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 2rki_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR 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 0.000 177.354 177.300 0.091 0.000 1.155 1 P CA 0.000 63.138 63.100 0.064 0.000 0.800 1 P CB 0.000 31.731 31.700 0.051 0.000 0.726 2 I N 0.114 120.733 120.570 0.080 0.000 2.447 2 I HA 0.375 4.545 4.170 -0.000 0.000 0.287 2 I C 0.186 176.364 176.117 0.101 0.000 1.023 2 I CA -0.749 60.612 61.300 0.101 0.000 1.083 2 I CB 2.011 40.060 38.000 0.082 0.000 1.245 2 I HN 0.327 nan 8.210 nan 0.000 0.434 3 S N 7.672 123.453 115.700 0.133 0.000 2.537 3 S HA 0.156 4.626 4.470 -0.000 0.000 0.286 3 S C -1.187 173.510 174.600 0.162 0.000 1.299 3 S CA -0.933 57.364 58.200 0.163 0.000 1.067 3 S CB 0.641 63.950 63.200 0.181 0.000 0.864 3 S HN 0.466 nan 8.310 nan 0.000 0.494 4 P HA 0.010 nan 4.420 nan 0.000 0.239 4 P C 0.691 178.147 177.300 0.260 0.000 1.184 4 P CA 0.192 63.371 63.100 0.132 0.000 0.760 4 P CB -0.204 31.476 31.700 -0.033 0.000 0.884 5 I N 0.616 121.396 120.570 0.350 0.000 2.813 5 I HA -0.022 4.148 4.170 -0.000 0.000 0.287 5 I C 0.801 177.009 176.117 0.152 0.000 1.196 5 I CA -0.182 61.286 61.300 0.280 0.000 1.421 5 I CB 0.541 38.602 38.000 0.101 0.000 1.365 5 I HN -0.113 nan 8.210 nan 0.000 0.591 6 E N 4.596 124.866 120.200 0.117 0.000 2.467 6 E HA -0.037 4.313 4.350 -0.000 0.000 0.264 6 E C -0.105 176.533 176.600 0.065 0.000 1.020 6 E CA 0.357 56.806 56.400 0.081 0.000 0.945 6 E CB 0.470 30.206 29.700 0.060 0.000 0.942 6 E HN 0.649 nan 8.360 nan 0.000 0.449 7 T N -1.596 112.998 114.554 0.068 0.000 2.882 7 T HA 0.284 4.634 4.350 -0.000 0.000 0.287 7 T C 0.222 174.961 174.700 0.064 0.000 1.014 7 T CA -0.975 61.167 62.100 0.069 0.000 1.049 7 T CB 1.054 69.969 68.868 0.078 0.000 1.001 7 T HN 0.106 nan 8.240 nan 0.000 0.525 8 V N 4.745 124.702 119.914 0.072 0.000 2.461 8 V HA 0.341 4.461 4.120 -0.000 0.000 0.275 8 V C -1.769 174.379 176.094 0.090 0.000 1.047 8 V CA -1.764 60.584 62.300 0.080 0.000 0.955 8 V CB 0.768 32.652 31.823 0.102 0.000 0.988 8 V HN 0.857 nan 8.190 nan 0.000 0.471 9 P HA 0.257 nan 4.420 nan 0.000 0.276 9 P C -0.957 176.376 177.300 0.055 0.000 1.235 9 P CA 0.031 63.172 63.100 0.069 0.000 0.772 9 P CB 1.221 32.952 31.700 0.053 0.000 0.871 10 V N 4.091 124.032 119.914 0.044 0.000 2.735 10 V HA 0.475 4.595 4.120 -0.000 0.000 0.310 10 V C 0.229 176.334 176.094 0.018 0.000 1.061 10 V CA -0.657 61.611 62.300 -0.052 0.000 0.913 10 V CB 2.271 33.920 31.823 -0.290 0.000 1.005 10 V HN 0.465 nan 8.190 nan 0.000 0.428 11 K N 3.070 123.462 120.400 -0.013 0.000 2.395 11 K HA 0.720 5.040 4.320 -0.000 0.000 0.247 11 K C -1.266 175.399 176.600 0.109 0.000 0.973 11 K CA -0.890 55.459 56.287 0.103 0.000 0.828 11 K CB 2.677 35.198 32.500 0.035 0.000 1.272 11 K HN 0.417 nan 8.250 nan 0.000 0.439 12 L N 1.768 123.067 121.223 0.127 0.000 2.439 12 L HA 0.259 4.599 4.340 -0.000 0.000 0.261 12 L C 0.364 177.235 176.870 0.002 0.000 1.153 12 L CA -0.525 54.340 54.840 0.042 0.000 0.808 12 L CB 0.300 42.276 42.059 -0.139 0.000 1.126 12 L HN 0.372 nan 8.230 nan 0.000 0.460 13 K N 2.534 122.932 120.400 -0.004 0.000 2.524 13 K HA 0.053 4.373 4.320 -0.000 0.000 0.279 13 K C -2.168 174.427 176.600 -0.008 0.000 0.993 13 K CA -1.215 55.064 56.287 -0.013 0.000 1.030 13 K CB -0.116 32.381 32.500 -0.005 0.000 0.891 13 K HN 0.312 nan 8.250 nan 0.000 0.488 14 P HA -0.086 nan 4.420 nan 0.000 0.266 14 P C 0.592 177.896 177.300 0.007 0.000 1.195 14 P CA 0.498 63.599 63.100 0.003 0.000 0.768 14 P CB 0.657 32.358 31.700 0.002 0.000 0.838 15 G N 1.297 110.106 108.800 0.014 0.000 2.179 15 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 15 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 15 G C 0.075 174.987 174.900 0.019 0.000 0.977 15 G CA 0.100 45.211 45.100 0.018 0.000 0.641 15 G HN 0.507 nan 8.290 nan 0.000 0.533 16 M N 0.169 119.774 119.600 0.009 0.000 2.528 16 M HA 0.553 5.033 4.480 -0.000 0.000 0.321 16 M C -0.666 175.625 176.300 -0.014 0.000 1.153 16 M CA -0.793 54.508 55.300 0.002 0.000 0.951 16 M CB 1.890 34.485 32.600 -0.008 0.000 1.705 16 M HN 0.112 nan 8.290 nan 0.000 0.451 17 D N 0.588 120.991 120.400 0.006 0.000 2.392 17 D HA 0.593 5.233 4.640 -0.000 0.000 0.246 17 D C -0.009 176.248 176.300 -0.072 0.000 1.013 17 D CA -0.033 53.976 54.000 0.015 0.000 0.993 17 D CB 1.681 42.575 40.800 0.158 0.000 1.219 17 D HN 0.687 nan 8.370 nan 0.000 0.538 18 G N 0.364 109.034 108.800 -0.216 0.000 2.716 18 G HA2 0.299 4.258 3.960 -0.000 0.000 0.251 18 G HA3 0.299 4.258 3.960 -0.000 0.000 0.251 18 G C -2.195 172.733 174.900 0.046 0.000 1.224 18 G CA -0.712 44.149 45.100 -0.399 0.000 0.891 18 G HN 0.442 nan 8.290 nan 0.000 0.561 19 P HA 0.281 nan 4.420 nan 0.000 0.274 19 P C -0.815 176.644 177.300 0.265 0.000 1.231 19 P CA -0.204 62.998 63.100 0.170 0.000 0.790 19 P CB 1.175 32.971 31.700 0.160 0.000 0.951 20 K N 0.861 121.376 120.400 0.192 0.000 3.350 20 K HA 0.267 4.587 4.320 -0.000 0.000 0.181 20 K C -0.678 175.993 176.600 0.117 0.000 1.064 20 K CA -0.352 56.033 56.287 0.164 0.000 0.839 20 K CB 0.847 33.428 32.500 0.134 0.000 0.819 20 K HN 0.169 nan 8.250 nan 0.000 0.523 21 V N 1.585 121.571 119.914 0.119 0.000 2.686 21 V HA 0.121 4.241 4.120 -0.000 0.000 0.295 21 V C 0.364 176.518 176.094 0.101 0.000 1.055 21 V CA -0.435 61.923 62.300 0.098 0.000 1.050 21 V CB 1.096 32.972 31.823 0.088 0.000 0.984 21 V HN 0.250 nan 8.190 nan 0.000 0.482 22 K N 3.252 123.712 120.400 0.100 0.000 2.276 22 K HA 0.245 4.565 4.320 -0.000 0.000 0.283 22 K C -0.136 176.548 176.600 0.139 0.000 1.044 22 K CA -0.200 56.152 56.287 0.108 0.000 0.944 22 K CB 0.756 33.322 32.500 0.111 0.000 1.012 22 K HN 0.660 nan 8.250 nan 0.000 0.472 23 Q N 4.479 124.356 119.800 0.128 0.000 2.293 23 Q HA 0.056 4.395 4.340 -0.000 0.000 0.263 23 Q C -1.260 174.858 176.000 0.196 0.000 1.002 23 Q CA -0.036 55.860 55.803 0.155 0.000 0.910 23 Q CB 0.421 29.231 28.738 0.121 0.000 1.185 23 Q HN 0.671 nan 8.270 nan 0.000 0.401 24 W N 6.609 127.920 121.300 0.018 0.000 2.170 24 W HA 0.300 4.960 4.660 -0.000 0.000 0.336 24 W C -2.319 174.217 176.519 0.028 0.000 1.283 24 W CA -2.111 55.240 57.345 0.010 0.000 1.224 24 W CB 0.870 30.318 29.460 -0.019 0.000 1.132 24 W HN 0.554 nan 8.180 nan 0.000 0.571 25 P HA 0.011 nan 4.420 nan 0.000 0.271 25 P C -0.439 176.786 177.300 -0.126 0.000 1.226 25 P CA 0.026 62.920 63.100 -0.343 0.000 0.765 25 P CB 0.485 31.887 31.700 -0.498 0.000 0.835 26 L N 2.627 123.863 121.223 0.022 0.000 2.387 26 L HA 0.425 4.764 4.340 -0.000 0.000 0.266 26 L C 1.060 177.964 176.870 0.057 0.000 1.059 26 L CA -0.218 54.694 54.840 0.120 0.000 0.801 26 L CB 0.266 42.406 42.059 0.136 0.000 1.223 26 L HN 0.264 nan 8.230 nan 0.000 0.456 27 T N 0.278 114.882 114.554 0.083 0.000 2.860 27 T HA 0.071 4.421 4.350 -0.000 0.000 0.299 27 T C 1.394 176.088 174.700 -0.011 0.000 1.045 27 T CA -0.383 61.742 62.100 0.042 0.000 1.071 27 T CB 0.695 69.607 68.868 0.072 0.000 0.985 27 T HN 0.464 nan 8.240 nan 0.000 0.537 28 E N 0.996 121.186 120.200 -0.017 0.000 2.085 28 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 28 E C 2.283 178.829 176.600 -0.090 0.000 0.994 28 E CA 1.462 57.837 56.400 -0.043 0.000 0.801 28 E CB 0.012 29.698 29.700 -0.024 0.000 0.743 28 E HN 0.814 nan 8.360 nan 0.000 0.453 29 E N 1.437 121.587 120.200 -0.083 0.000 2.110 29 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 29 E C 1.762 178.077 176.600 -0.475 0.000 0.988 29 E CA 1.035 57.338 56.400 -0.162 0.000 0.804 29 E CB -0.170 29.542 29.700 0.021 0.000 0.745 29 E HN 0.130 nan 8.360 nan 0.000 0.458 30 K N 0.528 120.696 120.400 -0.387 0.000 2.103 30 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 30 K C 2.296 178.692 176.600 -0.341 0.000 1.052 30 K CA 1.158 57.142 56.287 -0.505 0.000 0.945 30 K CB -0.075 32.308 32.500 -0.195 0.000 0.722 30 K HN 0.208 nan 8.250 nan 0.000 0.443 31 I N 1.459 121.916 120.570 -0.189 0.000 2.286 31 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 31 I C 2.610 178.640 176.117 -0.146 0.000 1.115 31 I CA 1.163 62.394 61.300 -0.115 0.000 1.392 31 I CB -0.196 37.766 38.000 -0.063 0.000 1.065 31 I HN 0.174 nan 8.210 nan 0.000 0.418 32 K N 1.465 121.744 120.400 -0.200 0.000 2.025 32 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 32 K C 2.283 178.736 176.600 -0.246 0.000 1.049 32 K CA 1.367 57.546 56.287 -0.180 0.000 0.933 32 K CB -0.100 32.306 32.500 -0.158 0.000 0.714 32 K HN 0.235 nan 8.250 nan 0.000 0.438 33 A N 1.659 124.188 122.820 -0.484 0.000 1.884 33 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 33 A C 2.055 179.487 177.584 -0.253 0.000 1.197 33 A CA 1.540 53.241 52.037 -0.560 0.000 0.637 33 A CB -0.804 17.435 19.000 -1.268 0.000 0.827 33 A HN 0.313 nan 8.150 nan 0.000 0.450 34 L N -0.423 120.673 121.223 -0.213 0.000 2.042 34 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 34 L C 2.658 179.522 176.870 -0.010 0.000 1.076 34 L CA 1.635 56.437 54.840 -0.062 0.000 0.749 34 L CB -0.906 41.150 42.059 -0.006 0.000 0.893 34 L HN 0.227 nan 8.230 nan 0.000 0.432 35 V N -0.695 119.205 119.914 -0.022 0.000 2.343 35 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 35 V C 2.405 178.501 176.094 0.003 0.000 1.051 35 V CA 1.656 63.968 62.300 0.020 0.000 1.036 35 V CB -0.498 31.327 31.823 0.003 0.000 0.654 35 V HN 0.488 nan 8.190 nan 0.000 0.451 36 E N -0.003 120.181 120.200 -0.028 0.000 2.058 36 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 36 E C 2.165 178.760 176.600 -0.008 0.000 0.997 36 E CA 1.665 58.056 56.400 -0.015 0.000 0.801 36 E CB -0.242 29.447 29.700 -0.019 0.000 0.746 36 E HN 0.552 nan 8.360 nan 0.000 0.450 37 I N 0.656 121.220 120.570 -0.011 0.000 2.226 37 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 37 I C 2.364 178.455 176.117 -0.043 0.000 1.100 37 I CA 0.736 62.035 61.300 -0.001 0.000 1.374 37 I CB -0.204 37.808 38.000 0.019 0.000 1.057 37 I HN 0.246 nan 8.210 nan 0.000 0.413 38 C N 0.026 119.280 119.300 -0.077 0.000 2.450 38 C HA -0.099 4.361 4.460 -0.000 0.000 0.279 38 C C 2.980 177.833 174.990 -0.229 0.000 1.335 38 C CA 1.093 59.967 59.018 -0.241 0.000 1.749 38 C CB -1.052 26.485 27.740 -0.338 0.000 1.963 38 C HN 0.498 nan 8.230 nan 0.000 0.501 39 T N 0.716 115.229 114.554 -0.069 0.000 2.684 39 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 39 T C 1.755 176.432 174.700 -0.037 0.000 1.036 39 T CA 1.874 63.964 62.100 -0.016 0.000 1.148 39 T CB -0.277 68.600 68.868 0.015 0.000 0.863 39 T HN 0.508 nan 8.240 nan 0.000 0.436 40 E N 0.978 121.158 120.200 -0.035 0.000 2.077 40 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 40 E C 2.110 178.683 176.600 -0.044 0.000 0.989 40 E CA 1.277 57.663 56.400 -0.022 0.000 0.800 40 E CB -0.328 29.371 29.700 -0.000 0.000 0.746 40 E HN 0.498 nan 8.360 nan 0.000 0.452 41 M N -0.016 119.531 119.600 -0.088 0.000 2.175 41 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 41 M C 2.301 178.506 176.300 -0.158 0.000 1.063 41 M CA 1.454 56.670 55.300 -0.139 0.000 1.119 41 M CB -0.222 32.245 32.600 -0.223 0.000 1.377 41 M HN 0.131 nan 8.290 nan 0.000 0.415 42 E N 0.724 120.826 120.200 -0.163 0.000 2.110 42 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 42 E C 1.693 178.265 176.600 -0.047 0.000 0.988 42 E CA 1.019 57.356 56.400 -0.105 0.000 0.804 42 E CB 0.210 29.893 29.700 -0.028 0.000 0.745 42 E HN 0.242 nan 8.360 nan 0.000 0.458 43 K N 0.644 121.022 120.400 -0.035 0.000 2.211 43 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 43 K C 1.441 178.031 176.600 -0.017 0.000 1.050 43 K CA 1.059 57.336 56.287 -0.016 0.000 0.945 43 K CB -0.068 32.427 32.500 -0.009 0.000 0.732 43 K HN 0.323 nan 8.250 nan 0.000 0.451 44 E N -0.815 119.369 120.200 -0.027 0.000 2.476 44 E HA 0.152 4.502 4.350 -0.000 0.000 0.196 44 E C 0.676 177.262 176.600 -0.022 0.000 1.029 44 E CA 0.291 56.682 56.400 -0.015 0.000 0.896 44 E CB 0.444 30.143 29.700 -0.002 0.000 1.012 44 E HN 0.358 nan 8.360 nan 0.000 0.475 45 G N 1.893 110.670 108.800 -0.038 0.000 2.199 45 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 45 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 45 G C 1.180 176.040 174.900 -0.067 0.000 0.982 45 G CA 0.551 45.630 45.100 -0.035 0.000 0.632 45 G HN 0.080 nan 8.290 nan 0.000 0.529 46 K N 0.307 120.632 120.400 -0.126 0.000 2.063 46 K HA 0.064 4.384 4.320 -0.000 0.000 0.208 46 K C 1.716 178.157 176.600 -0.265 0.000 1.048 46 K CA 1.871 58.019 56.287 -0.232 0.000 0.928 46 K CB -0.372 31.876 32.500 -0.421 0.000 0.713 46 K HN 0.942 nan 8.250 nan 0.000 0.442 47 I N -3.490 116.919 120.570 -0.268 0.000 3.042 47 I HA 0.441 4.611 4.170 -0.000 0.000 0.310 47 I C -0.843 175.223 176.117 -0.086 0.000 1.117 47 I CA -0.941 60.206 61.300 -0.254 0.000 1.003 47 I CB 2.575 40.317 38.000 -0.430 0.000 1.228 47 I HN -0.322 nan 8.210 nan 0.000 0.443 48 S N 1.503 117.212 115.700 0.015 0.000 2.547 48 S HA 0.422 4.892 4.470 -0.000 0.000 0.281 48 S C -0.834 173.834 174.600 0.115 0.000 1.118 48 S CA -0.886 57.359 58.200 0.075 0.000 0.947 48 S CB 1.927 65.135 63.200 0.014 0.000 1.053 48 S HN 0.508 nan 8.310 nan 0.000 0.482 49 K N 2.438 122.870 120.400 0.053 0.000 2.448 49 K HA 0.322 4.642 4.320 -0.000 0.000 0.278 49 K C 0.100 176.611 176.600 -0.147 0.000 1.009 49 K CA 0.214 56.382 56.287 -0.197 0.000 0.995 49 K CB 0.118 32.480 32.500 -0.230 0.000 0.917 49 K HN 0.594 nan 8.250 nan 0.000 0.481 50 I N -1.902 118.552 120.570 -0.193 0.000 3.206 50 I HA 0.581 4.751 4.170 -0.000 0.000 0.313 50 I C 0.458 176.491 176.117 -0.140 0.000 1.103 50 I CA -1.268 59.953 61.300 -0.132 0.000 0.985 50 I CB 1.558 39.496 38.000 -0.104 0.000 1.240 50 I HN 0.536 nan 8.210 nan 0.000 0.464 51 G N 0.757 109.495 108.800 -0.104 0.000 2.553 51 G HA2 0.423 4.383 3.960 -0.000 0.000 0.278 51 G HA3 0.423 4.383 3.960 -0.000 0.000 0.278 51 G C -1.782 173.058 174.900 -0.100 0.000 1.349 51 G CA -0.916 44.125 45.100 -0.098 0.000 1.037 51 G HN 0.641 nan 8.290 nan 0.000 0.508 52 P HA 0.026 nan 4.420 nan 0.000 0.240 52 P C 1.203 178.456 177.300 -0.079 0.000 1.190 52 P CA 0.641 63.691 63.100 -0.083 0.000 0.781 52 P CB 0.375 32.031 31.700 -0.074 0.000 0.931 53 E N 0.754 120.908 120.200 -0.077 0.000 2.347 53 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 53 E C 0.422 176.961 176.600 -0.102 0.000 1.008 53 E CA 0.197 56.549 56.400 -0.079 0.000 0.852 53 E CB -1.432 28.229 29.700 -0.066 0.000 0.783 53 E HN 0.305 nan 8.360 nan 0.000 0.505 54 N N 3.022 121.664 118.700 -0.096 0.000 2.431 54 N HA 0.011 4.751 4.740 -0.000 0.000 0.265 54 N C -1.493 173.912 175.510 -0.175 0.000 1.184 54 N CA -0.998 51.986 53.050 -0.111 0.000 0.943 54 N CB 1.072 39.536 38.487 -0.038 0.000 1.080 54 N HN -0.145 nan 8.380 nan 0.000 0.477 55 P HA -0.071 nan 4.420 nan 0.000 0.229 55 P C -0.682 176.426 177.300 -0.319 0.000 1.160 55 P CA 0.855 63.708 63.100 -0.411 0.000 0.777 55 P CB 0.125 31.470 31.700 -0.593 0.000 0.814 56 Y N 0.699 121.026 120.300 0.044 0.000 2.307 56 Y HA 0.505 5.055 4.550 -0.000 0.000 0.324 56 Y C 0.970 176.917 175.900 0.077 0.000 1.238 56 Y CA -0.562 57.586 58.100 0.079 0.000 1.280 56 Y CB 0.329 38.859 38.460 0.117 0.000 1.248 56 Y HN -0.109 nan 8.280 nan 0.000 0.508 57 N N -0.778 118.082 118.700 0.266 0.000 2.598 57 N HA 0.536 5.276 4.740 -0.000 0.000 0.263 57 N C -1.885 173.744 175.510 0.199 0.000 1.254 57 N CA -0.485 52.689 53.050 0.206 0.000 0.863 57 N CB 1.842 40.413 38.487 0.140 0.000 1.586 57 N HN 0.545 nan 8.380 nan 0.000 0.491 58 T N 2.346 117.020 114.554 0.199 0.000 2.886 58 T HA 0.531 4.881 4.350 -0.000 0.000 0.292 58 T C -2.823 171.932 174.700 0.092 0.000 1.012 58 T CA -0.927 61.246 62.100 0.122 0.000 0.982 58 T CB 1.944 70.848 68.868 0.059 0.000 1.018 58 T HN 0.330 nan 8.240 nan 0.000 0.451 59 P HA 0.210 nan 4.420 nan 0.000 0.265 59 P C -0.934 176.384 177.300 0.031 0.000 1.193 59 P CA -0.336 62.801 63.100 0.062 0.000 0.765 59 P CB 0.541 32.259 31.700 0.030 0.000 0.823 60 V N 5.612 125.595 119.914 0.116 0.000 2.540 60 V HA 0.595 4.715 4.120 -0.000 0.000 0.302 60 V C -1.211 175.030 176.094 0.245 0.000 1.035 60 V CA -0.802 61.567 62.300 0.115 0.000 0.873 60 V CB 0.599 32.514 31.823 0.154 0.000 0.992 60 V HN 0.426 nan 8.190 nan 0.000 0.428 61 F N 5.114 125.077 119.950 0.022 0.000 2.594 61 F HA 0.903 5.430 4.527 -0.000 0.000 0.335 61 F C -0.010 175.828 175.800 0.064 0.000 1.058 61 F CA -0.458 57.575 58.000 0.055 0.000 0.981 61 F CB 2.222 41.251 39.000 0.048 0.000 1.289 61 F HN 0.692 nan 8.300 nan 0.000 0.490 62 A N 4.081 126.646 122.820 -0.424 0.000 2.427 62 A HA 0.693 5.013 4.320 -0.000 0.000 0.298 62 A C -1.893 175.423 177.584 -0.447 0.000 1.036 62 A CA -0.524 51.340 52.037 -0.288 0.000 0.701 62 A CB 1.488 20.395 19.000 -0.155 0.000 1.250 62 A HN 0.805 nan 8.150 nan 0.000 0.412 63 I N 0.644 121.136 120.570 -0.130 0.000 3.042 63 I HA 0.573 4.742 4.170 -0.000 0.000 0.310 63 I C -0.526 175.563 176.117 -0.048 0.000 1.117 63 I CA -1.030 60.207 61.300 -0.105 0.000 1.003 63 I CB 2.058 39.966 38.000 -0.154 0.000 1.228 63 I HN 0.634 nan 8.210 nan 0.000 0.443 64 K N 3.352 123.601 120.400 -0.251 0.000 2.219 64 K HA 0.186 4.506 4.320 -0.000 0.000 0.258 64 K C -0.815 175.636 176.600 -0.249 0.000 1.008 64 K CA 0.204 56.217 56.287 -0.456 0.000 0.928 64 K CB 0.475 32.693 32.500 -0.470 0.000 0.983 64 K HN 0.411 nan 8.250 nan 0.000 0.484 65 K N 2.905 123.151 120.400 -0.258 0.000 2.404 65 K HA 0.117 4.437 4.320 -0.000 0.000 0.257 65 K C -0.734 175.792 176.600 -0.123 0.000 1.026 65 K CA -0.303 55.897 56.287 -0.145 0.000 0.951 65 K CB 0.321 32.753 32.500 -0.114 0.000 1.203 65 K HN 0.415 nan 8.250 nan 0.000 0.446 66 K N 2.423 122.767 120.400 -0.094 0.000 3.130 66 K HA -0.266 4.054 4.320 -0.000 0.000 0.282 66 K C -0.198 176.354 176.600 -0.080 0.000 1.145 66 K CA 1.591 57.834 56.287 -0.074 0.000 0.831 66 K CB -1.933 30.531 32.500 -0.061 0.000 1.226 66 K HN 1.150 nan 8.250 nan 0.000 0.478 67 D N -2.123 118.214 120.400 -0.104 0.000 3.059 67 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 67 D C 0.039 176.272 176.300 -0.111 0.000 1.079 67 D CA 1.384 55.323 54.000 -0.102 0.000 0.986 67 D CB -0.777 39.981 40.800 -0.071 0.000 1.090 67 D HN 0.438 nan 8.370 nan 0.000 0.428 68 S N -2.364 113.258 115.700 -0.130 0.000 2.590 68 S HA 0.628 5.098 4.470 -0.000 0.000 0.282 68 S C 1.115 175.603 174.600 -0.187 0.000 1.136 68 S CA 0.467 58.591 58.200 -0.126 0.000 1.030 68 S CB 1.183 64.322 63.200 -0.101 0.000 1.195 68 S HN 0.218 nan 8.310 nan 0.000 0.506 69 T N 1.200 115.655 114.554 -0.165 0.000 3.054 69 T HA 0.276 4.626 4.350 -0.000 0.000 0.255 69 T C -0.042 174.515 174.700 -0.238 0.000 1.035 69 T CA -0.076 61.899 62.100 -0.208 0.000 0.941 69 T CB 0.003 68.813 68.868 -0.096 0.000 1.026 69 T HN 0.354 nan 8.240 nan 0.000 0.533 70 K N 1.101 121.390 120.400 -0.185 0.000 2.295 70 K HA 0.294 4.614 4.320 -0.000 0.000 0.270 70 K C -0.925 175.552 176.600 -0.204 0.000 1.011 70 K CA -0.230 55.996 56.287 -0.102 0.000 0.953 70 K CB 0.646 33.118 32.500 -0.048 0.000 0.956 70 K HN 0.218 nan 8.250 nan 0.000 0.477 71 W N 1.204 122.488 121.300 -0.028 0.000 2.578 71 W HA 0.447 5.107 4.660 -0.000 0.000 0.346 71 W C 0.074 176.571 176.519 -0.037 0.000 1.075 71 W CA -0.621 56.700 57.345 -0.041 0.000 1.233 71 W CB 1.346 30.782 29.460 -0.039 0.000 1.358 71 W HN 0.362 nan 8.180 nan 0.000 0.574 72 R N 2.351 122.988 120.500 0.227 0.000 2.628 72 R HA 0.353 4.693 4.340 -0.000 0.000 0.288 72 R C -0.792 175.572 176.300 0.107 0.000 0.980 72 R CA -0.956 55.219 56.100 0.126 0.000 0.891 72 R CB 1.531 31.865 30.300 0.057 0.000 1.188 72 R HN 0.510 nan 8.270 nan 0.000 0.450 73 K N 3.709 124.161 120.400 0.086 0.000 2.249 73 K HA 0.248 4.567 4.320 -0.000 0.000 0.280 73 K C -1.337 175.298 176.600 0.060 0.000 1.033 73 K CA -0.504 55.818 56.287 0.058 0.000 0.946 73 K CB 0.809 33.338 32.500 0.049 0.000 1.005 73 K HN 0.336 nan 8.250 nan 0.000 0.469 74 L N 5.667 126.924 121.223 0.055 0.000 2.415 74 L HA 0.324 4.664 4.340 -0.000 0.000 0.268 74 L C -1.523 175.366 176.870 0.032 0.000 0.984 74 L CA -0.581 54.304 54.840 0.075 0.000 0.853 74 L CB 1.577 43.717 42.059 0.135 0.000 1.215 74 L HN 0.414 nan 8.230 nan 0.000 0.419 75 V N 3.243 123.113 119.914 -0.074 0.000 2.607 75 V HA 0.328 4.448 4.120 -0.000 0.000 0.289 75 V C -0.154 175.775 176.094 -0.274 0.000 1.053 75 V CA -0.495 61.626 62.300 -0.298 0.000 0.996 75 V CB 1.487 32.925 31.823 -0.642 0.000 0.995 75 V HN 0.718 nan 8.190 nan 0.000 0.476 76 D N 2.760 122.992 120.400 -0.279 0.000 2.467 76 D HA 0.289 4.928 4.640 -0.000 0.000 0.220 76 D C -0.008 176.204 176.300 -0.147 0.000 1.103 76 D CA -0.329 53.592 54.000 -0.131 0.000 0.886 76 D CB 0.513 41.277 40.800 -0.060 0.000 1.025 76 D HN 0.356 nan 8.370 nan 0.000 0.514 77 F N 2.138 122.142 119.950 0.090 0.000 2.692 77 F HA 0.266 4.792 4.527 -0.000 0.000 0.303 77 F C 2.130 178.001 175.800 0.119 0.000 1.114 77 F CA -0.234 57.840 58.000 0.125 0.000 1.361 77 F CB 0.074 39.177 39.000 0.172 0.000 1.063 77 F HN 0.262 nan 8.300 nan 0.000 0.550 78 R N 0.170 120.799 120.500 0.214 0.000 2.113 78 R HA -0.248 4.092 4.340 -0.000 0.000 0.244 78 R C 2.024 178.415 176.300 0.152 0.000 1.142 78 R CA 1.978 58.167 56.100 0.148 0.000 0.953 78 R CB -0.223 30.127 30.300 0.082 0.000 0.860 78 R HN 0.169 nan 8.270 nan 0.000 0.438 79 E N 0.669 120.962 120.200 0.155 0.000 2.076 79 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 79 E C 1.842 178.545 176.600 0.171 0.000 0.979 79 E CA 0.654 57.136 56.400 0.137 0.000 0.807 79 E CB -0.169 29.601 29.700 0.117 0.000 0.761 79 E HN 0.184 nan 8.360 nan 0.000 0.454 80 L N 0.613 121.989 121.223 0.255 0.000 2.012 80 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 80 L C 1.687 178.737 176.870 0.301 0.000 1.073 80 L CA 1.631 56.646 54.840 0.292 0.000 0.748 80 L CB -0.509 41.812 42.059 0.438 0.000 0.891 80 L HN 0.231 nan 8.230 nan 0.000 0.431 81 N N 0.496 119.376 118.700 0.301 0.000 2.061 81 N HA -0.277 4.463 4.740 -0.000 0.000 0.193 81 N C 1.680 177.263 175.510 0.121 0.000 1.030 81 N CA 1.514 54.676 53.050 0.187 0.000 0.856 81 N CB -0.370 38.197 38.487 0.132 0.000 1.023 81 N HN 0.333 nan 8.380 nan 0.000 0.424 82 K N 1.022 121.489 120.400 0.111 0.000 2.211 82 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 82 K C 1.394 178.037 176.600 0.072 0.000 1.047 82 K CA 1.162 57.494 56.287 0.075 0.000 0.935 82 K CB 0.108 32.648 32.500 0.068 0.000 0.728 82 K HN 0.159 nan 8.250 nan 0.000 0.452 83 R N -0.101 120.456 120.500 0.096 0.000 2.290 83 R HA 0.095 4.435 4.340 -0.000 0.000 0.197 83 R C 0.110 176.466 176.300 0.092 0.000 0.913 83 R CA 0.128 56.268 56.100 0.067 0.000 1.040 83 R CB 0.578 30.898 30.300 0.033 0.000 0.992 83 R HN 0.030 nan 8.270 nan 0.000 0.500 84 T N 2.383 117.039 114.554 0.170 0.000 2.910 84 T HA 0.046 4.395 4.350 -0.000 0.000 0.293 84 T C 0.108 174.854 174.700 0.076 0.000 1.015 84 T CA -0.517 61.718 62.100 0.226 0.000 1.094 84 T CB 1.278 70.393 68.868 0.412 0.000 0.968 84 T HN 0.229 nan 8.240 nan 0.000 0.521 85 Q N 2.141 121.926 119.800 -0.024 0.000 2.414 85 Q HA 0.038 4.378 4.340 -0.000 0.000 0.288 85 Q C -0.786 175.048 176.000 -0.277 0.000 1.086 85 Q CA -0.241 55.443 55.803 -0.199 0.000 0.943 85 Q CB 0.368 28.888 28.738 -0.362 0.000 1.282 85 Q HN 0.419 nan 8.270 nan 0.000 0.438 86 D N 1.236 121.502 120.400 -0.223 0.000 2.362 86 D HA 0.259 4.899 4.640 -0.000 0.000 0.242 86 D C -0.779 175.315 176.300 -0.342 0.000 1.132 86 D CA 0.227 54.142 54.000 -0.142 0.000 0.907 86 D CB 0.390 41.156 40.800 -0.057 0.000 1.195 86 D HN 0.380 nan 8.370 nan 0.000 0.429 87 F N -0.169 119.738 119.950 -0.072 0.000 2.575 87 F HA 0.289 4.816 4.527 -0.000 0.000 0.330 87 F C 0.569 176.405 175.800 0.060 0.000 1.056 87 F CA -1.214 56.769 58.000 -0.029 0.000 0.964 87 F CB 1.115 40.045 39.000 -0.117 0.000 1.258 87 F HN 0.257 nan 8.300 nan 0.000 0.484 88 W N 2.309 123.678 121.300 0.114 0.000 2.137 88 W HA 0.099 4.759 4.660 -0.001 0.000 0.344 88 W C -0.209 176.345 176.519 0.057 0.000 1.286 88 W CA -0.389 56.991 57.345 0.058 0.000 1.240 88 W CB 0.744 30.228 29.460 0.040 0.000 1.141 88 W HN 0.419 nan 8.180 nan 0.000 0.579 89 E N 2.178 121.752 120.200 -1.045 0.000 2.354 89 E HA -0.009 4.341 4.350 -0.000 0.000 0.269 89 E C 1.032 177.334 176.600 -0.496 0.000 1.036 89 E CA -0.075 55.898 56.400 -0.711 0.000 0.876 89 E CB 1.676 30.914 29.700 -0.771 0.000 1.009 89 E HN 0.351 nan 8.360 nan 0.000 0.416 90 V N 2.508 122.284 119.914 -0.230 0.000 2.220 90 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 90 V C 0.897 176.968 176.094 -0.037 0.000 1.049 90 V CA 1.755 64.002 62.300 -0.088 0.000 1.003 90 V CB -0.305 31.482 31.823 -0.060 0.000 0.634 90 V HN 0.561 nan 8.190 nan 0.000 0.444 91 Q N -1.078 118.698 119.800 -0.039 0.000 2.353 91 Q HA 0.465 4.804 4.340 -0.000 0.000 0.268 91 Q C 0.303 176.296 176.000 -0.011 0.000 1.045 91 Q CA -0.403 55.425 55.803 0.042 0.000 0.811 91 Q CB 2.406 31.229 28.738 0.140 0.000 1.305 91 Q HN 0.241 nan 8.270 nan 0.000 0.447 92 L N 0.284 121.528 121.223 0.035 0.000 2.270 92 L HA 0.247 4.587 4.340 -0.000 0.000 0.210 92 L C 0.899 177.796 176.870 0.046 0.000 1.104 92 L CA 0.560 55.413 54.840 0.021 0.000 0.804 92 L CB 0.172 42.284 42.059 0.088 0.000 0.937 92 L HN 0.760 nan 8.230 nan 0.000 0.450 93 G N -0.029 108.821 108.800 0.084 0.000 2.606 93 G HA2 0.534 4.494 3.960 -0.000 0.000 0.300 93 G HA3 0.534 4.494 3.960 -0.000 0.000 0.300 93 G C -1.669 173.320 174.900 0.149 0.000 1.360 93 G CA -0.548 44.608 45.100 0.093 0.000 0.783 93 G HN 0.011 nan 8.290 nan 0.000 0.484 94 I N -1.694 118.969 120.570 0.155 0.000 2.646 94 I HA 0.730 4.900 4.170 -0.000 0.000 0.299 94 I C -2.535 173.651 176.117 0.115 0.000 1.036 94 I CA -2.521 58.917 61.300 0.231 0.000 1.074 94 I CB 1.949 40.129 38.000 0.300 0.000 1.258 94 I HN 0.214 nan 8.210 nan 0.000 0.430 95 P HA 0.024 nan 4.420 nan 0.000 0.266 95 P C -0.969 176.252 177.300 -0.132 0.000 1.193 95 P CA 0.298 63.267 63.100 -0.218 0.000 0.770 95 P CB 0.216 31.549 31.700 -0.611 0.000 0.836 96 H N 3.682 122.564 119.070 -0.314 0.000 2.473 96 H HA 0.156 4.711 4.556 -0.001 0.000 0.327 96 H C -1.643 173.312 175.328 -0.622 0.000 1.105 96 H CA -2.042 53.737 56.048 -0.448 0.000 1.280 96 H CB 1.331 30.829 29.762 -0.441 0.000 1.450 96 H HN 0.215 nan 8.280 nan 0.000 0.492 97 P HA -0.210 nan 4.420 nan 0.000 0.218 97 P C 1.156 178.115 177.300 -0.568 0.000 1.154 97 P CA 2.318 64.808 63.100 -1.016 0.000 0.872 97 P CB 0.008 30.584 31.700 -1.874 0.000 0.790 98 A N -0.577 122.021 122.820 -0.370 0.000 2.024 98 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 98 A C 2.314 180.018 177.584 0.201 0.000 1.164 98 A CA 1.962 54.085 52.037 0.143 0.000 0.643 98 A CB -1.662 17.513 19.000 0.291 0.000 0.806 98 A HN 0.343 nan 8.150 nan 0.000 0.451 99 G N -1.076 107.623 108.800 -0.168 0.000 2.985 99 G HA2 0.353 4.313 3.960 -0.000 0.000 0.209 99 G HA3 0.353 4.313 3.960 -0.000 0.000 0.209 99 G C 0.440 175.344 174.900 0.006 0.000 1.165 99 G CA -0.357 44.567 45.100 -0.293 0.000 0.776 99 G HN 0.399 nan 8.290 nan 0.000 0.541 100 L N 1.436 122.694 121.223 0.058 0.000 2.360 100 L HA 0.227 4.567 4.340 -0.000 0.000 0.276 100 L C 0.301 177.277 176.870 0.177 0.000 1.121 100 L CA -0.385 54.474 54.840 0.031 0.000 0.845 100 L CB 0.830 42.815 42.059 -0.124 0.000 1.143 100 L HN 0.004 nan 8.230 nan 0.000 0.452 101 K N 3.677 124.158 120.400 0.135 0.000 2.448 101 K HA 0.083 4.403 4.320 -0.000 0.000 0.278 101 K C -0.140 176.467 176.600 0.012 0.000 1.009 101 K CA -0.257 56.110 56.287 0.134 0.000 0.995 101 K CB 0.421 32.970 32.500 0.082 0.000 0.917 101 K HN 0.413 nan 8.250 nan 0.000 0.481 102 K N 3.637 124.078 120.400 0.068 0.000 2.511 102 K HA -0.090 4.230 4.320 -0.000 0.000 0.280 102 K C -0.111 176.471 176.600 -0.029 0.000 1.008 102 K CA 0.840 57.146 56.287 0.032 0.000 1.050 102 K CB 0.124 32.673 32.500 0.082 0.000 0.889 102 K HN 0.570 nan 8.250 nan 0.000 0.484 103 K N 1.212 121.573 120.400 -0.065 0.000 2.556 103 K HA 0.294 4.614 4.320 -0.000 0.000 0.274 103 K C -0.091 176.479 176.600 -0.050 0.000 0.966 103 K CA -1.150 55.107 56.287 -0.051 0.000 0.865 103 K CB 1.319 33.784 32.500 -0.058 0.000 1.444 103 K HN 0.000 nan 8.250 nan 0.000 0.433 104 K N 0.454 120.826 120.400 -0.047 0.000 2.001 104 K HA -0.020 4.300 4.320 -0.000 0.000 0.208 104 K C 0.522 177.055 176.600 -0.112 0.000 1.048 104 K CA 1.759 58.008 56.287 -0.063 0.000 0.932 104 K CB -0.145 32.320 32.500 -0.059 0.000 0.715 104 K HN 0.832 nan 8.250 nan 0.000 0.437 105 S N -0.699 114.889 115.700 -0.185 0.000 2.556 105 S HA 0.547 5.017 4.470 -0.000 0.000 0.271 105 S C -0.760 173.737 174.600 -0.173 0.000 1.135 105 S CA -1.052 56.974 58.200 -0.291 0.000 0.858 105 S CB 2.517 65.312 63.200 -0.675 0.000 1.114 105 S HN -0.129 nan 8.310 nan 0.000 0.468 106 V N 1.642 121.573 119.914 0.028 0.000 2.623 106 V HA 0.645 4.765 4.120 -0.000 0.000 0.304 106 V C -0.557 175.762 176.094 0.375 0.000 1.054 106 V CA -0.360 62.085 62.300 0.241 0.000 0.882 106 V CB 2.146 34.159 31.823 0.318 0.000 1.002 106 V HN 1.076 nan 8.190 nan 0.000 0.424 107 T N 3.755 118.514 114.554 0.341 0.000 2.823 107 T HA 0.523 4.873 4.350 -0.000 0.000 0.279 107 T C -0.659 174.049 174.700 0.013 0.000 0.998 107 T CA -0.352 61.899 62.100 0.251 0.000 0.994 107 T CB 1.905 70.903 68.868 0.217 0.000 0.960 107 T HN 0.486 nan 8.240 nan 0.000 0.448 108 V N 5.685 125.530 119.914 -0.114 0.000 2.394 108 V HA 0.643 4.763 4.120 -0.000 0.000 0.282 108 V C -1.135 174.817 176.094 -0.237 0.000 1.031 108 V CA -0.668 61.368 62.300 -0.439 0.000 0.881 108 V CB 0.505 31.870 31.823 -0.763 0.000 0.982 108 V HN 0.727 nan 8.190 nan 0.000 0.451 109 L N 7.316 128.385 121.223 -0.256 0.000 2.356 109 L HA 0.616 4.956 4.340 -0.000 0.000 0.277 109 L C -0.529 176.245 176.870 -0.161 0.000 0.996 109 L CA -0.748 54.004 54.840 -0.147 0.000 0.822 109 L CB 1.922 43.917 42.059 -0.108 0.000 1.256 109 L HN 0.696 nan 8.230 nan 0.000 0.413 110 D N 2.597 122.932 120.400 -0.108 0.000 2.217 110 D HA 0.378 5.018 4.640 -0.000 0.000 0.248 110 D C -0.460 175.810 176.300 -0.050 0.000 1.008 110 D CA -0.526 53.421 54.000 -0.089 0.000 0.914 110 D CB 2.718 43.470 40.800 -0.080 0.000 1.182 110 D HN 0.078 nan 8.370 nan 0.000 0.451 111 V N 0.898 120.793 119.914 -0.032 0.000 2.432 111 V HA 0.424 4.544 4.120 -0.000 0.000 0.275 111 V C 1.181 177.255 176.094 -0.033 0.000 1.043 111 V CA -0.609 61.697 62.300 0.009 0.000 0.925 111 V CB 1.178 33.071 31.823 0.117 0.000 0.985 111 V HN 0.733 nan 8.190 nan 0.000 0.466 112 G N 2.651 111.443 108.800 -0.013 0.000 2.378 112 G HA2 0.323 4.283 3.960 -0.000 0.000 0.255 112 G HA3 0.323 4.283 3.960 -0.000 0.000 0.255 112 G C 0.029 174.915 174.900 -0.023 0.000 1.270 112 G CA -0.219 44.863 45.100 -0.030 0.000 0.876 112 G HN 0.914 nan 8.290 nan 0.000 0.521 113 D N 0.868 121.221 120.400 -0.078 0.000 2.740 113 D HA -0.253 4.387 4.640 -0.000 0.000 0.231 113 D C 1.556 177.822 176.300 -0.056 0.000 1.194 113 D CA 0.814 54.760 54.000 -0.089 0.000 0.673 113 D CB -1.009 39.812 40.800 0.035 0.000 0.995 113 D HN 0.636 nan 8.370 nan 0.000 0.411 114 A N 0.308 123.010 122.820 -0.197 0.000 1.859 114 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 114 A C 1.824 179.466 177.584 0.097 0.000 1.198 114 A CA 1.351 53.279 52.037 -0.182 0.000 0.629 114 A CB -0.553 17.965 19.000 -0.802 0.000 0.830 114 A HN 0.417 nan 8.150 nan 0.000 0.446 115 Y N -0.881 119.294 120.300 -0.209 0.000 2.165 115 Y HA -0.140 4.410 4.550 -0.000 0.000 0.286 115 Y C 2.274 178.383 175.900 0.348 0.000 1.155 115 Y CA 0.377 58.506 58.100 0.049 0.000 1.164 115 Y CB -1.273 37.157 38.460 -0.050 0.000 0.978 115 Y HN 0.420 nan 8.280 nan 0.000 0.513 116 F N -0.866 119.228 119.950 0.240 0.000 2.604 116 F HA -0.105 4.422 4.527 0.000 0.000 0.298 116 F C 1.830 177.730 175.800 0.167 0.000 1.131 116 F CA 0.349 58.464 58.000 0.193 0.000 1.457 116 F CB -0.055 39.030 39.000 0.142 0.000 1.095 116 F HN -0.082 nan 8.300 nan 0.000 0.574 117 S N -0.129 115.792 115.700 0.369 0.000 2.631 117 S HA 0.109 4.579 4.470 -0.000 0.000 0.217 117 S C 0.260 175.016 174.600 0.261 0.000 0.958 117 S CA 0.107 58.470 58.200 0.271 0.000 0.920 117 S CB 0.064 63.409 63.200 0.242 0.000 0.776 117 S HN -0.097 nan 8.310 nan 0.000 0.517 118 V N 3.931 124.023 119.914 0.297 0.000 2.588 118 V HA 0.409 4.529 4.120 -0.000 0.000 0.304 118 V C -2.463 173.745 176.094 0.190 0.000 1.042 118 V CA -2.317 60.120 62.300 0.230 0.000 0.877 118 V CB 2.170 34.147 31.823 0.255 0.000 0.996 118 V HN 0.018 nan 8.190 nan 0.000 0.425 119 P HA 0.262 nan 4.420 nan 0.000 0.274 119 P C -0.983 176.383 177.300 0.110 0.000 1.231 119 P CA -0.347 62.824 63.100 0.118 0.000 0.790 119 P CB 1.481 33.241 31.700 0.100 0.000 0.951 120 L N 1.978 123.260 121.223 0.099 0.000 2.325 120 L HA 0.440 4.780 4.340 -0.000 0.000 0.278 120 L C -0.129 176.799 176.870 0.096 0.000 1.023 120 L CA -0.696 54.195 54.840 0.084 0.000 0.811 120 L CB 0.672 42.763 42.059 0.053 0.000 1.249 120 L HN 0.241 nan 8.230 nan 0.000 0.431 121 D N 2.854 123.318 120.400 0.107 0.000 2.662 121 D HA -0.105 4.535 4.640 -0.000 0.000 0.233 121 D C 0.924 177.306 176.300 0.138 0.000 1.129 121 D CA 0.854 54.928 54.000 0.123 0.000 0.851 121 D CB 0.772 41.654 40.800 0.138 0.000 1.152 121 D HN 0.734 nan 8.370 nan 0.000 0.507 122 E N 2.484 122.742 120.200 0.097 0.000 2.077 122 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 122 E C 0.895 177.529 176.600 0.055 0.000 0.989 122 E CA 1.036 57.476 56.400 0.067 0.000 0.800 122 E CB 0.092 29.821 29.700 0.047 0.000 0.746 122 E HN 0.602 nan 8.360 nan 0.000 0.452 123 D N -0.375 120.074 120.400 0.082 0.000 2.378 123 D HA -0.109 4.531 4.640 -0.000 0.000 0.222 123 D C 1.105 177.443 176.300 0.062 0.000 0.980 123 D CA 0.622 54.659 54.000 0.061 0.000 0.907 123 D CB 0.007 40.867 40.800 0.100 0.000 0.899 123 D HN 0.142 nan 8.370 nan 0.000 0.527 124 F N 0.716 120.644 119.950 -0.038 0.000 2.694 124 F HA 0.185 4.712 4.527 0.000 0.000 0.292 124 F C 1.973 177.707 175.800 -0.110 0.000 1.121 124 F CA -0.157 57.841 58.000 -0.003 0.000 1.352 124 F CB 0.325 39.374 39.000 0.083 0.000 1.107 124 F HN -0.294 nan 8.300 nan 0.000 0.597 125 R N 1.140 121.593 120.500 -0.078 0.000 2.105 125 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 125 R C 2.151 178.338 176.300 -0.188 0.000 1.135 125 R CA 1.930 57.978 56.100 -0.086 0.000 0.967 125 R CB -0.556 29.744 30.300 0.000 0.000 0.861 125 R HN 0.373 nan 8.270 nan 0.000 0.442 126 K N -0.105 120.106 120.400 -0.315 0.000 2.218 126 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 126 K C 1.023 177.454 176.600 -0.282 0.000 1.046 126 K CA 1.621 57.742 56.287 -0.278 0.000 0.933 126 K CB -0.283 32.009 32.500 -0.348 0.000 0.728 126 K HN 0.191 nan 8.250 nan 0.000 0.454 127 Y N 1.990 122.026 120.300 -0.439 0.000 2.546 127 Y HA 0.005 4.555 4.550 -0.000 0.000 0.287 127 Y C 2.054 177.789 175.900 -0.275 0.000 1.158 127 Y CA 0.970 58.708 58.100 -0.604 0.000 1.307 127 Y CB -0.126 37.710 38.460 -1.039 0.000 1.036 127 Y HN 0.361 nan 8.280 nan 0.000 0.532 128 T N -2.878 111.666 114.554 -0.016 0.000 3.122 128 T HA 0.477 4.827 4.350 -0.000 0.000 0.250 128 T C 0.915 175.879 174.700 0.441 0.000 1.067 128 T CA 0.009 62.254 62.100 0.242 0.000 0.966 128 T CB -0.482 68.517 68.868 0.219 0.000 1.002 128 T HN 0.166 nan 8.240 nan 0.000 0.542 129 A N 1.973 124.968 122.820 0.291 0.000 2.567 129 A HA 0.483 4.803 4.320 -0.000 0.000 0.240 129 A C 0.032 177.838 177.584 0.369 0.000 1.053 129 A CA -0.235 51.957 52.037 0.258 0.000 0.755 129 A CB -0.687 18.406 19.000 0.154 0.000 0.978 129 A HN 0.746 nan 8.150 nan 0.000 0.507 130 F N 0.086 120.131 119.950 0.159 0.000 2.640 130 F HA 0.853 5.380 4.527 -0.000 0.000 0.324 130 F C -0.011 175.856 175.800 0.110 0.000 1.077 130 F CA -0.664 57.413 58.000 0.127 0.000 0.965 130 F CB 1.448 40.523 39.000 0.126 0.000 1.351 130 F HN 0.547 nan 8.300 nan 0.000 0.487 131 T N -0.186 114.469 114.554 0.168 0.000 2.879 131 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 131 T C -0.821 173.962 174.700 0.137 0.000 0.993 131 T CA -0.525 61.596 62.100 0.035 0.000 0.975 131 T CB 0.858 69.739 68.868 0.021 0.000 0.981 131 T HN 0.737 nan 8.240 nan 0.000 0.439 132 I N 5.784 126.412 120.570 0.097 0.000 2.322 132 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 132 I C -1.866 174.277 176.117 0.043 0.000 1.060 132 I CA -2.295 59.076 61.300 0.119 0.000 1.309 132 I CB 0.926 39.008 38.000 0.136 0.000 1.415 132 I HN 0.435 nan 8.210 nan 0.000 0.492 133 P HA 0.072 nan 4.420 nan 0.000 0.271 133 P C -0.238 177.054 177.300 -0.014 0.000 1.218 133 P CA -0.311 62.793 63.100 0.006 0.000 0.780 133 P CB 0.903 32.608 31.700 0.008 0.000 0.901 134 S N 2.643 118.324 115.700 -0.031 0.000 2.600 134 S HA 0.249 4.719 4.470 -0.000 0.000 0.265 134 S C 0.692 175.268 174.600 -0.040 0.000 1.325 134 S CA -0.734 57.444 58.200 -0.037 0.000 1.002 134 S CB -0.172 63.002 63.200 -0.042 0.000 0.921 134 S HN 0.321 nan 8.310 nan 0.000 0.554 135 I N 2.016 122.563 120.570 -0.038 0.000 2.752 135 I HA -0.069 4.101 4.170 -0.000 0.000 0.289 135 I C 1.168 177.256 176.117 -0.047 0.000 1.197 135 I CA 0.410 61.687 61.300 -0.039 0.000 1.432 135 I CB -0.629 37.351 38.000 -0.033 0.000 1.359 135 I HN 0.807 nan 8.210 nan 0.000 0.571 136 N N 4.884 123.551 118.700 -0.056 0.000 2.693 136 N HA -0.262 4.478 4.740 -0.000 0.000 0.255 136 N C -0.236 175.226 175.510 -0.079 0.000 0.975 136 N CA 0.305 53.311 53.050 -0.074 0.000 0.792 136 N CB -0.887 37.564 38.487 -0.060 0.000 0.931 136 N HN 0.671 nan 8.380 nan 0.000 0.541 137 N N -0.460 118.194 118.700 -0.078 0.000 2.714 137 N HA -0.185 4.555 4.740 -0.000 0.000 0.252 137 N C 0.543 176.016 175.510 -0.062 0.000 1.014 137 N CA 1.005 54.010 53.050 -0.075 0.000 0.735 137 N CB -0.166 38.261 38.487 -0.101 0.000 0.924 137 N HN 0.519 nan 8.380 nan 0.000 0.540 138 E N -1.154 119.015 120.200 -0.052 0.000 2.042 138 E HA 0.040 4.390 4.350 -0.000 0.000 0.189 138 E C 1.094 177.668 176.600 -0.043 0.000 0.974 138 E CA 1.426 57.799 56.400 -0.045 0.000 0.806 138 E CB -0.026 29.650 29.700 -0.039 0.000 0.769 138 E HN 0.680 nan 8.360 nan 0.000 0.451 139 T N -0.458 114.070 114.554 -0.044 0.000 2.949 139 T HA 0.528 4.878 4.350 -0.000 0.000 0.287 139 T C -2.750 171.921 174.700 -0.049 0.000 1.034 139 T CA -2.304 59.769 62.100 -0.044 0.000 1.018 139 T CB 1.408 70.250 68.868 -0.043 0.000 1.135 139 T HN -0.290 nan 8.240 nan 0.000 0.532 140 P HA 0.269 nan 4.420 nan 0.000 0.262 140 P C 0.589 177.848 177.300 -0.068 0.000 1.182 140 P CA 0.122 63.187 63.100 -0.059 0.000 0.761 140 P CB -0.030 31.631 31.700 -0.064 0.000 0.795 141 G N 2.869 111.629 108.800 -0.066 0.000 2.653 141 G HA2 0.345 4.305 3.960 -0.000 0.000 0.265 141 G HA3 0.345 4.305 3.960 -0.000 0.000 0.265 141 G C -0.237 174.592 174.900 -0.118 0.000 1.237 141 G CA -0.740 44.317 45.100 -0.071 0.000 0.946 141 G HN 0.445 nan 8.290 nan 0.000 0.522 142 I N 0.557 121.042 120.570 -0.140 0.000 2.428 142 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 142 I C 0.225 176.117 176.117 -0.374 0.000 1.019 142 I CA -0.303 60.833 61.300 -0.273 0.000 1.351 142 I CB 1.031 38.871 38.000 -0.267 0.000 1.412 142 I HN 0.209 nan 8.210 nan 0.000 0.513 143 R N 6.356 126.550 120.500 -0.511 0.000 2.437 143 R HA 0.555 4.895 4.340 -0.000 0.000 0.310 143 R C -1.499 174.397 176.300 -0.673 0.000 0.955 143 R CA -0.779 55.036 56.100 -0.476 0.000 0.851 143 R CB 1.830 31.963 30.300 -0.279 0.000 1.161 143 R HN 0.477 nan 8.270 nan 0.000 0.446 144 Y N 0.505 120.417 120.300 -0.646 0.000 2.633 144 Y HA 0.343 4.893 4.550 0.000 0.000 0.339 144 Y C 0.318 175.959 175.900 -0.432 0.000 1.045 144 Y CA -0.945 56.805 58.100 -0.584 0.000 1.098 144 Y CB 2.066 40.087 38.460 -0.731 0.000 1.296 144 Y HN 0.456 nan 8.280 nan 0.000 0.494 145 Q N -0.433 119.370 119.800 0.005 0.000 2.456 145 Q HA 0.499 4.839 4.340 -0.000 0.000 0.284 145 Q C -2.120 173.944 176.000 0.106 0.000 1.061 145 Q CA -1.102 54.779 55.803 0.130 0.000 0.799 145 Q CB 1.975 30.756 28.738 0.071 0.000 1.445 145 Q HN 0.665 nan 8.270 nan 0.000 0.411 146 Y N 1.305 121.700 120.300 0.157 0.000 2.346 146 Y HA 0.183 4.733 4.550 -0.000 0.000 0.330 146 Y C 0.916 176.826 175.900 0.017 0.000 1.178 146 Y CA 0.269 58.415 58.100 0.077 0.000 1.331 146 Y CB 0.926 39.423 38.460 0.062 0.000 1.253 146 Y HN 0.722 nan 8.280 nan 0.000 0.529 147 N N 0.779 119.549 118.700 0.117 0.000 2.273 147 N HA 0.067 4.807 4.740 -0.000 0.000 0.192 147 N C -0.315 175.260 175.510 0.109 0.000 1.132 147 N CA 0.433 53.532 53.050 0.082 0.000 0.887 147 N CB 0.768 39.273 38.487 0.030 0.000 1.048 147 N HN 0.387 nan 8.380 nan 0.000 0.490 148 V N -1.771 118.238 119.914 0.158 0.000 3.204 148 V HA 0.548 4.668 4.120 -0.000 0.000 0.316 148 V C 0.166 176.382 176.094 0.203 0.000 1.160 148 V CA -1.164 61.246 62.300 0.184 0.000 1.044 148 V CB 1.150 33.088 31.823 0.192 0.000 1.136 148 V HN -0.142 nan 8.190 nan 0.000 0.455 149 L N 2.154 123.509 121.223 0.220 0.000 2.500 149 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 149 L C -2.245 174.747 176.870 0.203 0.000 1.149 149 L CA -1.210 53.712 54.840 0.136 0.000 0.897 149 L CB 0.095 42.194 42.059 0.067 0.000 1.178 149 L HN 0.468 nan 8.230 nan 0.000 0.473 150 P HA 0.068 nan 4.420 nan 0.000 0.271 150 P C -0.647 176.766 177.300 0.189 0.000 1.216 150 P CA -0.553 62.460 63.100 -0.145 0.000 0.776 150 P CB 0.567 31.812 31.700 -0.757 0.000 0.881 151 Q N 1.687 121.710 119.800 0.372 0.000 2.300 151 Q HA 0.325 4.664 4.340 -0.000 0.000 0.280 151 Q C 1.434 177.615 176.000 0.300 0.000 1.033 151 Q CA 2.027 58.024 55.803 0.325 0.000 0.903 151 Q CB -0.666 28.177 28.738 0.176 0.000 1.195 151 Q HN 0.785 nan 8.270 nan 0.000 0.386 152 G N 2.565 111.509 108.800 0.240 0.000 2.199 152 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 152 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 152 G C -0.399 174.614 174.900 0.189 0.000 0.982 152 G CA 0.083 45.322 45.100 0.231 0.000 0.632 152 G HN 0.673 nan 8.290 nan 0.000 0.529 153 W N 1.987 123.140 121.300 -0.247 0.000 2.218 153 W HA 0.587 5.247 4.660 -0.000 0.000 0.326 153 W C 1.380 177.718 176.519 -0.301 0.000 1.276 153 W CA -0.253 56.809 57.345 -0.472 0.000 1.210 153 W CB 0.810 29.797 29.460 -0.788 0.000 1.143 153 W HN 0.057 nan 8.180 nan 0.000 0.563 154 K N 2.582 122.392 120.400 -0.984 0.000 2.211 154 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 154 K C 1.656 177.491 176.600 -1.275 0.000 1.047 154 K CA 1.759 57.528 56.287 -0.864 0.000 0.935 154 K CB -0.475 31.680 32.500 -0.575 0.000 0.728 154 K HN 0.751 nan 8.250 nan 0.000 0.452 155 G N -0.668 106.712 108.800 -2.367 0.000 2.777 155 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.211 155 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.211 155 G C 1.235 175.363 174.900 -1.287 0.000 1.149 155 G CA 0.046 43.667 45.100 -2.465 0.000 0.785 155 G HN 0.205 nan 8.290 nan 0.000 0.536 156 S N 1.589 116.777 115.700 -0.852 0.000 2.355 156 S HA -0.047 4.423 4.470 -0.000 0.000 0.222 156 S C 0.044 174.267 174.600 -0.628 0.000 1.031 156 S CA 1.287 59.087 58.200 -0.666 0.000 0.993 156 S CB -0.595 62.030 63.200 -0.958 0.000 0.859 156 S HN 0.268 nan 8.310 nan 0.000 0.453 157 P HA -0.045 nan 4.420 nan 0.000 0.215 157 P C 1.365 178.599 177.300 -0.109 0.000 1.157 157 P CA 1.485 64.491 63.100 -0.156 0.000 0.868 157 P CB -0.105 31.518 31.700 -0.129 0.000 0.788 158 A N -0.931 121.734 122.820 -0.257 0.000 1.897 158 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 158 A C 2.229 179.744 177.584 -0.114 0.000 1.181 158 A CA 1.265 53.199 52.037 -0.171 0.000 0.620 158 A CB -1.522 17.339 19.000 -0.232 0.000 0.821 158 A HN 0.091 nan 8.150 nan 0.000 0.443 159 I N -1.761 118.690 120.570 -0.198 0.000 2.315 159 I HA -0.183 3.986 4.170 -0.000 0.000 0.248 159 I C 2.318 178.412 176.117 -0.038 0.000 1.117 159 I CA 1.240 62.490 61.300 -0.084 0.000 1.404 159 I CB -0.299 37.661 38.000 -0.067 0.000 1.071 159 I HN 0.446 nan 8.210 nan 0.000 0.419 160 F N 1.837 121.712 119.950 -0.125 0.000 2.069 160 F HA -0.312 4.215 4.527 -0.001 0.000 0.298 160 F C 2.598 178.384 175.800 -0.023 0.000 1.113 160 F CA 1.903 59.878 58.000 -0.041 0.000 1.214 160 F CB -0.294 38.718 39.000 0.021 0.000 0.978 160 F HN -0.040 nan 8.300 nan 0.000 0.474 161 Q N 0.306 120.109 119.800 0.006 0.000 2.124 161 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 161 Q C 2.587 178.495 176.000 -0.152 0.000 0.977 161 Q CA 2.101 57.864 55.803 -0.067 0.000 0.850 161 Q CB -0.500 28.273 28.738 0.058 0.000 0.901 161 Q HN 0.541 nan 8.270 nan 0.000 0.429 162 S N -1.581 114.058 115.700 -0.100 0.000 2.406 162 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 162 S C 1.995 176.511 174.600 -0.140 0.000 1.020 162 S CA 1.050 59.204 58.200 -0.077 0.000 0.965 162 S CB -0.233 62.959 63.200 -0.012 0.000 0.798 162 S HN 0.253 nan 8.310 nan 0.000 0.488 163 S N 1.835 117.414 115.700 -0.203 0.000 2.368 163 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 163 S C 1.812 176.229 174.600 -0.306 0.000 1.030 163 S CA 1.643 59.704 58.200 -0.232 0.000 0.999 163 S CB -0.530 62.530 63.200 -0.233 0.000 0.844 163 S HN 0.622 nan 8.310 nan 0.000 0.459 164 M N 1.942 121.287 119.600 -0.424 0.000 2.213 164 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 164 M C 1.828 177.991 176.300 -0.227 0.000 1.062 164 M CA 1.566 56.643 55.300 -0.372 0.000 1.105 164 M CB -1.109 31.214 32.600 -0.461 0.000 1.385 164 M HN 0.141 nan 8.290 nan 0.000 0.417 165 T N 0.030 114.476 114.554 -0.179 0.000 2.812 165 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 165 T C 1.828 176.459 174.700 -0.115 0.000 1.042 165 T CA 1.497 63.532 62.100 -0.107 0.000 1.140 165 T CB -0.118 68.713 68.868 -0.062 0.000 0.870 165 T HN 0.394 nan 8.240 nan 0.000 0.445 166 K N 0.644 120.954 120.400 -0.150 0.000 2.026 166 K HA 0.036 4.356 4.320 -0.000 0.000 0.208 166 K C 2.151 178.602 176.600 -0.248 0.000 1.048 166 K CA 1.159 57.344 56.287 -0.171 0.000 0.929 166 K CB -0.279 32.112 32.500 -0.180 0.000 0.713 166 K HN 0.287 nan 8.250 nan 0.000 0.439 167 I N 0.562 120.926 120.570 -0.343 0.000 2.226 167 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 167 I C 1.803 177.834 176.117 -0.143 0.000 1.100 167 I CA 0.764 61.781 61.300 -0.471 0.000 1.374 167 I CB -0.148 37.545 38.000 -0.512 0.000 1.057 167 I HN 0.133 nan 8.210 nan 0.000 0.413 168 L N 0.585 121.755 121.223 -0.088 0.000 2.201 168 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 168 L C 2.398 179.295 176.870 0.045 0.000 1.105 168 L CA 1.484 56.332 54.840 0.013 0.000 0.775 168 L CB -1.049 41.000 42.059 -0.016 0.000 0.913 168 L HN 0.295 nan 8.230 nan 0.000 0.440 169 E N 0.350 120.542 120.200 -0.014 0.000 2.086 169 E HA -0.252 4.097 4.350 -0.000 0.000 0.205 169 E C -0.612 175.990 176.600 0.004 0.000 1.027 169 E CA 2.171 58.566 56.400 -0.009 0.000 0.830 169 E CB -0.679 28.998 29.700 -0.038 0.000 0.751 169 E HN 0.335 nan 8.360 nan 0.000 0.456 170 P HA -0.138 nan 4.420 nan 0.000 0.217 170 P C 1.508 178.774 177.300 -0.056 0.000 1.151 170 P CA 1.041 64.129 63.100 -0.020 0.000 0.828 170 P CB -0.355 31.350 31.700 0.008 0.000 0.788 171 F N 1.623 121.432 119.950 -0.236 0.000 2.171 171 F HA -0.089 4.437 4.527 -0.002 0.000 0.300 171 F C 2.422 178.154 175.800 -0.115 0.000 1.090 171 F CA 1.396 59.250 58.000 -0.243 0.000 1.293 171 F CB -0.319 38.506 39.000 -0.292 0.000 1.013 171 F HN -0.290 nan 8.300 nan 0.000 0.486 172 R N 0.247 120.814 120.500 0.112 0.000 2.115 172 R HA -0.141 4.199 4.340 -0.000 0.000 0.226 172 R C 2.362 178.629 176.300 -0.056 0.000 1.100 172 R CA 1.271 57.399 56.100 0.046 0.000 0.980 172 R CB -0.395 29.955 30.300 0.083 0.000 0.875 172 R HN 0.298 nan 8.270 nan 0.000 0.445 173 K N 1.263 121.628 120.400 -0.058 0.000 2.026 173 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 173 K C 1.743 178.279 176.600 -0.106 0.000 1.048 173 K CA 1.592 57.841 56.287 -0.064 0.000 0.929 173 K CB 0.115 32.588 32.500 -0.045 0.000 0.713 173 K HN 0.151 nan 8.250 nan 0.000 0.439 174 Q N -0.138 119.559 119.800 -0.171 0.000 2.389 174 Q HA 0.060 4.400 4.340 -0.000 0.000 0.204 174 Q C -0.082 175.760 176.000 -0.262 0.000 0.944 174 Q CA 0.520 56.202 55.803 -0.202 0.000 0.908 174 Q CB 0.437 29.039 28.738 -0.226 0.000 1.002 174 Q HN 0.260 nan 8.270 nan 0.000 0.493 175 N N 0.970 119.467 118.700 -0.338 0.000 2.886 175 N HA 0.124 4.864 4.740 -0.000 0.000 0.285 175 N C -2.258 173.158 175.510 -0.157 0.000 1.706 175 N CA -0.908 51.948 53.050 -0.322 0.000 0.904 175 N CB 1.212 39.330 38.487 -0.615 0.000 1.224 175 N HN 0.111 nan 8.380 nan 0.000 0.488 176 P HA -0.125 nan 4.420 nan 0.000 0.220 176 P C 0.593 177.880 177.300 -0.021 0.000 1.148 176 P CA 1.347 64.419 63.100 -0.047 0.000 0.803 176 P CB 0.206 31.883 31.700 -0.039 0.000 0.782 177 D N -1.008 119.377 120.400 -0.024 0.000 2.325 177 D HA 0.026 4.666 4.640 -0.000 0.000 0.234 177 D C 0.331 176.646 176.300 0.026 0.000 1.122 177 D CA -0.081 53.920 54.000 0.002 0.000 0.850 177 D CB -0.160 40.640 40.800 -0.001 0.000 0.921 177 D HN 0.108 nan 8.370 nan 0.000 0.513 178 I N 1.687 122.274 120.570 0.027 0.000 2.474 178 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 178 I C 0.139 176.314 176.117 0.097 0.000 1.005 178 I CA -1.333 60.017 61.300 0.083 0.000 1.113 178 I CB 1.773 39.843 38.000 0.117 0.000 1.289 178 I HN -0.144 nan 8.210 nan 0.000 0.436 179 V N 4.740 124.719 119.914 0.109 0.000 2.628 179 V HA 0.706 4.826 4.120 -0.000 0.000 0.306 179 V C -0.466 175.701 176.094 0.122 0.000 1.045 179 V CA -0.666 61.695 62.300 0.102 0.000 0.905 179 V CB 2.350 34.216 31.823 0.072 0.000 0.997 179 V HN 0.503 nan 8.190 nan 0.000 0.436 180 I N 4.385 125.028 120.570 0.122 0.000 2.468 180 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 180 I C -1.419 174.791 176.117 0.155 0.000 1.039 180 I CA -0.601 60.769 61.300 0.118 0.000 1.074 180 I CB 1.942 39.990 38.000 0.080 0.000 1.228 180 I HN 0.788 nan 8.210 nan 0.000 0.436 181 Y N 6.376 126.700 120.300 0.039 0.000 2.341 181 Y HA 0.378 4.928 4.550 -0.001 0.000 0.340 181 Y C -0.252 175.713 175.900 0.108 0.000 0.997 181 Y CA -0.614 57.506 58.100 0.035 0.000 1.149 181 Y CB 0.856 39.273 38.460 -0.073 0.000 1.171 181 Y HN 0.493 nan 8.280 nan 0.000 0.494 182 Q N 5.988 125.495 119.800 -0.489 0.000 2.296 182 Q HA 0.230 4.570 4.340 -0.000 0.000 0.257 182 Q C -1.762 173.873 176.000 -0.608 0.000 0.942 182 Q CA -0.386 55.182 55.803 -0.391 0.000 0.939 182 Q CB 1.388 30.035 28.738 -0.152 0.000 1.198 182 Q HN 0.700 nan 8.270 nan 0.000 0.429 183 Y N 4.863 124.901 120.300 -0.437 0.000 2.322 183 Y HA 0.248 4.799 4.550 0.000 0.000 0.324 183 Y C 0.076 175.993 175.900 0.029 0.000 1.027 183 Y CA -0.482 57.529 58.100 -0.149 0.000 1.179 183 Y CB 0.466 38.995 38.460 0.116 0.000 1.136 183 Y HN 0.826 nan 8.280 nan 0.000 0.449 184 M N 1.416 120.787 119.600 -0.382 0.000 7.319 184 M HA -0.366 4.114 4.480 -0.000 0.000 0.312 184 M C 0.220 176.442 176.300 -0.130 0.000 0.480 184 M CA 2.358 57.454 55.300 -0.339 0.000 1.311 184 M CB -1.110 31.144 32.600 -0.576 0.000 0.421 184 M HN 0.746 nan 8.290 nan 0.000 0.740 185 D N 0.417 120.698 120.400 -0.199 0.000 2.463 185 D HA 0.319 4.959 4.640 -0.000 0.000 0.224 185 D C -0.441 175.822 176.300 -0.063 0.000 1.174 185 D CA -0.025 53.889 54.000 -0.143 0.000 0.829 185 D CB -0.067 40.531 40.800 -0.337 0.000 0.993 185 D HN 0.252 nan 8.370 nan 0.000 0.497 186 D N 0.161 120.538 120.400 -0.039 0.000 2.326 186 D HA 0.479 5.118 4.640 -0.000 0.000 0.251 186 D C -0.721 175.502 176.300 -0.129 0.000 1.023 186 D CA -0.536 53.404 54.000 -0.102 0.000 0.966 186 D CB 2.021 42.767 40.800 -0.089 0.000 1.156 186 D HN -0.052 nan 8.370 nan 0.000 0.494 187 L N 1.797 122.863 121.223 -0.263 0.000 2.491 187 L HA 0.276 4.616 4.340 -0.000 0.000 0.267 187 L C -1.481 175.197 176.870 -0.319 0.000 0.971 187 L CA -0.532 54.189 54.840 -0.198 0.000 0.857 187 L CB 1.102 43.080 42.059 -0.134 0.000 1.226 187 L HN 0.273 nan 8.230 nan 0.000 0.408 188 Y N 3.309 123.540 120.300 -0.115 0.000 2.330 188 Y HA 0.658 5.207 4.550 -0.002 0.000 0.336 188 Y C 0.021 175.895 175.900 -0.043 0.000 1.036 188 Y CA -0.660 57.361 58.100 -0.132 0.000 1.125 188 Y CB 1.744 40.102 38.460 -0.171 0.000 1.194 188 Y HN 0.210 nan 8.280 nan 0.000 0.469 189 V N 3.204 123.186 119.914 0.113 0.000 2.483 189 V HA 0.784 4.904 4.120 -0.000 0.000 0.297 189 V C 0.070 176.292 176.094 0.214 0.000 1.027 189 V CA -0.719 61.657 62.300 0.126 0.000 0.855 189 V CB 1.473 33.331 31.823 0.058 0.000 0.995 189 V HN 0.920 nan 8.190 nan 0.000 0.424 190 G N 2.642 111.558 108.800 0.193 0.000 2.519 190 G HA2 0.863 4.823 3.960 -0.000 0.000 0.307 190 G HA3 0.863 4.823 3.960 -0.000 0.000 0.307 190 G C -0.721 174.288 174.900 0.182 0.000 1.266 190 G CA -0.105 45.106 45.100 0.185 0.000 0.970 190 G HN 1.083 nan 8.290 nan 0.000 0.481 191 S N -0.811 114.976 115.700 0.145 0.000 2.636 191 S HA 0.481 4.951 4.470 -0.000 0.000 0.268 191 S C -1.186 173.441 174.600 0.047 0.000 1.159 191 S CA -0.673 57.604 58.200 0.128 0.000 0.815 191 S CB 1.996 65.344 63.200 0.248 0.000 1.130 191 S HN 0.300 nan 8.310 nan 0.000 0.471 192 D N 0.608 121.035 120.400 0.044 0.000 2.440 192 D HA 0.347 4.987 4.640 -0.000 0.000 0.216 192 D C 0.317 176.632 176.300 0.025 0.000 1.150 192 D CA -0.006 54.004 54.000 0.015 0.000 0.832 192 D CB 0.099 40.905 40.800 0.010 0.000 0.992 192 D HN 0.455 nan 8.370 nan 0.000 0.502 193 L N 1.160 122.419 121.223 0.060 0.000 2.476 193 L HA 0.111 4.451 4.340 -0.000 0.000 0.264 193 L C 0.743 177.645 176.870 0.053 0.000 1.224 193 L CA -0.473 54.409 54.840 0.070 0.000 0.821 193 L CB 0.313 42.444 42.059 0.120 0.000 1.101 193 L HN -0.164 nan 8.230 nan 0.000 0.488 194 E N 0.322 120.552 120.200 0.051 0.000 2.349 194 E HA 0.197 4.547 4.350 -0.000 0.000 0.262 194 E C 0.943 177.585 176.600 0.071 0.000 1.088 194 E CA -0.514 55.909 56.400 0.039 0.000 0.899 194 E CB 0.667 30.385 29.700 0.030 0.000 1.044 194 E HN 0.364 nan 8.360 nan 0.000 0.420 195 I N 0.972 121.574 120.570 0.053 0.000 2.121 195 I HA -0.369 3.801 4.170 -0.000 0.000 0.243 195 I C 2.029 178.220 176.117 0.123 0.000 1.047 195 I CA 2.217 63.567 61.300 0.084 0.000 1.308 195 I CB -0.670 37.362 38.000 0.054 0.000 1.015 195 I HN 0.796 nan 8.210 nan 0.000 0.410 196 G N -0.336 108.514 108.800 0.083 0.000 2.421 196 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 196 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 196 G C 1.487 176.435 174.900 0.080 0.000 1.171 196 G CA 0.405 45.548 45.100 0.072 0.000 0.775 196 G HN 0.466 nan 8.290 nan 0.000 0.543 197 Q N -0.815 119.035 119.800 0.083 0.000 2.364 197 Q HA -0.068 4.272 4.340 -0.000 0.000 0.207 197 Q C 2.113 178.174 176.000 0.102 0.000 0.970 197 Q CA 1.126 56.974 55.803 0.075 0.000 0.888 197 Q CB -0.053 28.723 28.738 0.063 0.000 0.951 197 Q HN 0.776 nan 8.270 nan 0.000 0.469 198 H N 0.750 119.846 119.070 0.044 0.000 2.355 198 H HA 0.095 4.653 4.556 0.003 0.000 0.303 198 H C 1.819 177.184 175.328 0.062 0.000 1.061 198 H CA 1.092 57.173 56.048 0.056 0.000 1.368 198 H CB 0.321 30.114 29.762 0.053 0.000 1.412 198 H HN -0.050 nan 8.280 nan 0.000 0.523 199 R N -0.524 120.035 120.500 0.100 0.000 2.193 199 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 199 R C 1.749 178.051 176.300 0.002 0.000 1.110 199 R CA 1.550 57.673 56.100 0.039 0.000 0.988 199 R CB -0.002 30.351 30.300 0.089 0.000 0.871 199 R HN 0.370 nan 8.270 nan 0.000 0.458 200 T N 0.513 115.077 114.554 0.017 0.000 2.937 200 T HA -0.003 4.346 4.350 -0.000 0.000 0.260 200 T C 1.632 176.346 174.700 0.023 0.000 1.051 200 T CA 0.634 62.748 62.100 0.024 0.000 1.141 200 T CB 0.116 69.004 68.868 0.034 0.000 0.879 200 T HN 0.018 nan 8.240 nan 0.000 0.459 201 K N 1.144 121.546 120.400 0.004 0.000 2.148 201 K HA 0.103 4.423 4.320 -0.000 0.000 0.204 201 K C 2.102 178.733 176.600 0.053 0.000 1.050 201 K CA 0.571 56.889 56.287 0.052 0.000 0.942 201 K CB -0.382 32.140 32.500 0.037 0.000 0.724 201 K HN 0.304 nan 8.250 nan 0.000 0.446 202 I N 1.557 122.075 120.570 -0.086 0.000 2.315 202 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 202 I C 1.934 178.031 176.117 -0.033 0.000 1.117 202 I CA 1.229 62.472 61.300 -0.095 0.000 1.404 202 I CB -0.746 37.171 38.000 -0.139 0.000 1.071 202 I HN 0.126 nan 8.210 nan 0.000 0.419 203 E N 0.485 120.685 120.200 0.000 0.000 2.072 203 E HA -0.204 4.146 4.350 -0.000 0.000 0.190 203 E C 2.009 178.640 176.600 0.052 0.000 0.982 203 E CA 0.691 57.104 56.400 0.022 0.000 0.803 203 E CB -0.235 29.482 29.700 0.029 0.000 0.755 203 E HN 0.524 nan 8.360 nan 0.000 0.453 204 E N 0.623 120.879 120.200 0.094 0.000 2.118 204 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 204 E C 2.040 178.750 176.600 0.182 0.000 0.992 204 E CA 0.572 57.073 56.400 0.168 0.000 0.804 204 E CB 0.034 29.872 29.700 0.229 0.000 0.741 204 E HN 0.121 nan 8.360 nan 0.000 0.458 205 L N 0.926 122.177 121.223 0.048 0.000 2.072 205 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 205 L C 2.334 179.112 176.870 -0.153 0.000 1.079 205 L CA 1.437 56.066 54.840 -0.352 0.000 0.752 205 L CB -0.491 41.206 42.059 -0.603 0.000 0.906 205 L HN 0.159 nan 8.230 nan 0.000 0.436 206 R N -0.712 119.747 120.500 -0.068 0.000 2.091 206 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 206 R C 2.186 178.497 176.300 0.018 0.000 1.136 206 R CA 1.194 57.278 56.100 -0.027 0.000 0.959 206 R CB -0.213 30.081 30.300 -0.009 0.000 0.856 206 R HN 0.478 nan 8.270 nan 0.000 0.437 207 Q N -0.234 119.599 119.800 0.053 0.000 2.079 207 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 207 Q C 2.079 178.149 176.000 0.116 0.000 0.974 207 Q CA 1.339 57.187 55.803 0.075 0.000 0.840 207 Q CB -0.360 28.431 28.738 0.089 0.000 0.898 207 Q HN 0.567 nan 8.270 nan 0.000 0.430 208 H N -0.116 119.000 119.070 0.076 0.000 2.387 208 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 208 H C 1.813 177.256 175.328 0.193 0.000 1.090 208 H CA 0.944 57.087 56.048 0.158 0.000 1.332 208 H CB 0.374 30.230 29.762 0.158 0.000 1.386 208 H HN 0.096 nan 8.280 nan 0.000 0.516 209 L N 0.720 121.959 121.223 0.026 0.000 2.046 209 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 209 L C 2.647 179.535 176.870 0.031 0.000 1.077 209 L CA 0.949 55.782 54.840 -0.011 0.000 0.747 209 L CB -1.035 41.008 42.059 -0.026 0.000 0.896 209 L HN 0.289 nan 8.230 nan 0.000 0.432 210 L N -0.465 120.771 121.223 0.022 0.000 2.056 210 L HA -0.123 4.216 4.340 -0.000 0.000 0.207 210 L C 2.538 179.395 176.870 -0.022 0.000 1.078 210 L CA 1.495 56.342 54.840 0.013 0.000 0.749 210 L CB -0.588 41.476 42.059 0.010 0.000 0.901 210 L HN 0.187 nan 8.230 nan 0.000 0.433 211 R N -1.919 118.544 120.500 -0.062 0.000 2.303 211 R HA -0.190 4.150 4.340 -0.000 0.000 0.225 211 R C 0.920 176.984 176.300 -0.393 0.000 1.114 211 R CA 1.559 57.529 56.100 -0.216 0.000 1.007 211 R CB -0.369 29.785 30.300 -0.243 0.000 0.861 211 R HN 0.463 nan 8.270 nan 0.000 0.471 212 W N -1.079 120.140 121.300 -0.136 0.000 2.862 212 W HA 0.274 4.934 4.660 -0.001 0.000 0.376 212 W C 0.947 177.426 176.519 -0.067 0.000 1.028 212 W CA 0.323 57.594 57.345 -0.124 0.000 1.757 212 W CB 1.241 30.575 29.460 -0.210 0.000 1.128 212 W HN 0.201 nan 8.180 nan 0.000 0.566 213 G N 0.180 109.045 108.800 0.109 0.000 2.179 213 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 213 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 213 G C -0.535 174.425 174.900 0.100 0.000 0.990 213 G CA -0.486 44.672 45.100 0.096 0.000 0.646 213 G HN -0.029 nan 8.290 nan 0.000 0.517 214 L N 2.878 124.158 121.223 0.094 0.000 2.276 214 L HA 0.582 4.922 4.340 -0.000 0.000 0.286 214 L C 1.101 178.002 176.870 0.052 0.000 1.024 214 L CA -0.374 54.516 54.840 0.083 0.000 0.826 214 L CB 0.831 42.933 42.059 0.072 0.000 1.211 214 L HN 0.392 nan 8.230 nan 0.000 0.422 215 T N -0.192 114.391 114.554 0.048 0.000 2.910 215 T HA 0.766 5.116 4.350 -0.000 0.000 0.293 215 T C 0.275 174.986 174.700 0.018 0.000 1.015 215 T CA -0.467 61.650 62.100 0.029 0.000 1.094 215 T CB 1.258 70.141 68.868 0.025 0.000 0.968 215 T HN 0.647 nan 8.240 nan 0.000 0.521 216 T N -0.417 114.143 114.554 0.010 0.000 2.883 216 T HA 0.705 5.054 4.350 -0.000 0.000 0.301 216 T C -3.094 171.615 174.700 0.015 0.000 1.158 216 T CA -1.644 60.457 62.100 0.002 0.000 1.007 216 T CB 1.329 70.190 68.868 -0.012 0.000 1.186 216 T HN 0.608 nan 8.240 nan 0.000 0.499 217 P HA 0.283 nan 4.420 nan 0.000 0.274 217 P C -0.808 176.542 177.300 0.082 0.000 1.237 217 P CA -0.211 62.929 63.100 0.068 0.000 0.793 217 P CB 0.656 32.404 31.700 0.080 0.000 0.977 218 D N 0.893 121.375 120.400 0.136 0.000 2.437 218 D HA 0.076 4.716 4.640 -0.000 0.000 0.259 218 D C 0.863 177.192 176.300 0.048 0.000 1.118 218 D CA -0.615 53.436 54.000 0.085 0.000 1.017 218 D CB 1.216 42.071 40.800 0.091 0.000 1.120 218 D HN 0.067 nan 8.370 nan 0.000 0.541 219 K N 0.465 120.875 120.400 0.018 0.000 2.228 219 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 219 K C 1.722 178.298 176.600 -0.040 0.000 1.045 219 K CA 1.285 57.576 56.287 0.007 0.000 0.931 219 K CB -0.295 32.210 32.500 0.009 0.000 0.727 219 K HN 0.554 nan 8.250 nan 0.000 0.458 220 K N -0.752 119.567 120.400 -0.134 0.000 2.296 220 K HA -0.104 4.216 4.320 -0.000 0.000 0.200 220 K C 0.825 177.191 176.600 -0.390 0.000 1.048 220 K CA 1.160 57.266 56.287 -0.302 0.000 0.966 220 K CB 0.075 32.292 32.500 -0.473 0.000 0.754 220 K HN 0.306 nan 8.250 nan 0.000 0.466 221 H N -0.807 118.279 119.070 0.027 0.000 2.893 221 H HA 0.187 4.743 4.556 0.001 0.000 0.270 221 H C -0.439 174.907 175.328 0.030 0.000 1.095 221 H CA -0.457 55.606 56.048 0.025 0.000 1.186 221 H CB 0.711 30.483 29.762 0.017 0.000 1.562 221 H HN 0.091 nan 8.280 nan 0.000 0.536 222 Q N 1.937 121.801 119.800 0.107 0.000 2.297 222 Q HA 0.108 4.448 4.340 -0.000 0.000 0.267 222 Q C -0.216 175.851 176.000 0.112 0.000 1.006 222 Q CA 0.040 55.900 55.803 0.094 0.000 0.896 222 Q CB 1.110 29.897 28.738 0.081 0.000 1.186 222 Q HN 0.272 nan 8.270 nan 0.000 0.392 223 K N 2.054 122.531 120.400 0.129 0.000 2.380 223 K HA 0.040 4.360 4.320 -0.000 0.000 0.267 223 K C -0.031 176.709 176.600 0.234 0.000 0.990 223 K CA 0.169 56.558 56.287 0.169 0.000 0.946 223 K CB 0.492 33.107 32.500 0.192 0.000 0.937 223 K HN 0.418 nan 8.250 nan 0.000 0.491 224 E N 1.724 122.024 120.200 0.167 0.000 2.263 224 E HA 0.332 4.682 4.350 -0.000 0.000 0.264 224 E C -2.386 174.149 176.600 -0.109 0.000 0.923 224 E CA -2.341 54.106 56.400 0.078 0.000 0.802 224 E CB 1.115 30.831 29.700 0.025 0.000 1.228 224 E HN 0.335 nan 8.360 nan 0.000 0.417 225 P HA 0.094 nan 4.420 nan 0.000 0.268 225 P C -2.297 174.803 177.300 -0.333 0.000 1.208 225 P CA -0.725 61.933 63.100 -0.736 0.000 0.777 225 P CB -0.425 30.867 31.700 -0.680 0.000 0.875 226 P HA 0.166 nan 4.420 nan 0.000 0.275 226 P C -0.894 176.261 177.300 -0.242 0.000 1.227 226 P CA 0.015 62.819 63.100 -0.493 0.000 0.781 226 P CB 0.279 31.577 31.700 -0.671 0.000 0.906 227 F N 1.742 121.714 119.950 0.036 0.000 2.427 227 F HA 0.269 4.797 4.527 0.001 0.000 0.352 227 F C 0.864 176.781 175.800 0.195 0.000 1.100 227 F CA -0.445 57.648 58.000 0.156 0.000 1.191 227 F CB 0.197 39.316 39.000 0.198 0.000 1.128 227 F HN 0.036 nan 8.300 nan 0.000 0.533 228 L N 3.493 124.976 121.223 0.433 0.000 2.272 228 L HA 0.401 4.741 4.340 -0.000 0.000 0.289 228 L C -1.189 175.946 176.870 0.442 0.000 1.032 228 L CA -0.561 54.494 54.840 0.358 0.000 0.810 228 L CB 1.200 43.404 42.059 0.242 0.000 1.205 228 L HN 0.744 nan 8.230 nan 0.000 0.422 229 W N 6.436 127.852 121.300 0.194 0.000 3.615 229 W HA 0.361 5.022 4.660 0.001 0.000 0.319 229 W C -0.247 176.358 176.519 0.143 0.000 1.172 229 W CA -0.725 56.696 57.345 0.127 0.000 1.240 229 W CB 1.192 30.672 29.460 0.034 0.000 1.313 229 W HN 0.375 nan 8.180 nan 0.000 0.487 230 M N 5.219 124.367 119.600 -0.754 0.000 2.333 230 M HA -0.216 4.264 4.480 -0.000 0.000 0.199 230 M C 1.189 177.186 176.300 -0.504 0.000 0.376 230 M CA 2.112 56.922 55.300 -0.816 0.000 0.440 230 M CB -2.103 29.575 32.600 -1.537 0.000 1.506 230 M HN 1.594 nan 8.290 nan 0.000 0.889 231 G N -2.010 106.605 108.800 -0.308 0.000 2.176 231 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 231 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 231 G C -0.243 174.694 174.900 0.063 0.000 0.979 231 G CA 0.406 45.352 45.100 -0.258 0.000 0.641 231 G HN 0.556 nan 8.290 nan 0.000 0.530 232 Y N 0.087 120.577 120.300 0.317 0.000 2.534 232 Y HA 0.702 5.253 4.550 0.001 0.000 0.329 232 Y C 0.556 176.666 175.900 0.351 0.000 1.154 232 Y CA -1.004 57.329 58.100 0.389 0.000 1.192 232 Y CB 1.291 39.966 38.460 0.357 0.000 1.275 232 Y HN 0.128 nan 8.280 nan 0.000 0.491 233 E N 1.645 122.185 120.200 0.568 0.000 2.182 233 E HA 0.426 4.776 4.350 -0.000 0.000 0.258 233 E C -2.052 174.802 176.600 0.422 0.000 0.879 233 E CA -0.710 55.930 56.400 0.401 0.000 0.754 233 E CB 0.719 30.630 29.700 0.353 0.000 1.162 233 E HN 0.403 nan 8.360 nan 0.000 0.419 234 L N 5.579 126.976 121.223 0.290 0.000 2.294 234 L HA 0.373 4.713 4.340 -0.000 0.000 0.283 234 L C -0.140 176.805 176.870 0.124 0.000 1.015 234 L CA -0.502 54.544 54.840 0.343 0.000 0.831 234 L CB 0.739 43.013 42.059 0.358 0.000 1.217 234 L HN 0.612 nan 8.230 nan 0.000 0.420 235 H N 4.188 123.398 119.070 0.234 0.000 2.615 235 H HA 0.370 4.925 4.556 -0.002 0.000 0.346 235 H C -1.522 173.930 175.328 0.207 0.000 1.200 235 H CA -1.684 54.432 56.048 0.114 0.000 1.264 235 H CB 1.334 31.130 29.762 0.057 0.000 1.699 235 H HN 0.309 nan 8.280 nan 0.000 0.567 236 P HA -0.129 nan 4.420 nan 0.000 0.218 236 P C 0.322 177.788 177.300 0.277 0.000 1.148 236 P CA 1.491 64.692 63.100 0.169 0.000 0.822 236 P CB 0.472 32.215 31.700 0.072 0.000 0.784 237 D N -1.185 119.397 120.400 0.303 0.000 2.520 237 D HA 0.105 4.745 4.640 -0.000 0.000 0.223 237 D C 0.742 177.146 176.300 0.174 0.000 1.186 237 D CA 0.247 54.421 54.000 0.289 0.000 0.821 237 D CB 1.151 42.018 40.800 0.112 0.000 1.072 237 D HN 0.429 nan 8.370 nan 0.000 0.518 238 K N -0.056 120.413 120.400 0.115 0.000 2.578 238 K HA 0.511 4.831 4.320 -0.000 0.000 0.287 238 K C -1.406 175.177 176.600 -0.028 0.000 1.010 238 K CA -1.138 55.041 56.287 -0.180 0.000 0.889 238 K CB 2.021 34.316 32.500 -0.341 0.000 1.514 238 K HN -0.029 nan 8.250 nan 0.000 0.424 239 W N 0.264 121.447 121.300 -0.195 0.000 3.107 239 W HA 0.676 5.335 4.660 -0.003 0.000 0.331 239 W C -1.810 174.751 176.519 0.071 0.000 1.204 239 W CA -0.838 56.512 57.345 0.009 0.000 1.184 239 W CB 1.560 30.964 29.460 -0.093 0.000 1.421 239 W HN 0.787 nan 8.180 nan 0.000 0.544 240 T N 0.499 115.233 114.554 0.299 0.000 2.754 240 T HA 0.549 4.899 4.350 -0.000 0.000 0.296 240 T C -0.589 174.431 174.700 0.533 0.000 1.205 240 T CA -0.210 61.940 62.100 0.084 0.000 1.009 240 T CB 1.159 70.051 68.868 0.040 0.000 1.368 240 T HN 0.835 nan 8.240 nan 0.000 0.509 241 V N 0.912 121.079 119.914 0.422 0.000 2.953 241 V HA 0.557 4.677 4.120 -0.000 0.000 0.304 241 V C 0.464 176.798 176.094 0.401 0.000 1.073 241 V CA -0.676 61.907 62.300 0.472 0.000 1.064 241 V CB 0.335 32.358 31.823 0.332 0.000 1.047 241 V HN 0.953 nan 8.190 nan 0.000 0.478 242 Q N 1.834 121.862 119.800 0.380 0.000 2.454 242 Q HA 0.272 4.612 4.340 -0.000 0.000 0.247 242 Q C -2.248 173.882 176.000 0.216 0.000 1.028 242 Q CA -1.277 54.684 55.803 0.262 0.000 0.910 242 Q CB 0.162 29.010 28.738 0.183 0.000 1.276 242 Q HN 0.640 nan 8.270 nan 0.000 0.489 243 P HA -0.018 nan 4.420 nan 0.000 0.264 243 P C -0.968 176.389 177.300 0.093 0.000 1.183 243 P CA 0.853 64.028 63.100 0.125 0.000 0.763 243 P CB 0.328 32.087 31.700 0.099 0.000 0.807 244 I N 3.022 123.632 120.570 0.068 0.000 2.410 244 I HA 0.283 4.452 4.170 -0.000 0.000 0.286 244 I C -0.404 175.718 176.117 0.009 0.000 1.009 244 I CA -0.903 60.419 61.300 0.037 0.000 1.111 244 I CB 2.077 40.090 38.000 0.022 0.000 1.262 244 I HN 0.048 nan 8.210 nan 0.000 0.443 245 V N 8.038 127.963 119.914 0.019 0.000 2.384 245 V HA 0.462 4.582 4.120 -0.000 0.000 0.287 245 V C -0.217 175.897 176.094 0.034 0.000 1.020 245 V CA -0.510 61.801 62.300 0.018 0.000 0.850 245 V CB 1.662 33.497 31.823 0.021 0.000 0.987 245 V HN 0.482 nan 8.190 nan 0.000 0.436 246 L N 9.854 131.101 121.223 0.039 0.000 2.283 246 L HA 0.427 4.767 4.340 -0.000 0.000 0.287 246 L C -1.784 175.161 176.870 0.126 0.000 1.073 246 L CA -1.611 53.283 54.840 0.090 0.000 0.822 246 L CB 0.917 43.017 42.059 0.068 0.000 1.186 246 L HN 0.512 nan 8.230 nan 0.000 0.436 247 P HA 0.016 nan 4.420 nan 0.000 0.267 247 P C -0.539 176.793 177.300 0.054 0.000 1.200 247 P CA -0.226 62.908 63.100 0.057 0.000 0.772 247 P CB 0.780 32.468 31.700 -0.020 0.000 0.855 248 E N 2.574 122.759 120.200 -0.026 0.000 2.259 248 E HA 0.231 4.581 4.350 -0.000 0.000 0.281 248 E C 0.070 176.542 176.600 -0.213 0.000 1.037 248 E CA 0.046 56.417 56.400 -0.048 0.000 0.854 248 E CB 0.666 30.347 29.700 -0.033 0.000 1.051 248 E HN 0.286 nan 8.360 nan 0.000 0.409 249 K N 2.647 122.856 120.400 -0.317 0.000 2.513 249 K HA 0.202 4.522 4.320 -0.000 0.000 0.251 249 K C -0.181 176.210 176.600 -0.350 0.000 0.939 249 K CA -0.649 55.295 56.287 -0.572 0.000 0.793 249 K CB 1.927 33.562 32.500 -1.443 0.000 1.241 249 K HN 0.148 nan 8.250 nan 0.000 0.431 250 D N 0.665 120.923 120.400 -0.238 0.000 2.178 250 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 250 D C 0.355 176.590 176.300 -0.107 0.000 0.974 250 D CA 1.303 55.234 54.000 -0.115 0.000 0.841 250 D CB 0.384 41.134 40.800 -0.083 0.000 0.953 250 D HN 0.543 nan 8.370 nan 0.000 0.478 251 S N -1.159 114.404 115.700 -0.229 0.000 2.548 251 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 251 S C -1.395 173.046 174.600 -0.265 0.000 1.129 251 S CA -1.071 57.055 58.200 -0.125 0.000 0.931 251 S CB 1.009 64.179 63.200 -0.050 0.000 1.068 251 S HN 0.069 nan 8.310 nan 0.000 0.480 252 W N 2.160 123.454 121.300 -0.010 0.000 2.429 252 W HA 0.548 5.207 4.660 -0.001 0.000 0.314 252 W C 0.742 177.255 176.519 -0.010 0.000 1.062 252 W CA -0.409 56.929 57.345 -0.011 0.000 1.211 252 W CB 1.671 31.124 29.460 -0.011 0.000 1.305 252 W HN 0.838 nan 8.180 nan 0.000 0.476 253 T N -1.310 113.348 114.554 0.173 0.000 2.899 253 T HA 0.206 4.556 4.350 -0.000 0.000 0.284 253 T C 1.009 175.788 174.700 0.130 0.000 1.004 253 T CA -0.780 61.388 62.100 0.112 0.000 1.043 253 T CB 1.359 70.259 68.868 0.052 0.000 1.013 253 T HN 0.249 nan 8.240 nan 0.000 0.518 254 V N 1.962 121.925 119.914 0.081 0.000 2.277 254 V HA -0.299 3.821 4.120 -0.000 0.000 0.253 254 V C 2.894 179.026 176.094 0.064 0.000 1.067 254 V CA 2.567 64.903 62.300 0.060 0.000 1.047 254 V CB -1.125 30.719 31.823 0.035 0.000 0.649 254 V HN 1.072 nan 8.190 nan 0.000 0.447 255 N N -0.362 118.372 118.700 0.057 0.000 2.166 255 N HA -0.212 4.528 4.740 -0.000 0.000 0.186 255 N C 1.497 177.056 175.510 0.081 0.000 1.019 255 N CA 1.695 54.776 53.050 0.050 0.000 0.856 255 N CB -0.095 38.410 38.487 0.030 0.000 0.993 255 N HN 0.524 nan 8.380 nan 0.000 0.426 256 D N 0.819 121.298 120.400 0.132 0.000 2.144 256 D HA -0.062 4.577 4.640 -0.000 0.000 0.200 256 D C 2.038 178.510 176.300 0.287 0.000 0.978 256 D CA 0.638 54.777 54.000 0.230 0.000 0.833 256 D CB -0.082 40.901 40.800 0.304 0.000 0.961 256 D HN 0.441 nan 8.370 nan 0.000 0.470 257 I N 0.828 121.527 120.570 0.214 0.000 2.353 257 I HA -0.214 3.955 4.170 -0.000 0.000 0.248 257 I C 2.438 178.568 176.117 0.022 0.000 1.119 257 I CA 0.756 62.095 61.300 0.065 0.000 1.417 257 I CB -0.142 37.864 38.000 0.009 0.000 1.078 257 I HN -0.075 nan 8.210 nan 0.000 0.421 258 Q N 0.859 120.682 119.800 0.039 0.000 2.084 258 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 258 Q C 2.180 178.193 176.000 0.022 0.000 0.978 258 Q CA 1.525 57.340 55.803 0.020 0.000 0.844 258 Q CB -0.084 28.666 28.738 0.019 0.000 0.898 258 Q HN 0.439 nan 8.270 nan 0.000 0.426 259 K N 0.516 120.941 120.400 0.042 0.000 2.097 259 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 259 K C 2.066 178.691 176.600 0.042 0.000 1.050 259 K CA 0.634 56.943 56.287 0.037 0.000 0.938 259 K CB -0.100 32.429 32.500 0.048 0.000 0.718 259 K HN 0.155 nan 8.250 nan 0.000 0.442 260 L N 0.995 122.252 121.223 0.058 0.000 1.989 260 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 260 L C 2.064 178.927 176.870 -0.011 0.000 1.071 260 L CA 1.620 56.474 54.840 0.023 0.000 0.749 260 L CB -0.302 41.726 42.059 -0.052 0.000 0.890 260 L HN 0.037 nan 8.230 nan 0.000 0.431 261 V N 0.131 120.031 119.914 -0.023 0.000 2.392 261 V HA -0.226 3.893 4.120 -0.000 0.000 0.249 261 V C 2.684 178.789 176.094 0.019 0.000 1.059 261 V CA 1.753 64.043 62.300 -0.017 0.000 1.051 261 V CB -1.317 30.493 31.823 -0.022 0.000 0.658 261 V HN 0.654 nan 8.190 nan 0.000 0.455 262 G N -0.191 108.624 108.800 0.024 0.000 2.433 262 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 262 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 262 G C 1.662 176.612 174.900 0.083 0.000 1.186 262 G CA 0.834 45.959 45.100 0.041 0.000 0.779 262 G HN 0.472 nan 8.290 nan 0.000 0.543 263 K N -0.565 119.872 120.400 0.063 0.000 2.097 263 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 263 K C 2.407 179.082 176.600 0.125 0.000 1.049 263 K CA 0.580 56.926 56.287 0.100 0.000 0.933 263 K CB -0.230 32.303 32.500 0.054 0.000 0.717 263 K HN 0.133 nan 8.250 nan 0.000 0.442 264 L N 1.811 123.072 121.223 0.062 0.000 2.027 264 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 264 L C 1.762 178.673 176.870 0.068 0.000 1.074 264 L CA 1.632 56.492 54.840 0.032 0.000 0.745 264 L CB -0.898 41.156 42.059 -0.010 0.000 0.898 264 L HN 0.178 nan 8.230 nan 0.000 0.433 265 N N -1.325 117.430 118.700 0.092 0.000 2.149 265 N HA -0.278 4.462 4.740 -0.000 0.000 0.188 265 N C 1.681 177.292 175.510 0.169 0.000 1.019 265 N CA 1.231 54.349 53.050 0.113 0.000 0.857 265 N CB -0.410 38.150 38.487 0.120 0.000 0.997 265 N HN 0.523 nan 8.380 nan 0.000 0.426 266 W N 1.567 122.881 121.300 0.022 0.000 2.436 266 W HA 0.013 4.673 4.660 -0.000 0.000 0.284 266 W C 1.772 178.346 176.519 0.092 0.000 1.225 266 W CA 1.246 58.611 57.345 0.033 0.000 1.271 266 W CB -0.011 29.438 29.460 -0.019 0.000 1.114 266 W HN 0.032 nan 8.180 nan 0.000 0.559 267 A N 0.544 123.435 122.820 0.118 0.000 2.014 267 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 267 A C 1.954 179.614 177.584 0.126 0.000 1.163 267 A CA 1.800 53.901 52.037 0.106 0.000 0.652 267 A CB -1.095 17.908 19.000 0.005 0.000 0.808 267 A HN 0.313 nan 8.150 nan 0.000 0.449 268 S N 0.527 116.261 115.700 0.057 0.000 2.547 268 S HA -0.195 4.275 4.470 -0.000 0.000 0.235 268 S C 1.629 176.229 174.600 -0.000 0.000 0.980 268 S CA 0.978 59.201 58.200 0.039 0.000 0.941 268 S CB -0.598 62.613 63.200 0.018 0.000 0.763 268 S HN 0.835 nan 8.310 nan 0.000 0.532 269 Q N -0.457 119.342 119.800 -0.002 0.000 2.444 269 Q HA 0.324 4.664 4.340 -0.000 0.000 0.206 269 Q C 1.349 177.437 176.000 0.146 0.000 0.948 269 Q CA 0.439 56.275 55.803 0.055 0.000 0.946 269 Q CB -0.175 28.614 28.738 0.084 0.000 1.027 269 Q HN 0.607 nan 8.270 nan 0.000 0.513 270 I N -1.781 118.819 120.570 0.049 0.000 5.183 270 I HA 0.184 4.353 4.170 -0.000 0.000 0.343 270 I C -0.906 175.055 176.117 -0.260 0.000 1.230 270 I CA -0.500 60.719 61.300 -0.136 0.000 1.473 270 I CB 0.989 38.755 38.000 -0.390 0.000 1.569 270 I HN -0.015 nan 8.210 nan 0.000 0.544 271 Y N 5.155 125.399 120.300 -0.094 0.000 2.452 271 Y HA 0.445 4.995 4.550 0.001 0.000 0.348 271 Y C -2.068 173.785 175.900 -0.078 0.000 0.985 271 Y CA -2.339 55.709 58.100 -0.085 0.000 1.214 271 Y CB 0.100 38.524 38.460 -0.059 0.000 1.136 271 Y HN 0.067 nan 8.280 nan 0.000 0.523 272 P HA 0.163 nan 4.420 nan 0.000 0.279 272 P C 0.703 178.007 177.300 0.006 0.000 1.239 272 P CA 0.339 63.430 63.100 -0.016 0.000 0.789 272 P CB 1.535 33.209 31.700 -0.044 0.000 0.933 273 G N 2.218 111.015 108.800 -0.005 0.000 2.176 273 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 273 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 273 G C 0.254 175.150 174.900 -0.007 0.000 0.979 273 G CA -0.479 44.617 45.100 -0.007 0.000 0.641 273 G HN 0.465 nan 8.290 nan 0.000 0.530 274 I N 1.014 121.586 120.570 0.004 0.000 2.710 274 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 274 I C 0.803 176.911 176.117 -0.015 0.000 1.181 274 I CA 0.896 62.192 61.300 -0.006 0.000 1.430 274 I CB 0.516 38.519 38.000 0.005 0.000 1.367 274 I HN 0.173 nan 8.210 nan 0.000 0.577 275 K N 4.730 125.112 120.400 -0.029 0.000 2.375 275 K HA 0.545 4.865 4.320 -0.000 0.000 0.249 275 K C 0.233 176.806 176.600 -0.045 0.000 0.942 275 K CA -0.578 55.688 56.287 -0.035 0.000 0.806 275 K CB 2.844 35.317 32.500 -0.045 0.000 1.227 275 K HN 0.435 nan 8.250 nan 0.000 0.430 276 V N -1.335 118.554 119.914 -0.042 0.000 3.392 276 V HA 0.146 4.266 4.120 -0.000 0.000 0.285 276 V C 1.665 177.727 176.094 -0.054 0.000 1.582 276 V CA -0.081 62.188 62.300 -0.051 0.000 1.034 276 V CB 0.402 32.204 31.823 -0.034 0.000 0.846 276 V HN 0.719 nan 8.190 nan 0.000 0.431 277 R N 1.527 121.998 120.500 -0.050 0.000 2.162 277 R HA -0.217 4.123 4.340 -0.000 0.000 0.245 277 R C 2.224 178.490 176.300 -0.057 0.000 1.129 277 R CA 2.874 58.944 56.100 -0.051 0.000 0.940 277 R CB -0.528 29.740 30.300 -0.053 0.000 0.875 277 R HN 0.561 nan 8.270 nan 0.000 0.437 278 Q N -0.249 119.512 119.800 -0.066 0.000 2.311 278 Q HA 0.012 4.352 4.340 -0.000 0.000 0.203 278 Q C 2.232 178.182 176.000 -0.084 0.000 0.954 278 Q CA 1.033 56.794 55.803 -0.070 0.000 0.885 278 Q CB 0.056 28.750 28.738 -0.073 0.000 0.963 278 Q HN 0.446 nan 8.270 nan 0.000 0.471 279 L N -0.861 120.303 121.223 -0.099 0.000 2.131 279 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 279 L C 2.422 179.239 176.870 -0.089 0.000 1.087 279 L CA 0.456 55.222 54.840 -0.123 0.000 0.767 279 L CB -0.297 41.669 42.059 -0.154 0.000 0.917 279 L HN 0.199 nan 8.230 nan 0.000 0.441 280 C N 0.106 119.366 119.300 -0.067 0.000 2.429 280 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 280 C C 2.781 177.746 174.990 -0.041 0.000 1.262 280 C CA 0.618 59.607 59.018 -0.047 0.000 1.733 280 C CB -0.597 27.120 27.740 -0.038 0.000 2.010 280 C HN 0.410 nan 8.230 nan 0.000 0.483 281 K N 0.346 120.720 120.400 -0.044 0.000 2.113 281 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 281 K C 1.697 178.277 176.600 -0.033 0.000 1.047 281 K CA 1.132 57.398 56.287 -0.037 0.000 0.928 281 K CB -0.454 32.022 32.500 -0.039 0.000 0.716 281 K HN 0.336 nan 8.250 nan 0.000 0.446 282 L N 0.655 121.852 121.223 -0.042 0.000 2.127 282 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 282 L C 1.957 178.814 176.870 -0.022 0.000 1.089 282 L CA 1.277 56.096 54.840 -0.036 0.000 0.757 282 L CB -0.505 41.521 42.059 -0.055 0.000 0.899 282 L HN 0.100 nan 8.230 nan 0.000 0.434 283 L N -0.938 120.271 121.223 -0.023 0.000 2.610 283 L HA 0.021 4.361 4.340 -0.000 0.000 0.232 283 L C 1.072 177.937 176.870 -0.009 0.000 1.149 283 L CA 0.598 55.430 54.840 -0.013 0.000 0.872 283 L CB -0.743 41.307 42.059 -0.015 0.000 0.992 283 L HN 0.126 nan 8.230 nan 0.000 0.447 284 R N 0.095 120.588 120.500 -0.012 0.000 2.401 284 R HA 0.439 4.779 4.340 -0.000 0.000 0.299 284 R C 0.510 176.807 176.300 -0.005 0.000 1.064 284 R CA 0.594 56.689 56.100 -0.009 0.000 1.000 284 R CB 0.059 30.352 30.300 -0.012 0.000 0.973 284 R HN 0.260 nan 8.270 nan 0.000 0.438 285 G N 1.340 110.138 108.800 -0.003 0.000 2.497 285 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 285 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 285 G C -0.816 174.084 174.900 0.001 0.000 1.288 285 G CA -1.103 43.996 45.100 -0.001 0.000 0.899 285 G HN 0.412 nan 8.290 nan 0.000 0.608 286 T N 2.168 116.723 114.554 0.002 0.000 2.794 286 T HA 0.555 4.905 4.350 -0.000 0.000 0.304 286 T C 0.350 175.052 174.700 0.004 0.000 0.973 286 T CA 0.098 62.200 62.100 0.003 0.000 0.972 286 T CB 0.574 69.443 68.868 0.002 0.000 0.952 286 T HN 0.584 nan 8.240 nan 0.000 0.509 287 K N 1.398 121.802 120.400 0.006 0.000 2.395 287 K HA 0.742 5.062 4.320 -0.000 0.000 0.247 287 K C -0.163 176.442 176.600 0.008 0.000 0.973 287 K CA -0.943 55.349 56.287 0.008 0.000 0.828 287 K CB 2.165 34.671 32.500 0.010 0.000 1.272 287 K HN 0.579 nan 8.250 nan 0.000 0.439 288 A N 1.726 124.551 122.820 0.009 0.000 2.483 288 A HA 0.019 4.338 4.320 -0.000 0.000 0.238 288 A C 1.016 178.607 177.584 0.012 0.000 1.070 288 A CA -0.043 51.999 52.037 0.008 0.000 0.770 288 A CB 0.081 19.085 19.000 0.007 0.000 1.008 288 A HN 0.732 nan 8.150 nan 0.000 0.497 289 L N 2.041 123.270 121.223 0.010 0.000 2.131 289 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 289 L C 2.788 179.668 176.870 0.017 0.000 1.092 289 L CA 2.783 57.631 54.840 0.014 0.000 0.759 289 L CB -0.542 41.522 42.059 0.009 0.000 0.903 289 L HN 0.961 nan 8.230 nan 0.000 0.435 290 T N -4.027 110.534 114.554 0.011 0.000 3.100 290 T HA -0.024 4.326 4.350 -0.000 0.000 0.253 290 T C 0.843 175.551 174.700 0.013 0.000 1.118 290 T CA -0.223 61.882 62.100 0.009 0.000 1.058 290 T CB -0.358 68.511 68.868 0.002 0.000 0.953 290 T HN 0.310 nan 8.240 nan 0.000 0.515 291 E N 1.365 121.576 120.200 0.018 0.000 2.360 291 E HA 0.308 4.658 4.350 -0.000 0.000 0.269 291 E C -0.772 175.849 176.600 0.035 0.000 1.022 291 E CA -0.486 55.927 56.400 0.021 0.000 0.887 291 E CB 0.783 30.495 29.700 0.019 0.000 0.990 291 E HN 0.118 nan 8.360 nan 0.000 0.426 292 V N 6.250 126.185 119.914 0.034 0.000 2.488 292 V HA 0.143 4.263 4.120 -0.000 0.000 0.277 292 V C 0.085 176.215 176.094 0.060 0.000 1.046 292 V CA -0.413 61.919 62.300 0.053 0.000 0.986 292 V CB 0.838 32.683 31.823 0.037 0.000 0.989 292 V HN 0.576 nan 8.190 nan 0.000 0.475 293 I N 7.324 127.948 120.570 0.089 0.000 2.355 293 I HA 0.388 4.558 4.170 -0.000 0.000 0.288 293 I C -2.178 173.992 176.117 0.089 0.000 0.999 293 I CA -2.651 58.691 61.300 0.070 0.000 1.163 293 I CB 1.534 39.566 38.000 0.055 0.000 1.316 293 I HN 0.417 nan 8.210 nan 0.000 0.454 294 P HA 0.186 nan 4.420 nan 0.000 0.271 294 P C -0.350 176.975 177.300 0.041 0.000 1.220 294 P CA -0.302 62.837 63.100 0.065 0.000 0.768 294 P CB 0.900 32.625 31.700 0.041 0.000 0.848 295 L N 3.200 124.450 121.223 0.045 0.000 2.462 295 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 295 L C 1.697 178.558 176.870 -0.015 0.000 1.166 295 L CA -0.082 54.748 54.840 -0.017 0.000 0.880 295 L CB -0.019 42.013 42.059 -0.044 0.000 1.142 295 L HN 0.503 nan 8.230 nan 0.000 0.473 296 T N -1.150 113.385 114.554 -0.031 0.000 2.795 296 T HA -0.037 4.312 4.350 -0.000 0.000 0.314 296 T C 0.964 175.645 174.700 -0.032 0.000 1.069 296 T CA -0.454 61.630 62.100 -0.027 0.000 1.071 296 T CB 1.281 70.129 68.868 -0.033 0.000 0.988 296 T HN 0.634 nan 8.240 nan 0.000 0.543 297 E N 0.639 120.824 120.200 -0.025 0.000 2.072 297 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 297 E C 1.925 178.504 176.600 -0.036 0.000 0.985 297 E CA 1.525 57.909 56.400 -0.025 0.000 0.801 297 E CB -0.407 29.282 29.700 -0.019 0.000 0.750 297 E HN 0.837 nan 8.360 nan 0.000 0.452 298 E N 0.266 120.442 120.200 -0.040 0.000 2.077 298 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 298 E C 1.986 178.549 176.600 -0.061 0.000 0.989 298 E CA 1.415 57.787 56.400 -0.047 0.000 0.800 298 E CB -0.498 29.174 29.700 -0.046 0.000 0.746 298 E HN 0.366 nan 8.360 nan 0.000 0.452 299 A N 0.761 123.538 122.820 -0.071 0.000 1.969 299 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 299 A C 2.118 179.636 177.584 -0.110 0.000 1.169 299 A CA 1.583 53.560 52.037 -0.101 0.000 0.635 299 A CB -0.364 18.565 19.000 -0.117 0.000 0.810 299 A HN 0.156 nan 8.150 nan 0.000 0.445 300 E N -0.391 119.760 120.200 -0.081 0.000 2.072 300 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 300 E C 1.737 178.304 176.600 -0.056 0.000 0.985 300 E CA 0.741 57.101 56.400 -0.066 0.000 0.801 300 E CB -0.225 29.455 29.700 -0.033 0.000 0.750 300 E HN 0.351 nan 8.360 nan 0.000 0.452 301 L N 1.030 122.224 121.223 -0.050 0.000 2.079 301 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 301 L C 2.283 179.120 176.870 -0.054 0.000 1.081 301 L CA 1.791 56.605 54.840 -0.044 0.000 0.752 301 L CB -1.044 40.990 42.059 -0.041 0.000 0.896 301 L HN 0.280 nan 8.230 nan 0.000 0.433 302 E N -0.614 119.545 120.200 -0.068 0.000 2.072 302 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 302 E C 2.220 178.769 176.600 -0.085 0.000 0.985 302 E CA 0.756 57.111 56.400 -0.076 0.000 0.801 302 E CB -0.059 29.590 29.700 -0.086 0.000 0.750 302 E HN 0.246 nan 8.360 nan 0.000 0.452 303 L N 0.794 121.953 121.223 -0.107 0.000 2.083 303 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 303 L C 2.142 178.971 176.870 -0.069 0.000 1.083 303 L CA 2.113 56.883 54.840 -0.116 0.000 0.752 303 L CB -0.747 41.213 42.059 -0.165 0.000 0.899 303 L HN 0.164 nan 8.230 nan 0.000 0.433 304 A N -0.741 122.049 122.820 -0.051 0.000 1.858 304 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 304 A C 2.337 179.902 177.584 -0.033 0.000 1.190 304 A CA 1.748 53.766 52.037 -0.030 0.000 0.617 304 A CB -0.776 18.210 19.000 -0.024 0.000 0.827 304 A HN 0.583 nan 8.150 nan 0.000 0.443 305 E N -0.015 120.162 120.200 -0.038 0.000 2.110 305 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 305 E C 1.804 178.381 176.600 -0.038 0.000 0.988 305 E CA 1.480 57.859 56.400 -0.036 0.000 0.804 305 E CB -0.252 29.424 29.700 -0.039 0.000 0.745 305 E HN 0.772 nan 8.360 nan 0.000 0.458 306 N N -0.261 118.410 118.700 -0.049 0.000 2.166 306 N HA -0.149 4.590 4.740 -0.000 0.000 0.186 306 N C 1.932 177.406 175.510 -0.060 0.000 1.019 306 N CA 0.872 53.888 53.050 -0.057 0.000 0.856 306 N CB -0.048 38.397 38.487 -0.070 0.000 0.993 306 N HN 0.021 nan 8.380 nan 0.000 0.426 307 R N 0.904 121.375 120.500 -0.048 0.000 2.096 307 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 307 R C 1.805 178.085 176.300 -0.032 0.000 1.127 307 R CA 0.957 57.034 56.100 -0.038 0.000 0.968 307 R CB 0.134 30.424 30.300 -0.016 0.000 0.861 307 R HN 0.202 nan 8.270 nan 0.000 0.440 308 E N 0.450 120.635 120.200 -0.025 0.000 2.047 308 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 308 E C 1.971 178.566 176.600 -0.008 0.000 0.987 308 E CA 1.051 57.442 56.400 -0.015 0.000 0.799 308 E CB -0.073 29.618 29.700 -0.015 0.000 0.752 308 E HN 0.366 nan 8.360 nan 0.000 0.449 309 I N 0.805 121.368 120.570 -0.010 0.000 2.208 309 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 309 I C 2.188 178.326 176.117 0.034 0.000 1.097 309 I CA 0.993 62.307 61.300 0.023 0.000 1.363 309 I CB -0.161 37.850 38.000 0.020 0.000 1.051 309 I HN 0.047 nan 8.210 nan 0.000 0.413 310 L N 0.003 121.175 121.223 -0.084 0.000 2.599 310 L HA -0.053 4.287 4.340 -0.000 0.000 0.230 310 L C 2.192 179.021 176.870 -0.067 0.000 1.141 310 L CA 0.166 54.872 54.840 -0.223 0.000 0.877 310 L CB -0.282 41.586 42.059 -0.319 0.000 1.009 310 L HN 0.086 nan 8.230 nan 0.000 0.447 311 K N 0.860 121.256 120.400 -0.008 0.000 2.097 311 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 311 K C 0.577 177.200 176.600 0.039 0.000 1.050 311 K CA 1.023 57.316 56.287 0.009 0.000 0.938 311 K CB 0.118 32.622 32.500 0.007 0.000 0.718 311 K HN 0.037 nan 8.250 nan 0.000 0.442 312 E N -0.005 120.236 120.200 0.069 0.000 2.179 312 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 312 E C -2.589 174.102 176.600 0.151 0.000 0.945 312 E CA -2.812 53.634 56.400 0.078 0.000 0.792 312 E CB 1.227 30.952 29.700 0.043 0.000 1.125 312 E HN -0.116 nan 8.360 nan 0.000 0.397 313 P HA 0.041 nan 4.420 nan 0.000 0.266 313 P C -1.112 176.200 177.300 0.021 0.000 1.195 313 P CA -0.067 63.126 63.100 0.154 0.000 0.768 313 P CB 0.599 32.358 31.700 0.098 0.000 0.838 314 V N 3.524 123.329 119.914 -0.182 0.000 2.823 314 V HA 0.465 4.585 4.120 -0.000 0.000 0.312 314 V C -0.065 175.735 176.094 -0.490 0.000 1.072 314 V CA -0.565 61.440 62.300 -0.493 0.000 0.937 314 V CB 1.970 33.263 31.823 -0.882 0.000 1.013 314 V HN 0.748 nan 8.190 nan 0.000 0.430 315 H N 1.236 120.024 119.070 -0.469 0.000 2.865 315 H HA 0.804 5.360 4.556 0.001 0.000 0.372 315 H C -0.343 174.585 175.328 -0.666 0.000 1.173 315 H CA -0.694 55.021 56.048 -0.556 0.000 1.147 315 H CB 2.376 31.889 29.762 -0.414 0.000 1.805 315 H HN 0.783 nan 8.280 nan 0.000 0.553 316 G N 0.301 108.520 108.800 -0.968 0.000 2.471 316 G HA2 0.456 4.416 3.960 -0.000 0.000 0.332 316 G HA3 0.456 4.416 3.960 -0.000 0.000 0.332 316 G C -0.871 173.713 174.900 -0.526 0.000 1.176 316 G CA -0.542 44.013 45.100 -0.908 0.000 0.949 316 G HN 0.512 nan 8.290 nan 0.000 0.488 317 V N -0.015 119.833 119.914 -0.111 0.000 3.093 317 V HA 0.706 4.826 4.120 -0.000 0.000 0.320 317 V C -0.713 175.460 176.094 0.133 0.000 1.093 317 V CA -0.879 61.416 62.300 -0.008 0.000 1.016 317 V CB 1.530 33.393 31.823 0.067 0.000 1.096 317 V HN 0.597 nan 8.190 nan 0.000 0.452 318 Y N 1.438 121.933 120.300 0.326 0.000 2.418 318 Y HA 0.416 4.964 4.550 -0.003 0.000 0.327 318 Y C -0.335 175.760 175.900 0.326 0.000 1.309 318 Y CA -0.221 58.076 58.100 0.329 0.000 1.423 318 Y CB 0.457 39.055 38.460 0.230 0.000 1.423 318 Y HN 0.617 nan 8.280 nan 0.000 0.532 319 Y N 1.564 122.098 120.300 0.390 0.000 2.320 319 Y HA 0.283 4.834 4.550 0.002 0.000 0.334 319 Y C -0.715 175.280 175.900 0.158 0.000 1.055 319 Y CA -1.464 56.796 58.100 0.268 0.000 1.143 319 Y CB 0.700 39.385 38.460 0.375 0.000 1.193 319 Y HN 0.493 nan 8.280 nan 0.000 0.477 320 D N 8.788 128.944 120.400 -0.407 0.000 2.427 320 D HA 0.276 4.916 4.640 -0.000 0.000 0.226 320 D C -2.058 173.708 176.300 -0.890 0.000 1.076 320 D CA -2.517 51.195 54.000 -0.479 0.000 0.849 320 D CB 1.967 42.642 40.800 -0.209 0.000 1.052 320 D HN 0.366 nan 8.370 nan 0.000 0.515 321 P HA -0.106 nan 4.420 nan 0.000 0.228 321 P C 0.948 178.086 177.300 -0.270 0.000 1.151 321 P CA 0.614 63.344 63.100 -0.617 0.000 0.770 321 P CB 0.181 31.742 31.700 -0.231 0.000 0.786 322 S N -2.193 113.369 115.700 -0.229 0.000 2.575 322 S HA 0.135 4.605 4.470 -0.000 0.000 0.215 322 S C 0.712 175.242 174.600 -0.117 0.000 0.966 322 S CA -0.250 57.872 58.200 -0.129 0.000 0.911 322 S CB -0.415 62.726 63.200 -0.098 0.000 0.780 322 S HN 0.092 nan 8.310 nan 0.000 0.514 323 K N 1.027 121.335 120.400 -0.153 0.000 2.281 323 K HA 0.441 4.761 4.320 -0.000 0.000 0.242 323 K C -1.070 175.465 176.600 -0.107 0.000 0.971 323 K CA -0.932 55.286 56.287 -0.115 0.000 0.834 323 K CB 0.775 33.210 32.500 -0.108 0.000 1.181 323 K HN 0.079 nan 8.250 nan 0.000 0.435 324 D N 1.192 121.531 120.400 -0.102 0.000 2.357 324 D HA 0.161 4.801 4.640 -0.000 0.000 0.242 324 D C -0.330 175.860 176.300 -0.183 0.000 1.153 324 D CA 0.062 53.987 54.000 -0.124 0.000 0.918 324 D CB 0.838 41.564 40.800 -0.124 0.000 1.181 324 D HN 0.188 nan 8.370 nan 0.000 0.435 325 L N 2.346 123.414 121.223 -0.258 0.000 2.275 325 L HA 0.340 4.680 4.340 -0.000 0.000 0.288 325 L C -0.161 176.432 176.870 -0.460 0.000 1.046 325 L CA -0.650 53.937 54.840 -0.422 0.000 0.805 325 L CB 1.173 42.877 42.059 -0.592 0.000 1.193 325 L HN 0.106 nan 8.230 nan 0.000 0.426 326 I N 2.994 123.218 120.570 -0.578 0.000 2.433 326 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 326 I C 0.120 175.808 176.117 -0.716 0.000 1.001 326 I CA -0.500 60.398 61.300 -0.670 0.000 1.119 326 I CB 1.703 39.182 38.000 -0.868 0.000 1.289 326 I HN 0.564 nan 8.210 nan 0.000 0.438 327 A N 6.096 128.556 122.820 -0.600 0.000 2.304 327 A HA 0.674 4.994 4.320 -0.000 0.000 0.314 327 A C -0.333 177.171 177.584 -0.133 0.000 1.187 327 A CA -0.572 51.220 52.037 -0.407 0.000 0.810 327 A CB 0.934 19.550 19.000 -0.639 0.000 1.183 327 A HN 0.746 nan 8.150 nan 0.000 0.487 328 E N 1.746 121.972 120.200 0.044 0.000 2.183 328 E HA 0.587 4.937 4.350 -0.000 0.000 0.271 328 E C -1.091 175.655 176.600 0.243 0.000 0.919 328 E CA -0.364 56.134 56.400 0.164 0.000 0.781 328 E CB 2.058 31.892 29.700 0.224 0.000 1.140 328 E HN 0.636 nan 8.360 nan 0.000 0.402 329 I N 2.531 123.241 120.570 0.234 0.000 2.509 329 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 329 I C -0.678 175.598 176.117 0.266 0.000 1.020 329 I CA -0.899 60.569 61.300 0.281 0.000 1.088 329 I CB 1.776 39.908 38.000 0.220 0.000 1.267 329 I HN 0.360 nan 8.210 nan 0.000 0.430 330 Q N 4.125 124.094 119.800 0.282 0.000 2.394 330 Q HA 0.420 4.760 4.340 -0.000 0.000 0.273 330 Q C -0.780 175.319 176.000 0.164 0.000 1.089 330 Q CA -0.896 55.026 55.803 0.198 0.000 0.812 330 Q CB 2.524 31.318 28.738 0.093 0.000 1.353 330 Q HN 0.362 nan 8.270 nan 0.000 0.438 331 K N 1.223 121.599 120.400 -0.041 0.000 2.322 331 K HA 0.097 4.417 4.320 -0.000 0.000 0.283 331 K C -0.002 176.389 176.600 -0.349 0.000 1.042 331 K CA 0.338 56.294 56.287 -0.552 0.000 0.958 331 K CB 0.569 32.717 32.500 -0.587 0.000 0.984 331 K HN 0.612 nan 8.250 nan 0.000 0.473 332 Q N 2.405 121.957 119.800 -0.414 0.000 2.217 332 Q HA 0.173 4.512 4.340 -0.000 0.000 0.217 332 Q C -0.113 175.743 176.000 -0.239 0.000 0.844 332 Q CA 0.171 55.832 55.803 -0.236 0.000 0.957 332 Q CB 1.271 29.919 28.738 -0.149 0.000 1.127 332 Q HN 1.015 nan 8.270 nan 0.000 0.503 333 G N 1.423 110.016 108.800 -0.344 0.000 2.712 333 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 333 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 333 G C -0.516 174.264 174.900 -0.199 0.000 1.181 333 G CA -0.500 44.455 45.100 -0.243 0.000 0.762 333 G HN 0.285 nan 8.290 nan 0.000 0.641 334 Q N -1.409 118.300 119.800 -0.152 0.000 2.478 334 Q HA 0.019 4.359 4.340 -0.000 0.000 0.286 334 Q C 1.660 177.608 176.000 -0.088 0.000 1.299 334 Q CA 2.374 58.116 55.803 -0.103 0.000 0.826 334 Q CB -1.623 27.062 28.738 -0.088 0.000 1.199 334 Q HN 2.848 nan 8.270 nan 0.000 0.451 335 G N -0.846 107.898 108.800 -0.093 0.000 2.153 335 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.252 335 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.252 335 G C -0.118 174.787 174.900 0.010 0.000 0.994 335 G CA 0.499 45.620 45.100 0.035 0.000 0.698 335 G HN 0.420 nan 8.290 nan 0.000 0.521 336 Q N -1.089 118.571 119.800 -0.233 0.000 2.290 336 Q HA 0.587 4.927 4.340 -0.000 0.000 0.259 336 Q C -0.732 175.044 176.000 -0.374 0.000 0.941 336 Q CA -0.560 55.147 55.803 -0.160 0.000 0.912 336 Q CB 1.166 29.829 28.738 -0.125 0.000 1.244 336 Q HN 0.398 nan 8.270 nan 0.000 0.441 337 W N 0.745 122.121 121.300 0.127 0.000 2.844 337 W HA 0.519 5.178 4.660 -0.001 0.000 0.340 337 W C -0.113 176.521 176.519 0.191 0.000 1.093 337 W CA -0.616 56.836 57.345 0.178 0.000 1.212 337 W CB 2.156 31.779 29.460 0.272 0.000 1.422 337 W HN 0.333 nan 8.180 nan 0.000 0.515 338 T N 2.076 116.855 114.554 0.374 0.000 2.900 338 T HA 0.697 5.047 4.350 -0.000 0.000 0.295 338 T C -1.520 173.374 174.700 0.323 0.000 1.044 338 T CA -0.444 61.800 62.100 0.241 0.000 0.995 338 T CB 0.713 69.638 68.868 0.094 0.000 1.072 338 T HN 0.340 nan 8.240 nan 0.000 0.473 339 Y N 1.314 121.715 120.300 0.169 0.000 2.609 339 Y HA 0.876 5.426 4.550 -0.001 0.000 0.342 339 Y C -1.231 174.748 175.900 0.131 0.000 1.058 339 Y CA -1.286 56.907 58.100 0.154 0.000 1.055 339 Y CB 1.271 39.827 38.460 0.159 0.000 1.292 339 Y HN 0.468 nan 8.280 nan 0.000 0.476 340 Q N 1.659 121.649 119.800 0.315 0.000 2.389 340 Q HA 0.711 5.051 4.340 -0.000 0.000 0.277 340 Q C -1.592 174.560 176.000 0.253 0.000 1.082 340 Q CA -0.602 55.344 55.803 0.238 0.000 0.810 340 Q CB 3.322 32.206 28.738 0.243 0.000 1.374 340 Q HN 0.757 nan 8.270 nan 0.000 0.422 341 I N 2.627 123.325 120.570 0.214 0.000 2.466 341 I HA 0.573 4.743 4.170 -0.000 0.000 0.289 341 I C -1.244 174.910 176.117 0.063 0.000 1.026 341 I CA -1.073 60.247 61.300 0.033 0.000 1.078 341 I CB 0.966 39.009 38.000 0.071 0.000 1.249 341 I HN 0.657 nan 8.210 nan 0.000 0.429 342 Y N 3.248 123.503 120.300 -0.075 0.000 2.644 342 Y HA 0.552 5.101 4.550 -0.001 0.000 0.338 342 Y C -0.121 175.694 175.900 -0.142 0.000 1.119 342 Y CA -0.875 57.179 58.100 -0.076 0.000 1.060 342 Y CB 1.153 39.583 38.460 -0.049 0.000 1.294 342 Y HN 0.452 nan 8.280 nan 0.000 0.472 343 Q N -0.023 119.867 119.800 0.149 0.000 2.580 343 Q HA 0.159 4.499 4.340 -0.000 0.000 0.239 343 Q C -0.448 175.616 176.000 0.107 0.000 0.873 343 Q CA 0.064 55.886 55.803 0.031 0.000 0.951 343 Q CB 1.059 29.788 28.738 -0.016 0.000 1.172 343 Q HN 0.757 nan 8.270 nan 0.000 0.616 344 E N 2.220 122.465 120.200 0.075 0.000 2.175 344 E HA 0.233 4.583 4.350 -0.000 0.000 0.278 344 E C -2.519 173.944 176.600 -0.227 0.000 0.969 344 E CA -2.579 53.794 56.400 -0.045 0.000 0.796 344 E CB 1.297 30.958 29.700 -0.065 0.000 1.104 344 E HN -0.161 nan 8.360 nan 0.000 0.395 345 P HA -0.096 nan 4.420 nan 0.000 0.253 345 P C -0.847 175.725 177.300 -1.213 0.000 1.170 345 P CA 1.051 63.326 63.100 -1.376 0.000 0.806 345 P CB -0.332 30.600 31.700 -1.280 0.000 0.775 346 F N 0.377 119.774 119.950 -0.922 0.000 2.411 346 F HA -0.214 4.313 4.527 -0.000 0.000 0.393 346 F C 0.625 176.248 175.800 -0.295 0.000 0.576 346 F CA 0.005 57.685 58.000 -0.533 0.000 1.609 346 F CB -1.329 37.450 39.000 -0.369 0.000 2.186 346 F HN 0.272 nan 8.300 nan 0.000 0.274 347 K N 2.294 122.614 120.400 -0.132 0.000 2.184 347 K HA 0.207 4.527 4.320 -0.000 0.000 0.259 347 K C -0.036 176.575 176.600 0.018 0.000 1.119 347 K CA -0.401 55.850 56.287 -0.061 0.000 0.991 347 K CB 0.171 32.646 32.500 -0.042 0.000 1.522 347 K HN 0.048 nan 8.250 nan 0.000 0.405 348 N N 2.442 121.146 118.700 0.006 0.000 2.513 348 N HA 0.019 4.758 4.740 -0.000 0.000 0.268 348 N C 1.041 176.618 175.510 0.112 0.000 1.180 348 N CA 0.012 53.121 53.050 0.098 0.000 0.948 348 N CB 0.891 39.402 38.487 0.040 0.000 1.083 348 N HN 0.290 nan 8.380 nan 0.000 0.455 349 L N 1.779 123.141 121.223 0.232 0.000 2.072 349 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 349 L C 1.033 178.223 176.870 0.533 0.000 1.079 349 L CA 1.398 56.478 54.840 0.401 0.000 0.752 349 L CB -0.270 42.071 42.059 0.469 0.000 0.906 349 L HN 0.657 nan 8.230 nan 0.000 0.436 350 K N -1.940 118.701 120.400 0.401 0.000 2.615 350 K HA 0.545 4.864 4.320 -0.000 0.000 0.291 350 K C -0.966 175.747 176.600 0.188 0.000 1.017 350 K CA -0.633 55.883 56.287 0.382 0.000 0.882 350 K CB 1.591 34.331 32.500 0.401 0.000 1.522 350 K HN -0.114 nan 8.250 nan 0.000 0.412 351 T N -2.237 112.359 114.554 0.069 0.000 2.910 351 T HA 0.888 5.238 4.350 -0.000 0.000 0.287 351 T C 0.100 174.573 174.700 -0.379 0.000 1.050 351 T CA -0.420 61.599 62.100 -0.134 0.000 1.011 351 T CB 1.805 70.601 68.868 -0.121 0.000 1.195 351 T HN 0.979 nan 8.240 nan 0.000 0.540 352 G N -0.047 108.173 108.800 -0.966 0.000 2.608 352 G HA2 0.654 4.614 3.960 -0.000 0.000 0.291 352 G HA3 0.654 4.614 3.960 -0.000 0.000 0.291 352 G C -1.950 172.539 174.900 -0.685 0.000 1.425 352 G CA -1.186 43.354 45.100 -0.934 0.000 0.787 352 G HN 0.983 nan 8.290 nan 0.000 0.484 353 K N -1.318 119.017 120.400 -0.108 0.000 2.443 353 K HA 0.751 5.071 4.320 -0.000 0.000 0.251 353 K C -2.148 174.680 176.600 0.380 0.000 0.972 353 K CA -1.121 55.257 56.287 0.152 0.000 0.833 353 K CB 2.911 35.460 32.500 0.083 0.000 1.317 353 K HN 0.610 nan 8.250 nan 0.000 0.441 354 Y N 0.360 120.843 120.300 0.305 0.000 2.354 354 Y HA 0.552 5.101 4.550 -0.000 0.000 0.330 354 Y C -1.418 174.660 175.900 0.296 0.000 1.011 354 Y CA -0.351 57.913 58.100 0.273 0.000 1.099 354 Y CB 2.287 40.894 38.460 0.245 0.000 1.179 354 Y HN 0.871 nan 8.280 nan 0.000 0.442 355 A N 6.381 128.976 122.820 -0.376 0.000 2.709 355 A HA 0.341 4.661 4.320 -0.000 0.000 0.241 355 A C -0.342 177.039 177.584 -0.339 0.000 0.879 355 A CA -0.551 51.366 52.037 -0.201 0.000 1.120 355 A CB 0.069 19.035 19.000 -0.056 0.000 1.226 355 A HN 0.713 nan 8.150 nan 0.000 0.468 356 R N 0.060 120.106 120.500 -0.758 0.000 2.528 356 R HA 0.725 5.065 4.340 -0.000 0.000 0.271 356 R C -0.483 175.720 176.300 -0.162 0.000 1.056 356 R CA -0.405 55.451 56.100 -0.407 0.000 1.117 356 R CB 0.795 30.860 30.300 -0.392 0.000 1.085 356 R HN 0.456 nan 8.270 nan 0.000 0.530 357 M N 2.809 122.380 119.600 -0.048 0.000 2.253 357 M HA 0.396 4.876 4.480 -0.000 0.000 0.314 357 M C -1.111 175.210 176.300 0.035 0.000 1.019 357 M CA -0.558 54.753 55.300 0.018 0.000 0.932 357 M CB 1.635 34.239 32.600 0.007 0.000 1.606 357 M HN 0.509 nan 8.290 nan 0.000 0.430 358 R N 3.433 123.972 120.500 0.066 0.000 2.246 358 R HA 0.723 5.063 4.340 -0.000 0.000 0.332 358 R C 0.004 176.339 176.300 0.057 0.000 0.974 358 R CA -0.245 55.898 56.100 0.071 0.000 0.837 358 R CB 1.239 31.601 30.300 0.103 0.000 1.145 358 R HN 1.002 nan 8.270 nan 0.000 0.467 359 G N 1.261 110.081 108.800 0.032 0.000 2.712 359 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.683 359 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.683 359 G C 0.286 175.134 174.900 -0.087 0.000 1.320 359 G CA -0.349 44.751 45.100 -0.000 0.000 0.847 359 G HN 0.578 nan 8.290 nan 0.000 0.553 360 A N -0.502 122.167 122.820 -0.252 0.000 1.984 360 A HA 0.405 4.725 4.320 -0.000 0.000 0.214 360 A C 0.957 178.249 177.584 -0.487 0.000 1.173 360 A CA 1.813 53.578 52.037 -0.453 0.000 0.673 360 A CB -0.155 18.418 19.000 -0.712 0.000 0.830 360 A HN 1.058 nan 8.150 nan 0.000 0.453 361 H N -1.302 117.801 119.070 0.055 0.000 2.600 361 H HA 0.637 5.193 4.556 -0.000 0.000 0.357 361 H C -0.896 174.453 175.328 0.035 0.000 1.106 361 H CA -0.018 56.054 56.048 0.039 0.000 1.193 361 H CB 1.489 31.275 29.762 0.040 0.000 1.594 361 H HN 0.122 nan 8.280 nan 0.000 0.526 362 T N 1.414 116.032 114.554 0.106 0.000 2.739 362 T HA 0.333 4.683 4.350 -0.000 0.000 0.303 362 T C -1.346 173.321 174.700 -0.054 0.000 1.389 362 T CA -0.932 61.178 62.100 0.017 0.000 1.001 362 T CB 1.789 70.664 68.868 0.012 0.000 1.436 362 T HN 0.892 nan 8.240 nan 0.000 0.500 363 N N 0.304 118.888 118.700 -0.193 0.000 2.380 363 N HA 0.464 5.204 4.740 -0.000 0.000 0.290 363 N C 0.054 175.432 175.510 -0.221 0.000 1.236 363 N CA -0.677 52.225 53.050 -0.246 0.000 0.780 363 N CB 0.856 39.059 38.487 -0.474 0.000 1.438 363 N HN 0.347 nan 8.380 nan 0.000 0.491 364 D N -0.133 120.219 120.400 -0.081 0.000 2.228 364 D HA -0.112 4.528 4.640 -0.000 0.000 0.203 364 D C 1.512 177.741 176.300 -0.117 0.000 0.988 364 D CA 0.932 54.988 54.000 0.094 0.000 0.864 364 D CB -0.036 40.900 40.800 0.227 0.000 0.928 364 D HN 0.396 nan 8.370 nan 0.000 0.469 365 V N 0.555 120.209 119.914 -0.434 0.000 2.379 365 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 365 V C 2.327 178.109 176.094 -0.521 0.000 1.044 365 V CA 1.234 63.192 62.300 -0.571 0.000 1.036 365 V CB -0.249 30.924 31.823 -1.083 0.000 0.664 365 V HN 0.156 nan 8.190 nan 0.000 0.453 366 K N -0.232 119.767 120.400 -0.668 0.000 2.026 366 K HA -0.220 4.099 4.320 -0.000 0.000 0.208 366 K C 2.347 178.843 176.600 -0.174 0.000 1.048 366 K CA 1.671 57.777 56.287 -0.302 0.000 0.929 366 K CB -0.227 32.087 32.500 -0.309 0.000 0.713 366 K HN 0.472 nan 8.250 nan 0.000 0.439 367 Q N 0.582 120.260 119.800 -0.204 0.000 2.061 367 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 367 Q C 2.183 177.795 176.000 -0.647 0.000 0.984 367 Q CA 0.980 56.653 55.803 -0.217 0.000 0.846 367 Q CB -0.100 28.666 28.738 0.046 0.000 0.902 367 Q HN 0.313 nan 8.270 nan 0.000 0.421 368 L N 0.632 121.372 121.223 -0.806 0.000 2.042 368 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 368 L C 1.896 178.387 176.870 -0.631 0.000 1.076 368 L CA 1.892 56.144 54.840 -0.979 0.000 0.749 368 L CB -0.887 40.797 42.059 -0.625 0.000 0.893 368 L HN 0.285 nan 8.230 nan 0.000 0.432 369 T N -0.125 114.220 114.554 -0.348 0.000 2.821 369 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 369 T C 1.651 176.152 174.700 -0.333 0.000 1.046 369 T CA 1.528 63.483 62.100 -0.242 0.000 1.139 369 T CB -0.106 68.828 68.868 0.109 0.000 0.871 369 T HN 0.458 nan 8.240 nan 0.000 0.454 370 E N 1.162 121.164 120.200 -0.330 0.000 2.106 370 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 370 E C 2.538 178.705 176.600 -0.722 0.000 0.984 370 E CA 0.878 57.059 56.400 -0.364 0.000 0.806 370 E CB -0.212 29.380 29.700 -0.181 0.000 0.750 370 E HN 0.476 nan 8.360 nan 0.000 0.458 371 A N 0.902 123.098 122.820 -1.039 0.000 1.902 371 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 371 A C 2.491 179.656 177.584 -0.699 0.000 1.181 371 A CA 1.111 52.462 52.037 -1.143 0.000 0.623 371 A CB -0.691 17.733 19.000 -0.960 0.000 0.818 371 A HN 0.128 nan 8.150 nan 0.000 0.443 372 V N 0.166 119.672 119.914 -0.679 0.000 2.343 372 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 372 V C 2.787 178.577 176.094 -0.505 0.000 1.051 372 V CA 2.097 63.935 62.300 -0.771 0.000 1.036 372 V CB -0.696 30.505 31.823 -1.036 0.000 0.654 372 V HN 0.552 nan 8.190 nan 0.000 0.451 373 Q N 0.085 119.645 119.800 -0.400 0.000 2.050 373 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 373 Q C 2.305 178.201 176.000 -0.174 0.000 0.980 373 Q CA 1.819 57.482 55.803 -0.233 0.000 0.840 373 Q CB -0.566 28.067 28.738 -0.176 0.000 0.898 373 Q HN 0.637 nan 8.270 nan 0.000 0.424 374 K N 0.738 120.998 120.400 -0.233 0.000 2.063 374 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 374 K C 2.068 178.589 176.600 -0.131 0.000 1.048 374 K CA 1.181 57.379 56.287 -0.148 0.000 0.928 374 K CB -0.172 32.230 32.500 -0.162 0.000 0.713 374 K HN 0.160 nan 8.250 nan 0.000 0.442 375 I N 0.862 121.309 120.570 -0.205 0.000 2.439 375 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 375 I C 2.102 178.239 176.117 0.034 0.000 1.139 375 I CA 1.042 62.246 61.300 -0.161 0.000 1.438 375 I CB -0.212 37.653 38.000 -0.225 0.000 1.085 375 I HN 0.210 nan 8.210 nan 0.000 0.427 376 T N 0.039 114.644 114.554 0.085 0.000 2.708 376 T HA -0.171 4.178 4.350 -0.000 0.000 0.266 376 T C 1.934 176.665 174.700 0.052 0.000 1.037 376 T CA 2.107 64.273 62.100 0.110 0.000 1.146 376 T CB -0.367 68.548 68.868 0.079 0.000 0.865 376 T HN 0.341 nan 8.240 nan 0.000 0.435 377 T N 1.544 116.107 114.554 0.015 0.000 2.746 377 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 377 T C 1.926 176.627 174.700 0.001 0.000 1.039 377 T CA 1.436 63.544 62.100 0.012 0.000 1.142 377 T CB -0.276 68.596 68.868 0.006 0.000 0.866 377 T HN 0.553 nan 8.240 nan 0.000 0.444 378 E N 0.760 120.954 120.200 -0.010 0.000 2.085 378 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 378 E C 2.319 178.876 176.600 -0.072 0.000 0.994 378 E CA 1.351 57.724 56.400 -0.046 0.000 0.801 378 E CB -0.106 29.573 29.700 -0.034 0.000 0.743 378 E HN 0.325 nan 8.360 nan 0.000 0.453 379 S N 0.295 116.030 115.700 0.058 0.000 2.368 379 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 379 S C 1.926 176.608 174.600 0.137 0.000 1.030 379 S CA 1.100 59.450 58.200 0.251 0.000 0.999 379 S CB -0.203 63.164 63.200 0.279 0.000 0.844 379 S HN 0.296 nan 8.310 nan 0.000 0.459 380 I N 0.954 121.564 120.570 0.065 0.000 2.179 380 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 380 I C 2.174 178.282 176.117 -0.016 0.000 1.088 380 I CA 0.844 62.169 61.300 0.042 0.000 1.357 380 I CB -0.464 37.561 38.000 0.040 0.000 1.051 380 I HN 0.142 nan 8.210 nan 0.000 0.409 381 V N 1.216 121.097 119.914 -0.055 0.000 2.255 381 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 381 V C 2.252 178.223 176.094 -0.204 0.000 1.051 381 V CA 2.099 64.341 62.300 -0.097 0.000 1.018 381 V CB -0.411 31.357 31.823 -0.091 0.000 0.641 381 V HN 0.337 nan 8.190 nan 0.000 0.445 382 I N -1.978 118.362 120.570 -0.384 0.000 2.333 382 I HA -0.154 4.016 4.170 -0.000 0.000 0.246 382 I C 2.130 177.781 176.117 -0.777 0.000 1.106 382 I CA 1.461 62.318 61.300 -0.738 0.000 1.411 382 I CB -0.200 36.977 38.000 -1.371 0.000 1.082 382 I HN 0.408 nan 8.210 nan 0.000 0.420 383 W N -0.136 121.024 121.300 -0.233 0.000 2.865 383 W HA 0.350 5.009 4.660 -0.002 0.000 0.300 383 W C 1.478 177.903 176.519 -0.156 0.000 1.096 383 W CA 0.745 57.888 57.345 -0.336 0.000 1.524 383 W CB -0.049 29.108 29.460 -0.504 0.000 0.991 383 W HN 0.284 nan 8.180 nan 0.000 0.571 384 G N 2.315 111.171 108.800 0.092 0.000 2.132 384 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.234 384 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.234 384 G C 0.091 175.048 174.900 0.094 0.000 0.989 384 G CA 0.737 45.883 45.100 0.077 0.000 0.676 384 G HN 0.328 nan 8.290 nan 0.000 0.522 385 K N -1.273 119.197 120.400 0.116 0.000 2.575 385 K HA 0.673 4.993 4.320 -0.000 0.000 0.279 385 K C -0.234 176.408 176.600 0.068 0.000 0.969 385 K CA -0.357 55.979 56.287 0.082 0.000 0.868 385 K CB 0.791 33.333 32.500 0.071 0.000 1.457 385 K HN 0.581 nan 8.250 nan 0.000 0.426 386 T N -0.399 114.178 114.554 0.037 0.000 2.910 386 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 386 T C -1.958 172.681 174.700 -0.102 0.000 1.015 386 T CA -1.221 60.886 62.100 0.012 0.000 1.094 386 T CB 0.788 69.692 68.868 0.060 0.000 0.968 386 T HN 0.500 nan 8.240 nan 0.000 0.521 387 P HA 0.351 nan 4.420 nan 0.000 0.278 387 P C -0.843 176.197 177.300 -0.433 0.000 1.266 387 P CA -0.859 61.971 63.100 -0.449 0.000 0.807 387 P CB 0.748 32.029 31.700 -0.697 0.000 1.094 388 K N 0.798 120.970 120.400 -0.380 0.000 2.297 388 K HA 0.327 4.647 4.320 -0.000 0.000 0.286 388 K C -0.301 176.086 176.600 -0.355 0.000 1.053 388 K CA -0.101 56.033 56.287 -0.256 0.000 0.940 388 K CB 0.073 32.463 32.500 -0.184 0.000 1.019 388 K HN 0.335 nan 8.250 nan 0.000 0.475 389 F N 2.289 122.192 119.950 -0.078 0.000 2.399 389 F HA 0.258 4.786 4.527 0.001 0.000 0.334 389 F C 0.668 176.474 175.800 0.010 0.000 1.097 389 F CA -0.476 57.488 58.000 -0.061 0.000 1.076 389 F CB 1.111 40.060 39.000 -0.085 0.000 1.162 389 F HN 0.088 nan 8.300 nan 0.000 0.495 390 K N 5.452 125.968 120.400 0.193 0.000 2.425 390 K HA 0.503 4.823 4.320 -0.000 0.000 0.259 390 K C -1.140 175.561 176.600 0.169 0.000 0.978 390 K CA -0.299 56.084 56.287 0.160 0.000 0.883 390 K CB 1.769 34.320 32.500 0.085 0.000 1.110 390 K HN 0.571 nan 8.250 nan 0.000 0.436 391 L N 4.074 125.419 121.223 0.204 0.000 2.346 391 L HA 0.424 4.764 4.340 -0.000 0.000 0.274 391 L C -1.769 175.193 176.870 0.153 0.000 1.007 391 L CA -2.124 52.790 54.840 0.123 0.000 0.818 391 L CB 2.215 44.224 42.059 -0.083 0.000 1.284 391 L HN 0.257 nan 8.230 nan 0.000 0.424 392 P HA 0.133 nan 4.420 nan 0.000 0.246 392 P C -0.454 177.050 177.300 0.340 0.000 1.686 392 P CA 0.559 63.764 63.100 0.173 0.000 0.867 392 P CB 0.192 31.993 31.700 0.168 0.000 1.733 393 I N -0.677 120.178 120.570 0.474 0.000 2.722 393 I HA 0.330 4.500 4.170 -0.000 0.000 0.295 393 I C -0.964 175.475 176.117 0.535 0.000 1.161 393 I CA -1.230 60.313 61.300 0.405 0.000 1.032 393 I CB 2.905 41.018 38.000 0.188 0.000 1.244 393 I HN -0.300 nan 8.210 nan 0.000 0.421 394 Q N 4.840 124.741 119.800 0.168 0.000 2.314 394 Q HA 0.171 4.511 4.340 -0.000 0.000 0.258 394 Q C 0.749 176.908 176.000 0.265 0.000 0.954 394 Q CA 0.094 55.842 55.803 -0.092 0.000 0.890 394 Q CB 1.232 29.819 28.738 -0.252 0.000 1.210 394 Q HN 0.425 nan 8.270 nan 0.000 0.410 395 K N 2.454 122.986 120.400 0.219 0.000 2.113 395 K HA -0.255 4.065 4.320 -0.000 0.000 0.208 395 K C 1.330 178.119 176.600 0.315 0.000 1.047 395 K CA 1.852 58.318 56.287 0.299 0.000 0.928 395 K CB 0.111 32.567 32.500 -0.072 0.000 0.716 395 K HN 0.797 nan 8.250 nan 0.000 0.446 396 E N 0.330 120.621 120.200 0.150 0.000 2.107 396 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 396 E C 1.482 178.175 176.600 0.155 0.000 0.982 396 E CA 1.290 57.765 56.400 0.126 0.000 0.809 396 E CB 0.123 29.845 29.700 0.036 0.000 0.756 396 E HN 0.171 nan 8.360 nan 0.000 0.459 397 T N 0.162 114.805 114.554 0.148 0.000 2.708 397 T HA -0.192 4.157 4.350 -0.000 0.000 0.266 397 T C 1.092 175.929 174.700 0.229 0.000 1.037 397 T CA 1.455 63.632 62.100 0.128 0.000 1.146 397 T CB -0.506 68.414 68.868 0.087 0.000 0.865 397 T HN 0.443 nan 8.240 nan 0.000 0.435 398 W N 2.381 123.794 121.300 0.189 0.000 2.409 398 W HA -0.088 4.573 4.660 0.001 0.000 0.299 398 W C 2.437 179.172 176.519 0.359 0.000 1.203 398 W CA 1.324 58.830 57.345 0.269 0.000 1.298 398 W CB -0.039 29.579 29.460 0.263 0.000 1.127 398 W HN 0.473 nan 8.180 nan 0.000 0.528 399 E N -1.376 119.149 120.200 0.543 0.000 2.152 399 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 399 E C 1.812 178.497 176.600 0.142 0.000 0.983 399 E CA 1.753 58.369 56.400 0.359 0.000 0.818 399 E CB -0.843 29.075 29.700 0.362 0.000 0.758 399 E HN 0.038 nan 8.360 nan 0.000 0.467 400 T N 0.876 115.503 114.554 0.121 0.000 2.746 400 T HA -0.192 4.157 4.350 -0.000 0.000 0.267 400 T C 1.151 175.831 174.700 -0.034 0.000 1.039 400 T CA 1.452 63.577 62.100 0.041 0.000 1.142 400 T CB -0.445 68.449 68.868 0.043 0.000 0.866 400 T HN 0.471 nan 8.240 nan 0.000 0.444 401 W N -0.026 121.120 121.300 -0.255 0.000 2.407 401 W HA -0.074 4.586 4.660 -0.000 0.000 0.305 401 W C 1.467 177.665 176.519 -0.535 0.000 1.196 401 W CA 0.538 57.595 57.345 -0.481 0.000 1.311 401 W CB -0.535 28.504 29.460 -0.701 0.000 1.135 401 W HN 0.337 nan 8.180 nan 0.000 0.514 402 W N 1.219 122.193 121.300 -0.543 0.000 2.737 402 W HA -0.094 4.566 4.660 0.000 0.000 0.262 402 W C 2.921 179.221 176.519 -0.364 0.000 1.282 402 W CA 2.096 59.073 57.345 -0.613 0.000 1.386 402 W CB -0.391 28.574 29.460 -0.825 0.000 1.099 402 W HN -0.148 nan 8.180 nan 0.000 0.621 403 T N -2.775 111.749 114.554 -0.050 0.000 2.951 403 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 403 T C 1.339 175.986 174.700 -0.088 0.000 1.073 403 T CA 1.268 63.363 62.100 -0.010 0.000 1.134 403 T CB -0.164 68.722 68.868 0.030 0.000 0.884 403 T HN 0.167 nan 8.240 nan 0.000 0.479 404 E N -0.589 119.486 120.200 -0.208 0.000 2.340 404 E HA 0.149 4.499 4.350 -0.000 0.000 0.194 404 E C -0.062 176.333 176.600 -0.341 0.000 0.996 404 E CA -0.235 56.025 56.400 -0.234 0.000 0.869 404 E CB 0.130 29.684 29.700 -0.243 0.000 0.835 404 E HN 0.538 nan 8.360 nan 0.000 0.493 405 Y N 0.511 120.330 120.300 -0.801 0.000 2.326 405 Y HA -0.011 4.538 4.550 -0.000 0.000 0.333 405 Y C 0.507 176.088 175.900 -0.532 0.000 1.240 405 Y CA -1.109 56.333 58.100 -1.096 0.000 1.365 405 Y CB 0.418 37.750 38.460 -1.880 0.000 1.289 405 Y HN 0.017 nan 8.280 nan 0.000 0.548 406 W N 0.913 121.710 121.300 -0.839 0.000 2.863 406 W HA 0.245 4.905 4.660 0.000 0.000 0.258 406 W C -0.139 176.126 176.519 -0.424 0.000 1.298 406 W CA -0.215 56.819 57.345 -0.518 0.000 1.451 406 W CB -0.454 28.745 29.460 -0.436 0.000 1.107 406 W HN 0.243 nan 8.180 nan 0.000 0.641 407 Q N 1.374 120.823 119.800 -0.585 0.000 2.260 407 Q HA 0.484 4.824 4.340 -0.000 0.000 0.242 407 Q C -0.009 176.108 176.000 0.196 0.000 0.932 407 Q CA -0.056 55.717 55.803 -0.049 0.000 0.891 407 Q CB 1.402 30.176 28.738 0.060 0.000 1.222 407 Q HN 0.143 nan 8.270 nan 0.000 0.453 408 A N 1.256 124.182 122.820 0.177 0.000 2.340 408 A HA 0.580 4.900 4.320 -0.000 0.000 0.268 408 A C 0.144 177.762 177.584 0.057 0.000 1.100 408 A CA 0.018 52.138 52.037 0.139 0.000 0.803 408 A CB 0.952 19.999 19.000 0.078 0.000 1.043 408 A HN 0.642 nan 8.150 nan 0.000 0.488 409 T N 0.813 115.299 114.554 -0.114 0.000 2.754 409 T HA 0.660 5.010 4.350 -0.000 0.000 0.296 409 T C -2.221 172.498 174.700 0.033 0.000 1.205 409 T CA -0.367 61.542 62.100 -0.319 0.000 1.009 409 T CB 1.249 69.355 68.868 -1.270 0.000 1.368 409 T HN 1.104 nan 8.240 nan 0.000 0.509 410 W N 3.937 125.111 121.300 -0.211 0.000 4.117 410 W HA 0.407 5.066 4.660 -0.000 0.000 0.297 410 W C -2.174 174.261 176.519 -0.141 0.000 1.208 410 W CA -0.980 56.315 57.345 -0.083 0.000 1.327 410 W CB 0.360 29.792 29.460 -0.047 0.000 1.178 410 W HN 0.836 nan 8.180 nan 0.000 0.457 411 I N 4.745 124.881 120.570 -0.723 0.000 2.460 411 I HA 0.674 4.844 4.170 -0.000 0.000 0.298 411 I C -1.826 173.683 176.117 -1.013 0.000 0.989 411 I CA -2.506 58.331 61.300 -0.772 0.000 1.173 411 I CB 1.583 39.077 38.000 -0.843 0.000 1.338 411 I HN 0.041 nan 8.210 nan 0.000 0.456 412 P HA 0.035 nan 4.420 nan 0.000 0.274 412 P C -0.453 176.761 177.300 -0.144 0.000 1.264 412 P CA -0.223 62.717 63.100 -0.267 0.000 0.795 412 P CB 0.317 32.037 31.700 0.034 0.000 1.064 413 E N 0.253 120.424 120.200 -0.048 0.000 3.311 413 E HA -0.121 4.229 4.350 -0.000 0.000 0.264 413 E C -0.421 176.252 176.600 0.120 0.000 0.875 413 E CA 1.071 57.456 56.400 -0.025 0.000 0.969 413 E CB -0.100 29.587 29.700 -0.021 0.000 0.910 413 E HN 0.373 nan 8.360 nan 0.000 0.548 414 W N 2.703 123.892 121.300 -0.185 0.000 3.083 414 W HA 0.575 5.235 4.660 -0.001 0.000 0.333 414 W C -0.905 175.554 176.519 -0.100 0.000 1.217 414 W CA -0.981 56.290 57.345 -0.123 0.000 1.170 414 W CB 0.641 29.980 29.460 -0.203 0.000 1.437 414 W HN 0.286 nan 8.180 nan 0.000 0.557 415 E N 1.477 121.723 120.200 0.077 0.000 2.256 415 E HA 0.343 4.693 4.350 -0.000 0.000 0.267 415 E C -1.333 175.404 176.600 0.229 0.000 0.892 415 E CA -1.124 55.254 56.400 -0.037 0.000 0.775 415 E CB 2.981 32.669 29.700 -0.021 0.000 1.207 415 E HN 0.272 nan 8.360 nan 0.000 0.420 416 F N 2.836 122.817 119.950 0.052 0.000 2.518 416 F HA 0.252 4.780 4.527 0.001 0.000 0.359 416 F C -0.609 175.267 175.800 0.127 0.000 1.118 416 F CA -0.094 58.017 58.000 0.184 0.000 1.287 416 F CB 0.695 39.764 39.000 0.116 0.000 1.132 416 F HN 0.138 nan 8.300 nan 0.000 0.587 417 V N 6.782 126.228 119.914 -0.781 0.000 2.686 417 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 417 V C -0.975 174.520 176.094 -0.999 0.000 1.065 417 V CA -0.897 60.979 62.300 -0.706 0.000 0.894 417 V CB 1.660 33.355 31.823 -0.212 0.000 1.004 417 V HN 0.838 nan 8.190 nan 0.000 0.424 418 N N 4.332 122.587 118.700 -0.742 0.000 2.968 418 N HA 0.203 4.943 4.740 -0.000 0.000 0.271 418 N C -0.077 175.352 175.510 -0.136 0.000 1.174 418 N CA 0.308 53.132 53.050 -0.377 0.000 1.096 418 N CB 0.195 38.650 38.487 -0.054 0.000 1.403 418 N HN 0.884 nan 8.380 nan 0.000 0.522 419 T N 0.338 114.828 114.554 -0.107 0.000 3.250 419 T HA 0.447 4.797 4.350 -0.000 0.000 0.391 419 T C -2.637 172.070 174.700 0.011 0.000 1.502 419 T CA -1.918 60.162 62.100 -0.034 0.000 1.320 419 T CB 1.060 69.914 68.868 -0.024 0.000 1.102 419 T HN 0.082 nan 8.240 nan 0.000 0.610 420 P HA 0.219 nan 4.420 nan 0.000 0.269 420 P C -2.192 175.119 177.300 0.018 0.000 1.217 420 P CA -0.970 62.155 63.100 0.042 0.000 0.783 420 P CB -0.274 31.451 31.700 0.041 0.000 0.898 421 P HA 0.115 nan 4.420 nan 0.000 0.271 421 P C -0.470 176.875 177.300 0.076 0.000 1.220 421 P CA 0.263 63.388 63.100 0.042 0.000 0.768 421 P CB 0.461 32.176 31.700 0.026 0.000 0.848 422 L N 2.705 123.989 121.223 0.102 0.000 2.417 422 L HA 0.271 4.610 4.340 -0.000 0.000 0.268 422 L C 1.008 177.953 176.870 0.126 0.000 1.158 422 L CA -0.845 54.083 54.840 0.147 0.000 0.819 422 L CB 1.001 43.162 42.059 0.170 0.000 1.112 422 L HN 0.212 nan 8.230 nan 0.000 0.458 423 V N 3.159 123.170 119.914 0.161 0.000 2.465 423 V HA 0.455 4.575 4.120 -0.000 0.000 0.279 423 V C -0.438 175.672 176.094 0.025 0.000 1.045 423 V CA -0.192 62.190 62.300 0.136 0.000 0.938 423 V CB 1.169 33.118 31.823 0.210 0.000 0.986 423 V HN 0.899 nan 8.190 nan 0.000 0.467 424 K N 5.538 125.888 120.400 -0.084 0.000 2.536 424 K HA 0.634 4.954 4.320 -0.000 0.000 0.269 424 K C -1.424 174.996 176.600 -0.299 0.000 0.965 424 K CA -0.845 55.306 56.287 -0.227 0.000 0.860 424 K CB 1.578 33.854 32.500 -0.374 0.000 1.423 424 K HN 0.555 nan 8.250 nan 0.000 0.438 425 L N 1.728 122.793 121.223 -0.263 0.000 2.367 425 L HA 0.242 4.582 4.340 -0.000 0.000 0.275 425 L C 0.092 176.799 176.870 -0.272 0.000 1.129 425 L CA -0.247 54.457 54.840 -0.227 0.000 0.839 425 L CB 0.343 42.305 42.059 -0.161 0.000 1.133 425 L HN 0.673 nan 8.230 nan 0.000 0.453 426 W N 2.411 123.615 121.300 -0.160 0.000 2.812 426 W HA 0.052 4.712 4.660 -0.000 0.000 0.263 426 W C 0.159 176.732 176.519 0.090 0.000 1.284 426 W CA -0.027 57.305 57.345 -0.022 0.000 1.430 426 W CB 0.245 29.730 29.460 0.041 0.000 1.088 426 W HN 0.472 nan 8.180 nan 0.000 0.623 427 Y N -2.424 117.985 120.300 0.181 0.000 2.655 427 Y HA 0.641 5.191 4.550 0.000 0.000 0.336 427 Y C -0.796 175.149 175.900 0.075 0.000 1.154 427 Y CA -2.036 56.129 58.100 0.108 0.000 1.055 427 Y CB 0.508 39.031 38.460 0.105 0.000 1.295 427 Y HN -0.307 nan 8.280 nan 0.000 0.465 428 Q N 2.344 122.283 119.800 0.232 0.000 2.304 428 Q HA 0.464 4.804 4.340 -0.000 0.000 0.270 428 Q C -1.303 174.828 176.000 0.218 0.000 1.035 428 Q CA -0.808 55.080 55.803 0.141 0.000 0.781 428 Q CB 3.299 32.080 28.738 0.072 0.000 1.261 428 Q HN 0.769 nan 8.270 nan 0.000 0.444 429 L N 2.253 123.602 121.223 0.210 0.000 2.380 429 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 429 L C 0.855 177.811 176.870 0.144 0.000 1.138 429 L CA -0.337 54.607 54.840 0.173 0.000 0.832 429 L CB 0.353 42.498 42.059 0.143 0.000 1.124 429 L HN 0.393 nan 8.230 nan 0.000 0.454 430 E N 2.793 123.097 120.200 0.173 0.000 2.418 430 E HA -0.008 4.342 4.350 -0.000 0.000 0.261 430 E C 0.450 177.212 176.600 0.270 0.000 1.070 430 E CA 0.120 56.642 56.400 0.202 0.000 0.931 430 E CB 0.831 30.668 29.700 0.228 0.000 0.954 430 E HN 0.425 nan 8.360 nan 0.000 0.439 431 K N 0.930 121.446 120.400 0.193 0.000 2.323 431 K HA 0.078 4.398 4.320 -0.000 0.000 0.197 431 K C 0.177 176.905 176.600 0.214 0.000 1.043 431 K CA 0.447 56.849 56.287 0.192 0.000 0.997 431 K CB 0.591 33.149 32.500 0.097 0.000 0.807 431 K HN 0.354 nan 8.250 nan 0.000 0.497 432 E N 0.907 121.123 120.200 0.028 0.000 2.312 432 E HA 0.305 4.655 4.350 -0.000 0.000 0.267 432 E C -2.680 173.430 176.600 -0.816 0.000 0.894 432 E CA -2.498 53.727 56.400 -0.291 0.000 0.773 432 E CB 1.937 31.542 29.700 -0.157 0.000 1.241 432 E HN -0.110 nan 8.360 nan 0.000 0.432 433 P HA 0.113 nan 4.420 nan 0.000 0.267 433 P C -0.115 176.954 177.300 -0.385 0.000 1.200 433 P CA 0.175 62.656 63.100 -1.032 0.000 0.772 433 P CB 0.537 31.857 31.700 -0.634 0.000 0.855 434 I N 1.884 122.336 120.570 -0.197 0.000 2.342 434 I HA 0.153 4.323 4.170 -0.000 0.000 0.291 434 I C 0.566 176.651 176.117 -0.054 0.000 1.010 434 I CA -1.007 60.243 61.300 -0.083 0.000 1.308 434 I CB 1.172 39.162 38.000 -0.016 0.000 1.400 434 I HN 0.028 nan 8.210 nan 0.000 0.488 435 V N 5.855 125.742 119.914 -0.045 0.000 2.614 435 V HA 0.286 4.406 4.120 -0.000 0.000 0.291 435 V C 1.200 177.289 176.094 -0.009 0.000 1.049 435 V CA 0.675 62.960 62.300 -0.026 0.000 1.038 435 V CB 0.735 32.543 31.823 -0.024 0.000 0.980 435 V HN 1.138 nan 8.190 nan 0.000 0.481 436 G N 3.682 112.482 108.800 -0.000 0.000 2.153 436 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.252 436 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.252 436 G C 0.191 175.101 174.900 0.016 0.000 0.994 436 G CA 0.159 45.264 45.100 0.007 0.000 0.698 436 G HN 1.529 nan 8.290 nan 0.000 0.521 437 A N -0.304 122.528 122.820 0.021 0.000 2.318 437 A HA 0.766 5.086 4.320 -0.000 0.000 0.324 437 A C 0.229 177.849 177.584 0.060 0.000 1.170 437 A CA 0.061 52.123 52.037 0.040 0.000 0.810 437 A CB 0.917 19.940 19.000 0.039 0.000 1.198 437 A HN 0.576 nan 8.150 nan 0.000 0.484 438 E N 1.080 121.332 120.200 0.088 0.000 2.442 438 E HA 0.155 4.505 4.350 -0.000 0.000 0.262 438 E C -0.600 176.093 176.600 0.154 0.000 1.004 438 E CA 0.496 56.954 56.400 0.098 0.000 0.928 438 E CB 0.413 30.193 29.700 0.134 0.000 0.937 438 E HN 0.524 nan 8.360 nan 0.000 0.446 439 T N 5.330 119.936 114.554 0.088 0.000 2.801 439 T HA 0.267 4.617 4.350 -0.000 0.000 0.306 439 T C -0.875 173.874 174.700 0.082 0.000 1.020 439 T CA -0.434 61.722 62.100 0.094 0.000 0.948 439 T CB -0.126 68.769 68.868 0.045 0.000 0.962 439 T HN 0.220 nan 8.240 nan 0.000 0.465 440 F N 2.808 122.694 119.950 -0.107 0.000 2.424 440 F HA 0.330 4.857 4.527 -0.000 0.000 0.356 440 F C 0.177 175.931 175.800 -0.076 0.000 1.110 440 F CA -1.251 56.700 58.000 -0.081 0.000 1.161 440 F CB 0.279 39.143 39.000 -0.226 0.000 1.115 440 F HN 0.505 nan 8.300 nan 0.000 0.507 441 Y N 3.471 123.853 120.300 0.138 0.000 2.535 441 Y HA 0.404 4.954 4.550 -0.000 0.000 0.349 441 Y C 0.338 176.328 175.900 0.150 0.000 0.992 441 Y CA -0.993 57.169 58.100 0.103 0.000 1.248 441 Y CB 0.374 38.858 38.460 0.041 0.000 1.124 441 Y HN 0.400 nan 8.280 nan 0.000 0.520 442 V N -0.184 119.867 119.914 0.229 0.000 2.997 442 V HA 0.761 4.881 4.120 -0.000 0.000 0.311 442 V C -0.433 175.747 176.094 0.143 0.000 1.066 442 V CA -0.391 62.044 62.300 0.224 0.000 1.039 442 V CB 2.048 33.977 31.823 0.177 0.000 1.081 442 V HN 0.586 nan 8.190 nan 0.000 0.467 443 D N -0.209 120.267 120.400 0.127 0.000 2.694 443 D HA 0.689 5.329 4.640 -0.000 0.000 0.260 443 D C -0.674 175.671 176.300 0.076 0.000 1.250 443 D CA 0.504 54.551 54.000 0.079 0.000 0.763 443 D CB 1.995 42.821 40.800 0.044 0.000 1.311 443 D HN 1.220 nan 8.370 nan 0.000 0.420 444 G N -0.501 108.339 108.800 0.066 0.000 2.733 444 G HA2 0.827 4.787 3.960 -0.000 0.000 0.297 444 G HA3 0.827 4.787 3.960 -0.000 0.000 0.297 444 G C -1.726 173.209 174.900 0.058 0.000 1.422 444 G CA -0.093 45.046 45.100 0.065 0.000 0.942 444 G HN 0.609 nan 8.290 nan 0.000 0.510 445 A N -0.265 122.586 122.820 0.051 0.000 2.547 445 A HA 0.980 5.300 4.320 -0.000 0.000 0.297 445 A C -0.560 177.048 177.584 0.040 0.000 1.056 445 A CA -0.002 52.065 52.037 0.050 0.000 0.688 445 A CB 1.627 20.659 19.000 0.054 0.000 1.282 445 A HN 2.340 nan 8.150 nan 0.000 0.400 446 A N 1.614 124.455 122.820 0.036 0.000 2.356 446 A HA 0.694 5.014 4.320 -0.000 0.000 0.310 446 A C -0.349 177.249 177.584 0.022 0.000 1.075 446 A CA -0.576 51.477 52.037 0.027 0.000 0.746 446 A CB 0.725 19.738 19.000 0.022 0.000 1.221 446 A HN 1.040 nan 8.150 nan 0.000 0.443 447 N N 1.084 119.795 118.700 0.018 0.000 2.452 447 N HA 0.152 4.891 4.740 -0.000 0.000 0.266 447 N C 1.065 176.581 175.510 0.010 0.000 1.209 447 N CA -0.251 52.807 53.050 0.014 0.000 0.929 447 N CB 0.603 39.097 38.487 0.012 0.000 1.063 447 N HN 0.607 nan 8.380 nan 0.000 0.472 448 R N 2.161 122.666 120.500 0.009 0.000 2.091 448 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 448 R C 1.180 177.483 176.300 0.004 0.000 1.136 448 R CA 1.615 57.718 56.100 0.005 0.000 0.959 448 R CB -0.065 30.237 30.300 0.004 0.000 0.856 448 R HN 0.680 nan 8.270 nan 0.000 0.437 449 E N -1.470 118.733 120.200 0.004 0.000 2.042 449 E HA -0.010 4.340 4.350 -0.000 0.000 0.189 449 E C 1.951 178.554 176.600 0.005 0.000 0.974 449 E CA 1.659 58.061 56.400 0.004 0.000 0.806 449 E CB -0.357 29.345 29.700 0.003 0.000 0.769 449 E HN 0.151 nan 8.360 nan 0.000 0.451 450 T N 0.507 115.065 114.554 0.006 0.000 2.778 450 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 450 T C 0.700 175.405 174.700 0.007 0.000 1.050 450 T CA 1.537 63.640 62.100 0.006 0.000 1.137 450 T CB -0.203 68.670 68.868 0.007 0.000 0.860 450 T HN 0.060 nan 8.240 nan 0.000 0.468 451 K N -0.438 119.966 120.400 0.008 0.000 3.193 451 K HA -0.132 4.188 4.320 -0.000 0.000 0.294 451 K C -0.302 176.304 176.600 0.011 0.000 1.185 451 K CA 0.348 56.641 56.287 0.009 0.000 0.866 451 K CB -1.880 30.624 32.500 0.007 0.000 1.227 451 K HN 0.557 nan 8.250 nan 0.000 0.467 452 L N -1.463 119.767 121.223 0.012 0.000 2.342 452 L HA 0.795 5.135 4.340 -0.000 0.000 0.271 452 L C 0.327 177.207 176.870 0.017 0.000 1.008 452 L CA -0.078 54.771 54.840 0.014 0.000 0.818 452 L CB 1.871 43.937 42.059 0.012 0.000 1.296 452 L HN 0.076 nan 8.230 nan 0.000 0.427 453 G N 2.345 111.157 108.800 0.020 0.000 2.866 453 G HA2 0.543 4.503 3.960 -0.000 0.000 0.289 453 G HA3 0.543 4.503 3.960 -0.000 0.000 0.289 453 G C -1.891 173.023 174.900 0.024 0.000 1.396 453 G CA -0.766 44.348 45.100 0.023 0.000 0.848 453 G HN 0.557 nan 8.290 nan 0.000 0.515 454 K N -0.850 119.566 120.400 0.026 0.000 2.426 454 K HA 0.729 5.049 4.320 -0.000 0.000 0.251 454 K C -1.052 175.568 176.600 0.033 0.000 0.941 454 K CA -0.701 55.600 56.287 0.023 0.000 0.808 454 K CB 2.695 35.202 32.500 0.013 0.000 1.265 454 K HN 0.741 nan 8.250 nan 0.000 0.432 455 A N 1.029 123.869 122.820 0.032 0.000 2.422 455 A HA 0.898 5.218 4.320 -0.000 0.000 0.302 455 A C -0.653 176.946 177.584 0.026 0.000 1.041 455 A CA -0.413 51.654 52.037 0.049 0.000 0.708 455 A CB 1.855 20.900 19.000 0.075 0.000 1.257 455 A HN 0.793 nan 8.150 nan 0.000 0.414 456 G N -0.200 108.624 108.800 0.039 0.000 2.561 456 G HA2 0.737 4.697 3.960 -0.000 0.000 0.310 456 G HA3 0.737 4.697 3.960 -0.000 0.000 0.310 456 G C -1.500 173.455 174.900 0.092 0.000 1.292 456 G CA 0.174 45.252 45.100 -0.038 0.000 0.811 456 G HN 1.986 nan 8.290 nan 0.000 0.482 457 Y N -2.646 117.711 120.300 0.095 0.000 2.624 457 Y HA 0.788 5.338 4.550 -0.000 0.000 0.334 457 Y C -1.253 174.684 175.900 0.061 0.000 1.155 457 Y CA -1.620 56.556 58.100 0.127 0.000 1.046 457 Y CB 1.034 39.651 38.460 0.261 0.000 1.316 457 Y HN 0.581 nan 8.280 nan 0.000 0.457 458 V N 1.518 121.637 119.914 0.341 0.000 2.715 458 V HA 0.743 4.863 4.120 -0.000 0.000 0.310 458 V C -0.378 175.808 176.094 0.153 0.000 1.054 458 V CA -0.546 61.866 62.300 0.188 0.000 0.928 458 V CB 2.095 33.944 31.823 0.044 0.000 1.007 458 V HN 0.989 nan 8.190 nan 0.000 0.437 459 T N 2.437 116.990 114.554 -0.001 0.000 2.932 459 T HA 0.250 4.600 4.350 -0.000 0.000 0.289 459 T C 1.120 175.787 174.700 -0.055 0.000 1.039 459 T CA -0.507 61.504 62.100 -0.149 0.000 1.024 459 T CB 1.261 69.884 68.868 -0.409 0.000 1.090 459 T HN 0.867 nan 8.240 nan 0.000 0.496 460 N N 1.772 120.467 118.700 -0.008 0.000 2.459 460 N HA -0.091 4.648 4.740 -0.000 0.000 0.181 460 N C 0.963 176.456 175.510 -0.027 0.000 1.046 460 N CA 0.673 53.730 53.050 0.012 0.000 0.904 460 N CB 0.074 38.605 38.487 0.073 0.000 0.964 460 N HN 0.439 nan 8.380 nan 0.000 0.444 461 R N -0.151 120.313 120.500 -0.061 0.000 2.391 461 R HA 0.173 4.513 4.340 -0.000 0.000 0.249 461 R C 0.746 177.014 176.300 -0.054 0.000 0.957 461 R CA 0.402 56.469 56.100 -0.054 0.000 1.093 461 R CB -0.017 30.245 30.300 -0.063 0.000 1.156 461 R HN 0.403 nan 8.270 nan 0.000 0.526 462 G N 1.467 110.234 108.800 -0.055 0.000 2.184 462 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.264 462 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.264 462 G C 0.364 175.244 174.900 -0.033 0.000 0.975 462 G CA 0.356 45.432 45.100 -0.042 0.000 0.642 462 G HN 0.375 nan 8.290 nan 0.000 0.536 463 R N 0.773 121.246 120.500 -0.044 0.000 2.707 463 R HA 0.583 4.923 4.340 -0.000 0.000 0.270 463 R C 0.468 176.808 176.300 0.065 0.000 1.083 463 R CA 0.741 56.843 56.100 0.003 0.000 1.182 463 R CB 0.273 30.562 30.300 -0.019 0.000 1.084 463 R HN 0.660 nan 8.270 nan 0.000 0.528 464 Q N 1.148 121.004 119.800 0.092 0.000 2.666 464 Q HA 0.281 4.621 4.340 -0.000 0.000 0.276 464 Q C -2.046 173.786 176.000 -0.280 0.000 0.952 464 Q CA -1.038 54.724 55.803 -0.068 0.000 0.850 464 Q CB 1.409 30.103 28.738 -0.073 0.000 1.512 464 Q HN 0.546 nan 8.270 nan 0.000 0.395 465 K N 1.455 121.452 120.400 -0.671 0.000 2.568 465 K HA 0.702 5.022 4.320 -0.000 0.000 0.273 465 K C -2.040 174.308 176.600 -0.419 0.000 0.951 465 K CA -0.622 55.371 56.287 -0.490 0.000 0.854 465 K CB 2.639 34.851 32.500 -0.479 0.000 1.424 465 K HN 0.468 nan 8.250 nan 0.000 0.427 466 V N 2.551 122.336 119.914 -0.215 0.000 2.808 466 V HA 0.525 4.644 4.120 -0.000 0.000 0.308 466 V C -0.779 175.270 176.094 -0.076 0.000 1.099 466 V CA -0.839 61.383 62.300 -0.131 0.000 0.920 466 V CB 1.719 33.489 31.823 -0.088 0.000 1.014 466 V HN 0.618 nan 8.190 nan 0.000 0.425 467 V N 0.697 120.587 119.914 -0.041 0.000 2.823 467 V HA 0.816 4.936 4.120 -0.000 0.000 0.312 467 V C -0.250 175.845 176.094 0.002 0.000 1.072 467 V CA -0.415 61.878 62.300 -0.013 0.000 0.937 467 V CB 2.078 33.904 31.823 0.005 0.000 1.013 467 V HN 0.776 nan 8.190 nan 0.000 0.430 468 T N 5.064 119.622 114.554 0.006 0.000 2.837 468 T HA 0.729 5.078 4.350 -0.000 0.000 0.285 468 T C -0.403 174.309 174.700 0.020 0.000 0.984 468 T CA -0.224 61.882 62.100 0.011 0.000 1.049 468 T CB 0.962 69.834 68.868 0.007 0.000 0.947 468 T HN 0.645 nan 8.240 nan 0.000 0.472 469 L N 2.838 124.075 121.223 0.023 0.000 2.381 469 L HA 0.572 4.912 4.340 -0.000 0.000 0.268 469 L C 0.693 177.577 176.870 0.023 0.000 0.997 469 L CA -1.017 53.839 54.840 0.028 0.000 0.818 469 L CB 2.351 44.432 42.059 0.037 0.000 1.310 469 L HN 0.726 nan 8.230 nan 0.000 0.416 470 T N -2.739 111.829 114.554 0.022 0.000 2.934 470 T HA 0.238 4.588 4.350 -0.000 0.000 0.283 470 T C 0.441 175.152 174.700 0.018 0.000 1.005 470 T CA -0.130 61.981 62.100 0.018 0.000 1.041 470 T CB 1.367 70.244 68.868 0.016 0.000 1.042 470 T HN 0.873 nan 8.240 nan 0.000 0.505 471 D N -0.961 119.448 120.400 0.015 0.000 2.955 471 D HA -0.223 4.417 4.640 -0.000 0.000 0.226 471 D C -0.135 176.174 176.300 0.016 0.000 1.178 471 D CA 1.643 55.651 54.000 0.014 0.000 0.808 471 D CB -1.841 38.967 40.800 0.013 0.000 1.099 471 D HN 0.725 nan 8.370 nan 0.000 0.421 472 T N -0.394 114.171 114.554 0.018 0.000 2.928 472 T HA 0.568 4.918 4.350 -0.000 0.000 0.284 472 T C 0.337 175.047 174.700 0.016 0.000 1.008 472 T CA 0.411 62.524 62.100 0.022 0.000 1.057 472 T CB 1.549 70.435 68.868 0.030 0.000 1.018 472 T HN 0.426 nan 8.240 nan 0.000 0.493 473 T N 1.619 116.181 114.554 0.013 0.000 2.948 473 T HA 0.396 4.746 4.350 -0.000 0.000 0.285 473 T C 1.394 176.097 174.700 0.006 0.000 1.019 473 T CA -0.885 61.215 62.100 0.001 0.000 1.013 473 T CB 0.935 69.791 68.868 -0.020 0.000 1.117 473 T HN 0.601 nan 8.240 nan 0.000 0.533 474 N N 0.325 119.023 118.700 -0.002 0.000 2.149 474 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 474 N C 1.903 177.421 175.510 0.013 0.000 1.019 474 N CA 1.366 54.424 53.050 0.013 0.000 0.857 474 N CB -0.084 38.410 38.487 0.012 0.000 0.997 474 N HN 0.649 nan 8.380 nan 0.000 0.426 475 Q N 0.929 120.696 119.800 -0.055 0.000 2.050 475 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 475 Q C 1.802 177.858 176.000 0.094 0.000 0.980 475 Q CA 1.336 57.081 55.803 -0.098 0.000 0.840 475 Q CB -0.000 28.467 28.738 -0.451 0.000 0.898 475 Q HN 0.243 nan 8.270 nan 0.000 0.424 476 K N -0.093 120.345 120.400 0.063 0.000 2.097 476 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 476 K C 2.216 178.875 176.600 0.097 0.000 1.049 476 K CA 1.745 58.089 56.287 0.094 0.000 0.933 476 K CB -0.241 32.295 32.500 0.060 0.000 0.717 476 K HN 0.350 nan 8.250 nan 0.000 0.442 477 T N -1.427 113.176 114.554 0.081 0.000 2.951 477 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 477 T C 1.617 176.378 174.700 0.101 0.000 1.073 477 T CA 0.978 63.127 62.100 0.082 0.000 1.134 477 T CB -0.097 68.809 68.868 0.064 0.000 0.884 477 T HN 0.207 nan 8.240 nan 0.000 0.479 478 E N 0.585 120.858 120.200 0.120 0.000 2.158 478 E HA 0.117 4.467 4.350 -0.000 0.000 0.191 478 E C 2.123 178.801 176.600 0.130 0.000 0.982 478 E CA 0.392 56.873 56.400 0.134 0.000 0.823 478 E CB -0.072 29.730 29.700 0.170 0.000 0.766 478 E HN 0.316 nan 8.360 nan 0.000 0.468 479 L N 0.727 122.033 121.223 0.139 0.000 2.093 479 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 479 L C 2.461 179.397 176.870 0.110 0.000 1.085 479 L CA 1.409 56.305 54.840 0.093 0.000 0.755 479 L CB -0.580 41.527 42.059 0.079 0.000 0.904 479 L HN 0.208 nan 8.230 nan 0.000 0.435 480 Q N 0.050 119.926 119.800 0.127 0.000 2.079 480 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 480 Q C 2.235 178.344 176.000 0.182 0.000 0.974 480 Q CA 1.901 57.806 55.803 0.171 0.000 0.840 480 Q CB -0.122 28.697 28.738 0.135 0.000 0.898 480 Q HN 0.417 nan 8.270 nan 0.000 0.430 481 A N 0.028 122.935 122.820 0.144 0.000 1.933 481 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 481 A C 2.059 179.731 177.584 0.147 0.000 1.175 481 A CA 1.389 53.517 52.037 0.152 0.000 0.628 481 A CB -0.671 18.411 19.000 0.137 0.000 0.814 481 A HN 0.469 nan 8.150 nan 0.000 0.444 482 I N -2.003 118.635 120.570 0.113 0.000 2.315 482 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 482 I C 2.431 178.589 176.117 0.069 0.000 1.117 482 I CA 1.272 62.607 61.300 0.058 0.000 1.404 482 I CB -0.326 37.693 38.000 0.031 0.000 1.071 482 I HN 0.509 nan 8.210 nan 0.000 0.419 483 Y N 1.635 121.920 120.300 -0.025 0.000 2.242 483 Y HA -0.185 4.365 4.550 -0.000 0.000 0.291 483 Y C 2.248 178.132 175.900 -0.027 0.000 1.137 483 Y CA 1.318 59.395 58.100 -0.039 0.000 1.181 483 Y CB -0.363 38.087 38.460 -0.016 0.000 0.989 483 Y HN 0.029 nan 8.280 nan 0.000 0.527 484 L N -0.566 120.629 121.223 -0.046 0.000 2.017 484 L HA -0.253 4.086 4.340 -0.000 0.000 0.208 484 L C 2.720 179.529 176.870 -0.100 0.000 1.073 484 L CA 1.396 56.204 54.840 -0.053 0.000 0.745 484 L CB -1.033 41.143 42.059 0.195 0.000 0.894 484 L HN 0.325 nan 8.230 nan 0.000 0.432 485 A N -0.094 122.630 122.820 -0.160 0.000 1.940 485 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 485 A C 2.187 179.305 177.584 -0.777 0.000 1.176 485 A CA 1.542 53.170 52.037 -0.681 0.000 0.631 485 A CB -0.625 18.049 19.000 -0.544 0.000 0.814 485 A HN 0.410 nan 8.150 nan 0.000 0.446 486 L N -1.499 119.472 121.223 -0.420 0.000 2.179 486 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 486 L C 2.785 179.483 176.870 -0.288 0.000 1.096 486 L CA 1.091 55.734 54.840 -0.327 0.000 0.779 486 L CB -0.400 41.560 42.059 -0.164 0.000 0.922 486 L HN 0.469 nan 8.230 nan 0.000 0.443 487 Q N -0.250 119.354 119.800 -0.326 0.000 2.167 487 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 487 Q C 0.769 176.668 176.000 -0.167 0.000 0.970 487 Q CA 1.180 56.816 55.803 -0.279 0.000 0.855 487 Q CB 0.269 28.757 28.738 -0.417 0.000 0.911 487 Q HN 0.426 nan 8.270 nan 0.000 0.438 488 D N -0.571 119.730 120.400 -0.165 0.000 2.398 488 D HA 0.037 4.677 4.640 -0.000 0.000 0.210 488 D C 0.042 176.340 176.300 -0.003 0.000 1.094 488 D CA 0.156 54.144 54.000 -0.020 0.000 0.839 488 D CB 0.495 41.395 40.800 0.167 0.000 0.963 488 D HN 0.106 nan 8.370 nan 0.000 0.506 489 S N -1.040 114.546 115.700 -0.191 0.000 2.718 489 S HA 0.750 5.220 4.470 -0.000 0.000 0.300 489 S C 0.768 175.332 174.600 -0.059 0.000 1.117 489 S CA -0.732 57.397 58.200 -0.119 0.000 1.002 489 S CB 2.075 65.006 63.200 -0.449 0.000 1.092 489 S HN 0.015 nan 8.310 nan 0.000 0.542 490 G N -0.402 108.396 108.800 -0.003 0.000 2.508 490 G HA2 0.413 4.373 3.960 -0.000 0.000 0.278 490 G HA3 0.413 4.373 3.960 -0.000 0.000 0.278 490 G C 0.692 175.578 174.900 -0.023 0.000 1.389 490 G CA -0.943 44.154 45.100 -0.004 0.000 1.050 490 G HN 0.715 nan 8.290 nan 0.000 0.522 491 L N -0.694 120.524 121.223 -0.009 0.000 2.191 491 L HA 0.057 4.397 4.340 -0.000 0.000 0.212 491 L C 1.114 177.980 176.870 -0.006 0.000 1.103 491 L CA 1.110 55.945 54.840 -0.008 0.000 0.769 491 L CB -0.315 41.746 42.059 0.004 0.000 0.908 491 L HN 0.430 nan 8.230 nan 0.000 0.438 492 E N -0.417 119.784 120.200 0.003 0.000 2.195 492 E HA 0.560 4.910 4.350 -0.000 0.000 0.271 492 E C -1.151 175.456 176.600 0.010 0.000 0.923 492 E CA -0.359 56.047 56.400 0.010 0.000 0.790 492 E CB 3.207 32.919 29.700 0.019 0.000 1.155 492 E HN -0.175 nan 8.360 nan 0.000 0.402 493 V N 2.806 122.728 119.914 0.012 0.000 2.950 493 V HA 0.238 4.358 4.120 -0.000 0.000 0.295 493 V C -1.906 174.215 176.094 0.045 0.000 1.297 493 V CA -0.803 61.506 62.300 0.014 0.000 0.962 493 V CB 2.197 33.960 31.823 -0.100 0.000 1.081 493 V HN 0.662 nan 8.190 nan 0.000 0.432 494 N N 6.033 124.786 118.700 0.087 0.000 2.430 494 N HA 0.662 5.402 4.740 -0.000 0.000 0.292 494 N C -0.995 174.545 175.510 0.050 0.000 1.051 494 N CA -0.213 52.906 53.050 0.114 0.000 0.917 494 N CB 2.281 40.843 38.487 0.125 0.000 1.164 494 N HN 0.645 nan 8.380 nan 0.000 0.484 495 I N 1.389 121.955 120.570 -0.008 0.000 2.466 495 I HA 0.287 4.457 4.170 -0.000 0.000 0.289 495 I C -0.644 175.402 176.117 -0.119 0.000 1.026 495 I CA -0.964 60.297 61.300 -0.065 0.000 1.078 495 I CB 2.218 40.164 38.000 -0.091 0.000 1.249 495 I HN -0.010 nan 8.210 nan 0.000 0.429 496 V N 4.748 124.548 119.914 -0.189 0.000 2.350 496 V HA 0.403 4.523 4.120 -0.000 0.000 0.285 496 V C 0.098 176.129 176.094 -0.105 0.000 1.014 496 V CA -0.328 61.840 62.300 -0.222 0.000 0.831 496 V CB 1.546 33.058 31.823 -0.518 0.000 1.000 496 V HN 0.812 nan 8.190 nan 0.000 0.433 497 T N 1.729 116.247 114.554 -0.060 0.000 2.940 497 T HA 0.475 4.825 4.350 -0.000 0.000 0.288 497 T C 0.092 174.717 174.700 -0.126 0.000 1.045 497 T CA -0.352 61.736 62.100 -0.020 0.000 1.018 497 T CB 1.709 70.608 68.868 0.052 0.000 1.151 497 T HN 0.860 nan 8.240 nan 0.000 0.529 498 D N 0.186 120.513 120.400 -0.122 0.000 2.535 498 D HA 0.182 4.822 4.640 -0.000 0.000 0.229 498 D C 0.072 176.467 176.300 0.159 0.000 1.238 498 D CA -0.268 53.541 54.000 -0.319 0.000 0.824 498 D CB -0.017 40.571 40.800 -0.353 0.000 1.045 498 D HN 0.239 nan 8.370 nan 0.000 0.500 499 S N 0.665 116.527 115.700 0.271 0.000 2.415 499 S HA 0.103 4.572 4.470 -0.000 0.000 0.313 499 S C 1.114 175.934 174.600 0.366 0.000 1.067 499 S CA -0.523 57.872 58.200 0.324 0.000 1.099 499 S CB 1.036 64.378 63.200 0.237 0.000 0.991 499 S HN 0.269 nan 8.310 nan 0.000 0.491 500 Q N 4.463 124.464 119.800 0.335 0.000 2.112 500 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 500 Q C 1.429 177.454 176.000 0.042 0.000 0.987 500 Q CA 2.143 57.941 55.803 -0.008 0.000 0.858 500 Q CB -0.374 28.273 28.738 -0.152 0.000 0.905 500 Q HN 0.977 nan 8.270 nan 0.000 0.420 501 Y N 0.413 120.727 120.300 0.023 0.000 2.081 501 Y HA -0.318 4.232 4.550 -0.000 0.000 0.280 501 Y C 2.085 178.002 175.900 0.028 0.000 1.163 501 Y CA 2.194 60.309 58.100 0.026 0.000 1.135 501 Y CB -0.832 37.657 38.460 0.048 0.000 0.970 501 Y HN 0.231 nan 8.280 nan 0.000 0.498 502 A N 0.150 122.912 122.820 -0.097 0.000 1.902 502 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 502 A C 2.240 179.738 177.584 -0.142 0.000 1.181 502 A CA 1.634 53.549 52.037 -0.203 0.000 0.623 502 A CB -1.320 17.685 19.000 0.009 0.000 0.818 502 A HN 0.583 nan 8.150 nan 0.000 0.443 503 L N 0.260 121.460 121.223 -0.039 0.000 1.990 503 L HA -0.123 4.217 4.340 -0.000 0.000 0.213 503 L C 2.457 179.286 176.870 -0.069 0.000 1.072 503 L CA 2.527 57.346 54.840 -0.035 0.000 0.755 503 L CB -1.143 40.904 42.059 -0.019 0.000 0.889 503 L HN 0.335 nan 8.230 nan 0.000 0.432 504 G N -0.224 108.505 108.800 -0.119 0.000 2.491 504 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.218 504 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.218 504 G C 1.628 176.554 174.900 0.043 0.000 1.180 504 G CA 1.411 46.461 45.100 -0.084 0.000 0.774 504 G HN 0.506 nan 8.290 nan 0.000 0.562 505 I N 0.725 121.228 120.570 -0.112 0.000 2.127 505 I HA -0.186 3.984 4.170 -0.000 0.000 0.241 505 I C 2.602 178.716 176.117 -0.004 0.000 1.075 505 I CA 0.874 62.101 61.300 -0.122 0.000 1.334 505 I CB -0.256 37.478 38.000 -0.442 0.000 1.040 505 I HN 0.101 nan 8.210 nan 0.000 0.405 506 I N 0.247 120.805 120.570 -0.020 0.000 2.286 506 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 506 I C 2.545 178.757 176.117 0.158 0.000 1.104 506 I CA 1.377 62.708 61.300 0.051 0.000 1.397 506 I CB -1.437 36.561 38.000 -0.003 0.000 1.072 506 I HN 0.314 nan 8.210 nan 0.000 0.417 507 Q N 1.291 121.192 119.800 0.168 0.000 2.197 507 Q HA -0.138 4.202 4.340 -0.000 0.000 0.207 507 Q C 1.985 178.179 176.000 0.324 0.000 0.984 507 Q CA 2.148 58.110 55.803 0.265 0.000 0.869 507 Q CB -0.158 28.764 28.738 0.306 0.000 0.906 507 Q HN 0.509 nan 8.270 nan 0.000 0.426 508 A N -0.405 122.628 122.820 0.355 0.000 2.238 508 A HA -0.017 4.303 4.320 -0.000 0.000 0.208 508 A C -0.076 177.616 177.584 0.180 0.000 1.177 508 A CA 0.389 52.548 52.037 0.202 0.000 0.804 508 A CB -0.144 19.050 19.000 0.322 0.000 0.823 508 A HN 0.513 nan 8.150 nan 0.000 0.482 509 Q N -1.052 118.854 119.800 0.177 0.000 2.452 509 Q HA -0.133 4.207 4.340 -0.000 0.000 0.318 509 Q C -2.238 173.750 176.000 -0.020 0.000 1.386 509 Q CA 0.441 56.281 55.803 0.060 0.000 0.872 509 Q CB -1.828 26.856 28.738 -0.090 0.000 1.151 509 Q HN 0.574 nan 8.270 nan 0.000 0.417 510 P HA -0.048 nan 4.420 nan 0.000 0.268 510 P C 0.034 177.393 177.300 0.099 0.000 1.204 510 P CA 0.579 63.719 63.100 0.067 0.000 0.768 510 P CB 0.601 32.366 31.700 0.107 0.000 0.842 511 D N 0.669 121.076 120.400 0.012 0.000 2.433 511 D HA 0.031 4.671 4.640 -0.000 0.000 0.211 511 D C 0.235 176.501 176.300 -0.056 0.000 1.114 511 D CA 0.120 54.117 54.000 -0.005 0.000 0.837 511 D CB 0.232 41.013 40.800 -0.032 0.000 0.984 511 D HN 0.521 nan 8.370 nan 0.000 0.505 512 Q N -1.544 118.249 119.800 -0.011 0.000 2.386 512 Q HA 0.603 4.943 4.340 -0.000 0.000 0.274 512 Q C -1.569 174.456 176.000 0.042 0.000 1.011 512 Q CA -0.941 54.855 55.803 -0.012 0.000 0.867 512 Q CB 1.863 30.588 28.738 -0.021 0.000 1.409 512 Q HN -0.053 nan 8.270 nan 0.000 0.395 513 S N 0.233 115.960 115.700 0.045 0.000 2.607 513 S HA 0.286 4.756 4.470 -0.000 0.000 0.273 513 S C -0.291 174.344 174.600 0.060 0.000 1.148 513 S CA -0.384 57.882 58.200 0.111 0.000 0.833 513 S CB 2.060 65.389 63.200 0.215 0.000 1.130 513 S HN 0.747 nan 8.310 nan 0.000 0.470 514 E N 0.748 120.980 120.200 0.054 0.000 2.216 514 E HA 0.060 4.410 4.350 -0.000 0.000 0.192 514 E C 0.273 176.901 176.600 0.047 0.000 0.988 514 E CA 0.318 56.731 56.400 0.022 0.000 0.834 514 E CB 0.156 29.845 29.700 -0.018 0.000 0.772 514 E HN 0.408 nan 8.360 nan 0.000 0.479 515 S N 0.552 116.317 115.700 0.108 0.000 2.523 515 S HA 0.003 4.473 4.470 -0.000 0.000 0.275 515 S C 0.890 175.501 174.600 0.019 0.000 1.281 515 S CA -0.424 57.827 58.200 0.085 0.000 1.050 515 S CB 1.240 64.528 63.200 0.147 0.000 0.937 515 S HN 0.092 nan 8.310 nan 0.000 0.492 516 E N 4.170 124.364 120.200 -0.009 0.000 2.085 516 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 516 E C 1.715 178.251 176.600 -0.107 0.000 0.994 516 E CA 1.554 57.925 56.400 -0.049 0.000 0.801 516 E CB -0.287 29.388 29.700 -0.042 0.000 0.743 516 E HN 0.811 nan 8.360 nan 0.000 0.453 517 L N -0.441 120.714 121.223 -0.113 0.000 1.989 517 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 517 L C 2.301 179.031 176.870 -0.234 0.000 1.071 517 L CA 1.353 56.063 54.840 -0.218 0.000 0.749 517 L CB -0.326 41.654 42.059 -0.131 0.000 0.890 517 L HN 0.136 nan 8.230 nan 0.000 0.431 518 V N 0.204 120.041 119.914 -0.129 0.000 2.380 518 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 518 V C 2.210 178.232 176.094 -0.119 0.000 1.063 518 V CA 1.928 64.152 62.300 -0.127 0.000 1.055 518 V CB -0.819 30.950 31.823 -0.091 0.000 0.657 518 V HN 0.527 nan 8.190 nan 0.000 0.455 519 N N -0.184 118.453 118.700 -0.104 0.000 2.188 519 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 519 N C 1.959 177.382 175.510 -0.145 0.000 1.018 519 N CA 1.293 54.281 53.050 -0.102 0.000 0.858 519 N CB -0.159 38.279 38.487 -0.082 0.000 0.989 519 N HN 0.625 nan 8.380 nan 0.000 0.426 520 Q N 0.645 120.307 119.800 -0.229 0.000 2.050 520 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 520 Q C 2.205 178.063 176.000 -0.237 0.000 0.980 520 Q CA 0.912 56.535 55.803 -0.299 0.000 0.840 520 Q CB -0.061 28.275 28.738 -0.671 0.000 0.898 520 Q HN 0.388 nan 8.270 nan 0.000 0.424 521 I N 0.624 121.022 120.570 -0.286 0.000 2.208 521 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 521 I C 2.225 178.263 176.117 -0.133 0.000 1.097 521 I CA 1.212 62.435 61.300 -0.128 0.000 1.363 521 I CB -0.294 37.627 38.000 -0.131 0.000 1.051 521 I HN 0.226 nan 8.210 nan 0.000 0.413 522 I N 0.542 121.031 120.570 -0.135 0.000 2.226 522 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 522 I C 2.435 178.479 176.117 -0.122 0.000 1.100 522 I CA 1.536 62.760 61.300 -0.127 0.000 1.374 522 I CB -0.383 37.596 38.000 -0.035 0.000 1.057 522 I HN 0.243 nan 8.210 nan 0.000 0.413 523 E N 0.200 120.346 120.200 -0.089 0.000 2.110 523 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 523 E C 2.273 178.848 176.600 -0.042 0.000 0.988 523 E CA 0.917 57.281 56.400 -0.061 0.000 0.804 523 E CB 0.007 29.678 29.700 -0.049 0.000 0.745 523 E HN 0.411 nan 8.360 nan 0.000 0.458 524 Q N 0.393 120.174 119.800 -0.032 0.000 2.030 524 Q HA -0.155 4.184 4.340 -0.000 0.000 0.204 524 Q C 2.426 178.365 176.000 -0.101 0.000 0.986 524 Q CA 1.203 56.986 55.803 -0.032 0.000 0.843 524 Q CB -0.397 28.350 28.738 0.015 0.000 0.904 524 Q HN 0.367 nan 8.270 nan 0.000 0.420 525 L N 0.144 121.239 121.223 -0.213 0.000 2.127 525 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 525 L C 2.350 179.095 176.870 -0.209 0.000 1.089 525 L CA 0.752 55.377 54.840 -0.359 0.000 0.757 525 L CB -0.415 41.117 42.059 -0.878 0.000 0.899 525 L HN 0.178 nan 8.230 nan 0.000 0.434 526 I N -0.460 120.058 120.570 -0.086 0.000 2.353 526 I HA -0.243 3.926 4.170 -0.000 0.000 0.248 526 I C 2.347 178.515 176.117 0.085 0.000 1.119 526 I CA 1.233 62.600 61.300 0.111 0.000 1.417 526 I CB -0.205 37.893 38.000 0.163 0.000 1.078 526 I HN 0.162 nan 8.210 nan 0.000 0.421 527 K N 0.586 121.004 120.400 0.029 0.000 2.217 527 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 527 K C 0.699 177.308 176.600 0.016 0.000 1.051 527 K CA 0.556 56.859 56.287 0.026 0.000 0.952 527 K CB 0.094 32.599 32.500 0.008 0.000 0.736 527 K HN 0.104 nan 8.250 nan 0.000 0.453 528 K N 1.036 121.433 120.400 -0.004 0.000 2.187 528 K HA 0.005 4.325 4.320 -0.000 0.000 0.247 528 K C 0.982 177.595 176.600 0.022 0.000 1.019 528 K CA 0.393 56.676 56.287 -0.007 0.000 0.893 528 K CB 0.551 33.030 32.500 -0.036 0.000 1.025 528 K HN -0.008 nan 8.250 nan 0.000 0.500 529 E N 0.934 121.146 120.200 0.020 0.000 2.244 529 E HA 0.071 4.421 4.350 -0.000 0.000 0.196 529 E C -0.215 176.409 176.600 0.040 0.000 0.939 529 E CA 0.819 57.239 56.400 0.032 0.000 0.884 529 E CB 0.614 30.329 29.700 0.024 0.000 0.850 529 E HN 0.358 nan 8.360 nan 0.000 0.481 530 K N 0.631 121.051 120.400 0.033 0.000 2.535 530 K HA 0.514 4.834 4.320 -0.000 0.000 0.251 530 K C -1.261 175.363 176.600 0.040 0.000 0.942 530 K CA -0.468 55.847 56.287 0.047 0.000 0.798 530 K CB 3.200 35.727 32.500 0.044 0.000 1.267 530 K HN -0.226 nan 8.250 nan 0.000 0.434 531 V N 2.952 122.903 119.914 0.062 0.000 2.577 531 V HA 0.323 4.443 4.120 -0.000 0.000 0.303 531 V C -1.508 174.661 176.094 0.126 0.000 1.042 531 V CA -0.938 61.392 62.300 0.050 0.000 0.872 531 V CB 1.585 33.400 31.823 -0.013 0.000 0.998 531 V HN 0.714 nan 8.190 nan 0.000 0.423 532 Y N 5.217 125.512 120.300 -0.009 0.000 2.341 532 Y HA 0.707 5.257 4.550 -0.000 0.000 0.338 532 Y C -0.961 174.934 175.900 -0.008 0.000 0.965 532 Y CA -0.876 57.225 58.100 0.002 0.000 1.108 532 Y CB 1.523 39.984 38.460 0.001 0.000 1.180 532 Y HN 0.565 nan 8.280 nan 0.000 0.458 533 L N 6.227 127.083 121.223 -0.611 0.000 2.333 533 L HA 0.872 5.212 4.340 -0.000 0.000 0.280 533 L C -1.074 175.450 176.870 -0.576 0.000 1.004 533 L CA -0.579 54.012 54.840 -0.415 0.000 0.820 533 L CB 1.192 43.127 42.059 -0.206 0.000 1.247 533 L HN 0.885 nan 8.230 nan 0.000 0.416 534 A N 4.227 126.858 122.820 -0.316 0.000 2.454 534 A HA 0.621 4.941 4.320 -0.000 0.000 0.302 534 A C -2.135 175.469 177.584 0.032 0.000 1.079 534 A CA -0.516 51.430 52.037 -0.151 0.000 0.731 534 A CB 1.572 20.549 19.000 -0.037 0.000 1.299 534 A HN 0.787 nan 8.150 nan 0.000 0.413 535 W N 1.803 123.053 121.300 -0.083 0.000 2.702 535 W HA 0.647 5.307 4.660 -0.000 0.000 0.331 535 W C -1.631 174.880 176.519 -0.013 0.000 1.049 535 W CA -0.399 56.918 57.345 -0.048 0.000 1.230 535 W CB 1.733 31.162 29.460 -0.052 0.000 1.408 535 W HN 0.569 nan 8.180 nan 0.000 0.492 536 V N 6.431 125.757 119.914 -0.980 0.000 2.914 536 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 536 V C -2.139 172.911 176.094 -1.740 0.000 1.084 536 V CA -2.395 59.308 62.300 -0.994 0.000 0.963 536 V CB 2.294 33.867 31.823 -0.417 0.000 1.025 536 V HN 0.419 nan 8.190 nan 0.000 0.432 537 P HA 0.260 nan 4.420 nan 0.000 0.271 537 P C -0.451 176.623 177.300 -0.377 0.000 1.220 537 P CA 0.138 62.856 63.100 -0.636 0.000 0.768 537 P CB 0.512 32.112 31.700 -0.167 0.000 0.848 538 A N 3.245 125.911 122.820 -0.257 0.000 2.386 538 A HA 0.135 4.455 4.320 -0.000 0.000 0.246 538 A C 0.269 177.754 177.584 -0.166 0.000 1.089 538 A CA -0.018 51.840 52.037 -0.298 0.000 0.790 538 A CB -1.047 17.751 19.000 -0.336 0.000 1.042 538 A HN 0.819 nan 8.150 nan 0.000 0.497 539 H N -1.245 117.802 119.070 -0.038 0.000 2.781 539 H HA -0.124 4.432 4.556 -0.000 0.000 0.301 539 H C 0.415 175.730 175.328 -0.022 0.000 1.124 539 H CA 1.112 57.147 56.048 -0.021 0.000 1.154 539 H CB -0.869 28.891 29.762 -0.005 0.000 1.355 539 H HN 0.502 nan 8.280 nan 0.000 0.385 540 K N 0.132 120.544 120.400 0.019 0.000 2.373 540 K HA 0.236 4.556 4.320 -0.000 0.000 0.202 540 K C 1.323 177.920 176.600 -0.005 0.000 1.025 540 K CA 0.715 57.009 56.287 0.012 0.000 1.115 540 K CB 0.811 33.304 32.500 -0.011 0.000 0.858 540 K HN 0.579 nan 8.250 nan 0.000 0.525 541 G N 2.160 110.953 108.800 -0.012 0.000 2.246 541 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.273 541 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.273 541 G C 0.036 174.914 174.900 -0.037 0.000 1.055 541 G CA -0.228 44.860 45.100 -0.021 0.000 0.851 541 G HN 0.150 nan 8.290 nan 0.000 0.500 542 I N 0.892 121.430 120.570 -0.054 0.000 2.472 542 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 542 I C 1.886 177.961 176.117 -0.069 0.000 1.016 542 I CA 0.789 62.059 61.300 -0.050 0.000 1.348 542 I CB 0.245 38.211 38.000 -0.057 0.000 1.417 542 I HN 0.619 nan 8.210 nan 0.000 0.521 543 G N 5.220 113.981 108.800 -0.065 0.000 2.572 543 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.547 543 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.547 543 G C 1.065 175.774 174.900 -0.318 0.000 1.354 543 G CA 0.703 45.722 45.100 -0.135 0.000 0.935 543 G HN 0.926 nan 8.290 nan 0.000 0.528 544 G N -0.264 108.058 108.800 -0.795 0.000 2.572 544 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.216 544 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.216 544 G C 1.490 176.124 174.900 -0.444 0.000 1.133 544 G CA 1.340 45.847 45.100 -0.988 0.000 0.791 544 G HN 0.902 nan 8.290 nan 0.000 0.538 545 N N 0.974 119.579 118.700 -0.158 0.000 2.205 545 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 545 N C 1.946 177.415 175.510 -0.069 0.000 1.015 545 N CA 1.767 54.823 53.050 0.010 0.000 0.862 545 N CB -0.216 38.274 38.487 0.006 0.000 0.986 545 N HN 0.382 nan 8.380 nan 0.000 0.429 546 E N 0.035 120.175 120.200 -0.101 0.000 2.077 546 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 546 E C 1.917 178.476 176.600 -0.068 0.000 0.989 546 E CA 1.371 57.723 56.400 -0.080 0.000 0.800 546 E CB -0.231 29.424 29.700 -0.074 0.000 0.746 546 E HN 0.422 nan 8.360 nan 0.000 0.452 547 Q N -0.164 119.581 119.800 -0.092 0.000 1.993 547 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 547 Q C 2.246 178.221 176.000 -0.042 0.000 0.984 547 Q CA 1.670 57.429 55.803 -0.073 0.000 0.837 547 Q CB -0.599 28.079 28.738 -0.101 0.000 0.902 547 Q HN 0.299 nan 8.270 nan 0.000 0.423 548 V N 0.914 120.812 119.914 -0.026 0.000 2.759 548 V HA -0.223 3.897 4.120 -0.000 0.000 0.256 548 V C 1.687 177.783 176.094 0.002 0.000 1.080 548 V CA 1.784 64.091 62.300 0.010 0.000 1.101 548 V CB -0.297 31.572 31.823 0.076 0.000 0.698 548 V HN 0.455 nan 8.190 nan 0.000 0.477 549 D N 0.840 121.230 120.400 -0.017 0.000 2.078 549 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 549 D C 2.153 178.454 176.300 0.002 0.000 0.990 549 D CA 2.104 56.090 54.000 -0.023 0.000 0.827 549 D CB -0.031 40.735 40.800 -0.058 0.000 0.975 549 D HN 0.716 nan 8.370 nan 0.000 0.451 550 K N 0.295 120.694 120.400 -0.002 0.000 2.103 550 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 550 K C 2.405 179.004 176.600 -0.002 0.000 1.052 550 K CA 0.513 56.803 56.287 0.005 0.000 0.945 550 K CB -0.512 31.987 32.500 -0.001 0.000 0.722 550 K HN 0.071 nan 8.250 nan 0.000 0.443 551 L N 1.676 122.892 121.223 -0.012 0.000 2.129 551 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 551 L C 1.908 178.769 176.870 -0.013 0.000 1.087 551 L CA 1.415 56.243 54.840 -0.019 0.000 0.757 551 L CB 0.047 42.087 42.059 -0.031 0.000 0.896 551 L HN 0.073 nan 8.230 nan 0.000 0.434 552 V N -2.447 117.465 119.914 -0.003 0.000 3.565 552 V HA 0.049 4.169 4.120 -0.000 0.000 0.260 552 V C 2.207 178.310 176.094 0.016 0.000 1.231 552 V CA 1.002 63.305 62.300 0.005 0.000 1.100 552 V CB 0.413 32.245 31.823 0.015 0.000 0.807 552 V HN 0.329 nan 8.190 nan 0.000 0.454 553 S N 0.901 116.613 115.700 0.020 0.000 2.406 553 S HA 0.104 4.574 4.470 -0.000 0.000 0.228 553 S C 1.358 175.970 174.600 0.020 0.000 1.020 553 S CA 0.702 58.920 58.200 0.031 0.000 0.965 553 S CB -0.236 62.989 63.200 0.043 0.000 0.798 553 S HN 0.575 nan 8.310 nan 0.000 0.488 554 A N 1.154 123.980 122.820 0.011 0.000 2.537 554 A HA 0.459 4.779 4.320 -0.000 0.000 0.260 554 A C 1.152 178.739 177.584 0.005 0.000 1.082 554 A CA 0.495 52.536 52.037 0.006 0.000 0.765 554 A CB -0.909 18.090 19.000 -0.001 0.000 1.019 554 A HN 1.001 nan 8.150 nan 0.000 0.507 555 G N 1.855 110.659 108.800 0.006 0.000 2.467 555 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.242 555 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.242 555 G C -0.242 174.663 174.900 0.008 0.000 1.127 555 G CA 0.115 45.218 45.100 0.005 0.000 0.924 555 G HN 2.000 nan 8.290 nan 0.000 0.499 556 I N -3.410 117.166 120.570 0.010 0.000 3.264 556 I HA 0.941 5.111 4.170 -0.000 0.000 0.315 556 I C -0.189 175.936 176.117 0.014 0.000 1.154 556 I CA -1.899 59.407 61.300 0.010 0.000 0.962 556 I CB 2.095 40.099 38.000 0.006 0.000 1.265 556 I HN 0.291 nan 8.210 nan 0.000 0.463 557 R N 0.000 120.509 120.500 0.015 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 557 R CA 0.000 56.111 56.100 0.019 0.000 0.921 557 R CB 0.000 30.318 30.300 0.030 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535