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 1rtd_1_C DATA FIRST_RESID 1 DATA SEQUENCE KISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT DTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DESESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.668 176.600 0.114 0.000 0.988 1 K CA 0.000 56.339 56.287 0.086 0.000 0.838 1 K CB 0.000 32.548 32.500 0.079 0.000 1.064 2 I N 0.752 121.390 120.570 0.113 0.000 2.569 2 I HA 0.258 4.428 4.170 0.000 0.000 0.296 2 I C 0.557 176.755 176.117 0.135 0.000 1.028 2 I CA -0.878 60.502 61.300 0.133 0.000 1.082 2 I CB 1.984 40.060 38.000 0.127 0.000 1.264 2 I HN 0.407 nan 8.210 nan 0.000 0.429 3 S N 5.405 121.199 115.700 0.157 0.000 2.549 3 S HA 0.190 4.660 4.470 0.000 0.000 0.286 3 S C -1.469 173.239 174.600 0.180 0.000 1.314 3 S CA -0.872 57.443 58.200 0.191 0.000 1.062 3 S CB 0.560 63.869 63.200 0.181 0.000 0.865 3 S HN 0.488 nan 8.310 nan 0.000 0.498 4 P HA 0.163 nan 4.420 nan 0.000 0.257 4 P C 0.455 177.876 177.300 0.201 0.000 1.281 4 P CA -0.105 63.083 63.100 0.146 0.000 0.826 4 P CB -0.140 31.597 31.700 0.062 0.000 1.237 5 I N 0.864 121.610 120.570 0.293 0.000 2.752 5 I HA -0.025 4.145 4.170 0.000 0.000 0.287 5 I C 0.473 176.675 176.117 0.142 0.000 1.188 5 I CA -0.190 61.274 61.300 0.273 0.000 1.427 5 I CB 0.647 38.727 38.000 0.132 0.000 1.365 5 I HN -0.092 nan 8.210 nan 0.000 0.585 6 E N 4.391 124.662 120.200 0.119 0.000 2.415 6 E HA 0.076 4.426 4.350 0.000 0.000 0.262 6 E C -0.124 176.510 176.600 0.057 0.000 1.038 6 E CA -0.072 56.374 56.400 0.078 0.000 0.921 6 E CB 0.441 30.181 29.700 0.067 0.000 0.950 6 E HN 0.648 nan 8.360 nan 0.000 0.438 7 T N -1.453 113.133 114.554 0.054 0.000 2.913 7 T HA 0.223 4.573 4.350 0.000 0.000 0.297 7 T C 0.153 174.878 174.700 0.042 0.000 1.029 7 T CA -0.980 61.149 62.100 0.049 0.000 1.104 7 T CB 0.834 69.735 68.868 0.055 0.000 0.964 7 T HN 0.115 nan 8.240 nan 0.000 0.532 8 V N 5.896 125.836 119.914 0.043 0.000 2.427 8 V HA 0.284 4.404 4.120 0.000 0.000 0.268 8 V C -1.643 174.482 176.094 0.051 0.000 1.046 8 V CA -1.670 60.659 62.300 0.047 0.000 0.970 8 V CB 0.540 32.403 31.823 0.067 0.000 1.001 8 V HN 0.851 nan 8.190 nan 0.000 0.476 9 P HA 0.153 nan 4.420 nan 0.000 0.270 9 P C -0.652 176.651 177.300 0.004 0.000 1.242 9 P CA 0.190 63.307 63.100 0.028 0.000 0.768 9 P CB 0.960 32.672 31.700 0.020 0.000 0.820 10 V N 4.632 124.545 119.914 -0.001 0.000 2.630 10 V HA 0.476 4.596 4.120 0.000 0.000 0.305 10 V C 0.541 176.646 176.094 0.018 0.000 1.046 10 V CA -0.517 61.732 62.300 -0.085 0.000 0.934 10 V CB 1.973 33.610 31.823 -0.310 0.000 1.003 10 V HN 0.480 nan 8.190 nan 0.000 0.451 11 K N 2.088 122.494 120.400 0.010 0.000 2.444 11 K HA 0.717 5.037 4.320 0.000 0.000 0.252 11 K C -1.565 175.150 176.600 0.191 0.000 0.993 11 K CA -0.824 55.538 56.287 0.125 0.000 0.847 11 K CB 2.387 34.902 32.500 0.026 0.000 1.340 11 K HN 0.488 nan 8.250 nan 0.000 0.446 12 L N 1.970 123.314 121.223 0.201 0.000 2.344 12 L HA 0.406 4.746 4.340 0.000 0.000 0.272 12 L C -0.010 176.891 176.870 0.052 0.000 1.035 12 L CA -0.806 54.118 54.840 0.140 0.000 0.807 12 L CB 1.523 43.563 42.059 -0.031 0.000 1.237 12 L HN 0.501 nan 8.230 nan 0.000 0.442 13 K N 3.477 123.900 120.400 0.037 0.000 2.511 13 K HA 0.049 4.369 4.320 0.000 0.000 0.280 13 K C -2.120 174.485 176.600 0.008 0.000 1.008 13 K CA -1.194 55.103 56.287 0.017 0.000 1.050 13 K CB 0.165 32.678 32.500 0.022 0.000 0.889 13 K HN 0.293 nan 8.250 nan 0.000 0.484 14 P HA -0.167 nan 4.420 nan 0.000 0.259 14 P C 0.577 177.882 177.300 0.009 0.000 1.163 14 P CA 0.993 64.098 63.100 0.009 0.000 0.760 14 P CB 0.421 32.125 31.700 0.007 0.000 0.762 15 G N 2.480 111.286 108.800 0.010 0.000 2.205 15 G HA2 -0.248 3.712 3.960 0.000 0.000 0.261 15 G HA3 -0.248 3.712 3.960 0.000 0.000 0.261 15 G C 0.146 175.051 174.900 0.008 0.000 0.980 15 G CA 0.036 45.143 45.100 0.012 0.000 0.632 15 G HN 0.510 nan 8.290 nan 0.000 0.533 16 M N 0.698 120.295 119.600 -0.005 0.000 2.363 16 M HA 0.499 4.979 4.480 0.000 0.000 0.343 16 M C -0.322 175.940 176.300 -0.062 0.000 1.165 16 M CA -0.730 54.559 55.300 -0.019 0.000 1.046 16 M CB 1.512 34.101 32.600 -0.019 0.000 1.648 16 M HN 0.121 nan 8.290 nan 0.000 0.452 17 D N 1.027 121.399 120.400 -0.047 0.000 2.387 17 D HA 0.539 5.179 4.640 0.000 0.000 0.255 17 D C -0.049 176.141 176.300 -0.184 0.000 1.081 17 D CA -0.021 53.940 54.000 -0.064 0.000 0.994 17 D CB 1.525 42.377 40.800 0.086 0.000 1.127 17 D HN 0.697 nan 8.370 nan 0.000 0.513 18 G N 0.128 108.720 108.800 -0.347 0.000 2.616 18 G HA2 0.363 4.323 3.960 0.000 0.000 0.268 18 G HA3 0.363 4.323 3.960 0.000 0.000 0.268 18 G C -2.253 172.679 174.900 0.053 0.000 1.213 18 G CA -0.890 43.902 45.100 -0.513 0.000 0.926 18 G HN 0.436 nan 8.290 nan 0.000 0.523 19 P HA 0.212 nan 4.420 nan 0.000 0.271 19 P C -0.759 176.733 177.300 0.320 0.000 1.216 19 P CA 0.011 63.242 63.100 0.219 0.000 0.771 19 P CB 1.157 32.984 31.700 0.212 0.000 0.864 20 K N 1.837 122.363 120.400 0.209 0.000 3.045 20 K HA 0.251 4.571 4.320 0.000 0.000 0.211 20 K C -0.133 176.527 176.600 0.099 0.000 1.141 20 K CA -0.515 55.858 56.287 0.143 0.000 1.036 20 K CB 1.124 33.676 32.500 0.087 0.000 0.851 20 K HN 0.229 nan 8.250 nan 0.000 0.462 21 V N 1.208 121.188 119.914 0.109 0.000 2.546 21 V HA 0.197 4.317 4.120 0.000 0.000 0.284 21 V C -0.051 176.067 176.094 0.040 0.000 1.050 21 V CA -0.495 61.852 62.300 0.078 0.000 0.981 21 V CB 1.135 33.013 31.823 0.091 0.000 0.990 21 V HN 0.290 nan 8.190 nan 0.000 0.474 22 K N 4.654 125.072 120.400 0.031 0.000 2.258 22 K HA 0.198 4.518 4.320 0.000 0.000 0.264 22 K C -0.079 176.492 176.600 -0.048 0.000 1.007 22 K CA -0.415 55.876 56.287 0.007 0.000 0.941 22 K CB 0.574 33.092 32.500 0.031 0.000 0.966 22 K HN 0.758 nan 8.250 nan 0.000 0.480 23 Q N 3.339 123.092 119.800 -0.078 0.000 2.267 23 Q HA 0.081 4.421 4.340 0.000 0.000 0.255 23 Q C -1.087 174.870 176.000 -0.072 0.000 0.923 23 Q CA -0.278 55.411 55.803 -0.190 0.000 0.925 23 Q CB 0.548 29.205 28.738 -0.136 0.000 1.195 23 Q HN 0.458 nan 8.270 nan 0.000 0.417 24 W N 4.582 125.901 121.300 0.030 0.000 2.251 24 W HA 0.505 5.165 4.660 0.000 0.000 0.329 24 W C -2.248 174.278 176.519 0.011 0.000 1.234 24 W CA -2.736 54.616 57.345 0.011 0.000 1.228 24 W CB -0.829 28.626 29.460 -0.009 0.000 1.135 24 W HN 0.394 nan 8.180 nan 0.000 0.576 25 P HA 0.135 nan 4.420 nan 0.000 0.267 25 P C -0.641 176.795 177.300 0.226 0.000 1.205 25 P CA 0.175 63.387 63.100 0.186 0.000 0.765 25 P CB 1.066 32.832 31.700 0.109 0.000 0.828 26 L N 1.698 123.028 121.223 0.178 0.000 2.299 26 L HA 0.495 4.835 4.340 0.000 0.000 0.268 26 L C 1.048 177.963 176.870 0.075 0.000 1.012 26 L CA -0.870 54.066 54.840 0.160 0.000 0.816 26 L CB 0.579 42.737 42.059 0.165 0.000 1.355 26 L HN 0.225 nan 8.230 nan 0.000 0.457 27 T N -0.796 113.789 114.554 0.052 0.000 2.913 27 T HA 0.008 4.358 4.350 0.000 0.000 0.297 27 T C 0.970 175.666 174.700 -0.007 0.000 1.029 27 T CA -0.341 61.771 62.100 0.021 0.000 1.104 27 T CB 1.295 70.175 68.868 0.021 0.000 0.964 27 T HN 0.633 nan 8.240 nan 0.000 0.532 28 E N 1.319 121.515 120.200 -0.007 0.000 2.150 28 E HA -0.180 4.170 4.350 0.000 0.000 0.193 28 E C 1.882 178.454 176.600 -0.046 0.000 0.985 28 E CA 1.011 57.400 56.400 -0.019 0.000 0.814 28 E CB 0.122 29.819 29.700 -0.006 0.000 0.752 28 E HN 0.815 nan 8.360 nan 0.000 0.466 29 E N 0.797 120.971 120.200 -0.044 0.000 2.031 29 E HA -0.213 4.138 4.350 0.000 0.000 0.193 29 E C 1.973 178.434 176.600 -0.232 0.000 0.994 29 E CA 1.213 57.573 56.400 -0.066 0.000 0.800 29 E CB 0.099 29.808 29.700 0.015 0.000 0.752 29 E HN 0.140 nan 8.360 nan 0.000 0.447 30 K N 0.212 120.435 120.400 -0.295 0.000 2.026 30 K HA -0.125 4.195 4.320 0.000 0.000 0.208 30 K C 2.311 178.709 176.600 -0.338 0.000 1.048 30 K CA 1.532 57.524 56.287 -0.492 0.000 0.929 30 K CB -0.206 32.127 32.500 -0.277 0.000 0.713 30 K HN 0.218 nan 8.250 nan 0.000 0.439 31 I N 1.150 121.621 120.570 -0.164 0.000 2.226 31 I HA -0.291 3.879 4.170 0.000 0.000 0.245 31 I C 2.408 178.458 176.117 -0.111 0.000 1.100 31 I CA 1.222 62.464 61.300 -0.097 0.000 1.374 31 I CB -0.138 37.838 38.000 -0.041 0.000 1.057 31 I HN 0.060 nan 8.210 nan 0.000 0.413 32 K N 0.999 121.328 120.400 -0.120 0.000 2.097 32 K HA -0.076 4.244 4.320 0.000 0.000 0.206 32 K C 1.987 178.508 176.600 -0.131 0.000 1.049 32 K CA 1.417 57.647 56.287 -0.095 0.000 0.933 32 K CB -0.174 32.285 32.500 -0.068 0.000 0.717 32 K HN 0.317 nan 8.250 nan 0.000 0.442 33 A N -0.444 122.223 122.820 -0.256 0.000 2.167 33 A HA 0.025 4.345 4.320 0.000 0.000 0.214 33 A C 1.690 179.084 177.584 -0.317 0.000 1.151 33 A CA 0.674 52.494 52.037 -0.362 0.000 0.735 33 A CB -0.116 18.360 19.000 -0.872 0.000 0.802 33 A HN 0.257 nan 8.150 nan 0.000 0.467 34 L N -1.013 120.062 121.223 -0.248 0.000 2.513 34 L HA 0.128 4.468 4.340 0.000 0.000 0.222 34 L C 2.065 178.897 176.870 -0.063 0.000 1.096 34 L CA 0.939 55.692 54.840 -0.144 0.000 0.857 34 L CB 0.248 42.242 42.059 -0.108 0.000 1.026 34 L HN 0.141 nan 8.230 nan 0.000 0.469 35 V N -0.801 119.082 119.914 -0.052 0.000 2.453 35 V HA -0.193 3.927 4.120 0.000 0.000 0.247 35 V C 2.220 178.300 176.094 -0.024 0.000 1.048 35 V CA 1.435 63.730 62.300 -0.008 0.000 1.049 35 V CB -0.476 31.346 31.823 -0.003 0.000 0.672 35 V HN 0.437 nan 8.190 nan 0.000 0.457 36 E N 0.327 120.503 120.200 -0.040 0.000 2.077 36 E HA -0.181 4.169 4.350 0.000 0.000 0.193 36 E C 2.206 178.774 176.600 -0.054 0.000 0.989 36 E CA 1.370 57.750 56.400 -0.034 0.000 0.800 36 E CB -0.141 29.548 29.700 -0.017 0.000 0.746 36 E HN 0.450 nan 8.360 nan 0.000 0.452 37 I N 0.734 121.260 120.570 -0.073 0.000 2.315 37 I HA -0.230 3.940 4.170 0.000 0.000 0.248 37 I C 2.302 178.320 176.117 -0.166 0.000 1.117 37 I CA 0.946 62.175 61.300 -0.117 0.000 1.404 37 I CB -1.339 36.584 38.000 -0.128 0.000 1.071 37 I HN 0.230 nan 8.210 nan 0.000 0.419 38 C N 0.621 119.830 119.300 -0.153 0.000 2.468 38 C HA -0.028 4.432 4.460 0.000 0.000 0.277 38 C C 2.888 177.715 174.990 -0.272 0.000 1.400 38 C CA 0.869 59.728 59.018 -0.266 0.000 1.770 38 C CB -0.953 26.647 27.740 -0.234 0.000 1.905 38 C HN 0.527 nan 8.230 nan 0.000 0.519 39 T N 0.064 114.545 114.554 -0.121 0.000 2.894 39 T HA -0.126 4.224 4.350 0.000 0.000 0.258 39 T C 1.763 176.419 174.700 -0.074 0.000 1.043 39 T CA 0.999 63.062 62.100 -0.061 0.000 1.141 39 T CB -0.196 68.662 68.868 -0.016 0.000 0.873 39 T HN 0.626 nan 8.240 nan 0.000 0.449 40 E N 0.823 120.973 120.200 -0.083 0.000 2.077 40 E HA -0.101 4.249 4.350 0.000 0.000 0.193 40 E C 2.078 178.627 176.600 -0.084 0.000 0.989 40 E CA 1.020 57.378 56.400 -0.071 0.000 0.800 40 E CB -0.103 29.552 29.700 -0.074 0.000 0.746 40 E HN 0.462 nan 8.360 nan 0.000 0.452 41 M N -0.035 119.483 119.600 -0.136 0.000 2.288 41 M HA -0.085 4.395 4.480 0.000 0.000 0.266 41 M C 2.160 178.395 176.300 -0.108 0.000 1.072 41 M CA 0.959 56.181 55.300 -0.129 0.000 1.132 41 M CB 0.016 32.498 32.600 -0.197 0.000 1.386 41 M HN -0.008 nan 8.290 nan 0.000 0.432 42 E N 1.973 122.086 120.200 -0.144 0.000 2.072 42 E HA -0.197 4.153 4.350 0.000 0.000 0.191 42 E C 1.763 178.347 176.600 -0.026 0.000 0.985 42 E CA 1.758 58.103 56.400 -0.091 0.000 0.801 42 E CB -0.187 29.472 29.700 -0.069 0.000 0.750 42 E HN 0.539 nan 8.360 nan 0.000 0.452 43 K N -0.002 120.383 120.400 -0.024 0.000 2.288 43 K HA -0.064 4.256 4.320 0.000 0.000 0.201 43 K C 1.451 178.053 176.600 0.002 0.000 1.048 43 K CA 1.449 57.733 56.287 -0.005 0.000 0.956 43 K CB -0.034 32.463 32.500 -0.005 0.000 0.746 43 K HN 0.097 nan 8.250 nan 0.000 0.461 44 E N 0.169 120.368 120.200 -0.002 0.000 2.474 44 E HA 0.083 4.433 4.350 0.000 0.000 0.195 44 E C 0.465 177.085 176.600 0.033 0.000 1.039 44 E CA 0.217 56.628 56.400 0.018 0.000 0.881 44 E CB 0.510 30.222 29.700 0.020 0.000 0.970 44 E HN 0.600 nan 8.360 nan 0.000 0.486 45 G N 2.049 110.863 108.800 0.023 0.000 2.166 45 G HA2 -0.387 3.573 3.960 0.000 0.000 0.260 45 G HA3 -0.387 3.573 3.960 0.000 0.000 0.260 45 G C 0.879 175.814 174.900 0.059 0.000 0.986 45 G CA 0.914 46.036 45.100 0.037 0.000 0.683 45 G HN 0.279 nan 8.290 nan 0.000 0.527 46 K N -0.401 120.037 120.400 0.063 0.000 2.217 46 K HA 0.202 4.522 4.320 0.000 0.000 0.202 46 K C 1.493 178.164 176.600 0.118 0.000 1.051 46 K CA 1.388 57.753 56.287 0.129 0.000 0.952 46 K CB 0.055 32.653 32.500 0.163 0.000 0.736 46 K HN 0.818 nan 8.250 nan 0.000 0.453 47 I N -3.707 116.862 120.570 -0.002 0.000 3.002 47 I HA 0.433 4.603 4.170 0.000 0.000 0.310 47 I C -0.839 175.267 176.117 -0.019 0.000 1.087 47 I CA -1.000 60.259 61.300 -0.068 0.000 1.017 47 I CB 2.448 40.284 38.000 -0.272 0.000 1.226 47 I HN -0.351 nan 8.210 nan 0.000 0.443 48 S N 1.875 117.593 115.700 0.030 0.000 2.538 48 S HA 0.389 4.859 4.470 0.000 0.000 0.288 48 S C -0.733 173.932 174.600 0.110 0.000 1.108 48 S CA -0.725 57.515 58.200 0.067 0.000 0.971 48 S CB 1.763 64.992 63.200 0.049 0.000 1.041 48 S HN 0.623 nan 8.310 nan 0.000 0.483 49 K N 2.924 123.396 120.400 0.119 0.000 2.412 49 K HA 0.321 4.641 4.320 0.000 0.000 0.281 49 K C -0.771 175.804 176.600 -0.042 0.000 1.027 49 K CA -0.023 56.277 56.287 0.021 0.000 0.989 49 K CB 0.043 32.531 32.500 -0.020 0.000 0.935 49 K HN 0.535 nan 8.250 nan 0.000 0.475 50 I N 1.471 121.983 120.570 -0.097 0.000 2.465 50 I HA 0.459 4.629 4.170 0.000 0.000 0.291 50 I C 0.532 176.589 176.117 -0.099 0.000 1.014 50 I CA -0.873 60.380 61.300 -0.077 0.000 1.093 50 I CB 1.996 39.965 38.000 -0.053 0.000 1.267 50 I HN 0.570 nan 8.210 nan 0.000 0.431 51 G N 4.226 112.980 108.800 -0.076 0.000 2.580 51 G HA2 0.358 4.318 3.960 0.000 0.000 0.225 51 G HA3 0.358 4.318 3.960 0.000 0.000 0.225 51 G C -1.447 173.407 174.900 -0.076 0.000 1.521 51 G CA -0.502 44.552 45.100 -0.078 0.000 1.068 51 G HN 0.612 nan 8.290 nan 0.000 0.564 52 P HA 0.038 nan 4.420 nan 0.000 0.245 52 P C 0.845 178.103 177.300 -0.069 0.000 1.212 52 P CA 0.671 63.730 63.100 -0.068 0.000 0.774 52 P CB 0.292 31.957 31.700 -0.058 0.000 0.999 53 E N -0.615 119.549 120.200 -0.061 0.000 2.476 53 E HA -0.004 4.346 4.350 0.000 0.000 0.191 53 E C 0.063 176.622 176.600 -0.069 0.000 1.064 53 E CA 0.048 56.413 56.400 -0.057 0.000 0.866 53 E CB -0.520 29.157 29.700 -0.038 0.000 0.952 53 E HN 0.129 nan 8.360 nan 0.000 0.492 54 N N 2.163 120.811 118.700 -0.086 0.000 2.626 54 N HA 0.144 4.884 4.740 0.000 0.000 0.249 54 N C -1.907 173.479 175.510 -0.206 0.000 1.021 54 N CA -1.445 51.547 53.050 -0.097 0.000 0.886 54 N CB 1.644 40.119 38.487 -0.020 0.000 1.149 54 N HN -0.084 nan 8.380 nan 0.000 0.517 55 P HA 0.002 nan 4.420 nan 0.000 0.242 55 P C -0.437 176.582 177.300 -0.469 0.000 1.197 55 P CA 0.390 63.214 63.100 -0.460 0.000 0.765 55 P CB -0.001 31.397 31.700 -0.503 0.000 0.936 56 Y N 0.856 121.183 120.300 0.045 0.000 2.299 56 Y HA 0.521 5.071 4.550 0.000 0.000 0.326 56 Y C 1.032 176.974 175.900 0.071 0.000 1.164 56 Y CA -0.672 57.475 58.100 0.078 0.000 1.234 56 Y CB 0.333 38.867 38.460 0.124 0.000 1.219 56 Y HN -0.111 nan 8.280 nan 0.000 0.497 57 N N 0.245 119.090 118.700 0.241 0.000 2.367 57 N HA 0.489 5.229 4.740 0.000 0.000 0.278 57 N C -1.818 173.793 175.510 0.169 0.000 1.117 57 N CA -0.506 52.642 53.050 0.163 0.000 0.867 57 N CB 1.979 40.508 38.487 0.069 0.000 1.649 57 N HN 0.641 nan 8.380 nan 0.000 0.479 58 T N 2.076 116.717 114.554 0.144 0.000 2.933 58 T HA 0.558 4.908 4.350 0.000 0.000 0.305 58 T C -2.918 171.729 174.700 -0.089 0.000 1.092 58 T CA -0.985 61.150 62.100 0.058 0.000 1.008 58 T CB 2.405 71.345 68.868 0.120 0.000 1.102 58 T HN 0.332 nan 8.240 nan 0.000 0.469 59 P HA 0.393 nan 4.420 nan 0.000 0.279 59 P C -0.674 176.411 177.300 -0.359 0.000 1.239 59 P CA -0.444 62.340 63.100 -0.527 0.000 0.789 59 P CB 0.897 31.829 31.700 -1.280 0.000 0.933 60 V N 0.717 120.497 119.914 -0.223 0.000 2.919 60 V HA 0.848 4.968 4.120 0.000 0.000 0.316 60 V C -0.193 176.031 176.094 0.218 0.000 1.077 60 V CA -0.753 61.529 62.300 -0.032 0.000 0.977 60 V CB 1.358 33.149 31.823 -0.055 0.000 1.039 60 V HN 0.659 nan 8.190 nan 0.000 0.441 61 F N -0.359 119.595 119.950 0.007 0.000 3.129 61 F HA 1.048 5.575 4.527 0.000 0.000 0.326 61 F C -0.536 175.311 175.800 0.078 0.000 1.202 61 F CA -1.175 56.892 58.000 0.112 0.000 0.929 61 F CB 0.981 40.153 39.000 0.287 0.000 1.473 61 F HN 1.011 nan 8.300 nan 0.000 0.512 62 A N 0.834 123.750 122.820 0.160 0.000 2.517 62 A HA 0.734 5.055 4.320 0.000 0.000 0.297 62 A C -1.931 175.863 177.584 0.350 0.000 1.050 62 A CA -0.479 51.621 52.037 0.104 0.000 0.694 62 A CB 1.238 20.293 19.000 0.093 0.000 1.277 62 A HN 0.949 nan 8.150 nan 0.000 0.400 63 I N 0.946 121.676 120.570 0.267 0.000 2.863 63 I HA 0.438 4.608 4.170 0.000 0.000 0.311 63 I C -0.014 176.213 176.117 0.183 0.000 1.026 63 I CA -0.861 60.596 61.300 0.261 0.000 1.077 63 I CB 1.897 39.980 38.000 0.137 0.000 1.262 63 I HN 0.722 nan 8.210 nan 0.000 0.461 64 K N 3.876 124.244 120.400 -0.054 0.000 2.154 64 K HA 0.336 4.656 4.320 0.000 0.000 0.264 64 K C -0.728 175.748 176.600 -0.207 0.000 1.008 64 K CA -0.609 55.452 56.287 -0.377 0.000 0.937 64 K CB 0.910 33.126 32.500 -0.474 0.000 1.002 64 K HN 0.391 nan 8.250 nan 0.000 0.469 65 K N 1.532 121.794 120.400 -0.230 0.000 2.090 65 K HA 0.124 4.444 4.320 0.000 0.000 0.250 65 K C 1.000 177.524 176.600 -0.128 0.000 1.004 65 K CA -0.624 55.580 56.287 -0.139 0.000 0.919 65 K CB 0.667 33.098 32.500 -0.114 0.000 1.045 65 K HN 0.344 nan 8.250 nan 0.000 0.471 66 K N 1.154 121.499 120.400 -0.091 0.000 2.127 66 K HA -0.190 4.130 4.320 0.000 0.000 0.208 66 K C 0.276 176.832 176.600 -0.074 0.000 1.047 66 K CA 1.816 58.056 56.287 -0.078 0.000 0.927 66 K CB -0.047 32.416 32.500 -0.062 0.000 0.716 66 K HN 0.523 nan 8.250 nan 0.000 0.450 67 D N -0.099 120.258 120.400 -0.073 0.000 2.463 67 D HA 0.142 4.782 4.640 0.000 0.000 0.224 67 D C -0.117 176.129 176.300 -0.090 0.000 1.174 67 D CA -0.055 53.907 54.000 -0.064 0.000 0.829 67 D CB 0.555 41.331 40.800 -0.040 0.000 0.993 67 D HN -0.058 nan 8.370 nan 0.000 0.497 68 S N -0.844 114.776 115.700 -0.134 0.000 3.160 68 S HA -0.329 4.141 4.470 0.000 0.000 0.634 68 S C 1.377 175.864 174.600 -0.189 0.000 2.861 68 S CA 1.279 59.362 58.200 -0.195 0.000 3.097 68 S CB -0.846 62.253 63.200 -0.169 0.000 0.331 68 S HN 0.437 nan 8.310 nan 0.000 1.767 69 T N -0.371 114.059 114.554 -0.208 0.000 12.655 69 T HA -0.254 4.096 4.350 0.000 0.000 0.417 69 T C 0.188 174.787 174.700 -0.169 0.000 1.457 69 T CA 2.136 64.150 62.100 -0.143 0.000 2.398 69 T CB -0.836 67.990 68.868 -0.070 0.000 2.819 69 T HN 0.791 nan 8.240 nan 0.000 0.750 70 K N 0.508 120.801 120.400 -0.179 0.000 2.123 70 K HA 0.522 4.842 4.320 0.000 0.000 0.259 70 K C -0.555 175.908 176.600 -0.228 0.000 0.960 70 K CA -0.640 55.581 56.287 -0.110 0.000 0.872 70 K CB 1.215 33.694 32.500 -0.034 0.000 1.079 70 K HN 0.221 nan 8.250 nan 0.000 0.440 71 W N 1.167 122.447 121.300 -0.033 0.000 2.225 71 W HA 0.425 5.085 4.660 0.000 0.000 0.377 71 W C 0.177 176.662 176.519 -0.056 0.000 1.418 71 W CA -0.406 56.917 57.345 -0.037 0.000 1.562 71 W CB 0.645 30.086 29.460 -0.032 0.000 1.297 71 W HN 0.317 nan 8.180 nan 0.000 0.686 72 R N 1.748 122.381 120.500 0.223 0.000 2.502 72 R HA 0.255 4.595 4.340 0.000 0.000 0.298 72 R C -0.981 175.334 176.300 0.025 0.000 1.018 72 R CA -0.792 55.353 56.100 0.075 0.000 0.899 72 R CB 1.027 31.338 30.300 0.017 0.000 1.181 72 R HN 0.427 nan 8.270 nan 0.000 0.444 73 K N 5.412 125.801 120.400 -0.019 0.000 2.312 73 K HA 0.278 4.598 4.320 0.000 0.000 0.287 73 K C -0.862 175.652 176.600 -0.143 0.000 1.062 73 K CA -0.159 56.071 56.287 -0.094 0.000 0.934 73 K CB 0.558 32.991 32.500 -0.111 0.000 1.027 73 K HN 0.493 nan 8.250 nan 0.000 0.478 74 L N 3.847 124.833 121.223 -0.395 0.000 2.333 74 L HA 0.578 4.918 4.340 0.000 0.000 0.269 74 L C -0.846 175.702 176.870 -0.536 0.000 1.010 74 L CA -1.377 53.126 54.840 -0.562 0.000 0.818 74 L CB 2.110 43.539 42.059 -1.050 0.000 1.306 74 L HN 0.302 nan 8.230 nan 0.000 0.430 75 V N -0.260 119.441 119.914 -0.355 0.000 2.577 75 V HA 0.203 4.323 4.120 0.000 0.000 0.303 75 V C -0.818 175.162 176.094 -0.190 0.000 1.042 75 V CA -0.591 61.466 62.300 -0.405 0.000 0.872 75 V CB 1.896 33.171 31.823 -0.913 0.000 0.998 75 V HN 0.641 nan 8.190 nan 0.000 0.423 76 D N 3.171 123.586 120.400 0.025 0.000 2.558 76 D HA 0.264 4.904 4.640 0.000 0.000 0.221 76 D C 0.276 176.647 176.300 0.119 0.000 1.143 76 D CA -0.179 53.948 54.000 0.213 0.000 1.010 76 D CB 0.005 41.013 40.800 0.347 0.000 1.068 76 D HN 0.370 nan 8.370 nan 0.000 0.511 77 F N 1.257 121.335 119.950 0.214 0.000 2.725 77 F HA 0.220 4.747 4.527 0.000 0.000 0.303 77 F C 2.003 177.925 175.800 0.203 0.000 1.167 77 F CA -0.108 58.020 58.000 0.213 0.000 1.403 77 F CB -0.149 39.020 39.000 0.283 0.000 1.077 77 F HN 0.238 nan 8.300 nan 0.000 0.537 78 R N -0.051 120.648 120.500 0.332 0.000 2.170 78 R HA -0.230 4.110 4.340 0.000 0.000 0.242 78 R C 2.004 178.431 176.300 0.212 0.000 1.145 78 R CA 1.474 57.716 56.100 0.237 0.000 0.984 78 R CB -0.082 30.332 30.300 0.191 0.000 0.869 78 R HN 0.215 nan 8.270 nan 0.000 0.455 79 E N 0.592 120.934 120.200 0.237 0.000 2.042 79 E HA -0.103 4.247 4.350 0.000 0.000 0.189 79 E C 1.651 178.372 176.600 0.201 0.000 0.974 79 E CA 0.622 57.140 56.400 0.197 0.000 0.806 79 E CB -0.195 29.619 29.700 0.189 0.000 0.769 79 E HN 0.107 nan 8.360 nan 0.000 0.451 80 L N 1.181 122.569 121.223 0.274 0.000 2.093 80 L HA -0.077 4.263 4.340 0.000 0.000 0.208 80 L C 1.462 178.491 176.870 0.264 0.000 1.085 80 L CA 1.696 56.668 54.840 0.221 0.000 0.755 80 L CB -0.900 41.263 42.059 0.173 0.000 0.904 80 L HN 0.101 nan 8.230 nan 0.000 0.435 81 N N 0.212 119.088 118.700 0.295 0.000 2.192 81 N HA -0.215 4.525 4.740 0.000 0.000 0.188 81 N C 1.730 177.331 175.510 0.152 0.000 1.013 81 N CA 1.486 54.663 53.050 0.212 0.000 0.863 81 N CB -0.197 38.385 38.487 0.158 0.000 0.990 81 N HN 0.500 nan 8.380 nan 0.000 0.430 82 K N 0.511 120.995 120.400 0.140 0.000 2.062 82 K HA 0.030 4.350 4.320 0.000 0.000 0.205 82 K C 1.853 178.508 176.600 0.090 0.000 1.051 82 K CA 0.867 57.215 56.287 0.101 0.000 0.941 82 K CB -0.017 32.538 32.500 0.092 0.000 0.719 82 K HN 0.087 nan 8.250 nan 0.000 0.440 83 R N 0.496 121.051 120.500 0.093 0.000 2.299 83 R HA 0.048 4.388 4.340 0.000 0.000 0.197 83 R C 0.318 176.670 176.300 0.088 0.000 0.971 83 R CA 0.430 56.563 56.100 0.055 0.000 1.030 83 R CB 0.173 30.470 30.300 -0.005 0.000 0.932 83 R HN 0.029 nan 8.270 nan 0.000 0.477 84 T N 1.678 116.339 114.554 0.178 0.000 2.913 84 T HA 0.095 4.445 4.350 0.000 0.000 0.287 84 T C -0.016 174.768 174.700 0.140 0.000 1.008 84 T CA -0.710 61.550 62.100 0.267 0.000 1.067 84 T CB 1.317 70.475 68.868 0.482 0.000 0.996 84 T HN 0.223 nan 8.240 nan 0.000 0.513 85 Q N 1.531 121.368 119.800 0.062 0.000 2.432 85 Q HA 0.191 4.531 4.340 0.000 0.000 0.264 85 Q C -0.878 175.037 176.000 -0.141 0.000 1.035 85 Q CA -0.432 55.321 55.803 -0.083 0.000 0.908 85 Q CB 0.231 28.846 28.738 -0.205 0.000 1.280 85 Q HN 0.415 nan 8.270 nan 0.000 0.455 86 D N 0.704 121.033 120.400 -0.118 0.000 2.357 86 D HA 0.298 4.938 4.640 0.000 0.000 0.242 86 D C -0.995 175.167 176.300 -0.231 0.000 1.153 86 D CA 0.163 54.136 54.000 -0.045 0.000 0.918 86 D CB 0.440 41.251 40.800 0.019 0.000 1.181 86 D HN 0.351 nan 8.370 nan 0.000 0.435 87 F N -0.129 119.781 119.950 -0.066 0.000 2.697 87 F HA 0.514 5.041 4.527 0.000 0.000 0.386 87 F C -0.482 175.345 175.800 0.045 0.000 1.154 87 F CA -0.886 57.079 58.000 -0.059 0.000 1.108 87 F CB 1.083 39.971 39.000 -0.187 0.000 1.429 87 F HN 0.210 nan 8.300 nan 0.000 0.509 88 W N 2.119 123.484 121.300 0.107 0.000 2.647 88 W HA 0.311 4.971 4.660 0.000 0.000 0.328 88 W C -1.094 175.442 176.519 0.027 0.000 1.018 88 W CA -0.721 56.643 57.345 0.032 0.000 1.245 88 W CB 1.419 30.875 29.460 -0.006 0.000 1.356 88 W HN 0.383 nan 8.180 nan 0.000 0.443 89 E N 3.582 123.382 120.200 -0.667 0.000 2.328 89 E HA -0.027 4.323 4.350 0.000 0.000 0.265 89 E C 0.711 177.105 176.600 -0.344 0.000 1.057 89 E CA 0.102 56.238 56.400 -0.440 0.000 0.916 89 E CB 2.254 31.702 29.700 -0.421 0.000 0.993 89 E HN 0.397 nan 8.360 nan 0.000 0.446 90 V N 3.459 123.282 119.914 -0.152 0.000 3.306 90 V HA -0.090 4.030 4.120 0.000 0.000 0.264 90 V C 0.633 176.681 176.094 -0.076 0.000 1.149 90 V CA 0.943 63.210 62.300 -0.056 0.000 1.143 90 V CB 0.125 31.934 31.823 -0.023 0.000 0.767 90 V HN 0.452 nan 8.190 nan 0.000 0.476 91 Q N 0.339 120.065 119.800 -0.123 0.000 2.361 91 Q HA 0.230 4.570 4.340 0.000 0.000 0.250 91 Q C 0.317 176.274 176.000 -0.072 0.000 1.023 91 Q CA 0.085 55.823 55.803 -0.109 0.000 0.915 91 Q CB 1.573 30.215 28.738 -0.159 0.000 1.238 91 Q HN 0.407 nan 8.270 nan 0.000 0.451 92 L N 1.522 122.730 121.223 -0.025 0.000 2.567 92 L HA 0.271 4.611 4.340 0.000 0.000 0.225 92 L C 0.945 177.828 176.870 0.021 0.000 1.119 92 L CA 0.467 55.305 54.840 -0.002 0.000 0.871 92 L CB 0.494 42.564 42.059 0.019 0.000 1.036 92 L HN 0.706 nan 8.230 nan 0.000 0.459 93 G N -0.967 107.866 108.800 0.055 0.000 2.313 93 G HA2 0.301 4.261 3.960 0.000 0.000 0.296 93 G HA3 0.301 4.261 3.960 0.000 0.000 0.296 93 G C -1.565 173.447 174.900 0.188 0.000 1.356 93 G CA -0.905 44.249 45.100 0.091 0.000 0.833 93 G HN -0.127 nan 8.290 nan 0.000 0.552 94 I N 1.393 122.049 120.570 0.143 0.000 2.331 94 I HA 0.368 4.538 4.170 0.000 0.000 0.292 94 I C -2.037 174.105 176.117 0.040 0.000 0.998 94 I CA -1.743 59.615 61.300 0.096 0.000 1.267 94 I CB 1.589 39.614 38.000 0.041 0.000 1.386 94 I HN 0.130 nan 8.210 nan 0.000 0.476 95 P HA 0.148 nan 4.420 nan 0.000 0.271 95 P C -0.820 176.445 177.300 -0.058 0.000 1.216 95 P CA -0.012 63.149 63.100 0.102 0.000 0.771 95 P CB 0.406 32.319 31.700 0.355 0.000 0.864 96 H N 4.434 123.397 119.070 -0.178 0.000 2.466 96 H HA 0.169 4.725 4.556 0.000 0.000 0.338 96 H C -1.595 173.460 175.328 -0.454 0.000 1.091 96 H CA -2.165 53.651 56.048 -0.386 0.000 1.207 96 H CB 2.224 31.768 29.762 -0.362 0.000 1.466 96 H HN 0.281 nan 8.280 nan 0.000 0.493 97 P HA -0.115 nan 4.420 nan 0.000 0.221 97 P C 0.925 177.878 177.300 -0.578 0.000 1.145 97 P CA 0.930 63.390 63.100 -1.067 0.000 0.795 97 P CB 0.182 30.672 31.700 -2.017 0.000 0.775 98 A N 0.076 122.746 122.820 -0.251 0.000 2.119 98 A HA 0.131 4.451 4.320 0.000 0.000 0.217 98 A C 2.384 180.332 177.584 0.606 0.000 1.153 98 A CA 1.383 53.737 52.037 0.530 0.000 0.692 98 A CB -1.363 18.184 19.000 0.912 0.000 0.799 98 A HN 0.318 nan 8.150 nan 0.000 0.458 99 G N -0.751 108.145 108.800 0.160 0.000 2.662 99 G HA2 0.290 4.250 3.960 0.000 0.000 0.212 99 G HA3 0.290 4.250 3.960 0.000 0.000 0.212 99 G C 0.603 175.619 174.900 0.195 0.000 1.141 99 G CA -0.271 44.873 45.100 0.073 0.000 0.797 99 G HN 0.384 nan 8.290 nan 0.000 0.531 100 L N 0.843 122.040 121.223 -0.044 0.000 2.456 100 L HA 0.264 4.604 4.340 0.000 0.000 0.272 100 L C 0.053 176.865 176.870 -0.098 0.000 1.189 100 L CA -0.036 54.633 54.840 -0.285 0.000 0.846 100 L CB 0.828 42.402 42.059 -0.808 0.000 1.111 100 L HN 0.023 nan 8.230 nan 0.000 0.475 101 K N 2.240 122.574 120.400 -0.111 0.000 2.123 101 K HA 0.271 4.591 4.320 0.000 0.000 0.259 101 K C -0.606 175.862 176.600 -0.219 0.000 0.960 101 K CA -0.881 55.366 56.287 -0.067 0.000 0.872 101 K CB 1.055 33.550 32.500 -0.008 0.000 1.079 101 K HN 0.358 nan 8.250 nan 0.000 0.440 102 K N 2.782 123.121 120.400 -0.101 0.000 2.361 102 K HA 0.062 4.382 4.320 0.000 0.000 0.283 102 K C -0.362 176.206 176.600 -0.054 0.000 1.078 102 K CA 0.043 56.307 56.287 -0.038 0.000 1.041 102 K CB 0.086 32.652 32.500 0.110 0.000 0.932 102 K HN 0.144 nan 8.250 nan 0.000 0.462 103 K N 3.107 123.455 120.400 -0.087 0.000 2.156 103 K HA 0.128 4.448 4.320 0.000 0.000 0.254 103 K C 0.530 177.097 176.600 -0.056 0.000 0.950 103 K CA -0.600 55.641 56.287 -0.076 0.000 0.849 103 K CB 1.908 34.335 32.500 -0.122 0.000 1.100 103 K HN 0.493 nan 8.250 nan 0.000 0.434 104 K N 0.377 120.742 120.400 -0.057 0.000 2.148 104 K HA 0.008 4.328 4.320 0.000 0.000 0.204 104 K C -0.252 176.280 176.600 -0.112 0.000 1.050 104 K CA 0.930 57.186 56.287 -0.053 0.000 0.942 104 K CB 0.334 32.812 32.500 -0.036 0.000 0.724 104 K HN 0.413 nan 8.250 nan 0.000 0.446 105 S N -0.146 115.421 115.700 -0.222 0.000 2.614 105 S HA 0.386 4.856 4.470 0.000 0.000 0.275 105 S C -1.339 172.887 174.600 -0.624 0.000 1.161 105 S CA -0.919 56.993 58.200 -0.479 0.000 0.969 105 S CB 2.412 65.171 63.200 -0.736 0.000 1.059 105 S HN -0.081 nan 8.310 nan 0.000 0.482 106 V N 2.354 121.952 119.914 -0.526 0.000 2.914 106 V HA 0.886 5.006 4.120 0.000 0.000 0.314 106 V C -0.501 175.369 176.094 -0.373 0.000 1.084 106 V CA -0.766 61.169 62.300 -0.608 0.000 0.963 106 V CB 2.292 33.534 31.823 -0.968 0.000 1.025 106 V HN 1.029 nan 8.190 nan 0.000 0.432 107 T N -0.072 114.277 114.554 -0.341 0.000 3.293 107 T HA 0.516 4.866 4.350 0.000 0.000 0.320 107 T C -0.910 173.698 174.700 -0.153 0.000 0.995 107 T CA -0.604 61.490 62.100 -0.009 0.000 1.041 107 T CB 1.104 70.078 68.868 0.176 0.000 1.058 107 T HN 1.052 nan 8.240 nan 0.000 0.453 108 V N 2.698 122.615 119.914 0.005 0.000 2.370 108 V HA 0.856 4.976 4.120 0.000 0.000 0.279 108 V C -1.080 175.158 176.094 0.239 0.000 1.029 108 V CA -0.673 61.676 62.300 0.083 0.000 0.870 108 V CB 0.318 32.237 31.823 0.160 0.000 0.984 108 V HN 0.768 nan 8.190 nan 0.000 0.451 109 L N 4.855 126.184 121.223 0.177 0.000 2.330 109 L HA 0.718 5.058 4.340 0.000 0.000 0.271 109 L C 0.007 176.995 176.870 0.195 0.000 1.013 109 L CA -0.114 54.826 54.840 0.168 0.000 0.816 109 L CB 1.493 43.612 42.059 0.101 0.000 1.287 109 L HN 0.724 nan 8.230 nan 0.000 0.435 110 D N 0.163 120.664 120.400 0.168 0.000 2.498 110 D HA 0.427 5.067 4.640 0.000 0.000 0.247 110 D C -1.388 174.991 176.300 0.131 0.000 1.070 110 D CA -0.313 53.786 54.000 0.166 0.000 0.842 110 D CB 2.825 43.718 40.800 0.155 0.000 1.361 110 D HN 0.185 nan 8.370 nan 0.000 0.484 111 V N 2.814 122.814 119.914 0.143 0.000 2.364 111 V HA 0.418 4.538 4.120 0.000 0.000 0.272 111 V C 1.199 177.359 176.094 0.109 0.000 1.036 111 V CA -0.613 61.769 62.300 0.137 0.000 0.880 111 V CB 1.104 33.044 31.823 0.194 0.000 0.991 111 V HN 0.596 nan 8.190 nan 0.000 0.460 112 G N 2.638 111.494 108.800 0.093 0.000 2.491 112 G HA2 0.341 4.301 3.960 0.000 0.000 0.242 112 G HA3 0.341 4.301 3.960 0.000 0.000 0.242 112 G C 0.186 175.146 174.900 0.099 0.000 1.266 112 G CA -0.097 45.050 45.100 0.078 0.000 0.844 112 G HN 0.898 nan 8.290 nan 0.000 0.571 113 D N -0.296 120.166 120.400 0.103 0.000 2.686 113 D HA -0.179 4.461 4.640 0.000 0.000 0.235 113 D C 1.672 178.077 176.300 0.174 0.000 1.160 113 D CA 1.059 55.172 54.000 0.188 0.000 0.645 113 D CB -0.865 40.051 40.800 0.192 0.000 1.039 113 D HN 0.699 nan 8.370 nan 0.000 0.423 114 A N 0.083 122.923 122.820 0.033 0.000 1.852 114 A HA -0.285 4.035 4.320 0.000 0.000 0.217 114 A C 1.814 179.357 177.584 -0.068 0.000 1.215 114 A CA 1.818 53.807 52.037 -0.081 0.000 0.641 114 A CB -0.836 17.898 19.000 -0.444 0.000 0.838 114 A HN 0.487 nan 8.150 nan 0.000 0.450 115 Y N -1.006 118.968 120.300 -0.544 0.000 2.274 115 Y HA -0.082 4.468 4.550 0.000 0.000 0.290 115 Y C 1.056 176.711 175.900 -0.409 0.000 1.145 115 Y CA 0.177 57.944 58.100 -0.554 0.000 1.203 115 Y CB -0.890 37.084 38.460 -0.810 0.000 0.984 115 Y HN 0.293 nan 8.280 nan 0.000 0.533 116 F N -0.741 119.313 119.950 0.173 0.000 2.733 116 F HA 0.281 4.808 4.527 0.000 0.000 0.344 116 F C 0.966 176.850 175.800 0.141 0.000 1.179 116 F CA 0.174 58.267 58.000 0.155 0.000 1.316 116 F CB -0.117 38.955 39.000 0.120 0.000 1.577 116 F HN -0.202 nan 8.300 nan 0.000 0.591 117 S N -0.896 114.950 115.700 0.244 0.000 2.551 117 S HA 0.153 4.623 4.470 0.000 0.000 0.236 117 S C -0.340 174.378 174.600 0.197 0.000 0.915 117 S CA -0.217 58.114 58.200 0.219 0.000 1.525 117 S CB 0.349 63.684 63.200 0.224 0.000 1.256 117 S HN -0.030 nan 8.310 nan 0.000 0.641 118 V N 3.886 123.907 119.914 0.178 0.000 2.444 118 V HA 0.453 4.573 4.120 0.000 0.000 0.294 118 V C -2.696 173.459 176.094 0.102 0.000 1.022 118 V CA -2.082 60.299 62.300 0.135 0.000 0.850 118 V CB 1.664 33.584 31.823 0.163 0.000 0.992 118 V HN 0.033 nan 8.190 nan 0.000 0.426 119 P HA 0.131 nan 4.420 nan 0.000 0.267 119 P C -0.759 176.584 177.300 0.073 0.000 1.200 119 P CA -0.164 62.992 63.100 0.093 0.000 0.772 119 P CB 0.591 32.343 31.700 0.087 0.000 0.855 120 L N 2.491 123.762 121.223 0.079 0.000 2.325 120 L HA 0.391 4.731 4.340 0.000 0.000 0.278 120 L C -0.123 176.787 176.870 0.067 0.000 1.023 120 L CA -0.724 54.150 54.840 0.057 0.000 0.811 120 L CB 1.034 43.124 42.059 0.052 0.000 1.249 120 L HN 0.212 nan 8.230 nan 0.000 0.431 121 D N 2.472 122.911 120.400 0.065 0.000 2.502 121 D HA -0.066 4.574 4.640 0.000 0.000 0.249 121 D C 1.046 177.401 176.300 0.092 0.000 1.188 121 D CA 0.761 54.810 54.000 0.082 0.000 0.890 121 D CB 0.694 41.548 40.800 0.089 0.000 1.140 121 D HN 0.655 nan 8.370 nan 0.000 0.505 122 E N 2.452 122.693 120.200 0.069 0.000 2.169 122 E HA -0.249 4.101 4.350 0.000 0.000 0.202 122 E C 0.888 177.507 176.600 0.031 0.000 1.016 122 E CA 1.252 57.682 56.400 0.049 0.000 0.817 122 E CB 0.137 29.862 29.700 0.042 0.000 0.736 122 E HN 0.604 nan 8.360 nan 0.000 0.462 123 D N -0.369 120.063 120.400 0.055 0.000 2.194 123 D HA -0.081 4.559 4.640 0.000 0.000 0.204 123 D C 1.444 177.739 176.300 -0.008 0.000 0.964 123 D CA 0.575 54.597 54.000 0.036 0.000 0.846 123 D CB -0.156 40.694 40.800 0.083 0.000 0.962 123 D HN 0.110 nan 8.370 nan 0.000 0.490 124 F N 1.591 121.478 119.950 -0.104 0.000 2.710 124 F HA 0.090 4.617 4.527 0.000 0.000 0.298 124 F C 1.963 177.573 175.800 -0.316 0.000 1.137 124 F CA 0.279 58.183 58.000 -0.160 0.000 1.444 124 F CB 0.171 39.138 39.000 -0.055 0.000 1.111 124 F HN -0.245 nan 8.300 nan 0.000 0.580 125 R N 0.344 120.762 120.500 -0.137 0.000 2.249 125 R HA -0.157 4.183 4.340 0.000 0.000 0.230 125 R C 1.879 178.042 176.300 -0.229 0.000 1.121 125 R CA 1.227 57.256 56.100 -0.118 0.000 0.997 125 R CB -0.275 30.023 30.300 -0.003 0.000 0.867 125 R HN 0.331 nan 8.270 nan 0.000 0.465 126 K N -0.097 120.008 120.400 -0.492 0.000 2.057 126 K HA -0.145 4.175 4.320 0.000 0.000 0.206 126 K C 1.323 177.690 176.600 -0.388 0.000 1.050 126 K CA 1.404 57.427 56.287 -0.440 0.000 0.935 126 K CB -0.116 32.036 32.500 -0.581 0.000 0.715 126 K HN 0.270 nan 8.250 nan 0.000 0.439 127 Y N 1.066 121.080 120.300 -0.478 0.000 2.546 127 Y HA -0.022 4.528 4.550 0.000 0.000 0.287 127 Y C 1.874 177.659 175.900 -0.191 0.000 1.158 127 Y CA 0.591 58.350 58.100 -0.568 0.000 1.307 127 Y CB -0.815 37.069 38.460 -0.961 0.000 1.036 127 Y HN 0.055 nan 8.280 nan 0.000 0.532 128 T N -2.062 112.493 114.554 0.002 0.000 3.273 128 T HA 0.602 4.952 4.350 0.000 0.000 0.254 128 T C 0.606 175.658 174.700 0.587 0.000 1.002 128 T CA -0.184 62.124 62.100 0.346 0.000 0.913 128 T CB -0.636 68.383 68.868 0.252 0.000 1.056 128 T HN 0.217 nan 8.240 nan 0.000 0.576 129 A N 1.780 124.848 122.820 0.414 0.000 2.401 129 A HA 0.664 4.984 4.320 0.000 0.000 0.259 129 A C -0.110 177.733 177.584 0.431 0.000 1.103 129 A CA -0.784 51.466 52.037 0.355 0.000 0.789 129 A CB -0.068 19.062 19.000 0.217 0.000 1.035 129 A HN 0.669 nan 8.150 nan 0.000 0.491 130 F N -0.249 119.777 119.950 0.126 0.000 2.764 130 F HA 0.918 5.445 4.527 0.000 0.000 0.347 130 F C -0.301 175.516 175.800 0.028 0.000 1.151 130 F CA -1.162 56.874 58.000 0.060 0.000 1.021 130 F CB 1.097 40.124 39.000 0.045 0.000 1.438 130 F HN 0.361 nan 8.300 nan 0.000 0.516 131 T N 2.439 117.032 114.554 0.066 0.000 3.071 131 T HA 0.497 4.847 4.350 0.000 0.000 0.311 131 T C -1.222 173.500 174.700 0.036 0.000 1.042 131 T CA -0.345 61.714 62.100 -0.069 0.000 1.028 131 T CB 1.600 70.425 68.868 -0.072 0.000 1.068 131 T HN 0.543 nan 8.240 nan 0.000 0.451 132 I N 5.185 125.758 120.570 0.006 0.000 2.307 132 I HA 0.324 4.494 4.170 0.000 0.000 0.289 132 I C -1.949 174.163 176.117 -0.008 0.000 1.021 132 I CA -2.799 58.536 61.300 0.058 0.000 1.224 132 I CB 0.979 39.050 38.000 0.117 0.000 1.376 132 I HN 0.366 nan 8.210 nan 0.000 0.470 133 P HA 0.172 nan 4.420 nan 0.000 0.274 133 P C -0.049 177.241 177.300 -0.016 0.000 1.231 133 P CA -0.234 62.857 63.100 -0.016 0.000 0.790 133 P CB 0.882 32.582 31.700 0.000 0.000 0.951 134 S N 1.003 116.688 115.700 -0.024 0.000 2.626 134 S HA 0.125 4.595 4.470 0.000 0.000 0.257 134 S C 1.536 176.127 174.600 -0.015 0.000 1.288 134 S CA -0.442 57.745 58.200 -0.023 0.000 0.980 134 S CB -0.342 62.840 63.200 -0.029 0.000 0.975 134 S HN 0.290 nan 8.310 nan 0.000 0.577 135 I N 1.279 121.840 120.570 -0.015 0.000 2.361 135 I HA -0.114 4.056 4.170 0.000 0.000 0.251 135 I C 1.556 177.668 176.117 -0.008 0.000 1.133 135 I CA 1.652 62.944 61.300 -0.012 0.000 1.413 135 I CB -1.058 36.935 38.000 -0.013 0.000 1.073 135 I HN 0.906 nan 8.210 nan 0.000 0.424 136 N N -1.898 116.797 118.700 -0.009 0.000 2.167 136 N HA 0.119 4.859 4.740 0.000 0.000 0.234 136 N C -0.455 175.051 175.510 -0.006 0.000 1.312 136 N CA -0.485 52.562 53.050 -0.006 0.000 0.861 136 N CB 0.014 38.498 38.487 -0.006 0.000 1.217 136 N HN 0.050 nan 8.380 nan 0.000 0.504 137 N N 0.883 119.577 118.700 -0.010 0.000 2.525 137 N HA -0.155 4.585 4.740 0.000 0.000 0.283 137 N C -0.338 175.163 175.510 -0.014 0.000 1.259 137 N CA 0.802 53.845 53.050 -0.012 0.000 0.689 137 N CB -0.032 38.452 38.487 -0.005 0.000 0.899 137 N HN 0.613 nan 8.380 nan 0.000 0.541 138 E N 0.037 120.225 120.200 -0.020 0.000 2.067 138 E HA 0.087 4.437 4.350 0.000 0.000 0.194 138 E C 0.841 177.427 176.600 -0.025 0.000 0.950 138 E CA 1.061 57.449 56.400 -0.021 0.000 0.872 138 E CB 0.243 29.929 29.700 -0.022 0.000 0.877 138 E HN 0.590 nan 8.360 nan 0.000 0.470 139 T N 0.380 114.915 114.554 -0.032 0.000 2.598 139 T HA 0.351 4.701 4.350 0.000 0.000 0.254 139 T C -2.401 172.271 174.700 -0.047 0.000 0.889 139 T CA -1.237 60.841 62.100 -0.037 0.000 1.091 139 T CB 0.029 68.874 68.868 -0.038 0.000 1.437 139 T HN 0.006 nan 8.240 nan 0.000 0.542 140 P HA 0.375 nan 4.420 nan 0.000 0.274 140 P C 0.014 177.259 177.300 -0.090 0.000 1.231 140 P CA -0.195 62.861 63.100 -0.073 0.000 0.790 140 P CB 0.311 31.962 31.700 -0.082 0.000 0.951 141 G N 1.902 110.643 108.800 -0.098 0.000 2.562 141 G HA2 0.385 4.345 3.960 0.000 0.000 0.275 141 G HA3 0.385 4.345 3.960 0.000 0.000 0.275 141 G C 0.163 174.947 174.900 -0.194 0.000 1.196 141 G CA -0.752 44.277 45.100 -0.118 0.000 0.908 141 G HN 0.435 nan 8.290 nan 0.000 0.524 142 I N 0.570 120.984 120.570 -0.261 0.000 2.556 142 I HA 0.133 4.303 4.170 0.000 0.000 0.284 142 I C 1.424 177.177 176.117 -0.607 0.000 1.114 142 I CA 0.001 61.009 61.300 -0.487 0.000 1.418 142 I CB 0.778 38.382 38.000 -0.661 0.000 1.394 142 I HN 0.684 nan 8.210 nan 0.000 0.552 143 R N 4.374 124.510 120.500 -0.606 0.000 2.072 143 R HA 0.009 4.349 4.340 0.000 0.000 0.221 143 R C -0.625 175.310 176.300 -0.609 0.000 1.166 143 R CA 0.545 56.350 56.100 -0.491 0.000 0.917 143 R CB -0.208 29.910 30.300 -0.303 0.000 0.815 143 R HN 0.484 nan 8.270 nan 0.000 0.444 144 Y N -0.171 119.871 120.300 -0.430 0.000 2.535 144 Y HA -0.274 4.276 4.550 0.000 0.000 0.023 144 Y C -0.323 175.273 175.900 -0.507 0.000 1.731 144 Y CA 0.088 57.855 58.100 -0.554 0.000 1.399 144 Y CB -1.018 36.913 38.460 -0.881 0.000 2.046 144 Y HN 0.441 nan 8.280 nan 0.000 0.258 145 Q N 0.210 120.004 119.800 -0.009 0.000 2.587 145 Q HA 0.859 5.199 4.340 0.000 0.000 0.293 145 Q C -1.889 174.222 176.000 0.185 0.000 1.083 145 Q CA -1.409 54.494 55.803 0.165 0.000 0.792 145 Q CB 2.304 31.109 28.738 0.111 0.000 1.484 145 Q HN 0.481 nan 8.270 nan 0.000 0.446 146 Y N 0.555 121.010 120.300 0.259 0.000 2.361 146 Y HA 0.350 4.900 4.550 0.000 0.000 0.332 146 Y C 0.322 176.296 175.900 0.123 0.000 1.101 146 Y CA -0.346 57.883 58.100 0.215 0.000 1.137 146 Y CB 1.569 40.149 38.460 0.201 0.000 1.207 146 Y HN 0.717 nan 8.280 nan 0.000 0.463 147 N N 0.744 119.630 118.700 0.310 0.000 2.227 147 N HA 0.114 4.854 4.740 0.000 0.000 0.196 147 N C -0.579 175.058 175.510 0.211 0.000 1.142 147 N CA 0.305 53.475 53.050 0.200 0.000 0.887 147 N CB 1.139 39.711 38.487 0.141 0.000 1.022 147 N HN 0.345 nan 8.380 nan 0.000 0.500 148 V N 0.433 120.535 119.914 0.312 0.000 3.181 148 V HA 0.417 4.537 4.120 0.000 0.000 0.314 148 V C -0.874 175.301 176.094 0.136 0.000 1.173 148 V CA -0.965 61.484 62.300 0.247 0.000 1.052 148 V CB 2.233 34.256 31.823 0.334 0.000 1.123 148 V HN -0.136 nan 8.190 nan 0.000 0.454 149 L N 5.538 126.754 121.223 -0.010 0.000 2.385 149 L HA 0.371 4.711 4.340 0.000 0.000 0.281 149 L C -2.126 174.554 176.870 -0.317 0.000 1.106 149 L CA -1.133 53.607 54.840 -0.168 0.000 0.856 149 L CB 0.679 42.584 42.059 -0.256 0.000 1.186 149 L HN 0.466 nan 8.230 nan 0.000 0.453 150 P HA 0.049 nan 4.420 nan 0.000 0.275 150 P C -1.035 176.253 177.300 -0.019 0.000 1.227 150 P CA -0.548 62.261 63.100 -0.485 0.000 0.781 150 P CB 0.643 31.954 31.700 -0.648 0.000 0.906 151 Q N 1.048 120.849 119.800 0.001 0.000 2.369 151 Q HA 0.421 4.761 4.340 0.000 0.000 0.247 151 Q C 0.910 176.974 176.000 0.108 0.000 1.083 151 Q CA 0.477 56.324 55.803 0.074 0.000 0.905 151 Q CB -0.099 28.626 28.738 -0.022 0.000 1.305 151 Q HN 0.877 nan 8.270 nan 0.000 0.465 152 G N 2.925 111.847 108.800 0.203 0.000 2.273 152 G HA2 -0.184 3.776 3.960 0.000 0.000 0.162 152 G HA3 -0.184 3.776 3.960 0.000 0.000 0.162 152 G C -0.948 174.204 174.900 0.420 0.000 1.006 152 G CA -0.759 44.488 45.100 0.245 0.000 0.704 152 G HN 0.574 nan 8.290 nan 0.000 0.487 153 W N 2.505 123.923 121.300 0.197 0.000 2.417 153 W HA 0.692 5.352 4.660 0.000 0.000 0.317 153 W C 1.101 177.549 176.519 -0.118 0.000 1.121 153 W CA -1.024 56.339 57.345 0.029 0.000 1.208 153 W CB 1.314 30.640 29.460 -0.223 0.000 1.253 153 W HN -0.089 nan 8.180 nan 0.000 0.533 154 K N 2.591 122.575 120.400 -0.694 0.000 2.160 154 K HA -0.160 4.160 4.320 0.000 0.000 0.206 154 K C 1.648 177.481 176.600 -1.279 0.000 1.047 154 K CA 1.899 57.733 56.287 -0.756 0.000 0.930 154 K CB -0.545 31.645 32.500 -0.518 0.000 0.720 154 K HN 0.812 nan 8.250 nan 0.000 0.450 155 G N -0.397 107.011 108.800 -2.319 0.000 2.494 155 G HA2 -0.111 3.849 3.960 0.000 0.000 0.216 155 G HA3 -0.111 3.849 3.960 0.000 0.000 0.216 155 G C 1.510 175.560 174.900 -1.416 0.000 1.140 155 G CA 0.418 43.896 45.100 -2.703 0.000 0.801 155 G HN 0.238 nan 8.290 nan 0.000 0.536 156 S N 1.881 117.063 115.700 -0.864 0.000 2.359 156 S HA -0.114 4.356 4.470 0.000 0.000 0.223 156 S C 0.089 174.323 174.600 -0.611 0.000 1.039 156 S CA 1.774 59.647 58.200 -0.544 0.000 1.042 156 S CB -0.874 62.110 63.200 -0.359 0.000 0.915 156 S HN 0.338 nan 8.310 nan 0.000 0.439 157 P HA 0.044 nan 4.420 nan 0.000 0.215 157 P C 1.489 178.674 177.300 -0.192 0.000 1.157 157 P CA 1.381 64.376 63.100 -0.175 0.000 0.863 157 P CB -0.150 31.485 31.700 -0.108 0.000 0.787 158 A N -0.658 121.982 122.820 -0.300 0.000 1.933 158 A HA -0.171 4.149 4.320 0.000 0.000 0.218 158 A C 2.239 179.712 177.584 -0.185 0.000 1.175 158 A CA 1.451 53.346 52.037 -0.236 0.000 0.628 158 A CB -1.659 17.182 19.000 -0.265 0.000 0.814 158 A HN 0.106 nan 8.150 nan 0.000 0.444 159 I N -2.121 118.302 120.570 -0.245 0.000 2.252 159 I HA -0.191 3.979 4.170 0.000 0.000 0.245 159 I C 2.332 178.359 176.117 -0.149 0.000 1.102 159 I CA 1.387 62.594 61.300 -0.155 0.000 1.385 159 I CB -0.305 37.613 38.000 -0.137 0.000 1.064 159 I HN 0.443 nan 8.210 nan 0.000 0.414 160 F N 1.838 121.605 119.950 -0.305 0.000 2.075 160 F HA -0.282 4.245 4.527 0.000 0.000 0.297 160 F C 2.606 178.311 175.800 -0.158 0.000 1.113 160 F CA 1.838 59.688 58.000 -0.251 0.000 1.218 160 F CB -0.424 38.383 39.000 -0.323 0.000 0.984 160 F HN 0.002 nan 8.300 nan 0.000 0.472 161 Q N -0.580 119.118 119.800 -0.169 0.000 2.096 161 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 161 Q C 2.510 178.359 176.000 -0.253 0.000 0.982 161 Q CA 2.071 57.748 55.803 -0.209 0.000 0.850 161 Q CB -0.563 28.108 28.738 -0.113 0.000 0.901 161 Q HN 0.357 nan 8.270 nan 0.000 0.422 162 S N -0.524 115.056 115.700 -0.200 0.000 2.383 162 S HA -0.099 4.371 4.470 0.000 0.000 0.227 162 S C 1.909 176.381 174.600 -0.213 0.000 1.026 162 S CA 1.161 59.266 58.200 -0.159 0.000 0.981 162 S CB -0.061 63.081 63.200 -0.097 0.000 0.818 162 S HN 0.313 nan 8.310 nan 0.000 0.472 163 S N 0.835 116.361 115.700 -0.290 0.000 2.436 163 S HA 0.032 4.502 4.470 0.000 0.000 0.228 163 S C 1.691 176.009 174.600 -0.469 0.000 1.014 163 S CA 0.892 58.891 58.200 -0.335 0.000 0.950 163 S CB -0.210 62.808 63.200 -0.304 0.000 0.784 163 S HN 0.465 nan 8.310 nan 0.000 0.504 164 M N 1.903 121.157 119.600 -0.577 0.000 2.288 164 M HA 0.022 4.502 4.480 0.000 0.000 0.266 164 M C 1.821 177.915 176.300 -0.343 0.000 1.072 164 M CA 1.500 56.468 55.300 -0.554 0.000 1.132 164 M CB -1.153 31.061 32.600 -0.644 0.000 1.386 164 M HN 0.099 nan 8.290 nan 0.000 0.432 165 T N 0.228 114.624 114.554 -0.264 0.000 2.857 165 T HA -0.075 4.275 4.350 0.000 0.000 0.266 165 T C 1.796 176.402 174.700 -0.156 0.000 1.048 165 T CA 1.190 63.191 62.100 -0.164 0.000 1.139 165 T CB -0.117 68.681 68.868 -0.117 0.000 0.874 165 T HN 0.408 nan 8.240 nan 0.000 0.455 166 K N 0.416 120.693 120.400 -0.205 0.000 2.288 166 K HA 0.157 4.477 4.320 0.000 0.000 0.201 166 K C 2.040 178.470 176.600 -0.284 0.000 1.048 166 K CA 0.638 56.818 56.287 -0.178 0.000 0.956 166 K CB -0.120 32.287 32.500 -0.155 0.000 0.746 166 K HN 0.366 nan 8.250 nan 0.000 0.461 167 I N 0.678 120.941 120.570 -0.511 0.000 2.333 167 I HA -0.209 3.961 4.170 0.000 0.000 0.246 167 I C 1.784 177.785 176.117 -0.194 0.000 1.106 167 I CA 1.030 61.823 61.300 -0.845 0.000 1.411 167 I CB 0.065 37.431 38.000 -1.057 0.000 1.082 167 I HN 0.060 nan 8.210 nan 0.000 0.420 168 L N 0.369 121.528 121.223 -0.106 0.000 2.591 168 L HA -0.024 4.316 4.340 0.000 0.000 0.228 168 L C 2.299 179.221 176.870 0.086 0.000 1.133 168 L CA 0.287 55.149 54.840 0.038 0.000 0.880 168 L CB -0.338 41.717 42.059 -0.007 0.000 1.033 168 L HN 0.291 nan 8.230 nan 0.000 0.450 169 E N 1.449 121.686 120.200 0.061 0.000 2.072 169 E HA -0.183 4.167 4.350 0.000 0.000 0.191 169 E C -0.605 176.058 176.600 0.104 0.000 0.985 169 E CA 1.035 57.474 56.400 0.065 0.000 0.801 169 E CB -0.391 29.332 29.700 0.039 0.000 0.750 169 E HN 0.302 nan 8.360 nan 0.000 0.452 170 P HA -0.074 nan 4.420 nan 0.000 0.217 170 P C 0.997 178.354 177.300 0.094 0.000 1.151 170 P CA 0.847 64.061 63.100 0.191 0.000 0.828 170 P CB -0.151 31.771 31.700 0.371 0.000 0.788 171 F N 0.659 120.534 119.950 -0.125 0.000 2.146 171 F HA -0.102 4.425 4.527 0.000 0.000 0.298 171 F C 2.173 177.894 175.800 -0.132 0.000 1.096 171 F CA 1.418 59.248 58.000 -0.284 0.000 1.275 171 F CB -0.218 38.448 39.000 -0.556 0.000 1.008 171 F HN -0.302 nan 8.300 nan 0.000 0.480 172 R N 0.234 120.737 120.500 0.004 0.000 2.120 172 R HA -0.138 4.202 4.340 0.000 0.000 0.234 172 R C 2.194 178.435 176.300 -0.099 0.000 1.123 172 R CA 1.333 57.409 56.100 -0.040 0.000 0.975 172 R CB -0.237 30.081 30.300 0.030 0.000 0.866 172 R HN 0.302 nan 8.270 nan 0.000 0.446 173 K N 0.485 120.838 120.400 -0.078 0.000 2.057 173 K HA -0.159 4.161 4.320 0.000 0.000 0.207 173 K C 1.971 178.502 176.600 -0.115 0.000 1.049 173 K CA 1.315 57.561 56.287 -0.068 0.000 0.931 173 K CB 0.048 32.530 32.500 -0.030 0.000 0.714 173 K HN 0.221 nan 8.250 nan 0.000 0.440 174 Q N -0.032 119.655 119.800 -0.187 0.000 2.472 174 Q HA 0.026 4.366 4.340 0.000 0.000 0.208 174 Q C -0.195 175.625 176.000 -0.299 0.000 0.958 174 Q CA 0.465 56.130 55.803 -0.230 0.000 0.932 174 Q CB 0.379 28.961 28.738 -0.261 0.000 1.007 174 Q HN 0.233 nan 8.270 nan 0.000 0.508 175 N N 0.019 118.518 118.700 -0.336 0.000 2.711 175 N HA 0.144 4.884 4.740 0.000 0.000 0.263 175 N C -2.457 172.962 175.510 -0.152 0.000 1.667 175 N CA -0.791 52.084 53.050 -0.292 0.000 0.785 175 N CB 1.507 39.696 38.487 -0.497 0.000 1.231 175 N HN -0.014 nan 8.380 nan 0.000 0.503 176 P HA -0.042 nan 4.420 nan 0.000 0.222 176 P C 0.597 177.879 177.300 -0.031 0.000 1.147 176 P CA 1.055 64.122 63.100 -0.055 0.000 0.790 176 P CB 0.394 32.066 31.700 -0.047 0.000 0.780 177 D N -0.881 119.500 120.400 -0.033 0.000 2.347 177 D HA 0.028 4.668 4.640 0.000 0.000 0.213 177 D C 0.794 177.097 176.300 0.006 0.000 0.985 177 D CA 0.458 54.451 54.000 -0.012 0.000 0.879 177 D CB 0.349 41.141 40.800 -0.013 0.000 0.919 177 D HN 0.270 nan 8.370 nan 0.000 0.526 178 I N 1.967 122.540 120.570 0.006 0.000 2.352 178 I HA 0.038 4.208 4.170 0.000 0.000 0.290 178 I C -0.048 176.105 176.117 0.061 0.000 1.036 178 I CA -0.476 60.849 61.300 0.041 0.000 1.336 178 I CB 1.864 39.900 38.000 0.061 0.000 1.407 178 I HN -0.347 nan 8.210 nan 0.000 0.497 179 V N 8.323 128.285 119.914 0.080 0.000 2.368 179 V HA 0.277 4.397 4.120 0.000 0.000 0.266 179 V C 0.287 176.479 176.094 0.164 0.000 1.045 179 V CA -0.184 62.185 62.300 0.116 0.000 0.899 179 V CB 0.646 32.569 31.823 0.166 0.000 1.006 179 V HN 0.468 nan 8.190 nan 0.000 0.470 180 I N 5.657 126.309 120.570 0.135 0.000 2.412 180 I HA 0.293 4.463 4.170 0.000 0.000 0.279 180 I C -0.652 175.576 176.117 0.185 0.000 1.063 180 I CA -0.571 60.825 61.300 0.160 0.000 1.193 180 I CB 0.525 38.591 38.000 0.110 0.000 1.370 180 I HN 0.466 nan 8.210 nan 0.000 0.479 181 Y N 5.213 125.599 120.300 0.143 0.000 2.637 181 Y HA 0.073 4.623 4.550 0.000 0.000 0.350 181 Y C 0.795 176.849 175.900 0.257 0.000 1.069 181 Y CA -0.108 58.091 58.100 0.164 0.000 1.397 181 Y CB 0.379 38.882 38.460 0.072 0.000 1.163 181 Y HN 0.514 nan 8.280 nan 0.000 0.527 182 Q N 3.339 123.313 119.800 0.290 0.000 2.347 182 Q HA 0.385 4.725 4.340 0.000 0.000 0.262 182 Q C -1.805 174.378 176.000 0.306 0.000 0.980 182 Q CA -0.957 55.010 55.803 0.274 0.000 0.867 182 Q CB 1.377 30.192 28.738 0.127 0.000 1.242 182 Q HN 0.652 nan 8.270 nan 0.000 0.453 183 Y N 5.935 126.380 120.300 0.241 0.000 2.363 183 Y HA 0.324 4.874 4.550 0.000 0.000 0.325 183 Y C 0.407 176.415 175.900 0.180 0.000 0.984 183 Y CA -0.569 57.635 58.100 0.173 0.000 1.248 183 Y CB 0.832 39.373 38.460 0.135 0.000 1.116 183 Y HN 0.948 nan 8.280 nan 0.000 0.470 184 M N 1.643 121.227 119.600 -0.027 0.000 7.319 184 M HA -0.378 4.102 4.480 0.000 0.000 0.285 184 M C 0.814 177.404 176.300 0.484 0.000 0.480 184 M CA 2.689 58.114 55.300 0.209 0.000 1.311 184 M CB -1.455 31.200 32.600 0.092 0.000 0.421 184 M HN 0.809 nan 8.290 nan 0.000 0.454 185 D N -0.860 119.779 120.400 0.399 0.000 2.469 185 D HA 0.235 4.875 4.640 0.000 0.000 0.213 185 D C -0.078 176.391 176.300 0.281 0.000 1.135 185 D CA 0.132 54.366 54.000 0.389 0.000 0.834 185 D CB -0.296 40.677 40.800 0.288 0.000 1.009 185 D HN 0.381 nan 8.370 nan 0.000 0.507 186 D N 0.915 121.499 120.400 0.307 0.000 2.393 186 D HA 0.252 4.892 4.640 0.000 0.000 0.232 186 D C -0.495 176.051 176.300 0.410 0.000 1.192 186 D CA -0.253 53.956 54.000 0.349 0.000 0.882 186 D CB 0.438 41.456 40.800 0.364 0.000 1.038 186 D HN 0.130 nan 8.370 nan 0.000 0.499 187 L N 4.052 125.470 121.223 0.326 0.000 2.276 187 L HA 0.322 4.662 4.340 0.000 0.000 0.286 187 L C -0.637 176.381 176.870 0.248 0.000 1.024 187 L CA -1.361 53.649 54.840 0.284 0.000 0.826 187 L CB 0.803 42.958 42.059 0.160 0.000 1.211 187 L HN 0.342 nan 8.230 nan 0.000 0.422 188 Y N 4.593 124.933 120.300 0.066 0.000 2.477 188 Y HA 0.471 5.021 4.550 0.000 0.000 0.349 188 Y C -0.559 175.262 175.900 -0.131 0.000 0.977 188 Y CA -0.703 57.253 58.100 -0.241 0.000 1.214 188 Y CB 0.883 38.818 38.460 -0.874 0.000 1.124 188 Y HN 0.304 nan 8.280 nan 0.000 0.521 189 V N 6.467 126.237 119.914 -0.239 0.000 2.370 189 V HA 0.703 4.823 4.120 0.000 0.000 0.279 189 V C 0.443 176.337 176.094 -0.332 0.000 1.029 189 V CA -0.250 61.959 62.300 -0.152 0.000 0.870 189 V CB 0.960 32.731 31.823 -0.087 0.000 0.984 189 V HN 0.982 nan 8.190 nan 0.000 0.451 190 G N 2.931 111.611 108.800 -0.200 0.000 2.643 190 G HA2 0.696 4.656 3.960 0.000 0.000 0.305 190 G HA3 0.696 4.656 3.960 0.000 0.000 0.305 190 G C -0.610 174.294 174.900 0.007 0.000 1.387 190 G CA -0.222 44.759 45.100 -0.199 0.000 0.982 190 G HN 0.899 nan 8.290 nan 0.000 0.501 191 S N 0.162 115.903 115.700 0.068 0.000 2.667 191 S HA 0.565 5.035 4.470 0.000 0.000 0.292 191 S C -0.629 173.990 174.600 0.031 0.000 1.126 191 S CA -0.741 57.514 58.200 0.092 0.000 0.881 191 S CB 2.566 65.886 63.200 0.199 0.000 1.132 191 S HN 0.259 nan 8.310 nan 0.000 0.492 192 D N 0.509 120.928 120.400 0.031 0.000 2.368 192 D HA 0.359 4.999 4.640 0.000 0.000 0.218 192 D C 0.235 176.547 176.300 0.021 0.000 1.112 192 D CA 0.065 54.071 54.000 0.009 0.000 0.834 192 D CB -0.059 40.743 40.800 0.003 0.000 0.953 192 D HN 0.442 nan 8.370 nan 0.000 0.505 193 L N 0.660 121.916 121.223 0.054 0.000 2.468 193 L HA 0.188 4.528 4.340 0.000 0.000 0.254 193 L C 1.059 177.959 176.870 0.051 0.000 1.171 193 L CA -0.636 54.241 54.840 0.062 0.000 0.809 193 L CB 0.717 42.834 42.059 0.097 0.000 1.155 193 L HN -0.225 nan 8.230 nan 0.000 0.473 194 E N 0.771 121.000 120.200 0.049 0.000 2.354 194 E HA 0.104 4.454 4.350 0.000 0.000 0.269 194 E C 1.162 177.800 176.600 0.065 0.000 1.036 194 E CA -0.104 56.319 56.400 0.038 0.000 0.876 194 E CB 1.330 31.049 29.700 0.031 0.000 1.009 194 E HN 0.416 nan 8.360 nan 0.000 0.416 195 I N 1.587 122.181 120.570 0.039 0.000 2.182 195 I HA -0.361 3.809 4.170 0.000 0.000 0.248 195 I C 2.109 178.287 176.117 0.101 0.000 1.073 195 I CA 2.007 63.340 61.300 0.056 0.000 1.335 195 I CB -0.487 37.530 38.000 0.029 0.000 1.031 195 I HN 0.619 nan 8.210 nan 0.000 0.420 196 G N -0.325 108.520 108.800 0.075 0.000 2.394 196 G HA2 -0.175 3.785 3.960 0.000 0.000 0.214 196 G HA3 -0.175 3.785 3.960 0.000 0.000 0.214 196 G C 1.587 176.533 174.900 0.077 0.000 1.176 196 G CA 0.309 45.450 45.100 0.069 0.000 0.786 196 G HN 0.446 nan 8.290 nan 0.000 0.533 197 Q N -0.833 119.013 119.800 0.077 0.000 2.297 197 Q HA -0.037 4.303 4.340 0.000 0.000 0.204 197 Q C 2.112 178.164 176.000 0.087 0.000 0.962 197 Q CA 1.059 56.902 55.803 0.068 0.000 0.879 197 Q CB -0.073 28.697 28.738 0.053 0.000 0.947 197 Q HN 0.764 nan 8.270 nan 0.000 0.462 198 H N 0.926 120.010 119.070 0.023 0.000 2.307 198 H HA 0.059 4.615 4.556 0.000 0.000 0.303 198 H C 1.887 177.235 175.328 0.034 0.000 1.073 198 H CA 1.274 57.336 56.048 0.022 0.000 1.338 198 H CB 0.266 30.033 29.762 0.009 0.000 1.389 198 H HN -0.059 nan 8.280 nan 0.000 0.503 199 R N -0.344 120.244 120.500 0.146 0.000 2.200 199 R HA -0.103 4.237 4.340 0.000 0.000 0.234 199 R C 1.796 178.111 176.300 0.024 0.000 1.127 199 R CA 1.624 57.774 56.100 0.083 0.000 0.989 199 R CB -0.128 30.240 30.300 0.113 0.000 0.869 199 R HN 0.509 nan 8.270 nan 0.000 0.459 200 T N 0.445 115.014 114.554 0.024 0.000 2.851 200 T HA -0.007 4.343 4.350 0.000 0.000 0.262 200 T C 1.649 176.367 174.700 0.030 0.000 1.043 200 T CA 0.527 62.644 62.100 0.029 0.000 1.140 200 T CB 0.077 68.966 68.868 0.035 0.000 0.872 200 T HN 0.063 nan 8.240 nan 0.000 0.446 201 K N 1.141 121.548 120.400 0.012 0.000 2.148 201 K HA 0.074 4.394 4.320 0.000 0.000 0.204 201 K C 2.184 178.824 176.600 0.068 0.000 1.050 201 K CA 0.672 57.008 56.287 0.082 0.000 0.942 201 K CB -0.450 32.084 32.500 0.057 0.000 0.724 201 K HN 0.327 nan 8.250 nan 0.000 0.446 202 I N 1.131 121.658 120.570 -0.072 0.000 2.315 202 I HA -0.168 4.002 4.170 0.000 0.000 0.248 202 I C 1.984 178.078 176.117 -0.038 0.000 1.117 202 I CA 1.213 62.455 61.300 -0.097 0.000 1.404 202 I CB -0.888 37.041 38.000 -0.119 0.000 1.071 202 I HN 0.250 nan 8.210 nan 0.000 0.419 203 E N 0.492 120.694 120.200 0.003 0.000 2.285 203 E HA -0.142 4.208 4.350 0.000 0.000 0.194 203 E C 1.930 178.559 176.600 0.048 0.000 0.997 203 E CA 0.414 56.829 56.400 0.025 0.000 0.845 203 E CB 0.214 29.934 29.700 0.034 0.000 0.782 203 E HN 0.512 nan 8.360 nan 0.000 0.491 204 E N 0.483 120.734 120.200 0.084 0.000 2.112 204 E HA -0.099 4.251 4.350 0.000 0.000 0.190 204 E C 2.116 178.794 176.600 0.131 0.000 0.979 204 E CA 0.294 56.795 56.400 0.168 0.000 0.814 204 E CB 0.111 29.980 29.700 0.282 0.000 0.762 204 E HN 0.213 nan 8.360 nan 0.000 0.460 205 L N 1.096 122.259 121.223 -0.100 0.000 2.109 205 L HA -0.114 4.226 4.340 0.000 0.000 0.207 205 L C 2.477 179.234 176.870 -0.189 0.000 1.086 205 L CA 1.296 55.800 54.840 -0.561 0.000 0.760 205 L CB -0.218 41.405 42.059 -0.727 0.000 0.910 205 L HN 0.080 nan 8.230 nan 0.000 0.437 206 R N -0.539 119.918 120.500 -0.071 0.000 2.066 206 R HA -0.226 4.114 4.340 0.000 0.000 0.232 206 R C 2.255 178.580 176.300 0.043 0.000 1.131 206 R CA 1.637 57.734 56.100 -0.005 0.000 0.955 206 R CB -0.042 30.264 30.300 0.010 0.000 0.851 206 R HN 0.312 nan 8.270 nan 0.000 0.432 207 Q N -0.733 119.104 119.800 0.061 0.000 2.124 207 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 207 Q C 1.764 177.830 176.000 0.110 0.000 0.977 207 Q CA 1.990 57.840 55.803 0.078 0.000 0.850 207 Q CB -0.252 28.534 28.738 0.080 0.000 0.901 207 Q HN 0.472 nan 8.270 nan 0.000 0.429 208 H N -0.692 118.412 119.070 0.057 0.000 2.321 208 H HA -0.065 4.491 4.556 0.000 0.000 0.300 208 H C 1.569 177.038 175.328 0.234 0.000 1.087 208 H CA 1.890 58.018 56.048 0.134 0.000 1.319 208 H CB -0.121 29.709 29.762 0.113 0.000 1.379 208 H HN 0.246 nan 8.280 nan 0.000 0.501 209 L N -0.435 120.903 121.223 0.192 0.000 2.141 209 L HA -0.116 4.224 4.340 0.000 0.000 0.209 209 L C 2.269 179.233 176.870 0.156 0.000 1.094 209 L CA 0.664 55.601 54.840 0.162 0.000 0.763 209 L CB -0.265 41.845 42.059 0.086 0.000 0.908 209 L HN 0.321 nan 8.230 nan 0.000 0.437 210 L N -0.320 120.967 121.223 0.106 0.000 2.313 210 L HA -0.073 4.267 4.340 0.000 0.000 0.214 210 L C 2.510 179.421 176.870 0.068 0.000 1.119 210 L CA 1.412 56.304 54.840 0.087 0.000 0.809 210 L CB -0.434 41.662 42.059 0.061 0.000 0.933 210 L HN 0.048 nan 8.230 nan 0.000 0.449 211 R N -1.904 118.609 120.500 0.022 0.000 2.148 211 R HA -0.124 4.216 4.340 0.000 0.000 0.223 211 R C 1.406 177.665 176.300 -0.069 0.000 1.088 211 R CA 1.717 57.765 56.100 -0.088 0.000 0.985 211 R CB -0.309 29.853 30.300 -0.231 0.000 0.880 211 R HN 0.451 nan 8.270 nan 0.000 0.451 212 W N -0.575 120.664 121.300 -0.101 0.000 3.353 212 W HA 0.203 4.863 4.660 0.000 0.000 0.304 212 W C 1.126 177.634 176.519 -0.018 0.000 1.273 212 W CA 0.296 57.594 57.345 -0.079 0.000 1.773 212 W CB 0.840 30.226 29.460 -0.124 0.000 1.095 212 W HN 0.291 nan 8.180 nan 0.000 0.676 213 G N 0.386 109.321 108.800 0.224 0.000 2.217 213 G HA2 -0.307 3.653 3.960 0.000 0.000 0.246 213 G HA3 -0.307 3.653 3.960 0.000 0.000 0.246 213 G C 0.130 175.126 174.900 0.160 0.000 0.990 213 G CA -0.131 45.071 45.100 0.170 0.000 0.627 213 G HN 0.101 nan 8.290 nan 0.000 0.522 214 L N 2.996 124.318 121.223 0.165 0.000 2.295 214 L HA 0.389 4.729 4.340 0.000 0.000 0.288 214 L C 0.530 177.473 176.870 0.122 0.000 1.079 214 L CA -0.326 54.602 54.840 0.147 0.000 0.830 214 L CB 0.675 42.808 42.059 0.123 0.000 1.200 214 L HN 0.117 nan 8.230 nan 0.000 0.438 215 T N 0.957 115.581 114.554 0.115 0.000 2.909 215 T HA 0.331 4.681 4.350 0.000 0.000 0.289 215 T C 0.370 175.122 174.700 0.086 0.000 1.005 215 T CA -0.394 61.761 62.100 0.091 0.000 1.084 215 T CB 1.244 70.162 68.868 0.084 0.000 0.975 215 T HN 0.477 nan 8.240 nan 0.000 0.509 216 T N 3.994 118.590 114.554 0.069 0.000 2.991 216 T HA 0.424 4.774 4.350 0.000 0.000 0.347 216 T C -2.435 172.296 174.700 0.051 0.000 1.122 216 T CA -1.097 61.041 62.100 0.064 0.000 1.062 216 T CB 1.030 69.932 68.868 0.057 0.000 1.043 216 T HN 0.334 nan 8.240 nan 0.000 0.491 217 P HA 0.236 nan 4.420 nan 0.000 0.275 217 P C -0.137 177.177 177.300 0.025 0.000 1.266 217 P CA -0.612 62.509 63.100 0.034 0.000 0.793 217 P CB 0.576 32.295 31.700 0.031 0.000 1.074 218 D N 0.967 121.376 120.400 0.015 0.000 2.801 218 D HA 0.051 4.691 4.640 0.000 0.000 0.232 218 D C 0.259 176.549 176.300 -0.016 0.000 1.128 218 D CA 0.681 54.684 54.000 0.005 0.000 1.003 218 D CB -0.256 40.548 40.800 0.007 0.000 1.110 218 D HN 0.286 nan 8.370 nan 0.000 0.477 219 K N 1.755 122.141 120.400 -0.023 0.000 3.413 219 K HA 0.046 4.366 4.320 0.000 0.000 0.180 219 K C -0.895 175.664 176.600 -0.068 0.000 1.038 219 K CA -0.460 55.789 56.287 -0.063 0.000 0.864 219 K CB 0.369 32.848 32.500 -0.036 0.000 0.739 219 K HN 0.025 nan 8.250 nan 0.000 0.477 220 K N -0.186 120.183 120.400 -0.052 0.000 2.292 220 K HA 0.346 4.666 4.320 0.000 0.000 0.257 220 K C -0.670 175.924 176.600 -0.010 0.000 0.940 220 K CA -0.742 55.558 56.287 0.021 0.000 0.811 220 K CB 1.007 33.548 32.500 0.068 0.000 1.120 220 K HN 0.005 nan 8.250 nan 0.000 0.428 221 H N 3.538 122.711 119.070 0.172 0.000 3.232 221 H HA -0.021 4.535 4.556 0.000 0.000 0.254 221 H C 0.359 175.840 175.328 0.255 0.000 1.213 221 H CA 0.383 56.545 56.048 0.190 0.000 1.503 221 H CB 0.712 30.654 29.762 0.299 0.000 1.563 221 H HN 0.772 nan 8.280 nan 0.000 0.490 222 Q N 2.484 122.404 119.800 0.200 0.000 1.803 222 Q HA -0.193 4.147 4.340 0.000 0.000 0.284 222 Q C 0.672 176.828 176.000 0.259 0.000 1.004 222 Q CA 1.703 57.616 55.803 0.183 0.000 0.889 222 Q CB 0.231 29.026 28.738 0.094 0.000 0.949 222 Q HN 0.272 nan 8.270 nan 0.000 0.418 223 K N 0.413 120.905 120.400 0.153 0.000 3.209 223 K HA 0.174 4.494 4.320 0.000 0.000 0.202 223 K C -1.679 174.899 176.600 -0.037 0.000 1.109 223 K CA 0.094 56.479 56.287 0.164 0.000 0.968 223 K CB 0.626 33.202 32.500 0.127 0.000 0.732 223 K HN 0.131 nan 8.250 nan 0.000 0.450 224 E N 1.002 121.040 120.200 -0.271 0.000 2.152 224 E HA 0.132 4.482 4.350 0.000 0.000 0.285 224 E C -1.971 174.205 176.600 -0.706 0.000 1.043 224 E CA -2.028 54.166 56.400 -0.344 0.000 0.839 224 E CB 1.152 30.724 29.700 -0.212 0.000 1.069 224 E HN 0.071 nan 8.360 nan 0.000 0.399 225 P HA -0.149 nan 4.420 nan 0.000 0.217 225 P C -2.086 175.082 177.300 -0.220 0.000 1.151 225 P CA 1.107 64.114 63.100 -0.154 0.000 0.849 225 P CB -0.563 31.190 31.700 0.088 0.000 0.787 226 P HA 0.134 nan 4.420 nan 0.000 0.241 226 P C -0.736 176.385 177.300 -0.298 0.000 1.780 226 P CA -0.344 62.567 63.100 -0.315 0.000 1.111 226 P CB -0.797 30.816 31.700 -0.145 0.000 1.852 227 F N 2.001 121.863 119.950 -0.146 0.000 2.541 227 F HA 0.081 4.608 4.527 0.000 0.000 0.378 227 F C 1.167 176.852 175.800 -0.192 0.000 1.068 227 F CA 0.128 57.996 58.000 -0.221 0.000 1.199 227 F CB 0.232 39.199 39.000 -0.055 0.000 1.091 227 F HN 0.094 nan 8.300 nan 0.000 0.555 228 L N 4.689 125.732 121.223 -0.300 0.000 2.397 228 L HA 0.181 4.521 4.340 0.000 0.000 0.263 228 L C -0.923 176.067 176.870 0.201 0.000 1.136 228 L CA -0.312 54.519 54.840 -0.016 0.000 1.019 228 L CB -0.154 41.912 42.059 0.012 0.000 1.352 228 L HN 0.643 nan 8.230 nan 0.000 0.420 229 W N 5.593 126.946 121.300 0.088 0.000 2.532 229 W HA 0.442 5.102 4.660 0.000 0.000 0.321 229 W C 0.422 177.015 176.519 0.122 0.000 1.037 229 W CA -0.874 56.538 57.345 0.111 0.000 1.220 229 W CB 1.181 30.707 29.460 0.111 0.000 1.361 229 W HN 0.269 nan 8.180 nan 0.000 0.468 230 M N 5.419 124.807 119.600 -0.353 0.000 2.545 230 M HA -0.237 4.243 4.480 0.000 0.000 0.192 230 M C 1.070 177.221 176.300 -0.250 0.000 0.512 230 M CA 1.923 56.925 55.300 -0.498 0.000 0.508 230 M CB -2.451 29.488 32.600 -1.103 0.000 1.844 230 M HN 1.440 nan 8.290 nan 0.000 0.756 231 G N -1.605 107.109 108.800 -0.144 0.000 2.141 231 G HA2 -0.265 3.695 3.960 0.000 0.000 0.231 231 G HA3 -0.265 3.695 3.960 0.000 0.000 0.231 231 G C -0.347 174.422 174.900 -0.218 0.000 0.984 231 G CA 0.351 45.338 45.100 -0.189 0.000 0.660 231 G HN 0.579 nan 8.290 nan 0.000 0.525 232 Y N -0.577 119.795 120.300 0.120 0.000 2.662 232 Y HA 0.755 5.305 4.550 0.000 0.000 0.335 232 Y C 0.366 176.366 175.900 0.166 0.000 1.066 232 Y CA -1.344 56.858 58.100 0.170 0.000 1.116 232 Y CB 1.169 39.691 38.460 0.104 0.000 1.308 232 Y HN 0.064 nan 8.280 nan 0.000 0.502 233 E N 1.278 121.703 120.200 0.374 0.000 2.158 233 E HA 0.553 4.903 4.350 0.000 0.000 0.271 233 E C -1.673 175.050 176.600 0.204 0.000 0.911 233 E CA -0.527 55.985 56.400 0.187 0.000 0.767 233 E CB 1.145 30.898 29.700 0.088 0.000 1.120 233 E HN 0.417 nan 8.360 nan 0.000 0.405 234 L N 3.881 125.202 121.223 0.163 0.000 2.324 234 L HA 0.435 4.775 4.340 0.000 0.000 0.274 234 L C -0.399 176.594 176.870 0.205 0.000 1.012 234 L CA -0.674 54.322 54.840 0.260 0.000 0.859 234 L CB 0.662 42.946 42.059 0.376 0.000 1.224 234 L HN 0.507 nan 8.230 nan 0.000 0.429 235 H N 3.399 122.619 119.070 0.249 0.000 2.505 235 H HA 0.199 4.755 4.556 0.000 0.000 0.355 235 H C -1.363 174.099 175.328 0.222 0.000 1.179 235 H CA -1.308 54.856 56.048 0.194 0.000 1.343 235 H CB 1.118 30.939 29.762 0.099 0.000 1.501 235 H HN 0.367 nan 8.280 nan 0.000 0.569 236 P HA -0.188 nan 4.420 nan 0.000 0.223 236 P C 0.232 177.706 177.300 0.289 0.000 1.144 236 P CA 1.512 64.810 63.100 0.331 0.000 0.783 236 P CB 0.489 32.328 31.700 0.231 0.000 0.771 237 D N -2.386 118.101 120.400 0.146 0.000 2.469 237 D HA 0.128 4.768 4.640 0.000 0.000 0.240 237 D C 0.671 176.866 176.300 -0.176 0.000 1.087 237 D CA 0.301 54.321 54.000 0.032 0.000 0.876 237 D CB 0.406 41.218 40.800 0.021 0.000 1.160 237 D HN 0.067 nan 8.370 nan 0.000 0.497 238 K N -0.669 119.620 120.400 -0.184 0.000 2.213 238 K HA 0.587 4.907 4.320 0.000 0.000 0.254 238 K C -1.494 175.061 176.600 -0.076 0.000 1.062 238 K CA -0.843 55.290 56.287 -0.257 0.000 0.884 238 K CB 2.368 34.759 32.500 -0.181 0.000 1.437 238 K HN 0.170 nan 8.250 nan 0.000 0.464 239 W N -0.401 120.815 121.300 -0.139 0.000 3.419 239 W HA 0.540 5.200 4.660 0.000 0.000 0.298 239 W C -1.249 175.301 176.519 0.052 0.000 1.260 239 W CA -0.747 56.582 57.345 -0.028 0.000 1.199 239 W CB 0.318 29.711 29.460 -0.112 0.000 1.349 239 W HN 0.706 nan 8.180 nan 0.000 0.557 240 T N -0.791 113.953 114.554 0.317 0.000 2.626 240 T HA 0.753 5.103 4.350 0.000 0.000 0.279 240 T C -0.122 174.873 174.700 0.490 0.000 0.983 240 T CA -0.192 62.007 62.100 0.165 0.000 1.059 240 T CB 1.195 70.121 68.868 0.097 0.000 1.396 240 T HN 1.039 nan 8.240 nan 0.000 0.519 241 V N -1.290 118.836 119.914 0.354 0.000 3.096 241 V HA 0.592 4.712 4.120 0.000 0.000 0.319 241 V C 0.164 176.419 176.094 0.268 0.000 1.082 241 V CA -1.187 61.332 62.300 0.364 0.000 1.022 241 V CB 0.709 32.719 31.823 0.311 0.000 1.103 241 V HN 1.017 nan 8.190 nan 0.000 0.455 242 Q N 1.381 121.308 119.800 0.211 0.000 2.394 242 Q HA 0.286 4.626 4.340 0.000 0.000 0.248 242 Q C -2.182 173.910 176.000 0.153 0.000 0.992 242 Q CA -1.600 54.294 55.803 0.152 0.000 0.888 242 Q CB 0.556 29.345 28.738 0.085 0.000 1.257 242 Q HN 0.639 nan 8.270 nan 0.000 0.462 243 P HA -0.173 nan 4.420 nan 0.000 0.235 243 P C -0.594 176.759 177.300 0.087 0.000 1.068 243 P CA 0.808 63.964 63.100 0.093 0.000 0.934 243 P CB -0.290 31.446 31.700 0.060 0.000 0.863 244 I N 5.420 126.057 120.570 0.112 0.000 2.268 244 I HA -0.009 4.161 4.170 0.000 0.000 0.298 244 I C -0.196 175.941 176.117 0.032 0.000 1.185 244 I CA -0.393 60.963 61.300 0.093 0.000 1.548 244 I CB 0.058 38.129 38.000 0.119 0.000 1.492 244 I HN -0.035 nan 8.210 nan 0.000 0.711 245 V N 7.462 127.391 119.914 0.025 0.000 2.408 245 V HA 0.211 4.331 4.120 0.000 0.000 0.267 245 V C 0.041 176.143 176.094 0.013 0.000 1.047 245 V CA -0.602 61.705 62.300 0.013 0.000 0.937 245 V CB 0.965 32.792 31.823 0.007 0.000 0.999 245 V HN 0.392 nan 8.190 nan 0.000 0.472 246 L N 8.989 130.223 121.223 0.017 0.000 2.265 246 L HA 0.585 4.925 4.340 0.000 0.000 0.289 246 L C -1.730 175.179 176.870 0.064 0.000 1.033 246 L CA -1.379 53.486 54.840 0.042 0.000 0.814 246 L CB 1.380 43.458 42.059 0.031 0.000 1.203 246 L HN 0.530 nan 8.230 nan 0.000 0.423 247 P HA 0.182 nan 4.420 nan 0.000 0.276 247 P C -1.066 176.275 177.300 0.069 0.000 1.235 247 P CA -0.351 62.775 63.100 0.042 0.000 0.772 247 P CB 1.121 32.822 31.700 0.003 0.000 0.871 248 E N 3.256 123.445 120.200 -0.018 0.000 2.113 248 E HA 0.359 4.709 4.350 0.000 0.000 0.273 248 E C -0.603 175.833 176.600 -0.273 0.000 0.924 248 E CA -0.617 55.761 56.400 -0.036 0.000 0.764 248 E CB 0.750 30.479 29.700 0.048 0.000 1.104 248 E HN 0.438 nan 8.360 nan 0.000 0.406 249 K N 2.883 122.899 120.400 -0.641 0.000 2.495 249 K HA 0.411 4.731 4.320 0.000 0.000 0.268 249 K C -0.268 175.924 176.600 -0.680 0.000 1.008 249 K CA -0.731 55.147 56.287 -0.681 0.000 0.882 249 K CB 1.324 33.360 32.500 -0.773 0.000 1.443 249 K HN 0.300 nan 8.250 nan 0.000 0.447 250 D N 0.565 120.724 120.400 -0.402 0.000 2.110 250 D HA -0.109 4.531 4.640 0.000 0.000 0.202 250 D C 0.409 176.610 176.300 -0.166 0.000 0.975 250 D CA 0.786 54.674 54.000 -0.188 0.000 0.839 250 D CB -0.044 40.702 40.800 -0.090 0.000 0.996 250 D HN 0.519 nan 8.370 nan 0.000 0.464 251 S N -0.459 115.105 115.700 -0.227 0.000 2.451 251 S HA 0.445 4.915 4.470 0.000 0.000 0.301 251 S C -1.190 173.317 174.600 -0.154 0.000 1.116 251 S CA -0.990 57.166 58.200 -0.073 0.000 1.093 251 S CB 0.820 64.002 63.200 -0.030 0.000 1.017 251 S HN 0.243 nan 8.310 nan 0.000 0.482 252 W N 1.467 122.761 121.300 -0.010 0.000 2.689 252 W HA 0.617 5.277 4.660 0.000 0.000 0.340 252 W C 0.651 177.163 176.519 -0.010 0.000 1.060 252 W CA -0.633 56.706 57.345 -0.011 0.000 1.218 252 W CB 1.569 31.022 29.460 -0.011 0.000 1.410 252 W HN 0.866 nan 8.180 nan 0.000 0.528 253 T N -2.689 111.994 114.554 0.215 0.000 2.889 253 T HA 0.421 4.771 4.350 0.000 0.000 0.278 253 T C 0.511 175.275 174.700 0.105 0.000 0.995 253 T CA -0.704 61.467 62.100 0.119 0.000 0.966 253 T CB 0.971 69.879 68.868 0.067 0.000 1.237 253 T HN 0.216 nan 8.240 nan 0.000 0.591 254 V N 1.099 121.050 119.914 0.062 0.000 2.951 254 V HA -0.020 4.100 4.120 0.000 0.000 0.255 254 V C 2.747 178.865 176.094 0.040 0.000 1.088 254 V CA 1.125 63.450 62.300 0.042 0.000 1.109 254 V CB -1.197 30.640 31.823 0.024 0.000 0.724 254 V HN 0.890 nan 8.190 nan 0.000 0.471 255 N N 0.775 119.501 118.700 0.044 0.000 2.188 255 N HA -0.181 4.559 4.740 0.000 0.000 0.184 255 N C 1.481 177.024 175.510 0.055 0.000 1.018 255 N CA 1.510 54.582 53.050 0.037 0.000 0.858 255 N CB -0.000 38.504 38.487 0.029 0.000 0.989 255 N HN 0.454 nan 8.380 nan 0.000 0.426 256 D N 0.913 121.368 120.400 0.091 0.000 2.117 256 D HA -0.093 4.547 4.640 0.000 0.000 0.198 256 D C 1.988 178.371 176.300 0.137 0.000 0.982 256 D CA 0.616 54.709 54.000 0.154 0.000 0.828 256 D CB 0.035 41.001 40.800 0.276 0.000 0.967 256 D HN 0.317 nan 8.370 nan 0.000 0.464 257 I N 0.608 121.226 120.570 0.081 0.000 2.546 257 I HA -0.163 4.007 4.170 0.000 0.000 0.255 257 I C 2.705 178.826 176.117 0.005 0.000 1.163 257 I CA 0.375 61.677 61.300 0.003 0.000 1.457 257 I CB -1.489 36.490 38.000 -0.034 0.000 1.092 257 I HN 0.103 nan 8.210 nan 0.000 0.434 258 C N 1.542 120.855 119.300 0.022 0.000 2.446 258 C HA -0.106 4.354 4.460 0.000 0.000 0.277 258 C C 2.854 177.857 174.990 0.020 0.000 1.275 258 C CA 0.864 59.892 59.018 0.017 0.000 1.727 258 C CB -0.647 27.104 27.740 0.018 0.000 2.010 258 C HN 0.424 nan 8.230 nan 0.000 0.486 259 K N -0.123 120.296 120.400 0.032 0.000 2.296 259 K HA -0.040 4.280 4.320 0.000 0.000 0.200 259 K C 1.681 178.303 176.600 0.037 0.000 1.048 259 K CA 0.659 56.964 56.287 0.030 0.000 0.966 259 K CB -0.185 32.337 32.500 0.038 0.000 0.754 259 K HN 0.363 nan 8.250 nan 0.000 0.466 260 L N 0.447 121.697 121.223 0.044 0.000 2.095 260 L HA -0.035 4.305 4.340 0.000 0.000 0.204 260 L C 1.838 178.713 176.870 0.008 0.000 1.080 260 L CA 1.403 56.262 54.840 0.033 0.000 0.759 260 L CB -0.193 41.871 42.059 0.009 0.000 0.914 260 L HN -0.167 nan 8.230 nan 0.000 0.439 261 V N 0.082 119.996 119.914 -0.000 0.000 2.591 261 V HA -0.056 4.064 4.120 0.000 0.000 0.249 261 V C 2.483 178.596 176.094 0.032 0.000 1.053 261 V CA 1.496 63.797 62.300 0.001 0.000 1.068 261 V CB -0.920 30.896 31.823 -0.013 0.000 0.689 261 V HN 0.613 nan 8.190 nan 0.000 0.462 262 G N -0.760 108.063 108.800 0.039 0.000 2.448 262 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 262 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 262 G C 1.617 176.578 174.900 0.100 0.000 1.135 262 G CA 0.677 45.815 45.100 0.063 0.000 0.784 262 G HN 0.418 nan 8.290 nan 0.000 0.543 263 K N -0.474 119.971 120.400 0.075 0.000 2.031 263 K HA 0.124 4.444 4.320 0.000 0.000 0.205 263 K C 2.260 178.942 176.600 0.137 0.000 1.049 263 K CA 0.461 56.806 56.287 0.097 0.000 0.939 263 K CB -0.330 32.199 32.500 0.049 0.000 0.717 263 K HN 0.148 nan 8.250 nan 0.000 0.438 264 L N 1.498 122.765 121.223 0.073 0.000 2.191 264 L HA -0.114 4.226 4.340 0.000 0.000 0.212 264 L C 1.548 178.462 176.870 0.073 0.000 1.103 264 L CA 1.501 56.366 54.840 0.042 0.000 0.769 264 L CB -0.684 41.376 42.059 0.001 0.000 0.908 264 L HN 0.245 nan 8.230 nan 0.000 0.438 265 N N -1.800 116.966 118.700 0.109 0.000 2.300 265 N HA -0.208 4.532 4.740 0.000 0.000 0.179 265 N C 1.623 177.238 175.510 0.175 0.000 1.016 265 N CA 0.703 53.825 53.050 0.121 0.000 0.876 265 N CB -0.222 38.338 38.487 0.122 0.000 0.979 265 N HN 0.491 nan 8.380 nan 0.000 0.432 266 W N 1.632 122.954 121.300 0.037 0.000 2.436 266 W HA 0.032 4.692 4.660 0.000 0.000 0.284 266 W C 1.516 178.100 176.519 0.109 0.000 1.225 266 W CA 1.220 58.596 57.345 0.053 0.000 1.271 266 W CB 0.052 29.518 29.460 0.009 0.000 1.114 266 W HN -0.001 nan 8.180 nan 0.000 0.559 267 A N -0.021 122.880 122.820 0.135 0.000 2.067 267 A HA -0.078 4.242 4.320 0.000 0.000 0.217 267 A C 1.968 179.660 177.584 0.181 0.000 1.156 267 A CA 1.460 53.579 52.037 0.137 0.000 0.683 267 A CB -0.802 18.189 19.000 -0.015 0.000 0.808 267 A HN 0.178 nan 8.150 nan 0.000 0.455 268 S N -0.012 115.735 115.700 0.078 0.000 2.447 268 S HA -0.165 4.305 4.470 0.000 0.000 0.233 268 S C 1.882 176.483 174.600 0.002 0.000 1.006 268 S CA 1.194 59.418 58.200 0.041 0.000 0.957 268 S CB -0.242 62.966 63.200 0.014 0.000 0.773 268 S HN 0.719 nan 8.310 nan 0.000 0.507 269 Q N 0.010 119.804 119.800 -0.010 0.000 2.135 269 Q HA 0.000 4.340 4.340 0.000 0.000 0.204 269 Q C 1.936 177.980 176.000 0.073 0.000 0.981 269 Q CA 1.326 57.138 55.803 0.015 0.000 0.856 269 Q CB -0.019 28.710 28.738 -0.015 0.000 0.902 269 Q HN 0.551 nan 8.270 nan 0.000 0.425 270 I N -2.096 118.490 120.570 0.027 0.000 4.530 270 I HA 0.030 4.200 4.170 0.000 0.000 0.318 270 I C -0.555 175.426 176.117 -0.226 0.000 1.257 270 I CA -0.191 61.031 61.300 -0.129 0.000 1.301 270 I CB 0.935 38.778 38.000 -0.262 0.000 1.297 270 I HN -0.056 nan 8.210 nan 0.000 0.451 271 Y N 5.099 125.355 120.300 -0.075 0.000 2.486 271 Y HA 0.272 4.822 4.550 0.000 0.000 0.348 271 Y C -2.053 173.801 175.900 -0.076 0.000 1.000 271 Y CA -2.629 55.428 58.100 -0.070 0.000 1.253 271 Y CB -0.273 38.162 38.460 -0.041 0.000 1.140 271 Y HN 0.062 nan 8.280 nan 0.000 0.526 272 P HA 0.086 nan 4.420 nan 0.000 0.271 272 P C 0.742 178.047 177.300 0.008 0.000 1.216 272 P CA 0.615 63.701 63.100 -0.023 0.000 0.776 272 P CB 1.360 33.020 31.700 -0.067 0.000 0.881 273 G N 2.008 110.804 108.800 -0.007 0.000 2.162 273 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 273 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 273 G C 0.123 175.022 174.900 -0.002 0.000 0.976 273 G CA -0.325 44.774 45.100 -0.002 0.000 0.655 273 G HN 0.466 nan 8.290 nan 0.000 0.533 274 I N 1.200 121.773 120.570 0.004 0.000 2.741 274 I HA 0.229 4.399 4.170 0.000 0.000 0.288 274 I C 0.832 176.942 176.117 -0.012 0.000 1.192 274 I CA 0.538 61.836 61.300 -0.002 0.000 1.426 274 I CB 0.634 38.639 38.000 0.008 0.000 1.367 274 I HN 0.123 nan 8.210 nan 0.000 0.563 275 K N 5.329 125.715 120.400 -0.024 0.000 2.292 275 K HA 0.530 4.850 4.320 0.000 0.000 0.257 275 K C 0.392 176.969 176.600 -0.038 0.000 0.940 275 K CA -0.508 55.760 56.287 -0.032 0.000 0.811 275 K CB 2.284 34.758 32.500 -0.042 0.000 1.120 275 K HN 0.457 nan 8.250 nan 0.000 0.428 276 V N -0.601 119.291 119.914 -0.036 0.000 3.485 276 V HA 0.135 4.255 4.120 0.000 0.000 0.280 276 V C 1.815 177.880 176.094 -0.048 0.000 1.495 276 V CA -0.120 62.154 62.300 -0.042 0.000 1.018 276 V CB 0.070 31.877 31.823 -0.027 0.000 0.818 276 V HN 0.751 nan 8.190 nan 0.000 0.436 277 R N 0.682 121.153 120.500 -0.048 0.000 2.140 277 R HA -0.224 4.116 4.340 0.000 0.000 0.250 277 R C 2.319 178.586 176.300 -0.054 0.000 1.150 277 R CA 2.659 58.728 56.100 -0.051 0.000 0.966 277 R CB -0.109 30.158 30.300 -0.056 0.000 0.869 277 R HN 0.607 nan 8.270 nan 0.000 0.445 278 Q N -0.090 119.673 119.800 -0.061 0.000 2.187 278 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 278 Q C 2.266 178.220 176.000 -0.076 0.000 0.957 278 Q CA 0.902 56.666 55.803 -0.065 0.000 0.857 278 Q CB 0.004 28.702 28.738 -0.067 0.000 0.929 278 Q HN 0.417 nan 8.270 nan 0.000 0.453 279 L N -0.277 120.895 121.223 -0.086 0.000 2.156 279 L HA -0.136 4.204 4.340 0.000 0.000 0.208 279 L C 2.377 179.198 176.870 -0.082 0.000 1.095 279 L CA 0.615 55.391 54.840 -0.108 0.000 0.770 279 L CB -0.253 41.734 42.059 -0.120 0.000 0.914 279 L HN 0.202 nan 8.230 nan 0.000 0.439 280 C N -0.456 118.807 119.300 -0.061 0.000 2.448 280 C HA -0.085 4.375 4.460 0.000 0.000 0.280 280 C C 2.569 177.536 174.990 -0.039 0.000 1.398 280 C CA 0.290 59.282 59.018 -0.044 0.000 1.774 280 C CB -0.760 26.959 27.740 -0.036 0.000 1.888 280 C HN 0.396 nan 8.230 nan 0.000 0.519 281 K N 0.585 120.958 120.400 -0.044 0.000 2.362 281 K HA -0.014 4.306 4.320 0.000 0.000 0.200 281 K C 1.442 178.021 176.600 -0.035 0.000 1.046 281 K CA 0.702 56.967 56.287 -0.037 0.000 0.952 281 K CB -0.041 32.435 32.500 -0.040 0.000 0.753 281 K HN 0.359 nan 8.250 nan 0.000 0.466 282 L N 0.310 121.508 121.223 -0.042 0.000 2.478 282 L HA -0.048 4.292 4.340 0.000 0.000 0.223 282 L C 1.534 178.391 176.870 -0.022 0.000 1.140 282 L CA 1.143 55.961 54.840 -0.037 0.000 0.842 282 L CB -0.573 41.453 42.059 -0.055 0.000 0.953 282 L HN 0.127 nan 8.230 nan 0.000 0.452 283 L N -1.058 120.153 121.223 -0.020 0.000 2.509 283 L HA 0.095 4.435 4.340 0.000 0.000 0.222 283 L C 1.313 178.178 176.870 -0.007 0.000 1.123 283 L CA 0.402 55.236 54.840 -0.010 0.000 0.856 283 L CB -0.333 41.721 42.059 -0.009 0.000 0.985 283 L HN 0.033 nan 8.230 nan 0.000 0.456 284 R N 0.174 120.667 120.500 -0.011 0.000 2.491 284 R HA 0.419 4.759 4.340 0.000 0.000 0.283 284 R C 0.838 177.135 176.300 -0.005 0.000 1.072 284 R CA 0.626 56.721 56.100 -0.008 0.000 1.048 284 R CB 0.208 30.500 30.300 -0.012 0.000 0.983 284 R HN 0.238 nan 8.270 nan 0.000 0.450 285 G N 2.118 110.917 108.800 -0.002 0.000 2.207 285 G HA2 -0.327 3.633 3.960 0.000 0.000 0.216 285 G HA3 -0.327 3.633 3.960 0.000 0.000 0.216 285 G C 0.643 175.543 174.900 0.002 0.000 1.053 285 G CA 0.571 45.670 45.100 -0.000 0.000 0.764 285 G HN 0.994 nan 8.290 nan 0.000 0.495 286 T N -2.268 112.288 114.554 0.002 0.000 13.374 286 T HA -0.403 3.947 4.350 0.000 0.000 0.418 286 T C 1.023 175.726 174.700 0.004 0.000 1.442 286 T CA 2.623 64.725 62.100 0.004 0.000 2.353 286 T CB -1.339 67.531 68.868 0.004 0.000 2.797 286 T HN 2.037 nan 8.240 nan 0.000 0.579 287 K N 0.977 121.380 120.400 0.005 0.000 0.847 287 K HA 0.115 4.435 4.320 0.000 0.000 0.800 287 K C 0.239 176.843 176.600 0.006 0.000 2.306 287 K CA 0.931 57.222 56.287 0.006 0.000 1.514 287 K CB -1.635 30.869 32.500 0.007 0.000 2.737 287 K HN 1.823 nan 8.250 nan 0.000 0.219 288 A N 0.649 123.473 122.820 0.007 0.000 2.351 288 A HA 0.440 4.760 4.320 0.000 0.000 0.257 288 A C 1.591 179.180 177.584 0.010 0.000 1.087 288 A CA -0.109 51.932 52.037 0.006 0.000 0.798 288 A CB 0.131 19.134 19.000 0.004 0.000 1.033 288 A HN 0.457 nan 8.150 nan 0.000 0.488 289 L N 1.347 122.575 121.223 0.008 0.000 2.291 289 L HA -0.059 4.281 4.340 0.000 0.000 0.214 289 L C 2.573 179.452 176.870 0.015 0.000 1.120 289 L CA 2.011 56.859 54.840 0.012 0.000 0.799 289 L CB -0.748 41.315 42.059 0.008 0.000 0.925 289 L HN 0.914 nan 8.230 nan 0.000 0.446 290 T N -3.902 110.658 114.554 0.009 0.000 3.035 290 T HA -0.047 4.303 4.350 0.000 0.000 0.259 290 T C 0.907 175.614 174.700 0.013 0.000 1.078 290 T CA -0.141 61.964 62.100 0.008 0.000 1.132 290 T CB -0.203 68.665 68.868 -0.000 0.000 0.900 290 T HN 0.287 nan 8.240 nan 0.000 0.480 291 E N 1.846 122.054 120.200 0.015 0.000 2.376 291 E HA 0.219 4.569 4.350 0.000 0.000 0.266 291 E C -0.738 175.879 176.600 0.029 0.000 1.009 291 E CA -0.317 56.094 56.400 0.018 0.000 0.902 291 E CB 0.851 30.560 29.700 0.014 0.000 0.972 291 E HN 0.148 nan 8.360 nan 0.000 0.439 292 V N 6.519 126.452 119.914 0.032 0.000 2.555 292 V HA 0.176 4.296 4.120 0.000 0.000 0.286 292 V C 0.499 176.622 176.094 0.049 0.000 1.044 292 V CA 0.066 62.395 62.300 0.049 0.000 1.026 292 V CB 0.717 32.565 31.823 0.042 0.000 0.981 292 V HN 0.580 nan 8.190 nan 0.000 0.480 293 I N 7.209 127.819 120.570 0.066 0.000 2.465 293 I HA 0.586 4.756 4.170 0.000 0.000 0.291 293 I C -2.247 173.905 176.117 0.059 0.000 1.014 293 I CA -2.241 59.088 61.300 0.048 0.000 1.093 293 I CB 2.706 40.724 38.000 0.029 0.000 1.267 293 I HN 0.507 nan 8.210 nan 0.000 0.431 294 P HA 0.159 nan 4.420 nan 0.000 0.280 294 P C -0.933 176.368 177.300 0.002 0.000 1.244 294 P CA -0.451 62.672 63.100 0.038 0.000 0.784 294 P CB 1.192 32.908 31.700 0.027 0.000 0.913 295 L N 4.134 125.351 121.223 -0.010 0.000 2.407 295 L HA 0.116 4.456 4.340 0.000 0.000 0.282 295 L C 1.386 178.222 176.870 -0.057 0.000 1.110 295 L CA 0.611 55.400 54.840 -0.084 0.000 0.863 295 L CB -0.485 41.483 42.059 -0.153 0.000 1.207 295 L HN 0.496 nan 8.230 nan 0.000 0.454 296 T N -0.643 113.875 114.554 -0.059 0.000 2.802 296 T HA 0.064 4.414 4.350 0.000 0.000 0.305 296 T C 1.167 175.838 174.700 -0.049 0.000 1.053 296 T CA -0.444 61.630 62.100 -0.044 0.000 1.058 296 T CB 0.641 69.485 68.868 -0.041 0.000 0.988 296 T HN 0.651 nan 8.240 nan 0.000 0.539 297 E N 0.897 121.076 120.200 -0.035 0.000 2.070 297 E HA -0.214 4.136 4.350 0.000 0.000 0.197 297 E C 2.033 178.608 176.600 -0.042 0.000 1.004 297 E CA 1.919 58.298 56.400 -0.033 0.000 0.805 297 E CB -0.093 29.593 29.700 -0.024 0.000 0.744 297 E HN 0.803 nan 8.360 nan 0.000 0.451 298 E N 0.079 120.252 120.200 -0.044 0.000 2.274 298 E HA -0.085 4.265 4.350 0.000 0.000 0.194 298 E C 1.573 178.136 176.600 -0.062 0.000 0.996 298 E CA 0.902 57.273 56.400 -0.049 0.000 0.840 298 E CB 0.010 29.682 29.700 -0.046 0.000 0.772 298 E HN 0.257 nan 8.360 nan 0.000 0.491 299 A N 0.822 123.597 122.820 -0.074 0.000 2.021 299 A HA -0.054 4.266 4.320 0.000 0.000 0.216 299 A C 1.834 179.346 177.584 -0.119 0.000 1.163 299 A CA 0.556 52.532 52.037 -0.102 0.000 0.676 299 A CB 0.011 18.940 19.000 -0.119 0.000 0.818 299 A HN 0.021 nan 8.150 nan 0.000 0.453 300 E N -0.228 119.914 120.200 -0.096 0.000 2.152 300 E HA -0.096 4.254 4.350 0.000 0.000 0.192 300 E C 1.803 178.364 176.600 -0.065 0.000 0.983 300 E CA 0.430 56.779 56.400 -0.085 0.000 0.818 300 E CB -0.192 29.476 29.700 -0.052 0.000 0.758 300 E HN 0.446 nan 8.360 nan 0.000 0.467 301 L N 1.541 122.730 121.223 -0.056 0.000 2.027 301 L HA -0.132 4.208 4.340 0.000 0.000 0.206 301 L C 2.239 179.079 176.870 -0.051 0.000 1.074 301 L CA 1.769 56.582 54.840 -0.045 0.000 0.745 301 L CB -0.817 41.218 42.059 -0.041 0.000 0.898 301 L HN 0.129 nan 8.230 nan 0.000 0.433 302 E N -0.623 119.539 120.200 -0.064 0.000 2.077 302 E HA -0.233 4.117 4.350 0.000 0.000 0.193 302 E C 2.234 178.790 176.600 -0.075 0.000 0.989 302 E CA 0.902 57.262 56.400 -0.067 0.000 0.800 302 E CB -0.058 29.597 29.700 -0.075 0.000 0.746 302 E HN 0.363 nan 8.360 nan 0.000 0.452 303 L N 0.425 121.590 121.223 -0.098 0.000 2.141 303 L HA -0.065 4.275 4.340 0.000 0.000 0.209 303 L C 2.156 178.987 176.870 -0.065 0.000 1.094 303 L CA 1.952 56.726 54.840 -0.109 0.000 0.763 303 L CB -0.932 41.019 42.059 -0.179 0.000 0.908 303 L HN 0.182 nan 8.230 nan 0.000 0.437 304 A N -0.374 122.416 122.820 -0.049 0.000 1.929 304 A HA -0.178 4.142 4.320 0.000 0.000 0.216 304 A C 2.105 179.674 177.584 -0.025 0.000 1.176 304 A CA 1.194 53.216 52.037 -0.026 0.000 0.628 304 A CB -0.392 18.596 19.000 -0.020 0.000 0.816 304 A HN 0.539 nan 8.150 nan 0.000 0.444 305 E N -0.241 119.940 120.200 -0.031 0.000 2.150 305 E HA -0.139 4.211 4.350 0.000 0.000 0.193 305 E C 1.454 178.038 176.600 -0.027 0.000 0.985 305 E CA 0.934 57.319 56.400 -0.026 0.000 0.814 305 E CB -0.036 29.646 29.700 -0.030 0.000 0.752 305 E HN 0.505 nan 8.360 nan 0.000 0.466 306 N N 0.203 118.880 118.700 -0.039 0.000 2.376 306 N HA -0.054 4.686 4.740 0.000 0.000 0.177 306 N C 1.572 177.048 175.510 -0.057 0.000 1.024 306 N CA 0.548 53.569 53.050 -0.049 0.000 0.893 306 N CB 0.006 38.457 38.487 -0.060 0.000 0.980 306 N HN -0.034 nan 8.380 nan 0.000 0.439 307 R N 1.012 121.486 120.500 -0.043 0.000 2.115 307 R HA 0.062 4.402 4.340 0.000 0.000 0.230 307 R C 1.609 177.893 176.300 -0.027 0.000 1.111 307 R CA 0.915 56.994 56.100 -0.034 0.000 0.976 307 R CB 0.081 30.374 30.300 -0.011 0.000 0.870 307 R HN 0.177 nan 8.270 nan 0.000 0.445 308 E N 0.028 120.218 120.200 -0.016 0.000 2.152 308 E HA -0.112 4.238 4.350 0.000 0.000 0.192 308 E C 1.762 178.370 176.600 0.012 0.000 0.983 308 E CA 0.790 57.190 56.400 -0.001 0.000 0.818 308 E CB 0.098 29.799 29.700 0.001 0.000 0.758 308 E HN 0.325 nan 8.360 nan 0.000 0.467 309 I N 0.615 121.189 120.570 0.007 0.000 2.500 309 I HA -0.163 4.007 4.170 0.000 0.000 0.252 309 I C 2.423 178.584 176.117 0.074 0.000 1.142 309 I CA 0.714 62.047 61.300 0.055 0.000 1.451 309 I CB -0.934 37.100 38.000 0.057 0.000 1.093 309 I HN 0.076 nan 8.210 nan 0.000 0.430 310 L N 0.448 121.617 121.223 -0.089 0.000 2.201 310 L HA -0.086 4.254 4.340 0.000 0.000 0.212 310 L C 1.885 178.730 176.870 -0.041 0.000 1.105 310 L CA 0.938 55.635 54.840 -0.239 0.000 0.775 310 L CB -0.310 41.571 42.059 -0.298 0.000 0.913 310 L HN 0.121 nan 8.230 nan 0.000 0.440 311 K N 0.867 121.277 120.400 0.016 0.000 3.041 311 K HA 0.152 4.472 4.320 0.000 0.000 0.243 311 K C -0.527 176.115 176.600 0.071 0.000 1.167 311 K CA 0.100 56.412 56.287 0.041 0.000 1.235 311 K CB 0.101 32.613 32.500 0.021 0.000 1.205 311 K HN 0.158 nan 8.250 nan 0.000 0.448 312 E N 1.285 121.565 120.200 0.132 0.000 2.290 312 E HA 0.247 4.597 4.350 0.000 0.000 0.274 312 E C -2.670 174.005 176.600 0.124 0.000 0.889 312 E CA -2.135 54.330 56.400 0.108 0.000 0.760 312 E CB 2.062 31.818 29.700 0.094 0.000 1.206 312 E HN 0.101 nan 8.360 nan 0.000 0.419 313 P HA 0.110 nan 4.420 nan 0.000 0.276 313 P C -0.799 176.406 177.300 -0.159 0.000 1.243 313 P CA -0.296 62.782 63.100 -0.036 0.000 0.768 313 P CB 0.721 32.389 31.700 -0.053 0.000 0.856 314 V N 1.485 121.237 119.914 -0.270 0.000 2.789 314 V HA 0.622 4.742 4.120 0.000 0.000 0.311 314 V C -0.165 175.730 176.094 -0.330 0.000 1.073 314 V CA -0.915 61.173 62.300 -0.353 0.000 0.921 314 V CB 1.469 33.016 31.823 -0.461 0.000 1.009 314 V HN 0.796 nan 8.190 nan 0.000 0.426 315 H N 1.333 120.178 119.070 -0.376 0.000 2.771 315 H HA 0.939 5.495 4.556 0.000 0.000 0.367 315 H C -0.236 174.705 175.328 -0.645 0.000 1.172 315 H CA -0.956 54.809 56.048 -0.472 0.000 1.186 315 H CB 2.670 32.254 29.762 -0.296 0.000 1.790 315 H HN 1.001 nan 8.280 nan 0.000 0.556 316 G N 0.842 109.069 108.800 -0.954 0.000 2.566 316 G HA2 0.414 4.374 3.960 0.000 0.000 0.311 316 G HA3 0.414 4.374 3.960 0.000 0.000 0.311 316 G C -0.964 173.487 174.900 -0.748 0.000 1.322 316 G CA -0.625 43.881 45.100 -0.990 0.000 0.969 316 G HN 0.554 nan 8.290 nan 0.000 0.490 317 V N 1.817 121.553 119.914 -0.298 0.000 3.083 317 V HA 0.530 4.650 4.120 0.000 0.000 0.306 317 V C -0.095 176.144 176.094 0.242 0.000 1.077 317 V CA -0.578 61.653 62.300 -0.114 0.000 1.073 317 V CB 0.846 32.616 31.823 -0.090 0.000 1.081 317 V HN 0.582 nan 8.190 nan 0.000 0.474 318 Y N 2.191 122.634 120.300 0.238 0.000 2.314 318 Y HA 0.331 4.881 4.550 0.000 0.000 0.359 318 Y C -0.051 176.016 175.900 0.278 0.000 1.360 318 Y CA -0.240 58.025 58.100 0.275 0.000 1.697 318 Y CB 0.080 38.640 38.460 0.166 0.000 1.630 318 Y HN 0.630 nan 8.280 nan 0.000 0.583 319 Y N 1.161 121.653 120.300 0.320 0.000 2.323 319 Y HA 0.341 4.891 4.550 0.000 0.000 0.331 319 Y C -0.877 175.088 175.900 0.109 0.000 1.092 319 Y CA -1.615 56.603 58.100 0.197 0.000 1.150 319 Y CB 0.916 39.571 38.460 0.324 0.000 1.200 319 Y HN 0.481 nan 8.280 nan 0.000 0.472 320 D N 8.071 128.189 120.400 -0.470 0.000 2.454 320 D HA 0.326 4.966 4.640 0.000 0.000 0.247 320 D C -2.159 173.713 176.300 -0.713 0.000 1.129 320 D CA -2.448 51.265 54.000 -0.478 0.000 0.877 320 D CB 1.742 42.433 40.800 -0.182 0.000 1.082 320 D HN 0.354 nan 8.370 nan 0.000 0.537 321 P HA -0.085 nan 4.420 nan 0.000 0.236 321 P C 0.638 177.827 177.300 -0.184 0.000 1.172 321 P CA 0.578 63.406 63.100 -0.453 0.000 0.759 321 P CB 0.206 31.745 31.700 -0.269 0.000 0.843 322 S N -2.428 113.172 115.700 -0.167 0.000 2.511 322 S HA 0.174 4.644 4.470 0.000 0.000 0.214 322 S C 0.792 175.345 174.600 -0.079 0.000 0.997 322 S CA -0.176 57.968 58.200 -0.094 0.000 0.908 322 S CB 0.042 63.196 63.200 -0.076 0.000 0.803 322 S HN 0.097 nan 8.310 nan 0.000 0.504 323 K N 2.405 122.746 120.400 -0.098 0.000 2.156 323 K HA 0.391 4.711 4.320 0.000 0.000 0.254 323 K C -1.114 175.441 176.600 -0.075 0.000 0.950 323 K CA -0.799 55.441 56.287 -0.078 0.000 0.849 323 K CB 0.932 33.387 32.500 -0.075 0.000 1.100 323 K HN 0.259 nan 8.250 nan 0.000 0.434 324 D N 1.182 121.534 120.400 -0.080 0.000 2.387 324 D HA 0.173 4.813 4.640 0.000 0.000 0.251 324 D C -0.592 175.607 176.300 -0.168 0.000 1.141 324 D CA -0.654 53.288 54.000 -0.097 0.000 0.987 324 D CB 0.619 41.362 40.800 -0.095 0.000 1.116 324 D HN 0.075 nan 8.370 nan 0.000 0.491 325 L N 0.421 121.509 121.223 -0.224 0.000 2.264 325 L HA 0.353 4.693 4.340 0.000 0.000 0.289 325 L C -0.791 175.811 176.870 -0.446 0.000 1.044 325 L CA -0.491 54.125 54.840 -0.372 0.000 0.807 325 L CB 0.589 42.395 42.059 -0.422 0.000 1.192 325 L HN 0.312 nan 8.230 nan 0.000 0.425 326 I N 4.130 124.354 120.570 -0.577 0.000 2.530 326 I HA 0.677 4.847 4.170 0.000 0.000 0.297 326 I C -0.096 175.604 176.117 -0.695 0.000 1.011 326 I CA -0.668 60.210 61.300 -0.702 0.000 1.107 326 I CB 1.617 39.020 38.000 -0.996 0.000 1.285 326 I HN 0.660 nan 8.210 nan 0.000 0.436 327 A N 4.978 127.485 122.820 -0.522 0.000 2.371 327 A HA 0.698 5.018 4.320 0.000 0.000 0.311 327 A C -0.744 176.872 177.584 0.053 0.000 1.068 327 A CA -0.545 51.359 52.037 -0.221 0.000 0.744 327 A CB 1.946 20.737 19.000 -0.349 0.000 1.239 327 A HN 0.795 nan 8.150 nan 0.000 0.435 328 E N 2.105 122.462 120.200 0.261 0.000 2.248 328 E HA 0.682 5.032 4.350 0.000 0.000 0.267 328 E C -1.544 175.236 176.600 0.299 0.000 0.877 328 E CA -0.506 56.073 56.400 0.298 0.000 0.759 328 E CB 1.413 31.331 29.700 0.363 0.000 1.182 328 E HN 0.619 nan 8.360 nan 0.000 0.418 329 I N 2.993 123.714 120.570 0.253 0.000 2.530 329 I HA 0.340 4.510 4.170 0.000 0.000 0.297 329 I C -0.612 175.658 176.117 0.255 0.000 1.011 329 I CA -0.840 60.621 61.300 0.269 0.000 1.107 329 I CB 1.970 40.080 38.000 0.184 0.000 1.285 329 I HN 0.488 nan 8.210 nan 0.000 0.436 330 Q N 3.914 123.884 119.800 0.284 0.000 2.413 330 Q HA 0.461 4.801 4.340 0.000 0.000 0.276 330 Q C -0.953 175.166 176.000 0.198 0.000 1.099 330 Q CA -0.869 55.056 55.803 0.203 0.000 0.814 330 Q CB 2.535 31.340 28.738 0.112 0.000 1.379 330 Q HN 0.329 nan 8.270 nan 0.000 0.436 331 K N 1.671 122.081 120.400 0.016 0.000 2.211 331 K HA 0.232 4.552 4.320 0.000 0.000 0.275 331 K C -0.090 176.358 176.600 -0.253 0.000 1.024 331 K CA -0.220 55.854 56.287 -0.355 0.000 0.887 331 K CB 0.768 33.008 32.500 -0.434 0.000 1.084 331 K HN 0.580 nan 8.250 nan 0.000 0.463 332 Q N 1.783 121.390 119.800 -0.322 0.000 1.957 332 Q HA 0.169 4.509 4.340 0.000 0.000 0.251 332 Q C 1.011 176.893 176.000 -0.197 0.000 0.973 332 Q CA 0.607 56.296 55.803 -0.190 0.000 0.862 332 Q CB -0.260 28.392 28.738 -0.145 0.000 0.962 332 Q HN 0.805 nan 8.270 nan 0.000 0.473 333 G N 0.000 108.671 108.800 -0.216 0.000 3.122 333 G HA2 0.307 4.267 3.960 0.000 0.000 0.180 333 G HA3 0.307 4.267 3.960 0.000 0.000 0.180 333 G C -0.703 174.064 174.900 -0.223 0.000 1.279 333 G CA -0.448 44.549 45.100 -0.172 0.000 0.987 333 G HN 0.086 nan 8.290 nan 0.000 0.589 334 Q N 0.060 119.769 119.800 -0.153 0.000 2.288 334 Q HA 0.401 4.741 4.340 0.000 0.000 0.258 334 Q C 0.947 176.873 176.000 -0.123 0.000 0.957 334 Q CA 0.704 56.428 55.803 -0.130 0.000 0.919 334 Q CB 1.251 29.945 28.738 -0.074 0.000 1.185 334 Q HN 1.152 nan 8.270 nan 0.000 0.408 335 G N 2.977 111.714 108.800 -0.106 0.000 2.168 335 G HA2 -0.312 3.648 3.960 0.000 0.000 0.263 335 G HA3 -0.312 3.648 3.960 0.000 0.000 0.263 335 G C 0.058 174.929 174.900 -0.049 0.000 0.977 335 G CA 0.259 45.363 45.100 0.007 0.000 0.659 335 G HN 0.572 nan 8.290 nan 0.000 0.533 336 Q N -1.136 118.486 119.800 -0.296 0.000 2.333 336 Q HA 0.615 4.955 4.340 0.000 0.000 0.267 336 Q C -0.960 174.730 176.000 -0.516 0.000 1.012 336 Q CA -0.768 54.887 55.803 -0.247 0.000 0.824 336 Q CB 1.292 29.929 28.738 -0.168 0.000 1.290 336 Q HN 0.375 nan 8.270 nan 0.000 0.449 337 W N 0.747 122.104 121.300 0.096 0.000 2.936 337 W HA 0.506 5.166 4.660 0.000 0.000 0.338 337 W C -0.603 176.010 176.519 0.156 0.000 1.121 337 W CA -0.601 56.830 57.345 0.143 0.000 1.209 337 W CB 1.886 31.477 29.460 0.218 0.000 1.420 337 W HN 0.422 nan 8.180 nan 0.000 0.516 338 T N -0.114 114.641 114.554 0.334 0.000 2.861 338 T HA 0.739 5.089 4.350 0.000 0.000 0.287 338 T C -1.181 173.687 174.700 0.280 0.000 1.003 338 T CA -0.776 61.447 62.100 0.204 0.000 0.977 338 T CB 1.337 70.247 68.868 0.071 0.000 0.996 338 T HN 0.417 nan 8.240 nan 0.000 0.448 339 Y N 0.096 120.493 120.300 0.163 0.000 2.605 339 Y HA 0.818 5.368 4.550 0.000 0.000 0.343 339 Y C -0.849 175.128 175.900 0.129 0.000 1.036 339 Y CA -1.339 56.853 58.100 0.153 0.000 1.065 339 Y CB 1.767 40.323 38.460 0.159 0.000 1.288 339 Y HN 0.768 nan 8.280 nan 0.000 0.481 340 Q N 2.173 122.171 119.800 0.330 0.000 2.284 340 Q HA 0.470 4.810 4.340 0.000 0.000 0.269 340 Q C -2.002 174.204 176.000 0.344 0.000 1.026 340 Q CA -0.676 55.267 55.803 0.234 0.000 0.831 340 Q CB 2.510 31.302 28.738 0.089 0.000 1.322 340 Q HN 0.921 nan 8.270 nan 0.000 0.419 341 I N 4.086 124.829 120.570 0.289 0.000 2.312 341 I HA 0.444 4.614 4.170 0.000 0.000 0.290 341 I C -0.618 175.572 176.117 0.123 0.000 1.008 341 I CA -0.703 60.680 61.300 0.138 0.000 1.226 341 I CB 0.366 38.436 38.000 0.117 0.000 1.371 341 I HN 0.630 nan 8.210 nan 0.000 0.468 342 Y N 3.114 123.344 120.300 -0.117 0.000 2.669 342 Y HA 0.620 5.170 4.550 0.000 0.000 0.335 342 Y C 0.053 175.863 175.900 -0.149 0.000 1.116 342 Y CA -1.021 57.007 58.100 -0.119 0.000 1.081 342 Y CB 1.152 39.559 38.460 -0.090 0.000 1.297 342 Y HN 0.431 nan 8.280 nan 0.000 0.484 343 Q N -0.360 119.445 119.800 0.009 0.000 2.313 343 Q HA 0.314 4.654 4.340 0.000 0.000 0.263 343 Q C -0.891 175.148 176.000 0.064 0.000 0.820 343 Q CA 0.158 55.913 55.803 -0.080 0.000 0.974 343 Q CB 1.464 30.159 28.738 -0.072 0.000 1.156 343 Q HN 0.773 nan 8.270 nan 0.000 0.517 344 E N -0.236 120.084 120.200 0.201 0.000 2.275 344 E HA 0.179 4.529 4.350 0.000 0.000 0.270 344 E C -2.242 174.458 176.600 0.167 0.000 0.882 344 E CA -2.061 54.441 56.400 0.170 0.000 0.758 344 E CB 2.116 31.857 29.700 0.069 0.000 1.195 344 E HN -0.222 nan 8.360 nan 0.000 0.419 345 P HA -0.286 nan 4.420 nan 0.000 0.223 345 P C 0.591 177.822 177.300 -0.116 0.000 0.913 345 P CA 1.716 64.785 63.100 -0.051 0.000 1.058 345 P CB -0.005 31.707 31.700 0.021 0.000 0.714 346 F N -1.181 118.683 119.950 -0.145 0.000 2.749 346 F HA 0.186 4.713 4.527 0.000 0.000 0.300 346 F C 0.704 176.438 175.800 -0.110 0.000 1.103 346 F CA 0.099 58.017 58.000 -0.137 0.000 1.342 346 F CB 0.123 39.072 39.000 -0.086 0.000 1.098 346 F HN -0.276 nan 8.300 nan 0.000 0.586 347 K N 2.035 122.405 120.400 -0.050 0.000 2.206 347 K HA 0.124 4.444 4.320 0.000 0.000 0.268 347 K C -0.435 176.109 176.600 -0.094 0.000 1.111 347 K CA -0.419 55.806 56.287 -0.104 0.000 0.955 347 K CB 0.004 32.470 32.500 -0.057 0.000 1.406 347 K HN 0.009 nan 8.250 nan 0.000 0.427 348 N N 1.987 120.577 118.700 -0.184 0.000 2.467 348 N HA 0.194 4.934 4.740 0.000 0.000 0.262 348 N C 0.769 176.247 175.510 -0.055 0.000 1.234 348 N CA -0.043 52.946 53.050 -0.100 0.000 0.952 348 N CB 1.091 39.460 38.487 -0.196 0.000 1.158 348 N HN 0.344 nan 8.380 nan 0.000 0.463 349 L N 0.217 121.491 121.223 0.086 0.000 2.435 349 L HA 0.307 4.647 4.340 0.000 0.000 0.195 349 L C 0.745 177.858 176.870 0.404 0.000 1.072 349 L CA 0.524 55.524 54.840 0.266 0.000 0.833 349 L CB 0.172 42.414 42.059 0.305 0.000 1.081 349 L HN 0.407 nan 8.230 nan 0.000 0.485 350 K N -0.304 120.302 120.400 0.343 0.000 2.527 350 K HA 0.403 4.723 4.320 0.000 0.000 0.260 350 K C -1.261 175.436 176.600 0.161 0.000 0.937 350 K CA -0.407 56.080 56.287 0.334 0.000 0.826 350 K CB 2.201 34.951 32.500 0.416 0.000 1.359 350 K HN 0.058 nan 8.250 nan 0.000 0.434 351 T N -0.963 113.611 114.554 0.033 0.000 2.926 351 T HA 0.896 5.246 4.350 0.000 0.000 0.289 351 T C 0.105 174.598 174.700 -0.346 0.000 1.054 351 T CA -0.678 61.349 62.100 -0.121 0.000 1.015 351 T CB 1.947 70.740 68.868 -0.124 0.000 1.167 351 T HN 0.671 nan 8.240 nan 0.000 0.526 352 G N -0.168 108.166 108.800 -0.777 0.000 2.645 352 G HA2 0.622 4.582 3.960 0.000 0.000 0.292 352 G HA3 0.622 4.582 3.960 0.000 0.000 0.292 352 G C -1.998 172.485 174.900 -0.697 0.000 1.415 352 G CA -0.958 43.491 45.100 -1.084 0.000 0.785 352 G HN 0.803 nan 8.290 nan 0.000 0.483 353 K N -0.597 119.657 120.400 -0.244 0.000 2.535 353 K HA 0.493 4.813 4.320 0.000 0.000 0.251 353 K C -2.370 174.445 176.600 0.359 0.000 0.942 353 K CA -0.797 55.548 56.287 0.097 0.000 0.798 353 K CB 2.590 35.114 32.500 0.040 0.000 1.267 353 K HN 0.527 nan 8.250 nan 0.000 0.434 354 Y N 2.591 123.069 120.300 0.297 0.000 2.338 354 Y HA 0.538 5.088 4.550 0.000 0.000 0.328 354 Y C -0.573 175.498 175.900 0.286 0.000 0.965 354 Y CA -0.240 58.029 58.100 0.283 0.000 1.208 354 Y CB 1.796 40.414 38.460 0.264 0.000 1.132 354 Y HN 0.684 nan 8.280 nan 0.000 0.469 355 A N 5.820 128.476 122.820 -0.273 0.000 2.585 355 A HA 0.280 4.600 4.320 0.000 0.000 0.266 355 A C 0.545 177.941 177.584 -0.314 0.000 1.178 355 A CA -0.488 51.418 52.037 -0.218 0.000 0.966 355 A CB 0.109 19.062 19.000 -0.079 0.000 1.170 355 A HN 0.618 nan 8.150 nan 0.000 0.558 356 R N 0.784 120.926 120.500 -0.598 0.000 2.489 356 R HA 0.175 4.515 4.340 0.000 0.000 0.287 356 R C -0.638 175.542 176.300 -0.201 0.000 1.053 356 R CA 0.173 56.064 56.100 -0.347 0.000 1.036 356 R CB 0.241 30.353 30.300 -0.313 0.000 0.966 356 R HN 0.231 nan 8.270 nan 0.000 0.432 357 M N 5.644 125.197 119.600 -0.078 0.000 2.385 357 M HA 0.167 4.647 4.480 0.000 0.000 0.346 357 M C -0.535 175.771 176.300 0.010 0.000 1.180 357 M CA -0.328 54.963 55.300 -0.016 0.000 1.154 357 M CB 0.511 33.102 32.600 -0.014 0.000 1.251 357 M HN 0.450 nan 8.290 nan 0.000 0.430 358 R N 2.149 122.675 120.500 0.043 0.000 2.196 358 R HA 0.548 4.888 4.340 0.000 0.000 0.340 358 R C -0.066 176.272 176.300 0.063 0.000 1.043 358 R CA 0.470 56.607 56.100 0.061 0.000 0.883 358 R CB 0.398 30.756 30.300 0.098 0.000 1.078 358 R HN 0.904 nan 8.270 nan 0.000 0.462 359 G N 1.715 110.538 108.800 0.039 0.000 2.570 359 G HA2 -0.106 3.854 3.960 0.000 0.000 0.686 359 G HA3 -0.106 3.854 3.960 0.000 0.000 0.686 359 G C -0.072 174.804 174.900 -0.041 0.000 1.257 359 G CA -0.323 44.792 45.100 0.026 0.000 0.846 359 G HN 0.619 nan 8.290 nan 0.000 0.627 360 A N -0.133 122.595 122.820 -0.154 0.000 1.997 360 A HA 0.409 4.729 4.320 0.000 0.000 0.212 360 A C 0.883 178.218 177.584 -0.414 0.000 1.178 360 A CA 1.525 53.343 52.037 -0.365 0.000 0.698 360 A CB 0.000 18.630 19.000 -0.617 0.000 0.842 360 A HN 1.029 nan 8.150 nan 0.000 0.458 361 H N 0.941 120.057 119.070 0.077 0.000 2.791 361 H HA 0.392 4.948 4.556 0.000 0.000 0.272 361 H C -0.625 174.758 175.328 0.091 0.000 1.188 361 H CA 0.120 56.214 56.048 0.076 0.000 1.436 361 H CB 0.172 29.975 29.762 0.069 0.000 1.467 361 H HN 0.343 nan 8.280 nan 0.000 0.500 362 T N 0.873 115.525 114.554 0.162 0.000 2.804 362 T HA 0.520 4.870 4.350 0.000 0.000 0.272 362 T C 0.424 175.179 174.700 0.092 0.000 0.986 362 T CA -1.045 61.130 62.100 0.124 0.000 0.999 362 T CB 1.750 70.682 68.868 0.107 0.000 1.307 362 T HN 0.606 nan 8.240 nan 0.000 0.586 363 N N -1.570 117.151 118.700 0.034 0.000 2.774 363 N HA 0.412 5.152 4.740 0.000 0.000 0.264 363 N C -0.257 175.264 175.510 0.020 0.000 1.415 363 N CA -0.838 52.210 53.050 -0.003 0.000 0.815 363 N CB 0.552 38.952 38.487 -0.144 0.000 1.514 363 N HN 0.319 nan 8.380 nan 0.000 0.523 364 D N -0.278 120.164 120.400 0.071 0.000 2.097 364 D HA -0.105 4.535 4.640 0.000 0.000 0.195 364 D C 1.735 178.019 176.300 -0.028 0.000 0.989 364 D CA 1.149 55.284 54.000 0.224 0.000 0.827 364 D CB -0.223 40.728 40.800 0.253 0.000 0.966 364 D HN 0.333 nan 8.370 nan 0.000 0.456 365 V N 1.131 120.870 119.914 -0.291 0.000 2.255 365 V HA -0.261 3.859 4.120 0.000 0.000 0.247 365 V C 2.410 178.251 176.094 -0.421 0.000 1.051 365 V CA 1.672 63.679 62.300 -0.488 0.000 1.018 365 V CB -0.401 30.837 31.823 -0.974 0.000 0.641 365 V HN 0.174 nan 8.190 nan 0.000 0.445 366 K N -0.478 119.681 120.400 -0.403 0.000 2.074 366 K HA -0.255 4.065 4.320 0.000 0.000 0.209 366 K C 2.297 178.811 176.600 -0.143 0.000 1.048 366 K CA 1.856 58.046 56.287 -0.162 0.000 0.926 366 K CB -0.213 32.247 32.500 -0.066 0.000 0.713 366 K HN 0.560 nan 8.250 nan 0.000 0.444 367 Q N 0.341 120.055 119.800 -0.144 0.000 2.172 367 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 367 Q C 2.180 177.757 176.000 -0.704 0.000 0.964 367 Q CA 0.606 56.313 55.803 -0.160 0.000 0.855 367 Q CB 0.055 28.923 28.738 0.215 0.000 0.918 367 Q HN 0.343 nan 8.270 nan 0.000 0.444 368 L N 0.502 121.171 121.223 -0.923 0.000 2.056 368 L HA -0.167 4.173 4.340 0.000 0.000 0.207 368 L C 1.960 178.339 176.870 -0.818 0.000 1.078 368 L CA 1.402 55.539 54.840 -1.171 0.000 0.749 368 L CB -0.433 41.116 42.059 -0.849 0.000 0.901 368 L HN 0.288 nan 8.230 nan 0.000 0.433 369 T N 0.080 114.287 114.554 -0.579 0.000 2.708 369 T HA -0.212 4.138 4.350 0.000 0.000 0.266 369 T C 1.516 175.945 174.700 -0.451 0.000 1.037 369 T CA 1.761 63.587 62.100 -0.456 0.000 1.146 369 T CB -0.275 68.502 68.868 -0.151 0.000 0.865 369 T HN 0.593 nan 8.240 nan 0.000 0.435 370 E N 1.496 121.452 120.200 -0.408 0.000 2.347 370 E HA 0.116 4.466 4.350 0.000 0.000 0.196 370 E C 2.249 178.329 176.600 -0.867 0.000 1.008 370 E CA 0.748 56.882 56.400 -0.444 0.000 0.852 370 E CB -0.221 29.359 29.700 -0.200 0.000 0.783 370 E HN 0.518 nan 8.360 nan 0.000 0.505 371 A N 1.781 124.013 122.820 -0.980 0.000 1.874 371 A HA -0.014 4.306 4.320 0.000 0.000 0.214 371 A C 2.495 179.638 177.584 -0.735 0.000 1.189 371 A CA 0.843 52.262 52.037 -1.030 0.000 0.615 371 A CB -0.682 17.852 19.000 -0.776 0.000 0.830 371 A HN 0.141 nan 8.150 nan 0.000 0.443 372 V N 0.322 119.796 119.914 -0.734 0.000 2.380 372 V HA -0.354 3.766 4.120 0.000 0.000 0.251 372 V C 2.660 178.409 176.094 -0.575 0.000 1.063 372 V CA 2.417 64.216 62.300 -0.836 0.000 1.055 372 V CB -0.910 30.260 31.823 -1.089 0.000 0.657 372 V HN 0.646 nan 8.190 nan 0.000 0.455 373 Q N -0.633 118.883 119.800 -0.474 0.000 2.083 373 Q HA -0.178 4.162 4.340 0.000 0.000 0.198 373 Q C 2.465 178.318 176.000 -0.244 0.000 0.969 373 Q CA 1.204 56.832 55.803 -0.292 0.000 0.838 373 Q CB -0.244 28.355 28.738 -0.231 0.000 0.900 373 Q HN 0.468 nan 8.270 nan 0.000 0.436 374 K N 0.901 121.092 120.400 -0.348 0.000 2.152 374 K HA -0.169 4.151 4.320 0.000 0.000 0.206 374 K C 1.842 178.317 176.600 -0.208 0.000 1.048 374 K CA 1.080 57.215 56.287 -0.253 0.000 0.933 374 K CB -0.051 32.259 32.500 -0.316 0.000 0.721 374 K HN 0.199 nan 8.250 nan 0.000 0.447 375 I N 0.093 120.476 120.570 -0.312 0.000 2.162 375 I HA -0.234 3.936 4.170 0.000 0.000 0.238 375 I C 2.260 178.355 176.117 -0.037 0.000 1.076 375 I CA 1.258 62.401 61.300 -0.261 0.000 1.353 375 I CB -0.626 37.209 38.000 -0.275 0.000 1.063 375 I HN 0.073 nan 8.210 nan 0.000 0.408 376 T N 0.015 114.598 114.554 0.048 0.000 2.653 376 T HA -0.257 4.093 4.350 0.000 0.000 0.268 376 T C 1.939 176.661 174.700 0.036 0.000 1.035 376 T CA 2.313 64.470 62.100 0.096 0.000 1.154 376 T CB -0.486 68.436 68.868 0.091 0.000 0.862 376 T HN 0.356 nan 8.240 nan 0.000 0.441 377 T N 1.819 116.369 114.554 -0.006 0.000 2.674 377 T HA -0.125 4.225 4.350 0.000 0.000 0.265 377 T C 2.006 176.696 174.700 -0.017 0.000 1.039 377 T CA 1.715 63.809 62.100 -0.009 0.000 1.150 377 T CB -0.286 68.569 68.868 -0.021 0.000 0.864 377 T HN 0.790 nan 8.240 nan 0.000 0.427 378 E N 0.249 120.432 120.200 -0.028 0.000 2.427 378 E HA 0.066 4.416 4.350 0.000 0.000 0.196 378 E C 2.042 178.585 176.600 -0.096 0.000 1.028 378 E CA 0.694 57.061 56.400 -0.057 0.000 0.864 378 E CB -0.062 29.613 29.700 -0.042 0.000 0.813 378 E HN 0.226 nan 8.360 nan 0.000 0.514 379 S N 0.765 116.467 115.700 0.003 0.000 2.395 379 S HA 0.075 4.545 4.470 0.000 0.000 0.225 379 S C 1.840 176.478 174.600 0.065 0.000 1.027 379 S CA 0.432 58.711 58.200 0.131 0.000 0.965 379 S CB -0.100 63.242 63.200 0.236 0.000 0.812 379 S HN 0.260 nan 8.310 nan 0.000 0.482 380 I N 1.365 121.951 120.570 0.026 0.000 2.493 380 I HA -0.114 4.056 4.170 0.000 0.000 0.254 380 I C 1.898 177.988 176.117 -0.045 0.000 1.160 380 I CA 0.741 62.049 61.300 0.014 0.000 1.445 380 I CB -0.209 37.805 38.000 0.024 0.000 1.086 380 I HN 0.152 nan 8.210 nan 0.000 0.433 381 V N 0.799 120.659 119.914 -0.091 0.000 2.379 381 V HA -0.213 3.907 4.120 0.000 0.000 0.245 381 V C 2.143 178.102 176.094 -0.224 0.000 1.044 381 V CA 1.633 63.859 62.300 -0.122 0.000 1.036 381 V CB -0.288 31.468 31.823 -0.111 0.000 0.664 381 V HN 0.312 nan 8.190 nan 0.000 0.453 382 I N -1.607 118.704 120.570 -0.432 0.000 2.296 382 I HA -0.090 4.080 4.170 0.000 0.000 0.242 382 I C 1.997 177.649 176.117 -0.776 0.000 1.087 382 I CA 1.340 62.175 61.300 -0.775 0.000 1.393 382 I CB -0.171 36.933 38.000 -1.492 0.000 1.093 382 I HN 0.367 nan 8.210 nan 0.000 0.421 383 W N 0.524 121.691 121.300 -0.221 0.000 3.008 383 W HA 0.392 5.052 4.660 0.000 0.000 0.355 383 W C 1.360 177.759 176.519 -0.200 0.000 1.095 383 W CA 0.479 57.590 57.345 -0.390 0.000 1.738 383 W CB -0.326 28.741 29.460 -0.654 0.000 1.091 383 W HN 0.340 nan 8.180 nan 0.000 0.574 384 G N 2.453 111.273 108.800 0.033 0.000 2.168 384 G HA2 -0.324 3.636 3.960 0.000 0.000 0.257 384 G HA3 -0.324 3.636 3.960 0.000 0.000 0.257 384 G C 0.213 175.156 174.900 0.072 0.000 0.997 384 G CA 1.129 46.257 45.100 0.046 0.000 0.708 384 G HN 0.400 nan 8.290 nan 0.000 0.520 385 K N -1.638 118.819 120.400 0.095 0.000 2.548 385 K HA 0.748 5.068 4.320 0.000 0.000 0.282 385 K C -0.375 176.265 176.600 0.066 0.000 1.006 385 K CA -0.462 55.870 56.287 0.076 0.000 0.892 385 K CB 0.980 33.520 32.500 0.067 0.000 1.499 385 K HN 0.502 nan 8.250 nan 0.000 0.433 386 T N -0.564 114.010 114.554 0.034 0.000 2.837 386 T HA 0.538 4.888 4.350 0.000 0.000 0.285 386 T C -2.117 172.510 174.700 -0.122 0.000 0.984 386 T CA -1.476 60.626 62.100 0.004 0.000 1.049 386 T CB 1.104 70.012 68.868 0.067 0.000 0.947 386 T HN 0.482 nan 8.240 nan 0.000 0.472 387 P HA 0.449 nan 4.420 nan 0.000 0.281 387 P C -0.975 175.939 177.300 -0.643 0.000 1.281 387 P CA -0.929 61.859 63.100 -0.519 0.000 0.811 387 P CB 1.010 32.307 31.700 -0.672 0.000 1.154 388 K N 0.208 120.294 120.400 -0.523 0.000 2.201 388 K HA 0.445 4.765 4.320 0.000 0.000 0.278 388 K C -0.505 175.823 176.600 -0.453 0.000 1.027 388 K CA -0.208 55.879 56.287 -0.333 0.000 0.909 388 K CB 0.330 32.702 32.500 -0.213 0.000 1.062 388 K HN 0.293 nan 8.250 nan 0.000 0.465 389 F N 1.783 121.696 119.950 -0.062 0.000 2.425 389 F HA 0.353 4.881 4.527 0.000 0.000 0.331 389 F C 0.575 176.409 175.800 0.057 0.000 1.085 389 F CA -0.755 57.227 58.000 -0.031 0.000 1.028 389 F CB 1.226 40.183 39.000 -0.071 0.000 1.177 389 F HN 0.046 nan 8.300 nan 0.000 0.487 390 K N 4.700 125.256 120.400 0.260 0.000 2.464 390 K HA 0.486 4.806 4.320 0.000 0.000 0.252 390 K C -1.147 175.592 176.600 0.233 0.000 1.000 390 K CA -0.221 56.198 56.287 0.220 0.000 0.951 390 K CB 1.556 34.159 32.500 0.172 0.000 1.183 390 K HN 0.576 nan 8.250 nan 0.000 0.445 391 L N 3.453 124.841 121.223 0.275 0.000 2.334 391 L HA 0.409 4.749 4.340 0.000 0.000 0.276 391 L C -1.937 175.057 176.870 0.207 0.000 1.014 391 L CA -2.272 52.649 54.840 0.135 0.000 0.815 391 L CB 1.937 43.898 42.059 -0.163 0.000 1.268 391 L HN 0.187 nan 8.230 nan 0.000 0.428 392 P HA 0.204 nan 4.420 nan 0.000 0.246 392 P C -0.605 176.839 177.300 0.239 0.000 1.686 392 P CA 0.536 63.771 63.100 0.226 0.000 0.867 392 P CB -0.114 31.702 31.700 0.194 0.000 1.733 393 I N -1.284 119.439 120.570 0.255 0.000 2.647 393 I HA 0.272 4.442 4.170 0.000 0.000 0.295 393 I C -0.571 175.646 176.117 0.167 0.000 1.078 393 I CA -1.082 60.278 61.300 0.100 0.000 1.048 393 I CB 2.024 39.935 38.000 -0.149 0.000 1.239 393 I HN -0.279 nan 8.210 nan 0.000 0.421 394 Q N 5.437 125.165 119.800 -0.120 0.000 2.354 394 Q HA 0.190 4.530 4.340 0.000 0.000 0.244 394 Q C 0.466 176.552 176.000 0.143 0.000 0.969 394 Q CA -0.340 55.250 55.803 -0.354 0.000 0.885 394 Q CB 1.105 29.602 28.738 -0.401 0.000 1.241 394 Q HN 0.555 nan 8.270 nan 0.000 0.461 395 K N 1.656 122.132 120.400 0.128 0.000 2.209 395 K HA -0.164 4.156 4.320 0.000 0.000 0.204 395 K C 1.409 178.171 176.600 0.271 0.000 1.048 395 K CA 1.175 57.645 56.287 0.305 0.000 0.940 395 K CB 0.294 32.834 32.500 0.068 0.000 0.729 395 K HN 0.504 nan 8.250 nan 0.000 0.451 396 E N -0.186 120.072 120.200 0.097 0.000 2.230 396 E HA -0.031 4.319 4.350 0.000 0.000 0.192 396 E C 1.664 178.294 176.600 0.051 0.000 0.987 396 E CA 0.900 57.332 56.400 0.054 0.000 0.841 396 E CB 0.140 29.832 29.700 -0.013 0.000 0.783 396 E HN 0.164 nan 8.360 nan 0.000 0.481 397 T N -0.060 114.529 114.554 0.058 0.000 2.770 397 T HA -0.134 4.216 4.350 0.000 0.000 0.263 397 T C 1.366 176.144 174.700 0.130 0.000 1.039 397 T CA 0.931 63.049 62.100 0.029 0.000 1.142 397 T CB -0.405 68.444 68.868 -0.032 0.000 0.868 397 T HN 0.414 nan 8.240 nan 0.000 0.435 398 W N 2.194 123.543 121.300 0.082 0.000 2.358 398 W HA -0.097 4.563 4.660 0.000 0.000 0.303 398 W C 2.025 178.742 176.519 0.330 0.000 1.208 398 W CA 1.202 58.670 57.345 0.205 0.000 1.274 398 W CB -0.164 29.437 29.460 0.235 0.000 1.138 398 W HN 0.351 nan 8.180 nan 0.000 0.515 399 E N -0.427 119.883 120.200 0.184 0.000 2.085 399 E HA -0.201 4.149 4.350 0.000 0.000 0.194 399 E C 1.987 178.351 176.600 -0.394 0.000 0.994 399 E CA 2.278 58.596 56.400 -0.135 0.000 0.801 399 E CB -0.150 29.554 29.700 0.006 0.000 0.743 399 E HN 0.182 nan 8.360 nan 0.000 0.453 400 T N 0.451 114.898 114.554 -0.177 0.000 2.867 400 T HA -0.154 4.196 4.350 0.000 0.000 0.268 400 T C 1.236 175.849 174.700 -0.144 0.000 1.057 400 T CA 0.814 62.818 62.100 -0.161 0.000 1.136 400 T CB -0.285 68.544 68.868 -0.065 0.000 0.874 400 T HN 0.420 nan 8.240 nan 0.000 0.466 401 W N 1.819 122.894 121.300 -0.375 0.000 2.423 401 W HA -0.107 4.553 4.660 0.000 0.000 0.321 401 W C 2.349 178.608 176.519 -0.435 0.000 1.180 401 W CA 0.957 58.049 57.345 -0.422 0.000 1.322 401 W CB -0.492 28.683 29.460 -0.475 0.000 1.174 401 W HN 0.425 nan 8.180 nan 0.000 0.470 402 W N 2.770 123.620 121.300 -0.749 0.000 2.342 402 W HA -0.216 4.444 4.660 0.000 0.000 0.297 402 W C 1.948 178.222 176.519 -0.408 0.000 1.213 402 W CA 2.445 59.355 57.345 -0.725 0.000 1.251 402 W CB -1.677 27.364 29.460 -0.699 0.000 1.136 402 W HN -0.025 nan 8.180 nan 0.000 0.526 403 T N -1.124 112.891 114.554 -0.897 0.000 2.915 403 T HA -0.158 4.192 4.350 0.000 0.000 0.269 403 T C 1.440 175.922 174.700 -0.364 0.000 1.071 403 T CA 1.497 63.145 62.100 -0.754 0.000 1.132 403 T CB -0.365 67.982 68.868 -0.868 0.000 0.878 403 T HN 0.061 nan 8.240 nan 0.000 0.479 404 E N -0.276 119.725 120.200 -0.332 0.000 2.415 404 E HA 0.183 4.533 4.350 0.000 0.000 0.197 404 E C 0.018 176.517 176.600 -0.168 0.000 1.007 404 E CA -0.100 56.184 56.400 -0.193 0.000 0.890 404 E CB -0.091 29.529 29.700 -0.134 0.000 0.891 404 E HN 0.570 nan 8.360 nan 0.000 0.496 405 Y N 1.145 121.088 120.300 -0.596 0.000 2.326 405 Y HA 0.020 4.570 4.550 0.000 0.000 0.333 405 Y C 0.994 176.622 175.900 -0.453 0.000 1.240 405 Y CA -1.138 56.457 58.100 -0.841 0.000 1.365 405 Y CB 0.409 37.993 38.460 -1.461 0.000 1.289 405 Y HN -0.017 nan 8.280 nan 0.000 0.548 406 W N 0.939 121.839 121.300 -0.666 0.000 2.737 406 W HA 0.242 4.902 4.660 0.000 0.000 0.262 406 W C -0.048 176.155 176.519 -0.526 0.000 1.282 406 W CA -0.194 56.849 57.345 -0.504 0.000 1.386 406 W CB -0.249 28.978 29.460 -0.389 0.000 1.099 406 W HN 0.238 nan 8.180 nan 0.000 0.621 407 Q N 1.331 120.453 119.800 -1.130 0.000 2.256 407 Q HA 0.467 4.807 4.340 0.000 0.000 0.232 407 Q C -0.175 175.661 176.000 -0.274 0.000 0.965 407 Q CA -0.175 55.297 55.803 -0.551 0.000 0.908 407 Q CB 1.351 29.770 28.738 -0.532 0.000 1.209 407 Q HN 0.131 nan 8.270 nan 0.000 0.489 408 A N 1.122 123.883 122.820 -0.098 0.000 2.366 408 A HA 0.477 4.797 4.320 0.000 0.000 0.272 408 A C -0.063 177.554 177.584 0.055 0.000 1.135 408 A CA 0.045 52.073 52.037 -0.014 0.000 0.804 408 A CB 0.569 19.563 19.000 -0.010 0.000 1.064 408 A HN 0.531 nan 8.150 nan 0.000 0.499 409 T N 1.692 116.311 114.554 0.108 0.000 2.916 409 T HA 0.588 4.938 4.350 0.000 0.000 0.305 409 T C -1.958 172.947 174.700 0.341 0.000 1.119 409 T CA -0.222 62.015 62.100 0.227 0.000 1.008 409 T CB 0.792 69.822 68.868 0.270 0.000 1.129 409 T HN 0.905 nan 8.240 nan 0.000 0.480 410 W N 4.705 126.099 121.300 0.158 0.000 3.571 410 W HA 0.686 5.346 4.660 0.000 0.000 0.294 410 W C -2.473 174.035 176.519 -0.019 0.000 1.257 410 W CA -0.747 56.660 57.345 0.102 0.000 1.206 410 W CB 1.039 30.475 29.460 -0.040 0.000 1.325 410 W HN 0.632 nan 8.180 nan 0.000 0.546 411 I N 6.749 126.869 120.570 -0.750 0.000 2.509 411 I HA 0.365 4.535 4.170 0.000 0.000 0.293 411 I C -1.730 173.481 176.117 -1.511 0.000 1.020 411 I CA -2.179 58.467 61.300 -1.091 0.000 1.088 411 I CB 1.985 39.145 38.000 -1.399 0.000 1.267 411 I HN 0.158 nan 8.210 nan 0.000 0.430 412 P HA -0.069 nan 4.420 nan 0.000 0.302 412 P C -0.422 176.716 177.300 -0.271 0.000 1.301 412 P CA -0.254 62.306 63.100 -0.900 0.000 0.770 412 P CB 0.315 31.877 31.700 -0.230 0.000 1.458 413 E N 0.588 120.772 120.200 -0.027 0.000 2.299 413 E HA 0.084 4.434 4.350 0.000 0.000 0.272 413 E C -0.906 175.774 176.600 0.134 0.000 1.043 413 E CA -0.186 56.225 56.400 0.019 0.000 0.895 413 E CB 0.116 29.819 29.700 0.005 0.000 1.011 413 E HN 0.306 nan 8.360 nan 0.000 0.432 414 W N 3.513 124.762 121.300 -0.085 0.000 3.062 414 W HA 0.591 5.251 4.660 0.000 0.000 0.336 414 W C -1.413 175.091 176.519 -0.024 0.000 1.224 414 W CA -1.029 56.288 57.345 -0.048 0.000 1.159 414 W CB 0.592 29.972 29.460 -0.133 0.000 1.454 414 W HN 0.467 nan 8.180 nan 0.000 0.569 415 E N 1.432 121.659 120.200 0.045 0.000 2.317 415 E HA 0.422 4.772 4.350 0.000 0.000 0.270 415 E C -1.760 174.975 176.600 0.226 0.000 0.885 415 E CA -0.954 55.401 56.400 -0.074 0.000 0.760 415 E CB 2.627 32.310 29.700 -0.028 0.000 1.227 415 E HN 0.282 nan 8.360 nan 0.000 0.434 416 F N 4.806 124.768 119.950 0.020 0.000 2.472 416 F HA 0.329 4.856 4.527 0.000 0.000 0.364 416 F C -1.071 174.803 175.800 0.123 0.000 1.090 416 F CA -0.420 57.693 58.000 0.188 0.000 1.188 416 F CB 0.856 39.940 39.000 0.139 0.000 1.105 416 F HN 0.131 nan 8.300 nan 0.000 0.536 417 V N 7.845 127.586 119.914 -0.289 0.000 2.370 417 V HA 0.295 4.415 4.120 0.000 0.000 0.283 417 V C -0.055 175.683 176.094 -0.593 0.000 1.023 417 V CA -0.723 61.344 62.300 -0.387 0.000 0.857 417 V CB 1.140 32.921 31.823 -0.071 0.000 0.985 417 V HN 0.820 nan 8.190 nan 0.000 0.443 418 N N 4.503 122.806 118.700 -0.661 0.000 3.243 418 N HA 0.075 4.815 4.740 0.000 0.000 0.310 418 N C -0.191 175.256 175.510 -0.106 0.000 1.313 418 N CA 0.215 53.041 53.050 -0.374 0.000 1.204 418 N CB 0.103 38.422 38.487 -0.281 0.000 1.483 418 N HN 0.712 nan 8.380 nan 0.000 0.553 419 T N 1.479 116.005 114.554 -0.048 0.000 2.874 419 T HA 0.418 4.769 4.350 0.000 0.000 0.321 419 T C -2.543 172.183 174.700 0.044 0.000 1.075 419 T CA -1.772 60.330 62.100 0.003 0.000 0.966 419 T CB 0.734 69.604 68.868 0.003 0.000 1.001 419 T HN 0.139 nan 8.240 nan 0.000 0.476 420 P HA 0.216 nan 4.420 nan 0.000 0.269 420 P C -2.350 174.975 177.300 0.041 0.000 1.217 420 P CA -0.962 62.171 63.100 0.055 0.000 0.783 420 P CB 0.008 31.738 31.700 0.049 0.000 0.898 421 P HA 0.120 nan 4.420 nan 0.000 0.275 421 P C -0.520 176.820 177.300 0.067 0.000 1.276 421 P CA 0.239 63.370 63.100 0.051 0.000 0.782 421 P CB 0.365 32.085 31.700 0.033 0.000 0.851 422 L N 3.132 124.399 121.223 0.074 0.000 2.467 422 L HA 0.163 4.503 4.340 0.000 0.000 0.270 422 L C 0.637 177.524 176.870 0.029 0.000 1.205 422 L CA -0.690 54.197 54.840 0.080 0.000 0.828 422 L CB 0.567 42.674 42.059 0.081 0.000 1.101 422 L HN 0.165 nan 8.230 nan 0.000 0.479 423 V N 3.414 123.354 119.914 0.044 0.000 2.385 423 V HA 0.283 4.403 4.120 0.000 0.000 0.269 423 V C 0.197 176.199 176.094 -0.153 0.000 1.043 423 V CA -0.372 61.929 62.300 0.002 0.000 0.906 423 V CB 0.717 32.588 31.823 0.080 0.000 0.995 423 V HN 0.796 nan 8.190 nan 0.000 0.467 424 K N 4.706 124.908 120.400 -0.330 0.000 2.509 424 K HA 0.671 4.991 4.320 0.000 0.000 0.266 424 K C -1.421 174.838 176.600 -0.568 0.000 0.987 424 K CA -1.082 54.932 56.287 -0.455 0.000 0.868 424 K CB 2.215 34.401 32.500 -0.523 0.000 1.421 424 K HN 0.350 nan 8.250 nan 0.000 0.444 425 L N 2.414 123.385 121.223 -0.420 0.000 2.295 425 L HA 0.220 4.560 4.340 0.000 0.000 0.288 425 L C 0.175 176.891 176.870 -0.256 0.000 1.079 425 L CA -0.657 53.988 54.840 -0.325 0.000 0.830 425 L CB 0.008 41.938 42.059 -0.215 0.000 1.200 425 L HN 0.700 nan 8.230 nan 0.000 0.438 426 W N 3.372 124.609 121.300 -0.106 0.000 2.611 426 W HA -0.068 4.592 4.660 0.000 0.000 0.251 426 W C 0.291 176.932 176.519 0.203 0.000 1.265 426 W CA 0.001 57.376 57.345 0.049 0.000 1.295 426 W CB -0.197 29.332 29.460 0.116 0.000 1.129 426 W HN 0.508 nan 8.180 nan 0.000 0.630 427 Y N -3.153 117.256 120.300 0.183 0.000 2.702 427 Y HA 0.451 5.001 4.550 0.000 0.000 0.336 427 Y C -1.111 174.845 175.900 0.092 0.000 1.203 427 Y CA -2.241 55.933 58.100 0.123 0.000 1.072 427 Y CB 0.614 39.146 38.460 0.120 0.000 1.327 427 Y HN -0.177 nan 8.280 nan 0.000 0.456 428 Q N 2.771 122.737 119.800 0.277 0.000 2.406 428 Q HA 0.423 4.763 4.340 0.000 0.000 0.244 428 Q C -2.014 174.108 176.000 0.203 0.000 0.884 428 Q CA -0.509 55.398 55.803 0.174 0.000 0.813 428 Q CB 1.709 30.502 28.738 0.092 0.000 1.368 428 Q HN 0.939 nan 8.270 nan 0.000 0.439 429 L N 2.789 124.146 121.223 0.224 0.000 2.483 429 L HA 0.136 4.476 4.340 0.000 0.000 0.276 429 L C 0.709 177.680 176.870 0.168 0.000 1.213 429 L CA -0.007 54.941 54.840 0.180 0.000 0.843 429 L CB 0.319 42.468 42.059 0.151 0.000 1.107 429 L HN 0.522 nan 8.230 nan 0.000 0.487 430 E N 2.070 122.397 120.200 0.213 0.000 2.390 430 E HA 0.004 4.354 4.350 0.000 0.000 0.261 430 E C 0.374 177.167 176.600 0.321 0.000 1.076 430 E CA -0.139 56.408 56.400 0.244 0.000 0.905 430 E CB 1.008 30.848 29.700 0.233 0.000 0.984 430 E HN 0.401 nan 8.360 nan 0.000 0.427 431 K N 0.723 121.235 120.400 0.187 0.000 2.076 431 K HA -0.068 4.252 4.320 0.000 0.000 0.204 431 K C 0.094 176.774 176.600 0.134 0.000 1.051 431 K CA 1.014 57.399 56.287 0.163 0.000 0.949 431 K CB 0.366 32.909 32.500 0.073 0.000 0.726 431 K HN 0.231 nan 8.250 nan 0.000 0.443 432 E N 0.618 120.792 120.200 -0.043 0.000 2.227 432 E HA 0.295 4.645 4.350 0.000 0.000 0.268 432 E C -2.701 173.507 176.600 -0.654 0.000 0.907 432 E CA -2.823 53.398 56.400 -0.298 0.000 0.786 432 E CB 1.659 31.263 29.700 -0.161 0.000 1.191 432 E HN 0.014 nan 8.360 nan 0.000 0.411 433 P HA 0.086 nan 4.420 nan 0.000 0.267 433 P C -0.342 176.766 177.300 -0.319 0.000 1.205 433 P CA 0.114 62.685 63.100 -0.883 0.000 0.765 433 P CB 0.335 31.645 31.700 -0.651 0.000 0.828 434 I N 2.950 123.428 120.570 -0.154 0.000 2.587 434 I HA -0.009 4.162 4.170 0.000 0.000 0.284 434 I C 0.717 176.807 176.117 -0.045 0.000 1.134 434 I CA -0.149 61.115 61.300 -0.060 0.000 1.410 434 I CB 0.136 38.137 38.000 0.001 0.000 1.392 434 I HN 0.075 nan 8.210 nan 0.000 0.545 435 V N 6.055 125.945 119.914 -0.040 0.000 2.530 435 V HA 0.468 4.588 4.120 0.000 0.000 0.282 435 V C 1.095 177.185 176.094 -0.007 0.000 1.048 435 V CA 0.171 62.456 62.300 -0.025 0.000 0.997 435 V CB 0.573 32.380 31.823 -0.026 0.000 0.987 435 V HN 1.130 nan 8.190 nan 0.000 0.477 436 G N 3.212 112.014 108.800 0.003 0.000 2.132 436 G HA2 0.091 4.051 3.960 0.000 0.000 0.228 436 G HA3 0.091 4.051 3.960 0.000 0.000 0.228 436 G C 0.042 174.956 174.900 0.023 0.000 1.000 436 G CA 0.130 45.237 45.100 0.012 0.000 0.693 436 G HN 1.529 nan 8.290 nan 0.000 0.515 437 A N -0.624 122.215 122.820 0.031 0.000 2.413 437 A HA 0.830 5.150 4.320 0.000 0.000 0.307 437 A C -0.051 177.580 177.584 0.078 0.000 1.087 437 A CA -0.250 51.818 52.037 0.052 0.000 0.750 437 A CB 1.295 20.324 19.000 0.048 0.000 1.296 437 A HN 0.438 nan 8.150 nan 0.000 0.423 438 E N 0.541 120.816 120.200 0.126 0.000 2.338 438 E HA 0.321 4.671 4.350 0.000 0.000 0.272 438 E C -0.628 176.109 176.600 0.228 0.000 1.029 438 E CA 0.040 56.533 56.400 0.155 0.000 0.872 438 E CB 0.575 30.400 29.700 0.209 0.000 1.015 438 E HN 0.551 nan 8.360 nan 0.000 0.417 439 T N 4.913 119.537 114.554 0.117 0.000 2.728 439 T HA 0.250 4.600 4.350 0.000 0.000 0.296 439 T C -0.732 174.009 174.700 0.069 0.000 0.940 439 T CA -0.245 61.910 62.100 0.090 0.000 1.013 439 T CB -0.074 68.803 68.868 0.016 0.000 0.912 439 T HN 0.221 nan 8.240 nan 0.000 0.484 440 F N 3.342 123.233 119.950 -0.098 0.000 2.334 440 F HA 0.382 4.909 4.527 0.000 0.000 0.367 440 F C -0.149 175.633 175.800 -0.030 0.000 1.115 440 F CA -1.325 56.651 58.000 -0.041 0.000 1.116 440 F CB 0.452 39.359 39.000 -0.154 0.000 1.230 440 F HN 0.521 nan 8.300 nan 0.000 0.484 441 Y N 3.058 123.452 120.300 0.157 0.000 2.350 441 Y HA 0.494 5.044 4.550 0.000 0.000 0.340 441 Y C 0.216 176.216 175.900 0.168 0.000 1.006 441 Y CA -0.947 57.226 58.100 0.122 0.000 1.166 441 Y CB 0.994 39.491 38.460 0.062 0.000 1.168 441 Y HN 0.357 nan 8.280 nan 0.000 0.502 442 V N 0.571 120.651 119.914 0.277 0.000 2.769 442 V HA 0.784 4.904 4.120 0.000 0.000 0.312 442 V C -1.014 175.184 176.094 0.172 0.000 1.061 442 V CA -0.515 61.931 62.300 0.243 0.000 0.931 442 V CB 2.206 34.167 31.823 0.230 0.000 1.010 442 V HN 0.695 nan 8.190 nan 0.000 0.433 443 D N 1.214 121.705 120.400 0.151 0.000 2.643 443 D HA 0.793 5.433 4.640 0.000 0.000 0.283 443 D C -0.684 175.683 176.300 0.110 0.000 1.242 443 D CA 0.344 54.415 54.000 0.117 0.000 0.863 443 D CB 2.382 43.241 40.800 0.097 0.000 1.382 443 D HN 1.335 nan 8.370 nan 0.000 0.444 444 G N -0.159 108.700 108.800 0.097 0.000 2.378 444 G HA2 0.630 4.590 3.960 0.000 0.000 0.306 444 G HA3 0.630 4.590 3.960 0.000 0.000 0.306 444 G C -1.306 173.640 174.900 0.076 0.000 1.413 444 G CA 0.182 45.334 45.100 0.085 0.000 1.123 444 G HN 0.488 nan 8.290 nan 0.000 0.587 445 A N 0.909 123.766 122.820 0.061 0.000 2.282 445 A HA 1.108 5.428 4.320 0.000 0.000 0.324 445 A C 0.227 177.837 177.584 0.043 0.000 1.119 445 A CA -0.180 51.889 52.037 0.054 0.000 0.880 445 A CB 1.790 20.820 19.000 0.050 0.000 1.294 445 A HN 2.492 nan 8.150 nan 0.000 0.493 446 A N 0.134 122.976 122.820 0.035 0.000 2.566 446 A HA 0.584 4.904 4.320 0.000 0.000 0.297 446 A C -0.901 176.696 177.584 0.021 0.000 1.059 446 A CA -0.491 51.562 52.037 0.027 0.000 0.691 446 A CB 0.814 19.829 19.000 0.026 0.000 1.282 446 A HN 0.912 nan 8.150 nan 0.000 0.401 447 N N 1.182 119.892 118.700 0.017 0.000 2.414 447 N HA 0.172 4.912 4.740 0.000 0.000 0.256 447 N C 1.115 176.631 175.510 0.011 0.000 1.029 447 N CA -0.399 52.658 53.050 0.013 0.000 0.948 447 N CB 0.717 39.210 38.487 0.010 0.000 1.102 447 N HN 0.735 nan 8.380 nan 0.000 0.496 448 R N 2.811 123.317 120.500 0.010 0.000 2.285 448 R HA -0.038 4.302 4.340 0.000 0.000 0.213 448 R C 0.534 176.838 176.300 0.006 0.000 1.068 448 R CA 1.127 57.232 56.100 0.007 0.000 1.004 448 R CB 0.023 30.326 30.300 0.006 0.000 0.873 448 R HN 0.628 nan 8.270 nan 0.000 0.467 449 E N 0.543 120.747 120.200 0.007 0.000 2.307 449 E HA -0.027 4.323 4.350 0.000 0.000 0.195 449 E C 1.101 177.704 176.600 0.006 0.000 0.975 449 E CA 1.259 57.663 56.400 0.006 0.000 0.878 449 E CB 0.683 30.387 29.700 0.005 0.000 0.845 449 E HN 0.547 nan 8.360 nan 0.000 0.488 450 T N -2.003 112.555 114.554 0.007 0.000 3.023 450 T HA 0.133 4.483 4.350 0.000 0.000 0.253 450 T C 0.780 175.485 174.700 0.009 0.000 1.038 450 T CA -0.317 61.788 62.100 0.007 0.000 0.962 450 T CB 0.344 69.216 68.868 0.007 0.000 1.018 450 T HN -0.164 nan 8.240 nan 0.000 0.521 451 K N 0.521 120.927 120.400 0.010 0.000 3.407 451 K HA -0.118 4.202 4.320 0.000 0.000 0.312 451 K C -0.010 176.599 176.600 0.014 0.000 1.302 451 K CA 0.452 56.746 56.287 0.011 0.000 0.931 451 K CB -2.582 29.924 32.500 0.011 0.000 1.257 451 K HN 0.534 nan 8.250 nan 0.000 0.454 452 L N -0.321 120.910 121.223 0.014 0.000 2.387 452 L HA 0.749 5.089 4.340 0.000 0.000 0.266 452 L C 1.025 177.906 176.870 0.019 0.000 1.059 452 L CA -0.191 54.658 54.840 0.016 0.000 0.801 452 L CB 1.714 43.780 42.059 0.013 0.000 1.223 452 L HN 0.210 nan 8.230 nan 0.000 0.456 453 G N 0.286 109.099 108.800 0.022 0.000 2.523 453 G HA2 0.448 4.408 3.960 0.000 0.000 0.291 453 G HA3 0.448 4.408 3.960 0.000 0.000 0.291 453 G C -1.980 172.937 174.900 0.027 0.000 1.450 453 G CA -0.633 44.483 45.100 0.026 0.000 0.790 453 G HN 0.388 nan 8.290 nan 0.000 0.496 454 K N -0.735 119.683 120.400 0.030 0.000 2.385 454 K HA 0.817 5.137 4.320 0.000 0.000 0.248 454 K C -0.848 175.777 176.600 0.042 0.000 0.955 454 K CA -0.751 55.553 56.287 0.028 0.000 0.816 454 K CB 2.634 35.144 32.500 0.016 0.000 1.250 454 K HN 0.927 nan 8.250 nan 0.000 0.434 455 A N 0.909 123.756 122.820 0.044 0.000 2.488 455 A HA 0.845 5.165 4.320 0.000 0.000 0.298 455 A C -0.845 176.772 177.584 0.055 0.000 1.044 455 A CA -0.353 51.724 52.037 0.067 0.000 0.693 455 A CB 1.906 20.961 19.000 0.091 0.000 1.272 455 A HN 0.788 nan 8.150 nan 0.000 0.402 456 G N -0.105 108.739 108.800 0.074 0.000 2.489 456 G HA2 0.714 4.674 3.960 0.000 0.000 0.305 456 G HA3 0.714 4.674 3.960 0.000 0.000 0.305 456 G C -1.363 173.624 174.900 0.146 0.000 1.311 456 G CA 0.229 45.354 45.100 0.041 0.000 0.813 456 G HN 1.952 nan 8.290 nan 0.000 0.480 457 Y N -2.532 117.827 120.300 0.099 0.000 2.677 457 Y HA 0.874 5.424 4.550 0.000 0.000 0.334 457 Y C -1.133 174.798 175.900 0.051 0.000 1.154 457 Y CA -1.805 56.368 58.100 0.123 0.000 1.070 457 Y CB 1.757 40.361 38.460 0.239 0.000 1.294 457 Y HN 1.002 nan 8.280 nan 0.000 0.475 458 V N 1.207 121.313 119.914 0.320 0.000 2.969 458 V HA 0.698 4.818 4.120 0.000 0.000 0.304 458 V C -0.819 175.357 176.094 0.136 0.000 1.192 458 V CA 0.298 62.684 62.300 0.142 0.000 0.962 458 V CB 2.142 33.980 31.823 0.024 0.000 1.045 458 V HN 1.385 nan 8.190 nan 0.000 0.428 459 T N 1.881 116.424 114.554 -0.019 0.000 2.927 459 T HA 0.397 4.747 4.350 0.000 0.000 0.286 459 T C 1.021 175.705 174.700 -0.027 0.000 1.040 459 T CA -0.068 61.947 62.100 -0.142 0.000 1.010 459 T CB 1.566 70.123 68.868 -0.518 0.000 1.177 459 T HN 0.809 nan 8.240 nan 0.000 0.546 460 N N 0.647 119.350 118.700 0.005 0.000 2.270 460 N HA -0.103 4.637 4.740 0.000 0.000 0.181 460 N C 1.313 176.818 175.510 -0.008 0.000 1.016 460 N CA 0.779 53.849 53.050 0.033 0.000 0.870 460 N CB -0.222 38.306 38.487 0.068 0.000 0.979 460 N HN 0.619 nan 8.380 nan 0.000 0.431 461 K N -0.298 120.080 120.400 -0.036 0.000 2.296 461 K HA 0.052 4.372 4.320 0.000 0.000 0.200 461 K C 0.865 177.448 176.600 -0.028 0.000 1.048 461 K CA 0.869 57.140 56.287 -0.028 0.000 0.966 461 K CB 0.110 32.594 32.500 -0.027 0.000 0.754 461 K HN 0.516 nan 8.250 nan 0.000 0.466 462 G N 1.292 110.069 108.800 -0.039 0.000 2.296 462 G HA2 -0.212 3.748 3.960 0.000 0.000 0.188 462 G HA3 -0.212 3.748 3.960 0.000 0.000 0.188 462 G C -0.021 174.863 174.900 -0.027 0.000 1.000 462 G CA -0.388 44.694 45.100 -0.031 0.000 0.672 462 G HN 0.228 nan 8.290 nan 0.000 0.483 463 R N 0.967 121.451 120.500 -0.028 0.000 2.623 463 R HA 0.534 4.874 4.340 0.000 0.000 0.271 463 R C 0.045 176.369 176.300 0.039 0.000 1.043 463 R CA 0.759 56.871 56.100 0.022 0.000 1.083 463 R CB 0.272 30.589 30.300 0.028 0.000 0.974 463 R HN 0.411 nan 8.270 nan 0.000 0.436 464 Q N 1.985 121.772 119.800 -0.020 0.000 2.482 464 Q HA 0.365 4.705 4.340 0.000 0.000 0.286 464 Q C -1.858 173.886 176.000 -0.427 0.000 1.007 464 Q CA -0.954 54.718 55.803 -0.219 0.000 0.801 464 Q CB 2.071 30.729 28.738 -0.135 0.000 1.455 464 Q HN 0.568 nan 8.270 nan 0.000 0.398 465 K N 1.397 121.387 120.400 -0.684 0.000 2.578 465 K HA 0.395 4.715 4.320 0.000 0.000 0.263 465 K C -1.993 174.376 176.600 -0.385 0.000 0.973 465 K CA -0.480 55.484 56.287 -0.538 0.000 0.909 465 K CB 1.471 33.605 32.500 -0.610 0.000 1.326 465 K HN 0.427 nan 8.250 nan 0.000 0.440 466 V N 0.945 120.745 119.914 -0.189 0.000 2.823 466 V HA 0.872 4.992 4.120 0.000 0.000 0.312 466 V C -1.254 174.807 176.094 -0.055 0.000 1.072 466 V CA -0.487 61.752 62.300 -0.102 0.000 0.937 466 V CB 1.959 33.742 31.823 -0.068 0.000 1.013 466 V HN 0.422 nan 8.190 nan 0.000 0.430 467 V N 3.200 123.103 119.914 -0.018 0.000 2.962 467 V HA 0.856 4.976 4.120 0.000 0.000 0.313 467 V C -2.093 174.008 176.094 0.013 0.000 1.099 467 V CA -0.779 61.523 62.300 0.002 0.000 0.971 467 V CB 2.277 34.114 31.823 0.024 0.000 1.028 467 V HN 1.078 nan 8.190 nan 0.000 0.430 468 P HA 0.811 nan 4.420 nan 0.000 0.292 468 P C -1.262 176.054 177.300 0.027 0.000 1.283 468 P CA -0.314 62.796 63.100 0.017 0.000 0.835 468 P CB 0.966 32.673 31.700 0.012 0.000 1.017 469 L N 1.683 122.924 121.223 0.029 0.000 2.365 469 L HA 0.404 4.744 4.340 0.000 0.000 0.273 469 L C 1.590 178.477 176.870 0.028 0.000 1.000 469 L CA -0.532 54.329 54.840 0.035 0.000 0.819 469 L CB 2.211 44.296 42.059 0.044 0.000 1.284 469 L HN 0.475 nan 8.230 nan 0.000 0.418 470 T N -0.513 114.057 114.554 0.028 0.000 2.559 470 T HA -0.122 4.228 4.350 0.000 0.000 0.251 470 T C 0.311 175.024 174.700 0.021 0.000 1.122 470 T CA 0.977 63.090 62.100 0.022 0.000 1.231 470 T CB -0.093 68.788 68.868 0.021 0.000 0.881 470 T HN 0.533 nan 8.240 nan 0.000 0.397 471 D N 1.257 121.670 120.400 0.022 0.000 3.123 471 D HA 0.341 4.981 4.640 0.000 0.000 0.305 471 D C -0.273 176.040 176.300 0.021 0.000 1.373 471 D CA -0.029 53.983 54.000 0.019 0.000 0.889 471 D CB 0.360 41.170 40.800 0.017 0.000 1.070 471 D HN 0.165 nan 8.370 nan 0.000 0.494 472 T N -0.689 113.879 114.554 0.024 0.000 2.810 472 T HA 0.543 4.893 4.350 0.000 0.000 0.277 472 T C 0.289 175.001 174.700 0.019 0.000 0.973 472 T CA -0.391 61.725 62.100 0.027 0.000 0.949 472 T CB 0.894 69.783 68.868 0.036 0.000 1.075 472 T HN 0.262 nan 8.240 nan 0.000 0.537 473 T N -0.085 114.480 114.554 0.018 0.000 2.907 473 T HA 0.421 4.771 4.350 0.000 0.000 0.290 473 T C 1.045 175.748 174.700 0.006 0.000 1.066 473 T CA -0.901 61.200 62.100 0.002 0.000 1.012 473 T CB 1.299 70.157 68.868 -0.016 0.000 1.184 473 T HN 0.451 nan 8.240 nan 0.000 0.522 474 N N 0.075 118.771 118.700 -0.007 0.000 2.289 474 N HA -0.099 4.641 4.740 0.000 0.000 0.184 474 N C 1.699 177.213 175.510 0.005 0.000 1.016 474 N CA 1.312 54.366 53.050 0.006 0.000 0.872 474 N CB -0.141 38.347 38.487 0.003 0.000 0.973 474 N HN 0.632 nan 8.380 nan 0.000 0.433 475 Q N 0.411 120.177 119.800 -0.057 0.000 2.096 475 Q HA 0.066 4.406 4.340 0.000 0.000 0.197 475 Q C 1.884 177.936 176.000 0.087 0.000 0.964 475 Q CA 0.936 56.684 55.803 -0.091 0.000 0.838 475 Q CB 0.121 28.553 28.738 -0.510 0.000 0.906 475 Q HN 0.220 nan 8.270 nan 0.000 0.444 476 K N 0.028 120.466 120.400 0.064 0.000 2.097 476 K HA -0.108 4.212 4.320 0.000 0.000 0.206 476 K C 2.183 178.847 176.600 0.107 0.000 1.049 476 K CA 1.715 58.064 56.287 0.104 0.000 0.933 476 K CB -0.174 32.368 32.500 0.070 0.000 0.717 476 K HN 0.363 nan 8.250 nan 0.000 0.442 477 T N -0.249 114.358 114.554 0.089 0.000 2.788 477 T HA -0.176 4.174 4.350 0.000 0.000 0.268 477 T C 1.904 176.673 174.700 0.114 0.000 1.044 477 T CA 1.017 63.172 62.100 0.092 0.000 1.139 477 T CB -0.210 68.702 68.868 0.073 0.000 0.867 477 T HN 0.207 nan 8.240 nan 0.000 0.454 478 Q N 0.269 120.145 119.800 0.128 0.000 2.297 478 Q HA 0.239 4.579 4.340 0.000 0.000 0.204 478 Q C 2.197 178.289 176.000 0.153 0.000 0.962 478 Q CA 0.650 56.541 55.803 0.146 0.000 0.879 478 Q CB -0.275 28.565 28.738 0.169 0.000 0.947 478 Q HN 0.496 nan 8.270 nan 0.000 0.462 479 L N -0.213 121.106 121.223 0.160 0.000 2.209 479 L HA -0.121 4.219 4.340 0.000 0.000 0.207 479 L C 2.374 179.323 176.870 0.132 0.000 1.094 479 L CA 0.532 55.450 54.840 0.130 0.000 0.790 479 L CB -0.076 42.063 42.059 0.134 0.000 0.932 479 L HN 0.228 nan 8.230 nan 0.000 0.447 480 Q N -0.051 119.837 119.800 0.147 0.000 2.079 480 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 480 Q C 2.299 178.426 176.000 0.211 0.000 0.974 480 Q CA 1.712 57.629 55.803 0.189 0.000 0.840 480 Q CB -0.190 28.640 28.738 0.154 0.000 0.898 480 Q HN 0.492 nan 8.270 nan 0.000 0.430 481 A N 0.365 123.289 122.820 0.173 0.000 2.121 481 A HA -0.097 4.223 4.320 0.000 0.000 0.218 481 A C 1.885 179.574 177.584 0.174 0.000 1.154 481 A CA 0.722 52.869 52.037 0.184 0.000 0.679 481 A CB -0.283 18.819 19.000 0.171 0.000 0.795 481 A HN 0.258 nan 8.150 nan 0.000 0.458 482 I N -1.982 118.674 120.570 0.144 0.000 2.480 482 I HA -0.115 4.055 4.170 0.000 0.000 0.251 482 I C 2.301 178.476 176.117 0.098 0.000 1.124 482 I CA 1.022 62.374 61.300 0.087 0.000 1.444 482 I CB -1.347 36.688 38.000 0.059 0.000 1.098 482 I HN 0.479 nan 8.210 nan 0.000 0.428 483 Y N 2.352 122.649 120.300 -0.004 0.000 2.181 483 Y HA -0.185 4.365 4.550 0.000 0.000 0.288 483 Y C 2.445 178.341 175.900 -0.007 0.000 1.146 483 Y CA 1.463 59.552 58.100 -0.017 0.000 1.164 483 Y CB -0.570 37.893 38.460 0.006 0.000 0.982 483 Y HN 0.022 nan 8.280 nan 0.000 0.515 484 L N -0.686 120.527 121.223 -0.017 0.000 2.017 484 L HA -0.202 4.138 4.340 0.000 0.000 0.208 484 L C 2.749 179.584 176.870 -0.058 0.000 1.073 484 L CA 1.271 56.099 54.840 -0.019 0.000 0.745 484 L CB -1.206 40.987 42.059 0.224 0.000 0.894 484 L HN 0.239 nan 8.230 nan 0.000 0.432 485 A N -0.011 122.762 122.820 -0.079 0.000 1.978 485 A HA -0.174 4.146 4.320 0.000 0.000 0.220 485 A C 2.242 179.418 177.584 -0.681 0.000 1.170 485 A CA 1.545 53.310 52.037 -0.454 0.000 0.636 485 A CB -0.593 18.255 19.000 -0.253 0.000 0.810 485 A HN 0.397 nan 8.150 nan 0.000 0.448 486 L N -1.501 119.496 121.223 -0.376 0.000 2.209 486 L HA -0.121 4.219 4.340 0.000 0.000 0.207 486 L C 2.812 179.505 176.870 -0.295 0.000 1.094 486 L CA 0.848 55.491 54.840 -0.327 0.000 0.790 486 L CB -0.343 41.616 42.059 -0.167 0.000 0.932 486 L HN 0.453 nan 8.230 nan 0.000 0.447 487 Q N 0.063 119.682 119.800 -0.303 0.000 2.020 487 Q HA -0.171 4.169 4.340 0.000 0.000 0.198 487 Q C 0.730 176.631 176.000 -0.165 0.000 0.974 487 Q CA 1.425 57.079 55.803 -0.248 0.000 0.829 487 Q CB -0.010 28.536 28.738 -0.320 0.000 0.894 487 Q HN 0.395 nan 8.270 nan 0.000 0.433 488 D N 0.644 120.960 120.400 -0.139 0.000 2.344 488 D HA 0.003 4.643 4.640 0.000 0.000 0.242 488 D C -0.235 176.039 176.300 -0.043 0.000 1.159 488 D CA 0.084 54.072 54.000 -0.020 0.000 0.859 488 D CB 0.103 41.003 40.800 0.166 0.000 0.925 488 D HN 0.115 nan 8.370 nan 0.000 0.510 489 S N -1.955 113.622 115.700 -0.204 0.000 2.751 489 S HA 0.794 5.264 4.470 0.000 0.000 0.310 489 S C 0.717 175.254 174.600 -0.104 0.000 1.128 489 S CA -0.917 57.156 58.200 -0.213 0.000 0.931 489 S CB 1.647 64.476 63.200 -0.618 0.000 1.177 489 S HN 0.053 nan 8.310 nan 0.000 0.530 490 G N -0.348 108.417 108.800 -0.058 0.000 2.494 490 G HA2 0.427 4.387 3.960 0.000 0.000 0.270 490 G HA3 0.427 4.387 3.960 0.000 0.000 0.270 490 G C 0.260 175.130 174.900 -0.050 0.000 1.423 490 G CA -0.653 44.430 45.100 -0.029 0.000 1.055 490 G HN 0.493 nan 8.290 nan 0.000 0.536 491 L N -0.478 120.730 121.223 -0.025 0.000 2.240 491 L HA 0.200 4.540 4.340 0.000 0.000 0.211 491 L C 1.222 178.078 176.870 -0.023 0.000 1.106 491 L CA 1.015 55.842 54.840 -0.022 0.000 0.793 491 L CB -0.586 41.470 42.059 -0.004 0.000 0.927 491 L HN 0.470 nan 8.230 nan 0.000 0.446 492 E N -0.638 119.552 120.200 -0.016 0.000 2.182 492 E HA 0.533 4.883 4.350 0.000 0.000 0.258 492 E C -1.157 175.436 176.600 -0.011 0.000 0.879 492 E CA -0.335 56.062 56.400 -0.005 0.000 0.754 492 E CB 2.100 31.807 29.700 0.012 0.000 1.162 492 E HN -0.147 nan 8.360 nan 0.000 0.419 493 V N 1.676 121.571 119.914 -0.032 0.000 3.001 493 V HA 0.516 4.636 4.120 0.000 0.000 0.314 493 V C -0.395 175.709 176.094 0.016 0.000 1.099 493 V CA -1.203 61.064 62.300 -0.056 0.000 0.989 493 V CB 2.184 33.870 31.823 -0.229 0.000 1.040 493 V HN 0.559 nan 8.190 nan 0.000 0.434 494 N N 2.088 120.824 118.700 0.059 0.000 2.540 494 N HA 0.592 5.332 4.740 0.000 0.000 0.275 494 N C -1.265 174.276 175.510 0.052 0.000 1.053 494 N CA -0.161 52.954 53.050 0.108 0.000 0.876 494 N CB 1.910 40.475 38.487 0.130 0.000 1.284 494 N HN 0.657 nan 8.380 nan 0.000 0.518 495 I N 1.179 121.736 120.570 -0.020 0.000 2.354 495 I HA 0.342 4.512 4.170 0.000 0.000 0.292 495 I C 0.095 176.158 176.117 -0.090 0.000 0.989 495 I CA -1.152 60.122 61.300 -0.043 0.000 1.188 495 I CB 2.051 40.007 38.000 -0.074 0.000 1.342 495 I HN 0.051 nan 8.210 nan 0.000 0.457 496 V N 5.810 125.647 119.914 -0.129 0.000 2.350 496 V HA 0.506 4.626 4.120 0.000 0.000 0.285 496 V C -0.295 175.779 176.094 -0.034 0.000 1.014 496 V CA 0.158 62.368 62.300 -0.149 0.000 0.831 496 V CB 1.585 33.218 31.823 -0.317 0.000 1.000 496 V HN 0.854 nan 8.190 nan 0.000 0.433 497 T N 3.362 117.913 114.554 -0.004 0.000 2.952 497 T HA 0.446 4.796 4.350 0.000 0.000 0.286 497 T C 0.417 175.081 174.700 -0.059 0.000 1.024 497 T CA 0.133 62.255 62.100 0.037 0.000 1.029 497 T CB 1.641 70.568 68.868 0.099 0.000 1.094 497 T HN 0.922 nan 8.240 nan 0.000 0.515 498 D N 0.808 121.186 120.400 -0.036 0.000 2.431 498 D HA 0.128 4.768 4.640 0.000 0.000 0.213 498 D C 0.279 176.718 176.300 0.232 0.000 1.130 498 D CA -0.243 53.659 54.000 -0.163 0.000 0.834 498 D CB 0.095 40.797 40.800 -0.163 0.000 0.985 498 D HN 0.265 nan 8.370 nan 0.000 0.504 499 S N 0.206 116.103 115.700 0.327 0.000 2.438 499 S HA 0.176 4.646 4.470 0.000 0.000 0.293 499 S C 1.028 175.836 174.600 0.347 0.000 1.141 499 S CA -0.464 57.939 58.200 0.338 0.000 1.080 499 S CB 1.640 64.985 63.200 0.241 0.000 0.978 499 S HN 0.081 nan 8.310 nan 0.000 0.479 500 Q N 3.392 123.327 119.800 0.226 0.000 2.033 500 Q HA -0.102 4.238 4.340 0.000 0.000 0.196 500 Q C 1.360 177.360 176.000 0.000 0.000 0.970 500 Q CA 1.402 57.169 55.803 -0.060 0.000 0.828 500 Q CB -0.435 28.225 28.738 -0.130 0.000 0.895 500 Q HN 0.968 nan 8.270 nan 0.000 0.440 501 Y N 1.851 122.147 120.300 -0.007 0.000 2.002 501 Y HA -0.389 4.161 4.550 0.000 0.000 0.268 501 Y C 2.292 178.200 175.900 0.013 0.000 1.177 501 Y CA 2.003 60.110 58.100 0.010 0.000 1.111 501 Y CB -0.724 37.758 38.460 0.036 0.000 0.952 501 Y HN 0.101 nan 8.280 nan 0.000 0.491 502 A N 0.305 123.028 122.820 -0.162 0.000 1.865 502 A HA -0.214 4.106 4.320 0.000 0.000 0.217 502 A C 2.301 179.786 177.584 -0.166 0.000 1.191 502 A CA 1.946 53.851 52.037 -0.220 0.000 0.623 502 A CB -1.476 17.546 19.000 0.035 0.000 0.826 502 A HN 0.671 nan 8.150 nan 0.000 0.444 503 L N 0.155 121.342 121.223 -0.061 0.000 2.042 503 L HA -0.074 4.266 4.340 0.000 0.000 0.210 503 L C 2.347 179.162 176.870 -0.092 0.000 1.076 503 L CA 2.510 57.320 54.840 -0.049 0.000 0.749 503 L CB -0.927 41.128 42.059 -0.008 0.000 0.893 503 L HN 0.308 nan 8.230 nan 0.000 0.432 504 G N -0.091 108.622 108.800 -0.144 0.000 2.440 504 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 504 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 504 G C 1.583 176.455 174.900 -0.046 0.000 1.154 504 G CA 1.295 46.312 45.100 -0.140 0.000 0.767 504 G HN 0.507 nan 8.290 nan 0.000 0.552 505 I N 0.553 121.031 120.570 -0.154 0.000 2.142 505 I HA -0.130 4.040 4.170 0.000 0.000 0.240 505 I C 2.654 178.772 176.117 0.001 0.000 1.078 505 I CA 0.983 62.197 61.300 -0.144 0.000 1.343 505 I CB -0.254 37.476 38.000 -0.450 0.000 1.046 505 I HN 0.134 nan 8.210 nan 0.000 0.405 506 I N 0.202 120.769 120.570 -0.006 0.000 2.361 506 I HA -0.285 3.885 4.170 0.000 0.000 0.251 506 I C 2.475 178.726 176.117 0.223 0.000 1.133 506 I CA 1.252 62.619 61.300 0.111 0.000 1.413 506 I CB -0.452 37.578 38.000 0.051 0.000 1.073 506 I HN 0.330 nan 8.210 nan 0.000 0.424 507 Q N 0.646 120.569 119.800 0.205 0.000 2.224 507 Q HA -0.085 4.255 4.340 0.000 0.000 0.203 507 Q C 2.109 178.437 176.000 0.547 0.000 0.970 507 Q CA 1.278 57.274 55.803 0.321 0.000 0.865 507 Q CB -0.089 28.762 28.738 0.189 0.000 0.922 507 Q HN 0.571 nan 8.270 nan 0.000 0.445 508 A N 0.402 123.548 122.820 0.543 0.000 2.259 508 A HA -0.046 4.274 4.320 0.000 0.000 0.208 508 A C 0.020 177.771 177.584 0.279 0.000 1.201 508 A CA -0.047 52.283 52.037 0.488 0.000 0.824 508 A CB -0.147 19.142 19.000 0.482 0.000 0.838 508 A HN 0.381 nan 8.150 nan 0.000 0.485 509 Q N -1.318 118.608 119.800 0.211 0.000 2.426 509 Q HA -0.160 4.180 4.340 0.000 0.000 0.359 509 Q C -2.381 173.594 176.000 -0.042 0.000 1.381 509 Q CA 0.208 55.981 55.803 -0.051 0.000 1.060 509 Q CB -1.569 27.030 28.738 -0.231 0.000 1.253 509 Q HN 0.459 nan 8.270 nan 0.000 0.363 510 P HA 0.021 nan 4.420 nan 0.000 0.278 510 P C -0.047 177.357 177.300 0.172 0.000 1.238 510 P CA -0.038 63.148 63.100 0.143 0.000 0.794 510 P CB 0.679 32.486 31.700 0.177 0.000 0.955 511 D N -0.193 120.285 120.400 0.131 0.000 2.500 511 D HA 0.051 4.691 4.640 0.000 0.000 0.217 511 D C -0.193 176.143 176.300 0.061 0.000 1.159 511 D CA -0.054 54.024 54.000 0.129 0.000 0.828 511 D CB 0.246 41.177 40.800 0.218 0.000 1.039 511 D HN 0.463 nan 8.370 nan 0.000 0.512 512 E N -1.620 118.629 120.200 0.081 0.000 2.407 512 E HA 0.572 4.922 4.350 0.000 0.000 0.279 512 E C -1.335 175.324 176.600 0.097 0.000 1.012 512 E CA -1.157 55.277 56.400 0.057 0.000 0.800 512 E CB 1.670 31.398 29.700 0.047 0.000 1.276 512 E HN -0.046 nan 8.360 nan 0.000 0.452 513 S N -0.354 115.395 115.700 0.082 0.000 2.578 513 S HA 0.165 4.635 4.470 0.000 0.000 0.272 513 S C -0.399 174.238 174.600 0.061 0.000 1.145 513 S CA -0.492 57.785 58.200 0.127 0.000 0.835 513 S CB 1.812 65.162 63.200 0.249 0.000 1.104 513 S HN 0.621 nan 8.310 nan 0.000 0.458 514 E N 0.888 121.104 120.200 0.027 0.000 2.285 514 E HA 0.050 4.400 4.350 0.000 0.000 0.194 514 E C 0.258 176.877 176.600 0.032 0.000 0.997 514 E CA 0.362 56.764 56.400 0.004 0.000 0.845 514 E CB 0.258 29.937 29.700 -0.036 0.000 0.782 514 E HN 0.415 nan 8.360 nan 0.000 0.491 515 S N 0.530 116.280 115.700 0.083 0.000 2.438 515 S HA 0.077 4.547 4.470 0.000 0.000 0.293 515 S C 0.671 175.297 174.600 0.043 0.000 1.141 515 S CA -0.514 57.738 58.200 0.087 0.000 1.080 515 S CB 1.532 64.833 63.200 0.169 0.000 0.978 515 S HN -0.003 nan 8.310 nan 0.000 0.479 516 E N 3.931 124.134 120.200 0.005 0.000 2.153 516 E HA -0.081 4.269 4.350 0.000 0.000 0.194 516 E C 1.619 178.164 176.600 -0.092 0.000 0.988 516 E CA 1.242 57.621 56.400 -0.035 0.000 0.811 516 E CB -0.198 29.483 29.700 -0.031 0.000 0.746 516 E HN 0.819 nan 8.360 nan 0.000 0.466 517 L N -0.679 120.492 121.223 -0.085 0.000 2.017 517 L HA -0.177 4.163 4.340 0.000 0.000 0.208 517 L C 2.130 178.874 176.870 -0.211 0.000 1.073 517 L CA 1.081 55.817 54.840 -0.173 0.000 0.745 517 L CB -0.170 41.843 42.059 -0.077 0.000 0.894 517 L HN 0.102 nan 8.230 nan 0.000 0.432 518 V N 0.033 119.890 119.914 -0.094 0.000 2.407 518 V HA -0.273 3.847 4.120 0.000 0.000 0.248 518 V C 2.215 178.256 176.094 -0.088 0.000 1.055 518 V CA 1.709 63.954 62.300 -0.092 0.000 1.049 518 V CB -0.858 30.934 31.823 -0.051 0.000 0.662 518 V HN 0.502 nan 8.190 nan 0.000 0.455 519 N N 0.891 119.550 118.700 -0.068 0.000 2.104 519 N HA -0.200 4.540 4.740 0.000 0.000 0.190 519 N C 1.991 177.433 175.510 -0.112 0.000 1.024 519 N CA 1.819 54.831 53.050 -0.064 0.000 0.853 519 N CB -0.294 38.161 38.487 -0.053 0.000 1.008 519 N HN 0.776 nan 8.380 nan 0.000 0.424 520 Q N -0.220 119.461 119.800 -0.198 0.000 2.331 520 Q HA 0.092 4.432 4.340 0.000 0.000 0.203 520 Q C 1.842 177.723 176.000 -0.200 0.000 0.944 520 Q CA 0.585 56.251 55.803 -0.229 0.000 0.892 520 Q CB -0.124 28.415 28.738 -0.331 0.000 0.983 520 Q HN 0.371 nan 8.270 nan 0.000 0.482 521 I N 0.837 121.264 120.570 -0.239 0.000 2.546 521 I HA -0.186 3.984 4.170 0.000 0.000 0.255 521 I C 2.118 178.174 176.117 -0.102 0.000 1.163 521 I CA 0.804 62.050 61.300 -0.090 0.000 1.457 521 I CB -0.132 37.812 38.000 -0.094 0.000 1.092 521 I HN 0.152 nan 8.210 nan 0.000 0.434 522 I N 0.684 121.192 120.570 -0.104 0.000 2.193 522 I HA -0.268 3.902 4.170 0.000 0.000 0.240 522 I C 2.627 178.674 176.117 -0.117 0.000 1.084 522 I CA 1.356 62.598 61.300 -0.098 0.000 1.365 522 I CB -0.410 37.600 38.000 0.016 0.000 1.064 522 I HN 0.226 nan 8.210 nan 0.000 0.410 523 E N 0.690 120.838 120.200 -0.086 0.000 2.130 523 E HA -0.349 4.001 4.350 0.000 0.000 0.196 523 E C 2.138 178.702 176.600 -0.059 0.000 0.998 523 E CA 1.662 58.016 56.400 -0.078 0.000 0.806 523 E CB 0.062 29.727 29.700 -0.058 0.000 0.738 523 E HN 0.363 nan 8.360 nan 0.000 0.459 524 Q N 0.207 119.982 119.800 -0.041 0.000 2.083 524 Q HA -0.040 4.300 4.340 0.000 0.000 0.198 524 Q C 2.171 178.104 176.000 -0.112 0.000 0.969 524 Q CA 1.094 56.874 55.803 -0.038 0.000 0.838 524 Q CB -0.066 28.689 28.738 0.028 0.000 0.900 524 Q HN 0.350 nan 8.270 nan 0.000 0.436 525 L N -0.122 120.971 121.223 -0.215 0.000 2.131 525 L HA -0.158 4.182 4.340 0.000 0.000 0.210 525 L C 2.082 178.814 176.870 -0.229 0.000 1.092 525 L CA 0.898 55.524 54.840 -0.356 0.000 0.759 525 L CB -0.363 41.197 42.059 -0.832 0.000 0.903 525 L HN 0.296 nan 8.230 nan 0.000 0.435 526 I N -0.660 119.838 120.570 -0.121 0.000 2.315 526 I HA -0.249 3.921 4.170 0.000 0.000 0.248 526 I C 2.340 178.486 176.117 0.049 0.000 1.117 526 I CA 1.204 62.544 61.300 0.065 0.000 1.404 526 I CB -0.322 37.718 38.000 0.067 0.000 1.071 526 I HN 0.159 nan 8.210 nan 0.000 0.419 527 K N 0.768 121.164 120.400 -0.007 0.000 2.362 527 K HA -0.037 4.283 4.320 0.000 0.000 0.200 527 K C 0.728 177.324 176.600 -0.006 0.000 1.046 527 K CA 0.565 56.850 56.287 -0.003 0.000 0.952 527 K CB 0.149 32.637 32.500 -0.020 0.000 0.753 527 K HN 0.181 nan 8.250 nan 0.000 0.466 528 K N 0.524 120.912 120.400 -0.021 0.000 2.118 528 K HA 0.035 4.355 4.320 0.000 0.000 0.240 528 K C 0.852 177.461 176.600 0.015 0.000 1.035 528 K CA 0.263 56.537 56.287 -0.021 0.000 0.899 528 K CB 0.893 33.361 32.500 -0.053 0.000 1.085 528 K HN 0.016 nan 8.250 nan 0.000 0.498 529 E N 0.368 120.576 120.200 0.014 0.000 2.228 529 E HA 0.059 4.409 4.350 0.000 0.000 0.197 529 E C -0.483 176.141 176.600 0.040 0.000 0.909 529 E CA 0.491 56.909 56.400 0.030 0.000 0.911 529 E CB 0.665 30.378 29.700 0.021 0.000 0.887 529 E HN 0.264 nan 8.360 nan 0.000 0.481 530 K N 0.618 121.037 120.400 0.031 0.000 2.581 530 K HA 0.414 4.734 4.320 0.000 0.000 0.249 530 K C -1.747 174.877 176.600 0.040 0.000 0.966 530 K CA -0.457 55.857 56.287 0.046 0.000 0.811 530 K CB 2.970 35.495 32.500 0.041 0.000 1.223 530 K HN -0.154 nan 8.250 nan 0.000 0.438 531 V N 3.155 123.106 119.914 0.061 0.000 2.588 531 V HA 0.364 4.484 4.120 0.000 0.000 0.304 531 V C -1.482 174.685 176.094 0.122 0.000 1.042 531 V CA -0.927 61.400 62.300 0.046 0.000 0.877 531 V CB 1.555 33.370 31.823 -0.013 0.000 0.996 531 V HN 0.693 nan 8.190 nan 0.000 0.425 532 Y N 5.589 125.882 120.300 -0.010 0.000 2.326 532 Y HA 0.762 5.312 4.550 0.000 0.000 0.331 532 Y C -1.102 174.796 175.900 -0.003 0.000 0.962 532 Y CA -0.983 57.119 58.100 0.004 0.000 1.167 532 Y CB 1.646 40.107 38.460 0.001 0.000 1.148 532 Y HN 0.610 nan 8.280 nan 0.000 0.463 533 L N 5.864 126.764 121.223 -0.539 0.000 2.317 533 L HA 0.960 5.300 4.340 0.000 0.000 0.281 533 L C -1.056 175.436 176.870 -0.629 0.000 1.024 533 L CA -0.379 54.208 54.840 -0.422 0.000 0.810 533 L CB 1.367 43.314 42.059 -0.187 0.000 1.240 533 L HN 0.769 nan 8.230 nan 0.000 0.427 534 A N 3.507 126.110 122.820 -0.361 0.000 2.566 534 A HA 0.714 5.034 4.320 0.000 0.000 0.292 534 A C -2.234 175.368 177.584 0.031 0.000 1.112 534 A CA -0.564 51.357 52.037 -0.193 0.000 0.707 534 A CB 0.889 19.811 19.000 -0.131 0.000 1.302 534 A HN 0.771 nan 8.150 nan 0.000 0.409 535 W N 0.870 122.117 121.300 -0.088 0.000 2.689 535 W HA 0.638 5.298 4.660 0.000 0.000 0.340 535 W C -1.007 175.506 176.519 -0.009 0.000 1.060 535 W CA -0.293 57.024 57.345 -0.047 0.000 1.218 535 W CB 2.031 31.454 29.460 -0.060 0.000 1.410 535 W HN 0.948 nan 8.180 nan 0.000 0.528 536 V N 2.477 121.705 119.914 -1.144 0.000 2.971 536 V HA 0.636 4.756 4.120 0.000 0.000 0.309 536 V C -2.844 172.303 176.094 -1.578 0.000 1.130 536 V CA -3.011 58.660 62.300 -1.048 0.000 0.964 536 V CB 1.633 33.205 31.823 -0.418 0.000 1.029 536 V HN 0.462 nan 8.190 nan 0.000 0.427 537 P HA 0.338 nan 4.420 nan 0.000 0.271 537 P C 0.830 177.916 177.300 -0.358 0.000 1.233 537 P CA 0.688 63.431 63.100 -0.595 0.000 0.764 537 P CB 1.282 32.842 31.700 -0.234 0.000 0.825 538 A N 4.943 127.582 122.820 -0.302 0.000 2.007 538 A HA -0.249 4.071 4.320 0.000 0.000 0.214 538 A C 1.081 178.511 177.584 -0.255 0.000 1.302 538 A CA 1.646 53.487 52.037 -0.326 0.000 0.770 538 A CB -1.778 16.935 19.000 -0.479 0.000 0.831 538 A HN 0.606 nan 8.150 nan 0.000 0.491 539 H N 0.272 119.330 119.070 -0.020 0.000 2.930 539 H HA 0.392 4.948 4.556 0.000 0.000 0.307 539 H C -0.067 175.248 175.328 -0.023 0.000 1.247 539 H CA 0.248 56.285 56.048 -0.018 0.000 1.181 539 H CB -0.680 29.079 29.762 -0.004 0.000 1.390 539 H HN 0.280 nan 8.280 nan 0.000 0.549 540 K N -0.359 120.060 120.400 0.031 0.000 2.419 540 K HA 0.432 4.752 4.320 0.000 0.000 0.246 540 K C 1.407 178.011 176.600 0.006 0.000 1.037 540 K CA -0.423 55.870 56.287 0.009 0.000 0.982 540 K CB 0.618 33.101 32.500 -0.029 0.000 1.283 540 K HN 0.230 nan 8.250 nan 0.000 0.500 541 G N 0.614 109.411 108.800 -0.006 0.000 3.562 541 G HA2 0.190 4.150 3.960 0.000 0.000 0.279 541 G HA3 0.190 4.150 3.960 0.000 0.000 0.279 541 G C -0.342 174.541 174.900 -0.028 0.000 1.314 541 G CA -0.231 44.861 45.100 -0.014 0.000 1.189 541 G HN 0.356 nan 8.290 nan 0.000 0.562 542 I N 2.066 122.615 120.570 -0.035 0.000 2.494 542 I HA 0.151 4.322 4.170 0.000 0.000 0.289 542 I C 1.403 177.473 176.117 -0.079 0.000 1.106 542 I CA -0.103 61.173 61.300 -0.040 0.000 1.369 542 I CB 0.700 38.680 38.000 -0.033 0.000 1.410 542 I HN 0.121 nan 8.210 nan 0.000 0.523 543 G N 4.380 113.125 108.800 -0.092 0.000 2.248 543 G HA2 0.369 4.329 3.960 0.000 0.000 0.260 543 G HA3 0.369 4.329 3.960 0.000 0.000 0.260 543 G C 0.909 175.572 174.900 -0.395 0.000 1.214 543 G CA 0.415 45.412 45.100 -0.172 0.000 0.979 543 G HN 1.088 nan 8.290 nan 0.000 0.454 544 G N 2.806 111.279 108.800 -0.545 0.000 2.799 544 G HA2 -0.317 3.643 3.960 0.000 0.000 0.200 544 G HA3 -0.317 3.643 3.960 0.000 0.000 0.200 544 G C 1.340 175.883 174.900 -0.594 0.000 1.206 544 G CA 0.756 45.141 45.100 -1.193 0.000 0.827 544 G HN 0.862 nan 8.290 nan 0.000 0.511 545 N N 1.245 119.809 118.700 -0.227 0.000 2.173 545 N HA 0.024 4.764 4.740 0.000 0.000 0.184 545 N C 1.834 177.324 175.510 -0.035 0.000 1.025 545 N CA 2.110 55.158 53.050 -0.002 0.000 0.852 545 N CB -0.320 38.183 38.487 0.027 0.000 0.998 545 N HN 0.571 nan 8.380 nan 0.000 0.427 546 E N -0.381 119.781 120.200 -0.062 0.000 2.147 546 E HA -0.280 4.070 4.350 0.000 0.000 0.199 546 E C 1.672 178.246 176.600 -0.043 0.000 1.005 546 E CA 1.479 57.857 56.400 -0.038 0.000 0.810 546 E CB 0.014 29.683 29.700 -0.052 0.000 0.736 546 E HN 0.609 nan 8.360 nan 0.000 0.460 547 Q N -0.500 119.252 119.800 -0.079 0.000 2.137 547 Q HA -0.094 4.246 4.340 0.000 0.000 0.198 547 Q C 2.366 178.343 176.000 -0.040 0.000 0.960 547 Q CA 1.481 57.241 55.803 -0.072 0.000 0.847 547 Q CB -0.117 28.554 28.738 -0.112 0.000 0.915 547 Q HN 0.319 nan 8.270 nan 0.000 0.448 548 V N 0.680 120.584 119.914 -0.016 0.000 2.719 548 V HA -0.140 3.980 4.120 0.000 0.000 0.252 548 V C 1.800 177.910 176.094 0.028 0.000 1.065 548 V CA 1.657 63.969 62.300 0.020 0.000 1.086 548 V CB -0.648 31.220 31.823 0.076 0.000 0.700 548 V HN 0.129 nan 8.190 nan 0.000 0.467 549 D N 0.813 121.232 120.400 0.032 0.000 2.117 549 D HA -0.190 4.450 4.640 0.000 0.000 0.197 549 D C 2.186 178.498 176.300 0.019 0.000 0.987 549 D CA 1.515 55.544 54.000 0.049 0.000 0.829 549 D CB -0.056 40.790 40.800 0.075 0.000 0.961 549 D HN 0.419 nan 8.370 nan 0.000 0.460 550 K N -0.481 119.917 120.400 -0.002 0.000 2.057 550 K HA -0.019 4.301 4.320 0.000 0.000 0.206 550 K C 2.303 178.893 176.600 -0.016 0.000 1.050 550 K CA 0.574 56.850 56.287 -0.018 0.000 0.935 550 K CB -0.108 32.375 32.500 -0.028 0.000 0.715 550 K HN 0.133 nan 8.250 nan 0.000 0.439 551 L N 0.613 121.826 121.223 -0.016 0.000 2.017 551 L HA -0.141 4.199 4.340 0.000 0.000 0.208 551 L C 1.956 178.818 176.870 -0.012 0.000 1.073 551 L CA 1.083 55.911 54.840 -0.020 0.000 0.745 551 L CB -0.213 41.829 42.059 -0.029 0.000 0.894 551 L HN 0.162 nan 8.230 nan 0.000 0.432 552 V N -4.592 115.323 119.914 0.002 0.000 3.636 552 V HA 0.112 4.232 4.120 0.000 0.000 0.279 552 V C 0.607 176.708 176.094 0.013 0.000 1.263 552 V CA -0.099 62.208 62.300 0.012 0.000 1.182 552 V CB -0.496 31.345 31.823 0.030 0.000 0.955 552 V HN 0.183 nan 8.190 nan 0.000 0.443 553 S N 1.222 116.924 115.700 0.004 0.000 2.449 553 S HA 0.932 5.402 4.470 0.000 0.000 0.310 553 S C -0.034 174.562 174.600 -0.006 0.000 1.096 553 S CA 0.308 58.508 58.200 -0.000 0.000 1.095 553 S CB 1.457 64.653 63.200 -0.008 0.000 1.007 553 S HN 1.346 nan 8.310 nan 0.000 0.474 554 A N 0.000 122.818 122.820 -0.004 0.000 2.254 554 A HA 0.000 4.320 4.320 0.000 0.000 0.244 554 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 554 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486