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 3ith_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK 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 SWTVNDIQKL VGKLNWASQI YPGIKVRQLC 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 NTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGI 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 0.000 177.361 177.300 0.101 0.000 1.155 1 P CA 0.000 63.150 63.100 0.083 0.000 0.800 1 P CB 0.000 31.738 31.700 0.063 0.000 0.726 2 I N 0.672 121.293 120.570 0.085 0.000 2.448 2 I HA 0.244 4.414 4.170 0.001 0.000 0.281 2 I C 0.518 176.695 176.117 0.100 0.000 1.027 2 I CA -0.605 60.752 61.300 0.094 0.000 1.111 2 I CB 1.679 39.720 38.000 0.068 0.000 1.236 2 I HN 0.401 nan 8.210 nan 0.000 0.452 3 S N 7.277 123.057 115.700 0.132 0.000 2.561 3 S HA 0.068 4.538 4.470 0.001 0.000 0.294 3 S C -1.613 173.077 174.600 0.150 0.000 1.294 3 S CA -0.378 57.921 58.200 0.165 0.000 1.055 3 S CB 0.572 63.885 63.200 0.189 0.000 0.819 3 S HN 0.417 nan 8.310 nan 0.000 0.503 4 P HA 0.234 nan 4.420 nan 0.000 0.253 4 P C 0.446 177.882 177.300 0.227 0.000 1.260 4 P CA -0.232 62.952 63.100 0.141 0.000 0.800 4 P CB -0.126 31.605 31.700 0.053 0.000 1.162 5 I N 0.672 121.405 120.570 0.272 0.000 3.045 5 I HA -0.075 4.096 4.170 0.001 0.000 0.288 5 I C 0.400 176.593 176.117 0.127 0.000 1.238 5 I CA -0.085 61.340 61.300 0.208 0.000 1.396 5 I CB 0.680 38.722 38.000 0.071 0.000 1.355 5 I HN -0.029 nan 8.210 nan 0.000 0.601 6 E N 4.431 124.689 120.200 0.097 0.000 2.338 6 E HA 0.177 4.527 4.350 0.001 0.000 0.272 6 E C -0.158 176.474 176.600 0.053 0.000 1.029 6 E CA -0.460 55.983 56.400 0.070 0.000 0.872 6 E CB 0.342 30.079 29.700 0.061 0.000 1.015 6 E HN 0.628 nan 8.360 nan 0.000 0.417 7 T N -0.991 113.596 114.554 0.055 0.000 2.813 7 T HA 0.225 4.576 4.350 0.001 0.000 0.297 7 T C 0.326 175.057 174.700 0.053 0.000 1.036 7 T CA -0.959 61.173 62.100 0.054 0.000 1.044 7 T CB 0.716 69.618 68.868 0.055 0.000 0.993 7 T HN 0.179 nan 8.240 nan 0.000 0.535 8 V N 4.005 123.957 119.914 0.063 0.000 2.432 8 V HA 0.354 4.474 4.120 0.001 0.000 0.275 8 V C -1.796 174.349 176.094 0.084 0.000 1.043 8 V CA -1.899 60.447 62.300 0.076 0.000 0.925 8 V CB 0.726 32.611 31.823 0.103 0.000 0.985 8 V HN 0.858 nan 8.190 nan 0.000 0.466 9 P HA 0.178 nan 4.420 nan 0.000 0.271 9 P C -0.845 176.494 177.300 0.066 0.000 1.220 9 P CA 0.072 63.212 63.100 0.067 0.000 0.768 9 P CB 1.296 33.029 31.700 0.056 0.000 0.848 10 V N 4.901 124.840 119.914 0.042 0.000 2.443 10 V HA 0.223 4.344 4.120 0.001 0.000 0.293 10 V C 0.496 176.612 176.094 0.037 0.000 1.021 10 V CA -0.665 61.614 62.300 -0.034 0.000 0.848 10 V CB 1.635 33.304 31.823 -0.256 0.000 0.998 10 V HN 0.557 nan 8.190 nan 0.000 0.424 11 K N 5.412 125.836 120.400 0.040 0.000 2.110 11 K HA 0.725 5.046 4.320 0.001 0.000 0.263 11 K C -0.579 176.121 176.600 0.166 0.000 0.975 11 K CA -0.743 55.620 56.287 0.127 0.000 0.895 11 K CB 1.882 34.413 32.500 0.053 0.000 1.060 11 K HN 0.413 nan 8.250 nan 0.000 0.448 12 L N 2.323 123.668 121.223 0.202 0.000 2.467 12 L HA 0.100 4.441 4.340 0.001 0.000 0.270 12 L C 0.605 177.496 176.870 0.035 0.000 1.205 12 L CA -0.218 54.679 54.840 0.095 0.000 0.828 12 L CB 0.415 42.409 42.059 -0.108 0.000 1.101 12 L HN 0.636 nan 8.230 nan 0.000 0.479 13 K N 2.775 123.185 120.400 0.017 0.000 2.559 13 K HA -0.003 4.317 4.320 0.001 0.000 0.279 13 K C -2.108 174.492 176.600 -0.001 0.000 0.967 13 K CA -1.043 55.243 56.287 -0.002 0.000 1.000 13 K CB -0.143 32.359 32.500 0.003 0.000 0.890 13 K HN 0.354 nan 8.250 nan 0.000 0.501 14 P HA -0.139 nan 4.420 nan 0.000 0.257 14 P C 0.019 177.323 177.300 0.007 0.000 1.162 14 P CA 0.648 63.749 63.100 0.001 0.000 0.762 14 P CB -0.017 31.682 31.700 -0.002 0.000 0.753 15 G N 3.682 112.489 108.800 0.011 0.000 2.247 15 G HA2 -0.188 3.772 3.960 0.001 0.000 0.265 15 G HA3 -0.188 3.772 3.960 0.001 0.000 0.265 15 G C -0.081 174.826 174.900 0.012 0.000 0.861 15 G CA 0.009 45.117 45.100 0.014 0.000 1.289 15 G HN 0.503 nan 8.290 nan 0.000 0.403 16 M N -0.246 119.357 119.600 0.004 0.000 3.079 16 M HA 0.603 5.084 4.480 0.001 0.000 0.277 16 M C -0.898 175.389 176.300 -0.022 0.000 1.317 16 M CA -0.740 54.558 55.300 -0.003 0.000 0.793 16 M CB 2.344 34.939 32.600 -0.008 0.000 1.690 16 M HN 0.348 nan 8.290 nan 0.000 0.451 17 D N -0.839 119.544 120.400 -0.028 0.000 2.609 17 D HA 0.592 5.232 4.640 0.001 0.000 0.239 17 D C -0.445 175.822 176.300 -0.055 0.000 1.229 17 D CA -0.009 53.975 54.000 -0.027 0.000 0.808 17 D CB 1.980 42.835 40.800 0.091 0.000 1.448 17 D HN 0.714 nan 8.370 nan 0.000 0.433 18 G N 0.656 109.395 108.800 -0.102 0.000 2.699 18 G HA2 0.358 4.318 3.960 0.001 0.000 0.246 18 G HA3 0.358 4.318 3.960 0.001 0.000 0.246 18 G C -2.131 172.876 174.900 0.178 0.000 1.219 18 G CA -0.892 44.110 45.100 -0.164 0.000 0.866 18 G HN 0.441 nan 8.290 nan 0.000 0.572 19 P HA 0.205 nan 4.420 nan 0.000 0.276 19 P C -0.521 176.931 177.300 0.253 0.000 1.264 19 P CA 0.060 63.280 63.100 0.201 0.000 0.769 19 P CB 0.872 32.689 31.700 0.195 0.000 0.840 20 K N 2.020 122.535 120.400 0.190 0.000 2.832 20 K HA 0.216 4.536 4.320 0.001 0.000 0.211 20 K C -0.075 176.588 176.600 0.105 0.000 1.112 20 K CA -0.492 55.877 56.287 0.137 0.000 1.108 20 K CB 0.647 33.197 32.500 0.083 0.000 0.899 20 K HN 0.243 nan 8.250 nan 0.000 0.464 21 V N 2.549 122.538 119.914 0.124 0.000 2.421 21 V HA 0.006 4.126 4.120 0.001 0.000 0.271 21 V C 0.605 176.758 176.094 0.099 0.000 1.031 21 V CA -0.040 62.338 62.300 0.130 0.000 1.032 21 V CB 0.288 32.200 31.823 0.148 0.000 1.009 21 V HN 0.268 nan 8.190 nan 0.000 0.477 22 K N 3.923 124.362 120.400 0.065 0.000 2.326 22 K HA 0.161 4.482 4.320 0.001 0.000 0.275 22 K C 0.251 176.823 176.600 -0.046 0.000 1.018 22 K CA -0.430 55.832 56.287 -0.043 0.000 0.962 22 K CB 0.633 33.037 32.500 -0.161 0.000 0.953 22 K HN 0.728 nan 8.250 nan 0.000 0.475 23 Q N 2.584 122.346 119.800 -0.063 0.000 2.364 23 Q HA -0.004 4.336 4.340 0.001 0.000 0.267 23 Q C -1.503 174.465 176.000 -0.052 0.000 0.999 23 Q CA 0.548 56.361 55.803 0.017 0.000 0.886 23 Q CB 0.518 29.264 28.738 0.014 0.000 1.243 23 Q HN 0.471 nan 8.270 nan 0.000 0.415 24 W N 7.076 128.504 121.300 0.213 0.000 2.227 24 W HA 0.328 4.988 4.660 0.001 0.000 0.308 24 W C -1.910 174.728 176.519 0.198 0.000 0.882 24 W CA -1.135 56.324 57.345 0.189 0.000 1.707 24 W CB 0.695 30.266 29.460 0.185 0.000 1.782 24 W HN 0.724 nan 8.180 nan 0.000 0.385 25 P HA 0.515 nan 4.420 nan 0.000 0.323 25 P C -0.575 176.819 177.300 0.155 0.000 1.363 25 P CA -0.352 62.872 63.100 0.207 0.000 0.851 25 P CB 1.042 32.817 31.700 0.125 0.000 2.110 26 L N -1.473 119.812 121.223 0.103 0.000 2.728 26 L HA -0.151 4.189 4.340 0.001 0.000 0.527 26 L C 0.081 177.002 176.870 0.084 0.000 1.002 26 L CA 0.857 55.744 54.840 0.078 0.000 1.273 26 L CB -1.633 40.467 42.059 0.068 0.000 1.435 26 L HN 0.609 nan 8.230 nan 0.000 0.711 27 T N -1.316 113.278 114.554 0.067 0.000 3.231 27 T HA 0.061 4.411 4.350 0.001 0.000 0.269 27 T C 0.812 175.541 174.700 0.048 0.000 0.849 27 T CA 0.058 62.196 62.100 0.064 0.000 0.837 27 T CB 0.523 69.437 68.868 0.077 0.000 1.254 27 T HN 0.621 nan 8.240 nan 0.000 0.640 28 E N 0.317 120.541 120.200 0.040 0.000 3.540 28 E HA -0.200 4.150 4.350 0.001 0.000 0.294 28 E C 0.106 176.721 176.600 0.025 0.000 0.793 28 E CA 1.686 58.101 56.400 0.026 0.000 0.971 28 E CB -0.554 29.160 29.700 0.023 0.000 1.493 28 E HN 0.492 nan 8.360 nan 0.000 0.464 29 E N 0.346 120.569 120.200 0.039 0.000 2.199 29 E HA 0.346 4.697 4.350 0.001 0.000 0.269 29 E C 0.707 177.338 176.600 0.052 0.000 0.899 29 E CA 0.224 56.652 56.400 0.046 0.000 0.772 29 E CB 1.375 31.113 29.700 0.063 0.000 1.155 29 E HN 0.163 nan 8.360 nan 0.000 0.408 30 K N 3.147 123.567 120.400 0.033 0.000 3.575 30 K HA -0.185 4.135 4.320 0.001 0.000 0.272 30 K C 0.521 177.115 176.600 -0.010 0.000 1.019 30 K CA 1.415 57.715 56.287 0.023 0.000 1.123 30 K CB -1.227 31.341 32.500 0.113 0.000 1.364 30 K HN 0.494 nan 8.250 nan 0.000 0.482 31 I N 1.348 121.923 120.570 0.009 0.000 3.241 31 I HA -0.132 4.038 4.170 0.001 0.000 0.280 31 I C 1.636 177.731 176.117 -0.037 0.000 1.320 31 I CA 1.309 62.614 61.300 0.008 0.000 1.413 31 I CB -0.605 37.410 38.000 0.023 0.000 1.060 31 I HN 0.337 nan 8.210 nan 0.000 0.500 32 K N 0.612 120.957 120.400 -0.090 0.000 2.335 32 K HA 0.220 4.540 4.320 0.001 0.000 0.195 32 K C 2.180 178.601 176.600 -0.298 0.000 1.058 32 K CA 0.689 56.882 56.287 -0.155 0.000 0.988 32 K CB 0.264 32.674 32.500 -0.151 0.000 0.880 32 K HN 0.147 nan 8.250 nan 0.000 0.513 33 A N 1.902 124.494 122.820 -0.379 0.000 1.930 33 A HA -0.007 4.313 4.320 0.001 0.000 0.217 33 A C 1.267 178.700 177.584 -0.252 0.000 1.175 33 A CA 0.813 52.484 52.037 -0.610 0.000 0.627 33 A CB -0.511 18.159 19.000 -0.549 0.000 0.815 33 A HN 0.081 nan 8.150 nan 0.000 0.443 34 L N -2.110 119.055 121.223 -0.097 0.000 2.470 34 L HA 0.252 4.592 4.340 0.001 0.000 0.243 34 L C 1.587 178.445 176.870 -0.020 0.000 1.227 34 L CA -0.203 54.635 54.840 -0.003 0.000 0.824 34 L CB 0.194 42.294 42.059 0.069 0.000 1.175 34 L HN 0.138 nan 8.230 nan 0.000 0.503 35 V N -1.777 118.165 119.914 0.047 0.000 1.641 35 V HA -0.375 3.745 4.120 0.001 0.000 0.051 35 V C 1.706 177.797 176.094 -0.006 0.000 0.896 35 V CA 2.192 64.525 62.300 0.054 0.000 1.748 35 V CB -1.381 30.460 31.823 0.031 0.000 1.701 35 V HN 1.062 nan 8.190 nan 0.000 0.822 36 E N -0.704 119.462 120.200 -0.056 0.000 2.290 36 E HA 0.102 4.453 4.350 0.001 0.000 0.199 36 E C 1.961 178.543 176.600 -0.029 0.000 0.912 36 E CA 0.672 57.029 56.400 -0.072 0.000 0.924 36 E CB 0.159 29.755 29.700 -0.174 0.000 0.901 36 E HN 0.696 nan 8.360 nan 0.000 0.487 37 I N 0.791 121.353 120.570 -0.013 0.000 2.500 37 I HA -0.201 3.969 4.170 0.001 0.000 0.252 37 I C 2.382 178.493 176.117 -0.009 0.000 1.142 37 I CA 0.219 61.538 61.300 0.032 0.000 1.451 37 I CB -0.157 37.888 38.000 0.074 0.000 1.093 37 I HN 0.283 nan 8.210 nan 0.000 0.430 38 C N 0.858 120.131 119.300 -0.046 0.000 2.462 38 C HA -0.152 4.309 4.460 0.001 0.000 0.278 38 C C 3.177 178.020 174.990 -0.245 0.000 1.253 38 C CA 1.920 60.812 59.018 -0.211 0.000 1.713 38 C CB -1.043 26.578 27.740 -0.198 0.000 2.049 38 C HN 0.599 nan 8.230 nan 0.000 0.477 39 T N -0.661 113.841 114.554 -0.085 0.000 3.007 39 T HA -0.153 4.198 4.350 0.001 0.000 0.270 39 T C 1.380 176.059 174.700 -0.035 0.000 1.107 39 T CA 1.797 63.877 62.100 -0.032 0.000 1.118 39 T CB -0.292 68.589 68.868 0.022 0.000 0.889 39 T HN 0.648 nan 8.240 nan 0.000 0.506 40 E N 1.360 121.542 120.200 -0.031 0.000 2.051 40 E HA 0.055 4.405 4.350 0.001 0.000 0.189 40 E C 2.166 178.753 176.600 -0.021 0.000 0.979 40 E CA 0.949 57.346 56.400 -0.005 0.000 0.803 40 E CB -0.493 29.223 29.700 0.026 0.000 0.761 40 E HN 0.529 nan 8.360 nan 0.000 0.451 41 M N 0.253 119.818 119.600 -0.059 0.000 2.229 41 M HA -0.069 4.411 4.480 0.001 0.000 0.264 41 M C 2.230 178.447 176.300 -0.138 0.000 1.063 41 M CA 1.454 56.702 55.300 -0.086 0.000 1.114 41 M CB -0.097 32.427 32.600 -0.127 0.000 1.387 41 M HN 0.205 nan 8.290 nan 0.000 0.420 42 E N 0.747 120.841 120.200 -0.178 0.000 2.265 42 E HA -0.185 4.165 4.350 0.001 0.000 0.196 42 E C 1.609 178.176 176.600 -0.055 0.000 0.996 42 E CA 1.061 57.378 56.400 -0.138 0.000 0.832 42 E CB 0.247 29.889 29.700 -0.096 0.000 0.756 42 E HN 0.464 nan 8.360 nan 0.000 0.491 43 K N 0.070 120.447 120.400 -0.038 0.000 2.166 43 K HA -0.002 4.319 4.320 0.001 0.000 0.201 43 K C 1.763 178.361 176.600 -0.005 0.000 1.052 43 K CA 0.771 57.051 56.287 -0.012 0.000 0.969 43 K CB 0.133 32.633 32.500 -0.000 0.000 0.761 43 K HN 0.095 nan 8.250 nan 0.000 0.459 44 E N 0.171 120.369 120.200 -0.003 0.000 2.515 44 E HA -0.066 4.284 4.350 0.001 0.000 0.201 44 E C 0.740 177.340 176.600 -0.000 0.000 1.071 44 E CA 0.479 56.888 56.400 0.015 0.000 0.880 44 E CB 0.052 29.777 29.700 0.041 0.000 0.828 44 E HN 0.531 nan 8.360 nan 0.000 0.540 45 G N 1.637 110.422 108.800 -0.025 0.000 2.159 45 G HA2 -0.293 3.667 3.960 0.001 0.000 0.256 45 G HA3 -0.293 3.667 3.960 0.001 0.000 0.256 45 G C 0.965 175.832 174.900 -0.056 0.000 0.977 45 G CA 0.523 45.605 45.100 -0.030 0.000 0.652 45 G HN 0.113 nan 8.290 nan 0.000 0.531 46 K N -0.062 120.277 120.400 -0.101 0.000 2.288 46 K HA 0.240 4.560 4.320 0.001 0.000 0.201 46 K C 1.618 178.097 176.600 -0.202 0.000 1.048 46 K CA 1.518 57.703 56.287 -0.169 0.000 0.956 46 K CB -0.027 32.285 32.500 -0.312 0.000 0.746 46 K HN 0.951 nan 8.250 nan 0.000 0.461 47 I N -3.419 117.019 120.570 -0.219 0.000 3.467 47 I HA 0.494 4.664 4.170 0.001 0.000 0.314 47 I C -1.294 174.755 176.117 -0.115 0.000 1.177 47 I CA -1.121 60.033 61.300 -0.243 0.000 0.943 47 I CB 2.517 40.245 38.000 -0.453 0.000 1.338 47 I HN -0.105 nan 8.210 nan 0.000 0.482 48 S N -0.123 115.568 115.700 -0.015 0.000 2.578 48 S HA 0.395 4.865 4.470 0.001 0.000 0.285 48 S C -1.295 173.383 174.600 0.129 0.000 1.126 48 S CA -1.224 57.027 58.200 0.084 0.000 0.878 48 S CB 1.157 64.366 63.200 0.015 0.000 1.091 48 S HN 0.710 nan 8.310 nan 0.000 0.450 49 K N 1.610 122.058 120.400 0.079 0.000 2.448 49 K HA 0.247 4.568 4.320 0.001 0.000 0.278 49 K C -0.256 176.270 176.600 -0.123 0.000 1.009 49 K CA 0.105 56.291 56.287 -0.168 0.000 0.995 49 K CB 0.158 32.504 32.500 -0.256 0.000 0.917 49 K HN 0.571 nan 8.250 nan 0.000 0.481 50 I N 2.461 122.938 120.570 -0.155 0.000 2.396 50 I HA 0.100 4.271 4.170 0.001 0.000 0.289 50 I C 1.091 177.149 176.117 -0.098 0.000 1.056 50 I CA -0.376 60.862 61.300 -0.103 0.000 1.365 50 I CB 0.742 38.687 38.000 -0.092 0.000 1.407 50 I HN 0.635 nan 8.210 nan 0.000 0.509 51 G N 5.572 114.329 108.800 -0.072 0.000 2.525 51 G HA2 0.437 4.397 3.960 0.001 0.000 0.287 51 G HA3 0.437 4.397 3.960 0.001 0.000 0.287 51 G C -2.314 172.554 174.900 -0.053 0.000 1.350 51 G CA -1.364 43.699 45.100 -0.062 0.000 1.039 51 G HN 0.523 nan 8.290 nan 0.000 0.513 52 P HA -0.130 nan 4.420 nan 0.000 0.237 52 P C -0.079 177.195 177.300 -0.044 0.000 1.046 52 P CA 0.737 63.812 63.100 -0.040 0.000 0.791 52 P CB 0.066 31.747 31.700 -0.031 0.000 0.660 53 E N 3.451 123.621 120.200 -0.050 0.000 2.437 53 E HA 0.057 4.407 4.350 0.001 0.000 0.263 53 E C 0.891 177.458 176.600 -0.055 0.000 1.030 53 E CA 0.584 56.950 56.400 -0.057 0.000 0.934 53 E CB 0.195 29.858 29.700 -0.062 0.000 0.943 53 E HN 0.428 nan 8.360 nan 0.000 0.444 54 N N 0.343 119.008 118.700 -0.058 0.000 6.126 54 N HA -0.107 4.633 4.740 0.001 0.000 0.400 54 N C -2.498 172.982 175.510 -0.049 0.000 1.215 54 N CA 0.189 53.198 53.050 -0.067 0.000 2.114 54 N CB -1.281 37.152 38.487 -0.090 0.000 0.683 54 N HN 0.377 nan 8.380 nan 0.000 0.547 55 P HA 0.543 nan 4.420 nan 0.000 0.298 55 P C -0.851 176.436 177.300 -0.022 0.000 1.189 55 P CA 0.193 63.196 63.100 -0.161 0.000 0.735 55 P CB 1.139 32.621 31.700 -0.362 0.000 1.855 56 Y N -2.139 118.186 120.300 0.041 0.000 2.506 56 Y HA -0.093 4.458 4.550 0.001 0.000 0.031 56 Y C 0.489 176.427 175.900 0.064 0.000 1.701 56 Y CA 0.738 58.881 58.100 0.072 0.000 1.419 56 Y CB -1.542 36.989 38.460 0.118 0.000 2.065 56 Y HN 0.478 nan 8.280 nan 0.000 0.254 57 N N -0.517 118.332 118.700 0.249 0.000 2.935 57 N HA 0.542 5.282 4.740 0.001 0.000 0.248 57 N C -1.786 173.818 175.510 0.156 0.000 1.276 57 N CA -0.240 52.915 53.050 0.174 0.000 0.906 57 N CB 2.251 40.796 38.487 0.097 0.000 1.564 57 N HN 0.635 nan 8.380 nan 0.000 0.500 58 T N 1.877 116.507 114.554 0.127 0.000 2.906 58 T HA 0.583 4.933 4.350 0.001 0.000 0.295 58 T C -2.646 171.999 174.700 -0.092 0.000 1.061 58 T CA -0.883 61.225 62.100 0.013 0.000 1.000 58 T CB 2.198 71.031 68.868 -0.059 0.000 1.103 58 T HN 0.299 nan 8.240 nan 0.000 0.486 59 P HA 0.168 nan 4.420 nan 0.000 0.271 59 P C 0.080 177.052 177.300 -0.546 0.000 1.238 59 P CA -0.239 62.555 63.100 -0.510 0.000 0.794 59 P CB 0.400 31.521 31.700 -0.964 0.000 0.959 60 V N -3.570 116.004 119.914 -0.567 0.000 3.047 60 V HA 0.321 4.441 4.120 0.001 0.000 0.374 60 V C -0.399 175.596 176.094 -0.164 0.000 1.399 60 V CA -0.483 61.619 62.300 -0.329 0.000 1.251 60 V CB -1.383 30.391 31.823 -0.081 0.000 1.228 60 V HN 0.114 nan 8.190 nan 0.000 0.589 61 F N 2.364 122.330 119.950 0.025 0.000 2.355 61 F HA 0.445 4.972 4.527 0.001 0.000 0.365 61 F C 1.295 177.115 175.800 0.033 0.000 1.075 61 F CA 0.392 58.417 58.000 0.041 0.000 0.959 61 F CB -0.945 38.079 39.000 0.039 0.000 0.913 61 F HN 0.431 nan 8.300 nan 0.000 0.539 62 A N 5.622 128.558 122.820 0.193 0.000 2.320 62 A HA 0.550 4.870 4.320 0.001 0.000 0.287 62 A C -0.091 177.582 177.584 0.149 0.000 1.181 62 A CA -0.596 51.526 52.037 0.142 0.000 0.831 62 A CB 0.322 19.396 19.000 0.124 0.000 1.102 62 A HN 0.816 nan 8.150 nan 0.000 0.513 63 I N 3.358 124.004 120.570 0.127 0.000 2.412 63 I HA 0.256 4.427 4.170 0.001 0.000 0.279 63 I C 0.760 176.937 176.117 0.100 0.000 1.063 63 I CA -0.573 60.791 61.300 0.108 0.000 1.193 63 I CB 0.660 38.713 38.000 0.087 0.000 1.370 63 I HN 0.853 nan 8.210 nan 0.000 0.479 64 K N 5.014 125.489 120.400 0.125 0.000 2.160 64 K HA -0.147 4.173 4.320 0.001 0.000 0.206 64 K C 0.676 177.293 176.600 0.028 0.000 1.047 64 K CA 0.838 57.188 56.287 0.106 0.000 0.930 64 K CB -0.140 32.449 32.500 0.148 0.000 0.720 64 K HN 0.591 nan 8.250 nan 0.000 0.450 65 K N 0.365 120.783 120.400 0.029 0.000 1.209 65 K HA -0.222 4.098 4.320 0.001 0.000 0.657 65 K C -0.892 175.694 176.600 -0.022 0.000 2.545 65 K CA 0.776 57.067 56.287 0.007 0.000 1.858 65 K CB 0.003 32.510 32.500 0.013 0.000 2.729 65 K HN -0.137 nan 8.250 nan 0.000 0.249 66 K N 2.417 122.802 120.400 -0.025 0.000 3.358 66 K HA 0.040 4.360 4.320 0.001 0.000 0.297 66 K C -0.294 176.281 176.600 -0.042 0.000 1.064 66 K CA 0.705 56.969 56.287 -0.038 0.000 1.144 66 K CB -0.145 32.333 32.500 -0.037 0.000 1.289 66 K HN 0.332 nan 8.250 nan 0.000 0.372 67 D N -0.296 120.075 120.400 -0.049 0.000 2.349 67 D HA -0.036 4.605 4.640 0.001 0.000 0.224 67 D C -0.465 175.794 176.300 -0.069 0.000 1.029 67 D CA 0.299 54.267 54.000 -0.053 0.000 0.879 67 D CB 0.183 40.952 40.800 -0.052 0.000 0.906 67 D HN 0.156 nan 8.370 nan 0.000 0.528 68 S N 0.269 115.922 115.700 -0.078 0.000 4.132 68 S HA -0.185 4.285 4.470 0.001 0.000 0.522 68 S C -0.213 174.307 174.600 -0.133 0.000 0.769 68 S CA 0.333 58.480 58.200 -0.088 0.000 1.277 68 S CB -2.288 60.869 63.200 -0.072 0.000 0.762 68 S HN 0.258 nan 8.310 nan 0.000 0.675 69 T N 0.423 114.879 114.554 -0.164 0.000 3.318 69 T HA -0.195 4.155 4.350 0.001 0.000 0.428 69 T C -0.500 173.965 174.700 -0.392 0.000 0.768 69 T CA 1.887 63.822 62.100 -0.274 0.000 2.218 69 T CB -0.992 67.723 68.868 -0.255 0.000 1.689 69 T HN 0.905 nan 8.240 nan 0.000 0.671 70 K N 0.740 120.924 120.400 -0.361 0.000 2.395 70 K HA 0.564 4.885 4.320 0.001 0.000 0.247 70 K C -1.086 175.321 176.600 -0.322 0.000 0.973 70 K CA -1.033 55.049 56.287 -0.341 0.000 0.828 70 K CB 1.322 33.738 32.500 -0.139 0.000 1.272 70 K HN 0.300 nan 8.250 nan 0.000 0.439 71 W N 3.427 124.738 121.300 0.019 0.000 2.318 71 W HA 0.408 5.068 4.660 0.001 0.000 0.315 71 W C -0.038 176.497 176.519 0.028 0.000 1.033 71 W CA -0.700 56.661 57.345 0.026 0.000 1.275 71 W CB 1.257 30.735 29.460 0.031 0.000 1.250 71 W HN 0.270 nan 8.180 nan 0.000 0.421 72 R N 2.913 123.546 120.500 0.223 0.000 2.439 72 R HA 0.253 4.593 4.340 0.001 0.000 0.310 72 R C -0.101 176.275 176.300 0.128 0.000 0.955 72 R CA -0.922 55.264 56.100 0.143 0.000 0.853 72 R CB 2.120 32.470 30.300 0.083 0.000 1.171 72 R HN 0.436 nan 8.270 nan 0.000 0.449 73 K N 1.829 122.294 120.400 0.108 0.000 2.154 73 K HA 0.370 4.691 4.320 0.001 0.000 0.264 73 K C -0.142 176.481 176.600 0.038 0.000 1.008 73 K CA -0.378 55.950 56.287 0.069 0.000 0.937 73 K CB 1.076 33.607 32.500 0.052 0.000 1.002 73 K HN 0.461 nan 8.250 nan 0.000 0.469 74 L N 2.689 123.910 121.223 -0.004 0.000 2.475 74 L HA 0.258 4.598 4.340 0.001 0.000 0.253 74 L C -1.248 175.546 176.870 -0.126 0.000 1.483 74 L CA -1.023 53.807 54.840 -0.018 0.000 0.869 74 L CB 1.162 43.248 42.059 0.045 0.000 1.086 74 L HN 0.559 nan 8.230 nan 0.000 0.514 75 V N 1.200 120.964 119.914 -0.251 0.000 2.752 75 V HA -0.153 3.967 4.120 0.001 0.000 0.306 75 V C 0.423 176.261 176.094 -0.427 0.000 1.099 75 V CA 0.665 62.656 62.300 -0.514 0.000 1.240 75 V CB 0.933 32.253 31.823 -0.837 0.000 0.887 75 V HN 0.660 nan 8.190 nan 0.000 0.499 76 D N 3.281 123.410 120.400 -0.451 0.000 2.499 76 D HA 0.321 4.962 4.640 0.001 0.000 0.225 76 D C 0.291 176.476 176.300 -0.192 0.000 1.124 76 D CA -0.355 53.517 54.000 -0.213 0.000 0.938 76 D CB 0.171 40.909 40.800 -0.104 0.000 1.014 76 D HN 0.374 nan 8.370 nan 0.000 0.517 77 F N 1.693 121.672 119.950 0.047 0.000 2.804 77 F HA 0.217 4.744 4.527 0.001 0.000 0.303 77 F C 2.287 178.158 175.800 0.119 0.000 1.154 77 F CA -0.083 57.977 58.000 0.100 0.000 1.401 77 F CB -0.210 38.882 39.000 0.153 0.000 1.106 77 F HN 0.360 nan 8.300 nan 0.000 0.568 78 R N 0.638 121.267 120.500 0.216 0.000 2.153 78 R HA -0.278 4.062 4.340 0.001 0.000 0.252 78 R C 2.067 178.466 176.300 0.166 0.000 1.158 78 R CA 2.114 58.313 56.100 0.167 0.000 0.975 78 R CB -0.134 30.241 30.300 0.124 0.000 0.871 78 R HN 0.231 nan 8.270 nan 0.000 0.450 79 E N -0.534 119.770 120.200 0.173 0.000 2.190 79 E HA -0.079 4.272 4.350 0.001 0.000 0.191 79 E C 1.612 178.326 176.600 0.189 0.000 0.978 79 E CA 0.369 56.864 56.400 0.159 0.000 0.839 79 E CB -0.011 29.775 29.700 0.143 0.000 0.787 79 E HN 0.262 nan 8.360 nan 0.000 0.473 80 L N 0.765 122.148 121.223 0.267 0.000 2.109 80 L HA -0.028 4.312 4.340 0.001 0.000 0.207 80 L C 1.403 178.464 176.870 0.319 0.000 1.086 80 L CA 1.594 56.618 54.840 0.306 0.000 0.760 80 L CB -0.709 41.617 42.059 0.445 0.000 0.910 80 L HN 0.067 nan 8.230 nan 0.000 0.437 81 N N 0.746 119.634 118.700 0.314 0.000 2.132 81 N HA -0.228 4.513 4.740 0.001 0.000 0.191 81 N C 1.558 177.155 175.510 0.144 0.000 1.015 81 N CA 1.700 54.878 53.050 0.214 0.000 0.864 81 N CB -0.270 38.310 38.487 0.155 0.000 1.006 81 N HN 0.516 nan 8.380 nan 0.000 0.430 82 K N 0.159 120.638 120.400 0.132 0.000 2.486 82 K HA 0.069 4.389 4.320 0.001 0.000 0.194 82 K C 1.323 177.973 176.600 0.084 0.000 1.033 82 K CA 0.549 56.890 56.287 0.091 0.000 1.004 82 K CB 0.218 32.767 32.500 0.082 0.000 0.798 82 K HN 0.169 nan 8.250 nan 0.000 0.495 83 R N -0.101 120.466 120.500 0.112 0.000 2.404 83 R HA 0.105 4.446 4.340 0.001 0.000 0.237 83 R C 0.020 176.388 176.300 0.113 0.000 0.907 83 R CA 0.059 56.208 56.100 0.082 0.000 1.063 83 R CB 0.811 31.140 30.300 0.048 0.000 1.134 83 R HN -0.078 nan 8.270 nan 0.000 0.529 84 T N 2.742 117.409 114.554 0.187 0.000 2.869 84 T HA 0.066 4.417 4.350 0.001 0.000 0.295 84 T C -0.063 174.653 174.700 0.028 0.000 0.987 84 T CA -0.490 61.749 62.100 0.232 0.000 1.109 84 T CB 1.177 70.274 68.868 0.381 0.000 0.932 84 T HN 0.222 nan 8.240 nan 0.000 0.518 85 Q N 2.723 122.475 119.800 -0.080 0.000 2.354 85 Q HA 0.042 4.382 4.340 0.001 0.000 0.310 85 Q C -0.485 175.274 176.000 -0.402 0.000 1.104 85 Q CA -0.160 55.499 55.803 -0.239 0.000 0.968 85 Q CB 0.346 28.889 28.738 -0.325 0.000 1.251 85 Q HN 0.452 nan 8.270 nan 0.000 0.411 86 D N 1.033 121.275 120.400 -0.264 0.000 2.378 86 D HA 0.143 4.783 4.640 0.001 0.000 0.238 86 D C -0.679 175.389 176.300 -0.387 0.000 1.180 86 D CA 0.576 54.462 54.000 -0.189 0.000 0.895 86 D CB 0.345 41.117 40.800 -0.046 0.000 1.192 86 D HN 0.370 nan 8.370 nan 0.000 0.438 87 F N -0.262 119.675 119.950 -0.022 0.000 2.593 87 F HA 0.279 4.806 4.527 0.001 0.000 0.320 87 F C 0.190 176.051 175.800 0.102 0.000 1.060 87 F CA -1.128 56.877 58.000 0.008 0.000 0.940 87 F CB 1.437 40.385 39.000 -0.087 0.000 1.268 87 F HN 0.238 nan 8.300 nan 0.000 0.475 88 W N 3.038 124.416 121.300 0.129 0.000 2.311 88 W HA 0.215 4.875 4.660 0.000 0.000 0.310 88 W C -0.454 176.087 176.519 0.037 0.000 1.274 88 W CA -0.527 56.850 57.345 0.053 0.000 1.215 88 W CB 1.004 30.479 29.460 0.025 0.000 1.227 88 W HN 0.405 nan 8.180 nan 0.000 0.523 89 E N 4.212 124.030 120.200 -0.635 0.000 2.104 89 E HA 0.024 4.375 4.350 0.001 0.000 0.278 89 E C 0.833 177.097 176.600 -0.560 0.000 1.127 89 E CA 0.054 56.143 56.400 -0.518 0.000 0.897 89 E CB 1.272 30.687 29.700 -0.476 0.000 1.043 89 E HN 0.356 nan 8.360 nan 0.000 0.410 90 V N 2.355 122.164 119.914 -0.174 0.000 3.623 90 V HA -0.078 4.043 4.120 0.001 0.000 0.271 90 V C 0.613 176.701 176.094 -0.010 0.000 1.248 90 V CA 0.567 62.880 62.300 0.021 0.000 1.156 90 V CB -0.393 31.493 31.823 0.105 0.000 0.870 90 V HN 0.355 nan 8.190 nan 0.000 0.453 91 Q N -0.219 119.535 119.800 -0.077 0.000 2.266 91 Q HA 0.520 4.860 4.340 0.001 0.000 0.261 91 Q C 0.738 176.687 176.000 -0.086 0.000 0.985 91 Q CA -0.468 55.302 55.803 -0.055 0.000 0.873 91 Q CB 2.382 31.100 28.738 -0.033 0.000 1.306 91 Q HN 0.195 nan 8.270 nan 0.000 0.447 92 L N -0.507 120.678 121.223 -0.063 0.000 2.446 92 L HA 0.312 4.652 4.340 0.001 0.000 0.219 92 L C 0.924 177.746 176.870 -0.080 0.000 1.116 92 L CA 0.552 55.348 54.840 -0.073 0.000 0.844 92 L CB 0.046 42.070 42.059 -0.058 0.000 0.970 92 L HN 0.715 nan 8.230 nan 0.000 0.457 93 G N 0.240 109.000 108.800 -0.066 0.000 2.430 93 G HA2 0.324 4.284 3.960 0.001 0.000 0.300 93 G HA3 0.324 4.284 3.960 0.001 0.000 0.300 93 G C -1.383 173.507 174.900 -0.016 0.000 1.330 93 G CA -0.697 44.368 45.100 -0.057 0.000 0.813 93 G HN 0.010 nan 8.290 nan 0.000 0.487 94 I N -0.301 120.264 120.570 -0.008 0.000 2.581 94 I HA 0.606 4.776 4.170 0.001 0.000 0.288 94 I C -2.216 173.840 176.117 -0.100 0.000 1.047 94 I CA -1.590 59.718 61.300 0.014 0.000 1.374 94 I CB 1.208 39.193 38.000 -0.025 0.000 1.423 94 I HN 0.162 nan 8.210 nan 0.000 0.549 95 P HA 0.079 nan 4.420 nan 0.000 0.270 95 P C -1.147 176.044 177.300 -0.182 0.000 1.223 95 P CA 0.188 63.210 63.100 -0.130 0.000 0.785 95 P CB 0.249 31.927 31.700 -0.037 0.000 0.923 96 H N 2.660 121.514 119.070 -0.359 0.000 2.505 96 H HA 0.212 4.768 4.556 0.001 0.000 0.338 96 H C -1.897 173.020 175.328 -0.686 0.000 1.057 96 H CA -2.219 53.489 56.048 -0.566 0.000 1.202 96 H CB 1.760 31.201 29.762 -0.533 0.000 1.466 96 H HN 0.171 nan 8.280 nan 0.000 0.499 97 P HA -0.230 nan 4.420 nan 0.000 0.219 97 P C 1.152 177.969 177.300 -0.806 0.000 1.158 97 P CA 2.467 64.712 63.100 -1.425 0.000 0.895 97 P CB -0.040 29.994 31.700 -2.777 0.000 0.792 98 A N -0.872 121.570 122.820 -0.629 0.000 2.186 98 A HA -0.033 4.287 4.320 0.001 0.000 0.219 98 A C 2.233 180.097 177.584 0.467 0.000 1.159 98 A CA 1.733 53.923 52.037 0.256 0.000 0.680 98 A CB -1.546 17.829 19.000 0.625 0.000 0.787 98 A HN 0.346 nan 8.150 nan 0.000 0.467 99 G N -1.161 107.730 108.800 0.151 0.000 3.042 99 G HA2 0.364 4.325 3.960 0.001 0.000 0.212 99 G HA3 0.364 4.325 3.960 0.001 0.000 0.212 99 G C 0.496 175.549 174.900 0.255 0.000 1.166 99 G CA -0.285 44.880 45.100 0.109 0.000 0.767 99 G HN 0.393 nan 8.290 nan 0.000 0.546 100 L N 0.398 121.782 121.223 0.270 0.000 2.439 100 L HA 0.389 4.729 4.340 0.001 0.000 0.261 100 L C 0.330 177.372 176.870 0.287 0.000 1.153 100 L CA -0.379 54.591 54.840 0.217 0.000 0.808 100 L CB 1.211 43.348 42.059 0.129 0.000 1.126 100 L HN -0.013 nan 8.230 nan 0.000 0.460 101 K N 1.155 121.635 120.400 0.132 0.000 2.185 101 K HA 0.408 4.728 4.320 0.001 0.000 0.240 101 K C -0.832 175.692 176.600 -0.127 0.000 0.983 101 K CA -1.008 55.323 56.287 0.074 0.000 0.873 101 K CB 1.283 33.825 32.500 0.071 0.000 1.118 101 K HN 0.335 nan 8.250 nan 0.000 0.441 102 K N 2.090 122.436 120.400 -0.089 0.000 2.379 102 K HA 0.091 4.411 4.320 0.001 0.000 0.284 102 K C -0.363 176.178 176.600 -0.098 0.000 1.044 102 K CA 0.227 56.433 56.287 -0.134 0.000 0.974 102 K CB 0.485 32.983 32.500 -0.002 0.000 0.962 102 K HN 0.206 nan 8.250 nan 0.000 0.474 103 K N 2.774 123.096 120.400 -0.129 0.000 2.318 103 K HA 0.202 4.523 4.320 0.001 0.000 0.249 103 K C 0.368 176.896 176.600 -0.120 0.000 0.942 103 K CA -0.839 55.383 56.287 -0.109 0.000 0.808 103 K CB 1.736 34.159 32.500 -0.128 0.000 1.189 103 K HN 0.245 nan 8.250 nan 0.000 0.428 104 K N 0.431 120.767 120.400 -0.106 0.000 2.148 104 K HA 0.015 4.335 4.320 0.001 0.000 0.204 104 K C 0.441 176.928 176.600 -0.189 0.000 1.050 104 K CA 0.903 57.125 56.287 -0.109 0.000 0.942 104 K CB -0.006 32.447 32.500 -0.078 0.000 0.724 104 K HN 0.421 nan 8.250 nan 0.000 0.446 105 S N 0.256 115.776 115.700 -0.299 0.000 2.571 105 S HA 0.520 4.990 4.470 0.001 0.000 0.284 105 S C -0.666 173.568 174.600 -0.611 0.000 1.128 105 S CA -1.077 56.781 58.200 -0.571 0.000 0.970 105 S CB 2.402 64.981 63.200 -1.034 0.000 1.039 105 S HN 0.068 nan 8.310 nan 0.000 0.485 106 V N 0.303 119.868 119.914 -0.583 0.000 2.925 106 V HA 0.963 5.083 4.120 0.001 0.000 0.311 106 V C -0.890 174.790 176.094 -0.690 0.000 1.104 106 V CA -0.327 61.597 62.300 -0.626 0.000 0.954 106 V CB 1.914 33.293 31.823 -0.740 0.000 1.022 106 V HN 0.799 nan 8.190 nan 0.000 0.427 107 T N 2.930 117.121 114.554 -0.606 0.000 2.903 107 T HA 0.711 5.061 4.350 0.001 0.000 0.299 107 T C -1.030 173.415 174.700 -0.424 0.000 1.093 107 T CA -0.567 61.205 62.100 -0.548 0.000 1.002 107 T CB 1.909 70.717 68.868 -0.100 0.000 1.127 107 T HN 0.879 nan 8.240 nan 0.000 0.488 108 V N 3.199 123.046 119.914 -0.113 0.000 2.385 108 V HA 0.352 4.472 4.120 0.001 0.000 0.277 108 V C -0.396 175.927 176.094 0.383 0.000 1.012 108 V CA -0.729 61.673 62.300 0.171 0.000 0.832 108 V CB 0.862 32.906 31.823 0.368 0.000 1.028 108 V HN 0.700 nan 8.190 nan 0.000 0.436 109 L N 3.201 124.571 121.223 0.245 0.000 2.380 109 L HA 0.411 4.752 4.340 0.001 0.000 0.273 109 L C 0.211 177.264 176.870 0.305 0.000 1.138 109 L CA -0.092 54.907 54.840 0.266 0.000 0.832 109 L CB 0.647 42.788 42.059 0.136 0.000 1.124 109 L HN 0.560 nan 8.230 nan 0.000 0.454 110 D N 2.039 122.654 120.400 0.358 0.000 2.396 110 D HA 0.242 4.883 4.640 0.001 0.000 0.225 110 D C -0.551 175.875 176.300 0.210 0.000 1.121 110 D CA -0.423 53.751 54.000 0.290 0.000 0.853 110 D CB 1.201 42.220 40.800 0.364 0.000 1.043 110 D HN 0.118 nan 8.370 nan 0.000 0.500 111 V N 4.339 124.373 119.914 0.200 0.000 2.425 111 V HA 0.263 4.384 4.120 0.001 0.000 0.276 111 V C 1.429 177.609 176.094 0.144 0.000 1.017 111 V CA -0.205 62.208 62.300 0.187 0.000 1.062 111 V CB 0.552 32.530 31.823 0.258 0.000 0.997 111 V HN 0.702 nan 8.190 nan 0.000 0.476 112 G N 3.382 112.255 108.800 0.121 0.000 2.346 112 G HA2 0.378 4.338 3.960 0.001 0.000 0.275 112 G HA3 0.378 4.338 3.960 0.001 0.000 0.275 112 G C 0.357 175.300 174.900 0.071 0.000 1.190 112 G CA 0.124 45.274 45.100 0.084 0.000 1.015 112 G HN 0.899 nan 8.290 nan 0.000 0.441 113 D N 1.577 121.982 120.400 0.009 0.000 4.059 113 D HA -0.348 4.292 4.640 0.001 0.000 0.203 113 D C 1.933 178.240 176.300 0.011 0.000 1.123 113 D CA 3.338 57.309 54.000 -0.047 0.000 2.357 113 D CB -1.328 39.500 40.800 0.046 0.000 1.180 113 D HN 1.708 nan 8.370 nan 0.000 0.422 114 A N -1.289 121.589 122.820 0.098 0.000 4.856 114 A HA -0.324 3.996 4.320 0.001 0.000 0.322 114 A C 0.039 177.619 177.584 -0.008 0.000 1.914 114 A CA 1.868 53.915 52.037 0.017 0.000 0.719 114 A CB -2.184 16.630 19.000 -0.309 0.000 1.353 114 A HN 0.727 nan 8.150 nan 0.000 0.388 115 Y N -0.172 119.835 120.300 -0.489 0.000 2.828 115 Y HA 0.390 4.941 4.550 0.001 0.000 0.359 115 Y C 0.929 177.027 175.900 0.331 0.000 1.258 115 Y CA 1.066 59.099 58.100 -0.112 0.000 1.652 115 Y CB -0.765 37.610 38.460 -0.141 0.000 1.232 115 Y HN 0.798 nan 8.280 nan 0.000 0.513 116 F N -1.170 118.865 119.950 0.142 0.000 1.097 116 F HA -0.208 4.319 4.527 0.001 0.000 0.350 116 F C 1.351 177.227 175.800 0.126 0.000 0.509 116 F CA 0.358 58.439 58.000 0.135 0.000 2.674 116 F CB -0.894 38.171 39.000 0.109 0.000 3.597 116 F HN 0.262 nan 8.300 nan 0.000 0.205 117 S N -0.375 115.507 115.700 0.302 0.000 2.559 117 S HA 0.433 4.904 4.470 0.001 0.000 0.226 117 S C 0.139 174.861 174.600 0.203 0.000 1.000 117 S CA 0.159 58.496 58.200 0.228 0.000 0.948 117 S CB 1.420 64.760 63.200 0.232 0.000 0.870 117 S HN -0.054 nan 8.310 nan 0.000 0.497 118 V N 5.292 125.335 119.914 0.216 0.000 2.370 118 V HA 0.383 4.503 4.120 0.001 0.000 0.283 118 V C -2.347 173.825 176.094 0.130 0.000 1.023 118 V CA -2.181 60.224 62.300 0.175 0.000 0.857 118 V CB 1.575 33.523 31.823 0.208 0.000 0.985 118 V HN 0.119 nan 8.190 nan 0.000 0.443 119 P HA 0.164 nan 4.420 nan 0.000 0.272 119 P C -0.748 176.590 177.300 0.063 0.000 1.223 119 P CA -0.420 62.724 63.100 0.075 0.000 0.784 119 P CB 1.288 33.029 31.700 0.068 0.000 0.923 120 L N 2.191 123.437 121.223 0.039 0.000 2.334 120 L HA 0.326 4.667 4.340 0.001 0.000 0.277 120 L C 0.174 177.060 176.870 0.027 0.000 1.075 120 L CA -0.421 54.421 54.840 0.005 0.000 0.804 120 L CB -0.152 41.878 42.059 -0.048 0.000 1.174 120 L HN 0.288 nan 8.230 nan 0.000 0.438 121 D N 2.318 122.734 120.400 0.027 0.000 2.581 121 D HA -0.128 4.512 4.640 0.001 0.000 0.238 121 D C 1.108 177.455 176.300 0.079 0.000 1.145 121 D CA 0.612 54.648 54.000 0.060 0.000 0.866 121 D CB 0.777 41.616 40.800 0.065 0.000 1.151 121 D HN 0.677 nan 8.370 nan 0.000 0.500 122 E N 2.818 123.052 120.200 0.056 0.000 2.114 122 E HA -0.246 4.104 4.350 0.001 0.000 0.199 122 E C 0.786 177.401 176.600 0.026 0.000 1.008 122 E CA 1.970 58.392 56.400 0.036 0.000 0.810 122 E CB -0.062 29.654 29.700 0.027 0.000 0.739 122 E HN 0.605 nan 8.360 nan 0.000 0.456 123 D N -1.385 119.047 120.400 0.053 0.000 2.348 123 D HA -0.064 4.576 4.640 0.001 0.000 0.216 123 D C 0.895 177.186 176.300 -0.015 0.000 0.970 123 D CA 0.572 54.589 54.000 0.027 0.000 0.889 123 D CB -0.120 40.725 40.800 0.074 0.000 0.912 123 D HN 0.289 nan 8.370 nan 0.000 0.524 124 F N 0.310 120.183 119.950 -0.129 0.000 2.720 124 F HA 0.247 4.774 4.527 0.001 0.000 0.301 124 F C 1.642 177.286 175.800 -0.260 0.000 1.103 124 F CA -0.209 57.699 58.000 -0.153 0.000 1.291 124 F CB 0.345 39.337 39.000 -0.012 0.000 1.086 124 F HN -0.266 nan 8.300 nan 0.000 0.592 125 R N 1.246 121.671 120.500 -0.124 0.000 2.105 125 R HA -0.190 4.151 4.340 0.001 0.000 0.239 125 R C 2.256 178.393 176.300 -0.271 0.000 1.135 125 R CA 1.865 57.885 56.100 -0.133 0.000 0.967 125 R CB -0.651 29.622 30.300 -0.046 0.000 0.861 125 R HN 0.362 nan 8.270 nan 0.000 0.442 126 K N 0.659 120.810 120.400 -0.414 0.000 2.107 126 K HA -0.239 4.082 4.320 0.001 0.000 0.211 126 K C 1.271 177.598 176.600 -0.455 0.000 1.049 126 K CA 2.050 58.083 56.287 -0.425 0.000 0.927 126 K CB -0.649 31.540 32.500 -0.518 0.000 0.714 126 K HN 0.247 nan 8.250 nan 0.000 0.452 127 Y N 2.177 122.153 120.300 -0.541 0.000 2.632 127 Y HA -0.013 4.537 4.550 0.001 0.000 0.301 127 Y C 1.943 177.687 175.900 -0.259 0.000 1.172 127 Y CA 1.005 58.724 58.100 -0.634 0.000 1.328 127 Y CB -0.563 37.348 38.460 -0.916 0.000 1.016 127 Y HN 0.375 nan 8.280 nan 0.000 0.529 128 T N -2.658 111.879 114.554 -0.027 0.000 3.186 128 T HA 0.607 4.957 4.350 0.001 0.000 0.257 128 T C 0.759 175.746 174.700 0.478 0.000 1.029 128 T CA -0.124 62.133 62.100 0.262 0.000 0.916 128 T CB -0.566 68.405 68.868 0.171 0.000 1.041 128 T HN 0.200 nan 8.240 nan 0.000 0.562 129 A N 1.575 124.577 122.820 0.305 0.000 2.448 129 A HA 0.624 4.944 4.320 0.001 0.000 0.239 129 A C 0.003 177.838 177.584 0.418 0.000 1.080 129 A CA -0.457 51.743 52.037 0.272 0.000 0.779 129 A CB -0.124 18.960 19.000 0.140 0.000 1.026 129 A HN 0.793 nan 8.150 nan 0.000 0.499 130 F N -1.675 118.332 119.950 0.096 0.000 2.950 130 F HA 0.845 5.372 4.527 0.001 0.000 0.327 130 F C -0.334 175.480 175.800 0.024 0.000 1.197 130 F CA -0.534 57.493 58.000 0.045 0.000 0.954 130 F CB 1.044 40.055 39.000 0.019 0.000 1.442 130 F HN 0.598 nan 8.300 nan 0.000 0.509 131 T N 0.041 114.694 114.554 0.165 0.000 2.952 131 T HA 0.721 5.072 4.350 0.001 0.000 0.305 131 T C -1.147 173.608 174.700 0.092 0.000 1.064 131 T CA -0.439 61.672 62.100 0.019 0.000 1.008 131 T CB 1.655 70.525 68.868 0.003 0.000 1.078 131 T HN 0.742 nan 8.240 nan 0.000 0.459 132 I N 4.026 124.612 120.570 0.027 0.000 2.382 132 I HA 0.373 4.543 4.170 0.001 0.000 0.285 132 I C -2.162 173.957 176.117 0.004 0.000 1.007 132 I CA -2.510 58.823 61.300 0.055 0.000 1.142 132 I CB 2.163 40.212 38.000 0.082 0.000 1.289 132 I HN 0.402 nan 8.210 nan 0.000 0.453 133 P HA 0.277 nan 4.420 nan 0.000 0.277 133 P C -0.521 176.776 177.300 -0.005 0.000 1.276 133 P CA -0.158 62.941 63.100 -0.002 0.000 0.788 133 P CB 1.207 32.916 31.700 0.015 0.000 1.114 134 S N -1.525 114.168 115.700 -0.012 0.000 2.998 134 S HA 0.382 4.852 4.470 0.001 0.000 0.321 134 S C 1.155 175.751 174.600 -0.008 0.000 1.171 134 S CA -0.615 57.577 58.200 -0.013 0.000 0.882 134 S CB -0.272 62.913 63.200 -0.024 0.000 1.301 134 S HN 0.148 nan 8.310 nan 0.000 0.629 135 I N 2.638 123.202 120.570 -0.010 0.000 2.034 135 I HA -0.065 4.105 4.170 0.001 0.000 0.228 135 I C 1.511 177.623 176.117 -0.008 0.000 1.041 135 I CA 1.292 62.588 61.300 -0.007 0.000 1.321 135 I CB -1.046 36.949 38.000 -0.008 0.000 1.062 135 I HN 0.866 nan 8.210 nan 0.000 0.389 136 N N 2.285 120.977 118.700 -0.013 0.000 2.160 136 N HA -0.218 4.523 4.740 0.001 0.000 0.283 136 N C 0.229 175.728 175.510 -0.017 0.000 1.363 136 N CA 0.066 53.107 53.050 -0.015 0.000 0.848 136 N CB -0.180 38.295 38.487 -0.020 0.000 1.127 136 N HN 0.237 nan 8.380 nan 0.000 0.493 137 N N 2.755 121.447 118.700 -0.014 0.000 2.938 137 N HA -0.045 4.695 4.740 0.001 0.000 0.286 137 N C -1.217 174.275 175.510 -0.029 0.000 1.316 137 N CA 0.293 53.332 53.050 -0.018 0.000 1.063 137 N CB -0.096 38.384 38.487 -0.012 0.000 1.388 137 N HN 0.637 nan 8.380 nan 0.000 0.545 138 E N -1.328 118.853 120.200 -0.032 0.000 2.388 138 E HA 0.217 4.567 4.350 0.001 0.000 0.280 138 E C -1.195 175.379 176.600 -0.043 0.000 1.019 138 E CA -0.787 55.590 56.400 -0.039 0.000 0.806 138 E CB 0.586 30.266 29.700 -0.034 0.000 1.246 138 E HN 0.140 nan 8.360 nan 0.000 0.443 139 T N 2.822 117.345 114.554 -0.050 0.000 2.751 139 T HA 0.320 4.670 4.350 0.001 0.000 0.290 139 T C -1.677 172.992 174.700 -0.051 0.000 0.919 139 T CA -0.709 61.357 62.100 -0.057 0.000 1.136 139 T CB -0.008 68.821 68.868 -0.065 0.000 0.875 139 T HN 0.460 nan 8.240 nan 0.000 0.532 140 P HA -0.237 nan 4.420 nan 0.000 0.271 140 P C 0.979 178.237 177.300 -0.069 0.000 1.272 140 P CA 1.812 64.878 63.100 -0.056 0.000 1.296 140 P CB -0.981 30.692 31.700 -0.045 0.000 0.698 141 G N -1.218 107.542 108.800 -0.066 0.000 2.907 141 G HA2 -0.123 3.837 3.960 0.001 0.000 0.242 141 G HA3 -0.123 3.837 3.960 0.001 0.000 0.242 141 G C -0.715 174.115 174.900 -0.116 0.000 1.448 141 G CA -0.005 45.048 45.100 -0.078 0.000 0.911 141 G HN 0.826 nan 8.290 nan 0.000 0.553 142 I N -0.723 119.756 120.570 -0.153 0.000 2.787 142 I HA 0.647 4.817 4.170 0.001 0.000 0.294 142 I C -0.851 175.061 176.117 -0.341 0.000 1.365 142 I CA -1.135 60.008 61.300 -0.262 0.000 1.029 142 I CB 1.728 39.552 38.000 -0.293 0.000 1.313 142 I HN 0.745 nan 8.210 nan 0.000 0.431 143 R N 6.153 126.379 120.500 -0.457 0.000 2.473 143 R HA 0.424 4.764 4.340 0.001 0.000 0.303 143 R C -1.649 174.316 176.300 -0.558 0.000 1.002 143 R CA -0.584 55.260 56.100 -0.427 0.000 0.884 143 R CB 1.822 31.976 30.300 -0.243 0.000 1.173 143 R HN 0.456 nan 8.270 nan 0.000 0.464 144 Y N 1.285 121.239 120.300 -0.578 0.000 2.564 144 Y HA 0.393 4.943 4.550 0.001 0.000 0.347 144 Y C 0.437 176.055 175.900 -0.470 0.000 1.284 144 Y CA -0.363 57.366 58.100 -0.619 0.000 1.449 144 Y CB 1.102 38.993 38.460 -0.948 0.000 1.606 144 Y HN 0.423 nan 8.280 nan 0.000 0.594 145 Q N -0.426 119.314 119.800 -0.099 0.000 2.766 145 Q HA 0.220 4.560 4.340 0.001 0.000 0.240 145 Q C -2.380 173.631 176.000 0.018 0.000 0.993 145 Q CA -0.599 55.226 55.803 0.037 0.000 1.006 145 Q CB 0.543 29.287 28.738 0.010 0.000 1.804 145 Q HN 0.631 nan 8.270 nan 0.000 0.464 146 Y N 2.325 122.696 120.300 0.118 0.000 2.346 146 Y HA 0.252 4.803 4.550 0.001 0.000 0.330 146 Y C 1.045 176.931 175.900 -0.025 0.000 1.178 146 Y CA 0.413 58.539 58.100 0.043 0.000 1.331 146 Y CB 0.879 39.357 38.460 0.029 0.000 1.253 146 Y HN 0.655 nan 8.280 nan 0.000 0.529 147 N N 1.113 119.876 118.700 0.104 0.000 2.171 147 N HA 0.128 4.869 4.740 0.001 0.000 0.212 147 N C -1.075 174.467 175.510 0.054 0.000 1.184 147 N CA 0.319 53.399 53.050 0.050 0.000 0.888 147 N CB 1.478 39.972 38.487 0.011 0.000 1.038 147 N HN 0.327 nan 8.380 nan 0.000 0.517 148 V N 0.718 120.683 119.914 0.086 0.000 3.147 148 V HA 0.367 4.488 4.120 0.001 0.000 0.306 148 V C -0.931 175.187 176.094 0.041 0.000 1.209 148 V CA -0.946 61.389 62.300 0.059 0.000 1.023 148 V CB 2.506 34.340 31.823 0.018 0.000 1.059 148 V HN -0.057 nan 8.190 nan 0.000 0.435 149 L N 5.561 126.829 121.223 0.075 0.000 2.700 149 L HA 0.145 4.485 4.340 0.001 0.000 0.272 149 L C -2.133 174.768 176.870 0.052 0.000 1.176 149 L CA -0.847 54.051 54.840 0.097 0.000 0.961 149 L CB 0.008 42.201 42.059 0.224 0.000 1.249 149 L HN 0.488 nan 8.230 nan 0.000 0.487 150 P HA 0.113 nan 4.420 nan 0.000 0.274 150 P C -0.029 177.258 177.300 -0.022 0.000 1.237 150 P CA -0.461 62.354 63.100 -0.475 0.000 0.793 150 P CB 0.765 31.777 31.700 -1.147 0.000 0.977 151 Q N 1.310 121.184 119.800 0.122 0.000 2.002 151 Q HA -0.076 4.264 4.340 0.001 0.000 0.204 151 Q C 2.073 178.132 176.000 0.098 0.000 0.988 151 Q CA 2.379 58.258 55.803 0.127 0.000 0.843 151 Q CB -1.144 27.677 28.738 0.138 0.000 0.908 151 Q HN 0.678 nan 8.270 nan 0.000 0.420 152 G N -1.402 107.542 108.800 0.241 0.000 3.141 152 G HA2 -0.011 3.949 3.960 0.001 0.000 0.218 152 G HA3 -0.011 3.949 3.960 0.001 0.000 0.218 152 G C -0.567 174.465 174.900 0.220 0.000 1.170 152 G CA -0.627 44.606 45.100 0.223 0.000 0.769 152 G HN 0.174 nan 8.290 nan 0.000 0.546 153 W N 1.651 122.879 121.300 -0.120 0.000 2.148 153 W HA 0.230 4.891 4.660 0.001 0.000 0.347 153 W C 1.597 178.066 176.519 -0.082 0.000 1.288 153 W CA -0.751 56.453 57.345 -0.235 0.000 1.252 153 W CB 0.973 30.162 29.460 -0.451 0.000 1.156 153 W HN 0.012 nan 8.180 nan 0.000 0.580 154 K N 2.175 122.130 120.400 -0.742 0.000 2.148 154 K HA -0.049 4.271 4.320 0.001 0.000 0.204 154 K C 1.643 177.706 176.600 -0.895 0.000 1.050 154 K CA 1.631 57.553 56.287 -0.608 0.000 0.942 154 K CB -0.555 31.726 32.500 -0.365 0.000 0.724 154 K HN 0.681 nan 8.250 nan 0.000 0.446 155 G N -0.451 107.229 108.800 -1.865 0.000 3.042 155 G HA2 -0.028 3.932 3.960 0.001 0.000 0.212 155 G HA3 -0.028 3.932 3.960 0.001 0.000 0.212 155 G C 0.948 175.220 174.900 -1.047 0.000 1.166 155 G CA -0.125 43.771 45.100 -2.008 0.000 0.767 155 G HN 0.214 nan 8.290 nan 0.000 0.546 156 S N 1.210 116.633 115.700 -0.462 0.000 2.461 156 S HA 0.008 4.479 4.470 0.001 0.000 0.228 156 S C -0.171 174.419 174.600 -0.017 0.000 1.005 156 S CA 0.745 58.959 58.200 0.024 0.000 0.942 156 S CB -0.088 63.302 63.200 0.317 0.000 0.776 156 S HN 0.409 nan 8.310 nan 0.000 0.514 157 P HA 0.266 nan 4.420 nan 0.000 0.224 157 P C 1.284 178.482 177.300 -0.171 0.000 1.159 157 P CA 0.676 63.739 63.100 -0.061 0.000 0.824 157 P CB 0.075 31.781 31.700 0.010 0.000 0.833 158 A N 0.602 123.231 122.820 -0.317 0.000 1.873 158 A HA -0.111 4.209 4.320 0.001 0.000 0.215 158 A C 2.340 179.755 177.584 -0.281 0.000 1.186 158 A CA 1.281 53.122 52.037 -0.327 0.000 0.616 158 A CB -1.575 17.128 19.000 -0.495 0.000 0.823 158 A HN 0.059 nan 8.150 nan 0.000 0.442 159 I N -1.843 118.520 120.570 -0.346 0.000 2.252 159 I HA -0.206 3.964 4.170 0.001 0.000 0.245 159 I C 2.348 178.393 176.117 -0.120 0.000 1.102 159 I CA 1.472 62.664 61.300 -0.180 0.000 1.385 159 I CB -0.284 37.658 38.000 -0.096 0.000 1.064 159 I HN 0.462 nan 8.210 nan 0.000 0.414 160 F N 1.587 121.377 119.950 -0.267 0.000 2.126 160 F HA -0.301 4.227 4.527 0.001 0.000 0.299 160 F C 2.633 178.279 175.800 -0.256 0.000 1.096 160 F CA 2.002 59.813 58.000 -0.316 0.000 1.255 160 F CB -0.420 38.198 39.000 -0.637 0.000 0.997 160 F HN 0.076 nan 8.300 nan 0.000 0.479 161 Q N -0.671 118.909 119.800 -0.366 0.000 2.224 161 Q HA -0.166 4.175 4.340 0.001 0.000 0.203 161 Q C 2.296 178.116 176.000 -0.299 0.000 0.970 161 Q CA 1.518 57.106 55.803 -0.358 0.000 0.865 161 Q CB -0.259 28.374 28.738 -0.174 0.000 0.922 161 Q HN 0.461 nan 8.270 nan 0.000 0.445 162 S N -0.536 115.024 115.700 -0.233 0.000 2.357 162 S HA -0.081 4.390 4.470 0.001 0.000 0.221 162 S C 2.003 176.478 174.600 -0.207 0.000 1.031 162 S CA 1.351 59.452 58.200 -0.164 0.000 0.982 162 S CB -0.247 62.894 63.200 -0.097 0.000 0.853 162 S HN 0.491 nan 8.310 nan 0.000 0.458 163 S N 1.221 116.771 115.700 -0.249 0.000 2.387 163 S HA -0.138 4.332 4.470 0.001 0.000 0.230 163 S C 1.813 176.203 174.600 -0.350 0.000 1.035 163 S CA 1.832 59.877 58.200 -0.259 0.000 1.014 163 S CB -0.435 62.636 63.200 -0.214 0.000 0.836 163 S HN 0.616 nan 8.310 nan 0.000 0.466 164 M N 1.584 120.895 119.600 -0.481 0.000 2.123 164 M HA -0.066 4.414 4.480 0.001 0.000 0.263 164 M C 2.320 178.458 176.300 -0.270 0.000 1.069 164 M CA 1.887 56.928 55.300 -0.432 0.000 1.133 164 M CB -0.780 31.485 32.600 -0.559 0.000 1.356 164 M HN 0.344 nan 8.290 nan 0.000 0.415 165 T N -1.512 112.914 114.554 -0.213 0.000 3.007 165 T HA -0.129 4.222 4.350 0.001 0.000 0.270 165 T C 1.789 176.412 174.700 -0.129 0.000 1.107 165 T CA 1.627 63.653 62.100 -0.124 0.000 1.118 165 T CB -0.279 68.546 68.868 -0.073 0.000 0.889 165 T HN 0.442 nan 8.240 nan 0.000 0.506 166 K N 0.636 120.925 120.400 -0.184 0.000 1.991 166 K HA 0.243 4.563 4.320 0.001 0.000 0.207 166 K C 2.169 178.594 176.600 -0.292 0.000 1.045 166 K CA 1.272 57.437 56.287 -0.203 0.000 0.937 166 K CB -0.330 32.038 32.500 -0.220 0.000 0.720 166 K HN 0.370 nan 8.250 nan 0.000 0.438 167 I N 1.214 121.522 120.570 -0.437 0.000 2.502 167 I HA -0.289 3.881 4.170 0.001 0.000 0.258 167 I C 1.707 177.656 176.117 -0.279 0.000 1.172 167 I CA 1.109 62.008 61.300 -0.668 0.000 1.430 167 I CB -0.170 37.432 38.000 -0.663 0.000 1.086 167 I HN 0.220 nan 8.210 nan 0.000 0.440 168 L N -0.454 120.694 121.223 -0.125 0.000 2.298 168 L HA -0.012 4.329 4.340 0.001 0.000 0.209 168 L C 2.307 179.222 176.870 0.076 0.000 1.084 168 L CA 0.436 55.291 54.840 0.025 0.000 0.816 168 L CB -0.407 41.650 42.059 -0.003 0.000 0.967 168 L HN 0.111 nan 8.230 nan 0.000 0.460 169 E N 0.577 120.785 120.200 0.013 0.000 2.136 169 E HA -0.259 4.091 4.350 0.001 0.000 0.202 169 E C -0.689 175.939 176.600 0.048 0.000 1.019 169 E CA 1.864 58.279 56.400 0.024 0.000 0.819 169 E CB -0.758 28.939 29.700 -0.005 0.000 0.739 169 E HN 0.435 nan 8.360 nan 0.000 0.458 170 P HA -0.153 nan 4.420 nan 0.000 0.216 170 P C 1.120 178.421 177.300 0.002 0.000 1.153 170 P CA 0.965 64.103 63.100 0.063 0.000 0.848 170 P CB -0.093 31.700 31.700 0.155 0.000 0.787 171 F N 1.221 121.062 119.950 -0.182 0.000 2.186 171 F HA -0.081 4.446 4.527 0.001 0.000 0.299 171 F C 1.833 177.563 175.800 -0.117 0.000 1.090 171 F CA 1.470 59.331 58.000 -0.232 0.000 1.307 171 F CB -0.277 38.557 39.000 -0.277 0.000 1.019 171 F HN -0.252 nan 8.300 nan 0.000 0.489 172 K N -0.081 120.402 120.400 0.138 0.000 2.211 172 K HA -0.127 4.193 4.320 0.001 0.000 0.203 172 K C 2.024 178.598 176.600 -0.043 0.000 1.050 172 K CA 0.733 57.053 56.287 0.055 0.000 0.945 172 K CB -0.074 32.473 32.500 0.078 0.000 0.732 172 K HN 0.184 nan 8.250 nan 0.000 0.451 173 K N 1.376 121.746 120.400 -0.050 0.000 1.984 173 K HA -0.112 4.208 4.320 0.001 0.000 0.209 173 K C 2.086 178.621 176.600 -0.108 0.000 1.046 173 K CA 1.368 57.620 56.287 -0.059 0.000 0.934 173 K CB -0.252 32.228 32.500 -0.033 0.000 0.717 173 K HN 0.264 nan 8.250 nan 0.000 0.438 174 Q N 0.517 120.217 119.800 -0.168 0.000 2.234 174 Q HA -0.130 4.211 4.340 0.001 0.000 0.206 174 Q C -0.144 175.704 176.000 -0.252 0.000 0.980 174 Q CA 1.030 56.708 55.803 -0.209 0.000 0.869 174 Q CB -0.168 28.417 28.738 -0.255 0.000 0.912 174 Q HN 0.291 nan 8.270 nan 0.000 0.436 175 N N 0.360 118.872 118.700 -0.315 0.000 2.776 175 N HA 0.147 4.887 4.740 0.001 0.000 0.245 175 N C -2.391 173.032 175.510 -0.146 0.000 1.121 175 N CA -1.175 51.714 53.050 -0.268 0.000 0.852 175 N CB 1.545 39.778 38.487 -0.424 0.000 1.142 175 N HN -0.091 nan 8.380 nan 0.000 0.514 176 P HA 0.001 nan 4.420 nan 0.000 0.229 176 P C 0.138 177.417 177.300 -0.034 0.000 1.160 176 P CA 0.856 63.926 63.100 -0.050 0.000 0.777 176 P CB 0.464 32.140 31.700 -0.041 0.000 0.814 177 D N -0.758 119.615 120.400 -0.045 0.000 2.271 177 D HA 0.044 4.684 4.640 0.001 0.000 0.206 177 D C 1.001 177.284 176.300 -0.030 0.000 0.967 177 D CA 0.279 54.261 54.000 -0.031 0.000 0.867 177 D CB -0.177 40.604 40.800 -0.032 0.000 0.960 177 D HN 0.202 nan 8.370 nan 0.000 0.509 178 I N 2.024 122.571 120.570 -0.039 0.000 2.618 178 I HA -0.035 4.136 4.170 0.001 0.000 0.284 178 I C 0.281 176.375 176.117 -0.038 0.000 1.146 178 I CA -0.239 61.042 61.300 -0.031 0.000 1.425 178 I CB 0.930 38.930 38.000 0.001 0.000 1.383 178 I HN -0.204 nan 8.210 nan 0.000 0.562 179 V N 6.733 126.591 119.914 -0.093 0.000 2.384 179 V HA 0.571 4.692 4.120 0.001 0.000 0.287 179 V C -0.350 175.567 176.094 -0.295 0.000 1.020 179 V CA -0.518 61.670 62.300 -0.187 0.000 0.850 179 V CB 1.237 32.906 31.823 -0.258 0.000 0.987 179 V HN 0.481 nan 8.190 nan 0.000 0.436 180 I N 6.549 127.001 120.570 -0.196 0.000 2.354 180 I HA 0.502 4.673 4.170 0.001 0.000 0.292 180 I C -1.058 175.055 176.117 -0.007 0.000 0.989 180 I CA -0.552 60.673 61.300 -0.125 0.000 1.188 180 I CB 1.508 39.505 38.000 -0.004 0.000 1.342 180 I HN 0.556 nan 8.210 nan 0.000 0.457 181 Y N 4.611 124.964 120.300 0.089 0.000 2.364 181 Y HA 0.414 4.964 4.550 0.001 0.000 0.340 181 Y C 0.140 176.185 175.900 0.241 0.000 0.975 181 Y CA -1.051 57.111 58.100 0.104 0.000 1.089 181 Y CB 1.312 39.744 38.460 -0.046 0.000 1.192 181 Y HN 0.487 nan 8.280 nan 0.000 0.454 182 Q N 2.630 122.687 119.800 0.428 0.000 2.226 182 Q HA 0.385 4.725 4.340 0.001 0.000 0.256 182 Q C -1.992 174.308 176.000 0.502 0.000 0.962 182 Q CA -0.812 55.228 55.803 0.394 0.000 0.887 182 Q CB 2.090 30.942 28.738 0.189 0.000 1.282 182 Q HN 0.856 nan 8.270 nan 0.000 0.449 183 Y N 4.201 124.698 120.300 0.330 0.000 2.265 183 Y HA 0.164 4.714 4.550 0.001 0.000 0.325 183 Y C 0.033 176.033 175.900 0.166 0.000 1.190 183 Y CA -0.144 58.070 58.100 0.190 0.000 1.224 183 Y CB 0.406 38.902 38.460 0.061 0.000 1.200 183 Y HN 0.986 nan 8.280 nan 0.000 0.421 184 M N 1.182 120.714 119.600 -0.113 0.000 7.319 184 M HA -0.411 4.070 4.480 0.001 0.000 0.321 184 M C 0.315 176.780 176.300 0.274 0.000 0.480 184 M CA 2.328 57.677 55.300 0.083 0.000 1.311 184 M CB -0.813 31.787 32.600 0.001 0.000 0.421 184 M HN 0.658 nan 8.290 nan 0.000 0.817 185 D N 0.823 121.358 120.400 0.225 0.000 2.355 185 D HA 0.095 4.735 4.640 0.001 0.000 0.218 185 D C -0.212 176.238 176.300 0.251 0.000 1.004 185 D CA 0.762 54.896 54.000 0.223 0.000 0.880 185 D CB -0.195 40.678 40.800 0.122 0.000 0.911 185 D HN 0.370 nan 8.370 nan 0.000 0.528 186 D N 0.851 121.432 120.400 0.300 0.000 2.168 186 D HA 0.337 4.977 4.640 0.001 0.000 0.246 186 D C -0.374 176.242 176.300 0.527 0.000 1.050 186 D CA -0.493 53.744 54.000 0.396 0.000 0.857 186 D CB 2.597 43.643 40.800 0.411 0.000 1.169 186 D HN -0.093 nan 8.370 nan 0.000 0.453 187 L N 3.144 124.627 121.223 0.434 0.000 2.372 187 L HA 0.236 4.576 4.340 0.001 0.000 0.274 187 L C -1.378 175.607 176.870 0.191 0.000 0.988 187 L CA -0.860 54.174 54.840 0.323 0.000 0.833 187 L CB 1.308 43.481 42.059 0.190 0.000 1.236 187 L HN 0.267 nan 8.230 nan 0.000 0.410 188 Y N 5.186 125.388 120.300 -0.165 0.000 2.313 188 Y HA 0.638 5.188 4.550 0.001 0.000 0.332 188 Y C -0.954 174.715 175.900 -0.384 0.000 1.071 188 Y CA -0.759 57.033 58.100 -0.513 0.000 1.169 188 Y CB 1.284 38.972 38.460 -1.287 0.000 1.192 188 Y HN 0.269 nan 8.280 nan 0.000 0.487 189 V N 7.507 127.097 119.914 -0.540 0.000 2.305 189 V HA 0.480 4.600 4.120 0.001 0.000 0.275 189 V C 0.511 176.290 176.094 -0.525 0.000 1.020 189 V CA -0.433 61.630 62.300 -0.394 0.000 0.811 189 V CB 0.655 32.343 31.823 -0.226 0.000 1.031 189 V HN 1.062 nan 8.190 nan 0.000 0.439 190 G N 2.314 110.803 108.800 -0.519 0.000 2.504 190 G HA2 0.670 4.630 3.960 0.001 0.000 0.288 190 G HA3 0.670 4.630 3.960 0.001 0.000 0.288 190 G C -0.374 174.467 174.900 -0.099 0.000 1.182 190 G CA -0.166 44.720 45.100 -0.355 0.000 0.894 190 G HN 0.863 nan 8.290 nan 0.000 0.521 191 S N -1.021 114.645 115.700 -0.057 0.000 2.614 191 S HA 0.285 4.755 4.470 0.001 0.000 0.280 191 S C -1.463 173.126 174.600 -0.019 0.000 1.111 191 S CA -0.681 57.532 58.200 0.023 0.000 0.847 191 S CB 1.651 64.981 63.200 0.216 0.000 1.079 191 S HN 0.385 nan 8.310 nan 0.000 0.452 192 D N 2.384 122.779 120.400 -0.008 0.000 2.525 192 D HA 0.282 4.923 4.640 0.001 0.000 0.229 192 D C 0.013 176.309 176.300 -0.007 0.000 1.202 192 D CA 0.072 54.058 54.000 -0.023 0.000 0.828 192 D CB 0.191 40.977 40.800 -0.023 0.000 1.008 192 D HN 0.441 nan 8.370 nan 0.000 0.493 193 L N 1.549 122.786 121.223 0.024 0.000 2.371 193 L HA 0.188 4.528 4.340 0.001 0.000 0.272 193 L C 0.976 177.858 176.870 0.020 0.000 1.124 193 L CA -0.704 54.156 54.840 0.034 0.000 0.816 193 L CB 0.615 42.717 42.059 0.071 0.000 1.129 193 L HN 0.039 nan 8.230 nan 0.000 0.448 194 E N 2.006 122.213 120.200 0.012 0.000 2.608 194 E HA -0.102 4.248 4.350 0.001 0.000 0.259 194 E C 0.863 177.471 176.600 0.014 0.000 0.951 194 E CA -0.517 55.885 56.400 0.003 0.000 0.945 194 E CB 0.470 30.173 29.700 0.007 0.000 0.916 194 E HN 0.367 nan 8.360 nan 0.000 0.477 195 I N 3.438 123.999 120.570 -0.015 0.000 2.244 195 I HA -0.346 3.824 4.170 0.001 0.000 0.252 195 I C 2.057 178.199 176.117 0.042 0.000 1.062 195 I CA 2.219 63.510 61.300 -0.015 0.000 1.342 195 I CB -1.965 36.026 38.000 -0.017 0.000 1.031 195 I HN 0.908 nan 8.210 nan 0.000 0.433 196 G N -0.602 108.222 108.800 0.039 0.000 2.396 196 G HA2 -0.176 3.785 3.960 0.001 0.000 0.214 196 G HA3 -0.176 3.785 3.960 0.001 0.000 0.214 196 G C 1.532 176.464 174.900 0.053 0.000 1.166 196 G CA 0.174 45.300 45.100 0.043 0.000 0.793 196 G HN 0.444 nan 8.290 nan 0.000 0.533 197 Q N -0.569 119.263 119.800 0.052 0.000 2.046 197 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 197 Q C 2.197 178.230 176.000 0.054 0.000 0.975 197 Q CA 0.840 56.667 55.803 0.041 0.000 0.836 197 Q CB -0.433 28.320 28.738 0.026 0.000 0.896 197 Q HN 0.588 nan 8.270 nan 0.000 0.428 198 H N 1.886 120.945 119.070 -0.019 0.000 2.306 198 H HA -0.199 4.358 4.556 0.001 0.000 0.289 198 H C 2.019 177.341 175.328 -0.010 0.000 1.081 198 H CA 2.263 58.296 56.048 -0.025 0.000 1.163 198 H CB 0.057 29.790 29.762 -0.047 0.000 1.357 198 H HN 0.139 nan 8.280 nan 0.000 0.524 199 R N -0.724 119.872 120.500 0.161 0.000 2.204 199 R HA -0.142 4.198 4.340 0.001 0.000 0.253 199 R C 2.406 178.720 176.300 0.023 0.000 1.172 199 R CA 1.900 58.055 56.100 0.092 0.000 0.994 199 R CB -0.223 30.132 30.300 0.091 0.000 0.874 199 R HN 0.415 nan 8.270 nan 0.000 0.462 200 T N 0.365 114.927 114.554 0.012 0.000 2.852 200 T HA -0.004 4.347 4.350 0.001 0.000 0.256 200 T C 1.571 176.274 174.700 0.004 0.000 1.038 200 T CA 0.499 62.605 62.100 0.010 0.000 1.141 200 T CB 0.098 68.974 68.868 0.013 0.000 0.869 200 T HN 0.045 nan 8.240 nan 0.000 0.439 201 K N 1.623 122.005 120.400 -0.029 0.000 2.001 201 K HA -0.023 4.297 4.320 0.001 0.000 0.214 201 K C 2.136 178.753 176.600 0.029 0.000 1.050 201 K CA 1.025 57.317 56.287 0.009 0.000 0.934 201 K CB -0.946 31.512 32.500 -0.071 0.000 0.718 201 K HN 0.254 nan 8.250 nan 0.000 0.443 202 I N 1.790 122.291 120.570 -0.115 0.000 2.381 202 I HA -0.250 3.920 4.170 0.001 0.000 0.255 202 I C 2.281 178.384 176.117 -0.022 0.000 1.140 202 I CA 1.361 62.602 61.300 -0.099 0.000 1.404 202 I CB -0.884 37.051 38.000 -0.109 0.000 1.075 202 I HN 0.382 nan 8.210 nan 0.000 0.433 203 E N 0.990 121.196 120.200 0.011 0.000 2.122 203 E HA -0.158 4.192 4.350 0.001 0.000 0.190 203 E C 1.897 178.535 176.600 0.063 0.000 0.977 203 E CA 0.593 57.012 56.400 0.032 0.000 0.820 203 E CB 0.208 29.928 29.700 0.033 0.000 0.770 203 E HN 0.516 nan 8.360 nan 0.000 0.462 204 E N 0.554 120.818 120.200 0.106 0.000 2.110 204 E HA -0.195 4.155 4.350 0.001 0.000 0.193 204 E C 2.125 178.865 176.600 0.234 0.000 0.988 204 E CA 0.956 57.468 56.400 0.188 0.000 0.804 204 E CB -0.034 29.803 29.700 0.228 0.000 0.745 204 E HN 0.141 nan 8.360 nan 0.000 0.458 205 L N 0.765 122.044 121.223 0.094 0.000 2.072 205 L HA -0.080 4.261 4.340 0.001 0.000 0.205 205 L C 2.214 179.002 176.870 -0.136 0.000 1.079 205 L CA 1.578 56.199 54.840 -0.365 0.000 0.752 205 L CB -0.100 41.537 42.059 -0.704 0.000 0.906 205 L HN -0.134 nan 8.230 nan 0.000 0.436 206 R N -1.053 119.420 120.500 -0.044 0.000 2.152 206 R HA -0.188 4.153 4.340 0.001 0.000 0.232 206 R C 2.332 178.660 176.300 0.046 0.000 1.117 206 R CA 1.583 57.684 56.100 0.002 0.000 0.981 206 R CB -0.124 30.184 30.300 0.013 0.000 0.870 206 R HN 0.599 nan 8.270 nan 0.000 0.451 207 Q N -0.942 118.905 119.800 0.078 0.000 2.062 207 Q HA -0.194 4.146 4.340 0.001 0.000 0.196 207 Q C 1.711 177.802 176.000 0.150 0.000 0.967 207 Q CA 1.425 57.288 55.803 0.100 0.000 0.832 207 Q CB -0.052 28.749 28.738 0.105 0.000 0.899 207 Q HN 0.397 nan 8.270 nan 0.000 0.442 208 H N 0.925 120.055 119.070 0.101 0.000 2.289 208 H HA -0.175 4.382 4.556 0.001 0.000 0.294 208 H C 1.959 177.432 175.328 0.241 0.000 1.095 208 H CA 2.294 58.456 56.048 0.189 0.000 1.256 208 H CB -0.422 29.450 29.762 0.182 0.000 1.359 208 H HN 0.230 nan 8.280 nan 0.000 0.487 209 L N -0.745 120.552 121.223 0.124 0.000 2.043 209 L HA -0.192 4.148 4.340 0.001 0.000 0.212 209 L C 2.450 179.380 176.870 0.100 0.000 1.075 209 L CA 0.994 55.880 54.840 0.077 0.000 0.752 209 L CB -0.521 41.563 42.059 0.040 0.000 0.891 209 L HN 0.311 nan 8.230 nan 0.000 0.432 210 L N 0.017 121.286 121.223 0.076 0.000 2.109 210 L HA -0.104 4.237 4.340 0.001 0.000 0.207 210 L C 2.628 179.510 176.870 0.019 0.000 1.086 210 L CA 1.573 56.447 54.840 0.055 0.000 0.760 210 L CB -0.688 41.397 42.059 0.044 0.000 0.910 210 L HN 0.107 nan 8.230 nan 0.000 0.437 211 R N -2.010 118.474 120.500 -0.027 0.000 2.241 211 R HA -0.183 4.157 4.340 0.001 0.000 0.224 211 R C 1.099 177.218 176.300 -0.302 0.000 1.101 211 R CA 1.435 57.432 56.100 -0.171 0.000 0.995 211 R CB -0.341 29.824 30.300 -0.226 0.000 0.870 211 R HN 0.417 nan 8.270 nan 0.000 0.463 212 W N -0.145 121.088 121.300 -0.111 0.000 3.223 212 W HA 0.246 4.906 4.660 0.001 0.000 0.389 212 W C 0.885 177.379 176.519 -0.042 0.000 1.118 212 W CA 0.317 57.599 57.345 -0.105 0.000 1.902 212 W CB 0.727 30.074 29.460 -0.189 0.000 1.094 212 W HN 0.201 nan 8.180 nan 0.000 0.666 213 G N 0.967 109.843 108.800 0.127 0.000 2.143 213 G HA2 -0.309 3.651 3.960 0.001 0.000 0.248 213 G HA3 -0.309 3.651 3.960 0.001 0.000 0.248 213 G C -0.276 174.705 174.900 0.134 0.000 0.991 213 G CA -0.186 44.984 45.100 0.115 0.000 0.689 213 G HN 0.197 nan 8.290 nan 0.000 0.522 214 L N 1.903 123.207 121.223 0.136 0.000 2.294 214 L HA 0.536 4.877 4.340 0.001 0.000 0.283 214 L C 0.849 177.782 176.870 0.104 0.000 1.015 214 L CA -0.380 54.539 54.840 0.131 0.000 0.831 214 L CB 1.752 43.892 42.059 0.134 0.000 1.217 214 L HN 0.303 nan 8.230 nan 0.000 0.420 215 T N -0.934 113.681 114.554 0.102 0.000 2.817 215 T HA 0.453 4.804 4.350 0.001 0.000 0.293 215 T C 0.085 174.836 174.700 0.085 0.000 0.964 215 T CA -0.490 61.660 62.100 0.083 0.000 1.085 215 T CB 1.199 70.112 68.868 0.076 0.000 0.921 215 T HN 0.425 nan 8.240 nan 0.000 0.502 216 T N 5.311 119.907 114.554 0.070 0.000 2.840 216 T HA 0.482 4.832 4.350 0.001 0.000 0.287 216 T C -2.617 172.112 174.700 0.049 0.000 0.991 216 T CA -1.052 61.092 62.100 0.073 0.000 0.964 216 T CB 1.325 70.236 68.868 0.071 0.000 0.954 216 T HN 0.479 nan 8.240 nan 0.000 0.438 217 P HA 0.019 nan 4.420 nan 0.000 0.261 217 P C 0.525 177.805 177.300 -0.034 0.000 1.173 217 P CA 0.206 63.306 63.100 -0.000 0.000 0.760 217 P CB 0.557 32.247 31.700 -0.017 0.000 0.783 218 D N 3.110 123.495 120.400 -0.024 0.000 2.355 218 D HA -0.068 4.572 4.640 0.001 0.000 0.206 218 D C 0.619 176.896 176.300 -0.039 0.000 1.010 218 D CA 0.704 54.691 54.000 -0.022 0.000 0.875 218 D CB -0.086 40.713 40.800 -0.001 0.000 0.966 218 D HN 0.316 nan 8.370 nan 0.000 0.512 219 K N 0.783 121.153 120.400 -0.050 0.000 2.504 219 K HA 0.008 4.328 4.320 0.001 0.000 0.195 219 K C 0.179 176.718 176.600 -0.102 0.000 1.036 219 K CA 0.025 56.280 56.287 -0.053 0.000 0.984 219 K CB -0.164 32.314 32.500 -0.036 0.000 0.788 219 K HN -0.017 nan 8.250 nan 0.000 0.488 220 K N 2.240 122.524 120.400 -0.194 0.000 5.167 220 K HA -0.241 4.079 4.320 0.001 0.000 0.510 220 K C -0.051 176.335 176.600 -0.358 0.000 1.254 220 K CA 0.466 56.505 56.287 -0.414 0.000 1.209 220 K CB -0.835 31.543 32.500 -0.202 0.000 1.889 220 K HN 0.439 nan 8.250 nan 0.000 0.302 221 H N 0.925 119.990 119.070 -0.009 0.000 1.452 221 H HA -0.273 4.283 4.556 0.001 0.000 0.090 221 H C 0.459 175.740 175.328 -0.079 0.000 0.944 221 H CA 1.485 57.505 56.048 -0.046 0.000 1.901 221 H CB -0.356 29.366 29.762 -0.067 0.000 2.257 221 H HN 0.680 nan 8.280 nan 0.000 0.961 222 Q N 1.564 121.386 119.800 0.038 0.000 2.366 222 Q HA 0.128 4.469 4.340 0.001 0.000 0.356 222 Q C -0.354 175.558 176.000 -0.146 0.000 0.866 222 Q CA -0.124 55.651 55.803 -0.047 0.000 1.109 222 Q CB 0.456 29.181 28.738 -0.021 0.000 1.361 222 Q HN 0.564 nan 8.270 nan 0.000 0.404 223 K N -0.138 120.100 120.400 -0.270 0.000 2.046 223 K HA 0.108 4.429 4.320 0.001 0.000 0.248 223 K C 0.144 176.619 176.600 -0.208 0.000 1.123 223 K CA 0.377 56.335 56.287 -0.549 0.000 1.145 223 K CB 0.678 32.758 32.500 -0.700 0.000 1.028 223 K HN 0.109 nan 8.250 nan 0.000 0.354 224 E N 2.583 122.710 120.200 -0.121 0.000 3.029 224 E HA 0.160 4.510 4.350 0.001 0.000 0.249 224 E C -1.528 175.133 176.600 0.103 0.000 1.089 224 E CA -2.452 53.958 56.400 0.016 0.000 1.089 224 E CB 0.721 30.440 29.700 0.032 0.000 1.428 224 E HN 0.193 nan 8.360 nan 0.000 0.555 225 P HA -0.120 nan 4.420 nan 0.000 0.218 225 P C -2.157 175.316 177.300 0.288 0.000 1.152 225 P CA 1.410 64.688 63.100 0.297 0.000 0.857 225 P CB -1.092 30.804 31.700 0.327 0.000 0.787 226 P HA 0.088 nan 4.420 nan 0.000 0.256 226 P C -0.495 176.834 177.300 0.049 0.000 1.688 226 P CA -0.014 63.135 63.100 0.082 0.000 1.162 226 P CB -1.027 30.749 31.700 0.127 0.000 1.870 227 F N 2.598 122.571 119.950 0.037 0.000 2.427 227 F HA 0.263 4.790 4.527 0.001 0.000 0.352 227 F C 0.548 176.419 175.800 0.118 0.000 1.100 227 F CA -0.264 57.789 58.000 0.087 0.000 1.191 227 F CB 0.712 39.766 39.000 0.090 0.000 1.128 227 F HN 0.059 nan 8.300 nan 0.000 0.533 228 L N 5.997 127.412 121.223 0.320 0.000 2.276 228 L HA 0.298 4.638 4.340 0.001 0.000 0.286 228 L C -1.589 175.496 176.870 0.360 0.000 1.024 228 L CA -0.258 54.732 54.840 0.249 0.000 0.826 228 L CB 0.581 42.680 42.059 0.066 0.000 1.211 228 L HN 0.646 nan 8.230 nan 0.000 0.422 229 W N 6.990 128.410 121.300 0.199 0.000 2.538 229 W HA 0.441 5.101 4.660 0.000 0.000 0.322 229 W C 0.126 176.688 176.519 0.072 0.000 1.028 229 W CA -1.221 56.237 57.345 0.189 0.000 1.228 229 W CB 1.204 30.857 29.460 0.322 0.000 1.356 229 W HN 0.496 nan 8.180 nan 0.000 0.452 230 M N 5.710 124.994 119.600 -0.527 0.000 2.503 230 M HA -0.259 4.221 4.480 0.001 0.000 0.199 230 M C 1.268 177.145 176.300 -0.706 0.000 0.466 230 M CA 1.863 56.688 55.300 -0.792 0.000 0.510 230 M CB -1.339 30.398 32.600 -1.438 0.000 1.858 230 M HN 1.282 nan 8.290 nan 0.000 0.799 231 G N -0.780 107.770 108.800 -0.416 0.000 2.179 231 G HA2 -0.298 3.662 3.960 0.001 0.000 0.257 231 G HA3 -0.298 3.662 3.960 0.001 0.000 0.257 231 G C -0.462 174.373 174.900 -0.108 0.000 1.010 231 G CA 0.761 45.662 45.100 -0.332 0.000 0.736 231 G HN 0.623 nan 8.290 nan 0.000 0.513 232 Y N -0.189 120.199 120.300 0.146 0.000 2.496 232 Y HA 0.636 5.186 4.550 0.001 0.000 0.331 232 Y C 0.705 176.747 175.900 0.238 0.000 1.140 232 Y CA -1.697 56.528 58.100 0.209 0.000 1.166 232 Y CB 1.160 39.709 38.460 0.149 0.000 1.249 232 Y HN 0.141 nan 8.280 nan 0.000 0.479 233 E N 2.567 123.023 120.200 0.426 0.000 2.102 233 E HA 0.369 4.720 4.350 0.001 0.000 0.263 233 E C -1.362 175.326 176.600 0.147 0.000 0.894 233 E CA -0.359 56.179 56.400 0.229 0.000 0.746 233 E CB 0.893 30.698 29.700 0.175 0.000 1.129 233 E HN 0.457 nan 8.360 nan 0.000 0.416 234 L N 3.953 125.283 121.223 0.179 0.000 2.265 234 L HA 0.382 4.722 4.340 0.001 0.000 0.288 234 L C -0.229 176.666 176.870 0.042 0.000 1.058 234 L CA -0.413 54.602 54.840 0.291 0.000 0.809 234 L CB 0.286 42.612 42.059 0.445 0.000 1.179 234 L HN 0.477 nan 8.230 nan 0.000 0.429 235 H N 3.052 122.364 119.070 0.404 0.000 2.622 235 H HA 0.267 4.824 4.556 0.001 0.000 0.363 235 H C -1.658 173.873 175.328 0.338 0.000 1.151 235 H CA -1.726 54.493 56.048 0.286 0.000 1.184 235 H CB 1.411 31.280 29.762 0.178 0.000 1.643 235 H HN 0.341 nan 8.280 nan 0.000 0.531 236 P HA -0.250 nan 4.420 nan 0.000 0.218 236 P C 0.539 178.043 177.300 0.339 0.000 1.147 236 P CA 1.772 65.021 63.100 0.247 0.000 0.827 236 P CB 0.407 32.195 31.700 0.146 0.000 0.778 237 D N -2.975 117.632 120.400 0.344 0.000 2.520 237 D HA 0.104 4.744 4.640 0.001 0.000 0.223 237 D C 0.329 176.720 176.300 0.151 0.000 1.186 237 D CA 0.053 54.215 54.000 0.269 0.000 0.821 237 D CB 0.666 41.544 40.800 0.129 0.000 1.072 237 D HN 0.109 nan 8.370 nan 0.000 0.518 238 K N 0.094 120.574 120.400 0.133 0.000 2.642 238 K HA 0.295 4.615 4.320 0.001 0.000 0.290 238 K C -1.286 175.295 176.600 -0.033 0.000 1.006 238 K CA -0.861 55.322 56.287 -0.174 0.000 0.869 238 K CB 2.069 34.451 32.500 -0.197 0.000 1.499 238 K HN 0.099 nan 8.250 nan 0.000 0.403 239 W N 0.096 121.280 121.300 -0.194 0.000 2.781 239 W HA 0.729 5.389 4.660 0.000 0.000 0.345 239 W C -1.188 175.398 176.519 0.111 0.000 1.085 239 W CA -0.855 56.482 57.345 -0.014 0.000 1.198 239 W CB 1.297 30.693 29.460 -0.107 0.000 1.423 239 W HN 0.346 nan 8.180 nan 0.000 0.532 240 T N 1.320 116.119 114.554 0.409 0.000 2.916 240 T HA 0.361 4.711 4.350 0.001 0.000 0.305 240 T C -0.967 174.009 174.700 0.461 0.000 1.119 240 T CA -0.514 61.787 62.100 0.336 0.000 1.008 240 T CB 2.449 71.528 68.868 0.351 0.000 1.129 240 T HN 0.289 nan 8.240 nan 0.000 0.480 241 V N 3.863 124.012 119.914 0.392 0.000 2.383 241 V HA 0.252 4.372 4.120 0.001 0.000 0.275 241 V C 0.593 176.872 176.094 0.308 0.000 1.036 241 V CA -0.869 61.669 62.300 0.397 0.000 0.889 241 V CB 1.206 33.233 31.823 0.339 0.000 0.985 241 V HN 0.935 nan 8.190 nan 0.000 0.459 242 Q N 5.885 125.857 119.800 0.287 0.000 2.317 242 Q HA 0.113 4.454 4.340 0.001 0.000 0.286 242 Q C -2.302 173.834 176.000 0.227 0.000 1.198 242 Q CA -1.345 54.585 55.803 0.212 0.000 0.973 242 Q CB -0.605 28.221 28.738 0.147 0.000 1.207 242 Q HN 0.428 nan 8.270 nan 0.000 0.416 243 P HA -0.102 nan 4.420 nan 0.000 0.259 243 P C -0.720 176.673 177.300 0.154 0.000 1.163 243 P CA 0.386 63.604 63.100 0.197 0.000 0.760 243 P CB 0.258 32.029 31.700 0.118 0.000 0.762 244 I N 3.957 124.627 120.570 0.167 0.000 2.441 244 I HA 0.052 4.222 4.170 0.001 0.000 0.287 244 I C 0.258 176.407 176.117 0.052 0.000 1.049 244 I CA -0.044 61.327 61.300 0.118 0.000 1.381 244 I CB 0.762 38.865 38.000 0.173 0.000 1.409 244 I HN 0.063 nan 8.210 nan 0.000 0.523 245 V N 7.437 127.378 119.914 0.044 0.000 2.370 245 V HA 0.344 4.464 4.120 0.001 0.000 0.279 245 V C 0.080 176.201 176.094 0.046 0.000 1.029 245 V CA -0.714 61.606 62.300 0.034 0.000 0.870 245 V CB 1.157 32.997 31.823 0.029 0.000 0.984 245 V HN 0.413 nan 8.190 nan 0.000 0.451 246 L N 7.779 129.033 121.223 0.051 0.000 2.314 246 L HA 0.377 4.717 4.340 0.001 0.000 0.275 246 L C -1.994 174.948 176.870 0.120 0.000 1.068 246 L CA -1.542 53.349 54.840 0.086 0.000 0.894 246 L CB 1.133 43.234 42.059 0.069 0.000 1.275 246 L HN 0.443 nan 8.230 nan 0.000 0.432 247 P HA -0.023 nan 4.420 nan 0.000 0.268 247 P C -0.596 176.774 177.300 0.117 0.000 1.205 247 P CA -0.071 63.085 63.100 0.093 0.000 0.771 247 P CB 0.991 32.735 31.700 0.072 0.000 0.858 248 E N 2.929 123.138 120.200 0.016 0.000 2.115 248 E HA 0.248 4.598 4.350 0.001 0.000 0.282 248 E C -0.797 175.645 176.600 -0.264 0.000 0.987 248 E CA -0.584 55.791 56.400 -0.042 0.000 0.797 248 E CB 0.417 30.116 29.700 -0.003 0.000 1.086 248 E HN 0.278 nan 8.360 nan 0.000 0.397 249 K N 3.214 123.226 120.400 -0.647 0.000 2.502 249 K HA 0.220 4.540 4.320 0.001 0.000 0.257 249 K C -0.449 175.502 176.600 -1.081 0.000 0.938 249 K CA -0.817 55.002 56.287 -0.780 0.000 0.819 249 K CB 1.632 33.635 32.500 -0.829 0.000 1.333 249 K HN 0.279 nan 8.250 nan 0.000 0.434 250 D N 0.233 120.267 120.400 -0.611 0.000 2.369 250 D HA 0.039 4.680 4.640 0.001 0.000 0.211 250 D C -0.179 175.938 176.300 -0.305 0.000 1.077 250 D CA 0.377 54.105 54.000 -0.452 0.000 0.842 250 D CB 0.499 41.183 40.800 -0.194 0.000 0.947 250 D HN 0.381 nan 8.370 nan 0.000 0.509 251 S N 0.355 115.855 115.700 -0.333 0.000 3.120 251 S HA -0.016 4.455 4.470 0.001 0.000 0.259 251 S C 0.309 174.889 174.600 -0.033 0.000 1.191 251 S CA -0.309 57.797 58.200 -0.156 0.000 1.257 251 S CB -1.109 62.007 63.200 -0.140 0.000 0.964 251 S HN 0.310 nan 8.310 nan 0.000 0.473 252 W N 3.765 125.056 121.300 -0.014 0.000 1.319 252 W HA 0.038 4.698 4.660 0.001 0.000 0.506 252 W C 1.102 177.613 176.519 -0.015 0.000 0.626 252 W CA -0.950 56.387 57.345 -0.013 0.000 2.268 252 W CB -0.643 28.810 29.460 -0.012 0.000 1.536 252 W HN 0.262 nan 8.180 nan 0.000 0.199 253 T N -2.805 111.894 114.554 0.241 0.000 2.908 253 T HA -0.113 4.238 4.350 0.001 0.000 0.325 253 T C 1.161 175.926 174.700 0.109 0.000 1.092 253 T CA -0.610 61.568 62.100 0.128 0.000 1.125 253 T CB 1.421 70.344 68.868 0.091 0.000 1.016 253 T HN 0.084 nan 8.240 nan 0.000 0.550 254 V N 2.012 121.960 119.914 0.056 0.000 2.453 254 V HA -0.215 3.906 4.120 0.001 0.000 0.252 254 V C 2.858 178.969 176.094 0.029 0.000 1.068 254 V CA 2.157 64.475 62.300 0.030 0.000 1.070 254 V CB -1.179 30.655 31.823 0.019 0.000 0.664 254 V HN 0.962 nan 8.190 nan 0.000 0.461 255 N N 0.327 119.058 118.700 0.051 0.000 2.047 255 N HA -0.185 4.555 4.740 0.001 0.000 0.193 255 N C 1.629 177.166 175.510 0.044 0.000 1.055 255 N CA 1.805 54.884 53.050 0.049 0.000 0.847 255 N CB -0.262 38.263 38.487 0.064 0.000 1.038 255 N HN 0.395 nan 8.380 nan 0.000 0.427 256 D N 1.035 121.495 120.400 0.100 0.000 2.191 256 D HA -0.186 4.454 4.640 0.001 0.000 0.195 256 D C 2.017 178.323 176.300 0.010 0.000 1.003 256 D CA 0.842 54.938 54.000 0.161 0.000 0.867 256 D CB -0.216 40.813 40.800 0.382 0.000 0.926 256 D HN 0.441 nan 8.370 nan 0.000 0.450 257 I N 0.203 120.722 120.570 -0.086 0.000 2.333 257 I HA -0.217 3.954 4.170 0.001 0.000 0.246 257 I C 2.586 178.594 176.117 -0.182 0.000 1.106 257 I CA 0.620 61.741 61.300 -0.299 0.000 1.411 257 I CB -0.206 37.628 38.000 -0.277 0.000 1.082 257 I HN -0.042 nan 8.210 nan 0.000 0.420 258 Q N 1.129 120.877 119.800 -0.087 0.000 2.248 258 Q HA -0.234 4.107 4.340 0.001 0.000 0.208 258 Q C 1.954 177.922 176.000 -0.053 0.000 0.984 258 Q CA 1.553 57.323 55.803 -0.054 0.000 0.875 258 Q CB 0.145 28.874 28.738 -0.016 0.000 0.910 258 Q HN 0.392 nan 8.270 nan 0.000 0.433 259 K N -0.401 119.967 120.400 -0.052 0.000 2.305 259 K HA -0.077 4.243 4.320 0.001 0.000 0.199 259 K C 1.814 178.376 176.600 -0.063 0.000 1.047 259 K CA 0.293 56.553 56.287 -0.044 0.000 0.976 259 K CB 0.116 32.605 32.500 -0.019 0.000 0.765 259 K HN 0.165 nan 8.250 nan 0.000 0.474 260 L N 1.080 122.233 121.223 -0.117 0.000 2.109 260 L HA -0.116 4.224 4.340 0.001 0.000 0.207 260 L C 2.039 178.854 176.870 -0.092 0.000 1.086 260 L CA 1.211 55.966 54.840 -0.142 0.000 0.760 260 L CB -0.315 41.556 42.059 -0.312 0.000 0.910 260 L HN -0.017 nan 8.230 nan 0.000 0.437 261 V N -2.343 117.517 119.914 -0.090 0.000 2.407 261 V HA -0.063 4.057 4.120 0.001 0.000 0.248 261 V C 2.375 178.464 176.094 -0.009 0.000 1.055 261 V CA 1.665 63.935 62.300 -0.051 0.000 1.049 261 V CB -2.184 29.608 31.823 -0.051 0.000 0.662 261 V HN 0.407 nan 8.190 nan 0.000 0.455 262 G N -0.005 108.788 108.800 -0.010 0.000 2.421 262 G HA2 -0.295 3.665 3.960 0.001 0.000 0.216 262 G HA3 -0.295 3.665 3.960 0.001 0.000 0.216 262 G C 1.657 176.596 174.900 0.065 0.000 1.171 262 G CA 1.075 46.185 45.100 0.018 0.000 0.775 262 G HN 0.573 nan 8.290 nan 0.000 0.543 263 K N -0.260 120.163 120.400 0.038 0.000 2.097 263 K HA 0.145 4.465 4.320 0.001 0.000 0.205 263 K C 2.525 179.238 176.600 0.187 0.000 1.050 263 K CA 0.541 56.873 56.287 0.075 0.000 0.938 263 K CB -0.208 32.299 32.500 0.011 0.000 0.718 263 K HN 0.318 nan 8.250 nan 0.000 0.442 264 L N 1.515 122.804 121.223 0.110 0.000 2.027 264 L HA -0.194 4.146 4.340 0.001 0.000 0.206 264 L C 1.969 178.914 176.870 0.125 0.000 1.074 264 L CA 1.348 56.252 54.840 0.107 0.000 0.745 264 L CB -0.659 41.420 42.059 0.034 0.000 0.898 264 L HN 0.357 nan 8.230 nan 0.000 0.433 265 N N -0.976 117.786 118.700 0.104 0.000 2.457 265 N HA -0.236 4.504 4.740 0.001 0.000 0.180 265 N C 1.519 177.092 175.510 0.106 0.000 1.050 265 N CA 0.513 53.610 53.050 0.078 0.000 0.906 265 N CB -0.806 37.707 38.487 0.043 0.000 0.968 265 N HN 0.490 nan 8.380 nan 0.000 0.445 266 W N 1.248 122.548 121.300 -0.001 0.000 2.388 266 W HA 0.174 4.835 4.660 0.001 0.000 0.294 266 W C 2.074 178.597 176.519 0.007 0.000 1.212 266 W CA 1.994 59.332 57.345 -0.012 0.000 1.271 266 W CB -0.167 29.270 29.460 -0.037 0.000 1.126 266 W HN 0.136 nan 8.180 nan 0.000 0.535 267 A N 0.123 123.036 122.820 0.155 0.000 2.016 267 A HA -0.123 4.197 4.320 0.001 0.000 0.217 267 A C 2.036 179.598 177.584 -0.035 0.000 1.162 267 A CA 1.767 53.820 52.037 0.027 0.000 0.662 267 A CB -1.357 17.863 19.000 0.367 0.000 0.812 267 A HN 0.359 nan 8.150 nan 0.000 0.450 268 S N -0.152 115.544 115.700 -0.007 0.000 2.469 268 S HA -0.180 4.291 4.470 0.001 0.000 0.238 268 S C 1.563 176.127 174.600 -0.060 0.000 0.998 268 S CA 1.172 59.377 58.200 0.008 0.000 0.957 268 S CB -0.374 62.834 63.200 0.014 0.000 0.764 268 S HN 0.638 nan 8.310 nan 0.000 0.514 269 Q N 0.133 119.824 119.800 -0.183 0.000 2.331 269 Q HA 0.193 4.533 4.340 0.001 0.000 0.203 269 Q C 1.569 177.464 176.000 -0.175 0.000 0.944 269 Q CA 0.713 56.399 55.803 -0.195 0.000 0.892 269 Q CB -0.244 28.331 28.738 -0.272 0.000 0.983 269 Q HN 0.616 nan 8.270 nan 0.000 0.482 270 I N -1.624 118.782 120.570 -0.272 0.000 3.039 270 I HA -0.046 4.124 4.170 0.001 0.000 0.270 270 I C 0.131 176.085 176.117 -0.272 0.000 1.150 270 I CA 0.453 61.579 61.300 -0.290 0.000 1.448 270 I CB 0.152 37.854 38.000 -0.498 0.000 1.197 270 I HN -0.088 nan 8.210 nan 0.000 0.450 271 Y N 3.317 123.599 120.300 -0.030 0.000 2.335 271 Y HA 0.404 4.954 4.550 0.000 0.000 0.339 271 Y C -2.190 173.717 175.900 0.011 0.000 0.987 271 Y CA -3.355 54.750 58.100 0.008 0.000 1.140 271 Y CB 0.345 38.813 38.460 0.013 0.000 1.173 271 Y HN -0.056 nan 8.280 nan 0.000 0.486 272 P HA 0.260 nan 4.420 nan 0.000 0.281 272 P C 0.549 177.920 177.300 0.119 0.000 1.286 272 P CA 0.283 63.462 63.100 0.133 0.000 0.772 272 P CB 1.249 33.023 31.700 0.124 0.000 0.862 273 G N 3.007 111.862 108.800 0.092 0.000 2.273 273 G HA2 -0.156 3.805 3.960 0.001 0.000 0.162 273 G HA3 -0.156 3.805 3.960 0.001 0.000 0.162 273 G C -0.144 174.782 174.900 0.043 0.000 1.006 273 G CA -0.585 44.553 45.100 0.063 0.000 0.704 273 G HN 0.410 nan 8.290 nan 0.000 0.487 274 I N 2.627 123.229 120.570 0.052 0.000 2.598 274 I HA 0.311 4.482 4.170 0.001 0.000 0.284 274 I C 0.192 176.324 176.117 0.025 0.000 1.140 274 I CA 0.030 61.351 61.300 0.034 0.000 1.420 274 I CB 0.836 38.866 38.000 0.050 0.000 1.387 274 I HN -0.065 nan 8.210 nan 0.000 0.553 275 K N 6.769 127.176 120.400 0.012 0.000 2.323 275 K HA 0.508 4.828 4.320 0.001 0.000 0.259 275 K C 0.260 176.858 176.600 -0.004 0.000 0.947 275 K CA -0.478 55.812 56.287 0.006 0.000 0.819 275 K CB 2.328 34.830 32.500 0.003 0.000 1.109 275 K HN 0.432 nan 8.250 nan 0.000 0.429 276 V N -0.826 119.084 119.914 -0.006 0.000 3.411 276 V HA 0.088 4.208 4.120 0.001 0.000 0.287 276 V C 0.959 177.042 176.094 -0.020 0.000 1.543 276 V CA -0.274 62.015 62.300 -0.018 0.000 1.028 276 V CB -0.196 31.617 31.823 -0.015 0.000 0.840 276 V HN 0.687 nan 8.190 nan 0.000 0.435 277 R N 0.917 121.410 120.500 -0.012 0.000 2.389 277 R HA 0.156 4.497 4.340 0.001 0.000 0.210 277 R C 1.399 177.691 176.300 -0.013 0.000 1.157 277 R CA 0.957 57.050 56.100 -0.011 0.000 1.169 277 R CB -0.294 30.003 30.300 -0.005 0.000 1.004 277 R HN 0.620 nan 8.270 nan 0.000 0.482 278 Q N 1.384 121.173 119.800 -0.019 0.000 2.619 278 Q HA 0.098 4.438 4.340 0.001 0.000 0.195 278 Q C 1.848 177.831 176.000 -0.028 0.000 0.910 278 Q CA 0.355 56.146 55.803 -0.020 0.000 0.862 278 Q CB -0.112 28.615 28.738 -0.019 0.000 1.123 278 Q HN 0.407 nan 8.270 nan 0.000 0.636 279 L N -0.175 121.023 121.223 -0.042 0.000 2.549 279 L HA 0.034 4.375 4.340 0.001 0.000 0.230 279 L C 1.666 178.501 176.870 -0.059 0.000 1.162 279 L CA 0.799 55.604 54.840 -0.058 0.000 0.834 279 L CB -0.776 41.227 42.059 -0.092 0.000 0.947 279 L HN 0.284 nan 8.230 nan 0.000 0.452 280 C N 0.737 120.009 119.300 -0.046 0.000 2.403 280 C HA -0.130 4.330 4.460 0.001 0.000 0.277 280 C C 2.757 177.729 174.990 -0.029 0.000 1.248 280 C CA 0.722 59.717 59.018 -0.038 0.000 1.762 280 C CB -0.862 26.862 27.740 -0.026 0.000 2.014 280 C HN 0.562 nan 8.230 nan 0.000 0.486 281 K N 0.936 121.322 120.400 -0.024 0.000 2.281 281 K HA -0.007 4.313 4.320 0.001 0.000 0.203 281 K C 1.123 177.712 176.600 -0.018 0.000 1.046 281 K CA 0.798 57.075 56.287 -0.016 0.000 0.938 281 K CB -0.545 31.947 32.500 -0.013 0.000 0.737 281 K HN 0.583 nan 8.250 nan 0.000 0.458 282 L N 1.586 122.792 121.223 -0.028 0.000 3.163 282 L HA -0.058 4.282 4.340 0.001 0.000 0.261 282 L C 1.051 177.906 176.870 -0.025 0.000 1.313 282 L CA 0.112 54.935 54.840 -0.028 0.000 1.111 282 L CB -0.378 41.653 42.059 -0.046 0.000 1.511 282 L HN 0.082 nan 8.230 nan 0.000 0.419 283 L N -0.676 120.537 121.223 -0.016 0.000 3.329 283 L HA 0.448 4.789 4.340 0.001 0.000 0.222 283 L C -0.609 176.261 176.870 0.001 0.000 1.876 283 L CA -0.294 54.541 54.840 -0.008 0.000 1.997 283 L CB 0.507 42.559 42.059 -0.011 0.000 1.937 283 L HN 0.168 nan 8.230 nan 0.000 0.576 284 R N 0.571 121.074 120.500 0.006 0.000 1.884 284 R HA 0.038 4.379 4.340 0.001 0.000 0.377 284 R C 0.238 176.548 176.300 0.017 0.000 1.211 284 R CA 1.179 57.285 56.100 0.011 0.000 1.026 284 R CB -2.337 27.967 30.300 0.006 0.000 3.052 284 R HN 1.325 nan 8.270 nan 0.000 0.489 285 G N 0.759 109.575 108.800 0.027 0.000 2.601 285 G HA2 -0.165 3.795 3.960 0.001 0.000 0.224 285 G HA3 -0.165 3.795 3.960 0.001 0.000 0.224 285 G C -0.788 174.140 174.900 0.046 0.000 1.171 285 G CA 0.499 45.620 45.100 0.035 0.000 1.009 285 G HN 1.651 nan 8.290 nan 0.000 0.589 286 T N -1.969 112.614 114.554 0.047 0.000 3.031 286 T HA 0.730 5.081 4.350 0.001 0.000 0.305 286 T C -0.750 173.972 174.700 0.038 0.000 0.985 286 T CA -0.443 61.694 62.100 0.061 0.000 1.008 286 T CB 1.754 70.676 68.868 0.090 0.000 1.005 286 T HN 0.773 nan 8.240 nan 0.000 0.444 287 K N 2.504 122.919 120.400 0.025 0.000 3.146 287 K HA 0.628 4.949 4.320 0.001 0.000 0.168 287 K C 0.015 176.593 176.600 -0.037 0.000 1.075 287 K CA -0.759 55.519 56.287 -0.014 0.000 0.843 287 K CB 1.076 33.566 32.500 -0.017 0.000 1.002 287 K HN 1.149 nan 8.250 nan 0.000 0.597 288 A N 2.001 124.796 122.820 -0.041 0.000 1.565 288 A HA -0.155 4.165 4.320 0.001 0.000 0.204 288 A C 0.485 178.011 177.584 -0.096 0.000 1.246 288 A CA 0.424 52.375 52.037 -0.143 0.000 0.672 288 A CB -1.553 17.279 19.000 -0.280 0.000 1.156 288 A HN 0.855 nan 8.150 nan 0.000 0.201 289 L N 1.035 122.266 121.223 0.014 0.000 2.873 289 L HA 0.350 4.691 4.340 0.001 0.000 0.252 289 L C 0.746 177.626 176.870 0.017 0.000 1.266 289 L CA 0.760 55.631 54.840 0.052 0.000 1.111 289 L CB -0.800 41.334 42.059 0.125 0.000 1.440 289 L HN 0.546 nan 8.230 nan 0.000 0.427 290 T N -2.848 111.656 114.554 -0.084 0.000 3.080 290 T HA 0.069 4.419 4.350 0.001 0.000 0.280 290 T C 0.473 175.131 174.700 -0.069 0.000 0.926 290 T CA -0.286 61.771 62.100 -0.071 0.000 0.883 290 T CB 0.498 69.284 68.868 -0.137 0.000 1.194 290 T HN 0.405 nan 8.240 nan 0.000 0.541 291 E N 3.271 123.420 120.200 -0.086 0.000 1.858 291 E HA 0.257 4.608 4.350 0.001 0.000 0.267 291 E C -0.274 176.315 176.600 -0.020 0.000 1.215 291 E CA -0.254 56.104 56.400 -0.070 0.000 0.952 291 E CB 0.066 29.711 29.700 -0.091 0.000 1.058 291 E HN 0.110 nan 8.360 nan 0.000 0.407 292 V N 6.050 125.961 119.914 -0.004 0.000 2.742 292 V HA -0.180 3.941 4.120 0.001 0.000 0.302 292 V C 0.622 176.740 176.094 0.040 0.000 1.133 292 V CA 1.033 63.352 62.300 0.031 0.000 1.284 292 V CB -0.320 31.512 31.823 0.014 0.000 0.850 292 V HN 0.610 nan 8.190 nan 0.000 0.494 293 I N 7.882 128.503 120.570 0.084 0.000 2.406 293 I HA 0.557 4.728 4.170 0.001 0.000 0.290 293 I C -2.108 174.077 176.117 0.112 0.000 0.999 293 I CA -2.497 58.847 61.300 0.073 0.000 1.124 293 I CB 2.506 40.535 38.000 0.048 0.000 1.289 293 I HN 0.497 nan 8.210 nan 0.000 0.441 294 P HA 0.204 nan 4.420 nan 0.000 0.280 294 P C -0.906 176.449 177.300 0.092 0.000 1.244 294 P CA -0.289 62.859 63.100 0.081 0.000 0.784 294 P CB 1.005 32.731 31.700 0.043 0.000 0.913 295 L N 2.753 124.053 121.223 0.128 0.000 2.462 295 L HA 0.104 4.444 4.340 0.001 0.000 0.272 295 L C 1.818 178.723 176.870 0.059 0.000 1.166 295 L CA 0.086 54.993 54.840 0.113 0.000 0.880 295 L CB -0.140 42.016 42.059 0.162 0.000 1.142 295 L HN 0.512 nan 8.230 nan 0.000 0.473 296 T N -1.324 113.252 114.554 0.035 0.000 2.770 296 T HA 0.081 4.431 4.350 0.001 0.000 0.281 296 T C 0.865 175.577 174.700 0.020 0.000 0.981 296 T CA -0.492 61.621 62.100 0.021 0.000 0.955 296 T CB 1.178 70.052 68.868 0.009 0.000 1.060 296 T HN 0.726 nan 8.240 nan 0.000 0.531 297 E N -0.421 119.787 120.200 0.013 0.000 2.285 297 E HA -0.087 4.263 4.350 0.001 0.000 0.194 297 E C 1.784 178.389 176.600 0.008 0.000 0.997 297 E CA 0.612 57.019 56.400 0.011 0.000 0.845 297 E CB 0.077 29.782 29.700 0.008 0.000 0.782 297 E HN 0.790 nan 8.360 nan 0.000 0.491 298 E N -0.109 120.094 120.200 0.004 0.000 2.122 298 E HA -0.047 4.304 4.350 0.001 0.000 0.190 298 E C 1.806 178.404 176.600 -0.004 0.000 0.977 298 E CA 0.789 57.188 56.400 -0.001 0.000 0.820 298 E CB 0.143 29.841 29.700 -0.003 0.000 0.770 298 E HN 0.228 nan 8.360 nan 0.000 0.462 299 A N 1.198 124.015 122.820 -0.006 0.000 1.924 299 A HA -0.067 4.253 4.320 0.001 0.000 0.211 299 A C 1.950 179.531 177.584 -0.005 0.000 1.198 299 A CA 0.513 52.541 52.037 -0.016 0.000 0.657 299 A CB -0.114 18.866 19.000 -0.034 0.000 0.852 299 A HN 0.129 nan 8.150 nan 0.000 0.454 300 E N -0.492 119.717 120.200 0.015 0.000 2.409 300 E HA -0.136 4.214 4.350 0.001 0.000 0.198 300 E C 1.635 178.252 176.600 0.028 0.000 1.024 300 E CA 0.619 57.042 56.400 0.038 0.000 0.861 300 E CB -0.052 29.682 29.700 0.057 0.000 0.788 300 E HN 0.419 nan 8.360 nan 0.000 0.521 301 L N 1.549 122.781 121.223 0.015 0.000 2.022 301 L HA -0.133 4.208 4.340 0.001 0.000 0.204 301 L C 2.279 179.153 176.870 0.006 0.000 1.076 301 L CA 2.320 57.166 54.840 0.010 0.000 0.749 301 L CB -0.723 41.339 42.059 0.005 0.000 0.903 301 L HN 0.206 nan 8.230 nan 0.000 0.439 302 E N -0.388 119.812 120.200 0.000 0.000 2.031 302 E HA -0.300 4.050 4.350 0.001 0.000 0.193 302 E C 2.328 178.925 176.600 -0.005 0.000 0.994 302 E CA 1.912 58.310 56.400 -0.005 0.000 0.800 302 E CB -1.133 28.561 29.700 -0.009 0.000 0.752 302 E HN 0.486 nan 8.360 nan 0.000 0.447 303 L N 0.558 121.777 121.223 -0.007 0.000 2.137 303 L HA -0.248 4.093 4.340 0.001 0.000 0.213 303 L C 2.530 179.409 176.870 0.014 0.000 1.085 303 L CA 1.607 56.445 54.840 -0.004 0.000 0.760 303 L CB -0.350 41.706 42.059 -0.004 0.000 0.893 303 L HN 0.392 nan 8.230 nan 0.000 0.434 304 A N -0.993 121.838 122.820 0.019 0.000 1.930 304 A HA -0.236 4.084 4.320 0.001 0.000 0.217 304 A C 2.235 179.822 177.584 0.005 0.000 1.175 304 A CA 1.629 53.678 52.037 0.020 0.000 0.627 304 A CB -0.472 18.540 19.000 0.020 0.000 0.815 304 A HN 0.573 nan 8.150 nan 0.000 0.443 305 E N -0.180 120.019 120.200 -0.001 0.000 2.216 305 E HA -0.117 4.233 4.350 0.001 0.000 0.192 305 E C 1.683 178.271 176.600 -0.020 0.000 0.988 305 E CA 0.636 57.030 56.400 -0.010 0.000 0.834 305 E CB -0.172 29.523 29.700 -0.008 0.000 0.772 305 E HN 0.767 nan 8.360 nan 0.000 0.479 306 N N 0.322 119.011 118.700 -0.019 0.000 2.043 306 N HA -0.154 4.587 4.740 0.001 0.000 0.193 306 N C 1.872 177.351 175.510 -0.052 0.000 1.037 306 N CA 0.840 53.870 53.050 -0.033 0.000 0.851 306 N CB -0.022 38.453 38.487 -0.021 0.000 1.027 306 N HN 0.033 nan 8.380 nan 0.000 0.422 307 R N 0.693 121.176 120.500 -0.029 0.000 2.185 307 R HA -0.190 4.150 4.340 0.001 0.000 0.247 307 R C 1.862 178.129 176.300 -0.054 0.000 1.159 307 R CA 1.112 57.193 56.100 -0.031 0.000 0.988 307 R CB -0.107 30.192 30.300 -0.001 0.000 0.871 307 R HN 0.289 nan 8.270 nan 0.000 0.458 308 E N 0.759 120.929 120.200 -0.049 0.000 2.072 308 E HA -0.095 4.255 4.350 0.001 0.000 0.190 308 E C 1.720 178.272 176.600 -0.081 0.000 0.982 308 E CA 1.070 57.440 56.400 -0.050 0.000 0.803 308 E CB 0.033 29.715 29.700 -0.031 0.000 0.755 308 E HN 0.298 nan 8.360 nan 0.000 0.453 309 I N 0.150 120.653 120.570 -0.112 0.000 2.286 309 I HA -0.183 3.987 4.170 0.001 0.000 0.245 309 I C 2.078 177.969 176.117 -0.376 0.000 1.104 309 I CA 0.745 61.947 61.300 -0.164 0.000 1.397 309 I CB -0.395 37.528 38.000 -0.128 0.000 1.072 309 I HN 0.088 nan 8.210 nan 0.000 0.417 310 L N 1.026 121.977 121.223 -0.454 0.000 2.362 310 L HA -0.151 4.189 4.340 0.001 0.000 0.219 310 L C 2.544 179.242 176.870 -0.286 0.000 1.134 310 L CA 0.860 55.325 54.840 -0.624 0.000 0.807 310 L CB -0.728 41.126 42.059 -0.342 0.000 0.927 310 L HN 0.277 nan 8.230 nan 0.000 0.447 311 K N 1.344 121.646 120.400 -0.163 0.000 2.052 311 K HA -0.194 4.127 4.320 0.001 0.000 0.215 311 K C 0.348 176.929 176.600 -0.032 0.000 1.053 311 K CA 1.529 57.774 56.287 -0.069 0.000 0.934 311 K CB 0.047 32.517 32.500 -0.050 0.000 0.717 311 K HN 0.355 nan 8.250 nan 0.000 0.450 312 E N 2.077 122.261 120.200 -0.026 0.000 2.109 312 E HA 0.203 4.554 4.350 0.001 0.000 0.278 312 E C -2.326 174.332 176.600 0.097 0.000 0.954 312 E CA -2.323 54.092 56.400 0.025 0.000 0.779 312 E CB 1.416 31.126 29.700 0.018 0.000 1.093 312 E HN 0.293 nan 8.360 nan 0.000 0.401 313 P HA -0.064 nan 4.420 nan 0.000 0.269 313 P C -0.460 176.812 177.300 -0.047 0.000 1.211 313 P CA 0.050 63.202 63.100 0.086 0.000 0.781 313 P CB 0.749 32.456 31.700 0.012 0.000 0.877 314 V N 2.803 122.672 119.914 -0.076 0.000 2.823 314 V HA 0.499 4.619 4.120 0.001 0.000 0.312 314 V C -0.188 175.701 176.094 -0.341 0.000 1.072 314 V CA -0.323 61.834 62.300 -0.239 0.000 0.937 314 V CB 1.749 33.476 31.823 -0.160 0.000 1.013 314 V HN 0.939 nan 8.190 nan 0.000 0.430 315 H N 0.989 119.855 119.070 -0.340 0.000 2.948 315 H HA 0.945 5.502 4.556 0.001 0.000 0.315 315 H C -0.273 174.394 175.328 -1.102 0.000 1.360 315 H CA -0.610 54.905 56.048 -0.888 0.000 1.125 315 H CB 1.505 30.950 29.762 -0.528 0.000 1.844 315 H HN 0.992 nan 8.280 nan 0.000 0.529 316 G N -0.782 107.093 108.800 -1.542 0.000 2.489 316 G HA2 0.477 4.437 3.960 0.001 0.000 0.305 316 G HA3 0.477 4.437 3.960 0.001 0.000 0.305 316 G C -1.430 172.992 174.900 -0.796 0.000 1.311 316 G CA -0.272 44.324 45.100 -0.839 0.000 0.813 316 G HN 0.553 nan 8.290 nan 0.000 0.480 317 V N -0.656 119.167 119.914 -0.152 0.000 3.561 317 V HA 0.590 4.711 4.120 0.001 0.000 0.290 317 V C -0.393 175.820 176.094 0.198 0.000 1.052 317 V CA -0.410 61.866 62.300 -0.040 0.000 0.973 317 V CB 1.019 32.884 31.823 0.071 0.000 1.243 317 V HN 0.578 nan 8.190 nan 0.000 0.432 318 Y N -1.049 119.471 120.300 0.366 0.000 2.534 318 Y HA 0.485 5.035 4.550 0.001 0.000 0.329 318 Y C -0.336 175.761 175.900 0.329 0.000 1.154 318 Y CA -0.952 57.375 58.100 0.378 0.000 1.192 318 Y CB 0.850 39.483 38.460 0.288 0.000 1.275 318 Y HN 0.524 nan 8.280 nan 0.000 0.491 319 Y N 2.021 122.565 120.300 0.407 0.000 2.327 319 Y HA 0.345 4.896 4.550 0.000 0.000 0.336 319 Y C -0.756 175.229 175.900 0.141 0.000 1.035 319 Y CA -1.350 56.878 58.100 0.213 0.000 1.165 319 Y CB 0.708 39.338 38.460 0.285 0.000 1.181 319 Y HN 0.570 nan 8.280 nan 0.000 0.494 320 D N 8.609 128.805 120.400 -0.340 0.000 2.381 320 D HA 0.330 4.970 4.640 0.001 0.000 0.235 320 D C -2.153 173.699 176.300 -0.747 0.000 1.068 320 D CA -2.759 50.977 54.000 -0.439 0.000 0.832 320 D CB 1.966 42.669 40.800 -0.162 0.000 1.101 320 D HN 0.364 nan 8.370 nan 0.000 0.515 321 P HA -0.094 nan 4.420 nan 0.000 0.230 321 P C 0.928 178.109 177.300 -0.198 0.000 1.158 321 P CA 0.575 63.361 63.100 -0.523 0.000 0.769 321 P CB 0.158 31.693 31.700 -0.275 0.000 0.807 322 S N -1.830 113.770 115.700 -0.166 0.000 2.528 322 S HA 0.079 4.549 4.470 0.001 0.000 0.219 322 S C 0.838 175.400 174.600 -0.064 0.000 0.985 322 S CA -0.099 58.050 58.200 -0.084 0.000 0.914 322 S CB -0.391 62.770 63.200 -0.066 0.000 0.776 322 S HN 0.099 nan 8.310 nan 0.000 0.526 323 K N 1.260 121.611 120.400 -0.081 0.000 2.221 323 K HA 0.435 4.755 4.320 0.001 0.000 0.243 323 K C -0.998 175.578 176.600 -0.041 0.000 0.968 323 K CA -0.901 55.355 56.287 -0.052 0.000 0.846 323 K CB 0.727 33.198 32.500 -0.048 0.000 1.141 323 K HN 0.077 nan 8.250 nan 0.000 0.434 324 D N 1.037 121.407 120.400 -0.050 0.000 2.384 324 D HA 0.198 4.838 4.640 0.001 0.000 0.244 324 D C -0.122 176.095 176.300 -0.138 0.000 1.251 324 D CA 0.096 54.051 54.000 -0.075 0.000 0.961 324 D CB 0.663 41.414 40.800 -0.081 0.000 1.116 324 D HN 0.198 nan 8.370 nan 0.000 0.484 325 L N 0.893 121.986 121.223 -0.216 0.000 2.329 325 L HA 0.492 4.832 4.340 0.001 0.000 0.279 325 L C -0.237 176.378 176.870 -0.426 0.000 1.014 325 L CA -0.634 53.988 54.840 -0.364 0.000 0.814 325 L CB 1.456 43.224 42.059 -0.484 0.000 1.257 325 L HN 0.121 nan 8.230 nan 0.000 0.424 326 I N 2.177 122.403 120.570 -0.574 0.000 2.465 326 I HA 0.678 4.849 4.170 0.001 0.000 0.291 326 I C -0.289 175.344 176.117 -0.806 0.000 1.014 326 I CA -0.665 60.222 61.300 -0.688 0.000 1.093 326 I CB 2.074 39.620 38.000 -0.757 0.000 1.267 326 I HN 0.595 nan 8.210 nan 0.000 0.431 327 A N 5.070 127.494 122.820 -0.661 0.000 2.343 327 A HA 0.681 5.001 4.320 0.001 0.000 0.316 327 A C -0.815 176.660 177.584 -0.182 0.000 1.104 327 A CA -0.488 51.275 52.037 -0.456 0.000 0.768 327 A CB 1.537 20.134 19.000 -0.671 0.000 1.213 327 A HN 0.790 nan 8.150 nan 0.000 0.456 328 E N 1.851 122.069 120.200 0.030 0.000 2.222 328 E HA 0.655 5.005 4.350 0.001 0.000 0.267 328 E C -1.438 175.301 176.600 0.231 0.000 0.884 328 E CA -0.460 56.031 56.400 0.152 0.000 0.764 328 E CB 1.494 31.315 29.700 0.203 0.000 1.169 328 E HN 0.638 nan 8.360 nan 0.000 0.413 329 I N 2.466 123.175 120.570 0.232 0.000 2.569 329 I HA 0.355 4.526 4.170 0.001 0.000 0.296 329 I C -0.775 175.490 176.117 0.246 0.000 1.028 329 I CA -0.847 60.624 61.300 0.286 0.000 1.082 329 I CB 2.027 40.197 38.000 0.282 0.000 1.264 329 I HN 0.376 nan 8.210 nan 0.000 0.429 330 Q N 3.505 123.458 119.800 0.256 0.000 2.397 330 Q HA 0.449 4.789 4.340 0.001 0.000 0.275 330 Q C -0.934 175.122 176.000 0.093 0.000 1.090 330 Q CA -0.936 54.961 55.803 0.155 0.000 0.809 330 Q CB 2.579 31.364 28.738 0.079 0.000 1.362 330 Q HN 0.366 nan 8.270 nan 0.000 0.431 331 K N 1.472 121.811 120.400 -0.102 0.000 2.270 331 K HA 0.178 4.498 4.320 0.001 0.000 0.276 331 K C -0.325 176.068 176.600 -0.346 0.000 1.023 331 K CA 0.103 56.072 56.287 -0.531 0.000 0.955 331 K CB 0.619 32.777 32.500 -0.571 0.000 0.975 331 K HN 0.578 nan 8.250 nan 0.000 0.471 332 Q N 1.409 120.951 119.800 -0.431 0.000 3.046 332 Q HA 0.191 4.531 4.340 0.001 0.000 0.211 332 Q C 0.545 176.408 176.000 -0.228 0.000 1.153 332 Q CA -0.194 55.467 55.803 -0.237 0.000 0.326 332 Q CB -0.334 28.311 28.738 -0.156 0.000 5.660 332 Q HN 0.791 nan 8.270 nan 0.000 0.312 333 G N 2.114 110.803 108.800 -0.185 0.000 3.541 333 G HA2 0.163 4.124 3.960 0.001 0.000 0.253 333 G HA3 0.163 4.124 3.960 0.001 0.000 0.253 333 G C -0.484 174.326 174.900 -0.150 0.000 1.017 333 G CA -0.094 44.922 45.100 -0.139 0.000 1.832 333 G HN 0.196 nan 8.290 nan 0.000 0.649 334 Q N -0.796 118.886 119.800 -0.196 0.000 2.630 334 Q HA -0.205 4.135 4.340 0.001 0.000 0.210 334 Q C 1.217 177.144 176.000 -0.121 0.000 1.400 334 Q CA 1.212 56.921 55.803 -0.157 0.000 0.668 334 Q CB -1.564 27.112 28.738 -0.103 0.000 0.781 334 Q HN 1.622 nan 8.270 nan 0.000 0.311 335 G N 1.335 110.068 108.800 -0.112 0.000 2.205 335 G HA2 -0.299 3.662 3.960 0.001 0.000 0.261 335 G HA3 -0.299 3.662 3.960 0.001 0.000 0.261 335 G C 0.018 174.926 174.900 0.013 0.000 0.980 335 G CA 0.514 45.659 45.100 0.076 0.000 0.632 335 G HN 0.447 nan 8.290 nan 0.000 0.533 336 Q N -0.492 119.176 119.800 -0.219 0.000 2.278 336 Q HA 0.545 4.885 4.340 0.001 0.000 0.257 336 Q C -0.859 174.939 176.000 -0.337 0.000 0.928 336 Q CA -0.149 55.564 55.803 -0.150 0.000 0.932 336 Q CB 0.968 29.635 28.738 -0.119 0.000 1.221 336 Q HN 0.435 nan 8.270 nan 0.000 0.434 337 W N 1.208 122.513 121.300 0.009 0.000 2.739 337 W HA 0.354 5.014 4.660 0.000 0.000 0.331 337 W C 0.085 176.708 176.519 0.174 0.000 1.049 337 W CA -0.603 56.806 57.345 0.107 0.000 1.234 337 W CB 1.506 31.076 29.460 0.184 0.000 1.404 337 W HN 0.398 nan 8.180 nan 0.000 0.477 338 T N 0.082 114.831 114.554 0.326 0.000 2.925 338 T HA 0.806 5.156 4.350 0.001 0.000 0.285 338 T C -1.118 173.786 174.700 0.340 0.000 1.021 338 T CA -0.647 61.598 62.100 0.241 0.000 1.042 338 T CB 1.517 70.441 68.868 0.093 0.000 1.037 338 T HN 0.429 nan 8.240 nan 0.000 0.481 339 Y N -0.607 119.794 120.300 0.169 0.000 2.513 339 Y HA 0.757 5.307 4.550 0.000 0.000 0.340 339 Y C -1.408 174.569 175.900 0.128 0.000 1.055 339 Y CA -1.394 56.797 58.100 0.152 0.000 1.020 339 Y CB 1.423 39.975 38.460 0.153 0.000 1.301 339 Y HN 0.572 nan 8.280 nan 0.000 0.453 340 Q N 3.476 123.398 119.800 0.204 0.000 2.365 340 Q HA 0.706 5.046 4.340 0.001 0.000 0.269 340 Q C -1.319 174.810 176.000 0.215 0.000 1.061 340 Q CA -0.642 55.264 55.803 0.172 0.000 0.816 340 Q CB 3.138 31.989 28.738 0.189 0.000 1.325 340 Q HN 0.783 nan 8.270 nan 0.000 0.446 341 I N 3.421 124.108 120.570 0.195 0.000 2.418 341 I HA 0.519 4.689 4.170 0.001 0.000 0.287 341 I C -1.083 175.073 176.117 0.064 0.000 1.008 341 I CA -0.979 60.342 61.300 0.034 0.000 1.104 341 I CB 0.609 38.694 38.000 0.143 0.000 1.264 341 I HN 0.673 nan 8.210 nan 0.000 0.438 342 Y N 3.245 123.489 120.300 -0.094 0.000 2.689 342 Y HA 0.544 5.094 4.550 0.000 0.000 0.333 342 Y C -0.108 175.714 175.900 -0.131 0.000 1.190 342 Y CA -0.852 57.196 58.100 -0.087 0.000 1.063 342 Y CB 1.162 39.579 38.460 -0.071 0.000 1.294 342 Y HN 0.432 nan 8.280 nan 0.000 0.466 343 Q N -0.679 119.210 119.800 0.148 0.000 2.459 343 Q HA 0.258 4.598 4.340 0.001 0.000 0.260 343 Q C -0.701 175.388 176.000 0.150 0.000 0.828 343 Q CA -0.064 55.770 55.803 0.051 0.000 0.987 343 Q CB 1.366 30.096 28.738 -0.012 0.000 1.216 343 Q HN 0.526 nan 8.270 nan 0.000 0.558 344 E N 1.905 122.200 120.200 0.159 0.000 2.171 344 E HA 0.364 4.714 4.350 0.001 0.000 0.271 344 E C -2.577 174.031 176.600 0.014 0.000 0.916 344 E CA -2.343 54.115 56.400 0.096 0.000 0.774 344 E CB 1.584 31.320 29.700 0.062 0.000 1.128 344 E HN -0.085 nan 8.360 nan 0.000 0.403 345 P HA -0.076 nan 4.420 nan 0.000 0.263 345 P C -0.262 176.867 177.300 -0.285 0.000 1.175 345 P CA 0.521 63.340 63.100 -0.469 0.000 0.761 345 P CB 0.061 31.542 31.700 -0.366 0.000 0.794 346 F N -0.018 119.705 119.950 -0.378 0.000 2.705 346 F HA -0.243 4.285 4.527 0.000 0.000 0.413 346 F C 0.772 176.487 175.800 -0.142 0.000 0.588 346 F CA 1.038 58.904 58.000 -0.223 0.000 1.187 346 F CB -1.547 37.364 39.000 -0.149 0.000 1.737 346 F HN 0.305 nan 8.300 nan 0.000 0.285 347 K N 1.893 122.293 120.400 -0.000 0.000 2.457 347 K HA 0.302 4.623 4.320 0.001 0.000 0.226 347 K C -0.152 176.496 176.600 0.080 0.000 1.114 347 K CA -0.274 56.038 56.287 0.041 0.000 1.089 347 K CB -0.023 32.510 32.500 0.055 0.000 1.739 347 K HN 0.088 nan 8.250 nan 0.000 0.473 348 N N 1.474 120.220 118.700 0.076 0.000 2.492 348 N HA 0.062 4.802 4.740 0.001 0.000 0.260 348 N C 1.202 176.823 175.510 0.186 0.000 1.215 348 N CA -0.052 53.087 53.050 0.148 0.000 0.923 348 N CB 1.010 39.566 38.487 0.115 0.000 1.092 348 N HN 0.223 nan 8.380 nan 0.000 0.448 349 L N 1.089 122.473 121.223 0.269 0.000 2.253 349 L HA 0.204 4.544 4.340 0.001 0.000 0.205 349 L C 0.801 177.999 176.870 0.546 0.000 1.078 349 L CA 0.870 55.967 54.840 0.428 0.000 0.805 349 L CB 0.110 42.419 42.059 0.416 0.000 0.963 349 L HN 0.482 nan 8.230 nan 0.000 0.459 350 K N -0.710 119.928 120.400 0.395 0.000 2.572 350 K HA 0.371 4.691 4.320 0.001 0.000 0.263 350 K C -1.356 175.344 176.600 0.167 0.000 0.932 350 K CA -0.393 56.092 56.287 0.331 0.000 0.838 350 K CB 1.719 34.377 32.500 0.264 0.000 1.366 350 K HN -0.044 nan 8.250 nan 0.000 0.425 351 T N -0.577 114.002 114.554 0.041 0.000 2.916 351 T HA 0.906 5.256 4.350 0.001 0.000 0.292 351 T C -0.048 174.409 174.700 -0.405 0.000 1.055 351 T CA -0.799 61.184 62.100 -0.194 0.000 1.009 351 T CB 2.007 70.813 68.868 -0.102 0.000 1.118 351 T HN 0.654 nan 8.240 nan 0.000 0.497 352 G N 0.392 108.641 108.800 -0.919 0.000 2.660 352 G HA2 0.614 4.574 3.960 0.001 0.000 0.290 352 G HA3 0.614 4.574 3.960 0.001 0.000 0.290 352 G C -1.969 172.720 174.900 -0.352 0.000 1.432 352 G CA -1.049 43.645 45.100 -0.677 0.000 0.807 352 G HN 0.744 nan 8.290 nan 0.000 0.485 353 K N 0.309 120.752 120.400 0.071 0.000 2.413 353 K HA 0.383 4.704 4.320 0.001 0.000 0.257 353 K C -1.734 175.088 176.600 0.371 0.000 0.946 353 K CA -0.741 55.677 56.287 0.218 0.000 0.823 353 K CB 2.253 34.825 32.500 0.120 0.000 1.109 353 K HN 0.542 nan 8.250 nan 0.000 0.427 354 Y N 2.522 123.026 120.300 0.339 0.000 2.342 354 Y HA 0.536 5.086 4.550 0.000 0.000 0.334 354 Y C -0.278 175.771 175.900 0.250 0.000 1.067 354 Y CA -0.258 57.986 58.100 0.239 0.000 1.128 354 Y CB 1.493 40.043 38.460 0.150 0.000 1.200 354 Y HN 0.640 nan 8.280 nan 0.000 0.464 355 A N 5.514 128.116 122.820 -0.364 0.000 1.976 355 A HA 0.305 4.626 4.320 0.001 0.000 0.199 355 A C 1.584 178.843 177.584 -0.542 0.000 2.152 355 A CA 0.518 52.339 52.037 -0.361 0.000 1.086 355 A CB -0.503 18.439 19.000 -0.097 0.000 1.181 355 A HN 0.925 nan 8.150 nan 0.000 0.642 356 R N -2.565 117.791 120.500 -0.239 0.000 1.789 356 R HA -0.353 3.987 4.340 0.001 0.000 0.113 356 R C -0.615 175.645 176.300 -0.066 0.000 0.946 356 R CA 2.594 58.643 56.100 -0.086 0.000 1.115 356 R CB -1.362 29.005 30.300 0.112 0.000 0.510 356 R HN 0.987 nan 8.270 nan 0.000 0.457 357 M N -1.547 118.003 119.600 -0.083 0.000 4.047 357 M HA -0.155 4.326 4.480 0.001 0.000 0.157 357 M C -0.534 175.787 176.300 0.035 0.000 1.532 357 M CA 1.735 57.033 55.300 -0.002 0.000 1.097 357 M CB -0.432 32.168 32.600 0.001 0.000 1.346 357 M HN 0.506 nan 8.290 nan 0.000 0.190 358 R N 2.080 122.610 120.500 0.050 0.000 2.358 358 R HA 0.728 5.069 4.340 0.001 0.000 0.309 358 R C 0.312 176.641 176.300 0.048 0.000 1.026 358 R CA 0.623 56.756 56.100 0.055 0.000 0.909 358 R CB 1.072 31.414 30.300 0.070 0.000 1.153 358 R HN 1.506 nan 8.270 nan 0.000 0.515 359 G N 1.534 110.350 108.800 0.027 0.000 2.362 359 G HA2 0.006 3.966 3.960 0.001 0.000 0.517 359 G HA3 0.006 3.966 3.960 0.001 0.000 0.517 359 G C -0.251 174.608 174.900 -0.068 0.000 1.256 359 G CA -0.268 44.835 45.100 0.005 0.000 1.027 359 G HN 0.612 nan 8.290 nan 0.000 0.491 360 A N -1.112 121.590 122.820 -0.196 0.000 2.288 360 A HA 0.622 4.942 4.320 0.001 0.000 0.216 360 A C 0.627 177.872 177.584 -0.565 0.000 1.199 360 A CA 1.404 53.194 52.037 -0.412 0.000 0.891 360 A CB 0.185 18.838 19.000 -0.578 0.000 0.923 360 A HN 1.145 nan 8.150 nan 0.000 0.500 361 H N -0.854 118.256 119.070 0.066 0.000 3.177 361 H HA 0.487 5.044 4.556 0.001 0.000 0.314 361 H C -0.385 174.991 175.328 0.081 0.000 1.059 361 H CA -0.032 56.057 56.048 0.069 0.000 1.515 361 H CB 1.388 31.192 29.762 0.070 0.000 1.672 361 H HN 0.112 nan 8.280 nan 0.000 0.514 362 T N 1.649 116.291 114.554 0.146 0.000 2.841 362 T HA 0.503 4.853 4.350 0.001 0.000 0.276 362 T C -0.552 174.200 174.700 0.086 0.000 1.003 362 T CA -0.668 61.492 62.100 0.101 0.000 0.995 362 T CB 1.116 70.026 68.868 0.071 0.000 1.260 362 T HN 0.797 nan 8.240 nan 0.000 0.581 363 N N -0.191 118.524 118.700 0.024 0.000 3.039 363 N HA 0.347 5.088 4.740 0.001 0.000 0.257 363 N C -0.165 175.345 175.510 -0.001 0.000 1.497 363 N CA -0.518 52.541 53.050 0.016 0.000 0.861 363 N CB 0.338 38.793 38.487 -0.053 0.000 1.479 363 N HN 0.367 nan 8.380 nan 0.000 0.547 364 D N -0.250 120.182 120.400 0.054 0.000 2.117 364 D HA -0.011 4.629 4.640 0.001 0.000 0.198 364 D C 1.711 177.989 176.300 -0.037 0.000 0.982 364 D CA 1.240 55.342 54.000 0.169 0.000 0.828 364 D CB -0.137 40.820 40.800 0.261 0.000 0.967 364 D HN 0.346 nan 8.370 nan 0.000 0.464 365 V N 1.664 121.390 119.914 -0.313 0.000 2.343 365 V HA -0.240 3.880 4.120 0.001 0.000 0.247 365 V C 2.360 178.212 176.094 -0.402 0.000 1.051 365 V CA 1.982 64.005 62.300 -0.462 0.000 1.036 365 V CB -0.627 30.611 31.823 -0.974 0.000 0.654 365 V HN 0.331 nan 8.190 nan 0.000 0.451 366 K N 0.537 120.666 120.400 -0.453 0.000 2.217 366 K HA -0.211 4.109 4.320 0.001 0.000 0.202 366 K C 2.088 178.595 176.600 -0.155 0.000 1.051 366 K CA 1.661 57.824 56.287 -0.208 0.000 0.952 366 K CB -0.208 32.212 32.500 -0.133 0.000 0.736 366 K HN 0.422 nan 8.250 nan 0.000 0.453 367 Q N 0.821 120.513 119.800 -0.180 0.000 2.123 367 Q HA -0.081 4.260 4.340 0.001 0.000 0.199 367 Q C 2.057 177.709 176.000 -0.580 0.000 0.966 367 Q CA 0.998 56.667 55.803 -0.223 0.000 0.845 367 Q CB -0.078 28.637 28.738 -0.038 0.000 0.907 367 Q HN 0.393 nan 8.270 nan 0.000 0.439 368 L N -0.076 120.727 121.223 -0.700 0.000 1.994 368 L HA -0.157 4.183 4.340 0.001 0.000 0.208 368 L C 2.072 178.609 176.870 -0.556 0.000 1.071 368 L CA 2.366 56.703 54.840 -0.838 0.000 0.745 368 L CB -1.133 40.621 42.059 -0.508 0.000 0.892 368 L HN 0.199 nan 8.230 nan 0.000 0.431 369 T N -0.315 114.019 114.554 -0.366 0.000 2.685 369 T HA -0.269 4.081 4.350 0.001 0.000 0.268 369 T C 1.701 176.220 174.700 -0.302 0.000 1.034 369 T CA 2.028 63.957 62.100 -0.284 0.000 1.149 369 T CB -0.322 68.542 68.868 -0.007 0.000 0.860 369 T HN 0.477 nan 8.240 nan 0.000 0.449 370 E N 0.682 120.724 120.200 -0.264 0.000 2.077 370 E HA -0.055 4.295 4.350 0.001 0.000 0.193 370 E C 2.484 178.769 176.600 -0.525 0.000 0.989 370 E CA 1.078 57.316 56.400 -0.270 0.000 0.800 370 E CB -0.242 29.395 29.700 -0.104 0.000 0.746 370 E HN 0.510 nan 8.360 nan 0.000 0.452 371 A N 0.599 123.038 122.820 -0.635 0.000 1.898 371 A HA -0.126 4.194 4.320 0.001 0.000 0.216 371 A C 2.437 179.677 177.584 -0.574 0.000 1.181 371 A CA 1.012 52.569 52.037 -0.800 0.000 0.620 371 A CB -0.639 18.066 19.000 -0.492 0.000 0.819 371 A HN 0.143 nan 8.150 nan 0.000 0.442 372 V N 0.023 119.600 119.914 -0.561 0.000 2.688 372 V HA -0.320 3.800 4.120 0.001 0.000 0.256 372 V C 2.533 178.336 176.094 -0.486 0.000 1.084 372 V CA 2.316 64.197 62.300 -0.698 0.000 1.103 372 V CB -0.810 30.420 31.823 -0.988 0.000 0.688 372 V HN 0.660 nan 8.190 nan 0.000 0.480 373 Q N -0.688 118.879 119.800 -0.388 0.000 2.107 373 Q HA -0.082 4.258 4.340 0.001 0.000 0.195 373 Q C 2.440 178.296 176.000 -0.241 0.000 0.964 373 Q CA 0.967 56.618 55.803 -0.254 0.000 0.833 373 Q CB -0.250 28.367 28.738 -0.201 0.000 0.910 373 Q HN 0.444 nan 8.270 nan 0.000 0.465 374 K N 1.162 121.351 120.400 -0.352 0.000 2.020 374 K HA -0.213 4.108 4.320 0.001 0.000 0.212 374 K C 2.000 178.422 176.600 -0.297 0.000 1.050 374 K CA 1.491 57.570 56.287 -0.347 0.000 0.929 374 K CB -0.258 31.925 32.500 -0.528 0.000 0.714 374 K HN 0.145 nan 8.250 nan 0.000 0.443 375 I N 0.760 121.120 120.570 -0.349 0.000 2.151 375 I HA -0.315 3.855 4.170 0.001 0.000 0.243 375 I C 2.357 178.440 176.117 -0.058 0.000 1.080 375 I CA 1.635 62.781 61.300 -0.257 0.000 1.339 375 I CB -0.459 37.415 38.000 -0.209 0.000 1.039 375 I HN 0.259 nan 8.210 nan 0.000 0.409 376 T N -0.020 114.556 114.554 0.037 0.000 2.635 376 T HA -0.217 4.133 4.350 0.001 0.000 0.267 376 T C 1.905 176.601 174.700 -0.007 0.000 1.040 376 T CA 2.245 64.389 62.100 0.075 0.000 1.156 376 T CB -0.448 68.465 68.868 0.074 0.000 0.863 376 T HN 0.405 nan 8.240 nan 0.000 0.430 377 T N 1.484 116.002 114.554 -0.060 0.000 2.720 377 T HA -0.128 4.222 4.350 0.001 0.000 0.268 377 T C 1.877 176.518 174.700 -0.098 0.000 1.037 377 T CA 1.387 63.444 62.100 -0.072 0.000 1.144 377 T CB -0.280 68.534 68.868 -0.090 0.000 0.864 377 T HN 0.507 nan 8.240 nan 0.000 0.444 378 E N 0.668 120.791 120.200 -0.128 0.000 2.058 378 E HA -0.140 4.210 4.350 0.001 0.000 0.194 378 E C 2.422 178.900 176.600 -0.204 0.000 0.997 378 E CA 1.362 57.651 56.400 -0.185 0.000 0.801 378 E CB -0.036 29.554 29.700 -0.184 0.000 0.746 378 E HN 0.406 nan 8.360 nan 0.000 0.450 379 S N 0.509 116.182 115.700 -0.045 0.000 2.382 379 S HA -0.153 4.318 4.470 0.001 0.000 0.228 379 S C 1.975 176.611 174.600 0.060 0.000 1.027 379 S CA 0.959 59.248 58.200 0.147 0.000 0.991 379 S CB -0.203 63.124 63.200 0.212 0.000 0.823 379 S HN 0.276 nan 8.310 nan 0.000 0.469 380 I N 1.046 121.612 120.570 -0.007 0.000 2.202 380 I HA -0.138 4.033 4.170 0.001 0.000 0.242 380 I C 2.226 178.292 176.117 -0.086 0.000 1.091 380 I CA 0.853 62.141 61.300 -0.019 0.000 1.368 380 I CB -0.468 37.525 38.000 -0.013 0.000 1.058 380 I HN 0.150 nan 8.210 nan 0.000 0.410 381 V N 1.091 120.919 119.914 -0.143 0.000 2.255 381 V HA -0.304 3.816 4.120 0.001 0.000 0.247 381 V C 2.268 178.193 176.094 -0.282 0.000 1.051 381 V CA 2.078 64.266 62.300 -0.187 0.000 1.018 381 V CB -0.350 31.352 31.823 -0.201 0.000 0.641 381 V HN 0.318 nan 8.190 nan 0.000 0.445 382 I N -1.806 118.472 120.570 -0.488 0.000 2.333 382 I HA -0.160 4.011 4.170 0.001 0.000 0.246 382 I C 1.973 177.661 176.117 -0.714 0.000 1.106 382 I CA 1.440 62.271 61.300 -0.781 0.000 1.411 382 I CB -0.100 37.038 38.000 -1.436 0.000 1.082 382 I HN 0.405 nan 8.210 nan 0.000 0.420 383 W N -0.366 120.777 121.300 -0.262 0.000 2.868 383 W HA 0.396 5.057 4.660 0.001 0.000 0.320 383 W C 1.416 177.814 176.519 -0.203 0.000 1.076 383 W CA 0.563 57.683 57.345 -0.374 0.000 1.576 383 W CB -0.381 28.633 29.460 -0.743 0.000 1.030 383 W HN 0.240 nan 8.180 nan 0.000 0.558 384 G N 2.736 111.557 108.800 0.034 0.000 2.198 384 G HA2 -0.309 3.651 3.960 0.001 0.000 0.260 384 G HA3 -0.309 3.651 3.960 0.001 0.000 0.260 384 G C 0.187 175.125 174.900 0.062 0.000 1.025 384 G CA 1.126 46.247 45.100 0.036 0.000 0.769 384 G HN 0.357 nan 8.290 nan 0.000 0.507 385 K N -1.520 118.925 120.400 0.076 0.000 2.522 385 K HA 0.719 5.039 4.320 0.001 0.000 0.275 385 K C -0.859 175.769 176.600 0.047 0.000 1.006 385 K CA -0.845 55.477 56.287 0.059 0.000 0.890 385 K CB 1.140 33.676 32.500 0.061 0.000 1.475 385 K HN 0.001 nan 8.250 nan 0.000 0.441 386 T N 3.093 117.665 114.554 0.030 0.000 2.875 386 T HA 0.430 4.780 4.350 0.001 0.000 0.284 386 T C -2.332 172.336 174.700 -0.053 0.000 0.995 386 T CA -1.135 60.977 62.100 0.021 0.000 1.060 386 T CB 1.297 70.202 68.868 0.062 0.000 0.967 386 T HN 0.478 nan 8.240 nan 0.000 0.476 387 P HA 0.402 nan 4.420 nan 0.000 0.283 387 P C -1.018 176.079 177.300 -0.338 0.000 1.271 387 P CA -0.908 61.992 63.100 -0.333 0.000 0.841 387 P CB 1.234 32.598 31.700 -0.560 0.000 1.122 388 K N 1.133 121.342 120.400 -0.318 0.000 2.174 388 K HA 0.447 4.767 4.320 0.001 0.000 0.275 388 K C -0.360 176.043 176.600 -0.328 0.000 1.015 388 K CA -0.231 55.943 56.287 -0.189 0.000 0.933 388 K CB 0.492 32.921 32.500 -0.118 0.000 1.025 388 K HN 0.328 nan 8.250 nan 0.000 0.463 389 F N 1.380 121.300 119.950 -0.050 0.000 2.458 389 F HA 0.348 4.876 4.527 0.001 0.000 0.330 389 F C 0.335 176.159 175.800 0.040 0.000 1.082 389 F CA -0.749 57.228 58.000 -0.039 0.000 0.995 389 F CB 1.613 40.566 39.000 -0.078 0.000 1.170 389 F HN 0.163 nan 8.300 nan 0.000 0.478 390 K N 4.289 124.810 120.400 0.201 0.000 2.323 390 K HA 0.718 5.038 4.320 0.001 0.000 0.259 390 K C -1.441 175.267 176.600 0.181 0.000 0.947 390 K CA -0.565 55.830 56.287 0.180 0.000 0.819 390 K CB 1.952 34.513 32.500 0.101 0.000 1.109 390 K HN 0.496 nan 8.250 nan 0.000 0.429 391 L N 3.754 125.097 121.223 0.199 0.000 2.436 391 L HA 0.388 4.728 4.340 0.001 0.000 0.268 391 L C -2.224 174.744 176.870 0.164 0.000 0.974 391 L CA -2.217 52.686 54.840 0.106 0.000 0.826 391 L CB 2.383 44.352 42.059 -0.150 0.000 1.291 391 L HN 0.420 nan 8.230 nan 0.000 0.406 392 P HA 0.128 nan 4.420 nan 0.000 0.237 392 P C -0.588 176.885 177.300 0.289 0.000 1.701 392 P CA 0.669 63.879 63.100 0.184 0.000 0.955 392 P CB 0.091 31.879 31.700 0.147 0.000 1.937 393 I N -0.644 120.192 120.570 0.444 0.000 2.841 393 I HA 0.208 4.379 4.170 0.001 0.000 0.298 393 I C -1.166 175.125 176.117 0.289 0.000 1.304 393 I CA -0.871 60.592 61.300 0.272 0.000 1.019 393 I CB 2.686 40.681 38.000 -0.008 0.000 1.282 393 I HN -0.174 nan 8.210 nan 0.000 0.432 394 Q N 5.976 125.762 119.800 -0.025 0.000 2.256 394 Q HA 0.304 4.644 4.340 0.001 0.000 0.254 394 Q C 0.337 176.422 176.000 0.141 0.000 0.916 394 Q CA -0.906 54.709 55.803 -0.314 0.000 0.932 394 Q CB 1.665 30.130 28.738 -0.455 0.000 1.207 394 Q HN 0.473 nan 8.270 nan 0.000 0.426 395 K N 1.789 122.271 120.400 0.135 0.000 2.207 395 K HA -0.259 4.061 4.320 0.001 0.000 0.208 395 K C 1.358 178.103 176.600 0.242 0.000 1.046 395 K CA 1.601 58.013 56.287 0.208 0.000 0.929 395 K CB 0.117 32.580 32.500 -0.062 0.000 0.720 395 K HN 0.692 nan 8.250 nan 0.000 0.463 396 E N -0.264 119.991 120.200 0.092 0.000 2.318 396 E HA -0.039 4.311 4.350 0.001 0.000 0.193 396 E C 1.240 177.878 176.600 0.063 0.000 0.998 396 E CA 0.540 56.977 56.400 0.061 0.000 0.859 396 E CB 0.320 30.013 29.700 -0.012 0.000 0.812 396 E HN 0.179 nan 8.360 nan 0.000 0.492 397 T N 0.710 115.312 114.554 0.078 0.000 2.770 397 T HA -0.136 4.214 4.350 0.001 0.000 0.263 397 T C 1.221 176.010 174.700 0.149 0.000 1.039 397 T CA 0.912 63.045 62.100 0.055 0.000 1.142 397 T CB -0.318 68.556 68.868 0.011 0.000 0.868 397 T HN 0.425 nan 8.240 nan 0.000 0.435 398 W N 2.226 123.597 121.300 0.119 0.000 2.355 398 W HA -0.100 4.560 4.660 0.000 0.000 0.309 398 W C 1.933 178.648 176.519 0.327 0.000 1.206 398 W CA 1.028 58.513 57.345 0.234 0.000 1.284 398 W CB -0.165 29.473 29.460 0.297 0.000 1.145 398 W HN 0.229 nan 8.180 nan 0.000 0.502 399 E N -0.088 120.312 120.200 0.332 0.000 2.070 399 E HA -0.253 4.097 4.350 0.001 0.000 0.197 399 E C 2.198 178.616 176.600 -0.303 0.000 1.004 399 E CA 2.839 59.289 56.400 0.083 0.000 0.805 399 E CB -0.798 28.987 29.700 0.142 0.000 0.744 399 E HN 0.402 nan 8.360 nan 0.000 0.451 400 T N -1.105 113.347 114.554 -0.170 0.000 2.821 400 T HA -0.152 4.199 4.350 0.001 0.000 0.267 400 T C 1.777 176.316 174.700 -0.268 0.000 1.046 400 T CA 1.052 63.016 62.100 -0.228 0.000 1.139 400 T CB -0.617 68.178 68.868 -0.122 0.000 0.871 400 T HN 0.417 nan 8.240 nan 0.000 0.454 401 W N 2.059 123.121 121.300 -0.397 0.000 2.329 401 W HA -0.177 4.483 4.660 0.000 0.000 0.324 401 W C 2.400 178.656 176.519 -0.438 0.000 1.222 401 W CA 1.616 58.703 57.345 -0.430 0.000 1.270 401 W CB -0.795 28.378 29.460 -0.478 0.000 1.167 401 W HN 0.553 nan 8.180 nan 0.000 0.467 402 W N 1.405 122.198 121.300 -0.846 0.000 2.350 402 W HA -0.136 4.524 4.660 0.001 0.000 0.289 402 W C 1.291 177.534 176.519 -0.460 0.000 1.215 402 W CA 1.545 58.406 57.345 -0.807 0.000 1.236 402 W CB -1.538 27.553 29.460 -0.614 0.000 1.130 402 W HN -0.174 nan 8.180 nan 0.000 0.541 403 T N 1.262 115.095 114.554 -1.203 0.000 3.160 403 T HA -0.092 4.258 4.350 0.001 0.000 0.257 403 T C 0.231 174.601 174.700 -0.551 0.000 1.147 403 T CA 1.335 62.743 62.100 -1.154 0.000 1.064 403 T CB -0.313 67.778 68.868 -1.295 0.000 0.949 403 T HN 0.161 nan 8.240 nan 0.000 0.526 404 E N 0.518 120.436 120.200 -0.469 0.000 3.586 404 E HA 0.194 4.544 4.350 0.001 0.000 0.175 404 E C -1.467 174.918 176.600 -0.357 0.000 0.980 404 E CA -0.519 55.694 56.400 -0.313 0.000 1.391 404 E CB 0.158 29.720 29.700 -0.231 0.000 1.101 404 E HN 0.236 nan 8.360 nan 0.000 0.440 405 Y N 1.322 121.228 120.300 -0.656 0.000 2.338 405 Y HA 0.250 4.800 4.550 0.000 0.000 0.333 405 Y C 0.648 176.234 175.900 -0.524 0.000 0.968 405 Y CA -1.631 55.932 58.100 -0.894 0.000 1.123 405 Y CB 0.517 38.080 38.460 -1.496 0.000 1.165 405 Y HN 0.201 nan 8.280 nan 0.000 0.452 406 W N 2.674 123.667 121.300 -0.511 0.000 2.350 406 W HA -0.091 4.569 4.660 0.000 0.000 0.289 406 W C -0.006 176.213 176.519 -0.500 0.000 1.215 406 W CA 0.397 57.493 57.345 -0.416 0.000 1.236 406 W CB -0.475 28.800 29.460 -0.308 0.000 1.130 406 W HN 0.495 nan 8.180 nan 0.000 0.541 407 Q N 0.633 119.822 119.800 -1.018 0.000 2.308 407 Q HA 0.507 4.848 4.340 0.001 0.000 0.207 407 Q C -0.372 175.404 176.000 -0.373 0.000 1.035 407 Q CA -0.220 55.206 55.803 -0.628 0.000 1.008 407 Q CB 1.280 29.520 28.738 -0.832 0.000 1.168 407 Q HN 0.010 nan 8.270 nan 0.000 0.565 408 A N 0.758 123.501 122.820 -0.128 0.000 2.317 408 A HA 0.666 4.986 4.320 0.001 0.000 0.327 408 A C -0.610 177.028 177.584 0.089 0.000 1.178 408 A CA -0.370 51.661 52.037 -0.010 0.000 0.817 408 A CB 0.968 19.961 19.000 -0.011 0.000 1.189 408 A HN 0.684 nan 8.150 nan 0.000 0.489 409 T N -1.716 112.936 114.554 0.163 0.000 2.841 409 T HA 0.750 5.101 4.350 0.001 0.000 0.296 409 T C -1.110 173.846 174.700 0.427 0.000 1.166 409 T CA -0.635 61.646 62.100 0.301 0.000 1.007 409 T CB 1.354 70.465 68.868 0.406 0.000 1.253 409 T HN 1.266 nan 8.240 nan 0.000 0.511 410 W N 0.456 121.891 121.300 0.225 0.000 3.700 410 W HA 0.640 5.301 4.660 0.000 0.000 0.279 410 W C -2.733 173.766 176.519 -0.034 0.000 1.270 410 W CA -0.985 56.439 57.345 0.131 0.000 1.216 410 W CB 0.963 30.414 29.460 -0.015 0.000 1.292 410 W HN 0.864 nan 8.180 nan 0.000 0.557 411 I N 6.746 126.731 120.570 -0.974 0.000 2.608 411 I HA 0.454 4.624 4.170 0.001 0.000 0.295 411 I C -1.563 173.614 176.117 -1.567 0.000 1.049 411 I CA -2.207 58.417 61.300 -1.126 0.000 1.063 411 I CB 2.081 39.344 38.000 -1.229 0.000 1.248 411 I HN 0.130 nan 8.210 nan 0.000 0.424 412 P HA -0.028 nan 4.420 nan 0.000 0.300 412 P C -0.395 176.750 177.300 -0.258 0.000 1.294 412 P CA -0.297 62.373 63.100 -0.717 0.000 0.757 412 P CB 0.368 31.968 31.700 -0.165 0.000 1.377 413 E N 0.427 120.604 120.200 -0.039 0.000 2.415 413 E HA 0.020 4.370 4.350 0.001 0.000 0.260 413 E C -0.636 176.048 176.600 0.139 0.000 1.016 413 E CA 0.010 56.416 56.400 0.010 0.000 0.924 413 E CB 0.060 29.770 29.700 0.016 0.000 0.961 413 E HN 0.335 nan 8.360 nan 0.000 0.459 414 W N 3.416 124.650 121.300 -0.110 0.000 3.032 414 W HA 0.632 5.293 4.660 0.000 0.000 0.341 414 W C -1.262 175.242 176.519 -0.025 0.000 1.202 414 W CA -1.094 56.214 57.345 -0.061 0.000 1.132 414 W CB 0.693 30.066 29.460 -0.146 0.000 1.465 414 W HN 0.421 nan 8.180 nan 0.000 0.576 415 E N 1.383 121.754 120.200 0.286 0.000 2.256 415 E HA 0.323 4.673 4.350 0.001 0.000 0.268 415 E C -1.616 175.222 176.600 0.396 0.000 0.877 415 E CA -0.963 55.521 56.400 0.141 0.000 0.757 415 E CB 2.322 32.069 29.700 0.079 0.000 1.183 415 E HN 0.270 nan 8.360 nan 0.000 0.418 416 F N 4.775 124.826 119.950 0.169 0.000 2.578 416 F HA 0.137 4.665 4.527 0.001 0.000 0.381 416 F C -0.541 175.352 175.800 0.155 0.000 1.069 416 F CA -0.009 58.143 58.000 0.253 0.000 1.231 416 F CB 0.792 39.892 39.000 0.166 0.000 1.086 416 F HN 0.170 nan 8.300 nan 0.000 0.564 417 V N 8.517 128.234 119.914 -0.327 0.000 2.257 417 V HA 0.217 4.338 4.120 0.001 0.000 0.269 417 V C -0.029 175.583 176.094 -0.804 0.000 1.040 417 V CA -0.783 61.252 62.300 -0.442 0.000 0.813 417 V CB 0.016 31.762 31.823 -0.128 0.000 1.065 417 V HN 0.791 nan 8.190 nan 0.000 0.457 418 N N 4.689 122.680 118.700 -1.182 0.000 2.355 418 N HA 0.002 4.743 4.740 0.001 0.000 0.282 418 N C -0.021 175.322 175.510 -0.278 0.000 1.374 418 N CA 0.991 53.608 53.050 -0.722 0.000 0.929 418 N CB 0.483 38.779 38.487 -0.318 0.000 1.278 418 N HN 0.792 nan 8.380 nan 0.000 0.491 419 T N 2.268 116.727 114.554 -0.158 0.000 2.572 419 T HA 0.511 4.862 4.350 0.001 0.000 0.274 419 T C -1.697 172.997 174.700 -0.011 0.000 0.949 419 T CA -0.695 61.363 62.100 -0.070 0.000 1.126 419 T CB 0.222 69.051 68.868 -0.066 0.000 1.478 419 T HN 0.208 nan 8.240 nan 0.000 0.492 420 P HA 0.215 nan 4.420 nan 0.000 0.219 420 P C -2.393 174.922 177.300 0.026 0.000 1.231 420 P CA 0.098 63.205 63.100 0.011 0.000 0.673 420 P CB -0.883 30.819 31.700 0.003 0.000 0.768 421 P HA 0.077 nan 4.420 nan 0.000 0.270 421 P C -0.277 177.054 177.300 0.052 0.000 1.242 421 P CA 0.606 63.729 63.100 0.038 0.000 0.768 421 P CB 0.123 31.833 31.700 0.018 0.000 0.820 422 L N 3.562 124.829 121.223 0.073 0.000 2.452 422 L HA 0.203 4.543 4.340 0.001 0.000 0.267 422 L C 1.092 177.999 176.870 0.061 0.000 1.188 422 L CA -0.857 54.043 54.840 0.100 0.000 0.821 422 L CB 0.754 42.888 42.059 0.124 0.000 1.102 422 L HN 0.246 nan 8.230 nan 0.000 0.470 423 V N 0.362 120.324 119.914 0.080 0.000 2.432 423 V HA 0.610 4.730 4.120 0.001 0.000 0.275 423 V C -0.246 175.794 176.094 -0.089 0.000 1.043 423 V CA -0.427 61.901 62.300 0.046 0.000 0.925 423 V CB 1.158 33.069 31.823 0.147 0.000 0.985 423 V HN 0.785 nan 8.190 nan 0.000 0.466 424 K N 4.316 124.558 120.400 -0.265 0.000 2.533 424 K HA 0.647 4.968 4.320 0.001 0.000 0.272 424 K C -1.324 174.930 176.600 -0.576 0.000 0.985 424 K CA -0.896 55.140 56.287 -0.418 0.000 0.876 424 K CB 1.915 34.111 32.500 -0.507 0.000 1.452 424 K HN 0.819 nan 8.250 nan 0.000 0.439 425 L N 2.889 123.853 121.223 -0.431 0.000 2.278 425 L HA 0.317 4.658 4.340 0.001 0.000 0.287 425 L C 0.126 176.830 176.870 -0.276 0.000 1.072 425 L CA -0.246 54.400 54.840 -0.323 0.000 0.819 425 L CB 0.608 42.537 42.059 -0.218 0.000 1.176 425 L HN 0.661 nan 8.230 nan 0.000 0.435 426 W N 4.224 125.544 121.300 0.033 0.000 3.204 426 W HA 0.072 4.732 4.660 0.000 0.000 0.249 426 W C -0.163 176.582 176.519 0.377 0.000 1.322 426 W CA -0.172 57.279 57.345 0.176 0.000 1.593 426 W CB -0.154 29.424 29.460 0.197 0.000 1.122 426 W HN 0.549 nan 8.180 nan 0.000 0.710 427 Y N -2.900 117.485 120.300 0.142 0.000 2.948 427 Y HA 0.330 4.880 4.550 0.000 0.000 0.407 427 Y C -1.436 174.508 175.900 0.072 0.000 1.115 427 Y CA -2.344 55.816 58.100 0.101 0.000 1.357 427 Y CB -0.052 38.478 38.460 0.117 0.000 1.560 427 Y HN -0.075 nan 8.280 nan 0.000 0.517 428 Q N 1.710 121.522 119.800 0.019 0.000 2.379 428 Q HA 0.741 5.082 4.340 0.001 0.000 0.278 428 Q C -1.469 174.580 176.000 0.081 0.000 1.068 428 Q CA -1.090 54.670 55.803 -0.071 0.000 0.816 428 Q CB 3.288 32.001 28.738 -0.042 0.000 1.387 428 Q HN 0.666 nan 8.270 nan 0.000 0.413 429 L N 1.552 122.808 121.223 0.056 0.000 2.375 429 L HA 0.361 4.701 4.340 0.001 0.000 0.271 429 L C 0.397 177.319 176.870 0.087 0.000 1.107 429 L CA -0.853 54.045 54.840 0.096 0.000 0.806 429 L CB 0.602 42.701 42.059 0.066 0.000 1.146 429 L HN 0.471 nan 8.230 nan 0.000 0.447 430 E N 1.800 122.084 120.200 0.140 0.000 2.404 430 E HA 0.026 4.376 4.350 0.001 0.000 0.261 430 E C 0.296 177.034 176.600 0.229 0.000 1.074 430 E CA 0.099 56.612 56.400 0.189 0.000 0.917 430 E CB 1.017 30.878 29.700 0.267 0.000 0.965 430 E HN 0.455 nan 8.360 nan 0.000 0.433 431 K N 0.919 121.435 120.400 0.193 0.000 2.323 431 K HA 0.072 4.393 4.320 0.001 0.000 0.197 431 K C 0.246 177.034 176.600 0.314 0.000 1.043 431 K CA 0.402 56.803 56.287 0.190 0.000 0.997 431 K CB 0.528 33.083 32.500 0.091 0.000 0.807 431 K HN 0.313 nan 8.250 nan 0.000 0.497 432 E N 1.058 121.400 120.200 0.236 0.000 2.277 432 E HA 0.289 4.640 4.350 0.001 0.000 0.266 432 E C -2.688 173.645 176.600 -0.444 0.000 0.901 432 E CA -2.642 53.761 56.400 0.005 0.000 0.782 432 E CB 1.498 31.178 29.700 -0.033 0.000 1.228 432 E HN -0.115 nan 8.360 nan 0.000 0.424 433 P HA 0.177 nan 4.420 nan 0.000 0.271 433 P C 0.008 177.072 177.300 -0.393 0.000 1.216 433 P CA 0.012 62.451 63.100 -1.102 0.000 0.776 433 P CB 0.594 31.821 31.700 -0.788 0.000 0.881 434 I N 2.210 122.648 120.570 -0.219 0.000 2.441 434 I HA 0.141 4.311 4.170 0.001 0.000 0.287 434 I C 0.630 176.704 176.117 -0.072 0.000 1.049 434 I CA -0.939 60.310 61.300 -0.085 0.000 1.381 434 I CB 0.702 38.694 38.000 -0.015 0.000 1.409 434 I HN 0.038 nan 8.210 nan 0.000 0.523 435 V N 4.619 124.502 119.914 -0.052 0.000 2.583 435 V HA 0.376 4.496 4.120 0.001 0.000 0.287 435 V C 1.043 177.126 176.094 -0.019 0.000 1.051 435 V CA -0.219 62.058 62.300 -0.038 0.000 1.010 435 V CB 0.673 32.477 31.823 -0.032 0.000 0.988 435 V HN 1.138 nan 8.190 nan 0.000 0.478 436 G N 3.299 112.090 108.800 -0.015 0.000 2.351 436 G HA2 0.159 4.120 3.960 0.001 0.000 0.297 436 G HA3 0.159 4.120 3.960 0.001 0.000 0.297 436 G C -0.027 174.875 174.900 0.004 0.000 1.054 436 G CA 0.196 45.293 45.100 -0.005 0.000 1.123 436 G HN 1.666 nan 8.290 nan 0.000 0.512 437 A N -0.129 122.696 122.820 0.008 0.000 2.475 437 A HA 0.805 5.125 4.320 0.001 0.000 0.301 437 A C 0.024 177.630 177.584 0.037 0.000 1.059 437 A CA -0.297 51.757 52.037 0.029 0.000 0.710 437 A CB 1.227 20.249 19.000 0.036 0.000 1.288 437 A HN 0.635 nan 8.150 nan 0.000 0.408 438 E N 1.357 121.594 120.200 0.063 0.000 2.238 438 E HA 0.186 4.536 4.350 0.001 0.000 0.264 438 E C -0.520 176.121 176.600 0.068 0.000 1.136 438 E CA 0.131 56.545 56.400 0.024 0.000 0.929 438 E CB 0.219 29.928 29.700 0.015 0.000 1.010 438 E HN 0.520 nan 8.360 nan 0.000 0.440 439 T N 5.716 120.273 114.554 0.006 0.000 2.743 439 T HA 0.088 4.438 4.350 0.001 0.000 0.290 439 T C -0.436 174.251 174.700 -0.022 0.000 0.908 439 T CA 0.042 62.159 62.100 0.028 0.000 1.092 439 T CB -0.298 68.601 68.868 0.052 0.000 0.882 439 T HN 0.239 nan 8.240 nan 0.000 0.531 440 F N 3.385 123.272 119.950 -0.104 0.000 2.421 440 F HA 0.315 4.843 4.527 0.000 0.000 0.358 440 F C 0.088 175.819 175.800 -0.115 0.000 1.115 440 F CA -0.870 57.073 58.000 -0.095 0.000 1.160 440 F CB 0.493 39.394 39.000 -0.166 0.000 1.123 440 F HN 0.501 nan 8.300 nan 0.000 0.508 441 Y N 3.905 124.268 120.300 0.105 0.000 2.454 441 Y HA 0.416 4.966 4.550 0.000 0.000 0.345 441 Y C 0.213 176.220 175.900 0.177 0.000 0.970 441 Y CA -0.504 57.662 58.100 0.110 0.000 1.204 441 Y CB 0.772 39.257 38.460 0.041 0.000 1.122 441 Y HN 0.314 nan 8.280 nan 0.000 0.514 442 V N 3.557 123.618 119.914 0.246 0.000 2.966 442 V HA 0.684 4.804 4.120 0.001 0.000 0.317 442 V C -0.786 175.409 176.094 0.170 0.000 1.070 442 V CA -0.127 62.320 62.300 0.244 0.000 1.008 442 V CB 1.984 33.931 31.823 0.205 0.000 1.070 442 V HN 0.829 nan 8.190 nan 0.000 0.457 443 D N 1.031 121.520 120.400 0.149 0.000 2.884 443 D HA 0.547 5.188 4.640 0.001 0.000 0.255 443 D C -0.690 175.660 176.300 0.085 0.000 1.142 443 D CA 0.497 54.559 54.000 0.103 0.000 0.726 443 D CB 1.562 42.409 40.800 0.077 0.000 1.436 443 D HN 0.957 nan 8.370 nan 0.000 0.441 444 G N -0.472 108.371 108.800 0.072 0.000 2.725 444 G HA2 0.983 4.944 3.960 0.001 0.000 0.288 444 G HA3 0.983 4.944 3.960 0.001 0.000 0.288 444 G C -1.562 173.365 174.900 0.046 0.000 1.399 444 G CA -0.152 44.981 45.100 0.055 0.000 0.859 444 G HN 0.770 nan 8.290 nan 0.000 0.479 445 A N -1.299 121.541 122.820 0.034 0.000 2.589 445 A HA 0.990 5.311 4.320 0.001 0.000 0.296 445 A C -0.715 176.882 177.584 0.022 0.000 1.062 445 A CA 0.110 52.166 52.037 0.032 0.000 0.686 445 A CB 1.386 20.406 19.000 0.034 0.000 1.282 445 A HN 2.406 nan 8.150 nan 0.000 0.404 446 A N 0.772 123.603 122.820 0.018 0.000 2.515 446 A HA 0.770 5.090 4.320 0.001 0.000 0.298 446 A C -0.835 176.755 177.584 0.010 0.000 1.059 446 A CA -0.415 51.628 52.037 0.011 0.000 0.698 446 A CB 1.279 20.281 19.000 0.004 0.000 1.289 446 A HN 1.224 nan 8.150 nan 0.000 0.404 447 N N 0.851 119.555 118.700 0.007 0.000 2.546 447 N HA 0.235 4.976 4.740 0.001 0.000 0.238 447 N C 0.835 176.347 175.510 0.003 0.000 0.984 447 N CA -0.706 52.348 53.050 0.007 0.000 0.935 447 N CB 0.604 39.096 38.487 0.007 0.000 1.122 447 N HN 0.534 nan 8.380 nan 0.000 0.510 448 R N 1.507 122.008 120.500 0.002 0.000 2.261 448 R HA -0.124 4.216 4.340 0.001 0.000 0.236 448 R C 0.574 176.874 176.300 -0.000 0.000 1.141 448 R CA 1.039 57.138 56.100 -0.001 0.000 1.001 448 R CB -0.082 30.216 30.300 -0.003 0.000 0.866 448 R HN 0.722 nan 8.270 nan 0.000 0.468 449 E N -0.338 119.863 120.200 0.001 0.000 2.022 449 E HA -0.067 4.283 4.350 0.001 0.000 0.193 449 E C 1.983 178.584 176.600 0.002 0.000 0.969 449 E CA 1.690 58.091 56.400 0.001 0.000 0.834 449 E CB -0.875 28.826 29.700 0.002 0.000 0.798 449 E HN 0.311 nan 8.360 nan 0.000 0.467 450 T N -0.823 113.733 114.554 0.002 0.000 3.007 450 T HA -0.082 4.268 4.350 0.001 0.000 0.270 450 T C 1.112 175.813 174.700 0.002 0.000 1.107 450 T CA 1.424 63.525 62.100 0.002 0.000 1.118 450 T CB -0.103 68.766 68.868 0.003 0.000 0.889 450 T HN 0.188 nan 8.240 nan 0.000 0.506 451 K N -0.608 119.793 120.400 0.002 0.000 3.391 451 K HA -0.103 4.218 4.320 0.001 0.000 0.307 451 K C -0.575 176.026 176.600 0.002 0.000 1.304 451 K CA 0.612 56.900 56.287 0.001 0.000 0.904 451 K CB -2.257 30.243 32.500 0.001 0.000 1.293 451 K HN 0.626 nan 8.250 nan 0.000 0.470 452 L N -0.466 120.759 121.223 0.003 0.000 2.360 452 L HA 0.739 5.079 4.340 0.001 0.000 0.271 452 L C 1.027 177.901 176.870 0.006 0.000 1.057 452 L CA -0.050 54.792 54.840 0.004 0.000 0.803 452 L CB 1.783 43.844 42.059 0.004 0.000 1.207 452 L HN 0.210 nan 8.230 nan 0.000 0.445 453 G N 0.956 109.760 108.800 0.007 0.000 2.606 453 G HA2 0.624 4.584 3.960 0.001 0.000 0.300 453 G HA3 0.624 4.584 3.960 0.001 0.000 0.300 453 G C -1.847 173.058 174.900 0.009 0.000 1.360 453 G CA -0.619 44.486 45.100 0.009 0.000 0.783 453 G HN 0.430 nan 8.290 nan 0.000 0.484 454 K N -1.066 119.340 120.400 0.010 0.000 2.508 454 K HA 0.762 5.083 4.320 0.001 0.000 0.260 454 K C -1.117 175.491 176.600 0.013 0.000 0.949 454 K CA -0.774 55.517 56.287 0.006 0.000 0.834 454 K CB 2.793 35.293 32.500 -0.000 0.000 1.365 454 K HN 0.931 nan 8.250 nan 0.000 0.437 455 A N 0.614 123.439 122.820 0.009 0.000 2.515 455 A HA 0.922 5.242 4.320 0.001 0.000 0.298 455 A C -0.832 176.744 177.584 -0.014 0.000 1.059 455 A CA -0.347 51.703 52.037 0.021 0.000 0.698 455 A CB 2.075 21.102 19.000 0.045 0.000 1.289 455 A HN 0.794 nan 8.150 nan 0.000 0.404 456 G N -0.492 108.304 108.800 -0.007 0.000 2.488 456 G HA2 0.706 4.666 3.960 0.001 0.000 0.301 456 G HA3 0.706 4.666 3.960 0.001 0.000 0.301 456 G C -1.246 173.670 174.900 0.026 0.000 1.339 456 G CA 0.185 45.221 45.100 -0.108 0.000 0.803 456 G HN 1.839 nan 8.290 nan 0.000 0.482 457 Y N -3.306 117.068 120.300 0.123 0.000 2.728 457 Y HA 0.855 5.405 4.550 0.001 0.000 0.330 457 Y C -1.244 174.719 175.900 0.104 0.000 1.234 457 Y CA -1.597 56.604 58.100 0.168 0.000 1.070 457 Y CB 1.901 40.554 38.460 0.322 0.000 1.300 457 Y HN 0.646 nan 8.280 nan 0.000 0.467 458 V N 1.192 121.374 119.914 0.447 0.000 2.817 458 V HA 0.497 4.617 4.120 0.001 0.000 0.303 458 V C -0.527 175.599 176.094 0.054 0.000 1.151 458 V CA -0.109 62.317 62.300 0.210 0.000 0.929 458 V CB 2.299 34.176 31.823 0.090 0.000 1.030 458 V HN 1.122 nan 8.190 nan 0.000 0.427 459 T N 0.109 114.583 114.554 -0.133 0.000 2.919 459 T HA 0.386 4.737 4.350 0.001 0.000 0.282 459 T C 0.637 175.262 174.700 -0.125 0.000 1.020 459 T CA -0.417 61.515 62.100 -0.280 0.000 0.994 459 T CB 1.423 69.916 68.868 -0.625 0.000 1.180 459 T HN 0.700 nan 8.240 nan 0.000 0.566 460 N N -0.555 118.089 118.700 -0.094 0.000 2.313 460 N HA 0.057 4.797 4.740 0.001 0.000 0.207 460 N C 0.278 175.745 175.510 -0.072 0.000 1.141 460 N CA -0.395 52.621 53.050 -0.056 0.000 0.830 460 N CB 0.131 38.619 38.487 0.001 0.000 1.008 460 N HN 0.587 nan 8.380 nan 0.000 0.481 461 K N -0.138 120.199 120.400 -0.105 0.000 2.564 461 K HA 0.209 4.529 4.320 0.001 0.000 0.205 461 K C 0.429 176.987 176.600 -0.070 0.000 1.053 461 K CA 0.148 56.387 56.287 -0.081 0.000 1.072 461 K CB 0.638 33.087 32.500 -0.086 0.000 0.822 461 K HN 0.236 nan 8.250 nan 0.000 0.497 462 G N 2.185 110.944 108.800 -0.069 0.000 2.245 462 G HA2 -0.362 3.599 3.960 0.001 0.000 0.264 462 G HA3 -0.362 3.599 3.960 0.001 0.000 0.264 462 G C 0.229 175.115 174.900 -0.023 0.000 0.985 462 G CA 0.361 45.436 45.100 -0.042 0.000 0.625 462 G HN 0.406 nan 8.290 nan 0.000 0.536 463 R N 1.026 121.502 120.500 -0.040 0.000 2.570 463 R HA 0.426 4.767 4.340 0.001 0.000 0.277 463 R C -0.102 176.276 176.300 0.130 0.000 1.039 463 R CA 0.558 56.675 56.100 0.027 0.000 1.065 463 R CB 0.122 30.415 30.300 -0.012 0.000 0.964 463 R HN 0.505 nan 8.270 nan 0.000 0.428 464 Q N 2.768 122.695 119.800 0.211 0.000 2.379 464 Q HA 0.357 4.698 4.340 0.001 0.000 0.278 464 Q C -1.492 174.518 176.000 0.017 0.000 1.068 464 Q CA -0.933 54.981 55.803 0.186 0.000 0.816 464 Q CB 2.993 31.767 28.738 0.059 0.000 1.387 464 Q HN 0.487 nan 8.270 nan 0.000 0.413 465 K N 0.735 120.929 120.400 -0.344 0.000 2.502 465 K HA 0.720 5.040 4.320 0.001 0.000 0.257 465 K C -1.877 174.532 176.600 -0.318 0.000 0.938 465 K CA -0.594 55.429 56.287 -0.440 0.000 0.819 465 K CB 2.239 34.259 32.500 -0.800 0.000 1.333 465 K HN 0.370 nan 8.250 nan 0.000 0.434 466 V N 3.141 122.946 119.914 -0.182 0.000 2.655 466 V HA 0.367 4.487 4.120 0.001 0.000 0.301 466 V C -1.223 174.823 176.094 -0.078 0.000 1.082 466 V CA -0.883 61.349 62.300 -0.113 0.000 0.899 466 V CB 1.897 33.680 31.823 -0.067 0.000 1.014 466 V HN 0.536 nan 8.190 nan 0.000 0.429 467 V N 6.911 126.789 119.914 -0.060 0.000 2.495 467 V HA 0.579 4.699 4.120 0.001 0.000 0.298 467 V C -2.267 173.818 176.094 -0.014 0.000 1.031 467 V CA -1.806 60.475 62.300 -0.032 0.000 0.871 467 V CB 2.435 34.246 31.823 -0.020 0.000 0.988 467 V HN 0.738 nan 8.190 nan 0.000 0.432 468 P HA 0.520 nan 4.420 nan 0.000 0.286 468 P C -1.316 175.986 177.300 0.004 0.000 1.261 468 P CA -0.410 62.689 63.100 -0.003 0.000 0.821 468 P CB 1.602 33.300 31.700 -0.003 0.000 1.013 469 L N 1.872 123.099 121.223 0.006 0.000 2.381 469 L HA 0.551 4.891 4.340 0.001 0.000 0.268 469 L C 0.522 177.396 176.870 0.007 0.000 0.997 469 L CA -0.628 54.217 54.840 0.009 0.000 0.818 469 L CB 2.450 44.517 42.059 0.013 0.000 1.310 469 L HN 0.408 nan 8.230 nan 0.000 0.416 470 T N -1.850 112.708 114.554 0.007 0.000 2.855 470 T HA 0.381 4.731 4.350 0.001 0.000 0.281 470 T C 0.171 174.874 174.700 0.005 0.000 1.007 470 T CA -0.716 61.387 62.100 0.005 0.000 1.009 470 T CB 1.470 70.341 68.868 0.005 0.000 0.983 470 T HN 0.594 nan 8.240 nan 0.000 0.455 471 N N 1.253 119.956 118.700 0.004 0.000 2.696 471 N HA -0.151 4.589 4.740 0.001 0.000 0.256 471 N C -0.009 175.503 175.510 0.003 0.000 1.031 471 N CA 1.461 54.512 53.050 0.003 0.000 0.730 471 N CB -1.173 37.316 38.487 0.003 0.000 0.894 471 N HN 1.150 nan 8.380 nan 0.000 0.544 472 T N -3.561 110.995 114.554 0.002 0.000 2.888 472 T HA 0.776 5.127 4.350 0.001 0.000 0.288 472 T C 0.436 175.133 174.700 -0.004 0.000 1.063 472 T CA -0.310 61.791 62.100 0.001 0.000 1.010 472 T CB 2.703 71.575 68.868 0.006 0.000 1.214 472 T HN 0.196 nan 8.240 nan 0.000 0.533 473 T N -1.050 113.498 114.554 -0.011 0.000 2.924 473 T HA 0.448 4.798 4.350 0.001 0.000 0.291 473 T C 0.932 175.614 174.700 -0.030 0.000 1.045 473 T CA -0.980 61.106 62.100 -0.023 0.000 1.015 473 T CB 1.454 70.299 68.868 -0.038 0.000 1.103 473 T HN 0.538 nan 8.240 nan 0.000 0.496 474 N N 1.190 119.870 118.700 -0.034 0.000 2.011 474 N HA -0.237 4.504 4.740 0.001 0.000 0.199 474 N C 2.038 177.517 175.510 -0.052 0.000 1.047 474 N CA 2.335 55.368 53.050 -0.028 0.000 0.863 474 N CB -0.379 38.095 38.487 -0.021 0.000 1.056 474 N HN 0.912 nan 8.380 nan 0.000 0.427 475 Q N 0.856 120.572 119.800 -0.141 0.000 2.368 475 Q HA -0.081 4.259 4.340 0.001 0.000 0.210 475 Q C 1.730 177.656 176.000 -0.123 0.000 0.982 475 Q CA 1.329 56.975 55.803 -0.261 0.000 0.884 475 Q CB -0.092 28.188 28.738 -0.762 0.000 0.933 475 Q HN 0.285 nan 8.270 nan 0.000 0.460 476 K N 0.866 121.228 120.400 -0.062 0.000 2.076 476 K HA -0.082 4.238 4.320 0.001 0.000 0.204 476 K C 2.244 178.864 176.600 0.034 0.000 1.051 476 K CA 1.583 57.874 56.287 0.007 0.000 0.949 476 K CB 0.040 32.541 32.500 0.001 0.000 0.726 476 K HN 0.426 nan 8.250 nan 0.000 0.443 477 T N -0.932 113.638 114.554 0.026 0.000 2.962 477 T HA -0.078 4.272 4.350 0.001 0.000 0.270 477 T C 1.738 176.480 174.700 0.070 0.000 1.088 477 T CA 0.603 62.730 62.100 0.045 0.000 1.127 477 T CB 0.004 68.892 68.868 0.034 0.000 0.883 477 T HN 0.067 nan 8.240 nan 0.000 0.493 478 Q N 0.716 120.562 119.800 0.076 0.000 2.167 478 Q HA 0.157 4.497 4.340 0.001 0.000 0.202 478 Q C 2.300 178.382 176.000 0.136 0.000 0.970 478 Q CA 1.036 56.908 55.803 0.115 0.000 0.855 478 Q CB -0.374 28.448 28.738 0.140 0.000 0.911 478 Q HN 0.565 nan 8.270 nan 0.000 0.438 479 L N -0.248 121.055 121.223 0.134 0.000 2.249 479 L HA -0.113 4.228 4.340 0.001 0.000 0.207 479 L C 2.387 179.327 176.870 0.117 0.000 1.090 479 L CA 0.426 55.342 54.840 0.125 0.000 0.802 479 L CB -0.116 42.014 42.059 0.118 0.000 0.947 479 L HN 0.128 nan 8.230 nan 0.000 0.453 480 Q N 0.455 120.318 119.800 0.106 0.000 2.020 480 Q HA -0.170 4.170 4.340 0.001 0.000 0.202 480 Q C 2.292 178.392 176.000 0.167 0.000 0.982 480 Q CA 2.258 58.138 55.803 0.127 0.000 0.838 480 Q CB -0.365 28.426 28.738 0.088 0.000 0.899 480 Q HN 0.431 nan 8.270 nan 0.000 0.423 481 A N 0.229 123.130 122.820 0.134 0.000 1.908 481 A HA -0.190 4.130 4.320 0.001 0.000 0.218 481 A C 2.131 179.820 177.584 0.175 0.000 1.181 481 A CA 1.655 53.781 52.037 0.148 0.000 0.627 481 A CB -0.899 18.182 19.000 0.135 0.000 0.818 481 A HN 0.487 nan 8.150 nan 0.000 0.445 482 I N -1.999 118.663 120.570 0.154 0.000 2.286 482 I HA -0.267 3.904 4.170 0.001 0.000 0.248 482 I C 2.470 178.659 176.117 0.120 0.000 1.115 482 I CA 1.701 63.074 61.300 0.121 0.000 1.392 482 I CB -0.462 37.599 38.000 0.102 0.000 1.065 482 I HN 0.532 nan 8.210 nan 0.000 0.418 483 Y N 1.958 122.269 120.300 0.018 0.000 2.145 483 Y HA -0.226 4.324 4.550 0.001 0.000 0.286 483 Y C 2.299 178.201 175.900 0.004 0.000 1.145 483 Y CA 1.399 59.496 58.100 -0.004 0.000 1.148 483 Y CB -0.537 37.925 38.460 0.005 0.000 0.981 483 Y HN -0.019 nan 8.280 nan 0.000 0.507 484 L N -0.066 121.175 121.223 0.031 0.000 1.957 484 L HA -0.384 3.956 4.340 0.001 0.000 0.228 484 L C 2.802 179.677 176.870 0.009 0.000 1.086 484 L CA 1.808 56.667 54.840 0.030 0.000 0.796 484 L CB -1.482 40.681 42.059 0.173 0.000 0.900 484 L HN 0.311 nan 8.230 nan 0.000 0.439 485 A N -0.078 122.773 122.820 0.052 0.000 1.915 485 A HA -0.272 4.048 4.320 0.001 0.000 0.220 485 A C 2.256 179.423 177.584 -0.696 0.000 1.198 485 A CA 2.343 54.043 52.037 -0.562 0.000 0.647 485 A CB -1.077 17.653 19.000 -0.449 0.000 0.825 485 A HN 0.417 nan 8.150 nan 0.000 0.456 486 L N -0.377 120.621 121.223 -0.375 0.000 1.970 486 L HA -0.311 4.029 4.340 0.001 0.000 0.212 486 L C 3.062 179.740 176.870 -0.318 0.000 1.071 486 L CA 2.145 56.798 54.840 -0.312 0.000 0.751 486 L CB -0.672 41.284 42.059 -0.171 0.000 0.889 486 L HN 0.776 nan 8.230 nan 0.000 0.432 487 Q N -0.880 118.708 119.800 -0.353 0.000 2.297 487 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 487 Q C -0.030 175.866 176.000 -0.174 0.000 0.962 487 Q CA 1.226 56.851 55.803 -0.298 0.000 0.879 487 Q CB -0.126 28.342 28.738 -0.451 0.000 0.947 487 Q HN 0.390 nan 8.270 nan 0.000 0.462 488 D N 1.767 122.076 120.400 -0.152 0.000 3.071 488 D HA 0.169 4.810 4.640 0.001 0.000 0.259 488 D C -0.761 175.514 176.300 -0.041 0.000 1.331 488 D CA 0.099 54.086 54.000 -0.021 0.000 0.861 488 D CB 0.573 41.484 40.800 0.185 0.000 1.059 488 D HN 0.313 nan 8.370 nan 0.000 0.486 489 S N -2.393 113.243 115.700 -0.107 0.000 2.588 489 S HA 0.702 5.173 4.470 0.001 0.000 0.269 489 S C 0.496 175.076 174.600 -0.035 0.000 1.157 489 S CA -0.965 57.205 58.200 -0.049 0.000 0.824 489 S CB 1.355 64.422 63.200 -0.223 0.000 1.126 489 S HN 0.078 nan 8.310 nan 0.000 0.464 490 G N 0.098 108.906 108.800 0.014 0.000 2.527 490 G HA2 0.367 4.327 3.960 0.001 0.000 0.279 490 G HA3 0.367 4.327 3.960 0.001 0.000 0.279 490 G C 0.644 175.541 174.900 -0.005 0.000 1.374 490 G CA -0.642 44.464 45.100 0.010 0.000 1.053 490 G HN 0.806 nan 8.290 nan 0.000 0.539 491 L N -0.757 120.469 121.223 0.005 0.000 2.465 491 L HA 0.139 4.479 4.340 0.001 0.000 0.224 491 L C 0.798 177.677 176.870 0.014 0.000 1.145 491 L CA 0.877 55.721 54.840 0.006 0.000 0.834 491 L CB -0.209 41.859 42.059 0.014 0.000 0.944 491 L HN 0.424 nan 8.230 nan 0.000 0.451 492 E N 0.040 120.252 120.200 0.020 0.000 2.255 492 E HA 0.446 4.797 4.350 0.001 0.000 0.256 492 E C -1.369 175.257 176.600 0.044 0.000 0.887 492 E CA -0.161 56.258 56.400 0.033 0.000 0.782 492 E CB 2.949 32.669 29.700 0.033 0.000 1.214 492 E HN -0.145 nan 8.360 nan 0.000 0.417 493 V N 3.113 123.057 119.914 0.050 0.000 2.971 493 V HA 0.478 4.598 4.120 0.001 0.000 0.309 493 V C -1.699 174.457 176.094 0.102 0.000 1.130 493 V CA -0.699 61.642 62.300 0.068 0.000 0.964 493 V CB 2.393 34.211 31.823 -0.008 0.000 1.029 493 V HN 0.573 nan 8.190 nan 0.000 0.427 494 N N 5.578 124.359 118.700 0.135 0.000 2.476 494 N HA 0.550 5.290 4.740 0.001 0.000 0.257 494 N C -0.826 174.763 175.510 0.132 0.000 0.970 494 N CA -0.138 53.010 53.050 0.164 0.000 0.938 494 N CB 1.497 40.048 38.487 0.107 0.000 1.144 494 N HN 0.644 nan 8.380 nan 0.000 0.500 495 I N 1.144 121.775 120.570 0.101 0.000 2.437 495 I HA 0.438 4.609 4.170 0.001 0.000 0.298 495 I C -0.028 176.084 176.117 -0.009 0.000 0.984 495 I CA -1.010 60.316 61.300 0.044 0.000 1.214 495 I CB 1.817 39.826 38.000 0.015 0.000 1.365 495 I HN -0.077 nan 8.210 nan 0.000 0.469 496 V N 4.124 123.982 119.914 -0.094 0.000 2.488 496 V HA 0.351 4.471 4.120 0.001 0.000 0.293 496 V C -0.193 175.859 176.094 -0.071 0.000 1.027 496 V CA -0.267 61.944 62.300 -0.148 0.000 0.862 496 V CB 2.015 33.573 31.823 -0.442 0.000 1.008 496 V HN 0.875 nan 8.190 nan 0.000 0.428 497 T N 1.666 116.216 114.554 -0.007 0.000 2.924 497 T HA 0.443 4.793 4.350 0.001 0.000 0.291 497 T C 0.155 174.820 174.700 -0.059 0.000 1.045 497 T CA -0.431 61.693 62.100 0.041 0.000 1.015 497 T CB 1.688 70.636 68.868 0.133 0.000 1.103 497 T HN 0.795 nan 8.240 nan 0.000 0.496 498 D N 0.886 121.270 120.400 -0.027 0.000 2.368 498 D HA 0.170 4.810 4.640 0.001 0.000 0.218 498 D C 0.305 176.789 176.300 0.307 0.000 1.112 498 D CA -0.152 53.786 54.000 -0.103 0.000 0.834 498 D CB 0.126 40.880 40.800 -0.077 0.000 0.953 498 D HN 0.218 nan 8.370 nan 0.000 0.505 499 S N 0.579 116.506 115.700 0.378 0.000 2.434 499 S HA 0.109 4.580 4.470 0.001 0.000 0.318 499 S C 1.098 175.928 174.600 0.384 0.000 1.062 499 S CA -0.565 57.859 58.200 0.374 0.000 1.116 499 S CB 0.784 64.149 63.200 0.275 0.000 0.977 499 S HN 0.096 nan 8.310 nan 0.000 0.480 500 Q N 3.394 123.377 119.800 0.304 0.000 2.226 500 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 500 Q C 1.197 177.199 176.000 0.003 0.000 0.975 500 Q CA 1.330 57.089 55.803 -0.072 0.000 0.866 500 Q CB -0.345 28.240 28.738 -0.256 0.000 0.915 500 Q HN 0.918 nan 8.270 nan 0.000 0.440 501 Y N 1.995 122.302 120.300 0.012 0.000 2.034 501 Y HA -0.303 4.247 4.550 0.001 0.000 0.269 501 Y C 2.557 178.474 175.900 0.029 0.000 1.125 501 Y CA 1.946 60.058 58.100 0.020 0.000 1.097 501 Y CB -0.658 37.830 38.460 0.047 0.000 0.978 501 Y HN 0.082 nan 8.280 nan 0.000 0.480 502 A N 0.275 123.245 122.820 0.249 0.000 1.948 502 A HA -0.255 4.066 4.320 0.001 0.000 0.220 502 A C 2.273 179.857 177.584 -0.001 0.000 1.177 502 A CA 2.022 54.127 52.037 0.114 0.000 0.636 502 A CB -1.398 17.733 19.000 0.219 0.000 0.815 502 A HN 0.687 nan 8.150 nan 0.000 0.449 503 L N -0.336 120.908 121.223 0.035 0.000 2.093 503 L HA 0.035 4.375 4.340 0.001 0.000 0.208 503 L C 2.358 179.189 176.870 -0.066 0.000 1.085 503 L CA 2.027 56.868 54.840 0.002 0.000 0.755 503 L CB -0.787 41.277 42.059 0.009 0.000 0.904 503 L HN 0.297 nan 8.230 nan 0.000 0.435 504 G N 0.400 109.119 108.800 -0.134 0.000 2.545 504 G HA2 -0.294 3.666 3.960 0.001 0.000 0.217 504 G HA3 -0.294 3.666 3.960 0.001 0.000 0.217 504 G C 1.548 176.425 174.900 -0.039 0.000 1.218 504 G CA 1.415 46.434 45.100 -0.136 0.000 0.787 504 G HN 0.467 nan 8.290 nan 0.000 0.571 505 I N 1.062 121.545 120.570 -0.144 0.000 2.087 505 I HA -0.224 3.946 4.170 0.001 0.000 0.240 505 I C 2.678 178.790 176.117 -0.009 0.000 1.054 505 I CA 1.152 62.374 61.300 -0.131 0.000 1.311 505 I CB -0.375 37.392 38.000 -0.387 0.000 1.024 505 I HN 0.121 nan 8.210 nan 0.000 0.402 506 I N 0.294 120.860 120.570 -0.007 0.000 2.454 506 I HA -0.264 3.907 4.170 0.001 0.000 0.254 506 I C 2.430 178.634 176.117 0.145 0.000 1.156 506 I CA 1.490 62.837 61.300 0.077 0.000 1.433 506 I CB -0.956 37.080 38.000 0.061 0.000 1.082 506 I HN 0.399 nan 8.210 nan 0.000 0.432 507 Q N 0.956 120.837 119.800 0.136 0.000 2.331 507 Q HA 0.108 4.448 4.340 0.001 0.000 0.203 507 Q C 2.208 178.385 176.000 0.296 0.000 0.944 507 Q CA 1.084 56.996 55.803 0.181 0.000 0.892 507 Q CB 0.071 28.895 28.738 0.144 0.000 0.983 507 Q HN 0.440 nan 8.270 nan 0.000 0.482 508 A N 0.020 123.043 122.820 0.339 0.000 1.930 508 A HA -0.147 4.173 4.320 0.001 0.000 0.217 508 A C 0.843 178.589 177.584 0.271 0.000 1.175 508 A CA 1.330 53.601 52.037 0.390 0.000 0.627 508 A CB -0.173 19.060 19.000 0.389 0.000 0.815 508 A HN 0.504 nan 8.150 nan 0.000 0.443 509 Q N -2.021 117.910 119.800 0.218 0.000 2.433 509 Q HA -0.084 4.256 4.340 0.001 0.000 0.281 509 Q C -2.533 173.581 176.000 0.189 0.000 1.201 509 Q CA 0.308 56.195 55.803 0.141 0.000 0.824 509 Q CB -1.353 27.362 28.738 -0.038 0.000 1.193 509 Q HN 0.548 nan 8.270 nan 0.000 0.455 510 P HA -0.006 nan 4.420 nan 0.000 0.269 510 P C -0.112 177.339 177.300 0.252 0.000 1.215 510 P CA 0.812 64.035 63.100 0.204 0.000 0.780 510 P CB 0.718 32.532 31.700 0.191 0.000 0.898 511 D N -0.017 120.498 120.400 0.192 0.000 2.479 511 D HA 0.094 4.735 4.640 0.001 0.000 0.216 511 D C -0.079 176.244 176.300 0.038 0.000 1.110 511 D CA 0.473 54.563 54.000 0.151 0.000 0.841 511 D CB 0.208 41.138 40.800 0.215 0.000 1.040 511 D HN 0.272 nan 8.370 nan 0.000 0.505 512 K N -0.294 120.147 120.400 0.069 0.000 2.426 512 K HA 0.678 4.998 4.320 0.001 0.000 0.251 512 K C -1.228 175.429 176.600 0.095 0.000 0.941 512 K CA -0.925 55.389 56.287 0.045 0.000 0.808 512 K CB 2.614 35.136 32.500 0.038 0.000 1.265 512 K HN -0.010 nan 8.250 nan 0.000 0.432 513 S N 0.483 116.237 115.700 0.090 0.000 2.556 513 S HA 0.174 4.644 4.470 0.001 0.000 0.271 513 S C 0.274 174.932 174.600 0.098 0.000 1.135 513 S CA -0.636 57.665 58.200 0.169 0.000 0.858 513 S CB 1.315 64.694 63.200 0.298 0.000 1.114 513 S HN 0.614 nan 8.310 nan 0.000 0.468 514 E N 1.561 121.802 120.200 0.069 0.000 2.023 514 E HA -0.061 4.289 4.350 0.001 0.000 0.196 514 E C 0.918 177.551 176.600 0.056 0.000 1.003 514 E CA 1.026 57.442 56.400 0.027 0.000 0.809 514 E CB -0.722 28.964 29.700 -0.024 0.000 0.755 514 E HN 0.525 nan 8.360 nan 0.000 0.449 515 S N 0.793 116.559 115.700 0.111 0.000 2.549 515 S HA -0.012 4.459 4.470 0.001 0.000 0.283 515 S C 1.055 175.675 174.600 0.033 0.000 1.320 515 S CA -0.201 58.049 58.200 0.083 0.000 1.058 515 S CB 1.218 64.495 63.200 0.129 0.000 0.882 515 S HN 0.140 nan 8.310 nan 0.000 0.498 516 E N 4.258 124.456 120.200 -0.003 0.000 2.077 516 E HA -0.127 4.223 4.350 0.001 0.000 0.193 516 E C 1.681 178.231 176.600 -0.084 0.000 0.989 516 E CA 1.434 57.810 56.400 -0.040 0.000 0.800 516 E CB -0.481 29.191 29.700 -0.046 0.000 0.746 516 E HN 0.622 nan 8.360 nan 0.000 0.452 517 L N 0.320 121.488 121.223 -0.091 0.000 1.990 517 L HA -0.169 4.171 4.340 0.001 0.000 0.213 517 L C 2.336 179.106 176.870 -0.167 0.000 1.072 517 L CA 1.964 56.701 54.840 -0.171 0.000 0.755 517 L CB -1.059 40.933 42.059 -0.112 0.000 0.889 517 L HN 0.183 nan 8.230 nan 0.000 0.432 518 V N 0.508 120.376 119.914 -0.076 0.000 2.392 518 V HA -0.317 3.803 4.120 0.001 0.000 0.249 518 V C 2.479 178.527 176.094 -0.077 0.000 1.059 518 V CA 1.858 64.110 62.300 -0.079 0.000 1.051 518 V CB -1.164 30.615 31.823 -0.074 0.000 0.658 518 V HN 0.531 nan 8.190 nan 0.000 0.455 519 N N 0.412 119.072 118.700 -0.066 0.000 2.043 519 N HA -0.224 4.516 4.740 0.001 0.000 0.193 519 N C 1.985 177.437 175.510 -0.097 0.000 1.037 519 N CA 1.803 54.810 53.050 -0.071 0.000 0.851 519 N CB -0.359 38.091 38.487 -0.060 0.000 1.027 519 N HN 0.617 nan 8.380 nan 0.000 0.422 520 Q N 0.517 120.223 119.800 -0.157 0.000 2.112 520 Q HA -0.080 4.260 4.340 0.001 0.000 0.206 520 Q C 2.216 178.202 176.000 -0.023 0.000 0.987 520 Q CA 1.096 56.795 55.803 -0.172 0.000 0.858 520 Q CB -0.147 28.256 28.738 -0.559 0.000 0.905 520 Q HN 0.429 nan 8.270 nan 0.000 0.420 521 I N 0.417 120.936 120.570 -0.084 0.000 2.179 521 I HA -0.270 3.900 4.170 0.001 0.000 0.242 521 I C 2.111 178.194 176.117 -0.056 0.000 1.088 521 I CA 0.766 62.089 61.300 0.038 0.000 1.357 521 I CB -0.327 37.673 38.000 -0.000 0.000 1.051 521 I HN 0.246 nan 8.210 nan 0.000 0.409 522 I N 0.366 120.874 120.570 -0.102 0.000 2.151 522 I HA -0.300 3.870 4.170 0.001 0.000 0.243 522 I C 2.601 178.608 176.117 -0.183 0.000 1.080 522 I CA 1.638 62.832 61.300 -0.177 0.000 1.339 522 I CB -1.236 36.701 38.000 -0.104 0.000 1.039 522 I HN 0.372 nan 8.210 nan 0.000 0.409 523 E N 0.951 121.090 120.200 -0.101 0.000 2.021 523 E HA -0.248 4.103 4.350 0.001 0.000 0.200 523 E C 2.149 178.710 176.600 -0.065 0.000 1.015 523 E CA 1.506 57.861 56.400 -0.075 0.000 0.824 523 E CB -0.156 29.526 29.700 -0.030 0.000 0.762 523 E HN 0.427 nan 8.360 nan 0.000 0.454 524 Q N 0.256 120.049 119.800 -0.011 0.000 2.173 524 Q HA -0.173 4.167 4.340 0.001 0.000 0.208 524 Q C 2.539 178.485 176.000 -0.089 0.000 0.989 524 Q CA 0.981 56.768 55.803 -0.026 0.000 0.872 524 Q CB -0.479 28.268 28.738 0.015 0.000 0.909 524 Q HN 0.363 nan 8.270 nan 0.000 0.420 525 L N 0.031 121.151 121.223 -0.171 0.000 2.017 525 L HA -0.169 4.171 4.340 0.001 0.000 0.208 525 L C 2.458 179.203 176.870 -0.208 0.000 1.073 525 L CA 1.093 55.769 54.840 -0.274 0.000 0.745 525 L CB -0.381 41.292 42.059 -0.644 0.000 0.894 525 L HN 0.231 nan 8.230 nan 0.000 0.432 526 I N -0.837 119.616 120.570 -0.195 0.000 2.546 526 I HA -0.233 3.937 4.170 0.001 0.000 0.255 526 I C 2.305 178.442 176.117 0.033 0.000 1.163 526 I CA 1.216 62.514 61.300 -0.003 0.000 1.457 526 I CB -0.106 37.946 38.000 0.087 0.000 1.092 526 I HN 0.168 nan 8.210 nan 0.000 0.434 527 K N 1.150 121.545 120.400 -0.007 0.000 2.280 527 K HA -0.073 4.247 4.320 0.001 0.000 0.202 527 K C 0.475 177.081 176.600 0.010 0.000 1.047 527 K CA 0.687 56.977 56.287 0.004 0.000 0.942 527 K CB -0.043 32.449 32.500 -0.013 0.000 0.739 527 K HN 0.333 nan 8.250 nan 0.000 0.457 528 K N 0.831 121.234 120.400 0.004 0.000 2.126 528 K HA 0.073 4.393 4.320 0.001 0.000 0.257 528 K C 0.890 177.517 176.600 0.044 0.000 1.007 528 K CA 0.084 56.380 56.287 0.014 0.000 0.928 528 K CB 0.987 33.488 32.500 0.002 0.000 1.013 528 K HN 0.059 nan 8.250 nan 0.000 0.473 529 E N 1.279 121.503 120.200 0.041 0.000 2.057 529 E HA -0.032 4.318 4.350 0.001 0.000 0.190 529 E C -0.258 176.380 176.600 0.063 0.000 0.969 529 E CA 1.001 57.431 56.400 0.050 0.000 0.812 529 E CB 0.344 30.067 29.700 0.038 0.000 0.777 529 E HN 0.316 nan 8.360 nan 0.000 0.455 530 K N 0.954 121.390 120.400 0.060 0.000 2.578 530 K HA 0.412 4.733 4.320 0.001 0.000 0.250 530 K C -1.514 175.137 176.600 0.085 0.000 0.955 530 K CA -0.301 56.030 56.287 0.074 0.000 0.825 530 K CB 2.869 35.405 32.500 0.060 0.000 1.151 530 K HN -0.157 nan 8.250 nan 0.000 0.432 531 V N 3.321 123.302 119.914 0.113 0.000 2.656 531 V HA 0.385 4.505 4.120 0.001 0.000 0.307 531 V C -1.470 174.730 176.094 0.177 0.000 1.051 531 V CA -0.911 61.461 62.300 0.120 0.000 0.893 531 V CB 1.600 33.479 31.823 0.093 0.000 0.999 531 V HN 0.701 nan 8.190 nan 0.000 0.426 532 Y N 5.674 125.997 120.300 0.040 0.000 2.329 532 Y HA 0.726 5.277 4.550 0.001 0.000 0.328 532 Y C -1.166 174.756 175.900 0.037 0.000 0.992 532 Y CA -0.889 57.236 58.100 0.041 0.000 1.151 532 Y CB 1.675 40.154 38.460 0.030 0.000 1.150 532 Y HN 0.624 nan 8.280 nan 0.000 0.450 533 L N 6.292 127.278 121.223 -0.396 0.000 2.295 533 L HA 0.945 5.285 4.340 0.001 0.000 0.285 533 L C -0.978 175.661 176.870 -0.386 0.000 1.035 533 L CA -0.167 54.522 54.840 -0.251 0.000 0.806 533 L CB 1.067 43.068 42.059 -0.098 0.000 1.214 533 L HN 0.758 nan 8.230 nan 0.000 0.426 534 A N 4.256 127.001 122.820 -0.124 0.000 2.454 534 A HA 0.712 5.032 4.320 0.001 0.000 0.302 534 A C -2.048 175.606 177.584 0.116 0.000 1.079 534 A CA -0.549 51.485 52.037 -0.004 0.000 0.731 534 A CB 0.898 19.983 19.000 0.142 0.000 1.299 534 A HN 0.841 nan 8.150 nan 0.000 0.413 535 W N 1.535 122.823 121.300 -0.021 0.000 2.781 535 W HA 0.651 5.311 4.660 0.000 0.000 0.345 535 W C -1.115 175.421 176.519 0.027 0.000 1.085 535 W CA -0.332 57.013 57.345 0.001 0.000 1.198 535 W CB 2.031 31.483 29.460 -0.012 0.000 1.423 535 W HN 1.068 nan 8.180 nan 0.000 0.532 536 V N 2.117 121.316 119.914 -1.192 0.000 3.147 536 V HA 0.656 4.776 4.120 0.001 0.000 0.299 536 V C -2.793 172.393 176.094 -1.514 0.000 1.302 536 V CA -2.571 59.102 62.300 -1.045 0.000 1.015 536 V CB 1.664 33.241 31.823 -0.410 0.000 1.086 536 V HN 0.511 nan 8.190 nan 0.000 0.437 537 P HA 0.322 nan 4.420 nan 0.000 0.271 537 P C 0.104 177.275 177.300 -0.215 0.000 1.220 537 P CA 0.528 63.340 63.100 -0.480 0.000 0.768 537 P CB 1.022 32.638 31.700 -0.140 0.000 0.848 538 A N 3.625 126.413 122.820 -0.053 0.000 2.520 538 A HA 0.042 4.362 4.320 0.001 0.000 0.235 538 A C 0.384 178.093 177.584 0.209 0.000 1.065 538 A CA 0.387 52.479 52.037 0.093 0.000 0.764 538 A CB -1.062 18.140 19.000 0.336 0.000 1.002 538 A HN 0.792 nan 8.150 nan 0.000 0.502 539 H N -0.605 118.450 119.070 -0.026 0.000 2.992 539 H HA -0.097 4.459 4.556 0.001 0.000 0.266 539 H C 0.489 175.807 175.328 -0.016 0.000 1.200 539 H CA 1.265 57.305 56.048 -0.014 0.000 1.135 539 H CB -1.116 28.646 29.762 -0.000 0.000 1.282 539 H HN 0.621 nan 8.280 nan 0.000 0.351 540 K N 0.007 120.431 120.400 0.041 0.000 2.372 540 K HA 0.346 4.666 4.320 0.001 0.000 0.200 540 K C 1.569 178.165 176.600 -0.008 0.000 1.022 540 K CA 0.702 56.999 56.287 0.018 0.000 1.125 540 K CB 0.499 32.999 32.500 -0.000 0.000 0.855 540 K HN 0.550 nan 8.250 nan 0.000 0.524 541 G N 2.174 110.957 108.800 -0.029 0.000 2.179 541 G HA2 -0.281 3.679 3.960 0.001 0.000 0.257 541 G HA3 -0.281 3.679 3.960 0.001 0.000 0.257 541 G C 0.175 175.047 174.900 -0.046 0.000 1.010 541 G CA -0.039 45.037 45.100 -0.041 0.000 0.736 541 G HN 0.350 nan 8.290 nan 0.000 0.513 542 I N 1.652 122.193 120.570 -0.048 0.000 2.668 542 I HA 0.251 4.421 4.170 0.001 0.000 0.285 542 I C 1.665 177.749 176.117 -0.055 0.000 1.168 542 I CA 0.570 61.846 61.300 -0.039 0.000 1.424 542 I CB 0.548 38.528 38.000 -0.034 0.000 1.377 542 I HN 0.232 nan 8.210 nan 0.000 0.560 543 G N 4.387 113.145 108.800 -0.069 0.000 2.265 543 G HA2 0.318 4.278 3.960 0.001 0.000 0.240 543 G HA3 0.318 4.278 3.960 0.001 0.000 0.240 543 G C 0.890 175.610 174.900 -0.300 0.000 1.270 543 G CA 0.388 45.400 45.100 -0.146 0.000 0.901 543 G HN 1.131 nan 8.290 nan 0.000 0.507 544 G N 2.498 111.031 108.800 -0.446 0.000 3.642 544 G HA2 -0.373 3.587 3.960 0.001 0.000 0.205 544 G HA3 -0.373 3.587 3.960 0.001 0.000 0.205 544 G C 1.584 176.295 174.900 -0.315 0.000 1.526 544 G CA 0.869 45.422 45.100 -0.911 0.000 1.097 544 G HN 0.885 nan 8.290 nan 0.000 0.596 545 N N 1.576 120.283 118.700 0.013 0.000 2.091 545 N HA -0.202 4.539 4.740 0.001 0.000 0.193 545 N C 1.941 177.426 175.510 -0.042 0.000 1.021 545 N CA 2.310 55.405 53.050 0.075 0.000 0.862 545 N CB -0.228 38.286 38.487 0.046 0.000 1.018 545 N HN 0.737 nan 8.380 nan 0.000 0.429 546 E N 0.056 120.202 120.200 -0.089 0.000 2.051 546 E HA -0.231 4.119 4.350 0.001 0.000 0.192 546 E C 1.969 178.516 176.600 -0.088 0.000 0.991 546 E CA 1.257 57.596 56.400 -0.101 0.000 0.799 546 E CB 0.065 29.707 29.700 -0.096 0.000 0.748 546 E HN 0.424 nan 8.360 nan 0.000 0.449 547 Q N 0.072 119.814 119.800 -0.095 0.000 2.020 547 Q HA -0.141 4.199 4.340 0.001 0.000 0.202 547 Q C 2.314 178.290 176.000 -0.040 0.000 0.982 547 Q CA 1.854 57.613 55.803 -0.074 0.000 0.838 547 Q CB -0.324 28.357 28.738 -0.095 0.000 0.899 547 Q HN 0.194 nan 8.270 nan 0.000 0.423 548 V N 1.158 121.064 119.914 -0.014 0.000 2.324 548 V HA -0.318 3.802 4.120 0.001 0.000 0.250 548 V C 1.877 177.975 176.094 0.006 0.000 1.060 548 V CA 2.114 64.433 62.300 0.030 0.000 1.042 548 V CB -0.817 31.064 31.823 0.096 0.000 0.650 548 V HN 0.411 nan 8.190 nan 0.000 0.450 549 D N 0.186 120.572 120.400 -0.024 0.000 2.092 549 D HA -0.231 4.410 4.640 0.001 0.000 0.193 549 D C 2.240 178.515 176.300 -0.042 0.000 0.994 549 D CA 1.800 55.770 54.000 -0.051 0.000 0.828 549 D CB -0.221 40.499 40.800 -0.133 0.000 0.963 549 D HN 0.361 nan 8.370 nan 0.000 0.450 550 K N -0.338 120.033 120.400 -0.048 0.000 2.074 550 K HA -0.157 4.164 4.320 0.001 0.000 0.209 550 K C 2.338 178.926 176.600 -0.020 0.000 1.048 550 K CA 1.010 57.277 56.287 -0.033 0.000 0.926 550 K CB -0.244 32.234 32.500 -0.037 0.000 0.713 550 K HN 0.218 nan 8.250 nan 0.000 0.444 551 L N 0.314 121.526 121.223 -0.018 0.000 1.970 551 L HA -0.122 4.218 4.340 0.001 0.000 0.212 551 L C 1.300 178.163 176.870 -0.010 0.000 1.071 551 L CA 0.865 55.697 54.840 -0.014 0.000 0.751 551 L CB -0.161 41.891 42.059 -0.012 0.000 0.889 551 L HN 0.076 nan 8.230 nan 0.000 0.432 552 V N -0.831 119.080 119.914 -0.005 0.000 2.313 552 V HA 0.170 4.290 4.120 0.001 0.000 0.252 552 V C 0.499 176.595 176.094 0.005 0.000 1.112 552 V CA 0.700 63.000 62.300 0.001 0.000 0.984 552 V CB 0.678 32.507 31.823 0.009 0.000 1.157 552 V HN 0.401 nan 8.190 nan 0.000 0.493 553 S N 3.680 119.383 115.700 0.004 0.000 2.342 553 S HA 0.178 4.648 4.470 0.001 0.000 0.229 553 S C 1.534 176.140 174.600 0.009 0.000 0.900 553 S CA 0.357 58.563 58.200 0.010 0.000 1.610 553 S CB -0.145 63.060 63.200 0.007 0.000 1.250 553 S HN 1.067 nan 8.310 nan 0.000 0.610 554 A N 1.095 123.917 122.820 0.004 0.000 2.285 554 A HA 0.191 4.511 4.320 0.001 0.000 0.214 554 A C 1.804 179.391 177.584 0.006 0.000 1.188 554 A CA 1.731 53.770 52.037 0.004 0.000 0.707 554 A CB -0.775 18.225 19.000 0.000 0.000 0.771 554 A HN 0.568 nan 8.150 nan 0.000 0.488 555 G N -0.505 108.300 108.800 0.009 0.000 2.486 555 G HA2 0.257 4.218 3.960 0.001 0.000 0.210 555 G HA3 0.257 4.218 3.960 0.001 0.000 0.210 555 G C 0.803 175.712 174.900 0.015 0.000 1.168 555 G CA 0.197 45.303 45.100 0.011 0.000 0.820 555 G HN 0.435 nan 8.290 nan 0.000 0.544 556 I N 0.000 120.583 120.570 0.021 0.000 2.984 556 I HA 0.000 4.170 4.170 0.001 0.000 0.288 556 I CA 0.000 61.317 61.300 0.028 0.000 1.566 556 I CB 0.000 38.028 38.000 0.047 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494