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 1lwe_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE LEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKXXSTK XXKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSXXXXXX XIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLYTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.368 177.300 0.113 0.000 1.155 1 P CA 0.000 63.158 63.100 0.096 0.000 0.800 1 P CB 0.000 31.764 31.700 0.106 0.000 0.726 2 I N 0.494 121.121 120.570 0.095 0.000 2.813 2 I HA 0.311 4.480 4.170 -0.001 0.000 0.287 2 I C 0.870 177.057 176.117 0.117 0.000 1.196 2 I CA 0.307 61.669 61.300 0.104 0.000 1.421 2 I CB 0.173 38.222 38.000 0.082 0.000 1.365 2 I HN -0.080 nan 8.210 nan 0.000 0.591 3 S N 5.217 120.998 115.700 0.135 0.000 2.608 3 S HA 0.568 5.037 4.470 -0.001 0.000 0.291 3 S C -1.767 172.933 174.600 0.167 0.000 1.146 3 S CA -0.765 57.539 58.200 0.173 0.000 1.043 3 S CB 1.402 64.717 63.200 0.192 0.000 1.037 3 S HN 0.662 nan 8.310 nan 0.000 0.520 4 P HA 0.315 nan 4.420 nan 0.000 0.266 4 P C -0.380 177.116 177.300 0.326 0.000 1.561 4 P CA -0.115 63.098 63.100 0.189 0.000 1.089 4 P CB -0.074 31.657 31.700 0.051 0.000 1.534 5 I N 0.770 121.524 120.570 0.307 0.000 2.395 5 I HA 0.244 4.414 4.170 -0.001 0.000 0.289 5 I C 0.543 176.737 176.117 0.129 0.000 1.023 5 I CA -0.991 60.443 61.300 0.222 0.000 1.350 5 I CB 0.679 38.739 38.000 0.101 0.000 1.409 5 I HN -0.210 nan 8.210 nan 0.000 0.507 6 E N 4.352 124.616 120.200 0.107 0.000 2.492 6 E HA 0.049 4.399 4.350 -0.001 0.000 0.266 6 E C -0.323 176.310 176.600 0.056 0.000 1.047 6 E CA 0.428 56.873 56.400 0.076 0.000 0.968 6 E CB 0.422 30.159 29.700 0.061 0.000 0.960 6 E HN 0.700 nan 8.360 nan 0.000 0.452 7 T N -0.526 114.062 114.554 0.056 0.000 2.912 7 T HA 0.562 4.912 4.350 -0.001 0.000 0.280 7 T C -0.245 174.483 174.700 0.047 0.000 0.989 7 T CA -1.030 61.100 62.100 0.051 0.000 0.995 7 T CB 1.139 70.043 68.868 0.060 0.000 1.077 7 T HN 0.173 nan 8.240 nan 0.000 0.531 8 V N 3.237 123.181 119.914 0.050 0.000 2.370 8 V HA 0.397 4.517 4.120 -0.001 0.000 0.279 8 V C -1.988 174.153 176.094 0.078 0.000 1.029 8 V CA -2.014 60.322 62.300 0.059 0.000 0.870 8 V CB 0.810 32.672 31.823 0.066 0.000 0.984 8 V HN 0.844 nan 8.190 nan 0.000 0.451 9 P HA 0.239 nan 4.420 nan 0.000 0.267 9 P C -0.761 176.583 177.300 0.073 0.000 1.205 9 P CA 0.215 63.361 63.100 0.077 0.000 0.765 9 P CB 1.385 33.122 31.700 0.061 0.000 0.828 10 V N 3.922 123.880 119.914 0.074 0.000 3.126 10 V HA 0.608 4.728 4.120 -0.001 0.000 0.314 10 V C 0.121 176.255 176.094 0.065 0.000 1.138 10 V CA -0.687 61.608 62.300 -0.009 0.000 1.034 10 V CB 2.393 34.070 31.823 -0.242 0.000 1.075 10 V HN 0.529 nan 8.190 nan 0.000 0.442 11 K N 1.089 121.494 120.400 0.009 0.000 2.575 11 K HA 0.637 4.957 4.320 -0.001 0.000 0.279 11 K C -1.927 174.725 176.600 0.086 0.000 0.969 11 K CA -0.839 55.524 56.287 0.127 0.000 0.868 11 K CB 2.328 34.865 32.500 0.062 0.000 1.457 11 K HN 0.350 nan 8.250 nan 0.000 0.426 12 L N 1.795 123.083 121.223 0.109 0.000 2.399 12 L HA 0.364 4.704 4.340 -0.001 0.000 0.266 12 L C 0.254 177.124 176.870 -0.001 0.000 1.114 12 L CA -0.521 54.348 54.840 0.047 0.000 0.804 12 L CB 0.395 42.418 42.059 -0.059 0.000 1.146 12 L HN 0.363 nan 8.230 nan 0.000 0.451 13 K N 2.372 122.764 120.400 -0.013 0.000 2.542 13 K HA 0.017 4.337 4.320 -0.001 0.000 0.276 13 K C -2.176 174.418 176.600 -0.009 0.000 0.963 13 K CA -1.021 55.252 56.287 -0.023 0.000 0.975 13 K CB -0.250 32.241 32.500 -0.016 0.000 0.901 13 K HN 0.383 nan 8.250 nan 0.000 0.506 14 P HA -0.096 nan 4.420 nan 0.000 0.268 14 P C 0.671 177.976 177.300 0.009 0.000 1.204 14 P CA 0.694 63.795 63.100 0.002 0.000 0.768 14 P CB 0.962 32.661 31.700 -0.001 0.000 0.842 15 G N 2.395 111.205 108.800 0.017 0.000 2.498 15 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.229 15 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.229 15 G C 0.532 175.447 174.900 0.025 0.000 1.156 15 G CA 0.144 45.257 45.100 0.022 0.000 0.680 15 G HN 0.471 nan 8.290 nan 0.000 0.512 16 M N 0.961 120.571 119.600 0.016 0.000 2.150 16 M HA 0.488 4.968 4.480 -0.001 0.000 0.278 16 M C 0.233 176.535 176.300 0.003 0.000 1.213 16 M CA 0.848 56.156 55.300 0.012 0.000 1.147 16 M CB 0.194 32.796 32.600 0.003 0.000 1.371 16 M HN 0.505 nan 8.290 nan 0.000 0.444 17 D N -1.107 119.289 120.400 -0.006 0.000 2.654 17 D HA 0.449 5.088 4.640 -0.001 0.000 0.231 17 D C -0.407 175.846 176.300 -0.079 0.000 1.239 17 D CA -0.159 53.831 54.000 -0.017 0.000 0.790 17 D CB 1.141 42.004 40.800 0.104 0.000 1.480 17 D HN 0.759 nan 8.370 nan 0.000 0.442 18 G N 1.682 110.299 108.800 -0.305 0.000 2.614 18 G HA2 0.253 4.212 3.960 -0.001 0.000 0.229 18 G HA3 0.253 4.212 3.960 -0.001 0.000 0.229 18 G C -2.289 172.614 174.900 0.006 0.000 1.232 18 G CA -0.524 44.252 45.100 -0.540 0.000 0.857 18 G HN 0.411 nan 8.290 nan 0.000 0.560 19 P HA 0.311 nan 4.420 nan 0.000 0.277 19 P C -0.307 177.203 177.300 0.350 0.000 1.240 19 P CA -0.192 63.029 63.100 0.202 0.000 0.798 19 P CB 0.901 32.702 31.700 0.168 0.000 0.979 20 K N 0.877 121.427 120.400 0.249 0.000 3.350 20 K HA 0.251 4.570 4.320 -0.001 0.000 0.181 20 K C -1.058 175.620 176.600 0.131 0.000 1.064 20 K CA -0.290 56.117 56.287 0.200 0.000 0.839 20 K CB 0.760 33.352 32.500 0.153 0.000 0.819 20 K HN 0.155 nan 8.250 nan 0.000 0.523 21 V N 2.452 122.446 119.914 0.132 0.000 2.583 21 V HA 0.050 4.169 4.120 -0.001 0.000 0.287 21 V C 0.571 176.727 176.094 0.103 0.000 1.051 21 V CA -0.743 61.622 62.300 0.109 0.000 1.010 21 V CB 0.400 32.291 31.823 0.114 0.000 0.988 21 V HN 0.458 nan 8.190 nan 0.000 0.478 22 K N 3.770 124.221 120.400 0.084 0.000 2.218 22 K HA 0.137 4.456 4.320 -0.001 0.000 0.250 22 K C -0.219 176.457 176.600 0.126 0.000 1.024 22 K CA 0.002 56.333 56.287 0.074 0.000 0.842 22 K CB 0.206 32.722 32.500 0.026 0.000 1.041 22 K HN 0.633 nan 8.250 nan 0.000 0.522 23 Q N -0.099 119.777 119.800 0.127 0.000 2.309 23 Q HA 0.294 4.633 4.340 -0.001 0.000 0.270 23 Q C -1.740 174.416 176.000 0.260 0.000 1.023 23 Q CA -0.403 55.523 55.803 0.206 0.000 0.758 23 Q CB 0.575 29.397 28.738 0.140 0.000 1.247 23 Q HN 0.544 nan 8.270 nan 0.000 0.455 24 W N 5.466 126.814 121.300 0.081 0.000 2.293 24 W HA 0.119 4.779 4.660 -0.001 0.000 0.342 24 W C -1.484 175.076 176.519 0.069 0.000 1.274 24 W CA -0.704 56.695 57.345 0.091 0.000 1.290 24 W CB 0.282 29.829 29.460 0.144 0.000 1.176 24 W HN 0.559 nan 8.180 nan 0.000 0.570 25 P HA 0.121 nan 4.420 nan 0.000 0.241 25 P C 0.001 177.412 177.300 0.185 0.000 1.783 25 P CA 0.033 63.239 63.100 0.177 0.000 1.052 25 P CB -0.002 31.758 31.700 0.099 0.000 1.594 26 L N 0.421 121.794 121.223 0.249 0.000 2.489 26 L HA 0.024 4.364 4.340 -0.001 0.000 0.285 26 L C 1.515 178.454 176.870 0.115 0.000 1.259 26 L CA 0.493 55.447 54.840 0.190 0.000 0.828 26 L CB 0.161 42.322 42.059 0.170 0.000 1.094 26 L HN 0.116 nan 8.230 nan 0.000 0.524 27 T N 0.045 114.652 114.554 0.088 0.000 2.906 27 T HA -0.110 4.240 4.350 -0.001 0.000 0.329 27 T C 1.136 175.865 174.700 0.049 0.000 1.091 27 T CA 0.383 62.519 62.100 0.059 0.000 1.127 27 T CB 0.397 69.293 68.868 0.045 0.000 1.035 27 T HN 0.801 nan 8.240 nan 0.000 0.547 28 E N 2.015 122.239 120.200 0.039 0.000 2.511 28 E HA -0.062 4.287 4.350 -0.001 0.000 0.196 28 E C 1.637 178.252 176.600 0.025 0.000 1.066 28 E CA 0.646 57.066 56.400 0.032 0.000 0.871 28 E CB -0.049 29.667 29.700 0.027 0.000 0.863 28 E HN 0.877 nan 8.360 nan 0.000 0.520 29 E N 1.589 121.803 120.200 0.023 0.000 2.051 29 E HA -0.210 4.140 4.350 -0.001 0.000 0.192 29 E C 1.389 177.997 176.600 0.014 0.000 0.991 29 E CA 1.099 57.509 56.400 0.016 0.000 0.799 29 E CB 0.188 29.896 29.700 0.014 0.000 0.748 29 E HN 0.127 nan 8.360 nan 0.000 0.449 30 K N 0.512 120.923 120.400 0.018 0.000 2.186 30 K HA 0.009 4.329 4.320 -0.001 0.000 0.202 30 K C 2.318 178.930 176.600 0.019 0.000 1.052 30 K CA 0.430 56.726 56.287 0.015 0.000 0.965 30 K CB -0.393 32.117 32.500 0.017 0.000 0.746 30 K HN 0.295 nan 8.250 nan 0.000 0.457 31 I N 1.508 122.096 120.570 0.029 0.000 2.068 31 I HA -0.357 3.812 4.170 -0.001 0.000 0.238 31 I C 2.035 178.167 176.117 0.024 0.000 1.046 31 I CA 1.549 62.869 61.300 0.033 0.000 1.306 31 I CB -0.342 37.681 38.000 0.037 0.000 1.023 31 I HN 0.073 nan 8.210 nan 0.000 0.399 32 K N 0.777 121.188 120.400 0.018 0.000 2.218 32 K HA -0.174 4.145 4.320 -0.001 0.000 0.205 32 K C 1.983 178.586 176.600 0.005 0.000 1.046 32 K CA 1.452 57.747 56.287 0.012 0.000 0.933 32 K CB -0.429 32.076 32.500 0.009 0.000 0.728 32 K HN 0.446 nan 8.250 nan 0.000 0.454 33 A N 0.343 123.165 122.820 0.003 0.000 1.897 33 A HA -0.079 4.240 4.320 -0.001 0.000 0.215 33 A C 2.007 179.584 177.584 -0.012 0.000 1.181 33 A CA 1.129 53.162 52.037 -0.007 0.000 0.620 33 A CB -0.477 18.518 19.000 -0.007 0.000 0.821 33 A HN 0.186 nan 8.150 nan 0.000 0.443 34 L N -0.474 120.747 121.223 -0.003 0.000 2.027 34 L HA -0.136 4.203 4.340 -0.001 0.000 0.206 34 L C 2.500 179.366 176.870 -0.006 0.000 1.074 34 L CA 1.110 55.946 54.840 -0.007 0.000 0.745 34 L CB -1.092 40.980 42.059 0.021 0.000 0.898 34 L HN 0.203 nan 8.230 nan 0.000 0.433 35 V N 0.338 120.263 119.914 0.019 0.000 2.250 35 V HA -0.369 3.751 4.120 -0.001 0.000 0.250 35 V C 2.613 178.719 176.094 0.020 0.000 1.060 35 V CA 2.365 64.687 62.300 0.036 0.000 1.030 35 V CB -0.625 31.218 31.823 0.033 0.000 0.643 35 V HN 0.559 nan 8.190 nan 0.000 0.445 36 E N 0.015 120.216 120.200 0.002 0.000 2.001 36 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 36 E C 2.275 178.859 176.600 -0.028 0.000 1.002 36 E CA 2.066 58.461 56.400 -0.009 0.000 0.819 36 E CB -0.265 29.427 29.700 -0.014 0.000 0.769 36 E HN 0.535 nan 8.360 nan 0.000 0.454 37 I N 1.053 121.596 120.570 -0.045 0.000 2.132 37 I HA -0.480 3.689 4.170 -0.001 0.000 0.238 37 I C 2.843 178.898 176.117 -0.104 0.000 1.012 37 I CA 1.918 63.172 61.300 -0.076 0.000 1.288 37 I CB -0.529 37.422 38.000 -0.082 0.000 0.997 37 I HN 0.393 nan 8.210 nan 0.000 0.402 38 C N -0.062 119.160 119.300 -0.130 0.000 2.411 38 C HA -0.151 4.309 4.460 -0.001 0.000 0.279 38 C C 2.922 177.855 174.990 -0.093 0.000 1.288 38 C CA 1.408 60.282 59.018 -0.239 0.000 1.764 38 C CB -1.397 26.076 27.740 -0.444 0.000 1.974 38 C HN 0.581 nan 8.230 nan 0.000 0.498 39 T N 0.490 115.046 114.554 0.004 0.000 2.668 39 T HA -0.202 4.148 4.350 -0.001 0.000 0.262 39 T C 1.775 176.488 174.700 0.023 0.000 1.045 39 T CA 1.758 63.893 62.100 0.059 0.000 1.152 39 T CB -0.337 68.558 68.868 0.045 0.000 0.864 39 T HN 0.718 nan 8.240 nan 0.000 0.419 40 E N 0.342 120.535 120.200 -0.012 0.000 2.058 40 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 40 E C 2.176 178.757 176.600 -0.032 0.000 0.997 40 E CA 0.928 57.313 56.400 -0.024 0.000 0.801 40 E CB -0.211 29.464 29.700 -0.042 0.000 0.746 40 E HN 0.155 nan 8.360 nan 0.000 0.450 41 L N 1.837 123.022 121.223 -0.064 0.000 1.997 41 L HA -0.271 4.069 4.340 -0.001 0.000 0.216 41 L C 2.425 179.283 176.870 -0.020 0.000 1.074 41 L CA 2.437 57.225 54.840 -0.087 0.000 0.763 41 L CB -0.905 41.059 42.059 -0.158 0.000 0.890 41 L HN 0.315 nan 8.230 nan 0.000 0.434 42 E N -0.349 119.870 120.200 0.032 0.000 2.033 42 E HA -0.285 4.064 4.350 -0.001 0.000 0.199 42 E C 1.855 178.499 176.600 0.073 0.000 1.011 42 E CA 1.791 58.268 56.400 0.127 0.000 0.815 42 E CB -0.130 29.718 29.700 0.246 0.000 0.755 42 E HN 0.464 nan 8.360 nan 0.000 0.451 43 K N 0.039 120.468 120.400 0.047 0.000 2.555 43 K HA -0.066 4.253 4.320 -0.001 0.000 0.193 43 K C 1.648 178.259 176.600 0.017 0.000 1.032 43 K CA 0.535 56.838 56.287 0.028 0.000 1.004 43 K CB 0.091 32.602 32.500 0.018 0.000 0.804 43 K HN 0.286 nan 8.250 nan 0.000 0.496 44 E N -0.545 119.663 120.200 0.012 0.000 2.340 44 E HA -0.014 4.335 4.350 -0.001 0.000 0.194 44 E C 1.120 177.736 176.600 0.026 0.000 0.996 44 E CA 0.485 56.888 56.400 0.004 0.000 0.869 44 E CB 0.484 30.170 29.700 -0.022 0.000 0.835 44 E HN 0.475 nan 8.360 nan 0.000 0.493 45 G N 1.280 110.105 108.800 0.042 0.000 2.307 45 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.210 45 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.210 45 G C 0.997 175.949 174.900 0.086 0.000 1.005 45 G CA 0.273 45.410 45.100 0.062 0.000 0.634 45 G HN 0.160 nan 8.290 nan 0.000 0.496 46 K N 0.530 120.980 120.400 0.083 0.000 2.160 46 K HA 0.051 4.371 4.320 -0.001 0.000 0.206 46 K C 1.458 178.143 176.600 0.142 0.000 1.047 46 K CA 1.675 58.040 56.287 0.130 0.000 0.930 46 K CB -0.189 32.353 32.500 0.071 0.000 0.720 46 K HN 0.810 nan 8.250 nan 0.000 0.450 47 I N -4.123 116.510 120.570 0.104 0.000 3.174 47 I HA 0.442 4.611 4.170 -0.001 0.000 0.313 47 I C -0.996 175.252 176.117 0.218 0.000 1.155 47 I CA -1.105 60.283 61.300 0.147 0.000 0.977 47 I CB 2.603 40.651 38.000 0.080 0.000 1.248 47 I HN -0.319 nan 8.210 nan 0.000 0.453 48 S N 1.031 116.881 115.700 0.251 0.000 2.541 48 S HA 0.460 4.929 4.470 -0.001 0.000 0.271 48 S C -0.890 173.668 174.600 -0.071 0.000 1.133 48 S CA -0.946 57.317 58.200 0.105 0.000 0.876 48 S CB 2.216 65.442 63.200 0.043 0.000 1.105 48 S HN 0.527 nan 8.310 nan 0.000 0.470 49 K N 1.453 121.663 120.400 -0.317 0.000 2.168 49 K HA 0.632 4.951 4.320 -0.001 0.000 0.258 49 K C 0.049 176.478 176.600 -0.284 0.000 1.010 49 K CA -0.194 55.766 56.287 -0.544 0.000 0.929 49 K CB 0.360 32.545 32.500 -0.524 0.000 0.998 49 K HN 0.624 nan 8.250 nan 0.000 0.479 50 I N -3.951 116.452 120.570 -0.279 0.000 3.511 50 I HA 0.702 4.872 4.170 -0.001 0.000 0.314 50 I C 0.119 176.143 176.117 -0.156 0.000 1.231 50 I CA -0.986 60.213 61.300 -0.169 0.000 0.989 50 I CB 1.604 39.531 38.000 -0.123 0.000 1.331 50 I HN 0.666 nan 8.210 nan 0.000 0.465 51 G N -0.500 108.232 108.800 -0.113 0.000 3.074 51 G HA2 0.338 4.298 3.960 -0.001 0.000 0.127 51 G HA3 0.338 4.298 3.960 -0.001 0.000 0.127 51 G C -2.431 172.424 174.900 -0.075 0.000 1.216 51 G CA 0.206 45.248 45.100 -0.097 0.000 1.390 51 G HN 0.424 nan 8.290 nan 0.000 0.676 52 P HA -0.044 nan 4.420 nan 0.000 0.217 52 P C 1.244 178.507 177.300 -0.061 0.000 1.151 52 P CA 1.797 64.863 63.100 -0.058 0.000 0.849 52 P CB 0.065 31.735 31.700 -0.050 0.000 0.787 53 E N -1.756 118.408 120.200 -0.061 0.000 2.216 53 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 53 E C 0.846 177.399 176.600 -0.079 0.000 0.988 53 E CA 0.423 56.785 56.400 -0.064 0.000 0.834 53 E CB -0.518 29.151 29.700 -0.053 0.000 0.772 53 E HN 0.168 nan 8.360 nan 0.000 0.479 54 N N 1.627 120.285 118.700 -0.069 0.000 2.521 54 N HA 0.063 4.802 4.740 -0.001 0.000 0.236 54 N C -1.898 173.554 175.510 -0.096 0.000 1.067 54 N CA -1.234 51.782 53.050 -0.056 0.000 0.939 54 N CB 1.031 39.518 38.487 0.000 0.000 1.201 54 N HN 0.013 nan 8.380 nan 0.000 0.511 55 P HA 0.010 nan 4.420 nan 0.000 0.249 55 P C -0.442 176.721 177.300 -0.229 0.000 1.229 55 P CA 0.297 63.240 63.100 -0.262 0.000 0.788 55 P CB 0.150 31.638 31.700 -0.354 0.000 1.072 56 Y N 0.774 121.105 120.300 0.052 0.000 2.301 56 Y HA 0.502 5.051 4.550 -0.001 0.000 0.325 56 Y C 1.126 177.078 175.900 0.087 0.000 1.203 56 Y CA -0.361 57.793 58.100 0.091 0.000 1.255 56 Y CB 0.553 39.099 38.460 0.142 0.000 1.232 56 Y HN -0.094 nan 8.280 nan 0.000 0.501 57 N N 0.146 119.005 118.700 0.266 0.000 2.516 57 N HA 0.229 4.969 4.740 -0.001 0.000 0.268 57 N C -1.939 173.659 175.510 0.148 0.000 1.096 57 N CA -0.392 52.769 53.050 0.185 0.000 0.954 57 N CB 1.939 40.501 38.487 0.124 0.000 1.676 57 N HN 0.725 nan 8.380 nan 0.000 0.490 58 T N 0.267 114.880 114.554 0.099 0.000 2.841 58 T HA 0.571 4.920 4.350 -0.001 0.000 0.283 58 T C -2.798 171.850 174.700 -0.086 0.000 1.000 58 T CA -1.611 60.475 62.100 -0.023 0.000 0.977 58 T CB 2.002 70.742 68.868 -0.213 0.000 0.979 58 T HN 0.297 nan 8.240 nan 0.000 0.446 59 P HA 0.121 nan 4.420 nan 0.000 0.261 59 P C -0.480 176.421 177.300 -0.665 0.000 1.183 59 P CA -0.131 62.873 63.100 -0.161 0.000 0.761 59 P CB 0.810 32.556 31.700 0.078 0.000 0.785 60 V N 5.373 124.916 119.914 -0.618 0.000 2.715 60 V HA 0.657 4.777 4.120 -0.001 0.000 0.310 60 V C -0.983 174.624 176.094 -0.810 0.000 1.054 60 V CA -0.618 61.242 62.300 -0.734 0.000 0.928 60 V CB 1.042 32.736 31.823 -0.215 0.000 1.007 60 V HN 0.299 nan 8.190 nan 0.000 0.437 61 F N 3.559 123.411 119.950 -0.164 0.000 2.611 61 F HA 0.905 5.431 4.527 -0.001 0.000 0.324 61 F C 0.276 176.000 175.800 -0.127 0.000 1.061 61 F CA -0.880 57.005 58.000 -0.192 0.000 0.954 61 F CB 1.888 40.740 39.000 -0.247 0.000 1.301 61 F HN 0.647 nan 8.300 nan 0.000 0.482 62 A N 1.708 124.583 122.820 0.091 0.000 2.335 62 A HA 0.827 5.147 4.320 -0.001 0.000 0.304 62 A C -1.457 176.132 177.584 0.009 0.000 1.118 62 A CA -0.444 51.609 52.037 0.027 0.000 0.757 62 A CB 0.577 19.584 19.000 0.012 0.000 1.188 62 A HN 0.548 nan 8.150 nan 0.000 0.460 63 I N 2.697 123.267 120.570 0.000 0.000 2.474 63 I HA 0.365 4.535 4.170 -0.001 0.000 0.294 63 I C 1.380 177.485 176.117 -0.021 0.000 1.005 63 I CA -0.354 60.935 61.300 -0.018 0.000 1.113 63 I CB 2.165 40.154 38.000 -0.019 0.000 1.289 63 I HN 0.840 nan 8.210 nan 0.000 0.436 64 K N 5.835 126.219 120.400 -0.026 0.000 2.141 64 K HA 0.162 4.482 4.320 -0.001 0.000 0.202 64 K C 0.201 176.788 176.600 -0.023 0.000 1.045 64 K CA 0.560 56.833 56.287 -0.023 0.000 0.971 64 K CB 0.371 32.857 32.500 -0.022 0.000 0.795 64 K HN 0.615 nan 8.250 nan 0.000 0.459 69 T N 0.813 115.357 114.554 -0.017 0.000 3.043 69 T HA 0.215 4.565 4.350 -0.001 0.000 0.272 69 T C 0.623 175.313 174.700 -0.017 0.000 0.990 69 T CA -0.093 61.998 62.100 -0.016 0.000 0.897 69 T CB 0.351 69.210 68.868 -0.014 0.000 1.111 69 T HN 0.537 nan 8.240 nan 0.000 0.529 74 L N 4.759 125.998 121.223 0.028 0.000 2.442 74 L HA 0.426 4.765 4.340 -0.001 0.000 0.261 74 L C -1.614 175.231 176.870 -0.042 0.000 1.000 74 L CA -0.440 54.438 54.840 0.062 0.000 0.882 74 L CB 1.565 43.710 42.059 0.142 0.000 1.207 74 L HN 0.315 nan 8.230 nan 0.000 0.443 75 V N 3.054 122.895 119.914 -0.122 0.000 2.583 75 V HA 0.282 4.402 4.120 -0.001 0.000 0.287 75 V C 0.150 176.095 176.094 -0.248 0.000 1.051 75 V CA -0.380 61.715 62.300 -0.342 0.000 1.010 75 V CB 1.343 32.957 31.823 -0.348 0.000 0.988 75 V HN 0.731 nan 8.190 nan 0.000 0.478 76 D N 3.309 123.487 120.400 -0.369 0.000 2.427 76 D HA 0.282 4.922 4.640 -0.001 0.000 0.226 76 D C -0.308 175.866 176.300 -0.209 0.000 1.076 76 D CA -0.353 53.572 54.000 -0.126 0.000 0.849 76 D CB 0.931 41.773 40.800 0.070 0.000 1.052 76 D HN 0.478 nan 8.370 nan 0.000 0.515 77 F N 2.890 122.884 119.950 0.072 0.000 2.668 77 F HA 0.192 4.718 4.527 -0.001 0.000 0.297 77 F C 2.203 178.090 175.800 0.146 0.000 1.124 77 F CA -0.583 57.484 58.000 0.112 0.000 1.353 77 F CB 0.374 39.451 39.000 0.129 0.000 0.992 77 F HN 0.216 nan 8.300 nan 0.000 0.524 78 R N 0.135 120.780 120.500 0.241 0.000 2.096 78 R HA -0.170 4.170 4.340 -0.001 0.000 0.240 78 R C 1.492 177.904 176.300 0.187 0.000 1.139 78 R CA 1.257 57.470 56.100 0.188 0.000 0.952 78 R CB -0.544 29.837 30.300 0.135 0.000 0.854 78 R HN 0.283 nan 8.270 nan 0.000 0.436 79 E N 0.989 121.297 120.200 0.178 0.000 2.268 79 E HA -0.116 4.234 4.350 -0.001 0.000 0.195 79 E C 1.871 178.589 176.600 0.197 0.000 0.995 79 E CA 0.581 57.078 56.400 0.161 0.000 0.836 79 E CB -0.042 29.740 29.700 0.137 0.000 0.763 79 E HN 0.144 nan 8.360 nan 0.000 0.491 80 L N 1.129 122.530 121.223 0.297 0.000 2.270 80 L HA 0.008 4.347 4.340 -0.001 0.000 0.210 80 L C 1.415 178.506 176.870 0.369 0.000 1.104 80 L CA 1.113 56.162 54.840 0.348 0.000 0.804 80 L CB -0.288 42.075 42.059 0.507 0.000 0.937 80 L HN -0.072 nan 8.230 nan 0.000 0.450 81 N N 0.953 119.843 118.700 0.315 0.000 2.106 81 N HA -0.128 4.611 4.740 -0.001 0.000 0.188 81 N C 0.915 176.502 175.510 0.128 0.000 1.029 81 N CA 1.386 54.554 53.050 0.197 0.000 0.848 81 N CB -0.311 38.247 38.487 0.117 0.000 1.007 81 N HN 0.476 nan 8.380 nan 0.000 0.423 82 K N 0.691 121.160 120.400 0.115 0.000 3.025 82 K HA 0.159 4.478 4.320 -0.001 0.000 0.260 82 K C 0.513 177.159 176.600 0.078 0.000 1.023 82 K CA 0.320 56.654 56.287 0.078 0.000 1.194 82 K CB 0.535 33.077 32.500 0.069 0.000 1.094 82 K HN -0.040 nan 8.250 nan 0.000 0.460 83 R N -0.101 120.461 120.500 0.103 0.000 2.650 83 R HA 0.091 4.430 4.340 -0.001 0.000 0.212 83 R C -0.235 176.122 176.300 0.094 0.000 0.904 83 R CA 0.435 56.583 56.100 0.081 0.000 1.021 83 R CB 0.523 30.870 30.300 0.078 0.000 1.519 83 R HN 0.111 nan 8.270 nan 0.000 0.639 84 T N 2.796 117.451 114.554 0.168 0.000 2.919 84 T HA 0.090 4.440 4.350 -0.001 0.000 0.302 84 T C 0.017 174.700 174.700 -0.027 0.000 1.031 84 T CA -0.236 61.961 62.100 0.161 0.000 1.127 84 T CB 1.022 70.065 68.868 0.293 0.000 0.952 84 T HN 0.235 nan 8.240 nan 0.000 0.540 85 Q N 2.511 122.214 119.800 -0.162 0.000 2.624 85 Q HA 0.081 4.421 4.340 -0.001 0.000 0.256 85 Q C -0.635 175.076 176.000 -0.482 0.000 1.119 85 Q CA -0.090 55.529 55.803 -0.306 0.000 0.995 85 Q CB 0.421 28.918 28.738 -0.402 0.000 1.318 85 Q HN 0.501 nan 8.270 nan 0.000 0.534 86 D N 0.091 120.256 120.400 -0.393 0.000 2.225 86 D HA 0.320 4.960 4.640 -0.001 0.000 0.249 86 D C -0.718 175.290 176.300 -0.487 0.000 1.052 86 D CA -0.129 53.696 54.000 -0.292 0.000 0.909 86 D CB 0.676 41.423 40.800 -0.089 0.000 1.186 86 D HN 0.305 nan 8.370 nan 0.000 0.431 87 F N -0.087 119.835 119.950 -0.047 0.000 2.525 87 F HA 0.314 4.840 4.527 -0.001 0.000 0.346 87 F C 0.497 176.389 175.800 0.153 0.000 1.072 87 F CA -1.111 56.893 58.000 0.006 0.000 1.033 87 F CB 0.785 39.731 39.000 -0.089 0.000 1.324 87 F HN 0.260 nan 8.300 nan 0.000 0.491 88 W N 2.813 124.185 121.300 0.119 0.000 2.304 88 W HA 0.237 4.897 4.660 -0.001 0.000 0.313 88 W C -0.128 176.417 176.519 0.043 0.000 1.323 88 W CA -1.019 56.354 57.345 0.048 0.000 1.223 88 W CB 0.724 30.202 29.460 0.029 0.000 1.237 88 W HN 0.662 nan 8.180 nan 0.000 0.535 89 E N 2.345 122.134 120.200 -0.684 0.000 2.696 89 E HA -0.031 4.318 4.350 -0.001 0.000 0.270 89 E C -0.452 175.832 176.600 -0.528 0.000 0.958 89 E CA 0.055 56.058 56.400 -0.662 0.000 0.964 89 E CB 0.227 29.391 29.700 -0.894 0.000 0.948 89 E HN 0.246 nan 8.360 nan 0.000 0.472 90 V N 1.048 120.794 119.914 -0.280 0.000 2.509 90 V HA 0.157 4.276 4.120 -0.001 0.000 0.284 90 V C 0.200 176.210 176.094 -0.141 0.000 1.047 90 V CA -1.183 61.016 62.300 -0.169 0.000 0.952 90 V CB 1.255 33.019 31.823 -0.099 0.000 0.988 90 V HN 0.724 nan 8.190 nan 0.000 0.469 91 Q N 3.525 123.277 119.800 -0.080 0.000 3.359 91 Q HA -0.106 4.233 4.340 -0.001 0.000 0.378 91 Q C 0.497 176.502 176.000 0.009 0.000 1.043 91 Q CA 0.691 56.486 55.803 -0.014 0.000 1.248 91 Q CB 0.121 28.906 28.738 0.078 0.000 0.987 91 Q HN 0.842 nan 8.270 nan 0.000 0.436 92 L N 1.240 122.450 121.223 -0.021 0.000 2.470 92 L HA 0.139 4.479 4.340 -0.001 0.000 0.219 92 L C 1.197 178.089 176.870 0.036 0.000 1.071 92 L CA 0.404 55.244 54.840 0.000 0.000 0.850 92 L CB 0.256 42.288 42.059 -0.045 0.000 1.040 92 L HN 0.632 nan 8.230 nan 0.000 0.475 93 G N 1.058 109.878 108.800 0.034 0.000 2.444 93 G HA2 0.479 4.438 3.960 -0.001 0.000 0.268 93 G HA3 0.479 4.438 3.960 -0.001 0.000 0.268 93 G C -0.507 174.445 174.900 0.086 0.000 1.203 93 G CA -0.136 44.988 45.100 0.040 0.000 0.835 93 G HN -0.006 nan 8.290 nan 0.000 0.543 94 I N -0.253 120.371 120.570 0.091 0.000 3.074 94 I HA 0.667 4.837 4.170 -0.001 0.000 0.310 94 I C -2.718 173.462 176.117 0.105 0.000 1.153 94 I CA -3.116 58.280 61.300 0.159 0.000 0.993 94 I CB 0.502 38.652 38.000 0.250 0.000 1.237 94 I HN 0.232 nan 8.210 nan 0.000 0.443 95 P HA 0.261 nan 4.420 nan 0.000 0.267 95 P C -1.236 176.127 177.300 0.105 0.000 1.200 95 P CA 0.591 63.622 63.100 -0.115 0.000 0.772 95 P CB 0.104 31.486 31.700 -0.530 0.000 0.855 96 H N 1.746 120.739 119.070 -0.128 0.000 2.538 96 H HA 0.284 4.840 4.556 -0.001 0.000 0.353 96 H C -1.751 173.432 175.328 -0.242 0.000 1.109 96 H CA -2.028 53.938 56.048 -0.137 0.000 1.192 96 H CB 1.566 31.201 29.762 -0.212 0.000 1.555 96 H HN 0.236 nan 8.280 nan 0.000 0.518 97 P HA -0.304 nan 4.420 nan 0.000 0.218 97 P C 0.946 178.294 177.300 0.080 0.000 1.165 97 P CA 2.596 65.519 63.100 -0.295 0.000 0.922 97 P CB -0.094 31.060 31.700 -0.911 0.000 0.794 98 A N -1.105 121.821 122.820 0.176 0.000 2.272 98 A HA -0.051 4.268 4.320 -0.001 0.000 0.213 98 A C 2.204 179.977 177.584 0.316 0.000 1.183 98 A CA 1.801 54.044 52.037 0.344 0.000 0.719 98 A CB -1.533 17.656 19.000 0.315 0.000 0.771 98 A HN 0.367 nan 8.150 nan 0.000 0.484 99 G N -0.888 107.968 108.800 0.094 0.000 2.656 99 G HA2 0.327 4.287 3.960 -0.001 0.000 0.211 99 G HA3 0.327 4.287 3.960 -0.001 0.000 0.211 99 G C 0.631 175.632 174.900 0.168 0.000 1.137 99 G CA -0.204 44.864 45.100 -0.053 0.000 0.802 99 G HN 0.412 nan 8.290 nan 0.000 0.527 100 L N 0.375 121.688 121.223 0.150 0.000 2.472 100 L HA 0.357 4.696 4.340 -0.001 0.000 0.260 100 L C 0.087 177.058 176.870 0.168 0.000 1.209 100 L CA -0.120 54.750 54.840 0.051 0.000 0.817 100 L CB 0.626 42.570 42.059 -0.192 0.000 1.106 100 L HN -0.046 nan 8.230 nan 0.000 0.479 101 K N 0.857 121.269 120.400 0.019 0.000 2.207 101 K HA 0.328 4.648 4.320 -0.001 0.000 0.255 101 K C -0.792 175.745 176.600 -0.105 0.000 0.941 101 K CA -1.011 55.308 56.287 0.053 0.000 0.825 101 K CB 1.803 34.321 32.500 0.030 0.000 1.119 101 K HN 0.423 nan 8.250 nan 0.000 0.430 102 K N 1.843 122.249 120.400 0.011 0.000 2.469 102 K HA 0.098 4.417 4.320 -0.001 0.000 0.274 102 K C -0.326 176.251 176.600 -0.038 0.000 0.983 102 K CA -0.008 56.277 56.287 -0.002 0.000 0.974 102 K CB 0.445 33.057 32.500 0.186 0.000 0.913 102 K HN 0.158 nan 8.250 nan 0.000 0.493 103 K N 2.171 122.547 120.400 -0.041 0.000 2.444 103 K HA 0.202 4.522 4.320 -0.001 0.000 0.252 103 K C 0.145 176.729 176.600 -0.025 0.000 0.993 103 K CA -1.000 55.261 56.287 -0.043 0.000 0.847 103 K CB 1.646 34.105 32.500 -0.069 0.000 1.340 103 K HN 0.467 nan 8.250 nan 0.000 0.446 104 K N 0.392 120.756 120.400 -0.060 0.000 2.031 104 K HA 0.094 4.414 4.320 -0.001 0.000 0.205 104 K C 0.058 176.595 176.600 -0.105 0.000 1.049 104 K CA 1.132 57.380 56.287 -0.064 0.000 0.939 104 K CB 0.264 32.717 32.500 -0.080 0.000 0.717 104 K HN 0.618 nan 8.250 nan 0.000 0.438 105 S N -1.308 114.250 115.700 -0.237 0.000 2.618 105 S HA 0.658 5.128 4.470 -0.001 0.000 0.277 105 S C -1.464 173.007 174.600 -0.215 0.000 1.138 105 S CA -1.106 56.916 58.200 -0.297 0.000 0.844 105 S CB 2.639 65.451 63.200 -0.648 0.000 1.127 105 S HN -0.181 nan 8.310 nan 0.000 0.474 106 V N 1.418 121.361 119.914 0.047 0.000 2.711 106 V HA 0.631 4.751 4.120 -0.001 0.000 0.304 106 V C -0.763 175.527 176.094 0.327 0.000 1.097 106 V CA -0.443 61.980 62.300 0.204 0.000 0.906 106 V CB 1.966 33.923 31.823 0.224 0.000 1.015 106 V HN 1.031 nan 8.190 nan 0.000 0.427 107 T N 3.185 117.901 114.554 0.272 0.000 2.908 107 T HA 0.659 5.008 4.350 -0.001 0.000 0.290 107 T C -0.930 173.740 174.700 -0.051 0.000 1.034 107 T CA -0.639 61.562 62.100 0.169 0.000 1.010 107 T CB 2.287 71.226 68.868 0.118 0.000 1.068 107 T HN 0.600 nan 8.240 nan 0.000 0.481 108 V N 3.708 123.518 119.914 -0.173 0.000 2.380 108 V HA 0.542 4.661 4.120 -0.001 0.000 0.286 108 V C -1.231 174.692 176.094 -0.284 0.000 1.015 108 V CA -0.824 61.206 62.300 -0.451 0.000 0.834 108 V CB 0.555 31.786 31.823 -0.987 0.000 1.009 108 V HN 0.669 nan 8.190 nan 0.000 0.428 109 L N 5.241 126.321 121.223 -0.239 0.000 2.417 109 L HA 0.480 4.819 4.340 -0.001 0.000 0.268 109 L C 0.209 176.979 176.870 -0.167 0.000 1.158 109 L CA 0.412 55.153 54.840 -0.165 0.000 0.819 109 L CB 0.977 42.952 42.059 -0.141 0.000 1.112 109 L HN 0.808 nan 8.230 nan 0.000 0.458 110 D N 1.117 121.453 120.400 -0.106 0.000 2.472 110 D HA 0.261 4.900 4.640 -0.001 0.000 0.234 110 D C -0.469 175.811 176.300 -0.034 0.000 1.088 110 D CA -0.577 53.380 54.000 -0.072 0.000 0.882 110 D CB 0.793 41.572 40.800 -0.035 0.000 1.037 110 D HN 0.253 nan 8.370 nan 0.000 0.520 111 V N 3.289 123.191 119.914 -0.020 0.000 2.356 111 V HA 0.410 4.530 4.120 -0.001 0.000 0.244 111 V C 1.490 177.591 176.094 0.012 0.000 1.120 111 V CA 0.055 62.374 62.300 0.032 0.000 1.181 111 V CB -0.281 31.613 31.823 0.119 0.000 1.244 111 V HN 0.470 nan 8.190 nan 0.000 0.487 112 G N 5.089 113.918 108.800 0.048 0.000 2.480 112 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.169 112 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.169 112 G C 0.388 175.291 174.900 0.004 0.000 1.566 112 G CA 0.678 45.800 45.100 0.037 0.000 0.887 112 G HN 0.898 nan 8.290 nan 0.000 0.423 113 D N 1.207 121.644 120.400 0.062 0.000 2.644 113 D HA 0.395 5.035 4.640 -0.001 0.000 0.252 113 D C 1.688 178.059 176.300 0.118 0.000 1.254 113 D CA 0.631 54.686 54.000 0.092 0.000 0.884 113 D CB -0.080 40.805 40.800 0.142 0.000 1.034 113 D HN 0.353 nan 8.370 nan 0.000 0.473 114 A N 0.220 123.059 122.820 0.031 0.000 1.915 114 A HA -0.348 3.971 4.320 -0.001 0.000 0.220 114 A C 1.613 179.236 177.584 0.065 0.000 1.198 114 A CA 1.275 53.339 52.037 0.045 0.000 0.647 114 A CB -0.996 17.867 19.000 -0.228 0.000 0.825 114 A HN 0.357 nan 8.150 nan 0.000 0.456 115 Y N -1.370 118.730 120.300 -0.333 0.000 1.977 115 Y HA -0.257 4.293 4.550 -0.001 0.000 0.264 115 Y C 2.182 178.016 175.900 -0.109 0.000 1.167 115 Y CA 1.848 59.781 58.100 -0.279 0.000 1.102 115 Y CB -1.334 36.901 38.460 -0.375 0.000 0.948 115 Y HN 0.343 nan 8.280 nan 0.000 0.489 116 F N -0.545 119.490 119.950 0.141 0.000 2.529 116 F HA -0.159 4.368 4.527 -0.001 0.000 0.297 116 F C 2.360 178.214 175.800 0.089 0.000 1.114 116 F CA 1.311 59.370 58.000 0.098 0.000 1.467 116 F CB -0.531 38.523 39.000 0.090 0.000 1.096 116 F HN -0.085 nan 8.300 nan 0.000 0.586 117 S N -1.127 114.727 115.700 0.256 0.000 2.528 117 S HA 0.108 4.577 4.470 -0.001 0.000 0.219 117 S C 0.587 175.291 174.600 0.173 0.000 0.985 117 S CA 0.015 58.340 58.200 0.208 0.000 0.914 117 S CB 0.122 63.444 63.200 0.205 0.000 0.776 117 S HN -0.124 nan 8.310 nan 0.000 0.526 118 V N 3.814 123.812 119.914 0.141 0.000 2.439 118 V HA 0.323 4.443 4.120 -0.001 0.000 0.282 118 V C -2.390 173.746 176.094 0.070 0.000 1.039 118 V CA -2.362 59.997 62.300 0.099 0.000 0.913 118 V CB 1.087 32.958 31.823 0.080 0.000 0.983 118 V HN 0.067 nan 8.190 nan 0.000 0.460 119 P HA 0.118 nan 4.420 nan 0.000 0.270 119 P C -0.655 176.668 177.300 0.039 0.000 1.221 119 P CA -0.040 63.103 63.100 0.072 0.000 0.788 119 P CB 0.640 32.386 31.700 0.077 0.000 0.904 120 L N 1.319 122.566 121.223 0.041 0.000 2.362 120 L HA 0.381 4.720 4.340 -0.001 0.000 0.271 120 L C -0.146 176.757 176.870 0.055 0.000 1.002 120 L CA -1.087 53.758 54.840 0.008 0.000 0.818 120 L CB 1.700 43.738 42.059 -0.034 0.000 1.298 120 L HN 0.245 nan 8.230 nan 0.000 0.420 121 D N 3.158 123.603 120.400 0.076 0.000 2.660 121 D HA -0.138 4.501 4.640 -0.001 0.000 0.253 121 D C 1.371 177.747 176.300 0.126 0.000 1.256 121 D CA 0.429 54.499 54.000 0.117 0.000 0.914 121 D CB 0.845 41.742 40.800 0.162 0.000 1.137 121 D HN 0.553 nan 8.370 nan 0.000 0.542 122 E N 3.338 123.591 120.200 0.089 0.000 2.108 122 E HA -0.339 4.011 4.350 -0.001 0.000 0.203 122 E C 1.246 177.883 176.600 0.061 0.000 1.022 122 E CA 1.584 58.024 56.400 0.067 0.000 0.823 122 E CB -0.486 29.247 29.700 0.054 0.000 0.744 122 E HN 0.641 nan 8.360 nan 0.000 0.456 123 D N 0.502 120.955 120.400 0.089 0.000 2.106 123 D HA -0.213 4.426 4.640 -0.001 0.000 0.194 123 D C 1.862 178.212 176.300 0.084 0.000 0.988 123 D CA 1.484 55.537 54.000 0.088 0.000 0.845 123 D CB -0.780 40.101 40.800 0.136 0.000 0.990 123 D HN 0.235 nan 8.370 nan 0.000 0.448 124 F N 1.275 121.259 119.950 0.056 0.000 2.287 124 F HA -0.120 4.407 4.527 -0.001 0.000 0.301 124 F C 2.441 178.246 175.800 0.008 0.000 1.069 124 F CA 1.317 59.398 58.000 0.134 0.000 1.372 124 F CB -0.187 38.907 39.000 0.157 0.000 1.056 124 F HN -0.064 nan 8.300 nan 0.000 0.523 125 R N 1.110 121.630 120.500 0.032 0.000 2.133 125 R HA -0.275 4.064 4.340 -0.001 0.000 0.247 125 R C 2.297 178.518 176.300 -0.131 0.000 1.151 125 R CA 2.278 58.359 56.100 -0.030 0.000 0.971 125 R CB -0.277 30.038 30.300 0.025 0.000 0.866 125 R HN 0.476 nan 8.270 nan 0.000 0.447 126 K N -0.877 119.363 120.400 -0.266 0.000 2.009 126 K HA -0.206 4.113 4.320 -0.001 0.000 0.210 126 K C 1.711 178.170 176.600 -0.235 0.000 1.049 126 K CA 1.918 58.047 56.287 -0.263 0.000 0.929 126 K CB -0.862 31.419 32.500 -0.364 0.000 0.714 126 K HN 0.212 nan 8.250 nan 0.000 0.440 127 Y N 2.825 122.940 120.300 -0.308 0.000 2.639 127 Y HA -0.135 4.415 4.550 -0.001 0.000 0.289 127 Y C 1.877 177.704 175.900 -0.122 0.000 1.155 127 Y CA 1.308 59.164 58.100 -0.406 0.000 1.379 127 Y CB -1.133 36.834 38.460 -0.822 0.000 0.967 127 Y HN 0.334 nan 8.280 nan 0.000 0.569 128 T N -2.381 112.226 114.554 0.089 0.000 3.273 128 T HA 0.606 4.956 4.350 -0.001 0.000 0.254 128 T C 0.666 175.714 174.700 0.581 0.000 1.002 128 T CA -0.068 62.264 62.100 0.385 0.000 0.913 128 T CB -0.596 68.412 68.868 0.233 0.000 1.056 128 T HN 0.255 nan 8.240 nan 0.000 0.576 129 A N 1.900 124.953 122.820 0.388 0.000 2.407 129 A HA 0.664 4.984 4.320 -0.001 0.000 0.248 129 A C -0.175 177.660 177.584 0.418 0.000 1.082 129 A CA -0.687 51.553 52.037 0.337 0.000 0.785 129 A CB -0.176 18.940 19.000 0.193 0.000 1.020 129 A HN 0.905 nan 8.150 nan 0.000 0.489 130 F N -1.133 118.876 119.950 0.097 0.000 2.672 130 F HA 0.646 5.172 4.527 -0.001 0.000 0.311 130 F C -0.537 175.299 175.800 0.060 0.000 1.113 130 F CA -0.690 57.333 58.000 0.039 0.000 0.996 130 F CB 1.080 40.066 39.000 -0.023 0.000 1.286 130 F HN 0.482 nan 8.300 nan 0.000 0.441 131 T N 2.720 117.241 114.554 -0.055 0.000 2.829 131 T HA 0.610 4.960 4.350 -0.001 0.000 0.280 131 T C -0.338 174.371 174.700 0.015 0.000 0.999 131 T CA -0.595 61.440 62.100 -0.109 0.000 0.983 131 T CB 1.970 70.812 68.868 -0.042 0.000 0.968 131 T HN 0.682 nan 8.240 nan 0.000 0.446 132 I N 3.628 124.204 120.570 0.010 0.000 2.347 132 I HA 0.211 4.380 4.170 -0.001 0.000 0.294 132 I C -2.040 174.112 176.117 0.058 0.000 1.090 132 I CA -2.135 59.209 61.300 0.073 0.000 1.314 132 I CB 0.385 38.441 38.000 0.094 0.000 1.423 132 I HN 0.330 nan 8.210 nan 0.000 0.503 133 P HA -0.100 nan 4.420 nan 0.000 0.259 133 P C 0.184 177.515 177.300 0.052 0.000 1.155 133 P CA 0.342 63.485 63.100 0.072 0.000 0.759 133 P CB 0.342 32.103 31.700 0.101 0.000 0.753 143 R N 4.709 125.036 120.500 -0.288 0.000 2.346 143 R HA 0.707 5.047 4.340 -0.001 0.000 0.311 143 R C -1.457 174.579 176.300 -0.439 0.000 0.983 143 R CA -0.656 55.267 56.100 -0.295 0.000 0.880 143 R CB 1.924 32.104 30.300 -0.200 0.000 1.100 143 R HN 0.447 nan 8.270 nan 0.000 0.453 144 Y N 0.424 120.361 120.300 -0.605 0.000 2.598 144 Y HA 0.324 4.874 4.550 -0.001 0.000 0.340 144 Y C 0.199 175.932 175.900 -0.279 0.000 1.038 144 Y CA -0.708 57.085 58.100 -0.512 0.000 1.100 144 Y CB 2.353 40.376 38.460 -0.728 0.000 1.281 144 Y HN 0.337 nan 8.280 nan 0.000 0.488 145 Q N 0.539 120.428 119.800 0.148 0.000 2.372 145 Q HA 0.352 4.691 4.340 -0.001 0.000 0.273 145 Q C -1.714 174.413 176.000 0.213 0.000 1.078 145 Q CA -0.990 54.923 55.803 0.182 0.000 0.806 145 Q CB 2.330 31.122 28.738 0.090 0.000 1.332 145 Q HN 0.636 nan 8.270 nan 0.000 0.435 146 Y N 1.184 121.628 120.300 0.240 0.000 2.314 146 Y HA 0.098 4.647 4.550 -0.001 0.000 0.334 146 Y C 1.151 177.108 175.900 0.094 0.000 1.266 146 Y CA 0.587 58.789 58.100 0.170 0.000 1.391 146 Y CB 0.711 39.211 38.460 0.066 0.000 1.306 146 Y HN 0.640 nan 8.280 nan 0.000 0.558 147 N N 0.125 119.013 118.700 0.313 0.000 2.082 147 N HA 0.114 4.853 4.740 -0.001 0.000 0.228 147 N C -1.402 174.201 175.510 0.155 0.000 1.341 147 N CA 0.375 53.535 53.050 0.183 0.000 0.873 147 N CB 1.039 39.620 38.487 0.156 0.000 1.137 147 N HN 0.360 nan 8.380 nan 0.000 0.505 148 V N -1.386 118.644 119.914 0.192 0.000 3.160 148 V HA 0.557 4.677 4.120 -0.001 0.000 0.310 148 V C -0.295 175.757 176.094 -0.071 0.000 1.181 148 V CA -1.105 61.258 62.300 0.104 0.000 1.047 148 V CB 1.738 33.692 31.823 0.218 0.000 1.068 148 V HN -0.248 nan 8.190 nan 0.000 0.441 149 L N 3.046 124.166 121.223 -0.172 0.000 2.615 149 L HA 0.334 4.674 4.340 -0.001 0.000 0.271 149 L C -2.199 174.352 176.870 -0.532 0.000 1.183 149 L CA -0.602 54.037 54.840 -0.335 0.000 0.933 149 L CB -0.824 41.009 42.059 -0.377 0.000 1.199 149 L HN 0.574 nan 8.230 nan 0.000 0.487 150 P HA 0.125 nan 4.420 nan 0.000 0.278 150 P C -0.544 176.515 177.300 -0.401 0.000 1.238 150 P CA -0.658 61.971 63.100 -0.785 0.000 0.794 150 P CB 0.558 31.583 31.700 -1.125 0.000 0.955 151 Q N 1.359 120.951 119.800 -0.347 0.000 2.315 151 Q HA 0.121 4.460 4.340 -0.001 0.000 0.289 151 Q C 1.445 177.465 176.000 0.033 0.000 1.044 151 Q CA 1.548 57.297 55.803 -0.089 0.000 0.920 151 Q CB -0.010 28.713 28.738 -0.025 0.000 1.214 151 Q HN 0.897 nan 8.270 nan 0.000 0.392 152 G N 2.772 111.610 108.800 0.064 0.000 2.180 152 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.263 152 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.263 152 G C -0.325 174.651 174.900 0.126 0.000 0.989 152 G CA 0.631 45.779 45.100 0.079 0.000 0.692 152 G HN 0.682 nan 8.290 nan 0.000 0.526 153 W N 1.213 122.443 121.300 -0.116 0.000 2.316 153 W HA 0.593 5.253 4.660 -0.000 0.000 0.311 153 W C 1.301 177.720 176.519 -0.166 0.000 1.217 153 W CA -0.659 56.587 57.345 -0.165 0.000 1.199 153 W CB 0.666 29.912 29.460 -0.356 0.000 1.202 153 W HN 0.144 nan 8.180 nan 0.000 0.528 154 K N 3.028 122.915 120.400 -0.854 0.000 2.037 154 K HA -0.305 4.015 4.320 -0.001 0.000 0.229 154 K C 1.826 177.710 176.600 -1.193 0.000 1.040 154 K CA 2.853 58.600 56.287 -0.899 0.000 0.981 154 K CB -0.959 31.097 32.500 -0.739 0.000 0.749 154 K HN 0.810 nan 8.250 nan 0.000 0.451 155 G N -0.858 106.565 108.800 -2.295 0.000 2.598 155 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.215 155 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.215 155 G C 1.292 175.597 174.900 -0.992 0.000 1.131 155 G CA 0.681 44.477 45.100 -2.172 0.000 0.785 155 G HN 0.356 nan 8.290 nan 0.000 0.539 156 S N 1.701 117.082 115.700 -0.531 0.000 2.374 156 S HA -0.101 4.369 4.470 -0.001 0.000 0.227 156 S C 0.043 174.385 174.600 -0.431 0.000 1.037 156 S CA 1.541 59.496 58.200 -0.407 0.000 1.024 156 S CB -0.725 62.235 63.200 -0.401 0.000 0.861 156 S HN 0.351 nan 8.310 nan 0.000 0.456 157 P HA 0.003 nan 4.420 nan 0.000 0.212 157 P C 1.671 178.937 177.300 -0.057 0.000 1.180 157 P CA 1.443 64.541 63.100 -0.004 0.000 0.906 157 P CB -0.206 31.479 31.700 -0.025 0.000 0.782 158 A N -0.415 122.295 122.820 -0.183 0.000 1.859 158 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 158 A C 2.288 179.799 177.584 -0.122 0.000 1.198 158 A CA 2.044 53.994 52.037 -0.145 0.000 0.629 158 A CB -1.862 17.030 19.000 -0.180 0.000 0.830 158 A HN 0.091 nan 8.150 nan 0.000 0.446 159 I N -1.803 118.644 120.570 -0.205 0.000 2.163 159 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 159 I C 2.397 178.454 176.117 -0.100 0.000 1.085 159 I CA 1.968 63.188 61.300 -0.133 0.000 1.347 159 I CB -0.404 37.509 38.000 -0.145 0.000 1.044 159 I HN 0.526 nan 8.210 nan 0.000 0.408 160 F N 1.728 121.534 119.950 -0.240 0.000 2.069 160 F HA -0.359 4.167 4.527 -0.001 0.000 0.298 160 F C 2.701 178.432 175.800 -0.115 0.000 1.113 160 F CA 2.250 60.130 58.000 -0.199 0.000 1.214 160 F CB -0.456 38.381 39.000 -0.272 0.000 0.978 160 F HN 0.010 nan 8.300 nan 0.000 0.474 161 Q N 0.552 120.200 119.800 -0.252 0.000 2.112 161 Q HA -0.258 4.081 4.340 -0.001 0.000 0.206 161 Q C 2.419 178.229 176.000 -0.316 0.000 0.987 161 Q CA 2.682 58.296 55.803 -0.315 0.000 0.858 161 Q CB -0.667 28.032 28.738 -0.064 0.000 0.905 161 Q HN 0.530 nan 8.270 nan 0.000 0.420 162 S N -1.033 114.544 115.700 -0.205 0.000 2.343 162 S HA -0.170 4.299 4.470 -0.001 0.000 0.219 162 S C 2.065 176.536 174.600 -0.215 0.000 1.033 162 S CA 1.602 59.711 58.200 -0.152 0.000 1.014 162 S CB -0.715 62.438 63.200 -0.078 0.000 0.915 162 S HN 0.557 nan 8.310 nan 0.000 0.435 163 S N 1.520 117.074 115.700 -0.243 0.000 2.380 163 S HA -0.204 4.265 4.470 -0.001 0.000 0.229 163 S C 1.845 176.237 174.600 -0.346 0.000 1.043 163 S CA 1.923 59.969 58.200 -0.256 0.000 1.038 163 S CB -0.633 62.436 63.200 -0.218 0.000 0.872 163 S HN 0.623 nan 8.310 nan 0.000 0.456 164 M N 2.086 121.388 119.600 -0.496 0.000 2.086 164 M HA -0.097 4.383 4.480 -0.001 0.000 0.261 164 M C 1.962 178.071 176.300 -0.319 0.000 1.067 164 M CA 1.786 56.790 55.300 -0.492 0.000 1.116 164 M CB -1.631 30.540 32.600 -0.715 0.000 1.348 164 M HN 0.216 nan 8.290 nan 0.000 0.407 165 T N 1.192 115.592 114.554 -0.256 0.000 2.665 165 T HA -0.174 4.176 4.350 -0.001 0.000 0.268 165 T C 1.861 176.471 174.700 -0.149 0.000 1.035 165 T CA 1.691 63.697 62.100 -0.157 0.000 1.151 165 T CB -0.238 68.567 68.868 -0.106 0.000 0.862 165 T HN 0.401 nan 8.240 nan 0.000 0.438 166 K N 0.879 121.167 120.400 -0.186 0.000 1.978 166 K HA -0.013 4.306 4.320 -0.001 0.000 0.214 166 K C 2.292 178.735 176.600 -0.262 0.000 1.049 166 K CA 1.286 57.455 56.287 -0.197 0.000 0.939 166 K CB -0.734 31.630 32.500 -0.227 0.000 0.721 166 K HN 0.342 nan 8.250 nan 0.000 0.441 167 I N 1.564 121.884 120.570 -0.417 0.000 2.367 167 I HA -0.308 3.862 4.170 -0.001 0.000 0.256 167 I C 2.114 178.056 176.117 -0.292 0.000 1.132 167 I CA 1.303 62.253 61.300 -0.582 0.000 1.397 167 I CB -0.338 37.265 38.000 -0.661 0.000 1.074 167 I HN 0.172 nan 8.210 nan 0.000 0.435 168 L N -0.539 120.585 121.223 -0.164 0.000 2.446 168 L HA -0.021 4.318 4.340 -0.001 0.000 0.219 168 L C 2.411 179.354 176.870 0.122 0.000 1.116 168 L CA 0.113 54.958 54.840 0.008 0.000 0.844 168 L CB -0.461 41.579 42.059 -0.032 0.000 0.970 168 L HN 0.153 nan 8.230 nan 0.000 0.457 169 E N 1.152 121.377 120.200 0.042 0.000 2.048 169 E HA -0.213 4.137 4.350 -0.001 0.000 0.202 169 E C -0.296 176.365 176.600 0.102 0.000 1.021 169 E CA 1.966 58.400 56.400 0.056 0.000 0.825 169 E CB -1.295 28.410 29.700 0.008 0.000 0.756 169 E HN 0.308 nan 8.360 nan 0.000 0.454 170 P HA -0.156 nan 4.420 nan 0.000 0.210 170 P C 1.568 178.937 177.300 0.115 0.000 1.185 170 P CA 1.202 64.365 63.100 0.105 0.000 0.924 170 P CB -0.410 31.363 31.700 0.122 0.000 0.786 171 F N 0.535 120.506 119.950 0.035 0.000 2.141 171 F HA -0.315 4.211 4.527 -0.001 0.000 0.300 171 F C 2.238 178.059 175.800 0.036 0.000 1.079 171 F CA 1.706 59.721 58.000 0.023 0.000 1.264 171 F CB -0.243 38.833 39.000 0.128 0.000 1.011 171 F HN -0.222 nan 8.300 nan 0.000 0.487 172 R N 0.243 120.904 120.500 0.267 0.000 2.066 172 R HA -0.146 4.194 4.340 -0.001 0.000 0.232 172 R C 2.259 178.575 176.300 0.026 0.000 1.131 172 R CA 1.624 57.820 56.100 0.160 0.000 0.955 172 R CB -0.532 29.854 30.300 0.144 0.000 0.851 172 R HN 0.326 nan 8.270 nan 0.000 0.432 173 K N 0.878 121.288 120.400 0.017 0.000 2.063 173 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 173 K C 2.117 178.681 176.600 -0.061 0.000 1.048 173 K CA 1.640 57.919 56.287 -0.013 0.000 0.928 173 K CB -0.037 32.462 32.500 -0.001 0.000 0.713 173 K HN 0.299 nan 8.250 nan 0.000 0.442 174 Q N -0.128 119.600 119.800 -0.120 0.000 2.378 174 Q HA 0.017 4.357 4.340 -0.001 0.000 0.205 174 Q C 0.207 176.068 176.000 -0.233 0.000 0.954 174 Q CA 0.580 56.279 55.803 -0.173 0.000 0.901 174 Q CB 0.316 28.926 28.738 -0.214 0.000 0.981 174 Q HN 0.252 nan 8.270 nan 0.000 0.483 175 N N 0.820 119.347 118.700 -0.288 0.000 2.644 175 N HA 0.112 4.851 4.740 -0.001 0.000 0.313 175 N C -2.241 173.209 175.510 -0.101 0.000 1.863 175 N CA -0.799 52.098 53.050 -0.255 0.000 0.918 175 N CB 0.982 39.175 38.487 -0.491 0.000 1.320 175 N HN 0.106 nan 8.380 nan 0.000 0.490 176 P HA -0.183 nan 4.420 nan 0.000 0.221 176 P C 0.557 177.860 177.300 0.005 0.000 1.141 176 P CA 1.421 64.513 63.100 -0.013 0.000 0.794 176 P CB 0.218 31.909 31.700 -0.017 0.000 0.764 177 D N -1.361 119.039 120.400 0.001 0.000 2.340 177 D HA 0.022 4.662 4.640 -0.001 0.000 0.220 177 D C 0.669 176.995 176.300 0.043 0.000 1.039 177 D CA -0.084 53.926 54.000 0.016 0.000 0.866 177 D CB -0.309 40.496 40.800 0.009 0.000 0.913 177 D HN 0.168 nan 8.370 nan 0.000 0.523 178 I N 0.780 121.388 120.570 0.063 0.000 2.488 178 I HA 0.177 4.347 4.170 -0.001 0.000 0.299 178 I C -0.124 176.065 176.117 0.121 0.000 0.984 178 I CA -1.051 60.323 61.300 0.123 0.000 1.250 178 I CB 2.148 40.267 38.000 0.197 0.000 1.389 178 I HN -0.257 nan 8.210 nan 0.000 0.488 179 V N 6.782 126.770 119.914 0.123 0.000 2.443 179 V HA 0.497 4.617 4.120 -0.001 0.000 0.293 179 V C -0.219 175.944 176.094 0.115 0.000 1.021 179 V CA -0.518 61.840 62.300 0.097 0.000 0.848 179 V CB 1.324 33.177 31.823 0.050 0.000 0.998 179 V HN 0.433 nan 8.190 nan 0.000 0.424 180 I N 4.711 125.355 120.570 0.123 0.000 2.441 180 I HA 0.495 4.664 4.170 -0.001 0.000 0.295 180 I C -1.050 175.182 176.117 0.191 0.000 0.994 180 I CA -0.766 60.615 61.300 0.135 0.000 1.144 180 I CB 1.929 39.988 38.000 0.098 0.000 1.314 180 I HN 0.663 nan 8.210 nan 0.000 0.445 181 Y N 5.430 125.757 120.300 0.044 0.000 2.338 181 Y HA 0.406 4.956 4.550 -0.000 0.000 0.328 181 Y C -0.729 175.245 175.900 0.123 0.000 0.965 181 Y CA -0.866 57.257 58.100 0.037 0.000 1.208 181 Y CB 1.135 39.555 38.460 -0.067 0.000 1.132 181 Y HN 0.548 nan 8.280 nan 0.000 0.469 182 Q N 6.222 125.911 119.800 -0.186 0.000 2.256 182 Q HA 0.280 4.619 4.340 -0.001 0.000 0.254 182 Q C -1.767 173.921 176.000 -0.521 0.000 0.916 182 Q CA -0.601 55.051 55.803 -0.251 0.000 0.932 182 Q CB 2.123 30.804 28.738 -0.096 0.000 1.207 182 Q HN 0.718 nan 8.270 nan 0.000 0.426 183 Y N 3.451 123.488 120.300 -0.439 0.000 2.348 183 Y HA 0.272 4.822 4.550 -0.000 0.000 0.321 183 Y C -0.153 175.737 175.900 -0.017 0.000 1.163 183 Y CA -0.742 57.193 58.100 -0.274 0.000 1.070 183 Y CB 0.972 39.225 38.460 -0.344 0.000 1.250 183 Y HN 0.831 nan 8.280 nan 0.000 0.425 184 M N 2.507 121.716 119.600 -0.653 0.000 7.319 184 M HA -0.356 4.124 4.480 -0.001 0.000 0.298 184 M C -0.613 175.571 176.300 -0.194 0.000 0.480 184 M CA 2.520 57.502 55.300 -0.530 0.000 1.311 184 M CB -1.218 30.964 32.600 -0.697 0.000 0.421 184 M HN 0.811 nan 8.290 nan 0.000 0.605 185 D N 1.137 121.439 120.400 -0.163 0.000 3.008 185 D HA 0.393 5.033 4.640 -0.001 0.000 0.312 185 D C -1.419 174.859 176.300 -0.038 0.000 1.361 185 D CA 0.067 54.008 54.000 -0.098 0.000 0.858 185 D CB 0.040 40.743 40.800 -0.162 0.000 1.098 185 D HN 0.310 nan 8.370 nan 0.000 0.482 186 D N -0.038 120.362 120.400 0.000 0.000 2.756 186 D HA 0.420 5.059 4.640 -0.001 0.000 0.226 186 D C -0.617 175.660 176.300 -0.039 0.000 1.186 186 D CA -0.403 53.575 54.000 -0.037 0.000 0.845 186 D CB 2.029 42.869 40.800 0.066 0.000 1.610 186 D HN -0.026 nan 8.370 nan 0.000 0.465 187 L N 2.526 123.653 121.223 -0.161 0.000 2.485 187 L HA 0.322 4.662 4.340 -0.001 0.000 0.260 187 L C -1.222 175.575 176.870 -0.123 0.000 0.998 187 L CA -0.750 54.045 54.840 -0.075 0.000 0.883 187 L CB 0.820 42.829 42.059 -0.084 0.000 1.196 187 L HN 0.255 nan 8.230 nan 0.000 0.443 188 Y N 2.434 122.696 120.300 -0.064 0.000 2.327 188 Y HA 0.458 5.008 4.550 -0.000 0.000 0.336 188 Y C 0.244 176.137 175.900 -0.013 0.000 1.035 188 Y CA -0.784 57.267 58.100 -0.082 0.000 1.165 188 Y CB 1.365 39.760 38.460 -0.109 0.000 1.181 188 Y HN 0.105 nan 8.280 nan 0.000 0.494 189 V N 3.042 123.032 119.914 0.128 0.000 2.483 189 V HA 0.838 4.958 4.120 -0.001 0.000 0.297 189 V C 0.206 176.420 176.094 0.200 0.000 1.027 189 V CA -0.807 61.578 62.300 0.141 0.000 0.855 189 V CB 1.394 33.277 31.823 0.100 0.000 0.995 189 V HN 0.932 nan 8.190 nan 0.000 0.424 190 G N 2.553 111.449 108.800 0.161 0.000 2.569 190 G HA2 0.886 4.845 3.960 -0.001 0.000 0.300 190 G HA3 0.886 4.845 3.960 -0.001 0.000 0.300 190 G C -0.663 174.291 174.900 0.090 0.000 1.269 190 G CA -0.075 45.093 45.100 0.113 0.000 0.959 190 G HN 1.102 nan 8.290 nan 0.000 0.478 191 S N -1.158 114.527 115.700 -0.024 0.000 2.661 191 S HA 0.495 4.965 4.470 -0.001 0.000 0.268 191 S C -1.069 173.491 174.600 -0.066 0.000 1.162 191 S CA -0.653 57.547 58.200 0.001 0.000 0.817 191 S CB 1.940 65.213 63.200 0.122 0.000 1.141 191 S HN 0.304 nan 8.310 nan 0.000 0.477 192 D N 0.433 120.823 120.400 -0.018 0.000 2.431 192 D HA 0.357 4.997 4.640 -0.001 0.000 0.213 192 D C 0.535 176.831 176.300 -0.006 0.000 1.130 192 D CA 0.004 53.991 54.000 -0.022 0.000 0.834 192 D CB 0.083 40.878 40.800 -0.008 0.000 0.985 192 D HN 0.434 nan 8.370 nan 0.000 0.504 193 L N 0.591 121.824 121.223 0.018 0.000 2.470 193 L HA 0.138 4.478 4.340 -0.001 0.000 0.243 193 L C 1.137 178.030 176.870 0.038 0.000 1.227 193 L CA -0.407 54.461 54.840 0.047 0.000 0.824 193 L CB 0.348 42.470 42.059 0.104 0.000 1.175 193 L HN -0.225 nan 8.230 nan 0.000 0.503 194 E N 0.631 120.863 120.200 0.054 0.000 2.374 194 E HA 0.045 4.394 4.350 -0.001 0.000 0.260 194 E C 0.906 177.557 176.600 0.086 0.000 1.101 194 E CA -0.102 56.328 56.400 0.050 0.000 0.907 194 E CB 1.131 30.855 29.700 0.041 0.000 1.014 194 E HN 0.597 nan 8.360 nan 0.000 0.427 195 I N -0.397 120.215 120.570 0.071 0.000 2.399 195 I HA -0.181 3.988 4.170 -0.001 0.000 0.254 195 I C 1.353 177.538 176.117 0.112 0.000 1.146 195 I CA 2.119 63.480 61.300 0.102 0.000 1.412 195 I CB -0.025 38.016 38.000 0.069 0.000 1.076 195 I HN 0.434 nan 8.210 nan 0.000 0.432 196 G N -0.116 108.732 108.800 0.080 0.000 2.437 196 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.212 196 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.212 196 G C 1.499 176.439 174.900 0.068 0.000 1.174 196 G CA 0.217 45.354 45.100 0.062 0.000 0.811 196 G HN 0.407 nan 8.290 nan 0.000 0.537 197 Q N -0.072 119.773 119.800 0.076 0.000 2.077 197 Q HA -0.211 4.129 4.340 -0.001 0.000 0.206 197 Q C 2.240 178.302 176.000 0.103 0.000 0.989 197 Q CA 1.885 57.734 55.803 0.076 0.000 0.853 197 Q CB -0.370 28.412 28.738 0.073 0.000 0.907 197 Q HN 0.673 nan 8.270 nan 0.000 0.418 198 H N 0.820 119.914 119.070 0.042 0.000 2.290 198 H HA -0.083 4.473 4.556 -0.001 0.000 0.298 198 H C 2.120 177.481 175.328 0.054 0.000 1.087 198 H CA 2.108 58.187 56.048 0.052 0.000 1.291 198 H CB -0.068 29.724 29.762 0.050 0.000 1.369 198 H HN 0.036 nan 8.280 nan 0.000 0.492 199 R N -0.419 120.067 120.500 -0.023 0.000 2.103 199 R HA -0.143 4.197 4.340 -0.001 0.000 0.242 199 R C 1.892 178.157 176.300 -0.058 0.000 1.142 199 R CA 2.066 58.126 56.100 -0.067 0.000 0.960 199 R CB -0.389 29.916 30.300 0.010 0.000 0.858 199 R HN 0.483 nan 8.270 nan 0.000 0.439 200 T N 1.213 115.760 114.554 -0.012 0.000 2.737 200 T HA -0.083 4.267 4.350 -0.001 0.000 0.265 200 T C 1.778 176.487 174.700 0.016 0.000 1.038 200 T CA 0.906 63.011 62.100 0.007 0.000 1.144 200 T CB -0.093 68.790 68.868 0.025 0.000 0.866 200 T HN 0.111 nan 8.240 nan 0.000 0.434 201 K N 0.943 121.357 120.400 0.023 0.000 2.032 201 K HA 0.032 4.351 4.320 -0.001 0.000 0.209 201 K C 2.249 178.895 176.600 0.077 0.000 1.048 201 K CA 1.024 57.363 56.287 0.086 0.000 0.927 201 K CB -0.914 31.654 32.500 0.114 0.000 0.712 201 K HN 0.279 nan 8.250 nan 0.000 0.441 202 I N 1.355 121.891 120.570 -0.057 0.000 2.145 202 I HA -0.311 3.858 4.170 -0.001 0.000 0.244 202 I C 2.301 178.388 176.117 -0.050 0.000 1.075 202 I CA 1.552 62.796 61.300 -0.094 0.000 1.332 202 I CB -0.273 37.616 38.000 -0.185 0.000 1.033 202 I HN 0.212 nan 8.210 nan 0.000 0.410 203 E N 0.407 120.589 120.200 -0.030 0.000 2.267 203 E HA -0.271 4.079 4.350 -0.001 0.000 0.197 203 E C 2.026 178.643 176.600 0.029 0.000 0.998 203 E CA 1.370 57.764 56.400 -0.010 0.000 0.830 203 E CB -0.179 29.519 29.700 -0.002 0.000 0.751 203 E HN 0.532 nan 8.360 nan 0.000 0.491 204 E N -0.353 119.893 120.200 0.077 0.000 2.072 204 E HA -0.130 4.220 4.350 -0.001 0.000 0.190 204 E C 2.073 178.760 176.600 0.145 0.000 0.982 204 E CA 0.683 57.173 56.400 0.150 0.000 0.803 204 E CB -0.107 29.742 29.700 0.247 0.000 0.755 204 E HN 0.354 nan 8.360 nan 0.000 0.453 205 L N 0.653 121.886 121.223 0.018 0.000 1.994 205 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 205 L C 2.747 179.567 176.870 -0.083 0.000 1.071 205 L CA 1.311 56.015 54.840 -0.227 0.000 0.745 205 L CB -0.245 41.568 42.059 -0.411 0.000 0.892 205 L HN 0.153 nan 8.230 nan 0.000 0.431 206 R N -0.758 119.697 120.500 -0.075 0.000 2.112 206 R HA -0.246 4.093 4.340 -0.001 0.000 0.242 206 R C 2.255 178.549 176.300 -0.011 0.000 1.137 206 R CA 1.798 57.854 56.100 -0.074 0.000 0.944 206 R CB -0.369 29.882 30.300 -0.083 0.000 0.857 206 R HN 0.472 nan 8.270 nan 0.000 0.435 207 Q N -0.556 119.268 119.800 0.041 0.000 2.084 207 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 207 Q C 2.003 178.097 176.000 0.156 0.000 0.978 207 Q CA 1.509 57.361 55.803 0.081 0.000 0.844 207 Q CB -0.625 28.162 28.738 0.082 0.000 0.898 207 Q HN 0.642 nan 8.270 nan 0.000 0.426 208 H N 0.289 119.398 119.070 0.065 0.000 2.290 208 H HA -0.102 4.454 4.556 -0.001 0.000 0.298 208 H C 2.088 177.541 175.328 0.208 0.000 1.087 208 H CA 1.339 57.472 56.048 0.141 0.000 1.291 208 H CB 0.099 29.927 29.762 0.110 0.000 1.369 208 H HN 0.139 nan 8.280 nan 0.000 0.492 209 L N 0.092 121.320 121.223 0.009 0.000 2.056 209 L HA -0.186 4.154 4.340 -0.001 0.000 0.207 209 L C 2.786 179.709 176.870 0.089 0.000 1.078 209 L CA 0.508 55.317 54.840 -0.052 0.000 0.749 209 L CB -0.357 41.635 42.059 -0.111 0.000 0.901 209 L HN 0.258 nan 8.230 nan 0.000 0.433 210 L N -0.070 121.197 121.223 0.074 0.000 2.079 210 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 210 L C 2.852 179.783 176.870 0.102 0.000 1.081 210 L CA 1.514 56.408 54.840 0.090 0.000 0.752 210 L CB -0.611 41.490 42.059 0.070 0.000 0.896 210 L HN 0.172 nan 8.230 nan 0.000 0.433 211 R N -0.669 119.896 120.500 0.109 0.000 2.096 211 R HA -0.224 4.116 4.340 -0.001 0.000 0.240 211 R C 1.015 177.263 176.300 -0.088 0.000 1.139 211 R CA 1.900 58.000 56.100 0.000 0.000 0.952 211 R CB -0.727 29.597 30.300 0.039 0.000 0.854 211 R HN 0.468 nan 8.270 nan 0.000 0.436 212 W N 0.257 121.569 121.300 0.019 0.000 3.314 212 W HA 0.332 4.991 4.660 -0.001 0.000 0.419 212 W C 1.086 177.620 176.519 0.026 0.000 1.021 212 W CA 0.362 57.715 57.345 0.013 0.000 1.935 212 W CB -0.126 29.318 29.460 -0.026 0.000 1.008 212 W HN 0.424 nan 8.180 nan 0.000 0.803 213 G N 0.373 109.285 108.800 0.187 0.000 2.162 213 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.260 213 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.260 213 G C -0.081 174.927 174.900 0.180 0.000 0.976 213 G CA -0.176 45.023 45.100 0.165 0.000 0.655 213 G HN 0.250 nan 8.290 nan 0.000 0.533 214 L N 0.659 121.988 121.223 0.176 0.000 2.283 214 L HA 0.488 4.827 4.340 -0.001 0.000 0.281 214 L C 0.340 177.294 176.870 0.141 0.000 1.033 214 L CA -1.283 53.654 54.840 0.163 0.000 0.848 214 L CB 0.758 42.891 42.059 0.123 0.000 1.226 214 L HN 0.236 nan 8.230 nan 0.000 0.429 215 Y N 3.861 124.201 120.300 0.066 0.000 2.304 215 Y HA 0.492 5.041 4.550 -0.001 0.000 0.327 215 Y C -0.001 175.922 175.900 0.038 0.000 1.209 215 Y CA -0.399 57.730 58.100 0.048 0.000 1.299 215 Y CB 1.277 39.762 38.460 0.043 0.000 1.249 215 Y HN 0.559 nan 8.280 nan 0.000 0.519 216 T N 5.570 119.509 114.554 -1.026 0.000 2.933 216 T HA 0.443 4.792 4.350 -0.001 0.000 0.305 216 T C -2.852 171.270 174.700 -0.963 0.000 1.092 216 T CA -1.767 59.923 62.100 -0.682 0.000 1.008 216 T CB 1.736 70.414 68.868 -0.316 0.000 1.102 216 T HN 0.368 nan 8.240 nan 0.000 0.469 217 P HA 0.227 nan 4.420 nan 0.000 0.274 217 P C -0.400 176.859 177.300 -0.067 0.000 1.264 217 P CA -0.227 62.846 63.100 -0.044 0.000 0.795 217 P CB 0.332 32.119 31.700 0.144 0.000 1.064 218 D N -1.497 118.945 120.400 0.070 0.000 2.539 218 D HA 0.219 4.858 4.640 -0.001 0.000 0.280 218 D C 0.925 177.204 176.300 -0.035 0.000 1.208 218 D CA -0.619 53.379 54.000 -0.004 0.000 1.088 218 D CB 0.230 41.039 40.800 0.015 0.000 1.149 218 D HN 0.169 nan 8.370 nan 0.000 0.596 219 K N -0.737 119.630 120.400 -0.055 0.000 2.283 219 K HA -0.093 4.226 4.320 -0.001 0.000 0.202 219 K C 1.552 178.099 176.600 -0.088 0.000 1.048 219 K CA 0.983 57.239 56.287 -0.052 0.000 0.948 219 K CB 0.081 32.558 32.500 -0.039 0.000 0.742 219 K HN 0.237 nan 8.250 nan 0.000 0.458 220 K N -0.273 120.012 120.400 -0.191 0.000 1.991 220 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 220 K C 0.328 176.745 176.600 -0.305 0.000 1.045 220 K CA 0.897 56.997 56.287 -0.313 0.000 0.937 220 K CB -0.028 32.146 32.500 -0.543 0.000 0.720 220 K HN 0.278 nan 8.250 nan 0.000 0.438 221 H N 1.340 120.429 119.070 0.032 0.000 2.923 221 H HA 0.177 4.733 4.556 -0.001 0.000 0.251 221 H C -0.042 175.305 175.328 0.031 0.000 1.741 221 H CA 0.105 56.175 56.048 0.037 0.000 1.387 221 H CB 0.291 30.084 29.762 0.052 0.000 1.740 221 H HN 0.227 nan 8.280 nan 0.000 0.544 222 Q N 1.449 121.302 119.800 0.088 0.000 3.321 222 Q HA 0.497 4.836 4.340 -0.001 0.000 0.257 222 Q C -0.728 175.330 176.000 0.096 0.000 1.041 222 Q CA -0.745 55.102 55.803 0.073 0.000 0.789 222 Q CB 1.854 30.623 28.738 0.052 0.000 2.366 222 Q HN 0.379 nan 8.270 nan 0.000 0.416 223 K N 0.425 120.903 120.400 0.129 0.000 2.464 223 K HA 0.476 4.796 4.320 -0.001 0.000 0.253 223 K C -1.345 175.406 176.600 0.252 0.000 0.933 223 K CA -0.906 55.497 56.287 0.194 0.000 0.801 223 K CB 1.996 34.645 32.500 0.249 0.000 1.271 223 K HN 0.252 nan 8.250 nan 0.000 0.430 224 E N 1.826 122.085 120.200 0.099 0.000 2.202 224 E HA 0.388 4.738 4.350 -0.001 0.000 0.272 224 E C -2.522 173.741 176.600 -0.561 0.000 0.951 224 E CA -2.438 53.905 56.400 -0.094 0.000 0.813 224 E CB 1.258 30.917 29.700 -0.069 0.000 1.151 224 E HN 0.279 nan 8.360 nan 0.000 0.398 225 P HA 0.139 nan 4.420 nan 0.000 0.271 225 P C -2.067 174.900 177.300 -0.556 0.000 1.218 225 P CA -0.719 61.809 63.100 -0.953 0.000 0.780 225 P CB -0.027 31.409 31.700 -0.440 0.000 0.901 226 P HA 0.275 nan 4.420 nan 0.000 0.277 226 P C -1.137 175.865 177.300 -0.496 0.000 1.276 226 P CA 0.024 62.850 63.100 -0.457 0.000 0.788 226 P CB 0.568 32.149 31.700 -0.198 0.000 1.114 227 F N -1.310 118.750 119.950 0.183 0.000 2.532 227 F HA 0.403 4.929 4.527 -0.001 0.000 0.321 227 F C 0.334 176.299 175.800 0.275 0.000 1.089 227 F CA -0.897 57.242 58.000 0.232 0.000 0.926 227 F CB 1.323 40.500 39.000 0.294 0.000 1.168 227 F HN -0.022 nan 8.300 nan 0.000 0.459 228 L N 3.030 124.519 121.223 0.443 0.000 2.290 228 L HA 0.241 4.581 4.340 -0.001 0.000 0.284 228 L C -0.800 176.336 176.870 0.442 0.000 1.078 228 L CA -0.199 54.863 54.840 0.370 0.000 0.815 228 L CB 0.948 43.159 42.059 0.253 0.000 1.162 228 L HN 0.657 nan 8.230 nan 0.000 0.435 229 W N 7.213 128.603 121.300 0.151 0.000 2.604 229 W HA 0.224 4.883 4.660 -0.002 0.000 0.302 229 W C -0.916 175.613 176.519 0.017 0.000 1.013 229 W CA -0.957 56.409 57.345 0.035 0.000 1.338 229 W CB 1.469 30.892 29.460 -0.061 0.000 1.233 229 W HN 0.498 nan 8.180 nan 0.000 0.390 230 M N 4.626 124.057 119.600 -0.281 0.000 2.350 230 M HA -0.208 4.271 4.480 -0.001 0.000 0.190 230 M C 1.060 177.410 176.300 0.083 0.000 0.710 230 M CA 1.889 57.029 55.300 -0.266 0.000 0.495 230 M CB -2.521 29.736 32.600 -0.571 0.000 1.136 230 M HN 0.975 nan 8.290 nan 0.000 0.901 231 G N -2.042 106.828 108.800 0.116 0.000 2.284 231 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.230 231 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.230 231 G C -0.190 174.910 174.900 0.334 0.000 1.021 231 G CA 0.166 45.391 45.100 0.209 0.000 0.619 231 G HN 0.559 nan 8.290 nan 0.000 0.510 232 Y N 1.187 121.582 120.300 0.158 0.000 2.432 232 Y HA 0.702 5.251 4.550 -0.001 0.000 0.322 232 Y C 0.705 176.759 175.900 0.257 0.000 1.246 232 Y CA -1.173 57.042 58.100 0.192 0.000 1.268 232 Y CB 0.918 39.430 38.460 0.086 0.000 1.276 232 Y HN 0.175 nan 8.280 nan 0.000 0.499 233 E N 1.700 122.183 120.200 0.472 0.000 2.158 233 E HA 0.505 4.855 4.350 -0.001 0.000 0.271 233 E C -1.486 175.437 176.600 0.539 0.000 0.911 233 E CA -0.542 56.114 56.400 0.427 0.000 0.767 233 E CB 1.358 31.274 29.700 0.360 0.000 1.120 233 E HN 0.418 nan 8.360 nan 0.000 0.405 234 L N 3.879 125.409 121.223 0.511 0.000 2.305 234 L HA 0.436 4.776 4.340 -0.001 0.000 0.284 234 L C -0.455 176.742 176.870 0.545 0.000 1.013 234 L CA -0.796 54.392 54.840 0.579 0.000 0.819 234 L CB 0.706 43.054 42.059 0.481 0.000 1.227 234 L HN 0.492 nan 8.230 nan 0.000 0.417 235 H N 3.148 122.434 119.070 0.361 0.000 2.559 235 H HA 0.343 4.899 4.556 -0.000 0.000 0.343 235 H C -1.670 173.857 175.328 0.331 0.000 1.209 235 H CA -2.006 54.198 56.048 0.260 0.000 1.287 235 H CB 0.838 30.714 29.762 0.190 0.000 1.650 235 H HN 0.311 nan 8.280 nan 0.000 0.567 236 P HA -0.060 nan 4.420 nan 0.000 0.231 236 P C 0.090 177.555 177.300 0.276 0.000 1.168 236 P CA 0.941 64.171 63.100 0.217 0.000 0.779 236 P CB 0.679 32.452 31.700 0.120 0.000 0.844 237 D N -0.469 120.149 120.400 0.363 0.000 2.379 237 D HA 0.012 4.652 4.640 -0.001 0.000 0.218 237 D C 0.993 177.506 176.300 0.355 0.000 1.006 237 D CA 0.727 54.914 54.000 0.312 0.000 0.893 237 D CB 0.240 41.134 40.800 0.157 0.000 1.019 237 D HN 0.236 nan 8.370 nan 0.000 0.503 238 K N -0.399 120.168 120.400 0.277 0.000 2.507 238 K HA 0.282 4.602 4.320 -0.001 0.000 0.284 238 K C -1.336 175.243 176.600 -0.036 0.000 1.038 238 K CA -0.865 55.303 56.287 -0.198 0.000 0.903 238 K CB 1.450 33.748 32.500 -0.338 0.000 1.531 238 K HN 0.239 nan 8.250 nan 0.000 0.430 239 W N -0.046 121.132 121.300 -0.204 0.000 2.992 239 W HA 0.690 5.348 4.660 -0.003 0.000 0.342 239 W C -1.298 175.262 176.519 0.068 0.000 1.176 239 W CA -1.036 56.338 57.345 0.048 0.000 1.118 239 W CB 1.096 30.645 29.460 0.149 0.000 1.457 239 W HN 0.807 nan 8.180 nan 0.000 0.573 240 T N -1.744 113.209 114.554 0.664 0.000 2.853 240 T HA 0.529 4.879 4.350 -0.001 0.000 0.311 240 T C -1.698 173.211 174.700 0.348 0.000 1.307 240 T CA -0.705 61.670 62.100 0.457 0.000 1.019 240 T CB 1.863 70.900 68.868 0.282 0.000 1.264 240 T HN 0.403 nan 8.240 nan 0.000 0.497 241 V N 2.955 122.968 119.914 0.165 0.000 2.334 241 V HA 0.311 4.431 4.120 -0.001 0.000 0.281 241 V C 0.389 176.559 176.094 0.126 0.000 1.016 241 V CA -0.926 61.404 62.300 0.050 0.000 0.832 241 V CB 1.070 32.849 31.823 -0.072 0.000 0.999 241 V HN 0.997 nan 8.190 nan 0.000 0.439 242 Q N 6.566 126.451 119.800 0.141 0.000 2.264 242 Q HA 0.128 4.467 4.340 -0.001 0.000 0.296 242 Q C -2.140 173.939 176.000 0.131 0.000 1.103 242 Q CA -1.054 54.826 55.803 0.129 0.000 0.967 242 Q CB -0.247 28.557 28.738 0.110 0.000 1.090 242 Q HN 0.471 nan 8.270 nan 0.000 0.379 243 P HA -0.016 nan 4.420 nan 0.000 0.261 243 P C -0.583 176.749 177.300 0.054 0.000 1.203 243 P CA -0.109 63.052 63.100 0.103 0.000 0.767 243 P CB 0.413 32.162 31.700 0.081 0.000 0.785 244 I N 5.325 125.917 120.570 0.037 0.000 2.945 244 I HA 0.119 4.289 4.170 -0.001 0.000 0.292 244 I C -0.127 175.984 176.117 -0.010 0.000 1.093 244 I CA -0.516 60.789 61.300 0.007 0.000 1.336 244 I CB 1.343 39.343 38.000 0.000 0.000 1.435 244 I HN 0.256 nan 8.210 nan 0.000 0.593 245 V N 5.182 125.093 119.914 -0.005 0.000 2.555 245 V HA 0.556 4.676 4.120 -0.001 0.000 0.302 245 V C -0.680 175.423 176.094 0.015 0.000 1.038 245 V CA -0.782 61.519 62.300 0.002 0.000 0.887 245 V CB 1.418 33.245 31.823 0.007 0.000 0.991 245 V HN 0.541 nan 8.190 nan 0.000 0.434 246 L N 6.257 127.497 121.223 0.030 0.000 2.313 246 L HA 0.486 4.826 4.340 -0.001 0.000 0.273 246 L C -1.948 174.986 176.870 0.107 0.000 1.028 246 L CA -1.585 53.298 54.840 0.073 0.000 0.871 246 L CB 1.552 43.647 42.059 0.059 0.000 1.242 246 L HN 0.541 nan 8.230 nan 0.000 0.434 247 P HA -0.012 nan 4.420 nan 0.000 0.270 247 P C -0.667 176.734 177.300 0.169 0.000 1.221 247 P CA -0.013 63.131 63.100 0.074 0.000 0.788 247 P CB 1.242 32.932 31.700 -0.016 0.000 0.904 248 E N 0.825 121.085 120.200 0.100 0.000 2.288 248 E HA 0.580 4.930 4.350 -0.001 0.000 0.268 248 E C -0.695 175.934 176.600 0.048 0.000 0.885 248 E CA -0.637 55.872 56.400 0.182 0.000 0.767 248 E CB 1.445 31.224 29.700 0.132 0.000 1.220 248 E HN 0.552 nan 8.360 nan 0.000 0.427 249 K N 1.792 122.259 120.400 0.113 0.000 2.886 249 K HA 0.309 4.629 4.320 -0.001 0.000 0.291 249 K C -0.760 175.896 176.600 0.094 0.000 1.057 249 K CA -0.667 55.590 56.287 -0.050 0.000 0.797 249 K CB 0.084 32.376 32.500 -0.346 0.000 1.490 249 K HN 0.269 nan 8.250 nan 0.000 0.365 250 D N 0.449 120.847 120.400 -0.003 0.000 2.369 250 D HA -0.037 4.603 4.640 -0.001 0.000 0.231 250 D C 0.359 176.720 176.300 0.102 0.000 0.967 250 D CA 0.622 54.678 54.000 0.094 0.000 0.905 250 D CB 0.178 41.003 40.800 0.041 0.000 1.044 250 D HN 0.356 nan 8.370 nan 0.000 0.487 251 S N -0.142 115.504 115.700 -0.090 0.000 2.474 251 S HA 0.241 4.710 4.470 -0.001 0.000 0.276 251 S C -1.338 173.094 174.600 -0.282 0.000 1.227 251 S CA -0.529 57.614 58.200 -0.095 0.000 1.050 251 S CB 0.061 63.195 63.200 -0.110 0.000 0.939 251 S HN 0.123 nan 8.310 nan 0.000 0.490 252 W N 3.785 125.082 121.300 -0.005 0.000 2.591 252 W HA 0.277 4.938 4.660 0.001 0.000 0.311 252 W C 0.457 176.973 176.519 -0.005 0.000 1.003 252 W CA -0.781 56.561 57.345 -0.005 0.000 1.332 252 W CB 0.836 30.293 29.460 -0.005 0.000 1.272 252 W HN 0.712 nan 8.180 nan 0.000 0.412 253 T N -1.955 112.696 114.554 0.162 0.000 2.766 253 T HA 0.164 4.514 4.350 -0.001 0.000 0.295 253 T C 1.120 175.899 174.700 0.133 0.000 1.024 253 T CA -0.580 61.585 62.100 0.109 0.000 1.018 253 T CB 1.071 69.970 68.868 0.051 0.000 1.002 253 T HN 0.156 nan 8.240 nan 0.000 0.532 254 V N 1.320 121.285 119.914 0.086 0.000 2.255 254 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 254 V C 2.747 178.889 176.094 0.079 0.000 1.051 254 V CA 2.225 64.569 62.300 0.073 0.000 1.018 254 V CB -1.459 30.392 31.823 0.046 0.000 0.641 254 V HN 0.985 nan 8.190 nan 0.000 0.445 255 N N -0.022 118.715 118.700 0.063 0.000 2.069 255 N HA -0.290 4.449 4.740 -0.001 0.000 0.196 255 N C 1.566 177.126 175.510 0.084 0.000 1.024 255 N CA 1.844 54.927 53.050 0.055 0.000 0.869 255 N CB -0.138 38.370 38.487 0.035 0.000 1.035 255 N HN 0.521 nan 8.380 nan 0.000 0.434 256 D N 0.665 121.136 120.400 0.118 0.000 2.137 256 D HA -0.173 4.467 4.640 -0.001 0.000 0.189 256 D C 1.959 178.420 176.300 0.269 0.000 0.998 256 D CA 1.071 55.190 54.000 0.199 0.000 0.839 256 D CB -0.487 40.483 40.800 0.283 0.000 0.962 256 D HN 0.333 nan 8.370 nan 0.000 0.446 257 I N 0.746 121.469 120.570 0.256 0.000 2.248 257 I HA -0.325 3.844 4.170 -0.001 0.000 0.248 257 I C 2.493 178.653 176.117 0.071 0.000 1.107 257 I CA 1.209 62.583 61.300 0.123 0.000 1.373 257 I CB -0.291 37.738 38.000 0.049 0.000 1.055 257 I HN 0.096 nan 8.210 nan 0.000 0.418 258 Q N 0.503 120.345 119.800 0.069 0.000 2.061 258 Q HA -0.216 4.124 4.340 -0.001 0.000 0.204 258 Q C 2.274 178.304 176.000 0.051 0.000 0.984 258 Q CA 1.224 57.055 55.803 0.047 0.000 0.846 258 Q CB -0.134 28.628 28.738 0.041 0.000 0.902 258 Q HN 0.388 nan 8.270 nan 0.000 0.421 259 K N 0.789 121.228 120.400 0.065 0.000 2.032 259 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 259 K C 2.102 178.740 176.600 0.063 0.000 1.048 259 K CA 0.796 57.117 56.287 0.057 0.000 0.927 259 K CB -0.713 31.823 32.500 0.061 0.000 0.712 259 K HN 0.143 nan 8.250 nan 0.000 0.441 260 L N 1.289 122.567 121.223 0.091 0.000 1.989 260 L HA -0.183 4.157 4.340 -0.001 0.000 0.211 260 L C 2.230 179.124 176.870 0.039 0.000 1.071 260 L CA 1.458 56.343 54.840 0.075 0.000 0.749 260 L CB -0.628 41.470 42.059 0.065 0.000 0.890 260 L HN -0.099 nan 8.230 nan 0.000 0.431 261 V N 0.192 120.123 119.914 0.028 0.000 2.282 261 V HA -0.302 3.818 4.120 -0.001 0.000 0.249 261 V C 2.638 178.761 176.094 0.048 0.000 1.057 261 V CA 1.955 64.270 62.300 0.024 0.000 1.032 261 V CB -1.958 29.876 31.823 0.018 0.000 0.645 261 V HN 0.650 nan 8.190 nan 0.000 0.447 262 G N -0.256 108.574 108.800 0.050 0.000 2.491 262 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.218 262 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.218 262 G C 1.650 176.602 174.900 0.087 0.000 1.180 262 G CA 1.175 46.313 45.100 0.063 0.000 0.774 262 G HN 0.487 nan 8.290 nan 0.000 0.562 263 K N -0.375 120.061 120.400 0.060 0.000 2.009 263 K HA -0.043 4.276 4.320 -0.001 0.000 0.210 263 K C 2.532 179.216 176.600 0.140 0.000 1.049 263 K CA 1.109 57.436 56.287 0.067 0.000 0.929 263 K CB -0.378 32.136 32.500 0.024 0.000 0.714 263 K HN 0.179 nan 8.250 nan 0.000 0.440 264 L N 1.773 123.050 121.223 0.090 0.000 2.127 264 L HA -0.202 4.138 4.340 -0.001 0.000 0.211 264 L C 2.094 179.032 176.870 0.114 0.000 1.089 264 L CA 1.463 56.349 54.840 0.078 0.000 0.757 264 L CB -0.733 41.342 42.059 0.027 0.000 0.899 264 L HN 0.320 nan 8.230 nan 0.000 0.434 265 N N -1.113 117.661 118.700 0.125 0.000 2.084 265 N HA -0.273 4.466 4.740 -0.001 0.000 0.190 265 N C 1.961 177.584 175.510 0.187 0.000 1.030 265 N CA 1.494 54.621 53.050 0.128 0.000 0.849 265 N CB -0.209 38.347 38.487 0.114 0.000 1.012 265 N HN 0.470 nan 8.380 nan 0.000 0.423 266 W N 1.731 123.050 121.300 0.031 0.000 2.363 266 W HA -0.027 4.634 4.660 0.002 0.000 0.296 266 W C 2.174 178.726 176.519 0.056 0.000 1.212 266 W CA 1.670 59.040 57.345 0.042 0.000 1.260 266 W CB -0.229 29.252 29.460 0.035 0.000 1.131 266 W HN 0.074 nan 8.180 nan 0.000 0.530 267 A N -0.272 122.763 122.820 0.357 0.000 2.168 267 A HA -0.085 4.235 4.320 -0.001 0.000 0.215 267 A C 1.903 179.520 177.584 0.056 0.000 1.152 267 A CA 1.581 53.727 52.037 0.181 0.000 0.716 267 A CB -0.914 18.247 19.000 0.269 0.000 0.794 267 A HN 0.256 nan 8.150 nan 0.000 0.465 268 S N 0.148 115.862 115.700 0.023 0.000 2.400 268 S HA -0.187 4.283 4.470 -0.001 0.000 0.232 268 S C 2.033 176.587 174.600 -0.076 0.000 1.025 268 S CA 1.288 59.488 58.200 -0.001 0.000 0.993 268 S CB -0.248 62.956 63.200 0.007 0.000 0.808 268 S HN 0.633 nan 8.310 nan 0.000 0.478 269 Q N 0.789 120.482 119.800 -0.177 0.000 2.030 269 Q HA -0.041 4.298 4.340 -0.001 0.000 0.204 269 Q C 2.216 178.043 176.000 -0.287 0.000 0.986 269 Q CA 1.367 57.005 55.803 -0.275 0.000 0.843 269 Q CB -0.445 28.049 28.738 -0.407 0.000 0.904 269 Q HN 0.566 nan 8.270 nan 0.000 0.420 270 I N -1.479 118.913 120.570 -0.297 0.000 2.494 270 I HA -0.118 4.051 4.170 -0.001 0.000 0.250 270 I C 0.316 176.258 176.117 -0.292 0.000 1.112 270 I CA 0.359 61.467 61.300 -0.319 0.000 1.438 270 I CB 0.131 37.882 38.000 -0.416 0.000 1.111 270 I HN 0.005 nan 8.210 nan 0.000 0.431 271 Y N 1.082 121.297 120.300 -0.141 0.000 2.361 271 Y HA 0.343 4.892 4.550 -0.002 0.000 0.332 271 Y C -2.110 173.740 175.900 -0.083 0.000 1.101 271 Y CA -2.525 55.521 58.100 -0.090 0.000 1.137 271 Y CB 0.359 38.785 38.460 -0.056 0.000 1.207 271 Y HN -0.136 nan 8.280 nan 0.000 0.463 272 P HA 0.093 nan 4.420 nan 0.000 0.318 272 P C 0.459 177.780 177.300 0.036 0.000 1.309 272 P CA 0.021 63.136 63.100 0.025 0.000 0.736 272 P CB 0.284 31.984 31.700 0.000 0.000 1.440 273 G N -0.734 108.072 108.800 0.009 0.000 2.481 273 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.328 273 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.328 273 G C 0.153 175.053 174.900 -0.001 0.000 0.890 273 G CA 0.221 45.322 45.100 0.001 0.000 0.833 273 G HN 0.276 nan 8.290 nan 0.000 0.509 274 I N -0.238 120.334 120.570 0.005 0.000 2.428 274 I HA 0.387 4.557 4.170 -0.001 0.000 0.289 274 I C 0.600 176.712 176.117 -0.009 0.000 1.019 274 I CA -0.001 61.296 61.300 -0.004 0.000 1.351 274 I CB 1.286 39.291 38.000 0.008 0.000 1.412 274 I HN 0.109 nan 8.210 nan 0.000 0.513 275 K N 4.414 124.804 120.400 -0.017 0.000 2.477 275 K HA 0.554 4.873 4.320 -0.001 0.000 0.255 275 K C -0.094 176.492 176.600 -0.023 0.000 0.952 275 K CA -0.553 55.723 56.287 -0.019 0.000 0.826 275 K CB 3.042 35.528 32.500 -0.024 0.000 1.331 275 K HN 0.386 nan 8.250 nan 0.000 0.437 276 V N -1.348 118.553 119.914 -0.021 0.000 3.440 276 V HA 0.176 4.295 4.120 -0.001 0.000 0.301 276 V C 1.363 177.439 176.094 -0.029 0.000 1.555 276 V CA -0.116 62.169 62.300 -0.025 0.000 1.095 276 V CB 0.529 32.346 31.823 -0.010 0.000 0.936 276 V HN 0.705 nan 8.190 nan 0.000 0.452 277 R N 1.925 122.409 120.500 -0.027 0.000 2.113 277 R HA -0.116 4.223 4.340 -0.001 0.000 0.231 277 R C 2.192 178.472 176.300 -0.034 0.000 1.129 277 R CA 2.806 58.890 56.100 -0.027 0.000 0.915 277 R CB -0.798 29.487 30.300 -0.026 0.000 0.837 277 R HN 0.548 nan 8.270 nan 0.000 0.430 278 Q N 0.173 119.948 119.800 -0.041 0.000 2.181 278 Q HA -0.097 4.243 4.340 -0.001 0.000 0.205 278 Q C 1.066 177.028 176.000 -0.063 0.000 0.980 278 Q CA 0.718 56.492 55.803 -0.048 0.000 0.862 278 Q CB -0.640 28.068 28.738 -0.051 0.000 0.905 278 Q HN 0.303 nan 8.270 nan 0.000 0.429 282 L N 1.423 122.627 121.223 -0.032 0.000 2.592 282 L HA 0.311 4.651 4.340 -0.001 0.000 0.227 282 L C 0.541 177.401 176.870 -0.016 0.000 1.127 282 L CA 0.355 55.176 54.840 -0.032 0.000 0.884 282 L CB 0.503 42.529 42.059 -0.055 0.000 1.065 282 L HN 0.266 nan 8.230 nan 0.000 0.457 283 L N -1.436 119.781 121.223 -0.010 0.000 2.693 283 L HA 0.227 4.566 4.340 -0.001 0.000 0.235 283 L C 0.812 177.683 176.870 0.002 0.000 1.127 283 L CA 0.047 54.888 54.840 0.000 0.000 0.914 283 L CB -0.324 41.738 42.059 0.004 0.000 1.193 283 L HN -0.040 nan 8.230 nan 0.000 0.502 284 R N 0.820 121.319 120.500 -0.002 0.000 2.502 284 R HA 0.328 4.667 4.340 -0.001 0.000 0.292 284 R C 1.337 177.638 176.300 0.001 0.000 0.998 284 R CA 0.827 56.926 56.100 -0.001 0.000 1.056 284 R CB -0.121 30.176 30.300 -0.004 0.000 0.939 284 R HN 0.346 nan 8.270 nan 0.000 0.411 285 G N 1.779 110.581 108.800 0.003 0.000 2.363 285 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.238 285 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.238 285 G C 0.361 175.265 174.900 0.007 0.000 1.062 285 G CA 0.286 45.388 45.100 0.004 0.000 0.629 285 G HN 0.812 nan 8.290 nan 0.000 0.514 286 T N 0.126 114.685 114.554 0.008 0.000 2.720 286 T HA 0.204 4.554 4.350 -0.001 0.000 0.255 286 T C 1.237 175.943 174.700 0.011 0.000 1.021 286 T CA 1.491 63.598 62.100 0.012 0.000 1.145 286 T CB 0.693 69.570 68.868 0.015 0.000 1.036 286 T HN 1.180 nan 8.240 nan 0.000 0.479 287 K N 1.413 121.820 120.400 0.012 0.000 2.354 287 K HA 0.600 4.919 4.320 -0.001 0.000 0.194 287 K C 0.541 177.148 176.600 0.011 0.000 1.045 287 K CA -0.029 56.264 56.287 0.011 0.000 1.026 287 K CB 0.676 33.182 32.500 0.010 0.000 0.866 287 K HN 0.820 nan 8.250 nan 0.000 0.530 288 A N 0.686 123.515 122.820 0.014 0.000 2.604 288 A HA 0.406 4.725 4.320 -0.001 0.000 0.295 288 A C 0.097 177.692 177.584 0.018 0.000 1.067 288 A CA -0.848 51.198 52.037 0.014 0.000 0.683 288 A CB 0.675 19.682 19.000 0.012 0.000 1.281 288 A HN 0.118 nan 8.150 nan 0.000 0.407 289 L N 0.454 121.688 121.223 0.017 0.000 2.265 289 L HA -0.093 4.247 4.340 -0.001 0.000 0.215 289 L C 2.278 179.162 176.870 0.023 0.000 1.117 289 L CA 1.925 56.778 54.840 0.021 0.000 0.782 289 L CB -0.556 41.513 42.059 0.016 0.000 0.914 289 L HN 0.935 nan 8.230 nan 0.000 0.441 290 T N -4.228 110.336 114.554 0.017 0.000 3.107 290 T HA 0.046 4.395 4.350 -0.001 0.000 0.249 290 T C 0.751 175.464 174.700 0.021 0.000 1.096 290 T CA -0.255 61.854 62.100 0.015 0.000 1.012 290 T CB 0.051 68.924 68.868 0.008 0.000 0.977 290 T HN 0.197 nan 8.240 nan 0.000 0.527 291 E N 1.277 121.492 120.200 0.025 0.000 2.404 291 E HA 0.239 4.588 4.350 -0.001 0.000 0.261 291 E C -1.038 175.588 176.600 0.044 0.000 1.074 291 E CA -0.072 56.345 56.400 0.029 0.000 0.917 291 E CB 0.958 30.674 29.700 0.027 0.000 0.965 291 E HN 0.087 nan 8.360 nan 0.000 0.433 292 V N 5.474 125.416 119.914 0.046 0.000 2.349 292 V HA 0.226 4.345 4.120 -0.001 0.000 0.284 292 V C -0.422 175.713 176.094 0.068 0.000 1.014 292 V CA -0.616 61.725 62.300 0.069 0.000 0.826 292 V CB 0.855 32.714 31.823 0.060 0.000 1.009 292 V HN 0.446 nan 8.190 nan 0.000 0.431 293 I N 6.938 127.556 120.570 0.080 0.000 2.325 293 I HA 0.377 4.546 4.170 -0.001 0.000 0.291 293 I C -2.191 173.961 176.117 0.058 0.000 1.019 293 I CA -1.968 59.364 61.300 0.053 0.000 1.302 293 I CB 0.667 38.685 38.000 0.031 0.000 1.401 293 I HN 0.381 nan 8.210 nan 0.000 0.485 294 P HA 0.078 nan 4.420 nan 0.000 0.265 294 P C -0.409 176.892 177.300 0.002 0.000 1.222 294 P CA -0.352 62.771 63.100 0.037 0.000 0.767 294 P CB 0.310 32.025 31.700 0.025 0.000 0.801 295 L N 4.034 125.249 121.223 -0.012 0.000 2.584 295 L HA 0.009 4.348 4.340 -0.001 0.000 0.272 295 L C 1.496 178.325 176.870 -0.069 0.000 1.195 295 L CA 0.899 55.678 54.840 -0.102 0.000 0.920 295 L CB -0.408 41.546 42.059 -0.175 0.000 1.173 295 L HN 0.471 nan 8.230 nan 0.000 0.489 296 T N 0.114 114.623 114.554 -0.076 0.000 2.773 296 T HA 0.068 4.418 4.350 -0.001 0.000 0.337 296 T C 0.945 175.612 174.700 -0.055 0.000 1.086 296 T CA 0.245 62.313 62.100 -0.052 0.000 0.998 296 T CB 0.452 69.291 68.868 -0.050 0.000 1.281 296 T HN 0.715 nan 8.240 nan 0.000 0.525 297 E N -0.208 119.967 120.200 -0.041 0.000 2.045 297 E HA -0.047 4.302 4.350 -0.001 0.000 0.190 297 E C 2.164 178.737 176.600 -0.046 0.000 0.968 297 E CA 0.549 56.926 56.400 -0.037 0.000 0.813 297 E CB -0.077 29.608 29.700 -0.025 0.000 0.780 297 E HN 0.746 nan 8.360 nan 0.000 0.455 298 E N 0.504 120.679 120.200 -0.043 0.000 2.209 298 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 298 E C 1.383 177.946 176.600 -0.062 0.000 0.993 298 E CA 1.082 57.455 56.400 -0.045 0.000 0.819 298 E CB -0.131 29.546 29.700 -0.039 0.000 0.745 298 E HN 0.262 nan 8.360 nan 0.000 0.477 299 A N 0.008 122.781 122.820 -0.079 0.000 2.251 299 A HA 0.049 4.368 4.320 -0.001 0.000 0.209 299 A C 1.791 179.291 177.584 -0.140 0.000 1.187 299 A CA 0.722 52.690 52.037 -0.114 0.000 0.823 299 A CB 0.023 18.944 19.000 -0.131 0.000 0.846 299 A HN 0.080 nan 8.150 nan 0.000 0.486 300 E N -0.977 119.162 120.200 -0.101 0.000 2.290 300 E HA 0.069 4.419 4.350 -0.001 0.000 0.199 300 E C 1.657 178.218 176.600 -0.065 0.000 0.912 300 E CA 0.371 56.716 56.400 -0.092 0.000 0.924 300 E CB -0.202 29.462 29.700 -0.061 0.000 0.901 300 E HN 0.307 nan 8.360 nan 0.000 0.487 301 L N 1.539 122.730 121.223 -0.054 0.000 2.005 301 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 301 L C 2.100 178.942 176.870 -0.046 0.000 1.072 301 L CA 2.282 57.097 54.840 -0.041 0.000 0.744 301 L CB -0.783 41.255 42.059 -0.034 0.000 0.895 301 L HN 0.266 nan 8.230 nan 0.000 0.433 302 E N -0.654 119.512 120.200 -0.056 0.000 2.051 302 E HA -0.269 4.081 4.350 -0.001 0.000 0.192 302 E C 2.191 178.752 176.600 -0.065 0.000 0.991 302 E CA 1.497 57.863 56.400 -0.057 0.000 0.799 302 E CB -0.296 29.366 29.700 -0.063 0.000 0.748 302 E HN 0.434 nan 8.360 nan 0.000 0.449 303 L N 0.571 121.742 121.223 -0.087 0.000 2.261 303 L HA -0.132 4.207 4.340 -0.001 0.000 0.216 303 L C 1.926 178.761 176.870 -0.058 0.000 1.114 303 L CA 1.890 56.674 54.840 -0.094 0.000 0.777 303 L CB -0.503 41.467 42.059 -0.148 0.000 0.910 303 L HN 0.195 nan 8.230 nan 0.000 0.440 304 A N -1.108 121.684 122.820 -0.046 0.000 1.850 304 A HA -0.094 4.226 4.320 -0.001 0.000 0.212 304 A C 2.131 179.698 177.584 -0.030 0.000 1.208 304 A CA 0.957 52.977 52.037 -0.029 0.000 0.609 304 A CB -0.625 18.361 19.000 -0.023 0.000 0.860 304 A HN 0.367 nan 8.150 nan 0.000 0.448 305 E N 0.764 120.946 120.200 -0.031 0.000 2.136 305 E HA -0.228 4.122 4.350 -0.001 0.000 0.202 305 E C 1.836 178.415 176.600 -0.036 0.000 1.019 305 E CA 1.869 58.252 56.400 -0.029 0.000 0.819 305 E CB -0.198 29.485 29.700 -0.028 0.000 0.739 305 E HN 0.575 nan 8.360 nan 0.000 0.458 306 N N -0.009 118.664 118.700 -0.045 0.000 2.120 306 N HA -0.128 4.611 4.740 -0.001 0.000 0.188 306 N C 1.648 177.114 175.510 -0.074 0.000 1.024 306 N CA 0.884 53.898 53.050 -0.061 0.000 0.852 306 N CB -0.192 38.258 38.487 -0.061 0.000 1.003 306 N HN 0.142 nan 8.380 nan 0.000 0.424 307 R N 0.916 121.384 120.500 -0.052 0.000 2.091 307 R HA -0.091 4.248 4.340 -0.001 0.000 0.238 307 R C 1.771 178.042 176.300 -0.049 0.000 1.136 307 R CA 0.973 57.046 56.100 -0.046 0.000 0.959 307 R CB -0.097 30.191 30.300 -0.020 0.000 0.856 307 R HN 0.318 nan 8.270 nan 0.000 0.437 308 E N 0.824 121.003 120.200 -0.035 0.000 2.001 308 E HA -0.172 4.178 4.350 -0.001 0.000 0.195 308 E C 2.123 178.704 176.600 -0.031 0.000 1.002 308 E CA 1.126 57.512 56.400 -0.023 0.000 0.819 308 E CB -0.434 29.258 29.700 -0.013 0.000 0.769 308 E HN 0.299 nan 8.360 nan 0.000 0.454 309 I N 0.883 121.432 120.570 -0.035 0.000 2.227 309 I HA -0.312 3.858 4.170 -0.001 0.000 0.250 309 I C 2.097 178.158 176.117 -0.093 0.000 1.087 309 I CA 0.921 62.207 61.300 -0.024 0.000 1.352 309 I CB -0.343 37.642 38.000 -0.024 0.000 1.043 309 I HN 0.065 nan 8.210 nan 0.000 0.425 310 L N 0.175 121.273 121.223 -0.208 0.000 2.610 310 L HA -0.061 4.279 4.340 -0.001 0.000 0.232 310 L C 2.114 178.898 176.870 -0.143 0.000 1.149 310 L CA 1.365 55.984 54.840 -0.369 0.000 0.872 310 L CB -0.657 41.217 42.059 -0.308 0.000 0.992 310 L HN 0.095 nan 8.230 nan 0.000 0.447 311 K N -0.453 119.923 120.400 -0.039 0.000 2.314 311 K HA 0.023 4.343 4.320 -0.001 0.000 0.198 311 K C 0.530 177.168 176.600 0.063 0.000 1.045 311 K CA 0.037 56.332 56.287 0.014 0.000 0.988 311 K CB 0.316 32.822 32.500 0.010 0.000 0.783 311 K HN 0.267 nan 8.250 nan 0.000 0.484 312 E N 2.343 122.605 120.200 0.104 0.000 2.376 312 E HA 0.036 4.385 4.350 -0.001 0.000 0.266 312 E C -2.353 174.327 176.600 0.133 0.000 1.009 312 E CA -1.830 54.637 56.400 0.113 0.000 0.902 312 E CB 0.783 30.556 29.700 0.123 0.000 0.972 312 E HN 0.064 nan 8.360 nan 0.000 0.439 313 P HA 0.069 nan 4.420 nan 0.000 0.276 313 P C -1.001 176.089 177.300 -0.350 0.000 1.244 313 P CA -0.353 62.675 63.100 -0.120 0.000 0.801 313 P CB 1.021 32.655 31.700 -0.110 0.000 1.006 314 V N -0.449 119.176 119.914 -0.482 0.000 2.525 314 V HA 0.526 4.645 4.120 -0.001 0.000 0.299 314 V C -0.579 175.167 176.094 -0.579 0.000 1.034 314 V CA -0.622 61.378 62.300 -0.500 0.000 0.863 314 V CB 1.304 32.886 31.823 -0.401 0.000 0.999 314 V HN 0.550 nan 8.190 nan 0.000 0.423 315 H N 3.132 122.052 119.070 -0.250 0.000 2.495 315 H HA 0.864 5.420 4.556 -0.001 0.000 0.348 315 H C 0.263 175.073 175.328 -0.863 0.000 1.113 315 H CA -0.003 55.761 56.048 -0.472 0.000 1.195 315 H CB 2.480 32.035 29.762 -0.345 0.000 1.521 315 H HN 1.054 nan 8.280 nan 0.000 0.509 316 G N 0.618 108.426 108.800 -1.653 0.000 2.818 316 G HA2 0.564 4.523 3.960 -0.001 0.000 0.286 316 G HA3 0.564 4.523 3.960 -0.001 0.000 0.286 316 G C -0.992 173.035 174.900 -1.454 0.000 1.364 316 G CA -0.534 43.412 45.100 -1.924 0.000 0.938 316 G HN 0.422 nan 8.290 nan 0.000 0.490 317 V N -0.860 118.621 119.914 -0.721 0.000 3.113 317 V HA 0.557 4.676 4.120 -0.001 0.000 0.316 317 V C -0.830 175.192 176.094 -0.120 0.000 1.125 317 V CA -0.857 61.190 62.300 -0.423 0.000 1.026 317 V CB 1.682 33.419 31.823 -0.143 0.000 1.080 317 V HN 0.646 nan 8.190 nan 0.000 0.444 318 Y N -0.411 120.025 120.300 0.228 0.000 2.436 318 Y HA 0.405 4.955 4.550 0.000 0.000 0.336 318 Y C 0.026 176.128 175.900 0.337 0.000 1.318 318 Y CA -0.797 57.499 58.100 0.327 0.000 1.493 318 Y CB 0.393 39.002 38.460 0.249 0.000 1.547 318 Y HN 0.591 nan 8.280 nan 0.000 0.549 319 Y N 1.038 121.585 120.300 0.413 0.000 2.319 319 Y HA 0.187 4.736 4.550 -0.001 0.000 0.328 319 Y C -0.429 175.564 175.900 0.154 0.000 1.133 319 Y CA -0.679 57.579 58.100 0.263 0.000 1.265 319 Y CB 0.703 39.375 38.460 0.354 0.000 1.218 319 Y HN 0.516 nan 8.280 nan 0.000 0.508 320 D N 8.324 128.616 120.400 -0.181 0.000 2.462 320 D HA 0.289 4.929 4.640 -0.001 0.000 0.249 320 D C -2.078 173.824 176.300 -0.663 0.000 1.117 320 D CA -2.648 51.150 54.000 -0.337 0.000 0.900 320 D CB 1.568 42.308 40.800 -0.100 0.000 1.039 320 D HN 0.318 nan 8.370 nan 0.000 0.516 321 P HA -0.181 nan 4.420 nan 0.000 0.219 321 P C 0.840 177.979 177.300 -0.267 0.000 1.145 321 P CA 1.172 63.886 63.100 -0.643 0.000 0.813 321 P CB 0.153 31.631 31.700 -0.369 0.000 0.771 322 S N -2.973 112.608 115.700 -0.199 0.000 2.660 322 S HA 0.171 4.641 4.470 -0.001 0.000 0.227 322 S C 0.486 175.039 174.600 -0.078 0.000 0.948 322 S CA -0.177 57.961 58.200 -0.105 0.000 0.948 322 S CB -0.479 62.673 63.200 -0.079 0.000 0.779 322 S HN 0.084 nan 8.310 nan 0.000 0.487 323 K N 0.924 121.273 120.400 -0.085 0.000 2.385 323 K HA 0.396 4.715 4.320 -0.001 0.000 0.248 323 K C -1.300 175.275 176.600 -0.041 0.000 0.955 323 K CA -0.897 55.361 56.287 -0.048 0.000 0.816 323 K CB 1.109 33.589 32.500 -0.034 0.000 1.250 323 K HN 0.023 nan 8.250 nan 0.000 0.434 324 D N 1.460 121.823 120.400 -0.062 0.000 2.400 324 D HA 0.124 4.764 4.640 -0.001 0.000 0.238 324 D C -0.332 175.862 176.300 -0.177 0.000 1.157 324 D CA 0.294 54.232 54.000 -0.104 0.000 0.889 324 D CB 0.776 41.513 40.800 -0.106 0.000 1.199 324 D HN 0.212 nan 8.370 nan 0.000 0.436 325 L N 2.335 123.397 121.223 -0.268 0.000 2.322 325 L HA 0.520 4.860 4.340 -0.001 0.000 0.279 325 L C -0.254 176.331 176.870 -0.475 0.000 1.036 325 L CA -0.580 53.997 54.840 -0.439 0.000 0.807 325 L CB 1.155 42.868 42.059 -0.577 0.000 1.226 325 L HN 0.225 nan 8.230 nan 0.000 0.433 326 I N 2.726 122.921 120.570 -0.625 0.000 2.586 326 I HA 0.455 4.625 4.170 -0.001 0.000 0.288 326 I C -0.647 175.026 176.117 -0.740 0.000 1.147 326 I CA -0.338 60.537 61.300 -0.708 0.000 1.047 326 I CB 2.084 39.606 38.000 -0.796 0.000 1.244 326 I HN 0.581 nan 8.210 nan 0.000 0.429 327 A N 5.192 127.664 122.820 -0.579 0.000 2.337 327 A HA 0.795 5.114 4.320 -0.001 0.000 0.329 327 A C -0.840 176.667 177.584 -0.128 0.000 1.146 327 A CA -0.450 51.383 52.037 -0.340 0.000 0.800 327 A CB 1.636 20.374 19.000 -0.436 0.000 1.220 327 A HN 0.743 nan 8.150 nan 0.000 0.472 328 E N 1.753 121.998 120.200 0.075 0.000 2.248 328 E HA 0.652 5.001 4.350 -0.001 0.000 0.267 328 E C -1.374 175.339 176.600 0.188 0.000 0.877 328 E CA -0.449 56.038 56.400 0.145 0.000 0.759 328 E CB 1.420 31.219 29.700 0.164 0.000 1.182 328 E HN 0.644 nan 8.360 nan 0.000 0.418 329 I N 2.340 123.024 120.570 0.191 0.000 2.693 329 I HA 0.379 4.549 4.170 -0.001 0.000 0.303 329 I C -0.725 175.525 176.117 0.222 0.000 1.025 329 I CA -1.022 60.413 61.300 0.224 0.000 1.086 329 I CB 2.030 40.151 38.000 0.201 0.000 1.268 329 I HN 0.421 nan 8.210 nan 0.000 0.440 330 Q N 2.860 122.816 119.800 0.260 0.000 2.372 330 Q HA 0.379 4.719 4.340 -0.001 0.000 0.273 330 Q C -0.928 175.188 176.000 0.192 0.000 1.078 330 Q CA -0.825 55.094 55.803 0.194 0.000 0.806 330 Q CB 2.610 31.402 28.738 0.090 0.000 1.332 330 Q HN 0.335 nan 8.270 nan 0.000 0.435 331 K N 1.735 122.164 120.400 0.048 0.000 2.273 331 K HA 0.101 4.421 4.320 -0.001 0.000 0.287 331 K C -0.506 175.965 176.600 -0.215 0.000 1.089 331 K CA 0.018 56.144 56.287 -0.268 0.000 0.909 331 K CB 0.570 32.932 32.500 -0.231 0.000 1.123 331 K HN 0.589 nan 8.250 nan 0.000 0.473 332 Q N 3.990 123.631 119.800 -0.265 0.000 2.936 332 Q HA 0.196 4.535 4.340 -0.001 0.000 0.383 332 Q C -0.467 175.418 176.000 -0.193 0.000 1.167 332 Q CA -0.037 55.668 55.803 -0.162 0.000 1.038 332 Q CB 0.225 28.905 28.738 -0.097 0.000 1.409 332 Q HN 0.976 nan 8.270 nan 0.000 0.448 333 G N 1.294 109.969 108.800 -0.208 0.000 2.707 333 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.686 333 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.686 333 G C -0.945 173.807 174.900 -0.246 0.000 1.315 333 G CA -0.774 44.224 45.100 -0.171 0.000 0.832 333 G HN 0.503 nan 8.290 nan 0.000 0.573 334 Q N 0.461 120.157 119.800 -0.173 0.000 2.263 334 Q HA 0.366 4.706 4.340 -0.001 0.000 0.289 334 Q C 1.726 177.620 176.000 -0.176 0.000 1.061 334 Q CA 1.860 57.554 55.803 -0.181 0.000 0.927 334 Q CB -0.060 28.597 28.738 -0.134 0.000 1.154 334 Q HN 2.489 nan 8.270 nan 0.000 0.378 335 G N 3.122 111.810 108.800 -0.187 0.000 2.284 335 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.261 335 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.261 335 G C -0.025 174.805 174.900 -0.117 0.000 0.997 335 G CA 0.499 45.566 45.100 -0.054 0.000 0.621 335 G HN 0.614 nan 8.290 nan 0.000 0.534 336 Q N -0.802 118.800 119.800 -0.329 0.000 2.241 336 Q HA 0.602 4.942 4.340 -0.001 0.000 0.254 336 Q C -0.829 174.824 176.000 -0.578 0.000 0.917 336 Q CA -0.571 55.078 55.803 -0.256 0.000 0.919 336 Q CB 1.008 29.665 28.738 -0.136 0.000 1.237 336 Q HN 0.444 nan 8.270 nan 0.000 0.434 337 W N 0.386 121.742 121.300 0.094 0.000 3.032 337 W HA 0.488 5.150 4.660 0.002 0.000 0.335 337 W C -0.637 175.924 176.519 0.071 0.000 1.154 337 W CA -0.695 56.707 57.345 0.095 0.000 1.204 337 W CB 1.609 31.157 29.460 0.147 0.000 1.416 337 W HN 0.503 nan 8.180 nan 0.000 0.521 338 T N -0.451 114.263 114.554 0.266 0.000 2.893 338 T HA 0.819 5.169 4.350 -0.001 0.000 0.291 338 T C -1.279 173.533 174.700 0.187 0.000 1.028 338 T CA -0.761 61.407 62.100 0.114 0.000 0.995 338 T CB 1.860 70.736 68.868 0.013 0.000 1.051 338 T HN 0.566 nan 8.240 nan 0.000 0.470 339 Y N -0.207 120.069 120.300 -0.041 0.000 2.597 339 Y HA 0.769 5.318 4.550 -0.003 0.000 0.340 339 Y C -1.301 174.585 175.900 -0.023 0.000 1.097 339 Y CA -1.270 56.818 58.100 -0.020 0.000 1.037 339 Y CB 1.732 40.164 38.460 -0.048 0.000 1.305 339 Y HN 0.839 nan 8.280 nan 0.000 0.463 340 Q N 3.231 123.129 119.800 0.164 0.000 2.377 340 Q HA 0.639 4.979 4.340 -0.001 0.000 0.279 340 Q C -1.768 174.371 176.000 0.233 0.000 1.049 340 Q CA -0.832 55.037 55.803 0.110 0.000 0.825 340 Q CB 3.184 31.960 28.738 0.064 0.000 1.401 340 Q HN 0.926 nan 8.270 nan 0.000 0.404 341 I N 2.376 123.074 120.570 0.214 0.000 2.498 341 I HA 0.608 4.778 4.170 -0.001 0.000 0.290 341 I C -1.035 175.161 176.117 0.132 0.000 1.032 341 I CA -1.048 60.298 61.300 0.076 0.000 1.073 341 I CB 1.475 39.520 38.000 0.074 0.000 1.251 341 I HN 0.752 nan 8.210 nan 0.000 0.426 342 Y N 2.718 122.983 120.300 -0.058 0.000 2.728 342 Y HA 0.532 5.081 4.550 -0.002 0.000 0.330 342 Y C -0.249 175.608 175.900 -0.073 0.000 1.234 342 Y CA -0.852 57.227 58.100 -0.036 0.000 1.070 342 Y CB 1.209 39.659 38.460 -0.016 0.000 1.300 342 Y HN 0.429 nan 8.280 nan 0.000 0.467 343 Q N -0.748 119.157 119.800 0.175 0.000 2.215 343 Q HA 0.262 4.602 4.340 -0.001 0.000 0.257 343 Q C -0.837 175.269 176.000 0.176 0.000 0.792 343 Q CA 0.063 55.907 55.803 0.070 0.000 0.958 343 Q CB 1.518 30.279 28.738 0.038 0.000 1.158 343 Q HN 0.550 nan 8.270 nan 0.000 0.490 344 E N 2.064 122.413 120.200 0.247 0.000 2.244 344 E HA 0.278 4.627 4.350 -0.001 0.000 0.260 344 E C -2.657 174.044 176.600 0.169 0.000 0.884 344 E CA -2.139 54.363 56.400 0.170 0.000 0.777 344 E CB 1.993 31.743 29.700 0.084 0.000 1.197 344 E HN -0.024 nan 8.360 nan 0.000 0.416 345 P HA -0.141 nan 4.420 nan 0.000 0.262 345 P C 0.029 177.526 177.300 0.328 0.000 1.151 345 P CA 0.635 63.782 63.100 0.078 0.000 0.757 345 P CB 0.134 31.989 31.700 0.258 0.000 0.754 346 F N -0.276 119.446 119.950 -0.379 0.000 2.552 346 F HA -0.243 4.285 4.527 0.003 0.000 0.588 346 F C 1.012 176.707 175.800 -0.175 0.000 0.507 346 F CA 1.372 59.222 58.000 -0.250 0.000 1.012 346 F CB -1.712 37.189 39.000 -0.165 0.000 1.788 346 F HN 0.326 nan 8.300 nan 0.000 0.260 347 K N 2.457 122.895 120.400 0.063 0.000 2.150 347 K HA 0.183 4.503 4.320 -0.001 0.000 0.261 347 K C 0.037 176.683 176.600 0.076 0.000 1.127 347 K CA -0.355 55.953 56.287 0.035 0.000 0.989 347 K CB -0.021 32.496 32.500 0.028 0.000 1.475 347 K HN 0.114 nan 8.250 nan 0.000 0.391 348 N N 1.966 120.704 118.700 0.062 0.000 2.416 348 N HA -0.001 4.739 4.740 -0.001 0.000 0.246 348 N C 0.986 176.636 175.510 0.232 0.000 1.260 348 N CA 0.173 53.317 53.050 0.157 0.000 0.897 348 N CB 0.905 39.470 38.487 0.130 0.000 1.110 348 N HN 0.377 nan 8.380 nan 0.000 0.439 349 L N 0.210 121.621 121.223 0.313 0.000 2.445 349 L HA 0.249 4.589 4.340 -0.001 0.000 0.207 349 L C 0.743 177.916 176.870 0.505 0.000 1.053 349 L CA 0.488 55.583 54.840 0.425 0.000 0.841 349 L CB 0.259 42.527 42.059 0.348 0.000 1.074 349 L HN 0.525 nan 8.230 nan 0.000 0.479 350 K N -0.604 120.013 120.400 0.363 0.000 2.587 350 K HA 0.365 4.684 4.320 -0.001 0.000 0.276 350 K C -1.492 175.180 176.600 0.120 0.000 0.956 350 K CA -0.370 56.072 56.287 0.259 0.000 0.857 350 K CB 2.060 34.677 32.500 0.196 0.000 1.431 350 K HN -0.036 nan 8.250 nan 0.000 0.420 351 T N -0.878 113.643 114.554 -0.054 0.000 2.868 351 T HA 0.853 5.203 4.350 -0.001 0.000 0.306 351 T C -0.348 173.983 174.700 -0.614 0.000 1.224 351 T CA -0.277 61.616 62.100 -0.345 0.000 1.012 351 T CB 1.903 70.632 68.868 -0.232 0.000 1.221 351 T HN 0.798 nan 8.240 nan 0.000 0.499 352 G N 0.317 108.367 108.800 -1.249 0.000 2.663 352 G HA2 0.677 4.636 3.960 -0.001 0.000 0.299 352 G HA3 0.677 4.636 3.960 -0.001 0.000 0.299 352 G C -2.023 172.404 174.900 -0.788 0.000 1.372 352 G CA -1.001 43.512 45.100 -0.978 0.000 0.781 352 G HN 0.860 nan 8.290 nan 0.000 0.491 353 K N -1.004 119.174 120.400 -0.371 0.000 2.508 353 K HA 0.653 4.973 4.320 -0.001 0.000 0.260 353 K C -2.025 174.594 176.600 0.032 0.000 0.949 353 K CA -0.818 55.382 56.287 -0.144 0.000 0.834 353 K CB 2.061 34.521 32.500 -0.066 0.000 1.365 353 K HN 0.379 nan 8.250 nan 0.000 0.437 354 Y N 0.985 121.420 120.300 0.226 0.000 2.326 354 Y HA 0.455 5.005 4.550 -0.001 0.000 0.329 354 Y C 0.005 176.019 175.900 0.190 0.000 0.973 354 Y CA -1.268 56.959 58.100 0.212 0.000 1.162 354 Y CB 1.827 40.433 38.460 0.244 0.000 1.147 354 Y HN 0.709 nan 8.280 nan 0.000 0.456 355 A N 3.927 126.925 122.820 0.296 0.000 2.477 355 A HA 0.219 4.538 4.320 -0.001 0.000 0.246 355 A C 0.821 178.502 177.584 0.161 0.000 1.078 355 A CA -0.639 51.502 52.037 0.174 0.000 0.770 355 A CB 0.028 19.100 19.000 0.120 0.000 1.011 355 A HN 0.847 nan 8.150 nan 0.000 0.494 356 R N 3.718 124.282 120.500 0.107 0.000 3.908 356 R HA -0.059 4.281 4.340 -0.001 0.000 0.299 356 R C -0.220 176.125 176.300 0.077 0.000 0.624 356 R CA 0.404 56.552 56.100 0.081 0.000 0.997 356 R CB -0.595 29.714 30.300 0.014 0.000 0.917 356 R HN 0.750 nan 8.270 nan 0.000 0.339 357 M N 5.156 124.820 119.600 0.106 0.000 2.248 357 M HA -0.005 4.475 4.480 -0.001 0.000 0.345 357 M C 0.424 176.748 176.300 0.040 0.000 1.243 357 M CA 0.923 56.258 55.300 0.059 0.000 1.090 357 M CB 0.496 33.127 32.600 0.051 0.000 1.683 357 M HN 0.519 nan 8.290 nan 0.000 0.450 358 R N 2.842 123.351 120.500 0.015 0.000 2.451 358 R HA 0.737 5.077 4.340 -0.001 0.000 0.307 358 R C -0.485 175.803 176.300 -0.020 0.000 0.965 358 R CA -0.820 55.278 56.100 -0.004 0.000 0.865 358 R CB 1.167 31.461 30.300 -0.009 0.000 1.174 358 R HN 0.739 nan 8.270 nan 0.000 0.455 359 G N 0.702 109.481 108.800 -0.035 0.000 3.217 359 G HA2 0.486 4.446 3.960 -0.001 0.000 0.213 359 G HA3 0.486 4.446 3.960 -0.001 0.000 0.213 359 G C 0.251 175.068 174.900 -0.140 0.000 1.294 359 G CA -0.336 44.721 45.100 -0.070 0.000 0.987 359 G HN 0.545 nan 8.290 nan 0.000 0.584 360 A N -1.325 121.328 122.820 -0.278 0.000 2.016 360 A HA 0.422 4.742 4.320 -0.001 0.000 0.217 360 A C 0.588 177.754 177.584 -0.697 0.000 1.162 360 A CA 1.937 53.663 52.037 -0.519 0.000 0.662 360 A CB -0.507 18.063 19.000 -0.717 0.000 0.812 360 A HN 1.315 nan 8.150 nan 0.000 0.450 361 H N -4.286 114.798 119.070 0.023 0.000 3.027 361 H HA 0.511 5.067 4.556 -0.002 0.000 0.290 361 H C -0.598 174.740 175.328 0.017 0.000 1.190 361 H CA -0.537 55.518 56.048 0.011 0.000 1.637 361 H CB -0.440 29.330 29.762 0.013 0.000 2.214 361 H HN 0.020 nan 8.280 nan 0.000 0.451 362 T N 1.513 116.140 114.554 0.121 0.000 2.584 362 T HA 0.675 5.025 4.350 -0.001 0.000 0.273 362 T C -0.866 173.830 174.700 -0.006 0.000 0.978 362 T CA -0.679 61.460 62.100 0.064 0.000 1.159 362 T CB 1.448 70.337 68.868 0.036 0.000 1.556 362 T HN 0.993 nan 8.240 nan 0.000 0.472 363 N N -0.976 117.694 118.700 -0.050 0.000 3.348 363 N HA 0.335 5.074 4.740 -0.001 0.000 0.233 363 N C -0.863 174.613 175.510 -0.057 0.000 1.440 363 N CA -0.688 52.309 53.050 -0.087 0.000 0.887 363 N CB 0.511 38.911 38.487 -0.145 0.000 1.410 363 N HN 0.250 nan 8.380 nan 0.000 0.502 364 D N -0.050 120.360 120.400 0.016 0.000 2.178 364 D HA -0.094 4.546 4.640 -0.001 0.000 0.201 364 D C 1.775 178.080 176.300 0.008 0.000 0.980 364 D CA 1.135 55.230 54.000 0.159 0.000 0.842 364 D CB -0.122 40.827 40.800 0.248 0.000 0.948 364 D HN 0.386 nan 8.370 nan 0.000 0.472 365 V N 0.736 120.493 119.914 -0.263 0.000 2.358 365 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 365 V C 2.349 178.045 176.094 -0.663 0.000 1.047 365 V CA 1.396 63.365 62.300 -0.552 0.000 1.035 365 V CB -0.499 30.705 31.823 -1.032 0.000 0.658 365 V HN 0.056 nan 8.190 nan 0.000 0.452 366 K N 0.417 120.441 120.400 -0.628 0.000 2.026 366 K HA -0.159 4.160 4.320 -0.001 0.000 0.208 366 K C 2.265 178.737 176.600 -0.214 0.000 1.048 366 K CA 1.542 57.609 56.287 -0.367 0.000 0.929 366 K CB -0.515 31.878 32.500 -0.177 0.000 0.713 366 K HN 0.421 nan 8.250 nan 0.000 0.439 367 Q N 0.227 119.944 119.800 -0.138 0.000 2.045 367 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 367 Q C 2.141 177.855 176.000 -0.477 0.000 0.991 367 Q CA 1.724 57.463 55.803 -0.106 0.000 0.851 367 Q CB -0.646 28.255 28.738 0.271 0.000 0.911 367 Q HN 0.346 nan 8.270 nan 0.000 0.418 368 L N 0.815 121.657 121.223 -0.635 0.000 2.079 368 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 368 L C 2.242 178.718 176.870 -0.657 0.000 1.081 368 L CA 2.011 56.259 54.840 -0.986 0.000 0.752 368 L CB -0.955 40.725 42.059 -0.631 0.000 0.896 368 L HN 0.126 nan 8.230 nan 0.000 0.433 369 T N -0.688 113.607 114.554 -0.432 0.000 2.788 369 T HA -0.190 4.160 4.350 -0.001 0.000 0.268 369 T C 1.732 176.254 174.700 -0.298 0.000 1.044 369 T CA 1.807 63.722 62.100 -0.308 0.000 1.139 369 T CB -0.113 68.713 68.868 -0.071 0.000 0.867 369 T HN 0.505 nan 8.240 nan 0.000 0.454 370 E N 0.403 120.432 120.200 -0.285 0.000 2.072 370 E HA 0.028 4.377 4.350 -0.001 0.000 0.190 370 E C 2.505 178.912 176.600 -0.322 0.000 0.982 370 E CA 0.788 57.039 56.400 -0.249 0.000 0.803 370 E CB -0.171 29.409 29.700 -0.199 0.000 0.755 370 E HN 0.445 nan 8.360 nan 0.000 0.453 371 A N 0.844 123.406 122.820 -0.430 0.000 1.892 371 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 371 A C 2.475 179.902 177.584 -0.262 0.000 1.188 371 A CA 1.450 53.286 52.037 -0.336 0.000 0.631 371 A CB -0.858 17.849 19.000 -0.488 0.000 0.822 371 A HN 0.135 nan 8.150 nan 0.000 0.447 372 V N 0.743 120.408 119.914 -0.416 0.000 2.255 372 V HA -0.363 3.757 4.120 -0.001 0.000 0.247 372 V C 2.889 178.779 176.094 -0.341 0.000 1.051 372 V CA 2.648 64.634 62.300 -0.524 0.000 1.018 372 V CB -1.016 30.314 31.823 -0.822 0.000 0.641 372 V HN 0.907 nan 8.190 nan 0.000 0.445 373 Q N 1.261 120.892 119.800 -0.282 0.000 2.045 373 Q HA -0.276 4.064 4.340 -0.001 0.000 0.206 373 Q C 1.989 177.921 176.000 -0.113 0.000 0.991 373 Q CA 2.392 58.099 55.803 -0.162 0.000 0.851 373 Q CB -0.645 28.020 28.738 -0.121 0.000 0.911 373 Q HN 0.575 nan 8.270 nan 0.000 0.418 374 K N 0.180 120.489 120.400 -0.152 0.000 2.074 374 K HA -0.115 4.205 4.320 -0.001 0.000 0.209 374 K C 2.210 178.792 176.600 -0.031 0.000 1.048 374 K CA 1.821 58.030 56.287 -0.130 0.000 0.926 374 K CB -0.354 31.957 32.500 -0.315 0.000 0.713 374 K HN 0.328 nan 8.250 nan 0.000 0.444 375 I N 0.954 121.515 120.570 -0.014 0.000 2.286 375 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 375 I C 2.067 178.224 176.117 0.066 0.000 1.115 375 I CA 1.225 62.512 61.300 -0.021 0.000 1.392 375 I CB -0.545 37.426 38.000 -0.048 0.000 1.065 375 I HN 0.208 nan 8.210 nan 0.000 0.418 376 T N 0.100 114.713 114.554 0.098 0.000 2.821 376 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 376 T C 1.900 176.641 174.700 0.069 0.000 1.046 376 T CA 1.870 64.045 62.100 0.125 0.000 1.139 376 T CB -0.280 68.648 68.868 0.099 0.000 0.871 376 T HN 0.382 nan 8.240 nan 0.000 0.454 377 T N 1.642 116.212 114.554 0.027 0.000 2.701 377 T HA -0.098 4.252 4.350 -0.001 0.000 0.263 377 T C 1.870 176.570 174.700 -0.001 0.000 1.040 377 T CA 1.348 63.456 62.100 0.013 0.000 1.147 377 T CB -0.302 68.561 68.868 -0.008 0.000 0.865 377 T HN 0.517 nan 8.240 nan 0.000 0.426 378 E N 0.964 121.158 120.200 -0.011 0.000 2.065 378 E HA -0.203 4.147 4.350 -0.001 0.000 0.201 378 E C 2.343 178.889 176.600 -0.090 0.000 1.016 378 E CA 1.722 58.091 56.400 -0.052 0.000 0.818 378 E CB -0.143 29.534 29.700 -0.037 0.000 0.749 378 E HN 0.392 nan 8.360 nan 0.000 0.453 379 S N 0.662 116.372 115.700 0.018 0.000 2.359 379 S HA -0.171 4.298 4.470 -0.001 0.000 0.224 379 S C 1.919 176.586 174.600 0.111 0.000 1.035 379 S CA 1.250 59.545 58.200 0.159 0.000 1.018 379 S CB -0.255 63.113 63.200 0.281 0.000 0.876 379 S HN 0.329 nan 8.310 nan 0.000 0.448 380 I N 1.408 122.022 120.570 0.072 0.000 2.530 380 I HA -0.079 4.090 4.170 -0.001 0.000 0.257 380 I C 1.957 178.073 176.117 -0.002 0.000 1.179 380 I CA 1.014 62.350 61.300 0.059 0.000 1.440 380 I CB -1.339 36.692 38.000 0.052 0.000 1.087 380 I HN 0.189 nan 8.210 nan 0.000 0.440 381 V N 0.356 120.227 119.914 -0.073 0.000 2.992 381 V HA -0.027 4.092 4.120 -0.001 0.000 0.250 381 V C 2.311 178.269 176.094 -0.226 0.000 1.090 381 V CA 0.680 62.912 62.300 -0.114 0.000 1.101 381 V CB 0.226 31.987 31.823 -0.103 0.000 0.743 381 V HN 0.180 nan 8.190 nan 0.000 0.468 382 I N -1.253 119.060 120.570 -0.428 0.000 2.339 382 I HA -0.054 4.115 4.170 -0.001 0.000 0.245 382 I C 2.006 177.683 176.117 -0.733 0.000 1.096 382 I CA 1.667 62.481 61.300 -0.810 0.000 1.408 382 I CB -0.594 36.407 38.000 -1.666 0.000 1.092 382 I HN 0.425 nan 8.210 nan 0.000 0.423 383 W N 0.381 121.588 121.300 -0.155 0.000 2.868 383 W HA 0.369 5.028 4.660 -0.002 0.000 0.320 383 W C 1.333 177.820 176.519 -0.052 0.000 1.076 383 W CA 0.646 57.888 57.345 -0.170 0.000 1.576 383 W CB -0.180 29.055 29.460 -0.375 0.000 1.030 383 W HN 0.365 nan 8.180 nan 0.000 0.558 384 G N 2.092 110.989 108.800 0.160 0.000 2.160 384 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.251 384 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.251 384 G C 0.067 175.051 174.900 0.140 0.000 1.008 384 G CA 0.741 45.916 45.100 0.125 0.000 0.724 384 G HN 0.255 nan 8.290 nan 0.000 0.514 385 K N -1.439 119.062 120.400 0.169 0.000 2.499 385 K HA 0.748 5.067 4.320 -0.001 0.000 0.277 385 K C -0.757 175.907 176.600 0.107 0.000 1.025 385 K CA -0.236 56.120 56.287 0.116 0.000 0.900 385 K CB 1.989 34.535 32.500 0.077 0.000 1.494 385 K HN 0.292 nan 8.250 nan 0.000 0.442 386 T N 1.220 115.804 114.554 0.050 0.000 2.879 386 T HA 0.488 4.837 4.350 -0.001 0.000 0.290 386 T C -2.623 172.024 174.700 -0.090 0.000 0.993 386 T CA -1.774 60.346 62.100 0.033 0.000 0.975 386 T CB 1.282 70.212 68.868 0.103 0.000 0.981 386 T HN 0.298 nan 8.240 nan 0.000 0.439 387 P HA 0.322 nan 4.420 nan 0.000 0.274 387 P C -0.928 176.097 177.300 -0.458 0.000 1.260 387 P CA -0.573 62.267 63.100 -0.433 0.000 0.793 387 P CB 0.751 32.077 31.700 -0.623 0.000 1.048 388 K N 0.569 120.723 120.400 -0.410 0.000 2.227 388 K HA 0.382 4.702 4.320 -0.001 0.000 0.280 388 K C -0.332 176.060 176.600 -0.348 0.000 1.041 388 K CA -0.290 55.849 56.287 -0.247 0.000 0.905 388 K CB 0.355 32.760 32.500 -0.159 0.000 1.068 388 K HN 0.296 nan 8.250 nan 0.000 0.470 389 F N 2.013 121.940 119.950 -0.039 0.000 2.379 389 F HA 0.285 4.810 4.527 -0.004 0.000 0.332 389 F C 0.707 176.552 175.800 0.075 0.000 1.096 389 F CA -0.373 57.621 58.000 -0.010 0.000 1.105 389 F CB 1.069 40.045 39.000 -0.040 0.000 1.189 389 F HN 0.124 nan 8.300 nan 0.000 0.515 390 K N 4.753 125.299 120.400 0.243 0.000 2.450 390 K HA 0.617 4.936 4.320 -0.001 0.000 0.257 390 K C -1.388 175.353 176.600 0.234 0.000 0.953 390 K CA -0.520 55.893 56.287 0.209 0.000 0.844 390 K CB 1.992 34.554 32.500 0.104 0.000 1.103 390 K HN 0.521 nan 8.250 nan 0.000 0.429 391 L N 3.622 125.029 121.223 0.307 0.000 2.370 391 L HA 0.462 4.801 4.340 -0.001 0.000 0.266 391 L C -2.010 175.040 176.870 0.299 0.000 1.002 391 L CA -2.111 52.861 54.840 0.221 0.000 0.818 391 L CB 2.314 44.379 42.059 0.010 0.000 1.325 391 L HN 0.395 nan 8.230 nan 0.000 0.418 392 P HA 0.131 nan 4.420 nan 0.000 0.246 392 P C -0.467 177.036 177.300 0.340 0.000 1.686 392 P CA 0.578 63.853 63.100 0.292 0.000 0.867 392 P CB 0.271 32.090 31.700 0.200 0.000 1.733 393 I N -0.600 120.201 120.570 0.385 0.000 2.647 393 I HA 0.275 4.444 4.170 -0.001 0.000 0.295 393 I C -0.378 175.831 176.117 0.153 0.000 1.078 393 I CA -1.072 60.342 61.300 0.190 0.000 1.048 393 I CB 2.745 40.743 38.000 -0.003 0.000 1.239 393 I HN -0.233 nan 8.210 nan 0.000 0.421 394 Q N 4.126 123.860 119.800 -0.110 0.000 2.373 394 Q HA 0.074 4.413 4.340 -0.001 0.000 0.255 394 Q C 0.302 176.385 176.000 0.138 0.000 0.980 394 Q CA 0.063 55.690 55.803 -0.293 0.000 0.882 394 Q CB 1.452 30.028 28.738 -0.269 0.000 1.249 394 Q HN 0.512 nan 8.270 nan 0.000 0.438 395 K N 1.747 122.209 120.400 0.104 0.000 2.148 395 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 395 K C 1.348 178.102 176.600 0.256 0.000 1.050 395 K CA 1.276 57.733 56.287 0.284 0.000 0.942 395 K CB 0.304 32.816 32.500 0.020 0.000 0.724 395 K HN 0.427 nan 8.250 nan 0.000 0.446 396 E N -0.691 119.572 120.200 0.104 0.000 2.077 396 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 396 E C 1.875 178.548 176.600 0.120 0.000 0.989 396 E CA 1.715 58.167 56.400 0.087 0.000 0.800 396 E CB -0.532 29.180 29.700 0.020 0.000 0.746 396 E HN 0.246 nan 8.360 nan 0.000 0.452 397 T N 0.591 115.214 114.554 0.114 0.000 2.720 397 T HA -0.189 4.161 4.350 -0.001 0.000 0.268 397 T C 1.362 176.185 174.700 0.204 0.000 1.037 397 T CA 1.217 63.386 62.100 0.116 0.000 1.144 397 T CB -0.426 68.484 68.868 0.070 0.000 0.864 397 T HN 0.412 nan 8.240 nan 0.000 0.444 398 W N 1.885 123.266 121.300 0.136 0.000 2.363 398 W HA -0.129 4.529 4.660 -0.004 0.000 0.296 398 W C 1.967 178.663 176.519 0.295 0.000 1.212 398 W CA 1.350 58.820 57.345 0.209 0.000 1.260 398 W CB -0.139 29.445 29.460 0.206 0.000 1.131 398 W HN 0.258 nan 8.180 nan 0.000 0.530 399 E N -0.186 120.097 120.200 0.139 0.000 2.106 399 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 399 E C 2.206 178.869 176.600 0.104 0.000 0.984 399 E CA 2.117 58.559 56.400 0.071 0.000 0.806 399 E CB -0.492 29.274 29.700 0.110 0.000 0.750 399 E HN -0.023 nan 8.360 nan 0.000 0.458 400 T N -0.665 113.950 114.554 0.101 0.000 2.821 400 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 400 T C 1.149 175.908 174.700 0.098 0.000 1.046 400 T CA 1.262 63.420 62.100 0.098 0.000 1.139 400 T CB -0.340 68.583 68.868 0.093 0.000 0.871 400 T HN 0.383 nan 8.240 nan 0.000 0.454 401 W N 0.112 121.330 121.300 -0.136 0.000 2.481 401 W HA 0.087 4.750 4.660 0.005 0.000 0.293 401 W C 1.935 178.323 176.519 -0.217 0.000 1.201 401 W CA -0.190 57.037 57.345 -0.196 0.000 1.328 401 W CB -0.640 28.662 29.460 -0.263 0.000 1.112 401 W HN 0.338 nan 8.180 nan 0.000 0.546 402 W N 1.726 122.700 121.300 -0.543 0.000 2.304 402 W HA -0.341 4.318 4.660 -0.002 0.000 0.315 402 W C 2.684 178.956 176.519 -0.412 0.000 1.233 402 W CA 3.949 60.917 57.345 -0.629 0.000 1.261 402 W CB -0.742 28.372 29.460 -0.575 0.000 1.150 402 W HN -0.022 nan 8.180 nan 0.000 0.494 403 T N -2.359 112.100 114.554 -0.157 0.000 2.896 403 T HA -0.161 4.189 4.350 -0.001 0.000 0.263 403 T C 1.504 176.022 174.700 -0.304 0.000 1.050 403 T CA 1.427 63.356 62.100 -0.284 0.000 1.140 403 T CB -0.482 68.402 68.868 0.027 0.000 0.877 403 T HN 0.166 nan 8.240 nan 0.000 0.457 404 E N 0.179 120.239 120.200 -0.233 0.000 2.481 404 E HA 0.079 4.429 4.350 -0.001 0.000 0.195 404 E C -0.264 176.206 176.600 -0.217 0.000 1.047 404 E CA -0.177 56.116 56.400 -0.177 0.000 0.867 404 E CB -0.309 29.345 29.700 -0.078 0.000 0.858 404 E HN 0.656 nan 8.360 nan 0.000 0.513 405 Y N 0.902 120.804 120.300 -0.662 0.000 2.342 405 Y HA 0.173 4.724 4.550 0.002 0.000 0.334 405 Y C 0.844 176.402 175.900 -0.571 0.000 1.067 405 Y CA -1.715 55.942 58.100 -0.738 0.000 1.128 405 Y CB 0.428 38.046 38.460 -1.404 0.000 1.200 405 Y HN 0.138 nan 8.280 nan 0.000 0.464 406 W N 3.878 124.707 121.300 -0.786 0.000 2.418 406 W HA -0.004 4.656 4.660 0.000 0.000 0.292 406 W C 0.004 176.035 176.519 -0.814 0.000 1.213 406 W CA 0.309 57.237 57.345 -0.695 0.000 1.283 406 W CB -0.471 28.707 29.460 -0.470 0.000 1.119 406 W HN 0.540 nan 8.180 nan 0.000 0.542 407 Q N 1.490 119.737 119.800 -2.589 0.000 2.454 407 Q HA 0.376 4.716 4.340 -0.001 0.000 0.247 407 Q C -0.068 175.334 176.000 -0.995 0.000 1.028 407 Q CA -0.059 54.567 55.803 -1.962 0.000 0.910 407 Q CB 1.121 28.535 28.738 -2.207 0.000 1.276 407 Q HN 0.102 nan 8.270 nan 0.000 0.489 408 A N 1.865 124.362 122.820 -0.539 0.000 2.363 408 A HA 0.452 4.771 4.320 -0.001 0.000 0.270 408 A C -0.279 177.221 177.584 -0.140 0.000 1.121 408 A CA 0.064 51.930 52.037 -0.284 0.000 0.800 408 A CB 1.170 20.083 19.000 -0.145 0.000 1.052 408 A HN 0.616 nan 8.150 nan 0.000 0.493 409 T N 1.036 115.607 114.554 0.029 0.000 2.894 409 T HA 0.582 4.932 4.350 -0.001 0.000 0.309 409 T C -2.021 173.061 174.700 0.637 0.000 1.208 409 T CA -0.195 62.082 62.100 0.294 0.000 1.016 409 T CB 0.824 69.865 68.868 0.289 0.000 1.192 409 T HN 0.944 nan 8.240 nan 0.000 0.491 410 W N 3.811 125.353 121.300 0.403 0.000 3.275 410 W HA 0.718 5.380 4.660 0.003 0.000 0.306 410 W C -2.540 174.024 176.519 0.075 0.000 1.259 410 W CA -0.845 56.717 57.345 0.361 0.000 1.194 410 W CB 1.003 30.594 29.460 0.219 0.000 1.375 410 W HN 0.634 nan 8.180 nan 0.000 0.564 411 I N 5.164 125.159 120.570 -0.959 0.000 2.533 411 I HA 0.306 4.475 4.170 -0.001 0.000 0.290 411 I C -2.052 173.091 176.117 -1.623 0.000 1.056 411 I CA -2.084 58.482 61.300 -1.224 0.000 1.057 411 I CB 2.297 39.446 38.000 -1.419 0.000 1.240 411 I HN 0.076 nan 8.210 nan 0.000 0.423 412 P HA 0.006 nan 4.420 nan 0.000 0.272 412 P C -0.420 176.721 177.300 -0.265 0.000 1.254 412 P CA -0.369 62.234 63.100 -0.828 0.000 0.795 412 P CB 0.432 31.947 31.700 -0.308 0.000 1.022 413 E N 1.355 121.534 120.200 -0.035 0.000 2.529 413 E HA -0.020 4.330 4.350 -0.001 0.000 0.259 413 E C -0.916 175.796 176.600 0.186 0.000 0.966 413 E CA 0.401 56.832 56.400 0.052 0.000 0.937 413 E CB 0.172 29.889 29.700 0.028 0.000 0.923 413 E HN 0.361 nan 8.360 nan 0.000 0.468 414 W N 2.940 124.182 121.300 -0.097 0.000 3.025 414 W HA 0.485 5.140 4.660 -0.007 0.000 0.343 414 W C -1.579 174.917 176.519 -0.038 0.000 1.246 414 W CA -0.966 56.353 57.345 -0.044 0.000 1.178 414 W CB 0.201 29.596 29.460 -0.109 0.000 1.463 414 W HN 0.569 nan 8.180 nan 0.000 0.578 415 E N 0.965 121.190 120.200 0.042 0.000 2.366 415 E HA 0.477 4.826 4.350 -0.001 0.000 0.278 415 E C -1.699 174.995 176.600 0.156 0.000 0.923 415 E CA -0.852 55.438 56.400 -0.183 0.000 0.761 415 E CB 2.706 32.329 29.700 -0.129 0.000 1.231 415 E HN 0.185 nan 8.360 nan 0.000 0.443 416 F N 2.524 122.431 119.950 -0.071 0.000 2.553 416 F HA 0.298 4.816 4.527 -0.015 0.000 0.356 416 F C -0.670 175.188 175.800 0.097 0.000 1.142 416 F CA -0.090 57.993 58.000 0.139 0.000 1.322 416 F CB 0.968 40.011 39.000 0.072 0.000 1.126 416 F HN 0.284 nan 8.300 nan 0.000 0.599 417 V N 6.519 126.042 119.914 -0.651 0.000 2.538 417 V HA 0.088 4.208 4.120 -0.001 0.000 0.265 417 V C -0.224 175.380 176.094 -0.817 0.000 0.977 417 V CA -1.200 60.731 62.300 -0.614 0.000 0.852 417 V CB 0.695 32.408 31.823 -0.183 0.000 1.058 417 V HN 0.793 nan 8.190 nan 0.000 0.462 418 N N 2.754 120.693 118.700 -1.269 0.000 2.386 418 N HA 0.016 4.756 4.740 -0.001 0.000 0.273 418 N C -0.104 175.294 175.510 -0.187 0.000 1.331 418 N CA 0.925 53.653 53.050 -0.538 0.000 0.891 418 N CB 0.664 39.028 38.487 -0.207 0.000 1.139 418 N HN 0.684 nan 8.380 nan 0.000 0.487 419 T N 4.354 118.882 114.554 -0.044 0.000 3.901 419 T HA 0.163 4.512 4.350 -0.001 0.000 0.222 419 T C -2.608 172.106 174.700 0.023 0.000 0.853 419 T CA -0.650 61.437 62.100 -0.022 0.000 1.576 419 T CB 0.822 69.666 68.868 -0.040 0.000 0.787 419 T HN 0.370 nan 8.240 nan 0.000 0.612 420 P HA 0.043 nan 4.420 nan 0.000 0.268 420 P C -2.504 174.807 177.300 0.017 0.000 1.171 420 P CA -0.522 62.598 63.100 0.033 0.000 0.761 420 P CB -0.136 31.576 31.700 0.020 0.000 0.786 421 P HA 0.193 nan 4.420 nan 0.000 0.281 421 P C -0.388 176.939 177.300 0.046 0.000 1.252 421 P CA -0.042 63.068 63.100 0.015 0.000 0.778 421 P CB 0.475 32.176 31.700 0.001 0.000 0.895 422 L N 2.096 123.352 121.223 0.055 0.000 2.456 422 L HA 0.438 4.777 4.340 -0.001 0.000 0.257 422 L C 0.581 177.492 176.870 0.067 0.000 1.162 422 L CA -0.959 53.941 54.840 0.101 0.000 0.808 422 L CB 0.717 42.846 42.059 0.116 0.000 1.136 422 L HN 0.158 nan 8.230 nan 0.000 0.466 423 V N 1.665 121.638 119.914 0.098 0.000 2.370 423 V HA 0.528 4.648 4.120 -0.001 0.000 0.279 423 V C -0.460 175.647 176.094 0.022 0.000 1.029 423 V CA -0.273 62.086 62.300 0.097 0.000 0.870 423 V CB 1.053 32.987 31.823 0.184 0.000 0.984 423 V HN 0.887 nan 8.190 nan 0.000 0.451 424 K N 5.919 126.302 120.400 -0.028 0.000 2.283 424 K HA 0.713 5.033 4.320 -0.001 0.000 0.257 424 K C -1.371 175.188 176.600 -0.068 0.000 1.066 424 K CA -0.938 55.289 56.287 -0.100 0.000 0.891 424 K CB 1.016 33.392 32.500 -0.206 0.000 1.438 424 K HN 0.552 nan 8.250 nan 0.000 0.464 425 L N 1.389 122.555 121.223 -0.094 0.000 2.272 425 L HA 0.388 4.728 4.340 -0.001 0.000 0.289 425 L C -0.185 176.660 176.870 -0.043 0.000 1.032 425 L CA -0.564 54.257 54.840 -0.032 0.000 0.810 425 L CB 0.763 42.782 42.059 -0.068 0.000 1.205 425 L HN 0.613 nan 8.230 nan 0.000 0.422 426 W N 3.331 124.540 121.300 -0.152 0.000 3.077 426 W HA 0.080 4.746 4.660 0.010 0.000 0.245 426 W C -0.011 176.573 176.519 0.109 0.000 1.316 426 W CA -0.301 57.035 57.345 -0.016 0.000 1.537 426 W CB -0.666 28.828 29.460 0.055 0.000 1.131 426 W HN 0.478 nan 8.180 nan 0.000 0.695 427 Y N -2.978 117.430 120.300 0.179 0.000 2.661 427 Y HA 0.531 5.080 4.550 -0.002 0.000 0.339 427 Y C -1.226 174.726 175.900 0.087 0.000 1.186 427 Y CA -2.060 56.107 58.100 0.111 0.000 1.137 427 Y CB 0.336 38.860 38.460 0.107 0.000 1.354 427 Y HN -0.232 nan 8.280 nan 0.000 0.469 428 Q N 2.005 121.962 119.800 0.262 0.000 2.375 428 Q HA 0.707 5.047 4.340 -0.001 0.000 0.271 428 Q C -1.497 174.636 176.000 0.221 0.000 1.074 428 Q CA -0.690 55.217 55.803 0.173 0.000 0.808 428 Q CB 2.634 31.433 28.738 0.103 0.000 1.327 428 Q HN 0.750 nan 8.270 nan 0.000 0.441 429 L N 1.981 123.313 121.223 0.182 0.000 2.334 429 L HA 0.406 4.745 4.340 -0.001 0.000 0.277 429 L C 0.240 177.194 176.870 0.139 0.000 1.075 429 L CA -0.929 54.002 54.840 0.152 0.000 0.804 429 L CB 1.003 43.131 42.059 0.115 0.000 1.174 429 L HN 0.441 nan 8.230 nan 0.000 0.438 430 E N 2.026 122.330 120.200 0.174 0.000 2.384 430 E HA 0.009 4.359 4.350 -0.001 0.000 0.266 430 E C 0.344 177.107 176.600 0.271 0.000 1.012 430 E CA 0.120 56.645 56.400 0.209 0.000 0.901 430 E CB 0.976 30.822 29.700 0.243 0.000 0.967 430 E HN 0.428 nan 8.360 nan 0.000 0.435 431 K N 1.378 121.887 120.400 0.182 0.000 2.366 431 K HA 0.005 4.324 4.320 -0.001 0.000 0.198 431 K C 0.324 177.054 176.600 0.217 0.000 1.044 431 K CA 0.710 57.102 56.287 0.175 0.000 0.973 431 K CB 0.404 32.962 32.500 0.097 0.000 0.767 431 K HN 0.347 nan 8.250 nan 0.000 0.475 432 E N -0.020 120.242 120.200 0.104 0.000 2.408 432 E HA 0.288 4.637 4.350 -0.001 0.000 0.275 432 E C -2.738 173.459 176.600 -0.673 0.000 0.935 432 E CA -2.411 53.878 56.400 -0.185 0.000 0.775 432 E CB 1.580 31.206 29.700 -0.122 0.000 1.277 432 E HN -0.176 nan 8.360 nan 0.000 0.455 433 P HA 0.178 nan 4.420 nan 0.000 0.271 433 P C -0.081 176.989 177.300 -0.384 0.000 1.233 433 P CA 0.007 62.464 63.100 -1.072 0.000 0.789 433 P CB 0.656 31.919 31.700 -0.729 0.000 0.951 434 I N 0.058 120.509 120.570 -0.198 0.000 2.392 434 I HA 0.229 4.398 4.170 -0.001 0.000 0.295 434 I C 0.258 176.342 176.117 -0.056 0.000 0.985 434 I CA -1.271 59.981 61.300 -0.080 0.000 1.221 434 I CB 1.546 39.537 38.000 -0.015 0.000 1.366 434 I HN -0.027 nan 8.210 nan 0.000 0.467 435 V N 5.288 125.178 119.914 -0.040 0.000 2.432 435 V HA 0.401 4.521 4.120 -0.001 0.000 0.271 435 V C 1.072 177.162 176.094 -0.008 0.000 1.046 435 V CA 0.555 62.840 62.300 -0.025 0.000 0.945 435 V CB 0.408 32.217 31.823 -0.023 0.000 0.992 435 V HN 1.178 nan 8.190 nan 0.000 0.471 436 G N 3.959 112.758 108.800 -0.001 0.000 2.157 436 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.239 436 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.239 436 G C 0.259 175.170 174.900 0.019 0.000 0.982 436 G CA 0.042 45.147 45.100 0.008 0.000 0.650 436 G HN 1.409 nan 8.290 nan 0.000 0.527 437 A N -0.033 122.801 122.820 0.023 0.000 2.306 437 A HA 0.759 5.078 4.320 -0.001 0.000 0.314 437 A C 0.386 178.009 177.584 0.064 0.000 1.164 437 A CA 0.345 52.408 52.037 0.044 0.000 0.822 437 A CB 0.801 19.827 19.000 0.043 0.000 1.130 437 A HN 0.622 nan 8.150 nan 0.000 0.496 438 E N 0.584 120.843 120.200 0.099 0.000 2.438 438 E HA 0.202 4.551 4.350 -0.001 0.000 0.261 438 E C -0.689 176.003 176.600 0.153 0.000 1.103 438 E CA 0.493 56.958 56.400 0.109 0.000 0.959 438 E CB 0.413 30.209 29.700 0.159 0.000 0.958 438 E HN 0.514 nan 8.360 nan 0.000 0.447 439 T N 3.711 118.311 114.554 0.077 0.000 2.892 439 T HA 0.336 4.686 4.350 -0.001 0.000 0.311 439 T C -1.268 173.465 174.700 0.055 0.000 1.033 439 T CA -0.474 61.680 62.100 0.089 0.000 0.991 439 T CB -0.008 68.889 68.868 0.050 0.000 0.981 439 T HN 0.219 nan 8.240 nan 0.000 0.457 440 F N 2.603 122.475 119.950 -0.131 0.000 2.408 440 F HA 0.502 5.030 4.527 0.000 0.000 0.344 440 F C -0.163 175.552 175.800 -0.141 0.000 1.112 440 F CA -1.357 56.587 58.000 -0.093 0.000 1.096 440 F CB 0.742 39.593 39.000 -0.248 0.000 1.129 440 F HN 0.471 nan 8.300 nan 0.000 0.486 441 Y N 2.679 123.094 120.300 0.191 0.000 2.369 441 Y HA 0.533 5.083 4.550 -0.000 0.000 0.337 441 Y C -0.024 175.981 175.900 0.175 0.000 0.961 441 Y CA -1.206 56.972 58.100 0.130 0.000 1.186 441 Y CB 1.293 39.795 38.460 0.069 0.000 1.139 441 Y HN 0.410 nan 8.280 nan 0.000 0.494 442 V N -0.151 119.905 119.914 0.236 0.000 2.667 442 V HA 0.830 4.950 4.120 -0.001 0.000 0.308 442 V C -0.998 175.182 176.094 0.144 0.000 1.048 442 V CA -0.542 61.890 62.300 0.221 0.000 0.928 442 V CB 2.166 34.100 31.823 0.185 0.000 1.004 442 V HN 0.637 nan 8.190 nan 0.000 0.444 443 D N 0.939 121.417 120.400 0.130 0.000 2.579 443 D HA 0.841 5.481 4.640 -0.001 0.000 0.257 443 D C -0.466 175.882 176.300 0.081 0.000 1.176 443 D CA 0.306 54.355 54.000 0.081 0.000 0.914 443 D CB 2.388 43.219 40.800 0.052 0.000 1.431 443 D HN 1.233 nan 8.370 nan 0.000 0.454 444 G N -0.334 108.505 108.800 0.065 0.000 2.760 444 G HA2 0.686 4.646 3.960 -0.001 0.000 0.296 444 G HA3 0.686 4.646 3.960 -0.001 0.000 0.296 444 G C -1.698 173.237 174.900 0.058 0.000 1.427 444 G CA -0.179 44.961 45.100 0.066 0.000 1.109 444 G HN 0.537 nan 8.290 nan 0.000 0.553 445 A N 0.436 123.289 122.820 0.055 0.000 2.475 445 A HA 1.058 5.378 4.320 -0.001 0.000 0.301 445 A C -0.310 177.299 177.584 0.043 0.000 1.059 445 A CA -0.176 51.894 52.037 0.056 0.000 0.710 445 A CB 1.965 21.005 19.000 0.067 0.000 1.288 445 A HN 2.388 nan 8.150 nan 0.000 0.408 446 A N 1.697 124.539 122.820 0.037 0.000 2.488 446 A HA 0.658 4.978 4.320 -0.001 0.000 0.298 446 A C -0.741 176.855 177.584 0.020 0.000 1.044 446 A CA -0.659 51.393 52.037 0.026 0.000 0.693 446 A CB 1.056 20.068 19.000 0.020 0.000 1.272 446 A HN 0.931 nan 8.150 nan 0.000 0.402 447 N N 0.668 119.377 118.700 0.016 0.000 2.508 447 N HA 0.134 4.874 4.740 -0.001 0.000 0.264 447 N C 0.913 176.426 175.510 0.006 0.000 1.216 447 N CA -0.111 52.946 53.050 0.010 0.000 0.943 447 N CB 0.976 39.468 38.487 0.008 0.000 1.113 447 N HN 0.729 nan 8.380 nan 0.000 0.447 448 R N 1.750 122.252 120.500 0.004 0.000 2.334 448 R HA 0.193 4.532 4.340 -0.001 0.000 0.216 448 R C 0.218 176.518 176.300 -0.000 0.000 0.905 448 R CA 0.731 56.832 56.100 0.000 0.000 1.064 448 R CB 0.156 30.455 30.300 -0.001 0.000 1.046 448 R HN 0.625 nan 8.270 nan 0.000 0.508 449 E N -0.158 120.043 120.200 0.001 0.000 2.447 449 E HA 0.019 4.368 4.350 -0.001 0.000 0.204 449 E C 0.712 177.312 176.600 0.001 0.000 0.977 449 E CA 1.033 57.433 56.400 0.000 0.000 0.950 449 E CB 1.176 30.875 29.700 -0.000 0.000 0.975 449 E HN 0.480 nan 8.360 nan 0.000 0.496 450 T N -2.212 112.343 114.554 0.002 0.000 2.958 450 T HA 0.192 4.542 4.350 -0.001 0.000 0.256 450 T C 0.678 175.381 174.700 0.005 0.000 0.983 450 T CA -0.341 61.761 62.100 0.003 0.000 0.924 450 T CB 0.156 69.027 68.868 0.004 0.000 1.136 450 T HN -0.083 nan 8.240 nan 0.000 0.506 451 K N 0.618 121.021 120.400 0.005 0.000 3.117 451 K HA -0.118 4.202 4.320 -0.001 0.000 0.269 451 K C -1.021 175.584 176.600 0.009 0.000 1.098 451 K CA 0.004 56.295 56.287 0.006 0.000 0.785 451 K CB -1.736 30.767 32.500 0.004 0.000 1.242 451 K HN 0.319 nan 8.250 nan 0.000 0.491 452 L N 0.201 121.430 121.223 0.010 0.000 2.309 452 L HA 0.631 4.971 4.340 -0.001 0.000 0.282 452 L C 0.792 177.672 176.870 0.016 0.000 1.036 452 L CA 0.363 55.210 54.840 0.012 0.000 0.806 452 L CB 1.792 43.857 42.059 0.010 0.000 1.220 452 L HN 0.227 nan 8.230 nan 0.000 0.429 453 G N 2.479 111.291 108.800 0.019 0.000 2.694 453 G HA2 0.687 4.646 3.960 -0.001 0.000 0.290 453 G HA3 0.687 4.646 3.960 -0.001 0.000 0.290 453 G C -1.599 173.317 174.900 0.027 0.000 1.386 453 G CA -0.646 44.469 45.100 0.025 0.000 0.872 453 G HN 0.368 nan 8.290 nan 0.000 0.475 454 K N -0.403 120.016 120.400 0.032 0.000 2.468 454 K HA 0.707 5.026 4.320 -0.001 0.000 0.252 454 K C -0.610 176.015 176.600 0.042 0.000 0.932 454 K CA -0.609 55.697 56.287 0.031 0.000 0.794 454 K CB 2.613 35.127 32.500 0.024 0.000 1.241 454 K HN 0.744 nan 8.250 nan 0.000 0.428 455 A N 1.262 124.110 122.820 0.046 0.000 2.387 455 A HA 1.002 5.321 4.320 -0.001 0.000 0.303 455 A C -0.350 177.269 177.584 0.059 0.000 1.145 455 A CA -0.283 51.794 52.037 0.066 0.000 0.801 455 A CB 1.850 20.900 19.000 0.083 0.000 1.342 455 A HN 0.824 nan 8.150 nan 0.000 0.440 456 G N -1.612 107.246 108.800 0.096 0.000 2.356 456 G HA2 0.575 4.534 3.960 -0.001 0.000 0.288 456 G HA3 0.575 4.534 3.960 -0.001 0.000 0.288 456 G C -1.206 173.803 174.900 0.182 0.000 1.302 456 G CA 0.222 45.366 45.100 0.074 0.000 0.887 456 G HN 2.327 nan 8.290 nan 0.000 0.521 457 Y N -3.079 117.280 120.300 0.097 0.000 2.764 457 Y HA 0.856 5.406 4.550 -0.000 0.000 0.331 457 Y C -1.051 174.900 175.900 0.085 0.000 1.280 457 Y CA -1.481 56.698 58.100 0.131 0.000 1.065 457 Y CB 1.115 39.717 38.460 0.236 0.000 1.319 457 Y HN 1.019 nan 8.280 nan 0.000 0.453 458 V N 1.070 121.228 119.914 0.406 0.000 3.012 458 V HA 0.759 4.879 4.120 -0.001 0.000 0.307 458 V C -0.525 175.713 176.094 0.240 0.000 1.166 458 V CA -0.032 62.394 62.300 0.210 0.000 0.974 458 V CB 1.926 33.786 31.823 0.063 0.000 1.040 458 V HN 1.242 nan 8.190 nan 0.000 0.428 459 T N -0.788 113.803 114.554 0.062 0.000 2.864 459 T HA 0.349 4.699 4.350 -0.001 0.000 0.289 459 T C 0.508 175.191 174.700 -0.028 0.000 1.082 459 T CA -0.267 61.798 62.100 -0.058 0.000 1.009 459 T CB 1.842 70.422 68.868 -0.481 0.000 1.234 459 T HN 0.705 nan 8.240 nan 0.000 0.526 460 N N 0.145 118.839 118.700 -0.010 0.000 2.461 460 N HA 0.001 4.740 4.740 -0.001 0.000 0.188 460 N C 0.718 176.209 175.510 -0.032 0.000 1.134 460 N CA -0.061 52.990 53.050 0.002 0.000 0.878 460 N CB -0.248 38.266 38.487 0.044 0.000 0.972 460 N HN 0.600 nan 8.380 nan 0.000 0.456 461 R N -0.219 120.239 120.500 -0.070 0.000 2.696 461 R HA 0.243 4.583 4.340 -0.001 0.000 0.355 461 R C 0.761 177.032 176.300 -0.049 0.000 1.138 461 R CA 0.261 56.325 56.100 -0.059 0.000 1.059 461 R CB 0.204 30.458 30.300 -0.076 0.000 1.380 461 R HN 0.307 nan 8.270 nan 0.000 0.578 462 G N 2.238 111.013 108.800 -0.043 0.000 3.078 462 G HA2 -0.448 3.512 3.960 -0.001 0.000 0.227 462 G HA3 -0.448 3.512 3.960 -0.001 0.000 0.227 462 G C 0.439 175.320 174.900 -0.031 0.000 1.306 462 G CA 0.504 45.584 45.100 -0.033 0.000 0.841 462 G HN 0.517 nan 8.290 nan 0.000 0.530 463 R N 1.538 122.024 120.500 -0.025 0.000 2.862 463 R HA 0.375 4.715 4.340 -0.001 0.000 0.267 463 R C 0.297 176.601 176.300 0.008 0.000 0.995 463 R CA 1.116 57.217 56.100 0.002 0.000 1.140 463 R CB -0.087 30.238 30.300 0.041 0.000 1.031 463 R HN 1.081 nan 8.270 nan 0.000 0.459 464 Q N -0.412 119.351 119.800 -0.062 0.000 2.849 464 Q HA 0.338 4.677 4.340 -0.001 0.000 0.267 464 Q C -1.952 173.760 176.000 -0.479 0.000 0.957 464 Q CA -1.217 54.390 55.803 -0.327 0.000 0.856 464 Q CB 1.439 30.065 28.738 -0.187 0.000 1.740 464 Q HN 0.759 nan 8.270 nan 0.000 0.441 465 K N 1.089 120.990 120.400 -0.831 0.000 2.532 465 K HA 0.745 5.064 4.320 -0.001 0.000 0.265 465 K C -1.790 174.603 176.600 -0.344 0.000 0.948 465 K CA -0.581 55.422 56.287 -0.474 0.000 0.842 465 K CB 2.700 34.977 32.500 -0.372 0.000 1.392 465 K HN 0.526 nan 8.250 nan 0.000 0.436 466 V N 1.216 121.032 119.914 -0.164 0.000 3.141 466 V HA 0.684 4.803 4.120 -0.001 0.000 0.312 466 V C -1.157 174.914 176.094 -0.039 0.000 1.157 466 V CA -0.850 61.399 62.300 -0.085 0.000 1.041 466 V CB 2.227 34.013 31.823 -0.061 0.000 1.071 466 V HN 0.572 nan 8.190 nan 0.000 0.441 467 V N 0.277 120.187 119.914 -0.008 0.000 2.823 467 V HA 0.324 4.444 4.120 -0.001 0.000 0.296 467 V C -0.352 175.753 176.094 0.018 0.000 1.250 467 V CA -0.351 61.955 62.300 0.009 0.000 0.939 467 V CB 2.417 34.255 31.823 0.025 0.000 1.062 467 V HN 0.969 nan 8.190 nan 0.000 0.433 468 T N 6.388 120.951 114.554 0.015 0.000 2.897 468 T HA 0.738 5.087 4.350 -0.001 0.000 0.294 468 T C -0.341 174.373 174.700 0.023 0.000 1.004 468 T CA 0.033 62.143 62.100 0.017 0.000 1.106 468 T CB 0.475 69.350 68.868 0.012 0.000 0.949 468 T HN 0.407 nan 8.240 nan 0.000 0.520 469 L N 1.456 122.694 121.223 0.024 0.000 2.359 469 L HA 0.671 5.011 4.340 -0.001 0.000 0.256 469 L C -0.138 176.745 176.870 0.021 0.000 1.026 469 L CA -1.035 53.821 54.840 0.027 0.000 0.828 469 L CB 2.605 44.684 42.059 0.034 0.000 1.406 469 L HN 0.500 nan 8.230 nan 0.000 0.413 470 T N -0.653 113.913 114.554 0.020 0.000 2.893 470 T HA 0.288 4.637 4.350 -0.001 0.000 0.293 470 T C -0.422 174.287 174.700 0.015 0.000 1.027 470 T CA -0.121 61.989 62.100 0.016 0.000 0.988 470 T CB 1.530 70.407 68.868 0.014 0.000 1.043 470 T HN 0.783 nan 8.240 nan 0.000 0.461 471 D N 0.971 121.379 120.400 0.012 0.000 2.945 471 D HA -0.150 4.489 4.640 -0.001 0.000 0.225 471 D C 0.229 176.535 176.300 0.010 0.000 1.158 471 D CA 1.637 55.642 54.000 0.010 0.000 0.805 471 D CB -0.817 39.989 40.800 0.009 0.000 1.098 471 D HN 0.548 nan 8.370 nan 0.000 0.426 472 T N -1.620 112.942 114.554 0.013 0.000 2.893 472 T HA 0.791 5.141 4.350 -0.001 0.000 0.279 472 T C 0.256 174.960 174.700 0.007 0.000 0.991 472 T CA 0.601 62.710 62.100 0.014 0.000 0.950 472 T CB 1.293 70.174 68.868 0.022 0.000 1.223 472 T HN 0.315 nan 8.240 nan 0.000 0.585 473 T N -0.520 114.037 114.554 0.004 0.000 2.812 473 T HA 0.430 4.780 4.350 -0.001 0.000 0.294 473 T C 0.890 175.585 174.700 -0.008 0.000 1.159 473 T CA -0.961 61.134 62.100 -0.009 0.000 1.008 473 T CB 0.995 69.846 68.868 -0.028 0.000 1.289 473 T HN 0.465 nan 8.240 nan 0.000 0.514 474 N N 0.697 119.385 118.700 -0.019 0.000 2.069 474 N HA -0.150 4.589 4.740 -0.001 0.000 0.191 474 N C 1.924 177.420 175.510 -0.023 0.000 1.031 474 N CA 1.789 54.833 53.050 -0.010 0.000 0.852 474 N CB -0.226 38.253 38.487 -0.014 0.000 1.018 474 N HN 0.690 nan 8.380 nan 0.000 0.423 475 Q N 0.647 120.384 119.800 -0.105 0.000 2.230 475 Q HA 0.021 4.360 4.340 -0.001 0.000 0.202 475 Q C 1.556 177.567 176.000 0.018 0.000 0.963 475 Q CA 0.712 56.425 55.803 -0.151 0.000 0.866 475 Q CB -0.064 28.308 28.738 -0.610 0.000 0.931 475 Q HN 0.372 nan 8.270 nan 0.000 0.452 476 K N 0.995 121.401 120.400 0.010 0.000 2.031 476 K HA -0.076 4.244 4.320 -0.001 0.000 0.205 476 K C 2.492 179.134 176.600 0.070 0.000 1.049 476 K CA 1.822 58.140 56.287 0.051 0.000 0.939 476 K CB -0.203 32.315 32.500 0.030 0.000 0.717 476 K HN 0.352 nan 8.250 nan 0.000 0.438 477 T N -0.687 113.901 114.554 0.058 0.000 2.821 477 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 477 T C 1.900 176.654 174.700 0.089 0.000 1.046 477 T CA 1.250 63.392 62.100 0.070 0.000 1.139 477 T CB -0.134 68.767 68.868 0.056 0.000 0.871 477 T HN 0.084 nan 8.240 nan 0.000 0.454 478 E N 1.028 121.284 120.200 0.093 0.000 2.118 478 E HA 0.004 4.353 4.350 -0.001 0.000 0.195 478 E C 1.984 178.662 176.600 0.129 0.000 0.992 478 E CA 0.919 57.388 56.400 0.114 0.000 0.804 478 E CB -0.565 29.215 29.700 0.134 0.000 0.741 478 E HN 0.575 nan 8.360 nan 0.000 0.458 479 L N 0.014 121.321 121.223 0.140 0.000 2.240 479 L HA -0.105 4.234 4.340 -0.001 0.000 0.211 479 L C 2.464 179.410 176.870 0.126 0.000 1.106 479 L CA 0.570 55.487 54.840 0.128 0.000 0.793 479 L CB -0.180 41.960 42.059 0.134 0.000 0.927 479 L HN 0.174 nan 8.230 nan 0.000 0.446 480 Q N 0.022 119.902 119.800 0.132 0.000 2.079 480 Q HA -0.129 4.211 4.340 -0.001 0.000 0.200 480 Q C 2.354 178.457 176.000 0.172 0.000 0.974 480 Q CA 1.727 57.630 55.803 0.166 0.000 0.840 480 Q CB -0.181 28.638 28.738 0.135 0.000 0.898 480 Q HN 0.482 nan 8.270 nan 0.000 0.430 481 A N 0.919 123.824 122.820 0.142 0.000 1.892 481 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 481 A C 2.181 179.844 177.584 0.132 0.000 1.188 481 A CA 1.515 53.644 52.037 0.153 0.000 0.631 481 A CB -0.820 18.266 19.000 0.143 0.000 0.822 481 A HN 0.406 nan 8.150 nan 0.000 0.447 482 I N -1.921 118.711 120.570 0.103 0.000 2.286 482 I HA -0.254 3.916 4.170 -0.001 0.000 0.248 482 I C 2.502 178.652 176.117 0.056 0.000 1.115 482 I CA 1.695 63.024 61.300 0.048 0.000 1.392 482 I CB -0.418 37.606 38.000 0.039 0.000 1.065 482 I HN 0.562 nan 8.210 nan 0.000 0.418 483 Y N 1.891 122.173 120.300 -0.030 0.000 2.145 483 Y HA -0.217 4.332 4.550 -0.001 0.000 0.286 483 Y C 2.256 178.127 175.900 -0.048 0.000 1.145 483 Y CA 1.352 59.426 58.100 -0.044 0.000 1.148 483 Y CB -0.649 37.804 38.460 -0.012 0.000 0.981 483 Y HN 0.012 nan 8.280 nan 0.000 0.507 484 L N -0.101 121.055 121.223 -0.111 0.000 1.956 484 L HA -0.317 4.022 4.340 -0.001 0.000 0.216 484 L C 2.835 179.575 176.870 -0.217 0.000 1.073 484 L CA 1.669 56.411 54.840 -0.164 0.000 0.762 484 L CB -1.335 40.794 42.059 0.116 0.000 0.889 484 L HN 0.300 nan 8.230 nan 0.000 0.433 485 A N 0.002 122.669 122.820 -0.254 0.000 1.884 485 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 485 A C 2.281 179.400 177.584 -0.776 0.000 1.197 485 A CA 2.027 53.623 52.037 -0.735 0.000 0.637 485 A CB -1.012 17.613 19.000 -0.626 0.000 0.827 485 A HN 0.394 nan 8.150 nan 0.000 0.450 486 L N -1.077 119.880 121.223 -0.443 0.000 2.013 486 L HA -0.303 4.037 4.340 -0.001 0.000 0.212 486 L C 2.977 179.678 176.870 -0.282 0.000 1.073 486 L CA 2.113 56.760 54.840 -0.321 0.000 0.753 486 L CB -0.482 41.503 42.059 -0.124 0.000 0.890 486 L HN 0.667 nan 8.230 nan 0.000 0.432 487 Q N 0.030 119.648 119.800 -0.303 0.000 2.002 487 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 487 Q C 0.382 176.267 176.000 -0.191 0.000 0.988 487 Q CA 1.831 57.462 55.803 -0.287 0.000 0.843 487 Q CB 0.117 28.538 28.738 -0.529 0.000 0.908 487 Q HN 0.390 nan 8.270 nan 0.000 0.420 488 D N 1.044 121.336 120.400 -0.181 0.000 3.008 488 D HA 0.087 4.726 4.640 -0.001 0.000 0.242 488 D C -0.690 175.606 176.300 -0.007 0.000 1.222 488 D CA 0.239 54.217 54.000 -0.037 0.000 0.883 488 D CB -0.031 40.844 40.800 0.125 0.000 1.110 488 D HN 0.201 nan 8.370 nan 0.000 0.455 489 S N -2.547 113.103 115.700 -0.084 0.000 2.615 489 S HA 0.677 5.147 4.470 -0.001 0.000 0.269 489 S C 0.479 175.071 174.600 -0.014 0.000 1.161 489 S CA -1.022 57.172 58.200 -0.011 0.000 0.817 489 S CB 1.258 64.375 63.200 -0.138 0.000 1.131 489 S HN 0.102 nan 8.310 nan 0.000 0.467 490 G N -0.156 108.666 108.800 0.037 0.000 2.661 490 G HA2 0.351 4.310 3.960 -0.001 0.000 0.272 490 G HA3 0.351 4.310 3.960 -0.001 0.000 0.272 490 G C 0.338 175.238 174.900 -0.000 0.000 1.296 490 G CA -0.484 44.632 45.100 0.025 0.000 0.998 490 G HN 0.602 nan 8.290 nan 0.000 0.553 491 L N -0.255 120.972 121.223 0.007 0.000 2.551 491 L HA 0.186 4.526 4.340 -0.001 0.000 0.228 491 L C 1.350 178.222 176.870 0.004 0.000 1.153 491 L CA 1.040 55.882 54.840 0.003 0.000 0.851 491 L CB -0.801 41.265 42.059 0.011 0.000 0.959 491 L HN 0.526 nan 8.230 nan 0.000 0.451 492 E N -1.796 118.410 120.200 0.010 0.000 2.369 492 E HA 0.785 5.135 4.350 -0.001 0.000 0.270 492 E C -1.286 175.325 176.600 0.018 0.000 0.909 492 E CA -0.749 55.661 56.400 0.017 0.000 0.775 492 E CB 2.914 32.630 29.700 0.026 0.000 1.270 492 E HN -0.213 nan 8.360 nan 0.000 0.445 493 V N -0.656 119.273 119.914 0.024 0.000 3.234 493 V HA 0.408 4.527 4.120 -0.001 0.000 0.280 493 V C -1.435 174.697 176.094 0.063 0.000 1.580 493 V CA -1.311 61.008 62.300 0.032 0.000 1.032 493 V CB 2.017 33.781 31.823 -0.098 0.000 1.203 493 V HN 0.641 nan 8.190 nan 0.000 0.459 494 N N 1.467 120.225 118.700 0.096 0.000 2.354 494 N HA 0.776 5.515 4.740 -0.001 0.000 0.287 494 N C -1.423 174.121 175.510 0.057 0.000 1.016 494 N CA -0.300 52.825 53.050 0.125 0.000 0.871 494 N CB 2.727 41.283 38.487 0.116 0.000 1.299 494 N HN 0.734 nan 8.380 nan 0.000 0.482 495 I N 1.341 121.912 120.570 0.002 0.000 2.466 495 I HA 0.310 4.479 4.170 -0.001 0.000 0.289 495 I C -0.455 175.597 176.117 -0.108 0.000 1.026 495 I CA -1.073 60.184 61.300 -0.072 0.000 1.078 495 I CB 2.472 40.408 38.000 -0.107 0.000 1.249 495 I HN 0.080 nan 8.210 nan 0.000 0.429 496 V N 5.854 125.663 119.914 -0.175 0.000 2.376 496 V HA 0.577 4.697 4.120 -0.001 0.000 0.287 496 V C -0.554 175.490 176.094 -0.083 0.000 1.015 496 V CA 0.165 62.363 62.300 -0.170 0.000 0.834 496 V CB 1.756 33.391 31.823 -0.313 0.000 1.001 496 V HN 0.840 nan 8.190 nan 0.000 0.428 497 T N 2.973 117.511 114.554 -0.026 0.000 2.932 497 T HA 0.495 4.845 4.350 -0.001 0.000 0.289 497 T C 0.340 175.023 174.700 -0.028 0.000 1.039 497 T CA 0.191 62.303 62.100 0.020 0.000 1.024 497 T CB 1.709 70.623 68.868 0.076 0.000 1.090 497 T HN 0.947 nan 8.240 nan 0.000 0.496 498 D N 0.836 121.210 120.400 -0.044 0.000 2.363 498 D HA 0.175 4.815 4.640 -0.001 0.000 0.214 498 D C 0.457 176.920 176.300 0.271 0.000 1.093 498 D CA -0.208 53.693 54.000 -0.165 0.000 0.837 498 D CB 0.227 40.899 40.800 -0.214 0.000 0.948 498 D HN 0.254 nan 8.370 nan 0.000 0.507 499 S N 0.828 116.725 115.700 0.329 0.000 2.409 499 S HA 0.049 4.519 4.470 -0.001 0.000 0.308 499 S C 1.232 176.019 174.600 0.311 0.000 1.080 499 S CA -0.670 57.728 58.200 0.329 0.000 1.081 499 S CB 0.559 63.901 63.200 0.235 0.000 1.009 499 S HN 0.333 nan 8.310 nan 0.000 0.502 500 Q N 4.149 124.079 119.800 0.217 0.000 2.364 500 Q HA -0.179 4.161 4.340 -0.001 0.000 0.209 500 Q C 1.315 177.269 176.000 -0.077 0.000 0.977 500 Q CA 1.176 56.866 55.803 -0.189 0.000 0.885 500 Q CB -0.513 27.955 28.738 -0.450 0.000 0.941 500 Q HN 0.873 nan 8.270 nan 0.000 0.464 501 Y N 1.957 122.232 120.300 -0.043 0.000 2.060 501 Y HA -0.159 4.391 4.550 -0.000 0.000 0.276 501 Y C 2.560 178.436 175.900 -0.040 0.000 1.127 501 Y CA 1.921 59.997 58.100 -0.041 0.000 1.104 501 Y CB -0.831 37.629 38.460 0.000 0.000 0.983 501 Y HN 0.144 nan 8.280 nan 0.000 0.483 502 A N 0.190 122.936 122.820 -0.124 0.000 2.076 502 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 502 A C 2.178 179.653 177.584 -0.181 0.000 1.160 502 A CA 1.720 53.635 52.037 -0.205 0.000 0.653 502 A CB -1.237 17.790 19.000 0.044 0.000 0.801 502 A HN 0.628 nan 8.150 nan 0.000 0.455 503 L N -0.139 121.008 121.223 -0.127 0.000 2.005 503 L HA 0.038 4.378 4.340 -0.001 0.000 0.207 503 L C 2.451 179.216 176.870 -0.175 0.000 1.072 503 L CA 2.343 57.112 54.840 -0.118 0.000 0.744 503 L CB -1.225 40.759 42.059 -0.124 0.000 0.895 503 L HN 0.287 nan 8.230 nan 0.000 0.433 504 G N 0.109 108.766 108.800 -0.239 0.000 2.553 504 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.218 504 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.218 504 G C 1.665 176.420 174.900 -0.241 0.000 1.195 504 G CA 1.481 46.435 45.100 -0.243 0.000 0.779 504 G HN 0.487 nan 8.290 nan 0.000 0.577 505 I N 0.667 121.010 120.570 -0.378 0.000 2.145 505 I HA -0.237 3.933 4.170 -0.001 0.000 0.244 505 I C 2.709 178.701 176.117 -0.209 0.000 1.075 505 I CA 1.266 62.319 61.300 -0.411 0.000 1.332 505 I CB -0.220 37.498 38.000 -0.469 0.000 1.033 505 I HN 0.223 nan 8.210 nan 0.000 0.410 506 I N -0.495 119.991 120.570 -0.140 0.000 2.333 506 I HA -0.229 3.940 4.170 -0.001 0.000 0.246 506 I C 2.556 178.689 176.117 0.027 0.000 1.106 506 I CA 0.720 62.002 61.300 -0.029 0.000 1.411 506 I CB -0.443 37.532 38.000 -0.043 0.000 1.082 506 I HN 0.179 nan 8.210 nan 0.000 0.420 507 Q N 1.751 121.539 119.800 -0.019 0.000 2.217 507 Q HA -0.193 4.147 4.340 -0.001 0.000 0.209 507 Q C 1.936 177.975 176.000 0.066 0.000 0.988 507 Q CA 2.071 57.880 55.803 0.010 0.000 0.878 507 Q CB -0.350 28.370 28.738 -0.031 0.000 0.909 507 Q HN 0.542 nan 8.270 nan 0.000 0.424 508 A N -0.043 122.815 122.820 0.064 0.000 2.258 508 A HA -0.058 4.261 4.320 -0.001 0.000 0.206 508 A C -0.082 177.541 177.584 0.065 0.000 1.222 508 A CA 0.428 52.526 52.037 0.102 0.000 0.822 508 A CB -0.524 18.536 19.000 0.100 0.000 0.804 508 A HN 0.520 nan 8.150 nan 0.000 0.483 509 Q N -0.763 119.087 119.800 0.083 0.000 2.388 509 Q HA -0.162 4.177 4.340 -0.001 0.000 0.346 509 Q C -2.105 173.871 176.000 -0.040 0.000 1.319 509 Q CA 0.489 56.291 55.803 -0.001 0.000 1.023 509 Q CB -1.659 26.972 28.738 -0.179 0.000 1.247 509 Q HN 0.629 nan 8.270 nan 0.000 0.411 510 P HA 0.002 nan 4.420 nan 0.000 0.274 510 P C -0.059 177.277 177.300 0.060 0.000 1.231 510 P CA 0.379 63.511 63.100 0.053 0.000 0.790 510 P CB 0.801 32.549 31.700 0.080 0.000 0.951 511 D N -1.182 119.189 120.400 -0.048 0.000 2.562 511 D HA 0.098 4.737 4.640 -0.001 0.000 0.246 511 D C 0.019 176.175 176.300 -0.240 0.000 1.347 511 D CA -0.088 53.805 54.000 -0.177 0.000 0.800 511 D CB 0.183 40.738 40.800 -0.409 0.000 1.111 511 D HN 0.431 nan 8.370 nan 0.000 0.508 512 Q N -0.145 119.583 119.800 -0.119 0.000 2.352 512 Q HA 0.559 4.899 4.340 -0.001 0.000 0.270 512 Q C -1.968 174.008 176.000 -0.040 0.000 1.006 512 Q CA -0.580 55.158 55.803 -0.109 0.000 0.880 512 Q CB 2.030 30.703 28.738 -0.109 0.000 1.392 512 Q HN 0.040 nan 8.270 nan 0.000 0.401 513 S N 1.002 116.674 115.700 -0.047 0.000 2.595 513 S HA 0.159 4.629 4.470 -0.001 0.000 0.270 513 S C -0.443 174.131 174.600 -0.042 0.000 1.145 513 S CA -0.022 58.161 58.200 -0.029 0.000 0.825 513 S CB 1.494 64.702 63.200 0.014 0.000 1.107 513 S HN 0.838 nan 8.310 nan 0.000 0.461 514 E N 1.383 121.556 120.200 -0.044 0.000 2.385 514 E HA 0.104 4.454 4.350 -0.001 0.000 0.194 514 E C 0.506 177.089 176.600 -0.029 0.000 1.013 514 E CA 0.360 56.737 56.400 -0.038 0.000 0.866 514 E CB 0.071 29.748 29.700 -0.039 0.000 0.832 514 E HN 0.351 nan 8.360 nan 0.000 0.500 515 S N 0.929 116.618 115.700 -0.019 0.000 2.499 515 S HA 0.087 4.556 4.470 -0.001 0.000 0.275 515 S C 0.860 175.439 174.600 -0.035 0.000 1.257 515 S CA -0.227 57.965 58.200 -0.012 0.000 1.050 515 S CB 1.290 64.500 63.200 0.016 0.000 0.937 515 S HN 0.239 nan 8.310 nan 0.000 0.490 516 E N 4.350 124.526 120.200 -0.040 0.000 2.049 516 E HA -0.176 4.173 4.350 -0.001 0.000 0.198 516 E C 1.710 178.247 176.600 -0.105 0.000 1.007 516 E CA 1.914 58.277 56.400 -0.062 0.000 0.809 516 E CB -0.364 29.307 29.700 -0.048 0.000 0.749 516 E HN 0.817 nan 8.360 nan 0.000 0.450 517 L N -0.414 120.748 121.223 -0.100 0.000 2.012 517 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 517 L C 2.316 179.080 176.870 -0.176 0.000 1.073 517 L CA 1.352 56.094 54.840 -0.163 0.000 0.748 517 L CB -0.270 41.742 42.059 -0.079 0.000 0.891 517 L HN 0.144 nan 8.230 nan 0.000 0.431 518 V N 0.330 120.194 119.914 -0.082 0.000 2.392 518 V HA -0.321 3.799 4.120 -0.001 0.000 0.249 518 V C 2.232 178.269 176.094 -0.096 0.000 1.059 518 V CA 1.995 64.259 62.300 -0.060 0.000 1.051 518 V CB -0.841 30.989 31.823 0.013 0.000 0.658 518 V HN 0.538 nan 8.190 nan 0.000 0.455 519 N N -0.127 118.510 118.700 -0.105 0.000 2.188 519 N HA -0.155 4.584 4.740 -0.001 0.000 0.184 519 N C 1.948 177.367 175.510 -0.152 0.000 1.018 519 N CA 1.260 54.243 53.050 -0.112 0.000 0.858 519 N CB -0.199 38.229 38.487 -0.098 0.000 0.989 519 N HN 0.615 nan 8.380 nan 0.000 0.426 520 Q N 0.542 120.202 119.800 -0.234 0.000 2.124 520 Q HA -0.043 4.296 4.340 -0.001 0.000 0.202 520 Q C 2.129 177.940 176.000 -0.316 0.000 0.977 520 Q CA 0.907 56.512 55.803 -0.331 0.000 0.850 520 Q CB -0.021 28.332 28.738 -0.641 0.000 0.901 520 Q HN 0.428 nan 8.270 nan 0.000 0.429 521 I N 0.476 120.858 120.570 -0.313 0.000 2.163 521 I HA -0.266 3.904 4.170 -0.001 0.000 0.240 521 I C 2.232 178.271 176.117 -0.131 0.000 1.081 521 I CA 1.003 62.204 61.300 -0.165 0.000 1.353 521 I CB -0.303 37.619 38.000 -0.129 0.000 1.054 521 I HN 0.175 nan 8.210 nan 0.000 0.407 522 I N 0.642 121.138 120.570 -0.123 0.000 2.185 522 I HA -0.314 3.856 4.170 -0.001 0.000 0.246 522 I C 2.603 178.668 176.117 -0.088 0.000 1.088 522 I CA 1.371 62.610 61.300 -0.102 0.000 1.347 522 I CB -0.514 37.461 38.000 -0.041 0.000 1.041 522 I HN 0.299 nan 8.210 nan 0.000 0.415 523 E N 0.569 120.729 120.200 -0.068 0.000 2.031 523 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 523 E C 2.230 178.822 176.600 -0.013 0.000 0.994 523 E CA 1.154 57.539 56.400 -0.024 0.000 0.800 523 E CB -0.350 29.337 29.700 -0.021 0.000 0.752 523 E HN 0.540 nan 8.360 nan 0.000 0.447 524 Q N 0.552 120.345 119.800 -0.012 0.000 2.061 524 Q HA -0.122 4.217 4.340 -0.001 0.000 0.204 524 Q C 2.593 178.551 176.000 -0.070 0.000 0.984 524 Q CA 0.916 56.718 55.803 -0.002 0.000 0.846 524 Q CB -0.589 28.178 28.738 0.048 0.000 0.902 524 Q HN 0.348 nan 8.270 nan 0.000 0.421 525 L N 0.235 121.360 121.223 -0.164 0.000 2.042 525 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 525 L C 2.451 179.200 176.870 -0.200 0.000 1.076 525 L CA 1.007 55.657 54.840 -0.317 0.000 0.749 525 L CB -0.518 41.110 42.059 -0.719 0.000 0.893 525 L HN 0.199 nan 8.230 nan 0.000 0.432 526 I N -0.754 119.779 120.570 -0.062 0.000 2.361 526 I HA -0.269 3.900 4.170 -0.001 0.000 0.251 526 I C 2.606 178.777 176.117 0.091 0.000 1.133 526 I CA 0.965 62.343 61.300 0.131 0.000 1.413 526 I CB -0.368 37.765 38.000 0.221 0.000 1.073 526 I HN 0.242 nan 8.210 nan 0.000 0.424 527 K N 1.199 121.623 120.400 0.040 0.000 1.984 527 K HA -0.044 4.275 4.320 -0.001 0.000 0.209 527 K C 0.928 177.541 176.600 0.021 0.000 1.046 527 K CA 0.821 57.128 56.287 0.033 0.000 0.934 527 K CB -0.381 32.131 32.500 0.019 0.000 0.717 527 K HN 0.144 nan 8.250 nan 0.000 0.438 528 K N 1.441 121.838 120.400 -0.005 0.000 2.544 528 K HA -0.148 4.172 4.320 -0.001 0.000 0.274 528 K C 1.367 177.978 176.600 0.018 0.000 0.962 528 K CA 0.768 57.051 56.287 -0.006 0.000 0.946 528 K CB 0.164 32.643 32.500 -0.035 0.000 0.905 528 K HN 0.240 nan 8.250 nan 0.000 0.521 529 E N 0.657 120.867 120.200 0.018 0.000 2.251 529 E HA 0.018 4.367 4.350 -0.001 0.000 0.194 529 E C -0.333 176.289 176.600 0.038 0.000 0.964 529 E CA 0.707 57.125 56.400 0.029 0.000 0.868 529 E CB 0.437 30.151 29.700 0.024 0.000 0.828 529 E HN 0.325 nan 8.360 nan 0.000 0.481 530 K N 0.592 121.012 120.400 0.034 0.000 2.550 530 K HA 0.455 4.774 4.320 -0.001 0.000 0.252 530 K C -1.567 175.060 176.600 0.044 0.000 0.943 530 K CA -0.440 55.876 56.287 0.048 0.000 0.806 530 K CB 3.168 35.695 32.500 0.046 0.000 1.289 530 K HN -0.203 nan 8.250 nan 0.000 0.435 531 V N 2.669 122.621 119.914 0.064 0.000 2.709 531 V HA 0.393 4.513 4.120 -0.001 0.000 0.308 531 V C -1.706 174.463 176.094 0.125 0.000 1.062 531 V CA -0.855 61.476 62.300 0.052 0.000 0.901 531 V CB 1.848 33.663 31.823 -0.013 0.000 1.003 531 V HN 0.766 nan 8.190 nan 0.000 0.425 532 Y N 5.115 125.406 120.300 -0.013 0.000 2.327 532 Y HA 0.625 5.174 4.550 -0.001 0.000 0.325 532 Y C -1.075 174.816 175.900 -0.014 0.000 0.999 532 Y CA -0.580 57.519 58.100 -0.002 0.000 1.195 532 Y CB 1.370 39.830 38.460 0.000 0.000 1.132 532 Y HN 0.596 nan 8.280 nan 0.000 0.455 533 L N 5.987 126.938 121.223 -0.453 0.000 2.289 533 L HA 0.886 5.226 4.340 -0.001 0.000 0.285 533 L C -0.639 175.908 176.870 -0.539 0.000 1.049 533 L CA -0.508 54.119 54.840 -0.354 0.000 0.804 533 L CB 0.985 42.929 42.059 -0.192 0.000 1.195 533 L HN 0.863 nan 8.230 nan 0.000 0.428 534 A N 4.275 126.917 122.820 -0.297 0.000 2.454 534 A HA 0.579 4.899 4.320 -0.001 0.000 0.302 534 A C -2.096 175.514 177.584 0.044 0.000 1.079 534 A CA -0.498 51.442 52.037 -0.161 0.000 0.731 534 A CB 1.420 20.384 19.000 -0.059 0.000 1.299 534 A HN 0.786 nan 8.150 nan 0.000 0.413 535 W N 1.529 122.780 121.300 -0.081 0.000 2.761 535 W HA 0.640 5.300 4.660 -0.001 0.000 0.340 535 W C -0.955 175.560 176.519 -0.006 0.000 1.072 535 W CA -0.316 57.003 57.345 -0.043 0.000 1.215 535 W CB 2.015 31.445 29.460 -0.049 0.000 1.420 535 W HN 1.024 nan 8.180 nan 0.000 0.519 536 V N 2.494 121.645 119.914 -1.272 0.000 3.087 536 V HA 0.676 4.796 4.120 -0.001 0.000 0.306 536 V C -2.846 172.183 176.094 -1.774 0.000 1.187 536 V CA -3.003 58.575 62.300 -1.203 0.000 0.999 536 V CB 1.504 33.035 31.823 -0.487 0.000 1.049 536 V HN 0.480 nan 8.190 nan 0.000 0.431 537 P HA 0.364 nan 4.420 nan 0.000 0.267 537 P C -0.236 176.844 177.300 -0.367 0.000 1.200 537 P CA 0.582 63.327 63.100 -0.592 0.000 0.772 537 P CB 0.510 32.083 31.700 -0.211 0.000 0.855 538 A N 2.395 125.111 122.820 -0.174 0.000 2.271 538 A HA 0.348 4.667 4.320 -0.001 0.000 0.288 538 A C 0.274 177.777 177.584 -0.134 0.000 1.094 538 A CA -0.300 51.595 52.037 -0.237 0.000 0.828 538 A CB -0.398 18.440 19.000 -0.270 0.000 1.091 538 A HN 0.800 nan 8.150 nan 0.000 0.493 539 H N -1.594 117.462 119.070 -0.024 0.000 2.822 539 H HA -0.147 4.408 4.556 -0.001 0.000 0.295 539 H C 0.212 175.526 175.328 -0.023 0.000 1.151 539 H CA 1.564 57.602 56.048 -0.016 0.000 1.151 539 H CB -1.251 28.510 29.762 -0.001 0.000 1.343 539 H HN 0.598 nan 8.280 nan 0.000 0.382 540 K N -0.418 119.996 120.400 0.024 0.000 2.583 540 K HA 0.535 4.855 4.320 -0.001 0.000 0.263 540 K C 1.743 178.340 176.600 -0.006 0.000 1.038 540 K CA 0.259 56.551 56.287 0.009 0.000 1.031 540 K CB 0.237 32.723 32.500 -0.024 0.000 1.399 540 K HN 0.075 nan 8.250 nan 0.000 0.531 541 G N 0.145 108.937 108.800 -0.013 0.000 2.430 541 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.216 541 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.216 541 G C 0.131 175.011 174.900 -0.034 0.000 1.146 541 G CA 0.099 45.188 45.100 -0.019 0.000 0.793 541 G HN 0.535 nan 8.290 nan 0.000 0.537 542 I N 2.678 123.223 120.570 -0.040 0.000 3.549 542 I HA -0.139 4.031 4.170 -0.001 0.000 0.333 542 I C 1.687 177.765 176.117 -0.064 0.000 1.232 542 I CA 0.026 61.298 61.300 -0.046 0.000 1.557 542 I CB -0.980 36.987 38.000 -0.056 0.000 1.338 542 I HN 0.124 nan 8.210 nan 0.000 0.456 543 G N 4.542 113.296 108.800 -0.077 0.000 2.818 543 G HA2 0.257 4.216 3.960 -0.001 0.000 0.235 543 G HA3 0.257 4.216 3.960 -0.001 0.000 0.235 543 G C 1.112 175.851 174.900 -0.268 0.000 1.244 543 G CA 0.068 45.084 45.100 -0.141 0.000 0.853 543 G HN 1.274 nan 8.290 nan 0.000 0.596 544 G N 1.157 109.699 108.800 -0.430 0.000 3.548 544 G HA2 -0.442 3.517 3.960 -0.001 0.000 0.224 544 G HA3 -0.442 3.517 3.960 -0.001 0.000 0.224 544 G C 1.539 176.225 174.900 -0.357 0.000 1.351 544 G CA 1.269 45.851 45.100 -0.864 0.000 0.905 544 G HN 1.067 nan 8.290 nan 0.000 0.561 545 N N 1.946 120.572 118.700 -0.124 0.000 2.244 545 N HA 0.001 4.740 4.740 -0.001 0.000 0.183 545 N C 2.028 177.511 175.510 -0.046 0.000 1.016 545 N CA 2.058 55.105 53.050 -0.005 0.000 0.866 545 N CB -0.263 38.212 38.487 -0.019 0.000 0.980 545 N HN 0.827 nan 8.380 nan 0.000 0.430 546 E N -1.003 119.154 120.200 -0.072 0.000 2.502 546 E HA -0.089 4.261 4.350 -0.001 0.000 0.194 546 E C 1.082 177.654 176.600 -0.047 0.000 1.062 546 E CA 0.275 56.647 56.400 -0.047 0.000 0.867 546 E CB 0.090 29.764 29.700 -0.045 0.000 0.888 546 E HN 0.327 nan 8.360 nan 0.000 0.510 547 Q N 0.728 120.487 119.800 -0.069 0.000 2.084 547 Q HA -0.042 4.297 4.340 -0.001 0.000 0.194 547 Q C 2.725 178.709 176.000 -0.026 0.000 0.969 547 Q CA 1.797 57.564 55.803 -0.060 0.000 0.829 547 Q CB -0.708 27.973 28.738 -0.095 0.000 0.904 547 Q HN 0.393 nan 8.270 nan 0.000 0.464 548 V N 0.416 120.328 119.914 -0.004 0.000 2.392 548 V HA -0.229 3.890 4.120 -0.001 0.000 0.249 548 V C 2.049 178.154 176.094 0.018 0.000 1.059 548 V CA 2.211 64.527 62.300 0.026 0.000 1.051 548 V CB -0.764 31.107 31.823 0.081 0.000 0.658 548 V HN 0.142 nan 8.190 nan 0.000 0.455 549 D N 0.959 121.365 120.400 0.009 0.000 2.133 549 D HA -0.225 4.415 4.640 -0.001 0.000 0.192 549 D C 2.209 178.527 176.300 0.031 0.000 1.001 549 D CA 2.080 56.091 54.000 0.018 0.000 0.844 549 D CB -0.064 40.745 40.800 0.015 0.000 0.944 549 D HN 0.570 nan 8.370 nan 0.000 0.447 550 K N -0.224 120.184 120.400 0.014 0.000 2.103 550 K HA 0.032 4.351 4.320 -0.001 0.000 0.204 550 K C 2.270 178.873 176.600 0.005 0.000 1.052 550 K CA 0.303 56.596 56.287 0.010 0.000 0.945 550 K CB 0.104 32.602 32.500 -0.003 0.000 0.722 550 K HN 0.184 nan 8.250 nan 0.000 0.443 551 L N 0.941 122.163 121.223 -0.002 0.000 2.291 551 L HA -0.051 4.288 4.340 -0.001 0.000 0.214 551 L C 1.488 178.358 176.870 -0.000 0.000 1.120 551 L CA 0.694 55.528 54.840 -0.009 0.000 0.799 551 L CB -0.081 41.963 42.059 -0.024 0.000 0.925 551 L HN 0.065 nan 8.230 nan 0.000 0.446 552 V N -4.252 115.670 119.914 0.014 0.000 3.063 552 V HA 0.295 4.415 4.120 -0.001 0.000 0.379 552 V C 0.213 176.325 176.094 0.030 0.000 1.310 552 V CA -0.357 61.957 62.300 0.023 0.000 1.333 552 V CB -0.161 31.683 31.823 0.035 0.000 1.331 552 V HN 0.144 nan 8.190 nan 0.000 0.527 553 S N 1.109 116.823 115.700 0.024 0.000 2.561 553 S HA 0.981 5.450 4.470 -0.001 0.000 0.303 553 S C -0.111 174.498 174.600 0.015 0.000 1.110 553 S CA 0.193 58.408 58.200 0.026 0.000 1.034 553 S CB 1.733 64.953 63.200 0.032 0.000 1.010 553 S HN 1.602 nan 8.310 nan 0.000 0.482 554 A N 0.000 122.828 122.820 0.014 0.000 2.254 554 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 554 A CA 0.000 52.042 52.037 0.008 0.000 0.836 554 A CB 0.000 19.003 19.000 0.005 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486