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 3jsm_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKRKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSA 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.352 177.300 0.087 0.000 1.155 1 P CA 0.000 63.140 63.100 0.066 0.000 0.800 1 P CB 0.000 31.724 31.700 0.039 0.000 0.726 2 I N 0.428 121.038 120.570 0.068 0.000 2.404 2 I HA 0.578 4.748 4.170 0.001 0.000 0.293 2 I C -0.337 175.819 176.117 0.066 0.000 0.992 2 I CA -0.367 60.981 61.300 0.081 0.000 1.149 2 I CB 1.671 39.709 38.000 0.064 0.000 1.315 2 I HN 0.246 nan 8.210 nan 0.000 0.446 3 S N 7.932 123.690 115.700 0.096 0.000 2.537 3 S HA 0.447 4.917 4.470 0.001 0.000 0.275 3 S C -1.438 173.203 174.600 0.069 0.000 1.272 3 S CA -1.373 56.884 58.200 0.094 0.000 1.050 3 S CB 1.045 64.351 63.200 0.175 0.000 0.961 3 S HN 0.577 nan 8.310 nan 0.000 0.496 4 P HA 0.057 nan 4.420 nan 0.000 0.242 4 P C 0.756 178.100 177.300 0.074 0.000 1.197 4 P CA 0.052 63.125 63.100 -0.046 0.000 0.765 4 P CB -0.107 31.459 31.700 -0.224 0.000 0.936 5 I N 1.005 121.729 120.570 0.257 0.000 3.003 5 I HA -0.071 4.100 4.170 0.001 0.000 0.294 5 I C 0.474 176.699 176.117 0.180 0.000 1.237 5 I CA -0.025 61.499 61.300 0.374 0.000 1.417 5 I CB 0.537 38.720 38.000 0.305 0.000 1.340 5 I HN -0.070 nan 8.210 nan 0.000 0.594 6 E N 4.562 124.855 120.200 0.154 0.000 2.366 6 E HA -0.003 4.348 4.350 0.001 0.000 0.266 6 E C -0.149 176.498 176.600 0.077 0.000 1.015 6 E CA 0.001 56.459 56.400 0.097 0.000 0.906 6 E CB 0.510 30.259 29.700 0.082 0.000 0.979 6 E HN 0.527 nan 8.360 nan 0.000 0.443 7 T N 2.210 116.806 114.554 0.071 0.000 2.930 7 T HA 0.098 4.449 4.350 0.001 0.000 0.306 7 T C -0.093 174.645 174.700 0.064 0.000 1.045 7 T CA -0.667 61.473 62.100 0.067 0.000 1.134 7 T CB 0.470 69.377 68.868 0.066 0.000 0.961 7 T HN 0.135 nan 8.240 nan 0.000 0.545 8 V N 8.499 128.453 119.914 0.066 0.000 2.498 8 V HA 0.320 4.440 4.120 0.001 0.000 0.279 8 V C -1.951 174.198 176.094 0.092 0.000 1.048 8 V CA -1.737 60.607 62.300 0.074 0.000 0.967 8 V CB 0.959 32.827 31.823 0.075 0.000 0.988 8 V HN 0.821 nan 8.190 nan 0.000 0.473 9 P HA 0.294 nan 4.420 nan 0.000 0.271 9 P C -0.946 176.417 177.300 0.105 0.000 1.226 9 P CA -0.000 63.155 63.100 0.092 0.000 0.765 9 P CB 0.717 32.460 31.700 0.072 0.000 0.835 10 V N 4.554 124.540 119.914 0.120 0.000 2.638 10 V HA 0.365 4.486 4.120 0.001 0.000 0.306 10 V C 0.182 176.404 176.094 0.213 0.000 1.052 10 V CA -0.635 61.726 62.300 0.102 0.000 0.885 10 V CB 2.090 33.890 31.823 -0.038 0.000 0.999 10 V HN 0.432 nan 8.190 nan 0.000 0.424 11 K N 3.416 123.906 120.400 0.150 0.000 2.245 11 K HA 0.764 5.085 4.320 0.001 0.000 0.234 11 K C -1.185 175.541 176.600 0.211 0.000 1.021 11 K CA -0.870 55.527 56.287 0.184 0.000 0.898 11 K CB 2.111 34.656 32.500 0.076 0.000 1.163 11 K HN 0.398 nan 8.250 nan 0.000 0.459 12 L N 1.455 122.764 121.223 0.144 0.000 2.322 12 L HA 0.353 4.693 4.340 0.001 0.000 0.269 12 L C 0.044 176.926 176.870 0.021 0.000 1.012 12 L CA -1.170 53.713 54.840 0.072 0.000 0.815 12 L CB 1.379 43.397 42.059 -0.068 0.000 1.295 12 L HN 0.366 nan 8.230 nan 0.000 0.438 13 K N 1.949 122.353 120.400 0.005 0.000 2.491 13 K HA 0.080 4.401 4.320 0.001 0.000 0.279 13 K C -2.265 174.337 176.600 0.002 0.000 1.026 13 K CA -1.278 55.007 56.287 -0.003 0.000 1.070 13 K CB -0.133 32.368 32.500 0.001 0.000 0.887 13 K HN 0.243 nan 8.250 nan 0.000 0.481 14 P HA -0.173 nan 4.420 nan 0.000 0.260 14 P C 0.525 177.832 177.300 0.012 0.000 1.147 14 P CA 1.246 64.352 63.100 0.009 0.000 0.758 14 P CB 0.188 31.891 31.700 0.006 0.000 0.744 15 G N 2.205 111.015 108.800 0.018 0.000 2.283 15 G HA2 -0.283 3.678 3.960 0.001 0.000 0.280 15 G HA3 -0.283 3.678 3.960 0.001 0.000 0.280 15 G C 0.055 174.968 174.900 0.022 0.000 1.029 15 G CA -0.013 45.100 45.100 0.022 0.000 0.840 15 G HN 0.452 nan 8.290 nan 0.000 0.505 16 M N -0.641 118.966 119.600 0.012 0.000 2.664 16 M HA 0.477 4.957 4.480 0.001 0.000 0.314 16 M C -0.256 176.044 176.300 0.000 0.000 1.200 16 M CA -0.868 54.436 55.300 0.007 0.000 0.916 16 M CB 1.736 34.333 32.600 -0.006 0.000 1.717 16 M HN 0.124 nan 8.290 nan 0.000 0.470 17 D N 0.073 120.489 120.400 0.027 0.000 2.494 17 D HA 0.580 5.221 4.640 0.001 0.000 0.259 17 D C -0.272 176.044 176.300 0.027 0.000 1.109 17 D CA -0.102 53.954 54.000 0.093 0.000 1.040 17 D CB 1.753 42.654 40.800 0.168 0.000 1.175 17 D HN 0.703 nan 8.370 nan 0.000 0.584 18 G N -0.065 108.866 108.800 0.219 0.000 2.616 18 G HA2 0.400 4.361 3.960 0.001 0.000 0.268 18 G HA3 0.400 4.361 3.960 0.001 0.000 0.268 18 G C -2.278 172.810 174.900 0.312 0.000 1.213 18 G CA -0.767 44.352 45.100 0.032 0.000 0.926 18 G HN 0.382 nan 8.290 nan 0.000 0.523 19 P HA 0.291 nan 4.420 nan 0.000 0.277 19 P C -0.866 176.618 177.300 0.307 0.000 1.240 19 P CA -0.219 63.035 63.100 0.256 0.000 0.798 19 P CB 1.431 33.272 31.700 0.234 0.000 0.979 20 K N 0.836 121.351 120.400 0.193 0.000 3.054 20 K HA 0.220 4.540 4.320 0.001 0.000 0.203 20 K C -0.123 176.529 176.600 0.087 0.000 1.126 20 K CA -0.370 55.998 56.287 0.135 0.000 1.023 20 K CB 1.225 33.775 32.500 0.084 0.000 0.722 20 K HN 0.211 nan 8.250 nan 0.000 0.441 21 V N 1.042 121.010 119.914 0.091 0.000 2.834 21 V HA 0.271 4.392 4.120 0.001 0.000 0.301 21 V C -0.116 175.995 176.094 0.030 0.000 1.066 21 V CA -0.291 62.051 62.300 0.069 0.000 1.052 21 V CB 1.377 33.253 31.823 0.090 0.000 1.021 21 V HN 0.272 nan 8.190 nan 0.000 0.480 22 K N 3.244 123.658 120.400 0.023 0.000 2.098 22 K HA 0.326 4.646 4.320 0.001 0.000 0.257 22 K C -0.252 176.291 176.600 -0.096 0.000 0.999 22 K CA -0.635 55.643 56.287 -0.014 0.000 0.924 22 K CB 1.073 33.581 32.500 0.013 0.000 1.028 22 K HN 0.772 nan 8.250 nan 0.000 0.466 23 Q N 4.618 124.332 119.800 -0.144 0.000 2.431 23 Q HA 0.043 4.383 4.340 0.001 0.000 0.234 23 Q C -0.983 174.895 176.000 -0.204 0.000 1.203 23 Q CA -0.204 55.415 55.803 -0.307 0.000 0.902 23 Q CB 0.026 28.645 28.738 -0.197 0.000 1.455 23 Q HN 0.393 nan 8.270 nan 0.000 0.515 24 W N 3.051 124.363 121.300 0.020 0.000 2.295 24 W HA 0.253 4.914 4.660 0.001 0.000 0.335 24 W C -2.178 174.346 176.519 0.008 0.000 1.351 24 W CA -2.120 55.228 57.345 0.005 0.000 1.273 24 W CB -0.536 28.915 29.460 -0.016 0.000 1.214 24 W HN 0.427 nan 8.180 nan 0.000 0.563 25 P HA -0.049 nan 4.420 nan 0.000 0.267 25 P C -0.342 177.126 177.300 0.281 0.000 1.175 25 P CA 0.724 63.950 63.100 0.211 0.000 0.763 25 P CB 0.454 32.239 31.700 0.142 0.000 0.795 26 L N 0.628 121.960 121.223 0.182 0.000 2.350 26 L HA 0.479 4.820 4.340 0.001 0.000 0.260 26 L C 0.964 177.897 176.870 0.105 0.000 1.015 26 L CA -0.935 54.014 54.840 0.181 0.000 0.821 26 L CB 1.983 44.141 42.059 0.165 0.000 1.370 26 L HN 0.342 nan 8.230 nan 0.000 0.416 27 T N -2.798 111.814 114.554 0.097 0.000 2.663 27 T HA -0.058 4.292 4.350 0.001 0.000 0.325 27 T C 0.830 175.551 174.700 0.036 0.000 1.059 27 T CA 0.230 62.369 62.100 0.065 0.000 1.039 27 T CB 0.658 69.570 68.868 0.073 0.000 0.996 27 T HN 0.845 nan 8.240 nan 0.000 0.539 28 E N -0.542 119.674 120.200 0.028 0.000 2.435 28 E HA -0.060 4.291 4.350 0.001 0.000 0.195 28 E C 1.842 178.438 176.600 -0.007 0.000 1.029 28 E CA 0.545 56.952 56.400 0.011 0.000 0.865 28 E CB 0.037 29.748 29.700 0.017 0.000 0.833 28 E HN 0.861 nan 8.360 nan 0.000 0.510 29 E N 0.891 121.092 120.200 0.001 0.000 2.021 29 E HA -0.151 4.199 4.350 0.001 0.000 0.189 29 E C 1.818 178.315 176.600 -0.170 0.000 0.980 29 E CA 0.738 57.127 56.400 -0.018 0.000 0.803 29 E CB 0.168 29.913 29.700 0.076 0.000 0.766 29 E HN 0.077 nan 8.360 nan 0.000 0.449 30 K N 0.605 120.901 120.400 -0.174 0.000 2.009 30 K HA -0.163 4.158 4.320 0.001 0.000 0.210 30 K C 2.317 178.753 176.600 -0.274 0.000 1.049 30 K CA 1.698 57.784 56.287 -0.335 0.000 0.929 30 K CB -0.341 32.103 32.500 -0.093 0.000 0.714 30 K HN 0.273 nan 8.250 nan 0.000 0.440 31 I N 1.586 122.082 120.570 -0.124 0.000 2.151 31 I HA -0.344 3.826 4.170 0.001 0.000 0.243 31 I C 2.282 178.331 176.117 -0.113 0.000 1.080 31 I CA 1.524 62.774 61.300 -0.084 0.000 1.339 31 I CB -0.405 37.576 38.000 -0.031 0.000 1.039 31 I HN 0.206 nan 8.210 nan 0.000 0.409 32 K N 0.643 120.970 120.400 -0.123 0.000 2.160 32 K HA -0.194 4.127 4.320 0.001 0.000 0.206 32 K C 2.124 178.629 176.600 -0.159 0.000 1.047 32 K CA 1.677 57.900 56.287 -0.107 0.000 0.930 32 K CB -0.186 32.268 32.500 -0.075 0.000 0.720 32 K HN 0.396 nan 8.250 nan 0.000 0.450 33 A N 0.306 122.934 122.820 -0.319 0.000 1.984 33 A HA 0.002 4.322 4.320 0.001 0.000 0.214 33 A C 1.912 179.328 177.584 -0.280 0.000 1.173 33 A CA 0.486 52.274 52.037 -0.415 0.000 0.673 33 A CB -0.128 18.225 19.000 -1.078 0.000 0.830 33 A HN 0.052 nan 8.150 nan 0.000 0.453 34 L N -0.044 121.035 121.223 -0.240 0.000 2.017 34 L HA -0.134 4.206 4.340 0.001 0.000 0.208 34 L C 2.458 179.294 176.870 -0.056 0.000 1.073 34 L CA 1.626 56.396 54.840 -0.116 0.000 0.745 34 L CB -0.574 41.447 42.059 -0.062 0.000 0.894 34 L HN 0.229 nan 8.230 nan 0.000 0.432 35 V N -0.856 119.032 119.914 -0.044 0.000 2.759 35 V HA -0.226 3.895 4.120 0.001 0.000 0.256 35 V C 2.361 178.438 176.094 -0.027 0.000 1.080 35 V CA 1.505 63.799 62.300 -0.010 0.000 1.101 35 V CB -0.732 31.091 31.823 0.001 0.000 0.698 35 V HN 0.565 nan 8.190 nan 0.000 0.477 36 E N 0.378 120.549 120.200 -0.049 0.000 2.158 36 E HA -0.112 4.238 4.350 0.001 0.000 0.191 36 E C 2.129 178.714 176.600 -0.025 0.000 0.982 36 E CA 0.954 57.335 56.400 -0.031 0.000 0.823 36 E CB 0.014 29.693 29.700 -0.035 0.000 0.766 36 E HN 0.633 nan 8.360 nan 0.000 0.468 37 I N 0.336 120.884 120.570 -0.037 0.000 2.296 37 I HA -0.233 3.938 4.170 0.001 0.000 0.242 37 I C 2.515 178.586 176.117 -0.076 0.000 1.087 37 I CA 0.344 61.629 61.300 -0.024 0.000 1.393 37 I CB -0.335 37.661 38.000 -0.006 0.000 1.093 37 I HN 0.274 nan 8.210 nan 0.000 0.421 38 C N 0.800 120.031 119.300 -0.114 0.000 2.401 38 C HA -0.189 4.271 4.460 0.001 0.000 0.276 38 C C 3.045 177.898 174.990 -0.229 0.000 1.233 38 C CA 1.670 60.540 59.018 -0.246 0.000 1.753 38 C CB -1.215 26.348 27.740 -0.295 0.000 2.029 38 C HN 0.526 nan 8.230 nan 0.000 0.478 39 T N 0.324 114.813 114.554 -0.109 0.000 2.699 39 T HA -0.224 4.126 4.350 0.001 0.000 0.268 39 T C 1.714 176.375 174.700 -0.065 0.000 1.036 39 T CA 2.035 64.099 62.100 -0.060 0.000 1.147 39 T CB -0.322 68.536 68.868 -0.018 0.000 0.862 39 T HN 0.566 nan 8.240 nan 0.000 0.446 40 E N 0.891 121.058 120.200 -0.056 0.000 2.072 40 E HA 0.017 4.367 4.350 0.001 0.000 0.191 40 E C 2.147 178.709 176.600 -0.064 0.000 0.985 40 E CA 1.113 57.491 56.400 -0.037 0.000 0.801 40 E CB -0.327 29.368 29.700 -0.007 0.000 0.750 40 E HN 0.478 nan 8.360 nan 0.000 0.452 41 M N 0.074 119.604 119.600 -0.117 0.000 2.132 41 M HA -0.115 4.366 4.480 0.001 0.000 0.263 41 M C 2.276 178.463 176.300 -0.189 0.000 1.065 41 M CA 1.429 56.624 55.300 -0.175 0.000 1.122 41 M CB -0.305 32.119 32.600 -0.292 0.000 1.365 41 M HN 0.131 nan 8.290 nan 0.000 0.411 42 E N 0.893 120.964 120.200 -0.215 0.000 2.047 42 E HA -0.206 4.144 4.350 0.001 0.000 0.191 42 E C 1.996 178.553 176.600 -0.071 0.000 0.987 42 E CA 1.098 57.404 56.400 -0.157 0.000 0.799 42 E CB -0.097 29.522 29.700 -0.136 0.000 0.752 42 E HN 0.203 nan 8.360 nan 0.000 0.449 43 K N 1.024 121.391 120.400 -0.054 0.000 2.103 43 K HA -0.181 4.140 4.320 0.001 0.000 0.207 43 K C 1.684 178.269 176.600 -0.025 0.000 1.048 43 K CA 1.405 57.676 56.287 -0.026 0.000 0.930 43 K CB -0.057 32.432 32.500 -0.018 0.000 0.716 43 K HN 0.228 nan 8.250 nan 0.000 0.444 44 E N -1.516 118.664 120.200 -0.034 0.000 2.371 44 E HA 0.010 4.360 4.350 0.001 0.000 0.194 44 E C 0.855 177.441 176.600 -0.024 0.000 1.012 44 E CA 0.512 56.900 56.400 -0.020 0.000 0.860 44 E CB 0.181 29.875 29.700 -0.009 0.000 0.811 44 E HN 0.564 nan 8.360 nan 0.000 0.502 45 G N 1.633 110.406 108.800 -0.046 0.000 2.176 45 G HA2 -0.269 3.692 3.960 0.001 0.000 0.232 45 G HA3 -0.269 3.692 3.960 0.001 0.000 0.232 45 G C 0.888 175.753 174.900 -0.059 0.000 0.986 45 G CA 0.339 45.414 45.100 -0.042 0.000 0.643 45 G HN 0.150 nan 8.290 nan 0.000 0.522 46 K N 0.050 120.390 120.400 -0.101 0.000 2.365 46 K HA 0.237 4.557 4.320 0.001 0.000 0.199 46 K C 1.392 177.845 176.600 -0.244 0.000 1.045 46 K CA 1.423 57.623 56.287 -0.144 0.000 0.962 46 K CB 0.213 32.591 32.500 -0.204 0.000 0.759 46 K HN 0.855 nan 8.250 nan 0.000 0.469 47 I N -3.431 116.989 120.570 -0.249 0.000 3.195 47 I HA 0.381 4.552 4.170 0.001 0.000 0.313 47 I C -1.238 174.818 176.117 -0.102 0.000 1.237 47 I CA -1.096 60.052 61.300 -0.253 0.000 0.963 47 I CB 2.538 40.277 38.000 -0.435 0.000 1.278 47 I HN -0.312 nan 8.210 nan 0.000 0.460 48 S N 1.136 116.837 115.700 0.002 0.000 2.540 48 S HA 0.479 4.949 4.470 0.001 0.000 0.275 48 S C -0.823 173.861 174.600 0.141 0.000 1.123 48 S CA -1.053 57.194 58.200 0.077 0.000 0.907 48 S CB 1.934 65.142 63.200 0.013 0.000 1.081 48 S HN 0.563 nan 8.310 nan 0.000 0.476 49 K N 1.604 122.056 120.400 0.086 0.000 2.286 49 K HA 0.452 4.773 4.320 0.001 0.000 0.256 49 K C -0.094 176.412 176.600 -0.158 0.000 0.999 49 K CA 0.013 56.174 56.287 -0.210 0.000 0.908 49 K CB 0.182 32.529 32.500 -0.256 0.000 0.981 49 K HN 0.667 nan 8.250 nan 0.000 0.500 50 I N -2.796 117.643 120.570 -0.218 0.000 2.827 50 I HA 0.524 4.694 4.170 0.001 0.000 0.298 50 I C -0.064 175.965 176.117 -0.147 0.000 1.235 50 I CA -1.099 60.117 61.300 -0.140 0.000 1.021 50 I CB 2.131 40.068 38.000 -0.106 0.000 1.259 50 I HN 0.615 nan 8.210 nan 0.000 0.427 51 G N 2.490 111.226 108.800 -0.106 0.000 2.641 51 G HA2 0.541 4.502 3.960 0.001 0.000 0.239 51 G HA3 0.541 4.502 3.960 0.001 0.000 0.239 51 G C -1.652 173.197 174.900 -0.085 0.000 1.402 51 G CA -0.897 44.144 45.100 -0.098 0.000 1.046 51 G HN 0.558 nan 8.290 nan 0.000 0.565 52 P HA -0.131 nan 4.420 nan 0.000 0.216 52 P C 1.426 178.684 177.300 -0.069 0.000 1.150 52 P CA 1.515 64.573 63.100 -0.070 0.000 0.837 52 P CB 0.019 31.682 31.700 -0.061 0.000 0.786 53 E N 0.152 120.316 120.200 -0.061 0.000 2.333 53 E HA -0.178 4.173 4.350 0.001 0.000 0.200 53 E C 0.561 177.127 176.600 -0.057 0.000 1.010 53 E CA 0.784 57.151 56.400 -0.055 0.000 0.841 53 E CB -1.178 28.495 29.700 -0.044 0.000 0.757 53 E HN 0.220 nan 8.360 nan 0.000 0.508 54 N N 2.118 120.786 118.700 -0.053 0.000 2.462 54 N HA 0.099 4.840 4.740 0.001 0.000 0.242 54 N C -1.967 173.486 175.510 -0.095 0.000 1.010 54 N CA -1.795 51.242 53.050 -0.022 0.000 0.939 54 N CB 1.406 39.905 38.487 0.019 0.000 1.127 54 N HN -0.056 nan 8.380 nan 0.000 0.509 55 P HA 0.100 nan 4.420 nan 0.000 0.255 55 P C -1.013 175.954 177.300 -0.555 0.000 1.357 55 P CA 0.193 63.033 63.100 -0.434 0.000 0.839 55 P CB -0.180 31.207 31.700 -0.520 0.000 1.356 56 Y N -0.619 119.689 120.300 0.014 0.000 2.602 56 Y HA 0.643 5.193 4.550 0.001 0.000 0.342 56 Y C 0.578 176.504 175.900 0.043 0.000 1.029 56 Y CA -0.978 57.153 58.100 0.051 0.000 1.080 56 Y CB 1.635 40.153 38.460 0.097 0.000 1.284 56 Y HN -0.160 nan 8.280 nan 0.000 0.485 57 N N -0.476 118.368 118.700 0.241 0.000 2.928 57 N HA 0.290 5.030 4.740 0.001 0.000 0.247 57 N C -2.067 173.514 175.510 0.118 0.000 1.141 57 N CA -0.230 52.911 53.050 0.151 0.000 0.977 57 N CB 2.183 40.711 38.487 0.068 0.000 1.663 57 N HN 0.712 nan 8.380 nan 0.000 0.509 58 T N 2.422 117.021 114.554 0.076 0.000 2.900 58 T HA 0.587 4.937 4.350 0.001 0.000 0.295 58 T C -2.746 171.883 174.700 -0.118 0.000 1.044 58 T CA -0.931 61.145 62.100 -0.040 0.000 0.995 58 T CB 2.353 71.105 68.868 -0.195 0.000 1.072 58 T HN 0.358 nan 8.240 nan 0.000 0.473 59 P HA 0.428 nan 4.420 nan 0.000 0.278 59 P C -0.866 176.239 177.300 -0.325 0.000 1.238 59 P CA -0.387 62.436 63.100 -0.461 0.000 0.794 59 P CB 1.084 32.252 31.700 -0.887 0.000 0.955 60 V N 0.229 119.959 119.914 -0.306 0.000 3.160 60 V HA 0.884 5.004 4.120 0.001 0.000 0.310 60 V C -0.776 175.432 176.094 0.190 0.000 1.181 60 V CA -0.789 61.483 62.300 -0.047 0.000 1.047 60 V CB 1.757 33.457 31.823 -0.206 0.000 1.068 60 V HN 0.652 nan 8.190 nan 0.000 0.441 61 F N -0.954 118.972 119.950 -0.040 0.000 3.360 61 F HA 1.061 5.588 4.527 0.001 0.000 0.327 61 F C -0.508 175.345 175.800 0.089 0.000 1.186 61 F CA -1.056 56.992 58.000 0.080 0.000 0.903 61 F CB 0.591 39.761 39.000 0.284 0.000 1.533 61 F HN 1.241 nan 8.300 nan 0.000 0.515 62 A N 0.132 123.107 122.820 0.259 0.000 2.606 62 A HA 0.855 5.176 4.320 0.001 0.000 0.293 62 A C -1.735 176.114 177.584 0.442 0.000 1.082 62 A CA -0.708 51.452 52.037 0.204 0.000 0.685 62 A CB 1.431 20.518 19.000 0.146 0.000 1.284 62 A HN 0.810 nan 8.150 nan 0.000 0.408 63 I N 0.342 121.162 120.570 0.417 0.000 3.042 63 I HA 0.454 4.625 4.170 0.001 0.000 0.310 63 I C -0.516 175.653 176.117 0.087 0.000 1.117 63 I CA -1.093 60.379 61.300 0.286 0.000 1.003 63 I CB 2.303 40.380 38.000 0.129 0.000 1.228 63 I HN 0.439 nan 8.210 nan 0.000 0.443 64 K N 2.817 123.084 120.400 -0.222 0.000 2.123 64 K HA 0.603 4.924 4.320 0.001 0.000 0.259 64 K C -0.695 175.752 176.600 -0.254 0.000 0.960 64 K CA -0.684 55.296 56.287 -0.511 0.000 0.872 64 K CB 1.938 34.065 32.500 -0.622 0.000 1.079 64 K HN 0.523 nan 8.250 nan 0.000 0.440 65 R N 0.996 121.352 120.500 -0.240 0.000 2.782 65 R HA 0.300 4.640 4.340 0.001 0.000 0.258 65 R C -0.063 176.157 176.300 -0.134 0.000 1.055 65 R CA -1.073 54.938 56.100 -0.148 0.000 1.065 65 R CB 0.770 31.000 30.300 -0.118 0.000 1.172 65 R HN 0.204 nan 8.270 nan 0.000 0.510 66 K N 2.228 122.570 120.400 -0.096 0.000 2.466 66 K HA -0.110 4.211 4.320 0.001 0.000 0.278 66 K C -0.288 176.268 176.600 -0.073 0.000 1.048 66 K CA 0.758 56.999 56.287 -0.076 0.000 1.088 66 K CB -0.149 32.317 32.500 -0.056 0.000 0.884 66 K HN 0.693 nan 8.250 nan 0.000 0.478 67 D N 1.499 121.855 120.400 -0.074 0.000 2.740 67 D HA -0.199 4.442 4.640 0.001 0.000 0.231 67 D C -1.363 174.894 176.300 -0.070 0.000 1.194 67 D CA 0.888 54.849 54.000 -0.064 0.000 0.673 67 D CB -0.513 40.263 40.800 -0.039 0.000 0.995 67 D HN 0.356 nan 8.370 nan 0.000 0.411 68 S N -0.048 115.588 115.700 -0.106 0.000 2.575 68 S HA 0.352 4.822 4.470 0.001 0.000 0.278 68 S C 0.974 175.489 174.600 -0.141 0.000 1.139 68 S CA -0.441 57.696 58.200 -0.105 0.000 0.954 68 S CB 1.888 65.024 63.200 -0.106 0.000 1.054 68 S HN 0.213 nan 8.310 nan 0.000 0.483 69 T N 1.398 115.906 114.554 -0.076 0.000 3.051 69 T HA -0.020 4.331 4.350 0.001 0.000 0.269 69 T C 0.744 175.417 174.700 -0.045 0.000 1.127 69 T CA 0.961 63.033 62.100 -0.046 0.000 1.107 69 T CB -0.093 68.785 68.868 0.016 0.000 0.898 69 T HN 0.358 nan 8.240 nan 0.000 0.517 70 K N 0.401 120.758 120.400 -0.072 0.000 2.218 70 K HA 0.267 4.588 4.320 0.001 0.000 0.276 70 K C -1.099 175.424 176.600 -0.128 0.000 1.022 70 K CA -0.572 55.706 56.287 -0.015 0.000 0.946 70 K CB 0.568 33.066 32.500 -0.002 0.000 1.000 70 K HN 0.155 nan 8.250 nan 0.000 0.468 71 W N 2.037 123.339 121.300 0.003 0.000 2.671 71 W HA 0.432 5.093 4.660 0.001 0.000 0.360 71 W C -0.169 176.342 176.519 -0.014 0.000 1.128 71 W CA -0.686 56.660 57.345 0.002 0.000 1.184 71 W CB 1.017 30.487 29.460 0.017 0.000 1.415 71 W HN 0.391 nan 8.180 nan 0.000 0.604 72 R N 2.328 122.976 120.500 0.247 0.000 2.435 72 R HA 0.264 4.604 4.340 0.001 0.000 0.308 72 R C -0.714 175.636 176.300 0.082 0.000 0.975 72 R CA -0.737 55.418 56.100 0.091 0.000 0.867 72 R CB 0.921 31.217 30.300 -0.006 0.000 1.171 72 R HN 0.487 nan 8.270 nan 0.000 0.470 73 K N 6.284 126.745 120.400 0.100 0.000 2.312 73 K HA 0.249 4.569 4.320 0.001 0.000 0.287 73 K C -0.890 175.680 176.600 -0.051 0.000 1.062 73 K CA -0.217 56.088 56.287 0.029 0.000 0.934 73 K CB 0.563 33.111 32.500 0.080 0.000 1.027 73 K HN 0.514 nan 8.250 nan 0.000 0.478 74 L N 3.602 124.640 121.223 -0.308 0.000 2.303 74 L HA 0.602 4.942 4.340 0.001 0.000 0.266 74 L C -0.734 175.864 176.870 -0.453 0.000 1.011 74 L CA -1.450 53.126 54.840 -0.439 0.000 0.818 74 L CB 2.121 43.666 42.059 -0.855 0.000 1.326 74 L HN 0.352 nan 8.230 nan 0.000 0.435 75 V N -0.337 119.436 119.914 -0.235 0.000 2.638 75 V HA 0.165 4.286 4.120 0.001 0.000 0.306 75 V C -0.721 175.374 176.094 0.002 0.000 1.052 75 V CA -0.563 61.600 62.300 -0.228 0.000 0.885 75 V CB 1.961 33.491 31.823 -0.488 0.000 0.999 75 V HN 0.665 nan 8.190 nan 0.000 0.424 76 D N 2.955 123.430 120.400 0.124 0.000 2.801 76 D HA 0.184 4.824 4.640 0.001 0.000 0.232 76 D C 0.536 176.906 176.300 0.116 0.000 1.128 76 D CA -0.095 54.079 54.000 0.289 0.000 1.003 76 D CB -0.401 40.648 40.800 0.414 0.000 1.110 76 D HN 0.456 nan 8.370 nan 0.000 0.477 77 F N 0.571 120.656 119.950 0.225 0.000 2.707 77 F HA 0.133 4.660 4.527 0.001 0.000 0.299 77 F C 2.122 178.050 175.800 0.214 0.000 1.259 77 F CA -0.157 57.976 58.000 0.222 0.000 1.437 77 F CB 0.032 39.198 39.000 0.276 0.000 1.071 77 F HN 0.121 nan 8.300 nan 0.000 0.518 78 R N 0.081 120.771 120.500 0.316 0.000 2.103 78 R HA -0.198 4.142 4.340 0.001 0.000 0.242 78 R C 2.208 178.643 176.300 0.224 0.000 1.142 78 R CA 1.385 57.630 56.100 0.242 0.000 0.960 78 R CB -0.149 30.265 30.300 0.190 0.000 0.858 78 R HN 0.243 nan 8.270 nan 0.000 0.439 79 E N 0.704 121.041 120.200 0.228 0.000 2.016 79 E HA -0.154 4.196 4.350 0.001 0.000 0.190 79 E C 1.938 178.671 176.600 0.220 0.000 0.985 79 E CA 0.822 57.339 56.400 0.196 0.000 0.802 79 E CB -0.359 29.446 29.700 0.176 0.000 0.762 79 E HN 0.109 nan 8.360 nan 0.000 0.448 80 L N 2.368 123.777 121.223 0.309 0.000 2.021 80 L HA -0.245 4.095 4.340 0.001 0.000 0.215 80 L C 1.603 178.655 176.870 0.303 0.000 1.074 80 L CA 1.925 56.954 54.840 0.314 0.000 0.760 80 L CB -1.069 41.281 42.059 0.484 0.000 0.889 80 L HN 0.062 nan 8.230 nan 0.000 0.433 81 N N 0.352 119.252 118.700 0.333 0.000 2.069 81 N HA -0.269 4.472 4.740 0.001 0.000 0.196 81 N C 1.784 177.389 175.510 0.157 0.000 1.024 81 N CA 2.140 55.333 53.050 0.238 0.000 0.869 81 N CB -0.382 38.215 38.487 0.183 0.000 1.035 81 N HN 0.538 nan 8.380 nan 0.000 0.434 82 K N 0.787 121.269 120.400 0.137 0.000 2.032 82 K HA -0.034 4.287 4.320 0.001 0.000 0.209 82 K C 2.024 178.671 176.600 0.078 0.000 1.048 82 K CA 1.054 57.396 56.287 0.092 0.000 0.927 82 K CB -0.113 32.439 32.500 0.086 0.000 0.712 82 K HN 0.249 nan 8.250 nan 0.000 0.441 83 R N 0.550 121.103 120.500 0.088 0.000 2.280 83 R HA 0.017 4.357 4.340 0.001 0.000 0.207 83 R C 0.521 176.858 176.300 0.062 0.000 1.043 83 R CA 0.518 56.648 56.100 0.050 0.000 1.006 83 R CB -0.167 30.142 30.300 0.016 0.000 0.885 83 R HN 0.109 nan 8.270 nan 0.000 0.467 84 T N 2.016 116.653 114.554 0.138 0.000 2.904 84 T HA 0.080 4.431 4.350 0.001 0.000 0.290 84 T C 0.344 175.060 174.700 0.027 0.000 1.018 84 T CA -0.634 61.583 62.100 0.196 0.000 1.075 84 T CB 1.405 70.495 68.868 0.370 0.000 0.986 84 T HN 0.219 nan 8.240 nan 0.000 0.523 85 Q N 1.366 121.123 119.800 -0.071 0.000 2.651 85 Q HA 0.249 4.589 4.340 0.001 0.000 0.224 85 Q C -0.956 174.803 176.000 -0.401 0.000 1.094 85 Q CA -0.440 55.229 55.803 -0.223 0.000 1.018 85 Q CB 0.035 28.591 28.738 -0.302 0.000 1.292 85 Q HN 0.671 nan 8.270 nan 0.000 0.588 86 D N -0.470 119.717 120.400 -0.355 0.000 2.228 86 D HA 0.537 5.177 4.640 0.001 0.000 0.247 86 D C -1.037 175.004 176.300 -0.431 0.000 0.995 86 D CA -0.637 53.180 54.000 -0.305 0.000 0.903 86 D CB 0.702 41.464 40.800 -0.063 0.000 1.205 86 D HN 0.386 nan 8.370 nan 0.000 0.459 87 F N -0.681 119.241 119.950 -0.047 0.000 2.585 87 F HA 0.440 4.968 4.527 0.001 0.000 0.350 87 F C -0.149 175.719 175.800 0.112 0.000 1.074 87 F CA -1.313 56.684 58.000 -0.005 0.000 1.032 87 F CB 0.930 39.868 39.000 -0.103 0.000 1.330 87 F HN 0.348 nan 8.300 nan 0.000 0.495 88 W N 1.986 123.367 121.300 0.135 0.000 2.282 88 W HA 0.358 5.018 4.660 0.001 0.000 0.322 88 W C -0.668 175.863 176.519 0.021 0.000 1.011 88 W CA -0.797 56.576 57.345 0.046 0.000 1.392 88 W CB 0.978 30.449 29.460 0.018 0.000 1.215 88 W HN 0.435 nan 8.180 nan 0.000 0.394 89 E N 2.725 122.663 120.200 -0.437 0.000 2.585 89 E HA -0.093 4.258 4.350 0.001 0.000 0.252 89 E C 0.735 177.045 176.600 -0.482 0.000 0.981 89 E CA 0.286 56.434 56.400 -0.421 0.000 0.943 89 E CB 1.497 30.942 29.700 -0.425 0.000 0.923 89 E HN 0.408 nan 8.360 nan 0.000 0.486 90 V N 3.941 123.705 119.914 -0.249 0.000 3.235 90 V HA -0.028 4.093 4.120 0.001 0.000 0.259 90 V C 0.625 176.635 176.094 -0.140 0.000 1.133 90 V CA 0.610 62.821 62.300 -0.148 0.000 1.128 90 V CB 0.065 31.848 31.823 -0.067 0.000 0.757 90 V HN 0.638 nan 8.190 nan 0.000 0.469 91 Q N 0.695 120.395 119.800 -0.167 0.000 2.307 91 Q HA 0.227 4.568 4.340 0.001 0.000 0.261 91 Q C 0.387 176.316 176.000 -0.117 0.000 1.051 91 Q CA 0.378 56.105 55.803 -0.125 0.000 0.911 91 Q CB 0.853 29.505 28.738 -0.145 0.000 1.227 91 Q HN 0.607 nan 8.270 nan 0.000 0.418 92 L N 3.026 124.205 121.223 -0.073 0.000 2.611 92 L HA 0.460 4.801 4.340 0.001 0.000 0.229 92 L C 0.968 177.816 176.870 -0.038 0.000 1.137 92 L CA 0.152 54.953 54.840 -0.066 0.000 0.901 92 L CB -0.645 41.390 42.059 -0.040 0.000 1.098 92 L HN 0.828 nan 8.230 nan 0.000 0.456 93 G N 0.344 109.141 108.800 -0.005 0.000 2.373 93 G HA2 0.218 4.179 3.960 0.001 0.000 0.250 93 G HA3 0.218 4.179 3.960 0.001 0.000 0.250 93 G C -1.504 173.438 174.900 0.070 0.000 1.304 93 G CA -0.805 44.302 45.100 0.012 0.000 0.948 93 G HN -0.059 nan 8.290 nan 0.000 0.474 94 I N 1.850 122.434 120.570 0.024 0.000 2.689 94 I HA 0.488 4.658 4.170 0.001 0.000 0.299 94 I C -1.896 174.204 176.117 -0.029 0.000 1.059 94 I CA -1.874 59.422 61.300 -0.007 0.000 1.055 94 I CB 2.370 40.321 38.000 -0.082 0.000 1.243 94 I HN 0.475 nan 8.210 nan 0.000 0.425 95 P HA 0.204 nan 4.420 nan 0.000 0.277 95 P C -1.344 175.953 177.300 -0.006 0.000 1.240 95 P CA -0.036 63.121 63.100 0.097 0.000 0.798 95 P CB 1.135 33.063 31.700 0.380 0.000 0.979 96 H N 2.432 121.391 119.070 -0.185 0.000 2.547 96 H HA 0.179 4.736 4.556 0.001 0.000 0.342 96 H C -1.522 173.529 175.328 -0.462 0.000 1.048 96 H CA -2.231 53.591 56.048 -0.376 0.000 1.204 96 H CB 2.576 32.102 29.762 -0.393 0.000 1.493 96 H HN 0.211 nan 8.280 nan 0.000 0.511 97 P HA -0.199 nan 4.420 nan 0.000 0.217 97 P C 0.849 177.641 177.300 -0.847 0.000 1.148 97 P CA 1.291 63.766 63.100 -1.041 0.000 0.834 97 P CB 0.100 30.666 31.700 -1.891 0.000 0.783 98 A N -0.644 121.608 122.820 -0.947 0.000 2.261 98 A HA 0.289 4.610 4.320 0.001 0.000 0.208 98 A C 2.043 179.722 177.584 0.158 0.000 1.223 98 A CA 0.915 52.927 52.037 -0.042 0.000 0.833 98 A CB -1.205 17.973 19.000 0.297 0.000 0.830 98 A HN 0.345 nan 8.150 nan 0.000 0.483 99 G N -1.024 107.699 108.800 -0.128 0.000 2.944 99 G HA2 0.355 4.315 3.960 0.001 0.000 0.223 99 G HA3 0.355 4.315 3.960 0.001 0.000 0.223 99 G C 0.418 175.326 174.900 0.014 0.000 1.071 99 G CA -0.299 44.693 45.100 -0.180 0.000 0.806 99 G HN 0.346 nan 8.290 nan 0.000 0.538 100 L N 1.318 122.464 121.223 -0.129 0.000 2.456 100 L HA 0.281 4.621 4.340 0.001 0.000 0.272 100 L C 0.318 177.185 176.870 -0.006 0.000 1.189 100 L CA 0.042 54.717 54.840 -0.275 0.000 0.846 100 L CB 0.764 42.438 42.059 -0.641 0.000 1.111 100 L HN -0.028 nan 8.230 nan 0.000 0.475 101 K N 1.605 122.010 120.400 0.008 0.000 2.098 101 K HA 0.252 4.572 4.320 0.001 0.000 0.261 101 K C -0.327 176.239 176.600 -0.057 0.000 0.987 101 K CA -0.988 55.345 56.287 0.077 0.000 0.916 101 K CB 1.106 33.661 32.500 0.092 0.000 1.039 101 K HN 0.208 nan 8.250 nan 0.000 0.455 102 K N 2.566 122.965 120.400 -0.001 0.000 2.447 102 K HA 0.001 4.321 4.320 0.001 0.000 0.281 102 K C -0.608 175.964 176.600 -0.046 0.000 1.031 102 K CA 0.651 56.914 56.287 -0.041 0.000 1.019 102 K CB 0.409 32.954 32.500 0.076 0.000 0.918 102 K HN 0.217 nan 8.250 nan 0.000 0.476 103 K N 3.473 123.822 120.400 -0.085 0.000 2.238 103 K HA 0.215 4.535 4.320 0.001 0.000 0.239 103 K C 0.280 176.861 176.600 -0.031 0.000 0.987 103 K CA -0.751 55.508 56.287 -0.047 0.000 0.857 103 K CB 1.564 34.029 32.500 -0.059 0.000 1.154 103 K HN 0.447 nan 8.250 nan 0.000 0.439 104 K N -0.146 120.249 120.400 -0.009 0.000 2.243 104 K HA 0.112 4.433 4.320 0.001 0.000 0.201 104 K C -0.285 176.293 176.600 -0.037 0.000 1.051 104 K CA 0.845 57.129 56.287 -0.005 0.000 0.970 104 K CB 0.424 32.932 32.500 0.014 0.000 0.755 104 K HN 0.412 nan 8.250 nan 0.000 0.465 105 S N -0.446 115.218 115.700 -0.059 0.000 2.575 105 S HA 0.530 5.000 4.470 0.001 0.000 0.278 105 S C -1.580 172.868 174.600 -0.253 0.000 1.139 105 S CA -0.952 57.112 58.200 -0.227 0.000 0.954 105 S CB 2.317 65.261 63.200 -0.426 0.000 1.054 105 S HN -0.121 nan 8.310 nan 0.000 0.483 106 V N 2.485 122.177 119.914 -0.370 0.000 2.735 106 V HA 0.796 4.917 4.120 0.001 0.000 0.310 106 V C -0.388 175.329 176.094 -0.629 0.000 1.061 106 V CA -0.417 61.494 62.300 -0.648 0.000 0.913 106 V CB 2.420 33.590 31.823 -1.088 0.000 1.005 106 V HN 0.971 nan 8.190 nan 0.000 0.428 107 T N 2.495 116.674 114.554 -0.625 0.000 2.900 107 T HA 0.711 5.062 4.350 0.001 0.000 0.303 107 T C -1.192 173.267 174.700 -0.402 0.000 1.142 107 T CA -0.580 61.353 62.100 -0.279 0.000 1.007 107 T CB 2.108 71.001 68.868 0.040 0.000 1.156 107 T HN 0.377 nan 8.240 nan 0.000 0.490 108 V N 2.947 122.781 119.914 -0.134 0.000 2.524 108 V HA 0.532 4.652 4.120 0.001 0.000 0.297 108 V C -0.747 175.326 176.094 -0.035 0.000 1.035 108 V CA -0.778 61.439 62.300 -0.139 0.000 0.867 108 V CB 1.335 33.026 31.823 -0.221 0.000 1.004 108 V HN 0.679 nan 8.190 nan 0.000 0.426 109 L N 3.252 124.474 121.223 -0.001 0.000 2.319 109 L HA 0.783 5.124 4.340 0.001 0.000 0.267 109 L C -0.725 176.173 176.870 0.046 0.000 1.011 109 L CA -0.580 54.278 54.840 0.030 0.000 0.818 109 L CB 2.216 44.292 42.059 0.028 0.000 1.316 109 L HN 0.574 nan 8.230 nan 0.000 0.432 110 D N 1.091 121.521 120.400 0.050 0.000 2.575 110 D HA 0.270 4.910 4.640 0.001 0.000 0.250 110 D C -0.996 175.332 176.300 0.047 0.000 1.279 110 D CA -0.317 53.713 54.000 0.050 0.000 0.925 110 D CB 2.535 43.355 40.800 0.034 0.000 1.261 110 D HN 0.134 nan 8.370 nan 0.000 0.567 111 V N 2.579 122.531 119.914 0.063 0.000 2.740 111 V HA 0.377 4.497 4.120 0.001 0.000 0.303 111 V C 1.414 177.522 176.094 0.024 0.000 1.054 111 V CA 0.048 62.393 62.300 0.074 0.000 1.106 111 V CB 1.240 33.156 31.823 0.156 0.000 0.957 111 V HN 0.615 nan 8.190 nan 0.000 0.486 112 G N 1.989 110.810 108.800 0.035 0.000 2.377 112 G HA2 0.447 4.408 3.960 0.001 0.000 0.299 112 G HA3 0.447 4.408 3.960 0.001 0.000 0.299 112 G C -0.174 174.730 174.900 0.008 0.000 1.150 112 G CA -0.364 44.741 45.100 0.009 0.000 0.847 112 G HN 0.896 nan 8.290 nan 0.000 0.501 113 D N 0.479 120.848 120.400 -0.051 0.000 2.704 113 D HA -0.254 4.386 4.640 0.001 0.000 0.232 113 D C 1.602 177.870 176.300 -0.054 0.000 1.183 113 D CA 0.865 54.825 54.000 -0.068 0.000 0.647 113 D CB -1.135 39.736 40.800 0.118 0.000 1.013 113 D HN 0.641 nan 8.370 nan 0.000 0.415 114 A N 0.187 122.902 122.820 -0.176 0.000 1.852 114 A HA -0.285 4.035 4.320 0.001 0.000 0.217 114 A C 1.860 179.478 177.584 0.056 0.000 1.215 114 A CA 1.562 53.515 52.037 -0.139 0.000 0.641 114 A CB -0.708 17.939 19.000 -0.589 0.000 0.838 114 A HN 0.380 nan 8.150 nan 0.000 0.450 115 Y N -0.490 119.598 120.300 -0.353 0.000 2.114 115 Y HA -0.187 4.363 4.550 0.001 0.000 0.282 115 Y C 2.143 178.220 175.900 0.295 0.000 1.165 115 Y CA 0.621 58.686 58.100 -0.058 0.000 1.148 115 Y CB -1.259 37.086 38.460 -0.192 0.000 0.972 115 Y HN 0.408 nan 8.280 nan 0.000 0.504 116 F N -0.954 119.154 119.950 0.263 0.000 2.772 116 F HA -0.082 4.446 4.527 0.001 0.000 0.301 116 F C 1.679 177.583 175.800 0.173 0.000 1.250 116 F CA 0.183 58.308 58.000 0.208 0.000 1.441 116 F CB -0.192 38.900 39.000 0.153 0.000 1.112 116 F HN -0.024 nan 8.300 nan 0.000 0.563 117 S N -0.772 115.153 115.700 0.374 0.000 2.520 117 S HA 0.118 4.588 4.470 0.001 0.000 0.219 117 S C 0.455 175.203 174.600 0.248 0.000 1.028 117 S CA -0.126 58.238 58.200 0.274 0.000 0.921 117 S CB 0.613 63.969 63.200 0.260 0.000 0.844 117 S HN -0.058 nan 8.310 nan 0.000 0.495 118 V N 5.182 125.270 119.914 0.290 0.000 2.370 118 V HA 0.354 4.474 4.120 0.001 0.000 0.279 118 V C -2.311 173.893 176.094 0.184 0.000 1.029 118 V CA -2.396 60.033 62.300 0.215 0.000 0.870 118 V CB 0.841 32.792 31.823 0.212 0.000 0.984 118 V HN 0.138 nan 8.190 nan 0.000 0.451 119 P HA 0.095 nan 4.420 nan 0.000 0.268 119 P C -0.791 176.569 177.300 0.100 0.000 1.208 119 P CA -0.254 62.913 63.100 0.113 0.000 0.777 119 P CB 1.369 33.122 31.700 0.089 0.000 0.875 120 L N 3.071 124.346 121.223 0.087 0.000 2.317 120 L HA 0.322 4.662 4.340 0.001 0.000 0.281 120 L C 0.220 177.125 176.870 0.058 0.000 1.024 120 L CA -0.565 54.306 54.840 0.052 0.000 0.810 120 L CB 0.686 42.759 42.059 0.024 0.000 1.240 120 L HN 0.410 nan 8.230 nan 0.000 0.427 121 D N 2.747 123.184 120.400 0.061 0.000 2.525 121 D HA -0.143 4.497 4.640 0.001 0.000 0.235 121 D C 0.699 177.049 176.300 0.084 0.000 1.137 121 D CA 0.177 54.225 54.000 0.080 0.000 0.868 121 D CB 0.921 41.779 40.800 0.096 0.000 1.180 121 D HN 0.760 nan 8.370 nan 0.000 0.465 122 E N 2.005 122.241 120.200 0.062 0.000 2.136 122 E HA -0.273 4.078 4.350 0.001 0.000 0.202 122 E C 0.934 177.550 176.600 0.026 0.000 1.019 122 E CA 2.191 58.615 56.400 0.039 0.000 0.819 122 E CB 0.075 29.794 29.700 0.030 0.000 0.739 122 E HN 0.539 nan 8.360 nan 0.000 0.458 123 D N -1.236 119.195 120.400 0.052 0.000 2.289 123 D HA -0.079 4.562 4.640 0.001 0.000 0.207 123 D C 1.458 177.757 176.300 -0.002 0.000 0.966 123 D CA 0.383 54.397 54.000 0.023 0.000 0.868 123 D CB -0.181 40.656 40.800 0.061 0.000 0.943 123 D HN 0.251 nan 8.370 nan 0.000 0.514 124 F N 2.046 121.967 119.950 -0.048 0.000 2.416 124 F HA 0.049 4.576 4.527 0.001 0.000 0.296 124 F C 2.198 177.897 175.800 -0.168 0.000 1.099 124 F CA 0.482 58.470 58.000 -0.021 0.000 1.427 124 F CB 0.166 39.152 39.000 -0.023 0.000 1.079 124 F HN -0.271 nan 8.300 nan 0.000 0.536 125 R N 0.652 121.138 120.500 -0.023 0.000 2.153 125 R HA -0.269 4.072 4.340 0.001 0.000 0.252 125 R C 1.949 178.130 176.300 -0.199 0.000 1.158 125 R CA 2.167 58.232 56.100 -0.059 0.000 0.975 125 R CB -0.526 29.767 30.300 -0.011 0.000 0.871 125 R HN 0.296 nan 8.270 nan 0.000 0.450 126 K N -0.378 119.769 120.400 -0.423 0.000 2.173 126 K HA -0.215 4.105 4.320 0.001 0.000 0.207 126 K C 1.714 177.970 176.600 -0.572 0.000 1.046 126 K CA 1.839 57.825 56.287 -0.502 0.000 0.929 126 K CB -0.285 31.793 32.500 -0.702 0.000 0.720 126 K HN 0.310 nan 8.250 nan 0.000 0.453 127 Y N 0.754 120.751 120.300 -0.506 0.000 2.395 127 Y HA -0.070 4.480 4.550 0.001 0.000 0.293 127 Y C 2.393 178.252 175.900 -0.068 0.000 1.123 127 Y CA 0.996 58.772 58.100 -0.540 0.000 1.227 127 Y CB -0.970 37.016 38.460 -0.790 0.000 1.012 127 Y HN 0.114 nan 8.280 nan 0.000 0.552 128 T N -1.290 113.357 114.554 0.156 0.000 3.400 128 T HA 0.328 4.679 4.350 0.001 0.000 0.254 128 T C 0.777 175.808 174.700 0.551 0.000 1.153 128 T CA 0.092 62.468 62.100 0.460 0.000 1.012 128 T CB -0.991 68.085 68.868 0.345 0.000 0.994 128 T HN 0.244 nan 8.240 nan 0.000 0.555 129 A N 1.640 124.669 122.820 0.347 0.000 2.477 129 A HA 0.578 4.899 4.320 0.001 0.000 0.246 129 A C -0.028 177.761 177.584 0.342 0.000 1.078 129 A CA -0.669 51.535 52.037 0.279 0.000 0.770 129 A CB -0.330 18.780 19.000 0.184 0.000 1.011 129 A HN 0.751 nan 8.150 nan 0.000 0.494 130 F N -0.500 119.516 119.950 0.110 0.000 2.726 130 F HA 0.868 5.396 4.527 0.001 0.000 0.324 130 F C -0.425 175.396 175.800 0.035 0.000 1.140 130 F CA -0.902 57.121 58.000 0.039 0.000 0.964 130 F CB 1.269 40.287 39.000 0.030 0.000 1.399 130 F HN 0.339 nan 8.300 nan 0.000 0.491 131 T N 2.116 116.751 114.554 0.135 0.000 2.921 131 T HA 0.513 4.864 4.350 0.001 0.000 0.297 131 T C -0.924 173.841 174.700 0.108 0.000 1.013 131 T CA -0.402 61.689 62.100 -0.016 0.000 0.990 131 T CB 1.527 70.368 68.868 -0.045 0.000 1.023 131 T HN 0.595 nan 8.240 nan 0.000 0.447 132 I N 4.839 125.457 120.570 0.080 0.000 2.297 132 I HA 0.271 4.441 4.170 0.001 0.000 0.291 132 I C -2.134 174.004 176.117 0.035 0.000 1.033 132 I CA -2.359 59.010 61.300 0.116 0.000 1.253 132 I CB 1.576 39.682 38.000 0.177 0.000 1.396 132 I HN 0.294 nan 8.210 nan 0.000 0.476 133 P HA -0.013 nan 4.420 nan 0.000 0.269 133 P C -0.499 176.804 177.300 0.004 0.000 1.217 133 P CA 0.018 63.120 63.100 0.003 0.000 0.783 133 P CB 0.616 32.320 31.700 0.007 0.000 0.898 134 S N 1.020 116.718 115.700 -0.003 0.000 2.525 134 S HA 0.301 4.771 4.470 0.001 0.000 0.290 134 S C 0.885 175.486 174.600 0.002 0.000 1.152 134 S CA -0.539 57.659 58.200 -0.004 0.000 1.072 134 S CB 0.095 63.288 63.200 -0.011 0.000 1.027 134 S HN 0.325 nan 8.310 nan 0.000 0.500 135 I N 4.386 124.957 120.570 0.002 0.000 2.480 135 I HA 0.045 4.215 4.170 0.001 0.000 0.251 135 I C 1.490 177.610 176.117 0.005 0.000 1.124 135 I CA 1.223 62.526 61.300 0.006 0.000 1.444 135 I CB -0.532 37.470 38.000 0.004 0.000 1.098 135 I HN 0.843 nan 8.210 nan 0.000 0.428 136 N N 1.094 119.795 118.700 0.002 0.000 2.666 136 N HA -0.162 4.578 4.740 0.001 0.000 0.194 136 N C 0.190 175.701 175.510 0.001 0.000 1.220 136 N CA 0.571 53.622 53.050 0.002 0.000 0.928 136 N CB -1.249 37.237 38.487 -0.001 0.000 0.997 136 N HN 0.337 nan 8.380 nan 0.000 0.447 137 N N -0.058 118.643 118.700 0.002 0.000 2.701 137 N HA -0.235 4.505 4.740 0.001 0.000 0.250 137 N C 0.095 175.604 175.510 -0.002 0.000 1.046 137 N CA 1.435 54.486 53.050 0.003 0.000 0.733 137 N CB -0.838 37.653 38.487 0.007 0.000 0.973 137 N HN 0.871 nan 8.380 nan 0.000 0.541 138 E N -1.697 118.499 120.200 -0.006 0.000 2.949 138 E HA 0.109 4.460 4.350 0.001 0.000 0.182 138 E C -0.035 176.556 176.600 -0.016 0.000 1.154 138 E CA -0.315 56.079 56.400 -0.010 0.000 1.205 138 E CB -0.496 29.198 29.700 -0.009 0.000 1.865 138 E HN -0.018 nan 8.360 nan 0.000 0.516 139 T N 4.208 118.751 114.554 -0.019 0.000 2.891 139 T HA 0.053 4.403 4.350 0.001 0.000 0.296 139 T C -2.364 172.316 174.700 -0.034 0.000 1.025 139 T CA -0.428 61.655 62.100 -0.028 0.000 1.149 139 T CB 0.215 69.065 68.868 -0.029 0.000 1.007 139 T HN 0.076 nan 8.240 nan 0.000 0.528 140 P HA 0.176 nan 4.420 nan 0.000 0.263 140 P C 0.633 177.895 177.300 -0.064 0.000 1.195 140 P CA -0.089 62.980 63.100 -0.050 0.000 0.762 140 P CB 0.292 31.957 31.700 -0.058 0.000 0.799 141 G N 3.707 112.472 108.800 -0.058 0.000 2.568 141 G HA2 0.031 3.992 3.960 0.001 0.000 0.231 141 G HA3 0.031 3.992 3.960 0.001 0.000 0.231 141 G C -0.010 174.819 174.900 -0.117 0.000 1.261 141 G CA -0.486 44.575 45.100 -0.065 0.000 0.855 141 G HN 0.466 nan 8.290 nan 0.000 0.576 142 I N 0.952 121.440 120.570 -0.136 0.000 2.441 142 I HA 0.245 4.415 4.170 0.001 0.000 0.287 142 I C 0.753 176.629 176.117 -0.402 0.000 1.049 142 I CA -0.071 61.056 61.300 -0.287 0.000 1.381 142 I CB 0.840 38.668 38.000 -0.287 0.000 1.409 142 I HN 0.326 nan 8.210 nan 0.000 0.523 143 R N 5.876 126.060 120.500 -0.528 0.000 2.445 143 R HA 0.639 4.979 4.340 0.001 0.000 0.308 143 R C -1.433 174.443 176.300 -0.708 0.000 0.961 143 R CA -0.636 55.159 56.100 -0.508 0.000 0.862 143 R CB 1.596 31.715 30.300 -0.301 0.000 1.144 143 R HN 0.462 nan 8.270 nan 0.000 0.447 144 Y N 0.034 119.954 120.300 -0.633 0.000 2.705 144 Y HA 0.338 4.888 4.550 0.001 0.000 0.332 144 Y C -0.267 175.361 175.900 -0.454 0.000 1.157 144 Y CA -1.052 56.726 58.100 -0.537 0.000 1.091 144 Y CB 1.918 40.017 38.460 -0.602 0.000 1.301 144 Y HN 0.470 nan 8.280 nan 0.000 0.488 145 Q N -0.802 119.006 119.800 0.014 0.000 2.418 145 Q HA 0.506 4.846 4.340 0.001 0.000 0.282 145 Q C -2.183 173.912 176.000 0.159 0.000 1.044 145 Q CA -1.118 54.791 55.803 0.177 0.000 0.813 145 Q CB 1.953 30.753 28.738 0.103 0.000 1.428 145 Q HN 0.565 nan 8.270 nan 0.000 0.402 146 Y N 1.197 121.609 120.300 0.187 0.000 2.336 146 Y HA 0.222 4.772 4.550 0.001 0.000 0.331 146 Y C 0.800 176.719 175.900 0.031 0.000 1.211 146 Y CA 0.205 58.362 58.100 0.094 0.000 1.346 146 Y CB 0.856 39.364 38.460 0.080 0.000 1.271 146 Y HN 0.731 nan 8.280 nan 0.000 0.538 147 N N 0.807 119.572 118.700 0.107 0.000 2.170 147 N HA 0.145 4.886 4.740 0.001 0.000 0.222 147 N C -1.155 174.423 175.510 0.114 0.000 1.218 147 N CA 0.337 53.434 53.050 0.078 0.000 0.889 147 N CB 1.135 39.634 38.487 0.020 0.000 1.083 147 N HN 0.348 nan 8.380 nan 0.000 0.520 148 V N -2.499 117.535 119.914 0.199 0.000 3.159 148 V HA 0.518 4.639 4.120 0.001 0.000 0.308 148 V C -0.054 176.222 176.094 0.303 0.000 1.190 148 V CA -1.212 61.231 62.300 0.238 0.000 1.037 148 V CB 1.772 33.753 31.823 0.264 0.000 1.060 148 V HN -0.130 nan 8.190 nan 0.000 0.437 149 L N 4.144 125.522 121.223 0.258 0.000 2.745 149 L HA 0.203 4.543 4.340 0.001 0.000 0.273 149 L C -1.877 175.157 176.870 0.274 0.000 1.156 149 L CA -0.614 54.329 54.840 0.172 0.000 0.982 149 L CB -0.036 42.045 42.059 0.037 0.000 1.295 149 L HN 0.553 nan 8.230 nan 0.000 0.483 150 P HA 0.015 nan 4.420 nan 0.000 0.275 150 P C -0.890 176.505 177.300 0.158 0.000 1.227 150 P CA -0.540 62.359 63.100 -0.335 0.000 0.781 150 P CB 0.919 32.008 31.700 -1.017 0.000 0.906 151 Q N 1.120 121.116 119.800 0.325 0.000 2.296 151 Q HA 0.404 4.745 4.340 0.001 0.000 0.263 151 Q C 1.034 177.183 176.000 0.248 0.000 1.026 151 Q CA 0.896 56.892 55.803 0.322 0.000 0.912 151 Q CB -0.264 28.581 28.738 0.178 0.000 1.198 151 Q HN 0.865 nan 8.270 nan 0.000 0.407 152 G N 3.180 112.143 108.800 0.272 0.000 2.192 152 G HA2 -0.214 3.746 3.960 0.001 0.000 0.193 152 G HA3 -0.214 3.746 3.960 0.001 0.000 0.193 152 G C -0.818 174.312 174.900 0.384 0.000 0.999 152 G CA -0.398 44.876 45.100 0.290 0.000 0.659 152 G HN 0.615 nan 8.290 nan 0.000 0.503 153 W N 2.139 123.456 121.300 0.028 0.000 2.313 153 W HA 0.668 5.328 4.660 0.001 0.000 0.328 153 W C 1.154 177.606 176.519 -0.112 0.000 1.197 153 W CA -0.880 56.352 57.345 -0.188 0.000 1.235 153 W CB 1.054 30.214 29.460 -0.499 0.000 1.158 153 W HN -0.056 nan 8.180 nan 0.000 0.578 154 K N 2.214 122.294 120.400 -0.532 0.000 2.103 154 K HA -0.141 4.180 4.320 0.001 0.000 0.207 154 K C 1.630 177.691 176.600 -0.898 0.000 1.048 154 K CA 1.888 57.859 56.287 -0.527 0.000 0.930 154 K CB -0.499 31.825 32.500 -0.294 0.000 0.716 154 K HN 0.776 nan 8.250 nan 0.000 0.444 155 G N -0.183 107.527 108.800 -1.818 0.000 2.662 155 G HA2 -0.115 3.846 3.960 0.001 0.000 0.212 155 G HA3 -0.115 3.846 3.960 0.001 0.000 0.212 155 G C 1.422 175.542 174.900 -1.299 0.000 1.141 155 G CA 0.536 44.401 45.100 -2.058 0.000 0.797 155 G HN 0.391 nan 8.290 nan 0.000 0.531 156 S N 2.095 117.316 115.700 -0.799 0.000 2.389 156 S HA -0.168 4.303 4.470 0.001 0.000 0.231 156 S C -0.054 174.183 174.600 -0.604 0.000 1.052 156 S CA 1.650 59.540 58.200 -0.518 0.000 1.053 156 S CB -1.527 61.367 63.200 -0.509 0.000 0.886 156 S HN 0.300 nan 8.310 nan 0.000 0.456 157 P HA -0.034 nan 4.420 nan 0.000 0.213 157 P C 1.920 179.076 177.300 -0.240 0.000 1.170 157 P CA 1.850 64.804 63.100 -0.242 0.000 0.898 157 P CB -0.357 31.227 31.700 -0.192 0.000 0.787 158 A N -0.845 121.747 122.820 -0.380 0.000 1.940 158 A HA -0.191 4.129 4.320 0.001 0.000 0.219 158 A C 2.227 179.652 177.584 -0.264 0.000 1.176 158 A CA 1.535 53.376 52.037 -0.326 0.000 0.631 158 A CB -1.646 17.101 19.000 -0.422 0.000 0.814 158 A HN 0.111 nan 8.150 nan 0.000 0.446 159 I N -2.174 118.201 120.570 -0.325 0.000 2.202 159 I HA -0.197 3.973 4.170 0.001 0.000 0.242 159 I C 2.375 178.408 176.117 -0.141 0.000 1.091 159 I CA 1.516 62.695 61.300 -0.201 0.000 1.368 159 I CB -0.477 37.424 38.000 -0.165 0.000 1.058 159 I HN 0.426 nan 8.210 nan 0.000 0.410 160 F N 2.136 121.950 119.950 -0.227 0.000 2.069 160 F HA -0.284 4.243 4.527 0.001 0.000 0.298 160 F C 2.677 178.426 175.800 -0.086 0.000 1.113 160 F CA 1.861 59.785 58.000 -0.127 0.000 1.214 160 F CB -0.384 38.565 39.000 -0.085 0.000 0.978 160 F HN 0.048 nan 8.300 nan 0.000 0.474 161 Q N -0.765 119.012 119.800 -0.038 0.000 2.135 161 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 161 Q C 2.444 178.331 176.000 -0.188 0.000 0.981 161 Q CA 1.778 57.519 55.803 -0.103 0.000 0.856 161 Q CB -0.577 28.121 28.738 -0.067 0.000 0.902 161 Q HN 0.423 nan 8.270 nan 0.000 0.425 162 S N 0.097 115.694 115.700 -0.171 0.000 2.348 162 S HA -0.158 4.312 4.470 0.001 0.000 0.221 162 S C 2.069 176.560 174.600 -0.181 0.000 1.033 162 S CA 1.505 59.620 58.200 -0.143 0.000 1.010 162 S CB -0.164 62.973 63.200 -0.104 0.000 0.891 162 S HN 0.356 nan 8.310 nan 0.000 0.442 163 S N 1.445 117.004 115.700 -0.235 0.000 2.356 163 S HA -0.132 4.338 4.470 0.001 0.000 0.223 163 S C 1.856 176.263 174.600 -0.321 0.000 1.032 163 S CA 1.659 59.713 58.200 -0.245 0.000 1.005 163 S CB -0.528 62.528 63.200 -0.240 0.000 0.867 163 S HN 0.573 nan 8.310 nan 0.000 0.449 164 M N 2.462 121.775 119.600 -0.478 0.000 2.082 164 M HA -0.156 4.324 4.480 0.001 0.000 0.258 164 M C 1.885 178.037 176.300 -0.246 0.000 1.069 164 M CA 1.928 56.974 55.300 -0.424 0.000 1.102 164 M CB -1.540 30.759 32.600 -0.502 0.000 1.336 164 M HN 0.294 nan 8.290 nan 0.000 0.404 165 T N -0.096 114.338 114.554 -0.200 0.000 2.708 165 T HA -0.161 4.189 4.350 0.001 0.000 0.266 165 T C 1.909 176.514 174.700 -0.158 0.000 1.037 165 T CA 1.603 63.618 62.100 -0.141 0.000 1.146 165 T CB -0.389 68.412 68.868 -0.111 0.000 0.865 165 T HN 0.443 nan 8.240 nan 0.000 0.435 166 K N 0.655 120.945 120.400 -0.183 0.000 2.103 166 K HA -0.045 4.276 4.320 0.001 0.000 0.207 166 K C 2.245 178.648 176.600 -0.328 0.000 1.048 166 K CA 1.152 57.317 56.287 -0.203 0.000 0.930 166 K CB -0.318 32.078 32.500 -0.173 0.000 0.716 166 K HN 0.375 nan 8.250 nan 0.000 0.444 167 I N 0.827 121.164 120.570 -0.388 0.000 2.286 167 I HA -0.274 3.896 4.170 0.001 0.000 0.245 167 I C 2.096 178.047 176.117 -0.276 0.000 1.104 167 I CA 0.959 61.907 61.300 -0.587 0.000 1.397 167 I CB -0.135 37.597 38.000 -0.446 0.000 1.072 167 I HN 0.123 nan 8.210 nan 0.000 0.417 168 L N 0.271 121.409 121.223 -0.141 0.000 2.217 168 L HA -0.161 4.179 4.340 0.001 0.000 0.211 168 L C 2.416 179.256 176.870 -0.049 0.000 1.107 168 L CA 0.827 55.645 54.840 -0.037 0.000 0.783 168 L CB -0.598 41.438 42.059 -0.038 0.000 0.919 168 L HN 0.294 nan 8.230 nan 0.000 0.442 169 E N 0.749 120.890 120.200 -0.100 0.000 2.110 169 E HA -0.283 4.067 4.350 0.001 0.000 0.225 169 E C -0.556 175.997 176.600 -0.077 0.000 1.063 169 E CA 2.673 59.021 56.400 -0.086 0.000 0.906 169 E CB -0.837 28.802 29.700 -0.102 0.000 0.795 169 E HN 0.322 nan 8.360 nan 0.000 0.479 170 P HA -0.207 nan 4.420 nan 0.000 0.215 170 P C 1.533 178.747 177.300 -0.144 0.000 1.157 170 P CA 1.456 64.509 63.100 -0.078 0.000 0.874 170 P CB -0.371 31.330 31.700 0.001 0.000 0.790 171 F N 1.465 121.195 119.950 -0.367 0.000 2.069 171 F HA -0.152 4.376 4.527 0.001 0.000 0.298 171 F C 2.504 178.187 175.800 -0.194 0.000 1.113 171 F CA 1.841 59.629 58.000 -0.354 0.000 1.214 171 F CB -0.601 38.103 39.000 -0.493 0.000 0.978 171 F HN -0.256 nan 8.300 nan 0.000 0.474 172 K N 0.209 120.617 120.400 0.014 0.000 2.044 172 K HA -0.305 4.015 4.320 0.001 0.000 0.210 172 K C 2.109 178.634 176.600 -0.124 0.000 1.049 172 K CA 2.153 58.430 56.287 -0.017 0.000 0.927 172 K CB -0.285 32.219 32.500 0.006 0.000 0.713 172 K HN 0.196 nan 8.250 nan 0.000 0.443 173 K N 0.942 121.270 120.400 -0.120 0.000 2.147 173 K HA -0.189 4.131 4.320 0.001 0.000 0.205 173 K C 1.766 178.275 176.600 -0.152 0.000 1.049 173 K CA 1.655 57.874 56.287 -0.113 0.000 0.936 173 K CB -0.015 32.434 32.500 -0.085 0.000 0.722 173 K HN 0.108 nan 8.250 nan 0.000 0.446 174 Q N -0.556 119.104 119.800 -0.234 0.000 2.319 174 Q HA 0.131 4.471 4.340 0.001 0.000 0.202 174 Q C -0.302 175.504 176.000 -0.323 0.000 0.896 174 Q CA 0.047 55.700 55.803 -0.250 0.000 0.942 174 Q CB 0.506 29.094 28.738 -0.249 0.000 1.083 174 Q HN 0.325 nan 8.270 nan 0.000 0.510 175 N N 0.650 119.112 118.700 -0.397 0.000 2.646 175 N HA 0.118 4.858 4.740 0.001 0.000 0.303 175 N C -2.248 173.139 175.510 -0.205 0.000 1.921 175 N CA -0.762 52.067 53.050 -0.369 0.000 0.872 175 N CB 1.362 39.449 38.487 -0.667 0.000 1.327 175 N HN 0.199 nan 8.380 nan 0.000 0.492 176 P HA -0.131 nan 4.420 nan 0.000 0.218 176 P C 0.321 177.587 177.300 -0.056 0.000 1.146 176 P CA 1.231 64.281 63.100 -0.084 0.000 0.813 176 P CB 0.454 32.110 31.700 -0.073 0.000 0.778 177 D N -0.348 120.016 120.400 -0.061 0.000 2.336 177 D HA 0.139 4.779 4.640 0.001 0.000 0.229 177 D C 0.775 177.062 176.300 -0.022 0.000 1.061 177 D CA 0.382 54.361 54.000 -0.035 0.000 0.875 177 D CB 0.089 40.869 40.800 -0.034 0.000 0.904 177 D HN 0.339 nan 8.370 nan 0.000 0.525 178 I N 1.068 121.624 120.570 -0.024 0.000 2.389 178 I HA 0.118 4.288 4.170 0.001 0.000 0.288 178 I C 0.090 176.230 176.117 0.039 0.000 0.999 178 I CA -0.759 60.544 61.300 0.004 0.000 1.129 178 I CB 2.470 40.478 38.000 0.014 0.000 1.288 178 I HN -0.382 nan 8.210 nan 0.000 0.444 179 V N 7.741 127.691 119.914 0.059 0.000 2.686 179 V HA 0.242 4.362 4.120 0.001 0.000 0.295 179 V C 0.278 176.452 176.094 0.134 0.000 1.055 179 V CA 0.199 62.558 62.300 0.097 0.000 1.050 179 V CB 1.333 33.250 31.823 0.156 0.000 0.984 179 V HN 0.483 nan 8.190 nan 0.000 0.482 180 I N 4.889 125.530 120.570 0.118 0.000 2.714 180 I HA 0.209 4.380 4.170 0.001 0.000 0.274 180 I C -1.236 174.964 176.117 0.137 0.000 1.261 180 I CA -0.450 60.933 61.300 0.139 0.000 1.008 180 I CB 0.895 38.943 38.000 0.079 0.000 1.289 180 I HN 0.485 nan 8.210 nan 0.000 0.529 181 Y N 5.052 125.382 120.300 0.050 0.000 2.730 181 Y HA 0.041 4.592 4.550 0.001 0.000 0.354 181 Y C 1.051 177.054 175.900 0.171 0.000 1.139 181 Y CA 0.117 58.242 58.100 0.042 0.000 1.516 181 Y CB 0.272 38.645 38.460 -0.146 0.000 1.204 181 Y HN 0.474 nan 8.280 nan 0.000 0.520 182 Q N 3.212 123.138 119.800 0.211 0.000 2.256 182 Q HA 0.390 4.731 4.340 0.001 0.000 0.257 182 Q C -1.765 174.411 176.000 0.293 0.000 0.936 182 Q CA -1.020 54.921 55.803 0.229 0.000 0.903 182 Q CB 1.796 30.602 28.738 0.114 0.000 1.263 182 Q HN 0.672 nan 8.270 nan 0.000 0.440 183 Y N 4.600 125.001 120.300 0.169 0.000 2.400 183 Y HA 0.301 4.851 4.550 0.001 0.000 0.335 183 Y C -0.003 175.963 175.900 0.109 0.000 1.066 183 Y CA -0.583 57.585 58.100 0.114 0.000 1.285 183 Y CB 1.014 39.529 38.460 0.091 0.000 1.103 183 Y HN 1.095 nan 8.280 nan 0.000 0.490 184 M N 2.099 121.622 119.600 -0.129 0.000 7.319 184 M HA -0.345 4.135 4.480 0.001 0.000 0.285 184 M C 0.454 176.937 176.300 0.304 0.000 0.480 184 M CA 2.818 58.127 55.300 0.015 0.000 1.311 184 M CB -1.051 31.439 32.600 -0.184 0.000 0.421 184 M HN 0.685 nan 8.290 nan 0.000 0.462 185 D N -0.522 119.951 120.400 0.122 0.000 2.398 185 D HA 0.269 4.910 4.640 0.001 0.000 0.210 185 D C -0.240 176.155 176.300 0.158 0.000 1.094 185 D CA 0.341 54.457 54.000 0.193 0.000 0.839 185 D CB -0.433 40.298 40.800 -0.115 0.000 0.963 185 D HN 0.526 nan 8.370 nan 0.000 0.506 186 D N 0.558 121.063 120.400 0.175 0.000 2.277 186 D HA 0.328 4.968 4.640 0.001 0.000 0.249 186 D C -0.607 175.849 176.300 0.260 0.000 1.134 186 D CA -0.289 53.833 54.000 0.204 0.000 0.863 186 D CB 0.921 41.864 40.800 0.238 0.000 1.143 186 D HN 0.044 nan 8.370 nan 0.000 0.458 187 L N 3.988 125.334 121.223 0.206 0.000 2.333 187 L HA 0.351 4.691 4.340 0.001 0.000 0.280 187 L C -1.124 175.851 176.870 0.175 0.000 1.004 187 L CA -1.258 53.697 54.840 0.192 0.000 0.820 187 L CB 1.411 43.530 42.059 0.100 0.000 1.247 187 L HN 0.440 nan 8.230 nan 0.000 0.416 188 Y N 4.079 124.387 120.300 0.013 0.000 2.334 188 Y HA 0.556 5.106 4.550 0.001 0.000 0.336 188 Y C -0.988 174.822 175.900 -0.150 0.000 0.960 188 Y CA -0.998 56.972 58.100 -0.216 0.000 1.164 188 Y CB 1.472 39.566 38.460 -0.611 0.000 1.155 188 Y HN 0.215 nan 8.280 nan 0.000 0.478 189 V N 6.775 126.563 119.914 -0.211 0.000 2.328 189 V HA 0.638 4.758 4.120 0.001 0.000 0.278 189 V C 0.487 176.458 176.094 -0.205 0.000 1.021 189 V CA -0.387 61.854 62.300 -0.099 0.000 0.838 189 V CB 0.996 32.761 31.823 -0.097 0.000 0.999 189 V HN 1.011 nan 8.190 nan 0.000 0.447 190 G N 2.764 111.563 108.800 -0.002 0.000 2.371 190 G HA2 0.642 4.602 3.960 0.001 0.000 0.326 190 G HA3 0.642 4.602 3.960 0.001 0.000 0.326 190 G C -0.558 174.371 174.900 0.048 0.000 1.127 190 G CA -0.342 44.765 45.100 0.011 0.000 0.885 190 G HN 0.784 nan 8.290 nan 0.000 0.477 191 S N 0.028 115.791 115.700 0.104 0.000 2.579 191 S HA 0.459 4.929 4.470 0.001 0.000 0.272 191 S C -1.252 173.414 174.600 0.109 0.000 1.141 191 S CA -0.749 57.516 58.200 0.108 0.000 0.843 191 S CB 2.227 65.510 63.200 0.138 0.000 1.122 191 S HN 0.362 nan 8.310 nan 0.000 0.468 192 D N 2.398 122.838 120.400 0.067 0.000 2.755 192 D HA 0.354 4.995 4.640 0.001 0.000 0.257 192 D C -0.273 176.058 176.300 0.052 0.000 1.291 192 D CA 0.125 54.154 54.000 0.047 0.000 0.836 192 D CB 0.150 40.965 40.800 0.026 0.000 1.059 192 D HN 0.409 nan 8.370 nan 0.000 0.486 193 L N 0.249 121.526 121.223 0.090 0.000 2.331 193 L HA 0.317 4.657 4.340 0.001 0.000 0.268 193 L C 0.959 177.877 176.870 0.079 0.000 1.015 193 L CA -0.953 53.939 54.840 0.085 0.000 0.807 193 L CB 1.356 43.483 42.059 0.113 0.000 1.293 193 L HN -0.196 nan 8.230 nan 0.000 0.451 194 E N 0.332 120.568 120.200 0.059 0.000 2.371 194 E HA 0.039 4.390 4.350 0.001 0.000 0.257 194 E C 0.828 177.453 176.600 0.041 0.000 1.134 194 E CA -0.277 56.144 56.400 0.036 0.000 0.919 194 E CB 1.118 30.834 29.700 0.027 0.000 1.025 194 E HN 0.422 nan 8.360 nan 0.000 0.438 195 I N 2.141 122.713 120.570 0.004 0.000 2.074 195 I HA -0.297 3.873 4.170 0.001 0.000 0.238 195 I C 1.941 178.080 176.117 0.036 0.000 1.037 195 I CA 2.636 63.927 61.300 -0.015 0.000 1.301 195 I CB -0.891 37.100 38.000 -0.015 0.000 1.016 195 I HN 0.698 nan 8.210 nan 0.000 0.400 196 G N -0.839 107.983 108.800 0.036 0.000 2.586 196 G HA2 -0.355 3.606 3.960 0.001 0.000 0.218 196 G HA3 -0.355 3.606 3.960 0.001 0.000 0.218 196 G C 1.540 176.482 174.900 0.070 0.000 1.216 196 G CA 1.154 46.282 45.100 0.047 0.000 0.786 196 G HN 0.609 nan 8.290 nan 0.000 0.583 197 Q N -0.953 118.890 119.800 0.072 0.000 2.167 197 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 197 Q C 2.221 178.289 176.000 0.113 0.000 0.970 197 Q CA 1.302 57.150 55.803 0.075 0.000 0.855 197 Q CB -0.184 28.586 28.738 0.053 0.000 0.911 197 Q HN 0.878 nan 8.270 nan 0.000 0.438 198 H N 0.634 119.715 119.070 0.018 0.000 2.333 198 H HA 0.034 4.590 4.556 0.001 0.000 0.302 198 H C 1.913 177.257 175.328 0.027 0.000 1.075 198 H CA 1.023 57.082 56.048 0.019 0.000 1.348 198 H CB 0.297 30.061 29.762 0.003 0.000 1.393 198 H HN -0.009 nan 8.280 nan 0.000 0.509 199 R N -0.290 120.395 120.500 0.309 0.000 2.249 199 R HA -0.086 4.254 4.340 0.001 0.000 0.230 199 R C 1.850 178.230 176.300 0.133 0.000 1.121 199 R CA 1.577 57.808 56.100 0.218 0.000 0.997 199 R CB -0.017 30.352 30.300 0.115 0.000 0.867 199 R HN 0.412 nan 8.270 nan 0.000 0.465 200 T N 0.405 115.024 114.554 0.108 0.000 2.894 200 T HA 0.002 4.352 4.350 0.001 0.000 0.258 200 T C 1.622 176.370 174.700 0.080 0.000 1.043 200 T CA 0.556 62.704 62.100 0.079 0.000 1.141 200 T CB 0.113 69.020 68.868 0.064 0.000 0.873 200 T HN 0.007 nan 8.240 nan 0.000 0.449 201 K N 1.104 121.543 120.400 0.064 0.000 2.148 201 K HA 0.123 4.443 4.320 0.001 0.000 0.204 201 K C 2.047 178.695 176.600 0.080 0.000 1.050 201 K CA 0.672 57.011 56.287 0.087 0.000 0.942 201 K CB -0.595 31.918 32.500 0.022 0.000 0.724 201 K HN 0.264 nan 8.250 nan 0.000 0.446 202 I N 1.336 121.912 120.570 0.009 0.000 2.614 202 I HA -0.206 3.964 4.170 0.001 0.000 0.258 202 I C 2.160 178.284 176.117 0.012 0.000 1.189 202 I CA 1.090 62.386 61.300 -0.008 0.000 1.462 202 I CB 0.001 38.056 38.000 0.092 0.000 1.092 202 I HN 0.109 nan 8.210 nan 0.000 0.442 203 E N 0.693 120.924 120.200 0.051 0.000 2.060 203 E HA -0.153 4.197 4.350 0.001 0.000 0.189 203 E C 1.993 178.629 176.600 0.060 0.000 0.974 203 E CA 1.343 57.774 56.400 0.053 0.000 0.808 203 E CB -0.159 29.580 29.700 0.064 0.000 0.768 203 E HN 0.487 nan 8.360 nan 0.000 0.453 204 E N 0.115 120.377 120.200 0.105 0.000 2.085 204 E HA -0.199 4.151 4.350 0.001 0.000 0.194 204 E C 2.013 178.693 176.600 0.133 0.000 0.994 204 E CA 1.180 57.686 56.400 0.177 0.000 0.801 204 E CB -0.241 29.625 29.700 0.276 0.000 0.743 204 E HN 0.215 nan 8.360 nan 0.000 0.453 205 L N 1.463 122.620 121.223 -0.111 0.000 1.994 205 L HA -0.185 4.155 4.340 0.001 0.000 0.208 205 L C 2.145 178.894 176.870 -0.202 0.000 1.071 205 L CA 1.802 56.252 54.840 -0.649 0.000 0.745 205 L CB -0.392 41.110 42.059 -0.929 0.000 0.892 205 L HN -0.085 nan 8.230 nan 0.000 0.431 206 R N -0.858 119.584 120.500 -0.096 0.000 2.096 206 R HA -0.231 4.109 4.340 0.001 0.000 0.240 206 R C 2.376 178.698 176.300 0.038 0.000 1.139 206 R CA 2.215 58.305 56.100 -0.016 0.000 0.952 206 R CB -0.437 29.868 30.300 0.008 0.000 0.854 206 R HN 0.571 nan 8.270 nan 0.000 0.436 207 Q N -1.084 118.756 119.800 0.067 0.000 2.050 207 Q HA -0.244 4.096 4.340 0.001 0.000 0.202 207 Q C 2.042 178.123 176.000 0.135 0.000 0.980 207 Q CA 1.990 57.849 55.803 0.093 0.000 0.840 207 Q CB -0.215 28.584 28.738 0.102 0.000 0.898 207 Q HN 0.475 nan 8.270 nan 0.000 0.424 208 H N 0.339 119.467 119.070 0.096 0.000 2.289 208 H HA -0.181 4.375 4.556 0.001 0.000 0.296 208 H C 1.794 177.254 175.328 0.219 0.000 1.091 208 H CA 2.044 58.203 56.048 0.184 0.000 1.274 208 H CB -0.305 29.561 29.762 0.173 0.000 1.364 208 H HN 0.149 nan 8.280 nan 0.000 0.490 209 L N -0.648 120.617 121.223 0.071 0.000 1.989 209 L HA -0.177 4.164 4.340 0.001 0.000 0.211 209 L C 2.644 179.550 176.870 0.061 0.000 1.071 209 L CA 1.357 56.215 54.840 0.029 0.000 0.749 209 L CB -0.593 41.493 42.059 0.045 0.000 0.890 209 L HN 0.337 nan 8.230 nan 0.000 0.431 210 L N -0.055 121.202 121.223 0.057 0.000 2.012 210 L HA -0.251 4.089 4.340 0.001 0.000 0.210 210 L C 2.710 179.598 176.870 0.029 0.000 1.073 210 L CA 1.773 56.643 54.840 0.050 0.000 0.748 210 L CB -0.542 41.543 42.059 0.043 0.000 0.891 210 L HN 0.109 nan 8.230 nan 0.000 0.431 211 R N -1.708 118.798 120.500 0.011 0.000 2.139 211 R HA -0.235 4.106 4.340 0.001 0.000 0.243 211 R C 1.325 177.521 176.300 -0.173 0.000 1.145 211 R CA 1.956 58.018 56.100 -0.063 0.000 0.976 211 R CB -0.425 29.853 30.300 -0.038 0.000 0.866 211 R HN 0.527 nan 8.270 nan 0.000 0.449 212 W N -0.472 120.730 121.300 -0.163 0.000 3.400 212 W HA 0.261 4.922 4.660 0.001 0.000 0.347 212 W C 0.961 177.435 176.519 -0.076 0.000 1.218 212 W CA 0.676 57.928 57.345 -0.155 0.000 1.837 212 W CB 0.657 29.950 29.460 -0.278 0.000 1.067 212 W HN 0.358 nan 8.180 nan 0.000 0.701 213 G N 0.238 109.090 108.800 0.087 0.000 2.176 213 G HA2 -0.289 3.672 3.960 0.001 0.000 0.253 213 G HA3 -0.289 3.672 3.960 0.001 0.000 0.253 213 G C -0.127 174.844 174.900 0.119 0.000 0.979 213 G CA -0.204 44.951 45.100 0.092 0.000 0.641 213 G HN 0.145 nan 8.290 nan 0.000 0.530 214 L N 2.227 123.522 121.223 0.120 0.000 2.298 214 L HA 0.533 4.873 4.340 0.001 0.000 0.284 214 L C 0.834 177.759 176.870 0.091 0.000 1.013 214 L CA -0.350 54.562 54.840 0.120 0.000 0.824 214 L CB 1.713 43.848 42.059 0.127 0.000 1.221 214 L HN 0.312 nan 8.230 nan 0.000 0.418 215 T N -1.227 113.379 114.554 0.088 0.000 2.856 215 T HA 0.385 4.735 4.350 0.001 0.000 0.292 215 T C 0.387 175.125 174.700 0.063 0.000 0.980 215 T CA -0.613 61.528 62.100 0.068 0.000 1.091 215 T CB 1.173 70.079 68.868 0.064 0.000 0.936 215 T HN 0.630 nan 8.240 nan 0.000 0.503 216 T N 1.160 115.746 114.554 0.053 0.000 3.390 216 T HA 0.436 4.786 4.350 0.001 0.000 0.351 216 T C -2.284 172.445 174.700 0.049 0.000 1.759 216 T CA -1.425 60.705 62.100 0.050 0.000 1.561 216 T CB 0.108 69.001 68.868 0.042 0.000 1.011 216 T HN 0.570 nan 8.240 nan 0.000 0.689 217 P HA 0.256 nan 4.420 nan 0.000 0.273 217 P C -0.781 176.551 177.300 0.053 0.000 1.250 217 P CA -0.313 62.815 63.100 0.046 0.000 0.793 217 P CB 0.615 32.340 31.700 0.041 0.000 1.011 218 D N 0.731 121.161 120.400 0.051 0.000 2.441 218 D HA 0.129 4.770 4.640 0.001 0.000 0.243 218 D C 0.837 177.178 176.300 0.069 0.000 1.257 218 D CA 0.629 54.665 54.000 0.059 0.000 1.027 218 D CB -0.202 40.626 40.800 0.046 0.000 1.084 218 D HN 0.376 nan 8.370 nan 0.000 0.514 219 K N 1.630 122.088 120.400 0.097 0.000 2.617 219 K HA -0.020 4.300 4.320 0.001 0.000 0.184 219 K C -0.323 176.392 176.600 0.191 0.000 1.295 219 K CA -0.329 56.035 56.287 0.128 0.000 1.112 219 K CB 0.542 33.093 32.500 0.085 0.000 1.069 219 K HN 0.117 nan 8.250 nan 0.000 0.570 220 K N 1.881 122.380 120.400 0.164 0.000 2.263 220 K HA 0.122 4.443 4.320 0.001 0.000 0.282 220 K C -1.096 175.663 176.600 0.264 0.000 1.089 220 K CA -0.363 56.026 56.287 0.170 0.000 0.907 220 K CB 0.205 32.770 32.500 0.109 0.000 1.148 220 K HN 0.206 nan 8.250 nan 0.000 0.470 221 H N 3.589 122.738 119.070 0.132 0.000 2.929 221 H HA -0.026 4.530 4.556 0.001 0.000 0.317 221 H C 0.323 175.777 175.328 0.209 0.000 1.031 221 H CA -0.085 56.064 56.048 0.169 0.000 1.466 221 H CB 1.202 31.184 29.762 0.366 0.000 1.482 221 H HN 0.694 nan 8.280 nan 0.000 0.561 222 Q N 2.430 122.347 119.800 0.194 0.000 2.619 222 Q HA 0.040 4.380 4.340 0.001 0.000 0.195 222 Q C 0.704 176.745 176.000 0.067 0.000 0.910 222 Q CA 0.061 55.951 55.803 0.144 0.000 0.862 222 Q CB 0.451 29.226 28.738 0.062 0.000 1.123 222 Q HN 0.193 nan 8.270 nan 0.000 0.636 223 K N 1.174 121.537 120.400 -0.063 0.000 3.109 223 K HA 0.150 4.470 4.320 0.001 0.000 0.214 223 K C -0.097 176.344 176.600 -0.265 0.000 1.196 223 K CA 0.104 56.325 56.287 -0.111 0.000 1.115 223 K CB 0.403 32.861 32.500 -0.070 0.000 1.103 223 K HN 0.014 nan 8.250 nan 0.000 0.467 224 E N 0.349 120.253 120.200 -0.493 0.000 2.502 224 E HA 0.099 4.450 4.350 0.001 0.000 0.194 224 E C -2.032 173.990 176.600 -0.963 0.000 1.062 224 E CA -1.379 54.604 56.400 -0.694 0.000 0.867 224 E CB -0.234 29.087 29.700 -0.631 0.000 0.888 224 E HN 0.299 nan 8.360 nan 0.000 0.510 225 P HA -0.056 nan 4.420 nan 0.000 0.261 225 P C -2.579 174.546 177.300 -0.292 0.000 1.173 225 P CA -0.332 62.414 63.100 -0.590 0.000 0.760 225 P CB 0.199 31.797 31.700 -0.170 0.000 0.783 226 P HA 0.193 nan 4.420 nan 0.000 0.286 226 P C -0.839 176.347 177.300 -0.191 0.000 1.269 226 P CA -0.143 62.797 63.100 -0.266 0.000 0.787 226 P CB 0.492 31.915 31.700 -0.462 0.000 0.920 227 F N 1.857 121.836 119.950 0.049 0.000 2.389 227 F HA 0.259 4.786 4.527 0.001 0.000 0.337 227 F C 1.096 177.087 175.800 0.318 0.000 1.112 227 F CA -0.408 57.752 58.000 0.267 0.000 1.192 227 F CB 0.481 39.621 39.000 0.234 0.000 1.185 227 F HN 0.042 nan 8.300 nan 0.000 0.552 228 L N 2.523 124.183 121.223 0.727 0.000 2.262 228 L HA 0.261 4.601 4.340 0.001 0.000 0.288 228 L C -1.302 175.856 176.870 0.479 0.000 1.035 228 L CA -0.373 54.780 54.840 0.523 0.000 0.820 228 L CB 0.751 43.098 42.059 0.480 0.000 1.204 228 L HN 0.706 nan 8.230 nan 0.000 0.424 229 W N 6.634 128.067 121.300 0.222 0.000 3.042 229 W HA 0.383 5.043 4.660 0.001 0.000 0.337 229 W C 0.127 176.762 176.519 0.193 0.000 1.086 229 W CA -0.686 56.751 57.345 0.154 0.000 1.236 229 W CB 1.272 30.825 29.460 0.154 0.000 1.381 229 W HN 0.401 nan 8.180 nan 0.000 0.472 230 M N 4.716 123.968 119.600 -0.581 0.000 2.811 230 M HA -0.219 4.261 4.480 0.001 0.000 0.183 230 M C 1.013 177.115 176.300 -0.331 0.000 0.618 230 M CA 2.092 56.994 55.300 -0.664 0.000 0.633 230 M CB -2.254 29.560 32.600 -1.310 0.000 2.305 230 M HN 1.583 nan 8.290 nan 0.000 0.472 231 G N -0.913 107.773 108.800 -0.190 0.000 2.141 231 G HA2 -0.223 3.738 3.960 0.001 0.000 0.195 231 G HA3 -0.223 3.738 3.960 0.001 0.000 0.195 231 G C -0.439 174.246 174.900 -0.358 0.000 1.012 231 G CA 0.230 45.191 45.100 -0.231 0.000 0.696 231 G HN 0.538 nan 8.290 nan 0.000 0.508 232 Y N -0.896 119.493 120.300 0.148 0.000 2.790 232 Y HA 0.757 5.308 4.550 0.001 0.000 0.323 232 Y C 0.382 176.432 175.900 0.250 0.000 1.230 232 Y CA -1.195 57.038 58.100 0.221 0.000 1.121 232 Y CB 1.345 39.911 38.460 0.177 0.000 1.328 232 Y HN 0.049 nan 8.280 nan 0.000 0.514 233 E N 1.273 121.754 120.200 0.468 0.000 2.279 233 E HA 0.420 4.771 4.350 0.001 0.000 0.252 233 E C -1.780 174.963 176.600 0.238 0.000 0.894 233 E CA -0.263 56.291 56.400 0.256 0.000 0.785 233 E CB 0.823 30.625 29.700 0.172 0.000 1.237 233 E HN 0.421 nan 8.360 nan 0.000 0.418 234 L N 4.754 126.141 121.223 0.273 0.000 2.282 234 L HA 0.364 4.704 4.340 0.001 0.000 0.287 234 L C -0.164 176.863 176.870 0.261 0.000 1.075 234 L CA -0.358 54.707 54.840 0.374 0.000 0.839 234 L CB 0.040 42.345 42.059 0.411 0.000 1.219 234 L HN 0.515 nan 8.230 nan 0.000 0.434 235 H N 3.148 122.465 119.070 0.412 0.000 2.508 235 H HA 0.228 4.784 4.556 0.001 0.000 0.344 235 H C -1.523 174.009 175.328 0.339 0.000 1.192 235 H CA -1.514 54.701 56.048 0.278 0.000 1.290 235 H CB 0.750 30.587 29.762 0.125 0.000 1.571 235 H HN 0.262 nan 8.280 nan 0.000 0.555 236 P HA -0.194 nan 4.420 nan 0.000 0.217 236 P C 0.215 177.711 177.300 0.326 0.000 1.151 236 P CA 1.695 64.961 63.100 0.278 0.000 0.849 236 P CB 0.328 32.130 31.700 0.170 0.000 0.787 237 D N -2.545 118.019 120.400 0.274 0.000 2.525 237 D HA 0.099 4.739 4.640 0.001 0.000 0.231 237 D C 0.562 176.837 176.300 -0.042 0.000 1.216 237 D CA 0.256 54.371 54.000 0.191 0.000 0.813 237 D CB 0.902 41.740 40.800 0.064 0.000 1.108 237 D HN 0.351 nan 8.370 nan 0.000 0.524 238 K N -0.057 120.289 120.400 -0.090 0.000 2.555 238 K HA 0.495 4.815 4.320 0.001 0.000 0.279 238 K C -1.321 175.234 176.600 -0.074 0.000 0.986 238 K CA -1.070 54.990 56.287 -0.379 0.000 0.880 238 K CB 2.116 34.250 32.500 -0.610 0.000 1.474 238 K HN -0.048 nan 8.250 nan 0.000 0.433 239 W N 0.036 121.220 121.300 -0.193 0.000 3.062 239 W HA 0.716 5.376 4.660 0.001 0.000 0.336 239 W C -1.684 174.885 176.519 0.084 0.000 1.224 239 W CA -0.967 56.402 57.345 0.039 0.000 1.159 239 W CB 1.479 30.952 29.460 0.022 0.000 1.454 239 W HN 0.827 nan 8.180 nan 0.000 0.569 240 T N 0.023 114.928 114.554 0.586 0.000 2.786 240 T HA 0.434 4.785 4.350 0.001 0.000 0.316 240 T C -0.933 174.121 174.700 0.590 0.000 1.503 240 T CA -0.281 62.021 62.100 0.336 0.000 1.019 240 T CB 1.103 70.052 68.868 0.135 0.000 1.415 240 T HN 1.012 nan 8.240 nan 0.000 0.496 241 V N 1.614 121.772 119.914 0.406 0.000 2.953 241 V HA 0.607 4.727 4.120 0.001 0.000 0.304 241 V C 0.460 176.697 176.094 0.239 0.000 1.073 241 V CA -0.520 61.964 62.300 0.306 0.000 1.064 241 V CB 0.574 32.456 31.823 0.100 0.000 1.047 241 V HN 1.014 nan 8.190 nan 0.000 0.478 242 Q N 1.649 121.575 119.800 0.209 0.000 2.471 242 Q HA 0.314 4.654 4.340 0.001 0.000 0.223 242 Q C -2.283 173.832 176.000 0.193 0.000 1.045 242 Q CA -1.528 54.386 55.803 0.184 0.000 0.956 242 Q CB -0.319 28.503 28.738 0.140 0.000 1.249 242 Q HN 0.622 nan 8.270 nan 0.000 0.549 243 P HA -0.101 nan 4.420 nan 0.000 0.255 243 P C -0.783 176.611 177.300 0.156 0.000 1.161 243 P CA 0.990 64.174 63.100 0.140 0.000 0.768 243 P CB 0.079 31.837 31.700 0.097 0.000 0.746 244 I N 4.542 125.220 120.570 0.180 0.000 2.779 244 I HA 0.146 4.316 4.170 0.001 0.000 0.294 244 I C -0.566 175.620 176.117 0.116 0.000 1.241 244 I CA -0.890 60.527 61.300 0.194 0.000 1.069 244 I CB 0.419 38.605 38.000 0.309 0.000 1.772 244 I HN -0.106 nan 8.210 nan 0.000 0.582 245 V N 6.299 126.262 119.914 0.082 0.000 2.599 245 V HA 0.065 4.186 4.120 0.001 0.000 0.300 245 V C 0.627 176.753 176.094 0.054 0.000 1.034 245 V CA 0.267 62.599 62.300 0.054 0.000 1.115 245 V CB 0.920 32.767 31.823 0.040 0.000 0.934 245 V HN 0.509 nan 8.190 nan 0.000 0.485 246 L N 7.197 128.451 121.223 0.052 0.000 2.375 246 L HA 0.544 4.884 4.340 0.001 0.000 0.268 246 L C -1.905 175.012 176.870 0.079 0.000 1.058 246 L CA -1.677 53.208 54.840 0.075 0.000 0.803 246 L CB 1.729 43.835 42.059 0.078 0.000 1.212 246 L HN 0.500 nan 8.230 nan 0.000 0.451 247 P HA 0.187 nan 4.420 nan 0.000 0.297 247 P C -1.323 176.028 177.300 0.084 0.000 1.319 247 P CA -0.465 62.666 63.100 0.052 0.000 0.810 247 P CB 1.398 33.095 31.700 -0.006 0.000 0.947 248 E N 3.816 124.030 120.200 0.024 0.000 2.081 248 E HA 0.264 4.615 4.350 0.001 0.000 0.281 248 E C -0.419 176.138 176.600 -0.071 0.000 0.986 248 E CA -0.609 55.821 56.400 0.050 0.000 0.796 248 E CB 0.464 30.190 29.700 0.044 0.000 1.085 248 E HN 0.362 nan 8.360 nan 0.000 0.398 249 K N 2.141 122.451 120.400 -0.151 0.000 2.466 249 K HA 0.360 4.681 4.320 0.001 0.000 0.260 249 K C -0.438 176.039 176.600 -0.205 0.000 1.011 249 K CA -0.743 55.349 56.287 -0.325 0.000 0.871 249 K CB 1.345 33.429 32.500 -0.693 0.000 1.404 249 K HN 0.205 nan 8.250 nan 0.000 0.450 250 D N 0.489 120.773 120.400 -0.193 0.000 2.087 250 D HA -0.116 4.524 4.640 0.001 0.000 0.201 250 D C 0.220 176.496 176.300 -0.040 0.000 0.980 250 D CA 0.847 54.806 54.000 -0.068 0.000 0.849 250 D CB -0.315 40.447 40.800 -0.064 0.000 1.001 250 D HN 0.523 nan 8.370 nan 0.000 0.452 251 S N -1.314 114.303 115.700 -0.138 0.000 2.472 251 S HA 0.533 5.004 4.470 0.001 0.000 0.303 251 S C -1.238 173.248 174.600 -0.190 0.000 1.099 251 S CA -1.063 57.117 58.200 -0.033 0.000 1.077 251 S CB 0.801 63.997 63.200 -0.007 0.000 1.031 251 S HN 0.260 nan 8.310 nan 0.000 0.487 252 W N 2.055 123.354 121.300 -0.002 0.000 2.433 252 W HA 0.547 5.207 4.660 0.001 0.000 0.315 252 W C 1.030 177.548 176.519 -0.001 0.000 1.087 252 W CA -0.469 56.875 57.345 -0.001 0.000 1.205 252 W CB 1.405 30.864 29.460 -0.000 0.000 1.288 252 W HN 0.887 nan 8.180 nan 0.000 0.504 253 T N -1.662 112.983 114.554 0.151 0.000 2.880 253 T HA 0.368 4.718 4.350 0.001 0.000 0.279 253 T C 0.769 175.549 174.700 0.133 0.000 0.990 253 T CA -0.644 61.516 62.100 0.100 0.000 0.938 253 T CB 0.942 69.832 68.868 0.035 0.000 1.206 253 T HN 0.169 nan 8.240 nan 0.000 0.573 254 V N 2.289 122.255 119.914 0.086 0.000 2.283 254 V HA -0.105 4.015 4.120 0.001 0.000 0.243 254 V C 2.836 178.979 176.094 0.082 0.000 1.039 254 V CA 2.041 64.390 62.300 0.081 0.000 1.016 254 V CB -1.391 30.463 31.823 0.052 0.000 0.650 254 V HN 0.998 nan 8.190 nan 0.000 0.449 255 N N 0.239 118.975 118.700 0.060 0.000 2.443 255 N HA -0.206 4.534 4.740 0.001 0.000 0.184 255 N C 1.250 176.806 175.510 0.077 0.000 1.037 255 N CA 1.735 54.816 53.050 0.052 0.000 0.896 255 N CB -0.612 37.891 38.487 0.026 0.000 0.959 255 N HN 0.449 nan 8.380 nan 0.000 0.442 256 D N 0.809 121.276 120.400 0.111 0.000 2.084 256 D HA -0.046 4.594 4.640 0.001 0.000 0.196 256 D C 1.954 178.424 176.300 0.284 0.000 0.985 256 D CA 0.835 54.941 54.000 0.177 0.000 0.826 256 D CB -0.011 40.903 40.800 0.190 0.000 0.978 256 D HN 0.193 nan 8.370 nan 0.000 0.456 257 I N 1.349 122.082 120.570 0.271 0.000 2.335 257 I HA -0.239 3.932 4.170 0.001 0.000 0.251 257 I C 2.598 178.777 176.117 0.102 0.000 1.129 257 I CA 0.601 62.000 61.300 0.165 0.000 1.402 257 I CB -1.528 36.527 38.000 0.092 0.000 1.069 257 I HN 0.107 nan 8.210 nan 0.000 0.424 258 C N 0.926 120.281 119.300 0.092 0.000 2.436 258 C HA -0.129 4.332 4.460 0.001 0.000 0.277 258 C C 2.809 177.838 174.990 0.064 0.000 1.241 258 C CA 0.420 59.475 59.018 0.062 0.000 1.721 258 C CB -0.897 26.872 27.740 0.048 0.000 2.043 258 C HN 0.469 nan 8.230 nan 0.000 0.472 259 K N 0.426 120.872 120.400 0.077 0.000 2.009 259 K HA -0.173 4.147 4.320 0.001 0.000 0.210 259 K C 1.900 178.553 176.600 0.090 0.000 1.049 259 K CA 1.300 57.628 56.287 0.069 0.000 0.929 259 K CB -0.604 31.937 32.500 0.068 0.000 0.714 259 K HN 0.265 nan 8.250 nan 0.000 0.440 260 L N 0.936 122.240 121.223 0.136 0.000 1.951 260 L HA -0.272 4.068 4.340 0.001 0.000 0.222 260 L C 2.392 179.307 176.870 0.075 0.000 1.078 260 L CA 1.607 56.520 54.840 0.122 0.000 0.778 260 L CB -0.877 41.250 42.059 0.113 0.000 0.893 260 L HN -0.019 nan 8.230 nan 0.000 0.436 261 V N -0.242 119.705 119.914 0.054 0.000 2.324 261 V HA -0.318 3.803 4.120 0.001 0.000 0.250 261 V C 2.505 178.642 176.094 0.072 0.000 1.060 261 V CA 1.896 64.225 62.300 0.048 0.000 1.042 261 V CB -1.796 30.050 31.823 0.038 0.000 0.650 261 V HN 0.670 nan 8.190 nan 0.000 0.450 262 G N 0.211 109.052 108.800 0.068 0.000 2.587 262 G HA2 -0.293 3.667 3.960 0.001 0.000 0.217 262 G HA3 -0.293 3.667 3.960 0.001 0.000 0.217 262 G C 1.587 176.555 174.900 0.114 0.000 1.240 262 G CA 1.229 46.370 45.100 0.069 0.000 0.794 262 G HN 0.500 nan 8.290 nan 0.000 0.580 263 K N 0.096 120.561 120.400 0.109 0.000 2.020 263 K HA -0.034 4.286 4.320 0.001 0.000 0.212 263 K C 2.612 179.357 176.600 0.241 0.000 1.050 263 K CA 1.188 57.586 56.287 0.185 0.000 0.929 263 K CB -0.502 32.081 32.500 0.138 0.000 0.714 263 K HN 0.264 nan 8.250 nan 0.000 0.443 264 L N 1.439 122.748 121.223 0.144 0.000 2.043 264 L HA -0.252 4.089 4.340 0.001 0.000 0.212 264 L C 2.302 179.251 176.870 0.132 0.000 1.075 264 L CA 1.073 55.976 54.840 0.106 0.000 0.752 264 L CB -0.592 41.499 42.059 0.053 0.000 0.891 264 L HN 0.300 nan 8.230 nan 0.000 0.432 265 N N -0.455 118.333 118.700 0.147 0.000 2.149 265 N HA -0.254 4.486 4.740 0.001 0.000 0.188 265 N C 1.570 177.209 175.510 0.215 0.000 1.019 265 N CA 1.450 54.592 53.050 0.152 0.000 0.857 265 N CB -0.245 38.326 38.487 0.140 0.000 0.997 265 N HN 0.571 nan 8.380 nan 0.000 0.426 266 W N 1.677 123.009 121.300 0.055 0.000 2.436 266 W HA -0.021 4.640 4.660 0.001 0.000 0.284 266 W C 1.562 178.153 176.519 0.119 0.000 1.225 266 W CA 1.203 58.587 57.345 0.066 0.000 1.271 266 W CB -0.031 29.451 29.460 0.038 0.000 1.114 266 W HN -0.015 nan 8.180 nan 0.000 0.559 267 A N 0.762 123.630 122.820 0.080 0.000 2.072 267 A HA -0.125 4.195 4.320 0.001 0.000 0.216 267 A C 1.934 179.567 177.584 0.082 0.000 1.156 267 A CA 1.430 53.492 52.037 0.042 0.000 0.701 267 A CB -1.104 17.993 19.000 0.161 0.000 0.816 267 A HN 0.321 nan 8.150 nan 0.000 0.458 268 S N 0.551 116.288 115.700 0.062 0.000 2.584 268 S HA -0.199 4.271 4.470 0.001 0.000 0.240 268 S C 1.607 176.200 174.600 -0.012 0.000 0.975 268 S CA 1.011 59.236 58.200 0.041 0.000 0.949 268 S CB -0.601 62.625 63.200 0.043 0.000 0.761 268 S HN 0.845 nan 8.310 nan 0.000 0.536 269 Q N -0.708 119.079 119.800 -0.023 0.000 2.398 269 Q HA 0.286 4.626 4.340 0.001 0.000 0.204 269 Q C 1.538 177.584 176.000 0.076 0.000 0.932 269 Q CA 0.391 56.203 55.803 0.014 0.000 0.916 269 Q CB -0.134 28.619 28.738 0.025 0.000 1.024 269 Q HN 0.574 nan 8.270 nan 0.000 0.504 270 I N -1.332 119.234 120.570 -0.007 0.000 4.399 270 I HA 0.189 4.360 4.170 0.001 0.000 0.301 270 I C -0.627 175.357 176.117 -0.222 0.000 1.198 270 I CA -0.620 60.602 61.300 -0.131 0.000 1.315 270 I CB 0.788 38.654 38.000 -0.223 0.000 1.452 270 I HN -0.027 nan 8.210 nan 0.000 0.457 271 Y N 5.154 125.407 120.300 -0.079 0.000 2.531 271 Y HA 0.329 4.879 4.550 0.001 0.000 0.347 271 Y C -2.000 173.859 175.900 -0.068 0.000 1.024 271 Y CA -2.415 55.641 58.100 -0.074 0.000 1.306 271 Y CB -0.278 38.150 38.460 -0.053 0.000 1.149 271 Y HN 0.102 nan 8.280 nan 0.000 0.527 272 P HA 0.148 nan 4.420 nan 0.000 0.278 272 P C 0.565 177.883 177.300 0.031 0.000 1.238 272 P CA 0.290 63.397 63.100 0.011 0.000 0.794 272 P CB 1.473 33.166 31.700 -0.011 0.000 0.955 273 G N 2.332 111.142 108.800 0.017 0.000 2.147 273 G HA2 -0.189 3.771 3.960 0.001 0.000 0.244 273 G HA3 -0.189 3.771 3.960 0.001 0.000 0.244 273 G C 0.237 175.148 174.900 0.019 0.000 1.005 273 G CA -0.462 44.651 45.100 0.020 0.000 0.713 273 G HN 0.461 nan 8.290 nan 0.000 0.515 274 I N 0.586 121.172 120.570 0.027 0.000 2.696 274 I HA 0.372 4.542 4.170 0.001 0.000 0.284 274 I C 0.797 176.927 176.117 0.023 0.000 1.129 274 I CA 0.458 61.769 61.300 0.019 0.000 1.410 274 I CB 0.893 38.912 38.000 0.031 0.000 1.399 274 I HN 0.428 nan 8.210 nan 0.000 0.579 275 K N 3.841 124.248 120.400 0.011 0.000 2.527 275 K HA 0.611 4.932 4.320 0.001 0.000 0.260 275 K C -0.415 176.188 176.600 0.004 0.000 0.937 275 K CA -0.729 55.567 56.287 0.015 0.000 0.826 275 K CB 2.334 34.836 32.500 0.003 0.000 1.359 275 K HN 0.301 nan 8.250 nan 0.000 0.434 276 V N -2.395 117.527 119.914 0.013 0.000 3.382 276 V HA 0.177 4.297 4.120 0.001 0.000 0.296 276 V C 1.812 177.904 176.094 -0.003 0.000 1.529 276 V CA 0.055 62.356 62.300 0.001 0.000 1.048 276 V CB 0.408 32.242 31.823 0.018 0.000 0.878 276 V HN 0.815 nan 8.190 nan 0.000 0.442 277 R N 1.794 122.296 120.500 0.003 0.000 2.159 277 R HA -0.220 4.120 4.340 0.001 0.000 0.249 277 R C 2.219 178.511 176.300 -0.013 0.000 1.136 277 R CA 2.794 58.894 56.100 -0.000 0.000 0.951 277 R CB -0.583 29.714 30.300 -0.005 0.000 0.876 277 R HN 0.587 nan 8.270 nan 0.000 0.440 278 Q N -0.574 119.211 119.800 -0.026 0.000 2.172 278 Q HA -0.065 4.276 4.340 0.001 0.000 0.200 278 Q C 1.982 177.951 176.000 -0.051 0.000 0.964 278 Q CA 0.911 56.692 55.803 -0.036 0.000 0.855 278 Q CB -0.285 28.426 28.738 -0.044 0.000 0.918 278 Q HN 0.300 nan 8.270 nan 0.000 0.444 279 L N 0.828 122.015 121.223 -0.060 0.000 2.179 279 L HA -0.066 4.274 4.340 0.001 0.000 0.208 279 L C 2.326 179.162 176.870 -0.056 0.000 1.096 279 L CA 1.751 56.539 54.840 -0.087 0.000 0.779 279 L CB -0.706 41.290 42.059 -0.105 0.000 0.922 279 L HN 0.209 nan 8.230 nan 0.000 0.443 280 S N -0.995 114.688 115.700 -0.028 0.000 2.348 280 S HA -0.226 4.244 4.470 0.001 0.000 0.219 280 S C 2.140 176.736 174.600 -0.006 0.000 1.033 280 S CA 1.027 59.222 58.200 -0.008 0.000 0.974 280 S CB -0.663 62.541 63.200 0.008 0.000 0.868 280 S HN 0.427 nan 8.310 nan 0.000 0.459 281 K N 0.547 120.942 120.400 -0.008 0.000 2.207 281 K HA -0.190 4.131 4.320 0.001 0.000 0.208 281 K C 1.824 178.420 176.600 -0.007 0.000 1.046 281 K CA 1.642 57.926 56.287 -0.005 0.000 0.929 281 K CB -0.581 31.914 32.500 -0.009 0.000 0.720 281 K HN 0.464 nan 8.250 nan 0.000 0.463 282 L N 1.250 122.463 121.223 -0.017 0.000 2.721 282 L HA -0.018 4.323 4.340 0.001 0.000 0.241 282 L C 0.457 177.327 176.870 -0.002 0.000 1.168 282 L CA 0.984 55.813 54.840 -0.017 0.000 0.866 282 L CB 0.065 42.099 42.059 -0.041 0.000 0.996 282 L HN 0.156 nan 8.230 nan 0.000 0.451 283 L N -1.028 120.197 121.223 0.004 0.000 3.059 283 L HA 0.298 4.638 4.340 0.001 0.000 0.298 283 L C 1.186 178.065 176.870 0.015 0.000 1.304 283 L CA -0.121 54.727 54.840 0.014 0.000 0.855 283 L CB 0.063 42.132 42.059 0.018 0.000 1.266 283 L HN 0.076 nan 8.230 nan 0.000 0.572 284 R N 0.088 120.596 120.500 0.013 0.000 2.195 284 R HA 0.175 4.516 4.340 0.001 0.000 0.197 284 R C 1.243 177.552 176.300 0.015 0.000 0.990 284 R CA 0.359 56.467 56.100 0.014 0.000 1.048 284 R CB 0.334 30.641 30.300 0.012 0.000 0.997 284 R HN 0.327 nan 8.270 nan 0.000 0.502 285 G N 2.771 111.580 108.800 0.015 0.000 2.508 285 G HA2 0.058 4.019 3.960 0.001 0.000 0.301 285 G HA3 0.058 4.019 3.960 0.001 0.000 0.301 285 G C 0.117 175.027 174.900 0.017 0.000 0.965 285 G CA -0.335 44.774 45.100 0.015 0.000 1.339 285 G HN 0.161 nan 8.290 nan 0.000 0.455 286 T N 0.845 115.409 114.554 0.016 0.000 2.778 286 T HA 0.340 4.690 4.350 0.001 0.000 0.282 286 T C 0.114 174.823 174.700 0.016 0.000 0.983 286 T CA -0.055 62.055 62.100 0.016 0.000 1.193 286 T CB 1.139 70.016 68.868 0.015 0.000 0.938 286 T HN 0.368 nan 8.240 nan 0.000 0.523 287 K N 1.099 121.510 120.400 0.017 0.000 2.428 287 K HA 0.685 5.005 4.320 0.001 0.000 0.279 287 K C -0.406 176.204 176.600 0.017 0.000 1.041 287 K CA -0.913 55.384 56.287 0.017 0.000 0.887 287 K CB 1.514 34.025 32.500 0.018 0.000 1.535 287 K HN 0.713 nan 8.250 nan 0.000 0.417 288 A N 1.109 123.938 122.820 0.015 0.000 2.546 288 A HA 0.144 4.464 4.320 0.001 0.000 0.243 288 A C 0.453 178.047 177.584 0.017 0.000 1.063 288 A CA 0.121 52.166 52.037 0.013 0.000 0.757 288 A CB -0.378 18.628 19.000 0.009 0.000 0.991 288 A HN 0.414 nan 8.150 nan 0.000 0.503 289 L N 3.212 124.444 121.223 0.014 0.000 2.801 289 L HA 0.109 4.450 4.340 0.001 0.000 0.250 289 L C 1.569 178.448 176.870 0.014 0.000 1.222 289 L CA 1.733 56.584 54.840 0.019 0.000 1.054 289 L CB -0.936 41.132 42.059 0.015 0.000 1.330 289 L HN 0.951 nan 8.230 nan 0.000 0.426 290 T N -6.605 107.957 114.554 0.013 0.000 3.092 290 T HA 0.088 4.438 4.350 0.001 0.000 0.273 290 T C 0.610 175.318 174.700 0.012 0.000 0.898 290 T CA -0.438 61.666 62.100 0.007 0.000 0.868 290 T CB -0.007 68.860 68.868 -0.001 0.000 1.228 290 T HN 0.193 nan 8.240 nan 0.000 0.555 291 E N 2.473 122.684 120.200 0.019 0.000 2.351 291 E HA 0.336 4.686 4.350 0.001 0.000 0.266 291 E C -0.546 176.076 176.600 0.036 0.000 1.031 291 E CA -0.319 56.095 56.400 0.023 0.000 0.911 291 E CB 0.651 30.365 29.700 0.023 0.000 0.986 291 E HN 0.157 nan 8.360 nan 0.000 0.446 292 V N 7.070 127.005 119.914 0.035 0.000 2.479 292 V HA 0.059 4.179 4.120 0.001 0.000 0.281 292 V C 0.547 176.680 176.094 0.064 0.000 1.031 292 V CA 0.287 62.618 62.300 0.053 0.000 1.038 292 V CB 0.419 32.266 31.823 0.040 0.000 0.981 292 V HN 0.647 nan 8.190 nan 0.000 0.478 293 I N 7.944 128.570 120.570 0.092 0.000 2.493 293 I HA 0.581 4.751 4.170 0.001 0.000 0.298 293 I C -2.160 174.013 176.117 0.093 0.000 0.998 293 I CA -2.432 58.916 61.300 0.079 0.000 1.137 293 I CB 2.764 40.807 38.000 0.072 0.000 1.310 293 I HN 0.486 nan 8.210 nan 0.000 0.445 294 P HA 0.276 nan 4.420 nan 0.000 0.292 294 P C -1.128 176.185 177.300 0.021 0.000 1.287 294 P CA -0.370 62.762 63.100 0.054 0.000 0.800 294 P CB 1.177 32.899 31.700 0.037 0.000 0.945 295 L N 2.945 124.172 121.223 0.005 0.000 2.380 295 L HA 0.228 4.569 4.340 0.001 0.000 0.273 295 L C 1.605 178.447 176.870 -0.046 0.000 1.138 295 L CA -0.171 54.630 54.840 -0.065 0.000 0.832 295 L CB 0.460 42.432 42.059 -0.145 0.000 1.124 295 L HN 0.474 nan 8.230 nan 0.000 0.454 296 T N -1.801 112.720 114.554 -0.056 0.000 2.899 296 T HA 0.110 4.460 4.350 0.001 0.000 0.284 296 T C 0.869 175.540 174.700 -0.047 0.000 1.004 296 T CA -0.645 61.431 62.100 -0.039 0.000 1.043 296 T CB 1.712 70.560 68.868 -0.034 0.000 1.013 296 T HN 0.740 nan 8.240 nan 0.000 0.518 297 E N 0.619 120.800 120.200 -0.033 0.000 2.023 297 E HA -0.221 4.129 4.350 0.001 0.000 0.196 297 E C 1.640 178.215 176.600 -0.041 0.000 1.003 297 E CA 1.647 58.027 56.400 -0.033 0.000 0.809 297 E CB -0.169 29.518 29.700 -0.021 0.000 0.755 297 E HN 0.820 nan 8.360 nan 0.000 0.449 298 E N -0.111 120.067 120.200 -0.037 0.000 2.393 298 E HA -0.187 4.164 4.350 0.001 0.000 0.201 298 E C 1.199 177.768 176.600 -0.053 0.000 1.025 298 E CA 1.083 57.460 56.400 -0.039 0.000 0.856 298 E CB -0.122 29.559 29.700 -0.031 0.000 0.771 298 E HN 0.381 nan 8.360 nan 0.000 0.526 299 A N 0.080 122.859 122.820 -0.069 0.000 1.984 299 A HA 0.043 4.364 4.320 0.001 0.000 0.203 299 A C 1.868 179.380 177.584 -0.120 0.000 1.292 299 A CA 0.042 52.021 52.037 -0.098 0.000 0.782 299 A CB 0.072 19.002 19.000 -0.117 0.000 0.924 299 A HN -0.013 nan 8.150 nan 0.000 0.475 300 E N 0.580 120.712 120.200 -0.112 0.000 2.147 300 E HA -0.209 4.142 4.350 0.001 0.000 0.199 300 E C 1.921 178.471 176.600 -0.083 0.000 1.005 300 E CA 1.201 57.536 56.400 -0.109 0.000 0.810 300 E CB -0.341 29.318 29.700 -0.069 0.000 0.736 300 E HN 0.661 nan 8.360 nan 0.000 0.460 301 L N 0.286 121.470 121.223 -0.065 0.000 1.993 301 L HA -0.166 4.175 4.340 0.001 0.000 0.206 301 L C 2.695 179.531 176.870 -0.056 0.000 1.074 301 L CA 1.568 56.377 54.840 -0.051 0.000 0.746 301 L CB -0.775 41.259 42.059 -0.040 0.000 0.896 301 L HN 0.146 nan 8.230 nan 0.000 0.435 302 E N 0.800 120.964 120.200 -0.061 0.000 2.273 302 E HA -0.283 4.068 4.350 0.001 0.000 0.198 302 E C 2.133 178.690 176.600 -0.071 0.000 1.002 302 E CA 1.343 57.708 56.400 -0.059 0.000 0.828 302 E CB -0.284 29.383 29.700 -0.056 0.000 0.747 302 E HN 0.353 nan 8.360 nan 0.000 0.491 303 L N 1.435 122.599 121.223 -0.097 0.000 1.973 303 L HA -0.012 4.329 4.340 0.001 0.000 0.208 303 L C 2.540 179.366 176.870 -0.073 0.000 1.073 303 L CA 2.473 57.245 54.840 -0.113 0.000 0.746 303 L CB -1.167 40.781 42.059 -0.184 0.000 0.891 303 L HN 0.168 nan 8.230 nan 0.000 0.433 304 A N -0.681 122.102 122.820 -0.061 0.000 1.940 304 A HA -0.242 4.078 4.320 0.001 0.000 0.219 304 A C 2.115 179.676 177.584 -0.038 0.000 1.176 304 A CA 1.966 53.980 52.037 -0.038 0.000 0.631 304 A CB -0.743 18.240 19.000 -0.029 0.000 0.814 304 A HN 0.700 nan 8.150 nan 0.000 0.446 305 E N -0.209 119.966 120.200 -0.041 0.000 2.031 305 E HA -0.187 4.164 4.350 0.001 0.000 0.193 305 E C 1.873 178.446 176.600 -0.044 0.000 0.994 305 E CA 1.065 57.443 56.400 -0.037 0.000 0.800 305 E CB -0.271 29.408 29.700 -0.035 0.000 0.752 305 E HN 0.549 nan 8.360 nan 0.000 0.447 306 N N 1.120 119.789 118.700 -0.050 0.000 2.007 306 N HA -0.213 4.527 4.740 0.001 0.000 0.197 306 N C 1.751 177.211 175.510 -0.082 0.000 1.050 306 N CA 1.049 54.062 53.050 -0.062 0.000 0.856 306 N CB -0.494 37.958 38.487 -0.057 0.000 1.050 306 N HN 0.074 nan 8.380 nan 0.000 0.423 307 R N 0.938 121.398 120.500 -0.067 0.000 2.228 307 R HA -0.175 4.165 4.340 0.001 0.000 0.259 307 R C 1.543 177.801 176.300 -0.070 0.000 1.183 307 R CA 1.321 57.383 56.100 -0.062 0.000 1.002 307 R CB 0.131 30.415 30.300 -0.028 0.000 0.879 307 R HN 0.294 nan 8.270 nan 0.000 0.467 308 E N 0.267 120.430 120.200 -0.061 0.000 2.021 308 E HA -0.119 4.231 4.350 0.001 0.000 0.189 308 E C 2.053 178.612 176.600 -0.068 0.000 0.980 308 E CA 1.208 57.578 56.400 -0.051 0.000 0.803 308 E CB -0.241 29.438 29.700 -0.035 0.000 0.766 308 E HN 0.403 nan 8.360 nan 0.000 0.449 309 I N 1.452 121.978 120.570 -0.073 0.000 2.236 309 I HA -0.303 3.868 4.170 0.001 0.000 0.249 309 I C 2.323 178.341 176.117 -0.165 0.000 1.102 309 I CA 1.124 62.385 61.300 -0.066 0.000 1.365 309 I CB -0.590 37.382 38.000 -0.046 0.000 1.051 309 I HN 0.040 nan 8.210 nan 0.000 0.420 310 L N 0.468 121.489 121.223 -0.336 0.000 2.633 310 L HA -0.124 4.217 4.340 0.001 0.000 0.235 310 L C 2.337 179.053 176.870 -0.256 0.000 1.163 310 L CA 0.931 55.400 54.840 -0.618 0.000 0.859 310 L CB -0.506 41.264 42.059 -0.482 0.000 0.973 310 L HN 0.286 nan 8.230 nan 0.000 0.451 311 K N 0.532 120.873 120.400 -0.099 0.000 2.099 311 K HA -0.017 4.303 4.320 0.001 0.000 0.203 311 K C 0.586 177.211 176.600 0.042 0.000 1.047 311 K CA 0.164 56.442 56.287 -0.016 0.000 0.963 311 K CB 0.124 32.614 32.500 -0.018 0.000 0.759 311 K HN 0.397 nan 8.250 nan 0.000 0.451 312 E N 3.817 124.050 120.200 0.054 0.000 2.384 312 E HA 0.066 4.416 4.350 0.001 0.000 0.266 312 E C -2.400 174.285 176.600 0.141 0.000 1.012 312 E CA -1.785 54.655 56.400 0.066 0.000 0.901 312 E CB -0.000 29.724 29.700 0.041 0.000 0.967 312 E HN -0.006 nan 8.360 nan 0.000 0.435 313 P HA 0.050 nan 4.420 nan 0.000 0.278 313 P C -0.458 176.832 177.300 -0.016 0.000 1.238 313 P CA -0.365 62.788 63.100 0.088 0.000 0.794 313 P CB 1.352 33.083 31.700 0.052 0.000 0.955 314 V N -0.091 119.733 119.914 -0.149 0.000 3.160 314 V HA 0.863 4.984 4.120 0.001 0.000 0.310 314 V C -0.875 174.996 176.094 -0.372 0.000 1.181 314 V CA -0.843 61.242 62.300 -0.358 0.000 1.047 314 V CB 1.727 33.231 31.823 -0.533 0.000 1.068 314 V HN 0.995 nan 8.190 nan 0.000 0.441 315 H N -0.560 118.255 119.070 -0.425 0.000 2.918 315 H HA 0.936 5.492 4.556 0.001 0.000 0.303 315 H C -0.434 174.441 175.328 -0.756 0.000 1.380 315 H CA -0.303 55.401 56.048 -0.573 0.000 1.134 315 H CB 1.314 30.834 29.762 -0.403 0.000 1.842 315 H HN 1.317 nan 8.280 nan 0.000 0.533 316 G N -0.345 107.889 108.800 -0.943 0.000 2.642 316 G HA2 0.563 4.523 3.960 0.001 0.000 0.293 316 G HA3 0.563 4.523 3.960 0.001 0.000 0.293 316 G C -1.261 173.179 174.900 -0.766 0.000 1.341 316 G CA -0.647 43.894 45.100 -0.932 0.000 0.916 316 G HN 0.540 nan 8.290 nan 0.000 0.474 317 V N -0.345 119.421 119.914 -0.246 0.000 3.302 317 V HA 0.531 4.651 4.120 0.001 0.000 0.316 317 V C -0.528 175.614 176.094 0.080 0.000 1.111 317 V CA -0.782 61.420 62.300 -0.164 0.000 1.029 317 V CB 1.264 33.077 31.823 -0.017 0.000 1.170 317 V HN 0.598 nan 8.190 nan 0.000 0.452 318 Y N -0.745 119.743 120.300 0.313 0.000 2.458 318 Y HA 0.455 5.006 4.550 0.001 0.000 0.322 318 Y C -0.156 175.938 175.900 0.324 0.000 1.259 318 Y CA -1.065 57.222 58.100 0.312 0.000 1.302 318 Y CB 0.344 38.926 38.460 0.205 0.000 1.314 318 Y HN 0.538 nan 8.280 nan 0.000 0.509 319 Y N 1.692 122.232 120.300 0.400 0.000 2.319 319 Y HA 0.257 4.808 4.550 0.001 0.000 0.328 319 Y C -0.489 175.520 175.900 0.181 0.000 1.133 319 Y CA -1.077 57.200 58.100 0.296 0.000 1.265 319 Y CB 0.610 39.346 38.460 0.460 0.000 1.218 319 Y HN 0.531 nan 8.280 nan 0.000 0.508 320 D N 8.661 128.763 120.400 -0.497 0.000 2.464 320 D HA 0.276 4.917 4.640 0.001 0.000 0.243 320 D C -1.996 173.774 176.300 -0.883 0.000 1.104 320 D CA -2.540 51.160 54.000 -0.500 0.000 0.883 320 D CB 1.554 42.232 40.800 -0.203 0.000 1.050 320 D HN 0.360 nan 8.370 nan 0.000 0.524 321 P HA -0.154 nan 4.420 nan 0.000 0.221 321 P C 0.881 178.043 177.300 -0.229 0.000 1.145 321 P CA 0.718 63.489 63.100 -0.549 0.000 0.795 321 P CB 0.197 31.781 31.700 -0.194 0.000 0.775 322 S N -2.304 113.278 115.700 -0.197 0.000 2.671 322 S HA 0.166 4.637 4.470 0.001 0.000 0.220 322 S C 0.596 175.139 174.600 -0.095 0.000 0.951 322 S CA -0.330 57.807 58.200 -0.105 0.000 0.932 322 S CB -0.552 62.601 63.200 -0.078 0.000 0.777 322 S HN 0.073 nan 8.310 nan 0.000 0.508 323 K N 0.262 120.585 120.400 -0.127 0.000 2.433 323 K HA 0.403 4.724 4.320 0.001 0.000 0.252 323 K C -1.455 175.098 176.600 -0.078 0.000 1.015 323 K CA -0.796 55.436 56.287 -0.092 0.000 0.860 323 K CB 1.318 33.761 32.500 -0.095 0.000 1.359 323 K HN 0.029 nan 8.250 nan 0.000 0.452 324 D N 1.262 121.618 120.400 -0.073 0.000 2.313 324 D HA 0.163 4.803 4.640 0.001 0.000 0.247 324 D C -0.826 175.391 176.300 -0.137 0.000 1.094 324 D CA -0.173 53.775 54.000 -0.087 0.000 0.925 324 D CB 1.155 41.901 40.800 -0.090 0.000 1.188 324 D HN 0.159 nan 8.370 nan 0.000 0.430 325 L N 2.985 124.097 121.223 -0.184 0.000 2.264 325 L HA 0.357 4.698 4.340 0.001 0.000 0.287 325 L C -0.512 176.101 176.870 -0.429 0.000 1.039 325 L CA -0.169 54.476 54.840 -0.325 0.000 0.829 325 L CB 0.332 42.166 42.059 -0.375 0.000 1.211 325 L HN 0.226 nan 8.230 nan 0.000 0.427 326 I N 4.033 124.279 120.570 -0.541 0.000 2.437 326 I HA 0.724 4.894 4.170 0.001 0.000 0.298 326 I C -0.003 175.641 176.117 -0.789 0.000 0.984 326 I CA -0.616 60.263 61.300 -0.702 0.000 1.214 326 I CB 1.777 39.225 38.000 -0.921 0.000 1.365 326 I HN 0.665 nan 8.210 nan 0.000 0.469 327 A N 5.110 127.523 122.820 -0.679 0.000 2.398 327 A HA 0.636 4.956 4.320 0.001 0.000 0.301 327 A C -0.969 176.477 177.584 -0.230 0.000 1.041 327 A CA -0.499 51.262 52.037 -0.460 0.000 0.711 327 A CB 1.602 20.267 19.000 -0.558 0.000 1.240 327 A HN 0.769 nan 8.150 nan 0.000 0.420 328 E N 2.076 122.281 120.200 0.009 0.000 2.238 328 E HA 0.676 5.027 4.350 0.001 0.000 0.267 328 E C -1.570 175.162 176.600 0.219 0.000 0.887 328 E CA -0.577 55.905 56.400 0.136 0.000 0.769 328 E CB 1.303 31.110 29.700 0.179 0.000 1.187 328 E HN 0.542 nan 8.360 nan 0.000 0.416 329 I N 2.582 123.283 120.570 0.219 0.000 2.603 329 I HA 0.314 4.484 4.170 0.001 0.000 0.300 329 I C -0.747 175.522 176.117 0.255 0.000 1.017 329 I CA -0.500 60.964 61.300 0.274 0.000 1.098 329 I CB 2.060 40.203 38.000 0.238 0.000 1.279 329 I HN 0.478 nan 8.210 nan 0.000 0.437 330 Q N 3.355 123.320 119.800 0.274 0.000 2.372 330 Q HA 0.441 4.781 4.340 0.001 0.000 0.273 330 Q C -0.973 175.073 176.000 0.077 0.000 1.078 330 Q CA -1.018 54.876 55.803 0.151 0.000 0.806 330 Q CB 2.428 31.215 28.738 0.082 0.000 1.332 330 Q HN 0.379 nan 8.270 nan 0.000 0.435 331 K N 1.693 121.980 120.400 -0.188 0.000 2.316 331 K HA 0.083 4.403 4.320 0.001 0.000 0.289 331 K C -0.016 176.337 176.600 -0.413 0.000 1.070 331 K CA 0.229 56.117 56.287 -0.665 0.000 0.928 331 K CB 0.612 32.627 32.500 -0.808 0.000 1.039 331 K HN 0.656 nan 8.250 nan 0.000 0.480 332 Q N 2.740 122.302 119.800 -0.397 0.000 2.280 332 Q HA 0.121 4.461 4.340 0.001 0.000 0.201 332 Q C -0.019 175.849 176.000 -0.220 0.000 0.890 332 Q CA 0.249 55.924 55.803 -0.213 0.000 0.947 332 Q CB 0.714 29.390 28.738 -0.104 0.000 1.081 332 Q HN 1.039 nan 8.270 nan 0.000 0.502 333 G N 2.238 110.841 108.800 -0.329 0.000 2.719 333 G HA2 -0.260 3.700 3.960 0.001 0.000 0.686 333 G HA3 -0.260 3.700 3.960 0.001 0.000 0.686 333 G C -0.442 174.349 174.900 -0.181 0.000 1.201 333 G CA -0.369 44.594 45.100 -0.227 0.000 0.768 333 G HN 0.469 nan 8.290 nan 0.000 0.629 334 Q N -0.528 119.195 119.800 -0.128 0.000 2.439 334 Q HA -0.022 4.319 4.340 0.001 0.000 0.361 334 Q C 1.477 177.437 176.000 -0.067 0.000 1.408 334 Q CA 2.127 57.888 55.803 -0.071 0.000 1.052 334 Q CB -1.835 26.877 28.738 -0.043 0.000 1.233 334 Q HN 3.006 nan 8.270 nan 0.000 0.347 335 G N 0.207 108.965 108.800 -0.070 0.000 2.377 335 G HA2 -0.414 3.546 3.960 0.001 0.000 0.250 335 G HA3 -0.414 3.546 3.960 0.001 0.000 0.250 335 G C 0.222 175.169 174.900 0.078 0.000 1.039 335 G CA 0.711 45.828 45.100 0.028 0.000 0.625 335 G HN 0.740 nan 8.290 nan 0.000 0.526 336 Q N -0.727 119.042 119.800 -0.052 0.000 2.417 336 Q HA 0.525 4.865 4.340 0.001 0.000 0.241 336 Q C -0.408 175.534 176.000 -0.098 0.000 1.008 336 Q CA 0.109 55.931 55.803 0.033 0.000 0.901 336 Q CB 0.703 29.433 28.738 -0.012 0.000 1.259 336 Q HN 0.503 nan 8.270 nan 0.000 0.489 337 W N -0.585 120.706 121.300 -0.015 0.000 3.075 337 W HA 0.476 5.136 4.660 0.001 0.000 0.334 337 W C -1.033 175.562 176.519 0.128 0.000 1.243 337 W CA -0.467 56.907 57.345 0.047 0.000 1.170 337 W CB 1.520 31.014 29.460 0.057 0.000 1.452 337 W HN 0.407 nan 8.180 nan 0.000 0.572 338 T N 1.259 116.035 114.554 0.370 0.000 2.903 338 T HA 0.688 5.038 4.350 0.001 0.000 0.299 338 T C -1.590 173.323 174.700 0.355 0.000 1.093 338 T CA -0.783 61.479 62.100 0.271 0.000 1.002 338 T CB 1.897 70.833 68.868 0.114 0.000 1.127 338 T HN 0.357 nan 8.240 nan 0.000 0.488 339 Y N -0.596 119.794 120.300 0.150 0.000 2.625 339 Y HA 0.784 5.334 4.550 0.001 0.000 0.338 339 Y C -1.428 174.541 175.900 0.115 0.000 1.123 339 Y CA -1.335 56.845 58.100 0.134 0.000 1.046 339 Y CB 1.465 40.006 38.460 0.135 0.000 1.299 339 Y HN 0.563 nan 8.280 nan 0.000 0.464 340 Q N 2.377 122.332 119.800 0.258 0.000 2.379 340 Q HA 0.599 4.939 4.340 0.001 0.000 0.278 340 Q C -1.750 174.383 176.000 0.222 0.000 1.068 340 Q CA -0.841 55.070 55.803 0.179 0.000 0.816 340 Q CB 3.110 31.934 28.738 0.145 0.000 1.387 340 Q HN 0.921 nan 8.270 nan 0.000 0.413 341 I N 2.981 123.653 120.570 0.170 0.000 2.382 341 I HA 0.443 4.614 4.170 0.001 0.000 0.285 341 I C -0.857 175.264 176.117 0.007 0.000 1.007 341 I CA -0.867 60.419 61.300 -0.023 0.000 1.142 341 I CB 0.663 38.642 38.000 -0.034 0.000 1.289 341 I HN 0.654 nan 8.210 nan 0.000 0.453 342 Y N 3.451 123.682 120.300 -0.115 0.000 2.773 342 Y HA 0.623 5.173 4.550 0.001 0.000 0.323 342 Y C 0.275 176.096 175.900 -0.133 0.000 1.183 342 Y CA -0.821 57.218 58.100 -0.101 0.000 1.144 342 Y CB 1.019 39.424 38.460 -0.092 0.000 1.340 342 Y HN 0.384 nan 8.280 nan 0.000 0.531 343 Q N -1.034 118.869 119.800 0.173 0.000 2.445 343 Q HA 0.238 4.578 4.340 0.001 0.000 0.257 343 Q C -0.834 175.252 176.000 0.143 0.000 0.806 343 Q CA 0.031 55.864 55.803 0.050 0.000 0.987 343 Q CB 1.337 30.077 28.738 0.004 0.000 1.248 343 Q HN 0.573 nan 8.270 nan 0.000 0.542 344 E N 1.824 122.124 120.200 0.166 0.000 2.191 344 E HA 0.341 4.691 4.350 0.001 0.000 0.263 344 E C -2.655 173.929 176.600 -0.027 0.000 0.881 344 E CA -2.291 54.152 56.400 0.071 0.000 0.757 344 E CB 1.718 31.441 29.700 0.038 0.000 1.147 344 E HN -0.056 nan 8.360 nan 0.000 0.414 345 P HA -0.108 nan 4.420 nan 0.000 0.259 345 P C -0.232 176.811 177.300 -0.428 0.000 1.155 345 P CA 0.597 63.330 63.100 -0.611 0.000 0.759 345 P CB -0.013 31.371 31.700 -0.526 0.000 0.753 346 F N 0.578 120.262 119.950 -0.442 0.000 2.571 346 F HA -0.251 4.277 4.527 0.001 0.000 0.515 346 F C 0.779 176.454 175.800 -0.209 0.000 0.532 346 F CA 1.135 58.965 58.000 -0.283 0.000 1.158 346 F CB -1.667 37.214 39.000 -0.198 0.000 1.848 346 F HN 0.347 nan 8.300 nan 0.000 0.266 347 K N 2.101 122.493 120.400 -0.013 0.000 2.319 347 K HA 0.314 4.634 4.320 0.001 0.000 0.237 347 K C -0.123 176.492 176.600 0.025 0.000 1.113 347 K CA -0.269 56.022 56.287 0.006 0.000 1.072 347 K CB 0.039 32.560 32.500 0.035 0.000 1.734 347 K HN 0.358 nan 8.250 nan 0.000 0.429 348 N N 0.617 119.321 118.700 0.006 0.000 2.513 348 N HA 0.108 4.848 4.740 0.001 0.000 0.274 348 N C 0.599 176.160 175.510 0.085 0.000 1.189 348 N CA -0.585 52.526 53.050 0.102 0.000 0.975 348 N CB 0.685 39.249 38.487 0.129 0.000 1.157 348 N HN 0.025 nan 8.380 nan 0.000 0.465 349 L N -0.899 120.433 121.223 0.182 0.000 2.131 349 L HA 0.211 4.551 4.340 0.001 0.000 0.206 349 L C 1.078 178.209 176.870 0.435 0.000 1.087 349 L CA 1.297 56.332 54.840 0.325 0.000 0.767 349 L CB -0.573 41.739 42.059 0.420 0.000 0.917 349 L HN 0.728 nan 8.230 nan 0.000 0.441 350 K N -1.290 119.324 120.400 0.356 0.000 2.579 350 K HA 0.493 4.814 4.320 0.001 0.000 0.284 350 K C -1.372 175.336 176.600 0.179 0.000 0.990 350 K CA -0.342 56.170 56.287 0.375 0.000 0.880 350 K CB 1.924 34.759 32.500 0.560 0.000 1.488 350 K HN -0.013 nan 8.250 nan 0.000 0.425 351 T N -1.440 113.152 114.554 0.064 0.000 2.865 351 T HA 0.894 5.244 4.350 0.001 0.000 0.294 351 T C -0.138 174.344 174.700 -0.364 0.000 1.119 351 T CA -0.602 61.411 62.100 -0.144 0.000 1.007 351 T CB 2.003 70.806 68.868 -0.109 0.000 1.225 351 T HN 0.778 nan 8.240 nan 0.000 0.515 352 G N 0.254 108.549 108.800 -0.842 0.000 2.506 352 G HA2 0.620 4.580 3.960 0.001 0.000 0.292 352 G HA3 0.620 4.580 3.960 0.001 0.000 0.292 352 G C -1.894 172.568 174.900 -0.729 0.000 1.425 352 G CA -1.022 43.569 45.100 -0.850 0.000 0.788 352 G HN 0.988 nan 8.290 nan 0.000 0.490 353 K N -1.771 118.609 120.400 -0.035 0.000 2.349 353 K HA 0.851 5.172 4.320 0.001 0.000 0.243 353 K C -1.819 175.100 176.600 0.531 0.000 1.058 353 K CA -1.147 55.303 56.287 0.272 0.000 0.871 353 K CB 2.611 35.215 32.500 0.173 0.000 1.337 353 K HN 0.640 nan 8.250 nan 0.000 0.469 354 Y N -0.514 119.957 120.300 0.285 0.000 2.313 354 Y HA 0.541 5.091 4.550 0.001 0.000 0.320 354 Y C -1.681 174.334 175.900 0.193 0.000 1.171 354 Y CA -1.208 57.001 58.100 0.181 0.000 1.093 354 Y CB 1.723 40.219 38.460 0.060 0.000 1.224 354 Y HN 0.835 nan 8.280 nan 0.000 0.421 355 A N 5.829 128.765 122.820 0.193 0.000 2.630 355 A HA 0.336 4.657 4.320 0.001 0.000 0.287 355 A C 0.176 177.724 177.584 -0.061 0.000 1.040 355 A CA -0.498 51.535 52.037 -0.005 0.000 0.971 355 A CB 0.157 19.205 19.000 0.080 0.000 1.241 355 A HN 0.544 nan 8.150 nan 0.000 0.558 356 R N 0.642 121.108 120.500 -0.058 0.000 2.347 356 R HA 0.437 4.777 4.340 0.001 0.000 0.304 356 R C -0.482 175.779 176.300 -0.065 0.000 1.072 356 R CA -0.166 55.974 56.100 0.066 0.000 0.980 356 R CB 0.289 30.784 30.300 0.324 0.000 0.986 356 R HN 0.372 nan 8.270 nan 0.000 0.448 357 M N 5.369 124.960 119.600 -0.015 0.000 3.117 357 M HA 0.235 4.715 4.480 0.001 0.000 0.292 357 M C -0.147 176.159 176.300 0.010 0.000 1.357 357 M CA -0.031 55.257 55.300 -0.020 0.000 1.463 357 M CB 0.611 33.206 32.600 -0.008 0.000 1.105 357 M HN 0.278 nan 8.290 nan 0.000 0.553 358 R N 1.892 122.406 120.500 0.024 0.000 2.351 358 R HA 0.453 4.794 4.340 0.001 0.000 0.318 358 R C 0.561 176.878 176.300 0.029 0.000 1.055 358 R CA 0.350 56.474 56.100 0.041 0.000 0.968 358 R CB 0.378 30.716 30.300 0.062 0.000 0.974 358 R HN 0.884 nan 8.270 nan 0.000 0.439 359 G N 1.056 109.870 108.800 0.023 0.000 2.422 359 G HA2 0.010 3.970 3.960 0.001 0.000 0.607 359 G HA3 0.010 3.970 3.960 0.001 0.000 0.607 359 G C -0.337 174.540 174.900 -0.039 0.000 1.270 359 G CA -0.272 44.835 45.100 0.012 0.000 0.992 359 G HN 0.567 nan 8.290 nan 0.000 0.499 360 A N -1.709 121.040 122.820 -0.118 0.000 2.377 360 A HA 0.560 4.881 4.320 0.001 0.000 0.209 360 A C 0.422 177.788 177.584 -0.363 0.000 1.359 360 A CA 0.946 52.814 52.037 -0.281 0.000 1.026 360 A CB 0.478 19.215 19.000 -0.439 0.000 1.224 360 A HN 1.151 nan 8.150 nan 0.000 0.528 361 H N 1.223 120.341 119.070 0.080 0.000 2.651 361 H HA 0.431 4.987 4.556 0.001 0.000 0.252 361 H C -0.564 174.819 175.328 0.092 0.000 1.365 361 H CA 0.370 56.468 56.048 0.083 0.000 1.539 361 H CB 0.334 30.146 29.762 0.083 0.000 1.621 361 H HN 0.406 nan 8.280 nan 0.000 0.526 362 T N -0.273 114.377 114.554 0.160 0.000 2.804 362 T HA 0.556 4.906 4.350 0.001 0.000 0.290 362 T C 0.240 174.966 174.700 0.043 0.000 1.099 362 T CA -0.980 61.176 62.100 0.094 0.000 1.011 362 T CB 2.404 71.296 68.868 0.040 0.000 1.291 362 T HN 0.462 nan 8.240 nan 0.000 0.523 363 N N -0.835 117.834 118.700 -0.053 0.000 3.002 363 N HA 0.485 5.225 4.740 0.001 0.000 0.331 363 N C -0.348 175.076 175.510 -0.143 0.000 1.384 363 N CA -0.809 52.176 53.050 -0.110 0.000 0.780 363 N CB 0.213 38.581 38.487 -0.197 0.000 1.492 363 N HN 0.454 nan 8.380 nan 0.000 0.608 364 D N -1.267 119.040 120.400 -0.154 0.000 2.355 364 D HA 0.065 4.705 4.640 0.001 0.000 0.218 364 D C 1.203 177.435 176.300 -0.113 0.000 1.004 364 D CA 0.362 54.355 54.000 -0.010 0.000 0.880 364 D CB 0.089 40.875 40.800 -0.023 0.000 0.911 364 D HN 0.292 nan 8.370 nan 0.000 0.528 365 V N 0.234 119.912 119.914 -0.393 0.000 2.725 365 V HA -0.072 4.049 4.120 0.001 0.000 0.247 365 V C 2.144 177.879 176.094 -0.598 0.000 1.058 365 V CA 0.991 62.966 62.300 -0.542 0.000 1.080 365 V CB -0.056 31.274 31.823 -0.822 0.000 0.713 365 V HN 0.085 nan 8.190 nan 0.000 0.465 366 K N -0.004 120.039 120.400 -0.595 0.000 2.002 366 K HA -0.193 4.127 4.320 0.001 0.000 0.209 366 K C 2.290 178.708 176.600 -0.303 0.000 1.048 366 K CA 1.676 57.726 56.287 -0.396 0.000 0.930 366 K CB -0.194 32.157 32.500 -0.248 0.000 0.714 366 K HN 0.511 nan 8.250 nan 0.000 0.438 367 Q N 0.592 120.220 119.800 -0.286 0.000 2.061 367 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 367 Q C 2.204 177.801 176.000 -0.673 0.000 0.984 367 Q CA 1.231 56.814 55.803 -0.366 0.000 0.846 367 Q CB -0.310 28.289 28.738 -0.233 0.000 0.902 367 Q HN 0.169 nan 8.270 nan 0.000 0.421 368 L N 1.251 121.966 121.223 -0.847 0.000 2.081 368 L HA -0.209 4.131 4.340 0.001 0.000 0.212 368 L C 2.250 178.692 176.870 -0.714 0.000 1.080 368 L CA 2.439 56.664 54.840 -1.025 0.000 0.754 368 L CB -0.875 40.792 42.059 -0.655 0.000 0.893 368 L HN 0.361 nan 8.230 nan 0.000 0.433 369 T N -3.800 110.420 114.554 -0.557 0.000 2.896 369 T HA -0.104 4.246 4.350 0.001 0.000 0.263 369 T C 1.670 176.154 174.700 -0.361 0.000 1.050 369 T CA 0.967 62.777 62.100 -0.483 0.000 1.140 369 T CB -0.501 68.183 68.868 -0.307 0.000 0.877 369 T HN 0.434 nan 8.240 nan 0.000 0.457 370 E N 1.713 121.764 120.200 -0.249 0.000 2.130 370 E HA -0.112 4.239 4.350 0.001 0.000 0.196 370 E C 2.504 178.950 176.600 -0.257 0.000 0.998 370 E CA 1.142 57.472 56.400 -0.116 0.000 0.806 370 E CB -0.314 29.455 29.700 0.115 0.000 0.738 370 E HN 0.671 nan 8.360 nan 0.000 0.459 371 A N 0.795 123.464 122.820 -0.252 0.000 1.855 371 A HA -0.098 4.222 4.320 0.001 0.000 0.213 371 A C 2.504 179.807 177.584 -0.469 0.000 1.195 371 A CA 0.933 52.725 52.037 -0.408 0.000 0.610 371 A CB -0.660 18.197 19.000 -0.238 0.000 0.837 371 A HN 0.113 nan 8.150 nan 0.000 0.444 372 V N 0.133 119.729 119.914 -0.529 0.000 2.439 372 V HA -0.376 3.745 4.120 0.001 0.000 0.253 372 V C 2.635 178.476 176.094 -0.422 0.000 1.074 372 V CA 2.483 64.389 62.300 -0.657 0.000 1.076 372 V CB -1.061 30.149 31.823 -1.023 0.000 0.664 372 V HN 0.626 nan 8.190 nan 0.000 0.461 373 Q N 0.123 119.702 119.800 -0.368 0.000 1.942 373 Q HA -0.215 4.125 4.340 0.001 0.000 0.203 373 Q C 2.311 178.175 176.000 -0.226 0.000 0.987 373 Q CA 2.102 57.756 55.803 -0.249 0.000 0.844 373 Q CB -0.397 28.208 28.738 -0.222 0.000 0.911 373 Q HN 0.490 nan 8.270 nan 0.000 0.423 374 K N 0.631 120.834 120.400 -0.329 0.000 2.077 374 K HA -0.198 4.122 4.320 0.001 0.000 0.213 374 K C 1.650 178.116 176.600 -0.224 0.000 1.051 374 K CA 1.844 57.940 56.287 -0.318 0.000 0.929 374 K CB -0.625 31.557 32.500 -0.529 0.000 0.715 374 K HN 0.314 nan 8.250 nan 0.000 0.451 375 I N 0.173 120.581 120.570 -0.271 0.000 2.614 375 I HA -0.241 3.929 4.170 0.001 0.000 0.258 375 I C 1.603 177.718 176.117 -0.003 0.000 1.189 375 I CA 1.364 62.553 61.300 -0.185 0.000 1.462 375 I CB -0.346 37.515 38.000 -0.232 0.000 1.092 375 I HN 0.292 nan 8.210 nan 0.000 0.442 376 T N -0.615 113.955 114.554 0.026 0.000 2.739 376 T HA -0.101 4.249 4.350 0.001 0.000 0.249 376 T C 1.889 176.605 174.700 0.027 0.000 1.050 376 T CA 1.541 63.681 62.100 0.068 0.000 1.165 376 T CB -0.557 68.348 68.868 0.062 0.000 0.872 376 T HN 0.204 nan 8.240 nan 0.000 0.411 377 T N 1.885 116.432 114.554 -0.011 0.000 2.527 377 T HA -0.279 4.071 4.350 0.001 0.000 0.258 377 T C 1.870 176.563 174.700 -0.010 0.000 1.175 377 T CA 2.219 64.309 62.100 -0.016 0.000 1.168 377 T CB -0.611 68.230 68.868 -0.045 0.000 0.860 377 T HN 0.577 nan 8.240 nan 0.000 0.429 378 E N 0.132 120.318 120.200 -0.023 0.000 2.086 378 E HA -0.229 4.122 4.350 0.001 0.000 0.205 378 E C 2.379 178.990 176.600 0.018 0.000 1.027 378 E CA 1.738 58.128 56.400 -0.017 0.000 0.830 378 E CB -0.374 29.330 29.700 0.006 0.000 0.751 378 E HN 0.424 nan 8.360 nan 0.000 0.456 379 S N -0.496 115.273 115.700 0.114 0.000 2.419 379 S HA -0.125 4.345 4.470 0.001 0.000 0.235 379 S C 1.903 176.630 174.600 0.212 0.000 1.019 379 S CA 1.134 59.511 58.200 0.296 0.000 0.982 379 S CB -0.338 62.997 63.200 0.225 0.000 0.789 379 S HN 0.353 nan 8.310 nan 0.000 0.490 380 I N 0.570 121.193 120.570 0.087 0.000 2.277 380 I HA -0.076 4.094 4.170 0.001 0.000 0.243 380 I C 2.295 178.413 176.117 0.002 0.000 1.094 380 I CA 0.725 62.061 61.300 0.059 0.000 1.393 380 I CB -0.707 37.316 38.000 0.039 0.000 1.078 380 I HN 0.157 nan 8.210 nan 0.000 0.417 381 V N 1.636 121.527 119.914 -0.038 0.000 2.317 381 V HA -0.316 3.804 4.120 0.001 0.000 0.251 381 V C 2.275 178.268 176.094 -0.168 0.000 1.065 381 V CA 2.176 64.424 62.300 -0.087 0.000 1.049 381 V CB -0.407 31.358 31.823 -0.097 0.000 0.651 381 V HN 0.358 nan 8.190 nan 0.000 0.450 382 I N -2.482 117.904 120.570 -0.306 0.000 2.494 382 I HA -0.082 4.088 4.170 0.001 0.000 0.250 382 I C 2.033 177.732 176.117 -0.697 0.000 1.112 382 I CA 1.061 61.985 61.300 -0.627 0.000 1.438 382 I CB -0.114 37.166 38.000 -1.200 0.000 1.111 382 I HN 0.376 nan 8.210 nan 0.000 0.431 383 W N 0.341 121.542 121.300 -0.166 0.000 2.975 383 W HA 0.343 5.003 4.660 0.001 0.000 0.316 383 W C 1.413 177.851 176.519 -0.135 0.000 1.131 383 W CA 0.658 57.839 57.345 -0.275 0.000 1.624 383 W CB -0.152 29.021 29.460 -0.478 0.000 1.038 383 W HN 0.266 nan 8.180 nan 0.000 0.571 384 G N 2.313 111.164 108.800 0.085 0.000 2.225 384 G HA2 -0.311 3.650 3.960 0.001 0.000 0.267 384 G HA3 -0.311 3.650 3.960 0.001 0.000 0.267 384 G C 0.148 175.105 174.900 0.095 0.000 1.024 384 G CA 0.978 46.119 45.100 0.067 0.000 0.784 384 G HN 0.244 nan 8.290 nan 0.000 0.507 385 K N -1.382 119.091 120.400 0.122 0.000 2.439 385 K HA 0.732 5.053 4.320 0.001 0.000 0.260 385 K C -0.939 175.703 176.600 0.071 0.000 1.032 385 K CA -0.246 56.097 56.287 0.093 0.000 0.882 385 K CB 2.042 34.596 32.500 0.091 0.000 1.420 385 K HN 0.147 nan 8.250 nan 0.000 0.455 386 T N 1.922 116.493 114.554 0.028 0.000 2.841 386 T HA 0.527 4.877 4.350 0.001 0.000 0.285 386 T C -2.727 171.916 174.700 -0.095 0.000 0.991 386 T CA -1.874 60.230 62.100 0.005 0.000 0.966 386 T CB 1.377 70.281 68.868 0.061 0.000 0.962 386 T HN 0.213 nan 8.240 nan 0.000 0.438 387 P HA 0.309 nan 4.420 nan 0.000 0.272 387 P C -0.783 176.232 177.300 -0.475 0.000 1.230 387 P CA -0.435 62.375 63.100 -0.484 0.000 0.788 387 P CB 0.456 31.671 31.700 -0.809 0.000 0.949 388 K N 1.325 121.473 120.400 -0.419 0.000 2.156 388 K HA 0.417 4.737 4.320 0.001 0.000 0.271 388 K C -0.497 175.898 176.600 -0.342 0.000 0.995 388 K CA -0.312 55.842 56.287 -0.222 0.000 0.890 388 K CB 0.549 32.956 32.500 -0.155 0.000 1.073 388 K HN 0.340 nan 8.250 nan 0.000 0.454 389 F N 1.500 121.404 119.950 -0.077 0.000 2.432 389 F HA 0.370 4.897 4.527 0.001 0.000 0.329 389 F C 0.524 176.339 175.800 0.024 0.000 1.076 389 F CA -0.653 57.311 58.000 -0.059 0.000 1.018 389 F CB 1.338 40.282 39.000 -0.094 0.000 1.201 389 F HN 0.109 nan 8.300 nan 0.000 0.489 390 K N 3.347 123.873 120.400 0.211 0.000 2.502 390 K HA 0.595 4.916 4.320 0.001 0.000 0.254 390 K C -1.504 175.221 176.600 0.208 0.000 0.947 390 K CA -0.449 55.932 56.287 0.157 0.000 0.834 390 K CB 1.687 34.222 32.500 0.059 0.000 1.112 390 K HN 0.485 nan 8.250 nan 0.000 0.427 391 L N 3.978 125.388 121.223 0.311 0.000 2.362 391 L HA 0.435 4.775 4.340 0.001 0.000 0.271 391 L C -2.304 174.758 176.870 0.321 0.000 1.002 391 L CA -2.245 52.768 54.840 0.289 0.000 0.818 391 L CB 2.261 44.452 42.059 0.219 0.000 1.298 391 L HN 0.334 nan 8.230 nan 0.000 0.420 392 P HA 0.256 nan 4.420 nan 0.000 0.225 392 P C -0.868 176.642 177.300 0.350 0.000 1.768 392 P CA 0.450 63.694 63.100 0.240 0.000 0.943 392 P CB -0.215 31.565 31.700 0.133 0.000 1.936 393 I N -0.919 119.987 120.570 0.560 0.000 2.690 393 I HA 0.142 4.312 4.170 0.001 0.000 0.286 393 I C -0.926 175.368 176.117 0.295 0.000 1.313 393 I CA -0.836 60.658 61.300 0.323 0.000 1.070 393 I CB 1.602 39.672 38.000 0.115 0.000 1.323 393 I HN -0.240 nan 8.210 nan 0.000 0.432 394 Q N 4.856 124.582 119.800 -0.124 0.000 2.304 394 Q HA -0.112 4.228 4.340 0.001 0.000 0.315 394 Q C 0.630 176.646 176.000 0.028 0.000 1.075 394 Q CA 0.452 55.999 55.803 -0.427 0.000 0.988 394 Q CB 0.765 29.323 28.738 -0.299 0.000 1.146 394 Q HN 0.502 nan 8.270 nan 0.000 0.383 395 K N 2.757 123.101 120.400 -0.093 0.000 2.520 395 K HA -0.176 4.145 4.320 0.001 0.000 0.197 395 K C 1.281 178.031 176.600 0.249 0.000 1.043 395 K CA 1.292 57.634 56.287 0.092 0.000 0.944 395 K CB 0.177 32.590 32.500 -0.146 0.000 0.770 395 K HN 0.602 nan 8.250 nan 0.000 0.480 396 E N -1.973 118.316 120.200 0.148 0.000 2.134 396 E HA -0.019 4.331 4.350 0.001 0.000 0.194 396 E C 1.249 177.961 176.600 0.186 0.000 0.937 396 E CA 0.746 57.232 56.400 0.142 0.000 0.874 396 E CB 0.221 29.947 29.700 0.042 0.000 0.853 396 E HN 0.203 nan 8.360 nan 0.000 0.471 397 T N 1.390 116.030 114.554 0.144 0.000 2.718 397 T HA -0.266 4.085 4.350 0.001 0.000 0.266 397 T C 1.232 176.093 174.700 0.268 0.000 1.033 397 T CA 1.692 63.881 62.100 0.148 0.000 1.151 397 T CB -0.486 68.444 68.868 0.103 0.000 0.853 397 T HN 0.433 nan 8.240 nan 0.000 0.466 398 W N 1.616 123.015 121.300 0.165 0.000 2.413 398 W HA -0.025 4.635 4.660 0.001 0.000 0.315 398 W C 2.243 179.009 176.519 0.412 0.000 1.186 398 W CA 0.962 58.457 57.345 0.250 0.000 1.326 398 W CB -0.211 29.414 29.460 0.275 0.000 1.153 398 W HN 0.245 nan 8.180 nan 0.000 0.489 399 E N -0.162 120.271 120.200 0.390 0.000 2.393 399 E HA -0.190 4.161 4.350 0.001 0.000 0.201 399 E C 1.765 178.190 176.600 -0.291 0.000 1.025 399 E CA 1.457 57.951 56.400 0.157 0.000 0.856 399 E CB 0.151 30.007 29.700 0.260 0.000 0.771 399 E HN 0.196 nan 8.360 nan 0.000 0.526 400 T N 0.036 114.523 114.554 -0.111 0.000 2.755 400 T HA -0.118 4.232 4.350 0.001 0.000 0.251 400 T C 1.213 175.796 174.700 -0.194 0.000 1.044 400 T CA 0.720 62.735 62.100 -0.142 0.000 1.154 400 T CB -0.441 68.422 68.868 -0.008 0.000 0.866 400 T HN 0.427 nan 8.240 nan 0.000 0.416 401 W N 2.256 123.384 121.300 -0.287 0.000 2.317 401 W HA -0.168 4.492 4.660 0.001 0.000 0.318 401 W C 2.302 178.599 176.519 -0.370 0.000 1.227 401 W CA 1.800 58.950 57.345 -0.324 0.000 1.269 401 W CB -0.634 28.640 29.460 -0.310 0.000 1.155 401 W HN 0.525 nan 8.180 nan 0.000 0.484 402 W N 0.923 121.938 121.300 -0.475 0.000 2.381 402 W HA -0.112 4.548 4.660 0.001 0.000 0.301 402 W C 1.763 178.100 176.519 -0.304 0.000 1.205 402 W CA 1.588 58.646 57.345 -0.478 0.000 1.285 402 W CB -1.660 27.416 29.460 -0.640 0.000 1.133 402 W HN -0.185 nan 8.180 nan 0.000 0.521 403 T N 1.294 115.085 114.554 -1.272 0.000 3.051 403 T HA -0.106 4.244 4.350 0.001 0.000 0.269 403 T C 1.227 175.598 174.700 -0.547 0.000 1.127 403 T CA 1.497 62.872 62.100 -1.209 0.000 1.107 403 T CB -0.135 67.960 68.868 -1.288 0.000 0.898 403 T HN 0.149 nan 8.240 nan 0.000 0.517 404 E N -0.798 119.136 120.200 -0.443 0.000 2.601 404 E HA 0.141 4.491 4.350 0.001 0.000 0.219 404 E C -0.570 175.854 176.600 -0.293 0.000 0.964 404 E CA -0.210 56.006 56.400 -0.307 0.000 1.050 404 E CB 0.391 29.930 29.700 -0.267 0.000 1.068 404 E HN 0.448 nan 8.360 nan 0.000 0.496 405 Y N 1.413 121.346 120.300 -0.611 0.000 2.308 405 Y HA 0.100 4.650 4.550 0.001 0.000 0.329 405 Y C 0.978 176.650 175.900 -0.380 0.000 1.111 405 Y CA -1.558 56.084 58.100 -0.763 0.000 1.179 405 Y CB 0.441 38.185 38.460 -1.193 0.000 1.201 405 Y HN 0.018 nan 8.280 nan 0.000 0.483 406 W N 1.963 122.851 121.300 -0.686 0.000 2.421 406 W HA 0.012 4.673 4.660 0.001 0.000 0.270 406 W C -0.309 175.969 176.519 -0.402 0.000 1.233 406 W CA 0.241 57.296 57.345 -0.485 0.000 1.226 406 W CB -0.596 28.582 29.460 -0.470 0.000 1.121 406 W HN 0.412 nan 8.180 nan 0.000 0.579 407 Q N 0.888 120.236 119.800 -0.754 0.000 2.230 407 Q HA 0.528 4.868 4.340 0.001 0.000 0.253 407 Q C -0.300 175.698 176.000 -0.003 0.000 0.919 407 Q CA -0.520 55.132 55.803 -0.252 0.000 0.908 407 Q CB 1.615 30.186 28.738 -0.278 0.000 1.245 407 Q HN 0.123 nan 8.270 nan 0.000 0.437 408 A N 2.249 125.109 122.820 0.068 0.000 2.404 408 A HA 0.396 4.716 4.320 0.001 0.000 0.273 408 A C -0.290 177.395 177.584 0.167 0.000 1.144 408 A CA 0.099 52.205 52.037 0.114 0.000 0.806 408 A CB 0.309 19.350 19.000 0.068 0.000 1.080 408 A HN 0.603 nan 8.150 nan 0.000 0.509 409 T N 1.843 116.536 114.554 0.233 0.000 2.924 409 T HA 0.619 4.970 4.350 0.001 0.000 0.291 409 T C -1.316 173.621 174.700 0.396 0.000 1.045 409 T CA -0.127 62.157 62.100 0.306 0.000 1.015 409 T CB 1.024 70.130 68.868 0.396 0.000 1.103 409 T HN 0.734 nan 8.240 nan 0.000 0.496 410 W N 1.862 123.242 121.300 0.134 0.000 3.118 410 W HA 0.759 5.419 4.660 0.001 0.000 0.328 410 W C -2.304 174.172 176.519 -0.072 0.000 1.239 410 W CA -1.062 56.322 57.345 0.066 0.000 1.176 410 W CB 1.020 30.458 29.460 -0.037 0.000 1.433 410 W HN 0.525 nan 8.180 nan 0.000 0.562 411 I N 4.667 124.529 120.570 -1.180 0.000 2.656 411 I HA 0.298 4.468 4.170 0.001 0.000 0.292 411 I C -2.110 172.867 176.117 -1.900 0.000 1.144 411 I CA -2.082 58.398 61.300 -1.366 0.000 1.038 411 I CB 2.471 39.571 38.000 -1.501 0.000 1.244 411 I HN 0.068 nan 8.210 nan 0.000 0.420 412 P HA 0.048 nan 4.420 nan 0.000 0.302 412 P C -0.752 176.369 177.300 -0.299 0.000 1.301 412 P CA -0.450 62.093 63.100 -0.927 0.000 0.745 412 P CB 0.364 31.875 31.700 -0.315 0.000 1.331 413 E N 0.693 120.889 120.200 -0.007 0.000 2.465 413 E HA 0.048 4.398 4.350 0.001 0.000 0.260 413 E C -0.992 175.743 176.600 0.225 0.000 0.980 413 E CA -0.039 56.430 56.400 0.114 0.000 0.927 413 E CB 0.101 29.850 29.700 0.082 0.000 0.934 413 E HN 0.301 nan 8.360 nan 0.000 0.459 414 W N 2.940 124.197 121.300 -0.072 0.000 3.066 414 W HA 0.543 5.204 4.660 0.001 0.000 0.330 414 W C -1.598 174.907 176.519 -0.024 0.000 1.253 414 W CA -0.893 56.422 57.345 -0.050 0.000 1.187 414 W CB 0.479 29.849 29.460 -0.151 0.000 1.434 414 W HN 0.516 nan 8.180 nan 0.000 0.572 415 E N 0.934 121.017 120.200 -0.196 0.000 2.393 415 E HA 0.428 4.779 4.350 0.001 0.000 0.273 415 E C -1.738 174.755 176.600 -0.178 0.000 0.918 415 E CA -1.066 55.101 56.400 -0.388 0.000 0.773 415 E CB 3.161 32.760 29.700 -0.169 0.000 1.275 415 E HN 0.223 nan 8.360 nan 0.000 0.451 416 F N 1.988 121.726 119.950 -0.353 0.000 2.443 416 F HA 0.340 4.867 4.527 0.001 0.000 0.353 416 F C -0.610 175.178 175.800 -0.020 0.000 1.101 416 F CA -0.526 57.404 58.000 -0.116 0.000 1.226 416 F CB 0.951 39.881 39.000 -0.117 0.000 1.140 416 F HN 0.110 nan 8.300 nan 0.000 0.557 417 V N 7.423 126.893 119.914 -0.740 0.000 2.357 417 V HA 0.273 4.393 4.120 0.001 0.000 0.281 417 V C -0.609 174.823 176.094 -1.103 0.000 1.015 417 V CA -0.751 61.141 62.300 -0.680 0.000 0.827 417 V CB 0.792 32.465 31.823 -0.249 0.000 1.018 417 V HN 0.805 nan 8.190 nan 0.000 0.432 418 N N 4.360 122.352 118.700 -1.180 0.000 2.744 418 N HA 0.075 4.815 4.740 0.001 0.000 0.290 418 N C -0.084 175.272 175.510 -0.257 0.000 1.206 418 N CA 0.623 53.259 53.050 -0.691 0.000 1.119 418 N CB 0.154 38.527 38.487 -0.189 0.000 1.449 418 N HN 0.660 nan 8.380 nan 0.000 0.514 419 T N 3.650 118.085 114.554 -0.199 0.000 3.410 419 T HA 0.293 4.643 4.350 0.001 0.000 0.328 419 T C -2.692 171.991 174.700 -0.028 0.000 1.567 419 T CA -1.710 60.339 62.100 -0.085 0.000 1.626 419 T CB 0.146 68.963 68.868 -0.086 0.000 0.939 419 T HN 0.296 nan 8.240 nan 0.000 0.656 420 P HA 0.121 nan 4.420 nan 0.000 0.271 420 P C -2.441 174.857 177.300 -0.003 0.000 1.212 420 P CA -0.737 62.378 63.100 0.025 0.000 0.788 420 P CB -0.572 31.156 31.700 0.047 0.000 0.865 421 P HA 0.069 nan 4.420 nan 0.000 0.264 421 P C -0.108 177.189 177.300 -0.004 0.000 1.179 421 P CA 0.566 63.655 63.100 -0.018 0.000 0.763 421 P CB 0.235 31.889 31.700 -0.077 0.000 0.806 422 L N 1.866 123.104 121.223 0.026 0.000 2.352 422 L HA 0.448 4.788 4.340 0.001 0.000 0.269 422 L C -0.030 176.816 176.870 -0.040 0.000 1.034 422 L CA -1.219 53.660 54.840 0.066 0.000 0.806 422 L CB 1.628 43.779 42.059 0.154 0.000 1.244 422 L HN 0.063 nan 8.230 nan 0.000 0.447 423 V N 2.145 122.050 119.914 -0.014 0.000 2.439 423 V HA 0.444 4.564 4.120 0.001 0.000 0.282 423 V C -0.305 175.689 176.094 -0.165 0.000 1.039 423 V CA -0.357 61.871 62.300 -0.121 0.000 0.913 423 V CB 1.500 33.310 31.823 -0.021 0.000 0.983 423 V HN 0.822 nan 8.190 nan 0.000 0.460 424 K N 4.512 124.702 120.400 -0.350 0.000 2.587 424 K HA 0.532 4.852 4.320 0.001 0.000 0.276 424 K C -1.633 174.715 176.600 -0.419 0.000 0.956 424 K CA -1.063 55.045 56.287 -0.299 0.000 0.857 424 K CB 1.427 33.811 32.500 -0.194 0.000 1.431 424 K HN 0.379 nan 8.250 nan 0.000 0.420 425 L N 2.134 123.235 121.223 -0.203 0.000 2.500 425 L HA 0.156 4.497 4.340 0.001 0.000 0.272 425 L C 0.532 177.391 176.870 -0.018 0.000 1.149 425 L CA -0.413 54.328 54.840 -0.165 0.000 0.897 425 L CB -0.143 41.882 42.059 -0.056 0.000 1.178 425 L HN 0.657 nan 8.230 nan 0.000 0.473 426 W N 3.984 125.197 121.300 -0.145 0.000 2.747 426 W HA -0.058 4.603 4.660 0.001 0.000 0.244 426 W C 0.208 176.778 176.519 0.086 0.000 1.270 426 W CA -0.349 56.981 57.345 -0.026 0.000 1.333 426 W CB -0.015 29.475 29.460 0.051 0.000 1.139 426 W HN 0.643 nan 8.180 nan 0.000 0.662 427 Y N -3.813 116.655 120.300 0.280 0.000 2.879 427 Y HA 0.280 4.830 4.550 0.001 0.000 0.385 427 Y C -1.101 174.877 175.900 0.131 0.000 1.153 427 Y CA -1.733 56.469 58.100 0.170 0.000 1.245 427 Y CB -0.002 38.536 38.460 0.131 0.000 1.472 427 Y HN -0.345 nan 8.280 nan 0.000 0.490 428 Q N 1.603 121.624 119.800 0.369 0.000 2.495 428 Q HA 0.666 5.006 4.340 0.001 0.000 0.283 428 Q C -1.498 174.674 176.000 0.288 0.000 1.097 428 Q CA -1.119 54.831 55.803 0.246 0.000 0.836 428 Q CB 3.199 32.018 28.738 0.135 0.000 1.426 428 Q HN 0.812 nan 8.270 nan 0.000 0.459 429 L N 1.640 122.972 121.223 0.181 0.000 2.349 429 L HA 0.298 4.638 4.340 0.001 0.000 0.278 429 L C -0.120 176.810 176.870 0.099 0.000 0.996 429 L CA -0.814 54.101 54.840 0.125 0.000 0.825 429 L CB 1.762 43.871 42.059 0.082 0.000 1.243 429 L HN 0.390 nan 8.230 nan 0.000 0.412 430 E N 3.616 123.895 120.200 0.131 0.000 2.529 430 E HA -0.021 4.330 4.350 0.001 0.000 0.259 430 E C -0.165 176.584 176.600 0.248 0.000 0.966 430 E CA 0.214 56.724 56.400 0.183 0.000 0.937 430 E CB 0.707 30.543 29.700 0.228 0.000 0.923 430 E HN 0.222 nan 8.360 nan 0.000 0.468 431 K N 2.897 123.417 120.400 0.201 0.000 3.095 431 K HA 0.164 4.484 4.320 0.001 0.000 0.220 431 K C -0.421 176.364 176.600 0.310 0.000 1.216 431 K CA -0.340 56.082 56.287 0.225 0.000 1.167 431 K CB 0.064 32.622 32.500 0.096 0.000 1.199 431 K HN 0.389 nan 8.250 nan 0.000 0.458 432 E N 0.033 120.468 120.200 0.391 0.000 2.830 432 E HA 0.202 4.553 4.350 0.001 0.000 0.333 432 E C -3.043 173.375 176.600 -0.304 0.000 0.974 432 E CA -1.474 54.944 56.400 0.031 0.000 0.819 432 E CB 0.884 30.598 29.700 0.023 0.000 1.293 432 E HN -0.135 nan 8.360 nan 0.000 0.419 433 P HA 0.009 nan 4.420 nan 0.000 0.267 433 P C -0.369 176.767 177.300 -0.273 0.000 1.175 433 P CA 0.652 63.310 63.100 -0.737 0.000 0.763 433 P CB 0.314 31.686 31.700 -0.547 0.000 0.795 434 I N 2.592 123.067 120.570 -0.158 0.000 2.306 434 I HA 0.115 4.286 4.170 0.001 0.000 0.288 434 I C 0.308 176.401 176.117 -0.039 0.000 1.036 434 I CA -1.030 60.237 61.300 -0.054 0.000 1.221 434 I CB 0.753 38.755 38.000 0.003 0.000 1.385 434 I HN 0.053 nan 8.210 nan 0.000 0.472 435 V N 5.032 124.924 119.914 -0.037 0.000 3.230 435 V HA -0.034 4.087 4.120 0.001 0.000 0.302 435 V C 1.471 177.560 176.094 -0.008 0.000 1.158 435 V CA 0.506 62.791 62.300 -0.024 0.000 1.279 435 V CB 0.075 31.886 31.823 -0.020 0.000 0.983 435 V HN 1.110 nan 8.190 nan 0.000 0.506 436 G N 2.497 111.294 108.800 -0.005 0.000 2.247 436 G HA2 0.178 4.138 3.960 0.001 0.000 0.265 436 G HA3 0.178 4.138 3.960 0.001 0.000 0.265 436 G C 0.028 174.936 174.900 0.013 0.000 0.861 436 G CA 0.417 45.519 45.100 0.003 0.000 1.289 436 G HN 1.990 nan 8.290 nan 0.000 0.403 437 A N 1.352 124.185 122.820 0.022 0.000 2.465 437 A HA 0.693 5.013 4.320 0.001 0.000 0.292 437 A C -0.029 177.595 177.584 0.067 0.000 1.041 437 A CA -0.081 51.983 52.037 0.046 0.000 0.718 437 A CB 1.002 20.029 19.000 0.045 0.000 1.266 437 A HN 0.832 nan 8.150 nan 0.000 0.403 438 E N 2.024 122.276 120.200 0.086 0.000 2.614 438 E HA 0.120 4.471 4.350 0.001 0.000 0.245 438 E C -0.389 176.303 176.600 0.153 0.000 1.039 438 E CA 0.491 56.926 56.400 0.058 0.000 0.948 438 E CB 0.235 29.955 29.700 0.034 0.000 0.937 438 E HN 0.514 nan 8.360 nan 0.000 0.498 439 T N 5.748 120.361 114.554 0.097 0.000 2.761 439 T HA 0.197 4.547 4.350 0.001 0.000 0.296 439 T C -0.559 174.263 174.700 0.203 0.000 0.934 439 T CA -0.142 62.068 62.100 0.184 0.000 1.091 439 T CB -0.050 68.930 68.868 0.187 0.000 0.896 439 T HN 0.223 nan 8.240 nan 0.000 0.515 440 F N 2.709 122.698 119.950 0.064 0.000 2.415 440 F HA 0.401 4.929 4.527 0.001 0.000 0.348 440 F C -0.088 175.770 175.800 0.096 0.000 1.119 440 F CA -1.194 56.862 58.000 0.094 0.000 1.069 440 F CB 0.829 39.790 39.000 -0.065 0.000 1.124 440 F HN 0.485 nan 8.300 nan 0.000 0.472 441 Y N 3.111 123.530 120.300 0.198 0.000 2.385 441 Y HA 0.496 5.046 4.550 0.001 0.000 0.341 441 Y C -0.011 176.011 175.900 0.202 0.000 0.965 441 Y CA -0.707 57.478 58.100 0.142 0.000 1.180 441 Y CB 1.327 39.825 38.460 0.064 0.000 1.139 441 Y HN 0.346 nan 8.280 nan 0.000 0.502 442 V N 4.082 124.131 119.914 0.225 0.000 2.769 442 V HA 0.755 4.876 4.120 0.001 0.000 0.312 442 V C -0.985 175.196 176.094 0.144 0.000 1.058 442 V CA -0.120 62.317 62.300 0.228 0.000 0.952 442 V CB 1.964 33.905 31.823 0.196 0.000 1.019 442 V HN 0.854 nan 8.190 nan 0.000 0.445 443 D N 2.003 122.487 120.400 0.140 0.000 2.804 443 D HA 0.681 5.321 4.640 0.001 0.000 0.309 443 D C -0.658 175.697 176.300 0.093 0.000 1.311 443 D CA 0.656 54.715 54.000 0.098 0.000 0.765 443 D CB 1.526 42.365 40.800 0.065 0.000 1.293 443 D HN 1.148 nan 8.370 nan 0.000 0.434 444 G N -1.096 107.751 108.800 0.078 0.000 2.368 444 G HA2 0.805 4.765 3.960 0.001 0.000 0.293 444 G HA3 0.805 4.765 3.960 0.001 0.000 0.293 444 G C -1.672 173.269 174.900 0.068 0.000 1.467 444 G CA 0.375 45.518 45.100 0.071 0.000 0.804 444 G HN 1.017 nan 8.290 nan 0.000 0.535 445 A N -1.267 121.589 122.820 0.060 0.000 2.506 445 A HA 1.170 5.490 4.320 0.001 0.000 0.305 445 A C -0.677 176.935 177.584 0.047 0.000 1.166 445 A CA 0.201 52.273 52.037 0.058 0.000 0.638 445 A CB 0.910 19.949 19.000 0.064 0.000 1.336 445 A HN 2.728 nan 8.150 nan 0.000 0.493 446 A N -0.289 122.556 122.820 0.041 0.000 2.608 446 A HA 0.673 4.993 4.320 0.001 0.000 0.292 446 A C -1.135 176.466 177.584 0.028 0.000 1.066 446 A CA -0.232 51.825 52.037 0.033 0.000 0.676 446 A CB 0.898 19.916 19.000 0.030 0.000 1.277 446 A HN 1.456 nan 8.150 nan 0.000 0.413 447 N N 0.463 119.177 118.700 0.023 0.000 2.458 447 N HA 0.276 5.016 4.740 0.001 0.000 0.270 447 N C 1.170 176.689 175.510 0.015 0.000 1.102 447 N CA -0.249 52.812 53.050 0.019 0.000 0.967 447 N CB 0.785 39.282 38.487 0.017 0.000 1.078 447 N HN 0.667 nan 8.380 nan 0.000 0.471 448 R N 1.745 122.253 120.500 0.012 0.000 2.179 448 R HA -0.222 4.119 4.340 0.001 0.000 0.238 448 R C 0.752 177.056 176.300 0.008 0.000 1.119 448 R CA 1.993 58.098 56.100 0.008 0.000 0.915 448 R CB -0.026 30.277 30.300 0.006 0.000 0.870 448 R HN 0.681 nan 8.270 nan 0.000 0.432 449 E N -0.127 120.078 120.200 0.008 0.000 2.158 449 E HA -0.048 4.302 4.350 0.001 0.000 0.191 449 E C 1.237 177.842 176.600 0.009 0.000 0.982 449 E CA 1.035 57.439 56.400 0.007 0.000 0.823 449 E CB -0.515 29.189 29.700 0.006 0.000 0.766 449 E HN 0.533 nan 8.360 nan 0.000 0.468 450 T N -0.524 114.036 114.554 0.010 0.000 2.652 450 T HA 0.115 4.466 4.350 0.001 0.000 0.319 450 T C 1.238 175.946 174.700 0.012 0.000 1.029 450 T CA -0.428 61.678 62.100 0.011 0.000 0.990 450 T CB 1.118 69.993 68.868 0.012 0.000 1.098 450 T HN -0.250 nan 8.240 nan 0.000 0.520 451 K N -0.213 120.195 120.400 0.013 0.000 1.997 451 K HA 0.170 4.491 4.320 0.001 0.000 0.212 451 K C 1.345 177.955 176.600 0.017 0.000 1.033 451 K CA 0.644 56.939 56.287 0.014 0.000 0.950 451 K CB -0.885 31.623 32.500 0.014 0.000 0.751 451 K HN 0.399 nan 8.250 nan 0.000 0.444 452 L N -0.843 120.391 121.223 0.018 0.000 2.598 452 L HA 0.270 4.610 4.340 0.001 0.000 0.202 452 L C 1.188 178.072 176.870 0.023 0.000 1.190 452 L CA 0.710 55.563 54.840 0.021 0.000 0.869 452 L CB -0.071 42.000 42.059 0.021 0.000 1.529 452 L HN 0.551 nan 8.230 nan 0.000 0.520 453 G N -1.644 107.173 108.800 0.027 0.000 2.364 453 G HA2 0.575 4.535 3.960 0.001 0.000 0.286 453 G HA3 0.575 4.535 3.960 0.001 0.000 0.286 453 G C -1.835 173.084 174.900 0.033 0.000 1.241 453 G CA -0.118 45.000 45.100 0.030 0.000 0.887 453 G HN 0.727 nan 8.290 nan 0.000 0.484 454 K N -2.074 118.349 120.400 0.038 0.000 2.755 454 K HA 0.778 5.099 4.320 0.001 0.000 0.294 454 K C -1.197 175.432 176.600 0.048 0.000 1.060 454 K CA -0.452 55.859 56.287 0.040 0.000 0.845 454 K CB 1.238 33.754 32.500 0.027 0.000 1.539 454 K HN 2.163 nan 8.250 nan 0.000 0.379 455 A N -0.362 122.487 122.820 0.050 0.000 2.608 455 A HA 0.881 5.202 4.320 0.001 0.000 0.292 455 A C -0.917 176.696 177.584 0.049 0.000 1.066 455 A CA -0.141 51.934 52.037 0.063 0.000 0.676 455 A CB 1.586 20.642 19.000 0.092 0.000 1.277 455 A HN 1.290 nan 8.150 nan 0.000 0.413 456 G N -1.077 107.758 108.800 0.058 0.000 2.554 456 G HA2 0.761 4.721 3.960 0.001 0.000 0.306 456 G HA3 0.761 4.721 3.960 0.001 0.000 0.306 456 G C -1.323 173.641 174.900 0.107 0.000 1.320 456 G CA 0.349 45.448 45.100 -0.002 0.000 0.800 456 G HN 2.112 nan 8.290 nan 0.000 0.481 457 Y N -1.998 118.378 120.300 0.126 0.000 2.829 457 Y HA 0.865 5.416 4.550 0.001 0.000 0.322 457 Y C -0.529 175.436 175.900 0.107 0.000 1.357 457 Y CA -1.253 56.953 58.100 0.176 0.000 1.081 457 Y CB 1.351 40.019 38.460 0.346 0.000 1.339 457 Y HN 1.376 nan 8.280 nan 0.000 0.469 458 V N -1.734 118.438 119.914 0.429 0.000 3.178 458 V HA 0.865 4.985 4.120 0.001 0.000 0.302 458 V C -0.596 175.525 176.094 0.044 0.000 1.262 458 V CA -0.214 62.191 62.300 0.175 0.000 1.030 458 V CB 1.173 33.026 31.823 0.049 0.000 1.074 458 V HN 1.478 nan 8.190 nan 0.000 0.438 459 T N -0.488 113.990 114.554 -0.128 0.000 2.938 459 T HA 0.479 4.829 4.350 0.001 0.000 0.285 459 T C 0.634 175.248 174.700 -0.143 0.000 1.028 459 T CA -0.030 61.902 62.100 -0.281 0.000 1.005 459 T CB 1.642 70.266 68.868 -0.407 0.000 1.157 459 T HN 1.136 nan 8.240 nan 0.000 0.550 460 N N -0.120 118.514 118.700 -0.111 0.000 2.299 460 N HA -0.022 4.718 4.740 0.001 0.000 0.187 460 N C 0.849 176.313 175.510 -0.075 0.000 1.099 460 N CA -0.077 52.927 53.050 -0.076 0.000 0.867 460 N CB -0.080 38.403 38.487 -0.007 0.000 0.974 460 N HN 0.892 nan 8.380 nan 0.000 0.477 461 K N -0.550 119.797 120.400 -0.089 0.000 2.414 461 K HA 0.334 4.654 4.320 0.001 0.000 0.204 461 K C 0.211 176.771 176.600 -0.067 0.000 1.026 461 K CA -0.025 56.222 56.287 -0.067 0.000 1.108 461 K CB 0.049 32.515 32.500 -0.056 0.000 0.855 461 K HN 0.003 nan 8.250 nan 0.000 0.517 462 G N 1.652 110.404 108.800 -0.080 0.000 2.846 462 G HA2 -0.229 3.731 3.960 0.001 0.000 0.254 462 G HA3 -0.229 3.731 3.960 0.001 0.000 0.254 462 G C -1.070 173.796 174.900 -0.057 0.000 1.017 462 G CA -0.191 44.870 45.100 -0.065 0.000 1.188 462 G HN 0.450 nan 8.290 nan 0.000 0.518 463 R N 0.889 121.354 120.500 -0.058 0.000 2.633 463 R HA 0.545 4.886 4.340 0.001 0.000 0.256 463 R C -1.114 175.185 176.300 -0.002 0.000 1.131 463 R CA -0.686 55.402 56.100 -0.021 0.000 0.994 463 R CB 1.293 31.582 30.300 -0.019 0.000 1.261 463 R HN 0.664 nan 8.270 nan 0.000 0.446 464 Q N 3.884 123.670 119.800 -0.024 0.000 2.372 464 Q HA 0.546 4.886 4.340 0.001 0.000 0.273 464 Q C -1.781 174.089 176.000 -0.216 0.000 1.078 464 Q CA -0.744 54.997 55.803 -0.103 0.000 0.806 464 Q CB 2.365 31.054 28.738 -0.082 0.000 1.332 464 Q HN 0.609 nan 8.270 nan 0.000 0.435 465 K N 1.634 121.766 120.400 -0.447 0.000 2.597 465 K HA 0.637 4.957 4.320 0.001 0.000 0.282 465 K C -1.925 174.427 176.600 -0.412 0.000 0.975 465 K CA -0.618 55.375 56.287 -0.489 0.000 0.867 465 K CB 2.215 34.272 32.500 -0.740 0.000 1.465 465 K HN 0.499 nan 8.250 nan 0.000 0.417 466 V N -1.362 118.417 119.914 -0.225 0.000 3.098 466 V HA 0.676 4.797 4.120 0.001 0.000 0.294 466 V C -1.571 174.491 176.094 -0.053 0.000 1.351 466 V CA -0.933 61.296 62.300 -0.118 0.000 0.999 466 V CB 1.632 33.410 31.823 -0.076 0.000 1.104 466 V HN 0.418 nan 8.190 nan 0.000 0.438 467 V N 2.863 122.771 119.914 -0.010 0.000 2.638 467 V HA 0.598 4.718 4.120 0.001 0.000 0.306 467 V C -2.479 173.631 176.094 0.027 0.000 1.052 467 V CA -1.524 60.785 62.300 0.017 0.000 0.885 467 V CB 2.822 34.671 31.823 0.044 0.000 0.999 467 V HN 0.929 nan 8.190 nan 0.000 0.424 468 P HA 0.244 nan 4.420 nan 0.000 0.260 468 P C -0.266 177.054 177.300 0.034 0.000 1.651 468 P CA -0.016 63.099 63.100 0.025 0.000 1.139 468 P CB 0.271 31.982 31.700 0.019 0.000 1.756 469 L N 2.441 123.688 121.223 0.040 0.000 2.476 469 L HA 0.307 4.647 4.340 0.001 0.000 0.264 469 L C 0.944 177.835 176.870 0.036 0.000 1.224 469 L CA 0.367 55.233 54.840 0.045 0.000 0.821 469 L CB -0.021 42.069 42.059 0.052 0.000 1.101 469 L HN 0.226 nan 8.230 nan 0.000 0.488 470 T N 0.729 115.304 114.554 0.035 0.000 2.881 470 T HA 0.254 4.605 4.350 0.001 0.000 0.290 470 T C 0.186 174.903 174.700 0.027 0.000 1.000 470 T CA -0.547 61.570 62.100 0.028 0.000 0.978 470 T CB 1.297 70.180 68.868 0.026 0.000 0.997 470 T HN 0.698 nan 8.240 nan 0.000 0.443 471 N N 0.233 118.947 118.700 0.023 0.000 2.713 471 N HA -0.176 4.564 4.740 0.001 0.000 0.251 471 N C 0.551 176.074 175.510 0.022 0.000 1.117 471 N CA 1.488 54.550 53.050 0.021 0.000 0.770 471 N CB -0.996 37.503 38.487 0.020 0.000 1.137 471 N HN 0.736 nan 8.380 nan 0.000 0.566 472 T N -0.123 114.447 114.554 0.027 0.000 2.715 472 T HA 0.402 4.752 4.350 0.001 0.000 0.320 472 T C 0.799 175.512 174.700 0.022 0.000 1.046 472 T CA 1.088 63.206 62.100 0.030 0.000 0.983 472 T CB 0.915 69.807 68.868 0.040 0.000 1.183 472 T HN 0.462 nan 8.240 nan 0.000 0.522 473 T N -0.924 113.642 114.554 0.019 0.000 2.792 473 T HA 0.359 4.709 4.350 0.001 0.000 0.303 473 T C 0.715 175.417 174.700 0.004 0.000 1.310 473 T CA -0.844 61.258 62.100 0.003 0.000 1.007 473 T CB 0.781 69.638 68.868 -0.018 0.000 1.335 473 T HN 0.445 nan 8.240 nan 0.000 0.504 474 N N 0.269 118.965 118.700 -0.007 0.000 2.182 474 N HA -0.165 4.576 4.740 0.001 0.000 0.192 474 N C 1.723 177.233 175.510 0.001 0.000 1.007 474 N CA 2.051 55.103 53.050 0.003 0.000 0.873 474 N CB -0.352 38.131 38.487 -0.006 0.000 0.998 474 N HN 0.631 nan 8.380 nan 0.000 0.436 475 Q N -0.262 119.499 119.800 -0.066 0.000 2.287 475 Q HA 0.211 4.551 4.340 0.001 0.000 0.201 475 Q C 1.339 177.400 176.000 0.102 0.000 0.946 475 Q CA 0.482 56.242 55.803 -0.072 0.000 0.868 475 Q CB 0.109 28.473 28.738 -0.624 0.000 0.967 475 Q HN 0.135 nan 8.270 nan 0.000 0.516 476 K N 0.625 121.062 120.400 0.061 0.000 2.520 476 K HA -0.153 4.168 4.320 0.001 0.000 0.197 476 K C 1.581 178.242 176.600 0.102 0.000 1.044 476 K CA 1.535 57.882 56.287 0.100 0.000 0.938 476 K CB -0.083 32.453 32.500 0.061 0.000 0.767 476 K HN 0.457 nan 8.250 nan 0.000 0.481 477 T N -2.558 112.057 114.554 0.101 0.000 2.980 477 T HA -0.053 4.297 4.350 0.001 0.000 0.239 477 T C 1.774 176.547 174.700 0.122 0.000 1.011 477 T CA 0.361 62.522 62.100 0.101 0.000 1.171 477 T CB -0.167 68.751 68.868 0.083 0.000 0.873 477 T HN 0.023 nan 8.240 nan 0.000 0.431 478 E N 1.705 121.988 120.200 0.138 0.000 2.086 478 E HA -0.128 4.223 4.350 0.001 0.000 0.200 478 E C 2.021 178.700 176.600 0.130 0.000 1.012 478 E CA 1.531 58.016 56.400 0.142 0.000 0.812 478 E CB -0.874 28.930 29.700 0.172 0.000 0.743 478 E HN 0.626 nan 8.360 nan 0.000 0.453 479 L N -0.274 121.033 121.223 0.140 0.000 1.988 479 L HA -0.188 4.153 4.340 0.001 0.000 0.207 479 L C 2.744 179.680 176.870 0.110 0.000 1.071 479 L CA 1.555 56.452 54.840 0.095 0.000 0.744 479 L CB -0.752 41.359 42.059 0.085 0.000 0.893 479 L HN 0.225 nan 8.230 nan 0.000 0.433 480 Q N 0.319 120.189 119.800 0.115 0.000 2.242 480 Q HA -0.255 4.086 4.340 0.001 0.000 0.211 480 Q C 1.976 178.109 176.000 0.221 0.000 0.992 480 Q CA 2.303 58.193 55.803 0.145 0.000 0.889 480 Q CB -0.231 28.580 28.738 0.120 0.000 0.913 480 Q HN 0.502 nan 8.270 nan 0.000 0.422 481 A N -0.149 122.775 122.820 0.173 0.000 1.855 481 A HA -0.027 4.293 4.320 0.001 0.000 0.213 481 A C 2.003 179.683 177.584 0.160 0.000 1.195 481 A CA 1.164 53.308 52.037 0.178 0.000 0.610 481 A CB -0.593 18.501 19.000 0.157 0.000 0.837 481 A HN 0.444 nan 8.150 nan 0.000 0.444 482 I N -0.899 119.741 120.570 0.116 0.000 2.800 482 I HA -0.249 3.922 4.170 0.001 0.000 0.266 482 I C 2.303 178.449 176.117 0.049 0.000 1.249 482 I CA 1.258 62.585 61.300 0.045 0.000 1.458 482 I CB -0.446 37.566 38.000 0.021 0.000 1.093 482 I HN 0.543 nan 8.210 nan 0.000 0.466 483 Y N 1.914 122.197 120.300 -0.028 0.000 2.263 483 Y HA -0.139 4.412 4.550 0.001 0.000 0.292 483 Y C 2.120 177.990 175.900 -0.050 0.000 1.130 483 Y CA 1.370 59.447 58.100 -0.039 0.000 1.179 483 Y CB -0.264 38.194 38.460 -0.002 0.000 0.998 483 Y HN 0.030 nan 8.280 nan 0.000 0.532 484 L N -0.174 120.971 121.223 -0.129 0.000 2.023 484 L HA -0.070 4.271 4.340 0.001 0.000 0.205 484 L C 2.647 179.337 176.870 -0.300 0.000 1.073 484 L CA 1.062 55.780 54.840 -0.203 0.000 0.745 484 L CB -1.325 40.805 42.059 0.119 0.000 0.900 484 L HN 0.192 nan 8.230 nan 0.000 0.435 485 A N -0.168 122.427 122.820 -0.375 0.000 2.298 485 A HA -0.130 4.190 4.320 0.001 0.000 0.215 485 A C 2.090 179.187 177.584 -0.812 0.000 1.193 485 A CA 1.380 52.862 52.037 -0.926 0.000 0.697 485 A CB -0.633 17.919 19.000 -0.747 0.000 0.774 485 A HN 0.424 nan 8.150 nan 0.000 0.492 486 L N -1.642 119.304 121.223 -0.462 0.000 2.356 486 L HA -0.076 4.264 4.340 0.001 0.000 0.193 486 L C 2.911 179.611 176.870 -0.284 0.000 1.087 486 L CA 0.844 55.483 54.840 -0.334 0.000 0.817 486 L CB -0.783 41.154 42.059 -0.204 0.000 1.035 486 L HN 0.583 nan 8.230 nan 0.000 0.482 487 Q N 0.135 119.768 119.800 -0.277 0.000 2.084 487 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 487 Q C 0.440 176.339 176.000 -0.167 0.000 0.978 487 Q CA 1.781 57.458 55.803 -0.210 0.000 0.844 487 Q CB -0.541 28.044 28.738 -0.256 0.000 0.898 487 Q HN 0.345 nan 8.270 nan 0.000 0.426 488 D N 1.491 121.771 120.400 -0.199 0.000 2.346 488 D HA 0.050 4.690 4.640 0.001 0.000 0.248 488 D C -0.027 176.217 176.300 -0.094 0.000 1.173 488 D CA 0.465 54.407 54.000 -0.097 0.000 0.878 488 D CB 0.219 41.007 40.800 -0.020 0.000 0.919 488 D HN 0.389 nan 8.370 nan 0.000 0.513 489 S N -2.406 113.188 115.700 -0.176 0.000 2.903 489 S HA 0.863 5.334 4.470 0.001 0.000 0.314 489 S C 0.238 174.793 174.600 -0.074 0.000 1.177 489 S CA -0.707 57.426 58.200 -0.112 0.000 0.859 489 S CB 2.030 65.014 63.200 -0.360 0.000 1.265 489 S HN 0.059 nan 8.310 nan 0.000 0.584 490 G N -0.691 108.083 108.800 -0.043 0.000 3.135 490 G HA2 0.536 4.497 3.960 0.001 0.000 0.278 490 G HA3 0.536 4.497 3.960 0.001 0.000 0.278 490 G C 0.410 175.288 174.900 -0.036 0.000 1.302 490 G CA -0.814 44.266 45.100 -0.034 0.000 0.880 490 G HN 0.697 nan 8.290 nan 0.000 0.574 491 L N -0.377 120.833 121.223 -0.022 0.000 2.171 491 L HA -0.117 4.224 4.340 0.001 0.000 0.216 491 L C 0.752 177.616 176.870 -0.010 0.000 1.084 491 L CA 1.533 56.363 54.840 -0.017 0.000 0.771 491 L CB -0.235 41.820 42.059 -0.006 0.000 0.890 491 L HN 0.426 nan 8.230 nan 0.000 0.437 492 E N -0.721 119.478 120.200 -0.002 0.000 2.244 492 E HA 0.518 4.868 4.350 0.001 0.000 0.260 492 E C -1.182 175.429 176.600 0.020 0.000 0.884 492 E CA -0.336 56.070 56.400 0.011 0.000 0.777 492 E CB 2.380 32.091 29.700 0.019 0.000 1.197 492 E HN -0.137 nan 8.360 nan 0.000 0.416 493 V N 2.210 122.132 119.914 0.012 0.000 3.102 493 V HA 0.475 4.596 4.120 0.001 0.000 0.312 493 V C -0.420 175.711 176.094 0.063 0.000 1.135 493 V CA -1.057 61.256 62.300 0.022 0.000 1.022 493 V CB 2.441 34.202 31.823 -0.103 0.000 1.056 493 V HN 0.626 nan 8.190 nan 0.000 0.436 494 N N 2.083 120.850 118.700 0.110 0.000 2.609 494 N HA 0.512 5.252 4.740 0.001 0.000 0.268 494 N C -1.266 174.327 175.510 0.139 0.000 1.106 494 N CA -0.165 52.975 53.050 0.149 0.000 0.823 494 N CB 1.654 40.213 38.487 0.120 0.000 1.263 494 N HN 0.580 nan 8.380 nan 0.000 0.533 495 I N 1.071 121.685 120.570 0.072 0.000 2.499 495 I HA 0.379 4.549 4.170 0.001 0.000 0.296 495 I C 0.251 176.362 176.117 -0.011 0.000 0.992 495 I CA -0.831 60.480 61.300 0.019 0.000 1.297 495 I CB 1.963 39.929 38.000 -0.057 0.000 1.410 495 I HN -0.050 nan 8.210 nan 0.000 0.507 496 V N 4.707 124.562 119.914 -0.098 0.000 2.680 496 V HA 0.675 4.796 4.120 0.001 0.000 0.309 496 V C -0.533 175.492 176.094 -0.116 0.000 1.052 496 V CA 0.023 62.215 62.300 -0.180 0.000 0.908 496 V CB 2.299 33.809 31.823 -0.521 0.000 1.001 496 V HN 0.880 nan 8.190 nan 0.000 0.431 497 T N 2.469 116.982 114.554 -0.069 0.000 2.868 497 T HA 0.418 4.769 4.350 0.001 0.000 0.306 497 T C -0.458 174.209 174.700 -0.055 0.000 1.224 497 T CA 0.165 62.262 62.100 -0.005 0.000 1.012 497 T CB 1.766 70.685 68.868 0.085 0.000 1.221 497 T HN 0.917 nan 8.240 nan 0.000 0.499 498 D N 0.654 121.041 120.400 -0.022 0.000 2.441 498 D HA 0.230 4.870 4.640 0.001 0.000 0.210 498 D C 0.735 177.290 176.300 0.426 0.000 1.102 498 D CA -0.062 53.871 54.000 -0.111 0.000 0.840 498 D CB 0.237 40.962 40.800 -0.125 0.000 0.990 498 D HN 0.277 nan 8.370 nan 0.000 0.505 499 S N -0.347 115.571 115.700 0.363 0.000 2.610 499 S HA 0.243 4.713 4.470 0.001 0.000 0.273 499 S C 0.661 175.441 174.600 0.299 0.000 1.274 499 S CA -0.340 58.055 58.200 0.324 0.000 1.023 499 S CB 1.614 64.951 63.200 0.229 0.000 0.962 499 S HN 0.123 nan 8.310 nan 0.000 0.523 500 Q N 1.512 121.394 119.800 0.137 0.000 2.402 500 Q HA 0.061 4.402 4.340 0.001 0.000 0.231 500 Q C 1.059 177.060 176.000 0.002 0.000 0.888 500 Q CA 0.145 55.903 55.803 -0.075 0.000 0.938 500 Q CB -0.076 28.511 28.738 -0.251 0.000 1.086 500 Q HN 0.928 nan 8.270 nan 0.000 0.543 501 Y N 1.140 121.431 120.300 -0.015 0.000 2.256 501 Y HA -0.239 4.311 4.550 0.001 0.000 0.288 501 Y C 1.869 177.775 175.900 0.009 0.000 1.155 501 Y CA 1.657 59.761 58.100 0.006 0.000 1.203 501 Y CB -0.086 38.395 38.460 0.034 0.000 0.980 501 Y HN 0.072 nan 8.280 nan 0.000 0.530 502 A N -0.827 121.937 122.820 -0.094 0.000 1.997 502 A HA 0.062 4.382 4.320 0.001 0.000 0.212 502 A C 1.969 179.480 177.584 -0.121 0.000 1.178 502 A CA 0.795 52.721 52.037 -0.185 0.000 0.698 502 A CB -0.802 18.190 19.000 -0.013 0.000 0.842 502 A HN 0.472 nan 8.150 nan 0.000 0.458 503 L N 0.087 121.274 121.223 -0.060 0.000 2.156 503 L HA 0.119 4.460 4.340 0.001 0.000 0.208 503 L C 2.197 179.013 176.870 -0.089 0.000 1.095 503 L CA 2.011 56.815 54.840 -0.059 0.000 0.770 503 L CB -0.713 41.319 42.059 -0.044 0.000 0.914 503 L HN 0.265 nan 8.230 nan 0.000 0.439 504 G N -0.139 108.585 108.800 -0.127 0.000 2.414 504 G HA2 -0.195 3.766 3.960 0.001 0.000 0.215 504 G HA3 -0.195 3.766 3.960 0.001 0.000 0.215 504 G C 1.610 176.515 174.900 0.009 0.000 1.188 504 G CA 0.997 46.031 45.100 -0.110 0.000 0.783 504 G HN 0.409 nan 8.290 nan 0.000 0.537 505 I N 0.755 121.264 120.570 -0.102 0.000 2.091 505 I HA -0.220 3.951 4.170 0.001 0.000 0.239 505 I C 2.736 178.854 176.117 0.001 0.000 1.061 505 I CA 1.253 62.487 61.300 -0.111 0.000 1.317 505 I CB -0.259 37.487 38.000 -0.423 0.000 1.031 505 I HN 0.145 nan 8.210 nan 0.000 0.401 506 I N 0.110 120.663 120.570 -0.028 0.000 2.361 506 I HA -0.307 3.864 4.170 0.001 0.000 0.251 506 I C 2.433 178.634 176.117 0.139 0.000 1.133 506 I CA 1.316 62.650 61.300 0.057 0.000 1.413 506 I CB -0.487 37.515 38.000 0.003 0.000 1.073 506 I HN 0.369 nan 8.210 nan 0.000 0.424 507 Q N 0.569 120.447 119.800 0.129 0.000 2.364 507 Q HA -0.098 4.242 4.340 0.001 0.000 0.207 507 Q C 2.153 178.309 176.000 0.259 0.000 0.970 507 Q CA 1.202 57.112 55.803 0.177 0.000 0.888 507 Q CB -0.109 28.726 28.738 0.162 0.000 0.951 507 Q HN 0.562 nan 8.270 nan 0.000 0.469 508 A N 0.398 123.402 122.820 0.306 0.000 2.238 508 A HA -0.085 4.235 4.320 0.001 0.000 0.208 508 A C 0.493 178.199 177.584 0.202 0.000 1.177 508 A CA 0.181 52.370 52.037 0.253 0.000 0.804 508 A CB -0.001 19.207 19.000 0.347 0.000 0.823 508 A HN 0.424 nan 8.150 nan 0.000 0.482 509 Q N -2.539 117.371 119.800 0.183 0.000 2.494 509 Q HA -0.148 4.192 4.340 0.001 0.000 0.266 509 Q C -2.141 173.892 176.000 0.055 0.000 1.053 509 Q CA 0.428 56.268 55.803 0.061 0.000 1.029 509 Q CB -2.356 26.369 28.738 -0.020 0.000 1.423 509 Q HN 0.494 nan 8.270 nan 0.000 0.516 510 P HA -0.068 nan 4.420 nan 0.000 0.265 510 P C -0.033 177.379 177.300 0.186 0.000 1.193 510 P CA 0.873 64.068 63.100 0.158 0.000 0.765 510 P CB 0.410 32.217 31.700 0.178 0.000 0.823 511 D N 0.825 121.310 120.400 0.141 0.000 2.469 511 D HA 0.134 4.774 4.640 0.001 0.000 0.215 511 D C -0.237 176.175 176.300 0.188 0.000 1.154 511 D CA -0.059 54.074 54.000 0.221 0.000 0.832 511 D CB 0.172 41.110 40.800 0.229 0.000 1.008 511 D HN 0.191 nan 8.370 nan 0.000 0.506 512 K N -0.020 120.466 120.400 0.145 0.000 2.565 512 K HA 0.544 4.865 4.320 0.001 0.000 0.251 512 K C -1.600 175.089 176.600 0.147 0.000 0.956 512 K CA -0.625 55.737 56.287 0.124 0.000 0.809 512 K CB 2.418 34.969 32.500 0.085 0.000 1.267 512 K HN 0.006 nan 8.250 nan 0.000 0.438 513 S N 0.813 116.604 115.700 0.152 0.000 2.627 513 S HA 0.287 4.758 4.470 0.001 0.000 0.283 513 S C 0.086 174.761 174.600 0.124 0.000 1.127 513 S CA -0.504 57.823 58.200 0.213 0.000 0.863 513 S CB 1.769 65.163 63.200 0.324 0.000 1.121 513 S HN 0.614 nan 8.310 nan 0.000 0.479 514 E N 1.114 121.370 120.200 0.094 0.000 2.170 514 E HA 0.117 4.467 4.350 0.001 0.000 0.191 514 E C 0.480 177.124 176.600 0.073 0.000 0.981 514 E CA 0.437 56.868 56.400 0.052 0.000 0.830 514 E CB 0.127 29.831 29.700 0.006 0.000 0.775 514 E HN 0.481 nan 8.360 nan 0.000 0.470 515 S N 0.593 116.367 115.700 0.123 0.000 2.489 515 S HA 0.052 4.522 4.470 0.001 0.000 0.277 515 S C 1.028 175.665 174.600 0.061 0.000 1.230 515 S CA -0.285 57.976 58.200 0.102 0.000 1.053 515 S CB 1.171 64.460 63.200 0.149 0.000 0.955 515 S HN 0.188 nan 8.310 nan 0.000 0.488 516 E N 4.223 124.438 120.200 0.025 0.000 2.130 516 E HA -0.183 4.168 4.350 0.001 0.000 0.196 516 E C 1.729 178.294 176.600 -0.059 0.000 0.998 516 E CA 1.280 57.675 56.400 -0.009 0.000 0.806 516 E CB -0.132 29.559 29.700 -0.014 0.000 0.738 516 E HN 0.846 nan 8.360 nan 0.000 0.459 517 L N 0.251 121.431 121.223 -0.072 0.000 1.989 517 L HA -0.211 4.129 4.340 0.001 0.000 0.211 517 L C 2.412 179.187 176.870 -0.158 0.000 1.071 517 L CA 1.363 56.104 54.840 -0.165 0.000 0.749 517 L CB -0.280 41.720 42.059 -0.099 0.000 0.890 517 L HN 0.130 nan 8.230 nan 0.000 0.431 518 V N 0.502 120.380 119.914 -0.060 0.000 2.231 518 V HA -0.374 3.747 4.120 0.001 0.000 0.248 518 V C 2.299 178.373 176.094 -0.033 0.000 1.054 518 V CA 2.291 64.558 62.300 -0.054 0.000 1.015 518 V CB -0.984 30.826 31.823 -0.021 0.000 0.638 518 V HN 0.555 nan 8.190 nan 0.000 0.444 519 N N 0.109 118.809 118.700 -0.001 0.000 2.132 519 N HA -0.247 4.493 4.740 0.001 0.000 0.191 519 N C 1.885 177.391 175.510 -0.008 0.000 1.015 519 N CA 1.853 54.916 53.050 0.021 0.000 0.864 519 N CB -0.302 38.201 38.487 0.028 0.000 1.006 519 N HN 0.675 nan 8.380 nan 0.000 0.430 520 Q N 0.246 119.999 119.800 -0.079 0.000 2.167 520 Q HA 0.022 4.363 4.340 0.001 0.000 0.202 520 Q C 2.100 178.100 176.000 -0.000 0.000 0.970 520 Q CA 0.722 56.477 55.803 -0.080 0.000 0.855 520 Q CB -0.046 28.499 28.738 -0.322 0.000 0.911 520 Q HN 0.465 nan 8.270 nan 0.000 0.438 521 I N 0.562 121.105 120.570 -0.045 0.000 2.614 521 I HA -0.211 3.960 4.170 0.001 0.000 0.258 521 I C 1.982 178.078 176.117 -0.035 0.000 1.189 521 I CA 0.887 62.193 61.300 0.011 0.000 1.462 521 I CB -0.210 37.774 38.000 -0.026 0.000 1.092 521 I HN 0.176 nan 8.210 nan 0.000 0.442 522 I N 0.279 120.844 120.570 -0.008 0.000 2.260 522 I HA -0.183 3.987 4.170 0.001 0.000 0.237 522 I C 2.581 178.684 176.117 -0.022 0.000 1.075 522 I CA 0.847 62.154 61.300 0.011 0.000 1.376 522 I CB -0.696 37.408 38.000 0.174 0.000 1.107 522 I HN 0.159 nan 8.210 nan 0.000 0.420 523 E N 1.266 121.477 120.200 0.019 0.000 2.149 523 E HA -0.353 3.998 4.350 0.001 0.000 0.215 523 E C 2.214 178.790 176.600 -0.040 0.000 1.055 523 E CA 2.130 58.526 56.400 -0.007 0.000 0.870 523 E CB -0.059 29.646 29.700 0.008 0.000 0.764 523 E HN 0.429 nan 8.360 nan 0.000 0.463 524 Q N 0.109 119.893 119.800 -0.028 0.000 2.061 524 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 524 Q C 2.601 178.526 176.000 -0.125 0.000 0.984 524 Q CA 1.270 57.040 55.803 -0.054 0.000 0.846 524 Q CB -0.443 28.284 28.738 -0.018 0.000 0.902 524 Q HN 0.462 nan 8.270 nan 0.000 0.421 525 L N 0.337 121.433 121.223 -0.211 0.000 2.187 525 L HA -0.184 4.156 4.340 0.001 0.000 0.213 525 L C 2.303 178.988 176.870 -0.308 0.000 1.100 525 L CA 0.765 55.376 54.840 -0.382 0.000 0.765 525 L CB -0.404 41.182 42.059 -0.789 0.000 0.904 525 L HN 0.195 nan 8.230 nan 0.000 0.437 526 I N -0.634 119.840 120.570 -0.159 0.000 2.439 526 I HA -0.225 3.945 4.170 0.001 0.000 0.251 526 I C 2.328 178.421 176.117 -0.039 0.000 1.139 526 I CA 1.055 62.348 61.300 -0.011 0.000 1.438 526 I CB -0.247 37.741 38.000 -0.020 0.000 1.085 526 I HN 0.202 nan 8.210 nan 0.000 0.427 527 K N 0.855 121.215 120.400 -0.068 0.000 2.097 527 K HA -0.042 4.278 4.320 0.001 0.000 0.205 527 K C 0.560 177.132 176.600 -0.046 0.000 1.050 527 K CA 0.652 56.904 56.287 -0.057 0.000 0.938 527 K CB -0.045 32.419 32.500 -0.061 0.000 0.718 527 K HN 0.131 nan 8.250 nan 0.000 0.442 528 K N 1.577 121.941 120.400 -0.059 0.000 2.355 528 K HA 0.018 4.338 4.320 0.001 0.000 0.270 528 K C 0.700 177.292 176.600 -0.014 0.000 1.003 528 K CA 0.304 56.562 56.287 -0.047 0.000 0.957 528 K CB 0.667 33.123 32.500 -0.073 0.000 0.939 528 K HN 0.024 nan 8.250 nan 0.000 0.482 529 E N 1.328 121.527 120.200 -0.001 0.000 2.481 529 E HA 0.095 4.445 4.350 0.001 0.000 0.198 529 E C -0.453 176.165 176.600 0.031 0.000 1.027 529 E CA 0.222 56.634 56.400 0.020 0.000 0.900 529 E CB 0.504 30.214 29.700 0.016 0.000 0.993 529 E HN 0.371 nan 8.360 nan 0.000 0.482 530 K N 0.021 120.435 120.400 0.023 0.000 2.584 530 K HA 0.345 4.665 4.320 0.001 0.000 0.260 530 K C -1.620 174.999 176.600 0.031 0.000 0.949 530 K CA -0.252 56.059 56.287 0.039 0.000 0.888 530 K CB 2.280 34.803 32.500 0.039 0.000 1.330 530 K HN -0.220 nan 8.250 nan 0.000 0.432 531 V N 2.925 122.870 119.914 0.052 0.000 2.932 531 V HA 0.465 4.586 4.120 0.001 0.000 0.307 531 V C -1.681 174.481 176.094 0.115 0.000 1.147 531 V CA -0.933 61.393 62.300 0.043 0.000 0.951 531 V CB 2.135 33.937 31.823 -0.036 0.000 1.031 531 V HN 0.750 nan 8.190 nan 0.000 0.426 532 Y N 4.333 124.625 120.300 -0.013 0.000 2.477 532 Y HA 0.847 5.397 4.550 0.001 0.000 0.347 532 Y C -1.550 174.345 175.900 -0.009 0.000 0.981 532 Y CA -1.093 57.008 58.100 0.000 0.000 1.033 532 Y CB 2.014 40.476 38.460 0.003 0.000 1.245 532 Y HN 0.587 nan 8.280 nan 0.000 0.455 533 L N 5.300 126.130 121.223 -0.654 0.000 2.491 533 L HA 0.882 5.222 4.340 0.001 0.000 0.267 533 L C -1.371 175.202 176.870 -0.495 0.000 0.971 533 L CA -0.333 54.295 54.840 -0.354 0.000 0.857 533 L CB 1.234 43.178 42.059 -0.191 0.000 1.226 533 L HN 0.757 nan 8.230 nan 0.000 0.408 534 A N 3.647 126.357 122.820 -0.182 0.000 2.330 534 A HA 0.797 5.118 4.320 0.001 0.000 0.329 534 A C -1.846 175.794 177.584 0.093 0.000 1.135 534 A CA -0.547 51.492 52.037 0.004 0.000 0.817 534 A CB 0.965 20.142 19.000 0.295 0.000 1.269 534 A HN 0.785 nan 8.150 nan 0.000 0.469 535 W N 1.240 122.511 121.300 -0.049 0.000 2.689 535 W HA 0.601 5.261 4.660 0.001 0.000 0.340 535 W C -1.196 175.313 176.519 -0.016 0.000 1.060 535 W CA -0.468 56.852 57.345 -0.041 0.000 1.218 535 W CB 1.893 31.322 29.460 -0.051 0.000 1.410 535 W HN 0.849 nan 8.180 nan 0.000 0.528 536 V N 3.306 122.512 119.914 -1.180 0.000 2.777 536 V HA 0.561 4.682 4.120 0.001 0.000 0.306 536 V C -2.491 172.737 176.094 -1.443 0.000 1.112 536 V CA -2.631 58.985 62.300 -1.140 0.000 0.917 536 V CB 1.505 33.041 31.823 -0.478 0.000 1.018 536 V HN 0.569 nan 8.190 nan 0.000 0.426 537 P HA 0.099 nan 4.420 nan 0.000 0.260 537 P C 0.134 177.278 177.300 -0.261 0.000 1.172 537 P CA 0.892 63.655 63.100 -0.561 0.000 0.760 537 P CB 0.617 32.173 31.700 -0.240 0.000 0.773 538 A N 3.621 126.389 122.820 -0.086 0.000 2.371 538 A HA 0.220 4.541 4.320 0.001 0.000 0.257 538 A C 0.310 177.924 177.584 0.051 0.000 1.089 538 A CA -0.261 51.746 52.037 -0.049 0.000 0.794 538 A CB -0.816 18.210 19.000 0.043 0.000 1.029 538 A HN 0.756 nan 8.150 nan 0.000 0.488 539 H N -0.338 118.729 119.070 -0.005 0.000 2.770 539 H HA -0.097 4.460 4.556 0.001 0.000 0.309 539 H C -0.081 175.244 175.328 -0.004 0.000 1.206 539 H CA 1.197 57.246 56.048 0.002 0.000 1.147 539 H CB -0.776 28.995 29.762 0.015 0.000 1.422 539 H HN 0.537 nan 8.280 nan 0.000 0.420 540 K N -0.011 120.412 120.400 0.039 0.000 2.706 540 K HA 0.240 4.561 4.320 0.001 0.000 0.203 540 K C 0.708 177.304 176.600 -0.006 0.000 1.102 540 K CA 0.401 56.700 56.287 0.019 0.000 1.058 540 K CB 0.851 33.349 32.500 -0.004 0.000 0.779 540 K HN 0.530 nan 8.250 nan 0.000 0.483 541 G N 2.489 111.285 108.800 -0.007 0.000 2.186 541 G HA2 -0.253 3.708 3.960 0.001 0.000 0.229 541 G HA3 -0.253 3.708 3.960 0.001 0.000 0.229 541 G C 0.016 174.903 174.900 -0.022 0.000 0.553 541 G CA 0.392 45.482 45.100 -0.016 0.000 1.032 541 G HN 0.324 nan 8.290 nan 0.000 0.354 542 I N 0.843 121.396 120.570 -0.028 0.000 2.603 542 I HA 0.472 4.643 4.170 0.001 0.000 0.300 542 I C 1.288 177.404 176.117 -0.001 0.000 1.017 542 I CA -0.943 60.346 61.300 -0.018 0.000 1.098 542 I CB 1.976 39.956 38.000 -0.033 0.000 1.279 542 I HN 0.442 nan 8.210 nan 0.000 0.437 543 G N 2.798 111.597 108.800 -0.002 0.000 2.138 543 G HA2 0.292 4.252 3.960 0.001 0.000 0.263 543 G HA3 0.292 4.252 3.960 0.001 0.000 0.263 543 G C 0.949 175.804 174.900 -0.076 0.000 1.103 543 G CA 0.759 45.835 45.100 -0.039 0.000 1.014 543 G HN 1.199 nan 8.290 nan 0.000 0.418 544 G N 2.231 110.902 108.800 -0.215 0.000 2.254 544 G HA2 -0.348 3.613 3.960 0.001 0.000 0.225 544 G HA3 -0.348 3.613 3.960 0.001 0.000 0.225 544 G C 1.287 176.164 174.900 -0.038 0.000 1.003 544 G CA 0.736 45.531 45.100 -0.507 0.000 0.622 544 G HN 0.778 nan 8.290 nan 0.000 0.507 545 N N 1.020 119.773 118.700 0.089 0.000 2.047 545 N HA -0.087 4.653 4.740 0.001 0.000 0.193 545 N C 1.974 177.486 175.510 0.003 0.000 1.055 545 N CA 1.703 54.802 53.050 0.080 0.000 0.847 545 N CB -0.236 38.254 38.487 0.005 0.000 1.038 545 N HN 0.628 nan 8.380 nan 0.000 0.427 546 E N 0.311 120.492 120.200 -0.033 0.000 2.169 546 E HA -0.278 4.072 4.350 0.001 0.000 0.202 546 E C 2.114 178.696 176.600 -0.031 0.000 1.016 546 E CA 1.420 57.795 56.400 -0.042 0.000 0.817 546 E CB -0.221 29.459 29.700 -0.034 0.000 0.736 546 E HN 0.499 nan 8.360 nan 0.000 0.462 547 Q N 0.425 120.203 119.800 -0.035 0.000 2.030 547 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 547 Q C 2.436 178.427 176.000 -0.014 0.000 0.986 547 Q CA 1.833 57.615 55.803 -0.034 0.000 0.843 547 Q CB -0.431 28.271 28.738 -0.059 0.000 0.904 547 Q HN 0.186 nan 8.270 nan 0.000 0.420 548 V N 1.680 121.601 119.914 0.011 0.000 2.287 548 V HA -0.300 3.820 4.120 0.001 0.000 0.248 548 V C 1.632 177.736 176.094 0.015 0.000 1.053 548 V CA 2.150 64.471 62.300 0.036 0.000 1.027 548 V CB -0.873 31.006 31.823 0.093 0.000 0.646 548 V HN 0.389 nan 8.190 nan 0.000 0.447 549 D N 0.250 120.647 120.400 -0.006 0.000 2.117 549 D HA -0.173 4.468 4.640 0.001 0.000 0.197 549 D C 2.123 178.423 176.300 0.001 0.000 0.987 549 D CA 1.282 55.271 54.000 -0.018 0.000 0.829 549 D CB -0.228 40.527 40.800 -0.074 0.000 0.961 549 D HN 0.472 nan 8.370 nan 0.000 0.460 550 K N 0.751 121.149 120.400 -0.004 0.000 1.978 550 K HA -0.096 4.224 4.320 0.001 0.000 0.214 550 K C 2.425 179.026 176.600 0.001 0.000 1.049 550 K CA 0.793 57.081 56.287 0.002 0.000 0.939 550 K CB -0.469 32.027 32.500 -0.006 0.000 0.721 550 K HN 0.143 nan 8.250 nan 0.000 0.441 551 L N 0.988 122.207 121.223 -0.007 0.000 2.283 551 L HA -0.220 4.121 4.340 0.001 0.000 0.217 551 L C 2.039 178.906 176.870 -0.005 0.000 1.104 551 L CA 0.908 55.740 54.840 -0.013 0.000 0.772 551 L CB -0.651 41.392 42.059 -0.026 0.000 0.899 551 L HN 0.059 nan 8.230 nan 0.000 0.439 552 V N -2.107 117.811 119.914 0.007 0.000 3.219 552 V HA -0.053 4.067 4.120 0.001 0.000 0.240 552 V C 2.350 178.460 176.094 0.026 0.000 1.222 552 V CA 0.950 63.260 62.300 0.017 0.000 1.181 552 V CB 0.462 32.301 31.823 0.027 0.000 0.941 552 V HN 0.450 nan 8.190 nan 0.000 0.471 553 S N 2.211 117.930 115.700 0.031 0.000 2.423 553 S HA -0.138 4.332 4.470 0.001 0.000 0.238 553 S C 1.395 176.016 174.600 0.035 0.000 1.028 553 S CA 0.942 59.169 58.200 0.045 0.000 1.000 553 S CB -0.754 62.478 63.200 0.054 0.000 0.797 553 S HN 0.761 nan 8.310 nan 0.000 0.487 554 A N 0.000 122.834 122.820 0.024 0.000 2.254 554 A HA 0.000 4.320 4.320 0.001 0.000 0.244 554 A CA 0.000 52.048 52.037 0.018 0.000 0.836 554 A CB 0.000 19.007 19.000 0.012 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486