA -0.268 4.052 4.320 0.001 0.000 0.228 275 A C 2.074 179.687 177.584 0.048 0.000 1.379 275 A CA 2.009 54.116 52.037 0.117 0.000 0.704 275 A CB -1.600 17.506 19.000 0.176 0.000 0.831 275 A HN 0.505 nan 8.150 nan 0.000 0.514 276 L N -1.361 119.852 121.223 -0.016 0.000 1.910 276 L HA -0.136 4.204 4.340 0.001 0.000 0.221 276 L C 1.486 178.337 176.870 -0.031 0.000 1.084 276 L CA 1.548 56.344 54.840 -0.073 0.000 0.779 276 L CB -0.590 41.386 42.059 -0.139 0.000 0.888 276 L HN 0.614 nan 8.230 nan 0.000 0.432 277 N N -0.292 118.398 118.700 -0.016 0.000 2.469 277 N HA 0.041 4.781 4.740 0.001 0.000 0.239 277 N C 0.341 175.871 175.510 0.034 0.000 1.053 277 N CA 0.154 53.209 53.050 0.009 0.000 0.937 277 N CB 0.712 39.205 38.487 0.009 0.000 1.163 277 N HN 0.290 nan 8.380 nan 0.000 0.509 278 T N -1.170 113.414 114.554 0.051 0.000 3.004 278 T HA 0.123 4.473 4.350 0.001 0.000 0.266 278 T C 0.366 175.108 174.700 0.071 0.000 0.986 278 T CA 0.026 62.168 62.100 0.070 0.000 0.902 278 T CB 0.321 69.245 68.868 0.093 0.000 1.118 278 T HN 0.169 nan 8.240 nan 0.000 0.522 279 T N 2.719 117.312 114.554 0.065 0.000 2.771 279 T HA 0.700 5.050 4.350 0.001 0.000 0.281 279 T C -1.050 173.683 174.700 0.055 0.000 0.982 279 T CA -0.451 61.689 62.100 0.066 0.000 0.978 279 T CB 1.455 70.369 68.868 0.076 0.000 0.930 279 T HN 0.506 nan 8.240 nan 0.000 0.447 280 Q N 2.873 122.705 119.800 0.053 0.000 2.837 280 Q HA 0.201 4.542 4.340 0.001 0.000 0.239 280 Q C -1.768 174.259 176.000 0.045 0.000 1.001 280 Q CA -0.593 55.241 55.803 0.051 0.000 0.960 280 Q CB 1.060 29.826 28.738 0.046 0.000 1.923 280 Q HN 0.642 nan 8.270 nan 0.000 0.471 281 I N 4.479 125.080 120.570 0.051 0.000 2.452 281 I HA 0.227 4.397 4.170 0.001 0.000 0.287 281 I C -1.938 174.189 176.117 0.016 0.000 1.079 281 I CA -1.702 59.620 61.300 0.037 0.000 1.387 281 I CB 0.616 38.664 38.000 0.079 0.000 1.404 281 I HN 0.442 nan 8.210 nan 0.000 0.522 282 P HA -0.034 nan 4.420 nan 0.000 0.263 282 P C 0.854 178.147 177.300 -0.012 0.000 1.195 282 P CA 0.270 63.370 63.100 0.000 0.000 0.762 282 P CB 0.838 32.538 31.700 0.000 0.000 0.799 283 S N 3.504 119.212 115.700 0.014 0.000 2.390 283 S HA -0.256 4.214 4.470 0.001 0.000 0.234 283 S C 2.047 176.650 174.600 0.004 0.000 1.063 283 S CA 2.465 60.676 58.200 0.019 0.000 1.108 283 S CB -0.981 62.238 63.200 0.032 0.000 0.975 283 S HN 0.619 nan 8.310 nan 0.000 0.442 284 S N 1.383 117.086 115.700 0.005 0.000 2.380 284 S HA -0.134 4.336 4.470 0.001 0.000 0.229 284 S C 1.881 176.454 174.600 -0.046 0.000 1.043 284 S CA 1.710 59.911 58.200 0.002 0.000 1.038 284 S CB -1.001 62.209 63.200 0.016 0.000 0.872 284 S HN 0.659 nan 8.310 nan 0.000 0.456 285 I N 1.694 122.190 120.570 -0.124 0.000 2.202 285 I HA -0.117 4.054 4.170 0.001 0.000 0.242 285 I C 3.005 178.892 176.117 -0.384 0.000 1.091 285 I CA 1.366 62.475 61.300 -0.318 0.000 1.368 285 I CB -0.450 37.283 38.000 -0.444 0.000 1.058 285 I HN 0.282 nan 8.210 nan 0.000 0.410 286 E N 1.125 121.215 120.200 -0.183 0.000 2.065 286 E HA -0.267 4.084 4.350 0.001 0.000 0.201 286 E C 1.715 178.360 176.600 0.075 0.000 1.016 286 E CA 1.635 58.040 56.400 0.009 0.000 0.818 286 E CB -0.493 29.248 29.700 0.069 0.000 0.749 286 E HN 0.507 nan 8.360 nan 0.000 0.453 287 D N 0.381 120.812 120.400 0.052 0.000 2.190 287 D HA -0.156 4.485 4.640 0.001 0.000 0.200 287 D C 2.123 178.516 176.300 0.154 0.000 0.992 287 D CA 0.767 54.824 54.000 0.095 0.000 0.854 287 D CB -0.244 40.603 40.800 0.079 0.000 0.936 287 D HN 0.287 nan 8.370 nan 0.000 0.462 288 I N -0.009 120.645 120.570 0.140 0.000 2.162 288 I HA -0.193 3.977 4.170 0.001 0.000 0.238 288 I C 2.408 178.780 176.117 0.425 0.000 1.076 288 I CA 0.636 62.123 61.300 0.312 0.000 1.353 288 I CB -0.408 37.696 38.000 0.174 0.000 1.063 288 I HN -0.089 nan 8.210 nan 0.000 0.408 289 F N 1.370 121.429 119.950 0.181 0.000 2.087 289 F HA -0.315 4.212 4.527 0.001 0.000 0.299 289 F C 2.188 178.043 175.800 0.091 0.000 1.100 289 F CA 0.980 59.053 58.000 0.121 0.000 1.226 289 F CB -0.414 38.627 39.000 0.069 0.000 0.983 289 F HN 0.224 nan 8.300 nan 0.000 0.479 290 N N 0.169 119.041 118.700 0.288 0.000 2.521 290 N HA -0.088 4.653 4.740 0.001 0.000 0.188 290 N C 0.047 175.614 175.510 0.095 0.000 1.146 290 N CA 0.435 53.576 53.050 0.152 0.000 0.893 290 N CB -0.508 38.053 38.487 0.123 0.000 0.975 290 N HN 0.262 nan 8.380 nan 0.000 0.451 291 D N 1.098 121.564 120.400 0.110 0.000 2.345 291 D HA -0.057 4.583 4.640 0.001 0.000 0.247 291 D C 0.865 177.087 176.300 -0.130 0.000 1.108 291 D CA -0.142 53.854 54.000 -0.008 0.000 0.894 291 D CB 1.297 42.088 40.800 -0.014 0.000 1.203 291 D HN 0.034 nan 8.370 nan 0.000 0.430 292 D N 3.256 123.567 120.400 -0.147 0.000 2.133 292 D HA -0.226 4.415 4.640 0.001 0.000 0.195 292 D C 1.696 177.831 176.300 -0.276 0.000 0.997 292 D CA 1.028 54.932 54.000 -0.161 0.000 0.840 292 D CB 0.223 40.950 40.800 -0.122 0.000 0.947 292 D HN 0.383 nan 8.370 nan 0.000 0.452 293 R N -0.331 119.858 120.500 -0.519 0.000 2.120 293 R HA -0.102 4.238 4.340 0.001 0.000 0.234 293 R C 2.610 178.521 176.300 -0.648 0.000 1.123 293 R CA 1.299 56.921 56.100 -0.796 0.000 0.975 293 R CB -0.608 28.725 30.300 -1.611 0.000 0.866 293 R HN 0.293 nan 8.270 nan 0.000 0.446 294 C N -0.751 118.249 119.300 -0.500 0.000 2.485 294 C HA 0.190 4.650 4.460 0.001 0.000 0.278 294 C C 2.186 177.169 174.990 -0.011 0.000 1.356 294 C CA 0.055 59.065 59.018 -0.014 0.000 1.747 294 C CB -0.632 27.259 27.740 0.252 0.000 2.001 294 C HN 0.515 nan 8.230 nan 0.000 0.501 295 I N 0.917 121.447 120.570 -0.066 0.000 2.385 295 I HA 0.030 4.200 4.170 0.001 0.000 0.244 295 I C 0.341 176.426 176.117 -0.052 0.000 1.089 295 I CA 0.769 62.041 61.300 -0.047 0.000 1.410 295 I CB -0.371 37.604 38.000 -0.042 0.000 1.117 295 I HN 0.266 nan 8.210 nan 0.000 0.429 296 N N 2.897 121.553 118.700 -0.073 0.000 2.500 296 N HA 0.373 5.113 4.740 0.001 0.000 0.236 296 N C -0.603 174.871 175.510 -0.060 0.000 1.022 296 N CA 0.093 53.108 53.050 -0.059 0.000 0.935 296 N CB 1.094 39.545 38.487 -0.059 0.000 1.147 296 N HN 0.161 nan 8.380 nan 0.000 0.512 297 I N 0.795 121.346 120.570 -0.033 0.000 2.577 297 I HA 0.402 4.572 4.170 0.001 0.000 0.300 297 I C 0.991 177.103 176.117 -0.008 0.000 0.990 297 I CA -0.493 60.799 61.300 -0.014 0.000 1.283 297 I CB 1.519 39.524 38.000 0.007 0.000 1.411 297 I HN 0.367 nan 8.210 nan 0.000 0.515 298 T N -0.367 114.188 114.554 0.002 0.000 2.762 298 T HA 0.329 4.680 4.350 0.001 0.000 0.301 298 T C 0.271 174.980 174.700 0.015 0.000 1.299 298 T CA -1.009 61.093 62.100 0.004 0.000 1.005 298 T CB 1.618 70.484 68.868 -0.003 0.000 1.377 298 T HN 0.521 nan 8.240 nan 0.000 0.504 299 K N 0.061 120.469 120.400 0.012 0.000 2.360 299 K HA -0.095 4.226 4.320 0.001 0.000 0.201 299 K C 2.140 178.753 176.600 0.022 0.000 1.046 299 K CA 1.102 57.398 56.287 0.016 0.000 0.945 299 K CB -0.046 32.460 32.500 0.011 0.000 0.750 299 K HN 0.420 nan 8.250 nan 0.000 0.464 300 Q N 0.188 120.000 119.800 0.020 0.000 2.083 300 Q HA -0.024 4.316 4.340 0.001 0.000 0.198 300 Q C 0.682 176.708 176.000 0.044 0.000 0.969 300 Q CA 0.774 56.592 55.803 0.024 0.000 0.838 300 Q CB -0.636 28.110 28.738 0.013 0.000 0.900 300 Q HN 0.134 nan 8.270 nan 0.000 0.436 301 T N 4.955 119.538 114.554 0.049 0.000 2.819 301 T HA 0.001 4.351 4.350 0.001 0.000 0.282 301 T C -2.099 172.681 174.700 0.133 0.000 1.013 301 T CA -0.396 61.761 62.100 0.095 0.000 1.159 301 T CB 0.333 69.253 68.868 0.088 0.000 1.007 301 T HN 0.171 nan 8.240 nan 0.000 0.514 302 P HA 0.159 nan 4.420 nan 0.000 0.274 302 P C 0.991 178.398 177.300 0.177 0.000 1.246 302 P CA -0.413 62.795 63.100 0.182 0.000 0.795 302 P CB 0.825 32.656 31.700 0.219 0.000 1.006 303 S N 1.341 117.107 115.700 0.110 0.000 2.380 303 S HA -0.253 4.217 4.470 0.001 0.000 0.229 303 S C 1.672 176.310 174.600 0.063 0.000 1.050 303 S CA 1.630 59.872 58.200 0.071 0.000 1.100 303 S CB -1.193 62.033 63.200 0.044 0.000 0.984 303 S HN 0.503 nan 8.310 nan 0.000 0.434 304 F N 0.717 120.612 119.950 -0.091 0.000 2.021 304 F HA -0.231 4.296 4.527 0.001 0.000 0.297 304 F C 1.901 177.597 175.800 -0.173 0.000 1.152 304 F CA 2.452 60.321 58.000 -0.217 0.000 1.201 304 F CB -1.153 37.591 39.000 -0.426 0.000 0.951 304 F HN 0.395 nan 8.300 nan 0.000 0.504 305 W N 0.630 121.975 121.300 0.075 0.000 2.308 305 W HA -0.275 4.385 4.660 0.001 0.000 0.301 305 W C 2.557 179.000 176.519 -0.127 0.000 1.220 305 W CA 1.458 58.778 57.345 -0.041 0.000 1.240 305 W CB -0.682 28.855 29.460 0.128 0.000 1.142 305 W HN 0.146 nan 8.180 nan 0.000 0.521 306 I N -0.107 120.543 120.570 0.134 0.000 2.163 306 I HA -0.361 3.809 4.170 0.001 0.000 0.243 306 I C 2.255 178.355 176.117 -0.028 0.000 1.085 306 I CA 1.439 62.775 61.300 0.059 0.000 1.347 306 I CB -0.700 37.327 38.000 0.044 0.000 1.044 306 I HN -0.015 nan 8.210 nan 0.000 0.408 307 L N 0.251 121.396 121.223 -0.131 0.000 2.127 307 L HA -0.234 4.106 4.340 0.001 0.000 0.211 307 L C 2.782 179.534 176.870 -0.197 0.000 1.089 307 L CA 1.194 55.927 54.840 -0.180 0.000 0.757 307 L CB -0.804 41.099 42.059 -0.260 0.000 0.899 307 L HN 0.274 nan 8.230 nan 0.000 0.434 308 A N 0.570 123.214 122.820 -0.293 0.000 1.845 308 A HA -0.265 4.055 4.320 0.001 0.000 0.215 308 A C 2.354 180.003 177.584 0.109 0.000 1.195 308 A CA 1.968 53.934 52.037 -0.118 0.000 0.616 308 A CB -0.540 18.413 19.000 -0.080 0.000 0.832 308 A HN 0.327 nan 8.150 nan 0.000 0.443 309 R N 0.456 121.006 120.500 0.084 0.000 2.080 309 R HA -0.076 4.265 4.340 0.001 0.000 0.236 309 R C 2.065 178.333 176.300 -0.054 0.000 1.137 309 R CA 2.301 58.406 56.100 0.009 0.000 0.943 309 R CB -1.254 29.060 30.300 0.024 0.000 0.846 309 R HN 0.403 nan 8.270 nan 0.000 0.431 310 A N 0.186 122.997 122.820 -0.015 0.000 2.093 310 A HA -0.146 4.175 4.320 0.001 0.000 0.222 310 A C 1.990 179.580 177.584 0.010 0.000 1.162 310 A CA 1.598 53.644 52.037 0.014 0.000 0.655 310 A CB -0.522 18.494 19.000 0.026 0.000 0.805 310 A HN 0.352 nan 8.150 nan 0.000 0.461 311 L N -0.750 120.478 121.223 0.007 0.000 2.130 311 L HA 0.056 4.396 4.340 0.001 0.000 0.200 311 L C 2.271 179.121 176.870 -0.033 0.000 1.075 311 L CA 2.119 57.004 54.840 0.074 0.000 0.768 311 L CB -0.798 41.386 42.059 0.208 0.000 0.933 311 L HN 0.465 nan 8.230 nan 0.000 0.451 312 K N -0.473 119.686 120.400 -0.402 0.000 2.059 312 K HA -0.235 4.085 4.320 0.001 0.000 0.212 312 K C 1.866 178.175 176.600 -0.485 0.000 1.050 312 K CA 1.699 57.372 56.287 -1.023 0.000 0.927 312 K CB 0.029 31.872 32.500 -1.096 0.000 0.714 312 K HN 0.208 nan 8.250 nan 0.000 0.447 313 E N 0.013 119.984 120.200 -0.381 0.000 2.118 313 E HA -0.207 4.143 4.350 0.001 0.000 0.195 313 E C 1.759 178.010 176.600 -0.582 0.000 0.992 313 E CA 1.054 57.170 56.400 -0.474 0.000 0.804 313 E CB -0.325 29.044 29.700 -0.552 0.000 0.741 313 E HN 0.411 nan 8.360 nan 0.000 0.458 314 F N 1.193 120.829 119.950 -0.524 0.000 2.113 314 F HA -0.200 4.327 4.527 0.001 0.000 0.297 314 F C 2.209 177.923 175.800 -0.144 0.000 1.103 314 F CA 0.981 58.843 58.000 -0.230 0.000 1.248 314 F CB -0.227 38.760 39.000 -0.022 0.000 0.999 314 F HN -0.206 nan 8.300 nan 0.000 0.475 315 V N 1.102 121.043 119.914 0.046 0.000 2.231 315 V HA -0.377 3.743 4.120 0.001 0.000 0.248 315 V C 2.807 178.802 176.094 -0.166 0.000 1.054 315 V CA 2.095 64.387 62.300 -0.013 0.000 1.015 315 V CB -1.805 30.034 31.823 0.027 0.000 0.638 315 V HN 0.519 nan 8.190 nan 0.000 0.444 316 A N -0.425 122.274 122.820 -0.202 0.000 1.873 316 A HA -0.262 4.058 4.320 0.001 0.000 0.218 316 A C 2.070 179.542 177.584 -0.186 0.000 1.193 316 A CA 2.393 54.322 52.037 -0.180 0.000 0.629 316 A CB -0.399 18.487 19.000 -0.190 0.000 0.826 316 A HN 0.574 nan 8.150 nan 0.000 0.447 317 K N -0.540 119.720 120.400 -0.233 0.000 3.073 317 K HA -0.031 4.289 4.320 0.001 0.000 0.232 317 K C 1.638 178.073 176.600 -0.275 0.000 1.135 317 K CA 0.501 56.673 56.287 -0.191 0.000 1.428 317 K CB -0.245 32.195 32.500 -0.101 0.000 1.921 317 K HN 0.375 nan 8.250 nan 0.000 0.546 318 E N 0.336 120.356 120.200 -0.300 0.000 2.492 318 E HA -0.132 4.218 4.350 0.001 0.000 0.204 318 E C 1.211 177.394 176.600 -0.694 0.000 1.073 318 E CA 1.201 57.370 56.400 -0.386 0.000 0.887 318 E CB -0.457 29.088 29.700 -0.259 0.000 0.813 318 E HN 0.679 nan 8.360 nan 0.000 0.562 319 G N 0.346 108.558 108.800 -0.981 0.000 2.880 319 G HA2 -0.156 3.805 3.960 0.001 0.000 0.209 319 G HA3 -0.156 3.805 3.960 0.001 0.000 0.209 319 G C 0.529 175.271 174.900 -0.263 0.000 1.157 319 G CA -0.122 44.442 45.100 -0.893 0.000 0.779 319 G HN 0.295 nan 8.290 nan 0.000 0.539 320 Q N -1.117 118.545 119.800 -0.230 0.000 2.439 320 Q HA -0.252 4.089 4.340 0.001 0.000 0.325 320 Q C 1.510 177.481 176.000 -0.048 0.000 1.372 320 Q CA 0.353 56.092 55.803 -0.107 0.000 0.909 320 Q CB -1.607 27.091 28.738 -0.067 0.000 1.167 320 Q HN 1.003 nan 8.270 nan 0.000 0.418 321 G N -1.227 107.544 108.800 -0.048 0.000 2.336 321 G HA2 -0.303 3.657 3.960 0.001 0.000 0.233 321 G HA3 -0.303 3.657 3.960 0.001 0.000 0.233 321 G C 0.045 174.977 174.900 0.054 0.000 1.053 321 G CA 0.261 45.363 45.100 0.003 0.000 0.625 321 G HN 0.464 nan 8.290 nan 0.000 0.511 322 N N -0.304 118.442 118.700 0.076 0.000 2.457 322 N HA 0.740 5.481 4.740 0.001 0.000 0.290 322 N C 0.263 175.909 175.510 0.227 0.000 1.232 322 N CA -0.792 52.337 53.050 0.132 0.000 0.852 322 N CB 1.255 39.806 38.487 0.107 0.000 1.313 322 N HN 0.279 nan 8.380 nan 0.000 0.522 323 L N 0.750 122.092 121.223 0.198 0.000 2.456 323 L HA 0.201 4.541 4.340 0.001 0.000 0.266 323 L C -1.855 175.106 176.870 0.151 0.000 1.258 323 L CA -0.880 54.067 54.840 0.178 0.000 0.823 323 L CB -0.175 41.903 42.059 0.032 0.000 1.100 323 L HN 0.382 nan 8.230 nan 0.000 0.531 324 P HA 0.055 nan 4.420 nan 0.000 0.272 324 P C -0.969 176.259 177.300 -0.120 0.000 1.230 324 P CA -0.398 62.540 63.100 -0.270 0.000 0.788 324 P CB 0.501 31.840 31.700 -0.601 0.000 0.949 325 V N 3.212 123.062 119.914 -0.107 0.000 2.572 325 V HA 0.053 4.174 4.120 0.001 0.000 0.291 325 V C 2.067 178.113 176.094 -0.079 0.000 1.039 325 V CA 0.286 62.541 62.300 -0.074 0.000 1.055 325 V CB 0.310 32.030 31.823 -0.172 0.000 0.969 325 V HN 0.572 nan 8.190 nan 0.000 0.482 326 R N 3.198 123.678 120.500 -0.034 0.000 2.070 326 R HA -0.013 4.328 4.340 0.001 0.000 0.232 326 R C 1.554 177.843 176.300 -0.018 0.000 1.138 326 R CA 1.728 57.798 56.100 -0.051 0.000 0.936 326 R CB -0.359 29.922 30.300 -0.032 0.000 0.839 326 R HN 1.146 nan 8.270 nan 0.000 0.429 327 G N -0.342 108.489 108.800 0.052 0.000 2.144 327 G HA2 -0.236 3.724 3.960 0.001 0.000 0.218 327 G HA3 -0.236 3.724 3.960 0.001 0.000 0.218 327 G C 0.015 174.916 174.900 0.002 0.000 0.988 327 G CA 0.422 45.564 45.100 0.071 0.000 0.659 327 G HN 0.631 nan 8.290 nan 0.000 0.522 328 T N -0.978 113.550 114.554 -0.044 0.000 2.841 328 T HA 0.760 5.110 4.350 0.001 0.000 0.283 328 T C -0.069 174.523 174.700 -0.179 0.000 1.000 328 T CA -0.336 61.717 62.100 -0.077 0.000 0.977 328 T CB 2.233 71.092 68.868 -0.014 0.000 0.979 328 T HN 1.395 nan 8.240 nan 0.000 0.446 329 I N 0.680 121.113 120.570 -0.228 0.000 2.608 329 I HA 0.696 4.866 4.170 0.001 0.000 0.295 329 I C -2.524 173.525 176.117 -0.113 0.000 1.049 329 I CA -2.921 58.191 61.300 -0.312 0.000 1.063 329 I CB 2.187 39.814 38.000 -0.621 0.000 1.248 329 I HN 0.420 nan 8.210 nan 0.000 0.424 330 P HA 0.028 nan 4.420 nan 0.000 0.269 330 P C -0.786 176.566 177.300 0.086 0.000 1.217 330 P CA 0.096 63.215 63.100 0.031 0.000 0.783 330 P CB 0.697 32.465 31.700 0.113 0.000 0.898 331 D N 1.063 121.519 120.400 0.095 0.000 2.368 331 D HA 0.354 4.994 4.640 0.001 0.000 0.240 331 D C -0.261 176.096 176.300 0.095 0.000 1.169 331 D CA 0.104 54.101 54.000 -0.005 0.000 0.906 331 D CB 0.242 40.994 40.800 -0.079 0.000 1.187 331 D HN 0.341 nan 8.370 nan 0.000 0.435 332 M N 1.085 120.700 119.600 0.025 0.000 2.389 332 M HA 0.281 4.762 4.480 0.001 0.000 0.291 332 M C -0.925 175.450 176.300 0.125 0.000 1.128 332 M CA -0.879 54.545 55.300 0.205 0.000 0.942 332 M CB 0.972 33.671 32.600 0.164 0.000 1.783 332 M HN 0.164 nan 8.290 nan 0.000 0.501 333 I N 2.960 123.627 120.570 0.161 0.000 2.978 333 I HA 0.264 4.435 4.170 0.001 0.000 0.293 333 I C 0.486 176.684 176.117 0.135 0.000 1.218 333 I CA 0.754 62.120 61.300 0.110 0.000 1.393 333 I CB -0.438 37.643 38.000 0.135 0.000 1.394 333 I HN 0.836 nan 8.210 nan 0.000 0.541 334 A N 5.756 128.619 122.820 0.072 0.000 2.586 334 A HA 0.317 4.638 4.320 0.001 0.000 0.291 334 A C -0.826 176.751 177.584 -0.011 0.000 1.062 334 A CA -0.811 51.294 52.037 0.112 0.000 0.666 334 A CB 1.215 20.353 19.000 0.229 0.000 1.281 334 A HN 0.633 nan 8.150 nan 0.000 0.421 335 D N 0.682 121.087 120.400 0.009 0.000 2.419 335 D HA 0.079 4.720 4.640 0.001 0.000 0.236 335 D C 1.445 177.740 176.300 -0.010 0.000 1.165 335 D CA 1.035 54.971 54.000 -0.106 0.000 0.882 335 D CB 1.458 42.304 40.800 0.078 0.000 1.201 335 D HN 0.446 nan 8.370 nan 0.000 0.443 336 S N 2.243 117.916 115.700 -0.046 0.000 2.398 336 S HA -0.162 4.308 4.470 0.001 0.000 0.220 336 S C 1.977 176.624 174.600 0.078 0.000 1.038 336 S CA 2.012 60.217 58.200 0.007 0.000 1.080 336 S CB -0.738 62.457 63.200 -0.008 0.000 1.039 336 S HN 0.701 nan 8.310 nan 0.000 0.419 337 G N 1.025 109.867 108.800 0.071 0.000 2.432 337 G HA2 -0.178 3.783 3.960 0.001 0.000 0.219 337 G HA3 -0.178 3.783 3.960 0.001 0.000 0.219 337 G C 1.508 176.481 174.900 0.121 0.000 1.135 337 G CA 0.781 45.933 45.100 0.087 0.000 0.767 337 G HN 0.566 nan 8.290 nan 0.000 0.550 338 K N -0.773 119.714 120.400 0.145 0.000 2.026 338 K HA -0.096 4.224 4.320 0.001 0.000 0.208 338 K C 2.173 178.903 176.600 0.216 0.000 1.048 338 K CA 1.241 57.649 56.287 0.202 0.000 0.929 338 K CB -0.344 32.292 32.500 0.227 0.000 0.713 338 K HN 0.421 nan 8.250 nan 0.000 0.439 339 Y N 1.852 122.200 120.300 0.080 0.000 2.145 339 Y HA -0.199 4.351 4.550 0.000 0.000 0.286 339 Y C 1.937 177.851 175.900 0.024 0.000 1.145 339 Y CA 1.275 59.398 58.100 0.039 0.000 1.148 339 Y CB -0.128 38.331 38.460 -0.002 0.000 0.981 339 Y HN -0.052 nan 8.280 nan 0.000 0.507 340 I N 0.407 121.091 120.570 0.190 0.000 2.099 340 I HA -0.380 3.791 4.170 0.001 0.000 0.239 340 I C 2.588 178.690 176.117 -0.024 0.000 1.066 340 I CA 1.980 63.333 61.300 0.088 0.000 1.324 340 I CB -0.543 37.524 38.000 0.111 0.000 1.037 340 I HN 0.186 nan 8.210 nan 0.000 0.401 341 K N 0.720 121.135 120.400 0.025 0.000 2.077 341 K HA -0.292 4.028 4.320 0.001 0.000 0.213 341 K C 2.181 178.693 176.600 -0.147 0.000 1.051 341 K CA 2.078 58.367 56.287 0.003 0.000 0.929 341 K CB -0.308 32.269 32.500 0.128 0.000 0.715 341 K HN 0.140 nan 8.250 nan 0.000 0.451 342 L N 1.552 122.677 121.223 -0.163 0.000 2.046 342 L HA -0.213 4.127 4.340 0.001 0.000 0.208 342 L C 2.431 179.175 176.870 -0.211 0.000 1.077 342 L CA 1.878 56.539 54.840 -0.299 0.000 0.747 342 L CB -0.805 41.164 42.059 -0.151 0.000 0.896 342 L HN 0.346 nan 8.230 nan 0.000 0.432 343 Q N -0.428 119.190 119.800 -0.305 0.000 2.002 343 Q HA -0.283 4.058 4.340 0.001 0.000 0.204 343 Q C 2.049 178.012 176.000 -0.061 0.000 0.988 343 Q CA 2.377 58.033 55.803 -0.244 0.000 0.843 343 Q CB -0.153 28.445 28.738 -0.234 0.000 0.908 343 Q HN 0.612 nan 8.270 nan 0.000 0.420 344 N N -0.420 118.239 118.700 -0.068 0.000 2.094 344 N HA -0.188 4.553 4.740 0.001 0.000 0.191 344 N C 1.667 177.155 175.510 -0.037 0.000 1.023 344 N CA 1.604 54.630 53.050 -0.040 0.000 0.857 344 N CB -0.367 38.095 38.487 -0.041 0.000 1.013 344 N HN 0.090 nan 8.380 nan 0.000 0.426 345 V N 0.071 119.928 119.914 -0.096 0.000 2.250 345 V HA -0.317 3.804 4.120 0.001 0.000 0.250 345 V C 1.634 177.724 176.094 -0.006 0.000 1.060 345 V CA 1.765 63.989 62.300 -0.126 0.000 1.030 345 V CB -0.837 30.770 31.823 -0.360 0.000 0.643 345 V HN 0.332 nan 8.190 nan 0.000 0.445 346 Y N -0.021 120.260 120.300 -0.032 0.000 2.163 346 Y HA -0.174 4.377 4.550 0.001 0.000 0.288 346 Y C 2.733 178.589 175.900 -0.073 0.000 1.136 346 Y CA 2.020 60.133 58.100 0.023 0.000 1.147 346 Y CB -0.509 37.945 38.460 -0.009 0.000 0.987 346 Y HN 0.063 nan 8.280 nan 0.000 0.509 347 R N 0.558 121.115 120.500 0.096 0.000 2.115 347 R HA -0.225 4.116 4.340 0.001 0.000 0.239 347 R C 2.094 178.373 176.300 -0.035 0.000 1.133 347 R CA 2.081 58.187 56.100 0.011 0.000 0.935 347 R CB -0.192 30.107 30.300 -0.003 0.000 0.853 347 R HN 0.240 nan 8.270 nan 0.000 0.433 348 E N 0.714 120.889 120.200 -0.043 0.000 2.038 348 E HA -0.242 4.109 4.350 0.001 0.000 0.195 348 E C 1.861 178.390 176.600 -0.118 0.000 1.000 348 E CA 1.462 57.821 56.400 -0.067 0.000 0.803 348 E CB -0.290 29.378 29.700 -0.054 0.000 0.750 348 E HN 0.180 nan 8.360 nan 0.000 0.448 349 K N 1.238 121.525 120.400 -0.189 0.000 2.020 349 K HA -0.137 4.183 4.320 0.001 0.000 0.212 349 K C 1.965 178.395 176.600 -0.283 0.000 1.050 349 K CA 1.919 57.984 56.287 -0.369 0.000 0.929 349 K CB -0.722 31.230 32.500 -0.913 0.000 0.714 349 K HN 0.075 nan 8.250 nan 0.000 0.443 350 A N 0.879 123.569 122.820 -0.216 0.000 1.908 350 A HA -0.235 4.085 4.320 0.001 0.000 0.218 350 A C 2.195 179.697 177.584 -0.137 0.000 1.181 350 A CA 2.142 54.082 52.037 -0.160 0.000 0.627 350 A CB -0.663 18.279 19.000 -0.097 0.000 0.818 350 A HN 0.488 nan 8.150 nan 0.000 0.445 351 K N -0.231 120.103 120.400 -0.110 0.000 2.148 351 K HA -0.149 4.171 4.320 0.001 0.000 0.204 351 K C 1.946 178.493 176.600 -0.088 0.000 1.050 351 K CA 1.536 57.769 56.287 -0.090 0.000 0.942 351 K CB -0.125 32.333 32.500 -0.070 0.000 0.724 351 K HN 0.516 nan 8.250 nan 0.000 0.446 352 K N 0.526 120.870 120.400 -0.093 0.000 1.991 352 K HA -0.113 4.207 4.320 0.001 0.000 0.207 352 K C 1.732 178.311 176.600 -0.035 0.000 1.045 352 K CA 1.847 58.094 56.287 -0.065 0.000 0.937 352 K CB -0.177 32.278 32.500 -0.075 0.000 0.720 352 K HN 0.093 nan 8.250 nan 0.000 0.438 353 D N 0.939 121.315 120.400 -0.040 0.000 2.190 353 D HA -0.188 4.453 4.640 0.001 0.000 0.200 353 D C 1.699 177.905 176.300 -0.157 0.000 0.992 353 D CA 1.342 55.357 54.000 0.024 0.000 0.854 353 D CB -0.184 40.575 40.800 -0.070 0.000 0.936 353 D HN 0.279 nan 8.370 nan 0.000 0.462 354 A N 0.983 123.707 122.820 -0.160 0.000 1.849 354 A HA -0.137 4.183 4.320 0.001 0.000 0.217 354 A C 2.339 179.855 177.584 -0.113 0.000 1.202 354 A CA 2.609 54.547 52.037 -0.164 0.000 0.629 354 A CB -1.206 17.719 19.000 -0.125 0.000 0.834 354 A HN 0.255 nan 8.150 nan 0.000 0.447 355 A N -0.362 122.415 122.820 -0.071 0.000 1.883 355 A HA 0.087 4.407 4.320 0.001 0.000 0.217 355 A C 2.560 180.123 177.584 -0.035 0.000 1.186 355 A CA 2.630 54.635 52.037 -0.053 0.000 0.624 355 A CB -1.278 17.694 19.000 -0.046 0.000 0.822 355 A HN 1.308 nan 8.150 nan 0.000 0.444 356 A N -0.431 122.405 122.820 0.026 0.000 1.881 356 A HA -0.179 4.142 4.320 0.001 0.000 0.219 356 A C 2.229 179.896 177.584 0.137 0.000 1.215 356 A CA 2.454 54.562 52.037 0.119 0.000 0.648 356 A CB -1.300 17.965 19.000 0.441 0.000 0.832 356 A HN 0.629 nan 8.150 nan 0.000 0.455 357 V N -0.090 119.905 119.914 0.135 0.000 2.490 357 V HA -0.173 3.947 4.120 0.001 0.000 0.250 357 V C 2.753 178.869 176.094 0.037 0.000 1.061 357 V CA 1.851 64.216 62.300 0.107 0.000 1.064 357 V CB -1.615 30.100 31.823 -0.180 0.000 0.670 357 V HN 0.663 nan 8.190 nan 0.000 0.461 358 G N -0.072 108.708 108.800 -0.034 0.000 2.422 358 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 358 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 358 G C 1.394 176.262 174.900 -0.053 0.000 1.146 358 G CA 1.125 46.197 45.100 -0.047 0.000 0.769 358 G HN 0.618 nan 8.290 nan 0.000 0.547 359 N N -0.353 118.283 118.700 -0.106 0.000 2.062 359 N HA -0.103 4.637 4.740 0.001 0.000 0.191 359 N C 2.016 177.447 175.510 -0.132 0.000 1.042 359 N CA 0.809 53.764 53.050 -0.158 0.000 0.845 359 N CB -0.240 38.090 38.487 -0.261 0.000 1.024 359 N HN 0.220 nan 8.380 nan 0.000 0.424 360 H N 0.629 119.708 119.070 0.014 0.000 2.394 360 H HA -0.114 4.442 4.556 0.001 0.000 0.297 360 H C 2.274 177.598 175.328 -0.006 0.000 1.113 360 H CA 0.991 57.043 56.048 0.008 0.000 1.277 360 H CB -0.607 29.171 29.762 0.027 0.000 1.370 360 H HN 0.078 nan 8.280 nan 0.000 0.506 361 V N 1.255 121.224 119.914 0.092 0.000 2.220 361 V HA -0.309 3.811 4.120 0.001 0.000 0.246 361 V C 2.882 178.988 176.094 0.020 0.000 1.049 361 V CA 1.918 64.240 62.300 0.038 0.000 1.003 361 V CB -1.235 30.589 31.823 0.003 0.000 0.634 361 V HN 0.530 nan 8.190 nan 0.000 0.444 362 A N -0.224 122.595 122.820 -0.001 0.000 1.869 362 A HA -0.361 3.960 4.320 0.001 0.000 0.218 362 A C 2.227 179.812 177.584 0.001 0.000 1.203 362 A CA 2.728 54.761 52.037 -0.008 0.000 0.638 362 A CB -0.745 18.241 19.000 -0.022 0.000 0.831 362 A HN 0.587 nan 8.150 nan 0.000 0.450 363 K N -1.167 119.236 120.400 0.004 0.000 2.077 363 K HA -0.220 4.100 4.320 0.001 0.000 0.213 363 K C 1.870 178.483 176.600 0.022 0.000 1.051 363 K CA 1.692 57.987 56.287 0.014 0.000 0.929 363 K CB -0.483 32.036 32.500 0.032 0.000 0.715 363 K HN 0.328 nan 8.250 nan 0.000 0.451 364 L N 0.956 122.199 121.223 0.033 0.000 1.976 364 L HA -0.169 4.171 4.340 0.001 0.000 0.209 364 L C 2.211 179.092 176.870 0.018 0.000 1.071 364 L CA 1.543 56.399 54.840 0.027 0.000 0.746 364 L CB -0.773 41.305 42.059 0.032 0.000 0.890 364 L HN 0.177 nan 8.230 nan 0.000 0.432 365 L N -1.204 120.028 121.223 0.016 0.000 2.089 365 L HA -0.320 4.021 4.340 0.001 0.000 0.213 365 L C 2.624 179.499 176.870 0.008 0.000 1.079 365 L CA 1.303 56.149 54.840 0.011 0.000 0.758 365 L CB -0.617 41.445 42.059 0.006 0.000 0.891 365 L HN 0.444 nan 8.230 nan 0.000 0.433 366 Q N -0.204 119.600 119.800 0.006 0.000 1.990 366 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 366 Q C 2.116 178.119 176.000 0.004 0.000 0.980 366 Q CA 1.785 57.590 55.803 0.003 0.000 0.832 366 Q CB -0.246 28.493 28.738 0.000 0.000 0.897 366 Q HN 0.603 nan 8.270 nan 0.000 0.427 367 S N -0.408 115.296 115.700 0.006 0.000 2.889 367 S HA -0.013 4.458 4.470 0.001 0.000 0.235 367 S C 1.221 175.824 174.600 0.005 0.000 0.978 367 S CA 0.514 58.717 58.200 0.005 0.000 1.010 367 S CB -0.347 62.856 63.200 0.005 0.000 0.799 367 S HN 0.313 nan 8.310 nan 0.000 0.534 368 I N -1.752 118.822 120.570 0.007 0.000 4.922 368 I HA 0.328 4.498 4.170 0.001 0.000 0.331 368 I C 1.685 177.806 176.117 0.007 0.000 1.260 368 I CA 0.307 61.612 61.300 0.008 0.000 1.366 368 I CB 0.757 38.765 38.000 0.013 0.000 1.386 368 I HN 0.496 nan 8.210 nan 0.000 0.483 369 G N 0.781 109.584 108.800 0.005 0.000 2.981 369 G HA2 -0.182 3.779 3.960 0.001 0.000 0.199 369 G HA3 -0.182 3.779 3.960 0.001 0.000 0.199 369 G C 0.058 174.960 174.900 0.004 0.000 1.586 369 G CA -0.573 44.529 45.100 0.004 0.000 1.162 369 G HN 0.254 nan 8.290 nan 0.000 0.538 370 Q N 1.694 121.497 119.800 0.006 0.000 2.431 370 Q HA 0.379 4.719 4.340 0.001 0.000 0.349 370 Q C 0.766 176.768 176.000 0.003 0.000 1.119 370 Q CA 0.273 56.080 55.803 0.006 0.000 1.065 370 Q CB 0.564 29.308 28.738 0.009 0.000 1.149 370 Q HN 1.062 nan 8.270 nan 0.000 0.403 371 A N 5.007 127.827 122.820 0.000 0.000 2.511 371 A HA 0.141 4.461 4.320 0.001 0.000 0.242 371 A C -1.537 176.045 177.584 -0.004 0.000 1.069 371 A CA -1.214 50.821 52.037 -0.003 0.000 0.763 371 A CB 0.007 19.004 19.000 -0.004 0.000 1.001 371 A HN 0.582 nan 8.150 nan 0.000 0.498 372 P HA -0.133 nan 4.420 nan 0.000 0.225 372 P C 0.707 177.999 177.300 -0.012 0.000 1.141 372 P CA 1.418 64.512 63.100 -0.010 0.000 0.774 372 P CB 0.342 32.034 31.700 -0.012 0.000 0.760 373 E N -1.495 118.699 120.200 -0.011 0.000 2.465 373 E HA 0.078 4.428 4.350 0.001 0.000 0.195 373 E C 1.620 178.214 176.600 -0.011 0.000 1.028 373 E CA 0.040 56.433 56.400 -0.013 0.000 0.899 373 E CB -0.891 28.802 29.700 -0.012 0.000 1.032 373 E HN -0.122 nan 8.360 nan 0.000 0.468 374 S N -0.556 115.139 115.700 -0.008 0.000 2.481 374 S HA 0.131 4.601 4.470 0.001 0.000 0.231 374 S C 0.648 175.244 174.600 -0.007 0.000 0.996 374 S CA 0.241 58.438 58.200 -0.005 0.000 0.942 374 S CB 0.009 63.209 63.200 0.000 0.000 0.768 374 S HN 0.273 nan 8.310 nan 0.000 0.520 375 I N 2.108 122.671 120.570 -0.012 0.000 2.418 375 I HA 0.248 4.418 4.170 0.001 0.000 0.287 375 I C 0.055 176.158 176.117 -0.024 0.000 1.008 375 I CA -0.713 60.577 61.300 -0.018 0.000 1.104 375 I CB 2.103 40.090 38.000 -0.021 0.000 1.264 375 I HN 0.167 nan 8.210 nan 0.000 0.438 376 S N 3.808 119.492 115.700 -0.026 0.000 2.579 376 S HA 0.073 4.544 4.470 0.001 0.000 0.275 376 S C 0.996 175.572 174.600 -0.040 0.000 1.345 376 S CA -0.395 57.786 58.200 -0.031 0.000 1.031 376 S CB 1.530 64.712 63.200 -0.030 0.000 0.892 376 S HN 0.810 nan 8.310 nan 0.000 0.529 377 E N 1.859 122.035 120.200 -0.040 0.000 2.110 377 E HA -0.204 4.147 4.350 0.001 0.000 0.193 377 E C 1.616 178.182 176.600 -0.057 0.000 0.988 377 E CA 1.238 57.610 56.400 -0.048 0.000 0.804 377 E CB -0.129 29.545 29.700 -0.042 0.000 0.745 377 E HN 0.761 nan 8.360 nan 0.000 0.458 378 K N 0.485 120.851 120.400 -0.055 0.000 2.032 378 K HA -0.177 4.144 4.320 0.001 0.000 0.209 378 K C 2.193 178.746 176.600 -0.079 0.000 1.048 378 K CA 1.706 57.952 56.287 -0.069 0.000 0.927 378 K CB -0.144 32.315 32.500 -0.067 0.000 0.712 378 K HN 0.199 nan 8.250 nan 0.000 0.441 379 E N 0.795 120.954 120.200 -0.068 0.000 2.085 379 E HA -0.229 4.122 4.350 0.001 0.000 0.194 379 E C 2.065 178.617 176.600 -0.080 0.000 0.994 379 E CA 1.052 57.411 56.400 -0.068 0.000 0.801 379 E CB -0.133 29.536 29.700 -0.051 0.000 0.743 379 E HN 0.125 nan 8.360 nan 0.000 0.453 380 L N 1.709 122.886 121.223 -0.077 0.000 1.961 380 L HA -0.171 4.169 4.340 0.001 0.000 0.210 380 L C 1.937 178.745 176.870 -0.103 0.000 1.072 380 L CA 1.901 56.687 54.840 -0.089 0.000 0.749 380 L CB -0.261 41.750 42.059 -0.079 0.000 0.889 380 L HN -0.135 nan 8.230 nan 0.000 0.432 381 K N -0.852 119.491 120.400 -0.094 0.000 2.360 381 K HA -0.192 4.128 4.320 0.001 0.000 0.201 381 K C 1.866 178.404 176.600 -0.103 0.000 1.046 381 K CA 1.370 57.599 56.287 -0.098 0.000 0.940 381 K CB -0.267 32.183 32.500 -0.083 0.000 0.748 381 K HN 0.281 nan 8.250 nan 0.000 0.465 382 L N 0.579 121.739 121.223 -0.104 0.000 2.121 382 L HA -0.034 4.306 4.340 0.001 0.000 0.200 382 L C 1.975 178.779 176.870 -0.110 0.000 1.077 382 L CA 1.037 55.813 54.840 -0.107 0.000 0.766 382 L CB -0.611 41.379 42.059 -0.115 0.000 0.931 382 L HN 0.043 nan 8.230 nan 0.000 0.452 383 L N -0.338 120.817 121.223 -0.113 0.000 2.089 383 L HA -0.273 4.067 4.340 0.001 0.000 0.213 383 L C 2.331 179.109 176.870 -0.153 0.000 1.079 383 L CA 2.255 57.020 54.840 -0.125 0.000 0.758 383 L CB -1.101 40.877 42.059 -0.135 0.000 0.891 383 L HN 0.431 nan 8.230 nan 0.000 0.433 384 C N -1.013 118.189 119.300 -0.163 0.000 2.473 384 C HA -0.082 4.378 4.460 0.001 0.000 0.279 384 C C 2.861 177.736 174.990 -0.192 0.000 1.250 384 C CA 1.047 59.945 59.018 -0.200 0.000 1.713 384 C CB -1.046 26.568 27.740 -0.211 0.000 2.066 384 C HN 0.688 nan 8.230 nan 0.000 0.474 385 S N 1.385 116.995 115.700 -0.150 0.000 2.380 385 S HA -0.165 4.306 4.470 0.001 0.000 0.229 385 S C 1.266 175.770 174.600 -0.160 0.000 1.043 385 S CA 1.404 59.528 58.200 -0.126 0.000 1.038 385 S CB -0.447 62.709 63.200 -0.074 0.000 0.872 385 S HN 0.626 nan 8.310 nan 0.000 0.456 386 N N 1.130 119.745 118.700 -0.142 0.000 2.276 386 N HA 0.123 4.864 4.740 0.001 0.000 0.212 386 N C 1.440 176.793 175.510 -0.262 0.000 1.127 386 N CA 0.486 53.455 53.050 -0.134 0.000 0.834 386 N CB 0.224 38.709 38.487 -0.002 0.000 1.014 386 N HN 0.497 nan 8.380 nan 0.000 0.491 387 S N 1.336 116.857 115.700 -0.299 0.000 2.380 387 S HA -0.246 4.224 4.470 0.001 0.000 0.229 387 S C 2.035 176.441 174.600 -0.323 0.000 1.050 387 S CA 1.353 59.391 58.200 -0.270 0.000 1.100 387 S CB -0.474 62.578 63.200 -0.247 0.000 0.984 387 S HN 0.297 nan 8.310 nan 0.000 0.434 388 A N 0.130 122.637 122.820 -0.523 0.000 2.248 388 A HA 0.340 4.661 4.320 0.001 0.000 0.210 388 A C 1.318 178.701 177.584 -0.335 0.000 1.174 388 A CA 0.469 52.204 52.037 -0.502 0.000 0.750 388 A CB -0.843 17.805 19.000 -0.587 0.000 0.780 388 A HN 0.699 nan 8.150 nan 0.000 0.478 389 F N -0.881 119.026 119.950 -0.072 0.000 2.683 389 F HA 0.339 4.866 4.527 0.001 0.000 0.306 389 F C 0.299 176.055 175.800 -0.073 0.000 1.102 389 F CA -0.806 57.154 58.000 -0.067 0.000 1.244 389 F CB 0.179 39.134 39.000 -0.075 0.000 1.029 389 F HN -0.066 nan 8.300 nan 0.000 0.545 390 L N 2.267 123.516 121.223 0.044 0.000 2.506 390 L HA 0.215 4.555 4.340 0.001 0.000 0.281 390 L C 0.193 177.076 176.870 0.020 0.000 1.228 390 L CA 0.548 55.407 54.840 0.032 0.000 0.850 390 L CB 0.357 42.426 42.059 0.016 0.000 1.110 390 L HN 0.220 nan 8.230 nan 0.000 0.496 391 R N 1.935 122.418 120.500 -0.027 0.000 2.561 391 R HA 0.575 4.916 4.340 0.001 0.000 0.266 391 R C -1.761 174.444 176.300 -0.159 0.000 1.091 391 R CA -0.717 55.353 56.100 -0.051 0.000 0.927 391 R CB 2.231 32.520 30.300 -0.018 0.000 1.240 391 R HN 0.279 nan 8.270 nan 0.000 0.449 392 V N 2.576 122.421 119.914 -0.116 0.000 2.680 392 V HA 0.550 4.670 4.120 0.001 0.000 0.309 392 V C -0.469 175.603 176.094 -0.035 0.000 1.052 392 V CA -0.825 61.376 62.300 -0.164 0.000 0.908 392 V CB 2.392 34.148 31.823 -0.113 0.000 1.001 392 V HN 0.454 nan 8.190 nan 0.000 0.431 393 V N 4.951 124.852 119.914 -0.020 0.000 2.483 393 V HA 0.577 4.698 4.120 0.001 0.000 0.297 393 V C -0.281 175.844 176.094 0.052 0.000 1.027 393 V CA -0.742 61.578 62.300 0.034 0.000 0.855 393 V CB 1.893 33.740 31.823 0.040 0.000 0.995 393 V HN 0.832 nan 8.190 nan 0.000 0.424 394 R N 2.851 123.392 120.500 0.069 0.000 2.494 394 R HA 0.679 5.020 4.340 0.001 0.000 0.305 394 R C -1.298 175.061 176.300 0.099 0.000 0.959 394 R CA -0.480 55.674 56.100 0.089 0.000 0.864 394 R CB 1.923 32.291 30.300 0.114 0.000 1.159 394 R HN 0.672 nan 8.270 nan 0.000 0.446 395 C N 2.175 121.549 119.300 0.124 0.000 2.376 395 C HA 0.436 4.896 4.460 0.001 0.000 0.335 395 C C 0.603 175.741 174.990 0.247 0.000 1.229 395 C CA -0.984 58.123 59.018 0.149 0.000 1.867 395 C CB 0.905 28.714 27.740 0.115 0.000 2.319 395 C HN 0.718 nan 8.230 nan 0.000 0.515 396 R N 1.874 122.476 120.500 0.170 0.000 2.442 396 R HA 0.300 4.640 4.340 0.001 0.000 0.291 396 R C 0.752 177.079 176.300 0.045 0.000 1.069 396 R CA 0.126 56.297 56.100 0.119 0.000 1.022 396 R CB 0.585 30.931 30.300 0.078 0.000 0.976 396 R HN 0.965 nan 8.270 nan 0.000 0.443 397 S N 2.465 118.001 115.700 -0.274 0.000 2.560 397 S HA -0.093 4.378 4.470 0.001 0.000 0.276 397 S C 1.201 175.637 174.600 -0.274 0.000 1.350 397 S CA -0.623 57.126 58.200 -0.751 0.000 1.024 397 S CB 0.553 62.784 63.200 -1.616 0.000 0.864 397 S HN 0.596 nan 8.310 nan 0.000 0.536 398 L N 2.516 123.621 121.223 -0.197 0.000 2.017 398 L HA 0.061 4.402 4.340 0.001 0.000 0.208 398 L C 2.703 179.533 176.870 -0.067 0.000 1.073 398 L CA 2.391 57.187 54.840 -0.074 0.000 0.745 398 L CB -1.811 40.182 42.059 -0.110 0.000 0.894 398 L HN 0.975 nan 8.230 nan 0.000 0.432 399 A N -0.567 122.151 122.820 -0.171 0.000 1.903 399 A HA -0.312 4.008 4.320 0.001 0.000 0.219 399 A C 2.142 179.725 177.584 -0.002 0.000 1.191 399 A CA 2.215 54.195 52.037 -0.095 0.000 0.638 399 A CB -0.815 18.077 19.000 -0.181 0.000 0.823 399 A HN 0.652 nan 8.150 nan 0.000 0.451 400 E N -0.978 119.178 120.200 -0.074 0.000 2.160 400 E HA -0.224 4.127 4.350 0.001 0.000 0.195 400 E C 2.030 178.686 176.600 0.093 0.000 0.991 400 E CA 1.194 57.588 56.400 -0.010 0.000 0.810 400 E CB -0.127 29.541 29.700 -0.054 0.000 0.742 400 E HN 0.836 nan 8.360 nan 0.000 0.466 401 E N -0.243 120.052 120.200 0.159 0.000 2.285 401 E HA -0.133 4.217 4.350 0.001 0.000 0.194 401 E C 0.830 177.632 176.600 0.338 0.000 0.997 401 E CA 0.591 57.134 56.400 0.239 0.000 0.845 401 E CB 0.219 30.092 29.700 0.289 0.000 0.782 401 E HN 0.289 nan 8.360 nan 0.000 0.491 402 Y N -0.326 120.063 120.300 0.149 0.000 2.458 402 Y HA 0.295 4.845 4.550 0.001 0.000 0.256 402 Y C 1.002 177.036 175.900 0.223 0.000 1.159 402 Y CA 0.191 58.433 58.100 0.237 0.000 1.261 402 Y CB 0.653 39.207 38.460 0.157 0.000 1.119 402 Y HN -0.055 nan 8.280 nan 0.000 0.524 403 G N -0.011 108.932 108.800 0.239 0.000 2.442 403 G HA2 0.197 4.158 3.960 0.001 0.000 0.249 403 G HA3 0.197 4.158 3.960 0.001 0.000 0.249 403 G C 0.923 175.836 174.900 0.020 0.000 1.263 403 G CA -0.365 44.793 45.100 0.096 0.000 0.846 403 G HN 0.347 nan 8.290 nan 0.000 0.555 404 L N 0.730 121.880 121.223 -0.122 0.000 2.109 404 L HA -0.034 4.306 4.340 0.001 0.000 0.207 404 L C 2.352 179.132 176.870 -0.150 0.000 1.086 404 L CA 1.139 55.808 54.840 -0.286 0.000 0.760 404 L CB 0.040 41.920 42.059 -0.298 0.000 0.910 404 L HN 0.587 nan 8.230 nan 0.000 0.437 405 D N -1.199 119.155 120.400 -0.077 0.000 2.271 405 D HA -0.090 4.550 4.640 0.001 0.000 0.206 405 D C 1.783 178.077 176.300 -0.009 0.000 0.967 405 D CA 1.477 55.451 54.000 -0.043 0.000 0.867 405 D CB 0.410 41.189 40.800 -0.035 0.000 0.960 405 D HN 0.323 nan 8.370 nan 0.000 0.509 406 T N -0.514 114.046 114.554 0.009 0.000 3.067 406 T HA 0.094 4.444 4.350 0.001 0.000 0.257 406 T C 1.397 176.135 174.700 0.064 0.000 1.105 406 T CA -0.486 61.633 62.100 0.033 0.000 1.104 406 T CB 0.392 69.278 68.868 0.030 0.000 0.925 406 T HN 0.014 nan 8.240 nan 0.000 0.498 407 I N 4.404 125.035 120.570 0.102 0.000 2.978 407 I HA -0.069 4.101 4.170 0.001 0.000 0.293 407 I C 0.406 176.572 176.117 0.083 0.000 1.218 407 I CA 0.243 61.631 61.300 0.147 0.000 1.393 407 I CB -0.441 37.749 38.000 0.317 0.000 1.394 407 I HN 0.200 nan 8.210 nan 0.000 0.541 408 N N 8.181 126.916 118.700 0.058 0.000 2.874 408 N HA -0.103 4.638 4.740 0.001 0.000 0.316 408 N C 1.155 176.674 175.510 0.016 0.000 1.205 408 N CA 0.147 53.218 53.050 0.035 0.000 1.180 408 N CB 0.170 38.677 38.487 0.034 0.000 1.450 408 N HN 0.647 nan 8.380 nan 0.000 0.528 409 K N -0.438 119.975 120.400 0.022 0.000 2.525 409 K HA -0.012 4.309 4.320 0.001 0.000 0.192 409 K C 0.823 177.421 176.600 -0.002 0.000 1.029 409 K CA 0.163 56.452 56.287 0.003 0.000 1.029 409 K CB 0.491 32.998 32.500 0.011 0.000 0.814 409 K HN 0.120 nan 8.250 nan 0.000 0.503 410 D N 2.101 122.506 120.400 0.009 0.000 2.091 410 D HA -0.158 4.483 4.640 0.001 0.000 0.199 410 D C 1.792 178.101 176.300 0.015 0.000 0.980 410 D CA 1.146 55.153 54.000 0.013 0.000 0.831 410 D CB 0.248 41.060 40.800 0.021 0.000 0.987 410 D HN 0.350 nan 8.370 nan 0.000 0.460 411 E N 0.835 121.048 120.200 0.022 0.000 2.110 411 E HA -0.132 4.219 4.350 0.001 0.000 0.193 411 E C 2.287 178.893 176.600 0.011 0.000 0.988 411 E CA 0.857 57.281 56.400 0.039 0.000 0.804 411 E CB -0.352 29.383 29.700 0.059 0.000 0.745 411 E HN 0.331 nan 8.360 nan 0.000 0.458 412 I N 0.288 120.832 120.570 -0.044 0.000 2.099 412 I HA -0.294 3.877 4.170 0.001 0.000 0.239 412 I C 2.362 178.453 176.117 -0.043 0.000 1.066 412 I CA 1.364 62.613 61.300 -0.087 0.000 1.324 412 I CB -0.386 37.562 38.000 -0.087 0.000 1.037 412 I HN 0.190 nan 8.210 nan 0.000 0.401 413 I N -0.059 120.495 120.570 -0.026 0.000 2.179 413 I HA -0.305 3.865 4.170 0.001 0.000 0.242 413 I C 2.817 178.936 176.117 0.003 0.000 1.088 413 I CA 1.337 62.627 61.300 -0.015 0.000 1.357 413 I CB -0.468 37.524 38.000 -0.014 0.000 1.051 413 I HN 0.228 nan 8.210 nan 0.000 0.409 414 S N 0.391 116.100 115.700 0.016 0.000 2.380 414 S HA -0.225 4.245 4.470 0.001 0.000 0.229 414 S C 2.200 176.827 174.600 0.045 0.000 1.043 414 S CA 2.311 60.529 58.200 0.031 0.000 1.038 414 S CB -0.156 63.069 63.200 0.042 0.000 0.872 414 S HN 0.442 nan 8.310 nan 0.000 0.456 415 S N 1.211 116.948 115.700 0.061 0.000 2.362 415 S HA 0.118 4.588 4.470 0.001 0.000 0.221 415 S C 1.708 176.340 174.600 0.053 0.000 1.032 415 S CA 0.907 59.163 58.200 0.092 0.000 0.973 415 S CB -0.289 63.022 63.200 0.184 0.000 0.849 415 S HN 0.427 nan 8.310 nan 0.000 0.465 416 M N 2.210 121.821 119.600 0.018 0.000 2.703 416 M HA -0.063 4.417 4.480 0.001 0.000 0.253 416 M C 0.147 176.450 176.300 0.005 0.000 1.060 416 M CA 0.597 55.895 55.300 -0.004 0.000 1.059 416 M CB -1.346 31.238 32.600 -0.026 0.000 1.399 416 M HN 0.159 nan 8.290 nan 0.000 0.526 417 D N 0.788 121.199 120.400 0.017 0.000 2.346 417 D HA 0.025 4.666 4.640 0.001 0.000 0.248 417 D C 0.301 176.614 176.300 0.023 0.000 1.173 417 D CA 0.309 54.320 54.000 0.018 0.000 0.878 417 D CB -0.432 40.381 40.800 0.021 0.000 0.919 417 D HN 0.519 nan 8.370 nan 0.000 0.513 418 N N 0.275 118.990 118.700 0.024 0.000 2.747 418 N HA 0.077 4.818 4.740 0.001 0.000 0.262 418 N C -2.527 173.000 175.510 0.028 0.000 1.261 418 N CA -1.225 51.843 53.050 0.031 0.000 0.809 418 N CB 1.549 40.058 38.487 0.037 0.000 1.450 418 N HN -0.352 nan 8.380 nan 0.000 0.560 419 P HA -0.103 nan 4.420 nan 0.000 0.225 419 P C -0.411 176.924 177.300 0.059 0.000 1.141 419 P CA 1.111 64.231 63.100 0.034 0.000 0.774 419 P CB 0.125 31.869 31.700 0.074 0.000 0.760 420 D N -1.856 118.594 120.400 0.083 0.000 2.559 420 D HA 0.048 4.688 4.640 0.001 0.000 0.234 420 D C 0.081 176.426 176.300 0.075 0.000 1.226 420 D CA -0.022 54.059 54.000 0.135 0.000 0.830 420 D CB -0.268 40.614 40.800 0.138 0.000 1.028 420 D HN 0.171 nan 8.370 nan 0.000 0.492 421 N N 2.067 120.785 118.700 0.030 0.000 2.434 421 N HA -0.031 4.709 4.740 0.001 0.000 0.272 421 N C 1.326 176.876 175.510 0.066 0.000 1.040 421 N CA -0.105 52.980 53.050 0.059 0.000 0.956 421 N CB 1.369 39.903 38.487 0.078 0.000 1.108 421 N HN -0.100 nan 8.380 nan 0.000 0.481 422 E N 3.289 123.559 120.200 0.117 0.000 2.271 422 E HA -0.279 4.072 4.350 0.001 0.000 0.209 422 E C 1.526 178.231 176.600 0.174 0.000 1.046 422 E CA 1.038 57.528 56.400 0.150 0.000 0.840 422 E CB -0.439 29.358 29.700 0.161 0.000 0.738 422 E HN 0.664 nan 8.360 nan 0.000 0.470 423 I N 1.273 121.965 120.570 0.204 0.000 2.530 423 I HA -0.215 3.956 4.170 0.001 0.000 0.257 423 I C 2.159 178.213 176.117 -0.106 0.000 1.179 423 I CA 0.635 61.862 61.300 -0.121 0.000 1.440 423 I CB -0.083 37.748 38.000 -0.281 0.000 1.087 423 I HN -0.106 nan 8.210 nan 0.000 0.440 424 V N 0.755 120.581 119.914 -0.146 0.000 2.231 424 V HA -0.350 3.770 4.120 0.001 0.000 0.248 424 V C 2.518 178.450 176.094 -0.270 0.000 1.054 424 V CA 2.411 64.530 62.300 -0.302 0.000 1.015 424 V CB -0.953 30.480 31.823 -0.650 0.000 0.638 424 V HN 0.424 nan 8.190 nan 0.000 0.444 425 L N -1.178 119.961 121.223 -0.140 0.000 2.089 425 L HA -0.278 4.062 4.340 0.001 0.000 0.213 425 L C 2.500 179.338 176.870 -0.052 0.000 1.079 425 L CA 2.329 57.189 54.840 0.034 0.000 0.758 425 L CB -0.951 41.240 42.059 0.220 0.000 0.891 425 L HN 0.433 nan 8.230 nan 0.000 0.433 426 Y N 1.012 121.209 120.300 -0.173 0.000 2.070 426 Y HA -0.264 4.287 4.550 0.001 0.000 0.280 426 Y C 2.427 178.109 175.900 -0.364 0.000 1.148 426 Y CA 1.623 59.572 58.100 -0.250 0.000 1.125 426 Y CB -0.449 37.839 38.460 -0.286 0.000 0.975 426 Y HN -0.065 nan 8.280 nan 0.000 0.492 427 L N -0.729 120.309 121.223 -0.309 0.000 1.997 427 L HA -0.361 3.979 4.340 0.001 0.000 0.216 427 L C 2.596 179.078 176.870 -0.646 0.000 1.074 427 L CA 1.745 56.328 54.840 -0.428 0.000 0.763 427 L CB -0.777 41.206 42.059 -0.127 0.000 0.890 427 L HN 0.309 nan 8.230 nan 0.000 0.434 428 M N -0.487 118.752 119.600 -0.602 0.000 2.089 428 M HA -0.253 4.227 4.480 0.001 0.000 0.257 428 M C 2.387 178.211 176.300 -0.794 0.000 1.071 428 M CA 1.934 56.730 55.300 -0.839 0.000 1.096 428 M CB -1.197 30.526 32.600 -1.461 0.000 1.330 428 M HN 0.257 nan 8.290 nan 0.000 0.403 429 L N -0.768 120.057 121.223 -0.663 0.000 1.989 429 L HA -0.258 4.082 4.340 0.001 0.000 0.211 429 L C 2.729 179.207 176.870 -0.654 0.000 1.071 429 L CA 1.232 55.735 54.840 -0.562 0.000 0.749 429 L CB -0.758 40.965 42.059 -0.559 0.000 0.890 429 L HN 0.286 nan 8.230 nan 0.000 0.431 430 R N 0.242 120.188 120.500 -0.924 0.000 2.113 430 R HA -0.203 4.137 4.340 0.001 0.000 0.244 430 R C 2.241 178.031 176.300 -0.850 0.000 1.142 430 R CA 1.645 57.111 56.100 -1.055 0.000 0.953 430 R CB -1.190 28.037 30.300 -1.787 0.000 0.860 430 R HN 0.426 nan 8.270 nan 0.000 0.438 431 A N 0.989 123.326 122.820 -0.804 0.000 1.841 431 A HA -0.162 4.159 4.320 0.001 0.000 0.216 431 A C 2.572 180.011 177.584 -0.241 0.000 1.199 431 A CA 2.125 53.892 52.037 -0.452 0.000 0.621 431 A CB -0.985 17.788 19.000 -0.379 0.000 0.835 431 A HN 0.100 nan 8.150 nan 0.000 0.445 432 V N 0.747 120.501 119.914 -0.267 0.000 2.250 432 V HA -0.345 3.776 4.120 0.001 0.000 0.250 432 V C 2.336 178.442 176.094 0.018 0.000 1.060 432 V CA 2.560 64.796 62.300 -0.106 0.000 1.030 432 V CB -1.006 30.703 31.823 -0.191 0.000 0.643 432 V HN 0.545 nan 8.190 nan 0.000 0.445 433 D N -0.798 119.546 120.400 -0.094 0.000 2.133 433 D HA -0.201 4.440 4.640 0.001 0.000 0.195 433 D C 2.314 178.630 176.300 0.028 0.000 0.997 433 D CA 1.523 55.511 54.000 -0.020 0.000 0.840 433 D CB -0.253 40.481 40.800 -0.109 0.000 0.947 433 D HN 0.373 nan 8.370 nan 0.000 0.452 434 R N -0.411 120.070 120.500 -0.032 0.000 2.070 434 R HA -0.146 4.194 4.340 0.001 0.000 0.232 434 R C 2.438 178.774 176.300 0.061 0.000 1.138 434 R CA 1.069 57.177 56.100 0.013 0.000 0.936 434 R CB -0.770 29.525 30.300 -0.008 0.000 0.839 434 R HN 0.186 nan 8.270 nan 0.000 0.429 435 F N 1.383 121.290 119.950 -0.071 0.000 2.147 435 F HA -0.358 4.169 4.527 0.001 0.000 0.301 435 F C 2.525 178.265 175.800 -0.100 0.000 1.084 435 F CA 2.225 60.185 58.000 -0.066 0.000 1.268 435 F CB -0.312 38.660 39.000 -0.046 0.000 1.009 435 F HN 0.267 nan 8.300 nan 0.000 0.486 436 H N 0.491 119.599 119.070 0.063 0.000 2.284 436 H HA -0.146 4.411 4.556 0.001 0.000 0.304 436 H C 2.313 177.536 175.328 -0.175 0.000 1.069 436 H CA 1.886 57.823 56.048 -0.186 0.000 1.327 436 H CB -0.405 29.052 29.762 -0.509 0.000 1.387 436 H HN 0.171 nan 8.280 nan 0.000 0.498 437 K N 1.145 121.569 120.400 0.040 0.000 2.089 437 K HA -0.216 4.104 4.320 0.001 0.000 0.210 437 K C 2.486 178.996 176.600 -0.150 0.000 1.048 437 K CA 2.119 58.399 56.287 -0.010 0.000 0.926 437 K CB -0.609 31.926 32.500 0.059 0.000 0.714 437 K HN 0.487 nan 8.250 nan 0.000 0.448 438 Q N -0.813 118.888 119.800 -0.164 0.000 2.016 438 Q HA -0.168 4.172 4.340 0.001 0.000 0.200 438 Q C 1.979 177.797 176.000 -0.302 0.000 0.978 438 Q CA 1.488 57.165 55.803 -0.209 0.000 0.833 438 Q CB 0.023 28.634 28.738 -0.211 0.000 0.895 438 Q HN 0.368 nan 8.270 nan 0.000 0.427 439 Q N -1.483 118.046 119.800 -0.452 0.000 2.089 439 Q HA 0.056 4.397 4.340 0.001 0.000 0.195 439 Q C 1.371 177.166 176.000 -0.342 0.000 0.963 439 Q CA 1.452 56.980 55.803 -0.460 0.000 0.834 439 Q CB 0.537 28.838 28.738 -0.729 0.000 0.906 439 Q HN 0.635 nan 8.270 nan 0.000 0.452 440 G N 1.203 109.725 108.800 -0.463 0.000 2.192 440 G HA2 -0.199 3.761 3.960 0.001 0.000 0.193 440 G HA3 -0.199 3.761 3.960 0.001 0.000 0.193 440 G C 0.174 174.858 174.900 -0.359 0.000 0.999 440 G CA 0.165 45.003 45.100 -0.437 0.000 0.659 440 G HN 0.384 nan 8.290 nan 0.000 0.503 441 R N -1.452 118.887 120.500 -0.267 0.000 2.781 441 R HA 0.745 5.086 4.340 0.001 0.000 0.269 441 R C -0.933 175.434 176.300 0.111 0.000 1.025 441 R CA -1.144 54.959 56.100 0.006 0.000 0.914 441 R CB 0.775 31.138 30.300 0.106 0.000 1.236 441 R HN 0.072 nan 8.270 nan 0.000 0.465 442 Y N 0.035 120.553 120.300 0.363 0.000 2.374 442 Y HA 0.360 4.910 4.550 0.001 0.000 0.322 442 Y C -1.855 174.098 175.900 0.089 0.000 1.275 442 Y CA -2.478 55.812 58.100 0.317 0.000 1.307 442 Y CB 0.943 39.585 38.460 0.303 0.000 1.282 442 Y HN 0.433 nan 8.280 nan 0.000 0.509 443 P HA 0.026 nan 4.420 nan 0.000 0.254 443 P C 0.078 177.319 177.300 -0.098 0.000 1.186 443 P CA 1.196 64.002 63.100 -0.490 0.000 0.868 443 P CB -0.252 31.131 31.700 -0.529 0.000 0.856 444 G N 2.673 111.442 108.800 -0.051 0.000 2.351 444 G HA2 -0.260 3.701 3.960 0.001 0.000 0.297 444 G HA3 -0.260 3.701 3.960 0.001 0.000 0.297 444 G C 0.869 175.745 174.900 -0.039 0.000 1.054 444 G CA -0.010 45.060 45.100 -0.049 0.000 1.123 444 G HN 0.337 nan 8.290 nan 0.000 0.512 445 V N -0.029 119.881 119.914 -0.007 0.000 2.307 445 V HA -0.062 4.058 4.120 0.001 0.000 0.245 445 V C 2.077 178.137 176.094 -0.055 0.000 1.045 445 V CA 2.148 64.448 62.300 -0.001 0.000 1.024 445 V CB -0.515 31.343 31.823 0.059 0.000 0.651 445 V HN 0.608 nan 8.190 nan 0.000 0.449 446 S N 0.120 115.741 115.700 -0.131 0.000 2.617 446 S HA 0.173 4.644 4.470 0.001 0.000 0.269 446 S C 1.018 175.506 174.600 -0.187 0.000 1.292 446 S CA -0.356 57.741 58.200 -0.173 0.000 1.010 446 S CB 0.595 63.607 63.200 -0.314 0.000 0.944 446 S HN 0.463 nan 8.310 nan 0.000 0.536 447 N N -0.165 118.492 118.700 -0.070 0.000 2.520 447 N HA -0.116 4.624 4.740 0.001 0.000 0.185 447 N C 1.164 176.694 175.510 0.033 0.000 1.068 447 N CA 0.862 53.907 53.050 -0.009 0.000 0.911 447 N CB -0.068 38.444 38.487 0.042 0.000 0.961 447 N HN 0.771 nan 8.380 nan 0.000 0.446 448 Y N -0.474 119.844 120.300 0.030 0.000 2.479 448 Y HA 0.251 4.801 4.550 0.001 0.000 0.283 448 Y C 1.790 177.715 175.900 0.041 0.000 1.109 448 Y CA -0.067 58.051 58.100 0.030 0.000 1.239 448 Y CB -0.427 38.050 38.460 0.028 0.000 1.108 448 Y HN -0.104 nan 8.280 nan 0.000 0.548 449 Q N 1.173 120.622 119.800 -0.586 0.000 2.368 449 Q HA -0.104 4.236 4.340 0.001 0.000 0.210 449 Q C 2.080 178.046 176.000 -0.058 0.000 0.982 449 Q CA 1.457 57.077 55.803 -0.305 0.000 0.884 449 Q CB -0.296 28.212 28.738 -0.384 0.000 0.933 449 Q HN 0.497 nan 8.270 nan 0.000 0.460 450 V N 1.277 121.165 119.914 -0.043 0.000 2.217 450 V HA -0.360 3.761 4.120 0.001 0.000 0.248 450 V C 2.170 178.293 176.094 0.049 0.000 1.050 450 V CA 2.298 64.601 62.300 0.005 0.000 1.007 450 V CB -0.900 30.930 31.823 0.012 0.000 0.639 450 V HN 0.373 nan 8.190 nan 0.000 0.452 451 E N 0.482 120.724 120.200 0.070 0.000 2.063 451 E HA -0.334 4.017 4.350 0.001 0.000 0.221 451 E C 2.227 178.881 176.600 0.090 0.000 1.052 451 E CA 2.492 58.942 56.400 0.085 0.000 0.891 451 E CB -0.611 29.141 29.700 0.086 0.000 0.792 451 E HN 0.629 nan 8.360 nan 0.000 0.482 452 E N -0.273 119.990 120.200 0.104 0.000 2.055 452 E HA -0.318 4.032 4.350 0.001 0.000 0.209 452 E C 1.831 178.501 176.600 0.116 0.000 1.036 452 E CA 2.165 58.632 56.400 0.111 0.000 0.849 452 E CB -0.324 29.461 29.700 0.142 0.000 0.767 452 E HN 0.370 nan 8.360 nan 0.000 0.461 453 D N 0.008 120.483 120.400 0.126 0.000 2.149 453 D HA -0.152 4.488 4.640 0.001 0.000 0.198 453 D C 1.938 178.299 176.300 0.102 0.000 0.990 453 D CA 1.104 55.205 54.000 0.168 0.000 0.839 453 D CB -0.197 40.668 40.800 0.108 0.000 0.948 453 D HN 0.323 nan 8.370 nan 0.000 0.460 454 I N 0.667 121.267 120.570 0.051 0.000 2.145 454 I HA -0.277 3.893 4.170 0.001 0.000 0.244 454 I C 2.505 178.621 176.117 -0.002 0.000 1.075 454 I CA 1.635 62.937 61.300 0.004 0.000 1.332 454 I CB -0.676 37.349 38.000 0.041 0.000 1.033 454 I HN 0.084 nan 8.210 nan 0.000 0.410 455 G N 0.720 109.543 108.800 0.038 0.000 2.414 455 G HA2 -0.202 3.758 3.960 0.001 0.000 0.215 455 G HA3 -0.202 3.758 3.960 0.001 0.000 0.215 455 G C 1.686 176.627 174.900 0.069 0.000 1.188 455 G CA 0.516 45.636 45.100 0.035 0.000 0.783 455 G HN 0.310 nan 8.290 nan 0.000 0.537 456 K N -0.313 120.162 120.400 0.125 0.000 2.089 456 K HA -0.127 4.193 4.320 0.001 0.000 0.210 456 K C 2.378 179.147 176.600 0.281 0.000 1.048 456 K CA 1.262 57.658 56.287 0.182 0.000 0.926 456 K CB -0.346 32.306 32.500 0.253 0.000 0.714 456 K HN 0.280 nan 8.250 nan 0.000 0.448 457 L N 1.845 123.247 121.223 0.299 0.000 1.976 457 L HA -0.196 4.145 4.340 0.001 0.000 0.209 457 L C 2.298 179.223 176.870 0.092 0.000 1.071 457 L CA 1.870 56.839 54.840 0.215 0.000 0.746 457 L CB -0.468 41.535 42.059 -0.093 0.000 0.890 457 L HN 0.021 nan 8.230 nan 0.000 0.432 458 K N -0.888 119.522 120.400 0.018 0.000 2.113 458 K HA -0.190 4.130 4.320 0.001 0.000 0.208 458 K C 1.989 178.600 176.600 0.018 0.000 1.047 458 K CA 1.740 58.020 56.287 -0.012 0.000 0.928 458 K CB -0.203 32.274 32.500 -0.039 0.000 0.716 458 K HN 0.417 nan 8.250 nan 0.000 0.446 459 S N -0.121 115.603 115.700 0.039 0.000 2.440 459 S HA -0.152 4.319 4.470 0.001 0.000 0.238 459 S C 1.810 176.436 174.600 0.043 0.000 1.010 459 S CA 1.157 59.377 58.200 0.033 0.000 0.972 459 S CB -0.239 62.979 63.200 0.030 0.000 0.774 459 S HN 0.461 nan 8.310 nan 0.000 0.501 460 C N 0.071 119.414 119.300 0.071 0.000 2.558 460 C HA 0.291 4.751 4.460 0.001 0.000 0.288 460 C C 2.354 177.392 174.990 0.080 0.000 1.338 460 C CA -0.381 58.684 59.018 0.079 0.000 1.760 460 C CB -1.136 26.679 27.740 0.124 0.000 2.159 460 C HN 0.562 nan 8.230 nan 0.000 0.518 461 L N 1.617 122.865 121.223 0.042 0.000 2.012 461 L HA -0.132 4.208 4.340 0.001 0.000 0.210 461 L C 2.383 179.318 176.870 0.107 0.000 1.073 461 L CA 2.353 57.216 54.840 0.038 0.000 0.748 461 L CB -1.278 40.761 42.059 -0.035 0.000 0.891 461 L HN 0.253 nan 8.230 nan 0.000 0.431 462 T N -0.241 114.342 114.554 0.049 0.000 2.643 462 T HA -0.101 4.250 4.350 0.001 0.000 0.264 462 T C 1.734 176.454 174.700 0.033 0.000 1.045 462 T CA 1.439 63.553 62.100 0.024 0.000 1.155 462 T CB -1.137 67.734 68.868 0.006 0.000 0.863 462 T HN 0.606 nan 8.240 nan 0.000 0.420 463 G N 1.181 110.011 108.800 0.050 0.000 2.547 463 G HA2 -0.306 3.654 3.960 0.001 0.000 0.221 463 G HA3 -0.306 3.654 3.960 0.001 0.000 0.221 463 G C 1.373 176.326 174.900 0.088 0.000 1.140 463 G CA 1.289 46.421 45.100 0.053 0.000 0.760 463 G HN 0.492 nan 8.290 nan 0.000 0.583 464 F N 1.327 121.264 119.950 -0.022 0.000 2.051 464 F HA 0.030 4.558 4.527 0.001 0.000 0.296 464 F C 2.494 178.296 175.800 0.003 0.000 1.122 464 F CA 1.385 59.371 58.000 -0.023 0.000 1.201 464 F CB -0.637 38.293 39.000 -0.117 0.000 0.978 464 F HN 0.059 nan 8.300 nan 0.000 0.472 465 L N 0.074 121.065 121.223 -0.387 0.000 2.197 465 L HA -0.280 4.061 4.340 0.001 0.000 0.215 465 L C 2.502 179.206 176.870 -0.277 0.000 1.095 465 L CA 1.584 56.141 54.840 -0.471 0.000 0.764 465 L CB -0.785 41.166 42.059 -0.180 0.000 0.897 465 L HN 0.414 nan 8.230 nan 0.000 0.436 466 Q N -0.556 119.152 119.800 -0.153 0.000 2.089 466 Q HA -0.200 4.141 4.340 0.001 0.000 0.195 466 Q C 2.073 178.020 176.000 -0.088 0.000 0.963 466 Q CA 0.948 56.694 55.803 -0.096 0.000 0.834 466 Q CB -0.022 28.683 28.738 -0.055 0.000 0.906 466 Q HN 0.440 nan 8.270 nan 0.000 0.452 467 E N -0.017 120.147 120.200 -0.060 0.000 2.208 467 E HA -0.239 4.111 4.350 0.001 0.000 0.202 467 E C 0.977 177.485 176.600 -0.152 0.000 1.014 467 E CA 1.341 57.705 56.400 -0.060 0.000 0.819 467 E CB 0.068 29.791 29.700 0.038 0.000 0.735 467 E HN 0.369 nan 8.360 nan 0.000 0.469 468 Y N -1.124 119.005 120.300 -0.285 0.000 2.458 468 Y HA 0.285 4.835 4.550 0.001 0.000 0.254 468 Y C 1.096 176.871 175.900 -0.208 0.000 1.120 468 Y CA 0.522 58.467 58.100 -0.259 0.000 1.282 468 Y CB 1.154 39.388 38.460 -0.377 0.000 1.109 468 Y HN 0.122 nan 8.280 nan 0.000 0.526 469 G N 1.501 110.256 108.800 -0.074 0.000 2.417 469 G HA2 -0.253 3.707 3.960 0.001 0.000 0.291 469 G HA3 -0.253 3.707 3.960 0.001 0.000 0.291 469 G C -0.689 174.166 174.900 -0.075 0.000 1.094 469 G CA -0.191 44.864 45.100 -0.074 0.000 1.146 469 G HN 0.256 nan 8.290 nan 0.000 0.519 470 L N 1.477 122.631 121.223 -0.116 0.000 2.318 470 L HA 0.483 4.823 4.340 0.001 0.000 0.277 470 L C 0.878 177.695 176.870 -0.089 0.000 1.008 470 L CA -0.539 54.234 54.840 -0.111 0.000 0.846 470 L CB 1.883 43.836 42.059 -0.176 0.000 1.220 470 L HN 0.437 nan 8.230 nan 0.000 0.423 471 S N 2.710 118.374 115.700 -0.060 0.000 3.483 471 S HA 0.470 4.940 4.470 0.001 0.000 0.274 471 S C -0.138 174.438 174.600 -0.040 0.000 1.289 471 S CA -0.695 57.478 58.200 -0.046 0.000 0.938 471 S CB -0.169 63.011 63.200 -0.034 0.000 1.453 471 S HN 0.357 nan 8.310 nan 0.000 0.494 472 V N 0.158 120.045 119.914 -0.045 0.000 2.962 472 V HA 0.662 4.782 4.120 0.001 0.000 0.313 472 V C -0.309 175.765 176.094 -0.033 0.000 1.099 472 V CA -1.259 61.018 62.300 -0.038 0.000 0.971 472 V CB 2.056 33.851 31.823 -0.046 0.000 1.028 472 V HN 0.668 nan 8.190 nan 0.000 0.430 473 M N 3.664 123.249 119.600 -0.025 0.000 2.088 473 M HA 0.533 5.013 4.480 0.001 0.000 0.346 473 M C -1.401 174.888 176.300 -0.019 0.000 1.111 473 M CA -0.322 54.969 55.300 -0.015 0.000 1.017 473 M CB 1.079 33.677 32.600 -0.002 0.000 1.568 473 M HN 0.686 nan 8.290 nan 0.000 0.445 474 V N 7.019 126.921 119.914 -0.020 0.000 2.294 474 V HA 0.255 4.375 4.120 0.001 0.000 0.272 474 V C 0.346 176.473 176.094 0.054 0.000 1.027 474 V CA -0.861 61.426 62.300 -0.023 0.000 0.823 474 V CB 0.673 32.458 31.823 -0.062 0.000 1.030 474 V HN 0.767 nan 8.190 nan 0.000 0.457 475 K N 3.059 123.542 120.400 0.139 0.000 2.548 475 K HA -0.116 4.205 4.320 0.001 0.000 0.277 475 K C 0.653 177.333 176.600 0.133 0.000 1.001 475 K CA 0.125 56.511 56.287 0.164 0.000 1.102 475 K CB 0.470 33.116 32.500 0.244 0.000 0.848 475 K HN 0.550 nan 8.250 nan 0.000 0.487 476 D N 2.626 123.056 120.400 0.049 0.000 2.221 476 D HA -0.166 4.474 4.640 0.001 0.000 0.204 476 D C 1.006 177.286 176.300 -0.033 0.000 0.982 476 D CA 1.164 55.151 54.000 -0.022 0.000 0.857 476 D CB 0.030 40.809 40.800 -0.035 0.000 0.934 476 D HN 0.494 nan 8.370 nan 0.000 0.475 477 D N 0.036 120.453 120.400 0.030 0.000 2.133 477 D HA -0.211 4.430 4.640 0.001 0.000 0.192 477 D C 1.897 178.148 176.300 -0.082 0.000 1.001 477 D CA 0.974 54.970 54.000 -0.006 0.000 0.844 477 D CB -0.582 40.127 40.800 -0.152 0.000 0.944 477 D HN 0.402 nan 8.370 nan 0.000 0.447 478 Y N 0.811 121.111 120.300 0.001 0.000 2.465 478 Y HA -0.137 4.414 4.550 0.001 0.000 0.289 478 Y C 2.410 178.281 175.900 -0.048 0.000 1.150 478 Y CA 0.229 58.332 58.100 0.005 0.000 1.293 478 Y CB -0.192 38.241 38.460 -0.045 0.000 0.977 478 Y HN -0.116 nan 8.280 nan 0.000 0.556 479 V N -1.327 118.584 119.914 -0.004 0.000 2.446 479 V HA -0.213 3.907 4.120 0.001 0.000 0.244 479 V C 2.143 178.185 176.094 -0.088 0.000 1.039 479 V CA 1.504 63.741 62.300 -0.104 0.000 1.045 479 V CB -0.598 31.108 31.823 -0.195 0.000 0.681 479 V HN 0.397 nan 8.190 nan 0.000 0.459 480 H N 0.368 119.415 119.070 -0.038 0.000 2.290 480 H HA -0.168 4.389 4.556 0.001 0.000 0.298 480 H C 2.381 177.641 175.328 -0.114 0.000 1.087 480 H CA 2.191 58.199 56.048 -0.066 0.000 1.291 480 H CB -0.154 29.564 29.762 -0.074 0.000 1.369 480 H HN 0.426 nan 8.280 nan 0.000 0.492 481 E N 0.655 120.847 120.200 -0.015 0.000 2.045 481 E HA -0.207 4.143 4.350 0.001 0.000 0.212 481 E C 2.168 178.442 176.600 -0.543 0.000 1.039 481 E CA 1.449 57.683 56.400 -0.278 0.000 0.860 481 E CB -0.688 28.855 29.700 -0.262 0.000 0.776 481 E HN 0.227 nan 8.360 nan 0.000 0.467 482 F N -0.003 119.622 119.950 -0.541 0.000 2.192 482 F HA -0.257 4.270 4.527 0.001 0.000 0.301 482 F C 2.656 178.358 175.800 -0.164 0.000 1.079 482 F CA 1.174 58.952 58.000 -0.371 0.000 1.303 482 F CB -0.678 38.278 39.000 -0.073 0.000 1.024 482 F HN 0.214 nan 8.300 nan 0.000 0.494 483 C N -0.838 118.462 119.300 0.000 0.000 2.435 483 C HA -0.108 4.353 4.460 0.001 0.000 0.279 483 C C 2.899 177.863 174.990 -0.044 0.000 1.321 483 C CA 0.611 59.614 59.018 -0.025 0.000 1.752 483 C CB -1.049 26.675 27.740 -0.026 0.000 1.959 483 C HN 0.417 nan 8.230 nan 0.000 0.500 484 R N -0.171 120.271 120.500 -0.096 0.000 2.066 484 R HA -0.117 4.224 4.340 0.001 0.000 0.232 484 R C 2.114 178.411 176.300 -0.004 0.000 1.131 484 R CA 1.637 57.695 56.100 -0.070 0.000 0.955 484 R CB -0.597 29.641 30.300 -0.104 0.000 0.851 484 R HN 0.652 nan 8.270 nan 0.000 0.432 485 Y N -0.036 120.171 120.300 -0.155 0.000 2.228 485 Y HA -0.202 4.348 4.550 0.001 0.000 0.285 485 Y C 1.609 177.328 175.900 -0.302 0.000 1.178 485 Y CA 0.146 58.077 58.100 -0.283 0.000 1.202 485 Y CB -0.333 37.854 38.460 -0.454 0.000 0.974 485 Y HN 0.511 nan 8.280 nan 0.000 0.527 486 G N 0.449 109.215 108.800 -0.056 0.000 2.356 486 G HA2 -0.180 3.780 3.960 0.001 0.000 0.296 486 G HA3 -0.180 3.780 3.960 0.001 0.000 0.296 486 G C 0.627 175.404 174.900 -0.204 0.000 1.022 486 G CA 0.299 45.350 45.100 -0.082 0.000 0.961 486 G HN 1.162 nan 8.290 nan 0.000 0.510 487 A N -3.042 119.471 122.820 -0.511 0.000 2.798 487 A HA 0.150 4.470 4.320 0.001 0.000 0.282 487 A C 1.617 178.861 177.584 -0.567 0.000 1.464 487 A CA 1.910 53.425 52.037 -0.871 0.000 0.844 487 A CB -1.621 17.164 19.000 -0.357 0.000 1.006 487 A HN 2.596 nan 8.150 nan 0.000 0.577 488 A N -0.214 122.324 122.820 -0.470 0.000 2.388 488 A HA 0.515 4.835 4.320 0.001 0.000 0.257 488 A C 0.538 177.933 177.584 -0.314 0.000 1.095 488 A CA 0.582 52.439 52.037 -0.299 0.000 0.791 488 A CB 0.211 19.077 19.000 -0.222 0.000 1.029 488 A HN 0.948 nan 8.150 nan 0.000 0.489 489 E N 3.172 123.257 120.200 -0.192 0.000 2.373 489 E HA 0.323 4.674 4.350 0.001 0.000 0.233 489 E C -2.491 174.055 176.600 -0.091 0.000 1.035 489 E CA -1.875 54.441 56.400 -0.140 0.000 0.930 489 E CB 0.095 29.747 29.700 -0.081 0.000 1.278 489 E HN 0.399 nan 8.360 nan 0.000 0.452 490 P HA -0.036 nan 4.420 nan 0.000 0.265 490 P C -0.079 177.218 177.300 -0.004 0.000 1.193 490 P CA 0.225 63.287 63.100 -0.064 0.000 0.765 490 P CB 0.705 32.334 31.700 -0.118 0.000 0.823 491 H N 2.545 121.596 119.070 -0.032 0.000 2.293 491 H HA -0.153 4.404 4.556 0.001 0.000 0.300 491 H C 1.714 177.048 175.328 0.010 0.000 1.082 491 H CA 2.800 58.845 56.048 -0.005 0.000 1.308 491 H CB -0.429 29.331 29.762 -0.003 0.000 1.375 491 H HN 0.441 nan 8.280 nan 0.000 0.495 492 T N -1.112 113.500 114.554 0.096 0.000 2.869 492 T HA -0.162 4.188 4.350 0.001 0.000 0.270 492 T C 1.945 176.676 174.700 0.052 0.000 1.082 492 T CA 1.402 63.541 62.100 0.064 0.000 1.123 492 T CB -0.269 68.638 68.868 0.067 0.000 0.856 492 T HN 0.207 nan 8.240 nan 0.000 0.499 493 I N 1.995 122.580 120.570 0.025 0.000 2.270 493 I HA 0.169 4.340 4.170 0.001 0.000 0.239 493 I C 3.174 179.330 176.117 0.066 0.000 1.080 493 I CA 0.968 62.321 61.300 0.088 0.000 1.383 493 I CB -1.742 36.261 38.000 0.006 0.000 1.097 493 I HN 0.345 nan 8.210 nan 0.000 0.420 494 A N 1.162 123.955 122.820 -0.045 0.000 1.958 494 A HA -0.237 4.083 4.320 0.001 0.000 0.221 494 A C 2.528 180.036 177.584 -0.126 0.000 1.178 494 A CA 2.386 54.373 52.037 -0.084 0.000 0.642 494 A CB -0.842 18.067 19.000 -0.151 0.000 0.816 494 A HN 0.454 nan 8.150 nan 0.000 0.453 495 A N -1.070 121.620 122.820 -0.217 0.000 1.858 495 A HA -0.050 4.270 4.320 0.001 0.000 0.216 495 A C 2.073 179.616 177.584 -0.068 0.000 1.190 495 A CA 1.624 53.552 52.037 -0.181 0.000 0.617 495 A CB -0.858 18.043 19.000 -0.164 0.000 0.827 495 A HN 0.772 nan 8.150 nan 0.000 0.443 496 F N 0.084 119.942 119.950 -0.153 0.000 2.065 496 F HA -0.241 4.286 4.527 0.001 0.000 0.298 496 F C 1.940 177.618 175.800 -0.204 0.000 1.112 496 F CA 2.117 59.986 58.000 -0.218 0.000 1.212 496 F CB -0.334 38.448 39.000 -0.365 0.000 0.975 496 F HN 0.201 nan 8.300 nan 0.000 0.476 497 L N 0.943 122.264 121.223 0.163 0.000 2.012 497 L HA -0.071 4.269 4.340 0.001 0.000 0.210 497 L C 2.619 179.438 176.870 -0.086 0.000 1.073 497 L CA 2.222 57.116 54.840 0.089 0.000 0.748 497 L CB -1.652 40.503 42.059 0.160 0.000 0.891 497 L HN 0.285 nan 8.230 nan 0.000 0.431 498 G N -1.674 107.072 108.800 -0.090 0.000 2.470 498 G HA2 -0.178 3.783 3.960 0.001 0.000 0.220 498 G HA3 -0.178 3.783 3.960 0.001 0.000 0.220 498 G C 1.469 176.273 174.900 -0.159 0.000 1.121 498 G CA 0.673 45.705 45.100 -0.112 0.000 0.766 498 G HN 0.592 nan 8.290 nan 0.000 0.553 499 G N 0.938 109.599 108.800 -0.232 0.000 2.404 499 G HA2 0.140 4.100 3.960 0.001 0.000 0.213 499 G HA3 0.140 4.100 3.960 0.001 0.000 0.213 499 G C 2.043 176.756 174.900 -0.313 0.000 1.189 499 G CA 1.323 46.260 45.100 -0.272 0.000 0.796 499 G HN 0.541 nan 8.290 nan 0.000 0.532 500 A N 1.155 123.707 122.820 -0.446 0.000 1.902 500 A HA 0.291 4.611 4.320 0.001 0.000 0.217 500 A C 2.786 180.205 177.584 -0.274 0.000 1.181 500 A CA 2.232 54.010 52.037 -0.432 0.000 0.623 500 A CB -0.770 17.873 19.000 -0.595 0.000 0.818 500 A HN 0.735 nan 8.150 nan 0.000 0.443 501 A N 0.032 122.730 122.820 -0.204 0.000 1.858 501 A HA 0.141 4.462 4.320 0.001 0.000 0.216 501 A C 2.549 180.076 177.584 -0.095 0.000 1.190 501 A CA 2.234 54.209 52.037 -0.104 0.000 0.617 501 A CB -1.215 17.742 19.000 -0.071 0.000 0.827 501 A HN 1.143 nan 8.150 nan 0.000 0.443 502 A N -1.030 121.721 122.820 -0.115 0.000 1.927 502 A HA -0.300 4.020 4.320 0.001 0.000 0.220 502 A C 2.168 179.691 177.584 -0.101 0.000 1.185 502 A CA 2.465 54.442 52.037 -0.101 0.000 0.639 502 A CB -0.588 18.352 19.000 -0.100 0.000 0.820 502 A HN 0.535 nan 8.150 nan 0.000 0.451 503 Q N -0.335 119.393 119.800 -0.121 0.000 2.084 503 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 503 Q C 1.874 177.805 176.000 -0.116 0.000 0.978 503 Q CA 1.991 57.719 55.803 -0.125 0.000 0.844 503 Q CB -0.320 28.323 28.738 -0.159 0.000 0.898 503 Q HN 0.655 nan 8.270 nan 0.000 0.426 504 E N -0.372 119.777 120.200 -0.084 0.000 2.058 504 E HA -0.124 4.227 4.350 0.001 0.000 0.194 504 E C 2.146 178.689 176.600 -0.094 0.000 0.997 504 E CA 1.350 57.719 56.400 -0.052 0.000 0.801 504 E CB -0.679 29.053 29.700 0.053 0.000 0.746 504 E HN 0.258 nan 8.360 nan 0.000 0.450 505 V N 1.825 121.686 119.914 -0.089 0.000 2.370 505 V HA -0.273 3.847 4.120 0.001 0.000 0.252 505 V C 2.411 178.434 176.094 -0.118 0.000 1.068 505 V CA 1.650 63.891 62.300 -0.097 0.000 1.061 505 V CB -0.525 31.251 31.823 -0.079 0.000 0.656 505 V HN 0.210 nan 8.190 nan 0.000 0.455 506 I N -0.637 119.847 120.570 -0.143 0.000 2.202 506 I HA -0.223 3.947 4.170 0.001 0.000 0.242 506 I C 2.538 178.564 176.117 -0.152 0.000 1.091 506 I CA 1.501 62.672 61.300 -0.216 0.000 1.368 506 I CB -0.493 37.317 38.000 -0.317 0.000 1.058 506 I HN 0.247 nan 8.210 nan 0.000 0.410 507 K N 0.859 121.210 120.400 -0.083 0.000 2.127 507 K HA -0.196 4.125 4.320 0.001 0.000 0.208 507 K C 2.004 178.628 176.600 0.041 0.000 1.047 507 K CA 1.503 57.820 56.287 0.051 0.000 0.927 507 K CB -0.217 32.310 32.500 0.045 0.000 0.716 507 K HN 0.366 nan 8.250 nan 0.000 0.450 508 I N 0.597 121.115 120.570 -0.085 0.000 2.193 508 I HA -0.246 3.924 4.170 0.001 0.000 0.240 508 I C 2.280 178.393 176.117 -0.007 0.000 1.084 508 I CA 1.172 62.395 61.300 -0.128 0.000 1.365 508 I CB -0.275 37.601 38.000 -0.207 0.000 1.064 508 I HN 0.092 nan 8.210 nan 0.000 0.410 509 I N 0.908 121.443 120.570 -0.059 0.000 2.226 509 I HA -0.259 3.911 4.170 0.001 0.000 0.245 509 I C 2.596 178.675 176.117 -0.063 0.000 1.100 509 I CA 2.024 63.287 61.300 -0.062 0.000 1.374 509 I CB -0.575 37.362 38.000 -0.105 0.000 1.057 509 I HN 0.381 nan 8.210 nan 0.000 0.413 510 T N -2.615 111.884 114.554 -0.092 0.000 3.088 510 T HA 0.035 4.385 4.350 0.001 0.000 0.259 510 T C 0.975 175.683 174.700 0.014 0.000 1.122 510 T CA -0.089 61.961 62.100 -0.082 0.000 1.095 510 T CB -0.171 68.605 68.868 -0.152 0.000 0.930 510 T HN 0.246 nan 8.240 nan 0.000 0.508 511 K N 0.827 121.271 120.400 0.073 0.000 3.035 511 K HA -0.219 4.102 4.320 0.001 0.000 0.262 511 K C 0.814 177.436 176.600 0.037 0.000 1.024 511 K CA 0.700 57.026 56.287 0.065 0.000 0.748 511 K CB -1.130 31.341 32.500 -0.049 0.000 1.247 511 K HN 0.531 nan 8.250 nan 0.000 0.482 512 Q N -1.070 118.810 119.800 0.134 0.000 2.281 512 Q HA 0.175 4.515 4.340 0.001 0.000 0.215 512 Q C -0.054 175.899 176.000 -0.079 0.000 0.867 512 Q CA 0.573 56.426 55.803 0.083 0.000 0.940 512 Q CB 0.510 29.379 28.738 0.218 0.000 1.111 512 Q HN 0.210 nan 8.270 nan 0.000 0.513 513 F N -1.361 118.673 119.950 0.140 0.000 2.980 513 F HA 0.349 4.876 4.527 0.001 0.000 0.335 513 F C -0.399 175.454 175.800 0.089 0.000 1.210 513 F CA -1.159 56.923 58.000 0.137 0.000 0.986 513 F CB 0.787 39.858 39.000 0.118 0.000 1.469 513 F HN -0.492 nan 8.300 nan 0.000 0.519 514 V N 3.293 123.378 119.914 0.285 0.000 2.350 514 V HA 0.345 4.466 4.120 0.001 0.000 0.276 514 V C 0.105 176.271 176.094 0.121 0.000 1.028 514 V CA -0.836 61.560 62.300 0.161 0.000 0.860 514 V CB 0.643 32.534 31.823 0.113 0.000 0.990 514 V HN 0.572 nan 8.190 nan 0.000 0.453 515 I N 2.666 123.271 120.570 0.057 0.000 2.754 515 I HA 0.417 4.587 4.170 0.001 0.000 0.285 515 I C 0.433 176.514 176.117 -0.060 0.000 1.166 515 I CA -0.346 60.910 61.300 -0.074 0.000 1.417 515 I CB 0.353 38.183 38.000 -0.283 0.000 1.382 515 I HN 0.610 nan 8.210 nan 0.000 0.588 516 F N 3.420 123.342 119.950 -0.047 0.000 2.490 516 F HA 0.313 4.840 4.527 0.001 0.000 0.336 516 F C 0.161 175.966 175.800 0.007 0.000 1.178 516 F CA -0.629 57.356 58.000 -0.025 0.000 1.301 516 F CB 0.043 39.003 39.000 -0.067 0.000 1.175 516 F HN 0.589 nan 8.300 nan 0.000 0.593 517 N N 3.359 122.165 118.700 0.176 0.000 2.444 517 N HA 0.222 4.962 4.740 0.001 0.000 0.262 517 N C -0.719 174.914 175.510 0.205 0.000 0.974 517 N CA -0.081 53.008 53.050 0.066 0.000 0.933 517 N CB 0.309 38.839 38.487 0.071 0.000 1.137 517 N HN 0.877 nan 8.380 nan 0.000 0.498 518 N N 1.067 119.841 118.700 0.124 0.000 6.535 518 N HA -0.207 4.533 4.740 0.001 0.000 0.409 518 N C -1.075 174.710 175.510 0.459 0.000 0.975 518 N CA 0.832 54.019 53.050 0.227 0.000 1.813 518 N CB -0.670 37.937 38.487 0.200 0.000 0.751 518 N HN 0.579 nan 8.380 nan 0.000 0.467 519 T N 1.438 116.217 114.554 0.375 0.000 2.772 519 T HA -0.041 4.310 4.350 0.001 0.000 0.268 519 T C -0.143 174.791 174.700 0.391 0.000 1.025 519 T CA 0.929 63.254 62.100 0.375 0.000 1.139 519 T CB -0.331 68.725 68.868 0.313 0.000 1.053 519 T HN 0.380 nan 8.240 nan 0.000 0.483 520 Y N 3.194 123.509 120.300 0.025 0.000 2.409 520 Y HA 0.639 5.189 4.550 0.001 0.000 0.343 520 Y C -0.804 175.141 175.900 0.076 0.000 0.973 520 Y CA -1.610 56.409 58.100 -0.134 0.000 1.064 520 Y CB 1.077 39.147 38.460 -0.651 0.000 1.207 520 Y HN 0.586 nan 8.280 nan 0.000 0.452 521 I N 7.185 127.455 120.570 -0.500 0.000 2.478 521 I HA 0.206 4.376 4.170 0.001 0.000 0.287 521 I C -1.708 174.195 176.117 -0.357 0.000 1.042 521 I CA -0.991 60.193 61.300 -0.193 0.000 1.067 521 I CB 1.694 39.810 38.000 0.194 0.000 1.233 521 I HN 0.590 nan 8.210 nan 0.000 0.431 522 Y N 6.290 126.413 120.300 -0.294 0.000 2.335 522 Y HA 0.538 5.089 4.550 0.001 0.000 0.338 522 Y C -0.327 175.465 175.900 -0.179 0.000 0.977 522 Y CA -0.746 57.186 58.100 -0.280 0.000 1.114 522 Y CB 1.852 40.161 38.460 -0.252 0.000 1.182 522 Y HN 0.469 nan 8.280 nan 0.000 0.463 523 S N 4.191 119.437 115.700 -0.757 0.000 2.433 523 S HA 0.455 4.925 4.470 0.001 0.000 0.310 523 S C 0.900 174.921 174.600 -0.965 0.000 1.097 523 S CA 0.004 57.818 58.200 -0.642 0.000 1.103 523 S CB 0.661 63.715 63.200 -0.243 0.000 0.992 523 S HN 1.108 nan 8.310 nan 0.000 0.469 524 G N 4.546 112.860 108.800 -0.811 0.000 2.414 524 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 524 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 524 G C 1.235 175.955 174.900 -0.300 0.000 1.188 524 G CA 1.001 45.754 45.100 -0.580 0.000 0.783 524 G HN 0.716 nan 8.290 nan 0.000 0.537 525 M N 1.701 121.182 119.600 -0.198 0.000 2.151 525 M HA -0.164 4.316 4.480 0.001 0.000 0.256 525 M C 2.794 179.042 176.300 -0.087 0.000 1.072 525 M CA 2.507 57.749 55.300 -0.097 0.000 1.090 525 M CB -0.474 32.106 32.600 -0.033 0.000 1.294 525 M HN 0.353 nan 8.290 nan 0.000 0.415 526 S N -1.913 113.729 115.700 -0.095 0.000 2.528 526 S HA 0.033 4.504 4.470 0.001 0.000 0.219 526 S C 0.655 175.213 174.600 -0.069 0.000 0.985 526 S CA -0.111 58.053 58.200 -0.060 0.000 0.914 526 S CB 0.006 63.188 63.200 -0.029 0.000 0.776 526 S HN 0.497 nan 8.310 nan 0.000 0.526 527 Q N 1.653 121.370 119.800 -0.140 0.000 2.459 527 Q HA -0.124 4.217 4.340 0.001 0.000 0.322 527 Q C -0.208 175.796 176.000 0.007 0.000 1.427 527 Q CA 1.359 57.124 55.803 -0.063 0.000 0.861 527 Q CB -2.469 26.273 28.738 0.007 0.000 1.137 527 Q HN 0.964 nan 8.270 nan 0.000 0.394 528 T N -3.125 111.403 114.554 -0.044 0.000 2.843 528 T HA 0.840 5.190 4.350 0.001 0.000 0.302 528 T C -0.168 174.546 174.700 0.023 0.000 1.232 528 T CA -0.063 62.049 62.100 0.020 0.000 1.009 528 T CB 2.620 71.485 68.868 -0.005 0.000 1.254 528 T HN 0.407 nan 8.240 nan 0.000 0.504 529 S N -0.097 115.624 115.700 0.036 0.000 2.651 529 S HA 0.964 5.434 4.470 0.001 0.000 0.279 529 S C -1.139 173.376 174.600 -0.143 0.000 1.148 529 S CA -0.603 57.551 58.200 -0.076 0.000 0.837 529 S CB 1.517 64.734 63.200 0.029 0.000 1.138 529 S HN 2.126 nan 8.310 nan 0.000 0.478 530 A N 0.827 123.447 122.820 -0.332 0.000 2.555 530 A HA 0.715 5.035 4.320 0.001 0.000 0.297 530 A C -0.425 176.861 177.584 -0.496 0.000 1.060 530 A CA -0.728 51.085 52.037 -0.373 0.000 0.710 530 A CB 1.038 19.756 19.000 -0.470 0.000 1.282 530 A HN 0.880 nan 8.150 nan 0.000 0.399 531 T N 1.434 115.787 114.554 -0.335 0.000 2.902 531 T HA 0.750 5.100 4.350 0.001 0.000 0.280 531 T C -0.330 174.112 174.700 -0.431 0.000 0.992 531 T CA 0.214 62.240 62.100 -0.122 0.000 1.015 531 T CB 0.518 69.444 68.868 0.097 0.000 1.044 531 T HN 0.409 nan 8.240 nan 0.000 0.520 532 F N -0.559 119.460 119.950 0.115 0.000 3.064 532 F HA 0.313 4.841 4.527 0.001 0.000 0.353 532 F C 0.401 176.238 175.800 0.061 0.000 1.393 532 F CA -1.314 56.718 58.000 0.055 0.000 1.080 532 F CB 0.399 39.388 39.000 -0.019 0.000 1.619 532 F HN 0.491 nan 8.300 nan 0.000 0.465 533 Q N 2.856 122.858 119.800 0.337 0.000 3.508 533 Q HA 0.105 4.445 4.340 0.001 0.000 0.355 533 Q C -1.168 174.915 176.000 0.138 0.000 1.185 533 Q CA 0.581 56.489 55.803 0.174 0.000 1.251 533 Q CB -0.851 27.942 28.738 0.092 0.000 1.052 533 Q HN 0.573 nan 8.270 nan 0.000 0.452 534 L N 0.000 121.296 121.223 0.122 0.000 2.949 534 L HA 0.000 4.340 4.340 0.001 0.000 0.249 534 L CA 0.000 54.902 54.840 0.103 0.000 0.813 534 L CB 0.000 42.121 42.059 0.104 0.000 0.961 534 L HN 0.000 nan 8.230 nan 0.000 0.502