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 2ecp_1_B DATA FIRST_RESID 18 DATA SEQUENCE SQPIFNDKQF QEALSRQWXQ RYGLNAAEMT PRQWWLAVSE ALAEMLRAQX DATA SEQUENCE XXXPFAKPVA NQRHVNYISM EFLIGRLTGN NLLNLGWYQD VQDSLKAYDI DATA SEQUENCE NLTDLLEEEI DPALGNGGLG RLAACFLDSM ATVGQSATGY GLNYQYGLFR DATA SEQUENCE QSFVDGKQVE APDDWHRSNY PWFRHNEALD VQVGIGGAVT KXXXDGRWEP DATA SEQUENCE EFTITGQAWD LPVVGYRNGV AQPLRLWQAT HAHPFDLTKF NDGDFLRAEQ DATA SEQUENCE QGINAEKLTK VLYPNDNHTA GKKLRLMQQY FQCACSVADI LRRHHLAGRX DATA SEQUENCE XXXXXXXELH ELADYEVIQL NDTHPTIAIP ELLRVLIDEH QMSWDDAWAI DATA SEQUENCE TSKTFAYTNH TLMPEALERW DVKLVKGLLP RHMQIINEIN TRFKTLVEKT DATA SEQUENCE WPGDEKVWAK LAVVHDXXXK QVHMANLCVV GGFAVNGVAA LHSDLVVKDL DATA SEQUENCE FPEYHQLWPN KFHNVTNGIT PRRWIKQCNP ALAALLDKSL QKEWANDLDQ DATA SEQUENCE LINLVKLADD AKFRDLYRVI KQANKVRLAE FVKVRTGIDI NPQAIFDIQI DATA SEQUENCE KRLHEYKRQH LNLLRILALY KEIRENPQAD RVPRVFLFGA KAAPGYYLAK DATA SEQUENCE NIIFAINKVA DVINNDPLVG DKLKVVFLPD YCVSAAEKLI PAADISEQIS DATA SEQUENCE TAGKEASGTG NMKLALNGAL TVGTLDGANV EIAEKVGEEN IFIFGHTVKQ DATA SEQUENCE VKAILAKGYD PVKWRKKDKV LDAVLKELES GKYSDGDKHA FDQMLHSIQG DATA SEQUENCE GDPYLVMADF AAYVEAQKQV DVLYRDQEAW TRAAILNTAR CGMFSSDRSI DATA SEQUENCE RDYQARIWQA ARXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXSXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGK 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 18 S HA 0.000 nan 4.470 nan 0.000 0.327 18 S C 0.000 174.613 174.600 0.021 0.000 1.055 18 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 18 S CB 0.000 63.115 63.200 -0.142 0.000 0.593 19 Q N 1.587 121.376 119.800 -0.019 0.000 1.916 19 Q HA 0.172 4.512 4.340 -0.000 0.000 0.203 19 Q C -1.654 174.403 176.000 0.096 0.000 0.983 19 Q CA 1.087 56.897 55.803 0.012 0.000 0.846 19 Q CB -1.103 27.615 28.738 -0.033 0.000 0.909 19 Q HN 0.435 nan 8.270 nan 0.000 0.427 20 P HA 0.005 nan 4.420 nan 0.000 0.263 20 P C -0.902 176.712 177.300 0.523 0.000 1.195 20 P CA 0.837 64.119 63.100 0.303 0.000 0.762 20 P CB 0.188 32.048 31.700 0.267 0.000 0.799 21 I N 4.450 125.201 120.570 0.303 0.000 2.312 21 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 21 I C 0.576 176.598 176.117 -0.158 0.000 1.031 21 I CA -0.759 60.621 61.300 0.133 0.000 1.293 21 I CB 0.170 38.191 38.000 0.035 0.000 1.403 21 I HN 0.305 nan 8.210 nan 0.000 0.484 22 F N 8.581 128.094 119.950 -0.728 0.000 2.533 22 F HA 0.093 4.619 4.527 -0.000 0.000 0.378 22 F C 0.454 175.895 175.800 -0.599 0.000 1.070 22 F CA 0.160 57.351 58.000 -1.348 0.000 1.172 22 F CB 0.124 38.124 39.000 -1.667 0.000 1.085 22 F HN 0.467 nan 8.300 nan 0.000 0.552 23 N N 5.149 123.225 118.700 -1.040 0.000 2.419 23 N HA 0.041 4.781 4.740 -0.000 0.000 0.277 23 N C 0.191 175.178 175.510 -0.872 0.000 1.006 23 N CA -0.294 52.353 53.050 -0.673 0.000 0.923 23 N CB 1.352 39.607 38.487 -0.388 0.000 1.140 23 N HN 0.831 nan 8.380 nan 0.000 0.488 24 D N 2.788 122.906 120.400 -0.470 0.000 2.144 24 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 24 D C 1.765 178.018 176.300 -0.077 0.000 0.978 24 D CA 1.269 55.142 54.000 -0.212 0.000 0.833 24 D CB 0.419 41.248 40.800 0.047 0.000 0.961 24 D HN 0.532 nan 8.370 nan 0.000 0.470 25 K N 0.087 120.426 120.400 -0.102 0.000 2.026 25 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 25 K C 2.156 178.698 176.600 -0.096 0.000 1.048 25 K CA 1.185 57.431 56.287 -0.068 0.000 0.929 25 K CB -0.089 32.368 32.500 -0.071 0.000 0.713 25 K HN 0.158 nan 8.250 nan 0.000 0.439 26 Q N -0.357 119.349 119.800 -0.157 0.000 2.077 26 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 26 Q C 1.992 177.917 176.000 -0.126 0.000 0.989 26 Q CA 2.062 57.770 55.803 -0.159 0.000 0.853 26 Q CB -0.202 28.404 28.738 -0.219 0.000 0.907 26 Q HN 0.344 nan 8.270 nan 0.000 0.418 27 F N 1.064 120.818 119.950 -0.327 0.000 2.060 27 F HA -0.211 4.316 4.527 -0.000 0.000 0.295 27 F C 2.353 178.111 175.800 -0.070 0.000 1.120 27 F CA 1.617 59.489 58.000 -0.212 0.000 1.205 27 F CB -0.375 38.465 39.000 -0.266 0.000 0.986 27 F HN 0.087 nan 8.300 nan 0.000 0.470 28 Q N 0.492 120.264 119.800 -0.047 0.000 2.173 28 Q HA -0.264 4.075 4.340 -0.000 0.000 0.208 28 Q C 2.042 177.948 176.000 -0.157 0.000 0.989 28 Q CA 2.296 58.060 55.803 -0.066 0.000 0.872 28 Q CB -0.607 28.205 28.738 0.123 0.000 0.909 28 Q HN 0.653 nan 8.270 nan 0.000 0.420 29 E N 0.472 120.577 120.200 -0.159 0.000 2.076 29 E HA -0.050 4.299 4.350 -0.000 0.000 0.190 29 E C 2.031 178.470 176.600 -0.268 0.000 0.979 29 E CA 0.715 57.005 56.400 -0.184 0.000 0.807 29 E CB -0.113 29.503 29.700 -0.141 0.000 0.761 29 E HN 0.341 nan 8.360 nan 0.000 0.454 30 A N 1.322 123.978 122.820 -0.275 0.000 1.908 30 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 30 A C 2.169 179.509 177.584 -0.406 0.000 1.181 30 A CA 1.103 52.961 52.037 -0.299 0.000 0.627 30 A CB -0.530 18.333 19.000 -0.229 0.000 0.818 30 A HN 0.223 nan 8.150 nan 0.000 0.445 31 L N 0.712 121.624 121.223 -0.519 0.000 2.141 31 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 31 L C 2.749 179.311 176.870 -0.513 0.000 1.094 31 L CA 2.530 57.061 54.840 -0.515 0.000 0.763 31 L CB -0.501 41.215 42.059 -0.572 0.000 0.908 31 L HN 0.526 nan 8.230 nan 0.000 0.437 32 S N -0.077 115.283 115.700 -0.567 0.000 2.406 32 S HA -0.187 4.283 4.470 -0.000 0.000 0.228 32 S C 2.040 175.911 174.600 -1.215 0.000 1.020 32 S CA 0.716 58.263 58.200 -1.089 0.000 0.965 32 S CB -0.605 62.245 63.200 -0.582 0.000 0.798 32 S HN 0.666 nan 8.310 nan 0.000 0.488 33 R N 0.667 120.742 120.500 -0.709 0.000 2.115 33 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 33 R C 2.063 178.001 176.300 -0.603 0.000 1.100 33 R CA 0.910 56.661 56.100 -0.582 0.000 0.980 33 R CB -0.538 29.533 30.300 -0.382 0.000 0.875 33 R HN 0.300 nan 8.270 nan 0.000 0.445 34 Q N 1.497 120.918 119.800 -0.632 0.000 1.967 34 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 34 Q C 1.364 176.777 176.000 -0.979 0.000 0.985 34 Q CA 1.553 56.940 55.803 -0.695 0.000 0.839 34 Q CB -0.869 27.504 28.738 -0.609 0.000 0.906 34 Q HN 0.513 nan 8.270 nan 0.000 0.423 38 R N 0.229 120.581 120.500 -0.245 0.000 2.189 38 R HA -0.034 4.306 4.340 -0.000 0.000 0.223 38 R C 0.752 177.146 176.300 0.157 0.000 1.092 38 R CA 1.257 57.313 56.100 -0.072 0.000 0.989 38 R CB 0.258 30.518 30.300 -0.066 0.000 0.876 38 R HN 0.144 nan 8.270 nan 0.000 0.457 39 Y N -0.635 119.639 120.300 -0.042 0.000 2.461 39 Y HA 0.322 4.872 4.550 -0.000 0.000 0.277 39 Y C 1.172 177.077 175.900 0.008 0.000 1.182 39 Y CA -0.316 57.773 58.100 -0.017 0.000 1.276 39 Y CB -0.214 38.237 38.460 -0.015 0.000 1.087 39 Y HN 0.154 nan 8.280 nan 0.000 0.519 40 G N 1.071 109.958 108.800 0.145 0.000 2.314 40 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.292 40 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.292 40 G C -0.679 174.296 174.900 0.125 0.000 1.059 40 G CA -0.133 45.028 45.100 0.102 0.000 0.982 40 G HN 0.154 nan 8.290 nan 0.000 0.505 41 L N -0.882 120.456 121.223 0.192 0.000 2.330 41 L HA 0.526 4.866 4.340 -0.000 0.000 0.271 41 L C 1.070 178.082 176.870 0.236 0.000 1.013 41 L CA -0.679 54.262 54.840 0.169 0.000 0.816 41 L CB 1.588 43.732 42.059 0.142 0.000 1.287 41 L HN 0.202 nan 8.230 nan 0.000 0.435 42 N N 0.670 119.390 118.700 0.034 0.000 2.322 42 N HA 0.104 4.843 4.740 -0.000 0.000 0.194 42 N C 1.141 176.481 175.510 -0.283 0.000 1.126 42 N CA 0.502 53.559 53.050 0.011 0.000 0.845 42 N CB 0.395 38.873 38.487 -0.016 0.000 0.976 42 N HN 0.745 nan 8.380 nan 0.000 0.475 43 A N 0.455 122.298 122.820 -1.628 0.000 2.072 43 A HA 0.228 4.548 4.320 -0.000 0.000 0.216 43 A C 2.161 179.395 177.584 -0.584 0.000 1.156 43 A CA 0.754 52.051 52.037 -1.233 0.000 0.701 43 A CB -0.174 18.297 19.000 -0.881 0.000 0.816 43 A HN 0.297 nan 8.150 nan 0.000 0.458 44 A N 0.040 122.708 122.820 -0.253 0.000 2.168 44 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 44 A C 1.653 179.212 177.584 -0.041 0.000 1.152 44 A CA 1.182 53.227 52.037 0.014 0.000 0.716 44 A CB -0.339 18.690 19.000 0.048 0.000 0.794 44 A HN 0.612 nan 8.150 nan 0.000 0.465 45 E N -0.546 119.551 120.200 -0.172 0.000 2.358 45 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 45 E C 0.273 176.830 176.600 -0.072 0.000 1.010 45 E CA -0.105 56.234 56.400 -0.101 0.000 0.856 45 E CB -0.102 29.527 29.700 -0.119 0.000 0.795 45 E HN 0.616 nan 8.360 nan 0.000 0.504 46 M N 1.732 121.227 119.600 -0.176 0.000 2.249 46 M HA 0.002 4.482 4.480 -0.000 0.000 0.340 46 M C 0.733 177.066 176.300 0.054 0.000 1.166 46 M CA 0.290 55.492 55.300 -0.164 0.000 1.115 46 M CB 0.576 32.803 32.600 -0.623 0.000 1.606 46 M HN 0.007 nan 8.290 nan 0.000 0.448 47 T N 0.019 114.640 114.554 0.111 0.000 2.847 47 T HA 0.312 4.662 4.350 -0.000 0.000 0.279 47 T C -2.118 172.762 174.700 0.300 0.000 0.984 47 T CA -1.750 60.458 62.100 0.181 0.000 0.988 47 T CB 0.976 69.912 68.868 0.113 0.000 1.040 47 T HN 0.362 nan 8.240 nan 0.000 0.528 48 P HA -0.142 nan 4.420 nan 0.000 0.217 48 P C 1.751 179.243 177.300 0.321 0.000 1.158 48 P CA 1.210 64.484 63.100 0.290 0.000 0.887 48 P CB 0.069 31.876 31.700 0.178 0.000 0.792 49 R N -0.431 120.215 120.500 0.243 0.000 2.115 49 R HA -0.095 4.245 4.340 -0.000 0.000 0.226 49 R C 2.298 178.775 176.300 0.295 0.000 1.100 49 R CA 1.250 57.508 56.100 0.264 0.000 0.980 49 R CB -0.323 30.061 30.300 0.139 0.000 0.875 49 R HN 0.328 nan 8.270 nan 0.000 0.445 50 Q N -1.320 118.609 119.800 0.215 0.000 2.170 50 Q HA -0.215 4.125 4.340 -0.000 0.000 0.203 50 Q C 1.686 177.852 176.000 0.278 0.000 0.976 50 Q CA 1.551 57.477 55.803 0.205 0.000 0.858 50 Q CB -0.110 28.720 28.738 0.153 0.000 0.907 50 Q HN 0.450 nan 8.270 nan 0.000 0.433 51 W N -0.382 121.032 121.300 0.190 0.000 2.409 51 W HA -0.153 4.506 4.660 -0.000 0.000 0.299 51 W C 2.002 178.610 176.519 0.147 0.000 1.203 51 W CA 0.370 57.797 57.345 0.137 0.000 1.298 51 W CB -0.216 29.314 29.460 0.116 0.000 1.127 51 W HN 0.289 nan 8.180 nan 0.000 0.528 52 W N 0.271 121.771 121.300 0.332 0.000 2.402 52 W HA -0.091 4.569 4.660 -0.000 0.000 0.286 52 W C 1.657 178.270 176.519 0.156 0.000 1.221 52 W CA 1.439 58.921 57.345 0.228 0.000 1.257 52 W CB -0.477 29.097 29.460 0.189 0.000 1.120 52 W HN -0.220 nan 8.180 nan 0.000 0.551 53 L N 0.521 121.726 121.223 -0.030 0.000 2.023 53 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 53 L C 2.864 179.588 176.870 -0.244 0.000 1.073 53 L CA 1.465 56.145 54.840 -0.266 0.000 0.745 53 L CB -1.361 40.724 42.059 0.043 0.000 0.900 53 L HN 0.062 nan 8.230 nan 0.000 0.435 54 A N -0.173 122.616 122.820 -0.051 0.000 1.859 54 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 54 A C 2.299 179.748 177.584 -0.226 0.000 1.209 54 A CA 2.411 54.339 52.037 -0.181 0.000 0.639 54 A CB -1.200 17.663 19.000 -0.230 0.000 0.835 54 A HN 0.192 nan 8.150 nan 0.000 0.450 55 V N 0.083 119.934 119.914 -0.105 0.000 2.324 55 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 55 V C 2.824 178.806 176.094 -0.187 0.000 1.060 55 V CA 2.513 64.804 62.300 -0.015 0.000 1.042 55 V CB -0.820 31.108 31.823 0.175 0.000 0.650 55 V HN 0.611 nan 8.190 nan 0.000 0.450 56 S N -0.989 114.422 115.700 -0.483 0.000 2.383 56 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 56 S C 1.925 175.970 174.600 -0.924 0.000 1.026 56 S CA 1.073 58.784 58.200 -0.815 0.000 0.981 56 S CB -0.222 62.237 63.200 -1.234 0.000 0.818 56 S HN 0.622 nan 8.310 nan 0.000 0.472 57 E N 1.547 121.369 120.200 -0.629 0.000 2.072 57 E HA -0.033 4.316 4.350 -0.000 0.000 0.191 57 E C 2.452 178.831 176.600 -0.369 0.000 0.985 57 E CA 0.972 57.080 56.400 -0.486 0.000 0.801 57 E CB -0.404 29.104 29.700 -0.320 0.000 0.750 57 E HN 0.461 nan 8.360 nan 0.000 0.452 58 A N 1.809 124.447 122.820 -0.303 0.000 1.859 58 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 58 A C 2.380 179.924 177.584 -0.067 0.000 1.198 58 A CA 1.443 53.355 52.037 -0.208 0.000 0.629 58 A CB -0.974 17.860 19.000 -0.276 0.000 0.830 58 A HN 0.174 nan 8.150 nan 0.000 0.446 59 L N -0.914 120.306 121.223 -0.005 0.000 2.079 59 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 59 L C 3.086 179.951 176.870 -0.008 0.000 1.081 59 L CA 1.077 56.018 54.840 0.168 0.000 0.752 59 L CB -0.579 41.617 42.059 0.229 0.000 0.896 59 L HN 0.480 nan 8.230 nan 0.000 0.433 60 A N -0.390 122.174 122.820 -0.427 0.000 1.933 60 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 60 A C 2.259 179.820 177.584 -0.037 0.000 1.175 60 A CA 1.774 53.648 52.037 -0.271 0.000 0.628 60 A CB -0.442 18.303 19.000 -0.425 0.000 0.814 60 A HN 0.460 nan 8.150 nan 0.000 0.444 61 E N -0.682 119.470 120.200 -0.080 0.000 2.051 61 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 61 E C 2.069 178.696 176.600 0.045 0.000 0.991 61 E CA 1.413 57.792 56.400 -0.034 0.000 0.799 61 E CB -0.182 29.465 29.700 -0.088 0.000 0.748 61 E HN 0.661 nan 8.360 nan 0.000 0.449 62 M N 0.075 119.745 119.600 0.116 0.000 2.117 62 M HA -0.157 4.322 4.480 -0.000 0.000 0.262 62 M C 2.326 178.793 176.300 0.279 0.000 1.065 62 M CA 0.796 56.225 55.300 0.216 0.000 1.114 62 M CB -0.135 32.676 32.600 0.353 0.000 1.361 62 M HN 0.198 nan 8.290 nan 0.000 0.408 63 L N 0.440 121.823 121.223 0.267 0.000 2.131 63 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 63 L C 2.204 179.158 176.870 0.141 0.000 1.092 63 L CA 1.861 56.820 54.840 0.199 0.000 0.759 63 L CB -0.456 41.730 42.059 0.212 0.000 0.903 63 L HN 0.157 nan 8.230 nan 0.000 0.435 64 R N -1.115 119.455 120.500 0.117 0.000 2.236 64 R HA 0.106 4.446 4.340 -0.000 0.000 0.208 64 R C 2.081 178.424 176.300 0.071 0.000 1.036 64 R CA 0.691 56.840 56.100 0.082 0.000 1.001 64 R CB -0.257 30.077 30.300 0.056 0.000 0.896 64 R HN 0.446 nan 8.270 nan 0.000 0.464 65 A N 0.950 123.819 122.820 0.081 0.000 1.970 65 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 65 A C 0.982 178.613 177.584 0.079 0.000 1.170 65 A CA 0.500 52.576 52.037 0.064 0.000 0.645 65 A CB 0.045 19.076 19.000 0.053 0.000 0.816 65 A HN 0.113 nan 8.150 nan 0.000 0.447 72 F N 2.381 122.334 119.950 0.006 0.000 2.557 72 F HA 0.462 4.989 4.527 -0.001 0.000 0.384 72 F C 0.407 176.208 175.800 0.001 0.000 1.057 72 F CA -0.379 57.621 58.000 0.001 0.000 1.169 72 F CB 0.234 39.231 39.000 -0.004 0.000 1.070 72 F HN 0.479 nan 8.300 nan 0.000 0.554 73 A N 7.785 130.254 122.820 -0.585 0.000 2.310 73 A HA 0.221 4.541 4.320 -0.000 0.000 0.300 73 A C 0.158 177.091 177.584 -1.085 0.000 1.269 73 A CA -0.791 50.898 52.037 -0.581 0.000 0.909 73 A CB -0.060 18.752 19.000 -0.313 0.000 1.144 73 A HN 0.801 nan 8.150 nan 0.000 0.540 74 K N 4.287 124.186 120.400 -0.836 0.000 2.383 74 K HA 0.264 4.584 4.320 -0.000 0.000 0.286 74 K C -2.149 174.296 176.600 -0.259 0.000 1.051 74 K CA -1.152 54.807 56.287 -0.547 0.000 0.974 74 K CB 0.276 32.728 32.500 -0.079 0.000 0.968 74 K HN 0.432 nan 8.250 nan 0.000 0.475 75 P HA -0.043 nan 4.420 nan 0.000 0.272 75 P C -0.675 176.616 177.300 -0.016 0.000 1.254 75 P CA -0.603 62.460 63.100 -0.061 0.000 0.795 75 P CB 0.342 32.051 31.700 0.014 0.000 1.022 76 V N 0.201 120.111 119.914 -0.007 0.000 2.814 76 V HA 0.128 4.247 4.120 -0.000 0.000 0.307 76 V C 0.961 177.071 176.094 0.027 0.000 1.089 76 V CA 0.252 62.557 62.300 0.008 0.000 1.212 76 V CB -0.355 31.475 31.823 0.012 0.000 0.912 76 V HN 0.745 nan 8.190 nan 0.000 0.497 77 A N 4.195 127.031 122.820 0.026 0.000 2.313 77 A HA 0.441 4.761 4.320 -0.000 0.000 0.261 77 A C 0.707 178.311 177.584 0.034 0.000 1.090 77 A CA -0.460 51.598 52.037 0.035 0.000 0.807 77 A CB -0.336 18.681 19.000 0.028 0.000 1.055 77 A HN 1.070 nan 8.150 nan 0.000 0.492 78 N N 0.324 119.047 118.700 0.038 0.000 2.664 78 N HA -0.154 4.585 4.740 -0.000 0.000 0.296 78 N C -0.645 174.878 175.510 0.021 0.000 1.153 78 N CA 1.480 54.545 53.050 0.026 0.000 0.765 78 N CB -0.790 37.704 38.487 0.012 0.000 0.962 78 N HN 0.680 nan 8.380 nan 0.000 0.564 79 Q N 0.073 119.893 119.800 0.034 0.000 2.435 79 Q HA 0.367 4.706 4.340 -0.000 0.000 0.282 79 Q C -0.436 175.591 176.000 0.046 0.000 1.020 79 Q CA -0.871 54.954 55.803 0.037 0.000 0.820 79 Q CB 2.295 31.062 28.738 0.048 0.000 1.436 79 Q HN 0.309 nan 8.270 nan 0.000 0.395 80 R N 0.935 121.457 120.500 0.037 0.000 2.594 80 R HA 0.128 4.468 4.340 -0.000 0.000 0.272 80 R C 0.016 176.357 176.300 0.068 0.000 1.074 80 R CA -0.283 55.847 56.100 0.050 0.000 1.105 80 R CB 0.465 30.782 30.300 0.029 0.000 1.008 80 R HN 0.493 nan 8.270 nan 0.000 0.472 81 H N 1.965 121.036 119.070 0.001 0.000 2.582 81 H HA 0.152 4.708 4.556 -0.000 0.000 0.345 81 H C -0.965 174.296 175.328 -0.112 0.000 1.104 81 H CA -0.209 55.821 56.048 -0.030 0.000 1.390 81 H CB 1.017 30.793 29.762 0.023 0.000 1.461 81 H HN 0.131 nan 8.280 nan 0.000 0.551 82 V N 6.246 125.773 119.914 -0.644 0.000 2.347 82 V HA 0.095 4.214 4.120 -0.000 0.000 0.280 82 V C -0.030 175.807 176.094 -0.428 0.000 1.021 82 V CA -0.896 61.037 62.300 -0.613 0.000 0.847 82 V CB 1.133 32.395 31.823 -0.935 0.000 0.990 82 V HN 0.739 nan 8.190 nan 0.000 0.444 83 N N 4.301 122.944 118.700 -0.095 0.000 2.485 83 N HA 0.226 4.966 4.740 -0.000 0.000 0.243 83 N C -1.081 174.558 175.510 0.217 0.000 0.987 83 N CA -0.280 52.884 53.050 0.190 0.000 0.940 83 N CB 1.508 40.190 38.487 0.325 0.000 1.122 83 N HN 0.701 nan 8.380 nan 0.000 0.509 84 Y N 3.411 123.794 120.300 0.138 0.000 2.504 84 Y HA 0.381 4.931 4.550 -0.001 0.000 0.339 84 Y C -0.116 176.018 175.900 0.391 0.000 0.974 84 Y CA -0.693 57.537 58.100 0.216 0.000 1.232 84 Y CB 0.322 38.880 38.460 0.163 0.000 1.108 84 Y HN 0.373 nan 8.280 nan 0.000 0.509 85 I N 5.434 126.034 120.570 0.049 0.000 2.291 85 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 85 I C 0.039 176.190 176.117 0.056 0.000 1.050 85 I CA -0.294 61.126 61.300 0.199 0.000 1.245 85 I CB 0.738 38.851 38.000 0.188 0.000 1.405 85 I HN 0.463 nan 8.210 nan 0.000 0.478 86 S N 5.236 121.032 115.700 0.159 0.000 2.568 86 S HA 0.437 4.906 4.470 -0.000 0.000 0.293 86 S C 0.436 175.098 174.600 0.103 0.000 1.089 86 S CA -0.796 57.398 58.200 -0.011 0.000 0.945 86 S CB 1.951 64.933 63.200 -0.365 0.000 1.077 86 S HN 0.708 nan 8.310 nan 0.000 0.485 87 M N 2.369 122.027 119.600 0.097 0.000 2.492 87 M HA 0.216 4.696 4.480 -0.000 0.000 0.262 87 M C 0.033 176.367 176.300 0.056 0.000 1.090 87 M CA 0.988 56.337 55.300 0.081 0.000 1.110 87 M CB -0.135 32.421 32.600 -0.074 0.000 1.407 87 M HN 0.764 nan 8.290 nan 0.000 0.470 88 E N -1.196 118.977 120.200 -0.044 0.000 2.356 88 E HA 0.440 4.789 4.350 -0.000 0.000 0.275 88 E C -1.400 175.108 176.600 -0.153 0.000 0.904 88 E CA -0.767 55.616 56.400 -0.028 0.000 0.757 88 E CB 1.082 30.702 29.700 -0.133 0.000 1.232 88 E HN 0.109 nan 8.360 nan 0.000 0.442 89 F N 1.933 121.905 119.950 0.038 0.000 2.959 89 F HA 0.246 4.774 4.527 0.000 0.000 0.379 89 F C -0.802 174.971 175.800 -0.045 0.000 1.215 89 F CA -0.763 57.246 58.000 0.014 0.000 1.190 89 F CB 1.556 40.562 39.000 0.010 0.000 1.574 89 F HN 0.439 nan 8.300 nan 0.000 0.575 90 L N 5.680 126.946 121.223 0.071 0.000 2.376 90 L HA 0.249 4.588 4.340 -0.000 0.000 0.250 90 L C 1.429 178.307 176.870 0.013 0.000 1.335 90 L CA 0.442 55.287 54.840 0.008 0.000 1.214 90 L CB -0.589 41.468 42.059 -0.003 0.000 1.395 90 L HN 0.662 nan 8.230 nan 0.000 0.424 91 I N 0.041 120.598 120.570 -0.022 0.000 2.394 91 I HA 0.251 4.421 4.170 -0.000 0.000 0.251 91 I C 1.296 177.353 176.117 -0.101 0.000 1.136 91 I CA 0.576 61.843 61.300 -0.054 0.000 1.425 91 I CB -0.900 37.032 38.000 -0.113 0.000 1.079 91 I HN 0.596 nan 8.210 nan 0.000 0.425 92 G N 1.583 110.307 108.800 -0.127 0.000 2.741 92 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.222 92 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.222 92 G C -0.416 174.409 174.900 -0.125 0.000 1.364 92 G CA -0.252 44.768 45.100 -0.134 0.000 0.866 92 G HN 0.593 nan 8.290 nan 0.000 0.555 93 R N -0.509 119.940 120.500 -0.085 0.000 2.489 93 R HA 0.349 4.689 4.340 -0.000 0.000 0.287 93 R C 1.000 177.303 176.300 0.005 0.000 1.053 93 R CA -0.515 55.593 56.100 0.014 0.000 1.036 93 R CB 0.460 30.785 30.300 0.042 0.000 0.966 93 R HN 0.315 nan 8.270 nan 0.000 0.432 94 L N 2.328 123.597 121.223 0.077 0.000 2.354 94 L HA -0.002 4.338 4.340 -0.000 0.000 0.212 94 L C 1.831 178.589 176.870 -0.188 0.000 1.091 94 L CA 1.548 56.293 54.840 -0.157 0.000 0.828 94 L CB -0.186 41.687 42.059 -0.309 0.000 0.973 94 L HN 0.719 nan 8.230 nan 0.000 0.461 95 T N -0.920 113.770 114.554 0.227 0.000 2.643 95 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 95 T C 1.832 176.698 174.700 0.278 0.000 1.045 95 T CA 1.423 63.811 62.100 0.480 0.000 1.155 95 T CB -0.818 68.524 68.868 0.790 0.000 0.863 95 T HN 0.433 nan 8.240 nan 0.000 0.420 96 G N 1.421 110.372 108.800 0.251 0.000 2.446 96 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 96 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 96 G C 1.509 176.451 174.900 0.071 0.000 1.168 96 G CA 1.313 46.538 45.100 0.209 0.000 0.771 96 G HN 0.568 nan 8.290 nan 0.000 0.551 97 N N 1.005 119.681 118.700 -0.039 0.000 2.094 97 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 97 N C 2.013 177.435 175.510 -0.146 0.000 1.023 97 N CA 1.794 54.773 53.050 -0.119 0.000 0.857 97 N CB -0.210 38.171 38.487 -0.176 0.000 1.013 97 N HN 0.215 nan 8.380 nan 0.000 0.426 98 N N 0.185 118.754 118.700 -0.219 0.000 2.120 98 N HA -0.076 4.664 4.740 -0.000 0.000 0.188 98 N C 1.639 177.049 175.510 -0.165 0.000 1.024 98 N CA 0.833 53.715 53.050 -0.281 0.000 0.852 98 N CB -0.434 37.711 38.487 -0.571 0.000 1.003 98 N HN 0.315 nan 8.380 nan 0.000 0.424 99 L N 0.419 121.638 121.223 -0.006 0.000 1.989 99 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 99 L C 2.336 179.218 176.870 0.019 0.000 1.071 99 L CA 1.000 55.879 54.840 0.064 0.000 0.749 99 L CB -0.545 41.667 42.059 0.255 0.000 0.890 99 L HN 0.161 nan 8.230 nan 0.000 0.431 100 L N -0.388 120.853 121.223 0.029 0.000 2.093 100 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 100 L C 2.319 179.182 176.870 -0.012 0.000 1.085 100 L CA 1.432 56.276 54.840 0.007 0.000 0.755 100 L CB -0.341 41.698 42.059 -0.033 0.000 0.904 100 L HN 0.323 nan 8.230 nan 0.000 0.435 101 N N -0.428 118.234 118.700 -0.063 0.000 2.354 101 N HA -0.074 4.666 4.740 -0.000 0.000 0.179 101 N C 1.785 177.139 175.510 -0.261 0.000 1.021 101 N CA 1.098 54.097 53.050 -0.084 0.000 0.887 101 N CB 0.074 38.520 38.487 -0.068 0.000 0.974 101 N HN 0.421 nan 8.380 nan 0.000 0.437 102 L N -0.094 120.933 121.223 -0.328 0.000 2.270 102 L HA 0.074 4.414 4.340 -0.000 0.000 0.210 102 L C 1.255 177.952 176.870 -0.289 0.000 1.104 102 L CA 0.491 55.019 54.840 -0.520 0.000 0.804 102 L CB -0.251 41.124 42.059 -1.140 0.000 0.937 102 L HN 0.195 nan 8.230 nan 0.000 0.450 103 G N -1.472 107.253 108.800 -0.124 0.000 2.137 103 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.237 103 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.237 103 G C 0.090 175.149 174.900 0.264 0.000 1.002 103 G CA 0.055 45.183 45.100 0.047 0.000 0.702 103 G HN 0.328 nan 8.290 nan 0.000 0.515 104 W N -1.022 120.261 121.300 -0.030 0.000 3.177 104 W HA 0.362 5.022 4.660 0.000 0.000 0.309 104 W C 1.713 178.102 176.519 -0.217 0.000 1.224 104 W CA -0.554 56.700 57.345 -0.151 0.000 1.718 104 W CB -1.020 28.375 29.460 -0.108 0.000 1.078 104 W HN 0.360 nan 8.180 nan 0.000 0.618 105 Y N 2.073 122.390 120.300 0.027 0.000 2.040 105 Y HA -0.400 4.150 4.550 -0.000 0.000 0.275 105 Y C 2.762 178.604 175.900 -0.097 0.000 1.171 105 Y CA 3.127 61.209 58.100 -0.029 0.000 1.123 105 Y CB -0.589 37.868 38.460 -0.006 0.000 0.963 105 Y HN -0.014 nan 8.280 nan 0.000 0.493 106 Q N -0.173 119.688 119.800 0.101 0.000 2.084 106 Q HA -0.218 4.121 4.340 -0.000 0.000 0.202 106 Q C 1.819 177.693 176.000 -0.211 0.000 0.978 106 Q CA 1.792 57.582 55.803 -0.022 0.000 0.844 106 Q CB -0.219 28.548 28.738 0.049 0.000 0.898 106 Q HN 0.581 nan 8.270 nan 0.000 0.426 107 D N -0.135 120.077 120.400 -0.314 0.000 2.137 107 D HA -0.196 4.443 4.640 -0.000 0.000 0.189 107 D C 2.002 177.807 176.300 -0.825 0.000 0.998 107 D CA 1.687 55.324 54.000 -0.604 0.000 0.839 107 D CB -0.442 39.782 40.800 -0.961 0.000 0.962 107 D HN 0.141 nan 8.370 nan 0.000 0.446 108 V N 0.981 120.288 119.914 -1.012 0.000 2.282 108 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 108 V C 2.692 178.521 176.094 -0.443 0.000 1.057 108 V CA 2.033 63.844 62.300 -0.816 0.000 1.032 108 V CB -0.622 30.869 31.823 -0.554 0.000 0.645 108 V HN 0.260 nan 8.190 nan 0.000 0.447 109 Q N -0.600 118.946 119.800 -0.423 0.000 2.096 109 Q HA -0.270 4.069 4.340 -0.000 0.000 0.204 109 Q C 1.956 177.853 176.000 -0.171 0.000 0.982 109 Q CA 2.186 57.803 55.803 -0.310 0.000 0.850 109 Q CB -0.113 28.408 28.738 -0.361 0.000 0.901 109 Q HN 0.673 nan 8.270 nan 0.000 0.422 110 D N -0.449 119.849 120.400 -0.169 0.000 2.095 110 D HA -0.155 4.485 4.640 -0.000 0.000 0.192 110 D C 1.869 178.152 176.300 -0.027 0.000 0.990 110 D CA 1.622 55.569 54.000 -0.087 0.000 0.836 110 D CB -0.662 40.084 40.800 -0.089 0.000 0.979 110 D HN 0.168 nan 8.370 nan 0.000 0.447 111 S N -0.469 115.219 115.700 -0.019 0.000 2.420 111 S HA -0.117 4.353 4.470 -0.000 0.000 0.237 111 S C 1.924 176.685 174.600 0.269 0.000 1.023 111 S CA 0.667 58.955 58.200 0.146 0.000 0.991 111 S CB -0.253 63.066 63.200 0.198 0.000 0.792 111 S HN 0.204 nan 8.310 nan 0.000 0.488 112 L N 0.123 121.455 121.223 0.181 0.000 2.418 112 L HA 0.145 4.485 4.340 -0.000 0.000 0.218 112 L C 2.329 179.297 176.870 0.163 0.000 1.125 112 L CA 0.533 55.519 54.840 0.243 0.000 0.835 112 L CB -0.211 41.881 42.059 0.055 0.000 0.953 112 L HN 0.150 nan 8.230 nan 0.000 0.454 113 K N 0.367 120.811 120.400 0.074 0.000 2.439 113 K HA 0.043 4.363 4.320 -0.000 0.000 0.197 113 K C 1.890 178.500 176.600 0.017 0.000 1.041 113 K CA 0.795 57.097 56.287 0.024 0.000 0.970 113 K CB 0.059 32.557 32.500 -0.004 0.000 0.773 113 K HN 0.194 nan 8.250 nan 0.000 0.479 114 A N -0.382 122.445 122.820 0.011 0.000 2.119 114 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 114 A C 1.110 178.562 177.584 -0.221 0.000 1.153 114 A CA 0.955 52.910 52.037 -0.136 0.000 0.692 114 A CB -0.301 18.529 19.000 -0.284 0.000 0.799 114 A HN 0.280 nan 8.150 nan 0.000 0.458 115 Y N -0.443 119.896 120.300 0.066 0.000 2.467 115 Y HA 0.166 4.716 4.550 -0.000 0.000 0.250 115 Y C -0.125 175.771 175.900 -0.006 0.000 1.155 115 Y CA -0.508 57.651 58.100 0.098 0.000 1.249 115 Y CB 0.418 39.036 38.460 0.263 0.000 1.146 115 Y HN 0.288 nan 8.280 nan 0.000 0.524 116 D N 1.005 121.442 120.400 0.063 0.000 2.716 116 D HA -0.165 4.475 4.640 -0.000 0.000 0.239 116 D C -0.738 175.511 176.300 -0.085 0.000 1.125 116 D CA 0.656 54.652 54.000 -0.006 0.000 0.681 116 D CB -1.055 39.748 40.800 0.005 0.000 1.070 116 D HN 0.215 nan 8.370 nan 0.000 0.432 117 I N 1.260 121.741 120.570 -0.148 0.000 2.410 117 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 117 I C 0.727 176.733 176.117 -0.184 0.000 1.009 117 I CA -0.545 60.571 61.300 -0.308 0.000 1.111 117 I CB 1.623 39.206 38.000 -0.696 0.000 1.262 117 I HN -0.039 nan 8.210 nan 0.000 0.443 118 N N 5.533 124.150 118.700 -0.138 0.000 2.420 118 N HA -0.002 4.738 4.740 -0.000 0.000 0.262 118 N C 0.991 176.457 175.510 -0.072 0.000 1.144 118 N CA -0.260 52.744 53.050 -0.076 0.000 0.952 118 N CB 1.270 39.734 38.487 -0.039 0.000 1.081 118 N HN 0.542 nan 8.380 nan 0.000 0.480 119 L N 4.979 126.154 121.223 -0.081 0.000 2.042 119 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 119 L C 2.019 178.900 176.870 0.019 0.000 1.076 119 L CA 1.947 56.739 54.840 -0.080 0.000 0.749 119 L CB -0.990 40.917 42.059 -0.252 0.000 0.893 119 L HN 0.579 nan 8.230 nan 0.000 0.432 120 T N -0.083 114.507 114.554 0.060 0.000 2.635 120 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 120 T C 1.464 176.217 174.700 0.089 0.000 1.040 120 T CA 1.798 63.969 62.100 0.120 0.000 1.156 120 T CB -0.488 68.446 68.868 0.111 0.000 0.863 120 T HN 0.447 nan 8.240 nan 0.000 0.430 121 D N 0.899 121.333 120.400 0.056 0.000 2.144 121 D HA -0.037 4.602 4.640 -0.000 0.000 0.199 121 D C 2.047 178.390 176.300 0.072 0.000 0.984 121 D CA 0.480 54.511 54.000 0.050 0.000 0.834 121 D CB -0.575 40.240 40.800 0.026 0.000 0.955 121 D HN 0.288 nan 8.370 nan 0.000 0.465 122 L N 0.273 121.549 121.223 0.087 0.000 2.046 122 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 122 L C 2.153 179.192 176.870 0.281 0.000 1.077 122 L CA 1.054 56.001 54.840 0.178 0.000 0.747 122 L CB -0.152 42.002 42.059 0.159 0.000 0.896 122 L HN -0.018 nan 8.230 nan 0.000 0.432 123 L N -0.321 121.047 121.223 0.242 0.000 2.131 123 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 123 L C 2.458 179.356 176.870 0.047 0.000 1.092 123 L CA 0.930 55.914 54.840 0.241 0.000 0.759 123 L CB -0.677 41.521 42.059 0.232 0.000 0.903 123 L HN 0.334 nan 8.230 nan 0.000 0.435 124 E N 0.002 120.216 120.200 0.024 0.000 2.409 124 E HA -0.167 4.182 4.350 -0.000 0.000 0.198 124 E C 1.643 178.180 176.600 -0.105 0.000 1.024 124 E CA 0.525 56.909 56.400 -0.026 0.000 0.861 124 E CB -0.036 29.678 29.700 0.023 0.000 0.788 124 E HN 0.507 nan 8.360 nan 0.000 0.521 125 E N 0.955 121.045 120.200 -0.185 0.000 2.347 125 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 125 E C 0.600 176.854 176.600 -0.577 0.000 1.008 125 E CA 0.233 56.485 56.400 -0.248 0.000 0.852 125 E CB -0.037 29.631 29.700 -0.053 0.000 0.783 125 E HN 0.368 nan 8.360 nan 0.000 0.505 126 E N 1.274 120.945 120.200 -0.881 0.000 2.180 126 E HA 0.129 4.479 4.350 -0.000 0.000 0.283 126 E C -0.422 175.994 176.600 -0.308 0.000 1.061 126 E CA -0.225 55.608 56.400 -0.945 0.000 0.861 126 E CB 0.377 29.612 29.700 -0.776 0.000 1.056 126 E HN -0.010 nan 8.360 nan 0.000 0.407 127 I N 4.366 124.854 120.570 -0.137 0.000 2.396 127 I HA 0.055 4.225 4.170 -0.000 0.000 0.289 127 I C 0.008 176.143 176.117 0.030 0.000 1.056 127 I CA -0.688 60.615 61.300 0.005 0.000 1.365 127 I CB 0.591 38.656 38.000 0.109 0.000 1.407 127 I HN 0.475 nan 8.210 nan 0.000 0.509 128 D N 8.867 129.239 120.400 -0.045 0.000 2.658 128 D HA 0.004 4.644 4.640 -0.000 0.000 0.230 128 D C -2.263 173.857 176.300 -0.301 0.000 1.118 128 D CA -0.281 53.639 54.000 -0.134 0.000 0.848 128 D CB 0.132 40.844 40.800 -0.146 0.000 1.160 128 D HN 0.268 nan 8.370 nan 0.000 0.497 129 P HA 0.083 nan 4.420 nan 0.000 0.262 129 P C -0.714 175.920 177.300 -1.109 0.000 1.199 129 P CA -0.038 62.205 63.100 -1.428 0.000 0.763 129 P CB 0.551 31.376 31.700 -1.459 0.000 0.790 130 A N 4.602 126.603 122.820 -1.365 0.000 3.118 130 A HA 0.148 4.468 4.320 -0.000 0.000 0.256 130 A C 0.509 177.900 177.584 -0.321 0.000 1.667 130 A CA 0.133 51.831 52.037 -0.566 0.000 1.338 130 A CB -1.028 17.831 19.000 -0.234 0.000 1.127 130 A HN 0.396 nan 8.150 nan 0.000 0.634 131 L N -0.105 120.950 121.223 -0.279 0.000 2.728 131 L HA 0.340 4.679 4.340 -0.000 0.000 0.238 131 L C 1.010 177.949 176.870 0.115 0.000 1.143 131 L CA 0.582 55.443 54.840 0.036 0.000 0.937 131 L CB -0.750 41.270 42.059 -0.065 0.000 1.225 131 L HN 0.553 nan 8.230 nan 0.000 0.507 132 G N -1.141 107.644 108.800 -0.025 0.000 2.721 132 G HA2 0.344 4.304 3.960 -0.000 0.000 0.296 132 G HA3 0.344 4.304 3.960 -0.000 0.000 0.296 132 G C -0.067 174.778 174.900 -0.092 0.000 1.383 132 G CA -0.103 44.967 45.100 -0.050 0.000 0.788 132 G HN -0.016 nan 8.290 nan 0.000 0.500 133 N N -2.197 116.469 118.700 -0.057 0.000 3.013 133 N HA 0.351 5.091 4.740 -0.000 0.000 0.250 133 N C 0.865 176.390 175.510 0.025 0.000 0.997 133 N CA 0.805 53.846 53.050 -0.014 0.000 1.052 133 N CB 0.987 39.514 38.487 0.068 0.000 1.663 133 N HN 0.814 nan 8.380 nan 0.000 0.641 134 G N -0.563 108.263 108.800 0.043 0.000 2.827 134 G HA2 0.341 4.301 3.960 -0.000 0.000 0.202 134 G HA3 0.341 4.301 3.960 -0.000 0.000 0.202 134 G C 0.599 175.508 174.900 0.016 0.000 1.185 134 G CA 0.211 45.341 45.100 0.050 0.000 0.920 134 G HN 0.289 nan 8.290 nan 0.000 0.550 135 G N 0.342 109.145 108.800 0.006 0.000 2.766 135 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.222 135 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.222 135 G C 1.861 176.719 174.900 -0.071 0.000 1.225 135 G CA 2.047 47.126 45.100 -0.035 0.000 0.784 135 G HN 0.870 nan 8.290 nan 0.000 0.631 136 L N 1.515 122.688 121.223 -0.082 0.000 1.997 136 L HA -0.028 4.311 4.340 -0.000 0.000 0.216 136 L C 2.971 179.767 176.870 -0.123 0.000 1.074 136 L CA 2.927 57.675 54.840 -0.153 0.000 0.763 136 L CB -1.017 40.966 42.059 -0.127 0.000 0.890 136 L HN 0.265 nan 8.230 nan 0.000 0.434 137 G N -1.735 107.017 108.800 -0.080 0.000 2.394 137 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 137 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 137 G C 1.716 176.569 174.900 -0.079 0.000 1.165 137 G CA 0.734 45.771 45.100 -0.105 0.000 0.784 137 G HN 0.324 nan 8.290 nan 0.000 0.535 138 R N 0.143 120.620 120.500 -0.039 0.000 2.075 138 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 138 R C 2.360 178.627 176.300 -0.054 0.000 1.126 138 R CA 1.061 57.168 56.100 0.012 0.000 0.963 138 R CB -0.996 29.328 30.300 0.041 0.000 0.858 138 R HN 0.324 nan 8.270 nan 0.000 0.435 139 L N 0.177 121.298 121.223 -0.170 0.000 2.042 139 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 139 L C 2.054 178.594 176.870 -0.550 0.000 1.076 139 L CA 2.282 56.881 54.840 -0.403 0.000 0.749 139 L CB -0.813 40.989 42.059 -0.428 0.000 0.893 139 L HN 0.264 nan 8.230 nan 0.000 0.432 140 A N -0.888 121.764 122.820 -0.280 0.000 1.968 140 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 140 A C 2.402 180.003 177.584 0.029 0.000 1.169 140 A CA 1.399 53.342 52.037 -0.156 0.000 0.638 140 A CB -0.938 17.905 19.000 -0.263 0.000 0.812 140 A HN 0.553 nan 8.150 nan 0.000 0.446 141 A N -0.942 121.928 122.820 0.082 0.000 1.897 141 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 141 A C 2.265 179.918 177.584 0.116 0.000 1.181 141 A CA 1.517 53.662 52.037 0.179 0.000 0.620 141 A CB -1.231 17.850 19.000 0.136 0.000 0.821 141 A HN 0.564 nan 8.150 nan 0.000 0.443 142 C N -1.305 118.050 119.300 0.091 0.000 2.413 142 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 142 C C 2.434 177.583 174.990 0.265 0.000 1.265 142 C CA 0.681 59.796 59.018 0.162 0.000 1.752 142 C CB -1.606 26.239 27.740 0.175 0.000 1.998 142 C HN 0.599 nan 8.230 nan 0.000 0.489 143 F N 0.247 120.197 119.950 -0.001 0.000 2.146 143 F HA -0.040 4.486 4.527 -0.001 0.000 0.298 143 F C 2.139 177.894 175.800 -0.076 0.000 1.096 143 F CA 0.923 58.885 58.000 -0.063 0.000 1.275 143 F CB -1.442 37.431 39.000 -0.211 0.000 1.008 143 F HN 0.086 nan 8.300 nan 0.000 0.480 144 L N 0.524 121.817 121.223 0.117 0.000 2.079 144 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 144 L C 2.361 179.242 176.870 0.018 0.000 1.081 144 L CA 1.872 56.734 54.840 0.037 0.000 0.752 144 L CB -1.013 41.090 42.059 0.073 0.000 0.896 144 L HN 0.184 nan 8.230 nan 0.000 0.433 145 D N -1.391 119.033 120.400 0.040 0.000 2.078 145 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 145 D C 1.918 178.234 176.300 0.027 0.000 0.990 145 D CA 1.738 55.747 54.000 0.014 0.000 0.827 145 D CB 0.271 41.082 40.800 0.019 0.000 0.975 145 D HN 0.328 nan 8.370 nan 0.000 0.451 146 S N 0.346 116.087 115.700 0.068 0.000 2.359 146 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 146 S C 2.222 176.844 174.600 0.036 0.000 1.039 146 S CA 1.466 59.704 58.200 0.064 0.000 1.042 146 S CB -0.371 62.888 63.200 0.099 0.000 0.915 146 S HN 0.361 nan 8.310 nan 0.000 0.439 147 M N 0.994 120.609 119.600 0.026 0.000 2.089 147 M HA -0.256 4.224 4.480 -0.000 0.000 0.257 147 M C 2.489 178.777 176.300 -0.020 0.000 1.071 147 M CA 1.852 57.149 55.300 -0.004 0.000 1.096 147 M CB -0.688 31.877 32.600 -0.058 0.000 1.330 147 M HN 0.451 nan 8.290 nan 0.000 0.403 148 A N -0.676 122.126 122.820 -0.029 0.000 1.902 148 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 148 A C 2.142 179.712 177.584 -0.024 0.000 1.181 148 A CA 2.271 54.285 52.037 -0.037 0.000 0.623 148 A CB -1.098 17.872 19.000 -0.049 0.000 0.818 148 A HN 0.486 nan 8.150 nan 0.000 0.443 149 T N -0.954 113.599 114.554 -0.001 0.000 2.867 149 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 149 T C 1.632 176.342 174.700 0.017 0.000 1.057 149 T CA 1.398 63.509 62.100 0.020 0.000 1.136 149 T CB -0.118 68.776 68.868 0.043 0.000 0.874 149 T HN 0.114 nan 8.240 nan 0.000 0.466 150 V N 0.230 120.153 119.914 0.016 0.000 3.406 150 V HA 0.252 4.371 4.120 -0.000 0.000 0.263 150 V C 1.926 178.026 176.094 0.011 0.000 1.172 150 V CA 1.072 63.384 62.300 0.020 0.000 1.140 150 V CB -0.333 31.511 31.823 0.035 0.000 0.784 150 V HN 0.695 nan 8.190 nan 0.000 0.467 151 G N 0.297 109.094 108.800 -0.005 0.000 2.175 151 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.244 151 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.244 151 G C 0.241 175.137 174.900 -0.008 0.000 0.982 151 G CA 0.285 45.377 45.100 -0.014 0.000 0.641 151 G HN 0.518 nan 8.290 nan 0.000 0.527 152 Q N 1.910 121.706 119.800 -0.006 0.000 2.281 152 Q HA 0.514 4.854 4.340 -0.000 0.000 0.267 152 Q C 0.755 176.709 176.000 -0.077 0.000 1.053 152 Q CA 0.540 56.327 55.803 -0.027 0.000 0.905 152 Q CB 0.548 29.278 28.738 -0.013 0.000 1.195 152 Q HN 0.862 nan 8.270 nan 0.000 0.398 153 S N 2.740 118.401 115.700 -0.065 0.000 2.499 153 S HA 0.805 5.275 4.470 -0.000 0.000 0.275 153 S C -0.544 173.859 174.600 -0.329 0.000 1.257 153 S CA -0.179 57.988 58.200 -0.055 0.000 1.050 153 S CB 1.092 64.371 63.200 0.131 0.000 0.937 153 S HN 0.758 nan 8.310 nan 0.000 0.490 154 A N 3.100 125.717 122.820 -0.338 0.000 2.574 154 A HA 0.724 5.043 4.320 -0.000 0.000 0.297 154 A C -0.400 177.011 177.584 -0.289 0.000 1.062 154 A CA -0.882 50.836 52.037 -0.533 0.000 0.686 154 A CB 1.498 20.283 19.000 -0.359 0.000 1.285 154 A HN 0.764 nan 8.150 nan 0.000 0.403 155 T N 1.160 115.557 114.554 -0.263 0.000 2.807 155 T HA 0.630 4.980 4.350 -0.000 0.000 0.279 155 T C 0.368 174.904 174.700 -0.273 0.000 0.993 155 T CA 0.070 62.022 62.100 -0.246 0.000 0.970 155 T CB 1.671 70.351 68.868 -0.313 0.000 0.950 155 T HN 1.176 nan 8.240 nan 0.000 0.441 156 G N 1.722 110.335 108.800 -0.311 0.000 2.338 156 G HA2 0.524 4.484 3.960 -0.000 0.000 0.298 156 G HA3 0.524 4.484 3.960 -0.000 0.000 0.298 156 G C -1.395 173.315 174.900 -0.316 0.000 1.140 156 G CA -0.244 44.762 45.100 -0.156 0.000 0.860 156 G HN 0.600 nan 8.290 nan 0.000 0.470 157 Y N 1.198 121.628 120.300 0.216 0.000 2.328 157 Y HA 0.631 5.180 4.550 -0.001 0.000 0.336 157 Y C 0.777 176.902 175.900 0.376 0.000 0.960 157 Y CA -0.068 58.163 58.100 0.218 0.000 1.134 157 Y CB 2.364 41.005 38.460 0.303 0.000 1.166 157 Y HN 0.836 nan 8.280 nan 0.000 0.464 158 G N 2.324 111.361 108.800 0.396 0.000 2.782 158 G HA2 0.688 4.648 3.960 -0.000 0.000 0.304 158 G HA3 0.688 4.648 3.960 -0.000 0.000 0.304 158 G C -2.032 173.004 174.900 0.227 0.000 1.315 158 G CA -0.966 44.367 45.100 0.388 0.000 0.791 158 G HN 0.418 nan 8.290 nan 0.000 0.519 159 L N 0.253 121.479 121.223 0.006 0.000 2.362 159 L HA 0.430 4.770 4.340 -0.000 0.000 0.271 159 L C -0.501 176.174 176.870 -0.326 0.000 1.002 159 L CA -1.049 53.701 54.840 -0.151 0.000 0.818 159 L CB 2.255 44.115 42.059 -0.331 0.000 1.298 159 L HN 0.409 nan 8.230 nan 0.000 0.420 160 N N 1.750 120.410 118.700 -0.067 0.000 3.050 160 N HA 0.081 4.821 4.740 -0.000 0.000 0.289 160 N C -0.959 174.608 175.510 0.095 0.000 1.209 160 N CA -0.186 52.901 53.050 0.061 0.000 1.154 160 N CB -0.328 38.175 38.487 0.027 0.000 1.444 160 N HN 0.213 nan 8.380 nan 0.000 0.529 161 Y N 0.653 121.089 120.300 0.228 0.000 2.632 161 Y HA -0.050 4.500 4.550 -0.001 0.000 0.329 161 Y C 1.851 177.897 175.900 0.242 0.000 1.174 161 Y CA 0.163 58.376 58.100 0.189 0.000 1.469 161 Y CB 0.546 39.092 38.460 0.143 0.000 1.242 161 Y HN 0.445 nan 8.280 nan 0.000 0.540 162 Q N 2.101 122.006 119.800 0.174 0.000 2.187 162 Q HA -0.143 4.197 4.340 -0.000 0.000 0.199 162 Q C 0.180 175.996 176.000 -0.305 0.000 0.957 162 Q CA 1.487 57.147 55.803 -0.238 0.000 0.857 162 Q CB 0.102 28.501 28.738 -0.565 0.000 0.929 162 Q HN 0.876 nan 8.270 nan 0.000 0.453 163 Y N -1.343 119.111 120.300 0.257 0.000 2.500 163 Y HA 0.329 4.879 4.550 -0.001 0.000 0.246 163 Y C 1.196 177.193 175.900 0.163 0.000 1.146 163 Y CA 0.121 58.343 58.100 0.203 0.000 1.230 163 Y CB 0.774 39.305 38.460 0.119 0.000 1.214 163 Y HN 0.262 nan 8.280 nan 0.000 0.526 164 G N 1.111 110.052 108.800 0.235 0.000 2.611 164 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.301 164 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.301 164 G C 0.928 175.808 174.900 -0.033 0.000 1.233 164 G CA 0.636 45.754 45.100 0.029 0.000 0.993 164 G HN 0.271 nan 8.290 nan 0.000 0.553 165 L N -0.551 120.646 121.223 -0.044 0.000 2.189 165 L HA 0.541 4.881 4.340 -0.000 0.000 0.199 165 L C 1.062 178.061 176.870 0.214 0.000 1.074 165 L CA 1.970 56.826 54.840 0.027 0.000 0.783 165 L CB -0.115 41.915 42.059 -0.048 0.000 0.955 165 L HN 1.095 nan 8.230 nan 0.000 0.460 166 F N -1.959 118.009 119.950 0.030 0.000 2.804 166 F HA 0.309 4.836 4.527 -0.001 0.000 0.320 166 F C -0.750 175.059 175.800 0.015 0.000 1.135 166 F CA -1.469 56.545 58.000 0.024 0.000 0.947 166 F CB 0.522 39.528 39.000 0.010 0.000 1.260 166 F HN -0.169 nan 8.300 nan 0.000 0.447 167 R N 2.941 123.584 120.500 0.238 0.000 2.216 167 R HA 0.374 4.714 4.340 -0.000 0.000 0.332 167 R C -0.573 175.866 176.300 0.231 0.000 1.056 167 R CA -0.313 55.853 56.100 0.110 0.000 0.901 167 R CB 1.060 31.409 30.300 0.082 0.000 1.039 167 R HN 0.894 nan 8.270 nan 0.000 0.456 168 Q N 2.730 122.581 119.800 0.085 0.000 2.259 168 Q HA 0.327 4.667 4.340 -0.000 0.000 0.246 168 Q C -1.224 174.677 176.000 -0.165 0.000 0.920 168 Q CA -0.332 55.537 55.803 0.110 0.000 0.895 168 Q CB 1.178 29.908 28.738 -0.014 0.000 1.220 168 Q HN 0.860 nan 8.270 nan 0.000 0.439 169 S N 1.541 117.057 115.700 -0.306 0.000 2.565 169 S HA 0.630 5.100 4.470 -0.000 0.000 0.269 169 S C -1.398 172.926 174.600 -0.459 0.000 1.153 169 S CA -0.858 57.105 58.200 -0.395 0.000 0.835 169 S CB 0.730 63.839 63.200 -0.153 0.000 1.122 169 S HN 0.403 nan 8.310 nan 0.000 0.462 170 F N 0.732 120.651 119.950 -0.053 0.000 2.449 170 F HA 0.641 5.167 4.527 -0.001 0.000 0.342 170 F C -0.401 175.374 175.800 -0.041 0.000 1.127 170 F CA -1.255 56.700 58.000 -0.075 0.000 0.975 170 F CB 1.940 40.867 39.000 -0.123 0.000 1.146 170 F HN 0.443 nan 8.300 nan 0.000 0.444 171 V N 3.622 123.630 119.914 0.156 0.000 2.378 171 V HA 0.289 4.409 4.120 -0.000 0.000 0.288 171 V C -0.651 175.493 176.094 0.085 0.000 1.016 171 V CA -0.985 61.365 62.300 0.084 0.000 0.840 171 V CB 1.239 33.083 31.823 0.034 0.000 0.994 171 V HN 0.760 nan 8.190 nan 0.000 0.431 172 D N 4.765 125.218 120.400 0.089 0.000 2.697 172 D HA -0.197 4.443 4.640 -0.000 0.000 0.238 172 D C 1.356 177.774 176.300 0.196 0.000 1.152 172 D CA 1.573 55.641 54.000 0.113 0.000 0.666 172 D CB -1.031 39.824 40.800 0.091 0.000 1.037 172 D HN 1.287 nan 8.370 nan 0.000 0.423 173 G N -0.659 108.229 108.800 0.146 0.000 2.377 173 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.250 173 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.250 173 G C 0.492 175.458 174.900 0.110 0.000 1.039 173 G CA 1.100 46.275 45.100 0.125 0.000 0.625 173 G HN 0.548 nan 8.290 nan 0.000 0.526 174 K N 0.691 121.173 120.400 0.138 0.000 2.087 174 K HA 0.535 4.855 4.320 -0.000 0.000 0.255 174 K C 0.348 177.040 176.600 0.154 0.000 0.988 174 K CA -0.540 55.769 56.287 0.038 0.000 0.915 174 K CB 1.049 33.448 32.500 -0.169 0.000 1.043 174 K HN 0.329 nan 8.250 nan 0.000 0.457 175 Q N 1.839 121.730 119.800 0.152 0.000 2.304 175 Q HA 0.239 4.579 4.340 -0.000 0.000 0.260 175 Q C -0.949 175.054 176.000 0.004 0.000 0.965 175 Q CA -0.586 55.328 55.803 0.185 0.000 0.898 175 Q CB 1.060 29.876 28.738 0.130 0.000 1.196 175 Q HN 0.487 nan 8.270 nan 0.000 0.402 176 V N 1.729 121.622 119.914 -0.035 0.000 2.680 176 V HA 0.622 4.742 4.120 -0.000 0.000 0.309 176 V C -1.400 174.607 176.094 -0.146 0.000 1.052 176 V CA -0.670 61.572 62.300 -0.096 0.000 0.908 176 V CB 2.013 33.801 31.823 -0.058 0.000 1.001 176 V HN 0.873 nan 8.190 nan 0.000 0.431 177 E N 3.932 123.985 120.200 -0.245 0.000 2.183 177 E HA 0.868 5.218 4.350 -0.000 0.000 0.271 177 E C -0.238 176.319 176.600 -0.071 0.000 0.919 177 E CA -0.210 56.020 56.400 -0.283 0.000 0.781 177 E CB 1.998 31.236 29.700 -0.769 0.000 1.140 177 E HN 1.235 nan 8.360 nan 0.000 0.402 178 A N 2.997 125.858 122.820 0.069 0.000 2.527 178 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 178 A C -2.670 174.963 177.584 0.080 0.000 1.117 178 A CA -2.019 50.036 52.037 0.031 0.000 0.723 178 A CB 1.018 20.031 19.000 0.021 0.000 1.313 178 A HN 0.437 nan 8.150 nan 0.000 0.411 179 P HA 0.112 nan 4.420 nan 0.000 0.264 179 P C -0.937 176.457 177.300 0.157 0.000 1.193 179 P CA 0.334 63.433 63.100 -0.001 0.000 0.763 179 P CB 0.395 31.898 31.700 -0.328 0.000 0.810 180 D N 2.380 122.933 120.400 0.255 0.000 2.558 180 D HA 0.030 4.670 4.640 -0.000 0.000 0.221 180 D C -0.433 176.072 176.300 0.342 0.000 1.143 180 D CA 0.014 54.151 54.000 0.229 0.000 1.010 180 D CB -0.657 40.232 40.800 0.147 0.000 1.068 180 D HN 0.199 nan 8.370 nan 0.000 0.511 181 D N 2.490 123.060 120.400 0.283 0.000 2.374 181 D HA -0.035 4.605 4.640 -0.000 0.000 0.240 181 D C 1.004 177.289 176.300 -0.026 0.000 1.229 181 D CA -0.581 53.508 54.000 0.148 0.000 0.895 181 D CB 0.211 41.069 40.800 0.096 0.000 1.046 181 D HN 0.405 nan 8.370 nan 0.000 0.498 182 W N 4.461 125.672 121.300 -0.150 0.000 3.400 182 W HA 0.162 4.822 4.660 0.000 0.000 0.347 182 W C -0.513 176.005 176.519 -0.001 0.000 1.218 182 W CA -0.390 56.887 57.345 -0.113 0.000 1.837 182 W CB -1.036 28.390 29.460 -0.058 0.000 1.067 182 W HN 0.444 nan 8.180 nan 0.000 0.701 183 H N 0.680 119.638 119.070 -0.187 0.000 2.819 183 H HA -0.189 4.366 4.556 -0.000 0.000 0.315 183 H C 1.920 176.945 175.328 -0.505 0.000 1.242 183 H CA 1.207 57.124 56.048 -0.219 0.000 1.157 183 H CB -1.532 28.255 29.762 0.041 0.000 1.451 183 H HN 0.284 nan 8.280 nan 0.000 0.430 184 R N 1.184 121.015 120.500 -1.115 0.000 2.143 184 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 184 R C 1.986 177.932 176.300 -0.589 0.000 1.126 184 R CA 2.582 57.808 56.100 -1.456 0.000 0.927 184 R CB -0.264 29.271 30.300 -1.275 0.000 0.860 184 R HN 0.520 nan 8.270 nan 0.000 0.433 185 S N 0.787 116.209 115.700 -0.463 0.000 2.393 185 S HA -0.276 4.193 4.470 -0.000 0.000 0.234 185 S C 1.403 175.928 174.600 -0.125 0.000 1.064 185 S CA 2.077 60.082 58.200 -0.325 0.000 1.088 185 S CB -0.910 62.178 63.200 -0.187 0.000 0.939 185 S HN 0.813 nan 8.310 nan 0.000 0.448 186 N N -1.181 117.524 118.700 0.009 0.000 2.235 186 N HA 0.090 4.830 4.740 -0.000 0.000 0.231 186 N C -0.198 175.458 175.510 0.244 0.000 1.177 186 N CA -0.696 52.423 53.050 0.116 0.000 0.874 186 N CB -0.057 38.456 38.487 0.043 0.000 1.097 186 N HN 0.334 nan 8.380 nan 0.000 0.518 187 Y N 3.422 123.862 120.300 0.234 0.000 2.881 187 Y HA 0.021 4.571 4.550 -0.000 0.000 0.335 187 Y C -1.240 174.839 175.900 0.299 0.000 1.263 187 Y CA -1.333 56.987 58.100 0.367 0.000 1.572 187 Y CB 0.761 39.500 38.460 0.464 0.000 1.237 187 Y HN 0.144 nan 8.280 nan 0.000 0.568 188 P HA -0.227 nan 4.420 nan 0.000 0.215 188 P C 0.671 177.757 177.300 -0.357 0.000 1.153 188 P CA 1.971 64.807 63.100 -0.440 0.000 0.853 188 P CB -0.131 31.082 31.700 -0.813 0.000 0.788 189 W N -1.922 119.118 121.300 -0.434 0.000 3.180 189 W HA 0.167 4.827 4.660 0.000 0.000 0.254 189 W C 0.496 177.044 176.519 0.048 0.000 1.318 189 W CA -0.590 56.651 57.345 -0.174 0.000 1.608 189 W CB -0.675 28.684 29.460 -0.169 0.000 1.124 189 W HN -0.237 nan 8.180 nan 0.000 0.694 190 F N 1.774 121.955 119.950 0.384 0.000 2.456 190 F HA 0.248 4.775 4.527 -0.001 0.000 0.358 190 F C 0.997 176.949 175.800 0.254 0.000 1.095 190 F CA -0.889 57.369 58.000 0.431 0.000 1.216 190 F CB 0.371 39.755 39.000 0.640 0.000 1.125 190 F HN -0.280 nan 8.300 nan 0.000 0.549 191 R N 3.608 124.392 120.500 0.474 0.000 2.604 191 R HA 0.372 4.712 4.340 -0.000 0.000 0.287 191 R C -1.459 174.846 176.300 0.008 0.000 0.970 191 R CA -0.567 55.639 56.100 0.177 0.000 0.946 191 R CB 1.150 31.525 30.300 0.125 0.000 1.127 191 R HN 0.840 nan 8.270 nan 0.000 0.473 192 H N 3.032 121.918 119.070 -0.306 0.000 3.096 192 H HA 0.176 4.731 4.556 -0.000 0.000 0.335 192 H C -1.649 173.453 175.328 -0.377 0.000 0.990 192 H CA -0.793 54.901 56.048 -0.590 0.000 1.393 192 H CB 1.485 30.540 29.762 -1.179 0.000 1.742 192 H HN 0.516 nan 8.280 nan 0.000 0.501 193 N N 3.959 122.330 118.700 -0.547 0.000 2.469 193 N HA 0.005 4.745 4.740 -0.000 0.000 0.253 193 N C 0.909 176.080 175.510 -0.565 0.000 0.970 193 N CA -0.402 52.366 53.050 -0.470 0.000 0.940 193 N CB 1.214 39.566 38.487 -0.226 0.000 1.128 193 N HN 0.853 nan 8.380 nan 0.000 0.503 194 E N 2.679 122.493 120.200 -0.644 0.000 2.265 194 E HA -0.153 4.196 4.350 -0.000 0.000 0.196 194 E C 0.719 177.228 176.600 -0.152 0.000 0.996 194 E CA 1.054 57.221 56.400 -0.389 0.000 0.832 194 E CB -0.002 29.549 29.700 -0.249 0.000 0.756 194 E HN 0.495 nan 8.360 nan 0.000 0.491 195 A N 0.983 123.723 122.820 -0.135 0.000 2.238 195 A HA 0.156 4.476 4.320 -0.000 0.000 0.208 195 A C 1.768 179.345 177.584 -0.013 0.000 1.177 195 A CA 0.058 52.059 52.037 -0.061 0.000 0.804 195 A CB -0.204 18.759 19.000 -0.061 0.000 0.823 195 A HN 0.277 nan 8.150 nan 0.000 0.482 196 L N 0.017 121.242 121.223 0.003 0.000 2.653 196 L HA 0.139 4.479 4.340 -0.000 0.000 0.231 196 L C -0.639 176.359 176.870 0.213 0.000 1.153 196 L CA -0.400 54.499 54.840 0.098 0.000 0.933 196 L CB -0.090 42.006 42.059 0.062 0.000 1.175 196 L HN 0.101 nan 8.230 nan 0.000 0.473 197 D N 0.437 120.923 120.400 0.144 0.000 2.351 197 D HA 0.256 4.896 4.640 -0.000 0.000 0.251 197 D C -0.234 176.123 176.300 0.095 0.000 1.137 197 D CA 0.332 54.431 54.000 0.165 0.000 0.879 197 D CB 2.010 42.873 40.800 0.105 0.000 1.181 197 D HN -0.242 nan 8.370 nan 0.000 0.448 198 V N 2.902 122.849 119.914 0.056 0.000 2.555 198 V HA 0.274 4.394 4.120 -0.000 0.000 0.302 198 V C 0.006 176.068 176.094 -0.054 0.000 1.038 198 V CA -0.840 61.424 62.300 -0.060 0.000 0.887 198 V CB 1.856 33.530 31.823 -0.248 0.000 0.991 198 V HN 0.361 nan 8.190 nan 0.000 0.434 199 Q N 2.510 122.270 119.800 -0.067 0.000 2.340 199 Q HA 0.571 4.911 4.340 -0.000 0.000 0.259 199 Q C -1.107 174.856 176.000 -0.062 0.000 0.964 199 Q CA -0.332 55.428 55.803 -0.072 0.000 0.900 199 Q CB 1.989 30.672 28.738 -0.092 0.000 1.228 199 Q HN 0.627 nan 8.270 nan 0.000 0.449 200 V N 1.823 121.721 119.914 -0.027 0.000 2.483 200 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 200 V C 0.468 176.597 176.094 0.058 0.000 1.035 200 V CA -0.785 61.544 62.300 0.049 0.000 0.896 200 V CB 1.774 33.672 31.823 0.126 0.000 0.986 200 V HN 0.839 nan 8.190 nan 0.000 0.447 201 G N 4.346 113.239 108.800 0.155 0.000 2.348 201 G HA2 0.652 4.612 3.960 -0.000 0.000 0.312 201 G HA3 0.652 4.612 3.960 -0.000 0.000 0.312 201 G C -0.877 174.292 174.900 0.448 0.000 1.126 201 G CA -0.311 44.814 45.100 0.042 0.000 0.865 201 G HN 0.384 nan 8.290 nan 0.000 0.474 202 I N 1.050 121.830 120.570 0.351 0.000 2.689 202 I HA 0.612 4.782 4.170 -0.000 0.000 0.299 202 I C 1.100 177.452 176.117 0.393 0.000 1.059 202 I CA 0.282 61.834 61.300 0.420 0.000 1.055 202 I CB 1.079 39.330 38.000 0.418 0.000 1.243 202 I HN 0.956 nan 8.210 nan 0.000 0.425 203 G N 3.748 112.749 108.800 0.335 0.000 2.578 203 G HA2 0.127 4.087 3.960 -0.000 0.000 0.284 203 G HA3 0.127 4.087 3.960 -0.000 0.000 0.284 203 G C 0.482 175.613 174.900 0.386 0.000 1.283 203 G CA 0.423 45.685 45.100 0.271 0.000 0.944 203 G HN 1.887 nan 8.290 nan 0.000 0.558 204 G N -1.678 107.273 108.800 0.252 0.000 2.499 204 G HA2 0.452 4.412 3.960 -0.000 0.000 0.232 204 G HA3 0.452 4.412 3.960 -0.000 0.000 0.232 204 G C 0.254 175.299 174.900 0.242 0.000 1.251 204 G CA 1.642 46.884 45.100 0.237 0.000 0.917 204 G HN 3.054 nan 8.290 nan 0.000 0.580 205 A N -1.893 121.096 122.820 0.281 0.000 2.589 205 A HA 0.795 5.114 4.320 -0.000 0.000 0.296 205 A C -0.453 177.292 177.584 0.269 0.000 1.062 205 A CA 0.327 52.497 52.037 0.222 0.000 0.686 205 A CB 1.534 20.612 19.000 0.131 0.000 1.282 205 A HN 2.130 nan 8.150 nan 0.000 0.404 206 V N 2.057 122.078 119.914 0.179 0.000 2.408 206 V HA 0.494 4.613 4.120 -0.000 0.000 0.267 206 V C 1.280 177.435 176.094 0.102 0.000 1.047 206 V CA 0.155 62.546 62.300 0.152 0.000 0.937 206 V CB 0.048 31.915 31.823 0.072 0.000 0.999 206 V HN 1.222 nan 8.190 nan 0.000 0.472 207 T N 3.314 117.927 114.554 0.099 0.000 3.193 207 T HA 0.162 4.511 4.350 -0.000 0.000 0.407 207 T C 0.651 175.382 174.700 0.052 0.000 1.146 207 T CA -0.251 61.890 62.100 0.068 0.000 1.085 207 T CB 0.255 69.158 68.868 0.059 0.000 1.424 207 T HN 0.562 nan 8.240 nan 0.000 0.521 213 G N 0.352 109.183 108.800 0.052 0.000 2.894 213 G HA2 0.207 4.167 3.960 -0.000 0.000 0.265 213 G HA3 0.207 4.167 3.960 -0.000 0.000 0.265 213 G C 0.168 175.120 174.900 0.087 0.000 0.735 213 G CA -0.016 45.122 45.100 0.063 0.000 2.064 213 G HN 0.249 nan 8.290 nan 0.000 0.590 214 R N 0.825 121.385 120.500 0.101 0.000 2.335 214 R HA 0.235 4.575 4.340 -0.000 0.000 0.302 214 R C -0.770 175.648 176.300 0.197 0.000 1.147 214 R CA -1.021 55.152 56.100 0.122 0.000 1.111 214 R CB 0.158 30.506 30.300 0.079 0.000 1.122 214 R HN 0.372 nan 8.270 nan 0.000 0.557 215 W N 4.592 125.896 121.300 0.007 0.000 2.469 215 W HA 0.112 4.772 4.660 0.001 0.000 0.321 215 W C -0.754 175.776 176.519 0.020 0.000 1.415 215 W CA -0.611 56.741 57.345 0.011 0.000 1.308 215 W CB 0.614 30.075 29.460 0.002 0.000 1.368 215 W HN 0.504 nan 8.180 nan 0.000 0.546 216 E N 8.880 129.114 120.200 0.057 0.000 2.489 216 E HA 0.164 4.514 4.350 -0.000 0.000 0.232 216 E C -2.231 174.244 176.600 -0.208 0.000 0.990 216 E CA -1.887 54.431 56.400 -0.137 0.000 0.768 216 E CB 0.791 30.483 29.700 -0.013 0.000 1.270 216 E HN 0.219 nan 8.360 nan 0.000 0.423 217 P HA -0.085 nan 4.420 nan 0.000 0.268 217 P C 0.187 177.441 177.300 -0.077 0.000 1.205 217 P CA 0.310 63.188 63.100 -0.371 0.000 0.771 217 P CB 0.953 32.238 31.700 -0.692 0.000 0.858 218 E N 2.130 122.383 120.200 0.088 0.000 2.318 218 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 218 E C -0.075 176.660 176.600 0.225 0.000 0.998 218 E CA 0.086 56.562 56.400 0.127 0.000 0.859 218 E CB 0.016 29.801 29.700 0.141 0.000 0.812 218 E HN 0.331 nan 8.360 nan 0.000 0.492 219 F N 1.812 121.791 119.950 0.049 0.000 2.577 219 F HA 0.485 5.011 4.527 -0.001 0.000 0.318 219 F C -1.396 174.444 175.800 0.067 0.000 1.065 219 F CA -0.849 57.199 58.000 0.081 0.000 0.929 219 F CB 2.342 41.399 39.000 0.095 0.000 1.237 219 F HN -0.090 nan 8.300 nan 0.000 0.468 220 T N 4.218 118.409 114.554 -0.605 0.000 2.937 220 T HA 0.668 5.018 4.350 -0.000 0.000 0.297 220 T C -0.493 173.787 174.700 -0.699 0.000 0.991 220 T CA -0.527 61.278 62.100 -0.491 0.000 0.990 220 T CB 0.993 69.677 68.868 -0.307 0.000 0.991 220 T HN 0.488 nan 8.240 nan 0.000 0.440 221 I N 1.817 122.109 120.570 -0.464 0.000 2.677 221 I HA 0.463 4.632 4.170 -0.000 0.000 0.305 221 I C 0.498 176.502 176.117 -0.188 0.000 0.988 221 I CA -0.622 60.486 61.300 -0.321 0.000 1.260 221 I CB 1.498 39.401 38.000 -0.163 0.000 1.410 221 I HN 0.563 nan 8.210 nan 0.000 0.523 222 T N 3.113 117.592 114.554 -0.126 0.000 2.809 222 T HA 0.439 4.789 4.350 -0.000 0.000 0.296 222 T C 0.010 174.803 174.700 0.156 0.000 1.015 222 T CA -0.582 61.507 62.100 -0.018 0.000 0.954 222 T CB 0.927 69.750 68.868 -0.076 0.000 0.950 222 T HN 0.799 nan 8.240 nan 0.000 0.450 223 G N 3.252 112.229 108.800 0.294 0.000 2.320 223 G HA2 0.454 4.414 3.960 -0.000 0.000 0.300 223 G HA3 0.454 4.414 3.960 -0.000 0.000 0.300 223 G C -0.301 174.886 174.900 0.478 0.000 1.126 223 G CA -0.571 44.851 45.100 0.536 0.000 0.896 223 G HN 0.580 nan 8.290 nan 0.000 0.436 224 Q N 0.723 120.829 119.800 0.510 0.000 2.241 224 Q HA 0.511 4.851 4.340 -0.000 0.000 0.254 224 Q C -0.257 176.007 176.000 0.441 0.000 0.917 224 Q CA -0.566 55.498 55.803 0.434 0.000 0.919 224 Q CB 2.374 31.330 28.738 0.364 0.000 1.237 224 Q HN 0.578 nan 8.270 nan 0.000 0.434 225 A N 2.803 125.734 122.820 0.186 0.000 2.252 225 A HA 0.441 4.761 4.320 -0.000 0.000 0.309 225 A C -1.411 176.011 177.584 -0.270 0.000 1.285 225 A CA -0.486 51.450 52.037 -0.169 0.000 0.900 225 A CB 0.118 18.917 19.000 -0.335 0.000 1.157 225 A HN 0.712 nan 8.150 nan 0.000 0.536 226 W N 2.576 123.750 121.300 -0.210 0.000 2.338 226 W HA 0.349 5.009 4.660 -0.001 0.000 0.315 226 W C -0.860 175.722 176.519 0.106 0.000 1.005 226 W CA -0.389 56.837 57.345 -0.199 0.000 1.380 226 W CB 1.342 30.407 29.460 -0.659 0.000 1.235 226 W HN 0.587 nan 8.180 nan 0.000 0.409 227 D N 2.896 123.442 120.400 0.243 0.000 2.302 227 D HA 0.341 4.981 4.640 -0.000 0.000 0.248 227 D C -0.777 175.733 176.300 0.350 0.000 1.094 227 D CA -0.254 53.864 54.000 0.195 0.000 0.897 227 D CB 2.047 42.876 40.800 0.049 0.000 1.200 227 D HN 0.072 nan 8.370 nan 0.000 0.429 228 L N 3.446 124.755 121.223 0.143 0.000 2.385 228 L HA 0.361 4.701 4.340 -0.000 0.000 0.273 228 L C -2.461 174.395 176.870 -0.023 0.000 0.990 228 L CA -2.226 52.642 54.840 0.047 0.000 0.821 228 L CB 2.203 44.218 42.059 -0.073 0.000 1.279 228 L HN 0.100 nan 8.230 nan 0.000 0.412 229 P HA 0.136 nan 4.420 nan 0.000 0.276 229 P C -0.888 176.323 177.300 -0.149 0.000 1.253 229 P CA -0.136 62.927 63.100 -0.062 0.000 0.766 229 P CB 0.887 32.578 31.700 -0.016 0.000 0.845 230 V N 5.228 125.066 119.914 -0.127 0.000 2.320 230 V HA 0.137 4.257 4.120 -0.000 0.000 0.265 230 V C 0.996 177.015 176.094 -0.125 0.000 1.048 230 V CA -0.800 61.419 62.300 -0.136 0.000 0.865 230 V CB 0.851 32.606 31.823 -0.113 0.000 1.043 230 V HN 0.448 nan 8.190 nan 0.000 0.474 231 V N 2.758 122.575 119.914 -0.162 0.000 2.686 231 V HA 0.930 5.050 4.120 -0.000 0.000 0.295 231 V C 0.713 176.740 176.094 -0.111 0.000 1.057 231 V CA -0.005 62.204 62.300 -0.152 0.000 1.012 231 V CB 1.220 32.919 31.823 -0.208 0.000 1.006 231 V HN 0.754 nan 8.190 nan 0.000 0.477 232 G N 2.295 111.039 108.800 -0.093 0.000 2.477 232 G HA2 0.426 4.386 3.960 -0.000 0.000 0.304 232 G HA3 0.426 4.386 3.960 -0.000 0.000 0.304 232 G C -1.130 173.753 174.900 -0.028 0.000 1.175 232 G CA -0.756 44.315 45.100 -0.048 0.000 0.907 232 G HN 0.959 nan 8.290 nan 0.000 0.509 233 Y N 1.934 122.168 120.300 -0.111 0.000 2.637 233 Y HA 0.218 4.768 4.550 -0.000 0.000 0.350 233 Y C 1.123 176.957 175.900 -0.109 0.000 1.069 233 Y CA -0.469 57.559 58.100 -0.120 0.000 1.397 233 Y CB 0.220 38.608 38.460 -0.119 0.000 1.163 233 Y HN 0.576 nan 8.280 nan 0.000 0.527 234 R N 2.708 122.877 120.500 -0.553 0.000 3.610 234 R HA -0.275 4.064 4.340 -0.000 0.000 0.274 234 R C -0.001 176.152 176.300 -0.246 0.000 1.123 234 R CA 1.184 56.998 56.100 -0.476 0.000 0.747 234 R CB -2.546 27.328 30.300 -0.710 0.000 1.149 234 R HN 0.881 nan 8.270 nan 0.000 0.471 235 N N -2.504 116.095 118.700 -0.169 0.000 2.166 235 N HA 0.150 4.890 4.740 -0.000 0.000 0.213 235 N C 1.077 176.521 175.510 -0.110 0.000 1.222 235 N CA 0.705 53.687 53.050 -0.114 0.000 0.900 235 N CB 0.439 38.877 38.487 -0.082 0.000 1.055 235 N HN 0.292 nan 8.380 nan 0.000 0.515 236 G N -0.185 108.543 108.800 -0.121 0.000 2.179 236 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 236 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 236 G C -0.320 174.510 174.900 -0.116 0.000 0.977 236 G CA 0.412 45.448 45.100 -0.106 0.000 0.641 236 G HN 0.310 nan 8.290 nan 0.000 0.533 237 V N 0.762 120.603 119.914 -0.121 0.000 2.649 237 V HA 0.686 4.806 4.120 -0.000 0.000 0.292 237 V C 0.635 176.677 176.094 -0.086 0.000 1.055 237 V CA 0.428 62.658 62.300 -0.118 0.000 1.023 237 V CB 1.572 33.330 31.823 -0.109 0.000 0.992 237 V HN 1.441 nan 8.190 nan 0.000 0.480 238 A N 4.944 127.732 122.820 -0.053 0.000 2.530 238 A HA 0.663 4.983 4.320 -0.000 0.000 0.279 238 A C -0.664 176.918 177.584 -0.003 0.000 1.109 238 A CA -0.612 51.404 52.037 -0.036 0.000 0.763 238 A CB 0.928 19.915 19.000 -0.022 0.000 1.257 238 A HN 0.778 nan 8.150 nan 0.000 0.424 239 Q N 2.620 122.403 119.800 -0.028 0.000 2.297 239 Q HA 0.597 4.937 4.340 -0.000 0.000 0.268 239 Q C -2.549 173.413 176.000 -0.063 0.000 1.045 239 Q CA -2.164 53.625 55.803 -0.023 0.000 0.861 239 Q CB 2.561 31.276 28.738 -0.039 0.000 1.344 239 Q HN 0.537 nan 8.270 nan 0.000 0.452 240 P HA 0.121 nan 4.420 nan 0.000 0.281 240 P C -1.246 175.928 177.300 -0.211 0.000 1.249 240 P CA -0.526 62.501 63.100 -0.121 0.000 0.810 240 P CB 0.814 32.443 31.700 -0.118 0.000 1.008 241 L N 3.195 124.284 121.223 -0.225 0.000 2.321 241 L HA 0.397 4.736 4.340 -0.000 0.000 0.272 241 L C 0.325 177.011 176.870 -0.307 0.000 1.050 241 L CA -0.637 53.990 54.840 -0.356 0.000 0.893 241 L CB -0.243 41.578 42.059 -0.397 0.000 1.272 241 L HN 0.276 nan 8.230 nan 0.000 0.435 242 R N 5.075 125.328 120.500 -0.412 0.000 2.272 242 R HA 0.407 4.747 4.340 -0.000 0.000 0.334 242 R C -1.239 174.800 176.300 -0.436 0.000 1.117 242 R CA -0.243 55.596 56.100 -0.435 0.000 0.966 242 R CB 0.085 30.042 30.300 -0.572 0.000 1.049 242 R HN 0.683 nan 8.270 nan 0.000 0.477 243 L N 5.898 126.970 121.223 -0.250 0.000 2.262 243 L HA 0.378 4.718 4.340 -0.000 0.000 0.288 243 L C -0.584 176.253 176.870 -0.056 0.000 1.035 243 L CA -0.813 53.976 54.840 -0.085 0.000 0.820 243 L CB 0.728 42.865 42.059 0.131 0.000 1.204 243 L HN 0.508 nan 8.230 nan 0.000 0.424 244 W N 2.566 123.949 121.300 0.138 0.000 2.261 244 W HA 0.453 5.113 4.660 -0.001 0.000 0.323 244 W C 0.304 176.987 176.519 0.274 0.000 1.243 244 W CA -0.220 57.227 57.345 0.171 0.000 1.210 244 W CB 0.689 30.105 29.460 -0.074 0.000 1.149 244 W HN 0.422 nan 8.180 nan 0.000 0.562 245 Q N 2.098 122.240 119.800 0.569 0.000 2.310 245 Q HA 0.624 4.964 4.340 -0.000 0.000 0.270 245 Q C -0.780 175.437 176.000 0.361 0.000 1.025 245 Q CA -0.720 55.291 55.803 0.346 0.000 0.772 245 Q CB 1.550 30.326 28.738 0.063 0.000 1.253 245 Q HN 0.617 nan 8.270 nan 0.000 0.450 246 A N 2.945 125.828 122.820 0.104 0.000 2.409 246 A HA 0.603 4.923 4.320 -0.000 0.000 0.262 246 A C -0.008 177.562 177.584 -0.023 0.000 1.113 246 A CA 0.261 52.182 52.037 -0.193 0.000 0.790 246 A CB 0.383 19.001 19.000 -0.637 0.000 1.046 246 A HN 0.830 nan 8.150 nan 0.000 0.496 247 T N -0.230 114.333 114.554 0.015 0.000 2.669 247 T HA 0.705 5.054 4.350 -0.000 0.000 0.283 247 T C -0.834 173.912 174.700 0.077 0.000 1.019 247 T CA -0.555 61.584 62.100 0.066 0.000 1.039 247 T CB 1.236 70.158 68.868 0.089 0.000 1.374 247 T HN 0.803 nan 8.240 nan 0.000 0.523 248 H N -0.845 118.232 119.070 0.012 0.000 3.026 248 H HA 0.623 5.178 4.556 -0.000 0.000 0.352 248 H C -0.570 174.736 175.328 -0.036 0.000 1.090 248 H CA -0.227 55.811 56.048 -0.017 0.000 1.268 248 H CB 1.533 31.324 29.762 0.047 0.000 1.816 248 H HN 1.093 nan 8.280 nan 0.000 0.518 249 A N 3.143 125.851 122.820 -0.187 0.000 2.477 249 A HA 0.303 4.622 4.320 -0.000 0.000 0.246 249 A C -0.392 177.086 177.584 -0.177 0.000 1.078 249 A CA 0.405 52.287 52.037 -0.258 0.000 0.770 249 A CB -0.759 17.939 19.000 -0.503 0.000 1.011 249 A HN 1.156 nan 8.150 nan 0.000 0.494 250 H N -0.042 119.138 119.070 0.183 0.000 2.542 250 H HA -0.119 4.437 4.556 -0.000 0.000 0.313 250 H C -2.419 173.060 175.328 0.252 0.000 0.960 250 H CA 0.500 56.671 56.048 0.205 0.000 1.032 250 H CB -1.568 28.289 29.762 0.158 0.000 1.620 250 H HN 0.492 nan 8.280 nan 0.000 0.346 251 P HA 0.190 nan 4.420 nan 0.000 0.272 251 P C -0.557 176.873 177.300 0.216 0.000 1.408 251 P CA -0.017 63.197 63.100 0.190 0.000 0.996 251 P CB 0.309 32.133 31.700 0.206 0.000 1.481 252 F N 0.795 120.801 119.950 0.094 0.000 2.520 252 F HA 0.550 5.077 4.527 -0.000 0.000 0.322 252 F C -0.879 174.966 175.800 0.075 0.000 1.103 252 F CA -0.984 57.063 58.000 0.078 0.000 0.926 252 F CB 1.744 40.778 39.000 0.057 0.000 1.154 252 F HN -0.338 nan 8.300 nan 0.000 0.453 253 D N 6.533 126.442 120.400 -0.817 0.000 2.303 253 D HA 0.172 4.811 4.640 -0.000 0.000 0.236 253 D C 0.779 176.579 176.300 -0.833 0.000 1.068 253 D CA -0.114 53.539 54.000 -0.578 0.000 0.830 253 D CB 1.853 42.466 40.800 -0.311 0.000 1.109 253 D HN 0.757 nan 8.370 nan 0.000 0.496 254 L N 2.820 123.842 121.223 -0.335 0.000 2.044 254 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 254 L C 2.005 178.883 176.870 0.014 0.000 1.075 254 L CA 1.113 55.929 54.840 -0.041 0.000 0.747 254 L CB -0.079 42.067 42.059 0.145 0.000 0.903 254 L HN 0.434 nan 8.230 nan 0.000 0.435 255 T N -0.078 114.458 114.554 -0.029 0.000 2.607 255 T HA -0.271 4.078 4.350 -0.000 0.000 0.267 255 T C 1.821 176.492 174.700 -0.048 0.000 1.049 255 T CA 1.639 63.726 62.100 -0.021 0.000 1.162 255 T CB -0.229 68.617 68.868 -0.036 0.000 0.863 255 T HN 0.282 nan 8.240 nan 0.000 0.424 256 K N 0.132 120.473 120.400 -0.100 0.000 2.044 256 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 256 K C 2.064 178.586 176.600 -0.130 0.000 1.049 256 K CA 1.624 57.833 56.287 -0.129 0.000 0.927 256 K CB -0.560 31.852 32.500 -0.146 0.000 0.713 256 K HN 0.273 nan 8.250 nan 0.000 0.443 257 F N 2.775 122.613 119.950 -0.186 0.000 2.043 257 F HA -0.272 4.254 4.527 -0.000 0.000 0.297 257 F C 1.996 177.801 175.800 0.008 0.000 1.121 257 F CA 1.659 59.654 58.000 -0.008 0.000 1.199 257 F CB -0.292 38.838 39.000 0.217 0.000 0.968 257 F HN 0.062 nan 8.300 nan 0.000 0.478 258 N N 0.370 119.215 118.700 0.241 0.000 2.364 258 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 258 N C 1.083 176.573 175.510 -0.033 0.000 1.022 258 N CA 1.306 54.450 53.050 0.157 0.000 0.883 258 N CB -0.558 38.030 38.487 0.170 0.000 0.965 258 N HN 0.359 nan 8.380 nan 0.000 0.438 259 D N -0.794 119.532 120.400 -0.122 0.000 2.363 259 D HA 0.111 4.751 4.640 -0.000 0.000 0.226 259 D C 1.331 177.447 176.300 -0.306 0.000 1.020 259 D CA 0.609 54.508 54.000 -0.169 0.000 0.892 259 D CB -0.061 40.645 40.800 -0.156 0.000 0.900 259 D HN 0.371 nan 8.370 nan 0.000 0.531 260 G N 0.652 109.114 108.800 -0.564 0.000 2.213 260 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.236 260 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.236 260 G C 0.325 174.439 174.900 -1.310 0.000 0.991 260 G CA -0.064 44.464 45.100 -0.952 0.000 0.629 260 G HN 0.287 nan 8.290 nan 0.000 0.517 261 D N 0.823 120.737 120.400 -0.810 0.000 2.608 261 D HA 0.419 5.059 4.640 -0.000 0.000 0.224 261 D C 1.441 177.478 176.300 -0.439 0.000 1.123 261 D CA -0.523 53.161 54.000 -0.527 0.000 1.030 261 D CB -0.547 40.081 40.800 -0.287 0.000 1.093 261 D HN 0.201 nan 8.370 nan 0.000 0.497 262 F N 0.697 120.557 119.950 -0.151 0.000 2.084 262 F HA -0.124 4.403 4.527 -0.000 0.000 0.296 262 F C 2.120 177.950 175.800 0.050 0.000 1.111 262 F CA 0.341 58.283 58.000 -0.097 0.000 1.224 262 F CB -0.742 38.186 39.000 -0.121 0.000 0.991 262 F HN 0.254 nan 8.300 nan 0.000 0.471 263 L N 0.257 121.587 121.223 0.178 0.000 1.994 263 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 263 L C 2.516 179.434 176.870 0.080 0.000 1.071 263 L CA 1.685 56.603 54.840 0.129 0.000 0.745 263 L CB -0.570 41.542 42.059 0.087 0.000 0.892 263 L HN -0.096 nan 8.230 nan 0.000 0.431 264 R N -0.068 120.443 120.500 0.018 0.000 2.193 264 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 264 R C 2.131 178.416 176.300 -0.026 0.000 1.110 264 R CA 1.159 57.249 56.100 -0.017 0.000 0.988 264 R CB -0.834 29.433 30.300 -0.054 0.000 0.871 264 R HN 0.563 nan 8.270 nan 0.000 0.458 265 A N 0.361 123.173 122.820 -0.012 0.000 2.024 265 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 265 A C 1.340 178.892 177.584 -0.053 0.000 1.164 265 A CA 1.451 53.438 52.037 -0.084 0.000 0.643 265 A CB -0.190 18.840 19.000 0.050 0.000 0.806 265 A HN 0.213 nan 8.150 nan 0.000 0.451 266 E N -0.827 119.429 120.200 0.094 0.000 2.463 266 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 266 E C 1.648 178.295 176.600 0.078 0.000 1.041 266 E CA 0.233 56.723 56.400 0.150 0.000 0.879 266 E CB 0.116 29.937 29.700 0.202 0.000 0.997 266 E HN 0.728 nan 8.360 nan 0.000 0.478 267 Q N 1.430 121.244 119.800 0.023 0.000 2.045 267 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 267 Q C 2.096 178.085 176.000 -0.019 0.000 0.991 267 Q CA 1.958 57.758 55.803 -0.007 0.000 0.851 267 Q CB -0.052 28.663 28.738 -0.038 0.000 0.911 267 Q HN 0.271 nan 8.270 nan 0.000 0.418 268 Q N -1.335 118.443 119.800 -0.037 0.000 2.077 268 Q HA -0.175 4.164 4.340 -0.000 0.000 0.206 268 Q C 1.914 177.908 176.000 -0.009 0.000 0.989 268 Q CA 1.547 57.302 55.803 -0.079 0.000 0.853 268 Q CB -0.580 28.038 28.738 -0.201 0.000 0.907 268 Q HN 0.599 nan 8.270 nan 0.000 0.418 269 G N 0.887 109.710 108.800 0.039 0.000 2.459 269 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 269 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 269 G C 1.399 176.372 174.900 0.122 0.000 1.183 269 G CA 0.882 46.053 45.100 0.119 0.000 0.776 269 G HN 0.314 nan 8.290 nan 0.000 0.552 270 I N 1.014 121.637 120.570 0.089 0.000 2.194 270 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 270 I C 2.488 178.645 176.117 0.067 0.000 1.093 270 I CA 1.463 62.810 61.300 0.077 0.000 1.355 270 I CB -0.605 37.434 38.000 0.064 0.000 1.046 270 I HN 0.290 nan 8.210 nan 0.000 0.413 271 N N 0.447 119.170 118.700 0.037 0.000 2.289 271 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 271 N C 1.833 177.428 175.510 0.142 0.000 1.016 271 N CA 1.071 54.114 53.050 -0.012 0.000 0.872 271 N CB -0.026 38.318 38.487 -0.239 0.000 0.973 271 N HN 0.367 nan 8.380 nan 0.000 0.433 272 A N 1.078 124.064 122.820 0.277 0.000 1.911 272 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 272 A C 1.857 179.492 177.584 0.084 0.000 1.189 272 A CA 0.741 52.948 52.037 0.283 0.000 0.639 272 A CB -0.159 19.003 19.000 0.271 0.000 0.839 272 A HN 0.161 nan 8.150 nan 0.000 0.449 273 E N 0.497 120.752 120.200 0.091 0.000 2.204 273 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 273 E C 1.814 178.454 176.600 0.067 0.000 0.989 273 E CA 1.387 57.821 56.400 0.058 0.000 0.824 273 E CB -0.125 29.620 29.700 0.074 0.000 0.756 273 E HN 0.788 nan 8.360 nan 0.000 0.477 274 K N 0.806 121.254 120.400 0.080 0.000 2.147 274 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 274 K C 1.882 178.547 176.600 0.109 0.000 1.049 274 K CA 1.152 57.498 56.287 0.099 0.000 0.936 274 K CB -0.411 32.141 32.500 0.087 0.000 0.722 274 K HN 0.096 nan 8.250 nan 0.000 0.446 275 L N 1.715 122.979 121.223 0.068 0.000 2.263 275 L HA -0.111 4.228 4.340 -0.000 0.000 0.216 275 L C 1.375 178.359 176.870 0.190 0.000 1.111 275 L CA 1.466 56.360 54.840 0.089 0.000 0.773 275 L CB -1.145 40.883 42.059 -0.052 0.000 0.906 275 L HN 0.457 nan 8.230 nan 0.000 0.439 276 T N -5.046 109.609 114.554 0.168 0.000 3.313 276 T HA 0.245 4.595 4.350 -0.000 0.000 0.263 276 T C 1.058 175.929 174.700 0.285 0.000 0.983 276 T CA -0.652 61.613 62.100 0.275 0.000 0.963 276 T CB 0.493 69.468 68.868 0.179 0.000 1.141 276 T HN 0.027 nan 8.240 nan 0.000 0.526 277 K N 0.716 121.278 120.400 0.270 0.000 2.108 277 K HA 0.298 4.617 4.320 -0.000 0.000 0.204 277 K C 0.586 177.373 176.600 0.312 0.000 1.036 277 K CA 0.514 56.972 56.287 0.286 0.000 0.965 277 K CB 0.204 32.884 32.500 0.299 0.000 0.804 277 K HN 0.297 nan 8.250 nan 0.000 0.454 278 V N 2.582 122.616 119.914 0.199 0.000 2.680 278 V HA 0.261 4.380 4.120 -0.000 0.000 0.309 278 V C -0.392 175.545 176.094 -0.261 0.000 1.052 278 V CA -0.951 61.380 62.300 0.052 0.000 0.908 278 V CB 2.500 34.383 31.823 0.100 0.000 1.001 278 V HN 0.177 nan 8.190 nan 0.000 0.431 279 L N 5.760 126.642 121.223 -0.567 0.000 2.281 279 L HA 0.357 4.696 4.340 -0.000 0.000 0.285 279 L C -0.671 175.998 176.870 -0.335 0.000 1.074 279 L CA -0.038 54.230 54.840 -0.954 0.000 0.817 279 L CB -0.125 41.373 42.059 -0.936 0.000 1.168 279 L HN 0.909 nan 8.230 nan 0.000 0.434 280 Y N 3.193 123.397 120.300 -0.160 0.000 3.027 280 Y HA -0.169 4.381 4.550 0.000 0.000 0.195 280 Y C -1.888 174.021 175.900 0.015 0.000 1.381 280 Y CA -0.472 57.608 58.100 -0.034 0.000 1.015 280 Y CB -2.278 36.170 38.460 -0.020 0.000 1.329 280 Y HN 0.533 nan 8.280 nan 0.000 0.462 281 P HA 0.067 nan 4.420 nan 0.000 0.272 281 P C 0.333 177.712 177.300 0.132 0.000 1.240 281 P CA -0.348 62.835 63.100 0.138 0.000 0.791 281 P CB 0.756 32.529 31.700 0.121 0.000 0.978 282 N N 1.621 120.400 118.700 0.132 0.000 2.374 282 N HA -0.096 4.644 4.740 -0.000 0.000 0.269 282 N C 0.282 175.838 175.510 0.077 0.000 1.310 282 N CA 0.349 53.478 53.050 0.132 0.000 0.877 282 N CB -0.285 38.312 38.487 0.182 0.000 1.096 282 N HN 0.286 nan 8.380 nan 0.000 0.484 283 D N 1.000 121.420 120.400 0.034 0.000 2.424 283 D HA 0.001 4.641 4.640 -0.000 0.000 0.220 283 D C -0.087 176.205 176.300 -0.013 0.000 1.150 283 D CA -0.244 53.734 54.000 -0.037 0.000 0.831 283 D CB -0.732 40.086 40.800 0.030 0.000 0.981 283 D HN 0.370 nan 8.370 nan 0.000 0.500 284 N N 2.268 121.021 118.700 0.088 0.000 3.254 284 N HA 0.010 4.749 4.740 -0.000 0.000 0.308 284 N C -1.028 174.637 175.510 0.258 0.000 1.281 284 N CA 0.015 53.140 53.050 0.124 0.000 1.212 284 N CB -0.789 37.761 38.487 0.104 0.000 1.478 284 N HN 0.350 nan 8.380 nan 0.000 0.548 285 H N -2.373 116.721 119.070 0.039 0.000 2.869 285 H HA -0.028 4.528 4.556 -0.000 0.000 0.265 285 H C 0.002 175.367 175.328 0.063 0.000 1.227 285 H CA -0.313 55.761 56.048 0.044 0.000 1.677 285 H CB -0.443 29.343 29.762 0.039 0.000 1.927 285 H HN -0.036 nan 8.280 nan 0.000 0.495 286 T N 1.942 116.554 114.554 0.097 0.000 2.565 286 T HA -0.230 4.120 4.350 -0.000 0.000 0.265 286 T C 2.310 176.990 174.700 -0.033 0.000 1.082 286 T CA 3.259 65.385 62.100 0.043 0.000 1.173 286 T CB -0.726 68.183 68.868 0.069 0.000 0.864 286 T HN 0.706 nan 8.240 nan 0.000 0.425 287 A N 1.584 124.403 122.820 -0.002 0.000 1.927 287 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 287 A C 2.618 180.077 177.584 -0.209 0.000 1.185 287 A CA 2.356 54.373 52.037 -0.033 0.000 0.639 287 A CB -1.618 17.470 19.000 0.147 0.000 0.820 287 A HN 0.576 nan 8.150 nan 0.000 0.451 288 G N -0.362 108.014 108.800 -0.707 0.000 2.511 288 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 288 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 288 G C 1.640 176.473 174.900 -0.111 0.000 1.218 288 G CA 1.199 45.989 45.100 -0.518 0.000 0.788 288 G HN 0.417 nan 8.290 nan 0.000 0.560 289 K N 0.692 121.065 120.400 -0.045 0.000 2.020 289 K HA -0.123 4.197 4.320 -0.000 0.000 0.212 289 K C 2.346 179.049 176.600 0.173 0.000 1.050 289 K CA 1.535 57.957 56.287 0.225 0.000 0.929 289 K CB -0.606 32.050 32.500 0.259 0.000 0.714 289 K HN 0.433 nan 8.250 nan 0.000 0.443 290 K N 0.768 121.194 120.400 0.044 0.000 2.044 290 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 290 K C 2.167 178.749 176.600 -0.031 0.000 1.049 290 K CA 1.296 57.568 56.287 -0.025 0.000 0.927 290 K CB -0.264 32.231 32.500 -0.009 0.000 0.713 290 K HN -0.008 nan 8.250 nan 0.000 0.443 291 L N 1.706 122.936 121.223 0.011 0.000 2.083 291 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 291 L C 2.192 179.109 176.870 0.079 0.000 1.083 291 L CA 1.599 56.467 54.840 0.048 0.000 0.752 291 L CB -0.485 41.609 42.059 0.058 0.000 0.899 291 L HN 0.165 nan 8.230 nan 0.000 0.433 292 R N -0.714 119.856 120.500 0.116 0.000 2.081 292 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 292 R C 2.152 178.507 176.300 0.092 0.000 1.131 292 R CA 1.541 57.769 56.100 0.213 0.000 0.960 292 R CB -1.136 29.423 30.300 0.432 0.000 0.856 292 R HN 0.347 nan 8.270 nan 0.000 0.436 293 L N 0.718 121.805 121.223 -0.226 0.000 2.217 293 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 293 L C 2.143 178.924 176.870 -0.148 0.000 1.107 293 L CA 1.357 55.899 54.840 -0.496 0.000 0.783 293 L CB -0.241 41.171 42.059 -1.078 0.000 0.919 293 L HN 0.101 nan 8.230 nan 0.000 0.442 294 M N -1.872 117.716 119.600 -0.021 0.000 2.193 294 M HA -0.164 4.315 4.480 -0.000 0.000 0.265 294 M C 2.197 178.622 176.300 0.209 0.000 1.071 294 M CA 1.294 56.666 55.300 0.120 0.000 1.140 294 M CB -0.378 32.294 32.600 0.120 0.000 1.369 294 M HN 0.282 nan 8.290 nan 0.000 0.423 295 Q N 0.434 120.349 119.800 0.192 0.000 2.061 295 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 295 Q C 2.059 178.222 176.000 0.272 0.000 0.984 295 Q CA 1.734 57.698 55.803 0.268 0.000 0.846 295 Q CB -0.146 28.753 28.738 0.268 0.000 0.902 295 Q HN 0.608 nan 8.270 nan 0.000 0.421 296 Q N -0.894 119.032 119.800 0.211 0.000 2.079 296 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 296 Q C 1.834 177.910 176.000 0.127 0.000 0.974 296 Q CA 1.425 57.338 55.803 0.183 0.000 0.840 296 Q CB -0.171 28.677 28.738 0.182 0.000 0.898 296 Q HN 0.396 nan 8.270 nan 0.000 0.430 297 Y N 0.484 120.786 120.300 0.004 0.000 2.184 297 Y HA -0.250 4.300 4.550 -0.001 0.000 0.290 297 Y C 1.959 177.875 175.900 0.027 0.000 1.129 297 Y CA 1.136 59.209 58.100 -0.045 0.000 1.144 297 Y CB -0.489 37.908 38.460 -0.105 0.000 0.995 297 Y HN 0.108 nan 8.280 nan 0.000 0.513 298 F N 1.526 121.355 119.950 -0.202 0.000 2.027 298 F HA -0.360 4.167 4.527 -0.000 0.000 0.297 298 F C 2.596 178.177 175.800 -0.365 0.000 1.129 298 F CA 2.651 60.486 58.000 -0.275 0.000 1.195 298 F CB -1.299 37.670 39.000 -0.050 0.000 0.960 298 F HN 0.279 nan 8.300 nan 0.000 0.485 299 Q N -0.153 119.401 119.800 -0.411 0.000 1.998 299 Q HA -0.294 4.046 4.340 -0.000 0.000 0.209 299 Q C 2.470 178.177 176.000 -0.489 0.000 1.002 299 Q CA 3.067 58.594 55.803 -0.460 0.000 0.858 299 Q CB -0.899 27.834 28.738 -0.009 0.000 0.932 299 Q HN 0.607 nan 8.270 nan 0.000 0.416 300 C N 0.081 119.202 119.300 -0.299 0.000 2.398 300 C HA -0.193 4.266 4.460 -0.000 0.000 0.276 300 C C 2.911 177.662 174.990 -0.399 0.000 1.222 300 C CA 0.906 59.772 59.018 -0.253 0.000 1.746 300 C CB -1.506 26.158 27.740 -0.127 0.000 2.039 300 C HN 0.748 nan 8.230 nan 0.000 0.470 301 A N -0.878 121.589 122.820 -0.589 0.000 1.873 301 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 301 A C 2.203 179.455 177.584 -0.554 0.000 1.193 301 A CA 2.400 54.100 52.037 -0.562 0.000 0.629 301 A CB -1.327 17.200 19.000 -0.790 0.000 0.826 301 A HN 0.680 nan 8.150 nan 0.000 0.447 302 C N -0.814 117.953 119.300 -0.887 0.000 2.413 302 C HA -0.106 4.354 4.460 -0.000 0.000 0.278 302 C C 3.299 177.749 174.990 -0.900 0.000 1.224 302 C CA 1.458 59.724 59.018 -1.254 0.000 1.732 302 C CB -1.389 24.751 27.740 -2.666 0.000 2.050 302 C HN 0.654 nan 8.230 nan 0.000 0.463 303 S N 0.593 115.839 115.700 -0.757 0.000 2.365 303 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 303 S C 1.855 176.233 174.600 -0.370 0.000 1.039 303 S CA 1.773 59.658 58.200 -0.526 0.000 1.033 303 S CB -0.539 62.322 63.200 -0.565 0.000 0.887 303 S HN 0.483 nan 8.310 nan 0.000 0.447 304 V N 2.057 121.812 119.914 -0.266 0.000 2.287 304 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 304 V C 2.681 178.716 176.094 -0.097 0.000 1.053 304 V CA 1.814 64.037 62.300 -0.128 0.000 1.027 304 V CB -1.329 30.466 31.823 -0.047 0.000 0.646 304 V HN 0.565 nan 8.190 nan 0.000 0.447 305 A N -0.025 122.720 122.820 -0.124 0.000 1.865 305 A HA -0.332 3.988 4.320 -0.000 0.000 0.217 305 A C 2.071 179.647 177.584 -0.014 0.000 1.191 305 A CA 2.406 54.402 52.037 -0.068 0.000 0.623 305 A CB -0.843 18.093 19.000 -0.106 0.000 0.826 305 A HN 0.590 nan 8.150 nan 0.000 0.444 306 D N -0.233 120.176 120.400 0.014 0.000 2.092 306 D HA -0.137 4.502 4.640 -0.000 0.000 0.193 306 D C 1.763 178.143 176.300 0.133 0.000 0.994 306 D CA 1.621 55.722 54.000 0.168 0.000 0.828 306 D CB -0.263 40.804 40.800 0.446 0.000 0.963 306 D HN 0.485 nan 8.370 nan 0.000 0.450 307 I N 0.155 120.766 120.570 0.069 0.000 2.163 307 I HA -0.265 3.904 4.170 -0.000 0.000 0.243 307 I C 2.445 178.584 176.117 0.037 0.000 1.085 307 I CA 0.737 62.076 61.300 0.065 0.000 1.347 307 I CB -0.282 37.719 38.000 0.003 0.000 1.044 307 I HN 0.130 nan 8.210 nan 0.000 0.408 308 L N 0.169 121.397 121.223 0.009 0.000 2.083 308 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 308 L C 2.791 179.716 176.870 0.091 0.000 1.083 308 L CA 1.334 56.187 54.840 0.021 0.000 0.752 308 L CB -0.717 41.338 42.059 -0.007 0.000 0.899 308 L HN 0.301 nan 8.230 nan 0.000 0.433 309 R N 0.496 121.041 120.500 0.076 0.000 2.081 309 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 309 R C 2.545 178.909 176.300 0.107 0.000 1.131 309 R CA 1.343 57.500 56.100 0.094 0.000 0.960 309 R CB -0.186 30.157 30.300 0.072 0.000 0.856 309 R HN 0.247 nan 8.270 nan 0.000 0.436 310 R N -0.331 120.215 120.500 0.077 0.000 2.070 310 R HA -0.218 4.121 4.340 -0.000 0.000 0.233 310 R C 2.137 178.443 176.300 0.011 0.000 1.137 310 R CA 2.215 58.329 56.100 0.023 0.000 0.945 310 R CB -0.819 29.479 30.300 -0.004 0.000 0.845 310 R HN 0.356 nan 8.270 nan 0.000 0.430 311 H N -0.130 118.895 119.070 -0.074 0.000 2.321 311 H HA -0.232 4.324 4.556 -0.000 0.000 0.295 311 H C 2.112 177.373 175.328 -0.111 0.000 1.102 311 H CA 2.633 58.608 56.048 -0.122 0.000 1.266 311 H CB -0.567 29.137 29.762 -0.097 0.000 1.363 311 H HN 0.529 nan 8.280 nan 0.000 0.492 312 H N -0.365 118.663 119.070 -0.070 0.000 2.353 312 H HA -0.051 4.504 4.556 -0.000 0.000 0.300 312 H C 2.241 177.477 175.328 -0.153 0.000 1.090 312 H CA 1.889 57.858 56.048 -0.132 0.000 1.327 312 H CB -0.343 29.397 29.762 -0.037 0.000 1.383 312 H HN 0.380 nan 8.280 nan 0.000 0.508 313 L N -0.204 120.923 121.223 -0.159 0.000 2.275 313 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 313 L C 2.459 179.188 176.870 -0.235 0.000 1.119 313 L CA 0.734 55.458 54.840 -0.193 0.000 0.790 313 L CB -0.455 41.562 42.059 -0.069 0.000 0.919 313 L HN 0.416 nan 8.230 nan 0.000 0.443 314 A N -0.118 122.548 122.820 -0.257 0.000 2.235 314 A HA 0.251 4.571 4.320 -0.000 0.000 0.208 314 A C 1.758 179.139 177.584 -0.338 0.000 1.172 314 A CA 0.680 52.551 52.037 -0.276 0.000 0.786 314 A CB -0.587 18.234 19.000 -0.298 0.000 0.804 314 A HN 0.505 nan 8.150 nan 0.000 0.479 315 G N -0.435 108.130 108.800 -0.393 0.000 2.198 315 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 315 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 315 G C 0.333 174.987 174.900 -0.410 0.000 1.025 315 G CA 0.617 45.483 45.100 -0.389 0.000 0.769 315 G HN 0.714 nan 8.290 nan 0.000 0.507 326 L N 2.011 123.244 121.223 0.018 0.000 2.191 326 L HA -0.147 4.192 4.340 -0.000 0.000 0.212 326 L C 2.340 179.227 176.870 0.028 0.000 1.103 326 L CA 1.523 56.378 54.840 0.025 0.000 0.769 326 L CB -0.373 41.632 42.059 -0.091 0.000 0.908 326 L HN 0.674 nan 8.230 nan 0.000 0.438 327 H N -1.007 118.087 119.070 0.040 0.000 2.546 327 H HA -0.059 4.497 4.556 -0.001 0.000 0.277 327 H C 0.668 176.025 175.328 0.049 0.000 1.004 327 H CA 0.640 56.704 56.048 0.026 0.000 1.231 327 H CB 0.185 29.965 29.762 0.030 0.000 1.382 327 H HN 0.465 nan 8.280 nan 0.000 0.580 328 E N 1.131 121.296 120.200 -0.058 0.000 2.499 328 E HA 0.113 4.462 4.350 -0.000 0.000 0.199 328 E C 1.790 178.496 176.600 0.177 0.000 1.016 328 E CA -0.394 56.054 56.400 0.081 0.000 0.933 328 E CB 0.648 30.406 29.700 0.096 0.000 1.050 328 E HN 0.303 nan 8.360 nan 0.000 0.462 329 L N 1.004 122.185 121.223 -0.070 0.000 2.021 329 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 329 L C 2.266 179.061 176.870 -0.124 0.000 1.074 329 L CA 2.105 56.724 54.840 -0.367 0.000 0.760 329 L CB -0.523 41.291 42.059 -0.407 0.000 0.889 329 L HN 0.270 nan 8.230 nan 0.000 0.433 330 A N -0.668 122.089 122.820 -0.104 0.000 1.978 330 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 330 A C 1.740 179.265 177.584 -0.098 0.000 1.170 330 A CA 1.850 53.812 52.037 -0.125 0.000 0.636 330 A CB -0.501 18.409 19.000 -0.151 0.000 0.810 330 A HN 0.513 nan 8.150 nan 0.000 0.448 331 D N -2.111 118.254 120.400 -0.059 0.000 2.312 331 D HA -0.044 4.596 4.640 -0.000 0.000 0.211 331 D C 0.800 176.866 176.300 -0.390 0.000 0.964 331 D CA 1.089 54.960 54.000 -0.214 0.000 0.877 331 D CB -0.086 40.557 40.800 -0.262 0.000 0.924 331 D HN 0.697 nan 8.370 nan 0.000 0.515 332 Y N -0.247 120.052 120.300 -0.001 0.000 2.452 332 Y HA 0.221 4.771 4.550 -0.000 0.000 0.262 332 Y C 0.662 176.578 175.900 0.027 0.000 1.089 332 Y CA -0.184 57.938 58.100 0.035 0.000 1.262 332 Y CB 0.999 39.522 38.460 0.106 0.000 1.236 332 Y HN -0.283 nan 8.280 nan 0.000 0.512 333 E N 0.655 120.917 120.200 0.103 0.000 2.288 333 E HA 0.638 4.988 4.350 -0.000 0.000 0.268 333 E C -1.241 175.353 176.600 -0.010 0.000 0.885 333 E CA -0.737 55.693 56.400 0.049 0.000 0.767 333 E CB 3.055 32.746 29.700 -0.016 0.000 1.220 333 E HN -0.206 nan 8.360 nan 0.000 0.427 334 V N 1.475 121.390 119.914 0.001 0.000 2.623 334 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 334 V C -0.114 175.974 176.094 -0.010 0.000 1.054 334 V CA -0.758 61.558 62.300 0.026 0.000 0.882 334 V CB 1.653 33.500 31.823 0.042 0.000 1.002 334 V HN 0.534 nan 8.190 nan 0.000 0.424 335 I N 3.411 123.992 120.570 0.019 0.000 2.359 335 I HA 0.404 4.574 4.170 -0.000 0.000 0.284 335 I C -0.271 175.944 176.117 0.163 0.000 1.018 335 I CA -0.543 60.785 61.300 0.048 0.000 1.173 335 I CB 1.683 39.653 38.000 -0.050 0.000 1.326 335 I HN 0.622 nan 8.210 nan 0.000 0.462 336 Q N 6.684 126.575 119.800 0.152 0.000 2.295 336 Q HA 0.357 4.696 4.340 -0.000 0.000 0.259 336 Q C -0.999 175.023 176.000 0.037 0.000 0.976 336 Q CA 0.087 56.005 55.803 0.191 0.000 0.923 336 Q CB 1.005 29.963 28.738 0.366 0.000 1.185 336 Q HN 0.610 nan 8.270 nan 0.000 0.410 337 L N 4.594 125.892 121.223 0.126 0.000 2.302 337 L HA 0.287 4.626 4.340 -0.000 0.000 0.285 337 L C 0.016 176.974 176.870 0.147 0.000 1.090 337 L CA -0.651 54.263 54.840 0.124 0.000 0.866 337 L CB 0.210 42.379 42.059 0.184 0.000 1.244 337 L HN 0.612 nan 8.230 nan 0.000 0.435 338 N N 4.421 123.130 118.700 0.015 0.000 2.438 338 N HA -0.009 4.731 4.740 -0.000 0.000 0.267 338 N C 0.101 175.785 175.510 0.290 0.000 1.222 338 N CA 0.682 53.825 53.050 0.156 0.000 0.930 338 N CB 0.149 38.648 38.487 0.021 0.000 1.083 338 N HN 0.567 nan 8.380 nan 0.000 0.476 339 D N 0.367 121.032 120.400 0.441 0.000 5.377 339 D HA -0.219 4.421 4.640 -0.000 0.000 0.315 339 D C 0.012 176.450 176.300 0.229 0.000 2.498 339 D CA 1.550 55.784 54.000 0.390 0.000 1.245 339 D CB -0.263 40.608 40.800 0.117 0.000 1.150 339 D HN 0.613 nan 8.370 nan 0.000 1.307 340 T N -2.013 112.516 114.554 -0.041 0.000 3.144 340 T HA 0.110 4.460 4.350 -0.000 0.000 0.249 340 T C 1.452 176.112 174.700 -0.068 0.000 1.089 340 T CA 1.014 63.030 62.100 -0.140 0.000 0.989 340 T CB -0.357 68.411 68.868 -0.167 0.000 0.992 340 T HN 0.439 nan 8.240 nan 0.000 0.540 341 H N 2.682 121.848 119.070 0.160 0.000 2.319 341 H HA -0.000 4.556 4.556 0.001 0.000 0.299 341 H C -0.574 174.848 175.328 0.156 0.000 1.092 341 H CA 1.662 57.828 56.048 0.197 0.000 1.302 341 H CB -1.125 28.775 29.762 0.231 0.000 1.373 341 H HN 0.400 nan 8.280 nan 0.000 0.497 342 P HA 0.075 nan 4.420 nan 0.000 0.257 342 P C 0.560 177.872 177.300 0.020 0.000 1.325 342 P CA 0.569 63.742 63.100 0.123 0.000 0.850 342 P CB 0.359 32.137 31.700 0.130 0.000 1.324 343 T N 1.221 115.766 114.554 -0.016 0.000 2.649 343 T HA -0.223 4.126 4.350 -0.000 0.000 0.268 343 T C 1.618 176.243 174.700 -0.125 0.000 1.036 343 T CA 1.535 63.565 62.100 -0.117 0.000 1.157 343 T CB -0.879 67.932 68.868 -0.096 0.000 0.861 343 T HN 0.076 nan 8.240 nan 0.000 0.445 344 I N 1.545 122.089 120.570 -0.043 0.000 2.597 344 I HA -0.194 3.976 4.170 -0.000 0.000 0.262 344 I C 2.294 178.390 176.117 -0.034 0.000 1.194 344 I CA 0.656 61.936 61.300 -0.034 0.000 1.437 344 I CB -0.686 37.308 38.000 -0.010 0.000 1.096 344 I HN 0.224 nan 8.210 nan 0.000 0.451 345 A N 0.242 123.009 122.820 -0.087 0.000 1.933 345 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 345 A C 2.281 179.754 177.584 -0.186 0.000 1.175 345 A CA 1.835 53.830 52.037 -0.070 0.000 0.628 345 A CB -0.810 18.186 19.000 -0.007 0.000 0.814 345 A HN 0.488 nan 8.150 nan 0.000 0.444 346 I N 0.468 120.713 120.570 -0.542 0.000 2.069 346 I HA -0.209 3.961 4.170 -0.000 0.000 0.237 346 I C -0.394 175.667 176.117 -0.094 0.000 1.053 346 I CA 1.925 62.851 61.300 -0.624 0.000 1.311 346 I CB -1.200 36.411 38.000 -0.649 0.000 1.030 346 I HN 0.224 nan 8.210 nan 0.000 0.398 347 P HA -0.227 nan 4.420 nan 0.000 0.216 347 P C 1.361 178.814 177.300 0.254 0.000 1.150 347 P CA 1.749 64.961 63.100 0.186 0.000 0.843 347 P CB -0.049 31.808 31.700 0.262 0.000 0.787 348 E N 0.368 120.758 120.200 0.316 0.000 2.023 348 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 348 E C 1.932 178.666 176.600 0.223 0.000 1.003 348 E CA 1.090 57.727 56.400 0.395 0.000 0.809 348 E CB -1.393 28.504 29.700 0.328 0.000 0.755 348 E HN 0.052 nan 8.360 nan 0.000 0.449 349 L N 0.027 121.366 121.223 0.193 0.000 2.191 349 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 349 L C 2.181 179.111 176.870 0.099 0.000 1.103 349 L CA 1.359 56.294 54.840 0.158 0.000 0.769 349 L CB -0.294 41.906 42.059 0.235 0.000 0.908 349 L HN 0.305 nan 8.230 nan 0.000 0.438 350 L N -0.961 120.307 121.223 0.075 0.000 2.056 350 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 350 L C 2.790 179.669 176.870 0.016 0.000 1.078 350 L CA 1.358 56.191 54.840 -0.012 0.000 0.749 350 L CB -0.396 41.614 42.059 -0.081 0.000 0.901 350 L HN 0.280 nan 8.230 nan 0.000 0.433 351 R N -0.273 120.250 120.500 0.038 0.000 2.096 351 R HA -0.183 4.156 4.340 -0.000 0.000 0.240 351 R C 2.120 178.467 176.300 0.079 0.000 1.139 351 R CA 2.074 58.190 56.100 0.026 0.000 0.952 351 R CB -0.256 30.008 30.300 -0.060 0.000 0.854 351 R HN 0.183 nan 8.270 nan 0.000 0.436 352 V N 1.133 121.114 119.914 0.111 0.000 2.307 352 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 352 V C 2.413 178.648 176.094 0.235 0.000 1.045 352 V CA 1.235 63.627 62.300 0.153 0.000 1.024 352 V CB -0.573 31.352 31.823 0.169 0.000 0.651 352 V HN 0.258 nan 8.190 nan 0.000 0.449 353 L N -0.398 120.933 121.223 0.179 0.000 1.971 353 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 353 L C 2.296 179.258 176.870 0.152 0.000 1.072 353 L CA 2.003 56.941 54.840 0.164 0.000 0.758 353 L CB -1.078 41.008 42.059 0.045 0.000 0.889 353 L HN 0.244 nan 8.230 nan 0.000 0.433 354 I N -0.472 120.157 120.570 0.098 0.000 2.110 354 I HA -0.283 3.887 4.170 -0.000 0.000 0.236 354 I C 2.030 178.207 176.117 0.099 0.000 1.068 354 I CA 1.537 62.900 61.300 0.104 0.000 1.333 354 I CB -0.449 37.620 38.000 0.116 0.000 1.054 354 I HN 0.252 nan 8.210 nan 0.000 0.402 355 D N 0.343 120.795 120.400 0.086 0.000 2.194 355 D HA -0.097 4.542 4.640 -0.000 0.000 0.204 355 D C 1.926 178.240 176.300 0.023 0.000 0.964 355 D CA 1.004 55.044 54.000 0.067 0.000 0.846 355 D CB -0.045 40.802 40.800 0.079 0.000 0.962 355 D HN 0.473 nan 8.370 nan 0.000 0.490 356 E N -0.781 119.416 120.200 -0.005 0.000 2.389 356 E HA 0.042 4.392 4.350 -0.000 0.000 0.199 356 E C 0.597 176.969 176.600 -0.379 0.000 0.978 356 E CA 0.259 56.556 56.400 -0.172 0.000 0.912 356 E CB 0.275 29.851 29.700 -0.207 0.000 0.907 356 E HN 0.379 nan 8.360 nan 0.000 0.494 357 H N 0.274 119.362 119.070 0.030 0.000 2.674 357 H HA 0.167 4.723 4.556 -0.000 0.000 0.274 357 H C -0.517 174.835 175.328 0.039 0.000 1.121 357 H CA -0.190 55.875 56.048 0.030 0.000 1.132 357 H CB 0.598 30.378 29.762 0.030 0.000 1.606 357 H HN -0.095 nan 8.280 nan 0.000 0.558 358 Q N -0.110 119.747 119.800 0.094 0.000 2.435 358 Q HA -0.213 4.127 4.340 -0.000 0.000 0.312 358 Q C -0.594 175.469 176.000 0.105 0.000 1.333 358 Q CA 0.698 56.554 55.803 0.087 0.000 0.883 358 Q CB -1.479 27.298 28.738 0.064 0.000 1.170 358 Q HN 0.585 nan 8.270 nan 0.000 0.443 359 M N 0.147 119.817 119.600 0.117 0.000 2.367 359 M HA 0.334 4.814 4.480 -0.000 0.000 0.339 359 M C 0.730 177.097 176.300 0.112 0.000 1.177 359 M CA -0.232 55.131 55.300 0.105 0.000 1.068 359 M CB 1.227 33.883 32.600 0.093 0.000 1.602 359 M HN 0.394 nan 8.290 nan 0.000 0.457 360 S N 2.478 118.248 115.700 0.117 0.000 2.626 360 S HA 0.061 4.531 4.470 -0.000 0.000 0.257 360 S C 0.855 175.579 174.600 0.207 0.000 1.288 360 S CA -0.635 57.661 58.200 0.160 0.000 0.980 360 S CB 0.403 63.693 63.200 0.150 0.000 0.975 360 S HN 0.946 nan 8.310 nan 0.000 0.577 361 W N 1.023 122.380 121.300 0.095 0.000 2.354 361 W HA -0.140 4.519 4.660 -0.001 0.000 0.315 361 W C 1.264 177.891 176.519 0.178 0.000 1.206 361 W CA 2.012 59.430 57.345 0.121 0.000 1.290 361 W CB -0.814 28.684 29.460 0.063 0.000 1.152 361 W HN 0.713 nan 8.180 nan 0.000 0.489 362 D N 0.486 121.096 120.400 0.350 0.000 2.190 362 D HA -0.196 4.444 4.640 -0.000 0.000 0.200 362 D C 1.461 177.871 176.300 0.184 0.000 0.992 362 D CA 1.810 55.977 54.000 0.278 0.000 0.854 362 D CB -0.454 40.483 40.800 0.228 0.000 0.936 362 D HN 0.195 nan 8.370 nan 0.000 0.462 363 D N 0.244 120.719 120.400 0.126 0.000 2.110 363 D HA -0.004 4.636 4.640 -0.000 0.000 0.202 363 D C 2.103 178.427 176.300 0.040 0.000 0.975 363 D CA 1.213 55.260 54.000 0.078 0.000 0.839 363 D CB -0.460 40.381 40.800 0.068 0.000 0.996 363 D HN 0.088 nan 8.370 nan 0.000 0.464 364 A N 1.135 123.958 122.820 0.005 0.000 1.865 364 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 364 A C 2.179 179.710 177.584 -0.089 0.000 1.191 364 A CA 1.447 53.446 52.037 -0.063 0.000 0.623 364 A CB -1.409 17.511 19.000 -0.133 0.000 0.826 364 A HN 0.476 nan 8.150 nan 0.000 0.444 365 W N 0.551 121.643 121.300 -0.346 0.000 2.325 365 W HA -0.216 4.443 4.660 -0.002 0.000 0.299 365 W C 2.175 178.648 176.519 -0.078 0.000 1.215 365 W CA 1.783 58.963 57.345 -0.275 0.000 1.244 365 W CB -0.099 29.208 29.460 -0.256 0.000 1.140 365 W HN 0.444 nan 8.180 nan 0.000 0.523 366 A N -0.195 122.642 122.820 0.028 0.000 2.216 366 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 366 A C 1.798 179.326 177.584 -0.095 0.000 1.160 366 A CA 1.172 53.197 52.037 -0.020 0.000 0.725 366 A CB -0.525 18.502 19.000 0.045 0.000 0.784 366 A HN 0.381 nan 8.150 nan 0.000 0.472 367 I N -1.242 119.250 120.570 -0.131 0.000 2.947 367 I HA -0.095 4.074 4.170 -0.000 0.000 0.263 367 I C 2.801 178.792 176.117 -0.209 0.000 1.130 367 I CA 1.289 62.506 61.300 -0.140 0.000 1.448 367 I CB -0.324 37.613 38.000 -0.105 0.000 1.222 367 I HN 0.447 nan 8.210 nan 0.000 0.453 368 T N -1.146 113.265 114.554 -0.239 0.000 2.720 368 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 368 T C 1.989 176.563 174.700 -0.210 0.000 1.037 368 T CA 1.789 63.784 62.100 -0.176 0.000 1.144 368 T CB -0.728 68.059 68.868 -0.135 0.000 0.864 368 T HN 0.352 nan 8.240 nan 0.000 0.444 369 S N 0.834 116.225 115.700 -0.515 0.000 2.547 369 S HA 0.067 4.537 4.470 -0.000 0.000 0.235 369 S C 1.598 176.137 174.600 -0.103 0.000 0.980 369 S CA 0.355 58.303 58.200 -0.419 0.000 0.941 369 S CB -0.448 62.321 63.200 -0.719 0.000 0.763 369 S HN 0.666 nan 8.310 nan 0.000 0.532 370 K N -0.039 120.274 120.400 -0.145 0.000 2.455 370 K HA 0.256 4.576 4.320 -0.000 0.000 0.206 370 K C 0.448 176.924 176.600 -0.206 0.000 1.027 370 K CA 0.250 56.407 56.287 -0.216 0.000 1.113 370 K CB 0.673 33.029 32.500 -0.240 0.000 0.850 370 K HN 0.323 nan 8.250 nan 0.000 0.503 371 T N -0.479 114.043 114.554 -0.054 0.000 2.989 371 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 371 T C -0.041 174.668 174.700 0.015 0.000 0.981 371 T CA 0.025 62.039 62.100 -0.144 0.000 0.980 371 T CB 0.203 68.775 68.868 -0.493 0.000 1.133 371 T HN -0.097 nan 8.240 nan 0.000 0.489 372 F N 2.162 122.222 119.950 0.183 0.000 2.385 372 F HA 0.722 5.249 4.527 -0.001 0.000 0.336 372 F C 0.428 176.155 175.800 -0.121 0.000 1.100 372 F CA -1.246 56.783 58.000 0.050 0.000 1.116 372 F CB 0.930 39.901 39.000 -0.049 0.000 1.166 372 F HN 0.055 nan 8.300 nan 0.000 0.511 373 A N 3.006 125.856 122.820 0.049 0.000 2.520 373 A HA 0.668 4.987 4.320 -0.000 0.000 0.298 373 A C -2.295 175.314 177.584 0.042 0.000 1.051 373 A CA -0.619 51.267 52.037 -0.251 0.000 0.690 373 A CB 1.202 19.994 19.000 -0.346 0.000 1.281 373 A HN 0.687 nan 8.150 nan 0.000 0.402 374 Y N 0.795 121.019 120.300 -0.126 0.000 2.442 374 Y HA 0.713 5.262 4.550 -0.001 0.000 0.344 374 Y C -0.673 175.239 175.900 0.019 0.000 0.976 374 Y CA -0.639 57.441 58.100 -0.034 0.000 1.040 374 Y CB 2.144 40.553 38.460 -0.084 0.000 1.228 374 Y HN 0.520 nan 8.280 nan 0.000 0.451 375 T N 6.879 121.268 114.554 -0.276 0.000 2.770 375 T HA 0.202 4.552 4.350 -0.000 0.000 0.297 375 T C -0.547 173.831 174.700 -0.537 0.000 0.997 375 T CA -0.722 61.182 62.100 -0.326 0.000 0.949 375 T CB -0.166 68.725 68.868 0.040 0.000 0.941 375 T HN 0.675 nan 8.240 nan 0.000 0.457 376 N N 2.467 120.773 118.700 -0.658 0.000 2.514 376 N HA 0.078 4.818 4.740 -0.000 0.000 0.277 376 N C -0.005 175.437 175.510 -0.114 0.000 1.126 376 N CA -0.159 52.740 53.050 -0.250 0.000 0.978 376 N CB 0.679 39.125 38.487 -0.069 0.000 1.106 376 N HN 0.654 nan 8.380 nan 0.000 0.461 377 H N 1.320 120.471 119.070 0.135 0.000 2.785 377 H HA 0.166 4.722 4.556 0.000 0.000 0.268 377 H C -0.147 175.207 175.328 0.043 0.000 1.153 377 H CA -0.198 55.868 56.048 0.029 0.000 1.111 377 H CB 0.814 30.593 29.762 0.029 0.000 1.633 377 H HN 0.454 nan 8.280 nan 0.000 0.576 378 T N 0.540 115.240 114.554 0.242 0.000 2.927 378 T HA 0.356 4.706 4.350 -0.000 0.000 0.281 378 T C 1.482 176.287 174.700 0.176 0.000 0.998 378 T CA -0.493 61.707 62.100 0.168 0.000 1.019 378 T CB 2.232 71.187 68.868 0.146 0.000 1.061 378 T HN 0.088 nan 8.240 nan 0.000 0.518 379 L N -0.612 120.651 121.223 0.066 0.000 2.678 379 L HA 0.394 4.734 4.340 -0.000 0.000 0.211 379 L C 0.424 177.272 176.870 -0.037 0.000 1.043 379 L CA 0.165 55.019 54.840 0.024 0.000 0.881 379 L CB 0.239 42.294 42.059 -0.007 0.000 1.361 379 L HN 0.404 nan 8.230 nan 0.000 0.484 380 M N 0.497 120.077 119.600 -0.034 0.000 2.404 380 M HA 0.296 4.776 4.480 -0.000 0.000 0.338 380 M C -1.860 174.419 176.300 -0.037 0.000 1.150 380 M CA -1.671 53.603 55.300 -0.043 0.000 1.016 380 M CB 1.519 34.101 32.600 -0.031 0.000 1.672 380 M HN -0.293 nan 8.290 nan 0.000 0.448 381 P HA -0.130 nan 4.420 nan 0.000 0.223 381 P C 0.455 177.757 177.300 0.004 0.000 1.144 381 P CA 1.199 64.283 63.100 -0.027 0.000 0.783 381 P CB 0.210 31.888 31.700 -0.037 0.000 0.771 382 E N -0.395 119.803 120.200 -0.004 0.000 2.152 382 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 382 E C 2.036 178.630 176.600 -0.010 0.000 0.983 382 E CA 1.162 57.561 56.400 -0.001 0.000 0.818 382 E CB -1.021 28.677 29.700 -0.002 0.000 0.758 382 E HN 0.163 nan 8.360 nan 0.000 0.467 383 A N 0.445 123.261 122.820 -0.007 0.000 2.169 383 A HA 0.091 4.411 4.320 -0.000 0.000 0.212 383 A C 0.677 178.253 177.584 -0.015 0.000 1.153 383 A CA -0.062 51.968 52.037 -0.012 0.000 0.756 383 A CB -0.430 18.570 19.000 0.000 0.000 0.813 383 A HN 0.133 nan 8.150 nan 0.000 0.471 384 L N 1.450 122.678 121.223 0.008 0.000 2.540 384 L HA 0.016 4.356 4.340 -0.000 0.000 0.276 384 L C 0.359 177.199 176.870 -0.051 0.000 1.212 384 L CA -0.192 54.662 54.840 0.022 0.000 0.893 384 L CB 0.093 42.204 42.059 0.087 0.000 1.138 384 L HN 0.332 nan 8.230 nan 0.000 0.491 385 E N 4.186 124.330 120.200 -0.092 0.000 2.558 385 E HA 0.019 4.369 4.350 -0.000 0.000 0.255 385 E C -0.368 176.085 176.600 -0.245 0.000 0.968 385 E CA 0.608 56.881 56.400 -0.213 0.000 0.939 385 E CB 0.533 30.131 29.700 -0.170 0.000 0.921 385 E HN 0.434 nan 8.360 nan 0.000 0.477 386 R N 2.665 122.915 120.500 -0.417 0.000 2.795 386 R HA 0.474 4.814 4.340 -0.000 0.000 0.275 386 R C -1.205 174.777 176.300 -0.529 0.000 0.981 386 R CA -0.720 55.139 56.100 -0.402 0.000 0.917 386 R CB 1.514 31.585 30.300 -0.381 0.000 1.202 386 R HN 0.431 nan 8.270 nan 0.000 0.469 387 W N 0.722 121.945 121.300 -0.127 0.000 3.022 387 W HA 0.276 4.936 4.660 0.001 0.000 0.335 387 W C -0.734 175.734 176.519 -0.085 0.000 1.133 387 W CA -0.658 56.640 57.345 -0.079 0.000 1.219 387 W CB 1.686 31.115 29.460 -0.053 0.000 1.409 387 W HN 0.347 nan 8.180 nan 0.000 0.507 388 D N 1.316 121.840 120.400 0.206 0.000 2.414 388 D HA 0.013 4.653 4.640 -0.000 0.000 0.242 388 D C 1.391 177.744 176.300 0.089 0.000 1.129 388 D CA 0.070 54.126 54.000 0.093 0.000 0.885 388 D CB 1.559 42.406 40.800 0.078 0.000 1.198 388 D HN 0.317 nan 8.370 nan 0.000 0.437 389 V N 1.715 121.660 119.914 0.051 0.000 2.490 389 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 389 V C 2.049 178.158 176.094 0.025 0.000 1.061 389 V CA 1.818 64.142 62.300 0.040 0.000 1.064 389 V CB -0.551 31.294 31.823 0.036 0.000 0.670 389 V HN 0.535 nan 8.190 nan 0.000 0.461 390 K N 0.203 120.619 120.400 0.027 0.000 2.020 390 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 390 K C 2.215 178.823 176.600 0.013 0.000 1.050 390 K CA 2.416 58.715 56.287 0.020 0.000 0.929 390 K CB -0.488 32.026 32.500 0.025 0.000 0.714 390 K HN 0.559 nan 8.250 nan 0.000 0.443 391 L N 0.548 121.786 121.223 0.026 0.000 1.970 391 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 391 L C 2.252 179.087 176.870 -0.058 0.000 1.071 391 L CA 1.548 56.389 54.840 0.001 0.000 0.751 391 L CB -0.267 41.821 42.059 0.049 0.000 0.889 391 L HN 0.134 nan 8.230 nan 0.000 0.432 392 V N -0.455 119.427 119.914 -0.054 0.000 2.594 392 V HA -0.305 3.814 4.120 -0.000 0.000 0.253 392 V C 2.381 178.417 176.094 -0.097 0.000 1.069 392 V CA 2.020 64.253 62.300 -0.111 0.000 1.082 392 V CB -0.760 31.021 31.823 -0.070 0.000 0.680 392 V HN 0.470 nan 8.190 nan 0.000 0.469 393 K N 0.552 120.921 120.400 -0.051 0.000 2.167 393 K HA -0.043 4.276 4.320 -0.000 0.000 0.203 393 K C 2.095 178.668 176.600 -0.046 0.000 1.052 393 K CA 1.286 57.545 56.287 -0.047 0.000 0.956 393 K CB -0.270 32.220 32.500 -0.018 0.000 0.735 393 K HN 0.481 nan 8.250 nan 0.000 0.451 394 G N 1.211 109.991 108.800 -0.033 0.000 2.459 394 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.213 394 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.213 394 G C 1.352 176.245 174.900 -0.011 0.000 1.155 394 G CA -0.124 44.970 45.100 -0.009 0.000 0.811 394 G HN 0.151 nan 8.290 nan 0.000 0.534 395 L N -0.126 121.064 121.223 -0.055 0.000 2.023 395 L HA 0.202 4.542 4.340 -0.000 0.000 0.205 395 L C 0.323 177.133 176.870 -0.099 0.000 1.073 395 L CA 1.230 56.031 54.840 -0.064 0.000 0.745 395 L CB -0.265 41.717 42.059 -0.129 0.000 0.900 395 L HN 0.041 nan 8.230 nan 0.000 0.435 396 L N 0.816 121.907 121.223 -0.220 0.000 2.502 396 L HA 0.295 4.634 4.340 -0.000 0.000 0.247 396 L C -1.618 175.059 176.870 -0.321 0.000 1.180 396 L CA -1.672 52.953 54.840 -0.358 0.000 0.956 396 L CB 0.038 41.751 42.059 -0.577 0.000 1.282 396 L HN -0.076 nan 8.230 nan 0.000 0.470 397 P HA -0.180 nan 4.420 nan 0.000 0.214 397 P C 1.729 178.848 177.300 -0.300 0.000 1.163 397 P CA 1.187 64.153 63.100 -0.224 0.000 0.889 397 P CB 0.415 32.046 31.700 -0.116 0.000 0.790 398 R N -0.815 119.344 120.500 -0.569 0.000 2.092 398 R HA -0.143 4.196 4.340 -0.000 0.000 0.231 398 R C 2.353 178.425 176.300 -0.381 0.000 1.119 398 R CA 1.635 57.455 56.100 -0.467 0.000 0.970 398 R CB -1.434 28.483 30.300 -0.638 0.000 0.864 398 R HN 0.332 nan 8.270 nan 0.000 0.440 399 H N -0.688 118.138 119.070 -0.406 0.000 2.422 399 H HA -0.127 4.429 4.556 -0.001 0.000 0.298 399 H C 1.822 177.079 175.328 -0.119 0.000 1.098 399 H CA 1.818 57.728 56.048 -0.230 0.000 1.315 399 H CB -0.086 29.503 29.762 -0.288 0.000 1.382 399 H HN 0.221 nan 8.280 nan 0.000 0.523 400 M N 1.377 120.960 119.600 -0.027 0.000 2.159 400 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 400 M C 2.131 178.434 176.300 0.005 0.000 1.063 400 M CA 1.462 56.757 55.300 -0.009 0.000 1.110 400 M CB -0.066 32.514 32.600 -0.034 0.000 1.374 400 M HN 0.194 nan 8.290 nan 0.000 0.411 401 Q N -0.445 119.343 119.800 -0.019 0.000 1.990 401 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 401 Q C 2.095 178.116 176.000 0.035 0.000 0.980 401 Q CA 2.039 57.840 55.803 -0.004 0.000 0.832 401 Q CB -0.444 28.285 28.738 -0.015 0.000 0.897 401 Q HN 0.495 nan 8.270 nan 0.000 0.427 402 I N 0.830 121.456 120.570 0.093 0.000 2.113 402 I HA -0.342 3.828 4.170 -0.000 0.000 0.242 402 I C 2.312 178.581 176.117 0.254 0.000 1.064 402 I CA 1.390 62.848 61.300 0.263 0.000 1.320 402 I CB -0.383 37.788 38.000 0.285 0.000 1.028 402 I HN 0.206 nan 8.210 nan 0.000 0.406 403 I N 0.546 121.220 120.570 0.174 0.000 2.151 403 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 403 I C 2.316 178.505 176.117 0.119 0.000 1.080 403 I CA 1.407 62.800 61.300 0.156 0.000 1.339 403 I CB -0.551 37.516 38.000 0.112 0.000 1.039 403 I HN 0.335 nan 8.210 nan 0.000 0.409 404 N N 0.445 119.189 118.700 0.072 0.000 2.120 404 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 404 N C 1.816 177.322 175.510 -0.008 0.000 1.024 404 N CA 1.319 54.399 53.050 0.050 0.000 0.852 404 N CB -0.282 38.220 38.487 0.025 0.000 1.003 404 N HN 0.329 nan 8.380 nan 0.000 0.424 405 E N 1.184 121.325 120.200 -0.098 0.000 2.058 405 E HA -0.092 4.257 4.350 -0.000 0.000 0.194 405 E C 1.942 178.316 176.600 -0.376 0.000 0.997 405 E CA 1.074 57.261 56.400 -0.356 0.000 0.801 405 E CB -0.383 28.945 29.700 -0.620 0.000 0.746 405 E HN 0.378 nan 8.360 nan 0.000 0.450 406 I N 0.639 121.157 120.570 -0.085 0.000 2.264 406 I HA -0.258 3.911 4.170 -0.000 0.000 0.248 406 I C 2.269 178.450 176.117 0.107 0.000 1.111 406 I CA 1.313 62.646 61.300 0.054 0.000 1.382 406 I CB -0.436 37.707 38.000 0.238 0.000 1.060 406 I HN 0.182 nan 8.210 nan 0.000 0.418 407 N N 0.335 119.127 118.700 0.153 0.000 2.106 407 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 407 N C 2.021 177.713 175.510 0.303 0.000 1.029 407 N CA 2.099 55.328 53.050 0.298 0.000 0.848 407 N CB -0.228 38.423 38.487 0.273 0.000 1.007 407 N HN 0.439 nan 8.380 nan 0.000 0.423 408 T N -0.802 113.813 114.554 0.103 0.000 2.821 408 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 408 T C 1.825 176.505 174.700 -0.033 0.000 1.046 408 T CA 0.633 62.743 62.100 0.017 0.000 1.139 408 T CB -0.144 68.688 68.868 -0.060 0.000 0.871 408 T HN 0.089 nan 8.240 nan 0.000 0.454 409 R N 0.052 120.510 120.500 -0.070 0.000 2.081 409 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 409 R C 2.137 178.498 176.300 0.102 0.000 1.131 409 R CA 1.115 57.177 56.100 -0.065 0.000 0.960 409 R CB -1.385 28.811 30.300 -0.174 0.000 0.856 409 R HN 0.510 nan 8.270 nan 0.000 0.436 410 F N 2.570 122.572 119.950 0.085 0.000 2.171 410 F HA -0.129 4.397 4.527 -0.002 0.000 0.300 410 F C 2.407 178.314 175.800 0.178 0.000 1.090 410 F CA 1.291 59.438 58.000 0.245 0.000 1.293 410 F CB -0.162 39.081 39.000 0.406 0.000 1.013 410 F HN -0.096 nan 8.300 nan 0.000 0.486 411 K N -0.435 119.893 120.400 -0.120 0.000 2.063 411 K HA -0.173 4.146 4.320 -0.000 0.000 0.208 411 K C 1.996 178.296 176.600 -0.500 0.000 1.048 411 K CA 1.977 57.769 56.287 -0.825 0.000 0.928 411 K CB -0.414 31.442 32.500 -1.072 0.000 0.713 411 K HN 0.229 nan 8.250 nan 0.000 0.442 412 T N 1.779 116.169 114.554 -0.273 0.000 2.624 412 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 412 T C 1.710 176.314 174.700 -0.160 0.000 1.041 412 T CA 1.741 63.730 62.100 -0.185 0.000 1.159 412 T CB -0.305 68.500 68.868 -0.105 0.000 0.863 412 T HN 0.198 nan 8.240 nan 0.000 0.434 413 L N 0.904 122.050 121.223 -0.129 0.000 2.017 413 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 413 L C 2.501 179.281 176.870 -0.150 0.000 1.073 413 L CA 1.400 56.183 54.840 -0.095 0.000 0.745 413 L CB -0.531 41.539 42.059 0.019 0.000 0.894 413 L HN 0.100 nan 8.230 nan 0.000 0.432 414 V N -0.324 119.429 119.914 -0.268 0.000 2.231 414 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 414 V C 2.374 178.508 176.094 0.067 0.000 1.054 414 V CA 2.300 64.590 62.300 -0.016 0.000 1.015 414 V CB -0.819 30.933 31.823 -0.119 0.000 0.638 414 V HN 0.500 nan 8.190 nan 0.000 0.444 415 E N 0.139 120.266 120.200 -0.120 0.000 2.333 415 E HA -0.247 4.102 4.350 -0.000 0.000 0.198 415 E C 2.141 178.690 176.600 -0.084 0.000 1.007 415 E CA 1.253 57.588 56.400 -0.108 0.000 0.845 415 E CB -0.099 29.481 29.700 -0.199 0.000 0.766 415 E HN 0.784 nan 8.360 nan 0.000 0.507 416 K N -0.430 119.908 120.400 -0.103 0.000 2.314 416 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 416 K C 1.752 178.252 176.600 -0.166 0.000 1.045 416 K CA 0.952 57.171 56.287 -0.113 0.000 0.988 416 K CB 0.259 32.699 32.500 -0.101 0.000 0.783 416 K HN -0.162 nan 8.250 nan 0.000 0.484 417 T N 0.176 114.590 114.554 -0.233 0.000 2.837 417 T HA 0.035 4.385 4.350 -0.000 0.000 0.248 417 T C -0.100 174.316 174.700 -0.473 0.000 1.033 417 T CA 0.438 62.226 62.100 -0.520 0.000 1.150 417 T CB 0.014 68.259 68.868 -1.038 0.000 0.865 417 T HN 0.293 nan 8.240 nan 0.000 0.425 418 W N 2.174 123.409 121.300 -0.110 0.000 2.322 418 W HA 0.332 4.985 4.660 -0.011 0.000 0.321 418 W C -2.602 173.860 176.519 -0.095 0.000 0.991 418 W CA -2.298 54.994 57.345 -0.088 0.000 1.448 418 W CB 0.324 29.736 29.460 -0.079 0.000 1.239 418 W HN 0.265 nan 8.180 nan 0.000 0.399 419 P HA -0.058 nan 4.420 nan 0.000 0.222 419 P C 1.490 178.805 177.300 0.024 0.000 1.153 419 P CA 0.868 63.977 63.100 0.015 0.000 0.798 419 P CB 0.417 32.106 31.700 -0.018 0.000 0.796 420 G N 1.654 110.491 108.800 0.060 0.000 2.825 420 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.241 420 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.241 420 G C 0.173 175.092 174.900 0.032 0.000 1.239 420 G CA -0.241 44.886 45.100 0.046 0.000 0.859 420 G HN 0.223 nan 8.290 nan 0.000 0.598 421 D N -0.596 119.819 120.400 0.024 0.000 2.278 421 D HA -0.074 4.566 4.640 -0.000 0.000 0.240 421 D C 1.146 177.476 176.300 0.050 0.000 1.347 421 D CA 0.189 54.205 54.000 0.027 0.000 0.945 421 D CB 0.523 41.337 40.800 0.025 0.000 1.175 421 D HN 0.590 nan 8.370 nan 0.000 0.519 422 E N 0.278 120.525 120.200 0.079 0.000 2.063 422 E HA -0.333 4.017 4.350 -0.000 0.000 0.221 422 E C 1.506 178.135 176.600 0.049 0.000 1.052 422 E CA 1.889 58.366 56.400 0.129 0.000 0.891 422 E CB 0.043 29.819 29.700 0.127 0.000 0.792 422 E HN 0.328 nan 8.360 nan 0.000 0.482 423 K N -0.689 119.706 120.400 -0.007 0.000 2.203 423 K HA -0.340 3.980 4.320 -0.000 0.000 0.206 423 K C 1.983 178.501 176.600 -0.137 0.000 0.722 423 K CA 2.162 58.408 56.287 -0.069 0.000 1.026 423 K CB -1.597 30.869 32.500 -0.057 0.000 0.713 423 K HN 0.229 nan 8.250 nan 0.000 0.773 424 V N 0.696 120.506 119.914 -0.175 0.000 2.231 424 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 424 V C 2.274 178.212 176.094 -0.260 0.000 1.054 424 V CA 2.469 64.572 62.300 -0.328 0.000 1.015 424 V CB -0.624 30.861 31.823 -0.563 0.000 0.638 424 V HN 0.537 nan 8.190 nan 0.000 0.444 425 W N 0.684 121.803 121.300 -0.303 0.000 2.321 425 W HA -0.305 4.353 4.660 -0.003 0.000 0.306 425 W C 2.338 178.692 176.519 -0.274 0.000 1.217 425 W CA 1.924 59.128 57.345 -0.235 0.000 1.257 425 W CB -0.171 29.201 29.460 -0.147 0.000 1.145 425 W HN 0.326 nan 8.180 nan 0.000 0.509 426 A N 0.400 122.918 122.820 -0.503 0.000 2.015 426 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 426 A C 1.999 179.147 177.584 -0.727 0.000 1.163 426 A CA 1.795 53.264 52.037 -0.947 0.000 0.646 426 A CB -0.786 17.784 19.000 -0.718 0.000 0.806 426 A HN 0.401 nan 8.150 nan 0.000 0.448 427 K N -0.363 119.758 120.400 -0.465 0.000 2.062 427 K HA 0.086 4.405 4.320 -0.000 0.000 0.205 427 K C 1.408 177.798 176.600 -0.351 0.000 1.051 427 K CA 0.929 57.005 56.287 -0.352 0.000 0.941 427 K CB -0.166 32.168 32.500 -0.278 0.000 0.719 427 K HN 0.455 nan 8.250 nan 0.000 0.440 428 L N 0.830 121.809 121.223 -0.406 0.000 2.591 428 L HA 0.180 4.520 4.340 -0.000 0.000 0.228 428 L C 0.500 177.278 176.870 -0.153 0.000 1.133 428 L CA -0.376 54.327 54.840 -0.228 0.000 0.880 428 L CB 0.240 42.202 42.059 -0.163 0.000 1.033 428 L HN 0.108 nan 8.230 nan 0.000 0.450 429 A N -0.260 122.128 122.820 -0.721 0.000 2.309 429 A HA 0.369 4.689 4.320 -0.000 0.000 0.298 429 A C 1.184 178.613 177.584 -0.260 0.000 1.165 429 A CA -0.408 51.181 52.037 -0.746 0.000 0.821 429 A CB 1.248 19.399 19.000 -1.415 0.000 1.102 429 A HN -0.052 nan 8.150 nan 0.000 0.500 430 V N 2.483 122.399 119.914 0.004 0.000 2.233 430 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 430 V C 0.945 177.186 176.094 0.246 0.000 1.050 430 V CA 1.777 64.151 62.300 0.124 0.000 1.010 430 V CB -0.468 31.443 31.823 0.147 0.000 0.637 430 V HN 0.582 nan 8.190 nan 0.000 0.444 431 V N 0.578 120.620 119.914 0.213 0.000 2.347 431 V HA 0.580 4.700 4.120 -0.000 0.000 0.280 431 V C -0.619 175.625 176.094 0.250 0.000 1.021 431 V CA -0.375 62.067 62.300 0.237 0.000 0.847 431 V CB 0.900 32.832 31.823 0.182 0.000 0.990 431 V HN 0.698 nan 8.190 nan 0.000 0.444 432 H N 2.515 121.685 119.070 0.166 0.000 3.121 432 H HA 0.417 4.974 4.556 0.002 0.000 0.337 432 H C -0.610 174.812 175.328 0.157 0.000 1.198 432 H CA 0.006 56.106 56.048 0.087 0.000 1.274 432 H CB 1.579 31.270 29.762 -0.119 0.000 1.954 432 H HN 0.756 nan 8.280 nan 0.000 0.531 438 Q N 0.755 120.562 119.800 0.011 0.000 2.389 438 Q HA 0.467 4.806 4.340 -0.000 0.000 0.277 438 Q C -1.091 174.880 176.000 -0.047 0.000 1.082 438 Q CA -0.988 54.782 55.803 -0.056 0.000 0.810 438 Q CB 3.443 32.067 28.738 -0.189 0.000 1.374 438 Q HN -0.092 nan 8.270 nan 0.000 0.422 439 V N 2.410 122.291 119.914 -0.055 0.000 2.370 439 V HA 0.240 4.359 4.120 -0.000 0.000 0.279 439 V C -0.480 175.570 176.094 -0.073 0.000 1.029 439 V CA -0.597 61.726 62.300 0.039 0.000 0.870 439 V CB 0.846 32.738 31.823 0.115 0.000 0.984 439 V HN 0.678 nan 8.190 nan 0.000 0.451 440 H N 6.432 125.538 119.070 0.059 0.000 2.741 440 H HA 0.233 4.790 4.556 0.001 0.000 0.282 440 H C 0.428 175.760 175.328 0.008 0.000 1.122 440 H CA -0.836 55.230 56.048 0.030 0.000 1.293 440 H CB 1.409 31.193 29.762 0.037 0.000 1.415 440 H HN 0.512 nan 8.280 nan 0.000 0.472 441 M N 1.970 121.606 119.600 0.061 0.000 2.080 441 M HA -0.139 4.340 4.480 -0.000 0.000 0.260 441 M C 2.538 178.763 176.300 -0.126 0.000 1.068 441 M CA 1.302 56.598 55.300 -0.008 0.000 1.109 441 M CB -1.186 31.426 32.600 0.020 0.000 1.342 441 M HN 0.690 nan 8.290 nan 0.000 0.405 442 A N 1.024 123.793 122.820 -0.085 0.000 1.869 442 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 442 A C 2.117 179.604 177.584 -0.163 0.000 1.203 442 A CA 2.390 54.366 52.037 -0.102 0.000 0.638 442 A CB -1.089 18.017 19.000 0.177 0.000 0.831 442 A HN 0.519 nan 8.150 nan 0.000 0.450 443 N N -0.398 118.285 118.700 -0.028 0.000 2.104 443 N HA -0.143 4.596 4.740 -0.000 0.000 0.190 443 N C 1.504 176.871 175.510 -0.237 0.000 1.024 443 N CA 1.455 54.429 53.050 -0.127 0.000 0.853 443 N CB -0.626 37.906 38.487 0.075 0.000 1.008 443 N HN 0.372 nan 8.380 nan 0.000 0.424 444 L N 0.784 121.928 121.223 -0.133 0.000 2.083 444 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 444 L C 2.050 178.783 176.870 -0.227 0.000 1.083 444 L CA 1.354 56.119 54.840 -0.125 0.000 0.752 444 L CB -0.895 41.133 42.059 -0.053 0.000 0.899 444 L HN 0.196 nan 8.230 nan 0.000 0.433 445 C N -2.118 116.974 119.300 -0.347 0.000 2.429 445 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 445 C C 2.744 177.508 174.990 -0.376 0.000 1.262 445 C CA 0.841 59.612 59.018 -0.411 0.000 1.733 445 C CB -0.796 26.476 27.740 -0.780 0.000 2.010 445 C HN 0.441 nan 8.230 nan 0.000 0.483 446 V N 0.597 120.211 119.914 -0.501 0.000 2.358 446 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 446 V C 2.369 178.088 176.094 -0.626 0.000 1.047 446 V CA 1.939 63.860 62.300 -0.633 0.000 1.035 446 V CB -0.547 30.661 31.823 -1.025 0.000 0.658 446 V HN 0.452 nan 8.190 nan 0.000 0.452 447 V N 0.682 120.297 119.914 -0.498 0.000 2.548 447 V HA -0.039 4.081 4.120 -0.000 0.000 0.249 447 V C 2.364 178.428 176.094 -0.051 0.000 1.055 447 V CA 1.919 64.017 62.300 -0.338 0.000 1.065 447 V CB -0.854 30.729 31.823 -0.401 0.000 0.681 447 V HN 0.603 nan 8.190 nan 0.000 0.462 448 G N -0.629 108.142 108.800 -0.048 0.000 2.887 448 G HA2 0.338 4.298 3.960 -0.000 0.000 0.211 448 G HA3 0.338 4.298 3.960 -0.000 0.000 0.211 448 G C 0.660 175.425 174.900 -0.225 0.000 1.152 448 G CA 0.626 45.708 45.100 -0.031 0.000 0.769 448 G HN 0.611 nan 8.290 nan 0.000 0.541 449 G N -0.449 108.223 108.800 -0.214 0.000 2.521 449 G HA2 0.451 4.410 3.960 -0.000 0.000 0.323 449 G HA3 0.451 4.410 3.960 -0.000 0.000 0.323 449 G C 0.255 175.051 174.900 -0.173 0.000 1.211 449 G CA -0.647 44.367 45.100 -0.143 0.000 0.979 449 G HN 0.257 nan 8.290 nan 0.000 0.490 450 F N -1.278 118.582 119.950 -0.149 0.000 2.721 450 F HA 0.725 5.252 4.527 -0.000 0.000 0.301 450 F C 0.509 176.235 175.800 -0.123 0.000 1.096 450 F CA -0.448 57.457 58.000 -0.158 0.000 1.308 450 F CB 0.292 39.241 39.000 -0.086 0.000 1.086 450 F HN 0.546 nan 8.300 nan 0.000 0.587 451 A N 0.506 122.893 122.820 -0.723 0.000 2.520 451 A HA 0.750 5.070 4.320 -0.000 0.000 0.298 451 A C -1.649 175.682 177.584 -0.422 0.000 1.051 451 A CA -0.650 51.090 52.037 -0.495 0.000 0.690 451 A CB 1.533 20.164 19.000 -0.615 0.000 1.281 451 A HN 0.057 nan 8.150 nan 0.000 0.402 452 V N 3.451 123.117 119.914 -0.413 0.000 2.709 452 V HA 0.634 4.754 4.120 -0.000 0.000 0.308 452 V C -0.631 175.361 176.094 -0.170 0.000 1.062 452 V CA -0.675 61.404 62.300 -0.369 0.000 0.901 452 V CB 2.001 33.511 31.823 -0.522 0.000 1.003 452 V HN 1.106 nan 8.190 nan 0.000 0.425 453 N N 2.264 120.880 118.700 -0.140 0.000 2.647 453 N HA 0.670 5.409 4.740 -0.000 0.000 0.266 453 N C -0.520 174.962 175.510 -0.046 0.000 1.373 453 N CA -0.388 52.639 53.050 -0.038 0.000 0.807 453 N CB 2.767 41.223 38.487 -0.052 0.000 1.513 453 N HN 0.711 nan 8.380 nan 0.000 0.505 454 G N -1.111 107.697 108.800 0.014 0.000 2.667 454 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 454 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 454 G C 0.483 175.460 174.900 0.127 0.000 1.259 454 G CA -0.447 44.745 45.100 0.154 0.000 1.019 454 G HN 0.691 nan 8.290 nan 0.000 0.496 455 V N -3.825 116.194 119.914 0.176 0.000 3.319 455 V HA 0.705 4.825 4.120 -0.000 0.000 0.317 455 V C 0.447 176.583 176.094 0.071 0.000 1.411 455 V CA 0.301 62.633 62.300 0.054 0.000 1.112 455 V CB -0.508 31.298 31.823 -0.028 0.000 1.031 455 V HN 1.476 nan 8.190 nan 0.000 0.448 456 A N -0.656 122.243 122.820 0.132 0.000 2.565 456 A HA 0.846 5.166 4.320 -0.000 0.000 0.298 456 A C 0.779 178.425 177.584 0.104 0.000 1.062 456 A CA 0.037 52.137 52.037 0.105 0.000 0.723 456 A CB 1.020 20.067 19.000 0.079 0.000 1.282 456 A HN 1.023 nan 8.150 nan 0.000 0.400 457 A N 1.272 124.129 122.820 0.063 0.000 1.870 457 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 457 A C 1.917 179.515 177.584 0.023 0.000 1.224 457 A CA 2.227 54.283 52.037 0.033 0.000 0.650 457 A CB -1.162 17.852 19.000 0.024 0.000 0.836 457 A HN 1.132 nan 8.150 nan 0.000 0.454 458 L N -1.743 119.499 121.223 0.032 0.000 2.043 458 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 458 L C 2.705 179.582 176.870 0.012 0.000 1.075 458 L CA 2.111 56.960 54.840 0.014 0.000 0.752 458 L CB -0.730 41.341 42.059 0.019 0.000 0.891 458 L HN 0.793 nan 8.230 nan 0.000 0.432 459 H N -0.439 118.612 119.070 -0.031 0.000 2.353 459 H HA -0.135 4.422 4.556 0.002 0.000 0.300 459 H C 2.287 177.590 175.328 -0.041 0.000 1.090 459 H CA 1.928 57.952 56.048 -0.039 0.000 1.327 459 H CB 0.048 29.790 29.762 -0.032 0.000 1.383 459 H HN 0.172 nan 8.280 nan 0.000 0.508 460 S N 0.186 115.784 115.700 -0.171 0.000 2.402 460 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 460 S C 1.586 176.082 174.600 -0.172 0.000 1.021 460 S CA 1.014 59.104 58.200 -0.183 0.000 0.974 460 S CB -0.113 63.063 63.200 -0.039 0.000 0.800 460 S HN 0.523 nan 8.310 nan 0.000 0.484 461 D N 1.969 122.294 120.400 -0.126 0.000 2.104 461 D HA -0.104 4.536 4.640 -0.000 0.000 0.194 461 D C 1.841 178.043 176.300 -0.164 0.000 0.994 461 D CA 1.071 54.995 54.000 -0.125 0.000 0.830 461 D CB -0.399 40.356 40.800 -0.076 0.000 0.959 461 D HN 0.481 nan 8.370 nan 0.000 0.452 462 L N -1.351 119.767 121.223 -0.175 0.000 2.599 462 L HA 0.105 4.445 4.340 -0.000 0.000 0.230 462 L C 1.740 178.457 176.870 -0.255 0.000 1.141 462 L CA 0.582 55.313 54.840 -0.182 0.000 0.877 462 L CB -0.275 41.702 42.059 -0.137 0.000 1.009 462 L HN -0.218 nan 8.230 nan 0.000 0.447 463 V N -1.011 118.714 119.914 -0.315 0.000 2.548 463 V HA -0.117 4.002 4.120 -0.000 0.000 0.249 463 V C 2.323 178.284 176.094 -0.222 0.000 1.055 463 V CA 1.494 63.617 62.300 -0.295 0.000 1.065 463 V CB 0.442 32.120 31.823 -0.241 0.000 0.681 463 V HN 0.418 nan 8.190 nan 0.000 0.462 464 V N -1.123 118.633 119.914 -0.264 0.000 2.795 464 V HA -0.024 4.096 4.120 -0.000 0.000 0.243 464 V C 2.241 178.185 176.094 -0.249 0.000 1.069 464 V CA 1.321 63.390 62.300 -0.385 0.000 1.089 464 V CB 0.110 31.541 31.823 -0.654 0.000 0.756 464 V HN 0.448 nan 8.190 nan 0.000 0.471 465 K N -0.170 120.115 120.400 -0.193 0.000 2.021 465 K HA -0.093 4.226 4.320 -0.000 0.000 0.205 465 K C 1.706 178.235 176.600 -0.118 0.000 1.047 465 K CA 1.717 57.932 56.287 -0.120 0.000 0.943 465 K CB -0.073 32.370 32.500 -0.095 0.000 0.725 465 K HN 0.356 nan 8.250 nan 0.000 0.439 466 D N 0.004 120.314 120.400 -0.149 0.000 2.277 466 D HA 0.018 4.658 4.640 -0.000 0.000 0.209 466 D C 1.782 177.962 176.300 -0.200 0.000 0.970 466 D CA 0.710 54.621 54.000 -0.148 0.000 0.874 466 D CB 0.310 41.029 40.800 -0.135 0.000 0.982 466 D HN 0.070 nan 8.370 nan 0.000 0.504 467 L N -1.055 119.982 121.223 -0.309 0.000 2.269 467 L HA 0.116 4.456 4.340 -0.000 0.000 0.200 467 L C 0.197 176.743 176.870 -0.540 0.000 1.069 467 L CA 0.625 55.141 54.840 -0.540 0.000 0.804 467 L CB 0.321 41.858 42.059 -0.871 0.000 0.987 467 L HN -0.107 nan 8.230 nan 0.000 0.468 468 F N -1.253 118.729 119.950 0.053 0.000 2.577 468 F HA 0.336 4.863 4.527 -0.001 0.000 0.342 468 F C -1.894 173.911 175.800 0.009 0.000 1.479 468 F CA -2.315 55.786 58.000 0.167 0.000 1.110 468 F CB -0.419 38.812 39.000 0.386 0.000 1.306 468 F HN -0.181 nan 8.300 nan 0.000 0.554 469 P HA -0.238 nan 4.420 nan 0.000 0.213 469 P C 1.586 178.962 177.300 0.126 0.000 1.176 469 P CA 2.048 65.185 63.100 0.062 0.000 0.919 469 P CB 0.216 31.922 31.700 0.011 0.000 0.791 470 E N -1.602 118.633 120.200 0.059 0.000 2.347 470 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 470 E C 1.829 178.514 176.600 0.142 0.000 1.008 470 E CA 1.087 57.539 56.400 0.087 0.000 0.852 470 E CB -1.157 28.415 29.700 -0.215 0.000 0.783 470 E HN 0.322 nan 8.360 nan 0.000 0.505 471 Y N 1.279 121.741 120.300 0.271 0.000 2.263 471 Y HA -0.130 4.421 4.550 0.002 0.000 0.292 471 Y C 2.570 178.743 175.900 0.455 0.000 1.130 471 Y CA 1.328 59.686 58.100 0.430 0.000 1.179 471 Y CB -0.692 38.178 38.460 0.684 0.000 0.998 471 Y HN 0.315 nan 8.280 nan 0.000 0.532 472 H N -0.039 119.150 119.070 0.199 0.000 2.353 472 H HA -0.227 4.326 4.556 -0.005 0.000 0.300 472 H C 2.235 177.651 175.328 0.148 0.000 1.090 472 H CA 1.677 57.722 56.048 -0.005 0.000 1.327 472 H CB 0.149 29.735 29.762 -0.294 0.000 1.383 472 H HN 0.449 nan 8.280 nan 0.000 0.508 473 Q N 0.552 120.383 119.800 0.052 0.000 2.020 473 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 473 Q C 2.653 178.605 176.000 -0.081 0.000 0.982 473 Q CA 1.624 57.403 55.803 -0.040 0.000 0.838 473 Q CB 0.047 28.846 28.738 0.102 0.000 0.899 473 Q HN 0.491 nan 8.270 nan 0.000 0.423 474 L N -0.423 120.727 121.223 -0.122 0.000 1.971 474 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 474 L C 0.901 177.568 176.870 -0.338 0.000 1.072 474 L CA 1.017 55.587 54.840 -0.450 0.000 0.758 474 L CB -0.432 40.981 42.059 -1.077 0.000 0.889 474 L HN 0.395 nan 8.230 nan 0.000 0.433 475 W N -0.641 120.842 121.300 0.306 0.000 2.286 475 W HA 0.320 4.982 4.660 0.003 0.000 0.296 475 W C -2.078 174.618 176.519 0.295 0.000 0.911 475 W CA -1.964 55.543 57.345 0.269 0.000 1.761 475 W CB -0.516 29.121 29.460 0.294 0.000 1.820 475 W HN 0.019 nan 8.180 nan 0.000 0.403 476 P HA -0.193 nan 4.420 nan 0.000 0.217 476 P C 1.277 178.760 177.300 0.305 0.000 1.148 476 P CA 1.787 64.983 63.100 0.159 0.000 0.828 476 P CB 0.398 32.073 31.700 -0.041 0.000 0.783 477 N N -1.059 117.799 118.700 0.262 0.000 2.467 477 N HA -0.036 4.704 4.740 -0.000 0.000 0.184 477 N C 1.465 177.029 175.510 0.090 0.000 1.106 477 N CA 0.445 53.605 53.050 0.183 0.000 0.892 477 N CB -0.380 38.214 38.487 0.179 0.000 0.969 477 N HN 0.213 nan 8.380 nan 0.000 0.454 478 K N -0.144 120.367 120.400 0.185 0.000 2.103 478 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 478 K C -0.404 175.934 176.600 -0.436 0.000 1.048 478 K CA 0.866 57.111 56.287 -0.069 0.000 0.930 478 K CB 0.047 32.490 32.500 -0.095 0.000 0.716 478 K HN -0.046 nan 8.250 nan 0.000 0.444 479 F N 1.194 121.016 119.950 -0.213 0.000 2.410 479 F HA 0.294 4.825 4.527 0.008 0.000 0.349 479 F C 0.685 176.186 175.800 -0.499 0.000 1.117 479 F CA -0.682 57.171 58.000 -0.245 0.000 1.104 479 F CB 0.997 39.972 39.000 -0.041 0.000 1.122 479 F HN 0.017 nan 8.300 nan 0.000 0.483 480 H N 1.266 120.387 119.070 0.084 0.000 2.927 480 H HA 0.423 4.980 4.556 0.002 0.000 0.316 480 H C -1.009 174.297 175.328 -0.038 0.000 1.403 480 H CA -1.055 54.994 56.048 0.002 0.000 1.288 480 H CB 2.215 31.930 29.762 -0.079 0.000 1.944 480 H HN 0.509 nan 8.280 nan 0.000 0.629 481 N N 0.370 119.108 118.700 0.063 0.000 2.336 481 N HA 0.295 5.035 4.740 -0.000 0.000 0.290 481 N C -1.986 173.443 175.510 -0.135 0.000 1.058 481 N CA -0.275 52.761 53.050 -0.023 0.000 0.865 481 N CB 2.525 41.008 38.487 -0.006 0.000 1.581 481 N HN 0.207 nan 8.380 nan 0.000 0.480 482 V N 2.398 122.192 119.914 -0.199 0.000 2.488 482 V HA 0.258 4.378 4.120 -0.000 0.000 0.293 482 V C -0.035 175.994 176.094 -0.109 0.000 1.027 482 V CA -0.639 61.459 62.300 -0.338 0.000 0.862 482 V CB 1.370 32.619 31.823 -0.957 0.000 1.008 482 V HN 0.668 nan 8.190 nan 0.000 0.428 483 T N 4.669 119.209 114.554 -0.023 0.000 2.853 483 T HA 0.156 4.506 4.350 -0.000 0.000 0.298 483 T C 0.625 175.436 174.700 0.185 0.000 0.978 483 T CA -0.129 62.026 62.100 0.092 0.000 1.152 483 T CB 0.091 69.037 68.868 0.129 0.000 0.914 483 T HN 0.612 nan 8.240 nan 0.000 0.539 484 N N 1.344 120.178 118.700 0.222 0.000 2.202 484 N HA 0.333 5.073 4.740 -0.000 0.000 0.218 484 N C 0.546 176.254 175.510 0.331 0.000 1.328 484 N CA 0.358 53.593 53.050 0.309 0.000 0.884 484 N CB 0.264 38.846 38.487 0.157 0.000 1.106 484 N HN 0.882 nan 8.380 nan 0.000 0.439 485 G N -1.395 107.623 108.800 0.364 0.000 2.684 485 G HA2 0.620 4.580 3.960 -0.000 0.000 0.290 485 G HA3 0.620 4.580 3.960 -0.000 0.000 0.290 485 G C -1.160 173.869 174.900 0.214 0.000 1.425 485 G CA -0.639 44.659 45.100 0.329 0.000 0.822 485 G HN 0.573 nan 8.290 nan 0.000 0.482 486 I N -2.105 118.585 120.570 0.201 0.000 2.892 486 I HA 0.872 5.041 4.170 -0.000 0.000 0.306 486 I C -0.229 176.070 176.117 0.302 0.000 1.078 486 I CA -0.970 60.440 61.300 0.184 0.000 1.032 486 I CB 2.461 40.472 38.000 0.018 0.000 1.229 486 I HN 0.499 nan 8.210 nan 0.000 0.435 487 T N 2.792 117.613 114.554 0.445 0.000 2.824 487 T HA 0.587 4.936 4.350 -0.000 0.000 0.280 487 T C -2.062 172.791 174.700 0.255 0.000 0.995 487 T CA -1.941 60.327 62.100 0.280 0.000 1.009 487 T CB 1.532 70.502 68.868 0.170 0.000 0.955 487 T HN 0.563 nan 8.240 nan 0.000 0.452 488 P HA 0.077 nan 4.420 nan 0.000 0.221 488 P C 1.296 178.632 177.300 0.060 0.000 1.150 488 P CA 0.479 63.685 63.100 0.177 0.000 0.800 488 P CB 0.276 32.071 31.700 0.158 0.000 0.787 489 R N -0.227 120.204 120.500 -0.115 0.000 2.082 489 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 489 R C 2.544 178.743 176.300 -0.168 0.000 1.140 489 R CA 1.673 57.645 56.100 -0.213 0.000 0.920 489 R CB -0.987 29.173 30.300 -0.233 0.000 0.828 489 R HN 0.050 nan 8.270 nan 0.000 0.430 490 R N -0.874 119.467 120.500 -0.265 0.000 2.093 490 R HA -0.092 4.247 4.340 -0.000 0.000 0.224 490 R C 1.588 177.586 176.300 -0.504 0.000 1.101 490 R CA 1.434 57.245 56.100 -0.482 0.000 0.979 490 R CB -0.138 29.723 30.300 -0.731 0.000 0.877 490 R HN 0.305 nan 8.270 nan 0.000 0.441 491 W N -0.270 121.037 121.300 0.011 0.000 2.863 491 W HA 0.219 4.879 4.660 0.000 0.000 0.258 491 W C 1.493 178.038 176.519 0.044 0.000 1.298 491 W CA -0.292 57.068 57.345 0.024 0.000 1.451 491 W CB 0.314 29.792 29.460 0.031 0.000 1.107 491 W HN 0.051 nan 8.180 nan 0.000 0.641 492 I N -1.243 119.470 120.570 0.237 0.000 3.632 492 I HA -0.053 4.117 4.170 -0.000 0.000 0.246 492 I C 2.467 178.702 176.117 0.196 0.000 1.125 492 I CA -0.073 61.358 61.300 0.218 0.000 1.519 492 I CB -0.558 37.608 38.000 0.277 0.000 1.555 492 I HN -0.415 nan 8.210 nan 0.000 0.452 493 K N 1.173 121.722 120.400 0.248 0.000 2.034 493 K HA -0.285 4.034 4.320 -0.000 0.000 0.214 493 K C 2.048 178.653 176.600 0.009 0.000 1.051 493 K CA 2.108 58.489 56.287 0.156 0.000 0.931 493 K CB -0.227 32.239 32.500 -0.056 0.000 0.715 493 K HN 0.334 nan 8.250 nan 0.000 0.446 494 Q N -0.283 119.475 119.800 -0.071 0.000 2.061 494 Q HA -0.107 4.233 4.340 -0.000 0.000 0.195 494 Q C 2.510 178.439 176.000 -0.118 0.000 0.967 494 Q CA 1.737 57.458 55.803 -0.137 0.000 0.829 494 Q CB 0.000 28.622 28.738 -0.195 0.000 0.900 494 Q HN 0.552 nan 8.270 nan 0.000 0.450 495 C N -0.064 119.178 119.300 -0.096 0.000 2.446 495 C HA 0.166 4.626 4.460 -0.000 0.000 0.279 495 C C 1.141 176.119 174.990 -0.020 0.000 1.366 495 C CA -0.149 58.834 59.018 -0.058 0.000 1.763 495 C CB -0.772 26.965 27.740 -0.005 0.000 1.929 495 C HN 0.332 nan 8.230 nan 0.000 0.509 496 N N 1.658 120.362 118.700 0.006 0.000 2.904 496 N HA 0.312 5.052 4.740 -0.000 0.000 0.257 496 N C -1.534 173.981 175.510 0.008 0.000 1.363 496 N CA -2.044 51.006 53.050 0.001 0.000 0.856 496 N CB 0.919 39.411 38.487 0.009 0.000 1.166 496 N HN 0.301 nan 8.380 nan 0.000 0.499 497 P HA -0.063 nan 4.420 nan 0.000 0.217 497 P C 1.052 178.357 177.300 0.009 0.000 1.151 497 P CA 0.754 63.855 63.100 0.001 0.000 0.828 497 P CB 0.409 32.080 31.700 -0.049 0.000 0.788 498 A N 0.334 123.142 122.820 -0.020 0.000 1.908 498 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 498 A C 2.261 179.815 177.584 -0.050 0.000 1.181 498 A CA 1.771 53.786 52.037 -0.035 0.000 0.627 498 A CB -1.721 17.243 19.000 -0.059 0.000 0.818 498 A HN 0.235 nan 8.150 nan 0.000 0.445 499 L N -0.570 120.608 121.223 -0.075 0.000 2.141 499 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 499 L C 2.553 179.375 176.870 -0.080 0.000 1.094 499 L CA 1.998 56.766 54.840 -0.120 0.000 0.763 499 L CB -0.521 41.444 42.059 -0.155 0.000 0.908 499 L HN 0.316 nan 8.230 nan 0.000 0.437 500 A N -0.439 122.401 122.820 0.034 0.000 1.929 500 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 500 A C 2.456 180.198 177.584 0.263 0.000 1.176 500 A CA 1.424 53.612 52.037 0.252 0.000 0.628 500 A CB -1.056 18.229 19.000 0.474 0.000 0.816 500 A HN 0.549 nan 8.150 nan 0.000 0.444 501 A N -0.206 122.701 122.820 0.146 0.000 1.865 501 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 501 A C 2.117 179.761 177.584 0.100 0.000 1.191 501 A CA 1.796 53.907 52.037 0.122 0.000 0.623 501 A CB -0.751 18.287 19.000 0.064 0.000 0.826 501 A HN 0.739 nan 8.150 nan 0.000 0.444 502 L N -0.219 121.025 121.223 0.035 0.000 2.127 502 L HA -0.125 4.214 4.340 -0.000 0.000 0.211 502 L C 2.206 179.122 176.870 0.076 0.000 1.089 502 L CA 1.534 56.391 54.840 0.029 0.000 0.757 502 L CB -0.355 41.661 42.059 -0.071 0.000 0.899 502 L HN 0.420 nan 8.230 nan 0.000 0.434 503 L N -1.328 119.887 121.223 -0.014 0.000 2.044 503 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 503 L C 2.270 179.203 176.870 0.106 0.000 1.075 503 L CA 1.166 55.908 54.840 -0.163 0.000 0.747 503 L CB -0.920 40.594 42.059 -0.908 0.000 0.903 503 L HN 0.227 nan 8.230 nan 0.000 0.435 504 D N 0.930 121.547 120.400 0.361 0.000 2.177 504 D HA -0.257 4.383 4.640 -0.000 0.000 0.189 504 D C 2.087 178.522 176.300 0.225 0.000 1.002 504 D CA 2.034 56.274 54.000 0.399 0.000 0.845 504 D CB -0.192 40.793 40.800 0.309 0.000 0.960 504 D HN 0.402 nan 8.370 nan 0.000 0.447 505 K N 0.203 120.701 120.400 0.165 0.000 2.026 505 K HA -0.028 4.292 4.320 -0.000 0.000 0.208 505 K C 2.145 178.820 176.600 0.124 0.000 1.048 505 K CA 1.585 57.948 56.287 0.128 0.000 0.929 505 K CB -0.349 32.215 32.500 0.107 0.000 0.713 505 K HN -0.102 nan 8.250 nan 0.000 0.439 506 S N 0.951 116.737 115.700 0.144 0.000 2.428 506 S HA 0.118 4.588 4.470 -0.000 0.000 0.230 506 S C 0.937 175.577 174.600 0.066 0.000 1.014 506 S CA 0.363 58.636 58.200 0.123 0.000 0.957 506 S CB -0.207 63.127 63.200 0.224 0.000 0.784 506 S HN 0.182 nan 8.310 nan 0.000 0.499 507 L N 0.971 122.248 121.223 0.090 0.000 2.387 507 L HA 0.340 4.679 4.340 -0.000 0.000 0.266 507 L C 1.368 178.302 176.870 0.107 0.000 1.059 507 L CA -0.486 54.407 54.840 0.088 0.000 0.801 507 L CB 0.671 42.804 42.059 0.123 0.000 1.223 507 L HN 0.021 nan 8.230 nan 0.000 0.456 508 Q N 0.194 120.044 119.800 0.085 0.000 2.226 508 Q HA 0.095 4.434 4.340 -0.000 0.000 0.199 508 Q C 0.033 176.084 176.000 0.085 0.000 0.945 508 Q CA 0.779 56.626 55.803 0.073 0.000 0.861 508 Q CB 0.521 29.287 28.738 0.046 0.000 0.953 508 Q HN 0.496 nan 8.270 nan 0.000 0.490 509 K N 0.887 121.346 120.400 0.097 0.000 2.177 509 K HA 0.200 4.520 4.320 -0.000 0.000 0.238 509 K C -0.286 176.395 176.600 0.135 0.000 1.015 509 K CA -0.529 55.815 56.287 0.094 0.000 0.922 509 K CB 0.795 33.341 32.500 0.076 0.000 1.127 509 K HN -0.145 nan 8.250 nan 0.000 0.469 510 E N 1.073 121.320 120.200 0.078 0.000 2.366 510 E HA -0.001 4.349 4.350 -0.000 0.000 0.266 510 E C 0.001 176.637 176.600 0.060 0.000 1.051 510 E CA -0.127 56.279 56.400 0.010 0.000 0.884 510 E CB 0.418 30.091 29.700 -0.044 0.000 1.006 510 E HN 0.635 nan 8.360 nan 0.000 0.417 511 W N 3.126 124.441 121.300 0.025 0.000 2.904 511 W HA 0.356 5.016 4.660 -0.001 0.000 0.265 511 W C 1.122 177.622 176.519 -0.031 0.000 1.138 511 W CA 0.357 57.706 57.345 0.006 0.000 1.455 511 W CB -0.771 28.698 29.460 0.015 0.000 0.924 511 W HN 0.596 nan 8.180 nan 0.000 0.619 512 A N 3.419 125.638 122.820 -1.002 0.000 1.940 512 A HA -0.340 3.980 4.320 -0.000 0.000 0.221 512 A C 1.550 178.848 177.584 -0.475 0.000 1.190 512 A CA 2.647 54.083 52.037 -1.002 0.000 0.647 512 A CB -1.263 16.966 19.000 -1.284 0.000 0.821 512 A HN 0.477 nan 8.150 nan 0.000 0.457 513 N N -1.765 116.775 118.700 -0.265 0.000 2.282 513 N HA 0.193 4.933 4.740 -0.000 0.000 0.240 513 N C -0.802 174.699 175.510 -0.014 0.000 1.182 513 N CA 0.351 53.339 53.050 -0.104 0.000 0.874 513 N CB 0.546 39.033 38.487 0.001 0.000 1.126 513 N HN 0.251 nan 8.380 nan 0.000 0.516 514 D N 0.454 120.863 120.400 0.014 0.000 3.118 514 D HA 0.057 4.697 4.640 -0.000 0.000 0.259 514 D C 0.411 176.778 176.300 0.112 0.000 1.292 514 D CA -0.435 53.599 54.000 0.056 0.000 0.784 514 D CB 0.185 41.017 40.800 0.054 0.000 1.413 514 D HN -0.049 nan 8.370 nan 0.000 0.583 515 L N 1.244 122.538 121.223 0.118 0.000 2.263 515 L HA -0.061 4.279 4.340 -0.000 0.000 0.216 515 L C 1.250 178.186 176.870 0.111 0.000 1.111 515 L CA 1.736 56.672 54.840 0.161 0.000 0.773 515 L CB -0.088 42.058 42.059 0.144 0.000 0.906 515 L HN 0.278 nan 8.230 nan 0.000 0.439 516 D N -1.042 119.398 120.400 0.067 0.000 2.371 516 D HA -0.109 4.531 4.640 -0.000 0.000 0.234 516 D C 1.441 177.768 176.300 0.044 0.000 1.049 516 D CA 0.197 54.216 54.000 0.031 0.000 0.907 516 D CB 0.212 41.016 40.800 0.006 0.000 0.891 516 D HN 0.499 nan 8.370 nan 0.000 0.531 517 Q N 0.101 119.954 119.800 0.088 0.000 2.331 517 Q HA 0.005 4.345 4.340 -0.000 0.000 0.203 517 Q C 2.155 178.187 176.000 0.052 0.000 0.944 517 Q CA 0.109 55.966 55.803 0.091 0.000 0.892 517 Q CB 0.043 28.883 28.738 0.169 0.000 0.983 517 Q HN 0.299 nan 8.270 nan 0.000 0.482 518 L N 0.418 121.663 121.223 0.037 0.000 2.191 518 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 518 L C 2.127 178.969 176.870 -0.046 0.000 1.103 518 L CA 0.775 55.597 54.840 -0.031 0.000 0.769 518 L CB -0.587 41.451 42.059 -0.035 0.000 0.908 518 L HN 0.158 nan 8.230 nan 0.000 0.438 519 I N -0.083 120.465 120.570 -0.036 0.000 2.399 519 I HA -0.325 3.844 4.170 -0.000 0.000 0.254 519 I C 1.691 177.768 176.117 -0.067 0.000 1.146 519 I CA 1.524 62.793 61.300 -0.051 0.000 1.412 519 I CB -0.414 37.559 38.000 -0.044 0.000 1.076 519 I HN 0.336 nan 8.210 nan 0.000 0.432 520 N N -0.369 118.294 118.700 -0.061 0.000 2.515 520 N HA 0.026 4.766 4.740 -0.000 0.000 0.191 520 N C 1.507 176.939 175.510 -0.129 0.000 1.182 520 N CA 0.168 53.171 53.050 -0.077 0.000 0.879 520 N CB -0.038 38.421 38.487 -0.046 0.000 0.984 520 N HN 0.389 nan 8.380 nan 0.000 0.453 521 L N 0.206 121.338 121.223 -0.151 0.000 2.341 521 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 521 L C 2.010 178.691 176.870 -0.314 0.000 1.115 521 L CA 0.380 55.065 54.840 -0.259 0.000 0.820 521 L CB -0.309 41.644 42.059 -0.177 0.000 0.944 521 L HN 0.177 nan 8.230 nan 0.000 0.452 522 V N 0.005 119.796 119.914 -0.204 0.000 2.233 522 V HA -0.383 3.737 4.120 -0.000 0.000 0.252 522 V C 2.467 178.440 176.094 -0.201 0.000 1.063 522 V CA 2.496 64.689 62.300 -0.179 0.000 1.032 522 V CB -1.459 30.289 31.823 -0.125 0.000 0.645 522 V HN 0.643 nan 8.190 nan 0.000 0.446 523 K N 1.239 121.526 120.400 -0.188 0.000 2.218 523 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 523 K C 1.920 178.380 176.600 -0.234 0.000 1.046 523 K CA 2.409 58.592 56.287 -0.174 0.000 0.933 523 K CB -0.787 31.629 32.500 -0.139 0.000 0.728 523 K HN 0.555 nan 8.250 nan 0.000 0.454 524 L N 0.681 121.663 121.223 -0.402 0.000 2.554 524 L HA 0.102 4.442 4.340 -0.000 0.000 0.226 524 L C 2.580 179.187 176.870 -0.437 0.000 1.137 524 L CA 0.565 55.033 54.840 -0.620 0.000 0.863 524 L CB -0.149 41.113 42.059 -1.328 0.000 0.985 524 L HN 0.283 nan 8.230 nan 0.000 0.451 525 A N 0.097 122.739 122.820 -0.296 0.000 1.898 525 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 525 A C 1.933 179.475 177.584 -0.070 0.000 1.181 525 A CA 1.710 53.663 52.037 -0.141 0.000 0.620 525 A CB -0.375 18.537 19.000 -0.146 0.000 0.819 525 A HN 0.377 nan 8.150 nan 0.000 0.442 526 D N 0.160 120.509 120.400 -0.085 0.000 2.310 526 D HA -0.073 4.567 4.640 -0.000 0.000 0.212 526 D C 0.016 176.303 176.300 -0.022 0.000 0.965 526 D CA 0.698 54.669 54.000 -0.049 0.000 0.879 526 D CB -0.242 40.524 40.800 -0.056 0.000 0.921 526 D HN 0.461 nan 8.370 nan 0.000 0.510 527 D N -0.039 120.351 120.400 -0.017 0.000 2.343 527 D HA 0.219 4.858 4.640 -0.000 0.000 0.255 527 D C 0.969 177.311 176.300 0.071 0.000 1.187 527 D CA -0.224 53.792 54.000 0.026 0.000 0.875 527 D CB 1.342 42.160 40.800 0.031 0.000 1.136 527 D HN -0.078 nan 8.370 nan 0.000 0.469 528 A N 4.469 127.320 122.820 0.052 0.000 1.930 528 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 528 A C 1.825 179.450 177.584 0.068 0.000 1.175 528 A CA 1.304 53.372 52.037 0.052 0.000 0.627 528 A CB -0.268 18.750 19.000 0.030 0.000 0.815 528 A HN 0.672 nan 8.150 nan 0.000 0.443 529 K N -1.210 119.237 120.400 0.078 0.000 2.057 529 K HA -0.018 4.301 4.320 -0.000 0.000 0.206 529 K C 1.720 178.386 176.600 0.111 0.000 1.050 529 K CA 1.422 57.754 56.287 0.076 0.000 0.935 529 K CB -0.453 32.087 32.500 0.068 0.000 0.715 529 K HN 0.376 nan 8.250 nan 0.000 0.439 530 F N 2.548 122.503 119.950 0.008 0.000 2.046 530 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 530 F C 2.291 178.115 175.800 0.039 0.000 1.123 530 F CA 1.483 59.494 58.000 0.018 0.000 1.199 530 F CB -0.055 38.938 39.000 -0.011 0.000 0.972 530 F HN -0.141 nan 8.300 nan 0.000 0.474 531 R N -0.028 120.613 120.500 0.237 0.000 2.140 531 R HA -0.272 4.067 4.340 -0.000 0.000 0.250 531 R C 1.997 178.333 176.300 0.059 0.000 1.150 531 R CA 2.024 58.197 56.100 0.121 0.000 0.966 531 R CB -1.027 29.331 30.300 0.096 0.000 0.869 531 R HN 0.394 nan 8.270 nan 0.000 0.445 532 D N 0.514 120.934 120.400 0.034 0.000 2.117 532 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 532 D C 1.979 178.264 176.300 -0.026 0.000 0.987 532 D CA 1.061 55.066 54.000 0.008 0.000 0.829 532 D CB -0.043 40.761 40.800 0.007 0.000 0.961 532 D HN 0.137 nan 8.370 nan 0.000 0.460 533 L N -0.705 120.473 121.223 -0.076 0.000 2.017 533 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 533 L C 2.403 179.174 176.870 -0.166 0.000 1.073 533 L CA 1.270 56.027 54.840 -0.138 0.000 0.745 533 L CB -0.685 41.254 42.059 -0.199 0.000 0.894 533 L HN 0.132 nan 8.230 nan 0.000 0.432 534 Y N 0.573 120.642 120.300 -0.384 0.000 2.224 534 Y HA -0.275 4.275 4.550 -0.001 0.000 0.289 534 Y C 2.872 178.687 175.900 -0.142 0.000 1.146 534 Y CA 1.636 59.543 58.100 -0.321 0.000 1.182 534 Y CB -0.101 38.156 38.460 -0.338 0.000 0.983 534 Y HN 0.012 nan 8.280 nan 0.000 0.524 535 R N -0.175 120.370 120.500 0.075 0.000 2.093 535 R HA -0.090 4.250 4.340 -0.000 0.000 0.224 535 R C 2.196 178.468 176.300 -0.045 0.000 1.101 535 R CA 1.443 57.571 56.100 0.046 0.000 0.979 535 R CB -0.399 29.934 30.300 0.055 0.000 0.877 535 R HN 0.401 nan 8.270 nan 0.000 0.441 536 V N -1.366 118.509 119.914 -0.064 0.000 2.667 536 V HA -0.068 4.052 4.120 -0.000 0.000 0.252 536 V C 1.954 177.989 176.094 -0.098 0.000 1.065 536 V CA 1.234 63.491 62.300 -0.072 0.000 1.083 536 V CB -0.399 31.389 31.823 -0.058 0.000 0.692 536 V HN 0.224 nan 8.190 nan 0.000 0.468 537 I N 0.418 120.901 120.570 -0.144 0.000 2.252 537 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 537 I C 2.630 178.647 176.117 -0.166 0.000 1.102 537 I CA 2.046 63.244 61.300 -0.169 0.000 1.385 537 I CB -0.364 37.487 38.000 -0.248 0.000 1.064 537 I HN 0.331 nan 8.210 nan 0.000 0.414 538 K N 1.085 121.367 120.400 -0.197 0.000 2.057 538 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 538 K C 2.103 178.626 176.600 -0.128 0.000 1.049 538 K CA 1.590 57.786 56.287 -0.152 0.000 0.931 538 K CB -0.271 32.159 32.500 -0.118 0.000 0.714 538 K HN 0.075 nan 8.250 nan 0.000 0.440 539 Q N -0.056 119.674 119.800 -0.117 0.000 2.124 539 Q HA 0.048 4.387 4.340 -0.000 0.000 0.202 539 Q C 1.805 177.746 176.000 -0.098 0.000 0.977 539 Q CA 1.993 57.723 55.803 -0.122 0.000 0.850 539 Q CB -0.526 28.158 28.738 -0.091 0.000 0.901 539 Q HN 0.365 nan 8.270 nan 0.000 0.429 540 A N 0.175 122.950 122.820 -0.075 0.000 1.930 540 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 540 A C 1.853 179.418 177.584 -0.031 0.000 1.175 540 A CA 1.470 53.480 52.037 -0.046 0.000 0.627 540 A CB -0.575 18.397 19.000 -0.046 0.000 0.815 540 A HN 0.424 nan 8.150 nan 0.000 0.443 541 N N 0.287 118.957 118.700 -0.049 0.000 2.106 541 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 541 N C 1.583 177.104 175.510 0.019 0.000 1.029 541 N CA 1.485 54.524 53.050 -0.020 0.000 0.848 541 N CB -0.361 38.104 38.487 -0.037 0.000 1.007 541 N HN 0.529 nan 8.380 nan 0.000 0.423 542 K N 0.412 120.780 120.400 -0.052 0.000 2.103 542 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 542 K C 1.853 178.524 176.600 0.118 0.000 1.048 542 K CA 0.767 57.005 56.287 -0.081 0.000 0.930 542 K CB -0.098 32.036 32.500 -0.611 0.000 0.716 542 K HN -0.003 nan 8.250 nan 0.000 0.444 543 V N 1.175 121.114 119.914 0.042 0.000 2.515 543 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 543 V C 2.170 178.330 176.094 0.109 0.000 1.058 543 V CA 1.486 63.835 62.300 0.081 0.000 1.064 543 V CB -0.436 31.407 31.823 0.034 0.000 0.675 543 V HN 0.270 nan 8.190 nan 0.000 0.461 544 R N -0.670 119.887 120.500 0.095 0.000 2.093 544 R HA -0.032 4.308 4.340 -0.000 0.000 0.224 544 R C 2.219 178.609 176.300 0.151 0.000 1.101 544 R CA 1.038 57.195 56.100 0.095 0.000 0.979 544 R CB -0.362 29.969 30.300 0.052 0.000 0.877 544 R HN 0.381 nan 8.270 nan 0.000 0.441 545 L N 0.922 122.265 121.223 0.200 0.000 2.056 545 L HA -0.041 4.298 4.340 -0.000 0.000 0.207 545 L C 2.245 179.272 176.870 0.261 0.000 1.078 545 L CA 1.745 56.744 54.840 0.264 0.000 0.749 545 L CB -0.602 41.649 42.059 0.321 0.000 0.901 545 L HN 0.086 nan 8.230 nan 0.000 0.433 546 A N -0.287 122.685 122.820 0.253 0.000 1.903 546 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 546 A C 2.110 179.781 177.584 0.145 0.000 1.191 546 A CA 2.275 54.423 52.037 0.184 0.000 0.638 546 A CB -0.733 18.386 19.000 0.199 0.000 0.823 546 A HN 0.676 nan 8.150 nan 0.000 0.451 547 E N -1.598 118.697 120.200 0.158 0.000 2.047 547 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 547 E C 1.839 178.553 176.600 0.191 0.000 0.987 547 E CA 1.141 57.626 56.400 0.143 0.000 0.799 547 E CB -0.355 29.421 29.700 0.127 0.000 0.752 547 E HN 0.611 nan 8.360 nan 0.000 0.449 548 F N 2.142 122.125 119.950 0.055 0.000 2.043 548 F HA -0.268 4.259 4.527 -0.001 0.000 0.297 548 F C 2.195 178.024 175.800 0.049 0.000 1.121 548 F CA 1.219 59.251 58.000 0.052 0.000 1.199 548 F CB -0.628 38.408 39.000 0.060 0.000 0.968 548 F HN -0.209 nan 8.300 nan 0.000 0.478 549 V N 0.800 120.736 119.914 0.037 0.000 2.282 549 V HA -0.376 3.743 4.120 -0.000 0.000 0.249 549 V C 2.572 178.613 176.094 -0.088 0.000 1.057 549 V CA 2.446 64.689 62.300 -0.096 0.000 1.032 549 V CB -0.878 30.933 31.823 -0.021 0.000 0.645 549 V HN 0.349 nan 8.190 nan 0.000 0.447 550 K N -0.332 120.056 120.400 -0.019 0.000 2.097 550 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 550 K C 2.040 178.626 176.600 -0.023 0.000 1.049 550 K CA 1.498 57.780 56.287 -0.008 0.000 0.933 550 K CB -0.104 32.410 32.500 0.024 0.000 0.717 550 K HN 0.375 nan 8.250 nan 0.000 0.442 551 V N 1.472 121.366 119.914 -0.033 0.000 2.379 551 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 551 V C 2.375 178.412 176.094 -0.094 0.000 1.044 551 V CA 1.451 63.730 62.300 -0.036 0.000 1.036 551 V CB -0.346 31.481 31.823 0.007 0.000 0.664 551 V HN 0.299 nan 8.190 nan 0.000 0.453 552 R N 0.617 120.989 120.500 -0.214 0.000 2.093 552 R HA -0.032 4.308 4.340 -0.000 0.000 0.224 552 R C 2.180 178.414 176.300 -0.109 0.000 1.101 552 R CA 1.792 57.757 56.100 -0.226 0.000 0.979 552 R CB -0.996 29.031 30.300 -0.455 0.000 0.877 552 R HN 0.703 nan 8.270 nan 0.000 0.441 553 T N -5.058 109.447 114.554 -0.082 0.000 2.954 553 T HA 0.259 4.609 4.350 -0.000 0.000 0.252 553 T C 1.343 176.038 174.700 -0.009 0.000 0.983 553 T CA 0.689 62.776 62.100 -0.023 0.000 0.941 553 T CB 0.813 69.679 68.868 -0.005 0.000 1.141 553 T HN 0.320 nan 8.240 nan 0.000 0.500 554 G N 1.736 110.526 108.800 -0.016 0.000 2.179 554 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 554 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 554 G C -0.005 174.895 174.900 0.000 0.000 0.977 554 G CA 0.146 45.244 45.100 -0.003 0.000 0.641 554 G HN 0.677 nan 8.290 nan 0.000 0.533 555 I N 1.702 122.270 120.570 -0.004 0.000 2.352 555 I HA 0.278 4.447 4.170 -0.000 0.000 0.290 555 I C -0.425 175.691 176.117 -0.002 0.000 1.036 555 I CA -0.481 60.817 61.300 -0.003 0.000 1.336 555 I CB 0.869 38.864 38.000 -0.007 0.000 1.407 555 I HN -0.011 nan 8.210 nan 0.000 0.497 556 D N 7.456 127.859 120.400 0.005 0.000 2.365 556 D HA 0.255 4.894 4.640 -0.000 0.000 0.237 556 D C -0.130 176.175 176.300 0.010 0.000 1.190 556 D CA -0.193 53.816 54.000 0.015 0.000 0.867 556 D CB 0.671 41.485 40.800 0.023 0.000 1.050 556 D HN 0.154 nan 8.370 nan 0.000 0.491 557 I N 2.521 123.094 120.570 0.004 0.000 2.474 557 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 557 I C 0.632 176.787 176.117 0.063 0.000 1.048 557 I CA -0.485 60.803 61.300 -0.021 0.000 1.383 557 I CB 0.530 38.460 38.000 -0.116 0.000 1.412 557 I HN 0.313 nan 8.210 nan 0.000 0.531 558 N N 9.459 128.208 118.700 0.081 0.000 2.401 558 N HA 0.179 4.919 4.740 -0.000 0.000 0.255 558 N C -1.835 173.824 175.510 0.249 0.000 1.110 558 N CA -1.709 51.417 53.050 0.126 0.000 0.949 558 N CB 0.904 39.438 38.487 0.078 0.000 1.110 558 N HN 0.292 nan 8.380 nan 0.000 0.490 559 P HA -0.015 nan 4.420 nan 0.000 0.249 559 P C -0.020 177.266 177.300 -0.023 0.000 1.241 559 P CA 0.661 63.836 63.100 0.125 0.000 0.781 559 P CB 0.541 32.282 31.700 0.069 0.000 1.088 560 Q N -1.023 118.791 119.800 0.025 0.000 2.317 560 Q HA 0.243 4.583 4.340 -0.000 0.000 0.220 560 Q C 1.076 177.078 176.000 0.005 0.000 0.873 560 Q CA -0.037 55.764 55.803 -0.003 0.000 0.936 560 Q CB 0.447 29.190 28.738 0.008 0.000 1.105 560 Q HN 0.165 nan 8.270 nan 0.000 0.520 561 A N 1.187 124.028 122.820 0.035 0.000 2.332 561 A HA 0.423 4.743 4.320 -0.000 0.000 0.258 561 A C 0.127 177.661 177.584 -0.082 0.000 1.087 561 A CA -0.442 51.597 52.037 0.003 0.000 0.802 561 A CB 0.197 19.238 19.000 0.068 0.000 1.042 561 A HN 0.226 nan 8.150 nan 0.000 0.489 562 I N 1.105 121.501 120.570 -0.290 0.000 2.496 562 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 562 I C -0.723 175.345 176.117 -0.082 0.000 1.080 562 I CA 0.137 61.147 61.300 -0.483 0.000 1.404 562 I CB 0.353 37.899 38.000 -0.758 0.000 1.403 562 I HN 0.391 nan 8.210 nan 0.000 0.539 563 F N 4.782 124.542 119.950 -0.316 0.000 2.368 563 F HA 0.192 4.719 4.527 -0.001 0.000 0.362 563 F C 0.551 176.192 175.800 -0.265 0.000 1.137 563 F CA -0.999 56.861 58.000 -0.235 0.000 1.161 563 F CB -0.028 38.901 39.000 -0.119 0.000 1.265 563 F HN 0.359 nan 8.300 nan 0.000 0.530 564 D N 5.571 125.818 120.400 -0.255 0.000 2.396 564 D HA 0.319 4.959 4.640 -0.000 0.000 0.225 564 D C -0.456 175.691 176.300 -0.255 0.000 1.121 564 D CA -0.068 53.736 54.000 -0.327 0.000 0.853 564 D CB 0.619 40.985 40.800 -0.723 0.000 1.043 564 D HN 0.344 nan 8.370 nan 0.000 0.500 565 I N 2.852 123.328 120.570 -0.157 0.000 2.406 565 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 565 I C 0.138 176.127 176.117 -0.212 0.000 0.999 565 I CA -0.724 60.466 61.300 -0.182 0.000 1.124 565 I CB 2.087 40.041 38.000 -0.078 0.000 1.289 565 I HN 0.160 nan 8.210 nan 0.000 0.441 566 Q N 7.936 127.516 119.800 -0.367 0.000 2.523 566 Q HA 0.485 4.825 4.340 -0.000 0.000 0.251 566 Q C -1.225 174.575 176.000 -0.335 0.000 1.033 566 Q CA -0.534 55.060 55.803 -0.349 0.000 0.746 566 Q CB 1.029 29.515 28.738 -0.420 0.000 1.189 566 Q HN 0.733 nan 8.270 nan 0.000 0.508 567 I N 1.729 122.123 120.570 -0.293 0.000 2.405 567 I HA 0.605 4.775 4.170 -0.000 0.000 0.280 567 I C -0.922 174.898 176.117 -0.494 0.000 1.027 567 I CA -0.620 60.387 61.300 -0.489 0.000 1.161 567 I CB 0.674 38.448 38.000 -0.377 0.000 1.300 567 I HN 0.364 nan 8.210 nan 0.000 0.463 568 K N 3.611 123.715 120.400 -0.492 0.000 2.772 568 K HA 0.439 4.759 4.320 -0.000 0.000 0.292 568 K C -1.074 175.427 176.600 -0.164 0.000 1.049 568 K CA -1.163 54.965 56.287 -0.264 0.000 0.846 568 K CB 1.113 33.524 32.500 -0.148 0.000 1.514 568 K HN 0.504 nan 8.250 nan 0.000 0.373 569 R N 0.403 120.869 120.500 -0.056 0.000 2.873 569 R HA 0.100 4.439 4.340 -0.000 0.000 0.267 569 R C -0.669 175.613 176.300 -0.030 0.000 1.009 569 R CA -0.031 56.066 56.100 -0.005 0.000 1.152 569 R CB 0.216 30.520 30.300 0.008 0.000 1.047 569 R HN 0.581 nan 8.270 nan 0.000 0.470 570 L N 2.888 124.107 121.223 -0.006 0.000 2.277 570 L HA 0.301 4.641 4.340 -0.000 0.000 0.284 570 L C -0.933 175.837 176.870 -0.168 0.000 1.028 570 L CA -0.185 54.609 54.840 -0.077 0.000 0.835 570 L CB 0.565 42.592 42.059 -0.053 0.000 1.215 570 L HN 0.677 nan 8.230 nan 0.000 0.425 571 H N 1.215 120.114 119.070 -0.285 0.000 2.821 571 H HA 0.178 4.734 4.556 -0.000 0.000 0.373 571 H C 0.529 175.686 175.328 -0.286 0.000 1.165 571 H CA -0.474 55.388 56.048 -0.309 0.000 1.154 571 H CB 1.977 31.426 29.762 -0.520 0.000 1.765 571 H HN 0.622 nan 8.280 nan 0.000 0.549 572 E N 2.095 122.166 120.200 -0.214 0.000 2.097 572 E HA -0.273 4.076 4.350 -0.000 0.000 0.196 572 E C 1.141 177.785 176.600 0.074 0.000 1.000 572 E CA 1.905 58.293 56.400 -0.020 0.000 0.804 572 E CB -0.036 29.757 29.700 0.155 0.000 0.740 572 E HN 0.741 nan 8.360 nan 0.000 0.454 573 Y N -0.009 120.210 120.300 -0.135 0.000 2.439 573 Y HA 0.085 4.636 4.550 0.002 0.000 0.292 573 Y C 1.620 177.398 175.900 -0.202 0.000 1.130 573 Y CA 0.712 58.411 58.100 -0.669 0.000 1.254 573 Y CB -0.359 37.502 38.460 -0.998 0.000 1.000 573 Y HN -0.168 nan 8.280 nan 0.000 0.554 574 K N 0.884 121.213 120.400 -0.118 0.000 2.432 574 K HA 0.063 4.383 4.320 -0.000 0.000 0.196 574 K C 0.076 176.700 176.600 0.041 0.000 1.038 574 K CA 0.362 56.624 56.287 -0.043 0.000 0.986 574 K CB -0.052 32.361 32.500 -0.146 0.000 0.782 574 K HN 0.221 nan 8.250 nan 0.000 0.485 575 R N 0.275 120.851 120.500 0.127 0.000 3.264 575 R HA -0.241 4.098 4.340 -0.000 0.000 0.251 575 R C 0.097 176.507 176.300 0.183 0.000 0.971 575 R CA 0.194 56.414 56.100 0.201 0.000 0.658 575 R CB -1.804 28.512 30.300 0.026 0.000 1.095 575 R HN 0.287 nan 8.270 nan 0.000 0.443 576 Q N -0.330 119.600 119.800 0.217 0.000 2.167 576 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 576 Q C 1.828 177.952 176.000 0.206 0.000 0.970 576 Q CA 2.192 58.115 55.803 0.201 0.000 0.855 576 Q CB -0.227 28.573 28.738 0.104 0.000 0.911 576 Q HN 0.880 nan 8.270 nan 0.000 0.438 577 H N -1.486 117.585 119.070 0.001 0.000 2.457 577 H HA -0.031 4.525 4.556 -0.001 0.000 0.294 577 H C 1.853 177.221 175.328 0.067 0.000 1.064 577 H CA 0.584 56.631 56.048 -0.002 0.000 1.330 577 H CB -0.135 29.627 29.762 0.000 0.000 1.395 577 H HN 0.186 nan 8.280 nan 0.000 0.541 578 L N 1.640 122.853 121.223 -0.016 0.000 2.046 578 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 578 L C 2.045 179.021 176.870 0.177 0.000 1.077 578 L CA 1.817 56.673 54.840 0.026 0.000 0.747 578 L CB -1.028 40.974 42.059 -0.095 0.000 0.896 578 L HN 0.428 nan 8.230 nan 0.000 0.432 579 N N -1.038 117.762 118.700 0.166 0.000 2.043 579 N HA -0.257 4.482 4.740 -0.000 0.000 0.193 579 N C 1.967 177.541 175.510 0.107 0.000 1.037 579 N CA 1.433 54.620 53.050 0.229 0.000 0.851 579 N CB -0.193 38.443 38.487 0.248 0.000 1.027 579 N HN 0.354 nan 8.380 nan 0.000 0.422 580 L N 1.415 122.683 121.223 0.074 0.000 2.042 580 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 580 L C 1.954 178.803 176.870 -0.034 0.000 1.076 580 L CA 1.433 56.241 54.840 -0.053 0.000 0.749 580 L CB -0.517 41.475 42.059 -0.111 0.000 0.893 580 L HN 0.293 nan 8.230 nan 0.000 0.432 581 L N -1.241 120.038 121.223 0.093 0.000 2.083 581 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 581 L C 2.770 179.797 176.870 0.263 0.000 1.083 581 L CA 0.888 55.853 54.840 0.208 0.000 0.752 581 L CB -0.803 41.484 42.059 0.380 0.000 0.899 581 L HN 0.263 nan 8.230 nan 0.000 0.433 582 R N 0.994 121.590 120.500 0.161 0.000 2.070 582 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 582 R C 2.173 178.396 176.300 -0.129 0.000 1.137 582 R CA 1.659 57.722 56.100 -0.062 0.000 0.945 582 R CB -0.666 29.539 30.300 -0.159 0.000 0.845 582 R HN 0.342 nan 8.270 nan 0.000 0.430 583 I N 0.880 121.299 120.570 -0.252 0.000 2.163 583 I HA -0.338 3.832 4.170 -0.000 0.000 0.243 583 I C 2.334 178.365 176.117 -0.143 0.000 1.085 583 I CA 1.278 62.317 61.300 -0.435 0.000 1.347 583 I CB -0.326 37.275 38.000 -0.665 0.000 1.044 583 I HN 0.137 nan 8.210 nan 0.000 0.408 584 L N 0.423 121.610 121.223 -0.061 0.000 2.079 584 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 584 L C 2.857 179.804 176.870 0.129 0.000 1.081 584 L CA 1.278 56.167 54.840 0.082 0.000 0.752 584 L CB -0.785 41.308 42.059 0.058 0.000 0.896 584 L HN 0.262 nan 8.230 nan 0.000 0.433 585 A N 0.137 123.025 122.820 0.113 0.000 1.865 585 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 585 A C 2.225 179.852 177.584 0.070 0.000 1.191 585 A CA 1.862 53.971 52.037 0.119 0.000 0.623 585 A CB -0.853 18.244 19.000 0.163 0.000 0.826 585 A HN 0.288 nan 8.150 nan 0.000 0.444 586 L N -1.655 119.595 121.223 0.046 0.000 2.043 586 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 586 L C 2.378 179.326 176.870 0.129 0.000 1.075 586 L CA 2.345 57.222 54.840 0.061 0.000 0.752 586 L CB -0.827 41.269 42.059 0.062 0.000 0.891 586 L HN 0.577 nan 8.230 nan 0.000 0.432 587 Y N 0.585 120.883 120.300 -0.003 0.000 2.114 587 Y HA -0.300 4.250 4.550 -0.001 0.000 0.284 587 Y C 2.660 178.579 175.900 0.032 0.000 1.143 587 Y CA 2.243 60.352 58.100 0.015 0.000 1.135 587 Y CB -0.570 37.893 38.460 0.006 0.000 0.980 587 Y HN 0.254 nan 8.280 nan 0.000 0.499 588 K N 0.435 120.778 120.400 -0.096 0.000 2.020 588 K HA -0.307 4.013 4.320 -0.000 0.000 0.212 588 K C 2.215 178.747 176.600 -0.113 0.000 1.050 588 K CA 2.118 58.294 56.287 -0.185 0.000 0.929 588 K CB -0.456 32.011 32.500 -0.055 0.000 0.714 588 K HN 0.529 nan 8.250 nan 0.000 0.443 589 E N 0.468 120.649 120.200 -0.031 0.000 2.065 589 E HA -0.230 4.120 4.350 -0.000 0.000 0.201 589 E C 2.089 178.679 176.600 -0.018 0.000 1.016 589 E CA 1.945 58.336 56.400 -0.014 0.000 0.818 589 E CB -0.163 29.542 29.700 0.008 0.000 0.749 589 E HN 0.408 nan 8.360 nan 0.000 0.453 590 I N 0.514 121.087 120.570 0.005 0.000 2.208 590 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 590 I C 2.618 178.727 176.117 -0.013 0.000 1.097 590 I CA 1.406 62.721 61.300 0.024 0.000 1.363 590 I CB -0.339 37.718 38.000 0.095 0.000 1.051 590 I HN 0.113 nan 8.210 nan 0.000 0.413 591 R N 1.035 121.483 120.500 -0.087 0.000 2.070 591 R HA -0.157 4.182 4.340 -0.000 0.000 0.233 591 R C 2.051 178.310 176.300 -0.069 0.000 1.137 591 R CA 1.625 57.663 56.100 -0.102 0.000 0.945 591 R CB -0.561 29.607 30.300 -0.220 0.000 0.845 591 R HN 0.477 nan 8.270 nan 0.000 0.430 592 E N 0.339 120.495 120.200 -0.073 0.000 2.347 592 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 592 E C 0.101 176.685 176.600 -0.027 0.000 1.008 592 E CA 0.423 56.795 56.400 -0.048 0.000 0.852 592 E CB -0.011 29.662 29.700 -0.046 0.000 0.783 592 E HN 0.125 nan 8.360 nan 0.000 0.505 593 N N 0.220 118.908 118.700 -0.021 0.000 2.640 593 N HA 0.097 4.837 4.740 -0.000 0.000 0.262 593 N C -2.552 172.956 175.510 -0.003 0.000 1.174 593 N CA -1.994 51.050 53.050 -0.010 0.000 0.791 593 N CB 1.176 39.659 38.487 -0.007 0.000 1.279 593 N HN -0.242 nan 8.380 nan 0.000 0.535 594 P HA 0.120 nan 4.420 nan 0.000 0.256 594 P C -0.225 177.078 177.300 0.006 0.000 1.335 594 P CA 0.468 63.571 63.100 0.005 0.000 0.808 594 P CB 0.372 32.075 31.700 0.005 0.000 1.305 595 Q N -0.847 118.955 119.800 0.004 0.000 2.157 595 Q HA 0.357 4.697 4.340 -0.000 0.000 0.229 595 Q C 0.362 176.364 176.000 0.004 0.000 0.827 595 Q CA -0.413 55.392 55.803 0.004 0.000 1.055 595 Q CB 0.882 29.621 28.738 0.002 0.000 1.157 595 Q HN 0.122 nan 8.270 nan 0.000 0.482 596 A N 1.182 124.005 122.820 0.005 0.000 2.301 596 A HA 0.291 4.610 4.320 -0.000 0.000 0.298 596 A C -0.058 177.529 177.584 0.005 0.000 1.185 596 A CA -0.334 51.705 52.037 0.004 0.000 0.830 596 A CB 0.413 19.416 19.000 0.005 0.000 1.112 596 A HN -0.010 nan 8.150 nan 0.000 0.508 597 D N 1.842 122.243 120.400 0.002 0.000 3.072 597 D HA 0.092 4.731 4.640 -0.000 0.000 0.250 597 D C 0.090 176.388 176.300 -0.003 0.000 1.304 597 D CA -0.199 53.802 54.000 0.002 0.000 0.861 597 D CB -0.144 40.657 40.800 0.002 0.000 1.062 597 D HN 0.325 nan 8.370 nan 0.000 0.481 598 R N 0.091 120.588 120.500 -0.004 0.000 2.543 598 R HA 0.214 4.554 4.340 -0.000 0.000 0.277 598 R C -0.126 176.161 176.300 -0.022 0.000 1.074 598 R CA -0.560 55.531 56.100 -0.016 0.000 1.076 598 R CB 1.147 31.440 30.300 -0.011 0.000 0.993 598 R HN 0.026 nan 8.270 nan 0.000 0.459 599 V N 5.843 125.731 119.914 -0.043 0.000 2.655 599 V HA 0.045 4.165 4.120 -0.000 0.000 0.300 599 V C -1.771 174.273 176.094 -0.084 0.000 1.044 599 V CA -1.180 61.087 62.300 -0.055 0.000 1.095 599 V CB 0.728 32.501 31.823 -0.084 0.000 0.952 599 V HN 0.611 nan 8.190 nan 0.000 0.485 600 P HA 0.123 nan 4.420 nan 0.000 0.264 600 P C -0.438 176.785 177.300 -0.129 0.000 1.183 600 P CA 0.372 63.438 63.100 -0.056 0.000 0.763 600 P CB 0.358 32.045 31.700 -0.021 0.000 0.807 601 R N 1.658 122.082 120.500 -0.126 0.000 2.740 601 R HA 0.640 4.979 4.340 -0.000 0.000 0.282 601 R C -1.258 174.920 176.300 -0.204 0.000 0.969 601 R CA -1.059 54.882 56.100 -0.265 0.000 0.918 601 R CB 2.146 32.209 30.300 -0.395 0.000 1.175 601 R HN 0.189 nan 8.270 nan 0.000 0.464 602 V N 3.681 123.417 119.914 -0.296 0.000 2.443 602 V HA 0.387 4.507 4.120 -0.000 0.000 0.293 602 V C -0.908 174.970 176.094 -0.360 0.000 1.021 602 V CA -0.715 61.435 62.300 -0.251 0.000 0.848 602 V CB 1.216 32.844 31.823 -0.325 0.000 0.998 602 V HN 0.521 nan 8.190 nan 0.000 0.424 603 F N 5.362 125.214 119.950 -0.163 0.000 2.405 603 F HA 0.612 5.138 4.527 -0.001 0.000 0.355 603 F C 0.060 175.731 175.800 -0.215 0.000 1.121 603 F CA -0.428 57.446 58.000 -0.210 0.000 1.112 603 F CB 1.134 40.039 39.000 -0.159 0.000 1.126 603 F HN 0.231 nan 8.300 nan 0.000 0.481 604 L N 4.080 125.198 121.223 -0.175 0.000 2.317 604 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 604 L C -0.917 175.758 176.870 -0.325 0.000 1.024 604 L CA -0.413 54.339 54.840 -0.147 0.000 0.810 604 L CB 1.258 43.232 42.059 -0.141 0.000 1.240 604 L HN 0.420 nan 8.230 nan 0.000 0.427 605 F N 0.483 120.325 119.950 -0.179 0.000 2.551 605 F HA 0.755 5.282 4.527 -0.001 0.000 0.316 605 F C 0.459 176.048 175.800 -0.351 0.000 1.089 605 F CA -0.689 57.036 58.000 -0.457 0.000 0.915 605 F CB 2.448 40.852 39.000 -0.993 0.000 1.186 605 F HN 0.352 nan 8.300 nan 0.000 0.456 606 G N 1.591 110.276 108.800 -0.191 0.000 2.744 606 G HA2 0.764 4.724 3.960 -0.000 0.000 0.286 606 G HA3 0.764 4.724 3.960 -0.000 0.000 0.286 606 G C -1.781 172.982 174.900 -0.229 0.000 1.497 606 G CA -0.522 44.527 45.100 -0.085 0.000 1.070 606 G HN 0.987 nan 8.290 nan 0.000 0.539 607 A N 2.298 125.260 122.820 0.238 0.000 2.567 607 A HA 0.869 5.189 4.320 -0.000 0.000 0.291 607 A C -1.349 176.466 177.584 0.384 0.000 1.048 607 A CA -0.918 51.241 52.037 0.204 0.000 0.661 607 A CB 1.481 20.576 19.000 0.158 0.000 1.288 607 A HN 0.643 nan 8.150 nan 0.000 0.424 608 K N -0.111 120.444 120.400 0.258 0.000 2.464 608 K HA 0.741 5.061 4.320 -0.000 0.000 0.253 608 K C -0.610 176.146 176.600 0.259 0.000 0.933 608 K CA -0.266 56.191 56.287 0.284 0.000 0.801 608 K CB 2.573 35.131 32.500 0.097 0.000 1.271 608 K HN 1.208 nan 8.250 nan 0.000 0.430 609 A N 1.513 124.514 122.820 0.302 0.000 2.312 609 A HA 0.765 5.085 4.320 -0.000 0.000 0.326 609 A C -0.340 177.388 177.584 0.240 0.000 1.172 609 A CA -0.614 51.497 52.037 0.125 0.000 0.821 609 A CB 0.970 19.939 19.000 -0.052 0.000 1.166 609 A HN 0.789 nan 8.150 nan 0.000 0.493 610 A N 3.349 126.304 122.820 0.225 0.000 2.520 610 A HA 0.454 4.774 4.320 -0.000 0.000 0.235 610 A C -1.287 176.335 177.584 0.063 0.000 1.065 610 A CA -0.655 51.520 52.037 0.229 0.000 0.764 610 A CB -0.476 18.654 19.000 0.217 0.000 1.002 610 A HN 0.618 nan 8.150 nan 0.000 0.502 611 P HA -0.171 nan 4.420 nan 0.000 0.218 611 P C 1.097 178.276 177.300 -0.201 0.000 1.154 611 P CA 2.279 65.290 63.100 -0.149 0.000 0.872 611 P CB 0.180 31.824 31.700 -0.093 0.000 0.790 612 G N -3.522 105.128 108.800 -0.249 0.000 3.774 612 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.287 612 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.287 612 G C -0.465 174.001 174.900 -0.723 0.000 1.030 612 G CA 0.028 44.752 45.100 -0.626 0.000 0.824 612 G HN 0.120 nan 8.290 nan 0.000 0.518 613 Y N 2.309 122.306 120.300 -0.506 0.000 2.812 613 Y HA 0.368 4.917 4.550 -0.000 0.000 0.354 613 Y C 0.877 176.636 175.900 -0.234 0.000 1.276 613 Y CA -2.530 55.377 58.100 -0.322 0.000 1.639 613 Y CB -0.598 37.751 38.460 -0.186 0.000 1.741 613 Y HN 0.270 nan 8.280 nan 0.000 0.479 614 Y N 0.819 121.228 120.300 0.181 0.000 2.102 614 Y HA -0.364 4.186 4.550 -0.000 0.000 0.280 614 Y C 2.416 178.338 175.900 0.036 0.000 1.178 614 Y CA 1.806 59.946 58.100 0.067 0.000 1.146 614 Y CB -0.985 37.502 38.460 0.044 0.000 0.968 614 Y HN 0.444 nan 8.280 nan 0.000 0.504 615 L N -0.537 120.836 121.223 0.249 0.000 2.013 615 L HA -0.312 4.028 4.340 -0.000 0.000 0.212 615 L C 2.552 179.347 176.870 -0.125 0.000 1.073 615 L CA 1.603 56.499 54.840 0.093 0.000 0.753 615 L CB -0.627 41.531 42.059 0.165 0.000 0.890 615 L HN 0.318 nan 8.230 nan 0.000 0.432 616 A N -0.344 122.215 122.820 -0.434 0.000 1.902 616 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 616 A C 2.231 179.655 177.584 -0.266 0.000 1.181 616 A CA 1.831 53.493 52.037 -0.625 0.000 0.623 616 A CB -0.425 17.815 19.000 -1.266 0.000 0.818 616 A HN 0.414 nan 8.150 nan 0.000 0.443 617 K N -0.396 119.913 120.400 -0.152 0.000 2.147 617 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 617 K C 1.894 178.503 176.600 0.015 0.000 1.049 617 K CA 1.302 57.570 56.287 -0.032 0.000 0.936 617 K CB -0.332 32.179 32.500 0.018 0.000 0.722 617 K HN 0.670 nan 8.250 nan 0.000 0.446 618 N N 1.249 119.969 118.700 0.033 0.000 2.216 618 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 618 N C 1.869 177.441 175.510 0.104 0.000 1.017 618 N CA 0.476 53.603 53.050 0.128 0.000 0.861 618 N CB 0.097 38.658 38.487 0.124 0.000 0.986 618 N HN 0.091 nan 8.380 nan 0.000 0.428 619 I N 1.152 121.696 120.570 -0.043 0.000 2.361 619 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 619 I C 2.155 178.206 176.117 -0.110 0.000 1.133 619 I CA 0.818 62.044 61.300 -0.125 0.000 1.413 619 I CB -0.222 37.640 38.000 -0.230 0.000 1.073 619 I HN 0.202 nan 8.210 nan 0.000 0.424 620 I N 0.173 120.717 120.570 -0.044 0.000 2.226 620 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 620 I C 2.570 178.644 176.117 -0.073 0.000 1.100 620 I CA 1.503 62.780 61.300 -0.037 0.000 1.374 620 I CB -0.365 37.612 38.000 -0.038 0.000 1.057 620 I HN 0.175 nan 8.210 nan 0.000 0.413 621 F N 1.963 121.829 119.950 -0.139 0.000 2.102 621 F HA -0.210 4.317 4.527 -0.001 0.000 0.298 621 F C 2.490 178.236 175.800 -0.091 0.000 1.105 621 F CA 1.243 59.202 58.000 -0.068 0.000 1.239 621 F CB -0.703 38.341 39.000 0.072 0.000 0.991 621 F HN 0.008 nan 8.300 nan 0.000 0.474 622 A N 0.990 123.678 122.820 -0.221 0.000 1.851 622 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 622 A C 2.390 179.593 177.584 -0.635 0.000 1.195 622 A CA 2.262 53.784 52.037 -0.858 0.000 0.622 622 A CB -1.353 17.142 19.000 -0.841 0.000 0.831 622 A HN 0.451 nan 8.150 nan 0.000 0.444 623 I N -0.069 120.231 120.570 -0.450 0.000 2.118 623 I HA -0.356 3.814 4.170 -0.000 0.000 0.241 623 I C 2.391 178.295 176.117 -0.354 0.000 1.070 623 I CA 1.660 62.700 61.300 -0.433 0.000 1.327 623 I CB -0.685 37.008 38.000 -0.510 0.000 1.034 623 I HN 0.375 nan 8.210 nan 0.000 0.405 624 N N 0.971 119.487 118.700 -0.308 0.000 2.036 624 N HA -0.195 4.545 4.740 -0.000 0.000 0.195 624 N C 1.812 177.174 175.510 -0.247 0.000 1.037 624 N CA 1.387 54.265 53.050 -0.287 0.000 0.855 624 N CB -0.281 37.982 38.487 -0.374 0.000 1.033 624 N HN 0.312 nan 8.380 nan 0.000 0.423 625 K N 0.924 121.147 120.400 -0.295 0.000 2.097 625 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 625 K C 2.037 178.515 176.600 -0.204 0.000 1.049 625 K CA 0.780 56.928 56.287 -0.232 0.000 0.933 625 K CB -0.626 31.709 32.500 -0.275 0.000 0.717 625 K HN 0.287 nan 8.250 nan 0.000 0.442 626 V N -1.084 118.589 119.914 -0.401 0.000 2.719 626 V HA 0.045 4.165 4.120 -0.000 0.000 0.252 626 V C 2.174 178.067 176.094 -0.336 0.000 1.065 626 V CA 1.529 63.507 62.300 -0.536 0.000 1.086 626 V CB -0.426 30.848 31.823 -0.915 0.000 0.700 626 V HN 0.133 nan 8.190 nan 0.000 0.467 627 A N 0.667 123.325 122.820 -0.269 0.000 1.902 627 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 627 A C 1.789 179.294 177.584 -0.132 0.000 1.181 627 A CA 2.126 54.053 52.037 -0.184 0.000 0.623 627 A CB -0.952 17.972 19.000 -0.128 0.000 0.818 627 A HN 0.590 nan 8.150 nan 0.000 0.443 628 D N -0.510 119.829 120.400 -0.101 0.000 2.103 628 D HA -0.136 4.504 4.640 -0.000 0.000 0.190 628 D C 1.978 178.257 176.300 -0.035 0.000 0.997 628 D CA 1.565 55.535 54.000 -0.050 0.000 0.833 628 D CB -0.360 40.422 40.800 -0.030 0.000 0.961 628 D HN 0.142 nan 8.370 nan 0.000 0.447 629 V N 0.652 120.563 119.914 -0.006 0.000 2.220 629 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 629 V C 2.403 178.451 176.094 -0.077 0.000 1.049 629 V CA 1.585 63.911 62.300 0.043 0.000 1.003 629 V CB -0.507 31.470 31.823 0.256 0.000 0.634 629 V HN 0.244 nan 8.190 nan 0.000 0.444 630 I N 0.438 120.840 120.570 -0.280 0.000 2.087 630 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 630 I C 2.368 178.370 176.117 -0.192 0.000 1.054 630 I CA 2.078 63.091 61.300 -0.478 0.000 1.311 630 I CB -0.786 36.856 38.000 -0.596 0.000 1.024 630 I HN 0.382 nan 8.210 nan 0.000 0.402 631 N N 1.054 119.679 118.700 -0.126 0.000 2.137 631 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 631 N C 1.256 176.750 175.510 -0.026 0.000 1.017 631 N CA 1.378 54.393 53.050 -0.059 0.000 0.859 631 N CB -0.567 37.895 38.487 -0.042 0.000 1.002 631 N HN 0.484 nan 8.380 nan 0.000 0.428 632 N N 0.576 119.266 118.700 -0.015 0.000 2.280 632 N HA -0.042 4.698 4.740 -0.000 0.000 0.192 632 N C -0.507 175.020 175.510 0.028 0.000 1.109 632 N CA 0.002 53.057 53.050 0.009 0.000 0.855 632 N CB 0.319 38.813 38.487 0.011 0.000 0.974 632 N HN 0.170 nan 8.380 nan 0.000 0.482 633 D N 2.165 122.590 120.400 0.041 0.000 2.339 633 D HA 0.093 4.732 4.640 -0.000 0.000 0.256 633 D C -1.749 174.593 176.300 0.070 0.000 1.214 633 D CA -1.863 52.187 54.000 0.082 0.000 0.877 633 D CB 1.418 42.319 40.800 0.168 0.000 1.111 633 D HN 0.076 nan 8.370 nan 0.000 0.478 634 P HA 0.057 nan 4.420 nan 0.000 0.256 634 P C 1.033 178.362 177.300 0.049 0.000 1.335 634 P CA 0.102 63.229 63.100 0.045 0.000 0.808 634 P CB 0.291 32.010 31.700 0.033 0.000 1.305 635 L N -0.676 120.587 121.223 0.068 0.000 2.477 635 L HA 0.042 4.382 4.340 -0.000 0.000 0.220 635 L C 1.962 178.881 176.870 0.081 0.000 1.106 635 L CA 0.857 55.737 54.840 0.067 0.000 0.851 635 L CB -0.018 42.085 42.059 0.073 0.000 0.994 635 L HN -0.010 nan 8.230 nan 0.000 0.462 636 V N -4.694 115.277 119.914 0.096 0.000 3.013 636 V HA 0.491 4.611 4.120 -0.000 0.000 0.238 636 V C 1.642 177.773 176.094 0.061 0.000 1.161 636 V CA 0.509 62.869 62.300 0.099 0.000 1.170 636 V CB -0.302 31.605 31.823 0.139 0.000 0.917 636 V HN 0.341 nan 8.190 nan 0.000 0.478 637 G N 2.899 111.728 108.800 0.049 0.000 2.672 637 G HA2 -0.484 3.476 3.960 -0.000 0.000 0.324 637 G HA3 -0.484 3.476 3.960 -0.000 0.000 0.324 637 G C 0.859 175.777 174.900 0.031 0.000 1.286 637 G CA 1.190 46.311 45.100 0.034 0.000 1.004 637 G HN 0.861 nan 8.290 nan 0.000 0.548 638 D N 0.728 121.145 120.400 0.029 0.000 2.350 638 D HA -0.042 4.598 4.640 -0.000 0.000 0.216 638 D C 1.863 178.178 176.300 0.026 0.000 0.968 638 D CA 1.329 55.345 54.000 0.027 0.000 0.894 638 D CB -0.155 40.661 40.800 0.026 0.000 0.909 638 D HN 0.471 nan 8.370 nan 0.000 0.520 639 K N -0.233 120.187 120.400 0.033 0.000 2.148 639 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 639 K C 0.779 177.405 176.600 0.043 0.000 1.050 639 K CA 0.289 56.597 56.287 0.035 0.000 0.942 639 K CB 0.192 32.721 32.500 0.049 0.000 0.724 639 K HN 0.246 nan 8.250 nan 0.000 0.446 640 L N -0.243 121.011 121.223 0.051 0.000 2.549 640 L HA 0.372 4.711 4.340 -0.000 0.000 0.259 640 L C -1.903 174.989 176.870 0.037 0.000 0.934 640 L CA -0.430 54.452 54.840 0.071 0.000 0.865 640 L CB 2.039 44.162 42.059 0.106 0.000 1.352 640 L HN -0.177 nan 8.230 nan 0.000 0.410 641 K N 2.603 123.036 120.400 0.056 0.000 2.557 641 K HA 0.789 5.109 4.320 -0.000 0.000 0.257 641 K C -1.998 174.647 176.600 0.075 0.000 0.933 641 K CA -0.512 55.788 56.287 0.022 0.000 0.820 641 K CB 2.343 34.839 32.500 -0.007 0.000 1.330 641 K HN 0.370 nan 8.250 nan 0.000 0.432 642 V N 3.469 123.408 119.914 0.042 0.000 2.555 642 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 642 V C -1.110 175.034 176.094 0.083 0.000 1.038 642 V CA -0.791 61.567 62.300 0.096 0.000 0.887 642 V CB 1.711 33.544 31.823 0.016 0.000 0.991 642 V HN 0.518 nan 8.190 nan 0.000 0.434 643 V N 6.212 126.211 119.914 0.142 0.000 2.569 643 V HA 0.585 4.705 4.120 -0.000 0.000 0.301 643 V C -1.802 174.455 176.094 0.271 0.000 1.044 643 V CA -0.448 61.937 62.300 0.141 0.000 0.874 643 V CB 1.702 33.554 31.823 0.047 0.000 1.002 643 V HN 0.690 nan 8.190 nan 0.000 0.424 644 F N 7.514 127.536 119.950 0.120 0.000 2.347 644 F HA 0.596 5.123 4.527 -0.000 0.000 0.366 644 F C -0.398 175.566 175.800 0.272 0.000 1.107 644 F CA -1.365 56.747 58.000 0.187 0.000 1.058 644 F CB 1.210 40.199 39.000 -0.018 0.000 1.236 644 F HN 0.400 nan 8.300 nan 0.000 0.456 645 L N 8.555 130.150 121.223 0.621 0.000 2.315 645 L HA 0.311 4.651 4.340 -0.000 0.000 0.283 645 L C -1.936 175.217 176.870 0.472 0.000 1.089 645 L CA -1.755 53.327 54.840 0.403 0.000 0.833 645 L CB 0.663 42.887 42.059 0.276 0.000 1.170 645 L HN 0.416 nan 8.230 nan 0.000 0.442 646 P HA 0.052 nan 4.420 nan 0.000 0.275 646 P C -0.351 176.941 177.300 -0.013 0.000 1.228 646 P CA -0.003 63.021 63.100 -0.127 0.000 0.786 646 P CB 0.890 32.291 31.700 -0.499 0.000 0.927 647 D N -0.040 120.346 120.400 -0.024 0.000 2.846 647 D HA -0.217 4.423 4.640 -0.000 0.000 0.231 647 D C -0.790 175.565 176.300 0.092 0.000 1.102 647 D CA 0.371 54.369 54.000 -0.003 0.000 0.744 647 D CB -2.112 38.664 40.800 -0.039 0.000 1.092 647 D HN 0.401 nan 8.370 nan 0.000 0.437 648 Y N 0.832 121.178 120.300 0.076 0.000 2.810 648 Y HA 0.234 4.783 4.550 -0.000 0.000 0.332 648 Y C 0.921 176.845 175.900 0.040 0.000 1.243 648 Y CA 0.603 58.764 58.100 0.103 0.000 1.537 648 Y CB 0.111 38.652 38.460 0.135 0.000 1.265 648 Y HN 0.425 nan 8.280 nan 0.000 0.572 649 C N 2.891 121.863 119.300 -0.548 0.000 3.293 649 C HA 0.439 4.899 4.460 -0.000 0.000 0.362 649 C C 1.087 175.815 174.990 -0.435 0.000 1.539 649 C CA -0.449 58.308 59.018 -0.435 0.000 1.201 649 C CB 0.550 28.172 27.740 -0.197 0.000 1.770 649 C HN 0.632 nan 8.230 nan 0.000 0.440 650 V N 1.433 121.221 119.914 -0.211 0.000 2.324 650 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 650 V C 2.671 178.732 176.094 -0.056 0.000 1.060 650 V CA 3.012 65.277 62.300 -0.059 0.000 1.042 650 V CB -0.950 30.858 31.823 -0.024 0.000 0.650 650 V HN 0.953 nan 8.190 nan 0.000 0.450 651 S N -0.409 115.229 115.700 -0.103 0.000 2.399 651 S HA -0.109 4.360 4.470 -0.000 0.000 0.231 651 S C 2.100 176.633 174.600 -0.111 0.000 1.022 651 S CA 1.304 59.442 58.200 -0.103 0.000 0.983 651 S CB -0.294 62.855 63.200 -0.085 0.000 0.803 651 S HN 0.672 nan 8.310 nan 0.000 0.480 652 A N 1.174 123.950 122.820 -0.072 0.000 1.935 652 A HA 0.362 4.682 4.320 -0.000 0.000 0.214 652 A C 2.310 179.924 177.584 0.049 0.000 1.178 652 A CA 1.233 53.287 52.037 0.028 0.000 0.640 652 A CB -0.926 18.205 19.000 0.218 0.000 0.825 652 A HN 0.474 nan 8.150 nan 0.000 0.447 653 A N 0.263 123.089 122.820 0.010 0.000 1.908 653 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 653 A C 1.847 179.583 177.584 0.252 0.000 1.181 653 A CA 1.659 53.808 52.037 0.186 0.000 0.627 653 A CB -0.594 18.535 19.000 0.215 0.000 0.818 653 A HN 0.616 nan 8.150 nan 0.000 0.445 654 E N -0.496 119.823 120.200 0.198 0.000 2.209 654 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 654 E C 1.905 178.507 176.600 0.003 0.000 0.993 654 E CA 1.435 57.894 56.400 0.098 0.000 0.819 654 E CB -0.100 29.552 29.700 -0.080 0.000 0.745 654 E HN 0.634 nan 8.360 nan 0.000 0.477 655 K N 0.011 120.363 120.400 -0.081 0.000 2.168 655 K HA 0.053 4.372 4.320 -0.000 0.000 0.201 655 K C 2.084 178.700 176.600 0.027 0.000 1.049 655 K CA 0.231 56.442 56.287 -0.127 0.000 0.974 655 K CB 0.166 32.407 32.500 -0.432 0.000 0.792 655 K HN -0.017 nan 8.250 nan 0.000 0.463 656 L N 0.827 122.111 121.223 0.101 0.000 2.005 656 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 656 L C 2.261 179.216 176.870 0.142 0.000 1.072 656 L CA 1.250 56.187 54.840 0.160 0.000 0.744 656 L CB -0.441 41.744 42.059 0.211 0.000 0.895 656 L HN 0.118 nan 8.230 nan 0.000 0.433 657 I N -0.080 120.575 120.570 0.141 0.000 2.113 657 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 657 I C -0.422 175.755 176.117 0.099 0.000 1.064 657 I CA 1.774 63.142 61.300 0.114 0.000 1.320 657 I CB -1.256 36.824 38.000 0.133 0.000 1.028 657 I HN 0.220 nan 8.210 nan 0.000 0.406 658 P HA -0.113 nan 4.420 nan 0.000 0.225 658 P C 0.650 177.977 177.300 0.044 0.000 1.148 658 P CA 1.260 64.392 63.100 0.054 0.000 0.779 658 P CB 0.028 31.751 31.700 0.038 0.000 0.780 659 A N -1.367 121.508 122.820 0.092 0.000 2.348 659 A HA 0.543 4.862 4.320 -0.000 0.000 0.224 659 A C 1.049 178.719 177.584 0.143 0.000 1.227 659 A CA -0.066 52.037 52.037 0.110 0.000 0.885 659 A CB -0.517 18.630 19.000 0.244 0.000 0.933 659 A HN 0.175 nan 8.150 nan 0.000 0.506 660 A N -0.066 122.831 122.820 0.129 0.000 2.425 660 A HA 0.454 4.774 4.320 -0.000 0.000 0.249 660 A C 0.414 178.076 177.584 0.129 0.000 1.084 660 A CA -0.002 52.115 52.037 0.132 0.000 0.781 660 A CB 0.297 19.352 19.000 0.092 0.000 1.019 660 A HN 0.297 nan 8.150 nan 0.000 0.490 661 D N 0.370 120.853 120.400 0.138 0.000 2.615 661 D HA 0.155 4.795 4.640 -0.000 0.000 0.259 661 D C 0.050 176.533 176.300 0.305 0.000 0.999 661 D CA 0.871 55.019 54.000 0.247 0.000 0.938 661 D CB 0.283 41.120 40.800 0.061 0.000 1.121 661 D HN 0.355 nan 8.370 nan 0.000 0.487 662 I N 1.323 121.977 120.570 0.139 0.000 2.433 662 I HA 0.132 4.301 4.170 -0.000 0.000 0.292 662 I C -0.075 176.068 176.117 0.043 0.000 1.001 662 I CA -0.531 60.830 61.300 0.102 0.000 1.119 662 I CB 1.731 39.732 38.000 0.003 0.000 1.289 662 I HN -0.194 nan 8.210 nan 0.000 0.438 663 S N 6.760 122.496 115.700 0.060 0.000 2.474 663 S HA 0.338 4.808 4.470 -0.000 0.000 0.320 663 S C -0.184 174.436 174.600 0.033 0.000 1.067 663 S CA -0.659 57.557 58.200 0.026 0.000 1.127 663 S CB 0.495 63.708 63.200 0.021 0.000 0.971 663 S HN 0.433 nan 8.310 nan 0.000 0.472 664 E N 3.957 124.157 120.200 0.001 0.000 2.220 664 E HA 0.118 4.468 4.350 -0.000 0.000 0.272 664 E C -0.198 176.407 176.600 0.008 0.000 1.099 664 E CA 0.096 56.510 56.400 0.023 0.000 0.907 664 E CB 0.535 30.221 29.700 -0.023 0.000 1.022 664 E HN 0.683 nan 8.360 nan 0.000 0.428 665 Q N 2.928 122.758 119.800 0.050 0.000 3.230 665 Q HA 0.227 4.567 4.340 -0.000 0.000 0.303 665 Q C 0.745 176.767 176.000 0.038 0.000 0.884 665 Q CA -0.117 55.696 55.803 0.016 0.000 0.859 665 Q CB 0.089 28.825 28.738 -0.004 0.000 1.432 665 Q HN 0.592 nan 8.270 nan 0.000 0.403 666 I N -2.372 118.214 120.570 0.028 0.000 3.874 666 I HA 0.263 4.433 4.170 -0.000 0.000 0.331 666 I C 0.017 176.110 176.117 -0.040 0.000 1.489 666 I CA -0.428 60.880 61.300 0.013 0.000 1.187 666 I CB 0.334 38.302 38.000 -0.053 0.000 1.150 666 I HN -0.145 nan 8.210 nan 0.000 0.412 667 S N 1.249 116.938 115.700 -0.019 0.000 2.573 667 S HA 0.093 4.563 4.470 -0.000 0.000 0.277 667 S C 0.637 175.229 174.600 -0.014 0.000 1.346 667 S CA -0.237 57.980 58.200 0.029 0.000 1.034 667 S CB 0.444 63.699 63.200 0.092 0.000 0.879 667 S HN 0.433 nan 8.310 nan 0.000 0.528 668 T N 3.031 117.604 114.554 0.032 0.000 2.800 668 T HA 0.163 4.513 4.350 -0.000 0.000 0.283 668 T C 0.678 175.348 174.700 -0.050 0.000 0.999 668 T CA 0.078 62.191 62.100 0.022 0.000 1.176 668 T CB -0.178 68.790 68.868 0.167 0.000 0.973 668 T HN 0.787 nan 8.240 nan 0.000 0.519 669 A N 3.445 126.215 122.820 -0.083 0.000 2.550 669 A HA 0.423 4.743 4.320 -0.000 0.000 0.263 669 A C 1.646 179.183 177.584 -0.078 0.000 1.065 669 A CA 0.324 52.304 52.037 -0.095 0.000 0.786 669 A CB -1.007 17.937 19.000 -0.093 0.000 0.985 669 A HN 1.651 nan 8.150 nan 0.000 0.518 670 G N 2.205 110.952 108.800 -0.088 0.000 2.184 670 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.206 670 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.206 670 G C 0.738 175.551 174.900 -0.145 0.000 0.995 670 G CA 0.356 45.401 45.100 -0.090 0.000 0.651 670 G HN 0.622 nan 8.290 nan 0.000 0.511 671 K N -0.019 120.260 120.400 -0.202 0.000 2.358 671 K HA 0.286 4.606 4.320 -0.000 0.000 0.197 671 K C 0.200 176.543 176.600 -0.428 0.000 1.025 671 K CA 0.188 56.204 56.287 -0.451 0.000 1.104 671 K CB 0.949 32.999 32.500 -0.751 0.000 0.855 671 K HN 0.368 nan 8.250 nan 0.000 0.531 672 E N 0.076 120.162 120.200 -0.190 0.000 2.182 672 E HA 0.365 4.715 4.350 -0.000 0.000 0.258 672 E C -0.190 176.356 176.600 -0.091 0.000 0.879 672 E CA -0.225 56.117 56.400 -0.097 0.000 0.754 672 E CB 1.576 31.250 29.700 -0.044 0.000 1.162 672 E HN 0.048 nan 8.360 nan 0.000 0.419 673 A N 2.647 125.401 122.820 -0.110 0.000 2.169 673 A HA 0.138 4.458 4.320 -0.000 0.000 0.212 673 A C 1.410 178.903 177.584 -0.151 0.000 1.153 673 A CA 1.238 53.175 52.037 -0.165 0.000 0.756 673 A CB 0.173 18.913 19.000 -0.433 0.000 0.813 673 A HN 0.514 nan 8.150 nan 0.000 0.471 674 S N -2.816 112.822 115.700 -0.104 0.000 6.311 674 S HA 0.433 4.903 4.470 -0.000 0.000 0.100 674 S C 0.516 175.061 174.600 -0.093 0.000 1.196 674 S CA 1.361 59.510 58.200 -0.085 0.000 1.375 674 S CB -0.327 62.831 63.200 -0.071 0.000 1.972 674 S HN 2.182 nan 8.310 nan 0.000 0.578 675 G N 0.704 109.454 108.800 -0.084 0.000 3.039 675 G HA2 0.006 3.965 3.960 -0.000 0.000 0.686 675 G HA3 0.006 3.965 3.960 -0.000 0.000 0.686 675 G C 0.262 175.077 174.900 -0.142 0.000 1.066 675 G CA 0.520 45.561 45.100 -0.098 0.000 0.774 675 G HN 1.460 nan 8.290 nan 0.000 0.591 676 T N -0.446 114.018 114.554 -0.150 0.000 2.978 676 T HA 0.362 4.712 4.350 -0.000 0.000 0.248 676 T C 2.506 177.053 174.700 -0.255 0.000 1.018 676 T CA 1.265 63.247 62.100 -0.196 0.000 1.026 676 T CB 0.345 69.109 68.868 -0.173 0.000 1.032 676 T HN 1.765 nan 8.240 nan 0.000 0.485 677 G N 3.531 112.195 108.800 -0.227 0.000 2.476 677 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 677 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 677 G C 1.590 176.364 174.900 -0.210 0.000 1.164 677 G CA 1.443 46.401 45.100 -0.237 0.000 0.768 677 G HN 0.685 nan 8.290 nan 0.000 0.560 678 N N 1.011 119.603 118.700 -0.181 0.000 2.149 678 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 678 N C 2.076 177.470 175.510 -0.193 0.000 1.019 678 N CA 1.957 54.911 53.050 -0.160 0.000 0.857 678 N CB -0.717 37.681 38.487 -0.147 0.000 0.997 678 N HN 0.441 nan 8.380 nan 0.000 0.426 679 M N 0.315 119.744 119.600 -0.284 0.000 2.117 679 M HA -0.043 4.436 4.480 -0.000 0.000 0.262 679 M C 1.922 178.148 176.300 -0.124 0.000 1.065 679 M CA 1.575 56.692 55.300 -0.305 0.000 1.114 679 M CB -0.362 32.007 32.600 -0.384 0.000 1.361 679 M HN 0.162 nan 8.290 nan 0.000 0.408 680 K N 0.905 121.204 120.400 -0.169 0.000 2.001 680 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 680 K C 1.934 178.500 176.600 -0.057 0.000 1.048 680 K CA 1.167 57.374 56.287 -0.133 0.000 0.932 680 K CB -0.470 31.809 32.500 -0.368 0.000 0.715 680 K HN 0.222 nan 8.250 nan 0.000 0.437 681 L N 1.131 122.306 121.223 -0.080 0.000 2.042 681 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 681 L C 2.676 179.552 176.870 0.011 0.000 1.076 681 L CA 1.354 56.181 54.840 -0.022 0.000 0.749 681 L CB -0.662 41.382 42.059 -0.025 0.000 0.893 681 L HN 0.257 nan 8.230 nan 0.000 0.432 682 A N 0.177 122.995 122.820 -0.002 0.000 1.845 682 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 682 A C 2.238 179.856 177.584 0.057 0.000 1.195 682 A CA 1.615 53.667 52.037 0.026 0.000 0.616 682 A CB -0.926 18.085 19.000 0.019 0.000 0.832 682 A HN 0.335 nan 8.150 nan 0.000 0.443 683 L N -0.019 121.246 121.223 0.070 0.000 2.129 683 L HA -0.198 4.141 4.340 -0.000 0.000 0.212 683 L C 1.694 178.609 176.870 0.075 0.000 1.087 683 L CA 1.134 56.026 54.840 0.087 0.000 0.757 683 L CB -0.467 41.657 42.059 0.108 0.000 0.896 683 L HN 0.424 nan 8.230 nan 0.000 0.434 684 N N 0.055 118.793 118.700 0.064 0.000 2.370 684 N HA 0.038 4.778 4.740 -0.000 0.000 0.198 684 N C 0.937 176.472 175.510 0.041 0.000 1.156 684 N CA 0.886 53.962 53.050 0.043 0.000 0.839 684 N CB 0.616 39.134 38.487 0.052 0.000 0.989 684 N HN 0.423 nan 8.380 nan 0.000 0.468 685 G N 0.143 109.004 108.800 0.103 0.000 2.164 685 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.212 685 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.212 685 G C -0.126 174.855 174.900 0.135 0.000 1.031 685 G CA 0.041 45.240 45.100 0.166 0.000 0.730 685 G HN 0.488 nan 8.290 nan 0.000 0.501 686 A N -0.016 122.858 122.820 0.090 0.000 2.317 686 A HA 0.859 5.179 4.320 -0.000 0.000 0.327 686 A C 0.276 177.883 177.584 0.038 0.000 1.178 686 A CA -0.623 51.472 52.037 0.096 0.000 0.817 686 A CB 0.990 20.039 19.000 0.082 0.000 1.189 686 A HN 0.756 nan 8.150 nan 0.000 0.489 687 L N 1.685 122.922 121.223 0.023 0.000 2.326 687 L HA 0.360 4.700 4.340 -0.000 0.000 0.278 687 L C 0.284 177.232 176.870 0.131 0.000 1.092 687 L CA -0.275 54.561 54.840 -0.007 0.000 0.810 687 L CB 1.432 43.389 42.059 -0.171 0.000 1.153 687 L HN 0.677 nan 8.230 nan 0.000 0.439 688 T N 2.318 116.956 114.554 0.139 0.000 2.771 688 T HA 0.274 4.624 4.350 -0.000 0.000 0.291 688 T C 0.129 175.004 174.700 0.291 0.000 0.954 688 T CA -0.377 61.821 62.100 0.163 0.000 1.045 688 T CB 1.377 70.298 68.868 0.089 0.000 0.917 688 T HN 0.244 nan 8.240 nan 0.000 0.484 689 V N 4.106 124.170 119.914 0.250 0.000 2.218 689 V HA 0.521 4.641 4.120 -0.000 0.000 0.261 689 V C 0.891 177.226 176.094 0.402 0.000 1.142 689 V CA -0.502 61.990 62.300 0.321 0.000 0.965 689 V CB 0.056 31.983 31.823 0.173 0.000 1.190 689 V HN 1.006 nan 8.190 nan 0.000 0.478 690 G N 2.263 111.282 108.800 0.364 0.000 2.667 690 G HA2 0.711 4.670 3.960 -0.000 0.000 0.310 690 G HA3 0.711 4.670 3.960 -0.000 0.000 0.310 690 G C -0.065 174.827 174.900 -0.013 0.000 1.259 690 G CA -0.226 44.998 45.100 0.207 0.000 1.019 690 G HN 0.525 nan 8.290 nan 0.000 0.496 691 T N -2.062 112.354 114.554 -0.230 0.000 2.912 691 T HA 0.455 4.805 4.350 -0.000 0.000 0.280 691 T C 0.638 175.219 174.700 -0.198 0.000 0.989 691 T CA -0.777 61.070 62.100 -0.421 0.000 0.995 691 T CB 1.361 69.978 68.868 -0.417 0.000 1.077 691 T HN 0.289 nan 8.240 nan 0.000 0.531 692 L N 1.602 122.717 121.223 -0.181 0.000 2.821 692 L HA 0.321 4.661 4.340 -0.000 0.000 0.239 692 L C -0.314 176.510 176.870 -0.076 0.000 1.391 692 L CA 0.204 54.985 54.840 -0.098 0.000 1.231 692 L CB -1.158 40.856 42.059 -0.074 0.000 1.598 692 L HN 0.790 nan 8.230 nan 0.000 0.428 693 D N -0.941 119.412 120.400 -0.078 0.000 2.579 693 D HA 0.635 5.275 4.640 -0.000 0.000 0.257 693 D C 0.392 176.659 176.300 -0.054 0.000 1.176 693 D CA 0.695 54.659 54.000 -0.061 0.000 0.914 693 D CB 1.774 42.530 40.800 -0.074 0.000 1.431 693 D HN 0.225 nan 8.370 nan 0.000 0.454 694 G N 0.110 108.883 108.800 -0.044 0.000 2.564 694 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.273 694 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.273 694 G C 0.990 175.863 174.900 -0.045 0.000 1.242 694 G CA 0.827 45.897 45.100 -0.050 0.000 0.951 694 G HN 1.254 nan 8.290 nan 0.000 0.564 695 A N -0.487 122.285 122.820 -0.079 0.000 2.168 695 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 695 A C 2.142 179.669 177.584 -0.095 0.000 1.152 695 A CA 1.981 53.951 52.037 -0.113 0.000 0.716 695 A CB -0.476 18.362 19.000 -0.270 0.000 0.794 695 A HN 0.653 nan 8.150 nan 0.000 0.465 696 N N 0.682 119.338 118.700 -0.074 0.000 2.061 696 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 696 N C 1.733 177.237 175.510 -0.009 0.000 1.030 696 N CA 1.737 54.761 53.050 -0.044 0.000 0.856 696 N CB -0.735 37.727 38.487 -0.041 0.000 1.023 696 N HN 0.276 nan 8.380 nan 0.000 0.424 697 V N 1.856 121.766 119.914 -0.006 0.000 2.215 697 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 697 V C 2.311 178.435 176.094 0.050 0.000 1.054 697 V CA 1.809 64.117 62.300 0.013 0.000 1.012 697 V CB -0.653 31.177 31.823 0.011 0.000 0.639 697 V HN 0.309 nan 8.190 nan 0.000 0.448 698 E N -0.167 120.089 120.200 0.093 0.000 2.068 698 E HA -0.271 4.079 4.350 -0.000 0.000 0.207 698 E C 2.142 178.880 176.600 0.230 0.000 1.032 698 E CA 2.339 58.857 56.400 0.197 0.000 0.839 698 E CB -0.454 29.471 29.700 0.375 0.000 0.758 698 E HN 0.641 nan 8.360 nan 0.000 0.457 699 I N 0.929 121.648 120.570 0.249 0.000 2.151 699 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 699 I C 2.592 178.768 176.117 0.097 0.000 1.080 699 I CA 1.354 62.782 61.300 0.214 0.000 1.339 699 I CB -0.421 37.624 38.000 0.075 0.000 1.039 699 I HN 0.053 nan 8.210 nan 0.000 0.409 700 A N 0.404 123.254 122.820 0.051 0.000 1.933 700 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 700 A C 2.388 179.976 177.584 0.007 0.000 1.175 700 A CA 2.030 54.075 52.037 0.013 0.000 0.628 700 A CB -0.661 18.341 19.000 0.005 0.000 0.814 700 A HN 0.605 nan 8.150 nan 0.000 0.444 701 E N -0.157 120.057 120.200 0.023 0.000 2.072 701 E HA -0.214 4.135 4.350 -0.000 0.000 0.190 701 E C 1.550 178.149 176.600 -0.002 0.000 0.982 701 E CA 1.231 57.635 56.400 0.006 0.000 0.803 701 E CB -0.188 29.517 29.700 0.009 0.000 0.755 701 E HN 0.403 nan 8.360 nan 0.000 0.453 702 K N 1.092 121.500 120.400 0.013 0.000 1.984 702 K HA -0.107 4.212 4.320 -0.000 0.000 0.209 702 K C 2.522 179.111 176.600 -0.020 0.000 1.046 702 K CA 1.594 57.872 56.287 -0.015 0.000 0.934 702 K CB -1.236 31.247 32.500 -0.027 0.000 0.717 702 K HN 0.328 nan 8.250 nan 0.000 0.438 703 V N -1.432 118.477 119.914 -0.007 0.000 2.427 703 V HA 0.136 4.256 4.120 -0.000 0.000 0.248 703 V C 0.906 176.965 176.094 -0.058 0.000 1.051 703 V CA 1.289 63.570 62.300 -0.032 0.000 1.048 703 V CB -1.091 30.713 31.823 -0.032 0.000 0.666 703 V HN 0.468 nan 8.190 nan 0.000 0.456 704 G N 0.709 109.476 108.800 -0.054 0.000 2.885 704 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.685 704 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.685 704 G C -0.155 174.691 174.900 -0.090 0.000 1.216 704 G CA 0.206 45.265 45.100 -0.068 0.000 0.790 704 G HN 0.876 nan 8.290 nan 0.000 0.631 705 E N 1.188 121.340 120.200 -0.081 0.000 2.118 705 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 705 E C 1.771 178.284 176.600 -0.146 0.000 0.992 705 E CA 2.232 58.575 56.400 -0.095 0.000 0.804 705 E CB -0.206 29.456 29.700 -0.063 0.000 0.741 705 E HN 0.671 nan 8.360 nan 0.000 0.458 706 E N 1.008 121.129 120.200 -0.131 0.000 2.171 706 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 706 E C 0.872 177.326 176.600 -0.242 0.000 0.997 706 E CA 1.343 57.648 56.400 -0.158 0.000 0.810 706 E CB -0.317 29.317 29.700 -0.111 0.000 0.738 706 E HN 0.354 nan 8.360 nan 0.000 0.467 707 N N 0.118 118.681 118.700 -0.230 0.000 2.279 707 N HA 0.225 4.965 4.740 -0.000 0.000 0.226 707 N C -0.392 174.932 175.510 -0.310 0.000 1.126 707 N CA 0.062 52.950 53.050 -0.270 0.000 0.846 707 N CB 0.949 39.325 38.487 -0.185 0.000 1.050 707 N HN 0.186 nan 8.380 nan 0.000 0.502 708 I N -0.673 119.670 120.570 -0.378 0.000 2.827 708 I HA 0.341 4.511 4.170 -0.000 0.000 0.298 708 I C -1.342 174.521 176.117 -0.423 0.000 1.235 708 I CA -0.866 60.245 61.300 -0.315 0.000 1.021 708 I CB 1.743 39.671 38.000 -0.120 0.000 1.259 708 I HN -0.251 nan 8.210 nan 0.000 0.427 709 F N 7.494 127.469 119.950 0.041 0.000 2.387 709 F HA 0.398 4.924 4.527 -0.001 0.000 0.332 709 F C -0.022 175.885 175.800 0.178 0.000 1.174 709 F CA -0.523 57.533 58.000 0.094 0.000 1.257 709 F CB 0.141 39.196 39.000 0.092 0.000 1.569 709 F HN 0.057 nan 8.300 nan 0.000 0.554 710 I N 3.966 124.671 120.570 0.225 0.000 2.379 710 I HA 0.121 4.291 4.170 -0.000 0.000 0.290 710 I C 0.073 176.330 176.117 0.232 0.000 1.063 710 I CA -0.310 61.097 61.300 0.180 0.000 1.351 710 I CB -0.491 37.541 38.000 0.054 0.000 1.410 710 I HN 0.292 nan 8.210 nan 0.000 0.505 711 F N 4.291 124.287 119.950 0.077 0.000 2.746 711 F HA 0.952 5.480 4.527 0.001 0.000 0.378 711 F C 0.477 176.285 175.800 0.012 0.000 1.165 711 F CA -0.655 57.380 58.000 0.058 0.000 1.089 711 F CB 0.595 39.660 39.000 0.109 0.000 1.439 711 F HN 0.682 nan 8.300 nan 0.000 0.516 712 G N 0.087 108.849 108.800 -0.063 0.000 2.760 712 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.246 712 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.246 712 G C -1.507 173.256 174.900 -0.230 0.000 1.359 712 G CA -0.560 44.404 45.100 -0.226 0.000 0.861 712 G HN 1.194 nan 8.290 nan 0.000 0.541 713 H N 0.908 119.926 119.070 -0.086 0.000 2.767 713 H HA 0.484 5.039 4.556 -0.001 0.000 0.316 713 H C 1.531 176.799 175.328 -0.100 0.000 1.059 713 H CA 0.685 56.692 56.048 -0.067 0.000 1.461 713 H CB 0.820 30.529 29.762 -0.087 0.000 1.475 713 H HN 0.888 nan 8.280 nan 0.000 0.531 714 T N -0.239 114.337 114.554 0.037 0.000 2.680 714 T HA -0.040 4.310 4.350 -0.000 0.000 0.314 714 T C 1.716 176.408 174.700 -0.014 0.000 1.045 714 T CA -0.426 61.666 62.100 -0.013 0.000 1.025 714 T CB 0.484 69.349 68.868 -0.005 0.000 1.000 714 T HN 0.316 nan 8.240 nan 0.000 0.535 715 V N 1.733 121.626 119.914 -0.035 0.000 2.231 715 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 715 V C 2.906 178.977 176.094 -0.038 0.000 1.058 715 V CA 2.155 64.429 62.300 -0.043 0.000 1.022 715 V CB -0.870 30.927 31.823 -0.043 0.000 0.640 715 V HN 0.799 nan 8.190 nan 0.000 0.445 716 K N -0.101 120.284 120.400 -0.025 0.000 2.057 716 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 716 K C 2.196 178.783 176.600 -0.022 0.000 1.049 716 K CA 1.391 57.664 56.287 -0.023 0.000 0.931 716 K CB -0.672 31.820 32.500 -0.013 0.000 0.714 716 K HN 0.618 nan 8.250 nan 0.000 0.440 717 Q N 0.344 120.144 119.800 0.000 0.000 2.045 717 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 717 Q C 2.122 178.069 176.000 -0.089 0.000 0.991 717 Q CA 1.834 57.641 55.803 0.007 0.000 0.851 717 Q CB -0.475 28.334 28.738 0.118 0.000 0.911 717 Q HN 0.046 nan 8.270 nan 0.000 0.418 718 V N 1.668 121.527 119.914 -0.091 0.000 2.231 718 V HA -0.354 3.766 4.120 -0.000 0.000 0.250 718 V C 2.241 178.234 176.094 -0.168 0.000 1.058 718 V CA 2.204 64.396 62.300 -0.180 0.000 1.022 718 V CB -0.759 30.987 31.823 -0.128 0.000 0.640 718 V HN 0.351 nan 8.190 nan 0.000 0.445 719 K N 0.128 120.465 120.400 -0.105 0.000 2.015 719 K HA -0.308 4.012 4.320 -0.000 0.000 0.220 719 K C 2.350 178.904 176.600 -0.077 0.000 1.055 719 K CA 1.998 58.235 56.287 -0.083 0.000 0.951 719 K CB -0.706 31.761 32.500 -0.056 0.000 0.725 719 K HN 0.500 nan 8.250 nan 0.000 0.449 720 A N 1.392 124.176 122.820 -0.060 0.000 1.892 720 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 720 A C 2.205 179.764 177.584 -0.042 0.000 1.188 720 A CA 1.797 53.812 52.037 -0.037 0.000 0.631 720 A CB -0.777 18.213 19.000 -0.018 0.000 0.822 720 A HN 0.275 nan 8.150 nan 0.000 0.447 721 I N -0.430 120.085 120.570 -0.092 0.000 2.208 721 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 721 I C 2.287 178.370 176.117 -0.056 0.000 1.097 721 I CA 1.371 62.616 61.300 -0.091 0.000 1.363 721 I CB -0.261 37.566 38.000 -0.287 0.000 1.051 721 I HN 0.304 nan 8.210 nan 0.000 0.413 722 L N -0.103 121.052 121.223 -0.113 0.000 2.240 722 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 722 L C 2.696 179.558 176.870 -0.013 0.000 1.106 722 L CA 0.814 55.623 54.840 -0.051 0.000 0.793 722 L CB -0.633 41.366 42.059 -0.099 0.000 0.927 722 L HN 0.198 nan 8.230 nan 0.000 0.446 723 A N 0.332 123.138 122.820 -0.024 0.000 1.929 723 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 723 A C 1.982 179.571 177.584 0.010 0.000 1.176 723 A CA 1.087 53.118 52.037 -0.010 0.000 0.628 723 A CB -0.155 18.835 19.000 -0.016 0.000 0.816 723 A HN 0.298 nan 8.150 nan 0.000 0.444 724 K N -0.347 120.065 120.400 0.020 0.000 2.469 724 K HA 0.334 4.654 4.320 -0.000 0.000 0.201 724 K C 0.133 176.771 176.600 0.064 0.000 1.028 724 K CA 0.360 56.670 56.287 0.038 0.000 1.170 724 K CB -0.135 32.389 32.500 0.039 0.000 0.874 724 K HN 0.603 nan 8.250 nan 0.000 0.507 725 G N 2.231 111.077 108.800 0.076 0.000 2.929 725 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.335 725 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.335 725 G C -1.318 173.691 174.900 0.183 0.000 1.054 725 G CA -0.802 44.358 45.100 0.101 0.000 1.067 725 G HN 0.301 nan 8.290 nan 0.000 0.472 726 Y N 2.644 122.961 120.300 0.029 0.000 2.353 726 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 726 Y C -0.299 175.641 175.900 0.066 0.000 0.972 726 Y CA -1.774 56.357 58.100 0.050 0.000 1.157 726 Y CB 1.833 40.278 38.460 -0.025 0.000 1.157 726 Y HN 0.481 nan 8.280 nan 0.000 0.495 727 D N 8.758 129.028 120.400 -0.217 0.000 2.414 727 D HA 0.365 5.005 4.640 -0.000 0.000 0.232 727 D C -2.188 173.857 176.300 -0.423 0.000 1.070 727 D CA -2.610 51.225 54.000 -0.276 0.000 0.839 727 D CB 2.193 42.959 40.800 -0.056 0.000 1.079 727 D HN 0.298 nan 8.370 nan 0.000 0.521 728 P HA -0.083 nan 4.420 nan 0.000 0.221 728 P C 1.548 178.844 177.300 -0.008 0.000 1.155 728 P CA 0.463 63.327 63.100 -0.393 0.000 0.812 728 P CB 0.098 31.604 31.700 -0.324 0.000 0.801 729 V N -0.520 119.381 119.914 -0.021 0.000 2.515 729 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 729 V C 2.452 178.583 176.094 0.062 0.000 1.058 729 V CA 1.886 64.202 62.300 0.027 0.000 1.064 729 V CB -1.409 30.418 31.823 0.006 0.000 0.675 729 V HN -0.037 nan 8.190 nan 0.000 0.461 730 K N -0.573 119.865 120.400 0.063 0.000 2.015 730 K HA -0.255 4.065 4.320 -0.000 0.000 0.216 730 K C 1.851 178.469 176.600 0.030 0.000 1.052 730 K CA 2.745 59.042 56.287 0.017 0.000 0.937 730 K CB -0.545 31.942 32.500 -0.022 0.000 0.719 730 K HN 0.647 nan 8.250 nan 0.000 0.446 731 W N 0.839 122.143 121.300 0.008 0.000 2.311 731 W HA -0.203 4.456 4.660 -0.002 0.000 0.326 731 W C 2.609 179.138 176.519 0.017 0.000 1.239 731 W CA 1.966 59.344 57.345 0.055 0.000 1.258 731 W CB -0.943 28.590 29.460 0.120 0.000 1.165 731 W HN 0.251 nan 8.180 nan 0.000 0.466 732 R N 0.741 121.383 120.500 0.237 0.000 2.196 732 R HA -0.292 4.048 4.340 -0.000 0.000 0.244 732 R C 2.144 178.471 176.300 0.046 0.000 1.121 732 R CA 2.661 58.811 56.100 0.083 0.000 0.930 732 R CB -0.482 29.842 30.300 0.040 0.000 0.890 732 R HN -0.020 nan 8.270 nan 0.000 0.435 733 K N 0.305 120.729 120.400 0.040 0.000 2.097 733 K HA -0.100 4.219 4.320 -0.000 0.000 0.206 733 K C 2.005 178.613 176.600 0.013 0.000 1.049 733 K CA 1.034 57.331 56.287 0.016 0.000 0.933 733 K CB -0.181 32.323 32.500 0.007 0.000 0.717 733 K HN 0.192 nan 8.250 nan 0.000 0.442 734 K N 1.243 121.651 120.400 0.012 0.000 2.103 734 K HA -0.097 4.222 4.320 -0.000 0.000 0.207 734 K C 0.574 177.196 176.600 0.038 0.000 1.048 734 K CA 0.759 57.046 56.287 0.000 0.000 0.930 734 K CB -0.390 32.078 32.500 -0.053 0.000 0.716 734 K HN 0.161 nan 8.250 nan 0.000 0.444 735 D N 0.372 120.813 120.400 0.069 0.000 2.274 735 D HA 0.102 4.741 4.640 -0.000 0.000 0.239 735 D C 0.473 176.801 176.300 0.047 0.000 1.104 735 D CA -0.034 54.019 54.000 0.089 0.000 0.840 735 D CB 1.248 42.133 40.800 0.142 0.000 1.100 735 D HN -0.205 nan 8.370 nan 0.000 0.477 736 K N 1.821 122.253 120.400 0.054 0.000 2.103 736 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 736 K C 1.814 178.436 176.600 0.036 0.000 1.052 736 K CA 0.637 56.946 56.287 0.036 0.000 0.945 736 K CB 0.219 32.740 32.500 0.035 0.000 0.722 736 K HN 0.234 nan 8.250 nan 0.000 0.443 737 V N 0.972 120.931 119.914 0.076 0.000 2.346 737 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 737 V C 1.987 178.089 176.094 0.013 0.000 1.037 737 V CA 0.985 63.343 62.300 0.097 0.000 1.029 737 V CB -0.397 31.544 31.823 0.196 0.000 0.663 737 V HN 0.207 nan 8.190 nan 0.000 0.454 738 L N 1.249 122.392 121.223 -0.132 0.000 1.951 738 L HA -0.276 4.064 4.340 -0.000 0.000 0.222 738 L C 2.254 178.977 176.870 -0.244 0.000 1.078 738 L CA 2.810 57.311 54.840 -0.565 0.000 0.778 738 L CB -1.214 40.456 42.059 -0.648 0.000 0.893 738 L HN 0.511 nan 8.230 nan 0.000 0.436 739 D N -0.931 119.394 120.400 -0.124 0.000 2.160 739 D HA -0.266 4.374 4.640 -0.000 0.000 0.189 739 D C 2.006 178.290 176.300 -0.027 0.000 1.003 739 D CA 2.165 56.133 54.000 -0.052 0.000 0.846 739 D CB -0.293 40.496 40.800 -0.019 0.000 0.949 739 D HN 0.515 nan 8.370 nan 0.000 0.446 740 A N -0.244 122.568 122.820 -0.012 0.000 1.883 740 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 740 A C 2.664 180.259 177.584 0.020 0.000 1.186 740 A CA 1.837 53.878 52.037 0.006 0.000 0.624 740 A CB -0.968 18.040 19.000 0.013 0.000 0.822 740 A HN 0.253 nan 8.150 nan 0.000 0.444 741 V N -0.217 119.707 119.914 0.015 0.000 2.407 741 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 741 V C 2.393 178.516 176.094 0.048 0.000 1.055 741 V CA 1.640 63.969 62.300 0.048 0.000 1.049 741 V CB -0.564 31.297 31.823 0.064 0.000 0.662 741 V HN 0.484 nan 8.190 nan 0.000 0.455 742 L N -0.423 120.802 121.223 0.003 0.000 2.291 742 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 742 L C 2.213 179.119 176.870 0.061 0.000 1.120 742 L CA 1.606 56.461 54.840 0.025 0.000 0.799 742 L CB -1.136 40.924 42.059 0.002 0.000 0.925 742 L HN 0.345 nan 8.230 nan 0.000 0.446 743 K N -0.420 120.009 120.400 0.050 0.000 2.062 743 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 743 K C 1.930 178.574 176.600 0.072 0.000 1.051 743 K CA 1.039 57.357 56.287 0.051 0.000 0.941 743 K CB -0.002 32.515 32.500 0.028 0.000 0.719 743 K HN 0.290 nan 8.250 nan 0.000 0.440 744 E N 0.934 121.192 120.200 0.097 0.000 2.097 744 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 744 E C 1.909 178.654 176.600 0.243 0.000 1.000 744 E CA 1.203 57.686 56.400 0.139 0.000 0.804 744 E CB -0.089 29.775 29.700 0.273 0.000 0.740 744 E HN 0.210 nan 8.360 nan 0.000 0.454 745 L N 0.445 121.841 121.223 0.289 0.000 2.156 745 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 745 L C 2.173 179.239 176.870 0.326 0.000 1.095 745 L CA 0.934 55.995 54.840 0.367 0.000 0.770 745 L CB -0.165 42.008 42.059 0.190 0.000 0.914 745 L HN 0.105 nan 8.230 nan 0.000 0.439 746 E N -0.375 119.937 120.200 0.186 0.000 2.216 746 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 746 E C 2.192 178.826 176.600 0.057 0.000 0.988 746 E CA 1.106 57.581 56.400 0.123 0.000 0.834 746 E CB 0.117 29.875 29.700 0.096 0.000 0.772 746 E HN 0.427 nan 8.360 nan 0.000 0.479 747 S N -0.746 114.981 115.700 0.045 0.000 2.522 747 S HA 0.057 4.526 4.470 -0.000 0.000 0.227 747 S C 1.614 176.183 174.600 -0.052 0.000 0.986 747 S CA 0.583 58.773 58.200 -0.016 0.000 0.929 747 S CB 0.250 63.431 63.200 -0.031 0.000 0.769 747 S HN 0.329 nan 8.310 nan 0.000 0.529 748 G N 1.573 110.353 108.800 -0.034 0.000 2.136 748 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.242 748 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.242 748 G C 0.647 175.499 174.900 -0.080 0.000 0.989 748 G CA 0.525 45.577 45.100 -0.080 0.000 0.682 748 G HN 0.551 nan 8.290 nan 0.000 0.522 749 K N -0.748 119.581 120.400 -0.119 0.000 2.057 749 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 749 K C 1.402 177.806 176.600 -0.326 0.000 1.050 749 K CA 1.461 57.570 56.287 -0.297 0.000 0.935 749 K CB -0.104 32.064 32.500 -0.553 0.000 0.715 749 K HN 0.526 nan 8.250 nan 0.000 0.439 750 Y N 0.009 120.365 120.300 0.093 0.000 2.532 750 Y HA 0.133 4.683 4.550 -0.000 0.000 0.283 750 Y C 0.511 176.451 175.900 0.067 0.000 1.181 750 Y CA -0.258 57.898 58.100 0.093 0.000 1.256 750 Y CB 0.640 39.167 38.460 0.111 0.000 1.112 750 Y HN 0.017 nan 8.280 nan 0.000 0.521 751 S N -1.809 113.923 115.700 0.053 0.000 2.901 751 S HA 0.105 4.575 4.470 -0.000 0.000 0.248 751 S C -0.544 174.011 174.600 -0.076 0.000 1.021 751 S CA -0.675 57.463 58.200 -0.102 0.000 1.090 751 S CB -0.332 62.639 63.200 -0.381 0.000 1.039 751 S HN 0.324 nan 8.310 nan 0.000 0.514 752 D N 1.831 122.206 120.400 -0.043 0.000 2.704 752 D HA -0.213 4.427 4.640 -0.000 0.000 0.232 752 D C 1.247 177.511 176.300 -0.061 0.000 1.183 752 D CA 1.688 55.663 54.000 -0.043 0.000 0.647 752 D CB -1.456 39.330 40.800 -0.024 0.000 1.013 752 D HN 0.970 nan 8.370 nan 0.000 0.415 753 G N 0.803 109.556 108.800 -0.079 0.000 2.729 753 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.216 753 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.216 753 G C 0.167 174.993 174.900 -0.123 0.000 1.252 753 G CA 0.193 45.239 45.100 -0.089 0.000 0.751 753 G HN 0.526 nan 8.290 nan 0.000 0.527 754 D N 2.342 122.669 120.400 -0.122 0.000 2.503 754 D HA 0.173 4.813 4.640 -0.000 0.000 0.280 754 D C 1.543 177.708 176.300 -0.225 0.000 1.405 754 D CA 0.473 54.378 54.000 -0.158 0.000 1.049 754 D CB 0.105 40.837 40.800 -0.113 0.000 1.127 754 D HN 0.587 nan 8.370 nan 0.000 0.551 755 K N 2.241 122.463 120.400 -0.297 0.000 2.555 755 K HA -0.075 4.245 4.320 -0.000 0.000 0.193 755 K C 0.610 177.056 176.600 -0.256 0.000 1.032 755 K CA 0.472 56.585 56.287 -0.290 0.000 1.004 755 K CB 0.316 32.613 32.500 -0.339 0.000 0.804 755 K HN 0.465 nan 8.250 nan 0.000 0.496 756 H N -1.118 117.885 119.070 -0.111 0.000 2.755 756 H HA 0.274 4.830 4.556 -0.000 0.000 0.273 756 H C 1.649 176.881 175.328 -0.160 0.000 1.055 756 H CA 0.063 56.050 56.048 -0.101 0.000 1.191 756 H CB 0.395 30.125 29.762 -0.054 0.000 1.536 756 H HN 0.160 nan 8.280 nan 0.000 0.529 757 A N 0.908 123.610 122.820 -0.196 0.000 1.892 757 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 757 A C 0.849 178.304 177.584 -0.215 0.000 1.188 757 A CA 1.394 53.257 52.037 -0.290 0.000 0.631 757 A CB -0.780 17.814 19.000 -0.676 0.000 0.822 757 A HN 0.184 nan 8.150 nan 0.000 0.447 758 F N 0.115 120.121 119.950 0.093 0.000 2.916 758 F HA 0.271 4.798 4.527 -0.000 0.000 0.294 758 F C 0.825 176.594 175.800 -0.051 0.000 1.189 758 F CA -1.025 57.002 58.000 0.045 0.000 1.369 758 F CB -0.337 38.668 39.000 0.009 0.000 0.961 758 F HN 0.073 nan 8.300 nan 0.000 0.508 759 D N 0.275 120.661 120.400 -0.025 0.000 2.117 759 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 759 D C 2.090 178.142 176.300 -0.413 0.000 0.982 759 D CA 1.239 55.022 54.000 -0.361 0.000 0.828 759 D CB 0.047 40.626 40.800 -0.368 0.000 0.967 759 D HN 0.367 nan 8.370 nan 0.000 0.464 760 Q N -0.126 119.611 119.800 -0.105 0.000 2.045 760 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 760 Q C 2.264 178.284 176.000 0.033 0.000 0.991 760 Q CA 1.271 57.076 55.803 0.004 0.000 0.851 760 Q CB -0.269 28.506 28.738 0.061 0.000 0.911 760 Q HN 0.352 nan 8.270 nan 0.000 0.418 761 M N 0.405 120.032 119.600 0.046 0.000 2.065 761 M HA -0.216 4.263 4.480 -0.000 0.000 0.259 761 M C 1.877 178.238 176.300 0.102 0.000 1.071 761 M CA 1.449 56.784 55.300 0.058 0.000 1.109 761 M CB -0.080 32.553 32.600 0.056 0.000 1.313 761 M HN 0.165 nan 8.290 nan 0.000 0.408 762 L N 0.368 121.635 121.223 0.073 0.000 2.081 762 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 762 L C 2.559 179.531 176.870 0.170 0.000 1.080 762 L CA 1.847 56.745 54.840 0.096 0.000 0.754 762 L CB -1.634 40.469 42.059 0.074 0.000 0.893 762 L HN 0.430 nan 8.230 nan 0.000 0.433 763 H N -1.400 117.732 119.070 0.103 0.000 2.428 763 H HA 0.009 4.565 4.556 -0.001 0.000 0.296 763 H C 2.398 177.778 175.328 0.086 0.000 1.062 763 H CA 1.214 57.309 56.048 0.078 0.000 1.350 763 H CB -0.540 29.259 29.762 0.061 0.000 1.403 763 H HN 0.435 nan 8.280 nan 0.000 0.533 764 S N 1.071 116.907 115.700 0.227 0.000 2.402 764 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 764 S C 1.827 176.543 174.600 0.192 0.000 1.021 764 S CA 1.036 59.356 58.200 0.200 0.000 0.974 764 S CB -0.822 62.504 63.200 0.209 0.000 0.800 764 S HN 0.534 nan 8.310 nan 0.000 0.484 765 I N -0.765 119.924 120.570 0.198 0.000 3.826 765 I HA 0.265 4.435 4.170 -0.000 0.000 0.319 765 I C 1.092 177.267 176.117 0.098 0.000 1.394 765 I CA -0.407 60.990 61.300 0.162 0.000 1.197 765 I CB -0.766 37.333 38.000 0.165 0.000 1.096 765 I HN 0.065 nan 8.210 nan 0.000 0.409 766 Q N 1.109 120.895 119.800 -0.024 0.000 1.796 766 Q HA -0.326 4.013 4.340 -0.000 0.000 0.169 766 Q C 1.726 177.733 176.000 0.012 0.000 2.933 766 Q CA 2.491 58.273 55.803 -0.035 0.000 0.266 766 Q CB -1.863 26.820 28.738 -0.091 0.000 0.279 766 Q HN 0.791 nan 8.270 nan 0.000 0.374 767 G N -1.204 107.628 108.800 0.054 0.000 2.744 767 G HA2 0.325 4.285 3.960 -0.000 0.000 0.211 767 G HA3 0.325 4.285 3.960 -0.000 0.000 0.211 767 G C 0.953 175.880 174.900 0.045 0.000 1.146 767 G CA 0.888 46.029 45.100 0.069 0.000 0.787 767 G HN 0.926 nan 8.290 nan 0.000 0.534 768 G N 0.560 109.375 108.800 0.024 0.000 2.168 768 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 768 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 768 G C 0.242 175.155 174.900 0.021 0.000 0.997 768 G CA 0.962 46.059 45.100 -0.006 0.000 0.708 768 G HN 1.111 nan 8.290 nan 0.000 0.520 769 D N -0.818 119.621 120.400 0.065 0.000 3.091 769 D HA -0.151 4.489 4.640 -0.000 0.000 0.215 769 D C -0.089 176.287 176.300 0.125 0.000 1.214 769 D CA 1.050 55.127 54.000 0.128 0.000 0.870 769 D CB 0.075 40.957 40.800 0.137 0.000 0.874 769 D HN 0.379 nan 8.370 nan 0.000 0.393 770 P HA -0.106 nan 4.420 nan 0.000 0.233 770 P C 0.577 177.479 177.300 -0.663 0.000 1.167 770 P CA 0.874 63.755 63.100 -0.364 0.000 0.770 770 P CB -0.025 31.366 31.700 -0.514 0.000 0.837 771 Y N -0.574 119.787 120.300 0.103 0.000 2.555 771 Y HA 0.281 4.830 4.550 -0.001 0.000 0.259 771 Y C 1.436 177.320 175.900 -0.027 0.000 1.179 771 Y CA -0.634 57.501 58.100 0.058 0.000 1.230 771 Y CB -0.124 38.429 38.460 0.156 0.000 1.146 771 Y HN -0.308 nan 8.280 nan 0.000 0.526 772 L N -0.780 120.431 121.223 -0.020 0.000 3.843 772 L HA -0.342 3.998 4.340 -0.000 0.000 0.411 772 L C 1.349 178.202 176.870 -0.029 0.000 1.205 772 L CA 0.168 54.918 54.840 -0.150 0.000 0.945 772 L CB -2.271 39.581 42.059 -0.345 0.000 1.929 772 L HN 0.192 nan 8.230 nan 0.000 0.934 773 V N -0.570 119.364 119.914 0.032 0.000 2.250 773 V HA -0.392 3.727 4.120 -0.000 0.000 0.250 773 V C 2.530 178.686 176.094 0.103 0.000 1.060 773 V CA 2.694 65.003 62.300 0.016 0.000 1.030 773 V CB -0.270 31.491 31.823 -0.104 0.000 0.643 773 V HN 0.465 nan 8.190 nan 0.000 0.445 774 M N -0.378 119.268 119.600 0.078 0.000 2.108 774 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 774 M C 2.322 178.675 176.300 0.088 0.000 1.066 774 M CA 2.373 57.731 55.300 0.097 0.000 1.107 774 M CB -1.592 31.052 32.600 0.075 0.000 1.356 774 M HN 0.436 nan 8.290 nan 0.000 0.406 775 A N -0.554 122.122 122.820 -0.240 0.000 1.970 775 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 775 A C 1.826 179.434 177.584 0.039 0.000 1.170 775 A CA 1.499 53.129 52.037 -0.679 0.000 0.645 775 A CB -0.426 17.745 19.000 -1.382 0.000 0.816 775 A HN 0.372 nan 8.150 nan 0.000 0.447 776 D N -1.705 118.781 120.400 0.142 0.000 2.333 776 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 776 D C 1.320 177.833 176.300 0.354 0.000 0.984 776 D CA 0.033 54.189 54.000 0.259 0.000 0.873 776 D CB -0.256 40.685 40.800 0.236 0.000 0.935 776 D HN 0.389 nan 8.370 nan 0.000 0.521 777 F N 2.314 122.390 119.950 0.209 0.000 2.045 777 F HA -0.381 4.146 4.527 -0.001 0.000 0.297 777 F C 2.157 178.076 175.800 0.198 0.000 1.114 777 F CA 2.386 60.517 58.000 0.217 0.000 1.207 777 F CB -0.285 38.817 39.000 0.170 0.000 0.964 777 F HN -0.004 nan 8.300 nan 0.000 0.486 778 A N 0.219 123.266 122.820 0.378 0.000 1.858 778 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 778 A C 2.419 180.046 177.584 0.072 0.000 1.190 778 A CA 2.229 54.390 52.037 0.207 0.000 0.617 778 A CB -1.726 17.458 19.000 0.305 0.000 0.827 778 A HN 0.638 nan 8.150 nan 0.000 0.443 779 A N -1.277 121.634 122.820 0.152 0.000 1.903 779 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 779 A C 2.179 179.800 177.584 0.061 0.000 1.191 779 A CA 2.075 54.203 52.037 0.152 0.000 0.638 779 A CB -1.016 18.125 19.000 0.236 0.000 0.823 779 A HN 0.798 nan 8.150 nan 0.000 0.451 780 Y N 0.960 121.137 120.300 -0.204 0.000 2.128 780 Y HA -0.208 4.342 4.550 0.000 0.000 0.284 780 Y C 2.436 177.996 175.900 -0.566 0.000 1.154 780 Y CA 1.642 59.267 58.100 -0.791 0.000 1.149 780 Y CB -0.828 37.258 38.460 -0.623 0.000 0.976 780 Y HN 0.065 nan 8.280 nan 0.000 0.505 781 V N 0.644 120.212 119.914 -0.576 0.000 2.380 781 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 781 V C 2.466 178.342 176.094 -0.365 0.000 1.063 781 V CA 2.237 64.194 62.300 -0.572 0.000 1.055 781 V CB -0.622 30.899 31.823 -0.502 0.000 0.657 781 V HN 0.329 nan 8.190 nan 0.000 0.455 782 E N 0.320 120.384 120.200 -0.226 0.000 2.015 782 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 782 E C 2.454 178.978 176.600 -0.127 0.000 0.991 782 E CA 1.567 57.895 56.400 -0.120 0.000 0.802 782 E CB -0.908 28.776 29.700 -0.027 0.000 0.759 782 E HN 0.515 nan 8.360 nan 0.000 0.447 783 A N 1.775 124.520 122.820 -0.125 0.000 1.915 783 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 783 A C 2.110 179.521 177.584 -0.288 0.000 1.198 783 A CA 1.957 53.948 52.037 -0.077 0.000 0.647 783 A CB -0.606 18.360 19.000 -0.056 0.000 0.825 783 A HN 0.181 nan 8.150 nan 0.000 0.456 784 Q N -0.625 118.926 119.800 -0.415 0.000 2.226 784 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 784 Q C 1.962 177.781 176.000 -0.301 0.000 0.975 784 Q CA 1.416 56.956 55.803 -0.439 0.000 0.866 784 Q CB -0.249 28.153 28.738 -0.561 0.000 0.915 784 Q HN 0.726 nan 8.270 nan 0.000 0.440 785 K N 0.413 120.677 120.400 -0.226 0.000 2.155 785 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 785 K C 1.830 178.389 176.600 -0.069 0.000 1.052 785 K CA 0.838 57.048 56.287 -0.129 0.000 0.948 785 K CB 0.200 32.642 32.500 -0.096 0.000 0.728 785 K HN 0.266 nan 8.250 nan 0.000 0.448 786 Q N -0.183 119.587 119.800 -0.050 0.000 2.432 786 Q HA -0.009 4.331 4.340 -0.000 0.000 0.205 786 Q C 1.791 177.825 176.000 0.057 0.000 0.945 786 Q CA 0.278 56.128 55.803 0.078 0.000 0.924 786 Q CB 0.351 29.229 28.738 0.234 0.000 1.016 786 Q HN 0.015 nan 8.270 nan 0.000 0.503 787 V N 1.163 120.913 119.914 -0.274 0.000 2.323 787 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 787 V C 1.189 177.298 176.094 0.025 0.000 1.041 787 V CA 2.121 64.273 62.300 -0.247 0.000 1.025 787 V CB -0.342 31.202 31.823 -0.465 0.000 0.656 787 V HN 0.312 nan 8.190 nan 0.000 0.451 788 D N -0.050 120.311 120.400 -0.065 0.000 2.116 788 D HA -0.180 4.459 4.640 -0.000 0.000 0.193 788 D C 2.072 178.413 176.300 0.067 0.000 0.998 788 D CA 1.630 55.613 54.000 -0.028 0.000 0.836 788 D CB -0.282 40.488 40.800 -0.050 0.000 0.951 788 D HN 0.277 nan 8.370 nan 0.000 0.449 789 V N 0.479 120.446 119.914 0.088 0.000 2.295 789 V HA -0.211 3.908 4.120 -0.000 0.000 0.246 789 V C 2.292 178.498 176.094 0.187 0.000 1.049 789 V CA 1.271 63.640 62.300 0.115 0.000 1.024 789 V CB -0.538 31.350 31.823 0.107 0.000 0.648 789 V HN 0.204 nan 8.190 nan 0.000 0.447 790 L N -0.884 120.531 121.223 0.320 0.000 2.131 790 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 790 L C 2.246 179.436 176.870 0.533 0.000 1.092 790 L CA 1.857 56.970 54.840 0.455 0.000 0.759 790 L CB -0.816 41.608 42.059 0.609 0.000 0.903 790 L HN 0.415 nan 8.230 nan 0.000 0.435 791 Y N 0.244 120.669 120.300 0.208 0.000 2.293 791 Y HA -0.156 4.394 4.550 -0.000 0.000 0.291 791 Y C 2.526 178.329 175.900 -0.162 0.000 1.137 791 Y CA 1.455 59.378 58.100 -0.296 0.000 1.202 791 Y CB -0.083 37.957 38.460 -0.701 0.000 0.990 791 Y HN 0.153 nan 8.280 nan 0.000 0.537 792 R N -0.422 120.066 120.500 -0.021 0.000 2.189 792 R HA -0.095 4.244 4.340 -0.000 0.000 0.223 792 R C 0.120 176.384 176.300 -0.060 0.000 1.092 792 R CA 1.010 57.076 56.100 -0.057 0.000 0.989 792 R CB -0.151 30.155 30.300 0.010 0.000 0.876 792 R HN 0.194 nan 8.270 nan 0.000 0.457 793 D N 0.943 121.344 120.400 0.001 0.000 2.518 793 D HA 0.060 4.699 4.640 -0.000 0.000 0.230 793 D C 0.656 176.975 176.300 0.031 0.000 1.138 793 D CA -0.058 53.958 54.000 0.025 0.000 0.964 793 D CB 0.704 41.547 40.800 0.072 0.000 1.011 793 D HN 0.092 nan 8.370 nan 0.000 0.517 794 Q N 1.237 121.002 119.800 -0.059 0.000 2.029 794 Q HA -0.258 4.082 4.340 -0.000 0.000 0.209 794 Q C 1.599 177.631 176.000 0.053 0.000 0.999 794 Q CA 1.666 57.433 55.803 -0.061 0.000 0.857 794 Q CB 0.078 28.751 28.738 -0.108 0.000 0.926 794 Q HN 0.594 nan 8.270 nan 0.000 0.415 795 E N 0.278 120.495 120.200 0.030 0.000 2.065 795 E HA -0.283 4.066 4.350 -0.000 0.000 0.201 795 E C 1.957 178.590 176.600 0.056 0.000 1.016 795 E CA 1.370 57.793 56.400 0.038 0.000 0.818 795 E CB -0.169 29.543 29.700 0.019 0.000 0.749 795 E HN 0.370 nan 8.360 nan 0.000 0.453 796 A N 1.681 124.541 122.820 0.067 0.000 1.883 796 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 796 A C 2.072 179.718 177.584 0.103 0.000 1.186 796 A CA 1.423 53.500 52.037 0.066 0.000 0.624 796 A CB -1.354 17.692 19.000 0.077 0.000 0.822 796 A HN 0.749 nan 8.150 nan 0.000 0.444 797 W N 1.198 122.495 121.300 -0.005 0.000 2.329 797 W HA -0.214 4.446 4.660 0.000 0.000 0.324 797 W C 2.132 178.673 176.519 0.035 0.000 1.222 797 W CA 2.753 60.118 57.345 0.033 0.000 1.270 797 W CB -1.004 28.452 29.460 -0.007 0.000 1.167 797 W HN 0.397 nan 8.180 nan 0.000 0.467 798 T N 1.198 115.904 114.554 0.253 0.000 2.624 798 T HA -0.303 4.047 4.350 -0.000 0.000 0.268 798 T C 1.908 176.572 174.700 -0.061 0.000 1.041 798 T CA 2.232 64.415 62.100 0.138 0.000 1.159 798 T CB -0.649 68.300 68.868 0.134 0.000 0.863 798 T HN 0.184 nan 8.240 nan 0.000 0.434 799 R N 0.716 121.185 120.500 -0.052 0.000 2.133 799 R HA -0.197 4.143 4.340 -0.000 0.000 0.245 799 R C 2.815 179.024 176.300 -0.152 0.000 1.137 799 R CA 1.773 57.813 56.100 -0.100 0.000 0.947 799 R CB -0.727 29.537 30.300 -0.059 0.000 0.865 799 R HN 0.465 nan 8.270 nan 0.000 0.437 800 A N 0.741 123.454 122.820 -0.179 0.000 1.877 800 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 800 A C 2.374 179.825 177.584 -0.221 0.000 1.186 800 A CA 1.716 53.618 52.037 -0.225 0.000 0.620 800 A CB -0.681 18.128 19.000 -0.317 0.000 0.822 800 A HN 0.461 nan 8.150 nan 0.000 0.443 801 A N 0.284 122.960 122.820 -0.239 0.000 1.873 801 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 801 A C 2.112 179.646 177.584 -0.084 0.000 1.193 801 A CA 1.735 53.713 52.037 -0.098 0.000 0.629 801 A CB -0.813 18.275 19.000 0.147 0.000 0.826 801 A HN 0.518 nan 8.150 nan 0.000 0.447 802 I N -0.230 120.152 120.570 -0.313 0.000 2.194 802 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 802 I C 2.248 178.264 176.117 -0.170 0.000 1.093 802 I CA 1.291 62.345 61.300 -0.411 0.000 1.355 802 I CB -0.401 37.319 38.000 -0.466 0.000 1.046 802 I HN 0.301 nan 8.210 nan 0.000 0.413 803 L N 0.186 121.321 121.223 -0.147 0.000 2.275 803 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 803 L C 2.210 179.042 176.870 -0.064 0.000 1.119 803 L CA 1.013 55.789 54.840 -0.106 0.000 0.790 803 L CB -0.703 41.289 42.059 -0.111 0.000 0.919 803 L HN 0.376 nan 8.230 nan 0.000 0.443 804 N N -0.595 118.078 118.700 -0.044 0.000 2.171 804 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 804 N C 1.690 177.221 175.510 0.035 0.000 1.021 804 N CA 1.795 54.847 53.050 0.003 0.000 0.854 804 N CB -0.004 38.489 38.487 0.009 0.000 0.994 804 N HN 0.317 nan 8.380 nan 0.000 0.426 805 T N 1.680 116.262 114.554 0.046 0.000 2.595 805 T HA -0.140 4.210 4.350 -0.000 0.000 0.264 805 T C 2.147 176.854 174.700 0.012 0.000 1.058 805 T CA 1.535 63.670 62.100 0.059 0.000 1.166 805 T CB -0.587 68.352 68.868 0.119 0.000 0.863 805 T HN 0.290 nan 8.240 nan 0.000 0.415 806 A N 1.620 124.428 122.820 -0.020 0.000 1.927 806 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 806 A C 2.205 179.764 177.584 -0.042 0.000 1.185 806 A CA 1.672 53.680 52.037 -0.048 0.000 0.639 806 A CB -0.500 18.449 19.000 -0.084 0.000 0.820 806 A HN 0.475 nan 8.150 nan 0.000 0.451 807 R N -2.070 118.409 120.500 -0.034 0.000 2.466 807 R HA 0.231 4.571 4.340 -0.000 0.000 0.279 807 R C 0.150 176.425 176.300 -0.041 0.000 0.976 807 R CA 0.048 56.121 56.100 -0.045 0.000 1.081 807 R CB -0.040 30.232 30.300 -0.046 0.000 1.215 807 R HN 0.477 nan 8.270 nan 0.000 0.546 808 C N -0.670 118.630 119.300 -0.001 0.000 3.125 808 C HA 0.221 4.681 4.460 -0.000 0.000 0.284 808 C C 2.029 176.994 174.990 -0.041 0.000 1.386 808 C CA -0.588 58.446 59.018 0.027 0.000 1.763 808 C CB 0.035 27.943 27.740 0.280 0.000 2.377 808 C HN 0.670 nan 8.230 nan 0.000 0.620 809 G N 1.820 110.588 108.800 -0.052 0.000 2.615 809 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.213 809 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.213 809 G C 1.346 176.199 174.900 -0.078 0.000 1.135 809 G CA 1.077 46.166 45.100 -0.018 0.000 0.772 809 G HN 0.727 nan 8.290 nan 0.000 0.542 810 M N -2.684 116.750 119.600 -0.276 0.000 2.556 810 M HA 0.450 4.930 4.480 -0.000 0.000 0.245 810 M C 0.808 176.939 176.300 -0.281 0.000 1.128 810 M CA 0.676 55.781 55.300 -0.324 0.000 1.069 810 M CB 0.064 32.391 32.600 -0.454 0.000 1.469 810 M HN -0.058 nan 8.290 nan 0.000 0.494 811 F N 1.008 120.984 119.950 0.045 0.000 2.692 811 F HA 0.350 4.876 4.527 -0.001 0.000 0.303 811 F C 1.148 177.000 175.800 0.087 0.000 1.114 811 F CA -1.017 57.017 58.000 0.057 0.000 1.361 811 F CB -0.690 38.332 39.000 0.037 0.000 1.063 811 F HN 0.161 nan 8.300 nan 0.000 0.550 812 S N 0.032 115.862 115.700 0.217 0.000 2.531 812 S HA 0.085 4.555 4.470 -0.000 0.000 0.279 812 S C 1.457 176.177 174.600 0.201 0.000 1.305 812 S CA -0.051 58.264 58.200 0.192 0.000 1.058 812 S CB 0.680 63.959 63.200 0.131 0.000 0.899 812 S HN 0.332 nan 8.310 nan 0.000 0.493 813 S N 3.955 119.801 115.700 0.244 0.000 2.440 813 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 813 S C 1.138 175.831 174.600 0.155 0.000 1.010 813 S CA 1.017 59.399 58.200 0.302 0.000 0.972 813 S CB -0.435 63.025 63.200 0.433 0.000 0.774 813 S HN 0.819 nan 8.310 nan 0.000 0.501 814 D N 1.834 122.304 120.400 0.115 0.000 2.104 814 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 814 D C 2.098 178.420 176.300 0.038 0.000 0.994 814 D CA 0.961 54.999 54.000 0.063 0.000 0.830 814 D CB -0.380 40.453 40.800 0.055 0.000 0.959 814 D HN 0.279 nan 8.370 nan 0.000 0.452 815 R N 1.088 121.615 120.500 0.046 0.000 2.097 815 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 815 R C 2.232 178.523 176.300 -0.015 0.000 1.135 815 R CA 1.563 57.672 56.100 0.015 0.000 0.934 815 R CB -0.548 29.763 30.300 0.018 0.000 0.846 815 R HN 0.060 nan 8.270 nan 0.000 0.431 816 S N 1.119 116.826 115.700 0.012 0.000 2.368 816 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 816 S C 2.011 176.544 174.600 -0.111 0.000 1.044 816 S CA 1.539 59.711 58.200 -0.047 0.000 1.062 816 S CB -0.299 62.926 63.200 0.040 0.000 0.931 816 S HN 0.269 nan 8.310 nan 0.000 0.440 817 I N 1.702 122.200 120.570 -0.119 0.000 2.226 817 I HA -0.120 4.049 4.170 -0.000 0.000 0.245 817 I C 2.422 178.536 176.117 -0.005 0.000 1.100 817 I CA 1.293 62.559 61.300 -0.056 0.000 1.374 817 I CB -1.253 36.757 38.000 0.017 0.000 1.057 817 I HN 0.221 nan 8.210 nan 0.000 0.413 818 R N 0.968 121.460 120.500 -0.014 0.000 2.080 818 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 818 R C 1.826 178.078 176.300 -0.080 0.000 1.137 818 R CA 1.522 57.611 56.100 -0.017 0.000 0.943 818 R CB -1.187 29.104 30.300 -0.015 0.000 0.846 818 R HN 0.397 nan 8.270 nan 0.000 0.431 819 D N -0.066 120.248 120.400 -0.143 0.000 2.158 819 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 819 D C 2.047 178.118 176.300 -0.382 0.000 0.995 819 D CA 1.227 55.083 54.000 -0.240 0.000 0.846 819 D CB -0.341 40.291 40.800 -0.279 0.000 0.941 819 D HN 0.303 nan 8.370 nan 0.000 0.456 820 Y N 1.265 121.248 120.300 -0.529 0.000 2.200 820 Y HA -0.117 4.433 4.550 0.000 0.000 0.290 820 Y C 2.686 178.168 175.900 -0.697 0.000 1.137 820 Y CA 0.970 58.487 58.100 -0.971 0.000 1.163 820 Y CB -0.263 36.986 38.460 -2.018 0.000 0.988 820 Y HN -0.014 nan 8.280 nan 0.000 0.518 821 Q N -0.398 119.333 119.800 -0.114 0.000 2.077 821 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 821 Q C 2.517 178.555 176.000 0.063 0.000 0.989 821 Q CA 1.768 57.672 55.803 0.169 0.000 0.853 821 Q CB -0.378 28.463 28.738 0.172 0.000 0.907 821 Q HN 0.546 nan 8.270 nan 0.000 0.418 822 A N 0.721 123.522 122.820 -0.032 0.000 1.898 822 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 822 A C 1.953 179.487 177.584 -0.084 0.000 1.183 822 A CA 0.833 52.848 52.037 -0.037 0.000 0.622 822 A CB -0.190 18.783 19.000 -0.045 0.000 0.824 822 A HN 0.174 nan 8.150 nan 0.000 0.444 823 R N -1.285 119.102 120.500 -0.188 0.000 2.119 823 R HA 0.177 4.517 4.340 -0.000 0.000 0.222 823 R C 1.125 177.203 176.300 -0.371 0.000 1.088 823 R CA 1.428 57.354 56.100 -0.290 0.000 0.984 823 R CB -0.108 29.963 30.300 -0.382 0.000 0.884 823 R HN 0.554 nan 8.270 nan 0.000 0.447 824 I N -2.807 117.615 120.570 -0.248 0.000 3.620 824 I HA -0.007 4.163 4.170 -0.000 0.000 0.255 824 I C 1.347 177.619 176.117 0.258 0.000 1.124 824 I CA -0.228 61.043 61.300 -0.048 0.000 1.526 824 I CB -0.259 37.617 38.000 -0.206 0.000 1.681 824 I HN 0.001 nan 8.210 nan 0.000 0.420 825 W N 1.854 123.236 121.300 0.137 0.000 2.338 825 W HA -0.106 4.554 4.660 0.001 0.000 0.304 825 W C 1.948 178.506 176.519 0.065 0.000 1.212 825 W CA 0.929 58.353 57.345 0.131 0.000 1.264 825 W CB -0.770 28.752 29.460 0.103 0.000 1.142 825 W HN 0.252 nan 8.180 nan 0.000 0.512 826 Q N -1.173 118.781 119.800 0.256 0.000 2.217 826 Q HA 0.315 4.655 4.340 -0.000 0.000 0.217 826 Q C 0.810 176.846 176.000 0.061 0.000 0.844 826 Q CA 0.146 56.024 55.803 0.126 0.000 0.957 826 Q CB -0.297 28.509 28.738 0.113 0.000 1.127 826 Q HN 0.010 nan 8.270 nan 0.000 0.503 827 A N 1.230 124.087 122.820 0.062 0.000 2.387 827 A HA 0.470 4.790 4.320 -0.000 0.000 0.251 827 A C 0.178 177.757 177.584 -0.008 0.000 1.113 827 A CA 0.304 52.357 52.037 0.027 0.000 0.794 827 A CB 0.137 19.161 19.000 0.040 0.000 1.069 827 A HN 0.265 nan 8.150 nan 0.000 0.506 828 A N 0.660 123.475 122.820 -0.009 0.000 2.347 828 A HA 0.530 4.849 4.320 -0.000 0.000 0.287 828 A C 0.619 178.169 177.584 -0.057 0.000 1.199 828 A CA -0.227 51.791 52.037 -0.032 0.000 0.851 828 A CB -0.073 18.922 19.000 -0.009 0.000 1.118 828 A HN 0.832 nan 8.150 nan 0.000 0.525 1767 K N 0.000 120.409 120.400 0.015 0.000 2.780 1767 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1767 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 1767 K CB 0.000 32.485 32.500 -0.024 0.000 1.064 1767 K HN 0.000 nan 8.250 nan 0.000 0.543