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 2b6a_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 0.090 0.000 1.155 1 P CA 0.000 63.139 63.100 0.065 0.000 0.800 1 P CB 0.000 31.726 31.700 0.043 0.000 0.726 2 I N 0.451 121.068 120.570 0.079 0.000 2.315 2 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 2 I C 0.581 176.748 176.117 0.084 0.000 1.006 2 I CA -0.481 60.875 61.300 0.094 0.000 1.265 2 I CB 1.510 39.562 38.000 0.086 0.000 1.387 2 I HN 0.272 nan 8.210 nan 0.000 0.475 3 S N 7.761 123.530 115.700 0.114 0.000 2.576 3 S HA 0.293 4.763 4.470 -0.000 0.000 0.276 3 S C -1.677 172.995 174.600 0.119 0.000 1.339 3 S CA -1.115 57.165 58.200 0.133 0.000 1.039 3 S CB 0.715 64.046 63.200 0.218 0.000 0.902 3 S HN 0.489 nan 8.310 nan 0.000 0.516 4 P HA 0.246 nan 4.420 nan 0.000 0.236 4 P C -0.234 177.174 177.300 0.180 0.000 1.709 4 P CA -0.076 63.065 63.100 0.069 0.000 0.942 4 P CB -0.436 31.236 31.700 -0.047 0.000 1.615 5 I N -0.158 120.553 120.570 0.234 0.000 2.882 5 I HA 0.062 4.232 4.170 -0.000 0.000 0.286 5 I C 1.264 177.465 176.117 0.140 0.000 1.139 5 I CA -0.196 61.245 61.300 0.235 0.000 1.379 5 I CB 0.532 38.627 38.000 0.159 0.000 1.410 5 I HN -0.042 nan 8.210 nan 0.000 0.594 6 E N 2.420 122.684 120.200 0.107 0.000 2.331 6 E HA 0.162 4.512 4.350 -0.000 0.000 0.272 6 E C -0.603 176.029 176.600 0.053 0.000 1.036 6 E CA -0.446 55.999 56.400 0.074 0.000 0.864 6 E CB 1.113 30.848 29.700 0.059 0.000 1.035 6 E HN 0.610 nan 8.360 nan 0.000 0.408 7 T N -0.738 113.848 114.554 0.053 0.000 2.845 7 T HA 0.301 4.651 4.350 -0.000 0.000 0.288 7 T C 0.116 174.840 174.700 0.041 0.000 0.980 7 T CA -0.935 61.193 62.100 0.046 0.000 1.071 7 T CB 1.131 70.034 68.868 0.057 0.000 0.941 7 T HN 0.087 nan 8.240 nan 0.000 0.487 8 V N 6.196 126.130 119.914 0.032 0.000 2.470 8 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 8 V C -1.533 174.600 176.094 0.064 0.000 1.040 8 V CA -1.588 60.735 62.300 0.039 0.000 1.008 8 V CB 0.236 32.075 31.823 0.026 0.000 0.990 8 V HN 0.851 nan 8.190 nan 0.000 0.477 9 P HA 0.145 nan 4.420 nan 0.000 0.265 9 P C -0.588 176.764 177.300 0.088 0.000 1.222 9 P CA 0.284 63.432 63.100 0.080 0.000 0.767 9 P CB 1.065 32.805 31.700 0.066 0.000 0.801 10 V N 4.991 124.957 119.914 0.086 0.000 2.975 10 V HA 0.542 4.662 4.120 -0.000 0.000 0.318 10 V C 0.479 176.634 176.094 0.101 0.000 1.077 10 V CA -0.515 61.802 62.300 0.028 0.000 1.000 10 V CB 1.961 33.665 31.823 -0.198 0.000 1.066 10 V HN 0.534 nan 8.190 nan 0.000 0.452 11 K N 1.827 122.270 120.400 0.072 0.000 2.556 11 K HA 0.575 4.895 4.320 -0.000 0.000 0.274 11 K C -1.704 174.978 176.600 0.137 0.000 0.966 11 K CA -0.851 55.535 56.287 0.165 0.000 0.865 11 K CB 2.524 35.066 32.500 0.070 0.000 1.444 11 K HN 0.389 nan 8.250 nan 0.000 0.433 12 L N 2.267 123.541 121.223 0.084 0.000 2.395 12 L HA 0.301 4.641 4.340 -0.000 0.000 0.269 12 L C 0.473 177.327 176.870 -0.027 0.000 1.133 12 L CA -0.531 54.304 54.840 -0.007 0.000 0.812 12 L CB 0.471 42.416 42.059 -0.191 0.000 1.125 12 L HN 0.413 nan 8.230 nan 0.000 0.452 13 K N 2.125 122.505 120.400 -0.033 0.000 2.552 13 K HA -0.021 4.299 4.320 -0.000 0.000 0.276 13 K C -2.236 174.350 176.600 -0.024 0.000 0.960 13 K CA -1.044 55.221 56.287 -0.038 0.000 0.961 13 K CB -0.303 32.179 32.500 -0.031 0.000 0.902 13 K HN 0.305 nan 8.250 nan 0.000 0.515 14 P HA -0.017 nan 4.420 nan 0.000 0.263 14 P C -0.040 177.261 177.300 0.002 0.000 1.195 14 P CA 0.482 63.578 63.100 -0.006 0.000 0.762 14 P CB 0.487 32.182 31.700 -0.008 0.000 0.799 15 G N 2.562 111.369 108.800 0.012 0.000 2.314 15 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.292 15 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.292 15 G C -0.117 174.795 174.900 0.021 0.000 1.059 15 G CA -0.258 44.854 45.100 0.020 0.000 0.982 15 G HN 0.406 nan 8.290 nan 0.000 0.505 16 M N -1.005 118.605 119.600 0.016 0.000 2.745 16 M HA 0.671 5.151 4.480 -0.000 0.000 0.290 16 M C -0.762 175.553 176.300 0.025 0.000 1.262 16 M CA -0.743 54.567 55.300 0.015 0.000 0.795 16 M CB 2.199 34.794 32.600 -0.008 0.000 1.758 16 M HN 0.184 nan 8.290 nan 0.000 0.461 17 D N -0.795 119.629 120.400 0.039 0.000 2.583 17 D HA 0.544 5.184 4.640 -0.000 0.000 0.248 17 D C -0.503 175.835 176.300 0.063 0.000 1.209 17 D CA 0.024 54.084 54.000 0.101 0.000 0.848 17 D CB 1.957 42.889 40.800 0.219 0.000 1.431 17 D HN 0.722 nan 8.370 nan 0.000 0.436 18 G N 1.444 110.264 108.800 0.033 0.000 2.474 18 G HA2 0.273 4.233 3.960 -0.000 0.000 0.233 18 G HA3 0.273 4.233 3.960 -0.000 0.000 0.233 18 G C -2.075 172.954 174.900 0.214 0.000 1.278 18 G CA -0.572 44.481 45.100 -0.079 0.000 0.861 18 G HN 0.370 nan 8.290 nan 0.000 0.567 19 P HA 0.182 nan 4.420 nan 0.000 0.270 19 P C -0.490 176.951 177.300 0.234 0.000 1.223 19 P CA -0.034 63.173 63.100 0.178 0.000 0.785 19 P CB 1.001 32.788 31.700 0.144 0.000 0.923 20 K N 0.478 120.975 120.400 0.162 0.000 3.209 20 K HA 0.238 4.558 4.320 -0.000 0.000 0.202 20 K C -0.361 176.289 176.600 0.083 0.000 1.109 20 K CA -0.347 56.015 56.287 0.126 0.000 0.968 20 K CB 0.752 33.314 32.500 0.104 0.000 0.732 20 K HN 0.167 nan 8.250 nan 0.000 0.450 21 V N 2.180 122.141 119.914 0.079 0.000 3.096 21 V HA -0.004 4.116 4.120 -0.000 0.000 0.306 21 V C 0.378 176.503 176.094 0.052 0.000 1.088 21 V CA 0.031 62.366 62.300 0.059 0.000 1.129 21 V CB 0.543 32.392 31.823 0.044 0.000 1.014 21 V HN 0.325 nan 8.190 nan 0.000 0.486 22 K N 3.409 123.840 120.400 0.052 0.000 2.185 22 K HA 0.596 4.916 4.320 -0.000 0.000 0.269 22 K C -0.629 176.014 176.600 0.073 0.000 0.987 22 K CA -0.684 55.636 56.287 0.054 0.000 0.865 22 K CB 1.187 33.717 32.500 0.050 0.000 1.090 22 K HN 0.711 nan 8.250 nan 0.000 0.450 23 Q N 1.252 121.098 119.800 0.076 0.000 2.348 23 Q HA 0.261 4.601 4.340 -0.000 0.000 0.265 23 Q C -0.983 175.086 176.000 0.116 0.000 0.998 23 Q CA -0.785 55.091 55.803 0.121 0.000 0.831 23 Q CB 0.572 29.375 28.738 0.109 0.000 1.251 23 Q HN 0.777 nan 8.270 nan 0.000 0.456 24 W N 3.151 124.533 121.300 0.136 0.000 2.347 24 W HA 0.324 4.984 4.660 -0.000 0.000 0.333 24 W C -2.229 174.334 176.519 0.073 0.000 1.383 24 W CA -1.636 55.759 57.345 0.084 0.000 1.283 24 W CB -0.939 28.558 29.460 0.062 0.000 1.253 24 W HN 0.702 nan 8.180 nan 0.000 0.563 25 P HA 0.414 nan 4.420 nan 0.000 0.267 25 P C 0.554 177.867 177.300 0.023 0.000 1.201 25 P CA 0.737 63.856 63.100 0.031 0.000 0.775 25 P CB 0.505 32.213 31.700 0.014 0.000 0.854 26 L N 0.841 122.073 121.223 0.015 0.000 2.286 26 L HA 0.762 5.102 4.340 -0.000 0.000 0.265 26 L C 0.838 177.697 176.870 -0.018 0.000 1.012 26 L CA -0.890 53.948 54.840 -0.003 0.000 0.818 26 L CB 0.238 42.299 42.059 0.004 0.000 1.337 26 L HN 0.554 nan 8.230 nan 0.000 0.438 27 T N -2.102 112.439 114.554 -0.021 0.000 2.905 27 T HA 0.100 4.450 4.350 -0.000 0.000 0.299 27 T C 0.771 175.446 174.700 -0.041 0.000 1.024 27 T CA 0.700 62.789 62.100 -0.019 0.000 1.151 27 T CB -0.151 68.716 68.868 -0.000 0.000 0.987 27 T HN 0.786 nan 8.240 nan 0.000 0.535 28 E N 0.847 121.027 120.200 -0.033 0.000 2.455 28 E HA -0.109 4.241 4.350 -0.000 0.000 0.202 28 E C 1.912 178.474 176.600 -0.063 0.000 1.045 28 E CA 0.917 57.289 56.400 -0.046 0.000 0.872 28 E CB -0.127 29.555 29.700 -0.029 0.000 0.792 28 E HN 0.940 nan 8.360 nan 0.000 0.542 29 E N 1.493 121.664 120.200 -0.047 0.000 2.072 29 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 29 E C 1.560 178.058 176.600 -0.171 0.000 0.985 29 E CA 1.370 57.751 56.400 -0.032 0.000 0.801 29 E CB 0.035 29.764 29.700 0.049 0.000 0.750 29 E HN 0.325 nan 8.360 nan 0.000 0.452 30 K N -0.135 120.109 120.400 -0.259 0.000 2.374 30 K HA 0.145 4.465 4.320 -0.000 0.000 0.196 30 K C 1.821 178.176 176.600 -0.409 0.000 1.023 30 K CA 0.099 56.037 56.287 -0.581 0.000 1.103 30 K CB 0.149 32.330 32.500 -0.532 0.000 0.848 30 K HN 0.154 nan 8.250 nan 0.000 0.528 31 I N 1.563 121.998 120.570 -0.225 0.000 2.761 31 I HA -0.112 4.058 4.170 -0.000 0.000 0.261 31 I C 2.357 178.381 176.117 -0.156 0.000 1.198 31 I CA 0.885 62.097 61.300 -0.147 0.000 1.482 31 I CB 0.074 38.025 38.000 -0.082 0.000 1.100 31 I HN 0.248 nan 8.210 nan 0.000 0.445 32 K N 1.307 121.593 120.400 -0.190 0.000 2.211 32 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 32 K C 2.173 178.641 176.600 -0.221 0.000 1.052 32 K CA 0.910 57.108 56.287 -0.150 0.000 0.973 32 K CB 0.077 32.517 32.500 -0.101 0.000 0.766 32 K HN 0.179 nan 8.250 nan 0.000 0.466 33 A N 1.613 124.163 122.820 -0.450 0.000 1.883 33 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 33 A C 2.033 179.414 177.584 -0.338 0.000 1.186 33 A CA 1.414 53.033 52.037 -0.697 0.000 0.624 33 A CB -0.690 17.147 19.000 -1.939 0.000 0.822 33 A HN 0.292 nan 8.150 nan 0.000 0.444 34 L N -0.662 120.399 121.223 -0.269 0.000 1.961 34 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 34 L C 2.547 179.387 176.870 -0.049 0.000 1.072 34 L CA 1.464 56.246 54.840 -0.097 0.000 0.749 34 L CB -1.051 40.987 42.059 -0.035 0.000 0.889 34 L HN 0.243 nan 8.230 nan 0.000 0.432 35 V N 0.297 120.186 119.914 -0.041 0.000 2.313 35 V HA -0.365 3.755 4.120 -0.000 0.000 0.253 35 V C 2.448 178.530 176.094 -0.019 0.000 1.070 35 V CA 2.190 64.487 62.300 -0.006 0.000 1.057 35 V CB -0.723 31.094 31.823 -0.010 0.000 0.653 35 V HN 0.488 nan 8.190 nan 0.000 0.450 36 E N -0.311 119.868 120.200 -0.035 0.000 2.058 36 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 36 E C 2.157 178.741 176.600 -0.027 0.000 0.997 36 E CA 1.716 58.104 56.400 -0.020 0.000 0.801 36 E CB -0.246 29.451 29.700 -0.006 0.000 0.746 36 E HN 0.578 nan 8.360 nan 0.000 0.450 37 I N 0.796 121.348 120.570 -0.029 0.000 2.076 37 I HA -0.340 3.830 4.170 -0.000 0.000 0.237 37 I C 2.526 178.583 176.117 -0.100 0.000 1.059 37 I CA 0.944 62.217 61.300 -0.045 0.000 1.317 37 I CB -0.375 37.613 38.000 -0.019 0.000 1.037 37 I HN 0.244 nan 8.210 nan 0.000 0.398 38 C N 0.320 119.549 119.300 -0.119 0.000 2.403 38 C HA -0.174 4.286 4.460 -0.000 0.000 0.282 38 C C 2.968 177.801 174.990 -0.262 0.000 1.297 38 C CA 1.447 60.305 59.018 -0.267 0.000 1.785 38 C CB -1.390 26.132 27.740 -0.363 0.000 1.963 38 C HN 0.555 nan 8.230 nan 0.000 0.507 39 T N 0.163 114.649 114.554 -0.113 0.000 2.812 39 T HA -0.121 4.229 4.350 -0.000 0.000 0.264 39 T C 1.737 176.394 174.700 -0.071 0.000 1.042 39 T CA 1.340 63.406 62.100 -0.057 0.000 1.140 39 T CB -0.205 68.656 68.868 -0.011 0.000 0.870 39 T HN 0.453 nan 8.240 nan 0.000 0.445 40 E N 0.757 120.911 120.200 -0.077 0.000 2.150 40 E HA 0.105 4.455 4.350 -0.000 0.000 0.193 40 E C 2.020 178.560 176.600 -0.101 0.000 0.985 40 E CA 0.825 57.181 56.400 -0.072 0.000 0.814 40 E CB -0.228 29.435 29.700 -0.062 0.000 0.752 40 E HN 0.473 nan 8.360 nan 0.000 0.466 41 M N -0.358 119.150 119.600 -0.153 0.000 2.236 41 M HA -0.083 4.397 4.480 -0.000 0.000 0.266 41 M C 2.200 178.408 176.300 -0.153 0.000 1.070 41 M CA 1.101 56.290 55.300 -0.185 0.000 1.137 41 M CB -0.017 32.425 32.600 -0.263 0.000 1.378 41 M HN 0.085 nan 8.290 nan 0.000 0.426 42 E N 0.884 120.982 120.200 -0.170 0.000 2.072 42 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 42 E C 1.799 178.378 176.600 -0.035 0.000 0.985 42 E CA 1.176 57.518 56.400 -0.097 0.000 0.801 42 E CB 0.117 29.785 29.700 -0.054 0.000 0.750 42 E HN 0.392 nan 8.360 nan 0.000 0.452 43 K N 0.386 120.765 120.400 -0.036 0.000 2.074 43 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 43 K C 1.788 178.380 176.600 -0.014 0.000 1.048 43 K CA 1.689 57.966 56.287 -0.016 0.000 0.926 43 K CB -0.065 32.423 32.500 -0.019 0.000 0.713 43 K HN 0.204 nan 8.250 nan 0.000 0.444 44 E N -0.832 119.353 120.200 -0.026 0.000 2.512 44 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 44 E C 0.932 177.535 176.600 0.006 0.000 1.083 44 E CA 0.275 56.667 56.400 -0.013 0.000 0.873 44 E CB 0.284 29.968 29.700 -0.027 0.000 0.897 44 E HN 0.542 nan 8.360 nan 0.000 0.514 45 G N 1.582 110.386 108.800 0.007 0.000 2.347 45 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.247 45 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.247 45 G C 1.171 176.097 174.900 0.044 0.000 1.037 45 G CA 0.800 45.917 45.100 0.030 0.000 0.622 45 G HN 0.182 nan 8.290 nan 0.000 0.521 46 K N 0.693 121.115 120.400 0.037 0.000 2.107 46 K HA -0.005 4.315 4.320 -0.000 0.000 0.211 46 K C 1.611 178.230 176.600 0.031 0.000 1.049 46 K CA 1.981 58.316 56.287 0.080 0.000 0.927 46 K CB -0.336 32.180 32.500 0.027 0.000 0.714 46 K HN 1.012 nan 8.250 nan 0.000 0.452 47 I N -5.127 115.404 120.570 -0.066 0.000 3.145 47 I HA 0.524 4.694 4.170 -0.000 0.000 0.313 47 I C -0.758 175.381 176.117 0.036 0.000 1.122 47 I CA -0.979 60.272 61.300 -0.082 0.000 0.987 47 I CB 2.759 40.597 38.000 -0.269 0.000 1.236 47 I HN -0.335 nan 8.210 nan 0.000 0.453 48 S N 1.077 116.867 115.700 0.149 0.000 2.546 48 S HA 0.428 4.898 4.470 -0.000 0.000 0.274 48 S C -1.054 173.691 174.600 0.242 0.000 1.121 48 S CA -0.906 57.413 58.200 0.199 0.000 0.887 48 S CB 2.006 65.272 63.200 0.109 0.000 1.094 48 S HN 0.508 nan 8.310 nan 0.000 0.474 49 K N 2.645 123.123 120.400 0.130 0.000 2.349 49 K HA 0.518 4.838 4.320 -0.000 0.000 0.289 49 K C -0.395 176.131 176.600 -0.123 0.000 1.064 49 K CA 0.092 56.278 56.287 -0.168 0.000 0.947 49 K CB -0.033 32.302 32.500 -0.275 0.000 1.007 49 K HN 0.603 nan 8.250 nan 0.000 0.478 50 I N -1.266 119.215 120.570 -0.148 0.000 2.731 50 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 50 I C -0.131 175.918 176.117 -0.113 0.000 1.421 50 I CA -0.629 60.611 61.300 -0.100 0.000 1.071 50 I CB 1.875 39.850 38.000 -0.041 0.000 1.375 50 I HN 0.575 nan 8.210 nan 0.000 0.425 51 G N 4.797 113.527 108.800 -0.116 0.000 2.578 51 G HA2 0.284 4.244 3.960 -0.000 0.000 0.184 51 G HA3 0.284 4.244 3.960 -0.000 0.000 0.184 51 G C -0.888 173.958 174.900 -0.090 0.000 1.289 51 G CA 0.465 45.499 45.100 -0.109 0.000 0.847 51 G HN 0.553 nan 8.290 nan 0.000 0.880 52 P HA -0.077 nan 4.420 nan 0.000 0.213 52 P C 0.829 178.086 177.300 -0.071 0.000 1.170 52 P CA 1.264 64.320 63.100 -0.073 0.000 0.893 52 P CB 0.053 31.714 31.700 -0.064 0.000 0.784 53 E N -0.794 119.368 120.200 -0.065 0.000 2.489 53 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 53 E C 0.733 177.286 176.600 -0.077 0.000 1.057 53 E CA -0.143 56.218 56.400 -0.064 0.000 0.866 53 E CB -0.360 29.311 29.700 -0.047 0.000 0.916 53 E HN 0.145 nan 8.360 nan 0.000 0.500 54 N N 1.557 120.209 118.700 -0.079 0.000 2.817 54 N HA 0.112 4.852 4.740 -0.000 0.000 0.234 54 N C -2.202 173.215 175.510 -0.155 0.000 1.066 54 N CA -2.022 50.984 53.050 -0.074 0.000 0.926 54 N CB 1.015 39.495 38.487 -0.012 0.000 1.176 54 N HN -0.136 nan 8.380 nan 0.000 0.506 55 P HA -0.001 nan 4.420 nan 0.000 0.242 55 P C -0.775 176.176 177.300 -0.581 0.000 1.198 55 P CA 0.996 63.799 63.100 -0.495 0.000 0.756 55 P CB -0.172 31.158 31.700 -0.617 0.000 0.911 56 Y N -1.105 119.188 120.300 -0.011 0.000 2.650 56 Y HA 0.623 5.173 4.550 0.000 0.000 0.331 56 Y C 0.609 176.529 175.900 0.032 0.000 1.082 56 Y CA -1.180 56.934 58.100 0.024 0.000 1.171 56 Y CB 1.127 39.611 38.460 0.041 0.000 1.326 56 Y HN -0.339 nan 8.280 nan 0.000 0.513 57 N N -1.424 117.415 118.700 0.232 0.000 2.928 57 N HA 0.433 5.173 4.740 -0.000 0.000 0.247 57 N C -2.091 173.493 175.510 0.122 0.000 1.141 57 N CA -0.436 52.705 53.050 0.151 0.000 0.977 57 N CB 1.547 40.086 38.487 0.086 0.000 1.663 57 N HN 0.606 nan 8.380 nan 0.000 0.509 58 T N 2.511 117.119 114.554 0.091 0.000 2.861 58 T HA 0.573 4.923 4.350 -0.000 0.000 0.287 58 T C -2.812 171.842 174.700 -0.077 0.000 1.003 58 T CA -1.064 61.021 62.100 -0.025 0.000 0.977 58 T CB 2.014 70.789 68.868 -0.156 0.000 0.996 58 T HN 0.319 nan 8.240 nan 0.000 0.448 59 P HA 0.284 nan 4.420 nan 0.000 0.268 59 P C -0.939 176.128 177.300 -0.388 0.000 1.205 59 P CA -0.274 62.702 63.100 -0.207 0.000 0.771 59 P CB 0.711 32.272 31.700 -0.233 0.000 0.858 60 V N 4.315 124.097 119.914 -0.220 0.000 2.604 60 V HA 0.483 4.603 4.120 -0.000 0.000 0.305 60 V C 0.156 176.286 176.094 0.062 0.000 1.043 60 V CA -0.434 61.774 62.300 -0.154 0.000 0.888 60 V CB 1.371 33.275 31.823 0.137 0.000 0.995 60 V HN 0.486 nan 8.190 nan 0.000 0.429 61 F N 1.508 121.482 119.950 0.039 0.000 2.712 61 F HA 0.904 5.431 4.527 -0.000 0.000 0.367 61 F C 0.242 176.084 175.800 0.070 0.000 1.132 61 F CA -1.259 56.772 58.000 0.051 0.000 1.066 61 F CB 2.120 41.153 39.000 0.055 0.000 1.416 61 F HN 0.544 nan 8.300 nan 0.000 0.515 62 A N 0.615 123.632 122.820 0.329 0.000 2.465 62 A HA 0.760 5.080 4.320 -0.000 0.000 0.292 62 A C -1.457 176.421 177.584 0.489 0.000 1.041 62 A CA -0.241 51.982 52.037 0.310 0.000 0.718 62 A CB 0.989 20.017 19.000 0.046 0.000 1.266 62 A HN 0.988 nan 8.150 nan 0.000 0.403 63 I N 1.613 122.481 120.570 0.495 0.000 2.569 63 I HA 0.877 5.047 4.170 -0.000 0.000 0.290 63 I C -0.530 175.631 176.117 0.073 0.000 1.088 63 I CA -0.697 60.781 61.300 0.297 0.000 1.047 63 I CB 1.647 39.745 38.000 0.163 0.000 1.237 63 I HN 0.960 nan 8.210 nan 0.000 0.421 64 K N 4.099 124.276 120.400 -0.371 0.000 2.378 64 K HA 0.873 5.193 4.320 -0.000 0.000 0.252 64 K C -1.155 175.206 176.600 -0.398 0.000 0.931 64 K CA -0.785 55.130 56.287 -0.619 0.000 0.794 64 K CB 2.336 33.879 32.500 -1.594 0.000 1.181 64 K HN 0.684 nan 8.250 nan 0.000 0.425 65 K N 2.312 122.554 120.400 -0.263 0.000 2.270 65 K HA 0.259 4.579 4.320 -0.000 0.000 0.255 65 K C -0.065 176.437 176.600 -0.164 0.000 0.936 65 K CA -0.972 55.211 56.287 -0.173 0.000 0.809 65 K CB 2.120 34.560 32.500 -0.101 0.000 1.131 65 K HN 0.523 nan 8.250 nan 0.000 0.427 66 K N 0.878 121.199 120.400 -0.133 0.000 2.281 66 K HA -0.180 4.140 4.320 -0.000 0.000 0.203 66 K C 1.134 177.686 176.600 -0.080 0.000 1.046 66 K CA 1.788 58.011 56.287 -0.106 0.000 0.938 66 K CB -0.343 32.111 32.500 -0.077 0.000 0.737 66 K HN 0.870 nan 8.250 nan 0.000 0.458 67 D N 1.112 121.470 120.400 -0.071 0.000 2.644 67 D HA 0.289 4.929 4.640 -0.000 0.000 0.252 67 D C 0.338 176.606 176.300 -0.053 0.000 1.254 67 D CA 0.827 54.797 54.000 -0.050 0.000 0.884 67 D CB -0.531 40.245 40.800 -0.040 0.000 1.034 67 D HN 0.395 nan 8.370 nan 0.000 0.473 68 S N -2.570 113.089 115.700 -0.068 0.000 2.645 68 S HA 0.731 5.201 4.470 -0.000 0.000 0.268 68 S C 0.943 175.496 174.600 -0.078 0.000 1.110 68 S CA 0.378 58.538 58.200 -0.067 0.000 0.823 68 S CB 0.225 63.378 63.200 -0.078 0.000 1.091 68 S HN 0.723 nan 8.310 nan 0.000 0.466 69 T N 0.336 114.854 114.554 -0.059 0.000 3.044 69 T HA 0.558 4.908 4.350 -0.000 0.000 0.260 69 T C 0.458 175.129 174.700 -0.048 0.000 1.019 69 T CA 1.136 63.206 62.100 -0.050 0.000 0.921 69 T CB -0.462 68.392 68.868 -0.023 0.000 1.053 69 T HN 0.812 nan 8.240 nan 0.000 0.533 70 K N -1.341 119.019 120.400 -0.067 0.000 2.250 70 K HA 0.631 4.951 4.320 -0.000 0.000 0.261 70 K C -1.535 175.009 176.600 -0.093 0.000 1.047 70 K CA -1.207 55.066 56.287 -0.023 0.000 0.884 70 K CB 0.926 33.457 32.500 0.052 0.000 1.476 70 K HN 0.112 nan 8.250 nan 0.000 0.445 71 W N 0.545 121.847 121.300 0.002 0.000 2.260 71 W HA 0.505 5.165 4.660 -0.000 0.000 0.366 71 W C 0.089 176.612 176.519 0.007 0.000 1.315 71 W CA -0.333 57.017 57.345 0.009 0.000 1.458 71 W CB 1.095 30.563 29.460 0.014 0.000 1.255 71 W HN 0.366 nan 8.180 nan 0.000 0.671 72 R N 2.004 122.726 120.500 0.371 0.000 2.515 72 R HA 0.212 4.552 4.340 -0.000 0.000 0.291 72 R C -0.910 175.533 176.300 0.238 0.000 1.046 72 R CA -0.857 55.374 56.100 0.218 0.000 0.914 72 R CB 1.353 31.734 30.300 0.135 0.000 1.191 72 R HN 0.455 nan 8.270 nan 0.000 0.435 73 K N 4.361 124.855 120.400 0.157 0.000 2.276 73 K HA 0.257 4.577 4.320 -0.000 0.000 0.283 73 K C -1.309 175.366 176.600 0.125 0.000 1.044 73 K CA -0.365 55.999 56.287 0.128 0.000 0.944 73 K CB 0.747 33.287 32.500 0.068 0.000 1.012 73 K HN 0.332 nan 8.250 nan 0.000 0.472 74 L N 5.206 126.503 121.223 0.124 0.000 2.410 74 L HA 0.440 4.780 4.340 -0.000 0.000 0.270 74 L C -1.478 175.375 176.870 -0.028 0.000 0.983 74 L CA -0.682 54.216 54.840 0.096 0.000 0.822 74 L CB 1.952 44.109 42.059 0.162 0.000 1.285 74 L HN 0.469 nan 8.230 nan 0.000 0.409 75 V N 3.136 122.981 119.914 -0.114 0.000 2.604 75 V HA 0.572 4.692 4.120 -0.000 0.000 0.305 75 V C -1.236 174.622 176.094 -0.394 0.000 1.043 75 V CA -0.437 61.640 62.300 -0.373 0.000 0.888 75 V CB 2.082 33.576 31.823 -0.548 0.000 0.995 75 V HN 0.849 nan 8.190 nan 0.000 0.429 76 D N 4.377 124.471 120.400 -0.510 0.000 2.456 76 D HA 0.340 4.980 4.640 -0.000 0.000 0.219 76 D C 0.388 176.533 176.300 -0.259 0.000 1.126 76 D CA 0.017 53.838 54.000 -0.297 0.000 0.890 76 D CB 0.395 41.019 40.800 -0.292 0.000 1.025 76 D HN 0.529 nan 8.370 nan 0.000 0.511 77 F N 1.681 121.624 119.950 -0.012 0.000 2.710 77 F HA 0.062 4.589 4.527 0.000 0.000 0.298 77 F C 2.145 177.989 175.800 0.073 0.000 1.137 77 F CA -0.369 57.659 58.000 0.047 0.000 1.444 77 F CB 0.295 39.352 39.000 0.095 0.000 1.111 77 F HN 0.263 nan 8.300 nan 0.000 0.580 78 R N 0.620 121.243 120.500 0.206 0.000 2.372 78 R HA -0.239 4.101 4.340 -0.000 0.000 0.254 78 R C 1.724 178.103 176.300 0.131 0.000 1.202 78 R CA 1.174 57.361 56.100 0.144 0.000 1.042 78 R CB -0.602 29.755 30.300 0.094 0.000 0.863 78 R HN 0.332 nan 8.270 nan 0.000 0.488 79 E N -0.267 120.018 120.200 0.141 0.000 2.201 79 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 79 E C 1.664 178.359 176.600 0.158 0.000 0.957 79 E CA 0.173 56.646 56.400 0.122 0.000 0.858 79 E CB -0.192 29.566 29.700 0.097 0.000 0.816 79 E HN 0.136 nan 8.360 nan 0.000 0.475 80 L N 0.972 122.340 121.223 0.242 0.000 2.044 80 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 80 L C 1.394 178.433 176.870 0.282 0.000 1.075 80 L CA 1.715 56.724 54.840 0.281 0.000 0.747 80 L CB -0.796 41.529 42.059 0.443 0.000 0.903 80 L HN 0.063 nan 8.230 nan 0.000 0.435 81 N N 0.060 118.932 118.700 0.286 0.000 2.192 81 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 81 N C 1.731 177.300 175.510 0.100 0.000 1.013 81 N CA 1.029 54.181 53.050 0.170 0.000 0.863 81 N CB -0.327 38.233 38.487 0.122 0.000 0.990 81 N HN 0.313 nan 8.380 nan 0.000 0.430 82 K N 0.797 121.257 120.400 0.100 0.000 2.209 82 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 82 K C 1.219 177.849 176.600 0.049 0.000 1.048 82 K CA 0.833 57.157 56.287 0.062 0.000 0.940 82 K CB 0.091 32.629 32.500 0.063 0.000 0.729 82 K HN 0.367 nan 8.250 nan 0.000 0.451 83 R N -0.427 120.114 120.500 0.068 0.000 2.437 83 R HA 0.136 4.476 4.340 -0.000 0.000 0.257 83 R C 0.195 176.528 176.300 0.055 0.000 0.927 83 R CA -0.065 56.059 56.100 0.040 0.000 1.078 83 R CB 0.663 30.974 30.300 0.018 0.000 1.161 83 R HN -0.134 nan 8.270 nan 0.000 0.529 84 T N 2.664 117.287 114.554 0.115 0.000 2.856 84 T HA 0.068 4.418 4.350 -0.000 0.000 0.292 84 T C 0.239 174.919 174.700 -0.033 0.000 0.980 84 T CA -0.460 61.737 62.100 0.162 0.000 1.091 84 T CB 1.333 70.374 68.868 0.289 0.000 0.936 84 T HN 0.246 nan 8.240 nan 0.000 0.503 85 Q N 2.718 122.435 119.800 -0.139 0.000 2.726 85 Q HA 0.077 4.417 4.340 -0.000 0.000 0.242 85 Q C -0.723 174.984 176.000 -0.488 0.000 1.130 85 Q CA -0.207 55.413 55.803 -0.306 0.000 1.031 85 Q CB 0.418 28.916 28.738 -0.399 0.000 1.326 85 Q HN 0.408 nan 8.270 nan 0.000 0.572 86 D N -0.024 120.117 120.400 -0.431 0.000 2.283 86 D HA 0.369 5.009 4.640 -0.000 0.000 0.248 86 D C -0.879 175.043 176.300 -0.629 0.000 1.072 86 D CA -0.016 53.760 54.000 -0.375 0.000 0.929 86 D CB 0.554 41.248 40.800 -0.176 0.000 1.182 86 D HN 0.337 nan 8.370 nan 0.000 0.433 87 F N -0.294 119.590 119.950 -0.110 0.000 2.618 87 F HA 0.272 4.799 4.527 -0.000 0.000 0.332 87 F C 0.164 175.981 175.800 0.028 0.000 1.061 87 F CA -1.205 56.750 58.000 -0.074 0.000 0.974 87 F CB 1.060 39.953 39.000 -0.178 0.000 1.310 87 F HN 0.276 nan 8.300 nan 0.000 0.491 88 W N 3.090 124.447 121.300 0.093 0.000 2.655 88 W HA 0.165 4.825 4.660 -0.000 0.000 0.333 88 W C -0.410 176.119 176.519 0.018 0.000 1.382 88 W CA -0.550 56.809 57.345 0.024 0.000 1.398 88 W CB 0.237 29.703 29.460 0.010 0.000 1.481 88 W HN 0.574 nan 8.180 nan 0.000 0.526 89 E N 3.339 123.186 120.200 -0.588 0.000 3.379 89 E HA -0.188 4.162 4.350 -0.000 0.000 0.257 89 E C 1.314 177.552 176.600 -0.603 0.000 0.882 89 E CA 0.329 56.382 56.400 -0.578 0.000 0.962 89 E CB 0.466 29.796 29.700 -0.618 0.000 0.900 89 E HN 0.412 nan 8.360 nan 0.000 0.560 90 V N 3.160 122.886 119.914 -0.313 0.000 2.225 90 V HA -0.307 3.813 4.120 -0.000 0.000 0.252 90 V C 0.883 176.862 176.094 -0.193 0.000 1.055 90 V CA 1.682 63.856 62.300 -0.211 0.000 1.032 90 V CB -0.462 31.270 31.823 -0.153 0.000 0.655 90 V HN 0.729 nan 8.190 nan 0.000 0.458 91 Q N -1.108 118.596 119.800 -0.161 0.000 3.088 91 Q HA 0.394 4.734 4.340 -0.000 0.000 0.205 91 Q C -0.594 175.376 176.000 -0.050 0.000 0.782 91 Q CA 0.356 56.113 55.803 -0.078 0.000 0.897 91 Q CB 1.131 29.890 28.738 0.034 0.000 1.495 91 Q HN 0.466 nan 8.270 nan 0.000 0.459 92 L N 0.420 121.586 121.223 -0.095 0.000 2.968 92 L HA 0.796 5.136 4.340 -0.000 0.000 0.235 92 L C 0.710 177.578 176.870 -0.005 0.000 1.323 92 L CA 0.652 55.457 54.840 -0.059 0.000 1.159 92 L CB 0.234 42.231 42.059 -0.103 0.000 1.523 92 L HN 0.429 nan 8.230 nan 0.000 0.468 93 G N 0.519 109.344 108.800 0.042 0.000 2.513 93 G HA2 0.568 4.528 3.960 -0.000 0.000 0.282 93 G HA3 0.568 4.528 3.960 -0.000 0.000 0.282 93 G C -0.714 174.268 174.900 0.136 0.000 1.397 93 G CA -0.095 45.047 45.100 0.070 0.000 1.291 93 G HN 0.971 nan 8.290 nan 0.000 0.596 94 I N 0.521 121.181 120.570 0.149 0.000 2.498 94 I HA 0.773 4.943 4.170 -0.000 0.000 0.301 94 I C -2.255 173.974 176.117 0.188 0.000 0.984 94 I CA -2.403 59.048 61.300 0.251 0.000 1.204 94 I CB 1.735 39.849 38.000 0.190 0.000 1.362 94 I HN 0.127 nan 8.210 nan 0.000 0.471 95 P HA 0.161 nan 4.420 nan 0.000 0.273 95 P C -1.146 176.154 177.300 0.001 0.000 1.250 95 P CA 0.004 63.088 63.100 -0.027 0.000 0.793 95 P CB 0.264 31.779 31.700 -0.307 0.000 1.011 96 H N 1.111 120.026 119.070 -0.258 0.000 2.466 96 H HA 0.223 4.779 4.556 0.000 0.000 0.338 96 H C -1.930 173.058 175.328 -0.567 0.000 1.091 96 H CA -2.205 53.609 56.048 -0.390 0.000 1.207 96 H CB 1.646 31.172 29.762 -0.395 0.000 1.466 96 H HN 0.166 nan 8.280 nan 0.000 0.493 97 P HA -0.192 nan 4.420 nan 0.000 0.218 97 P C 1.048 178.047 177.300 -0.500 0.000 1.154 97 P CA 2.268 64.877 63.100 -0.818 0.000 0.872 97 P CB 0.056 30.963 31.700 -1.321 0.000 0.790 98 A N -0.925 121.628 122.820 -0.446 0.000 2.225 98 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 98 A C 2.134 179.863 177.584 0.242 0.000 1.164 98 A CA 1.634 53.689 52.037 0.031 0.000 0.710 98 A CB -1.383 17.739 19.000 0.205 0.000 0.780 98 A HN 0.341 nan 8.150 nan 0.000 0.473 99 G N -1.114 107.660 108.800 -0.043 0.000 3.159 99 G HA2 0.401 4.361 3.960 -0.000 0.000 0.232 99 G HA3 0.401 4.361 3.960 -0.000 0.000 0.232 99 G C 0.366 175.257 174.900 -0.014 0.000 1.116 99 G CA -0.364 44.660 45.100 -0.126 0.000 0.767 99 G HN 0.359 nan 8.290 nan 0.000 0.547 100 L N 1.359 122.556 121.223 -0.043 0.000 2.416 100 L HA 0.284 4.624 4.340 -0.000 0.000 0.272 100 L C 0.211 177.100 176.870 0.032 0.000 1.161 100 L CA -0.211 54.545 54.840 -0.139 0.000 0.845 100 L CB 0.912 42.737 42.059 -0.390 0.000 1.119 100 L HN -0.028 nan 8.230 nan 0.000 0.464 101 K N 2.929 123.344 120.400 0.025 0.000 2.174 101 K HA 0.267 4.587 4.320 -0.000 0.000 0.275 101 K C -0.466 176.135 176.600 0.002 0.000 1.015 101 K CA -0.845 55.504 56.287 0.103 0.000 0.933 101 K CB 0.811 33.366 32.500 0.092 0.000 1.025 101 K HN 0.363 nan 8.250 nan 0.000 0.463 102 K N 2.889 123.334 120.400 0.075 0.000 2.466 102 K HA -0.044 4.276 4.320 -0.000 0.000 0.278 102 K C -0.070 176.536 176.600 0.010 0.000 1.048 102 K CA 0.633 56.964 56.287 0.073 0.000 1.088 102 K CB 0.230 32.790 32.500 0.099 0.000 0.884 102 K HN 0.210 nan 8.250 nan 0.000 0.478 103 K N 2.574 122.964 120.400 -0.017 0.000 2.281 103 K HA 0.215 4.535 4.320 -0.000 0.000 0.242 103 K C 0.506 177.106 176.600 -0.000 0.000 0.971 103 K CA -0.677 55.599 56.287 -0.019 0.000 0.834 103 K CB 1.758 34.229 32.500 -0.048 0.000 1.181 103 K HN 0.315 nan 8.250 nan 0.000 0.435 104 K N 0.578 120.973 120.400 -0.008 0.000 2.137 104 K HA 0.059 4.379 4.320 -0.000 0.000 0.202 104 K C 0.551 177.119 176.600 -0.053 0.000 1.052 104 K CA 0.773 57.052 56.287 -0.013 0.000 0.961 104 K CB 0.416 32.910 32.500 -0.010 0.000 0.741 104 K HN 0.751 nan 8.250 nan 0.000 0.452 105 S N 0.566 116.194 115.700 -0.120 0.000 2.575 105 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 105 S C -0.780 173.677 174.600 -0.238 0.000 1.139 105 S CA -0.784 57.251 58.200 -0.275 0.000 0.954 105 S CB 1.767 64.601 63.200 -0.610 0.000 1.054 105 S HN -0.108 nan 8.310 nan 0.000 0.483 106 V N 2.026 121.899 119.914 -0.068 0.000 2.823 106 V HA 0.921 5.041 4.120 -0.000 0.000 0.312 106 V C -0.378 175.868 176.094 0.253 0.000 1.072 106 V CA -0.534 61.834 62.300 0.114 0.000 0.937 106 V CB 1.984 33.917 31.823 0.183 0.000 1.013 106 V HN 0.906 nan 8.190 nan 0.000 0.430 107 T N 2.365 117.091 114.554 0.286 0.000 3.293 107 T HA 0.334 4.684 4.350 -0.000 0.000 0.320 107 T C -0.828 173.941 174.700 0.115 0.000 0.995 107 T CA -0.321 61.956 62.100 0.295 0.000 1.041 107 T CB 1.592 70.648 68.868 0.313 0.000 1.058 107 T HN 0.554 nan 8.240 nan 0.000 0.453 108 V N 5.248 125.188 119.914 0.043 0.000 2.686 108 V HA 0.675 4.795 4.120 -0.000 0.000 0.295 108 V C -0.889 175.119 176.094 -0.143 0.000 1.057 108 V CA -0.603 61.505 62.300 -0.320 0.000 1.012 108 V CB 0.849 32.324 31.823 -0.580 0.000 1.006 108 V HN 0.769 nan 8.190 nan 0.000 0.477 109 L N 4.940 126.036 121.223 -0.212 0.000 2.381 109 L HA 0.481 4.821 4.340 -0.000 0.000 0.274 109 L C -0.849 175.953 176.870 -0.112 0.000 0.988 109 L CA -0.715 54.062 54.840 -0.106 0.000 0.824 109 L CB 1.917 43.927 42.059 -0.082 0.000 1.263 109 L HN 0.750 nan 8.230 nan 0.000 0.410 110 D N 2.425 122.792 120.400 -0.055 0.000 2.304 110 D HA 0.278 4.918 4.640 -0.000 0.000 0.250 110 D C -0.763 175.527 176.300 -0.016 0.000 1.107 110 D CA -0.155 53.824 54.000 -0.035 0.000 0.885 110 D CB 2.041 42.837 40.800 -0.007 0.000 1.192 110 D HN 0.204 nan 8.370 nan 0.000 0.436 111 V N 5.410 125.322 119.914 -0.004 0.000 2.320 111 V HA 0.548 4.668 4.120 -0.000 0.000 0.268 111 V C 0.969 177.060 176.094 -0.006 0.000 1.021 111 V CA 0.129 62.445 62.300 0.026 0.000 0.813 111 V CB 0.589 32.466 31.823 0.090 0.000 1.054 111 V HN 0.770 nan 8.190 nan 0.000 0.444 112 G N 4.030 112.823 108.800 -0.011 0.000 2.705 112 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.214 112 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.214 112 G C 0.502 175.367 174.900 -0.058 0.000 1.321 112 G CA 0.826 45.904 45.100 -0.037 0.000 0.826 112 G HN 0.680 nan 8.290 nan 0.000 0.595 113 D N 1.907 122.317 120.400 0.016 0.000 2.906 113 D HA 0.332 4.972 4.640 -0.000 0.000 0.237 113 D C 1.794 178.127 176.300 0.056 0.000 1.201 113 D CA 0.530 54.587 54.000 0.097 0.000 0.998 113 D CB -0.169 40.719 40.800 0.146 0.000 1.183 113 D HN 0.275 nan 8.370 nan 0.000 0.436 114 A N 0.335 123.082 122.820 -0.121 0.000 1.862 114 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 114 A C 1.883 179.410 177.584 -0.094 0.000 1.251 114 A CA 1.354 53.236 52.037 -0.257 0.000 0.673 114 A CB -1.320 17.115 19.000 -0.941 0.000 0.843 114 A HN 0.511 nan 8.150 nan 0.000 0.458 115 Y N -1.544 118.424 120.300 -0.554 0.000 2.139 115 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 115 Y C 2.246 177.956 175.900 -0.317 0.000 1.179 115 Y CA 1.123 58.950 58.100 -0.456 0.000 1.161 115 Y CB -0.543 37.526 38.460 -0.651 0.000 0.970 115 Y HN 0.357 nan 8.280 nan 0.000 0.511 116 F N -0.797 119.239 119.950 0.144 0.000 2.771 116 F HA -0.118 4.409 4.527 0.000 0.000 0.299 116 F C 2.024 177.890 175.800 0.111 0.000 1.177 116 F CA 0.597 58.672 58.000 0.125 0.000 1.450 116 F CB -0.133 38.924 39.000 0.095 0.000 1.114 116 F HN -0.075 nan 8.300 nan 0.000 0.587 117 S N -1.024 114.818 115.700 0.237 0.000 2.486 117 S HA 0.103 4.573 4.470 -0.000 0.000 0.220 117 S C 0.666 175.372 174.600 0.177 0.000 1.011 117 S CA -0.019 58.300 58.200 0.199 0.000 0.921 117 S CB 0.203 63.521 63.200 0.195 0.000 0.785 117 S HN -0.077 nan 8.310 nan 0.000 0.517 118 V N 5.412 125.427 119.914 0.168 0.000 2.406 118 V HA 0.290 4.410 4.120 -0.000 0.000 0.272 118 V C -2.134 174.017 176.094 0.095 0.000 1.043 118 V CA -2.217 60.163 62.300 0.134 0.000 0.915 118 V CB 0.859 32.769 31.823 0.145 0.000 0.988 118 V HN 0.163 nan 8.190 nan 0.000 0.466 119 P HA 0.167 nan 4.420 nan 0.000 0.271 119 P C -0.744 176.588 177.300 0.054 0.000 1.233 119 P CA -0.298 62.852 63.100 0.082 0.000 0.789 119 P CB 1.216 32.965 31.700 0.083 0.000 0.951 120 L N 0.781 122.034 121.223 0.051 0.000 2.342 120 L HA 0.473 4.813 4.340 -0.000 0.000 0.271 120 L C -0.309 176.596 176.870 0.059 0.000 1.008 120 L CA -0.817 54.034 54.840 0.019 0.000 0.818 120 L CB 1.317 43.355 42.059 -0.035 0.000 1.296 120 L HN 0.170 nan 8.230 nan 0.000 0.427 121 D N 2.407 122.848 120.400 0.068 0.000 2.502 121 D HA -0.093 4.547 4.640 -0.000 0.000 0.249 121 D C 1.136 177.521 176.300 0.143 0.000 1.188 121 D CA 0.886 54.952 54.000 0.110 0.000 0.890 121 D CB 0.781 41.658 40.800 0.128 0.000 1.140 121 D HN 0.741 nan 8.370 nan 0.000 0.505 122 E N 2.628 122.895 120.200 0.112 0.000 2.095 122 E HA -0.302 4.048 4.350 -0.000 0.000 0.212 122 E C 0.997 177.669 176.600 0.120 0.000 1.044 122 E CA 2.159 58.621 56.400 0.102 0.000 0.857 122 E CB 0.147 29.895 29.700 0.080 0.000 0.764 122 E HN 0.593 nan 8.360 nan 0.000 0.462 123 D N -1.018 119.469 120.400 0.146 0.000 2.263 123 D HA -0.155 4.485 4.640 -0.000 0.000 0.208 123 D C 1.453 177.900 176.300 0.244 0.000 0.971 123 D CA 0.728 54.826 54.000 0.164 0.000 0.867 123 D CB -0.128 40.781 40.800 0.181 0.000 0.929 123 D HN 0.245 nan 8.370 nan 0.000 0.492 124 F N 1.087 121.114 119.950 0.129 0.000 2.698 124 F HA 0.116 4.643 4.527 0.000 0.000 0.295 124 F C 2.133 177.997 175.800 0.107 0.000 1.124 124 F CA -0.032 58.095 58.000 0.212 0.000 1.426 124 F CB 0.278 39.358 39.000 0.133 0.000 1.120 124 F HN -0.267 nan 8.300 nan 0.000 0.583 125 R N 1.159 121.748 120.500 0.148 0.000 2.113 125 R HA -0.244 4.096 4.340 -0.000 0.000 0.244 125 R C 2.257 178.547 176.300 -0.016 0.000 1.142 125 R CA 2.151 58.296 56.100 0.074 0.000 0.953 125 R CB -0.745 29.609 30.300 0.091 0.000 0.860 125 R HN 0.364 nan 8.270 nan 0.000 0.438 126 K N 0.139 120.462 120.400 -0.128 0.000 2.281 126 K HA -0.188 4.132 4.320 -0.000 0.000 0.203 126 K C 1.052 177.472 176.600 -0.301 0.000 1.046 126 K CA 1.670 57.838 56.287 -0.198 0.000 0.938 126 K CB -0.276 32.054 32.500 -0.283 0.000 0.737 126 K HN 0.340 nan 8.250 nan 0.000 0.458 127 Y N 2.169 122.254 120.300 -0.358 0.000 2.529 127 Y HA 0.012 4.562 4.550 0.000 0.000 0.290 127 Y C 1.978 177.743 175.900 -0.226 0.000 1.177 127 Y CA 0.814 58.609 58.100 -0.508 0.000 1.305 127 Y CB 0.302 38.230 38.460 -0.887 0.000 1.047 127 Y HN 0.302 nan 8.280 nan 0.000 0.522 128 T N -3.165 111.422 114.554 0.056 0.000 3.069 128 T HA 0.416 4.766 4.350 -0.000 0.000 0.252 128 T C 0.944 175.884 174.700 0.401 0.000 1.053 128 T CA -0.052 62.199 62.100 0.252 0.000 0.964 128 T CB -0.238 68.754 68.868 0.208 0.000 1.005 128 T HN 0.172 nan 8.240 nan 0.000 0.532 129 A N 2.305 125.311 122.820 0.310 0.000 2.566 129 A HA 0.472 4.792 4.320 -0.000 0.000 0.245 129 A C 0.096 177.916 177.584 0.393 0.000 1.056 129 A CA -0.308 51.934 52.037 0.342 0.000 0.757 129 A CB -0.788 18.325 19.000 0.188 0.000 0.979 129 A HN 0.654 nan 8.150 nan 0.000 0.508 130 F N 0.632 120.653 119.950 0.118 0.000 2.594 130 F HA 0.867 5.394 4.527 0.000 0.000 0.335 130 F C 0.035 175.869 175.800 0.057 0.000 1.058 130 F CA -1.419 56.619 58.000 0.063 0.000 0.981 130 F CB 1.198 40.231 39.000 0.055 0.000 1.289 130 F HN 0.358 nan 8.300 nan 0.000 0.490 131 T N 2.097 116.665 114.554 0.023 0.000 2.879 131 T HA 0.589 4.939 4.350 -0.000 0.000 0.290 131 T C -0.912 173.761 174.700 -0.045 0.000 0.993 131 T CA -0.533 61.504 62.100 -0.105 0.000 0.975 131 T CB 0.580 69.421 68.868 -0.045 0.000 0.981 131 T HN 0.626 nan 8.240 nan 0.000 0.439 132 I N 7.853 128.361 120.570 -0.102 0.000 2.325 132 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 132 I C -1.777 174.322 176.117 -0.030 0.000 1.019 132 I CA -2.308 58.981 61.300 -0.019 0.000 1.302 132 I CB 1.739 39.736 38.000 -0.006 0.000 1.401 132 I HN 0.437 nan 8.210 nan 0.000 0.485 133 P HA 0.085 nan 4.420 nan 0.000 0.276 133 P C -0.272 177.016 177.300 -0.021 0.000 1.235 133 P CA -0.286 62.809 63.100 -0.008 0.000 0.772 133 P CB 1.013 32.721 31.700 0.014 0.000 0.871 134 S N 3.821 119.504 115.700 -0.028 0.000 2.589 134 S HA 0.098 4.568 4.470 -0.000 0.000 0.265 134 S C 1.808 176.393 174.600 -0.026 0.000 1.342 134 S CA -0.709 57.472 58.200 -0.031 0.000 1.005 134 S CB 0.016 63.195 63.200 -0.034 0.000 0.909 134 S HN 0.347 nan 8.310 nan 0.000 0.555 135 I N 1.779 122.333 120.570 -0.027 0.000 2.064 135 I HA -0.298 3.872 4.170 -0.000 0.000 0.234 135 I C 2.197 178.302 176.117 -0.019 0.000 1.019 135 I CA 2.612 63.897 61.300 -0.024 0.000 1.301 135 I CB -2.312 35.674 38.000 -0.023 0.000 1.017 135 I HN 0.939 nan 8.210 nan 0.000 0.392 136 N N -0.325 118.364 118.700 -0.018 0.000 2.833 136 N HA 0.147 4.887 4.740 -0.000 0.000 0.168 136 N C 1.492 176.993 175.510 -0.015 0.000 1.383 136 N CA 0.646 53.687 53.050 -0.014 0.000 1.103 136 N CB -1.109 37.370 38.487 -0.012 0.000 1.235 136 N HN 0.406 nan 8.380 nan 0.000 0.437 137 N N 0.536 119.227 118.700 -0.015 0.000 2.250 137 N HA 0.105 4.845 4.740 -0.000 0.000 0.190 137 N C 0.709 176.207 175.510 -0.020 0.000 1.116 137 N CA 0.700 53.740 53.050 -0.016 0.000 0.881 137 N CB -0.298 38.181 38.487 -0.014 0.000 1.006 137 N HN 0.814 nan 8.380 nan 0.000 0.491 138 E N 0.254 120.442 120.200 -0.021 0.000 3.057 138 E HA 0.210 4.560 4.350 -0.000 0.000 0.314 138 E C 0.178 176.760 176.600 -0.030 0.000 1.433 138 E CA 0.302 56.688 56.400 -0.024 0.000 1.546 138 E CB -1.212 28.474 29.700 -0.023 0.000 1.224 138 E HN 0.442 nan 8.360 nan 0.000 0.483 139 T N 1.992 116.528 114.554 -0.031 0.000 3.145 139 T HA 0.298 4.648 4.350 -0.000 0.000 0.348 139 T C -1.375 173.298 174.700 -0.045 0.000 1.299 139 T CA -1.765 60.313 62.100 -0.037 0.000 1.037 139 T CB 0.383 69.232 68.868 -0.032 0.000 1.122 139 T HN 0.024 nan 8.240 nan 0.000 0.600 140 P HA 0.304 nan 4.420 nan 0.000 0.222 140 P C 0.668 177.923 177.300 -0.075 0.000 1.157 140 P CA 0.759 63.823 63.100 -0.061 0.000 0.816 140 P CB 0.333 31.994 31.700 -0.065 0.000 0.813 141 G N 0.721 109.471 108.800 -0.084 0.000 3.055 141 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.654 141 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.654 141 G C -0.717 174.091 174.900 -0.154 0.000 1.134 141 G CA -0.720 44.318 45.100 -0.103 0.000 1.049 141 G HN 0.370 nan 8.290 nan 0.000 0.458 142 I N 2.622 123.084 120.570 -0.179 0.000 2.306 142 I HA 0.625 4.795 4.170 -0.000 0.000 0.288 142 I C 0.375 176.253 176.117 -0.397 0.000 1.036 142 I CA -0.898 60.228 61.300 -0.290 0.000 1.221 142 I CB 0.232 38.087 38.000 -0.242 0.000 1.385 142 I HN 0.488 nan 8.210 nan 0.000 0.472 143 R N 5.969 126.169 120.500 -0.498 0.000 2.599 143 R HA 0.585 4.925 4.340 -0.000 0.000 0.295 143 R C -1.669 174.228 176.300 -0.671 0.000 0.963 143 R CA -0.473 55.312 56.100 -0.525 0.000 0.883 143 R CB 2.022 32.146 30.300 -0.293 0.000 1.171 143 R HN 0.456 nan 8.270 nan 0.000 0.450 144 Y N 0.399 120.289 120.300 -0.684 0.000 2.602 144 Y HA 0.353 4.903 4.550 -0.000 0.000 0.342 144 Y C -0.140 175.716 175.900 -0.074 0.000 1.029 144 Y CA -0.924 56.921 58.100 -0.426 0.000 1.080 144 Y CB 2.224 40.420 38.460 -0.440 0.000 1.284 144 Y HN 0.460 nan 8.280 nan 0.000 0.485 145 Q N 0.119 120.114 119.800 0.325 0.000 2.397 145 Q HA 0.501 4.841 4.340 -0.000 0.000 0.275 145 Q C -2.041 174.148 176.000 0.316 0.000 1.090 145 Q CA -1.052 54.975 55.803 0.373 0.000 0.809 145 Q CB 1.924 30.790 28.738 0.213 0.000 1.362 145 Q HN 0.649 nan 8.270 nan 0.000 0.431 146 Y N 1.410 121.858 120.300 0.248 0.000 2.326 146 Y HA 0.167 4.717 4.550 0.000 0.000 0.333 146 Y C 0.839 176.802 175.900 0.104 0.000 1.240 146 Y CA 0.213 58.410 58.100 0.162 0.000 1.365 146 Y CB 0.866 39.386 38.460 0.100 0.000 1.289 146 Y HN 0.730 nan 8.280 nan 0.000 0.548 147 N N 1.031 119.885 118.700 0.257 0.000 2.200 147 N HA 0.160 4.900 4.740 -0.000 0.000 0.224 147 N C -0.962 174.648 175.510 0.166 0.000 1.179 147 N CA 0.315 53.467 53.050 0.169 0.000 0.877 147 N CB 0.994 39.557 38.487 0.127 0.000 1.072 147 N HN 0.380 nan 8.380 nan 0.000 0.519 148 V N -3.248 116.799 119.914 0.220 0.000 3.181 148 V HA 0.507 4.627 4.120 -0.000 0.000 0.307 148 V C -0.477 175.633 176.094 0.026 0.000 1.310 148 V CA -1.148 61.245 62.300 0.154 0.000 1.067 148 V CB 1.702 33.669 31.823 0.240 0.000 1.081 148 V HN -0.159 nan 8.190 nan 0.000 0.453 149 L N 2.323 123.503 121.223 -0.072 0.000 2.565 149 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 149 L C -2.198 174.471 176.870 -0.335 0.000 1.137 149 L CA -1.018 53.698 54.840 -0.207 0.000 0.915 149 L CB 0.136 42.047 42.059 -0.247 0.000 1.232 149 L HN 0.487 nan 8.230 nan 0.000 0.473 150 P HA -0.058 nan 4.420 nan 0.000 0.268 150 P C 0.293 177.430 177.300 -0.271 0.000 1.205 150 P CA -0.076 62.641 63.100 -0.638 0.000 0.771 150 P CB 0.549 31.635 31.700 -1.023 0.000 0.858 151 Q N 2.118 121.836 119.800 -0.137 0.000 2.439 151 Q HA -0.085 4.255 4.340 -0.000 0.000 0.211 151 Q C 0.937 176.974 176.000 0.062 0.000 0.978 151 Q CA 1.596 57.380 55.803 -0.030 0.000 0.897 151 Q CB -0.388 28.391 28.738 0.068 0.000 0.956 151 Q HN 0.701 nan 8.270 nan 0.000 0.483 152 G N -0.671 108.198 108.800 0.116 0.000 4.165 152 G HA2 0.022 3.982 3.960 -0.000 0.000 0.287 152 G HA3 0.022 3.982 3.960 -0.000 0.000 0.287 152 G C -0.831 174.135 174.900 0.110 0.000 1.019 152 G CA -0.634 44.555 45.100 0.148 0.000 0.806 152 G HN 0.255 nan 8.290 nan 0.000 0.447 153 W N 1.739 122.832 121.300 -0.345 0.000 2.126 153 W HA 0.370 5.030 4.660 0.000 0.000 0.346 153 W C 1.440 177.812 176.519 -0.246 0.000 1.279 153 W CA -0.582 56.487 57.345 -0.460 0.000 1.259 153 W CB 1.131 30.165 29.460 -0.710 0.000 1.133 153 W HN -0.048 nan 8.180 nan 0.000 0.592 154 K N 1.642 121.629 120.400 -0.689 0.000 2.097 154 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 154 K C 1.504 177.556 176.600 -0.913 0.000 1.050 154 K CA 1.589 57.496 56.287 -0.634 0.000 0.938 154 K CB -0.606 31.640 32.500 -0.423 0.000 0.718 154 K HN 0.687 nan 8.250 nan 0.000 0.442 155 G N -0.376 107.323 108.800 -1.835 0.000 3.371 155 G HA2 0.008 3.968 3.960 -0.000 0.000 0.248 155 G HA3 0.008 3.968 3.960 -0.000 0.000 0.248 155 G C 0.907 175.063 174.900 -1.241 0.000 1.161 155 G CA -0.264 43.614 45.100 -2.037 0.000 0.796 155 G HN 0.144 nan 8.290 nan 0.000 0.539 156 S N 1.419 116.675 115.700 -0.740 0.000 2.362 156 S HA -0.016 4.454 4.470 -0.000 0.000 0.221 156 S C -0.026 174.131 174.600 -0.740 0.000 1.032 156 S CA 0.963 58.790 58.200 -0.621 0.000 0.973 156 S CB -0.307 62.584 63.200 -0.514 0.000 0.849 156 S HN 0.275 nan 8.310 nan 0.000 0.465 157 P HA 0.019 nan 4.420 nan 0.000 0.217 157 P C 1.285 178.453 177.300 -0.220 0.000 1.150 157 P CA 1.241 64.204 63.100 -0.229 0.000 0.832 157 P CB -0.068 31.569 31.700 -0.104 0.000 0.787 158 A N -0.314 122.305 122.820 -0.335 0.000 1.855 158 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 158 A C 2.171 179.591 177.584 -0.273 0.000 1.191 158 A CA 1.365 53.234 52.037 -0.279 0.000 0.613 158 A CB -1.615 17.191 19.000 -0.323 0.000 0.829 158 A HN 0.094 nan 8.150 nan 0.000 0.442 159 I N -1.459 118.870 120.570 -0.402 0.000 2.567 159 I HA -0.195 3.975 4.170 -0.000 0.000 0.257 159 I C 2.253 178.251 176.117 -0.198 0.000 1.184 159 I CA 1.108 62.236 61.300 -0.285 0.000 1.451 159 I CB -0.266 37.551 38.000 -0.305 0.000 1.089 159 I HN 0.459 nan 8.210 nan 0.000 0.441 160 F N 1.533 121.265 119.950 -0.363 0.000 2.118 160 F HA -0.169 4.358 4.527 -0.000 0.000 0.293 160 F C 2.616 178.309 175.800 -0.178 0.000 1.102 160 F CA 1.597 59.422 58.000 -0.292 0.000 1.247 160 F CB -0.539 38.231 39.000 -0.383 0.000 1.017 160 F HN -0.035 nan 8.300 nan 0.000 0.475 161 Q N -0.176 119.435 119.800 -0.315 0.000 2.061 161 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 161 Q C 2.455 178.274 176.000 -0.301 0.000 0.984 161 Q CA 2.241 57.841 55.803 -0.339 0.000 0.846 161 Q CB -0.477 28.177 28.738 -0.141 0.000 0.902 161 Q HN 0.496 nan 8.270 nan 0.000 0.421 162 S N -0.417 115.158 115.700 -0.209 0.000 2.353 162 S HA -0.162 4.308 4.470 -0.000 0.000 0.222 162 S C 2.073 176.546 174.600 -0.212 0.000 1.035 162 S CA 1.866 59.971 58.200 -0.157 0.000 1.025 162 S CB -0.355 62.785 63.200 -0.100 0.000 0.902 162 S HN 0.487 nan 8.310 nan 0.000 0.440 163 S N 1.056 116.605 115.700 -0.251 0.000 2.382 163 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 163 S C 1.813 176.202 174.600 -0.351 0.000 1.027 163 S CA 1.636 59.684 58.200 -0.254 0.000 0.991 163 S CB -0.475 62.611 63.200 -0.191 0.000 0.823 163 S HN 0.608 nan 8.310 nan 0.000 0.469 164 M N 1.805 121.096 119.600 -0.514 0.000 2.132 164 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 164 M C 2.006 178.103 176.300 -0.338 0.000 1.065 164 M CA 1.646 56.642 55.300 -0.507 0.000 1.122 164 M CB -1.312 30.854 32.600 -0.723 0.000 1.365 164 M HN 0.114 nan 8.290 nan 0.000 0.411 165 T N 0.744 115.132 114.554 -0.276 0.000 2.803 165 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 165 T C 1.712 176.309 174.700 -0.173 0.000 1.052 165 T CA 1.532 63.524 62.100 -0.180 0.000 1.136 165 T CB -0.158 68.630 68.868 -0.132 0.000 0.864 165 T HN 0.470 nan 8.240 nan 0.000 0.467 166 K N 0.201 120.472 120.400 -0.215 0.000 2.243 166 K HA 0.198 4.518 4.320 -0.000 0.000 0.201 166 K C 2.102 178.493 176.600 -0.347 0.000 1.051 166 K CA 0.594 56.748 56.287 -0.221 0.000 0.970 166 K CB -0.055 32.323 32.500 -0.202 0.000 0.755 166 K HN 0.344 nan 8.250 nan 0.000 0.465 167 I N 1.260 121.544 120.570 -0.476 0.000 2.353 167 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 167 I C 2.091 178.018 176.117 -0.317 0.000 1.119 167 I CA 1.020 61.854 61.300 -0.777 0.000 1.417 167 I CB -0.088 37.439 38.000 -0.788 0.000 1.078 167 I HN 0.097 nan 8.210 nan 0.000 0.421 168 L N 0.216 121.340 121.223 -0.166 0.000 2.141 168 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 168 L C 2.432 179.342 176.870 0.067 0.000 1.094 168 L CA 1.284 56.127 54.840 0.006 0.000 0.763 168 L CB -0.567 41.472 42.059 -0.032 0.000 0.908 168 L HN 0.290 nan 8.230 nan 0.000 0.437 169 E N 0.411 120.604 120.200 -0.012 0.000 2.058 169 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 169 E C -0.693 175.907 176.600 -0.001 0.000 0.997 169 E CA 1.339 57.736 56.400 -0.004 0.000 0.801 169 E CB -0.930 28.752 29.700 -0.030 0.000 0.746 169 E HN 0.473 nan 8.360 nan 0.000 0.450 170 P HA -0.176 nan 4.420 nan 0.000 0.228 170 P C 0.998 178.251 177.300 -0.079 0.000 1.151 170 P CA 1.072 64.182 63.100 0.016 0.000 0.770 170 P CB -0.075 31.705 31.700 0.133 0.000 0.786 171 F N 2.377 122.163 119.950 -0.275 0.000 2.446 171 F HA 0.092 4.619 4.527 -0.000 0.000 0.292 171 F C 1.882 177.581 175.800 -0.168 0.000 1.096 171 F CA 0.523 58.307 58.000 -0.360 0.000 1.438 171 F CB 0.060 38.721 39.000 -0.566 0.000 1.107 171 F HN -0.189 nan 8.300 nan 0.000 0.546 172 K N -0.265 120.090 120.400 -0.076 0.000 2.404 172 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 172 K C 1.566 178.077 176.600 -0.148 0.000 1.023 172 K CA 0.282 56.497 56.287 -0.120 0.000 1.094 172 K CB 0.084 32.619 32.500 0.058 0.000 0.841 172 K HN 0.192 nan 8.250 nan 0.000 0.523 173 K N 1.303 121.612 120.400 -0.152 0.000 2.262 173 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 173 K C 1.680 178.189 176.600 -0.151 0.000 1.049 173 K CA 0.661 56.880 56.287 -0.112 0.000 0.979 173 K CB 0.361 32.818 32.500 -0.073 0.000 0.773 173 K HN 0.225 nan 8.250 nan 0.000 0.474 174 Q N -0.378 119.279 119.800 -0.240 0.000 2.376 174 Q HA 0.084 4.424 4.340 -0.000 0.000 0.206 174 Q C -0.081 175.744 176.000 -0.293 0.000 0.921 174 Q CA 0.412 56.070 55.803 -0.242 0.000 0.911 174 Q CB 0.540 29.120 28.738 -0.263 0.000 1.032 174 Q HN 0.151 nan 8.270 nan 0.000 0.510 175 N N 1.109 119.565 118.700 -0.406 0.000 2.886 175 N HA 0.161 4.901 4.740 -0.000 0.000 0.285 175 N C -2.319 173.072 175.510 -0.199 0.000 1.706 175 N CA -1.041 51.797 53.050 -0.353 0.000 0.904 175 N CB 1.344 39.470 38.487 -0.602 0.000 1.224 175 N HN 0.008 nan 8.380 nan 0.000 0.488 176 P HA -0.165 nan 4.420 nan 0.000 0.217 176 P C 0.870 178.148 177.300 -0.037 0.000 1.148 176 P CA 1.355 64.413 63.100 -0.070 0.000 0.834 176 P CB 0.214 31.879 31.700 -0.058 0.000 0.783 177 D N -1.544 118.837 120.400 -0.031 0.000 2.363 177 D HA -0.042 4.598 4.640 -0.000 0.000 0.226 177 D C 0.665 176.981 176.300 0.028 0.000 1.020 177 D CA 0.333 54.334 54.000 0.001 0.000 0.892 177 D CB -0.463 40.341 40.800 0.007 0.000 0.900 177 D HN 0.213 nan 8.370 nan 0.000 0.531 178 I N 0.984 121.569 120.570 0.026 0.000 2.359 178 I HA 0.207 4.377 4.170 -0.000 0.000 0.294 178 I C -0.355 175.810 176.117 0.081 0.000 0.987 178 I CA -0.976 60.370 61.300 0.076 0.000 1.225 178 I CB 2.294 40.363 38.000 0.116 0.000 1.366 178 I HN -0.188 nan 8.210 nan 0.000 0.466 179 V N 8.248 128.216 119.914 0.090 0.000 2.581 179 V HA 0.568 4.688 4.120 -0.000 0.000 0.303 179 V C -0.405 175.750 176.094 0.102 0.000 1.041 179 V CA -0.442 61.906 62.300 0.078 0.000 0.907 179 V CB 2.082 33.937 31.823 0.052 0.000 0.994 179 V HN 0.482 nan 8.190 nan 0.000 0.442 180 I N 6.477 127.110 120.570 0.104 0.000 2.499 180 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 180 I C -1.680 174.529 176.117 0.154 0.000 1.048 180 I CA -0.741 60.628 61.300 0.114 0.000 1.062 180 I CB 1.934 39.983 38.000 0.082 0.000 1.238 180 I HN 0.668 nan 8.210 nan 0.000 0.426 181 Y N 6.129 126.451 120.300 0.037 0.000 2.328 181 Y HA 0.445 4.995 4.550 0.000 0.000 0.337 181 Y C -0.586 175.383 175.900 0.114 0.000 0.966 181 Y CA -0.665 57.459 58.100 0.040 0.000 1.136 181 Y CB 1.196 39.633 38.460 -0.038 0.000 1.170 181 Y HN 0.504 nan 8.280 nan 0.000 0.470 182 Q N 5.372 124.847 119.800 -0.542 0.000 2.243 182 Q HA 0.361 4.701 4.340 -0.000 0.000 0.252 182 Q C -1.860 173.795 176.000 -0.576 0.000 0.909 182 Q CA -0.657 54.890 55.803 -0.427 0.000 0.922 182 Q CB 2.129 30.737 28.738 -0.216 0.000 1.215 182 Q HN 0.719 nan 8.270 nan 0.000 0.427 183 Y N 4.177 124.280 120.300 -0.329 0.000 2.287 183 Y HA 0.176 4.726 4.550 -0.000 0.000 0.321 183 Y C -0.330 175.621 175.900 0.085 0.000 1.173 183 Y CA -0.585 57.468 58.100 -0.077 0.000 1.124 183 Y CB 0.609 39.145 38.460 0.126 0.000 1.201 183 Y HN 0.737 nan 8.280 nan 0.000 0.421 184 M N 1.737 121.040 119.600 -0.494 0.000 7.319 184 M HA -0.344 4.136 4.480 -0.000 0.000 0.312 184 M C 0.401 176.698 176.300 -0.005 0.000 0.480 184 M CA 2.460 57.589 55.300 -0.286 0.000 1.311 184 M CB -1.636 30.745 32.600 -0.366 0.000 0.421 184 M HN 0.825 nan 8.290 nan 0.000 0.740 185 D N 0.593 120.985 120.400 -0.013 0.000 2.463 185 D HA 0.373 5.013 4.640 -0.000 0.000 0.224 185 D C -0.585 175.738 176.300 0.037 0.000 1.174 185 D CA -0.094 53.920 54.000 0.023 0.000 0.829 185 D CB -0.171 40.555 40.800 -0.123 0.000 0.993 185 D HN 0.261 nan 8.370 nan 0.000 0.497 186 D N 0.623 121.051 120.400 0.047 0.000 2.192 186 D HA 0.362 5.002 4.640 -0.000 0.000 0.246 186 D C -0.216 175.996 176.300 -0.146 0.000 1.042 186 D CA -0.410 53.545 54.000 -0.075 0.000 0.847 186 D CB 2.136 42.894 40.800 -0.070 0.000 1.186 186 D HN 0.068 nan 8.370 nan 0.000 0.461 187 L N 2.404 123.480 121.223 -0.244 0.000 2.313 187 L HA 0.354 4.694 4.340 -0.000 0.000 0.283 187 L C -0.998 175.684 176.870 -0.313 0.000 1.013 187 L CA -0.855 53.873 54.840 -0.186 0.000 0.816 187 L CB 0.980 42.969 42.059 -0.117 0.000 1.236 187 L HN 0.280 nan 8.230 nan 0.000 0.419 188 Y N 2.723 122.982 120.300 -0.068 0.000 2.334 188 Y HA 0.429 4.979 4.550 0.000 0.000 0.336 188 Y C 0.006 175.892 175.900 -0.022 0.000 0.960 188 Y CA -0.723 57.322 58.100 -0.091 0.000 1.164 188 Y CB 1.800 40.176 38.460 -0.140 0.000 1.155 188 Y HN 0.156 nan 8.280 nan 0.000 0.478 189 V N 3.024 123.009 119.914 0.117 0.000 2.472 189 V HA 0.865 4.985 4.120 -0.000 0.000 0.290 189 V C 0.326 176.538 176.094 0.198 0.000 1.037 189 V CA -0.688 61.694 62.300 0.136 0.000 0.908 189 V CB 1.467 33.346 31.823 0.094 0.000 0.985 189 V HN 0.901 nan 8.190 nan 0.000 0.454 190 G N 2.145 111.052 108.800 0.177 0.000 2.563 190 G HA2 0.805 4.765 3.960 -0.000 0.000 0.302 190 G HA3 0.805 4.765 3.960 -0.000 0.000 0.302 190 G C -0.778 174.227 174.900 0.176 0.000 1.301 190 G CA -0.011 45.183 45.100 0.157 0.000 0.965 190 G HN 1.137 nan 8.290 nan 0.000 0.480 191 S N -0.630 115.162 115.700 0.154 0.000 2.655 191 S HA 0.523 4.993 4.470 -0.000 0.000 0.266 191 S C -1.419 173.227 174.600 0.076 0.000 1.149 191 S CA -0.684 57.603 58.200 0.146 0.000 0.818 191 S CB 2.045 65.407 63.200 0.271 0.000 1.130 191 S HN 0.278 nan 8.310 nan 0.000 0.476 192 D N 0.676 121.118 120.400 0.070 0.000 2.538 192 D HA 0.409 5.049 4.640 -0.000 0.000 0.231 192 D C -0.086 176.242 176.300 0.047 0.000 1.229 192 D CA -0.023 54.000 54.000 0.040 0.000 0.828 192 D CB 0.089 40.905 40.800 0.027 0.000 1.035 192 D HN 0.469 nan 8.370 nan 0.000 0.495 193 L N 0.199 121.470 121.223 0.081 0.000 2.416 193 L HA 0.366 4.706 4.340 -0.000 0.000 0.262 193 L C 0.862 177.773 176.870 0.069 0.000 1.093 193 L CA -0.949 53.941 54.840 0.084 0.000 0.801 193 L CB 0.653 42.786 42.059 0.124 0.000 1.191 193 L HN -0.249 nan 8.230 nan 0.000 0.459 194 E N 0.776 121.012 120.200 0.061 0.000 2.384 194 E HA -0.006 4.344 4.350 -0.000 0.000 0.266 194 E C 0.766 177.409 176.600 0.073 0.000 1.012 194 E CA 0.349 56.779 56.400 0.048 0.000 0.901 194 E CB 0.778 30.503 29.700 0.041 0.000 0.967 194 E HN 0.498 nan 8.360 nan 0.000 0.435 195 I N 3.489 124.089 120.570 0.050 0.000 2.462 195 I HA -0.317 3.853 4.170 -0.000 0.000 0.259 195 I C 1.478 177.665 176.117 0.117 0.000 1.156 195 I CA 1.985 63.328 61.300 0.071 0.000 1.417 195 I CB -0.014 38.008 38.000 0.037 0.000 1.088 195 I HN 0.682 nan 8.210 nan 0.000 0.442 196 G N -0.619 108.233 108.800 0.087 0.000 2.404 196 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.214 196 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.214 196 G C 1.456 176.409 174.900 0.089 0.000 1.189 196 G CA 0.658 45.805 45.100 0.078 0.000 0.789 196 G HN 0.505 nan 8.290 nan 0.000 0.533 197 Q N -0.636 119.216 119.800 0.088 0.000 2.364 197 Q HA -0.116 4.224 4.340 -0.000 0.000 0.207 197 Q C 2.047 178.109 176.000 0.104 0.000 0.970 197 Q CA 1.183 57.033 55.803 0.079 0.000 0.888 197 Q CB -0.108 28.668 28.738 0.064 0.000 0.951 197 Q HN 0.772 nan 8.270 nan 0.000 0.469 198 H N -0.134 118.964 119.070 0.047 0.000 2.343 198 H HA 0.096 4.652 4.556 -0.000 0.000 0.303 198 H C 1.636 177.003 175.328 0.065 0.000 1.068 198 H CA 1.282 57.365 56.048 0.058 0.000 1.359 198 H CB 0.314 30.110 29.762 0.058 0.000 1.402 198 H HN 0.068 nan 8.280 nan 0.000 0.515 199 R N -0.385 120.192 120.500 0.128 0.000 2.285 199 R HA -0.056 4.284 4.340 -0.000 0.000 0.213 199 R C 1.602 177.914 176.300 0.019 0.000 1.068 199 R CA 1.337 57.478 56.100 0.068 0.000 1.004 199 R CB -0.014 30.352 30.300 0.109 0.000 0.873 199 R HN 0.399 nan 8.270 nan 0.000 0.467 200 T N 0.710 115.277 114.554 0.022 0.000 2.851 200 T HA -0.016 4.334 4.350 -0.000 0.000 0.262 200 T C 1.716 176.428 174.700 0.021 0.000 1.043 200 T CA 0.669 62.785 62.100 0.026 0.000 1.140 200 T CB 0.116 69.004 68.868 0.034 0.000 0.872 200 T HN 0.029 nan 8.240 nan 0.000 0.446 201 K N 1.254 121.649 120.400 -0.008 0.000 2.026 201 K HA 0.064 4.384 4.320 -0.000 0.000 0.208 201 K C 2.170 178.782 176.600 0.020 0.000 1.048 201 K CA 0.760 57.064 56.287 0.029 0.000 0.929 201 K CB -0.632 31.863 32.500 -0.009 0.000 0.713 201 K HN 0.271 nan 8.250 nan 0.000 0.439 202 I N 1.459 121.968 120.570 -0.102 0.000 2.335 202 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 202 I C 2.214 178.314 176.117 -0.029 0.000 1.129 202 I CA 1.325 62.572 61.300 -0.087 0.000 1.402 202 I CB -0.971 36.973 38.000 -0.093 0.000 1.069 202 I HN 0.190 nan 8.210 nan 0.000 0.424 203 E N 1.233 121.435 120.200 0.003 0.000 2.072 203 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 203 E C 2.067 178.693 176.600 0.044 0.000 0.982 203 E CA 1.192 57.605 56.400 0.023 0.000 0.803 203 E CB -0.026 29.693 29.700 0.032 0.000 0.755 203 E HN 0.472 nan 8.360 nan 0.000 0.453 204 E N -0.018 120.233 120.200 0.085 0.000 2.051 204 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 204 E C 2.076 178.762 176.600 0.144 0.000 0.991 204 E CA 1.103 57.598 56.400 0.157 0.000 0.799 204 E CB -0.268 29.574 29.700 0.238 0.000 0.748 204 E HN 0.191 nan 8.360 nan 0.000 0.449 205 L N 1.770 122.995 121.223 0.004 0.000 2.013 205 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 205 L C 2.155 178.925 176.870 -0.166 0.000 1.073 205 L CA 1.789 56.369 54.840 -0.434 0.000 0.753 205 L CB -0.309 41.402 42.059 -0.581 0.000 0.890 205 L HN -0.042 nan 8.230 nan 0.000 0.432 206 R N -1.080 119.376 120.500 -0.074 0.000 2.105 206 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 206 R C 2.291 178.598 176.300 0.010 0.000 1.135 206 R CA 1.543 57.625 56.100 -0.031 0.000 0.967 206 R CB -0.407 29.887 30.300 -0.010 0.000 0.861 206 R HN 0.416 nan 8.270 nan 0.000 0.442 207 Q N -0.240 119.588 119.800 0.047 0.000 2.172 207 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 207 Q C 1.788 177.856 176.000 0.113 0.000 0.964 207 Q CA 1.563 57.410 55.803 0.073 0.000 0.855 207 Q CB -0.194 28.596 28.738 0.087 0.000 0.918 207 Q HN 0.412 nan 8.270 nan 0.000 0.444 208 H N -0.257 118.849 119.070 0.061 0.000 2.293 208 H HA -0.054 4.502 4.556 0.000 0.000 0.300 208 H C 1.657 177.100 175.328 0.192 0.000 1.082 208 H CA 2.043 58.175 56.048 0.140 0.000 1.308 208 H CB -0.347 29.477 29.762 0.103 0.000 1.375 208 H HN 0.255 nan 8.280 nan 0.000 0.495 209 L N -0.487 120.682 121.223 -0.090 0.000 2.042 209 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 209 L C 2.482 179.362 176.870 0.016 0.000 1.076 209 L CA 1.018 55.809 54.840 -0.081 0.000 0.749 209 L CB -0.522 41.502 42.059 -0.058 0.000 0.893 209 L HN 0.305 nan 8.230 nan 0.000 0.432 210 L N 0.066 121.298 121.223 0.015 0.000 2.127 210 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 210 L C 2.633 179.503 176.870 -0.001 0.000 1.089 210 L CA 1.690 56.541 54.840 0.019 0.000 0.757 210 L CB -0.573 41.496 42.059 0.018 0.000 0.899 210 L HN 0.138 nan 8.230 nan 0.000 0.434 211 R N -2.560 117.924 120.500 -0.027 0.000 2.189 211 R HA -0.141 4.199 4.340 -0.000 0.000 0.218 211 R C 1.430 177.571 176.300 -0.265 0.000 1.074 211 R CA 1.247 57.267 56.100 -0.134 0.000 0.991 211 R CB -0.320 29.892 30.300 -0.147 0.000 0.883 211 R HN 0.388 nan 8.270 nan 0.000 0.457 212 W N -0.046 121.176 121.300 -0.131 0.000 3.353 212 W HA 0.222 4.882 4.660 0.000 0.000 0.304 212 W C 1.156 177.647 176.519 -0.047 0.000 1.273 212 W CA 0.708 57.991 57.345 -0.103 0.000 1.773 212 W CB 0.550 29.909 29.460 -0.169 0.000 1.095 212 W HN 0.295 nan 8.180 nan 0.000 0.676 213 G N 0.070 108.922 108.800 0.087 0.000 2.199 213 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 213 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 213 G C 0.119 175.081 174.900 0.102 0.000 0.982 213 G CA -0.120 45.028 45.100 0.081 0.000 0.632 213 G HN 0.118 nan 8.290 nan 0.000 0.529 214 L N 1.848 123.142 121.223 0.118 0.000 2.305 214 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 214 L C 0.386 177.299 176.870 0.071 0.000 1.085 214 L CA -0.428 54.478 54.840 0.110 0.000 0.813 214 L CB 1.420 43.549 42.059 0.117 0.000 1.157 214 L HN 0.065 nan 8.230 nan 0.000 0.436 215 T N 0.787 115.381 114.554 0.066 0.000 2.829 215 T HA 0.307 4.657 4.350 -0.000 0.000 0.282 215 T C 0.231 174.951 174.700 0.033 0.000 0.990 215 T CA -0.390 61.736 62.100 0.043 0.000 1.028 215 T CB 1.283 70.174 68.868 0.039 0.000 0.951 215 T HN 0.520 nan 8.240 nan 0.000 0.460 216 T N 5.370 119.936 114.554 0.019 0.000 3.378 216 T HA 0.249 4.599 4.350 -0.000 0.000 0.359 216 T C -1.752 172.954 174.700 0.011 0.000 1.815 216 T CA -1.237 60.868 62.100 0.009 0.000 1.509 216 T CB 0.806 69.671 68.868 -0.006 0.000 1.049 216 T HN 0.298 nan 8.240 nan 0.000 0.705 217 P HA -0.172 nan 4.420 nan 0.000 0.219 217 P C 0.728 178.038 177.300 0.016 0.000 1.153 217 P CA 1.609 64.718 63.100 0.015 0.000 0.865 217 P CB -0.263 31.446 31.700 0.015 0.000 0.788 218 D N -0.340 120.069 120.400 0.015 0.000 2.422 218 D HA 0.303 4.943 4.640 -0.000 0.000 0.283 218 D C 0.566 176.878 176.300 0.021 0.000 1.428 218 D CA 0.519 54.531 54.000 0.020 0.000 1.117 218 D CB -1.204 39.606 40.800 0.017 0.000 1.120 218 D HN 0.340 nan 8.370 nan 0.000 0.543 219 K N 1.748 122.162 120.400 0.023 0.000 2.349 219 K HA 0.517 4.837 4.320 -0.000 0.000 0.289 219 K C 1.216 177.834 176.600 0.030 0.000 1.064 219 K CA 0.144 56.445 56.287 0.024 0.000 0.947 219 K CB -0.025 32.489 32.500 0.023 0.000 1.007 219 K HN 0.925 nan 8.250 nan 0.000 0.478 220 K N -0.137 120.282 120.400 0.032 0.000 3.583 220 K HA -0.278 4.042 4.320 -0.000 0.000 0.287 220 K C 0.477 177.107 176.600 0.051 0.000 1.269 220 K CA 2.509 58.821 56.287 0.041 0.000 0.998 220 K CB -2.552 29.974 32.500 0.042 0.000 1.284 220 K HN 2.577 nan 8.250 nan 0.000 0.472 221 H N -1.439 117.658 119.070 0.044 0.000 3.030 221 H HA -0.116 4.440 4.556 -0.000 0.000 0.324 221 H C 0.093 175.464 175.328 0.072 0.000 1.323 221 H CA 1.519 57.599 56.048 0.053 0.000 1.207 221 H CB -3.008 26.794 29.762 0.067 0.000 1.442 221 H HN 0.596 nan 8.280 nan 0.000 0.443 222 Q N -0.037 119.798 119.800 0.058 0.000 2.800 222 Q HA 0.466 4.806 4.340 -0.000 0.000 0.261 222 Q C 0.529 176.572 176.000 0.072 0.000 1.093 222 Q CA 0.709 56.548 55.803 0.060 0.000 0.943 222 Q CB -0.419 28.346 28.738 0.045 0.000 1.591 222 Q HN 1.242 nan 8.270 nan 0.000 0.429 223 K N 1.333 121.796 120.400 0.105 0.000 2.123 223 K HA 0.361 4.681 4.320 -0.000 0.000 0.259 223 K C -0.806 175.864 176.600 0.116 0.000 0.960 223 K CA -0.833 55.539 56.287 0.141 0.000 0.872 223 K CB 0.587 33.215 32.500 0.212 0.000 1.079 223 K HN 0.606 nan 8.250 nan 0.000 0.440 224 E N 3.300 123.535 120.200 0.058 0.000 2.081 224 E HA 0.318 4.668 4.350 -0.000 0.000 0.276 224 E C -2.428 173.964 176.600 -0.346 0.000 0.950 224 E CA -1.962 54.389 56.400 -0.082 0.000 0.776 224 E CB 1.206 30.887 29.700 -0.032 0.000 1.094 224 E HN 0.449 nan 8.360 nan 0.000 0.402 225 P HA 0.168 nan 4.420 nan 0.000 0.278 225 P C -2.217 174.850 177.300 -0.388 0.000 1.238 225 P CA -1.568 60.985 63.100 -0.911 0.000 0.794 225 P CB 0.175 31.426 31.700 -0.748 0.000 0.955 226 P HA 0.154 nan 4.420 nan 0.000 0.268 226 P C -0.865 176.249 177.300 -0.310 0.000 1.205 226 P CA 0.188 63.001 63.100 -0.478 0.000 0.771 226 P CB 0.276 31.618 31.700 -0.597 0.000 0.858 227 F N 1.670 121.633 119.950 0.021 0.000 2.385 227 F HA 0.359 4.886 4.527 -0.000 0.000 0.336 227 F C 0.752 176.656 175.800 0.174 0.000 1.100 227 F CA -0.586 57.493 58.000 0.132 0.000 1.116 227 F CB 0.807 39.910 39.000 0.173 0.000 1.166 227 F HN 0.036 nan 8.300 nan 0.000 0.511 228 L N 3.059 124.528 121.223 0.411 0.000 2.316 228 L HA 0.405 4.745 4.340 -0.000 0.000 0.280 228 L C -1.325 175.808 176.870 0.438 0.000 1.006 228 L CA -0.562 54.494 54.840 0.360 0.000 0.836 228 L CB 1.125 43.332 42.059 0.248 0.000 1.221 228 L HN 0.734 nan 8.230 nan 0.000 0.418 229 W N 6.333 127.753 121.300 0.200 0.000 2.998 229 W HA 0.508 5.168 4.660 -0.000 0.000 0.335 229 W C -0.125 176.487 176.519 0.153 0.000 1.110 229 W CA -0.873 56.538 57.345 0.110 0.000 1.230 229 W CB 1.445 30.893 29.460 -0.019 0.000 1.405 229 W HN 0.359 nan 8.180 nan 0.000 0.493 230 M N 5.657 124.990 119.600 -0.444 0.000 2.217 230 M HA -0.202 4.278 4.480 -0.000 0.000 0.187 230 M C 1.134 177.328 176.300 -0.177 0.000 0.642 230 M CA 1.888 56.886 55.300 -0.503 0.000 0.450 230 M CB -2.329 29.638 32.600 -1.055 0.000 1.039 230 M HN 1.466 nan 8.290 nan 0.000 0.916 231 G N -0.783 107.969 108.800 -0.079 0.000 2.168 231 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 231 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 231 G C -0.268 174.729 174.900 0.162 0.000 0.997 231 G CA 0.749 45.834 45.100 -0.024 0.000 0.708 231 G HN 0.660 nan 8.290 nan 0.000 0.520 232 Y N -0.578 119.944 120.300 0.370 0.000 2.528 232 Y HA 0.623 5.173 4.550 -0.000 0.000 0.335 232 Y C 0.495 176.620 175.900 0.375 0.000 1.093 232 Y CA -0.893 57.465 58.100 0.429 0.000 1.134 232 Y CB 1.646 40.376 38.460 0.451 0.000 1.253 232 Y HN 0.118 nan 8.280 nan 0.000 0.478 233 E N 2.913 123.445 120.200 0.552 0.000 2.141 233 E HA 0.438 4.788 4.350 -0.000 0.000 0.259 233 E C -1.965 174.880 176.600 0.409 0.000 0.883 233 E CA -0.453 56.176 56.400 0.382 0.000 0.744 233 E CB 0.566 30.468 29.700 0.336 0.000 1.150 233 E HN 0.567 nan 8.360 nan 0.000 0.420 234 L N 5.318 126.728 121.223 0.312 0.000 2.280 234 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 234 L C 0.263 177.222 176.870 0.149 0.000 1.023 234 L CA -0.689 54.368 54.840 0.362 0.000 0.819 234 L CB 1.068 43.357 42.059 0.384 0.000 1.212 234 L HN 0.515 nan 8.230 nan 0.000 0.420 235 H N 2.801 122.073 119.070 0.336 0.000 2.523 235 H HA 0.288 4.844 4.556 -0.000 0.000 0.345 235 H C -1.678 173.830 175.328 0.299 0.000 1.261 235 H CA -1.801 54.370 56.048 0.204 0.000 1.343 235 H CB 1.285 31.090 29.762 0.072 0.000 1.650 235 H HN 0.304 nan 8.280 nan 0.000 0.591 236 P HA -0.085 nan 4.420 nan 0.000 0.223 236 P C 0.404 177.916 177.300 0.354 0.000 1.151 236 P CA 1.349 64.611 63.100 0.269 0.000 0.787 236 P CB 0.317 32.108 31.700 0.151 0.000 0.788 237 D N -1.969 118.637 120.400 0.343 0.000 2.651 237 D HA 0.079 4.719 4.640 -0.000 0.000 0.280 237 D C 0.002 176.323 176.300 0.036 0.000 1.496 237 D CA -0.146 54.025 54.000 0.285 0.000 0.792 237 D CB 0.043 40.921 40.800 0.131 0.000 1.144 237 D HN 0.209 nan 8.370 nan 0.000 0.470 238 K N -0.861 119.530 120.400 -0.015 0.000 2.625 238 K HA 0.510 4.830 4.320 -0.000 0.000 0.284 238 K C -1.520 175.087 176.600 0.013 0.000 0.984 238 K CA -1.046 55.082 56.287 -0.266 0.000 0.865 238 K CB 1.409 33.735 32.500 -0.289 0.000 1.468 238 K HN 0.069 nan 8.250 nan 0.000 0.407 239 W N 0.364 121.620 121.300 -0.073 0.000 3.062 239 W HA 0.797 5.457 4.660 -0.000 0.000 0.336 239 W C -1.696 174.991 176.519 0.281 0.000 1.224 239 W CA -0.959 56.502 57.345 0.193 0.000 1.159 239 W CB 1.442 30.991 29.460 0.148 0.000 1.454 239 W HN 0.820 nan 8.180 nan 0.000 0.569 240 T N 0.286 115.016 114.554 0.293 0.000 2.733 240 T HA 0.415 4.765 4.350 -0.000 0.000 0.312 240 T C -1.060 173.850 174.700 0.350 0.000 1.590 240 T CA -0.354 61.707 62.100 -0.065 0.000 1.005 240 T CB 1.036 69.776 68.868 -0.213 0.000 1.528 240 T HN 0.775 nan 8.240 nan 0.000 0.496 241 V N 1.398 121.431 119.914 0.198 0.000 2.834 241 V HA 0.558 4.678 4.120 -0.000 0.000 0.301 241 V C 0.623 176.866 176.094 0.248 0.000 1.066 241 V CA -0.722 61.712 62.300 0.224 0.000 1.052 241 V CB 0.598 32.462 31.823 0.068 0.000 1.021 241 V HN 0.927 nan 8.190 nan 0.000 0.480 242 Q N 3.198 123.167 119.800 0.281 0.000 2.421 242 Q HA 0.229 4.569 4.340 -0.000 0.000 0.255 242 Q C -2.081 174.026 176.000 0.177 0.000 1.013 242 Q CA -1.331 54.604 55.803 0.220 0.000 0.895 242 Q CB 0.379 29.231 28.738 0.190 0.000 1.271 242 Q HN 0.687 nan 8.270 nan 0.000 0.460 243 P HA -0.128 nan 4.420 nan 0.000 0.259 243 P C -0.895 176.447 177.300 0.071 0.000 1.155 243 P CA 0.782 63.937 63.100 0.091 0.000 0.759 243 P CB 0.339 32.084 31.700 0.076 0.000 0.753 244 I N 4.941 125.532 120.570 0.034 0.000 2.371 244 I HA 0.083 4.253 4.170 -0.000 0.000 0.282 244 I C 0.565 176.678 176.117 -0.007 0.000 1.031 244 I CA -0.888 60.419 61.300 0.010 0.000 1.180 244 I CB 1.243 39.217 38.000 -0.044 0.000 1.336 244 I HN 0.109 nan 8.210 nan 0.000 0.467 245 V N 5.818 125.739 119.914 0.013 0.000 2.270 245 V HA 0.407 4.527 4.120 -0.000 0.000 0.263 245 V C 0.247 176.360 176.094 0.031 0.000 1.066 245 V CA -0.715 61.596 62.300 0.017 0.000 0.857 245 V CB 0.395 32.231 31.823 0.022 0.000 1.099 245 V HN 0.401 nan 8.190 nan 0.000 0.476 246 L N 6.365 127.606 121.223 0.030 0.000 2.456 246 L HA 0.320 4.660 4.340 -0.000 0.000 0.277 246 L C -1.647 175.293 176.870 0.117 0.000 1.124 246 L CA -1.166 53.715 54.840 0.067 0.000 0.880 246 L CB 0.167 42.246 42.059 0.035 0.000 1.192 246 L HN 0.419 nan 8.230 nan 0.000 0.463 247 P HA 0.006 nan 4.420 nan 0.000 0.270 247 P C -0.715 176.729 177.300 0.239 0.000 1.221 247 P CA -0.004 63.183 63.100 0.145 0.000 0.788 247 P CB 0.471 32.229 31.700 0.096 0.000 0.904 248 E N 1.381 121.639 120.200 0.096 0.000 2.437 248 E HA 0.201 4.551 4.350 -0.000 0.000 0.238 248 E C -0.543 176.028 176.600 -0.048 0.000 0.969 248 E CA -0.466 56.011 56.400 0.129 0.000 0.759 248 E CB 0.911 30.663 29.700 0.085 0.000 1.283 248 E HN 0.327 nan 8.360 nan 0.000 0.416 249 K N 1.193 121.444 120.400 -0.248 0.000 2.211 249 K HA 0.192 4.512 4.320 -0.000 0.000 0.237 249 K C 0.702 177.135 176.600 -0.277 0.000 1.002 249 K CA -0.628 55.344 56.287 -0.525 0.000 0.885 249 K CB 1.190 32.958 32.500 -1.220 0.000 1.136 249 K HN 0.343 nan 8.250 nan 0.000 0.448 250 D N -0.864 119.387 120.400 -0.248 0.000 2.338 250 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 250 D C 0.112 176.376 176.300 -0.059 0.000 0.997 250 D CA 0.257 54.211 54.000 -0.077 0.000 0.880 250 D CB 0.339 41.104 40.800 -0.058 0.000 0.980 250 D HN 0.315 nan 8.370 nan 0.000 0.509 251 S N -0.816 114.749 115.700 -0.225 0.000 2.571 251 S HA 0.558 5.028 4.470 -0.000 0.000 0.284 251 S C -1.679 172.768 174.600 -0.254 0.000 1.128 251 S CA -0.956 57.184 58.200 -0.099 0.000 0.970 251 S CB 0.844 64.012 63.200 -0.054 0.000 1.039 251 S HN 0.173 nan 8.310 nan 0.000 0.485 252 W N 1.419 122.715 121.300 -0.006 0.000 2.475 252 W HA 0.661 5.321 4.660 0.000 0.000 0.317 252 W C 0.672 177.187 176.519 -0.006 0.000 1.046 252 W CA -0.377 56.964 57.345 -0.006 0.000 1.215 252 W CB 1.155 30.611 29.460 -0.007 0.000 1.335 252 W HN 0.994 nan 8.180 nan 0.000 0.471 253 T N 0.602 115.259 114.554 0.172 0.000 2.909 253 T HA 0.340 4.690 4.350 -0.000 0.000 0.286 253 T C 1.101 175.875 174.700 0.123 0.000 1.002 253 T CA -0.609 61.554 62.100 0.106 0.000 1.074 253 T CB 0.893 69.790 68.868 0.049 0.000 0.984 253 T HN 0.367 nan 8.240 nan 0.000 0.495 254 V N 2.613 122.577 119.914 0.083 0.000 2.428 254 V HA -0.245 3.875 4.120 -0.000 0.000 0.255 254 V C 2.677 178.810 176.094 0.066 0.000 1.080 254 V CA 2.207 64.546 62.300 0.066 0.000 1.083 254 V CB -0.487 31.361 31.823 0.041 0.000 0.665 254 V HN 0.999 nan 8.190 nan 0.000 0.461 255 N N -0.057 118.680 118.700 0.063 0.000 2.270 255 N HA -0.151 4.589 4.740 -0.000 0.000 0.181 255 N C 1.373 176.932 175.510 0.081 0.000 1.016 255 N CA 1.380 54.463 53.050 0.054 0.000 0.870 255 N CB -0.031 38.477 38.487 0.035 0.000 0.979 255 N HN 0.516 nan 8.380 nan 0.000 0.431 256 D N 0.644 121.122 120.400 0.129 0.000 2.277 256 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 256 D C 1.837 178.301 176.300 0.274 0.000 0.962 256 D CA 0.227 54.355 54.000 0.214 0.000 0.865 256 D CB 0.292 41.252 40.800 0.266 0.000 0.939 256 D HN 0.346 nan 8.370 nan 0.000 0.510 257 I N 1.124 121.803 120.570 0.182 0.000 2.617 257 I HA -0.117 4.053 4.170 -0.000 0.000 0.256 257 I C 2.248 178.384 176.117 0.031 0.000 1.167 257 I CA 0.706 62.045 61.300 0.065 0.000 1.469 257 I CB -0.775 37.234 38.000 0.015 0.000 1.098 257 I HN 0.024 nan 8.210 nan 0.000 0.436 258 Q N 1.391 121.219 119.800 0.046 0.000 1.941 258 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 258 Q C 2.116 178.133 176.000 0.028 0.000 0.982 258 Q CA 1.311 57.131 55.803 0.027 0.000 0.839 258 Q CB -0.283 28.470 28.738 0.025 0.000 0.904 258 Q HN 0.419 nan 8.270 nan 0.000 0.427 259 K N 0.532 120.956 120.400 0.039 0.000 2.228 259 K HA -0.212 4.108 4.320 -0.000 0.000 0.205 259 K C 2.051 178.675 176.600 0.039 0.000 1.045 259 K CA 1.000 57.306 56.287 0.031 0.000 0.931 259 K CB -0.241 32.283 32.500 0.040 0.000 0.727 259 K HN 0.090 nan 8.250 nan 0.000 0.458 260 L N 0.440 121.695 121.223 0.053 0.000 2.023 260 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 260 L C 2.034 178.903 176.870 -0.003 0.000 1.073 260 L CA 1.386 56.243 54.840 0.028 0.000 0.745 260 L CB -0.294 41.757 42.059 -0.014 0.000 0.900 260 L HN -0.135 nan 8.230 nan 0.000 0.435 261 V N 0.328 120.236 119.914 -0.009 0.000 2.407 261 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 261 V C 2.602 178.710 176.094 0.024 0.000 1.055 261 V CA 1.602 63.899 62.300 -0.005 0.000 1.049 261 V CB -1.603 30.215 31.823 -0.008 0.000 0.662 261 V HN 0.652 nan 8.190 nan 0.000 0.455 262 G N 0.036 108.851 108.800 0.025 0.000 2.514 262 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 262 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 262 G C 1.667 176.610 174.900 0.071 0.000 1.198 262 G CA 0.813 45.934 45.100 0.034 0.000 0.780 262 G HN 0.347 nan 8.290 nan 0.000 0.565 263 K N 0.300 120.733 120.400 0.054 0.000 2.057 263 K HA 0.082 4.402 4.320 -0.000 0.000 0.207 263 K C 2.568 179.236 176.600 0.113 0.000 1.049 263 K CA 0.570 56.913 56.287 0.093 0.000 0.931 263 K CB -0.725 31.804 32.500 0.049 0.000 0.714 263 K HN 0.363 nan 8.250 nan 0.000 0.440 264 L N 1.264 122.518 121.223 0.052 0.000 2.131 264 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 264 L C 1.944 178.850 176.870 0.060 0.000 1.092 264 L CA 0.898 55.752 54.840 0.023 0.000 0.759 264 L CB -0.369 41.683 42.059 -0.012 0.000 0.903 264 L HN 0.200 nan 8.230 nan 0.000 0.435 265 N N -0.668 118.094 118.700 0.104 0.000 2.207 265 N HA -0.210 4.530 4.740 -0.000 0.000 0.182 265 N C 1.569 177.195 175.510 0.194 0.000 1.020 265 N CA 1.084 54.212 53.050 0.130 0.000 0.858 265 N CB -0.307 38.261 38.487 0.136 0.000 0.991 265 N HN 0.473 nan 8.380 nan 0.000 0.427 266 W N 2.133 123.445 121.300 0.020 0.000 2.338 266 W HA -0.161 4.499 4.660 0.000 0.000 0.304 266 W C 1.766 178.324 176.519 0.065 0.000 1.212 266 W CA 1.735 59.093 57.345 0.023 0.000 1.264 266 W CB -0.044 29.398 29.460 -0.030 0.000 1.142 266 W HN 0.031 nan 8.180 nan 0.000 0.512 267 A N 0.438 123.303 122.820 0.075 0.000 2.066 267 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 267 A C 1.945 179.570 177.584 0.069 0.000 1.157 267 A CA 1.799 53.836 52.037 0.000 0.000 0.670 267 A CB -1.115 17.823 19.000 -0.103 0.000 0.804 267 A HN 0.366 nan 8.150 nan 0.000 0.453 268 S N 0.603 116.332 115.700 0.050 0.000 2.507 268 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 268 S C 1.605 176.236 174.600 0.052 0.000 0.988 268 S CA 0.973 59.209 58.200 0.059 0.000 0.944 268 S CB -0.668 62.558 63.200 0.044 0.000 0.762 268 S HN 0.824 nan 8.310 nan 0.000 0.526 269 Q N 0.036 119.867 119.800 0.051 0.000 2.515 269 Q HA 0.366 4.706 4.340 -0.000 0.000 0.214 269 Q C 1.337 177.472 176.000 0.224 0.000 0.971 269 Q CA 0.750 56.630 55.803 0.127 0.000 0.952 269 Q CB -0.362 28.472 28.738 0.160 0.000 0.999 269 Q HN 0.726 nan 8.270 nan 0.000 0.524 270 I N -2.205 118.441 120.570 0.126 0.000 5.143 270 I HA 0.123 4.293 4.170 -0.000 0.000 0.390 270 I C -0.913 175.129 176.117 -0.124 0.000 1.080 270 I CA -0.397 60.901 61.300 -0.002 0.000 1.551 270 I CB 1.115 38.991 38.000 -0.207 0.000 2.242 270 I HN -0.004 nan 8.210 nan 0.000 0.724 271 Y N 4.003 124.260 120.300 -0.072 0.000 2.404 271 Y HA 0.433 4.983 4.550 -0.000 0.000 0.344 271 Y C -2.232 173.639 175.900 -0.048 0.000 0.970 271 Y CA -2.193 55.865 58.100 -0.069 0.000 1.180 271 Y CB 0.402 38.823 38.460 -0.066 0.000 1.138 271 Y HN 0.007 nan 8.280 nan 0.000 0.510 272 P HA 0.143 nan 4.420 nan 0.000 0.269 272 P C 0.877 178.212 177.300 0.057 0.000 1.215 272 P CA 0.948 64.074 63.100 0.043 0.000 0.780 272 P CB 0.941 32.663 31.700 0.037 0.000 0.898 273 G N 1.460 110.280 108.800 0.033 0.000 2.320 273 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 273 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 273 G C 0.401 175.310 174.900 0.014 0.000 1.033 273 G CA -0.201 44.913 45.100 0.024 0.000 0.620 273 G HN 0.546 nan 8.290 nan 0.000 0.517 274 I N 1.757 122.339 120.570 0.021 0.000 3.076 274 I HA -0.013 4.157 4.170 -0.000 0.000 0.321 274 I C 0.627 176.740 176.117 -0.007 0.000 1.216 274 I CA 1.270 62.568 61.300 -0.002 0.000 1.460 274 I CB 0.176 38.173 38.000 -0.004 0.000 1.313 274 I HN 0.234 nan 8.210 nan 0.000 0.546 275 K N 5.526 125.913 120.400 -0.021 0.000 2.270 275 K HA 0.491 4.811 4.320 -0.000 0.000 0.255 275 K C -0.122 176.459 176.600 -0.032 0.000 0.936 275 K CA -0.682 55.590 56.287 -0.025 0.000 0.809 275 K CB 2.713 35.194 32.500 -0.033 0.000 1.131 275 K HN 0.329 nan 8.250 nan 0.000 0.427 276 V N 2.113 122.010 119.914 -0.027 0.000 3.330 276 V HA 0.053 4.173 4.120 -0.000 0.000 0.309 276 V C 1.792 177.864 176.094 -0.037 0.000 1.481 276 V CA -0.102 62.179 62.300 -0.032 0.000 1.068 276 V CB 0.115 31.929 31.823 -0.015 0.000 0.935 276 V HN 0.739 nan 8.190 nan 0.000 0.453 277 R N 0.997 121.475 120.500 -0.037 0.000 2.115 277 R HA -0.272 4.068 4.340 -0.000 0.000 0.239 277 R C 2.147 178.422 176.300 -0.042 0.000 1.133 277 R CA 2.593 58.670 56.100 -0.038 0.000 0.935 277 R CB -0.017 30.260 30.300 -0.039 0.000 0.853 277 R HN 0.463 nan 8.270 nan 0.000 0.433 278 Q N -0.164 119.606 119.800 -0.050 0.000 2.187 278 Q HA 0.058 4.398 4.340 -0.000 0.000 0.199 278 Q C 1.980 177.937 176.000 -0.071 0.000 0.957 278 Q CA 0.935 56.704 55.803 -0.056 0.000 0.857 278 Q CB 0.172 28.875 28.738 -0.058 0.000 0.929 278 Q HN 0.376 nan 8.270 nan 0.000 0.453 279 L N -0.241 120.929 121.223 -0.087 0.000 2.549 279 L HA -0.072 4.268 4.340 -0.000 0.000 0.229 279 L C 1.965 178.787 176.870 -0.080 0.000 1.158 279 L CA 0.580 55.353 54.840 -0.113 0.000 0.842 279 L CB -0.074 41.901 42.059 -0.139 0.000 0.952 279 L HN 0.165 nan 8.230 nan 0.000 0.452 280 S N -0.974 114.692 115.700 -0.056 0.000 2.497 280 S HA 0.020 4.490 4.470 -0.000 0.000 0.221 280 S C 1.861 176.443 174.600 -0.029 0.000 1.037 280 S CA 0.023 58.201 58.200 -0.036 0.000 0.920 280 S CB 0.290 63.474 63.200 -0.027 0.000 0.800 280 S HN 0.254 nan 8.310 nan 0.000 0.505 281 K N 1.411 121.791 120.400 -0.033 0.000 2.009 281 K HA -0.070 4.250 4.320 -0.000 0.000 0.210 281 K C 1.876 178.463 176.600 -0.022 0.000 1.049 281 K CA 1.599 57.870 56.287 -0.025 0.000 0.929 281 K CB -0.573 31.911 32.500 -0.028 0.000 0.714 281 K HN 0.330 nan 8.250 nan 0.000 0.440 282 L N 1.136 122.342 121.223 -0.028 0.000 2.058 282 L HA -0.248 4.092 4.340 -0.000 0.000 0.226 282 L C 1.468 178.332 176.870 -0.010 0.000 1.089 282 L CA 1.225 56.052 54.840 -0.022 0.000 0.799 282 L CB -0.906 41.134 42.059 -0.033 0.000 0.900 282 L HN 0.252 nan 8.230 nan 0.000 0.442 283 L N 1.263 122.480 121.223 -0.009 0.000 2.679 283 L HA -0.011 4.329 4.340 -0.000 0.000 0.241 283 L C 1.522 178.393 176.870 0.001 0.000 1.441 283 L CA -0.054 54.785 54.840 -0.001 0.000 1.181 283 L CB -0.833 41.227 42.059 0.001 0.000 1.451 283 L HN 0.275 nan 8.230 nan 0.000 0.446 284 R N 1.136 121.637 120.500 0.001 0.000 2.694 284 R HA 0.443 4.783 4.340 -0.000 0.000 0.334 284 R C 0.601 176.903 176.300 0.004 0.000 1.143 284 R CA 0.316 56.417 56.100 0.001 0.000 1.073 284 R CB 0.027 30.326 30.300 -0.001 0.000 1.366 284 R HN 0.470 nan 8.270 nan 0.000 0.577 285 G N -1.285 107.519 108.800 0.007 0.000 2.425 285 G HA2 0.370 4.330 3.960 -0.000 0.000 0.302 285 G HA3 0.370 4.330 3.960 -0.000 0.000 0.302 285 G C 0.698 175.603 174.900 0.009 0.000 1.159 285 G CA 0.293 45.398 45.100 0.008 0.000 0.865 285 G HN 0.184 nan 8.290 nan 0.000 0.515 286 T N 0.373 114.932 114.554 0.008 0.000 2.901 286 T HA 0.284 4.634 4.350 -0.000 0.000 0.252 286 T C 1.371 176.077 174.700 0.009 0.000 1.035 286 T CA 1.747 63.852 62.100 0.008 0.000 1.142 286 T CB -0.050 68.822 68.868 0.007 0.000 0.869 286 T HN 0.790 nan 8.240 nan 0.000 0.442 287 K N 0.795 121.201 120.400 0.009 0.000 2.675 287 K HA 0.822 5.142 4.320 -0.000 0.000 0.224 287 K C -0.813 175.793 176.600 0.011 0.000 1.003 287 K CA -0.285 56.008 56.287 0.009 0.000 1.034 287 K CB 1.006 33.511 32.500 0.008 0.000 1.218 287 K HN 0.484 nan 8.250 nan 0.000 0.507 288 A N 1.035 123.862 122.820 0.012 0.000 2.589 288 A HA 0.842 5.162 4.320 -0.000 0.000 0.296 288 A C -0.428 177.166 177.584 0.016 0.000 1.062 288 A CA 0.004 52.050 52.037 0.014 0.000 0.686 288 A CB 1.370 20.380 19.000 0.017 0.000 1.282 288 A HN 1.503 nan 8.150 nan 0.000 0.404 289 L N 0.535 121.768 121.223 0.017 0.000 2.877 289 L HA 0.316 4.656 4.340 -0.000 0.000 0.275 289 L C 1.195 178.078 176.870 0.022 0.000 1.027 289 L CA 1.841 56.692 54.840 0.018 0.000 1.135 289 L CB 0.426 42.494 42.059 0.014 0.000 2.080 289 L HN 0.626 nan 8.230 nan 0.000 0.560 290 T N -0.296 114.269 114.554 0.019 0.000 2.985 290 T HA 0.119 4.469 4.350 -0.000 0.000 0.254 290 T C 0.407 175.121 174.700 0.023 0.000 1.021 290 T CA -0.063 62.048 62.100 0.019 0.000 0.957 290 T CB 0.110 68.984 68.868 0.010 0.000 1.047 290 T HN 0.343 nan 8.240 nan 0.000 0.511 291 E N 2.292 122.506 120.200 0.023 0.000 3.025 291 E HA -0.018 4.332 4.350 -0.000 0.000 0.248 291 E C 0.311 176.932 176.600 0.036 0.000 0.938 291 E CA -0.262 56.153 56.400 0.025 0.000 0.958 291 E CB 0.179 29.893 29.700 0.023 0.000 0.898 291 E HN 0.354 nan 8.360 nan 0.000 0.537 292 V N 5.008 124.942 119.914 0.035 0.000 1.983 292 V HA 0.179 4.299 4.120 -0.000 0.000 0.237 292 V C 1.048 177.177 176.094 0.059 0.000 1.601 292 V CA 1.132 63.461 62.300 0.049 0.000 1.566 292 V CB -1.052 30.794 31.823 0.038 0.000 1.557 292 V HN 0.718 nan 8.190 nan 0.000 0.500 293 I N 3.587 124.195 120.570 0.063 0.000 2.907 293 I HA 0.395 4.565 4.170 -0.000 0.000 0.285 293 I C -1.406 174.752 176.117 0.070 0.000 1.189 293 I CA -1.446 59.886 61.300 0.053 0.000 1.376 293 I CB -0.870 37.158 38.000 0.046 0.000 1.420 293 I HN 0.592 nan 8.210 nan 0.000 0.544 294 P HA 0.358 nan 4.420 nan 0.000 0.271 294 P C -0.226 177.096 177.300 0.037 0.000 1.233 294 P CA -0.337 62.798 63.100 0.059 0.000 0.764 294 P CB 0.829 32.553 31.700 0.040 0.000 0.825 295 L N 4.523 125.773 121.223 0.046 0.000 2.540 295 L HA 0.082 4.422 4.340 -0.000 0.000 0.276 295 L C 1.158 178.018 176.870 -0.018 0.000 1.212 295 L CA 0.898 55.723 54.840 -0.025 0.000 0.893 295 L CB -0.221 41.802 42.059 -0.060 0.000 1.138 295 L HN 0.497 nan 8.230 nan 0.000 0.491 296 T N 0.689 115.221 114.554 -0.038 0.000 2.900 296 T HA 0.215 4.565 4.350 -0.000 0.000 0.326 296 T C 0.824 175.506 174.700 -0.029 0.000 1.145 296 T CA 0.076 62.160 62.100 -0.026 0.000 0.963 296 T CB 0.314 69.164 68.868 -0.030 0.000 1.512 296 T HN 0.695 nan 8.240 nan 0.000 0.552 297 E N -0.224 119.962 120.200 -0.024 0.000 2.307 297 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 297 E C 2.083 178.665 176.600 -0.031 0.000 0.975 297 E CA 0.326 56.712 56.400 -0.023 0.000 0.878 297 E CB 0.178 29.869 29.700 -0.015 0.000 0.845 297 E HN 0.647 nan 8.360 nan 0.000 0.488 298 E N 0.914 121.093 120.200 -0.035 0.000 2.122 298 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 298 E C 1.724 178.292 176.600 -0.053 0.000 0.977 298 E CA 0.838 57.215 56.400 -0.039 0.000 0.820 298 E CB -0.020 29.659 29.700 -0.035 0.000 0.770 298 E HN 0.164 nan 8.360 nan 0.000 0.462 299 A N 0.803 123.585 122.820 -0.064 0.000 2.168 299 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 299 A C 1.982 179.498 177.584 -0.114 0.000 1.152 299 A CA 1.198 53.179 52.037 -0.093 0.000 0.716 299 A CB -0.310 18.628 19.000 -0.104 0.000 0.794 299 A HN 0.235 nan 8.150 nan 0.000 0.465 300 E N -0.254 119.895 120.200 -0.085 0.000 2.190 300 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 300 E C 1.660 178.223 176.600 -0.062 0.000 0.978 300 E CA 0.261 56.615 56.400 -0.077 0.000 0.839 300 E CB -0.066 29.607 29.700 -0.044 0.000 0.787 300 E HN 0.617 nan 8.360 nan 0.000 0.473 301 L N 0.705 121.897 121.223 -0.051 0.000 2.240 301 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 301 L C 2.491 179.330 176.870 -0.050 0.000 1.106 301 L CA 0.810 55.625 54.840 -0.042 0.000 0.793 301 L CB -0.200 41.839 42.059 -0.035 0.000 0.927 301 L HN 0.213 nan 8.230 nan 0.000 0.446 302 E N 0.531 120.692 120.200 -0.064 0.000 2.028 302 E HA -0.245 4.105 4.350 -0.000 0.000 0.190 302 E C 2.153 178.705 176.600 -0.081 0.000 0.984 302 E CA 0.884 57.243 56.400 -0.069 0.000 0.800 302 E CB 0.031 29.685 29.700 -0.077 0.000 0.758 302 E HN 0.205 nan 8.360 nan 0.000 0.448 303 L N 0.803 121.960 121.223 -0.110 0.000 2.127 303 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 303 L C 2.083 178.906 176.870 -0.079 0.000 1.089 303 L CA 2.100 56.864 54.840 -0.126 0.000 0.757 303 L CB -0.681 41.257 42.059 -0.201 0.000 0.899 303 L HN 0.188 nan 8.230 nan 0.000 0.434 304 A N -1.083 121.702 122.820 -0.059 0.000 1.872 304 A HA -0.219 4.101 4.320 -0.000 0.000 0.214 304 A C 2.303 179.866 177.584 -0.034 0.000 1.187 304 A CA 1.496 53.513 52.037 -0.034 0.000 0.614 304 A CB -0.675 18.310 19.000 -0.025 0.000 0.826 304 A HN 0.519 nan 8.150 nan 0.000 0.442 305 E N -0.038 120.140 120.200 -0.037 0.000 2.160 305 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 305 E C 1.486 178.065 176.600 -0.036 0.000 0.991 305 E CA 1.284 57.664 56.400 -0.032 0.000 0.810 305 E CB -0.062 29.619 29.700 -0.032 0.000 0.742 305 E HN 0.568 nan 8.360 nan 0.000 0.466 306 N N 0.094 118.765 118.700 -0.049 0.000 2.409 306 N HA -0.102 4.638 4.740 -0.000 0.000 0.179 306 N C 1.603 177.071 175.510 -0.070 0.000 1.032 306 N CA 0.501 53.515 53.050 -0.061 0.000 0.898 306 N CB -0.128 38.316 38.487 -0.073 0.000 0.971 306 N HN 0.131 nan 8.380 nan 0.000 0.441 307 R N 0.898 121.366 120.500 -0.053 0.000 2.115 307 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 307 R C 1.570 177.849 176.300 -0.035 0.000 1.100 307 R CA 0.914 56.987 56.100 -0.044 0.000 0.980 307 R CB 0.192 30.479 30.300 -0.023 0.000 0.875 307 R HN -0.007 nan 8.270 nan 0.000 0.445 308 E N 0.637 120.820 120.200 -0.027 0.000 2.107 308 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 308 E C 1.702 178.297 176.600 -0.008 0.000 0.982 308 E CA 1.135 57.526 56.400 -0.015 0.000 0.809 308 E CB -0.030 29.662 29.700 -0.013 0.000 0.756 308 E HN 0.348 nan 8.360 nan 0.000 0.459 309 I N -0.235 120.327 120.570 -0.013 0.000 2.353 309 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 309 I C 1.450 177.580 176.117 0.023 0.000 1.119 309 I CA 0.287 61.599 61.300 0.018 0.000 1.417 309 I CB -0.037 37.976 38.000 0.021 0.000 1.078 309 I HN 0.130 nan 8.210 nan 0.000 0.421 310 L N 0.969 122.138 121.223 -0.091 0.000 2.551 310 L HA -0.107 4.233 4.340 -0.000 0.000 0.228 310 L C 2.147 178.995 176.870 -0.037 0.000 1.153 310 L CA 1.298 56.022 54.840 -0.193 0.000 0.851 310 L CB -1.165 40.746 42.059 -0.246 0.000 0.959 310 L HN 0.127 nan 8.230 nan 0.000 0.451 311 K N 1.357 121.758 120.400 0.002 0.000 1.988 311 K HA -0.178 4.142 4.320 -0.000 0.000 0.221 311 K C 0.281 176.903 176.600 0.038 0.000 1.053 311 K CA 1.598 57.894 56.287 0.016 0.000 0.959 311 K CB -0.129 32.378 32.500 0.012 0.000 0.728 311 K HN 0.366 nan 8.250 nan 0.000 0.447 312 E N 2.180 122.415 120.200 0.059 0.000 2.109 312 E HA 0.235 4.585 4.350 -0.000 0.000 0.278 312 E C -2.325 174.328 176.600 0.088 0.000 0.954 312 E CA -2.363 54.066 56.400 0.049 0.000 0.779 312 E CB 1.137 30.847 29.700 0.016 0.000 1.093 312 E HN 0.338 nan 8.360 nan 0.000 0.401 313 P HA -0.059 nan 4.420 nan 0.000 0.266 313 P C -0.561 176.594 177.300 -0.242 0.000 1.193 313 P CA 0.069 63.177 63.100 0.012 0.000 0.770 313 P CB 0.767 32.441 31.700 -0.043 0.000 0.836 314 V N 2.878 122.422 119.914 -0.617 0.000 2.914 314 V HA 0.414 4.534 4.120 -0.000 0.000 0.314 314 V C 0.096 175.672 176.094 -0.864 0.000 1.084 314 V CA -0.632 61.239 62.300 -0.715 0.000 0.963 314 V CB 1.944 33.236 31.823 -0.885 0.000 1.025 314 V HN 0.666 nan 8.190 nan 0.000 0.432 315 H N 0.848 119.653 119.070 -0.442 0.000 2.797 315 H HA 0.742 5.298 4.556 -0.000 0.000 0.372 315 H C -0.040 174.960 175.328 -0.547 0.000 1.168 315 H CA -0.196 55.552 56.048 -0.501 0.000 1.163 315 H CB 2.530 32.077 29.762 -0.359 0.000 1.778 315 H HN 0.893 nan 8.280 nan 0.000 0.551 316 G N 0.453 108.844 108.800 -0.683 0.000 2.533 316 G HA2 0.516 4.476 3.960 -0.000 0.000 0.304 316 G HA3 0.516 4.476 3.960 -0.000 0.000 0.304 316 G C -0.265 174.421 174.900 -0.356 0.000 1.263 316 G CA -0.533 44.261 45.100 -0.510 0.000 0.964 316 G HN 0.486 nan 8.290 nan 0.000 0.479 317 V N -1.067 118.832 119.914 -0.025 0.000 3.211 317 V HA 0.715 4.835 4.120 -0.000 0.000 0.319 317 V C -0.161 176.022 176.094 0.147 0.000 1.096 317 V CA -1.250 61.029 62.300 -0.035 0.000 1.029 317 V CB 0.817 32.648 31.823 0.014 0.000 1.137 317 V HN 0.667 nan 8.190 nan 0.000 0.453 318 Y N -0.312 120.178 120.300 0.316 0.000 2.356 318 Y HA 0.466 5.016 4.550 -0.000 0.000 0.341 318 Y C -0.195 175.875 175.900 0.283 0.000 1.343 318 Y CA -0.318 57.955 58.100 0.288 0.000 1.570 318 Y CB 0.712 39.292 38.460 0.200 0.000 1.558 318 Y HN 0.745 nan 8.280 nan 0.000 0.557 319 Y N 1.284 121.780 120.300 0.326 0.000 2.342 319 Y HA 0.285 4.835 4.550 -0.000 0.000 0.334 319 Y C -1.049 174.918 175.900 0.110 0.000 1.067 319 Y CA -1.442 56.768 58.100 0.184 0.000 1.128 319 Y CB 1.218 39.827 38.460 0.248 0.000 1.200 319 Y HN 0.509 nan 8.280 nan 0.000 0.464 320 D N 7.241 127.325 120.400 -0.526 0.000 2.505 320 D HA 0.394 5.034 4.640 -0.000 0.000 0.250 320 D C -2.350 173.400 176.300 -0.917 0.000 1.164 320 D CA -2.539 51.144 54.000 -0.528 0.000 0.870 320 D CB 2.172 42.834 40.800 -0.230 0.000 1.160 320 D HN 0.265 nan 8.370 nan 0.000 0.549 321 P HA -0.120 nan 4.420 nan 0.000 0.221 321 P C 0.972 178.118 177.300 -0.256 0.000 1.145 321 P CA 0.882 63.682 63.100 -0.500 0.000 0.795 321 P CB 0.167 31.764 31.700 -0.172 0.000 0.775 322 S N -2.563 113.004 115.700 -0.222 0.000 2.522 322 S HA 0.062 4.532 4.470 -0.000 0.000 0.227 322 S C 0.913 175.438 174.600 -0.125 0.000 0.986 322 S CA 0.405 58.526 58.200 -0.132 0.000 0.929 322 S CB -0.426 62.715 63.200 -0.100 0.000 0.769 322 S HN 0.119 nan 8.310 nan 0.000 0.529 323 K N 0.889 121.187 120.400 -0.169 0.000 2.416 323 K HA 0.425 4.745 4.320 -0.000 0.000 0.244 323 K C -0.652 175.879 176.600 -0.116 0.000 1.044 323 K CA -0.826 55.384 56.287 -0.127 0.000 0.972 323 K CB 0.407 32.833 32.500 -0.124 0.000 1.286 323 K HN 0.085 nan 8.250 nan 0.000 0.500 324 D N 0.553 120.895 120.400 -0.097 0.000 2.332 324 D HA 0.307 4.947 4.640 -0.000 0.000 0.252 324 D C -0.567 175.644 176.300 -0.149 0.000 1.050 324 D CA -0.306 53.632 54.000 -0.103 0.000 0.970 324 D CB 1.217 41.959 40.800 -0.098 0.000 1.141 324 D HN 0.133 nan 8.370 nan 0.000 0.485 325 L N 1.526 122.627 121.223 -0.203 0.000 2.325 325 L HA 0.544 4.883 4.340 -0.000 0.000 0.278 325 L C -0.467 176.163 176.870 -0.401 0.000 1.023 325 L CA -0.591 54.037 54.840 -0.354 0.000 0.811 325 L CB 1.362 43.165 42.059 -0.426 0.000 1.249 325 L HN 0.202 nan 8.230 nan 0.000 0.431 326 I N 2.246 122.483 120.570 -0.555 0.000 2.722 326 I HA 0.662 4.832 4.170 -0.000 0.000 0.295 326 I C -0.727 174.912 176.117 -0.797 0.000 1.161 326 I CA -0.429 60.478 61.300 -0.654 0.000 1.032 326 I CB 2.306 39.880 38.000 -0.709 0.000 1.244 326 I HN 0.583 nan 8.210 nan 0.000 0.421 327 A N 4.394 126.813 122.820 -0.667 0.000 2.398 327 A HA 0.771 5.091 4.320 -0.000 0.000 0.301 327 A C -1.121 176.322 177.584 -0.236 0.000 1.041 327 A CA -0.489 51.265 52.037 -0.472 0.000 0.711 327 A CB 1.578 20.280 19.000 -0.496 0.000 1.240 327 A HN 0.713 nan 8.150 nan 0.000 0.420 328 E N 1.249 121.422 120.200 -0.045 0.000 2.212 328 E HA 0.689 5.039 4.350 -0.000 0.000 0.268 328 E C -1.291 175.439 176.600 0.217 0.000 0.902 328 E CA -0.519 55.945 56.400 0.107 0.000 0.779 328 E CB 2.005 31.802 29.700 0.161 0.000 1.172 328 E HN 0.624 nan 8.360 nan 0.000 0.409 329 I N 3.001 123.714 120.570 0.238 0.000 2.582 329 I HA 0.262 4.433 4.170 -0.000 0.000 0.292 329 I C -0.638 175.656 176.117 0.295 0.000 1.066 329 I CA -0.882 60.605 61.300 0.313 0.000 1.053 329 I CB 1.796 39.972 38.000 0.293 0.000 1.241 329 I HN 0.362 nan 8.210 nan 0.000 0.421 330 Q N 4.773 124.754 119.800 0.301 0.000 2.421 330 Q HA 0.449 4.789 4.340 -0.000 0.000 0.280 330 Q C -1.289 174.790 176.000 0.132 0.000 1.085 330 Q CA -1.109 54.821 55.803 0.212 0.000 0.807 330 Q CB 2.773 31.587 28.738 0.127 0.000 1.405 330 Q HN 0.542 nan 8.270 nan 0.000 0.419 331 K N 1.162 121.507 120.400 -0.091 0.000 2.297 331 K HA 0.056 4.376 4.320 -0.000 0.000 0.286 331 K C 0.451 176.841 176.600 -0.351 0.000 1.053 331 K CA 0.204 56.124 56.287 -0.612 0.000 0.940 331 K CB 1.070 33.127 32.500 -0.738 0.000 1.019 331 K HN 0.772 nan 8.250 nan 0.000 0.475 332 Q N 2.649 122.218 119.800 -0.385 0.000 2.063 332 Q HA 0.130 4.470 4.340 -0.000 0.000 0.194 332 Q C 0.600 176.484 176.000 -0.193 0.000 0.974 332 Q CA 1.236 56.919 55.803 -0.200 0.000 0.827 332 Q CB 0.328 28.986 28.738 -0.133 0.000 0.902 332 Q HN 0.855 nan 8.270 nan 0.000 0.462 333 G N -0.831 107.828 108.800 -0.235 0.000 3.310 333 G HA2 0.282 4.242 3.960 -0.000 0.000 0.174 333 G HA3 0.282 4.242 3.960 -0.000 0.000 0.174 333 G C -1.249 173.536 174.900 -0.191 0.000 1.097 333 G CA -0.470 44.533 45.100 -0.163 0.000 0.795 333 G HN 0.080 nan 8.290 nan 0.000 0.670 334 Q N 0.667 120.399 119.800 -0.113 0.000 2.368 334 Q HA 0.499 4.839 4.340 -0.000 0.000 0.256 334 Q C 0.653 176.628 176.000 -0.042 0.000 0.980 334 Q CA 0.223 55.984 55.803 -0.069 0.000 0.887 334 Q CB 0.851 29.577 28.738 -0.020 0.000 1.221 334 Q HN 1.474 nan 8.270 nan 0.000 0.458 335 G N 2.965 111.762 108.800 -0.005 0.000 2.195 335 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 335 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 335 G C 0.038 174.985 174.900 0.079 0.000 0.984 335 G CA -0.116 45.041 45.100 0.094 0.000 0.633 335 G HN 0.500 nan 8.290 nan 0.000 0.525 336 Q N -0.977 118.757 119.800 -0.111 0.000 2.312 336 Q HA 0.649 4.989 4.340 -0.000 0.000 0.263 336 Q C -1.067 174.725 176.000 -0.348 0.000 0.995 336 Q CA -0.691 55.057 55.803 -0.091 0.000 0.853 336 Q CB 1.497 30.184 28.738 -0.085 0.000 1.300 336 Q HN 0.344 nan 8.270 nan 0.000 0.448 337 W N 0.737 122.104 121.300 0.112 0.000 3.022 337 W HA 0.460 5.120 4.660 -0.000 0.000 0.335 337 W C -0.462 176.174 176.519 0.195 0.000 1.133 337 W CA -0.472 56.977 57.345 0.174 0.000 1.219 337 W CB 1.914 31.532 29.460 0.264 0.000 1.409 337 W HN 0.543 nan 8.180 nan 0.000 0.507 338 T N -0.511 114.245 114.554 0.337 0.000 2.930 338 T HA 0.879 5.229 4.350 -0.000 0.000 0.290 338 T C -1.244 173.650 174.700 0.323 0.000 1.052 338 T CA -0.857 61.374 62.100 0.218 0.000 1.017 338 T CB 2.188 71.106 68.868 0.083 0.000 1.137 338 T HN 0.564 nan 8.240 nan 0.000 0.511 339 Y N -1.425 118.982 120.300 0.178 0.000 2.641 339 Y HA 0.676 5.226 4.550 -0.000 0.000 0.333 339 Y C -1.592 174.384 175.900 0.127 0.000 1.174 339 Y CA -1.342 56.850 58.100 0.154 0.000 1.057 339 Y CB 1.362 39.914 38.460 0.155 0.000 1.322 339 Y HN 0.810 nan 8.280 nan 0.000 0.457 340 Q N 3.129 123.079 119.800 0.251 0.000 2.389 340 Q HA 0.644 4.984 4.340 -0.000 0.000 0.277 340 Q C -1.626 174.458 176.000 0.140 0.000 1.082 340 Q CA -0.859 55.055 55.803 0.184 0.000 0.810 340 Q CB 3.253 32.097 28.738 0.178 0.000 1.374 340 Q HN 0.908 nan 8.270 nan 0.000 0.422 341 I N 2.912 123.545 120.570 0.104 0.000 2.406 341 I HA 0.542 4.712 4.170 -0.000 0.000 0.290 341 I C -1.114 174.925 176.117 -0.129 0.000 0.999 341 I CA -1.020 60.198 61.300 -0.137 0.000 1.124 341 I CB 1.076 39.054 38.000 -0.037 0.000 1.289 341 I HN 0.687 nan 8.210 nan 0.000 0.441 342 Y N 3.010 123.211 120.300 -0.164 0.000 2.670 342 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 342 Y C -0.234 175.556 175.900 -0.183 0.000 1.185 342 Y CA -1.069 56.940 58.100 -0.153 0.000 1.053 342 Y CB 1.023 39.399 38.460 -0.140 0.000 1.298 342 Y HN 0.440 nan 8.280 nan 0.000 0.459 343 Q N 0.071 119.948 119.800 0.127 0.000 2.353 343 Q HA 0.326 4.666 4.340 -0.000 0.000 0.240 343 Q C -0.763 175.295 176.000 0.097 0.000 0.868 343 Q CA 0.333 56.159 55.803 0.038 0.000 0.944 343 Q CB 1.455 30.175 28.738 -0.029 0.000 1.104 343 Q HN 0.785 nan 8.270 nan 0.000 0.531 344 E N -0.494 119.767 120.200 0.102 0.000 2.367 344 E HA 0.173 4.523 4.350 -0.000 0.000 0.273 344 E C -2.253 174.200 176.600 -0.245 0.000 0.903 344 E CA -2.019 54.361 56.400 -0.033 0.000 0.764 344 E CB 1.980 31.660 29.700 -0.034 0.000 1.252 344 E HN -0.273 nan 8.360 nan 0.000 0.446 345 P HA -0.211 nan 4.420 nan 0.000 0.233 345 P C -0.346 176.555 177.300 -0.666 0.000 1.146 345 P CA 1.715 64.557 63.100 -0.430 0.000 0.931 345 P CB 0.076 31.702 31.700 -0.124 0.000 0.777 346 F N -2.296 117.510 119.950 -0.241 0.000 3.015 346 F HA 0.284 4.811 4.527 -0.000 0.000 0.415 346 F C -0.332 175.387 175.800 -0.136 0.000 1.185 346 F CA -0.410 57.467 58.000 -0.204 0.000 1.188 346 F CB 0.812 39.715 39.000 -0.161 0.000 2.558 346 F HN -0.389 nan 8.300 nan 0.000 0.587 347 K N 1.572 121.966 120.400 -0.010 0.000 2.767 347 K HA 0.210 4.530 4.320 -0.000 0.000 0.286 347 K C -0.899 175.714 176.600 0.021 0.000 1.177 347 K CA -0.616 55.673 56.287 0.003 0.000 1.078 347 K CB 1.052 33.550 32.500 -0.004 0.000 1.358 347 K HN 0.069 nan 8.250 nan 0.000 0.531 348 N N 2.092 120.814 118.700 0.036 0.000 2.479 348 N HA 0.099 4.839 4.740 -0.000 0.000 0.257 348 N C 1.065 176.674 175.510 0.166 0.000 1.232 348 N CA 0.107 53.225 53.050 0.112 0.000 0.920 348 N CB 0.923 39.469 38.487 0.097 0.000 1.105 348 N HN 0.424 nan 8.380 nan 0.000 0.444 349 L N 0.611 121.976 121.223 0.238 0.000 2.127 349 L HA 0.107 4.447 4.340 -0.000 0.000 0.203 349 L C 1.025 178.226 176.870 0.552 0.000 1.080 349 L CA 0.970 56.031 54.840 0.368 0.000 0.768 349 L CB 0.069 42.284 42.059 0.260 0.000 0.924 349 L HN 0.558 nan 8.230 nan 0.000 0.444 350 K N -1.366 119.285 120.400 0.418 0.000 2.625 350 K HA 0.517 4.837 4.320 -0.000 0.000 0.284 350 K C -1.193 175.557 176.600 0.249 0.000 0.984 350 K CA 0.040 56.597 56.287 0.450 0.000 0.865 350 K CB 1.441 34.174 32.500 0.388 0.000 1.468 350 K HN -0.091 nan 8.250 nan 0.000 0.407 351 T N -0.387 114.265 114.554 0.163 0.000 2.883 351 T HA 0.861 5.211 4.350 -0.000 0.000 0.284 351 T C 0.115 174.685 174.700 -0.217 0.000 1.041 351 T CA -0.561 61.519 62.100 -0.034 0.000 1.007 351 T CB 1.667 70.521 68.868 -0.024 0.000 1.220 351 T HN 0.775 nan 8.240 nan 0.000 0.552 352 G N 0.074 108.510 108.800 -0.607 0.000 2.368 352 G HA2 0.578 4.538 3.960 -0.000 0.000 0.293 352 G HA3 0.578 4.538 3.960 -0.000 0.000 0.293 352 G C -1.516 172.953 174.900 -0.718 0.000 1.467 352 G CA -0.276 44.402 45.100 -0.704 0.000 0.804 352 G HN 0.933 nan 8.290 nan 0.000 0.535 353 K N -1.492 118.856 120.400 -0.087 0.000 2.378 353 K HA 0.856 5.176 4.320 -0.000 0.000 0.244 353 K C -1.860 175.024 176.600 0.473 0.000 1.039 353 K CA -1.234 55.174 56.287 0.202 0.000 0.863 353 K CB 2.879 35.450 32.500 0.119 0.000 1.326 353 K HN 0.874 nan 8.250 nan 0.000 0.460 354 Y N -0.147 120.347 120.300 0.323 0.000 2.348 354 Y HA 0.536 5.086 4.550 -0.000 0.000 0.321 354 Y C -2.153 173.921 175.900 0.289 0.000 1.163 354 Y CA -0.424 57.841 58.100 0.275 0.000 1.070 354 Y CB 1.773 40.376 38.460 0.239 0.000 1.250 354 Y HN 0.977 nan 8.280 nan 0.000 0.425 355 A N 4.178 126.627 122.820 -0.617 0.000 2.380 355 A HA 1.063 5.383 4.320 -0.000 0.000 0.315 355 A C -1.105 176.096 177.584 -0.638 0.000 1.101 355 A CA -0.470 51.316 52.037 -0.419 0.000 0.771 355 A CB 1.240 20.146 19.000 -0.156 0.000 1.287 355 A HN 1.322 nan 8.150 nan 0.000 0.436 356 R N 1.088 121.419 120.500 -0.282 0.000 2.435 356 R HA 0.699 5.039 4.340 -0.000 0.000 0.308 356 R C -0.601 175.677 176.300 -0.037 0.000 0.975 356 R CA -0.191 55.818 56.100 -0.151 0.000 0.867 356 R CB 0.404 30.706 30.300 0.003 0.000 1.171 356 R HN 0.828 nan 8.270 nan 0.000 0.470 357 M N 1.539 121.121 119.600 -0.029 0.000 2.475 357 M HA 0.252 4.732 4.480 -0.000 0.000 0.283 357 M C 0.261 176.567 176.300 0.011 0.000 1.165 357 M CA 0.000 55.295 55.300 -0.009 0.000 0.976 357 M CB 0.486 33.078 32.600 -0.014 0.000 1.428 357 M HN 0.553 nan 8.290 nan 0.000 0.495 358 R N 1.724 122.244 120.500 0.033 0.000 2.723 358 R HA 0.107 4.447 4.340 -0.000 0.000 0.358 358 R C 1.199 177.524 176.300 0.041 0.000 0.966 358 R CA 0.611 56.743 56.100 0.054 0.000 1.022 358 R CB -1.094 29.258 30.300 0.086 0.000 0.945 358 R HN 0.563 nan 8.270 nan 0.000 0.420 359 G N 2.371 111.187 108.800 0.027 0.000 2.652 359 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.318 359 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.318 359 G C 0.579 175.451 174.900 -0.046 0.000 1.295 359 G CA 0.494 45.596 45.100 0.003 0.000 0.999 359 G HN 0.632 nan 8.290 nan 0.000 0.548 360 A N -2.665 120.076 122.820 -0.131 0.000 1.977 360 A HA 0.437 4.757 4.320 -0.000 0.000 0.197 360 A C 0.808 178.260 177.584 -0.221 0.000 1.554 360 A CA 0.812 52.718 52.037 -0.218 0.000 1.037 360 A CB 0.289 19.078 19.000 -0.352 0.000 1.083 360 A HN 0.782 nan 8.150 nan 0.000 0.471 361 H N 1.034 120.157 119.070 0.089 0.000 2.820 361 H HA 0.532 5.088 4.556 0.000 0.000 0.278 361 H C -0.839 174.552 175.328 0.105 0.000 1.142 361 H CA 0.426 56.530 56.048 0.092 0.000 1.346 361 H CB 0.382 30.195 29.762 0.084 0.000 1.438 361 H HN 0.125 nan 8.280 nan 0.000 0.473 362 T N 2.804 117.479 114.554 0.202 0.000 2.896 362 T HA 0.143 4.493 4.350 -0.000 0.000 0.297 362 T C 0.061 174.834 174.700 0.121 0.000 1.108 362 T CA -0.923 61.267 62.100 0.152 0.000 1.004 362 T CB 2.273 71.212 68.868 0.118 0.000 1.159 362 T HN 0.540 nan 8.240 nan 0.000 0.499 363 N N 1.369 120.100 118.700 0.051 0.000 2.479 363 N HA 0.111 4.851 4.740 -0.000 0.000 0.285 363 N C 0.473 175.922 175.510 -0.102 0.000 1.075 363 N CA -0.226 52.810 53.050 -0.024 0.000 0.967 363 N CB 1.641 40.080 38.487 -0.081 0.000 1.137 363 N HN 0.520 nan 8.380 nan 0.000 0.472 364 D N 2.662 123.049 120.400 -0.021 0.000 2.170 364 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 364 D C 1.718 177.899 176.300 -0.199 0.000 1.004 364 D CA 1.295 55.331 54.000 0.060 0.000 0.860 364 D CB 0.274 41.138 40.800 0.107 0.000 0.931 364 D HN 0.397 nan 8.370 nan 0.000 0.448 365 V N 0.165 119.781 119.914 -0.495 0.000 2.323 365 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 365 V C 2.311 177.781 176.094 -1.040 0.000 1.041 365 V CA 1.604 63.390 62.300 -0.856 0.000 1.025 365 V CB -0.491 30.493 31.823 -1.399 0.000 0.656 365 V HN 0.109 nan 8.190 nan 0.000 0.451 366 K N 0.590 120.360 120.400 -1.049 0.000 2.113 366 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 366 K C 2.149 178.468 176.600 -0.468 0.000 1.047 366 K CA 1.801 57.645 56.287 -0.738 0.000 0.928 366 K CB -0.410 31.877 32.500 -0.355 0.000 0.716 366 K HN 0.520 nan 8.250 nan 0.000 0.446 367 Q N -0.561 119.007 119.800 -0.386 0.000 2.119 367 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 367 Q C 1.970 177.507 176.000 -0.771 0.000 0.972 367 Q CA 1.278 56.865 55.803 -0.359 0.000 0.847 367 Q CB -0.150 28.509 28.738 -0.132 0.000 0.903 367 Q HN 0.282 nan 8.270 nan 0.000 0.433 368 L N 0.279 120.958 121.223 -0.906 0.000 1.994 368 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 368 L C 2.092 178.574 176.870 -0.648 0.000 1.071 368 L CA 2.049 56.329 54.840 -0.933 0.000 0.745 368 L CB -0.885 40.779 42.059 -0.658 0.000 0.892 368 L HN 0.122 nan 8.230 nan 0.000 0.431 369 T N -0.731 113.528 114.554 -0.493 0.000 2.759 369 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 369 T C 1.710 176.170 174.700 -0.401 0.000 1.042 369 T CA 1.727 63.631 62.100 -0.326 0.000 1.140 369 T CB -0.277 68.479 68.868 -0.187 0.000 0.864 369 T HN 0.462 nan 8.240 nan 0.000 0.455 370 E N 0.953 120.875 120.200 -0.463 0.000 2.047 370 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 370 E C 2.629 178.763 176.600 -0.776 0.000 0.987 370 E CA 0.906 57.003 56.400 -0.505 0.000 0.799 370 E CB -0.250 29.204 29.700 -0.411 0.000 0.752 370 E HN 0.487 nan 8.360 nan 0.000 0.449 371 A N 0.873 123.113 122.820 -0.966 0.000 1.908 371 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 371 A C 2.485 179.721 177.584 -0.580 0.000 1.181 371 A CA 1.321 52.825 52.037 -0.888 0.000 0.627 371 A CB -0.787 17.828 19.000 -0.642 0.000 0.818 371 A HN 0.139 nan 8.150 nan 0.000 0.445 372 V N -0.151 119.423 119.914 -0.567 0.000 2.332 372 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 372 V C 2.769 178.583 176.094 -0.466 0.000 1.055 372 V CA 2.487 64.407 62.300 -0.634 0.000 1.038 372 V CB -0.696 30.580 31.823 -0.912 0.000 0.651 372 V HN 0.748 nan 8.190 nan 0.000 0.450 373 Q N 0.861 120.422 119.800 -0.398 0.000 2.016 373 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 373 Q C 2.270 178.151 176.000 -0.198 0.000 0.978 373 Q CA 2.231 57.882 55.803 -0.253 0.000 0.833 373 Q CB -0.502 28.113 28.738 -0.206 0.000 0.895 373 Q HN 0.600 nan 8.270 nan 0.000 0.427 374 K N -0.314 119.927 120.400 -0.266 0.000 2.103 374 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 374 K C 1.981 178.491 176.600 -0.151 0.000 1.048 374 K CA 1.613 57.792 56.287 -0.179 0.000 0.930 374 K CB -0.270 32.116 32.500 -0.190 0.000 0.716 374 K HN 0.341 nan 8.250 nan 0.000 0.444 375 I N 0.849 121.279 120.570 -0.233 0.000 2.202 375 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 375 I C 2.205 178.317 176.117 -0.009 0.000 1.091 375 I CA 1.462 62.640 61.300 -0.203 0.000 1.368 375 I CB -0.392 37.456 38.000 -0.254 0.000 1.058 375 I HN 0.230 nan 8.210 nan 0.000 0.410 376 T N 0.105 114.702 114.554 0.071 0.000 2.635 376 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 376 T C 1.891 176.615 174.700 0.039 0.000 1.040 376 T CA 2.286 64.452 62.100 0.111 0.000 1.156 376 T CB -0.624 68.285 68.868 0.068 0.000 0.863 376 T HN 0.379 nan 8.240 nan 0.000 0.430 377 T N 1.516 116.069 114.554 -0.002 0.000 2.665 377 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 377 T C 1.919 176.603 174.700 -0.027 0.000 1.035 377 T CA 1.713 63.807 62.100 -0.009 0.000 1.151 377 T CB -0.350 68.509 68.868 -0.015 0.000 0.862 377 T HN 0.598 nan 8.240 nan 0.000 0.438 378 E N 0.728 120.905 120.200 -0.038 0.000 2.051 378 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 378 E C 2.342 178.850 176.600 -0.155 0.000 0.991 378 E CA 1.372 57.718 56.400 -0.090 0.000 0.799 378 E CB -0.100 29.567 29.700 -0.055 0.000 0.748 378 E HN 0.385 nan 8.360 nan 0.000 0.449 379 S N 0.659 116.352 115.700 -0.012 0.000 2.359 379 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 379 S C 1.983 176.591 174.600 0.013 0.000 1.035 379 S CA 1.310 59.588 58.200 0.129 0.000 1.018 379 S CB -0.314 63.052 63.200 0.277 0.000 0.876 379 S HN 0.304 nan 8.310 nan 0.000 0.448 380 I N 1.366 121.940 120.570 0.008 0.000 2.208 380 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 380 I C 2.141 178.216 176.117 -0.070 0.000 1.097 380 I CA 0.981 62.278 61.300 -0.005 0.000 1.363 380 I CB -0.468 37.539 38.000 0.011 0.000 1.051 380 I HN 0.166 nan 8.210 nan 0.000 0.413 381 V N 0.691 120.534 119.914 -0.118 0.000 2.307 381 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 381 V C 2.215 178.145 176.094 -0.273 0.000 1.045 381 V CA 1.790 64.000 62.300 -0.151 0.000 1.024 381 V CB -0.431 31.311 31.823 -0.136 0.000 0.651 381 V HN 0.300 nan 8.190 nan 0.000 0.449 382 I N -1.506 118.768 120.570 -0.494 0.000 2.233 382 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 382 I C 2.208 177.793 176.117 -0.887 0.000 1.093 382 I CA 1.600 62.391 61.300 -0.849 0.000 1.380 382 I CB -0.216 36.866 38.000 -1.529 0.000 1.067 382 I HN 0.359 nan 8.210 nan 0.000 0.413 383 W N -0.117 121.027 121.300 -0.261 0.000 3.107 383 W HA 0.377 5.037 4.660 0.000 0.000 0.293 383 W C 1.577 177.985 176.519 -0.185 0.000 1.239 383 W CA 0.787 57.917 57.345 -0.358 0.000 1.653 383 W CB -0.408 28.753 29.460 -0.500 0.000 1.068 383 W HN 0.336 nan 8.180 nan 0.000 0.615 384 G N 1.844 110.660 108.800 0.027 0.000 2.157 384 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 384 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 384 G C 0.238 175.181 174.900 0.071 0.000 0.979 384 G CA 0.814 45.938 45.100 0.040 0.000 0.650 384 G HN 0.327 nan 8.290 nan 0.000 0.529 385 K N -1.262 119.199 120.400 0.103 0.000 2.556 385 K HA 0.693 5.013 4.320 -0.000 0.000 0.289 385 K C -0.481 176.174 176.600 0.091 0.000 1.040 385 K CA -0.210 56.129 56.287 0.088 0.000 0.894 385 K CB 0.653 33.202 32.500 0.082 0.000 1.547 385 K HN 0.546 nan 8.250 nan 0.000 0.417 386 T N -0.246 114.346 114.554 0.063 0.000 2.902 386 T HA 0.540 4.890 4.350 -0.000 0.000 0.283 386 T C -2.092 172.581 174.700 -0.045 0.000 1.009 386 T CA -1.444 60.685 62.100 0.048 0.000 1.051 386 T CB 1.315 70.241 68.868 0.096 0.000 0.999 386 T HN 0.505 nan 8.240 nan 0.000 0.474 387 P HA 0.391 nan 4.420 nan 0.000 0.279 387 P C -1.000 176.058 177.300 -0.403 0.000 1.276 387 P CA -0.865 62.008 63.100 -0.379 0.000 0.801 387 P CB 1.076 32.411 31.700 -0.609 0.000 1.127 388 K N 0.352 120.524 120.400 -0.380 0.000 2.156 388 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 388 K C -0.405 175.980 176.600 -0.357 0.000 0.995 388 K CA -0.339 55.820 56.287 -0.214 0.000 0.890 388 K CB 0.601 33.015 32.500 -0.142 0.000 1.073 388 K HN 0.307 nan 8.250 nan 0.000 0.454 389 F N 1.461 121.372 119.950 -0.065 0.000 2.432 389 F HA 0.364 4.891 4.527 -0.000 0.000 0.329 389 F C 0.494 176.312 175.800 0.029 0.000 1.076 389 F CA -0.731 57.239 58.000 -0.050 0.000 1.018 389 F CB 1.224 40.180 39.000 -0.074 0.000 1.201 389 F HN 0.060 nan 8.300 nan 0.000 0.489 390 K N 4.180 124.692 120.400 0.186 0.000 2.450 390 K HA 0.570 4.890 4.320 -0.000 0.000 0.257 390 K C -1.355 175.380 176.600 0.225 0.000 0.953 390 K CA -0.337 56.058 56.287 0.180 0.000 0.844 390 K CB 1.924 34.479 32.500 0.092 0.000 1.103 390 K HN 0.557 nan 8.250 nan 0.000 0.429 391 L N 3.672 125.077 121.223 0.304 0.000 2.386 391 L HA 0.439 4.779 4.340 -0.000 0.000 0.271 391 L C -2.032 175.035 176.870 0.329 0.000 0.993 391 L CA -2.179 52.792 54.840 0.217 0.000 0.819 391 L CB 2.407 44.441 42.059 -0.041 0.000 1.294 391 L HN 0.261 nan 8.230 nan 0.000 0.414 392 P HA 0.158 nan 4.420 nan 0.000 0.238 392 P C -0.587 176.892 177.300 0.298 0.000 1.714 392 P CA 0.505 63.816 63.100 0.350 0.000 0.908 392 P CB 0.130 31.985 31.700 0.257 0.000 1.893 393 I N -0.963 119.774 120.570 0.278 0.000 2.775 393 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 393 I C -1.079 174.993 176.117 -0.075 0.000 1.287 393 I CA -0.980 60.333 61.300 0.022 0.000 1.029 393 I CB 2.763 40.716 38.000 -0.078 0.000 1.282 393 I HN -0.203 nan 8.210 nan 0.000 0.426 394 Q N 5.659 125.294 119.800 -0.275 0.000 2.286 394 Q HA 0.181 4.521 4.340 -0.000 0.000 0.257 394 Q C 0.762 176.827 176.000 0.108 0.000 0.941 394 Q CA -0.217 55.395 55.803 -0.318 0.000 0.912 394 Q CB 1.673 30.172 28.738 -0.397 0.000 1.192 394 Q HN 0.533 nan 8.270 nan 0.000 0.410 395 K N 2.241 122.785 120.400 0.240 0.000 2.242 395 K HA -0.312 4.008 4.320 -0.000 0.000 0.206 395 K C 1.034 177.807 176.600 0.289 0.000 1.045 395 K CA 1.718 58.223 56.287 0.363 0.000 0.930 395 K CB 0.305 32.850 32.500 0.076 0.000 0.726 395 K HN 0.500 nan 8.250 nan 0.000 0.462 396 E N -0.391 119.891 120.200 0.136 0.000 2.046 396 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 396 E C 1.793 178.458 176.600 0.108 0.000 0.982 396 E CA 1.645 58.106 56.400 0.101 0.000 0.800 396 E CB -0.223 29.492 29.700 0.025 0.000 0.756 396 E HN 0.284 nan 8.360 nan 0.000 0.449 397 T N 0.978 115.572 114.554 0.067 0.000 2.607 397 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 397 T C 1.392 176.161 174.700 0.116 0.000 1.049 397 T CA 1.490 63.606 62.100 0.027 0.000 1.162 397 T CB -0.643 68.196 68.868 -0.048 0.000 0.863 397 T HN 0.403 nan 8.240 nan 0.000 0.424 398 W N 2.250 123.557 121.300 0.012 0.000 2.315 398 W HA -0.221 4.439 4.660 -0.000 0.000 0.323 398 W C 2.207 178.886 176.519 0.267 0.000 1.233 398 W CA 1.975 59.369 57.345 0.082 0.000 1.267 398 W CB -0.682 28.801 29.460 0.037 0.000 1.160 398 W HN 0.415 nan 8.180 nan 0.000 0.474 399 E N -0.496 120.056 120.200 0.588 0.000 2.118 399 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 399 E C 2.117 178.659 176.600 -0.096 0.000 0.992 399 E CA 2.494 59.135 56.400 0.401 0.000 0.804 399 E CB -0.321 29.614 29.700 0.392 0.000 0.741 399 E HN 0.089 nan 8.360 nan 0.000 0.458 400 T N -0.136 114.402 114.554 -0.027 0.000 2.720 400 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 400 T C 0.996 175.602 174.700 -0.156 0.000 1.037 400 T CA 1.461 63.495 62.100 -0.109 0.000 1.144 400 T CB -0.395 68.448 68.868 -0.041 0.000 0.864 400 T HN 0.468 nan 8.240 nan 0.000 0.444 401 W N 1.460 122.583 121.300 -0.295 0.000 2.407 401 W HA -0.022 4.638 4.660 -0.000 0.000 0.305 401 W C 2.281 178.619 176.519 -0.302 0.000 1.196 401 W CA 0.893 58.041 57.345 -0.327 0.000 1.311 401 W CB -0.406 28.802 29.460 -0.420 0.000 1.135 401 W HN 0.474 nan 8.180 nan 0.000 0.514 402 W N 0.257 121.292 121.300 -0.441 0.000 2.388 402 W HA -0.102 4.558 4.660 0.000 0.000 0.294 402 W C 1.412 177.727 176.519 -0.340 0.000 1.212 402 W CA 1.575 58.586 57.345 -0.557 0.000 1.271 402 W CB -1.397 27.886 29.460 -0.295 0.000 1.126 402 W HN -0.268 nan 8.180 nan 0.000 0.535 403 T N 1.560 115.425 114.554 -1.150 0.000 2.849 403 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 403 T C 1.138 175.497 174.700 -0.568 0.000 1.066 403 T CA 2.100 63.424 62.100 -1.293 0.000 1.130 403 T CB -0.231 67.940 68.868 -1.162 0.000 0.864 403 T HN 0.300 nan 8.240 nan 0.000 0.481 404 E N -1.051 118.880 120.200 -0.448 0.000 2.498 404 E HA 0.143 4.493 4.350 -0.000 0.000 0.203 404 E C -0.463 175.977 176.600 -0.267 0.000 1.013 404 E CA -0.329 55.892 56.400 -0.298 0.000 0.927 404 E CB 0.403 29.956 29.700 -0.246 0.000 1.012 404 E HN 0.409 nan 8.360 nan 0.000 0.482 405 Y N 1.224 121.168 120.300 -0.594 0.000 2.304 405 Y HA -0.009 4.541 4.550 -0.000 0.000 0.328 405 Y C 0.950 176.651 175.900 -0.331 0.000 1.123 405 Y CA -1.278 56.428 58.100 -0.657 0.000 1.218 405 Y CB 0.435 38.080 38.460 -1.359 0.000 1.207 405 Y HN 0.118 nan 8.280 nan 0.000 0.495 406 W N 3.635 124.549 121.300 -0.642 0.000 2.392 406 W HA -0.074 4.586 4.660 -0.000 0.000 0.279 406 W C -0.566 175.700 176.519 -0.422 0.000 1.225 406 W CA 0.334 57.399 57.345 -0.467 0.000 1.233 406 W CB -0.366 28.846 29.460 -0.414 0.000 1.122 406 W HN 0.502 nan 8.180 nan 0.000 0.561 407 Q N 0.929 120.018 119.800 -1.184 0.000 2.260 407 Q HA 0.506 4.846 4.340 -0.000 0.000 0.242 407 Q C -0.112 175.740 176.000 -0.246 0.000 0.932 407 Q CA -0.394 54.963 55.803 -0.743 0.000 0.891 407 Q CB 1.779 29.934 28.738 -0.971 0.000 1.222 407 Q HN 0.012 nan 8.270 nan 0.000 0.453 408 A N 1.537 124.293 122.820 -0.106 0.000 2.327 408 A HA 0.535 4.855 4.320 -0.000 0.000 0.283 408 A C -0.128 177.459 177.584 0.005 0.000 1.127 408 A CA -0.001 52.025 52.037 -0.019 0.000 0.810 408 A CB 1.269 20.259 19.000 -0.016 0.000 1.066 408 A HN 0.622 nan 8.150 nan 0.000 0.492 409 T N 1.144 115.718 114.554 0.032 0.000 2.778 409 T HA 0.673 5.023 4.350 -0.000 0.000 0.293 409 T C -1.802 173.042 174.700 0.241 0.000 1.144 409 T CA -0.458 61.711 62.100 0.115 0.000 1.010 409 T CB 1.075 70.040 68.868 0.162 0.000 1.325 409 T HN 0.813 nan 8.240 nan 0.000 0.515 410 W N 2.720 123.997 121.300 -0.039 0.000 3.248 410 W HA 0.609 5.269 4.660 -0.000 0.000 0.311 410 W C -2.217 174.250 176.519 -0.087 0.000 1.258 410 W CA -1.198 56.102 57.345 -0.076 0.000 1.191 410 W CB 1.337 30.740 29.460 -0.095 0.000 1.389 410 W HN 0.825 nan 8.180 nan 0.000 0.561 411 I N 2.320 122.193 120.570 -1.162 0.000 2.627 411 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 411 I C -2.598 172.782 176.117 -1.228 0.000 1.202 411 I CA -2.084 58.588 61.300 -1.046 0.000 1.050 411 I CB 1.646 39.031 38.000 -1.026 0.000 1.264 411 I HN 0.034 nan 8.210 nan 0.000 0.429 412 P HA -0.000 nan 4.420 nan 0.000 0.287 412 P C -0.467 176.710 177.300 -0.205 0.000 1.282 412 P CA -0.024 62.858 63.100 -0.363 0.000 0.804 412 P CB 0.337 32.034 31.700 -0.005 0.000 1.323 413 E N 0.348 120.534 120.200 -0.025 0.000 2.417 413 E HA 0.052 4.402 4.350 -0.000 0.000 0.261 413 E C -0.617 176.056 176.600 0.121 0.000 1.000 413 E CA 0.537 56.929 56.400 -0.013 0.000 0.919 413 E CB 0.096 29.788 29.700 -0.014 0.000 0.955 413 E HN 0.367 nan 8.360 nan 0.000 0.455 414 W N 2.776 123.984 121.300 -0.152 0.000 3.217 414 W HA 0.515 5.175 4.660 -0.000 0.000 0.323 414 W C -1.082 175.386 176.519 -0.086 0.000 1.216 414 W CA -0.799 56.484 57.345 -0.104 0.000 1.194 414 W CB 0.677 30.008 29.460 -0.214 0.000 1.397 414 W HN 0.343 nan 8.180 nan 0.000 0.537 415 E N 1.973 122.197 120.200 0.040 0.000 2.277 415 E HA 0.383 4.733 4.350 -0.000 0.000 0.266 415 E C -1.341 175.407 176.600 0.246 0.000 0.901 415 E CA -1.115 55.235 56.400 -0.083 0.000 0.782 415 E CB 2.928 32.594 29.700 -0.056 0.000 1.228 415 E HN 0.265 nan 8.360 nan 0.000 0.424 416 F N 2.149 122.107 119.950 0.013 0.000 2.429 416 F HA 0.300 4.827 4.527 -0.000 0.000 0.348 416 F C -0.717 175.147 175.800 0.106 0.000 1.109 416 F CA -0.562 57.538 58.000 0.167 0.000 1.232 416 F CB 0.753 39.821 39.000 0.112 0.000 1.157 416 F HN 0.071 nan 8.300 nan 0.000 0.564 417 V N 6.701 126.382 119.914 -0.389 0.000 2.462 417 V HA 0.155 4.275 4.120 -0.000 0.000 0.288 417 V C -0.409 175.238 176.094 -0.746 0.000 1.020 417 V CA -1.112 60.898 62.300 -0.484 0.000 0.857 417 V CB 1.235 33.003 31.823 -0.091 0.000 1.013 417 V HN 0.771 nan 8.190 nan 0.000 0.431 418 N N 4.139 122.245 118.700 -0.990 0.000 2.416 418 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 418 N C -0.264 175.171 175.510 -0.126 0.000 1.245 418 N CA 0.443 53.202 53.050 -0.486 0.000 0.940 418 N CB 0.900 39.231 38.487 -0.261 0.000 1.175 418 N HN 0.852 nan 8.380 nan 0.000 0.483 419 T N 1.541 116.106 114.554 0.018 0.000 3.395 419 T HA 0.415 4.765 4.350 -0.000 0.000 0.330 419 T C -3.114 171.641 174.700 0.092 0.000 1.076 419 T CA -1.420 60.708 62.100 0.047 0.000 1.070 419 T CB 1.856 70.750 68.868 0.043 0.000 1.119 419 T HN 0.117 nan 8.240 nan 0.000 0.462 420 P HA 0.438 nan 4.420 nan 0.000 0.271 420 P C -2.298 175.040 177.300 0.064 0.000 1.218 420 P CA -0.835 62.316 63.100 0.085 0.000 0.780 420 P CB -0.179 31.566 31.700 0.075 0.000 0.901 421 P HA 0.302 nan 4.420 nan 0.000 0.274 421 P C -1.064 176.301 177.300 0.108 0.000 1.237 421 P CA -0.329 62.821 63.100 0.082 0.000 0.793 421 P CB 0.498 32.233 31.700 0.059 0.000 0.977 422 L N 1.500 122.795 121.223 0.120 0.000 2.322 422 L HA 0.379 4.719 4.340 -0.000 0.000 0.281 422 L C -0.748 176.152 176.870 0.049 0.000 1.014 422 L CA -1.020 53.894 54.840 0.123 0.000 0.815 422 L CB 1.516 43.662 42.059 0.144 0.000 1.247 422 L HN 0.024 nan 8.230 nan 0.000 0.421 423 V N 5.450 125.399 119.914 0.058 0.000 2.585 423 V HA 0.222 4.342 4.120 -0.000 0.000 0.296 423 V C 0.052 176.048 176.094 -0.164 0.000 1.035 423 V CA 0.154 62.446 62.300 -0.013 0.000 1.084 423 V CB 0.211 32.054 31.823 0.033 0.000 0.953 423 V HN 0.895 nan 8.190 nan 0.000 0.483 424 K N 4.273 124.487 120.400 -0.310 0.000 2.642 424 K HA 0.559 4.879 4.320 -0.000 0.000 0.290 424 K C -1.782 174.479 176.600 -0.564 0.000 1.006 424 K CA -1.118 54.901 56.287 -0.445 0.000 0.869 424 K CB 1.500 33.666 32.500 -0.555 0.000 1.499 424 K HN 0.313 nan 8.250 nan 0.000 0.403 425 L N 2.083 123.056 121.223 -0.417 0.000 2.261 425 L HA 0.281 4.621 4.340 -0.000 0.000 0.289 425 L C 0.304 177.017 176.870 -0.261 0.000 1.059 425 L CA -0.628 54.027 54.840 -0.309 0.000 0.816 425 L CB 0.072 42.015 42.059 -0.192 0.000 1.191 425 L HN 0.677 nan 8.230 nan 0.000 0.431 426 W N 3.108 124.419 121.300 0.018 0.000 2.525 426 W HA -0.099 4.561 4.660 -0.000 0.000 0.259 426 W C 0.292 176.946 176.519 0.225 0.000 1.253 426 W CA -0.013 57.405 57.345 0.122 0.000 1.262 426 W CB 0.045 29.615 29.460 0.183 0.000 1.122 426 W HN 0.542 nan 8.180 nan 0.000 0.607 427 Y N -2.461 117.963 120.300 0.206 0.000 2.620 427 Y HA 0.495 5.045 4.550 -0.000 0.000 0.331 427 Y C -1.242 174.711 175.900 0.089 0.000 1.173 427 Y CA -2.092 56.091 58.100 0.138 0.000 1.076 427 Y CB 0.305 38.845 38.460 0.133 0.000 1.336 427 Y HN -0.197 nan 8.280 nan 0.000 0.459 428 Q N 3.129 123.011 119.800 0.138 0.000 2.375 428 Q HA 0.640 4.980 4.340 -0.000 0.000 0.271 428 Q C -1.305 174.789 176.000 0.158 0.000 1.074 428 Q CA -1.105 54.725 55.803 0.045 0.000 0.808 428 Q CB 3.219 31.970 28.738 0.022 0.000 1.327 428 Q HN 0.762 nan 8.270 nan 0.000 0.441 429 L N 1.846 123.148 121.223 0.132 0.000 2.395 429 L HA 0.278 4.618 4.340 -0.000 0.000 0.269 429 L C 0.516 177.468 176.870 0.138 0.000 1.133 429 L CA -0.667 54.266 54.840 0.155 0.000 0.812 429 L CB 0.559 42.695 42.059 0.128 0.000 1.125 429 L HN 0.456 nan 8.230 nan 0.000 0.452 430 E N 1.715 122.023 120.200 0.179 0.000 2.392 430 E HA 0.070 4.420 4.350 -0.000 0.000 0.259 430 E C 0.008 176.758 176.600 0.251 0.000 1.108 430 E CA 0.028 56.532 56.400 0.174 0.000 0.916 430 E CB 0.881 30.675 29.700 0.158 0.000 0.989 430 E HN 0.407 nan 8.360 nan 0.000 0.432 431 K N 0.844 121.331 120.400 0.145 0.000 2.358 431 K HA 0.131 4.451 4.320 -0.000 0.000 0.197 431 K C -0.165 176.478 176.600 0.072 0.000 1.025 431 K CA 0.158 56.538 56.287 0.155 0.000 1.104 431 K CB 0.725 33.267 32.500 0.069 0.000 0.855 431 K HN 0.269 nan 8.250 nan 0.000 0.531 432 E N 1.330 121.431 120.200 -0.165 0.000 2.308 432 E HA 0.206 4.556 4.350 -0.000 0.000 0.275 432 E C -2.843 173.183 176.600 -0.958 0.000 0.890 432 E CA -2.320 53.811 56.400 -0.449 0.000 0.754 432 E CB 2.083 31.657 29.700 -0.211 0.000 1.207 432 E HN -0.112 nan 8.360 nan 0.000 0.426 433 P HA 0.083 nan 4.420 nan 0.000 0.262 433 P C 0.209 177.282 177.300 -0.379 0.000 1.199 433 P CA 0.237 62.783 63.100 -0.923 0.000 0.763 433 P CB 0.387 31.847 31.700 -0.401 0.000 0.790 434 I N 3.619 124.053 120.570 -0.227 0.000 2.648 434 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 434 I C 1.138 177.220 176.117 -0.058 0.000 1.153 434 I CA -0.310 60.931 61.300 -0.098 0.000 1.426 434 I CB 0.549 38.532 38.000 -0.029 0.000 1.381 434 I HN 0.197 nan 8.210 nan 0.000 0.571 435 V N 3.193 123.080 119.914 -0.046 0.000 2.607 435 V HA 0.744 4.864 4.120 -0.000 0.000 0.289 435 V C 1.008 177.095 176.094 -0.011 0.000 1.053 435 V CA 0.162 62.446 62.300 -0.027 0.000 0.996 435 V CB 0.661 32.468 31.823 -0.027 0.000 0.995 435 V HN 1.114 nan 8.190 nan 0.000 0.476 436 G N 2.378 111.175 108.800 -0.004 0.000 2.304 436 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.252 436 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.252 436 G C 0.604 175.509 174.900 0.009 0.000 1.014 436 G CA 0.292 45.392 45.100 0.001 0.000 0.619 436 G HN 2.085 nan 8.290 nan 0.000 0.525 437 A N 0.532 123.360 122.820 0.014 0.000 2.425 437 A HA 0.588 4.908 4.320 -0.000 0.000 0.249 437 A C 0.505 178.113 177.584 0.041 0.000 1.084 437 A CA 0.715 52.771 52.037 0.031 0.000 0.781 437 A CB 0.312 19.334 19.000 0.036 0.000 1.019 437 A HN 0.644 nan 8.150 nan 0.000 0.490 438 E N 0.573 120.807 120.200 0.057 0.000 2.418 438 E HA 0.209 4.559 4.350 -0.000 0.000 0.261 438 E C -0.598 176.049 176.600 0.078 0.000 1.070 438 E CA 0.328 56.750 56.400 0.037 0.000 0.931 438 E CB 0.448 30.169 29.700 0.034 0.000 0.954 438 E HN 0.571 nan 8.360 nan 0.000 0.439 439 T N 4.167 118.720 114.554 -0.001 0.000 2.791 439 T HA 0.323 4.673 4.350 -0.000 0.000 0.288 439 T C -1.010 173.651 174.700 -0.064 0.000 0.999 439 T CA -0.419 61.693 62.100 0.021 0.000 0.952 439 T CB 0.055 68.945 68.868 0.037 0.000 0.938 439 T HN 0.220 nan 8.240 nan 0.000 0.444 440 F N 2.821 122.681 119.950 -0.150 0.000 2.405 440 F HA 0.397 4.924 4.527 -0.000 0.000 0.355 440 F C -0.096 175.597 175.800 -0.178 0.000 1.121 440 F CA -1.047 56.873 58.000 -0.133 0.000 1.112 440 F CB 0.659 39.531 39.000 -0.214 0.000 1.126 440 F HN 0.524 nan 8.300 nan 0.000 0.481 441 Y N 3.219 123.597 120.300 0.131 0.000 2.518 441 Y HA 0.420 4.970 4.550 -0.000 0.000 0.344 441 Y C 0.016 176.019 175.900 0.171 0.000 0.982 441 Y CA -0.591 57.572 58.100 0.106 0.000 1.234 441 Y CB 0.714 39.201 38.460 0.044 0.000 1.114 441 Y HN 0.206 nan 8.280 nan 0.000 0.515 442 V N 3.992 124.033 119.914 0.211 0.000 2.481 442 V HA 0.332 4.452 4.120 -0.000 0.000 0.286 442 V C -0.419 175.761 176.094 0.142 0.000 1.042 442 V CA -0.261 62.166 62.300 0.211 0.000 0.928 442 V CB 1.720 33.638 31.823 0.158 0.000 0.986 442 V HN 0.708 nan 8.190 nan 0.000 0.462 443 D N 2.293 122.772 120.400 0.131 0.000 2.602 443 D HA 0.771 5.411 4.640 -0.000 0.000 0.236 443 D C -0.323 176.020 176.300 0.072 0.000 1.209 443 D CA 0.066 54.115 54.000 0.082 0.000 0.831 443 D CB 2.339 43.176 40.800 0.061 0.000 1.478 443 D HN 0.809 nan 8.370 nan 0.000 0.438 444 G N -0.294 108.542 108.800 0.060 0.000 2.684 444 G HA2 0.881 4.841 3.960 -0.000 0.000 0.290 444 G HA3 0.881 4.841 3.960 -0.000 0.000 0.290 444 G C -1.689 173.242 174.900 0.052 0.000 1.425 444 G CA -0.292 44.843 45.100 0.058 0.000 0.822 444 G HN 0.939 nan 8.290 nan 0.000 0.482 445 A N -1.330 121.519 122.820 0.049 0.000 2.596 445 A HA 0.857 5.177 4.320 -0.000 0.000 0.305 445 A C -0.598 177.010 177.584 0.039 0.000 1.032 445 A CA 0.386 52.452 52.037 0.049 0.000 0.776 445 A CB 0.584 19.617 19.000 0.056 0.000 1.253 445 A HN 2.488 nan 8.150 nan 0.000 0.402 446 A N 1.542 124.383 122.820 0.035 0.000 2.386 446 A HA 0.852 5.172 4.320 -0.000 0.000 0.308 446 A C -0.467 177.131 177.584 0.023 0.000 1.128 446 A CA -0.696 51.357 52.037 0.025 0.000 0.789 446 A CB 1.178 20.190 19.000 0.020 0.000 1.325 446 A HN 1.077 nan 8.150 nan 0.000 0.437 447 N N 0.429 119.139 118.700 0.017 0.000 2.426 447 N HA 0.165 4.905 4.740 -0.000 0.000 0.257 447 N C 0.920 176.436 175.510 0.009 0.000 1.002 447 N CA -0.286 52.772 53.050 0.014 0.000 0.942 447 N CB 0.802 39.296 38.487 0.012 0.000 1.112 447 N HN 0.654 nan 8.380 nan 0.000 0.499 448 R N 1.886 122.391 120.500 0.008 0.000 2.103 448 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 448 R C 1.005 177.307 176.300 0.003 0.000 1.142 448 R CA 1.293 57.396 56.100 0.004 0.000 0.960 448 R CB 0.137 30.439 30.300 0.002 0.000 0.858 448 R HN 0.599 nan 8.270 nan 0.000 0.439 449 E N -0.248 119.954 120.200 0.003 0.000 2.028 449 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 449 E C 2.175 178.777 176.600 0.003 0.000 0.984 449 E CA 1.992 58.393 56.400 0.003 0.000 0.800 449 E CB -0.368 29.333 29.700 0.002 0.000 0.758 449 E HN 0.449 nan 8.360 nan 0.000 0.448 450 T N -2.160 112.397 114.554 0.005 0.000 3.043 450 T HA 0.064 4.414 4.350 -0.000 0.000 0.263 450 T C 1.288 175.991 174.700 0.005 0.000 1.094 450 T CA 2.110 64.213 62.100 0.005 0.000 1.127 450 T CB -0.170 68.701 68.868 0.006 0.000 0.905 450 T HN 0.236 nan 8.240 nan 0.000 0.490 451 K N 0.006 120.410 120.400 0.006 0.000 3.281 451 K HA -0.088 4.232 4.320 -0.000 0.000 0.295 451 K C 0.125 176.730 176.600 0.008 0.000 1.233 451 K CA 1.490 57.781 56.287 0.006 0.000 0.866 451 K CB -2.897 29.605 32.500 0.005 0.000 1.265 451 K HN 0.728 nan 8.250 nan 0.000 0.482 452 L N -0.550 120.679 121.223 0.009 0.000 2.317 452 L HA 0.827 5.167 4.340 -0.000 0.000 0.281 452 L C 1.190 178.068 176.870 0.013 0.000 1.024 452 L CA -0.410 54.436 54.840 0.010 0.000 0.810 452 L CB 2.275 44.339 42.059 0.009 0.000 1.240 452 L HN 0.476 nan 8.230 nan 0.000 0.427 453 G N 1.948 110.757 108.800 0.015 0.000 2.911 453 G HA2 0.778 4.738 3.960 -0.000 0.000 0.299 453 G HA3 0.778 4.738 3.960 -0.000 0.000 0.299 453 G C -1.788 173.122 174.900 0.018 0.000 1.283 453 G CA -0.587 44.525 45.100 0.019 0.000 0.805 453 G HN 0.586 nan 8.290 nan 0.000 0.548 454 K N -1.887 118.526 120.400 0.022 0.000 2.578 454 K HA 0.733 5.053 4.320 -0.000 0.000 0.269 454 K C -1.321 175.294 176.600 0.024 0.000 0.941 454 K CA -0.877 55.420 56.287 0.017 0.000 0.847 454 K CB 1.966 34.471 32.500 0.009 0.000 1.397 454 K HN 1.110 nan 8.250 nan 0.000 0.422 455 A N 1.030 123.862 122.820 0.019 0.000 2.365 455 A HA 0.948 5.268 4.320 -0.000 0.000 0.318 455 A C -0.445 177.135 177.584 -0.008 0.000 1.091 455 A CA -0.190 51.865 52.037 0.030 0.000 0.763 455 A CB 1.756 20.789 19.000 0.055 0.000 1.248 455 A HN 1.036 nan 8.150 nan 0.000 0.442 456 G N -0.305 108.497 108.800 0.003 0.000 2.606 456 G HA2 0.736 4.696 3.960 -0.000 0.000 0.300 456 G HA3 0.736 4.696 3.960 -0.000 0.000 0.300 456 G C -1.489 173.438 174.900 0.044 0.000 1.360 456 G CA 0.061 45.112 45.100 -0.081 0.000 0.783 456 G HN 1.942 nan 8.290 nan 0.000 0.484 457 Y N -2.852 117.522 120.300 0.123 0.000 2.677 457 Y HA 0.790 5.340 4.550 0.000 0.000 0.334 457 Y C -1.465 174.502 175.900 0.111 0.000 1.196 457 Y CA -1.971 56.230 58.100 0.169 0.000 1.059 457 Y CB 1.149 39.806 38.460 0.328 0.000 1.315 457 Y HN 0.707 nan 8.280 nan 0.000 0.455 458 V N 2.089 122.266 119.914 0.439 0.000 2.668 458 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 458 V C -0.236 175.924 176.094 0.110 0.000 1.071 458 V CA -0.139 62.300 62.300 0.232 0.000 0.894 458 V CB 1.823 33.713 31.823 0.111 0.000 1.008 458 V HN 1.162 nan 8.190 nan 0.000 0.425 459 T N 0.206 114.691 114.554 -0.116 0.000 2.923 459 T HA 0.302 4.652 4.350 -0.000 0.000 0.281 459 T C 1.175 175.810 174.700 -0.108 0.000 0.995 459 T CA -0.294 61.625 62.100 -0.301 0.000 0.985 459 T CB 1.127 69.554 68.868 -0.734 0.000 1.114 459 T HN 0.637 nan 8.240 nan 0.000 0.548 460 N N 0.897 119.556 118.700 -0.068 0.000 2.244 460 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 460 N C 1.045 176.519 175.510 -0.061 0.000 1.016 460 N CA 0.923 53.954 53.050 -0.032 0.000 0.866 460 N CB -0.423 38.072 38.487 0.013 0.000 0.980 460 N HN 0.682 nan 8.380 nan 0.000 0.430 461 K N 0.100 120.446 120.400 -0.091 0.000 2.569 461 K HA 0.138 4.458 4.320 -0.000 0.000 0.193 461 K C 0.707 177.270 176.600 -0.061 0.000 1.026 461 K CA 0.420 56.664 56.287 -0.072 0.000 1.093 461 K CB -0.176 32.276 32.500 -0.079 0.000 0.849 461 K HN 0.424 nan 8.250 nan 0.000 0.509 462 G N 1.989 110.752 108.800 -0.062 0.000 2.179 462 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 462 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 462 G C 0.080 174.969 174.900 -0.018 0.000 0.977 462 G CA 0.039 45.117 45.100 -0.037 0.000 0.641 462 G HN 0.358 nan 8.290 nan 0.000 0.533 463 R N 0.733 121.210 120.500 -0.038 0.000 2.442 463 R HA 0.585 4.925 4.340 -0.000 0.000 0.291 463 R C 0.312 176.696 176.300 0.139 0.000 1.069 463 R CA 0.505 56.622 56.100 0.028 0.000 1.022 463 R CB 0.314 30.587 30.300 -0.045 0.000 0.976 463 R HN 0.461 nan 8.270 nan 0.000 0.443 464 Q N 2.506 122.404 119.800 0.163 0.000 2.389 464 Q HA 0.432 4.772 4.340 -0.000 0.000 0.277 464 Q C -1.437 174.543 176.000 -0.033 0.000 1.082 464 Q CA -0.955 54.913 55.803 0.109 0.000 0.810 464 Q CB 2.571 31.327 28.738 0.030 0.000 1.374 464 Q HN 0.428 nan 8.270 nan 0.000 0.422 465 K N 1.087 121.292 120.400 -0.325 0.000 2.542 465 K HA 0.639 4.959 4.320 -0.000 0.000 0.259 465 K C -1.968 174.429 176.600 -0.339 0.000 0.932 465 K CA -0.549 55.502 56.287 -0.393 0.000 0.820 465 K CB 2.199 34.324 32.500 -0.626 0.000 1.345 465 K HN 0.374 nan 8.250 nan 0.000 0.432 466 V N 3.108 122.912 119.914 -0.183 0.000 2.655 466 V HA 0.376 4.496 4.120 -0.000 0.000 0.301 466 V C -1.114 174.936 176.094 -0.072 0.000 1.082 466 V CA -0.889 61.342 62.300 -0.116 0.000 0.899 466 V CB 1.918 33.700 31.823 -0.069 0.000 1.014 466 V HN 0.497 nan 8.190 nan 0.000 0.429 467 V N 6.897 126.780 119.914 -0.052 0.000 2.487 467 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 467 V C -2.260 173.832 176.094 -0.004 0.000 1.028 467 V CA -1.789 60.498 62.300 -0.020 0.000 0.860 467 V CB 2.596 34.415 31.823 -0.006 0.000 0.991 467 V HN 0.741 nan 8.190 nan 0.000 0.427 468 P HA 0.418 nan 4.420 nan 0.000 0.281 468 P C -1.256 176.051 177.300 0.011 0.000 1.252 468 P CA -0.202 62.901 63.100 0.005 0.000 0.778 468 P CB 1.247 32.949 31.700 0.003 0.000 0.895 469 L N 2.963 124.194 121.223 0.014 0.000 2.365 469 L HA 0.538 4.878 4.340 -0.000 0.000 0.273 469 L C 0.934 177.812 176.870 0.013 0.000 1.000 469 L CA -0.550 54.300 54.840 0.016 0.000 0.819 469 L CB 2.220 44.292 42.059 0.022 0.000 1.284 469 L HN 0.386 nan 8.230 nan 0.000 0.418 470 T N -1.462 113.099 114.554 0.011 0.000 2.940 470 T HA 0.312 4.662 4.350 -0.000 0.000 0.288 470 T C 0.199 174.905 174.700 0.009 0.000 1.033 470 T CA -0.771 61.334 62.100 0.009 0.000 1.033 470 T CB 1.533 70.405 68.868 0.007 0.000 1.079 470 T HN 0.768 nan 8.240 nan 0.000 0.496 471 N N 0.364 119.068 118.700 0.007 0.000 2.641 471 N HA -0.206 4.534 4.740 -0.000 0.000 0.267 471 N C -0.761 174.754 175.510 0.008 0.000 1.087 471 N CA 0.703 53.757 53.050 0.006 0.000 0.731 471 N CB -0.713 37.777 38.487 0.005 0.000 0.886 471 N HN 0.945 nan 8.380 nan 0.000 0.547 472 T N -0.108 114.451 114.554 0.009 0.000 2.812 472 T HA 0.791 5.141 4.350 -0.000 0.000 0.294 472 T C -0.257 174.448 174.700 0.007 0.000 1.159 472 T CA 0.467 62.574 62.100 0.011 0.000 1.008 472 T CB 2.002 70.880 68.868 0.017 0.000 1.289 472 T HN 0.413 nan 8.240 nan 0.000 0.514 473 T N 0.847 115.404 114.554 0.005 0.000 2.930 473 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 473 T C 1.015 175.714 174.700 -0.002 0.000 1.052 473 T CA -0.828 61.267 62.100 -0.007 0.000 1.017 473 T CB 0.840 69.692 68.868 -0.026 0.000 1.137 473 T HN 0.550 nan 8.240 nan 0.000 0.511 474 N N 0.094 118.789 118.700 -0.008 0.000 2.513 474 N HA -0.113 4.627 4.740 -0.000 0.000 0.187 474 N C 1.536 177.048 175.510 0.002 0.000 1.056 474 N CA 1.128 54.183 53.050 0.007 0.000 0.907 474 N CB 0.262 38.756 38.487 0.011 0.000 0.954 474 N HN 0.666 nan 8.380 nan 0.000 0.445 475 Q N -0.112 119.657 119.800 -0.052 0.000 2.373 475 Q HA 0.118 4.458 4.340 -0.000 0.000 0.210 475 Q C 1.694 177.757 176.000 0.106 0.000 0.913 475 Q CA 0.360 56.126 55.803 -0.062 0.000 0.911 475 Q CB 0.382 28.844 28.738 -0.459 0.000 1.040 475 Q HN 0.194 nan 8.270 nan 0.000 0.521 476 K N 0.378 120.815 120.400 0.063 0.000 2.031 476 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 476 K C 2.345 178.996 176.600 0.085 0.000 1.049 476 K CA 1.878 58.214 56.287 0.083 0.000 0.939 476 K CB -0.448 32.080 32.500 0.046 0.000 0.717 476 K HN 0.313 nan 8.250 nan 0.000 0.438 477 T N -0.321 114.275 114.554 0.069 0.000 2.746 477 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 477 T C 1.887 176.643 174.700 0.095 0.000 1.039 477 T CA 1.233 63.376 62.100 0.072 0.000 1.142 477 T CB -0.282 68.619 68.868 0.055 0.000 0.866 477 T HN 0.242 nan 8.240 nan 0.000 0.444 478 E N 0.690 120.958 120.200 0.113 0.000 2.209 478 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 478 E C 2.020 178.705 176.600 0.141 0.000 0.993 478 E CA 0.986 57.468 56.400 0.137 0.000 0.819 478 E CB -0.250 29.560 29.700 0.183 0.000 0.745 478 E HN 0.540 nan 8.360 nan 0.000 0.477 479 L N -0.272 121.040 121.223 0.149 0.000 2.416 479 L HA -0.037 4.303 4.340 -0.000 0.000 0.216 479 L C 2.309 179.256 176.870 0.128 0.000 1.098 479 L CA 0.214 55.127 54.840 0.121 0.000 0.840 479 L CB 0.102 42.229 42.059 0.114 0.000 0.981 479 L HN 0.067 nan 8.230 nan 0.000 0.462 480 Q N 0.593 120.468 119.800 0.125 0.000 2.123 480 Q HA -0.092 4.248 4.340 -0.000 0.000 0.199 480 Q C 2.213 178.317 176.000 0.174 0.000 0.966 480 Q CA 1.747 57.641 55.803 0.152 0.000 0.845 480 Q CB -0.054 28.747 28.738 0.106 0.000 0.907 480 Q HN 0.417 nan 8.270 nan 0.000 0.439 481 A N 0.246 123.147 122.820 0.134 0.000 1.858 481 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 481 A C 2.094 179.756 177.584 0.130 0.000 1.190 481 A CA 1.615 53.733 52.037 0.135 0.000 0.617 481 A CB -0.847 18.225 19.000 0.121 0.000 0.827 481 A HN 0.447 nan 8.150 nan 0.000 0.443 482 I N -1.990 118.640 120.570 0.101 0.000 2.264 482 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 482 I C 2.447 178.584 176.117 0.033 0.000 1.111 482 I CA 1.702 63.029 61.300 0.046 0.000 1.382 482 I CB -0.334 37.687 38.000 0.034 0.000 1.060 482 I HN 0.544 nan 8.210 nan 0.000 0.418 483 Y N 1.279 121.569 120.300 -0.016 0.000 2.200 483 Y HA -0.198 4.352 4.550 0.000 0.000 0.290 483 Y C 2.222 178.111 175.900 -0.019 0.000 1.137 483 Y CA 1.495 59.576 58.100 -0.031 0.000 1.163 483 Y CB -0.210 38.242 38.460 -0.014 0.000 0.988 483 Y HN 0.023 nan 8.280 nan 0.000 0.518 484 L N -0.570 120.645 121.223 -0.013 0.000 2.017 484 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 484 L C 2.788 179.623 176.870 -0.058 0.000 1.073 484 L CA 1.187 56.017 54.840 -0.015 0.000 0.745 484 L CB -1.079 41.072 42.059 0.154 0.000 0.894 484 L HN 0.308 nan 8.230 nan 0.000 0.432 485 A N 0.297 123.057 122.820 -0.100 0.000 1.883 485 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 485 A C 2.227 179.371 177.584 -0.734 0.000 1.186 485 A CA 1.599 53.252 52.037 -0.640 0.000 0.624 485 A CB -0.839 17.835 19.000 -0.544 0.000 0.822 485 A HN 0.381 nan 8.150 nan 0.000 0.444 486 L N -1.046 119.897 121.223 -0.467 0.000 2.191 486 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 486 L C 2.793 179.423 176.870 -0.400 0.000 1.103 486 L CA 1.539 56.137 54.840 -0.404 0.000 0.769 486 L CB -0.361 41.516 42.059 -0.305 0.000 0.908 486 L HN 0.576 nan 8.230 nan 0.000 0.438 487 Q N -0.463 119.070 119.800 -0.445 0.000 2.269 487 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 487 Q C 0.607 176.484 176.000 -0.206 0.000 0.946 487 Q CA 0.927 56.516 55.803 -0.356 0.000 0.877 487 Q CB 0.434 28.912 28.738 -0.434 0.000 0.963 487 Q HN 0.419 nan 8.270 nan 0.000 0.472 488 D N -0.082 120.195 120.400 -0.205 0.000 2.395 488 D HA 0.051 4.691 4.640 -0.000 0.000 0.213 488 D C -0.083 176.166 176.300 -0.085 0.000 1.110 488 D CA 0.127 54.087 54.000 -0.067 0.000 0.835 488 D CB 0.624 41.502 40.800 0.130 0.000 0.965 488 D HN 0.126 nan 8.370 nan 0.000 0.505 489 S N -1.079 114.467 115.700 -0.258 0.000 2.722 489 S HA 0.747 5.217 4.470 -0.000 0.000 0.292 489 S C 0.794 175.352 174.600 -0.070 0.000 1.135 489 S CA -0.754 57.352 58.200 -0.157 0.000 1.003 489 S CB 2.004 64.955 63.200 -0.415 0.000 1.067 489 S HN 0.015 nan 8.310 nan 0.000 0.546 490 G N -0.357 108.440 108.800 -0.005 0.000 2.553 490 G HA2 0.389 4.349 3.960 -0.000 0.000 0.278 490 G HA3 0.389 4.349 3.960 -0.000 0.000 0.278 490 G C 0.716 175.601 174.900 -0.025 0.000 1.349 490 G CA -0.999 44.097 45.100 -0.007 0.000 1.037 490 G HN 0.762 nan 8.290 nan 0.000 0.508 491 L N -0.779 120.435 121.223 -0.014 0.000 2.450 491 L HA 0.046 4.386 4.340 -0.000 0.000 0.224 491 L C 0.650 177.518 176.870 -0.004 0.000 1.149 491 L CA 1.137 55.969 54.840 -0.013 0.000 0.816 491 L CB -0.518 41.540 42.059 -0.002 0.000 0.932 491 L HN 0.454 nan 8.230 nan 0.000 0.449 492 E N -0.391 119.811 120.200 0.004 0.000 2.246 492 E HA 0.540 4.890 4.350 -0.000 0.000 0.266 492 E C -1.266 175.348 176.600 0.022 0.000 0.880 492 E CA -0.264 56.146 56.400 0.016 0.000 0.762 492 E CB 3.305 33.017 29.700 0.021 0.000 1.180 492 E HN -0.161 nan 8.360 nan 0.000 0.416 493 V N 2.868 122.797 119.914 0.025 0.000 3.049 493 V HA 0.463 4.583 4.120 -0.000 0.000 0.309 493 V C -1.760 174.381 176.094 0.078 0.000 1.148 493 V CA -0.714 61.610 62.300 0.041 0.000 0.990 493 V CB 2.449 34.234 31.823 -0.065 0.000 1.039 493 V HN 0.641 nan 8.190 nan 0.000 0.430 494 N N 5.310 124.081 118.700 0.118 0.000 2.407 494 N HA 0.604 5.344 4.740 -0.000 0.000 0.277 494 N C -1.134 174.421 175.510 0.075 0.000 0.995 494 N CA -0.177 52.959 53.050 0.144 0.000 0.903 494 N CB 2.087 40.670 38.487 0.160 0.000 1.218 494 N HN 0.581 nan 8.380 nan 0.000 0.487 495 I N 1.338 121.906 120.570 -0.003 0.000 2.474 495 I HA 0.429 4.599 4.170 -0.000 0.000 0.294 495 I C -0.345 175.687 176.117 -0.141 0.000 1.005 495 I CA -1.063 60.199 61.300 -0.063 0.000 1.113 495 I CB 2.178 40.129 38.000 -0.083 0.000 1.289 495 I HN -0.044 nan 8.210 nan 0.000 0.436 496 V N 4.708 124.502 119.914 -0.199 0.000 2.487 496 V HA 0.530 4.650 4.120 -0.000 0.000 0.298 496 V C -0.165 175.864 176.094 -0.107 0.000 1.028 496 V CA -0.230 61.935 62.300 -0.225 0.000 0.860 496 V CB 2.217 33.754 31.823 -0.477 0.000 0.991 496 V HN 0.867 nan 8.190 nan 0.000 0.427 497 T N 1.729 116.251 114.554 -0.054 0.000 2.916 497 T HA 0.389 4.739 4.350 -0.000 0.000 0.292 497 T C 0.340 175.009 174.700 -0.052 0.000 1.055 497 T CA -0.537 61.566 62.100 0.004 0.000 1.009 497 T CB 1.950 70.867 68.868 0.082 0.000 1.118 497 T HN 0.756 nan 8.240 nan 0.000 0.497 498 D N -0.452 119.928 120.400 -0.034 0.000 2.366 498 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 498 D C 0.942 177.335 176.300 0.156 0.000 1.022 498 D CA -0.007 53.919 54.000 -0.124 0.000 0.868 498 D CB -0.096 40.628 40.800 -0.127 0.000 0.953 498 D HN 0.417 nan 8.370 nan 0.000 0.514 499 S N 0.428 116.269 115.700 0.235 0.000 2.405 499 S HA 0.075 4.545 4.470 -0.000 0.000 0.291 499 S C 0.946 175.747 174.600 0.335 0.000 1.137 499 S CA -0.440 57.938 58.200 0.297 0.000 1.061 499 S CB 0.962 64.294 63.200 0.220 0.000 1.001 499 S HN 0.071 nan 8.310 nan 0.000 0.507 500 Q N 3.244 123.214 119.800 0.283 0.000 2.224 500 Q HA -0.102 4.239 4.340 -0.000 0.000 0.203 500 Q C 1.167 177.189 176.000 0.037 0.000 0.970 500 Q CA 1.362 57.155 55.803 -0.017 0.000 0.865 500 Q CB -0.212 28.427 28.738 -0.165 0.000 0.922 500 Q HN 0.993 nan 8.270 nan 0.000 0.445 501 Y N 1.124 121.440 120.300 0.026 0.000 2.070 501 Y HA -0.262 4.288 4.550 0.000 0.000 0.279 501 Y C 2.248 178.162 175.900 0.023 0.000 1.134 501 Y CA 1.655 59.770 58.100 0.026 0.000 1.113 501 Y CB -0.671 37.818 38.460 0.047 0.000 0.981 501 Y HN 0.046 nan 8.280 nan 0.000 0.487 502 A N 0.284 123.023 122.820 -0.136 0.000 1.940 502 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 502 A C 2.235 179.727 177.584 -0.153 0.000 1.176 502 A CA 1.816 53.725 52.037 -0.213 0.000 0.631 502 A CB -1.319 17.686 19.000 0.008 0.000 0.814 502 A HN 0.605 nan 8.150 nan 0.000 0.446 503 L N 0.049 121.234 121.223 -0.063 0.000 2.046 503 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 503 L C 2.363 179.177 176.870 -0.094 0.000 1.077 503 L CA 2.346 57.154 54.840 -0.054 0.000 0.747 503 L CB -1.037 41.009 42.059 -0.022 0.000 0.896 503 L HN 0.287 nan 8.230 nan 0.000 0.432 504 G N -0.237 108.485 108.800 -0.130 0.000 2.421 504 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 504 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 504 G C 1.636 176.474 174.900 -0.103 0.000 1.171 504 G CA 1.093 46.128 45.100 -0.108 0.000 0.775 504 G HN 0.467 nan 8.290 nan 0.000 0.543 505 I N 0.495 120.932 120.570 -0.222 0.000 2.208 505 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 505 I C 2.655 178.691 176.117 -0.135 0.000 1.097 505 I CA 0.991 62.138 61.300 -0.256 0.000 1.363 505 I CB -0.180 37.522 38.000 -0.497 0.000 1.051 505 I HN 0.171 nan 8.210 nan 0.000 0.413 506 I N -0.016 120.499 120.570 -0.092 0.000 2.333 506 I HA -0.242 3.928 4.170 -0.000 0.000 0.246 506 I C 2.514 178.692 176.117 0.100 0.000 1.106 506 I CA 1.089 62.406 61.300 0.029 0.000 1.411 506 I CB -0.368 37.639 38.000 0.012 0.000 1.082 506 I HN 0.270 nan 8.210 nan 0.000 0.420 507 Q N 0.701 120.527 119.800 0.043 0.000 2.234 507 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 507 Q C 2.082 178.128 176.000 0.077 0.000 0.980 507 Q CA 1.517 57.351 55.803 0.052 0.000 0.869 507 Q CB -0.225 28.523 28.738 0.016 0.000 0.912 507 Q HN 0.541 nan 8.270 nan 0.000 0.436 508 A N 0.661 123.536 122.820 0.093 0.000 2.255 508 A HA -0.103 4.217 4.320 -0.000 0.000 0.206 508 A C 0.305 177.958 177.584 0.116 0.000 1.193 508 A CA 0.114 52.237 52.037 0.144 0.000 0.794 508 A CB -0.248 18.847 19.000 0.160 0.000 0.794 508 A HN 0.425 nan 8.150 nan 0.000 0.481 509 Q N -0.942 118.898 119.800 0.067 0.000 2.395 509 Q HA -0.164 4.176 4.340 -0.000 0.000 0.326 509 Q C -2.016 174.025 176.000 0.070 0.000 1.302 509 Q CA 0.465 56.232 55.803 -0.061 0.000 0.949 509 Q CB -1.770 26.801 28.738 -0.279 0.000 1.204 509 Q HN 0.631 nan 8.270 nan 0.000 0.444 510 P HA -0.088 nan 4.420 nan 0.000 0.272 510 P C 0.132 177.575 177.300 0.239 0.000 1.254 510 P CA 0.546 63.755 63.100 0.183 0.000 0.795 510 P CB 0.609 32.406 31.700 0.161 0.000 1.022 511 D N -0.831 119.699 120.400 0.218 0.000 2.272 511 D HA 0.026 4.666 4.640 -0.000 0.000 0.308 511 D C 0.183 176.579 176.300 0.160 0.000 1.104 511 D CA 0.298 54.442 54.000 0.241 0.000 0.939 511 D CB 0.268 41.263 40.800 0.325 0.000 1.733 511 D HN 0.192 nan 8.370 nan 0.000 0.517 512 K N 1.656 122.140 120.400 0.139 0.000 3.084 512 K HA 0.311 4.631 4.320 -0.000 0.000 0.172 512 K C -0.336 176.319 176.600 0.092 0.000 1.078 512 K CA -0.279 56.063 56.287 0.090 0.000 0.875 512 K CB 1.623 34.164 32.500 0.069 0.000 1.064 512 K HN -0.008 nan 8.250 nan 0.000 0.597 513 S N 1.025 116.798 115.700 0.122 0.000 2.580 513 S HA 0.032 4.502 4.470 -0.000 0.000 0.261 513 S C 0.812 175.460 174.600 0.080 0.000 1.366 513 S CA 0.602 58.889 58.200 0.146 0.000 0.996 513 S CB 0.481 63.830 63.200 0.249 0.000 0.902 513 S HN 0.596 nan 8.310 nan 0.000 0.566 514 E N 0.535 120.768 120.200 0.055 0.000 2.462 514 E HA 0.467 4.817 4.350 -0.000 0.000 0.255 514 E C -0.121 176.502 176.600 0.037 0.000 1.311 514 E CA -0.091 56.321 56.400 0.020 0.000 1.629 514 E CB 0.195 29.886 29.700 -0.016 0.000 1.510 514 E HN 0.533 nan 8.360 nan 0.000 0.438 515 S N -0.661 115.079 115.700 0.067 0.000 2.584 515 S HA 0.184 4.654 4.470 -0.000 0.000 0.282 515 S C 0.210 174.834 174.600 0.040 0.000 1.138 515 S CA -0.136 58.107 58.200 0.072 0.000 0.987 515 S CB 1.388 64.680 63.200 0.153 0.000 1.137 515 S HN 0.451 nan 8.310 nan 0.000 0.457 516 E N 3.022 123.223 120.200 0.001 0.000 2.274 516 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 516 E C 1.575 178.127 176.600 -0.080 0.000 0.996 516 E CA 0.674 57.054 56.400 -0.034 0.000 0.840 516 E CB 0.089 29.762 29.700 -0.045 0.000 0.772 516 E HN 0.666 nan 8.360 nan 0.000 0.491 517 L N 0.226 121.404 121.223 -0.075 0.000 1.976 517 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 517 L C 2.217 179.018 176.870 -0.115 0.000 1.071 517 L CA 1.474 56.229 54.840 -0.142 0.000 0.746 517 L CB -0.560 41.454 42.059 -0.074 0.000 0.890 517 L HN -0.002 nan 8.230 nan 0.000 0.432 518 V N 0.443 120.339 119.914 -0.030 0.000 2.568 518 V HA -0.267 3.853 4.120 -0.000 0.000 0.253 518 V C 2.293 178.373 176.094 -0.022 0.000 1.072 518 V CA 1.773 64.056 62.300 -0.028 0.000 1.084 518 V CB -1.026 30.787 31.823 -0.018 0.000 0.676 518 V HN 0.530 nan 8.190 nan 0.000 0.469 519 N N -0.211 118.478 118.700 -0.018 0.000 2.300 519 N HA -0.143 4.597 4.740 -0.000 0.000 0.179 519 N C 1.965 177.449 175.510 -0.043 0.000 1.016 519 N CA 1.019 54.059 53.050 -0.017 0.000 0.876 519 N CB 0.022 38.501 38.487 -0.013 0.000 0.979 519 N HN 0.542 nan 8.380 nan 0.000 0.432 520 Q N 0.794 120.538 119.800 -0.095 0.000 2.079 520 Q HA 0.096 4.436 4.340 -0.000 0.000 0.200 520 Q C 2.075 178.114 176.000 0.065 0.000 0.974 520 Q CA 0.854 56.595 55.803 -0.104 0.000 0.840 520 Q CB 0.111 28.581 28.738 -0.447 0.000 0.898 520 Q HN 0.315 nan 8.270 nan 0.000 0.430 521 I N -0.186 120.403 120.570 0.031 0.000 2.202 521 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 521 I C 1.955 178.050 176.117 -0.036 0.000 1.091 521 I CA 0.985 62.350 61.300 0.108 0.000 1.368 521 I CB -0.170 37.855 38.000 0.043 0.000 1.058 521 I HN 0.256 nan 8.210 nan 0.000 0.410 522 I N 0.620 121.149 120.570 -0.069 0.000 2.208 522 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 522 I C 2.590 178.623 176.117 -0.141 0.000 1.097 522 I CA 1.568 62.787 61.300 -0.134 0.000 1.363 522 I CB -0.327 37.666 38.000 -0.012 0.000 1.051 522 I HN 0.296 nan 8.210 nan 0.000 0.413 523 E N 0.243 120.400 120.200 -0.072 0.000 2.204 523 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 523 E C 2.124 178.682 176.600 -0.069 0.000 0.990 523 E CA 0.985 57.343 56.400 -0.069 0.000 0.821 523 E CB 0.208 29.887 29.700 -0.035 0.000 0.750 523 E HN 0.462 nan 8.360 nan 0.000 0.477 524 Q N 0.262 120.027 119.800 -0.058 0.000 2.008 524 Q HA -0.086 4.254 4.340 -0.000 0.000 0.196 524 Q C 2.561 178.479 176.000 -0.138 0.000 0.973 524 Q CA 0.805 56.559 55.803 -0.082 0.000 0.826 524 Q CB -0.450 28.241 28.738 -0.078 0.000 0.894 524 Q HN 0.372 nan 8.270 nan 0.000 0.439 525 L N 0.633 121.721 121.223 -0.226 0.000 1.997 525 L HA -0.254 4.086 4.340 -0.000 0.000 0.216 525 L C 2.519 179.275 176.870 -0.190 0.000 1.074 525 L CA 1.288 55.941 54.840 -0.312 0.000 0.763 525 L CB -0.702 40.909 42.059 -0.746 0.000 0.890 525 L HN 0.193 nan 8.230 nan 0.000 0.434 526 I N -0.339 120.132 120.570 -0.164 0.000 2.315 526 I HA -0.329 3.841 4.170 -0.000 0.000 0.251 526 I C 2.582 178.706 176.117 0.011 0.000 1.125 526 I CA 1.431 62.738 61.300 0.011 0.000 1.392 526 I CB -0.263 37.735 38.000 -0.004 0.000 1.065 526 I HN 0.237 nan 8.210 nan 0.000 0.424 527 K N 0.591 120.968 120.400 -0.037 0.000 2.296 527 K HA -0.037 4.283 4.320 -0.000 0.000 0.200 527 K C 0.612 177.201 176.600 -0.018 0.000 1.048 527 K CA 0.498 56.769 56.287 -0.027 0.000 0.966 527 K CB 0.331 32.804 32.500 -0.045 0.000 0.754 527 K HN -0.005 nan 8.250 nan 0.000 0.466 528 K N 0.710 121.093 120.400 -0.027 0.000 2.168 528 K HA -0.021 4.299 4.320 -0.000 0.000 0.258 528 K C 0.678 177.289 176.600 0.018 0.000 1.010 528 K CA 0.284 56.560 56.287 -0.018 0.000 0.929 528 K CB 1.284 33.760 32.500 -0.039 0.000 0.998 528 K HN 0.133 nan 8.250 nan 0.000 0.479 529 E N 1.172 121.383 120.200 0.018 0.000 2.057 529 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 529 E C -0.455 176.172 176.600 0.045 0.000 0.969 529 E CA 0.889 57.309 56.400 0.034 0.000 0.812 529 E CB 0.495 30.210 29.700 0.024 0.000 0.777 529 E HN 0.291 nan 8.360 nan 0.000 0.455 530 K N 0.628 121.051 120.400 0.038 0.000 2.535 530 K HA 0.399 4.719 4.320 -0.000 0.000 0.250 530 K C -1.701 174.934 176.600 0.058 0.000 0.948 530 K CA -0.553 55.767 56.287 0.054 0.000 0.796 530 K CB 2.848 35.375 32.500 0.046 0.000 1.216 530 K HN -0.104 nan 8.250 nan 0.000 0.432 531 V N 3.044 123.008 119.914 0.084 0.000 2.656 531 V HA 0.423 4.543 4.120 -0.000 0.000 0.307 531 V C -1.421 174.769 176.094 0.159 0.000 1.051 531 V CA -0.940 61.408 62.300 0.080 0.000 0.893 531 V CB 1.665 33.508 31.823 0.033 0.000 0.999 531 V HN 0.733 nan 8.190 nan 0.000 0.426 532 Y N 4.799 125.103 120.300 0.006 0.000 2.354 532 Y HA 0.704 5.254 4.550 0.000 0.000 0.330 532 Y C -1.354 174.549 175.900 0.005 0.000 1.011 532 Y CA -0.732 57.376 58.100 0.014 0.000 1.099 532 Y CB 1.495 39.960 38.460 0.009 0.000 1.179 532 Y HN 0.584 nan 8.280 nan 0.000 0.442 533 L N 5.957 126.867 121.223 -0.522 0.000 2.317 533 L HA 0.932 5.272 4.340 -0.000 0.000 0.281 533 L C -0.541 175.935 176.870 -0.656 0.000 1.024 533 L CA -0.808 53.767 54.840 -0.443 0.000 0.810 533 L CB 1.518 43.461 42.059 -0.193 0.000 1.240 533 L HN 0.873 nan 8.230 nan 0.000 0.427 534 A N 3.098 125.677 122.820 -0.402 0.000 2.475 534 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 534 A C -2.167 175.415 177.584 -0.003 0.000 1.059 534 A CA -0.440 51.458 52.037 -0.231 0.000 0.710 534 A CB 1.400 20.290 19.000 -0.183 0.000 1.288 534 A HN 0.751 nan 8.150 nan 0.000 0.408 535 W N 2.162 123.401 121.300 -0.102 0.000 2.702 535 W HA 0.621 5.281 4.660 -0.000 0.000 0.331 535 W C -1.131 175.377 176.519 -0.019 0.000 1.049 535 W CA -0.565 56.746 57.345 -0.055 0.000 1.230 535 W CB 1.939 31.369 29.460 -0.050 0.000 1.408 535 W HN 0.985 nan 8.180 nan 0.000 0.492 536 V N 3.386 122.696 119.914 -1.006 0.000 2.925 536 V HA 0.661 4.781 4.120 -0.000 0.000 0.311 536 V C -2.697 172.551 176.094 -1.411 0.000 1.104 536 V CA -3.150 58.533 62.300 -1.027 0.000 0.954 536 V CB 1.572 33.147 31.823 -0.414 0.000 1.022 536 V HN 0.517 nan 8.190 nan 0.000 0.427 537 P HA 0.071 nan 4.420 nan 0.000 0.255 537 P C 1.009 178.115 177.300 -0.324 0.000 1.161 537 P CA 1.297 64.053 63.100 -0.572 0.000 0.768 537 P CB 0.542 32.092 31.700 -0.251 0.000 0.746 538 A N 5.157 127.857 122.820 -0.199 0.000 2.067 538 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 538 A C 1.541 178.970 177.584 -0.258 0.000 1.395 538 A CA 1.680 53.601 52.037 -0.193 0.000 0.821 538 A CB -1.597 17.359 19.000 -0.073 0.000 0.822 538 A HN 0.632 nan 8.150 nan 0.000 0.502 539 H N -0.418 118.649 119.070 -0.005 0.000 2.555 539 H HA 0.167 4.723 4.556 0.000 0.000 0.283 539 H C 0.169 175.489 175.328 -0.013 0.000 1.037 539 H CA 0.503 56.549 56.048 -0.004 0.000 1.169 539 H CB -0.136 29.632 29.762 0.010 0.000 1.375 539 H HN 0.433 nan 8.280 nan 0.000 0.582 540 K N 1.231 121.651 120.400 0.034 0.000 2.231 540 K HA 0.176 4.496 4.320 -0.000 0.000 0.255 540 K C 0.237 176.828 176.600 -0.016 0.000 1.108 540 K CA -0.529 55.766 56.287 0.013 0.000 0.997 540 K CB 0.182 32.678 32.500 -0.006 0.000 1.549 540 K HN 0.219 nan 8.250 nan 0.000 0.419 541 G N 5.268 114.067 108.800 -0.001 0.000 2.904 541 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.316 541 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.316 541 G C 0.090 174.970 174.900 -0.034 0.000 0.294 541 G CA 0.442 45.533 45.100 -0.016 0.000 1.212 541 G HN 0.599 nan 8.290 nan 0.000 0.207 542 I N 1.248 121.789 120.570 -0.048 0.000 3.775 542 I HA 0.460 4.630 4.170 -0.000 0.000 0.272 542 I C 2.035 178.108 176.117 -0.073 0.000 1.292 542 I CA -0.594 60.675 61.300 -0.053 0.000 1.050 542 I CB 0.995 38.966 38.000 -0.048 0.000 1.422 542 I HN 0.392 nan 8.210 nan 0.000 0.561 543 G N 0.068 108.801 108.800 -0.111 0.000 2.421 543 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 543 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 543 G C 1.411 176.171 174.900 -0.233 0.000 1.171 543 G CA 0.936 45.899 45.100 -0.229 0.000 0.775 543 G HN 0.813 nan 8.290 nan 0.000 0.543 544 G N 0.905 109.626 108.800 -0.132 0.000 2.408 544 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 544 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 544 G C 1.639 176.547 174.900 0.014 0.000 1.150 544 G CA 0.925 46.059 45.100 0.057 0.000 0.776 544 G HN 0.407 nan 8.290 nan 0.000 0.542 545 N N 0.270 118.958 118.700 -0.020 0.000 2.459 545 N HA -0.016 4.724 4.740 -0.000 0.000 0.181 545 N C 1.798 177.291 175.510 -0.028 0.000 1.046 545 N CA 0.855 53.881 53.050 -0.040 0.000 0.904 545 N CB 0.153 38.601 38.487 -0.065 0.000 0.964 545 N HN 0.595 nan 8.380 nan 0.000 0.444 546 E N -0.424 119.752 120.200 -0.040 0.000 2.244 546 E HA 0.046 4.396 4.350 -0.000 0.000 0.196 546 E C 1.579 178.158 176.600 -0.035 0.000 0.939 546 E CA 0.176 56.555 56.400 -0.034 0.000 0.884 546 E CB 0.371 30.044 29.700 -0.045 0.000 0.850 546 E HN 0.005 nan 8.360 nan 0.000 0.481 547 Q N 0.171 119.940 119.800 -0.053 0.000 2.084 547 Q HA -0.006 4.334 4.340 -0.000 0.000 0.194 547 Q C 2.153 178.145 176.000 -0.013 0.000 0.969 547 Q CA 1.247 57.023 55.803 -0.045 0.000 0.829 547 Q CB 0.212 28.901 28.738 -0.082 0.000 0.904 547 Q HN 0.232 nan 8.270 nan 0.000 0.464 548 V N 1.273 121.192 119.914 0.007 0.000 3.141 548 V HA -0.115 4.005 4.120 -0.000 0.000 0.265 548 V C 0.477 176.588 176.094 0.028 0.000 1.126 548 V CA 1.481 63.806 62.300 0.042 0.000 1.141 548 V CB -0.354 31.529 31.823 0.100 0.000 0.743 548 V HN 0.124 nan 8.190 nan 0.000 0.492 549 D N -0.847 119.561 120.400 0.012 0.000 2.395 549 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 549 D C 1.829 178.141 176.300 0.019 0.000 1.110 549 D CA 0.162 54.170 54.000 0.013 0.000 0.835 549 D CB 0.325 41.125 40.800 -0.001 0.000 0.965 549 D HN 0.174 nan 8.370 nan 0.000 0.505 550 K N -0.146 120.260 120.400 0.011 0.000 2.399 550 K HA 0.267 4.587 4.320 -0.000 0.000 0.196 550 K C 1.644 178.248 176.600 0.007 0.000 1.103 550 K CA 0.056 56.349 56.287 0.009 0.000 0.986 550 K CB 0.684 33.185 32.500 0.001 0.000 0.952 550 K HN 0.177 nan 8.250 nan 0.000 0.541 551 L N 1.010 122.235 121.223 0.004 0.000 2.465 551 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 551 L C 1.541 178.412 176.870 0.003 0.000 1.145 551 L CA 0.379 55.219 54.840 -0.000 0.000 0.834 551 L CB -0.141 41.914 42.059 -0.005 0.000 0.944 551 L HN -0.223 nan 8.230 nan 0.000 0.451 552 V N -1.290 118.631 119.914 0.010 0.000 3.636 552 V HA -0.028 4.092 4.120 -0.000 0.000 0.279 552 V C 1.658 177.761 176.094 0.016 0.000 1.263 552 V CA 0.799 63.108 62.300 0.015 0.000 1.182 552 V CB -0.217 31.620 31.823 0.024 0.000 0.955 552 V HN 0.313 nan 8.190 nan 0.000 0.443 553 S N 0.942 116.649 115.700 0.012 0.000 2.575 553 S HA 0.214 4.684 4.470 -0.000 0.000 0.215 553 S C 1.762 176.366 174.600 0.007 0.000 0.966 553 S CA 0.535 58.742 58.200 0.011 0.000 0.911 553 S CB 0.235 63.441 63.200 0.009 0.000 0.780 553 S HN 0.594 nan 8.310 nan 0.000 0.514 554 A N 1.270 124.093 122.820 0.005 0.000 2.324 554 A HA 0.607 4.927 4.320 -0.000 0.000 0.240 554 A C 1.183 178.770 177.584 0.004 0.000 1.347 554 A CA 0.449 52.487 52.037 0.003 0.000 1.036 554 A CB -0.638 18.362 19.000 -0.000 0.000 0.917 554 A HN 0.515 nan 8.150 nan 0.000 0.519 555 G N -0.744 108.059 108.800 0.006 0.000 3.504 555 G HA2 0.417 4.377 3.960 -0.000 0.000 0.162 555 G HA3 0.417 4.377 3.960 -0.000 0.000 0.162 555 G C -0.604 174.301 174.900 0.007 0.000 1.311 555 G CA -0.320 44.784 45.100 0.007 0.000 1.322 555 G HN 0.153 nan 8.290 nan 0.000 0.738 556 I N 1.905 122.480 120.570 0.010 0.000 2.440 556 I HA 0.743 4.913 4.170 -0.000 0.000 0.294 556 I C 0.907 177.031 176.117 0.011 0.000 0.995 556 I CA -0.109 61.196 61.300 0.009 0.000 1.306 556 I CB 1.366 39.373 38.000 0.010 0.000 1.407 556 I HN 0.772 nan 8.210 nan 0.000 0.501 557 R N 3.519 124.024 120.500 0.009 0.000 3.121 557 R HA 0.977 5.317 4.340 -0.000 0.000 0.242 557 R C -0.563 175.741 176.300 0.006 0.000 1.402 557 R CA -0.751 55.355 56.100 0.009 0.000 1.042 557 R CB 1.129 31.433 30.300 0.007 0.000 1.410 557 R HN 0.633 nan 8.270 nan 0.000 0.494 558 K N 0.000 120.403 120.400 0.005 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.287 56.287 0.001 0.000 0.838 558 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543