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 2isa_1_H DATA FIRST_RESID 3 DATA SEQUENCE SKKLTTAAGC PVAHNQNVQT AGKRGPQLLQ DVWFLEKLAH FDREVIPERR DATA SEQUENCE XHAKGSGAYG TFTVTHDITK YTKAKIFSDI GKKTDMFARF STVAGERGAA DATA SEQUENCE DAERDIRGFS LKFYTEEGNW DLAGNNTPVF FLRDPLKFPD LNHAVKRDPR DATA SEQUENCE TNMRSAKNNW DFWTSLPEAL HQVTIVMSDR GIPATYRHMH GFGSHTFSFI DATA SEQUENCE NSDNERYWVK FHFVSQQGIK NLSDAEAGEL VGNDRESHQR DLLDSIDNQD DATA SEQUENCE FPKWTLKVQI MPEADAATVP YNPFDLTKVW PHKDYPLIEV GEFELNRNPQ DATA SEQUENCE NYFAEVEQAA FNPANVVPGI SFSPDKMLQG RLFAYGDAQR YRLGVNHQHI DATA SEQUENCE PVNAPRCPVH SYHRDGAMRV DGNFGSTLGY EPNDQGQWAE QPDFSEPPLN DATA SEQUENCE LDGAAAHWDH REDEDYFSQP GDLFGLMTAE KQAILFDNTA RNLNGVPKEI DATA SEQUENCE QLRHVTHCYK ADPAYGEGIG KLLGFDISEY NS 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.587 174.600 -0.021 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.021 0.000 1.107 3 S CB 0.000 63.191 63.200 -0.014 0.000 0.593 4 K N 1.257 121.643 120.400 -0.023 0.000 2.372 4 K HA 0.270 4.590 4.320 -0.000 0.000 0.200 4 K C -0.311 176.267 176.600 -0.037 0.000 1.022 4 K CA 0.037 56.310 56.287 -0.023 0.000 1.125 4 K CB 0.553 33.044 32.500 -0.016 0.000 0.855 4 K HN 0.129 nan 8.250 nan 0.000 0.524 5 K N 1.640 122.011 120.400 -0.049 0.000 2.322 5 K HA 0.130 4.450 4.320 -0.000 0.000 0.283 5 K C -0.455 176.089 176.600 -0.094 0.000 1.042 5 K CA -0.549 55.695 56.287 -0.072 0.000 0.958 5 K CB 0.776 33.232 32.500 -0.073 0.000 0.984 5 K HN -0.102 nan 8.250 nan 0.000 0.473 6 L N 3.241 124.385 121.223 -0.133 0.000 2.331 6 L HA 0.193 4.533 4.340 -0.000 0.000 0.278 6 L C -0.038 176.673 176.870 -0.265 0.000 1.106 6 L CA 0.668 55.395 54.840 -0.190 0.000 0.824 6 L CB 0.830 42.748 42.059 -0.236 0.000 1.142 6 L HN 0.823 nan 8.230 nan 0.000 0.443 7 T N 0.405 114.811 114.554 -0.248 0.000 2.907 7 T HA 0.677 5.026 4.350 -0.000 0.000 0.290 7 T C 0.171 174.708 174.700 -0.273 0.000 1.066 7 T CA -0.131 61.821 62.100 -0.245 0.000 1.012 7 T CB 1.192 69.985 68.868 -0.125 0.000 1.184 7 T HN 0.803 nan 8.240 nan 0.000 0.522 8 T N -0.867 113.579 114.554 -0.180 0.000 2.766 8 T HA 0.506 4.856 4.350 -0.000 0.000 0.295 8 T C 1.846 176.577 174.700 0.053 0.000 1.024 8 T CA -0.233 61.889 62.100 0.036 0.000 1.018 8 T CB 0.158 69.089 68.868 0.105 0.000 1.002 8 T HN 1.054 nan 8.240 nan 0.000 0.532 9 A N 0.592 123.465 122.820 0.089 0.000 2.070 9 A HA 0.232 4.552 4.320 -0.000 0.000 0.220 9 A C 2.410 180.019 177.584 0.043 0.000 1.159 9 A CA 1.446 53.508 52.037 0.041 0.000 0.656 9 A CB -1.298 17.724 19.000 0.038 0.000 0.800 9 A HN 1.244 nan 8.150 nan 0.000 0.453 10 A N -2.001 120.849 122.820 0.048 0.000 2.251 10 A HA 0.433 4.753 4.320 -0.000 0.000 0.209 10 A C 1.693 179.284 177.584 0.011 0.000 1.187 10 A CA 1.096 53.153 52.037 0.033 0.000 0.823 10 A CB -0.749 18.276 19.000 0.041 0.000 0.846 10 A HN 1.820 nan 8.150 nan 0.000 0.486 11 G N -1.685 107.113 108.800 -0.003 0.000 2.141 11 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 11 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 11 G C 0.356 175.231 174.900 -0.041 0.000 0.982 11 G CA 0.133 45.218 45.100 -0.025 0.000 0.662 11 G HN 1.061 nan 8.290 nan 0.000 0.527 12 C N 2.050 121.326 119.300 -0.040 0.000 2.585 12 C HA 0.599 5.059 4.460 -0.000 0.000 0.406 12 C C -1.279 173.646 174.990 -0.109 0.000 1.312 12 C CA -1.732 57.253 59.018 -0.054 0.000 1.924 12 C CB 0.103 27.827 27.740 -0.026 0.000 2.578 12 C HN 0.377 nan 8.230 nan 0.000 0.580 13 P HA 0.086 nan 4.420 nan 0.000 0.265 13 P C -0.910 176.257 177.300 -0.223 0.000 1.193 13 P CA 0.276 63.280 63.100 -0.159 0.000 0.765 13 P CB 0.325 31.952 31.700 -0.122 0.000 0.823 14 V N 3.437 123.148 119.914 -0.339 0.000 2.350 14 V HA 0.307 4.427 4.120 -0.000 0.000 0.276 14 V C 1.192 177.075 176.094 -0.351 0.000 1.028 14 V CA 0.218 62.238 62.300 -0.466 0.000 0.860 14 V CB 0.645 31.896 31.823 -0.952 0.000 0.990 14 V HN 0.671 nan 8.190 nan 0.000 0.453 15 A N 3.760 126.402 122.820 -0.298 0.000 1.984 15 A HA 0.111 4.430 4.320 -0.000 0.000 0.214 15 A C 0.840 178.081 177.584 -0.571 0.000 1.173 15 A CA 0.728 52.513 52.037 -0.420 0.000 0.673 15 A CB 0.046 18.765 19.000 -0.467 0.000 0.830 15 A HN 0.794 nan 8.150 nan 0.000 0.453 16 H N -0.474 118.557 119.070 -0.065 0.000 2.887 16 H HA 0.261 4.817 4.556 -0.000 0.000 0.300 16 H C -0.690 174.688 175.328 0.084 0.000 1.038 16 H CA -0.371 55.685 56.048 0.014 0.000 1.352 16 H CB 0.954 30.747 29.762 0.053 0.000 1.473 16 H HN 0.357 nan 8.280 nan 0.000 0.503 17 N N 1.150 119.944 118.700 0.156 0.000 2.204 17 N HA -0.025 4.715 4.740 -0.000 0.000 0.219 17 N C 0.810 176.441 175.510 0.201 0.000 1.151 17 N CA 0.166 53.364 53.050 0.248 0.000 0.867 17 N CB 0.693 39.281 38.487 0.168 0.000 1.043 17 N HN 0.405 nan 8.380 nan 0.000 0.516 18 Q N -0.923 118.976 119.800 0.165 0.000 2.422 18 Q HA 0.322 4.661 4.340 -0.000 0.000 0.255 18 Q C -0.503 175.555 176.000 0.096 0.000 0.864 18 Q CA 0.494 56.365 55.803 0.112 0.000 0.968 18 Q CB 0.601 29.389 28.738 0.083 0.000 1.130 18 Q HN 0.220 nan 8.270 nan 0.000 0.556 19 N N 1.001 119.766 118.700 0.108 0.000 2.295 19 N HA 0.312 5.052 4.740 -0.000 0.000 0.293 19 N C -0.343 175.193 175.510 0.044 0.000 1.040 19 N CA -0.240 52.841 53.050 0.052 0.000 0.840 19 N CB 3.303 41.801 38.487 0.018 0.000 1.468 19 N HN -0.095 nan 8.380 nan 0.000 0.478 20 V N -0.391 119.523 119.914 -0.000 0.000 3.083 20 V HA 0.314 4.434 4.120 -0.000 0.000 0.306 20 V C 0.578 176.625 176.094 -0.079 0.000 1.077 20 V CA -0.682 61.596 62.300 -0.038 0.000 1.073 20 V CB 0.910 32.636 31.823 -0.162 0.000 1.081 20 V HN 0.619 nan 8.190 nan 0.000 0.474 21 Q N 1.477 121.231 119.800 -0.078 0.000 2.304 21 Q HA 0.503 4.843 4.340 -0.000 0.000 0.260 21 Q C -0.027 175.918 176.000 -0.091 0.000 0.965 21 Q CA 0.048 55.800 55.803 -0.086 0.000 0.898 21 Q CB 1.033 29.738 28.738 -0.055 0.000 1.196 21 Q HN 1.138 nan 8.270 nan 0.000 0.402 22 T N -0.873 113.633 114.554 -0.081 0.000 2.901 22 T HA 0.688 5.038 4.350 -0.000 0.000 0.293 22 T C -0.651 174.017 174.700 -0.054 0.000 1.084 22 T CA -0.895 61.162 62.100 -0.071 0.000 1.008 22 T CB 1.589 70.414 68.868 -0.071 0.000 1.170 22 T HN 0.514 nan 8.240 nan 0.000 0.509 23 A N 1.200 123.993 122.820 -0.046 0.000 2.915 23 A HA 0.696 5.016 4.320 -0.000 0.000 0.292 23 A C 1.199 178.764 177.584 -0.031 0.000 1.632 23 A CA 0.229 52.245 52.037 -0.034 0.000 1.337 23 A CB -1.623 17.359 19.000 -0.029 0.000 1.111 23 A HN 2.211 nan 8.150 nan 0.000 0.569 24 G N 1.180 109.961 108.800 -0.032 0.000 2.730 24 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 24 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 24 G C 0.548 175.429 174.900 -0.032 0.000 1.343 24 G CA -0.029 45.054 45.100 -0.028 0.000 0.826 24 G HN 0.600 nan 8.290 nan 0.000 0.582 25 K N -0.185 120.199 120.400 -0.027 0.000 2.113 25 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 25 K C 1.886 178.470 176.600 -0.028 0.000 1.047 25 K CA 1.633 57.904 56.287 -0.027 0.000 0.928 25 K CB -0.097 32.391 32.500 -0.020 0.000 0.716 25 K HN 0.358 nan 8.250 nan 0.000 0.446 26 R N 0.100 120.584 120.500 -0.025 0.000 2.652 26 R HA 0.180 4.520 4.340 -0.000 0.000 0.372 26 R C 0.316 176.599 176.300 -0.028 0.000 1.104 26 R CA -0.064 56.021 56.100 -0.025 0.000 1.072 26 R CB 1.194 31.482 30.300 -0.019 0.000 1.367 26 R HN 0.082 nan 8.270 nan 0.000 0.577 27 G N 1.604 110.385 108.800 -0.032 0.000 2.521 27 G HA2 0.534 4.494 3.960 -0.000 0.000 0.323 27 G HA3 0.534 4.494 3.960 -0.000 0.000 0.323 27 G C -2.573 172.300 174.900 -0.044 0.000 1.211 27 G CA -1.073 44.006 45.100 -0.034 0.000 0.979 27 G HN -0.114 nan 8.290 nan 0.000 0.490 28 P HA 0.175 nan 4.420 nan 0.000 0.272 28 P C -0.353 176.904 177.300 -0.072 0.000 1.240 28 P CA -0.449 62.618 63.100 -0.055 0.000 0.791 28 P CB 0.578 32.251 31.700 -0.044 0.000 0.978 29 Q N 0.680 120.421 119.800 -0.100 0.000 2.327 29 Q HA 0.255 4.595 4.340 -0.000 0.000 0.254 29 Q C -0.886 175.052 176.000 -0.102 0.000 0.952 29 Q CA -0.283 55.439 55.803 -0.136 0.000 0.884 29 Q CB 0.194 28.791 28.738 -0.234 0.000 1.224 29 Q HN 0.360 nan 8.270 nan 0.000 0.422 30 L N 4.659 125.828 121.223 -0.090 0.000 2.292 30 L HA 0.100 4.440 4.340 -0.000 0.000 0.284 30 L C 1.056 177.905 176.870 -0.035 0.000 1.065 30 L CA -0.485 54.325 54.840 -0.050 0.000 0.806 30 L CB 0.948 42.986 42.059 -0.034 0.000 1.175 30 L HN 0.821 nan 8.230 nan 0.000 0.431 31 L N 3.227 124.446 121.223 -0.007 0.000 2.127 31 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 31 L C 2.399 179.300 176.870 0.052 0.000 1.089 31 L CA 1.837 56.693 54.840 0.027 0.000 0.757 31 L CB -0.453 41.623 42.059 0.029 0.000 0.899 31 L HN 0.822 nan 8.230 nan 0.000 0.434 32 Q N -1.373 118.451 119.800 0.039 0.000 2.515 32 Q HA -0.116 4.224 4.340 -0.000 0.000 0.212 32 Q C 0.164 176.211 176.000 0.079 0.000 0.970 32 Q CA 0.435 56.271 55.803 0.055 0.000 0.941 32 Q CB -0.621 28.141 28.738 0.039 0.000 0.998 32 Q HN 0.380 nan 8.270 nan 0.000 0.518 33 D N 1.896 122.347 120.400 0.085 0.000 2.455 33 D HA 0.005 4.645 4.640 -0.000 0.000 0.234 33 D C 1.137 177.563 176.300 0.211 0.000 1.224 33 D CA -0.118 53.966 54.000 0.140 0.000 0.999 33 D CB 1.261 42.126 40.800 0.107 0.000 1.072 33 D HN 0.214 nan 8.370 nan 0.000 0.514 34 V N 2.711 122.746 119.914 0.200 0.000 2.788 34 V HA -0.019 4.101 4.120 -0.000 0.000 0.251 34 V C 2.163 178.397 176.094 0.234 0.000 1.068 34 V CA 0.343 62.755 62.300 0.188 0.000 1.090 34 V CB -0.876 31.037 31.823 0.150 0.000 0.710 34 V HN 0.596 nan 8.190 nan 0.000 0.467 35 W N 0.822 122.180 121.300 0.097 0.000 2.358 35 W HA -0.253 4.407 4.660 -0.000 0.000 0.303 35 W C 2.313 178.881 176.519 0.082 0.000 1.208 35 W CA 1.828 59.217 57.345 0.074 0.000 1.274 35 W CB -0.385 29.119 29.460 0.073 0.000 1.138 35 W HN 0.396 nan 8.180 nan 0.000 0.515 36 F N 1.760 121.639 119.950 -0.119 0.000 2.065 36 F HA -0.297 4.229 4.527 -0.000 0.000 0.298 36 F C 2.300 177.968 175.800 -0.220 0.000 1.112 36 F CA 2.626 60.488 58.000 -0.230 0.000 1.212 36 F CB -0.971 37.982 39.000 -0.077 0.000 0.975 36 F HN -0.213 nan 8.300 nan 0.000 0.476 37 L N 0.151 121.299 121.223 -0.126 0.000 2.012 37 L HA -0.237 4.102 4.340 -0.000 0.000 0.210 37 L C 2.613 179.328 176.870 -0.258 0.000 1.073 37 L CA 2.078 56.805 54.840 -0.189 0.000 0.748 37 L CB -0.966 41.124 42.059 0.052 0.000 0.891 37 L HN 0.319 nan 8.230 nan 0.000 0.431 38 E N 0.608 120.694 120.200 -0.190 0.000 2.031 38 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 38 E C 2.276 178.705 176.600 -0.285 0.000 0.994 38 E CA 1.347 57.672 56.400 -0.125 0.000 0.800 38 E CB 0.051 29.745 29.700 -0.009 0.000 0.752 38 E HN 0.270 nan 8.360 nan 0.000 0.447 39 K N 0.133 120.083 120.400 -0.750 0.000 2.032 39 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 39 K C 2.172 178.522 176.600 -0.417 0.000 1.048 39 K CA 1.110 56.913 56.287 -0.806 0.000 0.927 39 K CB -0.011 31.731 32.500 -1.263 0.000 0.712 39 K HN 0.193 nan 8.250 nan 0.000 0.441 40 L N 0.367 121.277 121.223 -0.521 0.000 2.156 40 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 40 L C 2.474 179.277 176.870 -0.112 0.000 1.095 40 L CA 1.544 56.181 54.840 -0.338 0.000 0.770 40 L CB -1.176 40.482 42.059 -0.668 0.000 0.914 40 L HN 0.264 nan 8.230 nan 0.000 0.439 41 A N -1.351 121.380 122.820 -0.149 0.000 1.929 41 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 41 A C 2.093 179.626 177.584 -0.086 0.000 1.176 41 A CA 0.926 52.905 52.037 -0.098 0.000 0.628 41 A CB -0.640 18.300 19.000 -0.100 0.000 0.816 41 A HN 0.437 nan 8.150 nan 0.000 0.444 42 H N -2.322 116.684 119.070 -0.107 0.000 2.389 42 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 42 H C 1.985 177.275 175.328 -0.063 0.000 1.081 42 H CA 1.746 57.745 56.048 -0.080 0.000 1.345 42 H CB -0.264 29.455 29.762 -0.071 0.000 1.393 42 H HN 0.610 nan 8.280 nan 0.000 0.520 43 F N 2.610 122.525 119.950 -0.058 0.000 2.102 43 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 43 F C 1.736 177.477 175.800 -0.099 0.000 1.105 43 F CA 1.374 59.316 58.000 -0.097 0.000 1.239 43 F CB -0.267 38.652 39.000 -0.135 0.000 0.991 43 F HN -0.043 nan 8.300 nan 0.000 0.474 44 D N 0.172 120.434 120.400 -0.231 0.000 2.311 44 D HA -0.126 4.514 4.640 -0.000 0.000 0.212 44 D C 1.626 177.766 176.300 -0.267 0.000 0.972 44 D CA 1.059 54.887 54.000 -0.286 0.000 0.887 44 D CB -0.251 40.478 40.800 -0.118 0.000 0.915 44 D HN 0.421 nan 8.370 nan 0.000 0.497 45 R N -0.098 120.262 120.500 -0.234 0.000 2.577 45 R HA 0.185 4.525 4.340 -0.000 0.000 0.344 45 R C 1.231 177.413 176.300 -0.198 0.000 1.037 45 R CA -0.119 55.865 56.100 -0.194 0.000 1.102 45 R CB 0.603 30.797 30.300 -0.176 0.000 1.313 45 R HN 0.126 nan 8.270 nan 0.000 0.561 46 E N 0.512 120.557 120.200 -0.258 0.000 2.153 46 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 46 E C 0.184 176.614 176.600 -0.283 0.000 0.988 46 E CA 0.828 57.054 56.400 -0.289 0.000 0.811 46 E CB 0.318 29.832 29.700 -0.309 0.000 0.746 46 E HN -0.004 nan 8.360 nan 0.000 0.466 47 V N 3.058 122.852 119.914 -0.199 0.000 2.498 47 V HA 0.194 4.314 4.120 -0.000 0.000 0.279 47 V C 0.326 176.398 176.094 -0.036 0.000 1.048 47 V CA -0.324 61.916 62.300 -0.100 0.000 0.967 47 V CB 0.756 32.519 31.823 -0.100 0.000 0.988 47 V HN 0.119 nan 8.190 nan 0.000 0.473 48 I N 2.882 123.488 120.570 0.060 0.000 2.863 48 I HA 0.741 4.911 4.170 -0.000 0.000 0.311 48 I C -2.534 173.593 176.117 0.016 0.000 1.026 48 I CA -2.804 58.517 61.300 0.035 0.000 1.077 48 I CB 1.707 39.761 38.000 0.090 0.000 1.262 48 I HN 0.355 nan 8.210 nan 0.000 0.461 49 P HA 0.075 nan 4.420 nan 0.000 0.265 49 P C -0.808 176.509 177.300 0.028 0.000 1.193 49 P CA -0.069 63.030 63.100 -0.001 0.000 0.765 49 P CB 0.402 32.093 31.700 -0.015 0.000 0.823 50 E N 3.006 123.238 120.200 0.053 0.000 2.410 50 E HA 0.113 4.462 4.350 -0.000 0.000 0.255 50 E C -0.431 176.204 176.600 0.058 0.000 1.194 50 E CA -0.702 55.735 56.400 0.062 0.000 0.955 50 E CB 0.530 30.273 29.700 0.072 0.000 0.988 50 E HN 0.267 nan 8.360 nan 0.000 0.461 51 R N 0.736 121.271 120.500 0.058 0.000 2.679 51 R HA 0.048 4.388 4.340 -0.000 0.000 0.268 51 R C 0.459 176.800 176.300 0.069 0.000 1.044 51 R CA -0.303 55.829 56.100 0.054 0.000 1.105 51 R CB 0.301 30.642 30.300 0.069 0.000 0.989 51 R HN 0.449 nan 8.270 nan 0.000 0.447 55 A N 0.926 123.834 122.820 0.147 0.000 1.972 55 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 55 A C 1.439 179.104 177.584 0.136 0.000 1.169 55 A CA 1.310 53.421 52.037 0.123 0.000 0.635 55 A CB -0.022 19.033 19.000 0.091 0.000 0.810 55 A HN 0.110 nan 8.150 nan 0.000 0.446 56 K N 0.058 120.538 120.400 0.132 0.000 2.253 56 K HA 0.528 4.848 4.320 -0.000 0.000 0.277 56 K C -0.073 176.639 176.600 0.187 0.000 1.053 56 K CA 0.618 56.995 56.287 0.151 0.000 0.892 56 K CB 0.717 33.286 32.500 0.116 0.000 1.102 56 K HN 0.308 nan 8.250 nan 0.000 0.469 57 G N 0.841 109.780 108.800 0.231 0.000 2.649 57 G HA2 0.571 4.531 3.960 -0.000 0.000 0.290 57 G HA3 0.571 4.531 3.960 -0.000 0.000 0.290 57 G C -1.493 173.588 174.900 0.301 0.000 1.426 57 G CA -0.735 44.489 45.100 0.205 0.000 0.794 57 G HN 0.464 nan 8.290 nan 0.000 0.483 58 S N -1.561 114.245 115.700 0.175 0.000 2.548 58 S HA 0.838 5.308 4.470 -0.000 0.000 0.276 58 S C -0.084 174.494 174.600 -0.036 0.000 1.129 58 S CA -0.239 58.108 58.200 0.244 0.000 0.931 58 S CB 1.926 65.378 63.200 0.420 0.000 1.068 58 S HN 1.313 nan 8.310 nan 0.000 0.480 59 G N 0.566 109.347 108.800 -0.032 0.000 2.574 59 G HA2 0.867 4.827 3.960 -0.000 0.000 0.299 59 G HA3 0.867 4.827 3.960 -0.000 0.000 0.299 59 G C -1.374 173.376 174.900 -0.250 0.000 1.298 59 G CA -0.689 44.194 45.100 -0.362 0.000 0.952 59 G HN 1.026 nan 8.290 nan 0.000 0.477 60 A N -0.026 122.447 122.820 -0.577 0.000 2.604 60 A HA 0.726 5.046 4.320 -0.000 0.000 0.295 60 A C -1.851 175.513 177.584 -0.366 0.000 1.067 60 A CA -0.739 51.152 52.037 -0.245 0.000 0.683 60 A CB 0.820 19.804 19.000 -0.027 0.000 1.281 60 A HN 0.659 nan 8.150 nan 0.000 0.407 61 Y N 0.313 120.668 120.300 0.092 0.000 2.352 61 Y HA 0.648 5.198 4.550 -0.000 0.000 0.326 61 Y C 1.198 177.120 175.900 0.036 0.000 1.166 61 Y CA 1.027 59.198 58.100 0.118 0.000 1.182 61 Y CB 2.107 40.658 38.460 0.152 0.000 1.216 61 Y HN 1.095 nan 8.280 nan 0.000 0.474 62 G N -0.155 108.772 108.800 0.212 0.000 2.753 62 G HA2 0.590 4.550 3.960 -0.000 0.000 0.303 62 G HA3 0.590 4.550 3.960 -0.000 0.000 0.303 62 G C -1.531 173.494 174.900 0.208 0.000 1.242 62 G CA -0.861 44.342 45.100 0.173 0.000 0.810 62 G HN 0.389 nan 8.290 nan 0.000 0.515 63 T N 0.317 115.027 114.554 0.261 0.000 2.971 63 T HA 0.481 4.831 4.350 -0.000 0.000 0.304 63 T C -1.687 173.273 174.700 0.434 0.000 1.038 63 T CA -0.244 62.033 62.100 0.295 0.000 1.007 63 T CB 1.748 70.739 68.868 0.205 0.000 1.055 63 T HN 0.542 nan 8.240 nan 0.000 0.451 64 F N 2.822 122.982 119.950 0.349 0.000 2.404 64 F HA 0.640 5.167 4.527 -0.000 0.000 0.339 64 F C -0.081 175.906 175.800 0.312 0.000 1.105 64 F CA -0.134 58.124 58.000 0.431 0.000 1.087 64 F CB 1.097 40.405 39.000 0.513 0.000 1.143 64 F HN 0.435 nan 8.300 nan 0.000 0.491 65 T N 5.675 119.915 114.554 -0.524 0.000 2.824 65 T HA 0.419 4.769 4.350 -0.000 0.000 0.282 65 T C -0.817 173.512 174.700 -0.619 0.000 0.993 65 T CA -0.616 61.259 62.100 -0.376 0.000 0.967 65 T CB 1.497 70.297 68.868 -0.114 0.000 0.960 65 T HN 0.377 nan 8.240 nan 0.000 0.441 66 V N 3.903 123.664 119.914 -0.255 0.000 2.508 66 V HA 0.240 4.360 4.120 -0.000 0.000 0.281 66 V C 1.625 177.726 176.094 0.012 0.000 1.041 66 V CA 0.212 62.498 62.300 -0.023 0.000 1.016 66 V CB 0.842 32.777 31.823 0.187 0.000 0.984 66 V HN 1.191 nan 8.190 nan 0.000 0.478 67 T N 0.559 115.166 114.554 0.088 0.000 2.978 67 T HA 0.229 4.579 4.350 -0.000 0.000 0.248 67 T C 0.438 175.118 174.700 -0.032 0.000 1.018 67 T CA 0.162 62.303 62.100 0.069 0.000 1.026 67 T CB 0.114 69.072 68.868 0.150 0.000 1.032 67 T HN 0.643 nan 8.240 nan 0.000 0.485 68 H N 0.391 119.485 119.070 0.041 0.000 2.797 68 H HA 0.647 5.203 4.556 -0.000 0.000 0.372 68 H C -1.429 173.922 175.328 0.038 0.000 1.168 68 H CA -0.982 55.087 56.048 0.034 0.000 1.163 68 H CB 1.458 31.236 29.762 0.027 0.000 1.778 68 H HN 0.011 nan 8.280 nan 0.000 0.551 69 D N 2.170 122.653 120.400 0.138 0.000 2.347 69 D HA 0.115 4.755 4.640 -0.000 0.000 0.235 69 D C 0.395 176.735 176.300 0.067 0.000 1.149 69 D CA -0.259 53.787 54.000 0.076 0.000 0.850 69 D CB 0.467 41.287 40.800 0.033 0.000 1.061 69 D HN 0.635 nan 8.370 nan 0.000 0.487 70 I N 0.992 121.582 120.570 0.034 0.000 3.856 70 I HA 0.154 4.324 4.170 -0.000 0.000 0.330 70 I C 1.425 177.508 176.117 -0.056 0.000 1.546 70 I CA -0.438 60.888 61.300 0.044 0.000 1.132 70 I CB 0.245 38.236 38.000 -0.015 0.000 1.157 70 I HN 0.112 nan 8.210 nan 0.000 0.440 71 T N -2.290 112.216 114.554 -0.080 0.000 3.051 71 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 71 T C 1.656 176.242 174.700 -0.190 0.000 1.127 71 T CA 1.022 63.059 62.100 -0.106 0.000 1.107 71 T CB -0.204 68.631 68.868 -0.055 0.000 0.898 71 T HN 0.550 nan 8.240 nan 0.000 0.517 72 K N 0.012 120.208 120.400 -0.339 0.000 2.147 72 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 72 K C 1.197 177.427 176.600 -0.616 0.000 1.049 72 K CA 1.280 57.243 56.287 -0.539 0.000 0.936 72 K CB -0.152 31.850 32.500 -0.830 0.000 0.722 72 K HN 0.569 nan 8.250 nan 0.000 0.446 73 Y N -0.827 119.324 120.300 -0.248 0.000 2.524 73 Y HA 0.179 4.729 4.550 -0.000 0.000 0.270 73 Y C 0.811 176.606 175.900 -0.176 0.000 1.094 73 Y CA 0.104 57.986 58.100 -0.363 0.000 1.276 73 Y CB 0.803 38.996 38.460 -0.446 0.000 1.130 73 Y HN -0.133 nan 8.280 nan 0.000 0.536 74 T N 0.499 114.948 114.554 -0.175 0.000 2.952 74 T HA 0.263 4.613 4.350 -0.000 0.000 0.305 74 T C 0.025 174.639 174.700 -0.145 0.000 1.064 74 T CA -0.889 61.056 62.100 -0.260 0.000 1.008 74 T CB 1.111 69.463 68.868 -0.861 0.000 1.078 74 T HN 0.322 nan 8.240 nan 0.000 0.459 75 K N 2.779 123.131 120.400 -0.079 0.000 2.417 75 K HA 0.543 4.863 4.320 -0.000 0.000 0.196 75 K C 0.741 177.313 176.600 -0.046 0.000 1.023 75 K CA -0.333 55.926 56.287 -0.047 0.000 1.122 75 K CB 0.238 32.723 32.500 -0.025 0.000 0.850 75 K HN 0.485 nan 8.250 nan 0.000 0.521 76 A N 2.246 125.013 122.820 -0.087 0.000 2.548 76 A HA 0.038 4.358 4.320 -0.000 0.000 0.247 76 A C 0.799 178.296 177.584 -0.144 0.000 1.067 76 A CA -0.347 51.596 52.037 -0.157 0.000 0.757 76 A CB 0.392 19.209 19.000 -0.304 0.000 0.996 76 A HN 0.185 nan 8.150 nan 0.000 0.504 77 K N 2.565 122.889 120.400 -0.126 0.000 2.097 77 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 77 K C 1.677 178.207 176.600 -0.117 0.000 1.049 77 K CA 1.469 57.711 56.287 -0.075 0.000 0.933 77 K CB -0.530 31.951 32.500 -0.031 0.000 0.717 77 K HN 0.867 nan 8.250 nan 0.000 0.442 78 I N 0.276 120.675 120.570 -0.284 0.000 2.399 78 I HA -0.271 3.899 4.170 -0.000 0.000 0.254 78 I C 0.707 176.676 176.117 -0.247 0.000 1.146 78 I CA 1.425 62.505 61.300 -0.367 0.000 1.412 78 I CB 0.081 37.642 38.000 -0.731 0.000 1.076 78 I HN -0.056 nan 8.210 nan 0.000 0.432 79 F N -0.226 119.734 119.950 0.017 0.000 2.653 79 F HA 0.180 4.707 4.527 -0.000 0.000 0.304 79 F C 2.332 178.149 175.800 0.027 0.000 1.092 79 F CA 0.296 58.330 58.000 0.056 0.000 1.279 79 F CB -0.560 38.419 39.000 -0.036 0.000 1.044 79 F HN 0.086 nan 8.300 nan 0.000 0.564 80 S N -1.769 114.014 115.700 0.139 0.000 2.496 80 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 80 S C 0.202 174.842 174.600 0.068 0.000 0.996 80 S CA 0.241 58.488 58.200 0.079 0.000 0.927 80 S CB -0.059 63.162 63.200 0.035 0.000 0.774 80 S HN 0.079 nan 8.310 nan 0.000 0.524 81 D N 0.692 121.142 120.400 0.084 0.000 2.738 81 D HA 0.434 5.074 4.640 -0.000 0.000 0.237 81 D C -0.627 175.721 176.300 0.079 0.000 1.123 81 D CA -0.573 53.465 54.000 0.064 0.000 0.856 81 D CB 1.736 42.564 40.800 0.048 0.000 1.552 81 D HN 0.179 nan 8.370 nan 0.000 0.480 82 I N 0.954 121.557 120.570 0.055 0.000 2.710 82 I HA 0.193 4.363 4.170 -0.000 0.000 0.286 82 I C 1.685 177.821 176.117 0.032 0.000 1.181 82 I CA 0.918 62.243 61.300 0.042 0.000 1.430 82 I CB 0.404 38.408 38.000 0.007 0.000 1.367 82 I HN 0.794 nan 8.210 nan 0.000 0.577 83 G N 4.436 113.252 108.800 0.027 0.000 2.268 83 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.240 83 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.240 83 G C 0.532 175.455 174.900 0.039 0.000 1.010 83 G CA 0.072 45.186 45.100 0.023 0.000 0.618 83 G HN 0.646 nan 8.290 nan 0.000 0.516 84 K N 1.528 121.965 120.400 0.062 0.000 2.484 84 K HA 0.298 4.618 4.320 -0.000 0.000 0.280 84 K C 0.059 176.722 176.600 0.105 0.000 1.013 84 K CA 0.397 56.736 56.287 0.086 0.000 1.029 84 K CB 0.128 32.692 32.500 0.106 0.000 0.902 84 K HN 0.294 nan 8.250 nan 0.000 0.481 85 K N 2.803 123.270 120.400 0.112 0.000 2.206 85 K HA 0.260 4.580 4.320 -0.000 0.000 0.264 85 K C -1.057 175.659 176.600 0.194 0.000 0.967 85 K CA -0.666 55.708 56.287 0.146 0.000 0.844 85 K CB 2.071 34.639 32.500 0.113 0.000 1.099 85 K HN 0.520 nan 8.250 nan 0.000 0.441 86 T N 1.904 116.631 114.554 0.288 0.000 2.879 86 T HA 0.185 4.535 4.350 -0.000 0.000 0.290 86 T C -0.828 174.081 174.700 0.347 0.000 0.993 86 T CA -0.930 61.356 62.100 0.309 0.000 0.975 86 T CB 1.216 70.290 68.868 0.344 0.000 0.981 86 T HN 0.401 nan 8.240 nan 0.000 0.439 87 D N 3.450 124.034 120.400 0.308 0.000 2.368 87 D HA 0.461 5.101 4.640 -0.000 0.000 0.240 87 D C 0.395 176.933 176.300 0.396 0.000 1.169 87 D CA 0.041 54.243 54.000 0.337 0.000 0.906 87 D CB 0.743 41.717 40.800 0.291 0.000 1.187 87 D HN 0.603 nan 8.370 nan 0.000 0.435 88 M N -0.560 119.221 119.600 0.303 0.000 2.644 88 M HA 0.588 5.068 4.480 -0.000 0.000 0.273 88 M C -1.863 174.457 176.300 0.034 0.000 1.253 88 M CA -1.077 54.183 55.300 -0.067 0.000 0.852 88 M CB 2.560 34.921 32.600 -0.398 0.000 1.708 88 M HN 0.191 nan 8.290 nan 0.000 0.471 89 F N 1.372 121.051 119.950 -0.453 0.000 2.556 89 F HA 0.905 5.432 4.527 -0.000 0.000 0.314 89 F C -1.627 173.821 175.800 -0.587 0.000 1.106 89 F CA -0.410 57.312 58.000 -0.464 0.000 0.911 89 F CB 2.021 40.773 39.000 -0.414 0.000 1.190 89 F HN 0.943 nan 8.300 nan 0.000 0.448 90 A N 6.244 128.174 122.820 -1.484 0.000 2.355 90 A HA 0.794 5.114 4.320 -0.000 0.000 0.317 90 A C -1.264 175.265 177.584 -1.759 0.000 1.094 90 A CA -0.854 50.268 52.037 -1.525 0.000 0.764 90 A CB 1.359 19.473 19.000 -1.477 0.000 1.230 90 A HN 0.869 nan 8.150 nan 0.000 0.448 91 R N 2.284 121.906 120.500 -1.464 0.000 2.480 91 R HA 0.645 4.985 4.340 -0.000 0.000 0.306 91 R C -1.774 173.810 176.300 -1.193 0.000 0.958 91 R CA -0.386 55.056 56.100 -1.095 0.000 0.861 91 R CB 0.807 30.824 30.300 -0.472 0.000 1.171 91 R HN 0.613 nan 8.270 nan 0.000 0.445 92 F N 1.850 121.358 119.950 -0.737 0.000 2.432 92 F HA 0.548 5.075 4.527 -0.000 0.000 0.329 92 F C 0.419 175.801 175.800 -0.697 0.000 1.076 92 F CA -0.417 57.043 58.000 -0.901 0.000 1.018 92 F CB 2.177 40.290 39.000 -1.479 0.000 1.201 92 F HN 0.588 nan 8.300 nan 0.000 0.489 93 S N -1.149 114.424 115.700 -0.212 0.000 2.587 93 S HA 0.549 5.019 4.470 -0.000 0.000 0.269 93 S C -0.600 174.131 174.600 0.219 0.000 1.154 93 S CA -0.962 57.288 58.200 0.083 0.000 0.824 93 S CB 1.181 64.477 63.200 0.160 0.000 1.118 93 S HN 0.766 nan 8.310 nan 0.000 0.462 94 T N -1.090 113.579 114.554 0.192 0.000 2.833 94 T HA 0.636 4.986 4.350 -0.000 0.000 0.312 94 T C 0.885 175.535 174.700 -0.083 0.000 1.085 94 T CA 0.029 62.185 62.100 0.094 0.000 0.955 94 T CB 0.164 69.072 68.868 0.066 0.000 1.353 94 T HN 0.676 nan 8.240 nan 0.000 0.544 95 V N -0.310 119.515 119.914 -0.147 0.000 2.948 95 V HA 0.338 4.458 4.120 -0.000 0.000 0.234 95 V C 2.754 178.775 176.094 -0.122 0.000 1.205 95 V CA 0.712 62.807 62.300 -0.341 0.000 1.234 95 V CB -0.782 30.916 31.823 -0.207 0.000 1.020 95 V HN 1.011 nan 8.190 nan 0.000 0.491 96 A N 0.547 123.337 122.820 -0.049 0.000 1.975 96 A HA 0.337 4.656 4.320 -0.000 0.000 0.215 96 A C 1.582 179.156 177.584 -0.017 0.000 1.170 96 A CA 0.992 53.007 52.037 -0.036 0.000 0.656 96 A CB -0.822 18.152 19.000 -0.042 0.000 0.821 96 A HN 0.554 nan 8.150 nan 0.000 0.449 97 G N 0.377 109.176 108.800 -0.001 0.000 2.441 97 G HA2 0.415 4.375 3.960 -0.000 0.000 0.243 97 G HA3 0.415 4.375 3.960 -0.000 0.000 0.243 97 G C -0.241 174.675 174.900 0.028 0.000 1.281 97 G CA -0.241 44.866 45.100 0.013 0.000 0.854 97 G HN 0.440 nan 8.290 nan 0.000 0.560 98 E N 0.567 120.783 120.200 0.027 0.000 2.622 98 E HA 0.283 4.632 4.350 -0.000 0.000 0.255 98 E C 1.774 178.406 176.600 0.052 0.000 1.313 98 E CA -0.511 55.912 56.400 0.038 0.000 1.011 98 E CB 0.740 30.456 29.700 0.026 0.000 1.173 98 E HN 0.483 nan 8.360 nan 0.000 0.601 99 R N -0.089 120.448 120.500 0.061 0.000 2.113 99 R HA -0.118 4.222 4.340 -0.000 0.000 0.244 99 R C 1.032 177.360 176.300 0.046 0.000 1.142 99 R CA 1.696 57.836 56.100 0.067 0.000 0.953 99 R CB -0.354 29.989 30.300 0.071 0.000 0.860 99 R HN 0.550 nan 8.270 nan 0.000 0.438 100 G N -0.929 107.891 108.800 0.034 0.000 4.757 100 G HA2 0.506 4.466 3.960 -0.000 0.000 0.303 100 G HA3 0.506 4.466 3.960 -0.000 0.000 0.303 100 G C -0.441 174.475 174.900 0.027 0.000 1.318 100 G CA -0.128 44.989 45.100 0.030 0.000 1.020 100 G HN 0.360 nan 8.290 nan 0.000 0.589 101 A N 0.445 123.283 122.820 0.030 0.000 2.448 101 A HA 0.663 4.983 4.320 -0.000 0.000 0.239 101 A C 1.116 178.714 177.584 0.024 0.000 1.080 101 A CA 0.397 52.448 52.037 0.023 0.000 0.779 101 A CB 0.298 19.311 19.000 0.021 0.000 1.026 101 A HN 1.375 nan 8.150 nan 0.000 0.499 102 A N 0.933 123.762 122.820 0.015 0.000 2.477 102 A HA 0.319 4.639 4.320 -0.000 0.000 0.246 102 A C 0.746 178.322 177.584 -0.013 0.000 1.078 102 A CA 0.070 52.112 52.037 0.008 0.000 0.770 102 A CB -0.029 18.975 19.000 0.007 0.000 1.011 102 A HN 0.816 nan 8.150 nan 0.000 0.494 103 D N 2.001 122.383 120.400 -0.030 0.000 2.144 103 D HA -0.050 4.590 4.640 -0.000 0.000 0.199 103 D C 1.296 177.406 176.300 -0.318 0.000 0.984 103 D CA 2.015 55.931 54.000 -0.139 0.000 0.834 103 D CB -0.059 40.675 40.800 -0.110 0.000 0.955 103 D HN 0.635 nan 8.370 nan 0.000 0.465 104 A N 1.239 123.954 122.820 -0.175 0.000 3.260 104 A HA 0.191 4.511 4.320 -0.000 0.000 0.268 104 A C 0.196 177.756 177.584 -0.040 0.000 1.491 104 A CA -0.210 51.752 52.037 -0.125 0.000 1.181 104 A CB -0.220 18.813 19.000 0.055 0.000 1.137 104 A HN -0.019 nan 8.150 nan 0.000 0.642 105 E N 0.117 120.287 120.200 -0.049 0.000 2.232 105 E HA 0.303 4.653 4.350 -0.000 0.000 0.265 105 E C -0.169 176.453 176.600 0.036 0.000 1.001 105 E CA -0.989 55.416 56.400 0.008 0.000 0.870 105 E CB 1.551 31.258 29.700 0.012 0.000 1.175 105 E HN 0.509 nan 8.360 nan 0.000 0.407 106 R N 1.949 122.491 120.500 0.069 0.000 2.288 106 R HA 0.069 4.408 4.340 -0.000 0.000 0.330 106 R C -1.071 175.302 176.300 0.122 0.000 1.069 106 R CA 0.555 56.717 56.100 0.104 0.000 0.941 106 R CB 0.140 30.518 30.300 0.130 0.000 0.998 106 R HN 0.379 nan 8.270 nan 0.000 0.452 107 D N 3.217 123.694 120.400 0.128 0.000 2.728 107 D HA 0.156 4.796 4.640 -0.000 0.000 0.249 107 D C -0.494 175.897 176.300 0.152 0.000 1.225 107 D CA -0.572 53.515 54.000 0.145 0.000 0.748 107 D CB 1.111 41.970 40.800 0.098 0.000 1.326 107 D HN 0.376 nan 8.370 nan 0.000 0.426 108 I N 1.604 122.280 120.570 0.176 0.000 2.813 108 I HA 0.055 4.225 4.170 -0.000 0.000 0.287 108 I C 0.706 176.939 176.117 0.194 0.000 1.196 108 I CA 0.125 61.534 61.300 0.183 0.000 1.421 108 I CB 0.319 38.458 38.000 0.230 0.000 1.365 108 I HN 0.019 nan 8.210 nan 0.000 0.591 109 R N 4.101 124.750 120.500 0.247 0.000 2.387 109 R HA 0.376 4.716 4.340 -0.000 0.000 0.314 109 R C -0.123 176.379 176.300 0.336 0.000 0.958 109 R CA -0.748 55.528 56.100 0.293 0.000 0.846 109 R CB 1.380 31.893 30.300 0.356 0.000 1.147 109 R HN 0.791 nan 8.270 nan 0.000 0.447 110 G N 1.372 110.388 108.800 0.359 0.000 2.432 110 G HA2 0.198 4.158 3.960 -0.000 0.000 0.239 110 G HA3 0.198 4.158 3.960 -0.000 0.000 0.239 110 G C -0.862 174.118 174.900 0.133 0.000 1.291 110 G CA -0.068 45.196 45.100 0.273 0.000 0.863 110 G HN 0.483 nan 8.290 nan 0.000 0.560 111 F N 2.118 121.985 119.950 -0.137 0.000 2.769 111 F HA 0.450 4.977 4.527 -0.000 0.000 0.358 111 F C 0.254 175.707 175.800 -0.577 0.000 1.285 111 F CA -0.786 57.077 58.000 -0.228 0.000 1.199 111 F CB 1.272 40.209 39.000 -0.104 0.000 1.558 111 F HN 0.411 nan 8.300 nan 0.000 0.583 112 S N 5.024 120.198 115.700 -0.875 0.000 2.437 112 S HA 0.782 5.252 4.470 -0.000 0.000 0.305 112 S C -0.790 172.972 174.600 -1.397 0.000 1.109 112 S CA -0.423 57.064 58.200 -1.188 0.000 1.099 112 S CB 0.507 62.725 63.200 -1.637 0.000 1.004 112 S HN 0.496 nan 8.310 nan 0.000 0.475 113 L N 4.495 125.075 121.223 -1.072 0.000 2.365 113 L HA 0.634 4.974 4.340 -0.000 0.000 0.273 113 L C -0.305 176.110 176.870 -0.758 0.000 1.000 113 L CA -0.770 53.425 54.840 -1.075 0.000 0.819 113 L CB 2.014 43.258 42.059 -1.357 0.000 1.284 113 L HN 0.501 nan 8.230 nan 0.000 0.418 114 K N 3.054 122.997 120.400 -0.762 0.000 2.535 114 K HA 0.512 4.832 4.320 -0.000 0.000 0.253 114 K C -1.756 174.298 176.600 -0.910 0.000 0.953 114 K CA -0.420 55.492 56.287 -0.624 0.000 0.863 114 K CB 1.053 33.271 32.500 -0.470 0.000 1.111 114 K HN 0.314 nan 8.250 nan 0.000 0.431 115 F N 3.727 123.375 119.950 -0.504 0.000 2.404 115 F HA 0.299 4.826 4.527 -0.000 0.000 0.354 115 F C -0.346 175.306 175.800 -0.248 0.000 1.122 115 F CA -0.738 57.055 58.000 -0.345 0.000 1.080 115 F CB 0.831 39.724 39.000 -0.179 0.000 1.131 115 F HN 0.416 nan 8.300 nan 0.000 0.471 116 Y N 1.703 122.100 120.300 0.162 0.000 2.667 116 Y HA 0.191 4.741 4.550 -0.000 0.000 0.340 116 Y C 1.123 177.085 175.900 0.102 0.000 1.303 116 Y CA -0.957 57.204 58.100 0.101 0.000 1.769 116 Y CB -0.704 37.795 38.460 0.064 0.000 1.804 116 Y HN 0.550 nan 8.280 nan 0.000 0.451 117 T N -2.564 112.106 114.554 0.194 0.000 2.816 117 T HA 0.077 4.427 4.350 -0.000 0.000 0.282 117 T C 1.178 175.927 174.700 0.081 0.000 0.993 117 T CA -0.564 61.601 62.100 0.109 0.000 0.994 117 T CB 1.024 69.906 68.868 0.025 0.000 1.025 117 T HN 0.694 nan 8.240 nan 0.000 0.529 118 E N -0.229 119.998 120.200 0.045 0.000 2.482 118 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 118 E C 0.660 177.265 176.600 0.008 0.000 1.047 118 E CA 0.566 56.987 56.400 0.034 0.000 0.869 118 E CB -0.036 29.684 29.700 0.033 0.000 0.836 118 E HN 0.842 nan 8.360 nan 0.000 0.520 119 E N 0.782 120.973 120.200 -0.015 0.000 2.869 119 E HA 0.335 4.684 4.350 -0.000 0.000 0.207 119 E C -0.155 176.408 176.600 -0.062 0.000 0.986 119 E CA -0.132 56.228 56.400 -0.067 0.000 1.131 119 E CB 1.244 30.889 29.700 -0.092 0.000 1.098 119 E HN 0.335 nan 8.360 nan 0.000 0.459 120 G N 1.242 110.041 108.800 -0.001 0.000 2.406 120 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.680 120 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.680 120 G C -1.160 173.789 174.900 0.081 0.000 1.338 120 G CA -1.159 43.959 45.100 0.030 0.000 0.941 120 G HN 0.203 nan 8.290 nan 0.000 0.633 121 N N 0.095 118.850 118.700 0.091 0.000 2.420 121 N HA 0.293 5.033 4.740 -0.000 0.000 0.262 121 N C -0.532 175.060 175.510 0.138 0.000 1.144 121 N CA -0.188 52.911 53.050 0.081 0.000 0.952 121 N CB 0.785 39.286 38.487 0.024 0.000 1.081 121 N HN 0.548 nan 8.380 nan 0.000 0.480 122 W N 4.693 125.967 121.300 -0.042 0.000 2.342 122 W HA 0.233 4.893 4.660 -0.000 0.000 0.310 122 W C -0.976 175.540 176.519 -0.005 0.000 1.128 122 W CA -1.017 56.311 57.345 -0.030 0.000 1.322 122 W CB 0.167 29.580 29.460 -0.078 0.000 1.251 122 W HN 0.399 nan 8.180 nan 0.000 0.439 123 D N 6.106 126.495 120.400 -0.018 0.000 2.274 123 D HA 0.184 4.824 4.640 -0.000 0.000 0.239 123 D C -0.967 175.101 176.300 -0.387 0.000 1.104 123 D CA -0.309 53.574 54.000 -0.194 0.000 0.840 123 D CB 1.774 42.556 40.800 -0.029 0.000 1.100 123 D HN 0.338 nan 8.370 nan 0.000 0.477 124 L N 2.518 123.367 121.223 -0.624 0.000 2.337 124 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 124 L C -0.397 176.213 176.870 -0.434 0.000 1.018 124 L CA -0.746 53.755 54.840 -0.564 0.000 0.876 124 L CB 1.050 42.623 42.059 -0.810 0.000 1.236 124 L HN 0.355 nan 8.230 nan 0.000 0.436 125 A N 4.179 126.813 122.820 -0.310 0.000 2.807 125 A HA 0.660 4.980 4.320 -0.000 0.000 0.307 125 A C 0.662 178.129 177.584 -0.196 0.000 1.532 125 A CA 0.190 52.014 52.037 -0.355 0.000 1.215 125 A CB -0.833 17.961 19.000 -0.343 0.000 1.127 125 A HN 0.755 nan 8.150 nan 0.000 0.543 126 G N 0.952 109.652 108.800 -0.167 0.000 2.537 126 G HA2 0.509 4.469 3.960 -0.000 0.000 0.297 126 G HA3 0.509 4.469 3.960 -0.000 0.000 0.297 126 G C -0.310 174.626 174.900 0.060 0.000 1.310 126 G CA -0.545 44.556 45.100 0.002 0.000 1.027 126 G HN 0.562 nan 8.290 nan 0.000 0.505 127 N N -0.986 117.803 118.700 0.149 0.000 2.577 127 N HA 0.206 4.946 4.740 -0.000 0.000 0.285 127 N C 0.394 176.086 175.510 0.303 0.000 1.309 127 N CA -0.769 52.423 53.050 0.236 0.000 0.798 127 N CB 1.413 40.031 38.487 0.218 0.000 1.463 127 N HN 0.524 nan 8.380 nan 0.000 0.518 128 N N -1.027 117.877 118.700 0.340 0.000 2.362 128 N HA -0.017 4.723 4.740 -0.000 0.000 0.204 128 N C -0.492 175.270 175.510 0.421 0.000 1.166 128 N CA 0.094 53.381 53.050 0.395 0.000 0.831 128 N CB 0.013 38.720 38.487 0.366 0.000 1.008 128 N HN 0.398 nan 8.380 nan 0.000 0.472 129 T N -0.136 114.562 114.554 0.241 0.000 2.933 129 T HA 0.364 4.714 4.350 -0.000 0.000 0.305 129 T C -2.460 171.873 174.700 -0.611 0.000 1.092 129 T CA -1.669 60.295 62.100 -0.226 0.000 1.008 129 T CB 2.240 71.002 68.868 -0.176 0.000 1.102 129 T HN -0.189 nan 8.240 nan 0.000 0.469 130 P HA 0.109 nan 4.420 nan 0.000 0.233 130 P C 0.569 177.569 177.300 -0.501 0.000 1.167 130 P CA 0.456 62.982 63.100 -0.957 0.000 0.770 130 P CB -0.067 31.058 31.700 -0.958 0.000 0.837 131 V N -4.797 114.838 119.914 -0.465 0.000 3.145 131 V HA 0.777 4.897 4.120 -0.000 0.000 0.311 131 V C -0.740 175.232 176.094 -0.204 0.000 1.238 131 V CA -1.149 60.934 62.300 -0.363 0.000 1.066 131 V CB 1.946 33.442 31.823 -0.545 0.000 1.144 131 V HN -0.090 nan 8.190 nan 0.000 0.465 132 F N -1.608 118.124 119.950 -0.363 0.000 2.745 132 F HA 0.638 5.165 4.527 -0.000 0.000 0.316 132 F C 0.242 175.872 175.800 -0.284 0.000 1.155 132 F CA -1.179 56.613 58.000 -0.347 0.000 0.937 132 F CB 1.639 40.556 39.000 -0.140 0.000 1.361 132 F HN 0.435 nan 8.300 nan 0.000 0.472 133 F N 1.360 120.927 119.950 -0.638 0.000 2.367 133 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 133 F C 0.289 176.038 175.800 -0.085 0.000 1.094 133 F CA 0.673 58.441 58.000 -0.386 0.000 1.409 133 F CB -0.113 38.620 39.000 -0.445 0.000 1.064 133 F HN -0.073 nan 8.300 nan 0.000 0.528 134 L N -0.966 120.450 121.223 0.321 0.000 2.323 134 L HA 0.492 4.832 4.340 -0.000 0.000 0.265 134 L C 0.883 177.860 176.870 0.179 0.000 1.012 134 L CA -0.876 54.130 54.840 0.276 0.000 0.820 134 L CB 1.997 44.314 42.059 0.429 0.000 1.334 134 L HN -0.232 nan 8.230 nan 0.000 0.427 135 R N -0.557 119.952 120.500 0.015 0.000 2.225 135 R HA 0.150 4.489 4.340 -0.000 0.000 0.194 135 R C -0.339 175.960 176.300 -0.001 0.000 0.957 135 R CA 0.266 56.310 56.100 -0.094 0.000 1.042 135 R CB 0.502 30.503 30.300 -0.499 0.000 1.004 135 R HN 0.604 nan 8.270 nan 0.000 0.509 136 D N 0.282 120.730 120.400 0.080 0.000 2.629 136 D HA 0.151 4.791 4.640 -0.000 0.000 0.250 136 D C -2.039 174.383 176.300 0.203 0.000 1.126 136 D CA -2.060 52.032 54.000 0.153 0.000 0.852 136 D CB 2.595 43.526 40.800 0.219 0.000 1.335 136 D HN -0.169 nan 8.370 nan 0.000 0.518 137 P HA -0.041 nan 4.420 nan 0.000 0.228 137 P C 1.781 179.213 177.300 0.220 0.000 1.151 137 P CA 0.270 63.486 63.100 0.193 0.000 0.770 137 P CB 0.636 32.401 31.700 0.108 0.000 0.786 138 L N -0.436 120.902 121.223 0.192 0.000 2.131 138 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 138 L C 2.324 179.313 176.870 0.199 0.000 1.092 138 L CA 1.309 56.254 54.840 0.175 0.000 0.759 138 L CB -0.586 41.567 42.059 0.156 0.000 0.903 138 L HN -0.110 nan 8.230 nan 0.000 0.435 139 K N -0.755 119.798 120.400 0.255 0.000 2.504 139 K HA -0.093 4.227 4.320 -0.000 0.000 0.195 139 K C 1.775 178.547 176.600 0.287 0.000 1.036 139 K CA 0.741 57.211 56.287 0.306 0.000 0.984 139 K CB -0.315 32.406 32.500 0.368 0.000 0.788 139 K HN 0.187 nan 8.250 nan 0.000 0.488 140 F N 2.464 122.505 119.950 0.151 0.000 2.113 140 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 140 F C -0.939 174.838 175.800 -0.037 0.000 1.103 140 F CA 0.870 58.943 58.000 0.121 0.000 1.248 140 F CB -0.765 38.312 39.000 0.127 0.000 0.999 140 F HN 0.036 nan 8.300 nan 0.000 0.475 141 P HA -0.134 nan 4.420 nan 0.000 0.218 141 P C 1.055 177.949 177.300 -0.676 0.000 1.149 141 P CA 1.701 64.594 63.100 -0.345 0.000 0.817 141 P CB -0.084 31.482 31.700 -0.223 0.000 0.785 142 D N -0.613 119.536 120.400 -0.419 0.000 2.117 142 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 142 D C 1.942 177.646 176.300 -0.994 0.000 0.982 142 D CA 0.911 54.592 54.000 -0.532 0.000 0.828 142 D CB -0.586 40.102 40.800 -0.186 0.000 0.967 142 D HN 0.083 nan 8.370 nan 0.000 0.464 143 L N 2.027 122.746 121.223 -0.840 0.000 2.012 143 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 143 L C 1.854 178.321 176.870 -0.671 0.000 1.073 143 L CA 1.690 56.053 54.840 -0.796 0.000 0.748 143 L CB -0.853 41.032 42.059 -0.292 0.000 0.891 143 L HN -0.050 nan 8.230 nan 0.000 0.431 144 N N -0.510 117.812 118.700 -0.630 0.000 2.069 144 N HA -0.281 4.459 4.740 -0.000 0.000 0.191 144 N C 1.923 177.287 175.510 -0.244 0.000 1.031 144 N CA 2.344 55.145 53.050 -0.415 0.000 0.852 144 N CB -0.348 37.928 38.487 -0.352 0.000 1.018 144 N HN 0.710 nan 8.380 nan 0.000 0.423 145 H N -0.650 118.203 119.070 -0.361 0.000 2.457 145 H HA 0.078 4.634 4.556 -0.000 0.000 0.294 145 H C 1.855 176.967 175.328 -0.361 0.000 1.064 145 H CA 0.741 56.608 56.048 -0.303 0.000 1.330 145 H CB 0.211 29.822 29.762 -0.251 0.000 1.395 145 H HN 0.396 nan 8.280 nan 0.000 0.541 146 A N 0.855 123.418 122.820 -0.427 0.000 1.975 146 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 146 A C 2.362 179.665 177.584 -0.468 0.000 1.170 146 A CA 1.157 52.898 52.037 -0.494 0.000 0.656 146 A CB -0.332 18.201 19.000 -0.777 0.000 0.821 146 A HN 0.318 nan 8.150 nan 0.000 0.449 147 V N -3.174 116.467 119.914 -0.455 0.000 3.590 147 V HA 0.232 4.352 4.120 -0.000 0.000 0.265 147 V C 0.863 176.809 176.094 -0.246 0.000 1.239 147 V CA 0.535 62.591 62.300 -0.407 0.000 1.117 147 V CB -0.448 31.137 31.823 -0.397 0.000 0.818 147 V HN 0.333 nan 8.190 nan 0.000 0.451 148 K N 0.543 120.826 120.400 -0.194 0.000 2.617 148 K HA 0.521 4.841 4.320 -0.000 0.000 0.298 148 K C -0.135 176.397 176.600 -0.114 0.000 0.984 148 K CA -0.997 55.216 56.287 -0.123 0.000 1.299 148 K CB 0.403 32.853 32.500 -0.083 0.000 1.608 148 K HN 0.174 nan 8.250 nan 0.000 0.730 149 R N 1.593 122.040 120.500 -0.088 0.000 2.390 149 R HA 0.067 4.407 4.340 -0.000 0.000 0.291 149 R C -0.691 175.552 176.300 -0.095 0.000 1.070 149 R CA -0.282 55.770 56.100 -0.081 0.000 1.014 149 R CB 0.525 30.789 30.300 -0.060 0.000 1.007 149 R HN 0.512 nan 8.270 nan 0.000 0.466 150 D N 3.063 123.411 120.400 -0.087 0.000 2.488 150 D HA -0.004 4.636 4.640 -0.000 0.000 0.238 150 D C -1.401 174.847 176.300 -0.087 0.000 1.138 150 D CA -1.267 52.680 54.000 -0.088 0.000 0.873 150 D CB 0.995 41.754 40.800 -0.069 0.000 1.183 150 D HN 0.199 nan 8.370 nan 0.000 0.458 151 P HA -0.176 nan 4.420 nan 0.000 0.217 151 P C 1.008 178.267 177.300 -0.069 0.000 1.148 151 P CA 1.164 64.205 63.100 -0.098 0.000 0.828 151 P CB 0.166 31.802 31.700 -0.107 0.000 0.783 152 R N -0.852 119.613 120.500 -0.057 0.000 2.074 152 R HA -0.021 4.319 4.340 -0.000 0.000 0.218 152 R C 2.158 178.436 176.300 -0.038 0.000 1.137 152 R CA 1.793 57.867 56.100 -0.043 0.000 0.998 152 R CB -0.698 29.580 30.300 -0.036 0.000 0.895 152 R HN 0.177 nan 8.270 nan 0.000 0.442 153 T N -1.680 112.851 114.554 -0.038 0.000 3.055 153 T HA -0.050 4.300 4.350 -0.000 0.000 0.265 153 T C 0.762 175.443 174.700 -0.032 0.000 1.111 153 T CA 0.907 62.988 62.100 -0.031 0.000 1.118 153 T CB -0.261 68.589 68.868 -0.030 0.000 0.909 153 T HN 0.441 nan 8.240 nan 0.000 0.501 154 N N 0.342 119.018 118.700 -0.040 0.000 2.693 154 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 154 N C -0.673 174.816 175.510 -0.035 0.000 1.119 154 N CA 0.932 53.959 53.050 -0.039 0.000 0.717 154 N CB -1.621 36.848 38.487 -0.031 0.000 1.071 154 N HN 0.717 nan 8.380 nan 0.000 0.555 155 M N -0.305 119.272 119.600 -0.039 0.000 2.593 155 M HA 0.389 4.869 4.480 -0.000 0.000 0.290 155 M C 0.231 176.502 176.300 -0.049 0.000 1.244 155 M CA -0.808 54.471 55.300 -0.035 0.000 0.857 155 M CB 2.070 34.655 32.600 -0.025 0.000 1.738 155 M HN -0.099 nan 8.290 nan 0.000 0.461 156 R N 0.761 121.231 120.500 -0.050 0.000 2.698 156 R HA 0.217 4.557 4.340 -0.000 0.000 0.266 156 R C -0.166 176.098 176.300 -0.060 0.000 1.026 156 R CA 0.128 56.186 56.100 -0.070 0.000 1.102 156 R CB 0.476 30.734 30.300 -0.071 0.000 0.978 156 R HN 0.601 nan 8.270 nan 0.000 0.436 157 S N 0.762 116.413 115.700 -0.082 0.000 2.659 157 S HA 0.369 4.839 4.470 -0.000 0.000 0.312 157 S C 0.731 175.301 174.600 -0.051 0.000 1.114 157 S CA -0.317 57.849 58.200 -0.056 0.000 1.063 157 S CB 1.679 64.842 63.200 -0.063 0.000 0.996 157 S HN 0.674 nan 8.310 nan 0.000 0.478 158 A N 5.712 128.543 122.820 0.018 0.000 1.908 158 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 158 A C 2.197 179.873 177.584 0.154 0.000 1.181 158 A CA 1.499 53.612 52.037 0.128 0.000 0.627 158 A CB -0.597 18.493 19.000 0.151 0.000 0.818 158 A HN 0.784 nan 8.150 nan 0.000 0.445 159 K N 0.406 120.852 120.400 0.076 0.000 2.009 159 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 159 K C 1.732 178.355 176.600 0.039 0.000 1.049 159 K CA 2.093 58.423 56.287 0.072 0.000 0.929 159 K CB -0.667 31.854 32.500 0.035 0.000 0.714 159 K HN 0.697 nan 8.250 nan 0.000 0.440 160 N N 0.750 119.432 118.700 -0.030 0.000 2.069 160 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 160 N C 1.824 177.230 175.510 -0.174 0.000 1.031 160 N CA 1.060 54.059 53.050 -0.084 0.000 0.852 160 N CB -0.239 38.174 38.487 -0.124 0.000 1.018 160 N HN 0.256 nan 8.380 nan 0.000 0.423 161 N N 0.493 119.013 118.700 -0.300 0.000 2.043 161 N HA -0.163 4.577 4.740 -0.000 0.000 0.193 161 N C 1.310 176.369 175.510 -0.752 0.000 1.037 161 N CA 1.439 54.068 53.050 -0.701 0.000 0.851 161 N CB -0.286 37.694 38.487 -0.845 0.000 1.027 161 N HN 0.334 nan 8.380 nan 0.000 0.422 162 W N 0.855 121.994 121.300 -0.268 0.000 2.476 162 W HA 0.017 4.677 4.660 -0.000 0.000 0.281 162 W C 2.208 178.740 176.519 0.021 0.000 1.230 162 W CA 0.429 57.731 57.345 -0.072 0.000 1.287 162 W CB -0.417 29.030 29.460 -0.022 0.000 1.108 162 W HN 0.138 nan 8.180 nan 0.000 0.567 163 D N -0.035 120.477 120.400 0.186 0.000 2.104 163 D HA -0.277 4.363 4.640 -0.000 0.000 0.194 163 D C 1.871 178.261 176.300 0.150 0.000 0.994 163 D CA 1.482 55.572 54.000 0.150 0.000 0.830 163 D CB -0.544 40.316 40.800 0.101 0.000 0.959 163 D HN 0.086 nan 8.370 nan 0.000 0.452 164 F N -0.106 119.803 119.950 -0.069 0.000 2.060 164 F HA -0.112 4.415 4.527 -0.000 0.000 0.295 164 F C 1.964 177.786 175.800 0.036 0.000 1.120 164 F CA 1.455 59.409 58.000 -0.076 0.000 1.205 164 F CB -0.548 38.323 39.000 -0.215 0.000 0.986 164 F HN 0.028 nan 8.300 nan 0.000 0.470 165 W N 1.143 122.349 121.300 -0.156 0.000 2.318 165 W HA -0.224 4.435 4.660 -0.000 0.000 0.313 165 W C 2.909 179.373 176.519 -0.092 0.000 1.221 165 W CA 2.624 59.807 57.345 -0.270 0.000 1.266 165 W CB -1.935 27.265 29.460 -0.433 0.000 1.150 165 W HN 0.212 nan 8.180 nan 0.000 0.496 166 T N -3.630 111.113 114.554 0.314 0.000 3.035 166 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 166 T C 1.638 176.485 174.700 0.245 0.000 1.109 166 T CA 1.395 63.716 62.100 0.368 0.000 1.119 166 T CB -0.441 68.644 68.868 0.362 0.000 0.900 166 T HN -0.073 nan 8.240 nan 0.000 0.503 167 S N 0.857 116.600 115.700 0.072 0.000 2.558 167 S HA 0.349 4.819 4.470 -0.000 0.000 0.217 167 S C 0.481 175.017 174.600 -0.107 0.000 0.975 167 S CA 0.006 58.205 58.200 -0.001 0.000 0.912 167 S CB -0.203 62.977 63.200 -0.032 0.000 0.776 167 S HN 0.491 nan 8.310 nan 0.000 0.526 168 L N 2.655 123.769 121.223 -0.182 0.000 2.384 168 L HA 0.308 4.648 4.340 -0.000 0.000 0.261 168 L C -1.892 174.786 176.870 -0.320 0.000 1.024 168 L CA -1.869 52.816 54.840 -0.259 0.000 0.899 168 L CB 1.533 43.398 42.059 -0.324 0.000 1.243 168 L HN -0.085 nan 8.230 nan 0.000 0.449 169 P HA -0.212 nan 4.420 nan 0.000 0.219 169 P C 1.127 178.053 177.300 -0.623 0.000 1.146 169 P CA 1.163 63.775 63.100 -0.814 0.000 0.808 169 P CB 0.201 31.195 31.700 -1.177 0.000 0.779 170 E N 0.797 120.678 120.200 -0.531 0.000 2.267 170 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 170 E C 1.725 178.283 176.600 -0.071 0.000 0.998 170 E CA 1.452 57.781 56.400 -0.117 0.000 0.830 170 E CB -1.135 28.577 29.700 0.019 0.000 0.751 170 E HN 0.203 nan 8.360 nan 0.000 0.491 171 A N 1.144 123.899 122.820 -0.107 0.000 2.168 171 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 171 A C 2.115 179.664 177.584 -0.058 0.000 1.152 171 A CA 0.586 52.589 52.037 -0.056 0.000 0.716 171 A CB -0.507 18.437 19.000 -0.093 0.000 0.794 171 A HN 0.254 nan 8.150 nan 0.000 0.465 172 L N -0.549 120.665 121.223 -0.015 0.000 2.042 172 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 172 L C 2.182 179.138 176.870 0.144 0.000 1.076 172 L CA 2.594 57.495 54.840 0.103 0.000 0.749 172 L CB -0.882 41.277 42.059 0.167 0.000 0.893 172 L HN 0.660 nan 8.230 nan 0.000 0.432 173 H N -1.706 117.355 119.070 -0.016 0.000 2.290 173 H HA -0.254 4.302 4.556 -0.000 0.000 0.298 173 H C 2.195 177.446 175.328 -0.127 0.000 1.087 173 H CA 1.558 57.581 56.048 -0.040 0.000 1.291 173 H CB 0.296 30.015 29.762 -0.070 0.000 1.369 173 H HN 0.369 nan 8.280 nan 0.000 0.492 174 Q N 0.412 120.099 119.800 -0.188 0.000 2.172 174 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 174 Q C 2.351 178.125 176.000 -0.377 0.000 0.964 174 Q CA 1.304 56.804 55.803 -0.505 0.000 0.855 174 Q CB -0.250 27.809 28.738 -1.132 0.000 0.918 174 Q HN 0.361 nan 8.270 nan 0.000 0.444 175 V N 0.176 119.938 119.914 -0.252 0.000 2.332 175 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 175 V C 2.098 178.199 176.094 0.012 0.000 1.055 175 V CA 2.225 64.352 62.300 -0.289 0.000 1.038 175 V CB -1.025 30.543 31.823 -0.424 0.000 0.651 175 V HN 0.454 nan 8.190 nan 0.000 0.450 176 T N 0.308 114.947 114.554 0.142 0.000 2.708 176 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 176 T C 1.821 176.585 174.700 0.106 0.000 1.037 176 T CA 1.863 64.097 62.100 0.224 0.000 1.146 176 T CB -0.291 68.734 68.868 0.261 0.000 0.865 176 T HN 0.359 nan 8.240 nan 0.000 0.435 177 I N 0.527 121.115 120.570 0.030 0.000 2.179 177 I HA -0.127 4.043 4.170 -0.000 0.000 0.242 177 I C 2.550 178.672 176.117 0.009 0.000 1.088 177 I CA 0.953 62.246 61.300 -0.012 0.000 1.357 177 I CB -0.409 37.527 38.000 -0.106 0.000 1.051 177 I HN 0.090 nan 8.210 nan 0.000 0.409 178 V N 0.725 120.634 119.914 -0.007 0.000 2.809 178 V HA -0.171 3.949 4.120 -0.000 0.000 0.256 178 V C 2.165 178.335 176.094 0.128 0.000 1.080 178 V CA 1.331 63.670 62.300 0.064 0.000 1.102 178 V CB -0.076 31.809 31.823 0.104 0.000 0.705 178 V HN 0.326 nan 8.190 nan 0.000 0.475 179 M N 0.108 119.797 119.600 0.149 0.000 2.541 179 M HA 0.145 4.625 4.480 -0.000 0.000 0.252 179 M C 1.323 177.713 176.300 0.151 0.000 1.125 179 M CA 0.613 56.039 55.300 0.210 0.000 1.091 179 M CB -0.817 31.974 32.600 0.319 0.000 1.420 179 M HN 0.607 nan 8.290 nan 0.000 0.486 180 S N 1.107 116.867 115.700 0.100 0.000 2.640 180 S HA 0.071 4.541 4.470 -0.000 0.000 0.262 180 S C 1.062 175.691 174.600 0.049 0.000 1.232 180 S CA -0.040 58.190 58.200 0.051 0.000 0.988 180 S CB 0.691 63.904 63.200 0.022 0.000 1.034 180 S HN 0.384 nan 8.310 nan 0.000 0.569 181 D N 0.296 120.709 120.400 0.021 0.000 2.221 181 D HA -0.193 4.447 4.640 -0.000 0.000 0.204 181 D C 1.484 177.808 176.300 0.041 0.000 0.982 181 D CA 1.152 55.166 54.000 0.025 0.000 0.857 181 D CB -0.458 40.343 40.800 0.002 0.000 0.934 181 D HN 0.628 nan 8.370 nan 0.000 0.475 182 R N 0.048 120.576 120.500 0.046 0.000 2.313 182 R HA 0.191 4.531 4.340 -0.000 0.000 0.199 182 R C 2.182 178.532 176.300 0.084 0.000 0.958 182 R CA 0.504 56.642 56.100 0.064 0.000 1.047 182 R CB -0.117 30.223 30.300 0.066 0.000 0.955 182 R HN 0.311 nan 8.270 nan 0.000 0.481 183 G N 1.206 110.057 108.800 0.084 0.000 2.471 183 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.219 183 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.219 183 G C 0.790 175.753 174.900 0.106 0.000 1.125 183 G CA 0.364 45.525 45.100 0.102 0.000 0.775 183 G HN 0.181 nan 8.290 nan 0.000 0.548 184 I N 1.456 122.084 120.570 0.096 0.000 2.537 184 I HA 0.256 4.426 4.170 -0.000 0.000 0.276 184 I C -2.678 173.507 176.117 0.114 0.000 1.063 184 I CA -2.140 59.218 61.300 0.097 0.000 1.144 184 I CB 2.284 40.332 38.000 0.080 0.000 1.252 184 I HN -0.181 nan 8.210 nan 0.000 0.480 185 P HA 0.071 nan 4.420 nan 0.000 0.269 185 P C 0.740 178.150 177.300 0.183 0.000 1.209 185 P CA 0.054 63.252 63.100 0.164 0.000 0.776 185 P CB 1.201 33.033 31.700 0.220 0.000 0.876 186 A N 2.397 125.250 122.820 0.055 0.000 1.969 186 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 186 A C 1.032 178.439 177.584 -0.295 0.000 1.169 186 A CA 2.132 54.132 52.037 -0.061 0.000 0.635 186 A CB -0.884 18.028 19.000 -0.146 0.000 0.810 186 A HN 0.654 nan 8.150 nan 0.000 0.445 187 T N -6.581 107.857 114.554 -0.194 0.000 2.816 187 T HA 0.484 4.834 4.350 -0.000 0.000 0.299 187 T C 0.269 174.944 174.700 -0.041 0.000 1.230 187 T CA -0.444 61.419 62.100 -0.395 0.000 1.007 187 T CB 0.305 69.111 68.868 -0.104 0.000 1.289 187 T HN 0.049 nan 8.240 nan 0.000 0.508 188 Y N 0.596 120.913 120.300 0.029 0.000 2.421 188 Y HA 0.163 4.713 4.550 -0.000 0.000 0.292 188 Y C 2.715 178.528 175.900 -0.144 0.000 1.136 188 Y CA 0.587 58.597 58.100 -0.151 0.000 1.255 188 Y CB -0.525 37.685 38.460 -0.416 0.000 0.991 188 Y HN 0.527 nan 8.280 nan 0.000 0.552 189 R N -0.844 119.702 120.500 0.077 0.000 2.236 189 R HA -0.028 4.312 4.340 -0.000 0.000 0.208 189 R C 0.181 176.295 176.300 -0.309 0.000 1.036 189 R CA 0.793 56.837 56.100 -0.095 0.000 1.001 189 R CB -0.132 29.988 30.300 -0.299 0.000 0.896 189 R HN 0.433 nan 8.270 nan 0.000 0.464 190 H N 0.402 119.497 119.070 0.041 0.000 2.507 190 H HA 0.232 4.788 4.556 -0.000 0.000 0.281 190 H C -0.009 175.345 175.328 0.042 0.000 1.160 190 H CA -0.084 55.960 56.048 -0.007 0.000 0.981 190 H CB 0.077 29.812 29.762 -0.045 0.000 1.665 190 H HN 0.159 nan 8.280 nan 0.000 0.554 191 M N -1.293 118.449 119.600 0.236 0.000 2.550 191 M HA 0.443 4.923 4.480 -0.000 0.000 0.292 191 M C -1.300 175.239 176.300 0.399 0.000 1.221 191 M CA -1.033 54.409 55.300 0.237 0.000 0.873 191 M CB 2.760 35.548 32.600 0.314 0.000 1.727 191 M HN -0.129 nan 8.290 nan 0.000 0.459 192 H N 0.513 119.782 119.070 0.331 0.000 2.546 192 H HA 0.717 5.273 4.556 -0.000 0.000 0.365 192 H C -0.054 175.127 175.328 -0.245 0.000 1.220 192 H CA -0.057 56.070 56.048 0.132 0.000 1.386 192 H CB 1.452 31.218 29.762 0.006 0.000 1.510 192 H HN 0.941 nan 8.280 nan 0.000 0.591 193 G N 0.154 108.459 108.800 -0.824 0.000 2.481 193 G HA2 0.555 4.515 3.960 -0.000 0.000 0.315 193 G HA3 0.555 4.515 3.960 -0.000 0.000 0.315 193 G C -1.548 172.762 174.900 -0.984 0.000 1.231 193 G CA -0.469 43.703 45.100 -1.547 0.000 0.968 193 G HN 0.321 nan 8.290 nan 0.000 0.482 194 F N -0.347 119.475 119.950 -0.213 0.000 2.591 194 F HA 0.481 5.008 4.527 -0.000 0.000 0.309 194 F C 1.172 176.992 175.800 0.033 0.000 1.098 194 F CA -0.473 57.481 58.000 -0.077 0.000 0.937 194 F CB 2.481 41.383 39.000 -0.164 0.000 1.250 194 F HN 0.604 nan 8.300 nan 0.000 0.447 195 G N 0.290 109.287 108.800 0.328 0.000 2.443 195 G HA2 0.105 4.065 3.960 -0.000 0.000 0.219 195 G HA3 0.105 4.065 3.960 -0.000 0.000 0.219 195 G C 0.934 176.025 174.900 0.319 0.000 1.131 195 G CA 1.008 46.356 45.100 0.415 0.000 0.775 195 G HN 0.737 nan 8.290 nan 0.000 0.547 196 S N -0.979 114.796 115.700 0.126 0.000 2.260 196 S HA -0.239 4.231 4.470 -0.000 0.000 0.243 196 S C 0.815 175.292 174.600 -0.205 0.000 1.065 196 S CA 1.202 59.323 58.200 -0.131 0.000 2.199 196 S CB -1.343 61.709 63.200 -0.246 0.000 1.307 196 S HN 0.694 nan 8.310 nan 0.000 0.497 197 H N 2.656 121.693 119.070 -0.055 0.000 2.929 197 H HA 0.180 4.736 4.556 -0.000 0.000 0.358 197 H C 0.562 175.727 175.328 -0.272 0.000 1.111 197 H CA 1.106 57.006 56.048 -0.248 0.000 1.409 197 H CB -0.096 29.326 29.762 -0.566 0.000 1.373 197 H HN 0.415 nan 8.280 nan 0.000 0.610 198 T N 4.148 118.617 114.554 -0.141 0.000 2.853 198 T HA 0.132 4.482 4.350 -0.000 0.000 0.298 198 T C 0.358 174.999 174.700 -0.097 0.000 0.978 198 T CA 0.321 62.363 62.100 -0.097 0.000 1.152 198 T CB -0.175 68.745 68.868 0.088 0.000 0.914 198 T HN 0.243 nan 8.240 nan 0.000 0.539 199 F N 0.765 120.817 119.950 0.170 0.000 2.656 199 F HA 0.659 5.186 4.527 -0.000 0.000 0.394 199 F C 0.879 176.887 175.800 0.348 0.000 1.168 199 F CA -0.887 57.284 58.000 0.285 0.000 1.135 199 F CB 1.140 40.350 39.000 0.350 0.000 1.480 199 F HN 0.519 nan 8.300 nan 0.000 0.500 200 S N -0.259 115.739 115.700 0.497 0.000 2.548 200 S HA 0.708 5.178 4.470 -0.000 0.000 0.286 200 S C -1.547 173.186 174.600 0.221 0.000 1.098 200 S CA -0.706 57.664 58.200 0.285 0.000 0.930 200 S CB 1.578 64.895 63.200 0.195 0.000 1.070 200 S HN 0.218 nan 8.310 nan 0.000 0.480 201 F N 1.490 121.523 119.950 0.138 0.000 2.422 201 F HA 0.612 5.138 4.527 -0.000 0.000 0.333 201 F C 0.040 175.901 175.800 0.102 0.000 1.095 201 F CA -1.991 56.079 58.000 0.116 0.000 1.038 201 F CB 1.383 40.462 39.000 0.132 0.000 1.156 201 F HN 0.450 nan 8.300 nan 0.000 0.483 202 I N 3.728 124.457 120.570 0.264 0.000 2.436 202 I HA 0.220 4.390 4.170 -0.000 0.000 0.289 202 I C -0.205 175.976 176.117 0.107 0.000 1.010 202 I CA -0.869 60.517 61.300 0.143 0.000 1.098 202 I CB 1.340 39.376 38.000 0.060 0.000 1.266 202 I HN 0.533 nan 8.210 nan 0.000 0.434 203 N N 3.254 122.026 118.700 0.120 0.000 2.476 203 N HA 0.183 4.923 4.740 -0.000 0.000 0.287 203 N C 0.631 176.147 175.510 0.011 0.000 1.262 203 N CA -0.551 52.531 53.050 0.054 0.000 0.980 203 N CB 0.400 38.932 38.487 0.076 0.000 1.163 203 N HN 0.342 nan 8.380 nan 0.000 0.592 204 S N -1.209 114.481 115.700 -0.016 0.000 2.440 204 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 204 S C 0.167 174.749 174.600 -0.030 0.000 1.010 204 S CA 0.960 59.141 58.200 -0.032 0.000 0.972 204 S CB -0.392 62.783 63.200 -0.041 0.000 0.774 204 S HN 0.557 nan 8.310 nan 0.000 0.501 205 D N 0.955 121.346 120.400 -0.015 0.000 2.325 205 D HA 0.142 4.782 4.640 -0.000 0.000 0.225 205 D C 0.172 176.461 176.300 -0.017 0.000 1.096 205 D CA 0.008 53.998 54.000 -0.017 0.000 0.844 205 D CB -0.216 40.577 40.800 -0.011 0.000 0.925 205 D HN 0.099 nan 8.370 nan 0.000 0.513 206 N N 1.487 120.180 118.700 -0.012 0.000 2.725 206 N HA -0.190 4.549 4.740 -0.000 0.000 0.249 206 N C -0.743 174.750 175.510 -0.028 0.000 1.103 206 N CA 0.632 53.672 53.050 -0.016 0.000 0.707 206 N CB -0.897 37.575 38.487 -0.025 0.000 1.043 206 N HN 0.460 nan 8.380 nan 0.000 0.553 207 E N 0.156 120.347 120.200 -0.015 0.000 2.277 207 E HA 0.279 4.629 4.350 -0.000 0.000 0.274 207 E C 0.463 177.010 176.600 -0.088 0.000 1.022 207 E CA -0.612 55.744 56.400 -0.075 0.000 0.853 207 E CB 1.648 31.314 29.700 -0.057 0.000 1.086 207 E HN 0.162 nan 8.360 nan 0.000 0.397 208 R N 2.683 123.022 120.500 -0.268 0.000 2.514 208 R HA 0.323 4.663 4.340 -0.000 0.000 0.301 208 R C -1.519 174.434 176.300 -0.577 0.000 0.962 208 R CA -0.454 55.460 56.100 -0.310 0.000 0.882 208 R CB 0.684 30.748 30.300 -0.393 0.000 1.143 208 R HN 0.502 nan 8.270 nan 0.000 0.452 209 Y N 2.409 122.581 120.300 -0.214 0.000 2.409 209 Y HA 0.333 4.883 4.550 -0.000 0.000 0.343 209 Y C -0.659 175.088 175.900 -0.255 0.000 0.973 209 Y CA -0.633 57.351 58.100 -0.194 0.000 1.064 209 Y CB 1.257 39.756 38.460 0.064 0.000 1.207 209 Y HN 0.535 nan 8.280 nan 0.000 0.452 210 W N 2.726 124.149 121.300 0.205 0.000 2.202 210 W HA 0.559 5.219 4.660 -0.000 0.000 0.332 210 W C -0.434 176.205 176.519 0.200 0.000 1.263 210 W CA -0.549 56.935 57.345 0.232 0.000 1.223 210 W CB 0.841 30.474 29.460 0.288 0.000 1.128 210 W HN 0.266 nan 8.180 nan 0.000 0.573 211 V N 3.598 123.667 119.914 0.257 0.000 2.932 211 V HA 0.468 4.588 4.120 -0.000 0.000 0.307 211 V C -1.089 174.688 176.094 -0.528 0.000 1.147 211 V CA -1.213 60.911 62.300 -0.293 0.000 0.951 211 V CB 2.055 33.258 31.823 -1.033 0.000 1.031 211 V HN 0.418 nan 8.190 nan 0.000 0.426 212 K N 4.872 124.877 120.400 -0.659 0.000 2.270 212 K HA 0.561 4.881 4.320 -0.000 0.000 0.255 212 K C -1.469 174.848 176.600 -0.471 0.000 0.936 212 K CA -0.239 55.706 56.287 -0.571 0.000 0.809 212 K CB 2.020 34.183 32.500 -0.562 0.000 1.131 212 K HN 0.528 nan 8.250 nan 0.000 0.427 213 F N 2.200 122.118 119.950 -0.053 0.000 2.420 213 F HA 0.322 4.849 4.527 -0.000 0.000 0.342 213 F C 0.844 176.486 175.800 -0.265 0.000 1.113 213 F CA -0.361 57.580 58.000 -0.100 0.000 1.059 213 F CB 1.005 40.003 39.000 -0.005 0.000 1.128 213 F HN 0.258 nan 8.300 nan 0.000 0.475 214 H N 3.697 122.626 119.070 -0.236 0.000 2.609 214 H HA 0.349 4.905 4.556 -0.000 0.000 0.344 214 H C -1.447 173.502 175.328 -0.632 0.000 1.040 214 H CA -0.710 55.113 56.048 -0.376 0.000 1.216 214 H CB 1.926 31.549 29.762 -0.232 0.000 1.529 214 H HN 0.423 nan 8.280 nan 0.000 0.519 215 F N 2.159 121.942 119.950 -0.279 0.000 2.347 215 F HA 0.214 4.741 4.527 -0.000 0.000 0.366 215 F C 0.223 176.006 175.800 -0.027 0.000 1.107 215 F CA -0.800 57.162 58.000 -0.063 0.000 1.058 215 F CB 1.348 40.295 39.000 -0.087 0.000 1.236 215 F HN 0.158 nan 8.300 nan 0.000 0.456 216 V N 2.641 122.653 119.914 0.164 0.000 2.406 216 V HA 0.182 4.302 4.120 -0.000 0.000 0.272 216 V C 0.463 176.725 176.094 0.279 0.000 1.043 216 V CA -0.617 61.715 62.300 0.053 0.000 0.915 216 V CB 1.311 33.074 31.823 -0.100 0.000 0.988 216 V HN 0.785 nan 8.190 nan 0.000 0.466 217 S N 3.831 119.809 115.700 0.462 0.000 2.525 217 S HA 0.043 4.513 4.470 -0.000 0.000 0.285 217 S C 1.038 175.532 174.600 -0.177 0.000 1.283 217 S CA -0.112 57.992 58.200 -0.160 0.000 1.072 217 S CB 0.515 63.666 63.200 -0.081 0.000 0.867 217 S HN 0.803 nan 8.310 nan 0.000 0.492 218 Q N 2.847 122.422 119.800 -0.375 0.000 2.451 218 Q HA 0.003 4.343 4.340 -0.000 0.000 0.206 218 Q C 1.092 176.961 176.000 -0.219 0.000 0.947 218 Q CA 0.561 56.231 55.803 -0.221 0.000 0.937 218 Q CB 0.111 28.730 28.738 -0.198 0.000 1.025 218 Q HN 0.706 nan 8.270 nan 0.000 0.511 219 Q N -0.476 119.126 119.800 -0.329 0.000 2.392 219 Q HA 0.182 4.522 4.340 -0.000 0.000 0.203 219 Q C 0.517 176.472 176.000 -0.075 0.000 0.917 219 Q CA 0.540 56.181 55.803 -0.271 0.000 0.939 219 Q CB 0.967 29.354 28.738 -0.585 0.000 1.063 219 Q HN 0.369 nan 8.270 nan 0.000 0.516 220 G N 0.434 109.203 108.800 -0.052 0.000 2.782 220 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.228 220 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.228 220 G C -0.824 174.103 174.900 0.044 0.000 1.372 220 G CA -0.741 44.379 45.100 0.034 0.000 0.862 220 G HN 0.084 nan 8.290 nan 0.000 0.547 221 I N 0.942 121.522 120.570 0.016 0.000 2.353 221 I HA 0.506 4.676 4.170 -0.000 0.000 0.293 221 I C 0.570 176.698 176.117 0.017 0.000 0.992 221 I CA -0.143 61.150 61.300 -0.011 0.000 1.268 221 I CB 1.291 39.248 38.000 -0.070 0.000 1.387 221 I HN 0.495 nan 8.210 nan 0.000 0.478 222 K N 5.602 126.013 120.400 0.019 0.000 2.482 222 K HA 0.493 4.813 4.320 -0.000 0.000 0.251 222 K C -1.019 175.559 176.600 -0.036 0.000 0.936 222 K CA -0.816 55.421 56.287 -0.083 0.000 0.791 222 K CB 2.596 34.892 32.500 -0.340 0.000 1.213 222 K HN 0.506 nan 8.250 nan 0.000 0.428 223 N N 2.282 120.963 118.700 -0.032 0.000 2.469 223 N HA 0.544 5.284 4.740 -0.000 0.000 0.286 223 N C -0.978 174.530 175.510 -0.003 0.000 1.275 223 N CA -0.667 52.387 53.050 0.006 0.000 0.790 223 N CB 1.627 40.127 38.487 0.021 0.000 1.446 223 N HN 0.285 nan 8.380 nan 0.000 0.501 224 L N 0.705 121.942 121.223 0.025 0.000 2.346 224 L HA 0.420 4.760 4.340 -0.000 0.000 0.274 224 L C 0.887 177.776 176.870 0.032 0.000 1.007 224 L CA -0.785 54.069 54.840 0.023 0.000 0.818 224 L CB 1.788 43.872 42.059 0.041 0.000 1.284 224 L HN 0.637 nan 8.230 nan 0.000 0.424 225 S N -0.173 115.541 115.700 0.024 0.000 2.608 225 S HA 0.075 4.545 4.470 -0.000 0.000 0.261 225 S C 0.603 175.228 174.600 0.040 0.000 1.314 225 S CA -0.560 57.659 58.200 0.031 0.000 0.992 225 S CB 1.038 64.252 63.200 0.024 0.000 0.935 225 S HN 0.624 nan 8.310 nan 0.000 0.564 226 D N 1.347 121.775 120.400 0.048 0.000 2.123 226 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 226 D C 2.197 178.521 176.300 0.040 0.000 0.992 226 D CA 1.954 55.985 54.000 0.051 0.000 0.833 226 D CB -0.828 40.008 40.800 0.060 0.000 0.954 226 D HN 0.713 nan 8.370 nan 0.000 0.455 227 A N 0.748 123.589 122.820 0.034 0.000 1.898 227 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 227 A C 2.101 179.699 177.584 0.023 0.000 1.181 227 A CA 1.403 53.456 52.037 0.027 0.000 0.620 227 A CB -0.480 18.534 19.000 0.023 0.000 0.819 227 A HN 0.191 nan 8.150 nan 0.000 0.442 228 E N -0.206 120.007 120.200 0.021 0.000 2.077 228 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 228 E C 2.315 178.929 176.600 0.024 0.000 0.989 228 E CA 1.048 57.459 56.400 0.017 0.000 0.800 228 E CB -0.282 29.425 29.700 0.012 0.000 0.746 228 E HN 0.617 nan 8.360 nan 0.000 0.452 229 A N 1.018 123.858 122.820 0.033 0.000 1.902 229 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 229 A C 2.424 180.029 177.584 0.035 0.000 1.181 229 A CA 1.711 53.773 52.037 0.042 0.000 0.623 229 A CB -1.175 17.854 19.000 0.048 0.000 0.818 229 A HN 0.373 nan 8.150 nan 0.000 0.443 230 G N -0.519 108.300 108.800 0.032 0.000 2.446 230 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 230 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 230 G C 1.488 176.402 174.900 0.023 0.000 1.168 230 G CA 1.148 46.264 45.100 0.027 0.000 0.771 230 G HN 0.666 nan 8.290 nan 0.000 0.551 231 E N -0.315 119.898 120.200 0.021 0.000 2.085 231 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 231 E C 2.411 179.023 176.600 0.019 0.000 0.994 231 E CA 1.032 57.442 56.400 0.017 0.000 0.801 231 E CB -0.203 29.505 29.700 0.014 0.000 0.743 231 E HN 0.308 nan 8.360 nan 0.000 0.453 232 L N 0.491 121.727 121.223 0.022 0.000 2.017 232 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 232 L C 2.314 179.202 176.870 0.030 0.000 1.073 232 L CA 1.429 56.285 54.840 0.026 0.000 0.745 232 L CB -0.584 41.496 42.059 0.036 0.000 0.894 232 L HN 0.047 nan 8.230 nan 0.000 0.432 233 V N 0.170 120.102 119.914 0.031 0.000 2.407 233 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 233 V C 2.646 178.754 176.094 0.023 0.000 1.055 233 V CA 1.672 63.989 62.300 0.028 0.000 1.049 233 V CB -1.661 30.177 31.823 0.024 0.000 0.662 233 V HN 0.649 nan 8.190 nan 0.000 0.455 234 G N 0.102 108.914 108.800 0.020 0.000 2.469 234 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 234 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 234 G C 1.378 176.288 174.900 0.017 0.000 1.150 234 G CA 1.427 46.537 45.100 0.017 0.000 0.763 234 G HN 0.641 nan 8.290 nan 0.000 0.561 235 N N -0.583 118.127 118.700 0.018 0.000 2.333 235 N HA 0.103 4.843 4.740 -0.000 0.000 0.178 235 N C -0.391 175.131 175.510 0.020 0.000 1.018 235 N CA 0.689 53.749 53.050 0.017 0.000 0.882 235 N CB 0.380 38.877 38.487 0.015 0.000 0.984 235 N HN 0.128 nan 8.380 nan 0.000 0.434 236 D N -1.000 119.414 120.400 0.024 0.000 2.591 236 D HA 0.236 4.876 4.640 -0.000 0.000 0.222 236 D C -0.346 175.975 176.300 0.035 0.000 1.360 236 D CA -0.379 53.639 54.000 0.029 0.000 0.967 236 D CB 0.881 41.700 40.800 0.032 0.000 1.456 236 D HN -0.246 nan 8.370 nan 0.000 0.588 237 R N 1.126 121.645 120.500 0.031 0.000 2.299 237 R HA 0.139 4.479 4.340 -0.000 0.000 0.197 237 R C 0.613 176.937 176.300 0.041 0.000 0.971 237 R CA 0.719 56.838 56.100 0.031 0.000 1.030 237 R CB 0.372 30.686 30.300 0.024 0.000 0.932 237 R HN 0.287 nan 8.270 nan 0.000 0.477 238 E N -0.981 119.248 120.200 0.049 0.000 2.569 238 E HA 0.090 4.439 4.350 -0.000 0.000 0.205 238 E C 0.787 177.440 176.600 0.087 0.000 1.006 238 E CA 0.192 56.630 56.400 0.062 0.000 0.985 238 E CB 0.629 30.355 29.700 0.043 0.000 1.060 238 E HN 0.202 nan 8.360 nan 0.000 0.460 239 S N 0.278 116.041 115.700 0.104 0.000 2.387 239 S HA -0.222 4.247 4.470 -0.000 0.000 0.230 239 S C 1.724 176.369 174.600 0.075 0.000 1.035 239 S CA 1.101 59.362 58.200 0.103 0.000 1.014 239 S CB -0.574 62.706 63.200 0.133 0.000 0.836 239 S HN 0.469 nan 8.310 nan 0.000 0.466 240 H N 0.454 119.464 119.070 -0.100 0.000 2.415 240 H HA 0.056 4.612 4.556 -0.000 0.000 0.297 240 H C 2.540 177.867 175.328 -0.001 0.000 1.048 240 H CA 1.305 57.215 56.048 -0.232 0.000 1.365 240 H CB -0.107 29.221 29.762 -0.724 0.000 1.421 240 H HN 0.464 nan 8.280 nan 0.000 0.533 241 Q N 2.050 121.991 119.800 0.235 0.000 2.030 241 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 241 Q C 2.358 178.459 176.000 0.168 0.000 0.986 241 Q CA 1.619 57.569 55.803 0.245 0.000 0.843 241 Q CB -0.217 28.635 28.738 0.190 0.000 0.904 241 Q HN 0.226 nan 8.270 nan 0.000 0.420 242 R N -0.204 120.362 120.500 0.111 0.000 2.096 242 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 242 R C 1.939 178.284 176.300 0.074 0.000 1.139 242 R CA 2.075 58.223 56.100 0.080 0.000 0.952 242 R CB -0.557 29.775 30.300 0.053 0.000 0.854 242 R HN 0.578 nan 8.270 nan 0.000 0.436 243 D N -0.396 120.031 120.400 0.046 0.000 2.097 243 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 243 D C 1.933 178.287 176.300 0.090 0.000 0.989 243 D CA 1.080 55.097 54.000 0.029 0.000 0.827 243 D CB -0.027 40.737 40.800 -0.060 0.000 0.966 243 D HN 0.174 nan 8.370 nan 0.000 0.456 244 L N 0.079 121.390 121.223 0.147 0.000 1.994 244 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 244 L C 2.229 179.219 176.870 0.201 0.000 1.071 244 L CA 1.466 56.436 54.840 0.215 0.000 0.745 244 L CB -0.971 41.283 42.059 0.326 0.000 0.892 244 L HN 0.277 nan 8.230 nan 0.000 0.431 245 L N -0.454 120.881 121.223 0.187 0.000 1.989 245 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 245 L C 2.046 179.006 176.870 0.150 0.000 1.071 245 L CA 2.166 57.110 54.840 0.174 0.000 0.749 245 L CB -0.814 41.339 42.059 0.156 0.000 0.890 245 L HN 0.330 nan 8.230 nan 0.000 0.431 246 D N -1.121 119.351 120.400 0.119 0.000 2.117 246 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 246 D C 2.354 178.710 176.300 0.094 0.000 0.982 246 D CA 1.385 55.441 54.000 0.094 0.000 0.828 246 D CB -0.174 40.666 40.800 0.066 0.000 0.967 246 D HN 0.307 nan 8.370 nan 0.000 0.464 247 S N 0.246 116.008 115.700 0.103 0.000 2.359 247 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 247 S C 2.153 176.842 174.600 0.148 0.000 1.035 247 S CA 0.663 58.922 58.200 0.098 0.000 1.018 247 S CB -0.199 63.064 63.200 0.105 0.000 0.876 247 S HN 0.266 nan 8.310 nan 0.000 0.448 248 I N 1.477 122.193 120.570 0.243 0.000 2.252 248 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 248 I C 1.895 178.222 176.117 0.350 0.000 1.102 248 I CA 1.112 62.653 61.300 0.402 0.000 1.385 248 I CB -0.448 37.760 38.000 0.346 0.000 1.064 248 I HN 0.166 nan 8.210 nan 0.000 0.414 249 D N 0.891 121.420 120.400 0.215 0.000 2.221 249 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 249 D C 1.203 177.565 176.300 0.103 0.000 0.982 249 D CA 1.246 55.342 54.000 0.160 0.000 0.857 249 D CB -0.415 40.458 40.800 0.122 0.000 0.934 249 D HN 0.413 nan 8.370 nan 0.000 0.475 250 N N 0.229 118.965 118.700 0.059 0.000 2.251 250 N HA 0.067 4.807 4.740 -0.000 0.000 0.217 250 N C -0.503 174.926 175.510 -0.135 0.000 1.124 250 N CA -0.099 52.942 53.050 -0.015 0.000 0.843 250 N CB 0.407 38.888 38.487 -0.010 0.000 1.024 250 N HN -0.030 nan 8.380 nan 0.000 0.501 251 Q N 0.195 119.834 119.800 -0.268 0.000 2.457 251 Q HA -0.212 4.128 4.340 -0.000 0.000 0.283 251 Q C -0.975 174.575 176.000 -0.750 0.000 1.234 251 Q CA 0.566 55.846 55.803 -0.871 0.000 0.877 251 Q CB -1.215 27.177 28.738 -0.577 0.000 1.250 251 Q HN 0.386 nan 8.270 nan 0.000 0.481 252 D N 0.189 120.343 120.400 -0.409 0.000 2.781 252 D HA 0.210 4.850 4.640 -0.000 0.000 0.254 252 D C -0.564 175.713 176.300 -0.039 0.000 1.213 252 D CA -0.294 53.586 54.000 -0.200 0.000 0.994 252 D CB -0.427 40.328 40.800 -0.075 0.000 1.019 252 D HN 0.155 nan 8.370 nan 0.000 0.514 253 F N 2.567 122.533 119.950 0.026 0.000 2.506 253 F HA 0.219 4.746 4.527 -0.000 0.000 0.371 253 F C -1.291 174.505 175.800 -0.006 0.000 1.078 253 F CA -1.868 56.162 58.000 0.049 0.000 1.195 253 F CB 0.601 39.647 39.000 0.077 0.000 1.099 253 F HN 0.097 nan 8.300 nan 0.000 0.548 254 P HA 0.206 nan 4.420 nan 0.000 0.279 254 P C -1.174 176.047 177.300 -0.130 0.000 1.239 254 P CA -0.460 62.573 63.100 -0.112 0.000 0.789 254 P CB 1.369 33.010 31.700 -0.099 0.000 0.933 255 K N 2.129 122.268 120.400 -0.435 0.000 2.375 255 K HA 0.536 4.856 4.320 -0.000 0.000 0.249 255 K C -0.814 175.447 176.600 -0.564 0.000 0.942 255 K CA -0.495 55.613 56.287 -0.300 0.000 0.806 255 K CB 2.308 34.733 32.500 -0.126 0.000 1.227 255 K HN 0.532 nan 8.250 nan 0.000 0.430 256 W N 0.704 121.743 121.300 -0.434 0.000 2.936 256 W HA 0.256 4.916 4.660 -0.000 0.000 0.338 256 W C -0.623 175.893 176.519 -0.006 0.000 1.121 256 W CA -0.675 56.547 57.345 -0.205 0.000 1.209 256 W CB 2.504 31.866 29.460 -0.163 0.000 1.420 256 W HN 0.378 nan 8.180 nan 0.000 0.516 257 T N 3.523 118.243 114.554 0.276 0.000 2.744 257 T HA 0.236 4.585 4.350 -0.000 0.000 0.291 257 T C -0.387 174.464 174.700 0.251 0.000 0.957 257 T CA -0.508 61.731 62.100 0.232 0.000 1.002 257 T CB 0.898 69.824 68.868 0.098 0.000 0.919 257 T HN 0.177 nan 8.240 nan 0.000 0.468 258 L N 4.976 126.394 121.223 0.326 0.000 2.319 258 L HA 0.445 4.785 4.340 -0.000 0.000 0.280 258 L C -0.261 176.609 176.870 0.001 0.000 1.099 258 L CA 0.401 55.287 54.840 0.077 0.000 0.828 258 L CB -0.134 42.100 42.059 0.293 0.000 1.150 258 L HN 0.505 nan 8.230 nan 0.000 0.442 259 K N 4.763 125.094 120.400 -0.114 0.000 2.426 259 K HA 0.768 5.088 4.320 -0.000 0.000 0.251 259 K C -1.372 175.164 176.600 -0.106 0.000 0.941 259 K CA -0.965 55.246 56.287 -0.127 0.000 0.808 259 K CB 2.565 34.954 32.500 -0.184 0.000 1.265 259 K HN 0.491 nan 8.250 nan 0.000 0.432 260 V N -1.329 118.509 119.914 -0.127 0.000 2.914 260 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 260 V C -1.010 174.987 176.094 -0.162 0.000 1.084 260 V CA -1.000 61.220 62.300 -0.134 0.000 0.963 260 V CB 1.806 33.538 31.823 -0.152 0.000 1.025 260 V HN 0.722 nan 8.190 nan 0.000 0.432 261 Q N 2.558 122.285 119.800 -0.122 0.000 2.256 261 Q HA 0.723 5.063 4.340 -0.000 0.000 0.257 261 Q C -1.212 174.825 176.000 0.063 0.000 0.936 261 Q CA -0.483 55.334 55.803 0.022 0.000 0.903 261 Q CB 2.633 31.498 28.738 0.211 0.000 1.263 261 Q HN 0.774 nan 8.270 nan 0.000 0.440 262 I N 2.716 123.327 120.570 0.069 0.000 2.418 262 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 262 I C -0.741 175.424 176.117 0.081 0.000 1.008 262 I CA -0.449 60.847 61.300 -0.007 0.000 1.104 262 I CB 1.635 39.404 38.000 -0.385 0.000 1.264 262 I HN 0.473 nan 8.210 nan 0.000 0.438 263 M N 8.938 128.563 119.600 0.041 0.000 2.125 263 M HA 0.532 5.012 4.480 -0.000 0.000 0.321 263 M C -2.655 173.706 176.300 0.101 0.000 0.983 263 M CA -1.678 53.509 55.300 -0.188 0.000 0.934 263 M CB 1.976 34.042 32.600 -0.889 0.000 1.542 263 M HN 0.122 nan 8.290 nan 0.000 0.424 264 P HA -0.020 nan 4.420 nan 0.000 0.265 264 P C 0.025 177.286 177.300 -0.065 0.000 1.187 264 P CA 0.327 63.451 63.100 0.040 0.000 0.766 264 P CB 0.460 32.209 31.700 0.083 0.000 0.820 265 E N 2.654 122.695 120.200 -0.265 0.000 2.097 265 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 265 E C 1.791 178.427 176.600 0.060 0.000 1.000 265 E CA 1.623 57.895 56.400 -0.213 0.000 0.804 265 E CB -0.306 29.181 29.700 -0.355 0.000 0.740 265 E HN 0.511 nan 8.360 nan 0.000 0.454 266 A N 1.141 123.957 122.820 -0.008 0.000 1.978 266 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 266 A C 1.652 179.254 177.584 0.030 0.000 1.170 266 A CA 1.917 53.966 52.037 0.020 0.000 0.636 266 A CB -0.445 18.550 19.000 -0.008 0.000 0.810 266 A HN 0.241 nan 8.150 nan 0.000 0.448 267 D N -0.019 120.398 120.400 0.027 0.000 2.263 267 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 267 D C 2.048 178.295 176.300 -0.088 0.000 0.971 267 D CA 1.162 55.155 54.000 -0.011 0.000 0.867 267 D CB -0.288 40.527 40.800 0.026 0.000 0.929 267 D HN 0.457 nan 8.370 nan 0.000 0.492 268 A N 0.593 123.391 122.820 -0.037 0.000 2.019 268 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 268 A C 2.181 179.694 177.584 -0.118 0.000 1.164 268 A CA 1.672 53.617 52.037 -0.154 0.000 0.644 268 A CB -0.400 18.578 19.000 -0.037 0.000 0.805 268 A HN 0.228 nan 8.150 nan 0.000 0.449 269 A N -0.820 121.978 122.820 -0.035 0.000 2.169 269 A HA 0.150 4.470 4.320 -0.000 0.000 0.212 269 A C 2.013 179.548 177.584 -0.082 0.000 1.153 269 A CA 1.804 53.818 52.037 -0.040 0.000 0.756 269 A CB -0.497 18.501 19.000 -0.002 0.000 0.813 269 A HN 0.692 nan 8.150 nan 0.000 0.471 270 T N -2.992 111.494 114.554 -0.113 0.000 2.959 270 T HA 0.298 4.648 4.350 -0.000 0.000 0.254 270 T C 0.501 175.086 174.700 -0.192 0.000 1.003 270 T CA 0.422 62.450 62.100 -0.121 0.000 0.950 270 T CB -1.001 67.820 68.868 -0.079 0.000 1.090 270 T HN 0.525 nan 8.240 nan 0.000 0.503 271 V N 1.448 121.179 119.914 -0.303 0.000 2.740 271 V HA 0.343 4.463 4.120 -0.000 0.000 0.303 271 V C -0.973 174.784 176.094 -0.563 0.000 1.054 271 V CA -1.414 60.563 62.300 -0.538 0.000 1.106 271 V CB 0.379 31.656 31.823 -0.909 0.000 0.957 271 V HN 0.082 nan 8.190 nan 0.000 0.486 272 P HA 0.072 nan 4.420 nan 0.000 0.237 272 P C -0.235 176.958 177.300 -0.178 0.000 1.178 272 P CA 0.822 63.767 63.100 -0.259 0.000 0.766 272 P CB -0.271 31.376 31.700 -0.088 0.000 0.876 273 Y N -1.892 118.376 120.300 -0.053 0.000 2.509 273 Y HA 0.605 5.155 4.550 -0.000 0.000 0.341 273 Y C 0.277 176.128 175.900 -0.081 0.000 1.038 273 Y CA -2.570 55.503 58.100 -0.045 0.000 1.089 273 Y CB -0.137 38.320 38.460 -0.006 0.000 1.241 273 Y HN -0.347 nan 8.280 nan 0.000 0.468 274 N N 4.212 122.964 118.700 0.086 0.000 2.429 274 N HA 0.083 4.823 4.740 -0.000 0.000 0.271 274 N C -1.806 173.727 175.510 0.038 0.000 1.272 274 N CA -2.072 50.988 53.050 0.017 0.000 0.921 274 N CB 0.673 39.194 38.487 0.056 0.000 1.128 274 N HN 0.520 nan 8.380 nan 0.000 0.481 275 P HA 0.002 nan 4.420 nan 0.000 0.237 275 P C -0.119 176.995 177.300 -0.310 0.000 1.178 275 P CA 0.786 63.747 63.100 -0.232 0.000 0.766 275 P CB -0.025 31.197 31.700 -0.795 0.000 0.876 276 F N -0.724 119.245 119.950 0.031 0.000 2.654 276 F HA 0.268 4.795 4.527 -0.000 0.000 0.303 276 F C 0.701 176.493 175.800 -0.013 0.000 1.099 276 F CA -1.020 56.948 58.000 -0.053 0.000 1.270 276 F CB -0.237 38.660 39.000 -0.171 0.000 1.024 276 F HN -0.187 nan 8.300 nan 0.000 0.548 277 D N 1.513 121.994 120.400 0.134 0.000 2.365 277 D HA 0.061 4.700 4.640 -0.000 0.000 0.237 277 D C 1.182 177.514 176.300 0.054 0.000 1.190 277 D CA 0.004 54.059 54.000 0.091 0.000 0.867 277 D CB 1.081 41.931 40.800 0.083 0.000 1.050 277 D HN 0.117 nan 8.370 nan 0.000 0.491 278 L N 4.043 125.294 121.223 0.046 0.000 2.450 278 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 278 L C 2.030 178.884 176.870 -0.027 0.000 1.149 278 L CA 1.701 56.539 54.840 -0.003 0.000 0.816 278 L CB -0.578 41.502 42.059 0.034 0.000 0.932 278 L HN 0.579 nan 8.230 nan 0.000 0.449 279 T N -4.501 110.058 114.554 0.009 0.000 3.107 279 T HA 0.120 4.470 4.350 -0.000 0.000 0.249 279 T C 0.731 175.485 174.700 0.091 0.000 1.096 279 T CA -0.100 62.007 62.100 0.013 0.000 1.012 279 T CB -0.128 68.768 68.868 0.046 0.000 0.977 279 T HN 0.178 nan 8.240 nan 0.000 0.527 280 K N 1.332 121.762 120.400 0.051 0.000 2.318 280 K HA 0.631 4.951 4.320 -0.000 0.000 0.249 280 K C -0.482 176.120 176.600 0.003 0.000 0.942 280 K CA -1.025 55.315 56.287 0.088 0.000 0.808 280 K CB 2.885 35.434 32.500 0.081 0.000 1.189 280 K HN 0.134 nan 8.250 nan 0.000 0.428 281 V N -1.657 118.271 119.914 0.023 0.000 3.109 281 V HA 0.536 4.656 4.120 -0.000 0.000 0.317 281 V C -0.909 175.201 176.094 0.027 0.000 1.074 281 V CA -0.888 61.397 62.300 -0.025 0.000 1.033 281 V CB 0.834 32.660 31.823 0.007 0.000 1.111 281 V HN 0.600 nan 8.190 nan 0.000 0.458 282 W N 1.119 122.341 121.300 -0.131 0.000 2.332 282 W HA 0.542 5.202 4.660 -0.000 0.000 0.306 282 W C -2.384 174.128 176.519 -0.011 0.000 1.149 282 W CA -2.852 54.388 57.345 -0.176 0.000 1.271 282 W CB -0.369 29.098 29.460 0.012 0.000 1.243 282 W HN 0.436 nan 8.180 nan 0.000 0.459 283 P HA -0.137 nan 4.420 nan 0.000 0.259 283 P C 0.798 178.286 177.300 0.313 0.000 1.163 283 P CA 0.832 64.016 63.100 0.140 0.000 0.760 283 P CB 0.548 32.285 31.700 0.061 0.000 0.762 284 H N 2.568 121.690 119.070 0.087 0.000 2.456 284 H HA -0.091 4.465 4.556 -0.000 0.000 0.296 284 H C 1.516 176.862 175.328 0.030 0.000 1.079 284 H CA 1.404 57.491 56.048 0.065 0.000 1.322 284 H CB -0.150 29.625 29.762 0.022 0.000 1.388 284 H HN 0.451 nan 8.280 nan 0.000 0.538 285 K N 0.031 120.515 120.400 0.140 0.000 2.097 285 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 285 K C 1.333 177.914 176.600 -0.031 0.000 1.049 285 K CA 1.450 57.763 56.287 0.044 0.000 0.933 285 K CB 0.178 32.695 32.500 0.029 0.000 0.717 285 K HN 0.291 nan 8.250 nan 0.000 0.442 286 D N -0.594 119.784 120.400 -0.037 0.000 2.120 286 D HA -0.068 4.572 4.640 -0.000 0.000 0.202 286 D C -0.009 175.900 176.300 -0.652 0.000 0.972 286 D CA 1.241 55.069 54.000 -0.286 0.000 0.837 286 D CB 0.144 40.880 40.800 -0.105 0.000 0.989 286 D HN 0.138 nan 8.370 nan 0.000 0.469 287 Y N -0.008 120.335 120.300 0.072 0.000 2.681 287 Y HA 0.349 4.899 4.550 -0.000 0.000 0.347 287 Y C -2.344 173.553 175.900 -0.005 0.000 1.029 287 Y CA -2.550 55.582 58.100 0.054 0.000 1.279 287 Y CB 1.537 40.080 38.460 0.139 0.000 1.096 287 Y HN -0.197 nan 8.280 nan 0.000 0.580 288 P HA -0.039 nan 4.420 nan 0.000 0.267 288 P C -0.424 176.789 177.300 -0.145 0.000 1.200 288 P CA -0.161 62.896 63.100 -0.072 0.000 0.772 288 P CB 0.767 32.435 31.700 -0.054 0.000 0.855 289 L N 3.492 124.551 121.223 -0.273 0.000 2.455 289 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 289 L C 0.375 177.124 176.870 -0.203 0.000 1.174 289 L CA 0.565 55.216 54.840 -0.315 0.000 0.869 289 L CB -0.658 41.159 42.059 -0.403 0.000 1.130 289 L HN 0.276 nan 8.230 nan 0.000 0.474 290 I N 2.902 123.358 120.570 -0.190 0.000 2.362 290 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 290 I C 0.359 176.360 176.117 -0.195 0.000 0.994 290 I CA -0.609 60.594 61.300 -0.163 0.000 1.158 290 I CB 1.533 39.449 38.000 -0.140 0.000 1.315 290 I HN 0.570 nan 8.210 nan 0.000 0.451 291 E N 4.100 124.129 120.200 -0.286 0.000 2.373 291 E HA 0.194 4.543 4.350 -0.000 0.000 0.267 291 E C -0.052 176.355 176.600 -0.320 0.000 1.032 291 E CA -0.055 56.108 56.400 -0.395 0.000 0.889 291 E CB 1.191 30.456 29.700 -0.724 0.000 0.984 291 E HN 0.480 nan 8.360 nan 0.000 0.425 292 V N 2.254 122.109 119.914 -0.098 0.000 3.058 292 V HA 0.425 4.545 4.120 -0.000 0.000 0.233 292 V C 0.672 176.918 176.094 0.253 0.000 1.255 292 V CA 0.460 62.805 62.300 0.076 0.000 1.267 292 V CB 0.748 32.595 31.823 0.040 0.000 1.049 292 V HN 0.811 nan 8.190 nan 0.000 0.486 293 G N 0.473 109.435 108.800 0.269 0.000 2.341 293 G HA2 0.545 4.504 3.960 -0.000 0.000 0.299 293 G HA3 0.545 4.504 3.960 -0.000 0.000 0.299 293 G C -1.977 173.043 174.900 0.200 0.000 1.274 293 G CA -0.017 45.168 45.100 0.142 0.000 0.853 293 G HN 0.407 nan 8.290 nan 0.000 0.493 294 E N -1.524 118.690 120.200 0.023 0.000 2.408 294 E HA 0.747 5.097 4.350 -0.000 0.000 0.275 294 E C -1.427 175.399 176.600 0.376 0.000 0.935 294 E CA -1.135 55.412 56.400 0.245 0.000 0.775 294 E CB 2.643 32.425 29.700 0.136 0.000 1.277 294 E HN 1.035 nan 8.360 nan 0.000 0.455 295 F N -0.625 119.623 119.950 0.496 0.000 2.576 295 F HA 0.674 5.201 4.527 -0.000 0.000 0.313 295 F C -1.050 174.992 175.800 0.405 0.000 1.078 295 F CA -0.905 57.385 58.000 0.483 0.000 0.921 295 F CB 1.863 41.247 39.000 0.640 0.000 1.232 295 F HN 0.637 nan 8.300 nan 0.000 0.459 296 E N 4.017 124.508 120.200 0.485 0.000 2.266 296 E HA 0.611 4.960 4.350 -0.000 0.000 0.268 296 E C -1.974 174.859 176.600 0.387 0.000 0.879 296 E CA -1.015 55.593 56.400 0.347 0.000 0.762 296 E CB 2.463 32.297 29.700 0.223 0.000 1.199 296 E HN 0.845 nan 8.360 nan 0.000 0.422 297 L N 3.494 124.938 121.223 0.368 0.000 2.272 297 L HA 0.369 4.708 4.340 -0.000 0.000 0.289 297 L C -0.222 176.647 176.870 -0.002 0.000 1.032 297 L CA -0.668 54.315 54.840 0.239 0.000 0.810 297 L CB 0.538 42.802 42.059 0.341 0.000 1.205 297 L HN 0.734 nan 8.230 nan 0.000 0.422 298 N N 1.776 120.332 118.700 -0.241 0.000 2.167 298 N HA 0.152 4.892 4.740 -0.000 0.000 0.234 298 N C -0.143 175.114 175.510 -0.422 0.000 1.312 298 N CA -0.565 51.922 53.050 -0.937 0.000 0.861 298 N CB 0.688 38.435 38.487 -1.234 0.000 1.217 298 N HN 0.449 nan 8.380 nan 0.000 0.504 299 R N 0.192 120.663 120.500 -0.048 0.000 2.522 299 R HA 0.341 4.681 4.340 -0.000 0.000 0.283 299 R C -1.554 174.888 176.300 0.236 0.000 1.074 299 R CA -0.479 55.682 56.100 0.102 0.000 0.925 299 R CB 1.055 31.419 30.300 0.107 0.000 1.205 299 R HN 0.171 nan 8.270 nan 0.000 0.436 300 N N 4.022 122.855 118.700 0.222 0.000 2.529 300 N HA 0.264 5.003 4.740 -0.000 0.000 0.278 300 N C -2.419 173.273 175.510 0.304 0.000 1.146 300 N CA -1.323 51.875 53.050 0.247 0.000 0.980 300 N CB 0.959 39.570 38.487 0.207 0.000 1.124 300 N HN 0.270 nan 8.380 nan 0.000 0.458 301 P HA 0.030 nan 4.420 nan 0.000 0.269 301 P C -0.182 177.252 177.300 0.225 0.000 1.209 301 P CA -0.020 63.292 63.100 0.354 0.000 0.776 301 P CB 0.740 32.610 31.700 0.283 0.000 0.876 302 Q N 0.493 120.393 119.800 0.167 0.000 2.137 302 Q HA -0.009 4.331 4.340 -0.000 0.000 0.198 302 Q C 0.615 176.699 176.000 0.139 0.000 0.960 302 Q CA 1.054 56.931 55.803 0.124 0.000 0.847 302 Q CB 0.070 28.853 28.738 0.075 0.000 0.915 302 Q HN 0.425 nan 8.270 nan 0.000 0.448 303 N N -0.872 117.915 118.700 0.146 0.000 2.461 303 N HA 0.008 4.748 4.740 -0.000 0.000 0.284 303 N C -0.661 174.971 175.510 0.203 0.000 1.049 303 N CA -0.128 53.027 53.050 0.175 0.000 0.889 303 N CB 0.910 39.487 38.487 0.150 0.000 1.365 303 N HN 0.062 nan 8.380 nan 0.000 0.499 304 Y N 4.909 125.292 120.300 0.138 0.000 2.145 304 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 304 Y C 1.765 177.739 175.900 0.124 0.000 1.145 304 Y CA 1.741 59.920 58.100 0.132 0.000 1.148 304 Y CB -0.247 38.296 38.460 0.139 0.000 0.981 304 Y HN 0.654 nan 8.280 nan 0.000 0.507 305 F N 0.600 120.699 119.950 0.248 0.000 2.069 305 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 305 F C 2.339 178.128 175.800 -0.019 0.000 1.113 305 F CA 2.133 60.205 58.000 0.120 0.000 1.214 305 F CB -0.913 38.160 39.000 0.122 0.000 0.978 305 F HN 0.070 nan 8.300 nan 0.000 0.474 306 A N -0.482 122.369 122.820 0.051 0.000 1.969 306 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 306 A C 2.028 179.472 177.584 -0.233 0.000 1.169 306 A CA 1.912 53.899 52.037 -0.084 0.000 0.635 306 A CB -0.610 18.439 19.000 0.081 0.000 0.810 306 A HN 0.622 nan 8.150 nan 0.000 0.445 307 E N -1.310 118.757 120.200 -0.223 0.000 2.244 307 E HA 0.078 4.428 4.350 -0.000 0.000 0.196 307 E C 1.715 178.024 176.600 -0.486 0.000 0.939 307 E CA 0.719 56.925 56.400 -0.323 0.000 0.884 307 E CB 0.224 29.832 29.700 -0.154 0.000 0.850 307 E HN 0.361 nan 8.360 nan 0.000 0.481 308 V N 0.814 120.453 119.914 -0.458 0.000 2.521 308 V HA -0.076 4.044 4.120 -0.000 0.000 0.239 308 V C 2.156 177.976 176.094 -0.456 0.000 1.053 308 V CA 1.164 63.192 62.300 -0.453 0.000 1.073 308 V CB -0.125 31.201 31.823 -0.830 0.000 0.746 308 V HN 0.055 nan 8.190 nan 0.000 0.476 309 E N 1.005 120.864 120.200 -0.569 0.000 2.058 309 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 309 E C 2.153 178.531 176.600 -0.370 0.000 0.997 309 E CA 1.727 57.931 56.400 -0.327 0.000 0.801 309 E CB -0.262 29.316 29.700 -0.204 0.000 0.746 309 E HN 0.607 nan 8.360 nan 0.000 0.450 310 Q N -0.383 119.098 119.800 -0.532 0.000 2.482 310 Q HA 0.197 4.537 4.340 -0.000 0.000 0.209 310 Q C -0.069 175.726 176.000 -0.341 0.000 0.961 310 Q CA 0.240 55.769 55.803 -0.457 0.000 0.945 310 Q CB 0.255 28.676 28.738 -0.527 0.000 1.012 310 Q HN 0.231 nan 8.270 nan 0.000 0.515 311 A N 0.975 123.590 122.820 -0.342 0.000 2.477 311 A HA 0.463 4.782 4.320 -0.000 0.000 0.246 311 A C -0.204 177.192 177.584 -0.314 0.000 1.078 311 A CA 0.200 52.005 52.037 -0.387 0.000 0.770 311 A CB 0.287 19.084 19.000 -0.338 0.000 1.011 311 A HN 0.259 nan 8.150 nan 0.000 0.494 312 A N 2.158 124.735 122.820 -0.405 0.000 2.335 312 A HA 0.706 5.026 4.320 -0.000 0.000 0.304 312 A C -1.013 176.356 177.584 -0.359 0.000 1.118 312 A CA -0.413 51.475 52.037 -0.248 0.000 0.757 312 A CB 0.478 19.394 19.000 -0.140 0.000 1.188 312 A HN 0.662 nan 8.150 nan 0.000 0.460 313 F N 1.788 121.702 119.950 -0.060 0.000 2.426 313 F HA 0.420 4.947 4.527 -0.000 0.000 0.348 313 F C 0.542 176.294 175.800 -0.080 0.000 1.124 313 F CA -0.324 57.610 58.000 -0.111 0.000 1.008 313 F CB 1.898 40.783 39.000 -0.192 0.000 1.139 313 F HN 0.686 nan 8.300 nan 0.000 0.452 314 N N 5.011 123.735 118.700 0.041 0.000 2.479 314 N HA 0.316 5.056 4.740 -0.000 0.000 0.261 314 N C -2.245 173.207 175.510 -0.097 0.000 0.979 314 N CA -2.011 51.018 53.050 -0.034 0.000 0.930 314 N CB 1.977 40.493 38.487 0.048 0.000 1.172 314 N HN 0.158 nan 8.380 nan 0.000 0.499 315 P HA -0.131 nan 4.420 nan 0.000 0.218 315 P C 0.771 178.160 177.300 0.148 0.000 1.146 315 P CA 0.910 63.949 63.100 -0.103 0.000 0.813 315 P CB 0.218 31.752 31.700 -0.278 0.000 0.778 316 A N -0.982 121.878 122.820 0.065 0.000 2.121 316 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 316 A C 1.074 178.854 177.584 0.327 0.000 1.154 316 A CA 0.662 52.815 52.037 0.194 0.000 0.679 316 A CB -1.363 17.661 19.000 0.039 0.000 0.795 316 A HN 0.274 nan 8.150 nan 0.000 0.458 317 N N 0.149 118.979 118.700 0.216 0.000 2.671 317 N HA 0.328 5.068 4.740 -0.000 0.000 0.274 317 N C -0.678 174.994 175.510 0.271 0.000 1.188 317 N CA -0.291 52.874 53.050 0.191 0.000 1.065 317 N CB 0.703 39.257 38.487 0.111 0.000 1.415 317 N HN 0.180 nan 8.380 nan 0.000 0.511 318 V N 1.792 121.848 119.914 0.236 0.000 3.234 318 V HA 0.581 4.701 4.120 -0.000 0.000 0.317 318 V C -0.267 175.824 176.094 -0.005 0.000 1.147 318 V CA -0.626 61.759 62.300 0.141 0.000 1.037 318 V CB 2.136 33.977 31.823 0.029 0.000 1.148 318 V HN 0.199 nan 8.190 nan 0.000 0.455 319 V N 0.298 120.111 119.914 -0.169 0.000 3.001 319 V HA 0.726 4.846 4.120 -0.000 0.000 0.314 319 V C -2.847 173.154 176.094 -0.155 0.000 1.099 319 V CA -2.806 59.397 62.300 -0.161 0.000 0.989 319 V CB 1.399 33.105 31.823 -0.196 0.000 1.040 319 V HN 0.724 nan 8.190 nan 0.000 0.434 320 P HA 0.315 nan 4.420 nan 0.000 0.262 320 P C 0.972 178.250 177.300 -0.038 0.000 1.182 320 P CA 2.030 65.135 63.100 0.010 0.000 0.761 320 P CB 0.596 32.411 31.700 0.192 0.000 0.795 321 G N 2.201 110.992 108.800 -0.016 0.000 2.213 321 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.236 321 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.236 321 G C -0.017 174.903 174.900 0.034 0.000 0.991 321 G CA -0.269 44.820 45.100 -0.019 0.000 0.629 321 G HN 0.495 nan 8.290 nan 0.000 0.517 322 I N 0.749 121.299 120.570 -0.032 0.000 2.533 322 I HA 0.723 4.893 4.170 -0.000 0.000 0.290 322 I C 0.133 176.206 176.117 -0.073 0.000 1.056 322 I CA -0.629 60.695 61.300 0.040 0.000 1.057 322 I CB 2.149 40.005 38.000 -0.241 0.000 1.240 322 I HN 0.147 nan 8.210 nan 0.000 0.423 323 S N 3.659 119.356 115.700 -0.004 0.000 2.973 323 S HA 0.704 5.174 4.470 -0.000 0.000 0.317 323 S C -0.959 173.624 174.600 -0.028 0.000 1.196 323 S CA -0.406 57.617 58.200 -0.296 0.000 0.894 323 S CB 0.880 63.938 63.200 -0.235 0.000 1.292 323 S HN 0.290 nan 8.310 nan 0.000 0.614 324 F N 1.809 121.949 119.950 0.318 0.000 2.355 324 F HA 0.773 5.300 4.527 -0.000 0.000 0.340 324 F C 0.988 176.951 175.800 0.273 0.000 1.067 324 F CA -0.328 57.832 58.000 0.267 0.000 1.116 324 F CB 0.371 39.447 39.000 0.127 0.000 1.582 324 F HN 0.628 nan 8.300 nan 0.000 0.512 325 S N -1.422 114.442 115.700 0.273 0.000 2.638 325 S HA 0.530 5.000 4.470 -0.000 0.000 0.274 325 S C -2.766 171.693 174.600 -0.236 0.000 1.157 325 S CA -1.301 56.917 58.200 0.030 0.000 0.826 325 S CB 1.717 64.882 63.200 -0.058 0.000 1.139 325 S HN 0.189 nan 8.310 nan 0.000 0.474 326 P HA 0.147 nan 4.420 nan 0.000 0.252 326 P C -0.383 176.663 177.300 -0.424 0.000 1.265 326 P CA 0.196 62.966 63.100 -0.550 0.000 0.775 326 P CB -0.457 30.782 31.700 -0.770 0.000 1.128 327 D N 0.926 121.143 120.400 -0.305 0.000 2.451 327 D HA -0.074 4.566 4.640 -0.000 0.000 0.254 327 D C 1.050 177.291 176.300 -0.099 0.000 1.204 327 D CA 0.476 54.432 54.000 -0.074 0.000 0.896 327 D CB 0.719 41.523 40.800 0.008 0.000 1.136 327 D HN 0.047 nan 8.370 nan 0.000 0.499 328 K N 3.579 123.957 120.400 -0.037 0.000 2.097 328 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 328 K C 1.968 178.559 176.600 -0.016 0.000 1.049 328 K CA 0.874 57.148 56.287 -0.022 0.000 0.933 328 K CB -0.008 32.513 32.500 0.034 0.000 0.717 328 K HN 0.526 nan 8.250 nan 0.000 0.442 329 M N 0.520 120.136 119.600 0.027 0.000 2.117 329 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 329 M C 2.319 178.562 176.300 -0.095 0.000 1.065 329 M CA 1.165 56.502 55.300 0.063 0.000 1.114 329 M CB -0.779 31.944 32.600 0.205 0.000 1.361 329 M HN 0.163 nan 8.290 nan 0.000 0.408 330 L N 0.886 121.891 121.223 -0.363 0.000 2.056 330 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 330 L C 2.453 179.093 176.870 -0.384 0.000 1.078 330 L CA 1.779 56.180 54.840 -0.731 0.000 0.749 330 L CB -0.808 40.654 42.059 -0.995 0.000 0.901 330 L HN 0.258 nan 8.230 nan 0.000 0.433 331 Q N 0.021 119.665 119.800 -0.259 0.000 2.077 331 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 331 Q C 2.150 178.074 176.000 -0.128 0.000 0.989 331 Q CA 1.860 57.546 55.803 -0.194 0.000 0.853 331 Q CB -1.081 27.580 28.738 -0.128 0.000 0.907 331 Q HN 0.673 nan 8.270 nan 0.000 0.418 332 G N 0.857 109.614 108.800 -0.072 0.000 2.422 332 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 332 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 332 G C 1.525 176.445 174.900 0.033 0.000 1.146 332 G CA 0.532 45.637 45.100 0.009 0.000 0.769 332 G HN 0.286 nan 8.290 nan 0.000 0.547 333 R N -0.170 120.306 120.500 -0.040 0.000 2.148 333 R HA 0.125 4.465 4.340 -0.000 0.000 0.227 333 R C 2.449 178.750 176.300 0.002 0.000 1.103 333 R CA 0.441 56.560 56.100 0.033 0.000 0.983 333 R CB -0.368 29.895 30.300 -0.063 0.000 0.874 333 R HN 0.342 nan 8.270 nan 0.000 0.451 334 L N -0.267 120.885 121.223 -0.119 0.000 2.187 334 L HA -0.184 4.155 4.340 -0.000 0.000 0.213 334 L C 2.125 179.000 176.870 0.008 0.000 1.100 334 L CA 1.125 55.867 54.840 -0.164 0.000 0.765 334 L CB -0.340 41.508 42.059 -0.352 0.000 0.904 334 L HN 0.186 nan 8.230 nan 0.000 0.437 335 F N 0.402 120.315 119.950 -0.062 0.000 2.274 335 F HA 0.153 4.680 4.527 -0.000 0.000 0.288 335 F C 2.428 178.237 175.800 0.015 0.000 1.069 335 F CA 0.752 58.737 58.000 -0.025 0.000 1.343 335 F CB -0.308 38.672 39.000 -0.033 0.000 1.089 335 F HN -0.099 nan 8.300 nan 0.000 0.517 336 A N -0.136 122.550 122.820 -0.223 0.000 1.933 336 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 336 A C 1.991 179.365 177.584 -0.350 0.000 1.175 336 A CA 1.826 53.615 52.037 -0.414 0.000 0.628 336 A CB -1.504 17.375 19.000 -0.200 0.000 0.814 336 A HN 0.558 nan 8.150 nan 0.000 0.444 337 Y N -0.089 120.054 120.300 -0.262 0.000 2.133 337 Y HA -0.000 4.550 4.550 -0.000 0.000 0.287 337 Y C 2.842 178.638 175.900 -0.173 0.000 1.134 337 Y CA 0.898 58.889 58.100 -0.182 0.000 1.133 337 Y CB -1.097 37.293 38.460 -0.117 0.000 0.987 337 Y HN 0.300 nan 8.280 nan 0.000 0.502 338 G N -0.598 108.202 108.800 -0.000 0.000 2.442 338 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 338 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 338 G C 1.277 176.114 174.900 -0.104 0.000 1.141 338 G CA 1.380 46.469 45.100 -0.019 0.000 0.763 338 G HN 0.416 nan 8.290 nan 0.000 0.554 339 D N 0.777 121.011 120.400 -0.277 0.000 2.078 339 D HA -0.004 4.636 4.640 -0.000 0.000 0.193 339 D C 2.755 178.937 176.300 -0.198 0.000 0.990 339 D CA 1.695 55.493 54.000 -0.336 0.000 0.827 339 D CB -0.440 39.879 40.800 -0.802 0.000 0.975 339 D HN 0.212 nan 8.370 nan 0.000 0.451 340 A N -0.196 122.489 122.820 -0.225 0.000 1.940 340 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 340 A C 2.200 179.738 177.584 -0.077 0.000 1.176 340 A CA 1.959 53.919 52.037 -0.129 0.000 0.631 340 A CB -0.775 18.108 19.000 -0.195 0.000 0.814 340 A HN 0.399 nan 8.150 nan 0.000 0.446 341 Q N -0.988 118.722 119.800 -0.150 0.000 2.123 341 Q HA -0.069 4.271 4.340 -0.000 0.000 0.199 341 Q C 2.340 178.129 176.000 -0.352 0.000 0.966 341 Q CA 1.211 56.833 55.803 -0.303 0.000 0.845 341 Q CB -0.099 28.416 28.738 -0.372 0.000 0.907 341 Q HN 0.630 nan 8.270 nan 0.000 0.439 342 R N -0.593 119.835 120.500 -0.120 0.000 2.081 342 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 342 R C 2.064 178.367 176.300 0.006 0.000 1.131 342 R CA 1.499 57.599 56.100 0.001 0.000 0.960 342 R CB -0.337 29.992 30.300 0.048 0.000 0.856 342 R HN 0.306 nan 8.270 nan 0.000 0.436 343 Y N 1.489 121.732 120.300 -0.096 0.000 2.133 343 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 343 Y C 2.536 178.386 175.900 -0.082 0.000 1.134 343 Y CA 1.621 59.676 58.100 -0.074 0.000 1.133 343 Y CB -0.187 38.230 38.460 -0.071 0.000 0.987 343 Y HN -0.157 nan 8.280 nan 0.000 0.502 344 R N -0.193 120.215 120.500 -0.154 0.000 2.120 344 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 344 R C 1.329 177.483 176.300 -0.244 0.000 1.123 344 R CA 2.045 58.005 56.100 -0.233 0.000 0.975 344 R CB -0.181 30.059 30.300 -0.100 0.000 0.866 344 R HN 0.521 nan 8.270 nan 0.000 0.446 345 L N -1.317 119.763 121.223 -0.239 0.000 2.878 345 L HA 0.398 4.738 4.340 -0.000 0.000 0.253 345 L C 0.272 177.091 176.870 -0.086 0.000 1.135 345 L CA 0.062 54.786 54.840 -0.193 0.000 0.943 345 L CB 1.442 43.318 42.059 -0.306 0.000 1.307 345 L HN 0.404 nan 8.230 nan 0.000 0.545 346 G N -0.093 108.667 108.800 -0.067 0.000 2.650 346 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 346 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 346 G C 0.098 175.070 174.900 0.121 0.000 1.205 346 G CA -0.350 44.757 45.100 0.011 0.000 0.781 346 G HN -0.265 nan 8.290 nan 0.000 0.648 347 V N 0.856 120.806 119.914 0.061 0.000 2.469 347 V HA -0.112 4.008 4.120 -0.000 0.000 0.251 347 V C 1.901 177.958 176.094 -0.060 0.000 1.064 347 V CA 2.542 64.861 62.300 0.032 0.000 1.066 347 V CB -0.252 31.561 31.823 -0.017 0.000 0.667 347 V HN 0.678 nan 8.190 nan 0.000 0.461 348 N N -0.299 118.363 118.700 -0.063 0.000 2.295 348 N HA 0.042 4.782 4.740 -0.000 0.000 0.221 348 N C 1.229 176.599 175.510 -0.234 0.000 1.129 348 N CA 0.702 53.639 53.050 -0.187 0.000 0.836 348 N CB -0.191 38.285 38.487 -0.019 0.000 1.040 348 N HN 0.903 nan 8.380 nan 0.000 0.494 349 H N -0.672 118.310 119.070 -0.147 0.000 2.518 349 H HA -0.012 4.544 4.556 -0.000 0.000 0.292 349 H C 1.293 176.528 175.328 -0.156 0.000 1.068 349 H CA 1.126 57.094 56.048 -0.132 0.000 1.275 349 H CB -0.094 29.591 29.762 -0.128 0.000 1.375 349 H HN 0.159 nan 8.280 nan 0.000 0.563 350 Q N -0.036 119.399 119.800 -0.609 0.000 2.515 350 Q HA -0.057 4.283 4.340 -0.000 0.000 0.212 350 Q C 0.855 176.725 176.000 -0.218 0.000 0.970 350 Q CA 0.323 55.889 55.803 -0.395 0.000 0.941 350 Q CB 0.168 28.659 28.738 -0.412 0.000 0.998 350 Q HN 0.739 nan 8.270 nan 0.000 0.518 351 H N -0.572 118.432 119.070 -0.111 0.000 2.548 351 H HA 0.126 4.682 4.556 -0.000 0.000 0.265 351 H C 0.281 175.566 175.328 -0.073 0.000 0.969 351 H CA 0.077 56.076 56.048 -0.081 0.000 1.155 351 H CB 0.099 29.814 29.762 -0.078 0.000 1.394 351 H HN 0.181 nan 8.280 nan 0.000 0.570 352 I N 2.941 123.523 120.570 0.020 0.000 2.598 352 I HA -0.033 4.137 4.170 -0.000 0.000 0.284 352 I C -1.099 174.982 176.117 -0.060 0.000 1.140 352 I CA -1.342 59.941 61.300 -0.028 0.000 1.420 352 I CB 0.888 38.849 38.000 -0.065 0.000 1.387 352 I HN -0.088 nan 8.210 nan 0.000 0.553 353 P HA -0.251 nan 4.420 nan 0.000 0.217 353 P C 1.777 179.007 177.300 -0.117 0.000 1.162 353 P CA 1.139 64.183 63.100 -0.092 0.000 0.901 353 P CB 0.157 31.798 31.700 -0.097 0.000 0.793 354 V N -0.345 119.475 119.914 -0.156 0.000 2.568 354 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 354 V C 1.530 177.544 176.094 -0.134 0.000 1.072 354 V CA 2.063 64.240 62.300 -0.206 0.000 1.084 354 V CB -0.991 30.534 31.823 -0.497 0.000 0.676 354 V HN 0.127 nan 8.190 nan 0.000 0.469 355 N N 0.281 118.902 118.700 -0.132 0.000 2.353 355 N HA 0.202 4.942 4.740 -0.000 0.000 0.185 355 N C 0.545 176.047 175.510 -0.013 0.000 1.098 355 N CA 0.750 53.740 53.050 -0.100 0.000 0.872 355 N CB 0.077 38.501 38.487 -0.106 0.000 0.970 355 N HN 0.531 nan 8.380 nan 0.000 0.467 356 A N 2.549 125.372 122.820 0.005 0.000 2.388 356 A HA 0.395 4.715 4.320 -0.000 0.000 0.257 356 A C -2.090 175.538 177.584 0.074 0.000 1.095 356 A CA -0.987 51.063 52.037 0.022 0.000 0.791 356 A CB 0.104 19.102 19.000 -0.003 0.000 1.029 356 A HN -0.024 nan 8.150 nan 0.000 0.489 357 P HA 0.256 nan 4.420 nan 0.000 0.274 357 P C -0.546 176.788 177.300 0.056 0.000 1.237 357 P CA -0.218 62.953 63.100 0.119 0.000 0.793 357 P CB 0.629 32.384 31.700 0.092 0.000 0.977 358 R N 0.189 120.732 120.500 0.072 0.000 2.791 358 R HA 0.314 4.654 4.340 -0.000 0.000 0.357 358 R C -0.059 176.261 176.300 0.033 0.000 1.173 358 R CA -0.235 55.863 56.100 -0.003 0.000 1.060 358 R CB -0.361 29.891 30.300 -0.079 0.000 1.406 358 R HN 0.611 nan 8.270 nan 0.000 0.580 359 C N -2.598 116.729 119.300 0.044 0.000 3.318 359 C HA 0.651 5.111 4.460 -0.000 0.000 0.329 359 C C -2.667 172.344 174.990 0.036 0.000 1.449 359 C CA -2.662 56.378 59.018 0.037 0.000 1.397 359 C CB 1.089 28.852 27.740 0.040 0.000 1.810 359 C HN 0.096 nan 8.230 nan 0.000 0.449 360 P HA 0.293 nan 4.420 nan 0.000 0.261 360 P C -0.688 176.654 177.300 0.069 0.000 1.173 360 P CA 0.442 63.566 63.100 0.039 0.000 0.760 360 P CB 0.334 32.046 31.700 0.019 0.000 0.783 361 V N 4.190 124.174 119.914 0.117 0.000 2.760 361 V HA 0.422 4.542 4.120 -0.000 0.000 0.309 361 V C -1.258 175.028 176.094 0.319 0.000 1.077 361 V CA -0.369 62.035 62.300 0.174 0.000 0.910 361 V CB 1.836 33.750 31.823 0.151 0.000 1.008 361 V HN 0.706 nan 8.190 nan 0.000 0.424 362 H N 4.676 123.866 119.070 0.200 0.000 2.734 362 H HA 0.236 4.792 4.556 -0.000 0.000 0.247 362 H C 0.248 175.751 175.328 0.292 0.000 1.415 362 H CA 0.536 56.765 56.048 0.302 0.000 1.514 362 H CB 1.316 31.181 29.762 0.172 0.000 1.841 362 H HN 0.755 nan 8.280 nan 0.000 0.609 363 S N 2.258 118.078 115.700 0.200 0.000 2.577 363 S HA -0.044 4.426 4.470 -0.000 0.000 0.219 363 S C 1.041 175.359 174.600 -0.470 0.000 0.962 363 S CA 0.326 58.487 58.200 -0.064 0.000 0.921 363 S CB -0.231 62.988 63.200 0.032 0.000 0.789 363 S HN 0.764 nan 8.310 nan 0.000 0.497 364 Y N 1.773 121.502 120.300 -0.951 0.000 2.884 364 Y HA -0.364 4.186 4.550 -0.000 0.000 0.483 364 Y C 0.199 175.607 175.900 -0.820 0.000 1.209 364 Y CA 1.852 58.976 58.100 -1.626 0.000 2.681 364 Y CB -1.953 35.740 38.460 -1.278 0.000 0.894 364 Y HN 0.585 nan 8.280 nan 0.000 0.529 365 H N 3.644 122.605 119.070 -0.182 0.000 3.001 365 H HA 0.367 4.922 4.556 -0.000 0.000 0.334 365 H C 0.346 175.620 175.328 -0.090 0.000 1.034 365 H CA 0.793 56.758 56.048 -0.138 0.000 1.420 365 H CB 0.306 30.063 29.762 -0.008 0.000 1.405 365 H HN 0.212 nan 8.280 nan 0.000 0.593 366 R N 2.276 122.747 120.500 -0.049 0.000 2.732 366 R HA 0.200 4.540 4.340 -0.000 0.000 0.278 366 R C 0.422 176.730 176.300 0.013 0.000 0.976 366 R CA -0.726 55.367 56.100 -0.011 0.000 0.963 366 R CB 0.996 31.244 30.300 -0.087 0.000 1.150 366 R HN 0.719 nan 8.270 nan 0.000 0.478 367 D N 0.021 120.434 120.400 0.021 0.000 3.396 367 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 367 D C 0.347 176.656 176.300 0.016 0.000 1.347 367 D CA 2.004 56.012 54.000 0.014 0.000 1.106 367 D CB -1.080 39.726 40.800 0.010 0.000 0.619 367 D HN 0.862 nan 8.370 nan 0.000 0.728 368 G N -0.867 107.939 108.800 0.010 0.000 2.733 368 G HA2 0.393 4.353 3.960 -0.000 0.000 0.686 368 G HA3 0.393 4.353 3.960 -0.000 0.000 0.686 368 G C 0.119 175.024 174.900 0.009 0.000 1.373 368 G CA 0.465 45.569 45.100 0.007 0.000 0.838 368 G HN 1.532 nan 8.290 nan 0.000 0.588 369 A N 2.500 125.323 122.820 0.006 0.000 2.561 369 A HA 0.531 4.851 4.320 -0.000 0.000 0.234 369 A C 1.576 179.167 177.584 0.012 0.000 1.055 369 A CA 1.537 53.577 52.037 0.004 0.000 0.756 369 A CB -0.099 18.899 19.000 -0.002 0.000 0.986 369 A HN 2.210 nan 8.150 nan 0.000 0.505 370 M N 0.166 119.771 119.600 0.009 0.000 2.253 370 M HA -0.144 4.336 4.480 -0.000 0.000 0.195 370 M C 0.190 176.506 176.300 0.027 0.000 0.512 370 M CA 0.756 56.065 55.300 0.015 0.000 0.442 370 M CB -1.652 30.959 32.600 0.019 0.000 1.189 370 M HN 0.848 nan 8.290 nan 0.000 0.923 371 R N 1.010 121.519 120.500 0.015 0.000 2.248 371 R HA 0.409 4.749 4.340 -0.000 0.000 0.337 371 R C 0.973 177.250 176.300 -0.038 0.000 1.085 371 R CA 0.253 56.358 56.100 0.007 0.000 0.934 371 R CB 0.422 30.721 30.300 -0.003 0.000 1.034 371 R HN 0.338 nan 8.270 nan 0.000 0.465 372 V N 0.242 120.111 119.914 -0.075 0.000 3.556 372 V HA 0.231 4.351 4.120 -0.000 0.000 0.287 372 V C 0.614 176.602 176.094 -0.177 0.000 1.422 372 V CA 0.562 62.801 62.300 -0.101 0.000 1.038 372 V CB 0.619 32.403 31.823 -0.066 0.000 0.850 372 V HN 0.700 nan 8.190 nan 0.000 0.437 373 D N 0.691 120.912 120.400 -0.298 0.000 2.340 373 D HA 0.292 4.932 4.640 -0.000 0.000 0.217 373 D C 1.609 177.738 176.300 -0.285 0.000 1.081 373 D CA 0.769 54.543 54.000 -0.377 0.000 0.842 373 D CB 0.516 40.884 40.800 -0.719 0.000 0.934 373 D HN 0.851 nan 8.370 nan 0.000 0.511 374 G N 1.372 110.049 108.800 -0.205 0.000 2.234 374 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.235 374 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.235 374 G C 0.686 175.494 174.900 -0.153 0.000 0.997 374 G CA 0.156 45.166 45.100 -0.150 0.000 0.623 374 G HN 0.484 nan 8.290 nan 0.000 0.514 375 N N -1.051 117.489 118.700 -0.266 0.000 2.714 375 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 375 N C 0.764 176.230 175.510 -0.074 0.000 1.117 375 N CA 1.811 54.731 53.050 -0.217 0.000 0.719 375 N CB -1.799 36.654 38.487 -0.056 0.000 1.081 375 N HN 1.488 nan 8.380 nan 0.000 0.557 376 F N -3.463 116.523 119.950 0.061 0.000 3.006 376 F HA -0.241 4.286 4.527 -0.000 0.000 0.289 376 F C 1.788 177.628 175.800 0.067 0.000 0.772 376 F CA 1.598 59.658 58.000 0.100 0.000 1.162 376 F CB -1.738 37.387 39.000 0.208 0.000 1.382 376 F HN 0.523 nan 8.300 nan 0.000 0.406 377 G N 0.075 108.954 108.800 0.132 0.000 2.651 377 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.315 377 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.315 377 G C 0.945 175.911 174.900 0.111 0.000 1.258 377 G CA 0.750 45.904 45.100 0.091 0.000 1.002 377 G HN 0.592 nan 8.290 nan 0.000 0.551 378 S N 1.071 116.826 115.700 0.091 0.000 2.593 378 S HA 0.242 4.712 4.470 -0.000 0.000 0.217 378 S C 1.123 175.779 174.600 0.093 0.000 0.966 378 S CA 1.068 59.316 58.200 0.081 0.000 0.914 378 S CB -0.062 63.170 63.200 0.054 0.000 0.776 378 S HN 0.830 nan 8.310 nan 0.000 0.523 379 T N 4.772 119.397 114.554 0.118 0.000 2.866 379 T HA 0.097 4.447 4.350 -0.000 0.000 0.293 379 T C 0.313 175.091 174.700 0.129 0.000 1.005 379 T CA -0.192 61.961 62.100 0.088 0.000 1.162 379 T CB -0.223 68.701 68.868 0.094 0.000 0.968 379 T HN 0.239 nan 8.240 nan 0.000 0.530 380 L N 1.810 123.079 121.223 0.077 0.000 2.499 380 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 380 L C 1.238 178.241 176.870 0.222 0.000 1.234 380 L CA 0.065 54.974 54.840 0.114 0.000 0.839 380 L CB -0.071 41.981 42.059 -0.012 0.000 1.104 380 L HN 0.579 nan 8.230 nan 0.000 0.500 381 G N 0.626 109.557 108.800 0.219 0.000 3.324 381 G HA2 0.209 4.169 3.960 -0.000 0.000 0.251 381 G HA3 0.209 4.169 3.960 -0.000 0.000 0.251 381 G C -0.179 174.832 174.900 0.185 0.000 1.072 381 G CA 0.149 45.317 45.100 0.113 0.000 0.787 381 G HN 0.800 nan 8.290 nan 0.000 0.537 382 Y N -1.246 119.202 120.300 0.245 0.000 2.468 382 Y HA 0.837 5.387 4.550 -0.000 0.000 0.342 382 Y C -0.614 175.461 175.900 0.292 0.000 1.021 382 Y CA -2.144 56.096 58.100 0.232 0.000 1.079 382 Y CB 1.798 40.343 38.460 0.141 0.000 1.226 382 Y HN -0.123 nan 8.280 nan 0.000 0.460 383 E N 3.507 123.875 120.200 0.280 0.000 2.290 383 E HA 0.367 4.717 4.350 -0.000 0.000 0.274 383 E C -2.811 173.888 176.600 0.166 0.000 0.889 383 E CA -1.960 54.549 56.400 0.181 0.000 0.760 383 E CB 2.122 31.918 29.700 0.160 0.000 1.206 383 E HN 0.820 nan 8.360 nan 0.000 0.419 384 P HA 0.258 nan 4.420 nan 0.000 0.269 384 P C -0.921 176.503 177.300 0.207 0.000 1.209 384 P CA -0.140 63.045 63.100 0.141 0.000 0.776 384 P CB 0.572 32.338 31.700 0.110 0.000 0.876 385 N N -0.963 117.795 118.700 0.095 0.000 2.610 385 N HA 0.228 4.968 4.740 -0.000 0.000 0.264 385 N C -0.280 175.255 175.510 0.042 0.000 1.348 385 N CA -0.815 52.271 53.050 0.061 0.000 0.819 385 N CB 0.585 38.854 38.487 -0.363 0.000 1.521 385 N HN 0.257 nan 8.380 nan 0.000 0.497 386 D N -0.978 119.462 120.400 0.067 0.000 2.336 386 D HA -0.036 4.604 4.640 -0.000 0.000 0.229 386 D C 0.263 176.561 176.300 -0.003 0.000 1.061 386 D CA 0.612 54.636 54.000 0.040 0.000 0.875 386 D CB -0.035 40.802 40.800 0.063 0.000 0.904 386 D HN 0.691 nan 8.370 nan 0.000 0.525 387 Q N -0.602 119.170 119.800 -0.046 0.000 2.247 387 Q HA 0.269 4.609 4.340 -0.000 0.000 0.211 387 Q C 1.032 176.975 176.000 -0.094 0.000 0.861 387 Q CA 0.216 55.974 55.803 -0.075 0.000 0.949 387 Q CB 0.813 29.487 28.738 -0.108 0.000 1.115 387 Q HN 0.374 nan 8.270 nan 0.000 0.507 388 G N 1.872 110.626 108.800 -0.077 0.000 2.179 388 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 388 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 388 G C 0.091 174.920 174.900 -0.119 0.000 1.010 388 G CA 0.418 45.476 45.100 -0.071 0.000 0.736 388 G HN 0.272 nan 8.290 nan 0.000 0.513 389 Q N -1.014 118.669 119.800 -0.194 0.000 2.354 389 Q HA 0.414 4.754 4.340 -0.000 0.000 0.244 389 Q C 0.830 176.680 176.000 -0.250 0.000 0.969 389 Q CA 0.041 55.608 55.803 -0.394 0.000 0.885 389 Q CB -0.011 28.372 28.738 -0.591 0.000 1.241 389 Q HN 0.725 nan 8.270 nan 0.000 0.461 390 W N 0.573 121.877 121.300 0.006 0.000 5.963 390 W HA -0.228 4.432 4.660 -0.000 0.000 0.400 390 W C -0.097 176.407 176.519 -0.025 0.000 1.530 390 W CA 0.007 57.342 57.345 -0.018 0.000 1.004 390 W CB -2.068 27.365 29.460 -0.046 0.000 2.706 390 W HN 0.648 nan 8.180 nan 0.000 1.495 391 A N 1.342 124.232 122.820 0.117 0.000 2.454 391 A HA 0.382 4.702 4.320 -0.000 0.000 0.260 391 A C 0.977 178.612 177.584 0.085 0.000 1.106 391 A CA 0.020 52.101 52.037 0.073 0.000 0.780 391 A CB 0.235 19.252 19.000 0.028 0.000 1.044 391 A HN 0.473 nan 8.150 nan 0.000 0.498 392 E N 2.561 122.802 120.200 0.068 0.000 2.410 392 E HA 0.119 4.469 4.350 -0.000 0.000 0.255 392 E C -0.742 175.909 176.600 0.085 0.000 1.194 392 E CA -0.184 56.255 56.400 0.064 0.000 0.955 392 E CB 0.397 30.124 29.700 0.045 0.000 0.988 392 E HN 0.651 nan 8.360 nan 0.000 0.461 393 Q N 0.876 120.746 119.800 0.116 0.000 2.788 393 Q HA 0.172 4.512 4.340 -0.000 0.000 0.261 393 Q C -1.880 174.245 176.000 0.208 0.000 1.029 393 Q CA -1.752 54.171 55.803 0.200 0.000 0.848 393 Q CB 1.451 30.368 28.738 0.298 0.000 1.185 393 Q HN 0.513 nan 8.270 nan 0.000 0.482 394 P HA -0.166 nan 4.420 nan 0.000 0.222 394 P C 0.234 177.550 177.300 0.028 0.000 1.147 394 P CA 1.004 64.143 63.100 0.066 0.000 0.790 394 P CB 0.456 32.175 31.700 0.033 0.000 0.780 395 D N -0.643 119.740 120.400 -0.028 0.000 2.263 395 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 395 D C 1.233 177.355 176.300 -0.297 0.000 0.971 395 D CA 0.891 54.771 54.000 -0.200 0.000 0.867 395 D CB -0.662 39.929 40.800 -0.347 0.000 0.929 395 D HN 0.282 nan 8.370 nan 0.000 0.492 396 F N 0.382 120.329 119.950 -0.006 0.000 2.732 396 F HA 0.125 4.652 4.527 -0.000 0.000 0.303 396 F C 1.314 177.108 175.800 -0.009 0.000 1.110 396 F CA -0.214 57.780 58.000 -0.009 0.000 1.355 396 F CB -0.001 38.994 39.000 -0.007 0.000 1.081 396 F HN -0.322 nan 8.300 nan 0.000 0.565 397 S N 1.128 116.891 115.700 0.106 0.000 2.552 397 S HA -0.003 4.467 4.470 -0.000 0.000 0.289 397 S C 0.366 174.994 174.600 0.046 0.000 1.304 397 S CA -0.278 57.964 58.200 0.069 0.000 1.063 397 S CB 0.215 63.437 63.200 0.037 0.000 0.848 397 S HN 0.316 nan 8.310 nan 0.000 0.499 398 E N 4.129 124.355 120.200 0.043 0.000 2.318 398 E HA 0.344 4.694 4.350 -0.000 0.000 0.265 398 E C -2.008 174.600 176.600 0.014 0.000 1.069 398 E CA -1.826 54.588 56.400 0.024 0.000 0.893 398 E CB 0.367 30.079 29.700 0.021 0.000 1.076 398 E HN 0.527 nan 8.360 nan 0.000 0.414 399 P HA 0.183 nan 4.420 nan 0.000 0.274 399 P C -2.532 174.769 177.300 0.002 0.000 1.237 399 P CA -1.217 61.879 63.100 -0.008 0.000 0.793 399 P CB -0.323 31.361 31.700 -0.028 0.000 0.977 400 P HA 0.174 nan 4.420 nan 0.000 0.270 400 P C -0.708 176.603 177.300 0.018 0.000 1.223 400 P CA -0.129 62.981 63.100 0.016 0.000 0.785 400 P CB 0.221 31.928 31.700 0.012 0.000 0.923 401 L N 2.369 123.615 121.223 0.038 0.000 2.287 401 L HA 0.342 4.682 4.340 -0.000 0.000 0.287 401 L C -0.244 176.655 176.870 0.048 0.000 1.022 401 L CA -0.313 54.561 54.840 0.057 0.000 0.814 401 L CB 0.381 42.498 42.059 0.097 0.000 1.217 401 L HN 0.275 nan 8.230 nan 0.000 0.420 402 N N 4.018 122.746 118.700 0.047 0.000 2.492 402 N HA 0.363 5.103 4.740 -0.000 0.000 0.260 402 N C -1.145 174.383 175.510 0.031 0.000 1.215 402 N CA -0.269 52.801 53.050 0.034 0.000 0.923 402 N CB 0.551 39.056 38.487 0.031 0.000 1.092 402 N HN 0.327 nan 8.380 nan 0.000 0.448 403 L N 1.516 122.748 121.223 0.015 0.000 2.370 403 L HA 0.462 4.802 4.340 -0.000 0.000 0.266 403 L C -0.719 176.146 176.870 -0.008 0.000 1.002 403 L CA -0.428 54.412 54.840 0.000 0.000 0.818 403 L CB 1.873 43.936 42.059 0.006 0.000 1.325 403 L HN 0.569 nan 8.230 nan 0.000 0.418 404 D N 0.958 121.339 120.400 -0.032 0.000 2.936 404 D HA 0.661 5.301 4.640 -0.000 0.000 0.238 404 D C -0.445 175.817 176.300 -0.065 0.000 1.248 404 D CA 0.415 54.392 54.000 -0.038 0.000 0.903 404 D CB 1.631 42.402 40.800 -0.048 0.000 1.544 404 D HN 0.866 nan 8.370 nan 0.000 0.543 405 G N 1.394 110.192 108.800 -0.004 0.000 2.515 405 G HA2 0.488 4.448 3.960 -0.000 0.000 0.686 405 G HA3 0.488 4.448 3.960 -0.000 0.000 0.686 405 G C -0.362 174.650 174.900 0.187 0.000 1.274 405 G CA -0.455 44.678 45.100 0.054 0.000 0.874 405 G HN 0.785 nan 8.290 nan 0.000 0.631 406 A N 0.057 123.096 122.820 0.366 0.000 2.346 406 A HA 0.860 5.180 4.320 -0.000 0.000 0.252 406 A C 1.167 178.962 177.584 0.350 0.000 1.089 406 A CA 1.012 53.228 52.037 0.298 0.000 0.797 406 A CB 0.376 19.508 19.000 0.221 0.000 1.047 406 A HN 2.572 nan 8.150 nan 0.000 0.494 407 A N 0.394 123.312 122.820 0.164 0.000 2.396 407 A HA 0.585 4.905 4.320 -0.000 0.000 0.279 407 A C 0.423 178.000 177.584 -0.012 0.000 1.165 407 A CA 0.579 52.676 52.037 0.100 0.000 0.824 407 A CB -0.829 18.192 19.000 0.034 0.000 1.100 407 A HN 2.389 nan 8.150 nan 0.000 0.516 408 A N 2.637 125.401 122.820 -0.094 0.000 2.586 408 A HA 0.627 4.946 4.320 -0.000 0.000 0.290 408 A C -0.748 176.608 177.584 -0.381 0.000 1.086 408 A CA -0.754 51.059 52.037 -0.374 0.000 0.665 408 A CB 0.556 19.040 19.000 -0.861 0.000 1.279 408 A HN 0.804 nan 8.150 nan 0.000 0.423 409 H N 0.546 119.459 119.070 -0.262 0.000 2.982 409 H HA 0.160 4.716 4.556 -0.000 0.000 0.261 409 H C -1.077 174.189 175.328 -0.103 0.000 1.603 409 H CA 0.119 56.109 56.048 -0.096 0.000 1.398 409 H CB -0.046 29.678 29.762 -0.065 0.000 1.693 409 H HN 0.539 nan 8.280 nan 0.000 0.535 410 W N 2.078 123.423 121.300 0.075 0.000 2.308 410 W HA -0.028 4.632 4.660 -0.000 0.000 0.324 410 W C 0.852 177.417 176.519 0.077 0.000 1.387 410 W CA -0.294 57.089 57.345 0.063 0.000 1.250 410 W CB 0.310 29.794 29.460 0.040 0.000 1.257 410 W HN 0.436 nan 8.180 nan 0.000 0.554 411 D N 2.828 123.388 120.400 0.267 0.000 2.339 411 D HA -0.064 4.576 4.640 -0.000 0.000 0.256 411 D C 1.300 177.688 176.300 0.146 0.000 1.214 411 D CA 0.026 54.103 54.000 0.128 0.000 0.877 411 D CB 0.518 41.353 40.800 0.058 0.000 1.111 411 D HN 0.540 nan 8.370 nan 0.000 0.478 412 H N 3.377 122.546 119.070 0.165 0.000 2.521 412 H HA 0.040 4.596 4.556 -0.000 0.000 0.286 412 H C 1.050 176.457 175.328 0.131 0.000 1.034 412 H CA 1.040 57.174 56.048 0.143 0.000 1.278 412 H CB -0.023 29.823 29.762 0.140 0.000 1.386 412 H HN 0.308 nan 8.280 nan 0.000 0.567 413 R N 0.707 121.135 120.500 -0.120 0.000 2.339 413 R HA -0.062 4.278 4.340 -0.000 0.000 0.199 413 R C 1.621 177.960 176.300 0.064 0.000 1.018 413 R CA 0.747 56.878 56.100 0.052 0.000 1.036 413 R CB -0.131 30.169 30.300 0.000 0.000 0.899 413 R HN 0.625 nan 8.270 nan 0.000 0.473 414 E N 1.606 121.848 120.200 0.071 0.000 2.118 414 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 414 E C 0.142 176.752 176.600 0.015 0.000 0.992 414 E CA 0.984 57.418 56.400 0.057 0.000 0.804 414 E CB 0.108 29.857 29.700 0.082 0.000 0.741 414 E HN 0.063 nan 8.360 nan 0.000 0.458 415 D N 0.615 121.024 120.400 0.015 0.000 2.411 415 D HA 0.024 4.664 4.640 -0.000 0.000 0.225 415 D C -0.411 175.724 176.300 -0.274 0.000 1.156 415 D CA 0.092 54.051 54.000 -0.069 0.000 0.874 415 D CB 0.879 41.671 40.800 -0.013 0.000 1.034 415 D HN 0.113 nan 8.370 nan 0.000 0.502 416 E N 2.133 122.107 120.200 -0.377 0.000 2.465 416 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 416 E C -0.306 175.768 176.600 -0.877 0.000 1.028 416 E CA -0.181 55.753 56.400 -0.778 0.000 0.899 416 E CB 0.470 30.009 29.700 -0.269 0.000 1.032 416 E HN 0.331 nan 8.360 nan 0.000 0.468 417 D N 0.161 120.216 120.400 -0.575 0.000 2.508 417 D HA -0.036 4.604 4.640 -0.000 0.000 0.224 417 D C -0.054 175.993 176.300 -0.422 0.000 1.171 417 D CA -0.026 53.766 54.000 -0.347 0.000 1.006 417 D CB -0.105 40.611 40.800 -0.141 0.000 1.073 417 D HN 0.094 nan 8.370 nan 0.000 0.513 418 Y N 1.148 121.163 120.300 -0.475 0.000 2.509 418 Y HA 0.153 4.703 4.550 -0.000 0.000 0.270 418 Y C 1.154 176.649 175.900 -0.676 0.000 1.103 418 Y CA 0.042 57.694 58.100 -0.747 0.000 1.278 418 Y CB -0.036 37.638 38.460 -1.310 0.000 1.087 418 Y HN 0.256 nan 8.280 nan 0.000 0.542 419 F N -1.886 118.134 119.950 0.117 0.000 2.727 419 F HA 0.123 4.650 4.527 -0.000 0.000 0.302 419 F C 2.323 178.135 175.800 0.021 0.000 1.107 419 F CA 0.318 58.361 58.000 0.073 0.000 1.277 419 F CB -0.670 38.383 39.000 0.089 0.000 1.079 419 F HN -0.072 nan 8.300 nan 0.000 0.594 420 S N 0.419 116.198 115.700 0.132 0.000 2.356 420 S HA -0.217 4.253 4.470 -0.000 0.000 0.223 420 S C 1.809 176.405 174.600 -0.006 0.000 1.032 420 S CA 1.283 59.527 58.200 0.072 0.000 1.005 420 S CB -0.661 62.569 63.200 0.052 0.000 0.867 420 S HN 0.475 nan 8.310 nan 0.000 0.449 421 Q N 1.359 121.097 119.800 -0.103 0.000 2.079 421 Q HA 0.031 4.371 4.340 -0.000 0.000 0.200 421 Q C -0.408 175.347 176.000 -0.409 0.000 0.974 421 Q CA 1.340 56.984 55.803 -0.266 0.000 0.840 421 Q CB -1.294 27.235 28.738 -0.348 0.000 0.898 421 Q HN 0.515 nan 8.270 nan 0.000 0.430 422 P HA -0.152 nan 4.420 nan 0.000 0.216 422 P C 1.328 178.670 177.300 0.070 0.000 1.150 422 P CA 1.875 64.904 63.100 -0.119 0.000 0.837 422 P CB -0.385 31.376 31.700 0.101 0.000 0.786 423 G N -0.016 108.847 108.800 0.105 0.000 2.421 423 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 423 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 423 G C 1.230 176.212 174.900 0.137 0.000 1.171 423 G CA 0.939 46.135 45.100 0.161 0.000 0.775 423 G HN 0.166 nan 8.290 nan 0.000 0.543 424 D N 0.201 120.628 120.400 0.046 0.000 2.104 424 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 424 D C 2.387 178.691 176.300 0.006 0.000 0.994 424 D CA 0.825 54.833 54.000 0.014 0.000 0.830 424 D CB -0.454 40.330 40.800 -0.026 0.000 0.959 424 D HN 0.255 nan 8.370 nan 0.000 0.452 425 L N 0.018 121.238 121.223 -0.004 0.000 2.017 425 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 425 L C 2.164 179.029 176.870 -0.007 0.000 1.073 425 L CA 1.416 56.257 54.840 0.001 0.000 0.745 425 L CB -0.794 41.287 42.059 0.037 0.000 0.894 425 L HN -0.023 nan 8.230 nan 0.000 0.432 426 F N 0.440 120.312 119.950 -0.129 0.000 2.126 426 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 426 F C 2.132 177.860 175.800 -0.120 0.000 1.096 426 F CA 1.779 59.659 58.000 -0.201 0.000 1.255 426 F CB -0.924 37.921 39.000 -0.259 0.000 0.997 426 F HN 0.131 nan 8.300 nan 0.000 0.479 427 G N 0.427 109.187 108.800 -0.066 0.000 2.422 427 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 427 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 427 G C 1.647 176.439 174.900 -0.180 0.000 1.140 427 G CA 0.863 45.884 45.100 -0.132 0.000 0.775 427 G HN 0.444 nan 8.290 nan 0.000 0.545 428 L N 0.038 121.177 121.223 -0.140 0.000 2.552 428 L HA 0.247 4.587 4.340 -0.000 0.000 0.227 428 L C 1.331 178.108 176.870 -0.156 0.000 1.146 428 L CA -0.175 54.594 54.840 -0.119 0.000 0.858 428 L CB -0.155 41.858 42.059 -0.077 0.000 0.969 428 L HN 0.224 nan 8.230 nan 0.000 0.451 429 M N 0.048 119.498 119.600 -0.250 0.000 2.235 429 M HA 0.126 4.606 4.480 -0.000 0.000 0.351 429 M C 0.863 177.004 176.300 -0.265 0.000 1.178 429 M CA -0.176 54.964 55.300 -0.266 0.000 1.143 429 M CB 1.209 33.586 32.600 -0.373 0.000 1.530 429 M HN 0.091 nan 8.290 nan 0.000 0.461 430 T N -0.161 114.280 114.554 -0.189 0.000 2.802 430 T HA 0.285 4.635 4.350 -0.000 0.000 0.305 430 T C 1.199 175.786 174.700 -0.189 0.000 1.053 430 T CA -0.289 61.718 62.100 -0.155 0.000 1.058 430 T CB 0.848 69.655 68.868 -0.102 0.000 0.988 430 T HN 0.725 nan 8.240 nan 0.000 0.539 431 A N 0.447 123.186 122.820 -0.135 0.000 1.978 431 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 431 A C 2.266 179.786 177.584 -0.108 0.000 1.170 431 A CA 2.077 54.049 52.037 -0.108 0.000 0.636 431 A CB -1.104 17.872 19.000 -0.041 0.000 0.810 431 A HN 1.055 nan 8.150 nan 0.000 0.448 432 E N 0.273 120.417 120.200 -0.094 0.000 2.046 432 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 432 E C 1.891 178.423 176.600 -0.112 0.000 0.982 432 E CA 1.763 58.118 56.400 -0.076 0.000 0.800 432 E CB -0.261 29.407 29.700 -0.053 0.000 0.756 432 E HN 0.568 nan 8.360 nan 0.000 0.449 433 K N -0.052 120.263 120.400 -0.142 0.000 2.148 433 K HA -0.098 4.221 4.320 -0.000 0.000 0.204 433 K C 2.422 178.867 176.600 -0.258 0.000 1.050 433 K CA 1.357 57.548 56.287 -0.160 0.000 0.942 433 K CB -0.083 32.331 32.500 -0.143 0.000 0.724 433 K HN 0.270 nan 8.250 nan 0.000 0.446 434 Q N 0.230 119.806 119.800 -0.373 0.000 2.084 434 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 434 Q C 2.149 177.598 176.000 -0.920 0.000 0.978 434 Q CA 1.537 56.949 55.803 -0.651 0.000 0.844 434 Q CB -0.153 28.198 28.738 -0.645 0.000 0.898 434 Q HN 0.331 nan 8.270 nan 0.000 0.426 435 A N 0.631 123.183 122.820 -0.446 0.000 1.969 435 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 435 A C 1.990 179.529 177.584 -0.074 0.000 1.169 435 A CA 0.858 52.799 52.037 -0.160 0.000 0.635 435 A CB -0.475 18.540 19.000 0.025 0.000 0.810 435 A HN 0.288 nan 8.150 nan 0.000 0.445 436 I N -0.492 120.017 120.570 -0.102 0.000 2.226 436 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 436 I C 2.485 178.599 176.117 -0.005 0.000 1.100 436 I CA 0.990 62.272 61.300 -0.030 0.000 1.374 436 I CB -0.253 37.728 38.000 -0.032 0.000 1.057 436 I HN 0.359 nan 8.210 nan 0.000 0.413 437 L N 0.486 121.655 121.223 -0.090 0.000 2.012 437 L HA -0.261 4.078 4.340 -0.000 0.000 0.210 437 L C 2.646 179.629 176.870 0.189 0.000 1.073 437 L CA 2.001 56.842 54.840 0.001 0.000 0.748 437 L CB -0.393 41.594 42.059 -0.121 0.000 0.891 437 L HN 0.170 nan 8.230 nan 0.000 0.431 438 F N 0.128 120.180 119.950 0.171 0.000 2.069 438 F HA -0.328 4.198 4.527 -0.000 0.000 0.298 438 F C 2.430 178.291 175.800 0.101 0.000 1.113 438 F CA 1.152 59.244 58.000 0.153 0.000 1.214 438 F CB -0.460 38.617 39.000 0.129 0.000 0.978 438 F HN 0.247 nan 8.300 nan 0.000 0.474 439 D N 0.397 120.959 120.400 0.270 0.000 2.092 439 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 439 D C 1.640 178.022 176.300 0.136 0.000 0.994 439 D CA 1.899 55.994 54.000 0.160 0.000 0.828 439 D CB -0.428 40.441 40.800 0.115 0.000 0.963 439 D HN 0.235 nan 8.370 nan 0.000 0.450 440 N N -1.173 117.615 118.700 0.146 0.000 2.069 440 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 440 N C 1.670 177.294 175.510 0.189 0.000 1.031 440 N CA 1.645 54.789 53.050 0.156 0.000 0.852 440 N CB -0.130 38.455 38.487 0.163 0.000 1.018 440 N HN 0.166 nan 8.380 nan 0.000 0.423 441 T N 0.742 115.434 114.554 0.230 0.000 2.708 441 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 441 T C 2.115 176.850 174.700 0.059 0.000 1.037 441 T CA 1.252 63.489 62.100 0.228 0.000 1.146 441 T CB -0.401 68.670 68.868 0.339 0.000 0.865 441 T HN 0.335 nan 8.240 nan 0.000 0.435 442 A N 1.757 124.613 122.820 0.059 0.000 1.883 442 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 442 A C 2.387 179.942 177.584 -0.048 0.000 1.186 442 A CA 1.519 53.534 52.037 -0.036 0.000 0.624 442 A CB -0.516 18.468 19.000 -0.027 0.000 0.822 442 A HN 0.396 nan 8.150 nan 0.000 0.444 443 R N -0.666 119.841 120.500 0.011 0.000 2.115 443 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 443 R C 2.038 178.354 176.300 0.028 0.000 1.111 443 R CA 1.024 57.134 56.100 0.016 0.000 0.976 443 R CB -0.329 29.997 30.300 0.043 0.000 0.870 443 R HN 0.584 nan 8.270 nan 0.000 0.445 444 N N 0.851 119.591 118.700 0.067 0.000 2.309 444 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 444 N C 1.288 176.776 175.510 -0.038 0.000 1.018 444 N CA 0.880 54.014 53.050 0.140 0.000 0.876 444 N CB 0.167 38.869 38.487 0.359 0.000 0.972 444 N HN 0.208 nan 8.380 nan 0.000 0.434 445 L N 0.490 121.560 121.223 -0.256 0.000 2.591 445 L HA 0.085 4.425 4.340 -0.000 0.000 0.228 445 L C 0.823 177.583 176.870 -0.183 0.000 1.133 445 L CA -0.173 54.418 54.840 -0.415 0.000 0.880 445 L CB -0.327 41.441 42.059 -0.484 0.000 1.033 445 L HN 0.095 nan 8.230 nan 0.000 0.450 446 N N 0.852 119.495 118.700 -0.094 0.000 2.411 446 N HA -0.041 4.699 4.740 -0.000 0.000 0.265 446 N C 1.161 176.653 175.510 -0.030 0.000 1.266 446 N CA 1.037 54.056 53.050 -0.052 0.000 0.889 446 N CB 0.575 39.048 38.487 -0.024 0.000 1.069 446 N HN 0.344 nan 8.380 nan 0.000 0.476 447 G N 2.075 110.860 108.800 -0.025 0.000 2.253 447 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.251 447 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.251 447 G C 0.163 175.062 174.900 -0.001 0.000 0.998 447 G CA 0.182 45.278 45.100 -0.007 0.000 0.621 447 G HN 0.570 nan 8.290 nan 0.000 0.524 448 V N 3.184 123.089 119.914 -0.014 0.000 2.585 448 V HA 0.319 4.439 4.120 -0.000 0.000 0.296 448 V C -1.207 174.896 176.094 0.015 0.000 1.035 448 V CA -0.739 61.561 62.300 0.001 0.000 1.084 448 V CB 0.844 32.638 31.823 -0.048 0.000 0.953 448 V HN 0.186 nan 8.190 nan 0.000 0.483 449 P HA -0.052 nan 4.420 nan 0.000 0.261 449 P C 0.892 178.211 177.300 0.032 0.000 1.165 449 P CA 0.273 63.389 63.100 0.027 0.000 0.759 449 P CB 0.418 32.133 31.700 0.026 0.000 0.772 450 K N 4.126 124.548 120.400 0.037 0.000 2.089 450 K HA -0.251 4.068 4.320 -0.000 0.000 0.210 450 K C 1.659 178.235 176.600 -0.040 0.000 1.048 450 K CA 1.808 58.120 56.287 0.041 0.000 0.926 450 K CB -0.038 32.480 32.500 0.030 0.000 0.714 450 K HN 0.551 nan 8.250 nan 0.000 0.448 451 E N 0.818 120.993 120.200 -0.041 0.000 2.204 451 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 451 E C 1.999 178.579 176.600 -0.034 0.000 0.989 451 E CA 1.155 57.519 56.400 -0.061 0.000 0.824 451 E CB -0.462 29.213 29.700 -0.041 0.000 0.756 451 E HN 0.471 nan 8.360 nan 0.000 0.477 452 I N 1.021 121.598 120.570 0.012 0.000 2.277 452 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 452 I C 2.836 178.990 176.117 0.062 0.000 1.094 452 I CA 0.981 62.318 61.300 0.061 0.000 1.393 452 I CB -0.300 37.761 38.000 0.101 0.000 1.078 452 I HN 0.034 nan 8.210 nan 0.000 0.417 453 Q N 0.251 120.071 119.800 0.034 0.000 2.077 453 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 453 Q C 2.260 178.285 176.000 0.043 0.000 0.989 453 Q CA 1.534 57.365 55.803 0.048 0.000 0.853 453 Q CB -0.249 28.595 28.738 0.175 0.000 0.907 453 Q HN 0.324 nan 8.270 nan 0.000 0.418 454 L N 0.708 121.878 121.223 -0.089 0.000 2.141 454 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 454 L C 2.227 178.992 176.870 -0.177 0.000 1.094 454 L CA 1.566 56.266 54.840 -0.234 0.000 0.763 454 L CB -0.536 41.300 42.059 -0.370 0.000 0.908 454 L HN 0.127 nan 8.230 nan 0.000 0.437 455 R N -1.423 119.003 120.500 -0.124 0.000 2.081 455 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 455 R C 2.218 178.356 176.300 -0.270 0.000 1.131 455 R CA 1.576 57.557 56.100 -0.197 0.000 0.960 455 R CB -0.578 29.684 30.300 -0.063 0.000 0.856 455 R HN 0.461 nan 8.270 nan 0.000 0.436 456 H N 0.437 119.445 119.070 -0.104 0.000 2.326 456 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 456 H C 1.942 177.205 175.328 -0.109 0.000 1.081 456 H CA 1.580 57.638 56.048 0.016 0.000 1.334 456 H CB -0.142 29.692 29.762 0.121 0.000 1.385 456 H HN -0.121 nan 8.280 nan 0.000 0.504 457 V N 0.039 119.786 119.914 -0.278 0.000 2.407 457 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 457 V C 2.389 178.247 176.094 -0.393 0.000 1.055 457 V CA 2.201 64.233 62.300 -0.447 0.000 1.049 457 V CB -0.899 30.646 31.823 -0.462 0.000 0.662 457 V HN 0.545 nan 8.190 nan 0.000 0.455 458 T N -1.061 113.322 114.554 -0.285 0.000 2.684 458 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 458 T C 1.846 176.440 174.700 -0.177 0.000 1.036 458 T CA 1.811 63.794 62.100 -0.194 0.000 1.148 458 T CB -0.395 68.332 68.868 -0.235 0.000 0.863 458 T HN 0.528 nan 8.240 nan 0.000 0.436 459 H N 0.342 119.320 119.070 -0.154 0.000 2.321 459 H HA -0.008 4.548 4.556 -0.000 0.000 0.300 459 H C 2.726 177.900 175.328 -0.255 0.000 1.087 459 H CA 0.667 56.638 56.048 -0.129 0.000 1.319 459 H CB -1.072 28.781 29.762 0.151 0.000 1.379 459 H HN 0.384 nan 8.280 nan 0.000 0.501 460 C N 0.404 119.487 119.300 -0.362 0.000 2.425 460 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 460 C C 2.674 177.380 174.990 -0.473 0.000 1.280 460 C CA 0.665 59.207 59.018 -0.794 0.000 1.744 460 C CB -1.299 25.617 27.740 -1.373 0.000 1.989 460 C HN 0.550 nan 8.230 nan 0.000 0.491 461 Y N 1.768 121.837 120.300 -0.385 0.000 2.242 461 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 461 Y C 2.372 178.165 175.900 -0.179 0.000 1.137 461 Y CA 1.661 59.640 58.100 -0.202 0.000 1.181 461 Y CB -0.252 38.178 38.460 -0.050 0.000 0.989 461 Y HN 0.252 nan 8.280 nan 0.000 0.527 462 K N -0.330 119.980 120.400 -0.149 0.000 2.217 462 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 462 K C 2.257 178.726 176.600 -0.218 0.000 1.051 462 K CA 0.767 56.861 56.287 -0.322 0.000 0.952 462 K CB -0.193 31.802 32.500 -0.841 0.000 0.736 462 K HN 0.383 nan 8.250 nan 0.000 0.453 463 A N 1.070 123.835 122.820 -0.092 0.000 1.873 463 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 463 A C 0.750 178.349 177.584 0.025 0.000 1.186 463 A CA 1.261 53.359 52.037 0.102 0.000 0.616 463 A CB 0.127 19.268 19.000 0.234 0.000 0.823 463 A HN 0.277 nan 8.150 nan 0.000 0.442 464 D N -3.423 116.918 120.400 -0.098 0.000 2.804 464 D HA 0.252 4.892 4.640 -0.000 0.000 0.209 464 D C -2.659 173.447 176.300 -0.324 0.000 1.314 464 D CA -1.190 52.724 54.000 -0.144 0.000 0.894 464 D CB 1.424 42.215 40.800 -0.015 0.000 1.615 464 D HN -0.201 nan 8.370 nan 0.000 0.571 465 P HA -0.131 nan 4.420 nan 0.000 0.217 465 P C 1.031 178.224 177.300 -0.177 0.000 1.148 465 P CA 1.734 64.391 63.100 -0.739 0.000 0.834 465 P CB 0.335 31.699 31.700 -0.560 0.000 0.783 466 A N -1.943 120.861 122.820 -0.026 0.000 1.968 466 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 466 A C 2.193 179.851 177.584 0.123 0.000 1.169 466 A CA 0.995 53.126 52.037 0.156 0.000 0.638 466 A CB -1.671 17.559 19.000 0.383 0.000 0.812 466 A HN 0.110 nan 8.150 nan 0.000 0.446 467 Y N 1.050 121.047 120.300 -0.505 0.000 2.089 467 Y HA -0.083 4.467 4.550 -0.000 0.000 0.282 467 Y C 2.477 178.209 175.900 -0.279 0.000 1.139 467 Y CA 1.214 58.907 58.100 -0.680 0.000 1.123 467 Y CB -1.205 36.492 38.460 -1.272 0.000 0.980 467 Y HN 0.225 nan 8.280 nan 0.000 0.493 468 G N -0.162 108.505 108.800 -0.222 0.000 2.476 468 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 468 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 468 G C 1.659 176.416 174.900 -0.237 0.000 1.164 468 G CA 1.063 46.020 45.100 -0.238 0.000 0.768 468 G HN 0.548 nan 8.290 nan 0.000 0.560 469 E N 0.215 120.424 120.200 0.015 0.000 2.150 469 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 469 E C 2.651 179.091 176.600 -0.266 0.000 0.985 469 E CA 0.859 57.285 56.400 0.045 0.000 0.814 469 E CB -0.512 29.286 29.700 0.164 0.000 0.752 469 E HN 0.333 nan 8.360 nan 0.000 0.466 470 G N 1.118 109.526 108.800 -0.653 0.000 2.440 470 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 470 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 470 G C 1.525 175.881 174.900 -0.906 0.000 1.154 470 G CA 1.050 45.238 45.100 -1.520 0.000 0.767 470 G HN 0.260 nan 8.290 nan 0.000 0.552 471 I N 0.886 121.132 120.570 -0.541 0.000 2.400 471 I HA 0.066 4.235 4.170 -0.000 0.000 0.248 471 I C 3.093 179.037 176.117 -0.290 0.000 1.109 471 I CA 0.748 61.900 61.300 -0.246 0.000 1.425 471 I CB -0.517 37.406 38.000 -0.127 0.000 1.094 471 I HN 0.197 nan 8.210 nan 0.000 0.425 472 G N 1.294 109.888 108.800 -0.344 0.000 2.476 472 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 472 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 472 G C 1.718 176.528 174.900 -0.150 0.000 1.164 472 G CA 0.886 45.843 45.100 -0.238 0.000 0.768 472 G HN 0.292 nan 8.290 nan 0.000 0.560 473 K N -0.144 120.187 120.400 -0.115 0.000 2.009 473 K HA 0.012 4.332 4.320 -0.000 0.000 0.210 473 K C 2.528 179.042 176.600 -0.144 0.000 1.049 473 K CA 1.110 57.342 56.287 -0.091 0.000 0.929 473 K CB -0.361 32.090 32.500 -0.081 0.000 0.714 473 K HN 0.269 nan 8.250 nan 0.000 0.440 474 L N 0.752 121.874 121.223 -0.169 0.000 2.131 474 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 474 L C 1.996 178.726 176.870 -0.234 0.000 1.092 474 L CA 0.983 55.734 54.840 -0.149 0.000 0.759 474 L CB -0.331 41.672 42.059 -0.093 0.000 0.903 474 L HN 0.204 nan 8.230 nan 0.000 0.435 475 L N -0.579 120.398 121.223 -0.410 0.000 2.591 475 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 475 L C 1.461 177.924 176.870 -0.678 0.000 1.133 475 L CA 0.470 54.908 54.840 -0.671 0.000 0.880 475 L CB -0.417 40.924 42.059 -1.197 0.000 1.033 475 L HN 0.458 nan 8.230 nan 0.000 0.450 476 G N 0.153 108.716 108.800 -0.394 0.000 2.143 476 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.248 476 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.248 476 G C 0.214 175.100 174.900 -0.024 0.000 0.991 476 G CA -0.288 44.706 45.100 -0.175 0.000 0.689 476 G HN 0.276 nan 8.290 nan 0.000 0.522 477 F N 0.714 120.677 119.950 0.022 0.000 2.410 477 F HA 0.334 4.861 4.527 -0.000 0.000 0.334 477 F C 0.820 176.666 175.800 0.077 0.000 1.134 477 F CA -1.086 56.953 58.000 0.065 0.000 1.227 477 F CB 0.627 39.710 39.000 0.139 0.000 1.194 477 F HN -0.044 nan 8.300 nan 0.000 0.571 478 D N 2.009 122.544 120.400 0.224 0.000 2.302 478 D HA 0.065 4.705 4.640 -0.000 0.000 0.248 478 D C 1.124 177.361 176.300 -0.105 0.000 1.094 478 D CA 0.033 54.063 54.000 0.049 0.000 0.897 478 D CB 1.516 42.304 40.800 -0.020 0.000 1.200 478 D HN 0.506 nan 8.370 nan 0.000 0.429 479 I N 1.950 122.384 120.570 -0.227 0.000 2.315 479 I HA -0.335 3.835 4.170 -0.000 0.000 0.251 479 I C 2.078 177.692 176.117 -0.838 0.000 1.125 479 I CA 1.382 62.282 61.300 -0.667 0.000 1.392 479 I CB 0.120 37.932 38.000 -0.314 0.000 1.065 479 I HN 0.350 nan 8.210 nan 0.000 0.424 480 S N -0.280 115.151 115.700 -0.447 0.000 2.447 480 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 480 S C 1.622 175.996 174.600 -0.376 0.000 1.006 480 S CA 1.115 59.097 58.200 -0.362 0.000 0.957 480 S CB -0.567 62.507 63.200 -0.209 0.000 0.773 480 S HN 0.624 nan 8.310 nan 0.000 0.507 481 E N 0.304 120.274 120.200 -0.383 0.000 2.418 481 E HA -0.039 4.310 4.350 -0.000 0.000 0.197 481 E C 0.643 177.107 176.600 -0.226 0.000 1.026 481 E CA 0.953 57.199 56.400 -0.257 0.000 0.862 481 E CB -0.122 29.468 29.700 -0.184 0.000 0.799 481 E HN 1.073 nan 8.360 nan 0.000 0.518 482 Y N -3.687 116.425 120.300 -0.313 0.000 2.825 482 Y HA 0.409 4.959 4.550 -0.000 0.000 0.259 482 Y C 1.066 176.602 175.900 -0.607 0.000 1.113 482 Y CA -0.624 57.246 58.100 -0.383 0.000 1.241 482 Y CB -0.439 37.822 38.460 -0.331 0.000 1.331 482 Y HN -0.197 nan 8.280 nan 0.000 0.570 483 N N 1.528 119.773 118.700 -0.759 0.000 2.309 483 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 483 N C 0.333 175.564 175.510 -0.465 0.000 1.018 483 N CA 1.315 53.877 53.050 -0.814 0.000 0.876 483 N CB 0.235 38.419 38.487 -0.505 0.000 0.972 483 N HN 0.606 nan 8.380 nan 0.000 0.434 484 S N 0.000 115.529 115.700 -0.285 0.000 2.498 484 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 484 S CA 0.000 58.123 58.200 -0.128 0.000 1.107 484 S CB 0.000 63.136 63.200 -0.107 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517