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 2xwj_1_K DATA FIRST_RESID 10 DATA SEQUENCE GScSLEGVEI KGGSFRLLQE GQALEYVcPS GFYPYPVQTR TcRSTGSWST DATA SEQUENCE LKTQDQKTVR KAEcRAIHcP RPHDFENGEY WPRSPYYNVS DEISFHcYDG DATA SEQUENCE YTLRGSANRT cQVNGRWSGQ TAIcDNGAGY cSNPGIPIGT RKVGSQYRLE DATA SEQUENCE DSVTYHcSRG LTLRGSQRRT cQEGGSWSGT EPScQDSFMY DTPQEVAEAF DATA SEQUENCE LSSLTETIEG VDAEXXXXXX XXXXXXXXXX PSGSMNIYLV LDGSGSIGAS DATA SEQUENCE DFTGAKKCLV NLIEKVASYG VKPRYGLVTY ATYPKIWVKV SEADSSNADW DATA SEQUENCE VTKQLNEINY EDHKLKSGTN TKKALQAVYS MMSWPDDVPP EGWNRTRHVI DATA SEQUENCE ILMTDGLHNM GGDPITVIDE IRDLLYIGKD RKNPREDYLD VYVFGVGPLV DATA SEQUENCE NQVNINALAS KKDNEQHVFK VKDMENLEDV FYQMIDESQS LSLcGMVWEX DATA SEQUENCE XXGTDYHKQP WQAKISVIRP SKGHEScMGA VVSEYFVLTA AHcFTVDDKE DATA SEQUENCE HSIKVSVGGE KRDLEIEVVL FHPNYNINGK KEAGIPEFYD YDVALIKLKN DATA SEQUENCE KLKYGQTIRP IcLPcTEGTT RALRLPPTTT cQQQKEELLP AQDIKALFVS DATA SEQUENCE EEEKKLTRKE VYIKNGDKKG ScERDAQYAP GYDKVKDISE VVTPRFLcTG DATA SEQUENCE GVSPYADPNT cRGDSGGPLI VHKRSRFIQV GVISWGVVDV cKNQKRQKQV DATA SEQUENCE PAHARDFHIN LFQVLPWLKE KLQDEDLGFL AA 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 10 G C 0.000 174.894 174.900 -0.011 0.000 0.946 10 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 11 S N -0.918 114.768 115.700 -0.023 0.000 2.465 11 S HA 0.477 4.947 4.470 0.000 0.000 0.279 11 S C 0.315 174.869 174.600 -0.077 0.000 1.201 11 S CA -0.545 57.633 58.200 -0.035 0.000 1.053 11 S CB 0.466 63.647 63.200 -0.032 0.000 0.953 11 S HN 0.850 nan 8.310 nan 0.000 0.488 12 c N 4.495 123.034 118.600 -0.102 0.000 2.653 12 c HA 0.433 5.003 4.570 0.000 0.000 0.421 12 c C 1.620 175.514 174.090 -0.327 0.000 1.334 12 c CA -0.462 55.729 56.329 -0.229 0.000 1.885 12 c CB -0.671 41.682 42.510 -0.262 0.000 2.645 12 c HN 1.058 nan 8.230 nan 0.000 0.601 13 S N 2.814 118.289 115.700 -0.375 0.000 2.600 13 S HA 0.392 4.862 4.470 0.000 0.000 0.265 13 S C -0.542 173.772 174.600 -0.478 0.000 1.325 13 S CA -0.634 57.370 58.200 -0.328 0.000 1.002 13 S CB 0.333 63.389 63.200 -0.240 0.000 0.921 13 S HN 0.481 nan 8.310 nan 0.000 0.554 14 L N 2.275 123.329 121.223 -0.282 0.000 2.328 14 L HA 0.372 4.712 4.340 0.000 0.000 0.280 14 L C 0.141 176.929 176.870 -0.136 0.000 1.111 14 L CA 0.363 55.073 54.840 -0.216 0.000 0.909 14 L CB -0.604 41.419 42.059 -0.061 0.000 1.277 14 L HN 0.912 nan 8.230 nan 0.000 0.433 15 E N 1.165 121.270 120.200 -0.157 0.000 2.308 15 E HA 0.657 5.007 4.350 0.000 0.000 0.275 15 E C 0.530 177.281 176.600 0.252 0.000 0.890 15 E CA -0.479 55.935 56.400 0.024 0.000 0.754 15 E CB 1.508 31.196 29.700 -0.020 0.000 1.207 15 E HN 0.367 nan 8.360 nan 0.000 0.426 16 G N 2.109 111.039 108.800 0.216 0.000 2.284 16 G HA2 -0.436 3.524 3.960 0.000 0.000 0.261 16 G HA3 -0.436 3.524 3.960 0.000 0.000 0.261 16 G C 0.981 176.040 174.900 0.265 0.000 0.997 16 G CA 1.205 46.449 45.100 0.241 0.000 0.621 16 G HN 1.636 nan 8.290 nan 0.000 0.534 17 V N -1.138 118.969 119.914 0.322 0.000 2.049 17 V HA -0.359 3.761 4.120 0.000 0.000 0.145 17 V C 1.475 177.732 176.094 0.271 0.000 0.795 17 V CA 2.663 65.140 62.300 0.296 0.000 1.834 17 V CB -1.474 30.512 31.823 0.271 0.000 0.673 17 V HN 1.482 nan 8.190 nan 0.000 0.453 18 E N 1.513 121.968 120.200 0.425 0.000 2.605 18 E HA 0.454 4.804 4.350 0.000 0.000 0.255 18 E C -0.004 176.796 176.600 0.333 0.000 1.369 18 E CA -0.227 56.524 56.400 0.585 0.000 1.017 18 E CB 0.745 30.776 29.700 0.551 0.000 1.086 18 E HN 0.938 nan 8.360 nan 0.000 0.605 19 I N -0.449 120.301 120.570 0.300 0.000 2.359 19 I HA 0.156 4.326 4.170 0.000 0.000 0.294 19 I C 0.034 176.165 176.117 0.023 0.000 0.987 19 I CA -0.768 60.550 61.300 0.029 0.000 1.225 19 I CB 1.160 39.130 38.000 -0.049 0.000 1.366 19 I HN 0.451 nan 8.210 nan 0.000 0.466 20 K N 6.623 127.005 120.400 -0.031 0.000 2.395 20 K HA 0.321 4.641 4.320 0.000 0.000 0.283 20 K C 0.863 177.417 176.600 -0.077 0.000 1.068 20 K CA 1.018 57.281 56.287 -0.040 0.000 1.039 20 K CB -0.403 32.065 32.500 -0.052 0.000 0.924 20 K HN 1.121 nan 8.250 nan 0.000 0.468 21 G N 2.377 111.137 108.800 -0.067 0.000 2.137 21 G HA2 -0.181 3.779 3.960 0.000 0.000 0.237 21 G HA3 -0.181 3.779 3.960 0.000 0.000 0.237 21 G C 0.110 174.949 174.900 -0.101 0.000 1.002 21 G CA -0.217 44.816 45.100 -0.111 0.000 0.702 21 G HN 1.058 nan 8.290 nan 0.000 0.515 22 G N -1.475 107.309 108.800 -0.027 0.000 2.608 22 G HA2 0.906 4.866 3.960 0.000 0.000 0.291 22 G HA3 0.906 4.866 3.960 0.000 0.000 0.291 22 G C -0.521 174.436 174.900 0.094 0.000 1.425 22 G CA 0.614 45.727 45.100 0.023 0.000 0.787 22 G HN 1.718 nan 8.290 nan 0.000 0.484 23 S N -1.106 114.662 115.700 0.114 0.000 2.568 23 S HA 0.869 5.339 4.470 0.000 0.000 0.293 23 S C -0.819 173.899 174.600 0.197 0.000 1.089 23 S CA -0.838 57.425 58.200 0.105 0.000 0.945 23 S CB 1.795 64.986 63.200 -0.014 0.000 1.077 23 S HN 1.626 nan 8.310 nan 0.000 0.485 24 F N -0.323 119.688 119.950 0.102 0.000 2.561 24 F HA 0.837 5.364 4.527 0.000 0.000 0.321 24 F C -0.289 175.512 175.800 0.001 0.000 1.065 24 F CA -1.271 56.753 58.000 0.040 0.000 0.934 24 F CB 1.529 40.487 39.000 -0.069 0.000 1.215 24 F HN 0.861 nan 8.300 nan 0.000 0.471 25 R N 3.828 124.401 120.500 0.121 0.000 2.387 25 R HA 0.561 4.901 4.340 0.000 0.000 0.314 25 R C -1.497 174.905 176.300 0.171 0.000 0.958 25 R CA -0.824 55.296 56.100 0.033 0.000 0.846 25 R CB 1.707 32.015 30.300 0.014 0.000 1.147 25 R HN 1.008 nan 8.270 nan 0.000 0.447 26 L N 4.772 126.086 121.223 0.151 0.000 2.530 26 L HA 0.117 4.457 4.340 0.000 0.000 0.273 26 L C -0.281 176.643 176.870 0.091 0.000 1.141 26 L CA -0.151 54.798 54.840 0.182 0.000 0.905 26 L CB 0.484 42.643 42.059 0.165 0.000 1.202 26 L HN 0.684 nan 8.230 nan 0.000 0.473 27 L N 7.376 128.645 121.223 0.077 0.000 2.358 27 L HA 0.178 4.518 4.340 0.000 0.000 0.274 27 L C -0.141 176.754 176.870 0.041 0.000 1.136 27 L CA -0.185 54.681 54.840 0.044 0.000 0.970 27 L CB -0.060 42.018 42.059 0.032 0.000 1.314 27 L HN 0.773 nan 8.230 nan 0.000 0.427 28 Q N 3.044 122.864 119.800 0.033 0.000 3.197 28 Q HA -0.277 4.063 4.340 0.000 0.000 0.029 28 Q C 0.039 176.066 176.000 0.044 0.000 1.689 28 Q CA 1.163 56.985 55.803 0.032 0.000 0.256 28 Q CB -0.732 28.023 28.738 0.028 0.000 0.583 28 Q HN 0.905 nan 8.270 nan 0.000 0.322 29 E N 0.738 120.964 120.200 0.042 0.000 4.289 29 E HA -0.316 4.034 4.350 0.000 0.000 0.351 29 E C 1.002 177.628 176.600 0.044 0.000 0.606 29 E CA 1.726 58.151 56.400 0.042 0.000 1.464 29 E CB -1.847 27.879 29.700 0.045 0.000 1.831 29 E HN 1.707 nan 8.360 nan 0.000 0.400 30 G N -0.096 108.737 108.800 0.055 0.000 2.284 30 G HA2 -0.409 3.551 3.960 0.000 0.000 0.230 30 G HA3 -0.409 3.551 3.960 0.000 0.000 0.230 30 G C 0.831 175.784 174.900 0.088 0.000 1.021 30 G CA 0.663 45.803 45.100 0.066 0.000 0.619 30 G HN 0.305 nan 8.290 nan 0.000 0.510 31 Q N 0.295 120.140 119.800 0.076 0.000 2.046 31 Q HA 0.400 4.740 4.340 0.000 0.000 0.200 31 Q C 1.530 177.593 176.000 0.105 0.000 0.975 31 Q CA 1.391 57.248 55.803 0.089 0.000 0.836 31 Q CB 0.026 28.801 28.738 0.063 0.000 0.896 31 Q HN 0.974 nan 8.270 nan 0.000 0.428 32 A N 0.663 123.523 122.820 0.067 0.000 2.330 32 A HA 0.567 4.887 4.320 0.000 0.000 0.327 32 A C -0.776 176.816 177.584 0.013 0.000 1.155 32 A CA -0.744 51.309 52.037 0.027 0.000 0.803 32 A CB 0.717 19.723 19.000 0.010 0.000 1.208 32 A HN 0.215 nan 8.150 nan 0.000 0.477 33 L N -0.665 120.518 121.223 -0.066 0.000 2.235 33 L HA 0.918 5.258 4.340 0.000 0.000 0.260 33 L C -0.187 176.578 176.870 -0.176 0.000 1.025 33 L CA -0.828 53.959 54.840 -0.087 0.000 0.836 33 L CB 1.140 43.124 42.059 -0.124 0.000 1.395 33 L HN 0.715 nan 8.230 nan 0.000 0.443 34 E N -0.187 119.939 120.200 -0.123 0.000 2.281 34 E HA 0.374 4.724 4.350 0.000 0.000 0.266 34 E C -1.683 174.897 176.600 -0.032 0.000 0.893 34 E CA -0.622 55.724 56.400 -0.090 0.000 0.798 34 E CB 1.124 30.837 29.700 0.021 0.000 1.245 34 E HN 0.571 nan 8.360 nan 0.000 0.410 35 Y N 1.532 121.891 120.300 0.098 0.000 2.397 35 Y HA 0.218 4.768 4.550 0.000 0.000 0.335 35 Y C 0.388 176.369 175.900 0.135 0.000 1.213 35 Y CA -0.208 57.979 58.100 0.145 0.000 1.391 35 Y CB 1.111 39.615 38.460 0.074 0.000 1.293 35 Y HN 0.236 nan 8.280 nan 0.000 0.557 36 V N 2.812 122.906 119.914 0.300 0.000 2.383 36 V HA 0.138 4.258 4.120 0.000 0.000 0.264 36 V C -0.762 175.429 176.094 0.163 0.000 1.001 36 V CA -1.048 61.367 62.300 0.193 0.000 0.828 36 V CB 0.416 32.318 31.823 0.130 0.000 1.069 36 V HN 0.860 nan 8.190 nan 0.000 0.451 37 c N 6.692 125.392 118.600 0.167 0.000 2.555 37 c HA 0.258 4.828 4.570 0.000 0.000 0.385 37 c C -0.355 173.846 174.090 0.184 0.000 1.296 37 c CA -0.455 55.961 56.329 0.145 0.000 1.757 37 c CB 0.303 42.893 42.510 0.132 0.000 2.445 37 c HN 0.625 nan 8.230 nan 0.000 0.571 38 P HA -0.073 nan 4.420 nan 0.000 0.212 38 P C 0.153 177.557 177.300 0.174 0.000 1.180 38 P CA 0.545 63.739 63.100 0.158 0.000 0.770 38 P CB 0.075 31.863 31.700 0.146 0.000 0.568 39 S N -0.745 115.060 115.700 0.175 0.000 2.411 39 S HA 0.477 4.947 4.470 0.000 0.000 0.294 39 S C 0.632 175.074 174.600 -0.263 0.000 1.115 39 S CA 0.093 58.316 58.200 0.038 0.000 1.071 39 S CB -1.425 61.797 63.200 0.036 0.000 0.967 39 S HN 0.765 nan 8.310 nan 0.000 0.488 40 G N 3.845 112.440 108.800 -0.341 0.000 2.132 40 G HA2 -0.176 3.784 3.960 0.000 0.000 0.228 40 G HA3 -0.176 3.784 3.960 0.000 0.000 0.228 40 G C -0.343 173.829 174.900 -1.214 0.000 1.000 40 G CA 0.035 44.694 45.100 -0.735 0.000 0.693 40 G HN 0.656 nan 8.290 nan 0.000 0.515 41 F N -0.680 119.180 119.950 -0.150 0.000 2.619 41 F HA 0.666 5.193 4.527 0.000 0.000 0.308 41 F C -0.122 175.514 175.800 -0.274 0.000 1.097 41 F CA -1.812 55.999 58.000 -0.315 0.000 0.953 41 F CB 1.256 40.104 39.000 -0.253 0.000 1.287 41 F HN 0.236 nan 8.300 nan 0.000 0.446 42 Y N -0.519 119.679 120.300 -0.170 0.000 2.393 42 Y HA 0.795 5.345 4.550 0.000 0.000 0.341 42 Y C -3.132 172.786 175.900 0.030 0.000 0.988 42 Y CA -4.194 53.817 58.100 -0.148 0.000 1.078 42 Y CB 0.872 39.062 38.460 -0.450 0.000 1.203 42 Y HN 0.245 nan 8.280 nan 0.000 0.453 43 P HA -0.016 nan 4.420 nan 0.000 0.259 43 P C -1.295 176.161 177.300 0.260 0.000 1.211 43 P CA 0.720 63.942 63.100 0.203 0.000 0.810 43 P CB -0.325 31.532 31.700 0.261 0.000 0.815 44 Y N 7.277 127.603 120.300 0.043 0.000 2.361 44 Y HA 0.440 4.990 4.550 0.000 0.000 0.332 44 Y C -1.868 173.997 175.900 -0.059 0.000 1.101 44 Y CA -2.631 55.519 58.100 0.083 0.000 1.137 44 Y CB 1.855 40.369 38.460 0.090 0.000 1.207 44 Y HN 0.330 nan 8.280 nan 0.000 0.463 45 P HA 0.091 nan 4.420 nan 0.000 0.268 45 P C -1.314 175.812 177.300 -0.289 0.000 1.329 45 P CA 0.402 62.962 63.100 -0.900 0.000 0.899 45 P CB 0.263 31.285 31.700 -1.130 0.000 1.378 46 V N -3.220 116.616 119.914 -0.129 0.000 2.789 46 V HA 0.480 4.600 4.120 0.000 0.000 0.311 46 V C 0.931 177.092 176.094 0.113 0.000 1.073 46 V CA -0.805 61.484 62.300 -0.018 0.000 0.921 46 V CB 2.157 33.953 31.823 -0.046 0.000 1.009 46 V HN -0.329 nan 8.190 nan 0.000 0.426 47 Q N 1.883 121.750 119.800 0.111 0.000 2.432 47 Q HA 0.222 4.562 4.340 0.000 0.000 0.205 47 Q C 0.746 176.805 176.000 0.099 0.000 0.945 47 Q CA 1.466 57.361 55.803 0.153 0.000 0.924 47 Q CB 0.166 28.984 28.738 0.132 0.000 1.016 47 Q HN 1.123 nan 8.270 nan 0.000 0.503 48 T N -0.899 113.676 114.554 0.034 0.000 2.868 48 T HA 0.648 4.998 4.350 0.000 0.000 0.306 48 T C -1.678 172.934 174.700 -0.147 0.000 1.224 48 T CA -0.920 61.139 62.100 -0.068 0.000 1.012 48 T CB 1.083 69.927 68.868 -0.040 0.000 1.221 48 T HN 0.128 nan 8.240 nan 0.000 0.499 49 R N 2.639 122.984 120.500 -0.258 0.000 2.539 49 R HA 0.397 4.737 4.340 0.000 0.000 0.295 49 R C 0.037 176.207 176.300 -0.216 0.000 1.138 49 R CA -0.720 55.169 56.100 -0.352 0.000 0.936 49 R CB 1.652 31.501 30.300 -0.752 0.000 1.182 49 R HN 0.952 nan 8.270 nan 0.000 0.459 50 T N -1.659 112.838 114.554 -0.095 0.000 2.726 50 T HA 0.198 4.549 4.350 0.000 0.000 0.294 50 T C 0.380 175.149 174.700 0.114 0.000 1.013 50 T CA -0.528 61.577 62.100 0.008 0.000 0.996 50 T CB 1.371 70.246 68.868 0.011 0.000 1.016 50 T HN 0.616 nan 8.240 nan 0.000 0.529 51 c N 2.550 121.232 118.600 0.138 0.000 2.316 51 c HA 0.624 5.194 4.570 0.000 0.000 0.324 51 c C 0.192 174.349 174.090 0.112 0.000 1.226 51 c CA -0.944 55.497 56.329 0.187 0.000 1.450 51 c CB -0.449 42.157 42.510 0.159 0.000 2.123 51 c HN 0.849 nan 8.230 nan 0.000 0.454 52 R N 3.494 124.063 120.500 0.116 0.000 2.615 52 R HA 0.219 4.559 4.340 0.000 0.000 0.270 52 R C 1.091 177.420 176.300 0.048 0.000 1.081 52 R CA -0.027 56.115 56.100 0.070 0.000 1.154 52 R CB 0.642 30.984 30.300 0.070 0.000 1.063 52 R HN 0.923 nan 8.270 nan 0.000 0.519 53 S N -1.148 114.572 115.700 0.032 0.000 3.122 53 S HA -0.012 4.458 4.470 0.000 0.000 0.249 53 S C 0.788 175.395 174.600 0.013 0.000 1.334 53 S CA 0.001 58.212 58.200 0.019 0.000 1.251 53 S CB -0.665 62.544 63.200 0.016 0.000 1.034 53 S HN 0.688 nan 8.310 nan 0.000 0.478 54 T N -4.418 110.144 114.554 0.014 0.000 3.170 54 T HA 0.593 4.943 4.350 0.000 0.000 0.288 54 T C 1.418 176.113 174.700 -0.009 0.000 0.992 54 T CA 0.260 62.365 62.100 0.007 0.000 0.909 54 T CB 0.116 68.995 68.868 0.018 0.000 1.133 54 T HN 1.027 nan 8.240 nan 0.000 0.530 55 G N 1.590 110.376 108.800 -0.023 0.000 2.417 55 G HA2 -0.312 3.648 3.960 0.000 0.000 0.233 55 G HA3 -0.312 3.648 3.960 0.000 0.000 0.233 55 G C 0.475 175.313 174.900 -0.102 0.000 1.103 55 G CA 0.242 45.306 45.100 -0.059 0.000 0.647 55 G HN 0.766 nan 8.290 nan 0.000 0.512 56 S N 0.373 116.039 115.700 -0.057 0.000 2.671 56 S HA 0.735 5.205 4.470 0.000 0.000 0.272 56 S C -0.053 174.593 174.600 0.077 0.000 1.174 56 S CA 0.399 58.563 58.200 -0.059 0.000 1.004 56 S CB 0.670 63.894 63.200 0.040 0.000 1.077 56 S HN 1.104 nan 8.310 nan 0.000 0.553 57 W N -0.473 120.818 121.300 -0.016 0.000 2.992 57 W HA 0.639 5.299 4.660 0.000 0.000 0.342 57 W C -0.433 176.076 176.519 -0.017 0.000 1.176 57 W CA -1.993 55.340 57.345 -0.021 0.000 1.118 57 W CB -0.920 28.518 29.460 -0.035 0.000 1.457 57 W HN 0.712 nan 8.180 nan 0.000 0.573 58 S N 0.640 116.428 115.700 0.148 0.000 3.545 58 S HA -0.048 4.422 4.470 0.000 0.000 0.421 58 S C 0.485 175.059 174.600 -0.043 0.000 1.160 58 S CA 0.680 58.883 58.200 0.005 0.000 1.002 58 S CB -0.697 62.464 63.200 -0.066 0.000 0.703 58 S HN 0.794 nan 8.310 nan 0.000 0.505 59 T N 3.747 118.306 114.554 0.008 0.000 2.939 59 T HA 0.134 4.484 4.350 0.000 0.000 0.319 59 T C 0.418 175.087 174.700 -0.052 0.000 1.082 59 T CA -0.241 61.863 62.100 0.006 0.000 1.133 59 T CB -0.451 68.426 68.868 0.015 0.000 1.019 59 T HN 0.779 nan 8.240 nan 0.000 0.548 60 L N 2.956 124.153 121.223 -0.044 0.000 2.288 60 L HA 0.660 5.000 4.340 0.000 0.000 0.283 60 L C -0.112 176.721 176.870 -0.063 0.000 1.072 60 L CA -0.651 54.143 54.840 -0.076 0.000 0.862 60 L CB 0.070 42.089 42.059 -0.066 0.000 1.245 60 L HN 0.473 nan 8.230 nan 0.000 0.432 61 K N 1.887 122.238 120.400 -0.081 0.000 2.477 61 K HA 0.584 4.904 4.320 0.000 0.000 0.255 61 K C -0.229 176.305 176.600 -0.110 0.000 0.952 61 K CA -0.813 55.431 56.287 -0.072 0.000 0.826 61 K CB 2.602 35.076 32.500 -0.043 0.000 1.331 61 K HN 0.616 nan 8.250 nan 0.000 0.437 62 T N -0.312 114.182 114.554 -0.099 0.000 2.793 62 T HA 0.048 4.398 4.350 0.000 0.000 0.299 62 T C 1.021 175.677 174.700 -0.072 0.000 1.038 62 T CA -0.639 61.386 62.100 -0.124 0.000 0.948 62 T CB 0.402 69.238 68.868 -0.053 0.000 1.231 62 T HN 0.376 nan 8.240 nan 0.000 0.538 63 Q N 0.260 120.029 119.800 -0.051 0.000 2.451 63 Q HA 0.030 4.370 4.340 0.000 0.000 0.206 63 Q C 0.879 176.877 176.000 -0.004 0.000 0.947 63 Q CA 0.643 56.432 55.803 -0.023 0.000 0.937 63 Q CB -0.238 28.494 28.738 -0.010 0.000 1.025 63 Q HN 0.599 nan 8.270 nan 0.000 0.511 64 D N 0.162 120.565 120.400 0.005 0.000 2.349 64 D HA -0.032 4.608 4.640 0.000 0.000 0.215 64 D C 0.417 176.720 176.300 0.005 0.000 1.016 64 D CA 0.096 54.104 54.000 0.014 0.000 0.870 64 D CB 0.287 41.105 40.800 0.031 0.000 0.917 64 D HN -0.060 nan 8.370 nan 0.000 0.524 65 Q N -0.477 119.319 119.800 -0.006 0.000 2.393 65 Q HA -0.193 4.147 4.340 0.000 0.000 0.235 65 Q C 0.166 176.165 176.000 -0.002 0.000 0.823 65 Q CA 0.585 56.383 55.803 -0.008 0.000 1.284 65 Q CB -1.248 27.487 28.738 -0.005 0.000 1.669 65 Q HN 0.052 nan 8.270 nan 0.000 0.597 66 K N 1.602 122.005 120.400 0.005 0.000 2.715 66 K HA 0.069 4.389 4.320 0.000 0.000 0.248 66 K C -0.784 175.821 176.600 0.009 0.000 1.276 66 K CA 0.304 56.598 56.287 0.012 0.000 1.209 66 K CB -0.869 31.646 32.500 0.025 0.000 1.509 66 K HN 0.286 nan 8.250 nan 0.000 0.261 67 T N 0.916 115.471 114.554 0.001 0.000 2.254 67 T HA -0.130 4.220 4.350 0.000 0.000 0.192 67 T C 0.688 175.388 174.700 -0.000 0.000 1.106 67 T CA 0.222 62.321 62.100 -0.003 0.000 2.960 67 T CB -0.414 68.457 68.868 0.004 0.000 0.837 67 T HN 0.106 nan 8.240 nan 0.000 0.330 68 V N 5.513 125.418 119.914 -0.016 0.000 1.983 68 V HA -0.031 4.089 4.120 0.000 0.000 0.237 68 V C 1.774 177.865 176.094 -0.004 0.000 1.601 68 V CA 0.304 62.599 62.300 -0.009 0.000 1.566 68 V CB -0.954 30.837 31.823 -0.053 0.000 1.557 68 V HN 0.699 nan 8.190 nan 0.000 0.500 69 R N 1.011 121.517 120.500 0.010 0.000 2.303 69 R HA -0.093 4.247 4.340 0.000 0.000 0.225 69 R C 0.900 177.212 176.300 0.021 0.000 1.114 69 R CA 0.759 56.870 56.100 0.018 0.000 1.007 69 R CB -0.148 30.164 30.300 0.021 0.000 0.861 69 R HN 0.348 nan 8.270 nan 0.000 0.471 70 K N 0.315 120.725 120.400 0.017 0.000 2.690 70 K HA 0.403 4.723 4.320 0.000 0.000 0.243 70 K C -1.115 175.490 176.600 0.009 0.000 0.982 70 K CA -0.467 55.829 56.287 0.015 0.000 0.955 70 K CB 1.054 33.565 32.500 0.017 0.000 1.185 70 K HN 0.066 nan 8.250 nan 0.000 0.467 71 A N 3.225 126.031 122.820 -0.024 0.000 2.536 71 A HA 0.250 4.570 4.320 0.000 0.000 0.234 71 A C -0.181 177.396 177.584 -0.012 0.000 1.076 71 A CA 0.529 52.529 52.037 -0.062 0.000 0.769 71 A CB 0.145 19.037 19.000 -0.181 0.000 1.020 71 A HN 0.827 nan 8.150 nan 0.000 0.508 72 E N -1.357 118.894 120.200 0.086 0.000 2.489 72 E HA 0.637 4.988 4.350 0.000 0.000 0.201 72 E C -1.325 175.311 176.600 0.060 0.000 0.752 72 E CA -0.679 55.784 56.400 0.105 0.000 0.948 72 E CB 1.644 31.446 29.700 0.170 0.000 1.871 72 E HN 0.745 nan 8.360 nan 0.000 0.383 73 c N 1.370 119.949 118.600 -0.035 0.000 3.033 73 c HA 0.225 4.795 4.570 0.000 0.000 0.385 73 c C -0.466 173.434 174.090 -0.317 0.000 0.945 73 c CA -0.361 55.898 56.329 -0.116 0.000 1.252 73 c CB -0.941 41.477 42.510 -0.154 0.000 1.553 73 c HN 0.583 nan 8.230 nan 0.000 0.563 74 R N 1.989 122.194 120.500 -0.492 0.000 2.896 74 R HA 0.611 4.951 4.340 0.000 0.000 0.283 74 R C 0.625 176.516 176.300 -0.682 0.000 1.201 74 R CA 0.395 56.148 56.100 -0.579 0.000 1.178 74 R CB 0.426 30.431 30.300 -0.492 0.000 1.152 74 R HN 0.741 nan 8.270 nan 0.000 0.590 75 A N 0.619 123.168 122.820 -0.452 0.000 2.281 75 A HA 0.418 4.738 4.320 0.000 0.000 0.329 75 A C 0.039 177.272 177.584 -0.585 0.000 1.122 75 A CA -0.767 51.070 52.037 -0.333 0.000 0.850 75 A CB 0.527 19.444 19.000 -0.138 0.000 1.207 75 A HN 0.581 nan 8.150 nan 0.000 0.495 76 I N 1.554 121.807 120.570 -0.527 0.000 2.598 76 I HA 0.094 4.264 4.170 0.000 0.000 0.284 76 I C -0.193 175.726 176.117 -0.329 0.000 1.140 76 I CA 0.587 61.680 61.300 -0.346 0.000 1.420 76 I CB 0.044 37.874 38.000 -0.283 0.000 1.387 76 I HN 0.657 nan 8.210 nan 0.000 0.553 77 H N 3.829 123.048 119.070 0.249 0.000 2.679 77 H HA 0.421 4.977 4.556 0.000 0.000 0.367 77 H C -0.685 174.784 175.328 0.235 0.000 1.162 77 H CA -0.533 55.657 56.048 0.236 0.000 1.181 77 H CB 1.478 31.407 29.762 0.279 0.000 1.693 77 H HN 0.516 nan 8.280 nan 0.000 0.538 78 c N 2.994 121.738 118.600 0.240 0.000 2.364 78 c HA 0.345 4.915 4.570 0.000 0.000 0.356 78 c C -1.984 172.343 174.090 0.394 0.000 1.201 78 c CA -1.484 54.878 56.329 0.055 0.000 2.227 78 c CB 0.627 42.690 42.510 -0.744 0.000 2.387 78 c HN 0.646 nan 8.230 nan 0.000 0.546 79 P HA 0.083 nan 4.420 nan 0.000 0.264 79 P C -0.606 177.022 177.300 0.546 0.000 1.183 79 P CA 0.493 63.848 63.100 0.424 0.000 0.763 79 P CB 0.286 32.183 31.700 0.328 0.000 0.807 80 R N 4.735 125.502 120.500 0.445 0.000 2.254 80 R HA 0.287 4.627 4.340 0.000 0.000 0.318 80 R C -2.165 174.283 176.300 0.246 0.000 1.031 80 R CA -1.845 54.522 56.100 0.445 0.000 0.905 80 R CB 0.180 30.746 30.300 0.443 0.000 1.050 80 R HN 0.309 nan 8.270 nan 0.000 0.456 81 P HA 0.001 nan 4.420 nan 0.000 0.259 81 P C -0.419 176.821 177.300 -0.100 0.000 1.635 81 P CA 0.170 63.114 63.100 -0.259 0.000 1.199 81 P CB -0.385 30.843 31.700 -0.788 0.000 1.850 82 H N -0.719 118.388 119.070 0.061 0.000 2.566 82 H HA 0.343 4.899 4.556 0.000 0.000 0.280 82 H C -0.254 175.148 175.328 0.124 0.000 1.042 82 H CA -0.372 55.751 56.048 0.125 0.000 1.168 82 H CB -0.134 29.698 29.762 0.118 0.000 1.340 82 H HN 0.044 nan 8.280 nan 0.000 0.597 83 D N 0.204 120.530 120.400 -0.124 0.000 2.614 83 D HA 0.214 4.854 4.640 0.000 0.000 0.203 83 D C -1.959 174.384 176.300 0.071 0.000 1.312 83 D CA -0.623 53.359 54.000 -0.030 0.000 0.889 83 D CB 0.467 41.176 40.800 -0.151 0.000 1.615 83 D HN 0.193 nan 8.370 nan 0.000 0.567 84 F N 3.046 122.994 119.950 -0.003 0.000 2.605 84 F HA 0.378 4.905 4.527 0.000 0.000 0.320 84 F C -1.167 174.665 175.800 0.053 0.000 1.159 84 F CA -0.544 57.461 58.000 0.007 0.000 0.999 84 F CB 1.458 40.499 39.000 0.068 0.000 1.258 84 F HN 0.276 nan 8.300 nan 0.000 0.464 85 E N 3.499 123.367 120.200 -0.552 0.000 2.263 85 E HA 0.452 4.802 4.350 0.000 0.000 0.264 85 E C -0.592 175.709 176.600 -0.499 0.000 0.923 85 E CA -0.992 55.213 56.400 -0.326 0.000 0.802 85 E CB 1.252 30.834 29.700 -0.196 0.000 1.228 85 E HN 0.570 nan 8.360 nan 0.000 0.417 86 N N -0.608 117.955 118.700 -0.227 0.000 2.714 86 N HA -0.168 4.572 4.740 0.000 0.000 0.250 86 N C -0.351 174.903 175.510 -0.428 0.000 1.117 86 N CA 1.569 54.380 53.050 -0.398 0.000 0.719 86 N CB -1.344 36.666 38.487 -0.795 0.000 1.081 86 N HN 0.882 nan 8.380 nan 0.000 0.557 87 G N -1.365 107.200 108.800 -0.391 0.000 2.428 87 G HA2 0.537 4.497 3.960 0.000 0.000 0.305 87 G HA3 0.537 4.497 3.960 0.000 0.000 0.305 87 G C -2.050 172.833 174.900 -0.027 0.000 1.260 87 G CA -0.231 44.649 45.100 -0.367 0.000 0.853 87 G HN 0.215 nan 8.290 nan 0.000 0.480 88 E N -1.207 119.094 120.200 0.169 0.000 2.335 88 E HA 0.598 4.948 4.350 0.000 0.000 0.280 88 E C -1.694 174.941 176.600 0.057 0.000 0.918 88 E CA -0.845 55.632 56.400 0.129 0.000 0.765 88 E CB 1.486 31.209 29.700 0.039 0.000 1.218 88 E HN 0.832 nan 8.360 nan 0.000 0.425 89 Y N 2.704 122.876 120.300 -0.214 0.000 2.468 89 Y HA 0.933 5.483 4.550 0.000 0.000 0.342 89 Y C -0.968 174.843 175.900 -0.148 0.000 1.021 89 Y CA -1.078 56.725 58.100 -0.494 0.000 1.079 89 Y CB 1.210 39.096 38.460 -0.956 0.000 1.226 89 Y HN 0.500 nan 8.280 nan 0.000 0.460 90 W N 1.437 122.491 121.300 -0.411 0.000 3.248 90 W HA 0.644 5.304 4.660 0.000 0.000 0.311 90 W C -3.581 172.829 176.519 -0.182 0.000 1.258 90 W CA -2.257 54.910 57.345 -0.296 0.000 1.191 90 W CB 1.092 30.408 29.460 -0.241 0.000 1.389 90 W HN 0.442 nan 8.180 nan 0.000 0.561 91 P HA 0.393 nan 4.420 nan 0.000 0.276 91 P C -0.624 176.777 177.300 0.170 0.000 1.261 91 P CA -0.333 62.891 63.100 0.207 0.000 0.800 91 P CB 0.894 32.711 31.700 0.194 0.000 1.066 92 R N 0.428 120.975 120.500 0.079 0.000 2.387 92 R HA 0.666 5.006 4.340 0.000 0.000 0.314 92 R C -0.652 175.635 176.300 -0.021 0.000 0.958 92 R CA -0.357 55.803 56.100 0.099 0.000 0.846 92 R CB 1.327 31.602 30.300 -0.041 0.000 1.147 92 R HN 0.455 nan 8.270 nan 0.000 0.447 93 S N 2.471 118.054 115.700 -0.194 0.000 2.569 93 S HA 0.297 4.767 4.470 0.000 0.000 0.280 93 S C -2.111 172.241 174.600 -0.414 0.000 1.111 93 S CA -1.136 56.814 58.200 -0.417 0.000 0.887 93 S CB 2.242 65.056 63.200 -0.643 0.000 1.095 93 S HN 0.407 nan 8.310 nan 0.000 0.476 94 P HA 0.025 nan 4.420 nan 0.000 0.226 94 P C -0.672 176.621 177.300 -0.010 0.000 1.146 94 P CA 1.197 64.231 63.100 -0.111 0.000 0.773 94 P CB -0.208 31.479 31.700 -0.021 0.000 0.772 95 Y N -5.593 114.555 120.300 -0.253 0.000 2.583 95 Y HA 0.497 5.047 4.550 0.000 0.000 0.330 95 Y C -1.729 174.050 175.900 -0.202 0.000 1.185 95 Y CA -1.957 56.033 58.100 -0.183 0.000 1.107 95 Y CB -0.056 38.241 38.460 -0.272 0.000 1.344 95 Y HN -0.290 nan 8.280 nan 0.000 0.463 96 Y N 2.736 123.277 120.300 0.401 0.000 2.334 96 Y HA 0.445 4.995 4.550 0.000 0.000 0.336 96 Y C 0.184 176.270 175.900 0.311 0.000 0.960 96 Y CA -0.785 57.504 58.100 0.315 0.000 1.164 96 Y CB 0.964 39.639 38.460 0.359 0.000 1.155 96 Y HN 0.657 nan 8.280 nan 0.000 0.478 97 N N 0.754 119.680 118.700 0.377 0.000 2.290 97 N HA 0.167 4.907 4.740 0.000 0.000 0.269 97 N C -0.349 175.169 175.510 0.014 0.000 1.295 97 N CA -0.421 52.729 53.050 0.165 0.000 0.932 97 N CB 0.363 38.937 38.487 0.145 0.000 1.128 97 N HN 0.244 nan 8.380 nan 0.000 0.532 98 V N 0.543 120.414 119.914 -0.072 0.000 2.924 98 V HA 0.064 4.184 4.120 0.000 0.000 0.305 98 V C 0.900 176.958 176.094 -0.060 0.000 1.073 98 V CA 0.219 62.452 62.300 -0.113 0.000 1.098 98 V CB 0.773 32.506 31.823 -0.150 0.000 1.000 98 V HN 0.958 nan 8.190 nan 0.000 0.484 99 S N 0.675 116.329 115.700 -0.076 0.000 3.521 99 S HA -0.195 4.275 4.470 0.000 0.000 0.328 99 S C -0.172 174.434 174.600 0.010 0.000 1.165 99 S CA 1.059 59.240 58.200 -0.032 0.000 0.941 99 S CB -2.049 61.141 63.200 -0.017 0.000 0.951 99 S HN 0.866 nan 8.310 nan 0.000 0.539 100 D N 2.135 122.549 120.400 0.025 0.000 2.225 100 D HA 0.527 5.167 4.640 0.000 0.000 0.248 100 D C 0.362 176.762 176.300 0.167 0.000 1.096 100 D CA -0.104 53.968 54.000 0.120 0.000 0.863 100 D CB 0.934 41.876 40.800 0.236 0.000 1.156 100 D HN 0.618 nan 8.370 nan 0.000 0.450 101 E N 1.365 121.640 120.200 0.124 0.000 2.191 101 E HA 0.613 4.963 4.350 0.000 0.000 0.274 101 E C -0.143 176.430 176.600 -0.046 0.000 0.948 101 E CA -0.797 55.643 56.400 0.067 0.000 0.802 101 E CB 2.042 31.736 29.700 -0.010 0.000 1.137 101 E HN 0.435 nan 8.360 nan 0.000 0.397 102 I N -1.350 119.105 120.570 -0.191 0.000 2.686 102 I HA 0.572 4.742 4.170 0.000 0.000 0.295 102 I C -0.541 175.161 176.117 -0.692 0.000 1.114 102 I CA -0.855 60.141 61.300 -0.508 0.000 1.038 102 I CB 2.225 39.809 38.000 -0.694 0.000 1.238 102 I HN 0.428 nan 8.210 nan 0.000 0.420 103 S N 3.731 118.838 115.700 -0.988 0.000 2.568 103 S HA 0.795 5.265 4.470 0.000 0.000 0.302 103 S C -1.037 172.994 174.600 -0.949 0.000 1.082 103 S CA -0.581 57.108 58.200 -0.851 0.000 1.009 103 S CB 1.561 64.239 63.200 -0.869 0.000 1.069 103 S HN 0.519 nan 8.310 nan 0.000 0.500 104 F N 0.988 120.772 119.950 -0.277 0.000 2.546 104 F HA 0.565 5.092 4.527 0.000 0.000 0.320 104 F C 0.451 176.278 175.800 0.044 0.000 1.076 104 F CA -0.535 57.350 58.000 -0.191 0.000 0.928 104 F CB 1.889 40.731 39.000 -0.264 0.000 1.189 104 F HN 0.740 nan 8.300 nan 0.000 0.465 105 H N 2.022 121.194 119.070 0.169 0.000 3.083 105 H HA 0.354 4.910 4.556 0.000 0.000 0.339 105 H C -1.313 174.065 175.328 0.083 0.000 1.020 105 H CA -0.663 55.471 56.048 0.143 0.000 1.360 105 H CB 1.519 31.376 29.762 0.159 0.000 1.811 105 H HN 0.757 nan 8.280 nan 0.000 0.493 106 c N 4.073 122.519 118.600 -0.257 0.000 2.580 106 c HA 0.242 4.812 4.570 0.000 0.000 0.371 106 c C 0.650 174.631 174.090 -0.181 0.000 1.308 106 c CA -0.435 55.778 56.329 -0.192 0.000 2.428 106 c CB -0.435 42.038 42.510 -0.061 0.000 2.529 106 c HN 0.623 nan 8.230 nan 0.000 0.657 107 Y N 0.116 120.454 120.300 0.064 0.000 2.188 107 Y HA 0.165 4.715 4.550 0.000 0.000 0.360 107 Y C 0.937 176.979 175.900 0.238 0.000 1.324 107 Y CA 0.234 58.432 58.100 0.163 0.000 1.726 107 Y CB 0.094 38.631 38.460 0.129 0.000 1.536 107 Y HN 0.535 nan 8.280 nan 0.000 0.628 108 D N 0.030 120.686 120.400 0.427 0.000 2.383 108 D HA 0.330 4.970 4.640 0.000 0.000 0.252 108 D C 0.928 177.366 176.300 0.231 0.000 1.166 108 D CA 1.261 55.420 54.000 0.265 0.000 0.879 108 D CB 0.657 41.570 40.800 0.188 0.000 1.164 108 D HN 0.772 nan 8.370 nan 0.000 0.462 109 G N 1.634 110.503 108.800 0.115 0.000 2.159 109 G HA2 -0.238 3.722 3.960 0.000 0.000 0.227 109 G HA3 -0.238 3.722 3.960 0.000 0.000 0.227 109 G C -0.361 174.402 174.900 -0.229 0.000 0.986 109 G CA -0.340 44.723 45.100 -0.062 0.000 0.651 109 G HN 0.441 nan 8.290 nan 0.000 0.523 110 Y N 0.561 120.890 120.300 0.047 0.000 2.446 110 Y HA 0.637 5.187 4.550 0.000 0.000 0.345 110 Y C 0.659 176.553 175.900 -0.011 0.000 0.984 110 Y CA -0.506 57.609 58.100 0.025 0.000 1.058 110 Y CB 2.188 40.675 38.460 0.045 0.000 1.220 110 Y HN 0.057 nan 8.280 nan 0.000 0.455 111 T N 4.319 118.947 114.554 0.123 0.000 2.837 111 T HA 0.362 4.712 4.350 0.000 0.000 0.285 111 T C -1.091 173.632 174.700 0.038 0.000 0.984 111 T CA -0.517 61.613 62.100 0.050 0.000 1.049 111 T CB 0.811 69.688 68.868 0.015 0.000 0.947 111 T HN 0.337 nan 8.240 nan 0.000 0.472 112 L N 5.285 126.512 121.223 0.008 0.000 2.262 112 L HA 0.500 4.840 4.340 0.000 0.000 0.288 112 L C 0.219 177.079 176.870 -0.016 0.000 1.035 112 L CA -0.471 54.367 54.840 -0.003 0.000 0.820 112 L CB 0.214 42.270 42.059 -0.006 0.000 1.204 112 L HN 0.647 nan 8.230 nan 0.000 0.424 113 R N 3.919 124.399 120.500 -0.034 0.000 2.604 113 R HA 0.968 5.308 4.340 0.000 0.000 0.287 113 R C 0.114 176.375 176.300 -0.065 0.000 0.970 113 R CA -0.148 55.924 56.100 -0.046 0.000 0.946 113 R CB 1.360 31.628 30.300 -0.053 0.000 1.127 113 R HN 0.865 nan 8.270 nan 0.000 0.473 114 G N 1.050 109.815 108.800 -0.058 0.000 2.472 114 G HA2 -0.193 3.767 3.960 0.000 0.000 0.205 114 G HA3 -0.193 3.767 3.960 0.000 0.000 0.205 114 G C -1.103 173.765 174.900 -0.053 0.000 1.270 114 G CA -0.425 44.633 45.100 -0.071 0.000 0.974 114 G HN 0.635 nan 8.290 nan 0.000 0.542 115 S N 0.790 116.451 115.700 -0.065 0.000 2.465 115 S HA 0.573 5.043 4.470 0.000 0.000 0.279 115 S C 1.338 175.937 174.600 -0.003 0.000 1.201 115 S CA 0.649 58.833 58.200 -0.027 0.000 1.053 115 S CB 1.346 64.536 63.200 -0.016 0.000 0.953 115 S HN 1.700 nan 8.310 nan 0.000 0.488 116 A N 3.955 126.798 122.820 0.038 0.000 1.897 116 A HA 0.048 4.368 4.320 0.000 0.000 0.215 116 A C 0.646 178.295 177.584 0.109 0.000 1.181 116 A CA 0.843 52.939 52.037 0.098 0.000 0.620 116 A CB -0.155 18.890 19.000 0.075 0.000 0.821 116 A HN 0.656 nan 8.150 nan 0.000 0.443 117 N N 0.686 119.408 118.700 0.037 0.000 2.424 117 N HA 0.496 5.236 4.740 0.000 0.000 0.271 117 N C -0.898 174.629 175.510 0.029 0.000 0.985 117 N CA -0.113 52.927 53.050 -0.017 0.000 0.921 117 N CB 1.231 39.692 38.487 -0.043 0.000 1.149 117 N HN 0.308 nan 8.380 nan 0.000 0.492 118 R N 0.728 121.252 120.500 0.039 0.000 2.621 118 R HA 0.584 4.924 4.340 0.000 0.000 0.292 118 R C -0.736 175.708 176.300 0.240 0.000 0.969 118 R CA -0.700 55.480 56.100 0.134 0.000 0.887 118 R CB 1.880 32.272 30.300 0.153 0.000 1.180 118 R HN 0.334 nan 8.270 nan 0.000 0.450 119 T N 1.095 115.801 114.554 0.254 0.000 2.829 119 T HA 0.138 4.488 4.350 0.000 0.000 0.280 119 T C -0.374 174.377 174.700 0.085 0.000 0.999 119 T CA -0.476 61.742 62.100 0.197 0.000 0.983 119 T CB 1.508 70.418 68.868 0.071 0.000 0.968 119 T HN 0.632 nan 8.240 nan 0.000 0.446 120 c N 4.928 123.409 118.600 -0.199 0.000 2.651 120 c HA 0.227 4.797 4.570 0.000 0.000 0.410 120 c C 0.726 174.641 174.090 -0.293 0.000 1.372 120 c CA -0.045 55.916 56.329 -0.613 0.000 1.707 120 c CB -1.468 40.563 42.510 -0.799 0.000 2.501 120 c HN 0.824 nan 8.230 nan 0.000 0.598 121 Q N 3.058 122.703 119.800 -0.259 0.000 2.162 121 Q HA 0.217 4.557 4.340 0.000 0.000 0.197 121 Q C 1.090 177.000 176.000 -0.150 0.000 1.013 121 Q CA -0.565 55.148 55.803 -0.149 0.000 1.040 121 Q CB 0.985 29.662 28.738 -0.102 0.000 1.114 121 Q HN 0.674 nan 8.270 nan 0.000 0.547 122 V N 1.321 121.178 119.914 -0.094 0.000 2.667 122 V HA -0.157 3.963 4.120 0.000 0.000 0.252 122 V C 1.084 177.156 176.094 -0.037 0.000 1.065 122 V CA 1.873 64.125 62.300 -0.080 0.000 1.083 122 V CB -0.525 31.276 31.823 -0.036 0.000 0.692 122 V HN 0.796 nan 8.190 nan 0.000 0.468 123 N N 0.909 119.555 118.700 -0.091 0.000 2.413 123 N HA 0.149 4.889 4.740 0.000 0.000 0.207 123 N C 1.230 176.585 175.510 -0.259 0.000 1.206 123 N CA 0.716 53.580 53.050 -0.310 0.000 0.832 123 N CB -0.476 37.708 38.487 -0.505 0.000 1.037 123 N HN 0.593 nan 8.380 nan 0.000 0.467 124 G N -0.162 108.585 108.800 -0.089 0.000 2.203 124 G HA2 -0.345 3.615 3.960 0.000 0.000 0.263 124 G HA3 -0.345 3.615 3.960 0.000 0.000 0.263 124 G C -0.119 174.661 174.900 -0.200 0.000 1.012 124 G CA 0.408 45.495 45.100 -0.021 0.000 0.749 124 G HN 0.569 nan 8.290 nan 0.000 0.512 125 R N -2.054 118.290 120.500 -0.259 0.000 2.888 125 R HA 0.604 4.944 4.340 0.000 0.000 0.266 125 R C -0.789 175.336 176.300 -0.292 0.000 1.020 125 R CA -1.008 54.954 56.100 -0.230 0.000 0.963 125 R CB 1.089 31.306 30.300 -0.138 0.000 1.197 125 R HN 0.158 nan 8.270 nan 0.000 0.481 126 W N 1.051 122.318 121.300 -0.054 0.000 2.365 126 W HA 0.267 4.927 4.660 0.000 0.000 0.316 126 W C 0.720 177.209 176.519 -0.049 0.000 1.164 126 W CA -0.282 57.032 57.345 -0.052 0.000 1.204 126 W CB 1.255 30.680 29.460 -0.059 0.000 1.213 126 W HN 0.534 nan 8.180 nan 0.000 0.539 127 S N 2.438 118.253 115.700 0.193 0.000 2.608 127 S HA 0.751 5.221 4.470 0.000 0.000 0.261 127 S C 0.695 175.351 174.600 0.094 0.000 1.314 127 S CA 0.076 58.338 58.200 0.102 0.000 0.992 127 S CB 0.767 64.010 63.200 0.072 0.000 0.935 127 S HN 1.426 nan 8.310 nan 0.000 0.564 128 G N 0.731 109.559 108.800 0.047 0.000 2.752 128 G HA2 -0.112 3.848 3.960 0.000 0.000 0.234 128 G HA3 -0.112 3.848 3.960 0.000 0.000 0.234 128 G C -0.716 174.183 174.900 -0.002 0.000 1.367 128 G CA -0.198 44.914 45.100 0.021 0.000 0.879 128 G HN 0.875 nan 8.290 nan 0.000 0.563 129 Q N -0.748 119.032 119.800 -0.034 0.000 2.166 129 Q HA 0.585 4.925 4.340 0.000 0.000 0.226 129 Q C 0.559 176.486 176.000 -0.122 0.000 0.989 129 Q CA -0.273 55.491 55.803 -0.066 0.000 0.966 129 Q CB 0.310 29.008 28.738 -0.067 0.000 1.173 129 Q HN 0.689 nan 8.270 nan 0.000 0.509 130 T N 1.221 115.684 114.554 -0.151 0.000 2.851 130 T HA 0.372 4.722 4.350 0.000 0.000 0.298 130 T C -0.203 174.326 174.700 -0.284 0.000 0.977 130 T CA -0.323 61.638 62.100 -0.231 0.000 1.126 130 T CB 0.464 69.214 68.868 -0.196 0.000 0.916 130 T HN 0.541 nan 8.240 nan 0.000 0.529 131 A N 4.462 126.990 122.820 -0.486 0.000 2.354 131 A HA 0.621 4.941 4.320 0.000 0.000 0.281 131 A C -0.078 177.365 177.584 -0.236 0.000 1.174 131 A CA -0.461 51.287 52.037 -0.482 0.000 0.828 131 A CB -0.230 18.091 19.000 -1.132 0.000 1.099 131 A HN 0.852 nan 8.150 nan 0.000 0.516 132 I N 1.775 122.255 120.570 -0.149 0.000 2.533 132 I HA 0.248 4.418 4.170 0.000 0.000 0.290 132 I C -0.884 175.168 176.117 -0.110 0.000 1.056 132 I CA -0.467 60.743 61.300 -0.151 0.000 1.057 132 I CB 2.208 40.111 38.000 -0.162 0.000 1.240 132 I HN 0.513 nan 8.210 nan 0.000 0.423 133 c N 3.755 122.251 118.600 -0.174 0.000 2.206 133 c HA 0.396 4.966 4.570 0.000 0.000 0.324 133 c C -0.010 174.074 174.090 -0.010 0.000 1.120 133 c CA -0.379 55.891 56.329 -0.098 0.000 1.546 133 c CB -0.658 41.729 42.510 -0.204 0.000 2.023 133 c HN 0.598 nan 8.230 nan 0.000 0.448 134 D N 1.808 122.254 120.400 0.076 0.000 2.185 134 D HA 0.294 4.934 4.640 0.000 0.000 0.247 134 D C 0.848 177.270 176.300 0.204 0.000 1.027 134 D CA -0.265 53.806 54.000 0.119 0.000 0.861 134 D CB 1.103 41.893 40.800 -0.017 0.000 1.202 134 D HN 0.518 nan 8.370 nan 0.000 0.453 135 N N 2.110 120.908 118.700 0.164 0.000 2.356 135 N HA 0.111 4.852 4.740 0.000 0.000 0.178 135 N C 0.956 176.435 175.510 -0.051 0.000 1.075 135 N CA 0.472 53.459 53.050 -0.105 0.000 0.889 135 N CB 0.070 38.327 38.487 -0.384 0.000 0.999 135 N HN 0.579 nan 8.380 nan 0.000 0.464 136 G N -0.288 108.520 108.800 0.013 0.000 2.326 136 G HA2 -0.049 3.911 3.960 0.000 0.000 0.286 136 G HA3 -0.049 3.911 3.960 0.000 0.000 0.286 136 G C 0.500 175.415 174.900 0.025 0.000 1.096 136 G CA 0.289 45.398 45.100 0.015 0.000 1.003 136 G HN 0.848 nan 8.290 nan 0.000 0.503 137 A N -0.988 121.873 122.820 0.068 0.000 2.456 137 A HA 0.748 5.068 4.320 0.000 0.000 0.237 137 A C 1.368 179.028 177.584 0.126 0.000 1.217 137 A CA 1.317 53.397 52.037 0.070 0.000 0.962 137 A CB 0.496 19.529 19.000 0.056 0.000 1.079 137 A HN 1.845 nan 8.150 nan 0.000 0.536 138 G N -2.527 106.387 108.800 0.190 0.000 2.434 138 G HA2 0.380 4.340 3.960 0.000 0.000 0.330 138 G HA3 0.380 4.340 3.960 0.000 0.000 0.330 138 G C 0.337 175.370 174.900 0.221 0.000 1.155 138 G CA -0.372 44.884 45.100 0.260 0.000 0.917 138 G HN 0.179 nan 8.290 nan 0.000 0.493 139 Y N 0.019 120.389 120.300 0.116 0.000 2.207 139 Y HA -0.119 4.431 4.550 0.000 0.000 0.287 139 Y C 1.287 177.209 175.900 0.036 0.000 1.156 139 Y CA 0.797 58.939 58.100 0.071 0.000 1.182 139 Y CB 0.089 38.562 38.460 0.022 0.000 0.979 139 Y HN 0.382 nan 8.280 nan 0.000 0.521 140 c N 0.751 119.440 118.600 0.148 0.000 2.435 140 c HA 0.488 5.058 4.570 0.000 0.000 0.333 140 c C 0.242 174.464 174.090 0.220 0.000 1.202 140 c CA -0.986 55.379 56.329 0.060 0.000 1.830 140 c CB 0.787 43.139 42.510 -0.263 0.000 2.326 140 c HN 0.508 nan 8.230 nan 0.000 0.507 141 S N 2.097 117.904 115.700 0.179 0.000 2.573 141 S HA 0.024 4.494 4.470 0.000 0.000 0.277 141 S C -0.075 174.535 174.600 0.016 0.000 1.346 141 S CA -0.218 58.032 58.200 0.083 0.000 1.034 141 S CB 0.170 63.394 63.200 0.040 0.000 0.879 141 S HN 0.776 nan 8.310 nan 0.000 0.528 142 N N 2.517 121.041 118.700 -0.294 0.000 2.414 142 N HA 0.149 4.889 4.740 0.000 0.000 0.268 142 N C -1.681 173.560 175.510 -0.448 0.000 1.286 142 N CA -1.853 50.791 53.050 -0.678 0.000 0.896 142 N CB 0.435 38.584 38.487 -0.563 0.000 1.093 142 N HN 0.325 nan 8.380 nan 0.000 0.480 143 P HA -0.000 nan 4.420 nan 0.000 0.220 143 P C 0.305 177.439 177.300 -0.275 0.000 1.144 143 P CA 1.121 63.903 63.100 -0.531 0.000 0.800 143 P CB -0.249 30.991 31.700 -0.768 0.000 0.772 144 G N -0.312 108.338 108.800 -0.250 0.000 2.855 144 G HA2 -0.216 3.744 3.960 0.000 0.000 0.352 144 G HA3 -0.216 3.744 3.960 0.000 0.000 0.352 144 G C -0.632 174.224 174.900 -0.074 0.000 1.415 144 G CA -0.578 44.411 45.100 -0.185 0.000 0.871 144 G HN 0.187 nan 8.290 nan 0.000 0.543 145 I N 1.725 122.241 120.570 -0.090 0.000 2.464 145 I HA 0.266 4.436 4.170 0.000 0.000 0.277 145 I C -2.199 173.888 176.117 -0.050 0.000 1.040 145 I CA -1.828 59.468 61.300 -0.006 0.000 1.153 145 I CB 1.987 39.950 38.000 -0.063 0.000 1.274 145 I HN 0.178 nan 8.210 nan 0.000 0.469 146 P HA 0.045 nan 4.420 nan 0.000 0.265 146 P C 0.089 177.322 177.300 -0.112 0.000 1.187 146 P CA 0.099 63.127 63.100 -0.119 0.000 0.766 146 P CB 0.494 32.110 31.700 -0.140 0.000 0.820 147 I N 2.292 122.769 120.570 -0.154 0.000 2.752 147 I HA -0.016 4.154 4.170 0.000 0.000 0.286 147 I C 1.668 177.769 176.117 -0.027 0.000 1.180 147 I CA 1.374 62.575 61.300 -0.164 0.000 1.404 147 I CB -0.859 36.960 38.000 -0.303 0.000 1.389 147 I HN 0.771 nan 8.210 nan 0.000 0.549 148 G N 3.792 112.583 108.800 -0.016 0.000 2.238 148 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 148 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 148 G C 0.329 175.312 174.900 0.139 0.000 0.996 148 G CA 0.112 45.289 45.100 0.129 0.000 0.632 148 G HN 0.727 nan 8.290 nan 0.000 0.503 149 T N -2.197 112.360 114.554 0.006 0.000 2.884 149 T HA 0.717 5.067 4.350 0.000 0.000 0.277 149 T C 0.031 174.695 174.700 -0.059 0.000 0.976 149 T CA 0.093 62.243 62.100 0.082 0.000 0.956 149 T CB 2.278 71.230 68.868 0.139 0.000 1.113 149 T HN 0.763 nan 8.240 nan 0.000 0.554 150 R N 0.403 120.969 120.500 0.110 0.000 2.569 150 R HA 0.344 4.684 4.340 0.000 0.000 0.293 150 R C -0.933 175.356 176.300 -0.018 0.000 1.186 150 R CA -0.608 55.521 56.100 0.048 0.000 0.956 150 R CB 1.053 31.495 30.300 0.236 0.000 1.196 150 R HN 0.791 nan 8.270 nan 0.000 0.444 151 K N 3.367 123.655 120.400 -0.187 0.000 2.249 151 K HA 0.267 4.587 4.320 0.000 0.000 0.280 151 K C -1.025 175.426 176.600 -0.248 0.000 1.033 151 K CA -0.372 55.625 56.287 -0.482 0.000 0.946 151 K CB 1.278 33.463 32.500 -0.526 0.000 1.005 151 K HN 0.294 nan 8.250 nan 0.000 0.469 152 V N 3.128 122.894 119.914 -0.247 0.000 2.305 152 V HA 0.559 4.679 4.120 0.000 0.000 0.275 152 V C -0.197 175.825 176.094 -0.120 0.000 1.020 152 V CA -0.302 61.932 62.300 -0.110 0.000 0.811 152 V CB 0.857 32.676 31.823 -0.008 0.000 1.031 152 V HN 0.998 nan 8.190 nan 0.000 0.439 153 G N 2.875 111.606 108.800 -0.115 0.000 2.414 153 G HA2 0.120 4.080 3.960 0.000 0.000 0.213 153 G HA3 0.120 4.080 3.960 0.000 0.000 0.213 153 G C 0.175 174.963 174.900 -0.186 0.000 1.444 153 G CA 0.007 45.038 45.100 -0.114 0.000 1.076 153 G HN 0.791 nan 8.290 nan 0.000 0.638 154 S N 0.900 116.452 115.700 -0.246 0.000 2.486 154 S HA 0.142 4.612 4.470 0.000 0.000 0.220 154 S C 0.818 174.895 174.600 -0.871 0.000 1.011 154 S CA 0.270 58.213 58.200 -0.429 0.000 0.921 154 S CB 0.138 63.212 63.200 -0.210 0.000 0.785 154 S HN 0.669 nan 8.310 nan 0.000 0.517 155 Q N 0.923 120.425 119.800 -0.497 0.000 2.286 155 Q HA 0.192 4.532 4.340 0.000 0.000 0.267 155 Q C -1.013 174.814 176.000 -0.287 0.000 1.028 155 Q CA 0.002 55.588 55.803 -0.361 0.000 0.901 155 Q CB 0.312 28.977 28.738 -0.121 0.000 1.183 155 Q HN 0.583 nan 8.270 nan 0.000 0.392 156 Y N 1.103 121.537 120.300 0.224 0.000 2.734 156 Y HA 0.244 4.794 4.550 0.000 0.000 0.278 156 Y C 0.367 176.383 175.900 0.193 0.000 1.108 156 Y CA -0.521 57.798 58.100 0.364 0.000 1.211 156 Y CB 0.176 38.888 38.460 0.421 0.000 1.182 156 Y HN 0.391 nan 8.280 nan 0.000 0.547 157 R N 0.067 120.677 120.500 0.183 0.000 2.828 157 R HA 0.251 4.591 4.340 0.000 0.000 0.270 157 R C -0.367 175.918 176.300 -0.024 0.000 1.244 157 R CA -0.929 55.227 56.100 0.095 0.000 1.143 157 R CB 0.189 30.509 30.300 0.034 0.000 1.128 157 R HN 0.091 nan 8.270 nan 0.000 0.587 158 L N 1.402 122.534 121.223 -0.153 0.000 2.371 158 L HA 0.043 4.383 4.340 0.000 0.000 0.272 158 L C 0.262 177.013 176.870 -0.199 0.000 1.124 158 L CA 0.797 55.446 54.840 -0.318 0.000 0.816 158 L CB 0.173 41.883 42.059 -0.581 0.000 1.129 158 L HN 0.763 nan 8.230 nan 0.000 0.448 159 E N -0.138 119.946 120.200 -0.194 0.000 3.975 159 E HA -0.249 4.101 4.350 0.000 0.000 0.342 159 E C -0.353 176.215 176.600 -0.054 0.000 0.677 159 E CA 1.218 57.551 56.400 -0.113 0.000 1.238 159 E CB -1.043 28.602 29.700 -0.093 0.000 1.665 159 E HN 0.762 nan 8.360 nan 0.000 0.429 160 D N 0.266 120.640 120.400 -0.045 0.000 2.360 160 D HA 0.370 5.010 4.640 0.000 0.000 0.242 160 D C 0.013 176.419 176.300 0.177 0.000 1.184 160 D CA 0.357 54.392 54.000 0.058 0.000 0.930 160 D CB 0.958 41.816 40.800 0.097 0.000 1.161 160 D HN -0.064 nan 8.370 nan 0.000 0.447 161 S N -0.899 114.944 115.700 0.239 0.000 2.627 161 S HA 0.733 5.203 4.470 0.000 0.000 0.283 161 S C -0.916 173.827 174.600 0.238 0.000 1.127 161 S CA -0.879 57.514 58.200 0.321 0.000 0.863 161 S CB 1.914 65.221 63.200 0.178 0.000 1.121 161 S HN 0.343 nan 8.310 nan 0.000 0.479 162 V N -0.546 119.469 119.914 0.169 0.000 2.841 162 V HA 0.943 5.063 4.120 0.000 0.000 0.310 162 V C -0.406 175.639 176.094 -0.082 0.000 1.090 162 V CA -0.811 61.463 62.300 -0.042 0.000 0.930 162 V CB 1.273 32.965 31.823 -0.219 0.000 1.014 162 V HN 0.981 nan 8.190 nan 0.000 0.425 163 T N 0.907 115.354 114.554 -0.179 0.000 2.918 163 T HA 0.814 5.164 4.350 0.000 0.000 0.286 163 T C -1.128 173.342 174.700 -0.383 0.000 1.026 163 T CA -0.506 61.502 62.100 -0.154 0.000 1.031 163 T CB 1.622 70.467 68.868 -0.037 0.000 1.046 163 T HN 0.679 nan 8.240 nan 0.000 0.479 164 Y N -0.193 119.930 120.300 -0.295 0.000 2.485 164 Y HA 0.617 5.167 4.550 0.000 0.000 0.345 164 Y C -0.073 175.508 175.900 -0.532 0.000 0.998 164 Y CA -0.862 57.083 58.100 -0.257 0.000 1.059 164 Y CB 2.260 40.620 38.460 -0.166 0.000 1.234 164 Y HN 0.851 nan 8.280 nan 0.000 0.461 165 H N -0.209 118.963 119.070 0.170 0.000 2.877 165 H HA 0.472 5.028 4.556 0.000 0.000 0.347 165 H C -1.084 174.343 175.328 0.166 0.000 1.042 165 H CA -0.777 55.350 56.048 0.131 0.000 1.276 165 H CB 1.012 30.829 29.762 0.093 0.000 1.681 165 H HN 0.677 nan 8.280 nan 0.000 0.521 166 c N 1.658 120.392 118.600 0.223 0.000 2.422 166 c HA 0.441 5.011 4.570 0.000 0.000 0.364 166 c C 0.914 175.102 174.090 0.163 0.000 1.251 166 c CA -0.520 55.927 56.329 0.197 0.000 2.441 166 c CB 0.825 43.401 42.510 0.110 0.000 2.393 166 c HN 0.866 nan 8.230 nan 0.000 0.606 167 S N 0.243 116.022 115.700 0.132 0.000 2.606 167 S HA 0.175 4.645 4.470 0.000 0.000 0.257 167 S C 0.220 174.827 174.600 0.012 0.000 1.327 167 S CA -0.381 57.815 58.200 -0.007 0.000 0.984 167 S CB 0.193 63.379 63.200 -0.023 0.000 0.941 167 S HN 0.572 nan 8.310 nan 0.000 0.576 168 R N 0.695 121.187 120.500 -0.013 0.000 2.370 168 R HA 0.376 4.716 4.340 0.000 0.000 0.309 168 R C 1.165 177.472 176.300 0.012 0.000 1.059 168 R CA 0.647 56.748 56.100 0.002 0.000 0.981 168 R CB -0.142 30.154 30.300 -0.006 0.000 0.972 168 R HN 1.002 nan 8.270 nan 0.000 0.437 169 G N 2.053 110.860 108.800 0.012 0.000 2.179 169 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 169 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 169 G C -0.442 174.459 174.900 0.000 0.000 0.990 169 G CA -0.592 44.513 45.100 0.007 0.000 0.646 169 G HN 0.357 nan 8.290 nan 0.000 0.517 170 L N 1.174 122.402 121.223 0.008 0.000 2.346 170 L HA 0.728 5.068 4.340 0.000 0.000 0.274 170 L C 0.391 177.262 176.870 0.001 0.000 1.007 170 L CA -0.491 54.348 54.840 -0.002 0.000 0.818 170 L CB 2.067 44.138 42.059 0.019 0.000 1.284 170 L HN 0.045 nan 8.230 nan 0.000 0.424 171 T N 3.229 117.773 114.554 -0.018 0.000 2.744 171 T HA 0.397 4.747 4.350 0.000 0.000 0.291 171 T C -0.367 174.321 174.700 -0.019 0.000 0.957 171 T CA -0.346 61.746 62.100 -0.014 0.000 1.002 171 T CB 0.709 69.565 68.868 -0.021 0.000 0.919 171 T HN 0.320 nan 8.240 nan 0.000 0.468 172 L N 4.732 125.949 121.223 -0.010 0.000 2.418 172 L HA 0.355 4.695 4.340 0.000 0.000 0.274 172 L C 0.443 177.285 176.870 -0.048 0.000 1.135 172 L CA 0.190 55.014 54.840 -0.025 0.000 0.870 172 L CB 0.002 42.052 42.059 -0.016 0.000 1.154 172 L HN 0.536 nan 8.230 nan 0.000 0.462 173 R N 4.327 124.785 120.500 -0.070 0.000 2.460 173 R HA 0.698 5.038 4.340 0.000 0.000 0.303 173 R C 0.273 176.507 176.300 -0.110 0.000 0.968 173 R CA 0.291 56.340 56.100 -0.085 0.000 0.889 173 R CB 0.883 31.127 30.300 -0.094 0.000 1.123 173 R HN 0.986 nan 8.270 nan 0.000 0.455 174 G N 1.779 110.518 108.800 -0.102 0.000 2.464 174 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 174 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 174 G C -1.159 173.682 174.900 -0.100 0.000 1.186 174 G CA -0.310 44.724 45.100 -0.111 0.000 1.010 174 G HN 0.620 nan 8.290 nan 0.000 0.585 175 S N 0.712 116.341 115.700 -0.117 0.000 2.525 175 S HA 0.493 4.963 4.470 0.000 0.000 0.290 175 S C 1.063 175.613 174.600 -0.082 0.000 1.152 175 S CA 0.518 58.670 58.200 -0.081 0.000 1.072 175 S CB 1.654 64.823 63.200 -0.052 0.000 1.027 175 S HN 0.994 nan 8.310 nan 0.000 0.500 176 Q N 1.764 121.545 119.800 -0.031 0.000 2.384 176 Q HA 0.195 4.535 4.340 0.000 0.000 0.207 176 Q C 0.491 176.528 176.000 0.062 0.000 0.904 176 Q CA 0.442 56.239 55.803 -0.009 0.000 0.933 176 Q CB 0.331 29.034 28.738 -0.058 0.000 1.077 176 Q HN 0.531 nan 8.270 nan 0.000 0.522 177 R N 0.210 120.751 120.500 0.067 0.000 2.538 177 R HA 0.517 4.857 4.340 0.000 0.000 0.292 177 R C -1.449 174.929 176.300 0.131 0.000 1.008 177 R CA -0.619 55.541 56.100 0.100 0.000 0.896 177 R CB 1.303 31.641 30.300 0.064 0.000 1.187 177 R HN 0.098 nan 8.270 nan 0.000 0.440 178 R N 2.446 123.067 120.500 0.202 0.000 2.513 178 R HA 0.363 4.703 4.340 0.000 0.000 0.301 178 R C -1.080 175.514 176.300 0.489 0.000 0.968 178 R CA -0.894 55.380 56.100 0.290 0.000 0.872 178 R CB 2.655 33.113 30.300 0.264 0.000 1.177 178 R HN 0.514 nan 8.270 nan 0.000 0.444 179 T N 1.437 116.227 114.554 0.393 0.000 2.794 179 T HA 0.088 4.438 4.350 0.000 0.000 0.280 179 T C -0.191 174.542 174.700 0.056 0.000 0.987 179 T CA -0.426 61.840 62.100 0.277 0.000 0.993 179 T CB 1.268 70.203 68.868 0.111 0.000 0.939 179 T HN 0.621 nan 8.240 nan 0.000 0.449 180 c N 5.929 124.273 118.600 -0.426 0.000 2.663 180 c HA 0.158 4.728 4.570 0.000 0.000 0.379 180 c C 0.809 174.665 174.090 -0.390 0.000 1.255 180 c CA -0.277 55.487 56.329 -0.943 0.000 1.503 180 c CB -2.012 39.746 42.510 -1.254 0.000 2.187 180 c HN 0.773 nan 8.230 nan 0.000 0.580 181 Q N 2.628 122.281 119.800 -0.244 0.000 2.368 181 Q HA 0.190 4.530 4.340 0.000 0.000 0.237 181 Q C 0.162 176.122 176.000 -0.067 0.000 0.987 181 Q CA -0.101 55.632 55.803 -0.117 0.000 0.896 181 Q CB 0.879 29.586 28.738 -0.051 0.000 1.241 181 Q HN 0.780 nan 8.270 nan 0.000 0.485 182 E N -0.169 120.000 120.200 -0.052 0.000 2.417 182 E HA 0.111 4.461 4.350 0.000 0.000 0.261 182 E C 0.096 176.751 176.600 0.093 0.000 1.000 182 E CA 0.752 57.155 56.400 0.006 0.000 0.919 182 E CB -0.080 29.593 29.700 -0.045 0.000 0.955 182 E HN 0.808 nan 8.360 nan 0.000 0.455 183 G N 2.865 111.803 108.800 0.231 0.000 2.148 183 G HA2 -0.135 3.825 3.960 0.000 0.000 0.157 183 G HA3 -0.135 3.825 3.960 0.000 0.000 0.157 183 G C 0.551 175.451 174.900 0.001 0.000 1.012 183 G CA -0.143 45.009 45.100 0.087 0.000 0.677 183 G HN 1.313 nan 8.290 nan 0.000 0.506 184 G N -0.707 108.100 108.800 0.011 0.000 2.392 184 G HA2 0.370 4.330 3.960 0.000 0.000 0.290 184 G HA3 0.370 4.330 3.960 0.000 0.000 0.290 184 G C 0.277 175.125 174.900 -0.087 0.000 1.032 184 G CA 1.262 46.268 45.100 -0.157 0.000 1.269 184 G HN 2.532 nan 8.290 nan 0.000 0.511 185 S N -0.969 114.669 115.700 -0.104 0.000 2.570 185 S HA 0.562 5.032 4.470 0.000 0.000 0.286 185 S C -0.754 173.790 174.600 -0.094 0.000 1.143 185 S CA -1.094 57.077 58.200 -0.048 0.000 0.921 185 S CB 0.776 63.971 63.200 -0.007 0.000 1.108 185 S HN 0.819 nan 8.310 nan 0.000 0.456 186 W N 3.115 124.433 121.300 0.031 0.000 2.315 186 W HA 0.563 5.223 4.660 0.000 0.000 0.316 186 W C 1.197 177.729 176.519 0.021 0.000 1.211 186 W CA -0.002 57.366 57.345 0.040 0.000 1.201 186 W CB 1.229 30.714 29.460 0.042 0.000 1.184 186 W HN 0.887 nan 8.180 nan 0.000 0.544 187 S N 2.692 118.538 115.700 0.244 0.000 2.589 187 S HA 0.696 5.166 4.470 0.000 0.000 0.265 187 S C 0.811 175.490 174.600 0.130 0.000 1.342 187 S CA 0.047 58.331 58.200 0.140 0.000 1.005 187 S CB 0.670 63.931 63.200 0.102 0.000 0.909 187 S HN 1.413 nan 8.310 nan 0.000 0.555 188 G N 0.205 109.043 108.800 0.063 0.000 2.645 188 G HA2 -0.078 3.882 3.960 0.000 0.000 0.246 188 G HA3 -0.078 3.882 3.960 0.000 0.000 0.246 188 G C -0.060 174.848 174.900 0.013 0.000 1.322 188 G CA 0.040 45.154 45.100 0.025 0.000 0.898 188 G HN 1.521 nan 8.290 nan 0.000 0.573 189 T N -0.938 113.599 114.554 -0.029 0.000 2.926 189 T HA 0.556 4.906 4.350 0.000 0.000 0.289 189 T C 0.036 174.659 174.700 -0.128 0.000 1.054 189 T CA 0.518 62.585 62.100 -0.055 0.000 1.015 189 T CB 1.585 70.424 68.868 -0.047 0.000 1.167 189 T HN 0.834 nan 8.240 nan 0.000 0.526 190 E N 2.427 122.535 120.200 -0.154 0.000 2.366 190 E HA 0.242 4.592 4.350 0.000 0.000 0.266 190 E C -2.129 174.293 176.600 -0.296 0.000 1.015 190 E CA -1.501 54.747 56.400 -0.253 0.000 0.906 190 E CB 0.538 30.115 29.700 -0.204 0.000 0.979 190 E HN 0.296 nan 8.360 nan 0.000 0.443 191 P HA 0.018 nan 4.420 nan 0.000 0.271 191 P C -1.412 175.728 177.300 -0.266 0.000 1.244 191 P CA -0.118 62.740 63.100 -0.405 0.000 0.793 191 P CB 0.669 31.961 31.700 -0.681 0.000 0.984 192 S N -1.461 114.133 115.700 -0.177 0.000 2.481 192 S HA 0.181 4.651 4.470 0.000 0.000 0.262 192 S C -0.882 173.673 174.600 -0.074 0.000 1.061 192 S CA -0.854 57.277 58.200 -0.115 0.000 1.039 192 S CB -0.918 62.216 63.200 -0.111 0.000 1.170 192 S HN 0.405 nan 8.310 nan 0.000 0.437 193 c N 5.039 123.619 118.600 -0.034 0.000 2.657 193 c HA 0.391 4.961 4.570 0.000 0.000 0.404 193 c C 0.660 174.728 174.090 -0.037 0.000 1.369 193 c CA -0.129 56.194 56.329 -0.009 0.000 1.665 193 c CB -0.998 41.542 42.510 0.049 0.000 2.453 193 c HN 0.749 nan 8.230 nan 0.000 0.599 194 Q N 2.319 122.081 119.800 -0.064 0.000 2.248 194 Q HA 0.404 4.744 4.340 0.000 0.000 0.263 194 Q C 0.058 175.972 176.000 -0.143 0.000 1.007 194 Q CA -0.396 55.338 55.803 -0.115 0.000 0.877 194 Q CB 1.991 30.666 28.738 -0.105 0.000 1.315 194 Q HN 0.708 nan 8.270 nan 0.000 0.454 195 D N 0.132 120.372 120.400 -0.267 0.000 2.871 195 D HA 0.213 4.853 4.640 0.000 0.000 0.223 195 D C -0.021 176.125 176.300 -0.257 0.000 1.225 195 D CA 0.143 53.953 54.000 -0.316 0.000 1.188 195 D CB 0.683 41.115 40.800 -0.614 0.000 1.105 195 D HN 0.459 nan 8.370 nan 0.000 0.444 196 S N -0.562 114.956 115.700 -0.304 0.000 2.901 196 S HA 0.328 4.798 4.470 0.000 0.000 0.248 196 S C -0.233 174.478 174.600 0.185 0.000 1.021 196 S CA -0.620 57.568 58.200 -0.020 0.000 1.090 196 S CB -0.651 62.597 63.200 0.080 0.000 1.039 196 S HN 0.452 nan 8.310 nan 0.000 0.514 197 F N -2.728 117.280 119.950 0.096 0.000 3.301 197 F HA 0.436 4.963 4.527 0.000 0.000 0.381 197 F C 0.904 176.802 175.800 0.164 0.000 1.186 197 F CA -0.711 57.402 58.000 0.189 0.000 0.840 197 F CB -0.699 38.438 39.000 0.228 0.000 1.710 197 F HN 0.117 nan 8.300 nan 0.000 0.489 198 M N 1.142 120.556 119.600 -0.310 0.000 2.200 198 M HA 0.028 4.508 4.480 0.000 0.000 0.265 198 M C 0.998 176.941 176.300 -0.595 0.000 1.066 198 M CA 1.678 56.722 55.300 -0.427 0.000 1.127 198 M CB -0.604 31.746 32.600 -0.416 0.000 1.379 198 M HN 0.426 nan 8.290 nan 0.000 0.420 199 Y N -0.516 119.789 120.300 0.008 0.000 3.187 199 Y HA -0.333 4.217 4.550 0.000 0.000 0.359 199 Y C -0.883 175.050 175.900 0.054 0.000 1.065 199 Y CA -0.146 57.986 58.100 0.053 0.000 1.245 199 Y CB -1.453 37.059 38.460 0.086 0.000 0.965 199 Y HN 0.237 nan 8.280 nan 0.000 0.597 200 D N -0.066 120.602 120.400 0.448 0.000 2.890 200 D HA 0.313 4.953 4.640 0.000 0.000 0.233 200 D C -0.652 175.879 176.300 0.386 0.000 1.306 200 D CA 0.093 54.270 54.000 0.296 0.000 0.929 200 D CB 1.683 42.628 40.800 0.242 0.000 1.512 200 D HN 0.871 nan 8.370 nan 0.000 0.568 201 T N -0.280 114.464 114.554 0.318 0.000 2.937 201 T HA 0.112 4.462 4.350 0.000 0.000 0.316 201 T C -1.655 173.145 174.700 0.167 0.000 1.079 201 T CA -0.771 61.476 62.100 0.245 0.000 1.131 201 T CB 1.031 70.009 68.868 0.183 0.000 1.000 201 T HN -0.004 nan 8.240 nan 0.000 0.549 202 P HA -0.164 nan 4.420 nan 0.000 0.217 202 P C 1.653 178.992 177.300 0.065 0.000 1.148 202 P CA 1.229 64.380 63.100 0.085 0.000 0.834 202 P CB 0.057 31.797 31.700 0.066 0.000 0.783 203 Q N -0.105 119.737 119.800 0.070 0.000 2.049 203 Q HA -0.173 4.167 4.340 0.000 0.000 0.198 203 Q C 2.058 178.102 176.000 0.073 0.000 0.971 203 Q CA 1.327 57.163 55.803 0.056 0.000 0.833 203 Q CB -0.312 28.457 28.738 0.052 0.000 0.896 203 Q HN 0.240 nan 8.270 nan 0.000 0.434 204 E N -0.407 119.852 120.200 0.099 0.000 2.130 204 E HA -0.200 4.150 4.350 0.000 0.000 0.196 204 E C 2.023 178.733 176.600 0.184 0.000 0.998 204 E CA 1.560 58.033 56.400 0.121 0.000 0.806 204 E CB 0.073 29.843 29.700 0.118 0.000 0.738 204 E HN 0.225 nan 8.360 nan 0.000 0.459 205 V N 1.108 121.138 119.914 0.194 0.000 2.283 205 V HA -0.224 3.896 4.120 0.000 0.000 0.243 205 V C 2.319 178.436 176.094 0.038 0.000 1.039 205 V CA 1.805 64.242 62.300 0.228 0.000 1.016 205 V CB -0.726 31.187 31.823 0.149 0.000 0.650 205 V HN 0.316 nan 8.190 nan 0.000 0.449 206 A N -0.319 122.475 122.820 -0.043 0.000 1.972 206 A HA -0.249 4.071 4.320 0.000 0.000 0.219 206 A C 2.155 179.746 177.584 0.012 0.000 1.169 206 A CA 2.124 54.097 52.037 -0.105 0.000 0.635 206 A CB -0.460 18.471 19.000 -0.115 0.000 0.810 206 A HN 0.548 nan 8.150 nan 0.000 0.446 207 E N -0.173 120.059 120.200 0.054 0.000 2.072 207 E HA 0.073 4.423 4.350 0.000 0.000 0.190 207 E C 1.951 178.605 176.600 0.090 0.000 0.982 207 E CA 1.281 57.717 56.400 0.060 0.000 0.803 207 E CB -0.321 29.411 29.700 0.054 0.000 0.755 207 E HN 0.475 nan 8.360 nan 0.000 0.453 208 A N -0.777 122.145 122.820 0.169 0.000 2.072 208 A HA 0.020 4.340 4.320 0.000 0.000 0.216 208 A C 1.906 179.665 177.584 0.292 0.000 1.156 208 A CA 0.470 52.636 52.037 0.215 0.000 0.701 208 A CB -0.552 18.610 19.000 0.270 0.000 0.816 208 A HN 0.390 nan 8.150 nan 0.000 0.458 209 F N 0.418 120.419 119.950 0.085 0.000 2.149 209 F HA 0.036 4.563 4.527 0.000 0.000 0.294 209 F C 1.797 177.524 175.800 -0.122 0.000 1.095 209 F CA 1.370 59.318 58.000 -0.087 0.000 1.276 209 F CB -0.142 38.550 39.000 -0.514 0.000 1.023 209 F HN 0.114 nan 8.300 nan 0.000 0.480 210 L N 0.002 121.201 121.223 -0.041 0.000 2.056 210 L HA -0.181 4.159 4.340 0.000 0.000 0.207 210 L C 2.654 179.451 176.870 -0.122 0.000 1.078 210 L CA 1.407 56.181 54.840 -0.109 0.000 0.749 210 L CB -1.050 41.013 42.059 0.007 0.000 0.901 210 L HN 0.280 nan 8.230 nan 0.000 0.433 211 S N -2.081 113.584 115.700 -0.058 0.000 2.469 211 S HA -0.163 4.307 4.470 0.000 0.000 0.238 211 S C 1.942 176.498 174.600 -0.073 0.000 0.998 211 S CA 1.333 59.502 58.200 -0.053 0.000 0.957 211 S CB -0.144 63.044 63.200 -0.021 0.000 0.764 211 S HN 0.360 nan 8.310 nan 0.000 0.514 212 S N -0.477 115.163 115.700 -0.100 0.000 2.506 212 S HA 0.317 4.787 4.470 0.000 0.000 0.219 212 S C 1.265 175.826 174.600 -0.065 0.000 1.031 212 S CA -0.016 58.137 58.200 -0.078 0.000 0.911 212 S CB -0.145 62.997 63.200 -0.098 0.000 0.812 212 S HN 0.415 nan 8.310 nan 0.000 0.497 213 L N 1.966 123.046 121.223 -0.238 0.000 2.189 213 L HA 0.202 4.542 4.340 0.000 0.000 0.199 213 L C 2.587 179.340 176.870 -0.195 0.000 1.074 213 L CA 2.467 57.143 54.840 -0.273 0.000 0.783 213 L CB -1.268 40.385 42.059 -0.677 0.000 0.955 213 L HN 0.452 nan 8.230 nan 0.000 0.460 214 T N -2.990 111.432 114.554 -0.220 0.000 2.737 214 T HA -0.250 4.100 4.350 0.000 0.000 0.269 214 T C 1.834 176.421 174.700 -0.188 0.000 1.040 214 T CA 1.529 63.480 62.100 -0.247 0.000 1.142 214 T CB -0.646 68.084 68.868 -0.229 0.000 0.861 214 T HN 0.417 nan 8.240 nan 0.000 0.456 215 E N 1.289 121.408 120.200 -0.135 0.000 2.150 215 E HA -0.103 4.247 4.350 0.000 0.000 0.193 215 E C 1.891 178.432 176.600 -0.098 0.000 0.985 215 E CA 1.411 57.747 56.400 -0.107 0.000 0.814 215 E CB -0.573 29.076 29.700 -0.084 0.000 0.752 215 E HN 0.638 nan 8.360 nan 0.000 0.466 216 T N 0.540 115.044 114.554 -0.083 0.000 3.160 216 T HA 0.117 4.467 4.350 0.000 0.000 0.257 216 T C 1.752 176.398 174.700 -0.090 0.000 1.147 216 T CA 0.273 62.332 62.100 -0.068 0.000 1.064 216 T CB 0.126 68.993 68.868 -0.001 0.000 0.949 216 T HN 0.170 nan 8.240 nan 0.000 0.526 217 I N 0.134 120.630 120.570 -0.122 0.000 3.172 217 I HA 0.100 4.270 4.170 0.000 0.000 0.278 217 I C 2.296 178.335 176.117 -0.130 0.000 1.174 217 I CA 0.394 61.612 61.300 -0.138 0.000 1.445 217 I CB 0.010 37.884 38.000 -0.210 0.000 1.175 217 I HN 0.156 nan 8.210 nan 0.000 0.447 218 E N 1.537 121.656 120.200 -0.136 0.000 2.085 218 E HA -0.179 4.171 4.350 0.000 0.000 0.194 218 E C 2.244 178.798 176.600 -0.077 0.000 0.994 218 E CA 1.458 57.794 56.400 -0.106 0.000 0.801 218 E CB -0.311 29.328 29.700 -0.102 0.000 0.743 218 E HN 0.558 nan 8.360 nan 0.000 0.453 219 G N 0.791 109.542 108.800 -0.083 0.000 2.443 219 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 219 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 219 G C 1.710 176.565 174.900 -0.075 0.000 1.131 219 G CA 0.396 45.451 45.100 -0.074 0.000 0.775 219 G HN 0.106 nan 8.290 nan 0.000 0.547 220 V N 1.450 121.313 119.914 -0.084 0.000 2.407 220 V HA -0.097 4.023 4.120 0.000 0.000 0.248 220 V C 1.041 177.111 176.094 -0.039 0.000 1.055 220 V CA 1.362 63.621 62.300 -0.068 0.000 1.049 220 V CB -0.397 31.383 31.823 -0.071 0.000 0.662 220 V HN 0.243 nan 8.190 nan 0.000 0.455 221 D N 1.599 121.977 120.400 -0.037 0.000 2.736 221 D HA 0.375 5.015 4.640 0.000 0.000 0.228 221 D C 0.301 176.599 176.300 -0.004 0.000 1.077 221 D CA 0.781 54.770 54.000 -0.017 0.000 1.096 221 D CB -0.196 40.593 40.800 -0.018 0.000 1.138 221 D HN 0.442 nan 8.370 nan 0.000 0.461 222 A N 2.037 124.857 122.820 0.000 0.000 3.200 222 A HA 0.292 4.612 4.320 0.000 0.000 0.274 222 A C 0.248 177.840 177.584 0.015 0.000 1.220 222 A CA -0.672 51.373 52.037 0.013 0.000 0.904 222 A CB -0.001 19.010 19.000 0.018 0.000 1.415 222 A HN 0.200 nan 8.150 nan 0.000 0.630 241 S N -0.034 115.680 115.700 0.023 0.000 2.595 241 S HA 0.803 5.273 4.470 0.000 0.000 0.281 241 S C 0.136 174.746 174.600 0.016 0.000 1.117 241 S CA 0.082 58.294 58.200 0.020 0.000 0.873 241 S CB 2.057 65.267 63.200 0.017 0.000 1.108 241 S HN 1.264 nan 8.310 nan 0.000 0.477 242 G N 1.092 109.896 108.800 0.007 0.000 2.237 242 G HA2 -0.177 3.783 3.960 0.000 0.000 0.153 242 G HA3 -0.177 3.783 3.960 0.000 0.000 0.153 242 G C 0.088 174.982 174.900 -0.010 0.000 1.039 242 G CA 0.030 45.130 45.100 0.000 0.000 0.719 242 G HN 1.133 nan 8.290 nan 0.000 0.491 243 S N -0.917 114.772 115.700 -0.019 0.000 2.506 243 S HA 0.706 5.176 4.470 0.000 0.000 0.245 243 S C 0.206 174.774 174.600 -0.054 0.000 1.088 243 S CA 0.200 58.387 58.200 -0.022 0.000 1.099 243 S CB 0.328 63.523 63.200 -0.007 0.000 0.805 243 S HN 1.092 nan 8.310 nan 0.000 0.461 244 M N 1.817 121.366 119.600 -0.086 0.000 2.365 244 M HA 0.482 4.962 4.480 0.000 0.000 0.287 244 M C -2.393 173.795 176.300 -0.187 0.000 1.154 244 M CA -0.350 54.871 55.300 -0.131 0.000 0.941 244 M CB 1.696 34.233 32.600 -0.105 0.000 1.704 244 M HN 0.044 nan 8.290 nan 0.000 0.479 245 N N 4.902 123.467 118.700 -0.224 0.000 2.400 245 N HA 0.622 5.362 4.740 0.000 0.000 0.288 245 N C -1.406 173.864 175.510 -0.400 0.000 1.024 245 N CA -0.208 52.634 53.050 -0.346 0.000 0.894 245 N CB 1.831 40.131 38.487 -0.312 0.000 1.173 245 N HN 0.628 nan 8.380 nan 0.000 0.487 246 I N 2.760 123.010 120.570 -0.533 0.000 2.390 246 I HA 0.244 4.414 4.170 0.000 0.000 0.283 246 I C -0.908 175.074 176.117 -0.225 0.000 1.016 246 I CA -0.732 60.388 61.300 -0.299 0.000 1.151 246 I CB 0.540 38.340 38.000 -0.334 0.000 1.293 246 I HN 0.338 nan 8.210 nan 0.000 0.458 247 Y N 6.469 126.882 120.300 0.189 0.000 2.404 247 Y HA 0.423 4.973 4.550 0.000 0.000 0.344 247 Y C 0.063 176.100 175.900 0.229 0.000 0.970 247 Y CA -0.671 57.554 58.100 0.208 0.000 1.180 247 Y CB 0.708 39.279 38.460 0.186 0.000 1.138 247 Y HN 0.371 nan 8.280 nan 0.000 0.510 248 L N 5.275 126.699 121.223 0.334 0.000 2.288 248 L HA 0.372 4.712 4.340 0.000 0.000 0.283 248 L C -0.664 176.360 176.870 0.257 0.000 1.072 248 L CA -0.705 54.295 54.840 0.267 0.000 0.862 248 L CB 0.326 42.497 42.059 0.187 0.000 1.245 248 L HN 0.377 nan 8.230 nan 0.000 0.432 249 V N 4.783 124.862 119.914 0.275 0.000 2.318 249 V HA 0.245 4.365 4.120 0.000 0.000 0.271 249 V C 0.038 176.315 176.094 0.304 0.000 1.030 249 V CA -0.403 62.074 62.300 0.295 0.000 0.844 249 V CB 1.600 33.580 31.823 0.262 0.000 1.015 249 V HN 0.402 nan 8.190 nan 0.000 0.460 250 L N 4.523 125.909 121.223 0.271 0.000 2.309 250 L HA 0.614 4.954 4.340 0.000 0.000 0.282 250 L C -0.210 176.765 176.870 0.174 0.000 1.036 250 L CA 0.037 54.986 54.840 0.182 0.000 0.806 250 L CB 1.558 43.642 42.059 0.041 0.000 1.220 250 L HN 0.608 nan 8.230 nan 0.000 0.429 251 D N 2.770 123.219 120.400 0.081 0.000 2.280 251 D HA 0.446 5.086 4.640 0.000 0.000 0.243 251 D C 0.520 176.827 176.300 0.013 0.000 1.129 251 D CA -0.031 53.800 54.000 -0.281 0.000 0.848 251 D CB 1.589 42.292 40.800 -0.161 0.000 1.107 251 D HN 0.687 nan 8.370 nan 0.000 0.471 252 G N 2.246 110.908 108.800 -0.231 0.000 4.044 252 G HA2 0.165 4.125 3.960 0.000 0.000 0.297 252 G HA3 0.165 4.125 3.960 0.000 0.000 0.297 252 G C 0.362 175.042 174.900 -0.367 0.000 1.101 252 G CA -0.201 44.751 45.100 -0.246 0.000 0.884 252 G HN 0.490 nan 8.290 nan 0.000 0.538 253 S N -0.942 114.617 115.700 -0.236 0.000 2.589 253 S HA 0.385 4.855 4.470 0.000 0.000 0.265 253 S C 1.552 176.129 174.600 -0.038 0.000 1.342 253 S CA 0.282 58.387 58.200 -0.158 0.000 1.005 253 S CB 1.665 64.808 63.200 -0.094 0.000 0.909 253 S HN 0.299 nan 8.310 nan 0.000 0.555 254 G N -0.071 108.715 108.800 -0.023 0.000 2.956 254 G HA2 0.076 4.036 3.960 0.000 0.000 0.207 254 G HA3 0.076 4.036 3.960 0.000 0.000 0.207 254 G C 0.932 175.901 174.900 0.114 0.000 1.162 254 G CA 0.251 45.400 45.100 0.081 0.000 0.796 254 G HN 0.962 nan 8.290 nan 0.000 0.527 255 S N -0.821 114.931 115.700 0.086 0.000 2.572 255 S HA 0.345 4.815 4.470 0.000 0.000 0.228 255 S C 1.496 176.149 174.600 0.089 0.000 0.963 255 S CA -0.354 57.890 58.200 0.073 0.000 0.939 255 S CB 0.024 63.254 63.200 0.050 0.000 0.804 255 S HN 0.297 nan 8.310 nan 0.000 0.480 256 I N 0.779 121.429 120.570 0.133 0.000 3.443 256 I HA 0.397 4.567 4.170 0.000 0.000 0.277 256 I C 1.184 177.326 176.117 0.041 0.000 1.169 256 I CA 0.522 61.897 61.300 0.123 0.000 1.419 256 I CB 0.072 38.195 38.000 0.205 0.000 1.331 256 I HN 0.515 nan 8.210 nan 0.000 0.458 257 G N 1.033 109.814 108.800 -0.031 0.000 2.719 257 G HA2 -0.057 3.903 3.960 0.000 0.000 0.686 257 G HA3 -0.057 3.903 3.960 0.000 0.000 0.686 257 G C 0.442 174.847 174.900 -0.824 0.000 1.201 257 G CA -0.303 44.572 45.100 -0.375 0.000 0.768 257 G HN 0.374 nan 8.290 nan 0.000 0.629 258 A N 1.053 123.158 122.820 -1.192 0.000 2.070 258 A HA 0.181 4.501 4.320 0.000 0.000 0.220 258 A C 2.751 180.182 177.584 -0.255 0.000 1.159 258 A CA 2.851 54.386 52.037 -0.837 0.000 0.656 258 A CB -0.490 18.217 19.000 -0.489 0.000 0.800 258 A HN 2.092 nan 8.150 nan 0.000 0.453 259 S N 0.021 115.598 115.700 -0.205 0.000 2.343 259 S HA -0.162 4.308 4.470 0.000 0.000 0.219 259 S C 1.403 175.971 174.600 -0.053 0.000 1.033 259 S CA 1.657 59.801 58.200 -0.094 0.000 1.014 259 S CB -0.400 62.755 63.200 -0.075 0.000 0.915 259 S HN 0.566 nan 8.310 nan 0.000 0.435 260 D N -0.238 120.138 120.400 -0.040 0.000 2.363 260 D HA 0.118 4.758 4.640 0.000 0.000 0.226 260 D C 1.101 177.419 176.300 0.031 0.000 1.020 260 D CA 0.200 54.197 54.000 -0.004 0.000 0.892 260 D CB -0.108 40.703 40.800 0.019 0.000 0.900 260 D HN 0.477 nan 8.370 nan 0.000 0.531 261 F N 1.213 121.097 119.950 -0.110 0.000 2.222 261 F HA -0.102 4.425 4.527 0.000 0.000 0.285 261 F C 2.451 178.218 175.800 -0.055 0.000 1.068 261 F CA 1.470 59.443 58.000 -0.045 0.000 1.265 261 F CB -0.540 38.484 39.000 0.039 0.000 1.087 261 F HN -0.076 nan 8.300 nan 0.000 0.511 262 T N -1.890 112.719 114.554 0.092 0.000 2.849 262 T HA -0.088 4.262 4.350 0.000 0.000 0.270 262 T C 2.171 176.782 174.700 -0.149 0.000 1.066 262 T CA 1.163 63.247 62.100 -0.027 0.000 1.130 262 T CB -1.436 67.459 68.868 0.046 0.000 0.864 262 T HN 0.342 nan 8.240 nan 0.000 0.481 263 G N 0.898 109.620 108.800 -0.131 0.000 2.421 263 G HA2 0.200 4.160 3.960 0.000 0.000 0.217 263 G HA3 0.200 4.160 3.960 0.000 0.000 0.217 263 G C 1.832 176.591 174.900 -0.236 0.000 1.143 263 G CA 0.520 45.533 45.100 -0.144 0.000 0.784 263 G HN 0.719 nan 8.290 nan 0.000 0.541 264 A N 0.780 123.424 122.820 -0.294 0.000 2.014 264 A HA 0.098 4.419 4.320 0.000 0.000 0.218 264 A C 2.272 179.586 177.584 -0.451 0.000 1.163 264 A CA 1.647 53.460 52.037 -0.373 0.000 0.652 264 A CB -0.208 18.585 19.000 -0.346 0.000 0.808 264 A HN 0.367 nan 8.150 nan 0.000 0.449 265 K N 0.177 120.295 120.400 -0.470 0.000 1.984 265 K HA -0.121 4.199 4.320 0.000 0.000 0.209 265 K C 1.958 178.344 176.600 -0.358 0.000 1.046 265 K CA 1.627 57.661 56.287 -0.422 0.000 0.934 265 K CB -0.237 32.032 32.500 -0.385 0.000 0.717 265 K HN 0.386 nan 8.250 nan 0.000 0.438 266 K N 0.646 120.866 120.400 -0.301 0.000 2.152 266 K HA -0.181 4.139 4.320 0.000 0.000 0.206 266 K C 2.371 178.734 176.600 -0.395 0.000 1.048 266 K CA 1.315 57.439 56.287 -0.272 0.000 0.933 266 K CB -0.431 31.966 32.500 -0.173 0.000 0.721 266 K HN 0.239 nan 8.250 nan 0.000 0.447 267 C N 1.114 120.122 119.300 -0.487 0.000 2.425 267 C HA -0.055 4.405 4.460 0.000 0.000 0.277 267 C C 2.356 176.757 174.990 -0.981 0.000 1.280 267 C CA 0.604 59.162 59.018 -0.767 0.000 1.744 267 C CB -0.852 26.420 27.740 -0.780 0.000 1.989 267 C HN 0.394 nan 8.230 nan 0.000 0.491 268 L N -0.032 120.781 121.223 -0.685 0.000 2.131 268 L HA -0.032 4.308 4.340 0.000 0.000 0.206 268 L C 2.616 179.262 176.870 -0.374 0.000 1.087 268 L CA 0.788 55.308 54.840 -0.534 0.000 0.767 268 L CB -0.575 41.262 42.059 -0.371 0.000 0.917 268 L HN 0.177 nan 8.230 nan 0.000 0.441 269 V N 0.548 120.256 119.914 -0.345 0.000 2.282 269 V HA -0.317 3.803 4.120 0.000 0.000 0.249 269 V C 2.153 178.111 176.094 -0.226 0.000 1.057 269 V CA 2.040 64.182 62.300 -0.263 0.000 1.032 269 V CB -0.709 30.976 31.823 -0.232 0.000 0.645 269 V HN 0.525 nan 8.190 nan 0.000 0.447 270 N N -0.110 118.426 118.700 -0.273 0.000 2.309 270 N HA -0.100 4.640 4.740 0.000 0.000 0.182 270 N C 1.584 177.052 175.510 -0.069 0.000 1.018 270 N CA 0.981 53.910 53.050 -0.203 0.000 0.876 270 N CB -0.473 37.811 38.487 -0.339 0.000 0.972 270 N HN 0.417 nan 8.380 nan 0.000 0.434 271 L N 1.236 122.427 121.223 -0.053 0.000 2.027 271 L HA 0.026 4.366 4.340 0.000 0.000 0.206 271 L C 1.851 178.790 176.870 0.114 0.000 1.074 271 L CA 1.283 56.218 54.840 0.158 0.000 0.745 271 L CB -0.537 41.611 42.059 0.148 0.000 0.898 271 L HN 0.060 nan 8.230 nan 0.000 0.433 272 I N -0.495 120.079 120.570 0.006 0.000 2.179 272 I HA -0.291 3.879 4.170 0.000 0.000 0.242 272 I C 2.522 178.648 176.117 0.015 0.000 1.088 272 I CA 1.763 63.055 61.300 -0.014 0.000 1.357 272 I CB -0.509 37.318 38.000 -0.290 0.000 1.051 272 I HN 0.428 nan 8.210 nan 0.000 0.409 273 E N 1.403 121.582 120.200 -0.035 0.000 2.153 273 E HA -0.290 4.060 4.350 0.000 0.000 0.194 273 E C 2.099 178.687 176.600 -0.020 0.000 0.988 273 E CA 1.193 57.575 56.400 -0.029 0.000 0.811 273 E CB 0.119 29.788 29.700 -0.051 0.000 0.746 273 E HN 0.167 nan 8.360 nan 0.000 0.466 274 K N 0.333 120.731 120.400 -0.003 0.000 2.057 274 K HA -0.097 4.223 4.320 0.000 0.000 0.207 274 K C 1.837 178.423 176.600 -0.022 0.000 1.049 274 K CA 1.514 57.782 56.287 -0.033 0.000 0.931 274 K CB -0.467 32.053 32.500 0.034 0.000 0.714 274 K HN 0.062 nan 8.250 nan 0.000 0.440 275 V N 0.979 120.983 119.914 0.149 0.000 2.626 275 V HA -0.118 4.002 4.120 0.000 0.000 0.252 275 V C 2.314 178.532 176.094 0.208 0.000 1.067 275 V CA 1.662 64.134 62.300 0.286 0.000 1.081 275 V CB -0.795 31.214 31.823 0.309 0.000 0.686 275 V HN 0.463 nan 8.190 nan 0.000 0.468 276 A N 0.825 123.712 122.820 0.113 0.000 2.014 276 A HA -0.143 4.177 4.320 0.000 0.000 0.218 276 A C 2.479 180.074 177.584 0.018 0.000 1.163 276 A CA 1.694 53.779 52.037 0.081 0.000 0.652 276 A CB -0.549 18.482 19.000 0.052 0.000 0.808 276 A HN 0.670 nan 8.150 nan 0.000 0.449 277 S N -1.539 114.108 115.700 -0.087 0.000 2.474 277 S HA -0.105 4.365 4.470 0.000 0.000 0.235 277 S C 1.290 175.788 174.600 -0.171 0.000 0.997 277 S CA 0.811 58.910 58.200 -0.170 0.000 0.949 277 S CB -0.699 62.332 63.200 -0.283 0.000 0.766 277 S HN 0.529 nan 8.310 nan 0.000 0.517 278 Y N 2.197 122.515 120.300 0.031 0.000 2.471 278 Y HA 0.387 4.937 4.550 0.000 0.000 0.286 278 Y C 1.906 177.821 175.900 0.025 0.000 1.188 278 Y CA -0.831 57.284 58.100 0.024 0.000 1.286 278 Y CB -0.763 37.709 38.460 0.020 0.000 1.072 278 Y HN 0.398 nan 8.280 nan 0.000 0.517 279 G N 0.412 109.293 108.800 0.135 0.000 2.203 279 G HA2 -0.265 3.695 3.960 0.000 0.000 0.263 279 G HA3 -0.265 3.695 3.960 0.000 0.000 0.263 279 G C -0.231 174.729 174.900 0.101 0.000 1.012 279 G CA 0.459 45.618 45.100 0.098 0.000 0.749 279 G HN 0.175 nan 8.290 nan 0.000 0.512 280 V N -0.301 119.689 119.914 0.128 0.000 2.513 280 V HA 0.547 4.667 4.120 0.000 0.000 0.299 280 V C 0.299 176.456 176.094 0.105 0.000 1.035 280 V CA -0.708 61.652 62.300 0.100 0.000 0.889 280 V CB 1.936 33.813 31.823 0.091 0.000 0.988 280 V HN 0.266 nan 8.190 nan 0.000 0.440 281 K N 5.262 125.710 120.400 0.080 0.000 2.499 281 K HA 0.409 4.729 4.320 0.000 0.000 0.215 281 K C -2.670 173.963 176.600 0.055 0.000 1.041 281 K CA -1.426 54.922 56.287 0.101 0.000 1.031 281 K CB 1.307 33.863 32.500 0.094 0.000 1.479 281 K HN 0.436 nan 8.250 nan 0.000 0.518 282 P HA 0.173 nan 4.420 nan 0.000 0.286 282 P C -0.710 176.500 177.300 -0.149 0.000 1.293 282 P CA -0.621 62.394 63.100 -0.142 0.000 0.770 282 P CB 0.644 32.156 31.700 -0.314 0.000 1.206 283 R N -0.035 120.340 120.500 -0.209 0.000 2.265 283 R HA 0.401 4.741 4.340 0.000 0.000 0.328 283 R C -0.533 175.627 176.300 -0.232 0.000 0.969 283 R CA -0.334 55.700 56.100 -0.110 0.000 0.832 283 R CB 0.253 30.523 30.300 -0.051 0.000 1.139 283 R HN 0.475 nan 8.270 nan 0.000 0.457 284 Y N 0.059 120.361 120.300 0.003 0.000 2.392 284 Y HA 0.513 5.063 4.550 0.000 0.000 0.323 284 Y C 1.302 177.215 175.900 0.023 0.000 1.291 284 Y CA -0.366 57.730 58.100 -0.007 0.000 1.345 284 Y CB 1.696 40.184 38.460 0.047 0.000 1.320 284 Y HN 0.654 nan 8.280 nan 0.000 0.518 285 G N 1.974 110.909 108.800 0.224 0.000 2.770 285 G HA2 0.383 4.343 3.960 0.000 0.000 0.298 285 G HA3 0.383 4.343 3.960 0.000 0.000 0.298 285 G C -2.145 172.930 174.900 0.291 0.000 1.534 285 G CA -0.503 44.752 45.100 0.258 0.000 1.046 285 G HN 0.429 nan 8.290 nan 0.000 0.548 286 L N 2.620 123.996 121.223 0.256 0.000 2.360 286 L HA 0.716 5.056 4.340 0.000 0.000 0.276 286 L C -0.551 176.527 176.870 0.348 0.000 1.121 286 L CA -0.238 54.744 54.840 0.236 0.000 0.845 286 L CB 1.375 43.502 42.059 0.114 0.000 1.143 286 L HN 0.187 nan 8.230 nan 0.000 0.452 287 V N 4.037 124.161 119.914 0.350 0.000 2.532 287 V HA 0.361 4.481 4.120 0.000 0.000 0.294 287 V C -0.234 176.111 176.094 0.419 0.000 1.036 287 V CA -0.435 62.105 62.300 0.399 0.000 0.876 287 V CB 1.906 33.911 31.823 0.305 0.000 1.012 287 V HN 0.861 nan 8.190 nan 0.000 0.432 288 T N 2.414 117.285 114.554 0.528 0.000 2.767 288 T HA 0.772 5.122 4.350 0.000 0.000 0.284 288 T C -0.713 174.184 174.700 0.329 0.000 0.973 288 T CA -0.487 61.879 62.100 0.443 0.000 0.996 288 T CB 1.193 70.392 68.868 0.551 0.000 0.927 288 T HN 0.727 nan 8.240 nan 0.000 0.456 289 Y N 1.556 121.863 120.300 0.012 0.000 2.562 289 Y HA 0.924 5.474 4.550 0.000 0.000 0.343 289 Y C 0.061 175.756 175.900 -0.342 0.000 1.025 289 Y CA -1.139 56.890 58.100 -0.117 0.000 1.082 289 Y CB 1.285 39.744 38.460 -0.002 0.000 1.264 289 Y HN 0.863 nan 8.280 nan 0.000 0.478 290 A N 1.007 123.659 122.820 -0.280 0.000 1.754 290 A HA 0.261 4.581 4.320 0.000 0.000 0.168 290 A C 1.136 178.670 177.584 -0.083 0.000 1.570 290 A CA 0.453 52.306 52.037 -0.306 0.000 2.038 290 A CB -0.351 18.434 19.000 -0.358 0.000 2.116 290 A HN 0.708 nan 8.150 nan 0.000 1.083 291 T N -0.196 114.282 114.554 -0.126 0.000 3.035 291 T HA 0.293 4.643 4.350 0.000 0.000 0.259 291 T C -0.451 173.833 174.700 -0.694 0.000 1.078 291 T CA 1.198 63.055 62.100 -0.406 0.000 1.132 291 T CB -0.322 68.237 68.868 -0.514 0.000 0.900 291 T HN 0.386 nan 8.240 nan 0.000 0.480 292 Y N -0.117 120.249 120.300 0.110 0.000 2.534 292 Y HA 0.473 5.023 4.550 0.000 0.000 0.345 292 Y C -2.861 173.127 175.900 0.146 0.000 1.031 292 Y CA -3.307 54.857 58.100 0.106 0.000 1.022 292 Y CB 0.930 39.438 38.460 0.080 0.000 1.292 292 Y HN -0.194 nan 8.280 nan 0.000 0.459 293 P HA 0.162 nan 4.420 nan 0.000 0.271 293 P C -0.911 176.517 177.300 0.213 0.000 1.218 293 P CA -0.391 62.849 63.100 0.234 0.000 0.780 293 P CB 0.711 32.501 31.700 0.149 0.000 0.901 294 K N 3.233 123.764 120.400 0.218 0.000 2.621 294 K HA 0.374 4.694 4.320 0.000 0.000 0.233 294 K C -1.065 175.518 176.600 -0.028 0.000 0.972 294 K CA -0.220 56.108 56.287 0.067 0.000 0.988 294 K CB -0.302 32.283 32.500 0.141 0.000 1.187 294 K HN 0.303 nan 8.250 nan 0.000 0.471 295 I N 5.002 125.536 120.570 -0.059 0.000 2.452 295 I HA 0.105 4.275 4.170 0.000 0.000 0.287 295 I C 0.195 176.255 176.117 -0.094 0.000 1.079 295 I CA -0.198 61.119 61.300 0.028 0.000 1.387 295 I CB 0.608 38.654 38.000 0.077 0.000 1.404 295 I HN 0.709 nan 8.210 nan 0.000 0.522 296 W N 4.782 126.149 121.300 0.111 0.000 2.630 296 W HA 0.215 4.875 4.660 0.000 0.000 0.275 296 W C 0.181 176.750 176.519 0.083 0.000 1.192 296 W CA 0.185 57.569 57.345 0.064 0.000 1.410 296 W CB 0.146 29.604 29.460 -0.004 0.000 1.075 296 W HN 0.133 nan 8.180 nan 0.000 0.581 297 V N 1.294 121.410 119.914 0.337 0.000 2.577 297 V HA 0.322 4.442 4.120 0.000 0.000 0.303 297 V C -0.418 175.864 176.094 0.314 0.000 1.042 297 V CA -1.478 61.025 62.300 0.338 0.000 0.872 297 V CB 1.763 33.737 31.823 0.251 0.000 0.998 297 V HN -0.196 nan 8.190 nan 0.000 0.423 298 K N 2.369 122.954 120.400 0.308 0.000 2.164 298 K HA 0.510 4.830 4.320 0.000 0.000 0.258 298 K C 0.932 177.669 176.600 0.229 0.000 0.951 298 K CA -0.562 55.873 56.287 0.247 0.000 0.844 298 K CB 2.119 34.737 32.500 0.197 0.000 1.099 298 K HN 0.538 nan 8.250 nan 0.000 0.435 299 V N 0.144 120.185 119.914 0.212 0.000 2.867 299 V HA -0.162 3.958 4.120 0.000 0.000 0.260 299 V C 1.481 177.661 176.094 0.144 0.000 1.099 299 V CA 1.897 64.294 62.300 0.162 0.000 1.122 299 V CB -0.654 31.261 31.823 0.153 0.000 0.708 299 V HN 0.752 nan 8.190 nan 0.000 0.490 300 S N -0.651 115.136 115.700 0.146 0.000 2.527 300 S HA 0.094 4.564 4.470 0.000 0.000 0.222 300 S C 0.699 175.355 174.600 0.092 0.000 0.985 300 S CA -0.146 58.122 58.200 0.115 0.000 0.921 300 S CB -0.570 62.696 63.200 0.109 0.000 0.772 300 S HN 0.791 nan 8.310 nan 0.000 0.529 301 E N 0.783 121.046 120.200 0.106 0.000 2.390 301 E HA 0.436 4.786 4.350 0.000 0.000 0.261 301 E C 0.675 177.295 176.600 0.033 0.000 1.076 301 E CA 0.100 56.539 56.400 0.065 0.000 0.905 301 E CB 0.626 30.382 29.700 0.093 0.000 0.984 301 E HN 0.375 nan 8.360 nan 0.000 0.427 302 A N 2.356 125.161 122.820 -0.025 0.000 2.238 302 A HA -0.056 4.264 4.320 0.000 0.000 0.208 302 A C 0.509 178.053 177.584 -0.066 0.000 1.177 302 A CA 0.568 52.585 52.037 -0.034 0.000 0.804 302 A CB 0.096 19.067 19.000 -0.048 0.000 0.823 302 A HN 0.436 nan 8.150 nan 0.000 0.482 303 D N -0.931 119.397 120.400 -0.119 0.000 2.433 303 D HA 0.021 4.661 4.640 0.000 0.000 0.211 303 D C 1.827 178.207 176.300 0.134 0.000 1.114 303 D CA 0.913 54.810 54.000 -0.171 0.000 0.837 303 D CB 0.186 40.531 40.800 -0.759 0.000 0.984 303 D HN 0.500 nan 8.370 nan 0.000 0.505 304 S N 0.154 115.967 115.700 0.188 0.000 2.423 304 S HA -0.143 4.327 4.470 0.000 0.000 0.231 304 S C 1.981 176.758 174.600 0.296 0.000 1.014 304 S CA 1.159 59.541 58.200 0.302 0.000 0.965 304 S CB -0.253 63.082 63.200 0.226 0.000 0.785 304 S HN 0.174 nan 8.310 nan 0.000 0.495 305 S N 1.428 117.247 115.700 0.199 0.000 2.470 305 S HA 0.094 4.564 4.470 0.000 0.000 0.225 305 S C 0.752 175.475 174.600 0.205 0.000 1.006 305 S CA 0.060 58.372 58.200 0.186 0.000 0.934 305 S CB -0.822 62.441 63.200 0.106 0.000 0.778 305 S HN 0.468 nan 8.310 nan 0.000 0.517 306 N N 2.151 120.964 118.700 0.189 0.000 2.406 306 N HA 0.410 5.150 4.740 0.000 0.000 0.265 306 N C 0.956 176.571 175.510 0.176 0.000 1.203 306 N CA 0.416 53.567 53.050 0.168 0.000 0.945 306 N CB 0.910 39.486 38.487 0.148 0.000 1.165 306 N HN 0.296 nan 8.380 nan 0.000 0.485 307 A N 3.341 126.229 122.820 0.112 0.000 1.940 307 A HA -0.206 4.114 4.320 0.000 0.000 0.219 307 A C 1.810 179.372 177.584 -0.037 0.000 1.176 307 A CA 1.755 53.785 52.037 -0.013 0.000 0.631 307 A CB -0.535 18.472 19.000 0.010 0.000 0.814 307 A HN 0.750 nan 8.150 nan 0.000 0.446 308 D N -1.598 118.826 120.400 0.040 0.000 2.084 308 D HA -0.222 4.418 4.640 0.000 0.000 0.194 308 D C 1.663 178.006 176.300 0.072 0.000 0.990 308 D CA 1.669 55.693 54.000 0.040 0.000 0.826 308 D CB -0.430 40.411 40.800 0.069 0.000 0.971 308 D HN 0.565 nan 8.370 nan 0.000 0.453 309 W N 0.674 121.953 121.300 -0.034 0.000 2.338 309 W HA -0.177 4.483 4.660 0.000 0.000 0.304 309 W C 2.193 178.690 176.519 -0.037 0.000 1.212 309 W CA 1.834 59.167 57.345 -0.018 0.000 1.264 309 W CB -0.538 28.929 29.460 0.012 0.000 1.142 309 W HN -0.087 nan 8.180 nan 0.000 0.512 310 V N 0.323 120.205 119.914 -0.052 0.000 2.469 310 V HA -0.350 3.770 4.120 0.000 0.000 0.251 310 V C 2.180 178.070 176.094 -0.340 0.000 1.064 310 V CA 2.419 64.554 62.300 -0.274 0.000 1.066 310 V CB -1.501 30.181 31.823 -0.235 0.000 0.667 310 V HN 0.218 nan 8.190 nan 0.000 0.461 311 T N -0.480 113.915 114.554 -0.265 0.000 2.777 311 T HA -0.148 4.202 4.350 0.000 0.000 0.266 311 T C 1.923 176.474 174.700 -0.247 0.000 1.040 311 T CA 1.254 63.207 62.100 -0.244 0.000 1.141 311 T CB -0.162 68.599 68.868 -0.178 0.000 0.868 311 T HN 0.491 nan 8.240 nan 0.000 0.444 312 K N 0.772 121.028 120.400 -0.240 0.000 2.103 312 K HA -0.000 4.320 4.320 0.000 0.000 0.204 312 K C 2.511 178.918 176.600 -0.321 0.000 1.052 312 K CA 0.730 56.883 56.287 -0.225 0.000 0.945 312 K CB -0.031 32.385 32.500 -0.141 0.000 0.722 312 K HN 0.236 nan 8.250 nan 0.000 0.443 313 Q N 0.562 120.066 119.800 -0.494 0.000 2.291 313 Q HA -0.101 4.239 4.340 0.000 0.000 0.205 313 Q C 1.932 177.632 176.000 -0.500 0.000 0.970 313 Q CA 0.794 56.282 55.803 -0.525 0.000 0.876 313 Q CB -0.083 28.223 28.738 -0.719 0.000 0.935 313 Q HN 0.195 nan 8.270 nan 0.000 0.455 314 L N 0.867 121.842 121.223 -0.413 0.000 2.492 314 L HA 0.029 4.369 4.340 0.000 0.000 0.223 314 L C 0.978 177.652 176.870 -0.327 0.000 1.132 314 L CA 0.985 55.599 54.840 -0.378 0.000 0.850 314 L CB -0.044 41.828 42.059 -0.311 0.000 0.966 314 L HN 0.018 nan 8.230 nan 0.000 0.454 315 N N -0.725 117.803 118.700 -0.287 0.000 2.432 315 N HA -0.012 4.728 4.740 0.000 0.000 0.174 315 N C 1.463 176.855 175.510 -0.197 0.000 1.037 315 N CA 0.701 53.625 53.050 -0.209 0.000 0.892 315 N CB 0.067 38.459 38.487 -0.159 0.000 1.049 315 N HN 0.388 nan 8.380 nan 0.000 0.442 316 E N 1.058 121.111 120.200 -0.244 0.000 2.204 316 E HA -0.039 4.311 4.350 0.000 0.000 0.194 316 E C 0.764 177.209 176.600 -0.258 0.000 0.989 316 E CA 0.181 56.461 56.400 -0.199 0.000 0.824 316 E CB -0.044 29.562 29.700 -0.158 0.000 0.756 316 E HN 0.485 nan 8.360 nan 0.000 0.477 317 I N -0.008 120.277 120.570 -0.475 0.000 2.836 317 I HA 0.153 4.323 4.170 0.000 0.000 0.285 317 I C 0.014 176.081 176.117 -0.084 0.000 1.174 317 I CA -0.344 60.681 61.300 -0.459 0.000 1.405 317 I CB 0.456 38.056 38.000 -0.667 0.000 1.385 317 I HN -0.176 nan 8.210 nan 0.000 0.594 318 N N 2.433 121.162 118.700 0.050 0.000 2.416 318 N HA 0.200 4.940 4.740 0.000 0.000 0.276 318 N C -0.233 175.323 175.510 0.077 0.000 1.261 318 N CA -0.747 52.380 53.050 0.129 0.000 0.790 318 N CB 1.194 39.720 38.487 0.065 0.000 1.554 318 N HN 0.700 nan 8.380 nan 0.000 0.481 319 Y N 1.031 121.254 120.300 -0.128 0.000 2.497 319 Y HA 0.074 4.624 4.550 0.000 0.000 0.292 319 Y C 1.116 176.867 175.900 -0.248 0.000 1.137 319 Y CA 1.507 59.300 58.100 -0.512 0.000 1.285 319 Y CB 0.438 38.636 38.460 -0.437 0.000 0.991 319 Y HN 0.557 nan 8.280 nan 0.000 0.556 320 E N -0.191 119.963 120.200 -0.076 0.000 2.481 320 E HA -0.104 4.246 4.350 0.000 0.000 0.195 320 E C 1.104 177.621 176.600 -0.137 0.000 1.047 320 E CA 0.632 56.980 56.400 -0.087 0.000 0.867 320 E CB -0.062 29.636 29.700 -0.002 0.000 0.858 320 E HN 0.618 nan 8.360 nan 0.000 0.513 321 D N 0.243 120.548 120.400 -0.158 0.000 2.219 321 D HA -0.103 4.538 4.640 0.000 0.000 0.205 321 D C 0.632 176.662 176.300 -0.450 0.000 0.970 321 D CA 1.038 54.903 54.000 -0.226 0.000 0.851 321 D CB -0.005 40.718 40.800 -0.128 0.000 0.943 321 D HN 0.329 nan 8.370 nan 0.000 0.488 322 H N -0.373 118.571 119.070 -0.209 0.000 2.500 322 H HA 0.221 4.777 4.556 0.000 0.000 0.243 322 H C 1.115 176.276 175.328 -0.278 0.000 1.318 322 H CA -0.107 55.815 56.048 -0.209 0.000 1.077 322 H CB 0.843 30.463 29.762 -0.236 0.000 1.748 322 H HN 0.090 nan 8.280 nan 0.000 0.556 323 K N 0.603 120.914 120.400 -0.148 0.000 2.214 323 K HA -0.027 4.293 4.320 0.000 0.000 0.201 323 K C 1.809 178.379 176.600 -0.050 0.000 1.049 323 K CA 0.117 56.330 56.287 -0.123 0.000 0.978 323 K CB 0.436 32.881 32.500 -0.092 0.000 0.842 323 K HN 0.120 nan 8.250 nan 0.000 0.474 324 L N 1.826 123.030 121.223 -0.032 0.000 2.046 324 L HA -0.089 4.251 4.340 0.000 0.000 0.208 324 L C 0.033 176.915 176.870 0.020 0.000 1.077 324 L CA 1.885 56.723 54.840 -0.002 0.000 0.747 324 L CB -0.044 42.015 42.059 0.000 0.000 0.896 324 L HN -0.027 nan 8.230 nan 0.000 0.432 325 K N -0.138 120.286 120.400 0.041 0.000 2.533 325 K HA 0.248 4.568 4.320 0.000 0.000 0.207 325 K C 0.081 176.697 176.600 0.027 0.000 1.052 325 K CA 0.254 56.579 56.287 0.064 0.000 1.030 325 K CB 0.488 33.085 32.500 0.162 0.000 1.522 325 K HN 0.211 nan 8.250 nan 0.000 0.543 326 S N 0.019 115.711 115.700 -0.014 0.000 4.183 326 S HA 0.223 4.693 4.470 0.000 0.000 0.195 326 S C 0.565 175.136 174.600 -0.049 0.000 1.421 326 S CA -0.766 57.403 58.200 -0.052 0.000 0.920 326 S CB 0.300 63.466 63.200 -0.057 0.000 1.525 326 S HN 0.468 nan 8.310 nan 0.000 0.447 327 G N 0.565 109.326 108.800 -0.064 0.000 2.552 327 G HA2 0.628 4.588 3.960 0.000 0.000 0.318 327 G HA3 0.628 4.588 3.960 0.000 0.000 0.318 327 G C -0.888 173.979 174.900 -0.055 0.000 1.240 327 G CA -0.872 44.189 45.100 -0.065 0.000 1.002 327 G HN 0.404 nan 8.290 nan 0.000 0.493 328 T N 1.044 115.595 114.554 -0.005 0.000 3.038 328 T HA 0.273 4.623 4.350 0.000 0.000 0.344 328 T C -0.507 174.279 174.700 0.142 0.000 1.054 328 T CA -0.532 61.617 62.100 0.082 0.000 1.092 328 T CB 0.565 69.491 68.868 0.096 0.000 1.031 328 T HN 0.425 nan 8.240 nan 0.000 0.482 329 N N 1.844 120.657 118.700 0.189 0.000 2.904 329 N HA 0.184 4.924 4.740 0.000 0.000 0.257 329 N C 1.075 176.593 175.510 0.013 0.000 1.363 329 N CA -0.395 52.707 53.050 0.086 0.000 0.856 329 N CB 0.812 39.288 38.487 -0.018 0.000 1.166 329 N HN 0.320 nan 8.380 nan 0.000 0.499 330 T N 0.559 115.101 114.554 -0.021 0.000 2.881 330 T HA -0.131 4.219 4.350 0.000 0.000 0.270 330 T C 1.669 176.158 174.700 -0.352 0.000 1.068 330 T CA 1.029 62.912 62.100 -0.361 0.000 1.131 330 T CB 0.294 69.079 68.868 -0.138 0.000 0.871 330 T HN 0.475 nan 8.240 nan 0.000 0.479 331 K N 1.434 121.697 120.400 -0.228 0.000 1.991 331 K HA -0.145 4.175 4.320 0.000 0.000 0.212 331 K C 2.232 178.728 176.600 -0.174 0.000 1.049 331 K CA 1.436 57.607 56.287 -0.194 0.000 0.932 331 K CB -0.081 32.329 32.500 -0.150 0.000 0.717 331 K HN 0.180 nan 8.250 nan 0.000 0.441 332 K N 0.049 120.368 120.400 -0.135 0.000 2.103 332 K HA -0.151 4.169 4.320 0.000 0.000 0.207 332 K C 2.155 178.688 176.600 -0.110 0.000 1.048 332 K CA 1.164 57.400 56.287 -0.085 0.000 0.930 332 K CB -0.183 32.308 32.500 -0.015 0.000 0.716 332 K HN 0.275 nan 8.250 nan 0.000 0.444 333 A N 1.591 124.265 122.820 -0.243 0.000 1.883 333 A HA -0.175 4.145 4.320 0.000 0.000 0.217 333 A C 2.116 179.593 177.584 -0.179 0.000 1.186 333 A CA 1.426 53.280 52.037 -0.306 0.000 0.624 333 A CB -0.692 17.728 19.000 -0.967 0.000 0.822 333 A HN 0.179 nan 8.150 nan 0.000 0.444 334 L N -1.007 120.095 121.223 -0.201 0.000 2.141 334 L HA -0.215 4.125 4.340 0.000 0.000 0.209 334 L C 2.818 179.643 176.870 -0.075 0.000 1.094 334 L CA 1.301 56.066 54.840 -0.126 0.000 0.763 334 L CB -0.644 41.333 42.059 -0.136 0.000 0.908 334 L HN 0.495 nan 8.230 nan 0.000 0.437 335 Q N 0.013 119.762 119.800 -0.085 0.000 2.170 335 Q HA -0.175 4.165 4.340 0.000 0.000 0.203 335 Q C 2.461 178.477 176.000 0.028 0.000 0.976 335 Q CA 1.467 57.241 55.803 -0.049 0.000 0.858 335 Q CB -0.240 28.446 28.738 -0.087 0.000 0.907 335 Q HN 0.564 nan 8.270 nan 0.000 0.433 336 A N 0.380 123.208 122.820 0.013 0.000 1.933 336 A HA -0.124 4.196 4.320 0.000 0.000 0.218 336 A C 2.282 179.897 177.584 0.051 0.000 1.175 336 A CA 1.235 53.301 52.037 0.049 0.000 0.628 336 A CB -0.482 18.557 19.000 0.065 0.000 0.814 336 A HN 0.214 nan 8.150 nan 0.000 0.444 337 V N -1.608 118.310 119.914 0.007 0.000 2.548 337 V HA -0.235 3.885 4.120 0.000 0.000 0.249 337 V C 2.278 178.285 176.094 -0.146 0.000 1.055 337 V CA 1.774 64.018 62.300 -0.093 0.000 1.065 337 V CB -1.076 30.622 31.823 -0.209 0.000 0.681 337 V HN 0.704 nan 8.190 nan 0.000 0.462 338 Y N 2.276 122.464 120.300 -0.188 0.000 2.181 338 Y HA -0.275 4.275 4.550 0.000 0.000 0.288 338 Y C 2.779 178.584 175.900 -0.158 0.000 1.146 338 Y CA 1.849 59.829 58.100 -0.199 0.000 1.164 338 Y CB -0.188 38.167 38.460 -0.175 0.000 0.982 338 Y HN 0.387 nan 8.280 nan 0.000 0.515 339 S N -0.705 115.017 115.700 0.036 0.000 2.481 339 S HA -0.152 4.318 4.470 0.000 0.000 0.231 339 S C 1.724 176.306 174.600 -0.029 0.000 0.996 339 S CA 1.185 59.382 58.200 -0.005 0.000 0.942 339 S CB -0.529 62.708 63.200 0.063 0.000 0.768 339 S HN 0.567 nan 8.310 nan 0.000 0.520 340 M N 1.044 120.642 119.600 -0.004 0.000 2.394 340 M HA 0.237 4.717 4.480 0.000 0.000 0.266 340 M C 2.250 178.614 176.300 0.107 0.000 1.098 340 M CA 1.057 56.419 55.300 0.103 0.000 1.149 340 M CB -0.352 32.392 32.600 0.240 0.000 1.369 340 M HN 0.519 nan 8.290 nan 0.000 0.450 341 M N -0.984 118.589 119.600 -0.045 0.000 2.371 341 M HA 0.278 4.758 4.480 0.000 0.000 0.246 341 M C 0.681 176.840 176.300 -0.234 0.000 1.103 341 M CA -0.298 54.988 55.300 -0.025 0.000 1.010 341 M CB -0.043 32.471 32.600 -0.143 0.000 1.457 341 M HN -0.009 nan 8.290 nan 0.000 0.486 342 S N 0.657 116.102 115.700 -0.424 0.000 2.645 342 S HA 0.542 5.012 4.470 0.000 0.000 0.266 342 S C -0.748 173.683 174.600 -0.281 0.000 1.258 342 S CA -0.835 56.957 58.200 -0.679 0.000 0.990 342 S CB 0.232 62.983 63.200 -0.749 0.000 0.967 342 S HN 0.573 nan 8.310 nan 0.000 0.556 343 W N -0.694 120.523 121.300 -0.139 0.000 2.864 343 W HA 0.680 5.340 4.660 0.000 0.000 0.343 343 W C -3.018 173.459 176.519 -0.070 0.000 1.109 343 W CA -2.798 54.494 57.345 -0.087 0.000 1.192 343 W CB -0.462 28.934 29.460 -0.107 0.000 1.426 343 W HN 0.458 nan 8.180 nan 0.000 0.529 344 P HA 0.052 nan 4.420 nan 0.000 0.270 344 P C -0.302 177.088 177.300 0.149 0.000 1.242 344 P CA 0.420 63.596 63.100 0.126 0.000 0.768 344 P CB 0.639 32.393 31.700 0.091 0.000 0.820 345 D N 1.757 122.224 120.400 0.112 0.000 2.699 345 D HA -0.151 4.489 4.640 0.000 0.000 0.239 345 D C -0.633 175.750 176.300 0.139 0.000 1.136 345 D CA 0.746 54.802 54.000 0.094 0.000 0.668 345 D CB -1.382 39.453 40.800 0.057 0.000 1.060 345 D HN 0.494 nan 8.370 nan 0.000 0.429 346 D N -1.148 119.412 120.400 0.267 0.000 2.803 346 D HA -0.163 4.477 4.640 0.000 0.000 0.233 346 D C -0.232 176.111 176.300 0.071 0.000 1.182 346 D CA 0.683 54.889 54.000 0.344 0.000 0.726 346 D CB -0.624 40.276 40.800 0.168 0.000 0.987 346 D HN 0.295 nan 8.370 nan 0.000 0.412 347 V N 0.603 120.482 119.914 -0.058 0.000 2.320 347 V HA 0.247 4.368 4.120 0.000 0.000 0.257 347 V C -2.056 173.551 176.094 -0.811 0.000 0.996 347 V CA -1.422 60.680 62.300 -0.330 0.000 0.928 347 V CB 1.195 32.943 31.823 -0.125 0.000 1.169 347 V HN 0.042 nan 8.190 nan 0.000 0.475 348 P HA 0.073 nan 4.420 nan 0.000 0.250 348 P C -2.339 174.455 177.300 -0.845 0.000 1.161 348 P CA -0.297 61.555 63.100 -2.079 0.000 0.863 348 P CB -0.378 29.918 31.700 -2.341 0.000 0.827 349 P HA -0.031 nan 4.420 nan 0.000 0.268 349 P C -0.027 177.298 177.300 0.042 0.000 1.208 349 P CA 0.055 63.087 63.100 -0.114 0.000 0.777 349 P CB 0.390 32.096 31.700 0.009 0.000 0.875 350 E N 1.574 121.795 120.200 0.036 0.000 2.341 350 E HA 0.276 4.626 4.350 0.000 0.000 0.256 350 E C 0.953 177.588 176.600 0.058 0.000 1.125 350 E CA 1.207 57.638 56.400 0.051 0.000 0.939 350 E CB -1.353 28.356 29.700 0.015 0.000 0.991 350 E HN 0.683 nan 8.360 nan 0.000 0.458 351 G N 4.734 113.563 108.800 0.048 0.000 2.145 351 G HA2 -0.181 3.779 3.960 0.000 0.000 0.145 351 G HA3 -0.181 3.779 3.960 0.000 0.000 0.145 351 G C 0.516 175.442 174.900 0.043 0.000 1.017 351 G CA 0.022 45.123 45.100 0.002 0.000 0.682 351 G HN 0.610 nan 8.290 nan 0.000 0.504 352 W N 1.525 122.798 121.300 -0.045 0.000 2.658 352 W HA 0.076 4.736 4.660 0.000 0.000 0.263 352 W C 1.002 177.535 176.519 0.024 0.000 1.274 352 W CA 1.145 58.503 57.345 0.021 0.000 1.343 352 W CB -0.671 28.723 29.460 -0.111 0.000 1.106 352 W HN 0.402 nan 8.180 nan 0.000 0.615 353 N N 1.215 119.279 118.700 -1.059 0.000 2.314 353 N HA -0.013 4.727 4.740 0.000 0.000 0.200 353 N C 1.076 176.245 175.510 -0.568 0.000 1.135 353 N CA 0.055 52.412 53.050 -1.155 0.000 0.835 353 N CB -0.614 37.026 38.487 -1.412 0.000 0.989 353 N HN 0.282 nan 8.380 nan 0.000 0.478 354 R N -1.361 119.003 120.500 -0.226 0.000 2.531 354 R HA 0.215 4.555 4.340 0.000 0.000 0.316 354 R C -0.446 175.942 176.300 0.146 0.000 0.955 354 R CA -0.081 56.038 56.100 0.031 0.000 1.120 354 R CB 0.736 31.022 30.300 -0.022 0.000 1.361 354 R HN 0.023 nan 8.270 nan 0.000 0.534 355 T N 1.737 116.365 114.554 0.123 0.000 2.749 355 T HA 0.350 4.700 4.350 0.000 0.000 0.287 355 T C -0.165 174.565 174.700 0.051 0.000 0.970 355 T CA -0.521 61.606 62.100 0.044 0.000 0.980 355 T CB 1.329 70.182 68.868 -0.025 0.000 0.924 355 T HN -0.105 nan 8.240 nan 0.000 0.456 356 R N 2.231 122.720 120.500 -0.019 0.000 2.390 356 R HA 0.452 4.792 4.340 0.000 0.000 0.291 356 R C -0.546 175.667 176.300 -0.145 0.000 1.070 356 R CA -0.356 55.746 56.100 0.003 0.000 1.014 356 R CB 0.222 30.497 30.300 -0.042 0.000 1.007 356 R HN 0.641 nan 8.270 nan 0.000 0.466 357 H N 0.153 119.352 119.070 0.215 0.000 2.505 357 H HA 0.437 4.993 4.556 0.000 0.000 0.338 357 H C -0.921 174.560 175.328 0.256 0.000 1.057 357 H CA -0.672 55.546 56.048 0.284 0.000 1.202 357 H CB 1.466 31.432 29.762 0.341 0.000 1.466 357 H HN 0.145 nan 8.280 nan 0.000 0.499 358 V N 5.635 125.773 119.914 0.373 0.000 2.349 358 V HA 0.249 4.369 4.120 0.000 0.000 0.284 358 V C -0.123 176.244 176.094 0.455 0.000 1.014 358 V CA -0.499 62.016 62.300 0.357 0.000 0.826 358 V CB 0.725 32.720 31.823 0.288 0.000 1.009 358 V HN 0.689 nan 8.190 nan 0.000 0.431 359 I N 6.200 127.028 120.570 0.431 0.000 2.304 359 I HA 0.471 4.641 4.170 0.000 0.000 0.291 359 I C -0.441 175.942 176.117 0.444 0.000 1.018 359 I CA -0.180 61.372 61.300 0.419 0.000 1.260 359 I CB 1.180 39.332 38.000 0.254 0.000 1.390 359 I HN 0.424 nan 8.210 nan 0.000 0.475 360 I N 8.080 128.928 120.570 0.463 0.000 2.410 360 I HA 0.410 4.580 4.170 0.000 0.000 0.286 360 I C -0.565 175.801 176.117 0.415 0.000 1.009 360 I CA -0.669 60.947 61.300 0.526 0.000 1.111 360 I CB 1.489 39.819 38.000 0.551 0.000 1.262 360 I HN 0.435 nan 8.210 nan 0.000 0.443 361 L N 3.447 124.922 121.223 0.421 0.000 2.408 361 L HA 0.764 5.104 4.340 0.000 0.000 0.268 361 L C -1.197 175.894 176.870 0.368 0.000 0.986 361 L CA -0.930 54.116 54.840 0.344 0.000 0.820 361 L CB 2.029 44.260 42.059 0.286 0.000 1.303 361 L HN 0.393 nan 8.230 nan 0.000 0.411 362 M N 3.060 122.834 119.600 0.290 0.000 2.157 362 M HA 0.683 5.163 4.480 0.000 0.000 0.354 362 M C -0.001 176.446 176.300 0.246 0.000 1.170 362 M CA 0.289 55.741 55.300 0.253 0.000 1.060 362 M CB 1.583 34.253 32.600 0.115 0.000 1.615 362 M HN 0.801 nan 8.290 nan 0.000 0.460 363 T N 0.418 115.116 114.554 0.240 0.000 3.087 363 T HA 0.261 4.611 4.350 0.000 0.000 0.351 363 T C -0.303 174.510 174.700 0.187 0.000 1.520 363 T CA -0.734 61.501 62.100 0.224 0.000 1.111 363 T CB 0.734 69.779 68.868 0.295 0.000 1.353 363 T HN 0.795 nan 8.240 nan 0.000 0.481 364 D N 1.729 122.222 120.400 0.155 0.000 2.363 364 D HA 0.203 4.843 4.640 0.000 0.000 0.220 364 D C 1.700 178.070 176.300 0.117 0.000 0.994 364 D CA 1.302 55.377 54.000 0.125 0.000 0.890 364 D CB -0.474 40.384 40.800 0.098 0.000 0.906 364 D HN 1.341 nan 8.370 nan 0.000 0.530 365 G N 0.301 109.193 108.800 0.154 0.000 2.205 365 G HA2 -0.298 3.662 3.960 0.000 0.000 0.261 365 G HA3 -0.298 3.662 3.960 0.000 0.000 0.261 365 G C 0.425 175.374 174.900 0.081 0.000 0.980 365 G CA 0.290 45.488 45.100 0.165 0.000 0.632 365 G HN 0.439 nan 8.290 nan 0.000 0.533 366 L N 2.869 124.116 121.223 0.040 0.000 2.533 366 L HA 0.297 4.637 4.340 0.000 0.000 0.239 366 L C 1.196 178.046 176.870 -0.034 0.000 1.376 366 L CA -0.573 54.234 54.840 -0.056 0.000 1.240 366 L CB -0.918 41.134 42.059 -0.013 0.000 1.487 366 L HN 0.530 nan 8.230 nan 0.000 0.419 367 H N -0.880 118.227 119.070 0.061 0.000 2.629 367 H HA 0.253 4.809 4.556 0.000 0.000 0.357 367 H C 0.575 175.922 175.328 0.032 0.000 1.121 367 H CA -0.664 55.419 56.048 0.058 0.000 1.406 367 H CB 0.545 30.341 29.762 0.056 0.000 1.456 367 H HN 0.351 nan 8.280 nan 0.000 0.579 368 N N 1.593 120.378 118.700 0.140 0.000 2.008 368 N HA 0.083 4.823 4.740 0.000 0.000 0.228 368 N C -0.704 174.848 175.510 0.071 0.000 1.375 368 N CA -0.159 52.934 53.050 0.073 0.000 0.856 368 N CB 0.556 39.057 38.487 0.024 0.000 1.096 368 N HN 0.559 nan 8.380 nan 0.000 0.489 369 M N -0.050 119.595 119.600 0.074 0.000 2.253 369 M HA 0.601 5.081 4.480 0.000 0.000 0.314 369 M C 0.414 176.722 176.300 0.014 0.000 1.019 369 M CA -0.187 55.128 55.300 0.025 0.000 0.932 369 M CB 2.507 35.095 32.600 -0.020 0.000 1.606 369 M HN 0.289 nan 8.290 nan 0.000 0.430 370 G N 1.444 110.242 108.800 -0.003 0.000 2.376 370 G HA2 0.051 4.011 3.960 0.000 0.000 0.208 370 G HA3 0.051 4.011 3.960 0.000 0.000 0.208 370 G C 0.375 175.255 174.900 -0.033 0.000 1.032 370 G CA -0.220 44.862 45.100 -0.030 0.000 0.641 370 G HN 1.514 nan 8.290 nan 0.000 0.503 371 G N 0.115 108.910 108.800 -0.008 0.000 2.460 371 G HA2 0.287 4.247 3.960 0.000 0.000 0.207 371 G HA3 0.287 4.247 3.960 0.000 0.000 0.207 371 G C -1.039 173.821 174.900 -0.067 0.000 1.170 371 G CA 0.744 45.842 45.100 -0.004 0.000 1.151 371 G HN 1.372 nan 8.290 nan 0.000 0.575 372 D N 1.822 122.173 120.400 -0.081 0.000 2.339 372 D HA 0.593 5.233 4.640 0.000 0.000 0.241 372 D C -0.935 175.244 176.300 -0.202 0.000 1.183 372 D CA -1.986 51.933 54.000 -0.136 0.000 0.859 372 D CB 1.526 42.297 40.800 -0.049 0.000 1.067 372 D HN 0.012 nan 8.370 nan 0.000 0.484 373 P HA -0.039 nan 4.420 nan 0.000 0.222 373 P C 1.521 178.722 177.300 -0.165 0.000 1.147 373 P CA 0.643 63.590 63.100 -0.256 0.000 0.790 373 P CB 0.229 31.743 31.700 -0.310 0.000 0.780 374 I N -0.233 120.258 120.570 -0.131 0.000 2.264 374 I HA -0.278 3.892 4.170 0.000 0.000 0.248 374 I C 2.313 178.375 176.117 -0.091 0.000 1.111 374 I CA 2.136 63.383 61.300 -0.089 0.000 1.382 374 I CB -1.510 36.453 38.000 -0.061 0.000 1.060 374 I HN 0.126 nan 8.210 nan 0.000 0.418 375 T N -1.056 113.439 114.554 -0.099 0.000 2.778 375 T HA -0.144 4.206 4.350 0.000 0.000 0.269 375 T C 1.750 176.376 174.700 -0.123 0.000 1.050 375 T CA 1.496 63.536 62.100 -0.101 0.000 1.137 375 T CB -0.947 67.860 68.868 -0.101 0.000 0.860 375 T HN 0.201 nan 8.240 nan 0.000 0.468 376 V N 1.560 121.391 119.914 -0.138 0.000 2.379 376 V HA -0.045 4.075 4.120 0.000 0.000 0.245 376 V C 2.763 178.788 176.094 -0.114 0.000 1.044 376 V CA 0.949 63.153 62.300 -0.159 0.000 1.036 376 V CB -0.620 31.107 31.823 -0.160 0.000 0.664 376 V HN 0.417 nan 8.190 nan 0.000 0.453 377 I N 0.739 121.254 120.570 -0.092 0.000 2.208 377 I HA -0.229 3.941 4.170 0.000 0.000 0.245 377 I C 2.272 178.356 176.117 -0.056 0.000 1.097 377 I CA 1.741 63.001 61.300 -0.067 0.000 1.363 377 I CB -1.297 36.663 38.000 -0.065 0.000 1.051 377 I HN 0.348 nan 8.210 nan 0.000 0.413 378 D N 0.836 121.197 120.400 -0.065 0.000 2.144 378 D HA -0.174 4.466 4.640 0.000 0.000 0.199 378 D C 2.134 178.405 176.300 -0.050 0.000 0.984 378 D CA 1.060 55.026 54.000 -0.056 0.000 0.834 378 D CB -0.188 40.575 40.800 -0.061 0.000 0.955 378 D HN 0.472 nan 8.370 nan 0.000 0.465 379 E N 0.177 120.334 120.200 -0.072 0.000 2.110 379 E HA -0.100 4.250 4.350 0.000 0.000 0.193 379 E C 2.332 178.981 176.600 0.081 0.000 0.988 379 E CA 0.421 56.783 56.400 -0.062 0.000 0.804 379 E CB -0.019 29.528 29.700 -0.254 0.000 0.745 379 E HN 0.332 nan 8.360 nan 0.000 0.458 380 I N 0.918 121.533 120.570 0.074 0.000 2.179 380 I HA -0.286 3.884 4.170 0.000 0.000 0.242 380 I C 2.483 178.598 176.117 -0.003 0.000 1.088 380 I CA 1.201 62.533 61.300 0.053 0.000 1.357 380 I CB -0.288 37.701 38.000 -0.018 0.000 1.051 380 I HN 0.041 nan 8.210 nan 0.000 0.409 381 R N 0.719 121.218 120.500 -0.002 0.000 2.081 381 R HA -0.176 4.164 4.340 0.000 0.000 0.235 381 R C 1.868 178.181 176.300 0.021 0.000 1.131 381 R CA 1.721 57.825 56.100 0.008 0.000 0.960 381 R CB -0.411 29.881 30.300 -0.013 0.000 0.856 381 R HN 0.355 nan 8.270 nan 0.000 0.436 382 D N 0.605 121.010 120.400 0.008 0.000 2.178 382 D HA -0.133 4.507 4.640 0.000 0.000 0.202 382 D C 1.729 178.067 176.300 0.063 0.000 0.974 382 D CA 0.732 54.741 54.000 0.016 0.000 0.841 382 D CB -0.111 40.689 40.800 0.001 0.000 0.953 382 D HN 0.060 nan 8.370 nan 0.000 0.478 383 L N 0.030 121.266 121.223 0.022 0.000 2.109 383 L HA 0.017 4.357 4.340 0.000 0.000 0.207 383 L C 1.649 178.552 176.870 0.054 0.000 1.086 383 L CA 1.346 56.125 54.840 -0.102 0.000 0.760 383 L CB -0.127 41.736 42.059 -0.327 0.000 0.910 383 L HN -0.012 nan 8.230 nan 0.000 0.437 384 L N -1.918 119.397 121.223 0.153 0.000 2.607 384 L HA 0.074 4.414 4.340 0.000 0.000 0.228 384 L C 0.076 177.258 176.870 0.519 0.000 1.123 384 L CA -0.296 54.767 54.840 0.371 0.000 0.890 384 L CB -0.366 41.820 42.059 0.211 0.000 1.103 384 L HN 0.190 nan 8.230 nan 0.000 0.468 385 Y N 1.368 121.820 120.300 0.254 0.000 3.018 385 Y HA -0.253 4.297 4.550 0.000 0.000 0.181 385 Y C -0.329 175.656 175.900 0.142 0.000 1.542 385 Y CA -0.108 58.122 58.100 0.216 0.000 0.975 385 Y CB -1.263 37.403 38.460 0.344 0.000 1.379 385 Y HN 0.114 nan 8.280 nan 0.000 0.423 386 I N 1.277 121.876 120.570 0.048 0.000 2.474 386 I HA 0.504 4.674 4.170 0.000 0.000 0.294 386 I C 1.273 177.359 176.117 -0.052 0.000 1.005 386 I CA -0.305 61.019 61.300 0.040 0.000 1.113 386 I CB 1.713 39.764 38.000 0.085 0.000 1.289 386 I HN 0.483 nan 8.210 nan 0.000 0.436 387 G N 4.393 113.171 108.800 -0.037 0.000 2.168 387 G HA2 -0.304 3.656 3.960 0.000 0.000 0.257 387 G HA3 -0.304 3.656 3.960 0.000 0.000 0.257 387 G C 0.533 175.362 174.900 -0.119 0.000 0.997 387 G CA 0.229 45.297 45.100 -0.054 0.000 0.708 387 G HN 0.733 nan 8.290 nan 0.000 0.520 388 K N -0.262 119.995 120.400 -0.239 0.000 2.455 388 K HA 0.268 4.588 4.320 0.000 0.000 0.206 388 K C -0.376 176.072 176.600 -0.253 0.000 1.027 388 K CA -0.095 55.978 56.287 -0.356 0.000 1.113 388 K CB 0.759 32.825 32.500 -0.722 0.000 0.850 388 K HN 0.240 nan 8.250 nan 0.000 0.503 389 D N 0.764 121.113 120.400 -0.084 0.000 2.763 389 D HA 0.069 4.709 4.640 0.000 0.000 0.235 389 D C 0.777 177.096 176.300 0.032 0.000 1.334 389 D CA -0.498 53.528 54.000 0.043 0.000 0.950 389 D CB 1.117 42.032 40.800 0.192 0.000 1.433 389 D HN 0.068 nan 8.370 nan 0.000 0.580 390 R N 3.210 123.723 120.500 0.022 0.000 2.120 390 R HA -0.098 4.242 4.340 0.000 0.000 0.234 390 R C 1.410 177.720 176.300 0.016 0.000 1.123 390 R CA 0.964 57.069 56.100 0.009 0.000 0.975 390 R CB 0.079 30.378 30.300 -0.001 0.000 0.866 390 R HN 0.234 nan 8.270 nan 0.000 0.446 391 K N 0.372 120.790 120.400 0.030 0.000 2.284 391 K HA -0.010 4.310 4.320 0.000 0.000 0.198 391 K C 0.002 176.629 176.600 0.045 0.000 1.048 391 K CA 0.459 56.763 56.287 0.028 0.000 0.987 391 K CB 0.344 32.859 32.500 0.024 0.000 0.800 391 K HN 0.054 nan 8.250 nan 0.000 0.486 392 N N 0.737 119.479 118.700 0.069 0.000 2.716 392 N HA 0.221 4.961 4.740 0.000 0.000 0.253 392 N C -2.478 173.096 175.510 0.107 0.000 1.170 392 N CA -2.140 50.965 53.050 0.091 0.000 0.807 392 N CB 1.641 40.187 38.487 0.098 0.000 1.183 392 N HN -0.133 nan 8.380 nan 0.000 0.524 393 P HA -0.067 nan 4.420 nan 0.000 0.215 393 P C -0.383 176.989 177.300 0.120 0.000 1.157 393 P CA 1.047 64.194 63.100 0.078 0.000 0.868 393 P CB 0.194 31.932 31.700 0.063 0.000 0.788 394 R N -1.833 118.774 120.500 0.178 0.000 3.656 394 R HA -0.162 4.178 4.340 0.000 0.000 0.297 394 R C 0.619 177.100 176.300 0.302 0.000 1.166 394 R CA 0.231 56.517 56.100 0.311 0.000 0.799 394 R CB -1.954 28.468 30.300 0.203 0.000 1.285 394 R HN 0.304 nan 8.270 nan 0.000 0.477 395 E N 0.325 120.627 120.200 0.169 0.000 2.347 395 E HA -0.123 4.227 4.350 0.000 0.000 0.196 395 E C 1.140 177.787 176.600 0.079 0.000 1.008 395 E CA 0.832 57.293 56.400 0.102 0.000 0.852 395 E CB 0.003 29.730 29.700 0.045 0.000 0.783 395 E HN 0.341 nan 8.360 nan 0.000 0.505 396 D N -0.727 119.705 120.400 0.053 0.000 2.349 396 D HA -0.100 4.540 4.640 0.000 0.000 0.224 396 D C 0.215 176.394 176.300 -0.201 0.000 1.029 396 D CA 0.285 54.221 54.000 -0.106 0.000 0.879 396 D CB -0.064 40.608 40.800 -0.214 0.000 0.906 396 D HN 0.156 nan 8.370 nan 0.000 0.528 397 Y N -0.292 120.053 120.300 0.073 0.000 2.625 397 Y HA 0.379 4.929 4.550 0.000 0.000 0.285 397 Y C -0.215 175.795 175.900 0.183 0.000 1.168 397 Y CA -0.499 57.675 58.100 0.122 0.000 1.250 397 Y CB 0.635 39.180 38.460 0.142 0.000 1.130 397 Y HN -0.123 nan 8.280 nan 0.000 0.526 398 L N 0.710 122.057 121.223 0.206 0.000 2.751 398 L HA 0.461 4.801 4.340 0.000 0.000 0.261 398 L C -2.190 174.705 176.870 0.043 0.000 0.927 398 L CA -0.527 54.414 54.840 0.168 0.000 0.968 398 L CB 1.449 43.590 42.059 0.136 0.000 1.432 398 L HN -0.158 nan 8.230 nan 0.000 0.439 399 D N 3.775 124.204 120.400 0.047 0.000 2.649 399 D HA 0.647 5.287 4.640 0.000 0.000 0.249 399 D C -0.996 175.234 176.300 -0.117 0.000 1.112 399 D CA 0.019 53.949 54.000 -0.118 0.000 0.850 399 D CB 2.956 43.739 40.800 -0.027 0.000 1.399 399 D HN 0.237 nan 8.370 nan 0.000 0.503 400 V N 3.567 123.301 119.914 -0.300 0.000 2.305 400 V HA 0.261 4.381 4.120 0.000 0.000 0.275 400 V C -0.909 175.124 176.094 -0.101 0.000 1.020 400 V CA -0.724 61.512 62.300 -0.107 0.000 0.811 400 V CB -0.062 31.712 31.823 -0.082 0.000 1.031 400 V HN 0.390 nan 8.190 nan 0.000 0.439 401 Y N 3.020 123.502 120.300 0.303 0.000 2.313 401 Y HA 0.571 5.121 4.550 0.000 0.000 0.332 401 Y C 0.267 176.295 175.900 0.214 0.000 1.071 401 Y CA -0.696 57.608 58.100 0.341 0.000 1.169 401 Y CB 1.617 40.414 38.460 0.561 0.000 1.192 401 Y HN 0.331 nan 8.280 nan 0.000 0.487 402 V N 5.339 125.364 119.914 0.184 0.000 2.376 402 V HA 0.327 4.447 4.120 0.000 0.000 0.287 402 V C -0.936 175.171 176.094 0.023 0.000 1.015 402 V CA -1.059 61.328 62.300 0.145 0.000 0.834 402 V CB 0.457 32.350 31.823 0.116 0.000 1.001 402 V HN 0.479 nan 8.190 nan 0.000 0.428 403 F N 2.598 122.736 119.950 0.313 0.000 2.388 403 F HA 0.677 5.204 4.527 0.000 0.000 0.358 403 F C 0.972 176.883 175.800 0.184 0.000 1.122 403 F CA -0.547 57.608 58.000 0.259 0.000 1.056 403 F CB 1.772 40.878 39.000 0.176 0.000 1.155 403 F HN 0.523 nan 8.300 nan 0.000 0.461 404 G N 3.203 112.184 108.800 0.303 0.000 2.547 404 G HA2 0.547 4.507 3.960 0.000 0.000 0.327 404 G HA3 0.547 4.507 3.960 0.000 0.000 0.327 404 G C -1.384 173.630 174.900 0.190 0.000 1.118 404 G CA -0.500 44.730 45.100 0.216 0.000 1.022 404 G HN 0.458 nan 8.290 nan 0.000 0.464 405 V N 1.622 121.634 119.914 0.163 0.000 2.443 405 V HA 0.883 5.003 4.120 0.000 0.000 0.293 405 V C 0.484 176.636 176.094 0.098 0.000 1.021 405 V CA 0.023 62.395 62.300 0.121 0.000 0.848 405 V CB 1.361 33.240 31.823 0.094 0.000 0.998 405 V HN 1.296 nan 8.190 nan 0.000 0.424 406 G N 6.004 114.855 108.800 0.086 0.000 2.599 406 G HA2 0.043 4.003 3.960 0.000 0.000 0.235 406 G HA3 0.043 4.003 3.960 0.000 0.000 0.235 406 G C -2.524 172.418 174.900 0.070 0.000 3.235 406 G CA -0.946 44.197 45.100 0.073 0.000 0.824 406 G HN 0.561 nan 8.290 nan 0.000 0.510 407 P HA 0.085 nan 4.420 nan 0.000 0.116 407 P C -0.140 177.193 177.300 0.056 0.000 0.836 407 P CA 0.460 63.602 63.100 0.069 0.000 1.148 407 P CB 0.005 31.746 31.700 0.069 0.000 1.585 408 L N 2.650 123.907 121.223 0.057 0.000 2.392 408 L HA 0.183 4.523 4.340 0.000 0.000 0.262 408 L C -0.711 176.189 176.870 0.051 0.000 1.498 408 L CA -0.403 54.464 54.840 0.046 0.000 0.820 408 L CB 1.458 43.534 42.059 0.030 0.000 0.990 408 L HN -0.099 nan 8.230 nan 0.000 0.520 409 V N 3.326 123.278 119.914 0.062 0.000 2.364 409 V HA 0.460 4.580 4.120 0.000 0.000 0.272 409 V C 0.200 176.326 176.094 0.052 0.000 1.036 409 V CA -0.370 61.971 62.300 0.069 0.000 0.880 409 V CB 1.648 33.526 31.823 0.092 0.000 0.991 409 V HN 0.682 nan 8.190 nan 0.000 0.460 410 N N 5.314 124.040 118.700 0.042 0.000 2.508 410 N HA 0.200 4.940 4.740 0.000 0.000 0.253 410 N C 1.039 176.570 175.510 0.035 0.000 1.145 410 N CA 0.251 53.316 53.050 0.026 0.000 0.973 410 N CB 0.964 39.451 38.487 0.000 0.000 1.305 410 N HN 0.781 nan 8.380 nan 0.000 0.506 411 Q N 1.427 121.244 119.800 0.027 0.000 2.297 411 Q HA -0.119 4.221 4.340 0.000 0.000 0.208 411 Q C 1.444 177.451 176.000 0.013 0.000 0.981 411 Q CA 1.101 56.915 55.803 0.019 0.000 0.876 411 Q CB 0.207 28.946 28.738 0.001 0.000 0.921 411 Q HN 0.459 nan 8.270 nan 0.000 0.446 412 V N 1.533 121.455 119.914 0.014 0.000 2.343 412 V HA -0.258 3.862 4.120 0.000 0.000 0.247 412 V C 1.590 177.702 176.094 0.031 0.000 1.051 412 V CA 1.905 64.213 62.300 0.015 0.000 1.036 412 V CB -0.467 31.364 31.823 0.014 0.000 0.654 412 V HN 0.400 nan 8.190 nan 0.000 0.451 413 N N 0.589 119.320 118.700 0.052 0.000 2.220 413 N HA -0.013 4.727 4.740 0.000 0.000 0.182 413 N C 1.858 177.418 175.510 0.083 0.000 1.023 413 N CA 1.668 54.776 53.050 0.096 0.000 0.856 413 N CB -0.480 38.103 38.487 0.160 0.000 0.997 413 N HN 0.667 nan 8.380 nan 0.000 0.429 414 I N -1.072 119.544 120.570 0.077 0.000 2.567 414 I HA -0.118 4.052 4.170 0.000 0.000 0.257 414 I C 1.776 177.912 176.117 0.033 0.000 1.184 414 I CA 1.510 62.854 61.300 0.073 0.000 1.451 414 I CB -0.243 37.806 38.000 0.083 0.000 1.089 414 I HN -0.073 nan 8.210 nan 0.000 0.441 415 N N 2.096 120.804 118.700 0.012 0.000 2.336 415 N HA 0.025 4.765 4.740 0.000 0.000 0.177 415 N C 1.888 177.385 175.510 -0.023 0.000 1.018 415 N CA 1.551 54.590 53.050 -0.019 0.000 0.878 415 N CB -0.104 38.364 38.487 -0.030 0.000 0.997 415 N HN 0.429 nan 8.380 nan 0.000 0.433 416 A N 0.441 123.258 122.820 -0.005 0.000 2.019 416 A HA 0.004 4.324 4.320 0.000 0.000 0.219 416 A C 2.187 179.756 177.584 -0.025 0.000 1.164 416 A CA 0.887 52.916 52.037 -0.012 0.000 0.644 416 A CB -0.513 18.491 19.000 0.007 0.000 0.805 416 A HN 0.363 nan 8.150 nan 0.000 0.449 417 L N -1.031 120.183 121.223 -0.015 0.000 2.168 417 L HA 0.155 4.495 4.340 0.000 0.000 0.203 417 L C 1.690 178.531 176.870 -0.048 0.000 1.078 417 L CA 0.232 55.057 54.840 -0.025 0.000 0.780 417 L CB -0.606 41.455 42.059 0.002 0.000 0.939 417 L HN 0.351 nan 8.230 nan 0.000 0.451 418 A N 0.380 123.175 122.820 -0.043 0.000 2.520 418 A HA 0.210 4.530 4.320 0.000 0.000 0.235 418 A C 0.605 178.078 177.584 -0.185 0.000 1.065 418 A CA -0.066 51.919 52.037 -0.086 0.000 0.764 418 A CB 0.097 19.074 19.000 -0.037 0.000 1.002 418 A HN 0.246 nan 8.150 nan 0.000 0.502 419 S N 0.514 115.977 115.700 -0.394 0.000 2.589 419 S HA 0.337 4.807 4.470 0.000 0.000 0.265 419 S C -0.089 174.272 174.600 -0.398 0.000 1.342 419 S CA 0.041 57.938 58.200 -0.505 0.000 1.005 419 S CB 0.406 63.111 63.200 -0.825 0.000 0.909 419 S HN 0.522 nan 8.310 nan 0.000 0.555 420 K N 1.800 122.054 120.400 -0.242 0.000 2.579 420 K HA 0.354 4.674 4.320 0.000 0.000 0.225 420 K C -0.891 175.680 176.600 -0.049 0.000 0.992 420 K CA -0.124 56.105 56.287 -0.097 0.000 1.018 420 K CB 1.081 33.537 32.500 -0.073 0.000 1.249 420 K HN 0.314 nan 8.250 nan 0.000 0.489 421 K N 0.991 121.410 120.400 0.033 0.000 2.203 421 K HA 0.243 4.563 4.320 0.000 0.000 0.251 421 K C -0.749 175.875 176.600 0.039 0.000 0.944 421 K CA -1.171 55.147 56.287 0.052 0.000 0.829 421 K CB 1.588 34.157 32.500 0.116 0.000 1.125 421 K HN 0.394 nan 8.250 nan 0.000 0.430 422 D N 1.978 122.390 120.400 0.021 0.000 2.493 422 D HA -0.084 4.556 4.640 0.000 0.000 0.240 422 D C 0.481 176.775 176.300 -0.010 0.000 1.142 422 D CA 1.084 55.087 54.000 0.007 0.000 0.872 422 D CB 0.251 41.062 40.800 0.019 0.000 1.173 422 D HN 0.587 nan 8.370 nan 0.000 0.467 423 N N 2.011 120.695 118.700 -0.028 0.000 2.714 423 N HA -0.239 4.501 4.740 0.000 0.000 0.250 423 N C -1.238 174.249 175.510 -0.037 0.000 1.117 423 N CA 1.098 54.125 53.050 -0.038 0.000 0.719 423 N CB -0.720 37.745 38.487 -0.038 0.000 1.081 423 N HN 0.686 nan 8.380 nan 0.000 0.557 424 E N -0.014 120.166 120.200 -0.035 0.000 2.293 424 E HA 0.316 4.666 4.350 0.000 0.000 0.270 424 E C -0.757 175.775 176.600 -0.112 0.000 0.879 424 E CA -0.650 55.710 56.400 -0.067 0.000 0.756 424 E CB 1.953 31.627 29.700 -0.043 0.000 1.208 424 E HN 0.224 nan 8.360 nan 0.000 0.428 425 Q N 1.996 121.681 119.800 -0.192 0.000 2.316 425 Q HA 0.277 4.617 4.340 0.000 0.000 0.264 425 Q C -0.294 175.426 176.000 -0.465 0.000 0.987 425 Q CA -0.367 55.264 55.803 -0.287 0.000 0.852 425 Q CB 0.878 29.445 28.738 -0.285 0.000 1.287 425 Q HN 0.700 nan 8.270 nan 0.000 0.448 426 H N 1.629 120.502 119.070 -0.328 0.000 3.255 426 H HA 0.203 4.759 4.556 0.000 0.000 0.256 426 H C -0.295 174.805 175.328 -0.380 0.000 1.049 426 H CA 0.258 56.212 56.048 -0.158 0.000 1.202 426 H CB 1.318 30.954 29.762 -0.209 0.000 1.497 426 H HN 0.271 nan 8.280 nan 0.000 0.503 427 V N 2.581 122.200 119.914 -0.491 0.000 2.407 427 V HA 0.171 4.291 4.120 0.000 0.000 0.278 427 V C -0.706 174.977 176.094 -0.685 0.000 1.037 427 V CA -0.069 61.993 62.300 -0.396 0.000 0.900 427 V CB 0.584 32.285 31.823 -0.204 0.000 0.983 427 V HN 0.082 nan 8.190 nan 0.000 0.459 428 F N 3.741 123.640 119.950 -0.085 0.000 2.513 428 F HA 0.433 4.960 4.527 0.000 0.000 0.358 428 F C 0.217 176.074 175.800 0.094 0.000 1.118 428 F CA -0.754 57.245 58.000 -0.001 0.000 1.037 428 F CB 1.492 40.475 39.000 -0.027 0.000 1.276 428 F HN 0.328 nan 8.300 nan 0.000 0.446 429 K N 4.524 125.055 120.400 0.219 0.000 2.257 429 K HA 0.494 4.814 4.320 0.000 0.000 0.270 429 K C -0.572 176.180 176.600 0.254 0.000 1.098 429 K CA -0.428 55.982 56.287 0.204 0.000 0.943 429 K CB 0.808 33.386 32.500 0.129 0.000 1.316 429 K HN 0.575 nan 8.250 nan 0.000 0.447 430 V N 2.841 122.909 119.914 0.257 0.000 2.785 430 V HA 0.185 4.305 4.120 0.000 0.000 0.300 430 V C 1.251 177.439 176.094 0.158 0.000 1.062 430 V CA -0.194 62.240 62.300 0.223 0.000 1.029 430 V CB 1.633 33.574 31.823 0.196 0.000 1.024 430 V HN 0.940 nan 8.190 nan 0.000 0.477 431 K N 2.352 122.795 120.400 0.073 0.000 1.965 431 K HA -0.069 4.251 4.320 0.000 0.000 0.214 431 K C 0.365 176.954 176.600 -0.018 0.000 1.046 431 K CA 1.978 58.219 56.287 -0.076 0.000 0.944 431 K CB -0.056 32.237 32.500 -0.345 0.000 0.726 431 K HN 1.055 nan 8.250 nan 0.000 0.441 432 D N -1.708 118.682 120.400 -0.017 0.000 2.559 432 D HA 0.029 4.669 4.640 0.000 0.000 0.250 432 D C 0.652 176.959 176.300 0.011 0.000 1.135 432 D CA -0.638 53.362 54.000 0.000 0.000 0.955 432 D CB 0.733 41.523 40.800 -0.017 0.000 1.442 432 D HN 0.055 nan 8.370 nan 0.000 0.471 433 M N 0.500 120.103 119.600 0.005 0.000 2.106 433 M HA -0.147 4.333 4.480 0.000 0.000 0.259 433 M C 1.666 177.965 176.300 -0.002 0.000 1.068 433 M CA 2.030 57.325 55.300 -0.007 0.000 1.100 433 M CB -0.751 31.836 32.600 -0.021 0.000 1.351 433 M HN 0.689 nan 8.290 nan 0.000 0.404 434 E N -0.598 119.603 120.200 0.002 0.000 2.085 434 E HA -0.255 4.095 4.350 0.000 0.000 0.194 434 E C 1.568 178.191 176.600 0.038 0.000 0.994 434 E CA 1.644 58.053 56.400 0.015 0.000 0.801 434 E CB -0.092 29.607 29.700 -0.003 0.000 0.743 434 E HN 0.592 nan 8.360 nan 0.000 0.453 435 N N 0.620 119.336 118.700 0.027 0.000 2.142 435 N HA -0.148 4.592 4.740 0.000 0.000 0.186 435 N C 1.822 177.372 175.510 0.068 0.000 1.023 435 N CA 0.680 53.756 53.050 0.043 0.000 0.852 435 N CB -0.452 38.050 38.487 0.025 0.000 0.998 435 N HN 0.183 nan 8.380 nan 0.000 0.424 436 L N 1.867 123.122 121.223 0.054 0.000 2.079 436 L HA -0.143 4.197 4.340 0.000 0.000 0.210 436 L C 1.780 178.675 176.870 0.042 0.000 1.081 436 L CA 1.710 56.578 54.840 0.046 0.000 0.752 436 L CB -0.470 41.587 42.059 -0.004 0.000 0.896 436 L HN 0.174 nan 8.230 nan 0.000 0.433 437 E N -0.622 119.599 120.200 0.035 0.000 2.047 437 E HA -0.217 4.133 4.350 0.000 0.000 0.191 437 E C 1.756 178.500 176.600 0.240 0.000 0.987 437 E CA 1.291 57.724 56.400 0.056 0.000 0.799 437 E CB -0.248 29.580 29.700 0.215 0.000 0.752 437 E HN 0.530 nan 8.360 nan 0.000 0.449 438 D N 0.515 121.104 120.400 0.314 0.000 2.271 438 D HA -0.138 4.502 4.640 0.000 0.000 0.207 438 D C 1.932 178.343 176.300 0.184 0.000 0.983 438 D CA 0.583 54.772 54.000 0.315 0.000 0.878 438 D CB -0.199 40.683 40.800 0.136 0.000 0.920 438 D HN 0.027 nan 8.370 nan 0.000 0.479 439 V N 0.035 120.012 119.914 0.105 0.000 2.343 439 V HA -0.218 3.903 4.120 0.000 0.000 0.247 439 V C 1.774 177.747 176.094 -0.200 0.000 1.051 439 V CA 1.318 63.587 62.300 -0.052 0.000 1.036 439 V CB -0.442 31.317 31.823 -0.105 0.000 0.654 439 V HN 0.116 nan 8.190 nan 0.000 0.451 440 F N -2.168 117.625 119.950 -0.261 0.000 2.776 440 F HA 0.182 4.709 4.527 0.000 0.000 0.300 440 F C 1.892 177.517 175.800 -0.291 0.000 1.116 440 F CA -0.056 57.748 58.000 -0.326 0.000 1.375 440 F CB -0.450 38.275 39.000 -0.459 0.000 1.109 440 F HN 0.113 nan 8.300 nan 0.000 0.585 441 Y N -0.105 120.224 120.300 0.048 0.000 2.243 441 Y HA -0.141 4.409 4.550 0.000 0.000 0.293 441 Y C 2.576 178.465 175.900 -0.019 0.000 1.124 441 Y CA 1.266 59.369 58.100 0.005 0.000 1.159 441 Y CB -0.820 37.636 38.460 -0.006 0.000 1.008 441 Y HN 0.059 nan 8.280 nan 0.000 0.527 442 Q N 0.000 119.875 119.800 0.125 0.000 2.291 442 Q HA -0.194 4.146 4.340 0.000 0.000 0.206 442 Q C 1.824 177.829 176.000 0.008 0.000 0.976 442 Q CA 1.336 57.169 55.803 0.050 0.000 0.875 442 Q CB -0.096 28.657 28.738 0.025 0.000 0.927 442 Q HN 0.515 nan 8.270 nan 0.000 0.450 443 M N -0.376 119.209 119.600 -0.025 0.000 2.123 443 M HA -0.110 4.370 4.480 0.000 0.000 0.263 443 M C 2.053 178.329 176.300 -0.040 0.000 1.069 443 M CA 1.151 56.425 55.300 -0.043 0.000 1.133 443 M CB -0.152 32.393 32.600 -0.092 0.000 1.356 443 M HN 0.224 nan 8.290 nan 0.000 0.415 444 I N 0.547 121.102 120.570 -0.025 0.000 2.264 444 I HA -0.313 3.857 4.170 0.000 0.000 0.248 444 I C 1.609 177.707 176.117 -0.032 0.000 1.111 444 I CA 1.143 62.422 61.300 -0.035 0.000 1.382 444 I CB -0.649 37.352 38.000 0.002 0.000 1.060 444 I HN 0.310 nan 8.210 nan 0.000 0.418 445 D N 0.230 120.628 120.400 -0.004 0.000 2.149 445 D HA -0.053 4.587 4.640 0.000 0.000 0.206 445 D C 1.112 177.404 176.300 -0.014 0.000 0.967 445 D CA 0.488 54.485 54.000 -0.004 0.000 0.848 445 D CB -0.182 40.626 40.800 0.013 0.000 0.998 445 D HN 0.339 nan 8.370 nan 0.000 0.474 446 E N 0.904 121.098 120.200 -0.009 0.000 2.373 446 E HA 0.155 4.505 4.350 0.000 0.000 0.267 446 E C -0.615 175.979 176.600 -0.011 0.000 1.032 446 E CA -0.098 56.300 56.400 -0.003 0.000 0.889 446 E CB 0.505 30.210 29.700 0.008 0.000 0.984 446 E HN -0.034 nan 8.360 nan 0.000 0.425 447 S N 3.991 119.694 115.700 0.005 0.000 2.252 447 S HA 0.209 4.679 4.470 0.000 0.000 0.187 447 S C -0.376 174.262 174.600 0.062 0.000 1.587 447 S CA -0.918 57.294 58.200 0.020 0.000 1.215 447 S CB 0.731 63.932 63.200 0.001 0.000 1.085 447 S HN 0.528 nan 8.310 nan 0.000 0.466 448 Q N 2.315 122.172 119.800 0.096 0.000 2.349 448 Q HA 0.131 4.471 4.340 0.000 0.000 0.287 448 Q C 0.312 176.357 176.000 0.076 0.000 1.044 448 Q CA 0.216 56.065 55.803 0.077 0.000 0.918 448 Q CB 0.408 29.191 28.738 0.074 0.000 1.242 448 Q HN 0.872 nan 8.270 nan 0.000 0.405 449 S N 2.678 118.398 115.700 0.034 0.000 2.515 449 S HA 0.142 4.612 4.470 0.000 0.000 0.285 449 S C -0.068 174.535 174.600 0.005 0.000 1.265 449 S CA -0.390 57.822 58.200 0.019 0.000 1.079 449 S CB 0.151 63.347 63.200 -0.007 0.000 0.877 449 S HN 0.480 nan 8.310 nan 0.000 0.493 450 L N 3.760 124.992 121.223 0.015 0.000 2.360 450 L HA 0.340 4.680 4.340 0.000 0.000 0.265 450 L C -0.057 176.798 176.870 -0.025 0.000 1.066 450 L CA -0.298 54.531 54.840 -0.018 0.000 0.929 450 L CB 0.505 42.557 42.059 -0.013 0.000 1.306 450 L HN 0.667 nan 8.230 nan 0.000 0.434 451 S N 2.994 118.666 115.700 -0.047 0.000 2.537 451 S HA 0.572 5.042 4.470 0.000 0.000 0.301 451 S C 0.140 174.694 174.600 -0.077 0.000 1.092 451 S CA -0.560 57.604 58.200 -0.060 0.000 1.048 451 S CB 2.131 65.289 63.200 -0.070 0.000 1.053 451 S HN 0.420 nan 8.310 nan 0.000 0.501 452 L N 2.397 123.563 121.223 -0.094 0.000 2.956 452 L HA 0.293 4.633 4.340 0.000 0.000 0.232 452 L C -0.033 176.777 176.870 -0.100 0.000 1.291 452 L CA -0.607 54.181 54.840 -0.087 0.000 1.122 452 L CB -0.294 41.719 42.059 -0.076 0.000 1.461 452 L HN 0.740 nan 8.230 nan 0.000 0.470 453 c N -1.217 117.325 118.600 -0.098 0.000 2.527 453 c HA 0.694 5.264 4.570 0.000 0.000 0.396 453 c C 1.570 175.624 174.090 -0.060 0.000 1.289 453 c CA -0.180 56.091 56.329 -0.097 0.000 2.047 453 c CB 0.060 42.500 42.510 -0.116 0.000 2.568 453 c HN 0.977 nan 8.230 nan 0.000 0.573 454 G N 3.994 112.764 108.800 -0.050 0.000 2.305 454 G HA2 -0.171 3.789 3.960 0.000 0.000 0.287 454 G HA3 -0.171 3.789 3.960 0.000 0.000 0.287 454 G C -0.118 174.903 174.900 0.202 0.000 1.036 454 G CA 0.393 45.467 45.100 -0.043 0.000 0.887 454 G HN 0.827 nan 8.290 nan 0.000 0.505 455 M N -0.648 119.071 119.600 0.198 0.000 2.367 455 M HA 0.691 5.171 4.480 0.000 0.000 0.339 455 M C 0.089 176.563 176.300 0.290 0.000 1.177 455 M CA -0.796 54.633 55.300 0.215 0.000 1.068 455 M CB 1.800 34.451 32.600 0.085 0.000 1.602 455 M HN 0.039 nan 8.290 nan 0.000 0.457 456 V N 1.442 121.530 119.914 0.291 0.000 2.697 456 V HA 0.584 4.704 4.120 0.000 0.000 0.300 456 V C -0.760 175.442 176.094 0.180 0.000 1.115 456 V CA -0.741 61.704 62.300 0.241 0.000 0.912 456 V CB 1.633 33.656 31.823 0.334 0.000 1.024 456 V HN 0.923 nan 8.190 nan 0.000 0.431 457 W N 3.325 124.696 121.300 0.118 0.000 2.478 457 W HA 0.770 5.430 4.660 0.000 0.000 0.318 457 W C 0.205 176.772 176.519 0.080 0.000 1.062 457 W CA -0.918 56.480 57.345 0.090 0.000 1.210 457 W CB 0.502 30.001 29.460 0.065 0.000 1.325 457 W HN 0.738 nan 8.180 nan 0.000 0.496 463 T N 1.051 115.499 114.554 -0.176 0.000 2.918 463 T HA 0.467 4.817 4.350 0.000 0.000 0.283 463 T C 0.085 174.894 174.700 0.181 0.000 1.001 463 T CA -0.430 61.655 62.100 -0.026 0.000 1.041 463 T CB 1.479 70.311 68.868 -0.061 0.000 1.028 463 T HN 0.171 nan 8.240 nan 0.000 0.511 464 D N -0.068 120.434 120.400 0.169 0.000 2.364 464 D HA 0.103 4.743 4.640 0.000 0.000 0.236 464 D C 0.500 176.941 176.300 0.235 0.000 1.221 464 D CA 0.405 54.474 54.000 0.115 0.000 0.891 464 D CB -0.018 40.842 40.800 0.100 0.000 1.190 464 D HN 0.743 nan 8.370 nan 0.000 0.449 465 Y N -1.758 118.454 120.300 -0.146 0.000 4.893 465 Y HA -0.334 4.216 4.550 0.000 0.000 0.257 465 Y C 1.438 177.119 175.900 -0.366 0.000 0.958 465 Y CA 1.432 59.361 58.100 -0.285 0.000 1.897 465 Y CB -1.856 36.445 38.460 -0.265 0.000 1.352 465 Y HN 0.601 nan 8.280 nan 0.000 0.499 466 H N -1.071 117.954 119.070 -0.076 0.000 2.497 466 H HA 0.118 4.674 4.556 0.000 0.000 0.282 466 H C 1.725 176.955 175.328 -0.163 0.000 1.003 466 H CA 1.305 57.299 56.048 -0.091 0.000 1.307 466 H CB 0.115 29.849 29.762 -0.047 0.000 1.437 466 H HN 0.340 nan 8.280 nan 0.000 0.544 467 K N 0.051 120.377 120.400 -0.123 0.000 2.314 467 K HA 0.058 4.378 4.320 0.000 0.000 0.198 467 K C -0.130 176.134 176.600 -0.560 0.000 1.045 467 K CA 0.607 56.764 56.287 -0.218 0.000 0.988 467 K CB 0.584 32.989 32.500 -0.159 0.000 0.783 467 K HN 0.151 nan 8.250 nan 0.000 0.484 468 Q N -0.569 118.758 119.800 -0.788 0.000 3.300 468 Q HA 0.160 4.500 4.340 0.000 0.000 0.271 468 Q C -2.404 172.825 176.000 -1.284 0.000 0.926 468 Q CA -1.375 53.469 55.803 -1.598 0.000 0.788 468 Q CB 1.511 29.520 28.738 -1.215 0.000 1.385 468 Q HN -0.092 nan 8.270 nan 0.000 0.424 469 P HA -0.182 nan 4.420 nan 0.000 0.216 469 P C 0.692 177.853 177.300 -0.231 0.000 1.153 469 P CA 1.072 63.955 63.100 -0.362 0.000 0.848 469 P CB -0.046 31.570 31.700 -0.141 0.000 0.787 470 W N 0.056 121.330 121.300 -0.043 0.000 2.350 470 W HA -0.062 4.598 4.660 0.000 0.000 0.289 470 W C 0.737 177.269 176.519 0.022 0.000 1.215 470 W CA -0.006 57.333 57.345 -0.009 0.000 1.236 470 W CB -2.113 27.326 29.460 -0.035 0.000 1.130 470 W HN -0.112 nan 8.180 nan 0.000 0.541 471 Q N 2.155 121.707 119.800 -0.415 0.000 2.304 471 Q HA 0.300 4.640 4.340 0.000 0.000 0.315 471 Q C -0.458 175.574 176.000 0.053 0.000 1.075 471 Q CA 1.013 56.717 55.803 -0.164 0.000 0.988 471 Q CB 0.609 29.086 28.738 -0.435 0.000 1.146 471 Q HN 0.327 nan 8.270 nan 0.000 0.383 472 A N 4.544 127.436 122.820 0.120 0.000 2.401 472 A HA 0.645 4.965 4.320 0.000 0.000 0.310 472 A C -1.227 176.440 177.584 0.137 0.000 1.075 472 A CA -0.805 51.319 52.037 0.145 0.000 0.746 472 A CB 1.399 20.484 19.000 0.141 0.000 1.277 472 A HN 0.674 nan 8.150 nan 0.000 0.425 473 K N 2.701 123.184 120.400 0.138 0.000 2.394 473 K HA 0.646 4.966 4.320 0.000 0.000 0.260 473 K C -1.403 175.260 176.600 0.104 0.000 0.967 473 K CA -0.312 56.047 56.287 0.119 0.000 0.855 473 K CB 0.655 33.233 32.500 0.130 0.000 1.101 473 K HN 0.680 nan 8.250 nan 0.000 0.433 474 I N 2.274 122.907 120.570 0.105 0.000 2.460 474 I HA 0.302 4.472 4.170 0.000 0.000 0.298 474 I C -0.365 175.803 176.117 0.084 0.000 0.989 474 I CA -0.736 60.635 61.300 0.118 0.000 1.173 474 I CB 2.105 40.209 38.000 0.172 0.000 1.338 474 I HN 0.509 nan 8.210 nan 0.000 0.456 475 S N 4.096 119.853 115.700 0.095 0.000 2.541 475 S HA 0.632 5.102 4.470 0.000 0.000 0.280 475 S C -0.786 173.871 174.600 0.095 0.000 1.112 475 S CA -0.631 57.619 58.200 0.083 0.000 0.925 475 S CB 2.465 65.706 63.200 0.069 0.000 1.067 475 S HN 0.290 nan 8.310 nan 0.000 0.479 476 V N 3.472 123.436 119.914 0.084 0.000 2.443 476 V HA 0.468 4.588 4.120 0.000 0.000 0.293 476 V C -0.347 175.804 176.094 0.095 0.000 1.021 476 V CA -0.636 61.717 62.300 0.088 0.000 0.848 476 V CB 1.539 33.394 31.823 0.053 0.000 0.998 476 V HN 0.903 nan 8.190 nan 0.000 0.424 477 I N 5.883 126.504 120.570 0.085 0.000 2.395 477 I HA 0.551 4.721 4.170 0.000 0.000 0.289 477 I C -0.082 176.079 176.117 0.073 0.000 1.023 477 I CA -0.120 61.233 61.300 0.087 0.000 1.350 477 I CB 0.396 38.441 38.000 0.075 0.000 1.409 477 I HN 0.644 nan 8.210 nan 0.000 0.507 478 R N 6.421 126.968 120.500 0.078 0.000 2.744 478 R HA 0.438 4.778 4.340 0.000 0.000 0.279 478 R C -2.577 173.761 176.300 0.064 0.000 0.977 478 R CA -1.835 54.304 56.100 0.064 0.000 0.906 478 R CB 1.314 31.647 30.300 0.055 0.000 1.197 478 R HN 0.403 nan 8.270 nan 0.000 0.463 479 P HA 0.007 nan 4.420 nan 0.000 0.257 479 P C -0.380 176.948 177.300 0.047 0.000 1.269 479 P CA 0.745 63.877 63.100 0.054 0.000 1.122 479 P CB 0.253 31.984 31.700 0.051 0.000 1.285 480 S N 0.752 116.482 115.700 0.050 0.000 2.829 480 S HA -0.257 4.213 4.470 0.000 0.000 0.267 480 S C 1.503 176.128 174.600 0.042 0.000 1.293 480 S CA 1.905 60.132 58.200 0.045 0.000 1.375 480 S CB -1.207 62.015 63.200 0.037 0.000 1.700 480 S HN 0.472 nan 8.310 nan 0.000 0.668 481 K N 1.889 122.313 120.400 0.041 0.000 2.296 481 K HA 0.335 4.655 4.320 0.000 0.000 0.200 481 K C 1.209 177.823 176.600 0.024 0.000 1.048 481 K CA 1.701 58.006 56.287 0.031 0.000 0.966 481 K CB -0.305 32.214 32.500 0.030 0.000 0.754 481 K HN 0.835 nan 8.250 nan 0.000 0.466 482 G N -0.794 108.032 108.800 0.044 0.000 2.265 482 G HA2 -0.008 3.952 3.960 0.000 0.000 0.246 482 G HA3 -0.008 3.952 3.960 0.000 0.000 0.246 482 G C -1.668 173.290 174.900 0.097 0.000 1.299 482 G CA -0.336 44.789 45.100 0.042 0.000 1.117 482 G HN 0.585 nan 8.290 nan 0.000 0.485 483 H N -0.991 118.094 119.070 0.025 0.000 2.934 483 H HA 0.764 5.320 4.556 0.000 0.000 0.340 483 H C -0.756 174.580 175.328 0.012 0.000 1.008 483 H CA -0.522 55.538 56.048 0.021 0.000 1.317 483 H CB 1.961 31.737 29.762 0.023 0.000 1.670 483 H HN 0.567 nan 8.280 nan 0.000 0.516 484 E N 2.526 122.748 120.200 0.036 0.000 2.217 484 E HA 0.186 4.537 4.350 0.000 0.000 0.279 484 E C -0.584 176.028 176.600 0.020 0.000 1.068 484 E CA -0.236 56.148 56.400 -0.027 0.000 0.882 484 E CB 0.748 30.401 29.700 -0.079 0.000 1.039 484 E HN 0.570 nan 8.360 nan 0.000 0.418 485 S N 4.757 120.474 115.700 0.030 0.000 2.434 485 S HA 0.431 4.901 4.470 0.000 0.000 0.318 485 S C -0.759 173.853 174.600 0.020 0.000 1.062 485 S CA -0.685 57.558 58.200 0.072 0.000 1.116 485 S CB -0.396 62.883 63.200 0.133 0.000 0.977 485 S HN 0.615 nan 8.310 nan 0.000 0.480 486 c N 4.598 123.192 118.600 -0.009 0.000 3.119 486 c HA 0.732 5.302 4.570 0.000 0.000 0.359 486 c C -0.272 173.843 174.090 0.042 0.000 1.486 486 c CA -0.866 55.452 56.329 -0.019 0.000 1.556 486 c CB 1.620 44.044 42.510 -0.144 0.000 2.063 486 c HN 0.805 nan 8.230 nan 0.000 0.454 487 M N 0.339 119.979 119.600 0.066 0.000 2.593 487 M HA 0.617 5.097 4.480 0.000 0.000 0.290 487 M C -0.004 176.376 176.300 0.133 0.000 1.244 487 M CA -0.039 55.324 55.300 0.105 0.000 0.857 487 M CB 2.363 35.028 32.600 0.109 0.000 1.738 487 M HN 0.931 nan 8.290 nan 0.000 0.461 488 G N 0.558 109.449 108.800 0.152 0.000 3.222 488 G HA2 0.942 4.902 3.960 0.000 0.000 0.263 488 G HA3 0.942 4.902 3.960 0.000 0.000 0.263 488 G C -2.043 172.973 174.900 0.194 0.000 1.312 488 G CA -0.685 44.518 45.100 0.172 0.000 0.934 488 G HN 0.868 nan 8.290 nan 0.000 0.577 489 A N -0.814 122.126 122.820 0.201 0.000 2.480 489 A HA 0.576 4.896 4.320 0.000 0.000 0.289 489 A C -0.795 176.917 177.584 0.214 0.000 1.044 489 A CA -0.409 51.775 52.037 0.246 0.000 0.761 489 A CB 1.399 20.543 19.000 0.239 0.000 1.289 489 A HN 1.193 nan 8.150 nan 0.000 0.401 490 V N 3.569 123.623 119.914 0.233 0.000 2.493 490 V HA 0.140 4.260 4.120 0.000 0.000 0.292 490 V C 1.453 177.659 176.094 0.188 0.000 1.016 490 V CA 1.046 63.470 62.300 0.207 0.000 1.097 490 V CB 0.730 32.683 31.823 0.216 0.000 0.947 490 V HN 1.285 nan 8.190 nan 0.000 0.479 491 V N 1.742 121.763 119.914 0.177 0.000 3.604 491 V HA 0.411 4.531 4.120 0.000 0.000 0.277 491 V C 0.588 176.778 176.094 0.160 0.000 1.399 491 V CA 0.811 63.192 62.300 0.135 0.000 1.034 491 V CB 0.100 31.995 31.823 0.121 0.000 0.824 491 V HN 0.868 nan 8.190 nan 0.000 0.439 492 S N -0.603 115.239 115.700 0.237 0.000 2.800 492 S HA 0.420 4.890 4.470 0.000 0.000 0.293 492 S C 0.050 174.835 174.600 0.309 0.000 1.209 492 S CA -0.115 58.260 58.200 0.292 0.000 0.884 492 S CB 1.311 64.714 63.200 0.338 0.000 1.244 492 S HN 0.144 nan 8.310 nan 0.000 0.540 493 E N -0.471 119.881 120.200 0.253 0.000 2.502 493 E HA 0.187 4.537 4.350 0.000 0.000 0.194 493 E C -0.184 176.185 176.600 -0.386 0.000 1.062 493 E CA 0.583 56.931 56.400 -0.087 0.000 0.867 493 E CB -0.073 29.541 29.700 -0.144 0.000 0.888 493 E HN 0.596 nan 8.360 nan 0.000 0.510 494 Y N -2.126 118.183 120.300 0.015 0.000 2.713 494 Y HA 0.167 4.717 4.550 0.000 0.000 0.265 494 Y C 0.326 176.084 175.900 -0.237 0.000 1.177 494 Y CA -0.528 57.470 58.100 -0.170 0.000 1.144 494 Y CB 0.548 38.818 38.460 -0.316 0.000 1.360 494 Y HN -0.137 nan 8.280 nan 0.000 0.491 495 F N 0.817 120.862 119.950 0.158 0.000 2.375 495 F HA 0.519 5.046 4.527 0.000 0.000 0.333 495 F C -0.102 175.740 175.800 0.071 0.000 1.104 495 F CA -0.887 57.159 58.000 0.075 0.000 1.149 495 F CB 1.061 40.079 39.000 0.031 0.000 1.190 495 F HN -0.462 nan 8.300 nan 0.000 0.533 496 V N 4.630 124.682 119.914 0.230 0.000 2.445 496 V HA 0.188 4.308 4.120 0.000 0.000 0.283 496 V C -0.596 175.602 176.094 0.173 0.000 1.014 496 V CA -0.781 61.624 62.300 0.177 0.000 0.852 496 V CB 1.355 33.254 31.823 0.128 0.000 1.021 496 V HN 0.538 nan 8.190 nan 0.000 0.435 497 L N 4.806 126.135 121.223 0.176 0.000 2.490 497 L HA 0.629 4.969 4.340 0.000 0.000 0.274 497 L C 0.291 177.268 176.870 0.179 0.000 1.201 497 L CA 1.740 56.686 54.840 0.176 0.000 0.869 497 L CB 1.035 43.188 42.059 0.158 0.000 1.123 497 L HN 0.879 nan 8.230 nan 0.000 0.484 498 T N 3.017 117.686 114.554 0.192 0.000 2.693 498 T HA 0.709 5.059 4.350 0.000 0.000 0.304 498 T C -0.777 174.041 174.700 0.196 0.000 1.471 498 T CA -0.133 62.084 62.100 0.196 0.000 0.993 498 T CB 0.483 69.492 68.868 0.234 0.000 1.554 498 T HN 1.010 nan 8.240 nan 0.000 0.496 499 A N 0.312 123.236 122.820 0.173 0.000 2.346 499 A HA 0.701 5.021 4.320 0.000 0.000 0.255 499 A C 1.326 179.014 177.584 0.175 0.000 1.113 499 A CA 0.595 52.725 52.037 0.155 0.000 0.798 499 A CB -0.395 18.631 19.000 0.043 0.000 1.073 499 A HN 1.396 nan 8.150 nan 0.000 0.502 500 A N -1.236 121.681 122.820 0.163 0.000 2.192 500 A HA 0.146 4.466 4.320 0.000 0.000 0.208 500 A C 1.570 179.267 177.584 0.188 0.000 1.220 500 A CA 0.784 52.894 52.037 0.121 0.000 0.900 500 A CB -0.529 18.265 19.000 -0.342 0.000 0.937 500 A HN 1.013 nan 8.150 nan 0.000 0.487 501 H N -1.427 117.798 119.070 0.259 0.000 2.547 501 H HA 0.004 4.560 4.556 0.000 0.000 0.272 501 H C 1.364 176.796 175.328 0.173 0.000 0.989 501 H CA 1.207 57.455 56.048 0.334 0.000 1.214 501 H CB -0.713 29.347 29.762 0.496 0.000 1.389 501 H HN 0.360 nan 8.280 nan 0.000 0.577 502 c N 0.781 119.116 118.600 -0.441 0.000 2.472 502 c HA 0.166 4.736 4.570 0.000 0.000 0.278 502 c C 0.418 174.079 174.090 -0.715 0.000 1.447 502 c CA 0.015 55.957 56.329 -0.644 0.000 1.773 502 c CB -1.598 40.368 42.510 -0.906 0.000 1.793 502 c HN 0.303 nan 8.230 nan 0.000 0.544 503 F N -1.162 118.875 119.950 0.145 0.000 2.640 503 F HA 0.596 5.123 4.527 0.000 0.000 0.324 503 F C 0.196 176.114 175.800 0.196 0.000 1.077 503 F CA -0.616 57.518 58.000 0.225 0.000 0.965 503 F CB 1.029 40.252 39.000 0.372 0.000 1.351 503 F HN -0.315 nan 8.300 nan 0.000 0.487 504 T N -0.873 113.883 114.554 0.337 0.000 2.864 504 T HA 0.400 4.750 4.350 0.000 0.000 0.299 504 T C 0.400 175.135 174.700 0.058 0.000 1.166 504 T CA -0.508 61.658 62.100 0.110 0.000 1.007 504 T CB 1.554 70.477 68.868 0.092 0.000 1.219 504 T HN 0.315 nan 8.240 nan 0.000 0.506 505 V N 2.105 121.991 119.914 -0.046 0.000 2.594 505 V HA -0.076 4.044 4.120 0.000 0.000 0.253 505 V C 1.985 178.102 176.094 0.039 0.000 1.069 505 V CA 2.001 64.286 62.300 -0.024 0.000 1.082 505 V CB -0.537 31.259 31.823 -0.045 0.000 0.680 505 V HN 0.766 nan 8.190 nan 0.000 0.469 506 D N -0.462 119.965 120.400 0.045 0.000 2.149 506 D HA -0.048 4.592 4.640 0.000 0.000 0.201 506 D C 0.679 177.016 176.300 0.061 0.000 0.972 506 D CA 0.694 54.725 54.000 0.051 0.000 0.835 506 D CB -0.351 40.476 40.800 0.046 0.000 0.966 506 D HN 0.403 nan 8.370 nan 0.000 0.476 507 D N 2.053 122.504 120.400 0.085 0.000 2.434 507 D HA 0.021 4.661 4.640 0.000 0.000 0.252 507 D C 0.917 177.245 176.300 0.046 0.000 1.185 507 D CA 0.398 54.445 54.000 0.078 0.000 0.886 507 D CB 0.867 41.765 40.800 0.163 0.000 1.148 507 D HN -0.070 nan 8.370 nan 0.000 0.483 508 K N 2.306 122.667 120.400 -0.065 0.000 2.488 508 K HA 0.157 4.477 4.320 0.000 0.000 0.255 508 K C 1.020 177.552 176.600 -0.113 0.000 1.036 508 K CA -0.406 55.825 56.287 -0.093 0.000 0.990 508 K CB 0.399 32.802 32.500 -0.161 0.000 1.304 508 K HN 0.174 nan 8.250 nan 0.000 0.505 509 E N 0.035 120.201 120.200 -0.058 0.000 2.318 509 E HA -0.068 4.282 4.350 0.000 0.000 0.193 509 E C 1.483 178.079 176.600 -0.006 0.000 0.998 509 E CA 0.804 57.193 56.400 -0.019 0.000 0.859 509 E CB -0.238 29.475 29.700 0.022 0.000 0.812 509 E HN 0.590 nan 8.360 nan 0.000 0.492 510 H N -1.399 117.696 119.070 0.041 0.000 2.547 510 H HA 0.162 4.718 4.556 0.000 0.000 0.272 510 H C 1.344 176.701 175.328 0.049 0.000 0.989 510 H CA 1.143 57.213 56.048 0.037 0.000 1.214 510 H CB -0.017 29.764 29.762 0.031 0.000 1.389 510 H HN 0.066 nan 8.280 nan 0.000 0.577 511 S N 0.169 115.676 115.700 -0.322 0.000 2.540 511 S HA 0.261 4.731 4.470 0.000 0.000 0.218 511 S C 0.292 174.890 174.600 -0.003 0.000 0.977 511 S CA -0.616 57.501 58.200 -0.138 0.000 0.918 511 S CB -0.167 62.903 63.200 -0.217 0.000 0.806 511 S HN 0.319 nan 8.310 nan 0.000 0.496 512 I N 2.344 122.926 120.570 0.021 0.000 2.382 512 I HA 0.481 4.651 4.170 0.000 0.000 0.286 512 I C -0.734 175.432 176.117 0.082 0.000 1.002 512 I CA -0.663 60.697 61.300 0.101 0.000 1.135 512 I CB 1.551 39.634 38.000 0.139 0.000 1.288 512 I HN -0.089 nan 8.210 nan 0.000 0.448 513 K N 5.953 126.408 120.400 0.092 0.000 2.324 513 K HA 0.686 5.006 4.320 0.000 0.000 0.253 513 K C -0.990 175.656 176.600 0.077 0.000 0.932 513 K CA -0.790 55.537 56.287 0.066 0.000 0.799 513 K CB 3.052 35.580 32.500 0.048 0.000 1.154 513 K HN 0.247 nan 8.250 nan 0.000 0.425 514 V N 0.992 120.939 119.914 0.055 0.000 2.487 514 V HA 0.394 4.514 4.120 0.000 0.000 0.298 514 V C -0.287 175.824 176.094 0.028 0.000 1.028 514 V CA -0.756 61.580 62.300 0.060 0.000 0.860 514 V CB 1.890 33.750 31.823 0.062 0.000 0.991 514 V HN 0.772 nan 8.190 nan 0.000 0.427 515 S N 3.903 119.621 115.700 0.031 0.000 2.502 515 S HA 0.855 5.325 4.470 0.000 0.000 0.304 515 S C -0.747 173.851 174.600 -0.004 0.000 1.097 515 S CA -0.467 57.728 58.200 -0.007 0.000 1.045 515 S CB 1.421 64.610 63.200 -0.020 0.000 1.019 515 S HN 1.039 nan 8.310 nan 0.000 0.481 516 V N 1.709 121.588 119.914 -0.058 0.000 3.040 516 V HA 0.948 5.068 4.120 0.000 0.000 0.312 516 V C 0.975 176.932 176.094 -0.228 0.000 1.115 516 V CA -0.139 62.127 62.300 -0.056 0.000 0.998 516 V CB 0.699 32.525 31.823 0.004 0.000 1.042 516 V HN 1.563 nan 8.190 nan 0.000 0.433 517 G N 0.445 109.074 108.800 -0.285 0.000 2.166 517 G HA2 0.069 4.029 3.960 0.000 0.000 0.260 517 G HA3 0.069 4.029 3.960 0.000 0.000 0.260 517 G C 1.590 175.946 174.900 -0.908 0.000 0.986 517 G CA 1.001 45.836 45.100 -0.441 0.000 0.683 517 G HN 2.910 nan 8.290 nan 0.000 0.527 518 G N -1.021 106.873 108.800 -1.509 0.000 2.153 518 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 518 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 518 G C 0.159 174.778 174.900 -0.469 0.000 0.994 518 G CA 0.970 45.356 45.100 -1.189 0.000 0.698 518 G HN 1.077 nan 8.290 nan 0.000 0.521 519 E N -0.175 119.811 120.200 -0.356 0.000 2.392 519 E HA 0.230 4.580 4.350 0.000 0.000 0.264 519 E C 1.319 177.834 176.600 -0.141 0.000 1.024 519 E CA 0.215 56.496 56.400 -0.198 0.000 0.903 519 E CB 0.847 30.453 29.700 -0.156 0.000 0.963 519 E HN 0.351 nan 8.360 nan 0.000 0.432 520 K N 3.563 123.904 120.400 -0.098 0.000 2.155 520 K HA -0.109 4.211 4.320 0.000 0.000 0.203 520 K C 0.850 177.418 176.600 -0.053 0.000 1.052 520 K CA 0.648 56.895 56.287 -0.067 0.000 0.948 520 K CB 0.179 32.648 32.500 -0.051 0.000 0.728 520 K HN 0.435 nan 8.250 nan 0.000 0.448 521 R N 0.655 121.122 120.500 -0.055 0.000 2.649 521 R HA 0.127 4.467 4.340 0.000 0.000 0.270 521 R C -0.971 175.306 176.300 -0.039 0.000 1.105 521 R CA -0.381 55.694 56.100 -0.042 0.000 1.193 521 R CB 0.362 30.637 30.300 -0.042 0.000 1.120 521 R HN -0.137 nan 8.270 nan 0.000 0.561 522 D N 1.039 121.425 120.400 -0.024 0.000 2.375 522 D HA 0.302 4.942 4.640 0.000 0.000 0.247 522 D C -0.436 175.856 176.300 -0.015 0.000 1.061 522 D CA -0.490 53.501 54.000 -0.014 0.000 0.834 522 D CB 1.608 42.409 40.800 0.002 0.000 1.247 522 D HN 0.364 nan 8.370 nan 0.000 0.489 523 L N 1.628 122.840 121.223 -0.017 0.000 2.349 523 L HA 0.231 4.571 4.340 0.000 0.000 0.275 523 L C 0.865 177.729 176.870 -0.010 0.000 1.115 523 L CA -0.397 54.430 54.840 -0.023 0.000 0.820 523 L CB 0.574 42.612 42.059 -0.035 0.000 1.135 523 L HN 0.152 nan 8.230 nan 0.000 0.445 524 E N 3.976 124.169 120.200 -0.011 0.000 2.259 524 E HA 0.262 4.612 4.350 0.000 0.000 0.281 524 E C -0.211 176.380 176.600 -0.014 0.000 1.037 524 E CA -0.352 56.047 56.400 -0.002 0.000 0.854 524 E CB 1.331 31.033 29.700 0.003 0.000 1.051 524 E HN 0.438 nan 8.360 nan 0.000 0.409 525 I N -0.671 119.890 120.570 -0.015 0.000 2.970 525 I HA 0.228 4.398 4.170 0.000 0.000 0.310 525 I C 0.872 176.965 176.117 -0.039 0.000 1.010 525 I CA -0.378 60.898 61.300 -0.040 0.000 1.228 525 I CB 1.242 39.207 38.000 -0.059 0.000 1.433 525 I HN 0.601 nan 8.210 nan 0.000 0.573 526 E N 1.839 122.000 120.200 -0.065 0.000 2.207 526 E HA 0.239 4.589 4.350 0.000 0.000 0.197 526 E C -0.440 176.127 176.600 -0.054 0.000 0.914 526 E CA 0.214 56.580 56.400 -0.056 0.000 0.914 526 E CB 1.325 30.977 29.700 -0.079 0.000 0.893 526 E HN 0.520 nan 8.360 nan 0.000 0.479 527 V N 1.186 121.051 119.914 -0.082 0.000 2.950 527 V HA 0.292 4.412 4.120 0.000 0.000 0.295 527 V C -1.675 174.350 176.094 -0.115 0.000 1.297 527 V CA -0.812 61.448 62.300 -0.066 0.000 0.962 527 V CB 2.050 33.857 31.823 -0.025 0.000 1.081 527 V HN -0.012 nan 8.190 nan 0.000 0.432 528 V N 7.652 127.466 119.914 -0.166 0.000 2.348 528 V HA 0.440 4.560 4.120 0.000 0.000 0.270 528 V C 0.137 176.040 176.094 -0.319 0.000 1.037 528 V CA -0.367 61.715 62.300 -0.363 0.000 0.872 528 V CB 1.209 32.628 31.823 -0.673 0.000 1.002 528 V HN 0.684 nan 8.190 nan 0.000 0.464 529 L N 6.261 127.377 121.223 -0.178 0.000 2.261 529 L HA 0.479 4.819 4.340 0.000 0.000 0.289 529 L C -0.336 176.566 176.870 0.053 0.000 1.059 529 L CA 0.006 54.879 54.840 0.054 0.000 0.816 529 L CB 0.282 42.467 42.059 0.210 0.000 1.191 529 L HN 0.440 nan 8.230 nan 0.000 0.431 530 F N 1.393 121.439 119.950 0.159 0.000 2.370 530 F HA 0.267 4.794 4.527 0.000 0.000 0.324 530 F C 1.061 176.804 175.800 -0.095 0.000 1.116 530 F CA -0.433 57.577 58.000 0.017 0.000 1.123 530 F CB 0.434 39.413 39.000 -0.034 0.000 1.238 530 F HN 0.397 nan 8.300 nan 0.000 0.536 531 H N 3.330 122.213 119.070 -0.311 0.000 2.803 531 H HA 0.087 4.643 4.556 0.000 0.000 0.330 531 H C -1.792 173.390 175.328 -0.244 0.000 1.057 531 H CA -1.401 54.211 56.048 -0.727 0.000 1.458 531 H CB 1.527 30.864 29.762 -0.708 0.000 1.470 531 H HN 0.263 nan 8.280 nan 0.000 0.560 532 P HA -0.104 nan 4.420 nan 0.000 0.221 532 P C 0.219 177.457 177.300 -0.105 0.000 1.145 532 P CA 1.103 64.058 63.100 -0.242 0.000 0.795 532 P CB 0.385 31.906 31.700 -0.299 0.000 0.775 533 N N -2.659 116.047 118.700 0.011 0.000 2.214 533 N HA 0.035 4.775 4.740 0.000 0.000 0.214 533 N C -0.357 175.264 175.510 0.184 0.000 1.132 533 N CA -0.299 52.770 53.050 0.031 0.000 0.856 533 N CB -0.459 37.825 38.487 -0.338 0.000 1.020 533 N HN 0.210 nan 8.380 nan 0.000 0.509 534 Y N 1.708 122.087 120.300 0.131 0.000 2.436 534 Y HA 0.368 4.918 4.550 0.000 0.000 0.343 534 Y C -0.319 175.640 175.900 0.099 0.000 1.008 534 Y CA -0.376 57.806 58.100 0.136 0.000 1.241 534 Y CB 0.300 38.845 38.460 0.143 0.000 1.153 534 Y HN -0.097 nan 8.280 nan 0.000 0.521 535 N N 7.195 125.661 118.700 -0.389 0.000 2.685 535 N HA 0.071 4.811 4.740 0.000 0.000 0.252 535 N C 0.014 175.330 175.510 -0.322 0.000 1.261 535 N CA -0.296 52.572 53.050 -0.304 0.000 0.768 535 N CB 0.277 38.720 38.487 -0.074 0.000 1.304 535 N HN 0.933 nan 8.380 nan 0.000 0.536 536 I N 1.302 121.529 120.570 -0.571 0.000 2.614 536 I HA -0.035 4.135 4.170 0.000 0.000 0.258 536 I C -0.118 175.875 176.117 -0.207 0.000 1.189 536 I CA 0.957 62.026 61.300 -0.385 0.000 1.462 536 I CB 0.323 38.109 38.000 -0.355 0.000 1.092 536 I HN 0.266 nan 8.210 nan 0.000 0.442 537 N N 1.053 119.647 118.700 -0.176 0.000 2.380 537 N HA 0.208 4.948 4.740 0.000 0.000 0.255 537 N C 0.579 175.997 175.510 -0.152 0.000 1.158 537 N CA 0.206 53.168 53.050 -0.147 0.000 0.878 537 N CB 0.856 39.275 38.487 -0.113 0.000 1.138 537 N HN 0.287 nan 8.380 nan 0.000 0.509 538 G N -0.260 108.431 108.800 -0.182 0.000 3.707 538 G HA2 0.077 4.037 3.960 0.000 0.000 0.286 538 G HA3 0.077 4.037 3.960 0.000 0.000 0.286 538 G C 0.896 175.584 174.900 -0.354 0.000 1.112 538 G CA -0.162 44.806 45.100 -0.221 0.000 0.861 538 G HN -0.055 nan 8.290 nan 0.000 0.534 539 K N -0.040 120.161 120.400 -0.331 0.000 2.603 539 K HA 0.157 4.477 4.320 0.000 0.000 0.202 539 K C 1.448 177.901 176.600 -0.244 0.000 1.279 539 K CA -0.217 55.852 56.287 -0.363 0.000 1.056 539 K CB 0.551 32.749 32.500 -0.504 0.000 1.062 539 K HN 0.188 nan 8.250 nan 0.000 0.606 540 K N 1.154 121.435 120.400 -0.197 0.000 2.209 540 K HA -0.138 4.182 4.320 0.000 0.000 0.204 540 K C 1.692 178.209 176.600 -0.138 0.000 1.048 540 K CA 1.107 57.298 56.287 -0.160 0.000 0.940 540 K CB 0.259 32.680 32.500 -0.132 0.000 0.729 540 K HN 0.233 nan 8.250 nan 0.000 0.451 541 E N 1.000 121.118 120.200 -0.137 0.000 2.077 541 E HA -0.151 4.199 4.350 0.000 0.000 0.193 541 E C 1.508 178.041 176.600 -0.112 0.000 0.989 541 E CA 0.999 57.331 56.400 -0.113 0.000 0.800 541 E CB 0.025 29.660 29.700 -0.108 0.000 0.746 541 E HN 0.300 nan 8.360 nan 0.000 0.452 542 A N -0.140 122.600 122.820 -0.134 0.000 2.238 542 A HA 0.276 4.596 4.320 0.000 0.000 0.208 542 A C 1.455 178.965 177.584 -0.124 0.000 1.177 542 A CA 0.800 52.764 52.037 -0.122 0.000 0.804 542 A CB -0.261 18.659 19.000 -0.133 0.000 0.823 542 A HN 0.451 nan 8.150 nan 0.000 0.482 543 G N -0.611 108.107 108.800 -0.135 0.000 2.149 543 G HA2 -0.198 3.762 3.960 0.000 0.000 0.235 543 G HA3 -0.198 3.762 3.960 0.000 0.000 0.235 543 G C -0.056 174.730 174.900 -0.190 0.000 1.018 543 G CA 0.217 45.233 45.100 -0.140 0.000 0.728 543 G HN 0.547 nan 8.290 nan 0.000 0.508 544 I N 0.341 120.779 120.570 -0.221 0.000 2.388 544 I HA 0.230 4.400 4.170 0.000 0.000 0.281 544 I C -1.169 174.767 176.117 -0.302 0.000 1.046 544 I CA -2.476 58.640 61.300 -0.306 0.000 1.187 544 I CB 1.732 39.574 38.000 -0.264 0.000 1.351 544 I HN -0.144 nan 8.210 nan 0.000 0.472 545 P HA -0.114 nan 4.420 nan 0.000 0.215 545 P C 0.013 177.153 177.300 -0.266 0.000 1.157 545 P CA 1.442 64.390 63.100 -0.255 0.000 0.868 545 P CB 0.244 31.804 31.700 -0.234 0.000 0.788 546 E N -0.961 119.031 120.200 -0.347 0.000 2.191 546 E HA 0.429 4.779 4.350 0.000 0.000 0.274 546 E C -0.995 175.468 176.600 -0.229 0.000 0.948 546 E CA -0.662 55.528 56.400 -0.351 0.000 0.802 546 E CB 1.423 30.970 29.700 -0.256 0.000 1.137 546 E HN -0.037 nan 8.360 nan 0.000 0.397 547 F N 2.328 121.943 119.950 -0.558 0.000 3.228 547 F HA 0.212 4.739 4.527 0.000 0.000 0.390 547 F C -1.090 174.515 175.800 -0.326 0.000 1.235 547 F CA -0.559 57.237 58.000 -0.339 0.000 1.236 547 F CB 0.294 39.151 39.000 -0.238 0.000 1.855 547 F HN 0.340 nan 8.300 nan 0.000 0.647 548 Y N 1.526 121.639 120.300 -0.311 0.000 2.627 548 Y HA 0.153 4.703 4.550 0.000 0.000 0.339 548 Y C 0.749 176.677 175.900 0.046 0.000 1.137 548 Y CA -0.466 57.621 58.100 -0.020 0.000 1.361 548 Y CB -0.541 38.018 38.460 0.165 0.000 1.180 548 Y HN 0.370 nan 8.280 nan 0.000 0.512 549 D N -0.280 119.906 120.400 -0.358 0.000 2.390 549 D HA -0.056 4.584 4.640 0.000 0.000 0.249 549 D C -0.280 175.967 176.300 -0.088 0.000 1.144 549 D CA 0.179 53.960 54.000 -0.365 0.000 0.880 549 D CB 0.235 40.642 40.800 -0.654 0.000 1.182 549 D HN 0.269 nan 8.370 nan 0.000 0.451 550 Y N 1.046 121.182 120.300 -0.272 0.000 3.078 550 Y HA -0.244 4.306 4.550 0.000 0.000 0.202 550 Y C 0.310 176.172 175.900 -0.063 0.000 1.322 550 Y CA 0.539 58.434 58.100 -0.342 0.000 1.118 550 Y CB -1.449 36.684 38.460 -0.544 0.000 1.343 550 Y HN 0.420 nan 8.280 nan 0.000 0.499 551 D N 1.450 121.923 120.400 0.122 0.000 2.713 551 D HA 0.396 5.036 4.640 0.000 0.000 0.229 551 D C -0.273 176.124 176.300 0.161 0.000 1.136 551 D CA 0.190 54.383 54.000 0.322 0.000 1.010 551 D CB -0.366 40.720 40.800 0.477 0.000 1.084 551 D HN 0.210 nan 8.370 nan 0.000 0.495 552 V N -1.151 118.786 119.914 0.038 0.000 3.007 552 V HA 1.026 5.146 4.120 0.000 0.000 0.311 552 V C -0.726 175.353 176.094 -0.026 0.000 1.120 552 V CA -1.103 61.220 62.300 0.039 0.000 0.980 552 V CB 1.557 33.416 31.823 0.060 0.000 1.033 552 V HN 0.278 nan 8.190 nan 0.000 0.429 553 A N 3.141 126.054 122.820 0.156 0.000 2.577 553 A HA 0.801 5.121 4.320 0.000 0.000 0.297 553 A C -1.451 176.283 177.584 0.250 0.000 1.060 553 A CA -0.615 51.519 52.037 0.161 0.000 0.697 553 A CB 1.394 20.262 19.000 -0.220 0.000 1.281 553 A HN 1.057 nan 8.150 nan 0.000 0.402 554 L N 1.641 123.034 121.223 0.282 0.000 2.344 554 L HA 0.650 4.990 4.340 0.000 0.000 0.272 554 L C -0.595 176.307 176.870 0.054 0.000 1.035 554 L CA -0.667 54.281 54.840 0.180 0.000 0.807 554 L CB 1.738 43.887 42.059 0.149 0.000 1.237 554 L HN 0.622 nan 8.230 nan 0.000 0.442 555 I N 2.392 123.007 120.570 0.074 0.000 2.495 555 I HA 0.220 4.390 4.170 0.000 0.000 0.277 555 I C -0.215 175.836 176.117 -0.109 0.000 1.045 555 I CA -0.493 60.766 61.300 -0.067 0.000 1.135 555 I CB 1.426 39.368 38.000 -0.096 0.000 1.241 555 I HN 0.514 nan 8.210 nan 0.000 0.469 556 K N 7.317 127.561 120.400 -0.260 0.000 2.338 556 K HA 0.398 4.718 4.320 0.000 0.000 0.290 556 K C -0.358 176.082 176.600 -0.266 0.000 1.069 556 K CA -0.378 55.560 56.287 -0.580 0.000 0.941 556 K CB 0.605 32.620 32.500 -0.808 0.000 1.023 556 K HN 0.561 nan 8.250 nan 0.000 0.477 557 L N 3.873 124.999 121.223 -0.162 0.000 2.472 557 L HA 0.087 4.427 4.340 0.000 0.000 0.260 557 L C 1.650 178.523 176.870 0.005 0.000 1.209 557 L CA 0.031 54.831 54.840 -0.067 0.000 0.817 557 L CB 0.466 42.480 42.059 -0.077 0.000 1.106 557 L HN 0.720 nan 8.230 nan 0.000 0.479 558 K N 0.330 120.727 120.400 -0.004 0.000 2.262 558 K HA 0.045 4.365 4.320 0.000 0.000 0.200 558 K C 0.031 176.666 176.600 0.059 0.000 1.049 558 K CA 0.456 56.755 56.287 0.020 0.000 0.979 558 K CB 0.331 32.828 32.500 -0.004 0.000 0.773 558 K HN 0.542 nan 8.250 nan 0.000 0.474 559 N N 1.050 119.751 118.700 0.001 0.000 2.335 559 N HA 0.111 4.851 4.740 0.000 0.000 0.304 559 N C -1.439 173.919 175.510 -0.254 0.000 1.135 559 N CA -0.540 52.478 53.050 -0.053 0.000 0.817 559 N CB 1.762 40.204 38.487 -0.076 0.000 1.294 559 N HN -0.018 nan 8.380 nan 0.000 0.497 560 K N 1.285 121.484 120.400 -0.335 0.000 2.298 560 K HA 0.278 4.598 4.320 0.000 0.000 0.280 560 K C -0.627 175.692 176.600 -0.468 0.000 1.032 560 K CA -0.305 55.577 56.287 -0.674 0.000 0.958 560 K CB 0.430 32.680 32.500 -0.417 0.000 0.978 560 K HN 0.446 nan 8.250 nan 0.000 0.472 561 L N 4.605 125.500 121.223 -0.548 0.000 2.281 561 L HA 0.220 4.560 4.340 0.000 0.000 0.285 561 L C -0.193 176.352 176.870 -0.541 0.000 1.074 561 L CA -0.674 53.903 54.840 -0.437 0.000 0.817 561 L CB 0.928 42.765 42.059 -0.369 0.000 1.168 561 L HN 0.469 nan 8.230 nan 0.000 0.434 562 K N 3.684 123.874 120.400 -0.351 0.000 2.273 562 K HA 0.264 4.584 4.320 0.000 0.000 0.287 562 K C -0.885 175.592 176.600 -0.204 0.000 1.089 562 K CA -0.224 55.890 56.287 -0.288 0.000 0.909 562 K CB 0.045 32.453 32.500 -0.153 0.000 1.123 562 K HN 0.124 nan 8.250 nan 0.000 0.473 563 Y N 0.959 121.234 120.300 -0.043 0.000 2.610 563 Y HA 0.300 4.850 4.550 0.000 0.000 0.332 563 Y C 1.447 177.330 175.900 -0.028 0.000 1.201 563 Y CA 0.367 58.449 58.100 -0.030 0.000 1.465 563 Y CB 0.332 38.785 38.460 -0.012 0.000 1.283 563 Y HN 0.697 nan 8.280 nan 0.000 0.563 564 G N 1.183 110.065 108.800 0.136 0.000 3.166 564 G HA2 0.247 4.207 3.960 0.000 0.000 0.267 564 G HA3 0.247 4.207 3.960 0.000 0.000 0.267 564 G C -0.297 174.623 174.900 0.033 0.000 1.256 564 G CA -0.761 44.374 45.100 0.058 0.000 0.859 564 G HN 0.504 nan 8.290 nan 0.000 0.590 565 Q N -0.507 119.300 119.800 0.011 0.000 2.444 565 Q HA 0.076 4.416 4.340 0.000 0.000 0.206 565 Q C 1.716 177.619 176.000 -0.161 0.000 0.948 565 Q CA 1.242 57.054 55.803 0.015 0.000 0.946 565 Q CB 0.302 29.115 28.738 0.126 0.000 1.027 565 Q HN 0.599 nan 8.270 nan 0.000 0.513 566 T N -3.706 110.725 114.554 -0.205 0.000 2.969 566 T HA 0.318 4.668 4.350 0.000 0.000 0.258 566 T C 0.508 175.124 174.700 -0.141 0.000 0.962 566 T CA -0.229 61.677 62.100 -0.323 0.000 0.903 566 T CB 0.422 69.072 68.868 -0.363 0.000 1.177 566 T HN -0.029 nan 8.240 nan 0.000 0.511 567 I N 1.435 121.979 120.570 -0.044 0.000 2.447 567 I HA 0.664 4.834 4.170 0.000 0.000 0.287 567 I C -0.604 175.600 176.117 0.144 0.000 1.023 567 I CA -1.024 60.309 61.300 0.056 0.000 1.083 567 I CB 2.064 40.108 38.000 0.074 0.000 1.245 567 I HN 0.099 nan 8.210 nan 0.000 0.434 568 R N 6.945 127.513 120.500 0.114 0.000 2.579 568 R HA 0.438 4.778 4.340 0.000 0.000 0.260 568 R C -3.017 173.304 176.300 0.035 0.000 1.103 568 R CA -1.160 54.926 56.100 -0.024 0.000 0.942 568 R CB 2.635 32.923 30.300 -0.021 0.000 1.251 568 R HN 0.179 nan 8.270 nan 0.000 0.450 569 P HA 0.154 nan 4.420 nan 0.000 0.272 569 P C -0.848 176.468 177.300 0.027 0.000 1.254 569 P CA -0.275 62.816 63.100 -0.014 0.000 0.795 569 P CB 0.552 32.173 31.700 -0.131 0.000 1.022 570 I N -0.528 120.033 120.570 -0.014 0.000 2.647 570 I HA 0.291 4.461 4.170 0.000 0.000 0.295 570 I C -0.834 175.198 176.117 -0.143 0.000 1.078 570 I CA -1.147 60.063 61.300 -0.149 0.000 1.048 570 I CB 1.331 39.130 38.000 -0.336 0.000 1.239 570 I HN 0.289 nan 8.210 nan 0.000 0.421 571 c N 7.080 125.580 118.600 -0.166 0.000 2.596 571 c HA 0.237 4.807 4.570 0.000 0.000 0.414 571 c C 0.326 174.328 174.090 -0.147 0.000 1.396 571 c CA -0.245 55.993 56.329 -0.151 0.000 1.698 571 c CB -1.163 41.262 42.510 -0.142 0.000 2.572 571 c HN 0.447 nan 8.230 nan 0.000 0.604 572 L N 5.548 126.679 121.223 -0.153 0.000 2.331 572 L HA 0.420 4.760 4.340 0.000 0.000 0.275 572 L C -2.130 174.633 176.870 -0.178 0.000 1.022 572 L CA -1.845 52.915 54.840 -0.134 0.000 0.812 572 L CB 1.193 43.220 42.059 -0.053 0.000 1.257 572 L HN 0.317 nan 8.230 nan 0.000 0.435 573 P HA -0.040 nan 4.420 nan 0.000 0.266 573 P C -0.358 176.832 177.300 -0.184 0.000 1.193 573 P CA -0.156 62.724 63.100 -0.366 0.000 0.770 573 P CB 0.258 31.304 31.700 -1.090 0.000 0.836 574 c N 0.928 119.486 118.600 -0.070 0.000 4.067 574 c HA -0.068 4.502 4.570 0.000 0.000 0.305 574 c C 0.587 174.643 174.090 -0.057 0.000 1.305 574 c CA 1.066 57.408 56.329 0.022 0.000 2.111 574 c CB -3.117 39.458 42.510 0.107 0.000 1.339 574 c HN 0.840 nan 8.230 nan 0.000 0.668 575 T N -3.850 110.610 114.554 -0.157 0.000 2.909 575 T HA 0.545 4.895 4.350 0.000 0.000 0.299 575 T C 0.642 175.241 174.700 -0.169 0.000 1.073 575 T CA -0.577 61.351 62.100 -0.286 0.000 0.999 575 T CB 1.532 70.109 68.868 -0.485 0.000 1.098 575 T HN 0.381 nan 8.240 nan 0.000 0.477 576 E N 1.269 121.378 120.200 -0.151 0.000 2.265 576 E HA -0.049 4.301 4.350 0.000 0.000 0.196 576 E C 2.075 178.617 176.600 -0.096 0.000 0.996 576 E CA 1.095 57.440 56.400 -0.092 0.000 0.832 576 E CB -0.335 29.323 29.700 -0.069 0.000 0.756 576 E HN 0.878 nan 8.360 nan 0.000 0.491 577 G N 0.526 109.247 108.800 -0.132 0.000 2.408 577 G HA2 -0.182 3.778 3.960 0.000 0.000 0.215 577 G HA3 -0.182 3.778 3.960 0.000 0.000 0.215 577 G C 1.609 176.443 174.900 -0.111 0.000 1.156 577 G CA 0.834 45.863 45.100 -0.118 0.000 0.793 577 G HN 0.156 nan 8.290 nan 0.000 0.535 578 T N 1.018 115.498 114.554 -0.123 0.000 2.904 578 T HA -0.055 4.295 4.350 0.000 0.000 0.267 578 T C 2.655 177.311 174.700 -0.073 0.000 1.059 578 T CA 1.567 63.606 62.100 -0.101 0.000 1.137 578 T CB -0.341 68.465 68.868 -0.103 0.000 0.879 578 T HN 0.252 nan 8.240 nan 0.000 0.467 579 T N 2.133 116.649 114.554 -0.063 0.000 2.720 579 T HA -0.107 4.243 4.350 0.000 0.000 0.268 579 T C 2.109 176.781 174.700 -0.047 0.000 1.037 579 T CA 1.097 63.172 62.100 -0.042 0.000 1.144 579 T CB -0.155 68.693 68.868 -0.033 0.000 0.864 579 T HN 0.400 nan 8.240 nan 0.000 0.444 580 R N 0.851 121.317 120.500 -0.057 0.000 2.115 580 R HA 0.177 4.517 4.340 0.000 0.000 0.226 580 R C 2.839 179.097 176.300 -0.069 0.000 1.100 580 R CA 0.983 57.048 56.100 -0.058 0.000 0.980 580 R CB -0.380 29.884 30.300 -0.061 0.000 0.875 580 R HN 0.349 nan 8.270 nan 0.000 0.445 581 A N 1.279 124.051 122.820 -0.080 0.000 1.933 581 A HA -0.092 4.228 4.320 0.000 0.000 0.218 581 A C 1.978 179.505 177.584 -0.095 0.000 1.175 581 A CA 1.119 53.099 52.037 -0.095 0.000 0.628 581 A CB -0.369 18.567 19.000 -0.106 0.000 0.814 581 A HN 0.187 nan 8.150 nan 0.000 0.444 582 L N -1.781 119.396 121.223 -0.077 0.000 2.591 582 L HA 0.086 4.426 4.340 0.000 0.000 0.228 582 L C 0.602 177.437 176.870 -0.058 0.000 1.133 582 L CA 0.147 54.946 54.840 -0.069 0.000 0.880 582 L CB -0.201 41.828 42.059 -0.049 0.000 1.033 582 L HN 0.412 nan 8.230 nan 0.000 0.450 583 R N -0.537 119.929 120.500 -0.057 0.000 3.770 583 R HA -0.164 4.176 4.340 0.000 0.000 0.305 583 R C -0.309 175.969 176.300 -0.037 0.000 1.184 583 R CA 0.402 56.474 56.100 -0.048 0.000 0.823 583 R CB -2.484 27.787 30.300 -0.049 0.000 1.285 583 R HN 0.310 nan 8.270 nan 0.000 0.499 584 L N 0.808 122.012 121.223 -0.033 0.000 2.379 584 L HA 0.448 4.788 4.340 0.000 0.000 0.269 584 L C -1.670 175.190 176.870 -0.016 0.000 1.084 584 L CA -2.358 52.468 54.840 -0.024 0.000 0.802 584 L CB 0.507 42.554 42.059 -0.020 0.000 1.175 584 L HN -0.268 nan 8.230 nan 0.000 0.448 585 P HA 0.033 nan 4.420 nan 0.000 0.266 585 P C -2.129 175.171 177.300 -0.001 0.000 1.193 585 P CA -0.846 62.253 63.100 -0.002 0.000 0.770 585 P CB -0.000 31.701 31.700 0.002 0.000 0.836 586 P HA -0.127 nan 4.420 nan 0.000 0.221 586 P C 0.883 178.188 177.300 0.007 0.000 1.145 586 P CA 1.522 64.623 63.100 0.002 0.000 0.795 586 P CB -0.481 31.223 31.700 0.006 0.000 0.775 587 T N -5.029 109.531 114.554 0.010 0.000 3.380 587 T HA 0.086 4.436 4.350 0.000 0.000 0.250 587 T C 0.480 175.188 174.700 0.014 0.000 1.082 587 T CA -0.121 61.987 62.100 0.013 0.000 0.968 587 T CB -1.328 67.549 68.868 0.015 0.000 1.027 587 T HN -0.091 nan 8.240 nan 0.000 0.575 588 T N 4.010 118.571 114.554 0.012 0.000 2.761 588 T HA 0.381 4.731 4.350 0.000 0.000 0.296 588 T C 0.797 175.513 174.700 0.026 0.000 0.934 588 T CA -0.397 61.712 62.100 0.015 0.000 1.091 588 T CB 0.911 69.784 68.868 0.010 0.000 0.896 588 T HN 0.653 nan 8.240 nan 0.000 0.515 589 T N -0.099 114.475 114.554 0.032 0.000 2.849 589 T HA 0.105 4.455 4.350 0.000 0.000 0.284 589 T C 1.842 176.581 174.700 0.065 0.000 1.004 589 T CA -0.882 61.245 62.100 0.045 0.000 1.021 589 T CB 0.693 69.586 68.868 0.042 0.000 1.013 589 T HN 0.709 nan 8.240 nan 0.000 0.527 590 c N 1.006 119.658 118.600 0.087 0.000 2.413 590 c HA -0.084 4.486 4.570 0.000 0.000 0.277 590 c C 2.777 176.954 174.090 0.145 0.000 1.265 590 c CA 1.613 58.023 56.329 0.136 0.000 1.752 590 c CB -1.619 40.981 42.510 0.149 0.000 1.998 590 c HN 1.072 nan 8.230 nan 0.000 0.489 591 Q N 0.533 120.386 119.800 0.089 0.000 2.170 591 Q HA -0.170 4.170 4.340 0.000 0.000 0.203 591 Q C 2.225 178.233 176.000 0.014 0.000 0.976 591 Q CA 1.916 57.748 55.803 0.048 0.000 0.858 591 Q CB -0.439 28.321 28.738 0.036 0.000 0.907 591 Q HN 0.787 nan 8.270 nan 0.000 0.433 592 Q N -0.599 119.217 119.800 0.026 0.000 2.119 592 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 592 Q C 2.166 178.168 176.000 0.004 0.000 0.972 592 Q CA 1.445 57.252 55.803 0.007 0.000 0.847 592 Q CB -0.038 28.706 28.738 0.011 0.000 0.903 592 Q HN 0.550 nan 8.270 nan 0.000 0.433 593 Q N 0.687 120.518 119.800 0.052 0.000 2.119 593 Q HA -0.152 4.188 4.340 0.000 0.000 0.201 593 Q C 1.953 177.966 176.000 0.022 0.000 0.972 593 Q CA 0.964 56.821 55.803 0.090 0.000 0.847 593 Q CB -0.091 28.764 28.738 0.195 0.000 0.903 593 Q HN 0.204 nan 8.270 nan 0.000 0.433 594 K N 1.165 121.486 120.400 -0.131 0.000 2.211 594 K HA -0.166 4.154 4.320 0.000 0.000 0.203 594 K C 1.457 177.840 176.600 -0.361 0.000 1.050 594 K CA 1.129 57.020 56.287 -0.660 0.000 0.945 594 K CB 0.198 32.240 32.500 -0.762 0.000 0.732 594 K HN 0.206 nan 8.250 nan 0.000 0.451 595 E N -0.197 119.896 120.200 -0.179 0.000 2.285 595 E HA -0.158 4.192 4.350 0.000 0.000 0.194 595 E C 1.624 178.169 176.600 -0.091 0.000 0.997 595 E CA 0.734 57.063 56.400 -0.118 0.000 0.845 595 E CB 0.227 29.884 29.700 -0.072 0.000 0.782 595 E HN 0.282 nan 8.360 nan 0.000 0.491 596 E N 0.988 121.143 120.200 -0.075 0.000 2.075 596 E HA -0.030 4.320 4.350 0.000 0.000 0.190 596 E C 1.828 178.399 176.600 -0.049 0.000 0.969 596 E CA 0.677 57.046 56.400 -0.050 0.000 0.815 596 E CB 0.003 29.685 29.700 -0.030 0.000 0.776 596 E HN 0.140 nan 8.360 nan 0.000 0.457 597 L N -0.274 120.925 121.223 -0.041 0.000 2.162 597 L HA 0.131 4.471 4.340 0.000 0.000 0.205 597 L C 0.688 177.529 176.870 -0.049 0.000 1.086 597 L CA 0.540 55.373 54.840 -0.011 0.000 0.778 597 L CB 0.086 42.212 42.059 0.113 0.000 0.928 597 L HN 0.081 nan 8.230 nan 0.000 0.446 598 L N 0.618 121.763 121.223 -0.129 0.000 2.556 598 L HA 0.365 4.705 4.340 0.000 0.000 0.243 598 L C -2.391 174.408 176.870 -0.119 0.000 1.331 598 L CA -1.666 53.098 54.840 -0.127 0.000 0.927 598 L CB 0.544 42.488 42.059 -0.192 0.000 1.219 598 L HN -0.112 nan 8.230 nan 0.000 0.490 599 P HA 0.080 nan 4.420 nan 0.000 0.274 599 P C 0.110 177.384 177.300 -0.043 0.000 1.260 599 P CA -0.380 62.685 63.100 -0.059 0.000 0.793 599 P CB 0.809 32.483 31.700 -0.043 0.000 1.048 600 A N 0.550 123.350 122.820 -0.033 0.000 3.135 600 A HA 0.223 4.543 4.320 0.000 0.000 0.253 600 A C 0.426 178.000 177.584 -0.017 0.000 1.638 600 A CA 0.144 52.167 52.037 -0.023 0.000 1.295 600 A CB -1.314 17.675 19.000 -0.019 0.000 1.106 600 A HN 0.544 nan 8.150 nan 0.000 0.648 601 Q N -1.255 118.538 119.800 -0.011 0.000 2.943 601 Q HA 0.391 4.731 4.340 0.000 0.000 0.341 601 Q C -1.706 174.304 176.000 0.016 0.000 0.858 601 Q CA -1.053 54.749 55.803 -0.003 0.000 0.804 601 Q CB 0.492 29.229 28.738 -0.002 0.000 1.399 601 Q HN 0.068 nan 8.270 nan 0.000 0.511 602 D N 1.555 121.974 120.400 0.032 0.000 2.483 602 D HA 0.333 4.973 4.640 0.000 0.000 0.220 602 D C -0.222 176.171 176.300 0.155 0.000 1.173 602 D CA 0.022 54.071 54.000 0.082 0.000 0.964 602 D CB -0.195 40.629 40.800 0.040 0.000 1.046 602 D HN 0.327 nan 8.370 nan 0.000 0.517 603 I N 0.862 121.493 120.570 0.101 0.000 2.752 603 I HA -0.059 4.111 4.170 0.000 0.000 0.287 603 I C 1.150 177.290 176.117 0.038 0.000 1.188 603 I CA 0.257 61.587 61.300 0.050 0.000 1.427 603 I CB 0.540 38.542 38.000 0.005 0.000 1.365 603 I HN -0.039 nan 8.210 nan 0.000 0.585 604 K N 5.776 126.115 120.400 -0.102 0.000 2.299 604 K HA 0.644 4.964 4.320 0.000 0.000 0.268 604 K C -0.726 175.714 176.600 -0.267 0.000 1.075 604 K CA -0.293 55.771 56.287 -0.372 0.000 0.936 604 K CB 0.850 33.111 32.500 -0.398 0.000 1.228 604 K HN 0.797 nan 8.250 nan 0.000 0.454 605 A N 3.364 126.033 122.820 -0.252 0.000 2.578 605 A HA 0.862 5.182 4.320 0.000 0.000 0.255 605 A C -1.411 176.110 177.584 -0.105 0.000 1.251 605 A CA -0.749 51.210 52.037 -0.129 0.000 0.882 605 A CB 0.642 19.595 19.000 -0.079 0.000 1.416 605 A HN 0.603 nan 8.150 nan 0.000 0.462 606 L N -3.460 117.758 121.223 -0.007 0.000 2.869 606 L HA 0.879 5.219 4.340 0.000 0.000 0.265 606 L C -0.832 176.128 176.870 0.150 0.000 1.011 606 L CA -0.767 54.087 54.840 0.024 0.000 0.913 606 L CB 0.846 42.880 42.059 -0.042 0.000 1.490 606 L HN 1.098 nan 8.230 nan 0.000 0.410 607 F N -1.381 118.573 119.950 0.006 0.000 2.643 607 F HA 0.959 5.486 4.527 0.000 0.000 0.314 607 F C -1.106 174.724 175.800 0.050 0.000 1.096 607 F CA -1.498 56.524 58.000 0.036 0.000 0.953 607 F CB 1.502 40.517 39.000 0.025 0.000 1.345 607 F HN 0.315 nan 8.300 nan 0.000 0.468 608 V N 2.020 122.047 119.914 0.189 0.000 2.407 608 V HA 0.550 4.670 4.120 0.000 0.000 0.278 608 V C -0.132 176.027 176.094 0.108 0.000 1.037 608 V CA -0.238 62.083 62.300 0.036 0.000 0.900 608 V CB 0.764 32.609 31.823 0.037 0.000 0.983 608 V HN 0.918 nan 8.190 nan 0.000 0.459 609 S N 3.505 119.188 115.700 -0.029 0.000 2.568 609 S HA 0.540 5.010 4.470 0.000 0.000 0.302 609 S C -0.677 173.920 174.600 -0.005 0.000 1.082 609 S CA -0.685 57.550 58.200 0.057 0.000 1.009 609 S CB 1.703 64.934 63.200 0.051 0.000 1.069 609 S HN 0.865 nan 8.310 nan 0.000 0.500 610 E N 1.961 122.177 120.200 0.027 0.000 2.114 610 E HA 0.348 4.698 4.350 0.000 0.000 0.266 610 E C -1.330 175.278 176.600 0.013 0.000 0.896 610 E CA -0.393 56.009 56.400 0.003 0.000 0.750 610 E CB 0.894 30.605 29.700 0.018 0.000 1.121 610 E HN 0.489 nan 8.360 nan 0.000 0.413 611 E N 4.095 124.292 120.200 -0.005 0.000 2.185 611 E HA 0.134 4.484 4.350 0.000 0.000 0.261 611 E C -1.140 175.460 176.600 0.001 0.000 0.879 611 E CA -0.344 56.058 56.400 0.002 0.000 0.756 611 E CB 0.721 30.417 29.700 -0.007 0.000 1.152 611 E HN 0.561 nan 8.360 nan 0.000 0.416 612 E N 4.068 124.274 120.200 0.011 0.000 2.271 612 E HA -0.290 4.060 4.350 0.000 0.000 0.223 612 E C -0.633 175.973 176.600 0.011 0.000 1.223 612 E CA 0.812 57.219 56.400 0.011 0.000 0.704 612 E CB -1.049 28.654 29.700 0.005 0.000 1.194 612 E HN 0.782 nan 8.360 nan 0.000 0.375 613 K N -1.240 119.170 120.400 0.017 0.000 3.088 613 K HA -0.256 4.064 4.320 0.000 0.000 0.273 613 K C -0.502 176.110 176.600 0.018 0.000 1.111 613 K CA 1.365 57.667 56.287 0.024 0.000 0.803 613 K CB -0.827 31.688 32.500 0.026 0.000 1.226 613 K HN 0.309 nan 8.250 nan 0.000 0.485 614 K N 0.784 121.182 120.400 -0.003 0.000 2.507 614 K HA 0.378 4.698 4.320 0.000 0.000 0.251 614 K C -0.246 176.316 176.600 -0.063 0.000 0.943 614 K CA -0.739 55.533 56.287 -0.025 0.000 0.794 614 K CB 1.709 34.196 32.500 -0.022 0.000 1.188 614 K HN -0.025 nan 8.250 nan 0.000 0.428 615 L N 1.834 122.985 121.223 -0.120 0.000 2.416 615 L HA 0.260 4.600 4.340 0.000 0.000 0.272 615 L C 0.532 177.314 176.870 -0.146 0.000 1.161 615 L CA 0.295 55.030 54.840 -0.175 0.000 0.845 615 L CB 0.902 42.762 42.059 -0.332 0.000 1.119 615 L HN 0.640 nan 8.230 nan 0.000 0.464 616 T N 3.086 117.558 114.554 -0.137 0.000 2.923 616 T HA 0.432 4.782 4.350 0.000 0.000 0.311 616 T C -0.563 174.035 174.700 -0.170 0.000 1.183 616 T CA -0.797 61.223 62.100 -0.133 0.000 1.020 616 T CB 1.189 69.994 68.868 -0.105 0.000 1.165 616 T HN 0.559 nan 8.240 nan 0.000 0.482 617 R N 2.635 123.034 120.500 -0.168 0.000 2.459 617 R HA 0.559 4.899 4.340 0.000 0.000 0.281 617 R C -0.452 175.673 176.300 -0.293 0.000 1.050 617 R CA -0.943 55.032 56.100 -0.207 0.000 1.055 617 R CB 0.684 30.910 30.300 -0.124 0.000 1.045 617 R HN 0.299 nan 8.270 nan 0.000 0.495 618 K N 2.936 123.043 120.400 -0.489 0.000 2.572 618 K HA 0.177 4.497 4.320 0.000 0.000 0.244 618 K C -0.824 175.543 176.600 -0.388 0.000 0.965 618 K CA -0.368 55.593 56.287 -0.543 0.000 0.943 618 K CB 1.726 33.624 32.500 -1.004 0.000 1.154 618 K HN 0.587 nan 8.250 nan 0.000 0.447 619 E N 2.012 122.086 120.200 -0.210 0.000 2.324 619 E HA 0.174 4.524 4.350 0.000 0.000 0.271 619 E C 0.480 177.011 176.600 -0.115 0.000 1.028 619 E CA -0.278 56.020 56.400 -0.170 0.000 0.890 619 E CB 0.861 30.454 29.700 -0.177 0.000 1.004 619 E HN 0.362 nan 8.360 nan 0.000 0.431 620 V N 0.852 120.694 119.914 -0.120 0.000 3.119 620 V HA 0.581 4.701 4.120 0.000 0.000 0.311 620 V C -1.293 174.659 176.094 -0.237 0.000 1.259 620 V CA -1.009 61.281 62.300 -0.018 0.000 1.067 620 V CB 1.134 33.058 31.823 0.168 0.000 1.123 620 V HN 0.523 nan 8.190 nan 0.000 0.463 621 Y N -0.129 120.197 120.300 0.042 0.000 2.391 621 Y HA 0.683 5.233 4.550 0.000 0.000 0.341 621 Y C 0.015 175.918 175.900 0.005 0.000 0.965 621 Y CA -0.669 57.443 58.100 0.020 0.000 1.067 621 Y CB 1.973 40.459 38.460 0.044 0.000 1.199 621 Y HN 0.518 nan 8.280 nan 0.000 0.450 622 I N 5.044 125.684 120.570 0.117 0.000 2.337 622 I HA 0.162 4.332 4.170 0.000 0.000 0.291 622 I C -0.256 175.901 176.117 0.066 0.000 1.046 622 I CA -0.817 60.521 61.300 0.062 0.000 1.324 622 I CB 0.527 38.541 38.000 0.025 0.000 1.409 622 I HN 0.367 nan 8.210 nan 0.000 0.494 623 K N 5.608 126.029 120.400 0.035 0.000 2.083 623 K HA 0.051 4.371 4.320 0.000 0.000 0.246 623 K C 0.346 176.957 176.600 0.018 0.000 1.160 623 K CA 0.123 56.420 56.287 0.018 0.000 1.060 623 K CB -0.342 32.149 32.500 -0.014 0.000 1.417 623 K HN 0.449 nan 8.250 nan 0.000 0.329 624 N N 0.844 119.556 118.700 0.021 0.000 2.184 624 N HA 0.041 4.781 4.740 0.000 0.000 0.206 624 N C 0.683 176.197 175.510 0.006 0.000 1.151 624 N CA 0.004 53.063 53.050 0.015 0.000 0.878 624 N CB 0.690 39.181 38.487 0.007 0.000 1.014 624 N HN 0.469 nan 8.380 nan 0.000 0.512 625 G N 0.134 108.936 108.800 0.003 0.000 2.928 625 G HA2 0.006 3.966 3.960 0.000 0.000 0.163 625 G HA3 0.006 3.966 3.960 0.000 0.000 0.163 625 G C 0.471 175.367 174.900 -0.007 0.000 1.573 625 G CA 0.393 45.489 45.100 -0.007 0.000 1.084 625 G HN 0.349 nan 8.290 nan 0.000 0.569 626 D N -0.718 119.672 120.400 -0.016 0.000 2.355 626 D HA -0.012 4.628 4.640 0.000 0.000 0.218 626 D C 1.438 177.732 176.300 -0.010 0.000 1.004 626 D CA 0.529 54.520 54.000 -0.014 0.000 0.880 626 D CB 0.055 40.840 40.800 -0.025 0.000 0.911 626 D HN 0.398 nan 8.370 nan 0.000 0.528 627 K N 0.158 120.551 120.400 -0.012 0.000 2.437 627 K HA 0.086 4.406 4.320 0.000 0.000 0.198 627 K C 1.631 178.230 176.600 -0.003 0.000 1.024 627 K CA -0.161 56.119 56.287 -0.013 0.000 1.148 627 K CB 0.480 32.965 32.500 -0.026 0.000 0.860 627 K HN 0.067 nan 8.250 nan 0.000 0.515 628 K N 1.079 121.483 120.400 0.007 0.000 2.025 628 K HA -0.106 4.214 4.320 0.000 0.000 0.207 628 K C 2.033 178.654 176.600 0.034 0.000 1.049 628 K CA 1.503 57.803 56.287 0.020 0.000 0.933 628 K CB -0.170 32.347 32.500 0.029 0.000 0.714 628 K HN 0.227 nan 8.250 nan 0.000 0.438 629 G N 0.117 108.937 108.800 0.034 0.000 2.422 629 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 629 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 629 G C 1.447 176.375 174.900 0.048 0.000 1.146 629 G CA 1.037 46.163 45.100 0.044 0.000 0.769 629 G HN 0.341 nan 8.290 nan 0.000 0.547 630 S N -0.628 115.091 115.700 0.032 0.000 2.382 630 S HA -0.171 4.299 4.470 0.000 0.000 0.228 630 S C 2.241 176.865 174.600 0.039 0.000 1.027 630 S CA 1.086 59.306 58.200 0.034 0.000 0.991 630 S CB -0.475 62.733 63.200 0.013 0.000 0.823 630 S HN 0.528 nan 8.310 nan 0.000 0.469 631 c N 1.832 120.442 118.600 0.016 0.000 2.485 631 c HA 0.119 4.689 4.570 0.000 0.000 0.277 631 c C 2.409 176.520 174.090 0.034 0.000 1.376 631 c CA 0.240 56.553 56.329 -0.026 0.000 1.759 631 c CB -1.113 41.341 42.510 -0.094 0.000 1.970 631 c HN 0.565 nan 8.230 nan 0.000 0.509 632 E N 0.116 120.387 120.200 0.119 0.000 2.051 632 E HA -0.084 4.266 4.350 0.000 0.000 0.189 632 E C 2.266 178.994 176.600 0.213 0.000 0.979 632 E CA 0.712 57.263 56.400 0.252 0.000 0.803 632 E CB -0.177 29.632 29.700 0.182 0.000 0.761 632 E HN 0.569 nan 8.360 nan 0.000 0.451 633 R N 1.051 121.633 120.500 0.137 0.000 2.293 633 R HA -0.102 4.238 4.340 0.000 0.000 0.219 633 R C 0.768 177.165 176.300 0.162 0.000 1.091 633 R CA 0.813 56.980 56.100 0.112 0.000 1.004 633 R CB -0.044 30.305 30.300 0.082 0.000 0.865 633 R HN 0.112 nan 8.270 nan 0.000 0.469 634 D N 0.290 120.828 120.400 0.230 0.000 2.363 634 D HA 0.004 4.644 4.640 0.000 0.000 0.226 634 D C 1.098 177.633 176.300 0.392 0.000 1.020 634 D CA 0.361 54.573 54.000 0.354 0.000 0.892 634 D CB 0.263 41.215 40.800 0.254 0.000 0.900 634 D HN 0.201 nan 8.370 nan 0.000 0.531 635 A N 0.705 123.698 122.820 0.289 0.000 2.238 635 A HA -0.103 4.218 4.320 0.000 0.000 0.208 635 A C 1.987 179.622 177.584 0.084 0.000 1.177 635 A CA 0.293 52.454 52.037 0.208 0.000 0.804 635 A CB -0.375 18.625 19.000 -0.000 0.000 0.823 635 A HN 0.321 nan 8.150 nan 0.000 0.482 636 Q N -1.681 118.156 119.800 0.062 0.000 2.245 636 Q HA -0.111 4.229 4.340 0.000 0.000 0.201 636 Q C 1.034 176.970 176.000 -0.108 0.000 0.955 636 Q CA 1.209 56.970 55.803 -0.071 0.000 0.870 636 Q CB -0.598 27.998 28.738 -0.236 0.000 0.945 636 Q HN 0.682 nan 8.270 nan 0.000 0.461 637 Y N 1.560 121.883 120.300 0.038 0.000 2.561 637 Y HA 0.247 4.797 4.550 0.000 0.000 0.291 637 Y C 1.253 177.235 175.900 0.136 0.000 1.141 637 Y CA -0.007 58.101 58.100 0.014 0.000 1.303 637 Y CB -0.070 38.286 38.460 -0.174 0.000 1.015 637 Y HN 0.172 nan 8.280 nan 0.000 0.547 638 A N 1.402 124.409 122.820 0.312 0.000 2.445 638 A HA 0.232 4.552 4.320 0.000 0.000 0.242 638 A C -2.336 175.449 177.584 0.335 0.000 1.075 638 A CA -1.375 50.863 52.037 0.334 0.000 0.777 638 A CB -0.320 18.852 19.000 0.288 0.000 1.013 638 A HN 0.000 nan 8.150 nan 0.000 0.493 639 P HA 0.243 nan 4.420 nan 0.000 0.261 639 P C 1.052 178.412 177.300 0.099 0.000 1.203 639 P CA 1.860 65.059 63.100 0.166 0.000 0.767 639 P CB 0.528 32.310 31.700 0.138 0.000 0.785 640 G N 2.819 111.614 108.800 -0.009 0.000 2.284 640 G HA2 -0.330 3.630 3.960 0.000 0.000 0.230 640 G HA3 -0.330 3.630 3.960 0.000 0.000 0.230 640 G C 0.540 175.270 174.900 -0.283 0.000 1.021 640 G CA -0.307 44.676 45.100 -0.195 0.000 0.619 640 G HN 0.471 nan 8.290 nan 0.000 0.510 641 Y N 2.493 122.754 120.300 -0.064 0.000 2.470 641 Y HA 0.241 4.791 4.550 0.000 0.000 0.284 641 Y C 2.056 177.911 175.900 -0.075 0.000 1.188 641 Y CA 0.562 58.615 58.100 -0.078 0.000 1.269 641 Y CB 0.145 38.556 38.460 -0.082 0.000 1.094 641 Y HN 0.421 nan 8.280 nan 0.000 0.518 642 D N 0.612 121.031 120.400 0.032 0.000 2.347 642 D HA -0.137 4.503 4.640 0.000 0.000 0.215 642 D C 0.680 176.953 176.300 -0.046 0.000 0.976 642 D CA 0.627 54.614 54.000 -0.021 0.000 0.884 642 D CB -0.199 40.591 40.800 -0.017 0.000 0.915 642 D HN 0.490 nan 8.370 nan 0.000 0.526 643 K N 0.066 120.439 120.400 -0.046 0.000 2.826 643 K HA 0.317 4.637 4.320 0.000 0.000 0.206 643 K C -0.641 175.929 176.600 -0.049 0.000 1.116 643 K CA -0.544 55.712 56.287 -0.052 0.000 1.045 643 K CB 0.817 33.282 32.500 -0.058 0.000 0.758 643 K HN -0.138 nan 8.250 nan 0.000 0.465 644 V N 2.614 122.511 119.914 -0.030 0.000 2.488 644 V HA 0.093 4.213 4.120 0.000 0.000 0.277 644 V C 1.071 177.154 176.094 -0.018 0.000 1.046 644 V CA -0.333 61.957 62.300 -0.017 0.000 0.986 644 V CB 1.182 33.029 31.823 0.040 0.000 0.989 644 V HN 0.388 nan 8.190 nan 0.000 0.475 645 K N 2.256 122.642 120.400 -0.023 0.000 1.973 645 K HA -0.077 4.243 4.320 0.000 0.000 0.212 645 K C 0.495 177.089 176.600 -0.010 0.000 1.047 645 K CA 1.270 57.545 56.287 -0.020 0.000 0.937 645 K CB 0.036 32.523 32.500 -0.022 0.000 0.721 645 K HN 0.649 nan 8.250 nan 0.000 0.440 646 D N 0.103 120.502 120.400 -0.002 0.000 2.349 646 D HA 0.080 4.720 4.640 0.000 0.000 0.232 646 D C 0.183 176.495 176.300 0.019 0.000 1.071 646 D CA -0.369 53.636 54.000 0.008 0.000 0.832 646 D CB 1.411 42.218 40.800 0.012 0.000 1.086 646 D HN -0.077 nan 8.370 nan 0.000 0.504 647 I N 3.206 123.786 120.570 0.017 0.000 2.756 647 I HA -0.158 4.012 4.170 0.000 0.000 0.262 647 I C 1.790 177.917 176.117 0.016 0.000 1.225 647 I CA 1.159 62.469 61.300 0.017 0.000 1.472 647 I CB -0.135 37.872 38.000 0.011 0.000 1.094 647 I HN 0.413 nan 8.210 nan 0.000 0.454 648 S N -1.036 114.681 115.700 0.030 0.000 2.607 648 S HA -0.052 4.418 4.470 0.000 0.000 0.224 648 S C 1.769 176.406 174.600 0.062 0.000 0.969 648 S CA 0.683 58.908 58.200 0.042 0.000 0.927 648 S CB -0.245 62.983 63.200 0.047 0.000 0.772 648 S HN 0.525 nan 8.310 nan 0.000 0.533 649 E N 1.734 121.974 120.200 0.068 0.000 2.276 649 E HA 0.017 4.367 4.350 0.000 0.000 0.193 649 E C 1.758 178.476 176.600 0.196 0.000 0.983 649 E CA 0.955 57.422 56.400 0.111 0.000 0.861 649 E CB 0.030 29.770 29.700 0.066 0.000 0.817 649 E HN 0.498 nan 8.360 nan 0.000 0.485 650 V N -1.830 118.158 119.914 0.123 0.000 3.506 650 V HA 0.234 4.354 4.120 0.000 0.000 0.263 650 V C 0.703 176.692 176.094 -0.176 0.000 1.203 650 V CA 0.114 62.478 62.300 0.107 0.000 1.133 650 V CB 0.494 32.381 31.823 0.107 0.000 0.802 650 V HN -0.025 nan 8.190 nan 0.000 0.459 651 V N 3.230 123.049 119.914 -0.158 0.000 2.235 651 V HA 0.339 4.459 4.120 0.000 0.000 0.266 651 V C 0.747 176.864 176.094 0.039 0.000 1.055 651 V CA 0.245 62.366 62.300 -0.299 0.000 0.844 651 V CB 0.149 31.819 31.823 -0.255 0.000 1.097 651 V HN 0.651 nan 8.190 nan 0.000 0.453 652 T N 1.725 116.430 114.554 0.252 0.000 2.856 652 T HA 0.204 4.554 4.350 0.000 0.000 0.306 652 T C -1.445 173.426 174.700 0.285 0.000 1.062 652 T CA -1.272 60.992 62.100 0.274 0.000 1.083 652 T CB 0.958 69.941 68.868 0.192 0.000 0.984 652 T HN 0.314 nan 8.240 nan 0.000 0.542 653 P HA -0.006 nan 4.420 nan 0.000 0.226 653 P C 0.742 178.070 177.300 0.046 0.000 1.146 653 P CA 0.611 63.773 63.100 0.103 0.000 0.773 653 P CB 0.006 31.750 31.700 0.074 0.000 0.772 654 R N -1.251 119.199 120.500 -0.083 0.000 2.541 654 R HA 0.229 4.569 4.340 0.000 0.000 0.245 654 R C -0.296 175.740 176.300 -0.441 0.000 1.154 654 R CA 0.043 55.951 56.100 -0.320 0.000 1.179 654 R CB -1.159 28.715 30.300 -0.708 0.000 1.189 654 R HN 0.173 nan 8.270 nan 0.000 0.526 655 F N -0.464 119.488 119.950 0.005 0.000 2.540 655 F HA 0.447 4.974 4.527 0.000 0.000 0.317 655 F C -0.178 175.685 175.800 0.105 0.000 1.104 655 F CA -1.018 57.026 58.000 0.073 0.000 0.913 655 F CB 1.596 40.661 39.000 0.109 0.000 1.170 655 F HN -0.255 nan 8.300 nan 0.000 0.450 656 L N 3.640 125.043 121.223 0.299 0.000 2.298 656 L HA 0.401 4.741 4.340 0.000 0.000 0.284 656 L C -0.695 176.273 176.870 0.163 0.000 1.013 656 L CA -0.624 54.338 54.840 0.203 0.000 0.824 656 L CB 1.498 43.648 42.059 0.153 0.000 1.221 656 L HN 0.633 nan 8.230 nan 0.000 0.418 657 c N 3.525 122.146 118.600 0.035 0.000 2.435 657 c HA 0.723 5.293 4.570 0.000 0.000 0.375 657 c C 0.930 174.916 174.090 -0.173 0.000 1.281 657 c CA -0.046 56.126 56.329 -0.262 0.000 1.963 657 c CB 0.132 42.460 42.510 -0.303 0.000 2.490 657 c HN 0.942 nan 8.230 nan 0.000 0.557 658 T N 2.504 116.910 114.554 -0.248 0.000 2.742 658 T HA 0.875 5.225 4.350 0.000 0.000 0.282 658 T C 0.126 174.734 174.700 -0.154 0.000 1.025 658 T CA 0.330 62.376 62.100 -0.090 0.000 1.020 658 T CB 0.845 69.755 68.868 0.071 0.000 1.317 658 T HN 2.356 nan 8.240 nan 0.000 0.538 659 G N -1.381 107.399 108.800 -0.034 0.000 2.819 659 G HA2 0.435 4.395 3.960 0.000 0.000 0.682 659 G HA3 0.435 4.395 3.960 0.000 0.000 0.682 659 G C 0.221 175.089 174.900 -0.052 0.000 1.481 659 G CA 0.055 45.133 45.100 -0.035 0.000 0.904 659 G HN 2.639 nan 8.290 nan 0.000 0.563 660 G N -2.372 106.409 108.800 -0.032 0.000 2.278 660 G HA2 0.495 4.456 3.960 0.000 0.000 0.265 660 G HA3 0.495 4.456 3.960 0.000 0.000 0.265 660 G C 0.741 175.630 174.900 -0.019 0.000 1.329 660 G CA 1.377 46.451 45.100 -0.044 0.000 1.017 660 G HN 2.355 nan 8.290 nan 0.000 0.472 661 V N -3.425 116.469 119.914 -0.033 0.000 3.612 661 V HA 0.652 4.772 4.120 0.000 0.000 0.268 661 V C 0.830 176.886 176.094 -0.063 0.000 1.365 661 V CA 1.451 63.731 62.300 -0.033 0.000 1.044 661 V CB 0.646 32.441 31.823 -0.046 0.000 0.820 661 V HN 1.526 nan 8.190 nan 0.000 0.444 662 S N 0.913 116.566 115.700 -0.078 0.000 2.482 662 S HA 0.686 5.156 4.470 0.000 0.000 0.303 662 S C -1.976 172.543 174.600 -0.136 0.000 1.091 662 S CA -1.076 57.042 58.200 -0.136 0.000 1.057 662 S CB 1.927 65.056 63.200 -0.118 0.000 1.031 662 S HN 0.195 nan 8.310 nan 0.000 0.485 663 P HA 0.140 nan 4.420 nan 0.000 0.225 663 P C -0.847 176.080 177.300 -0.622 0.000 1.156 663 P CA 0.961 63.804 63.100 -0.428 0.000 0.787 663 P CB 0.047 31.455 31.700 -0.486 0.000 0.802 664 Y N -1.801 118.389 120.300 -0.183 0.000 2.634 664 Y HA 0.631 5.181 4.550 0.000 0.000 0.340 664 Y C 0.237 176.137 175.900 -0.001 0.000 1.058 664 Y CA -1.863 56.199 58.100 -0.064 0.000 1.081 664 Y CB 0.788 39.244 38.460 -0.007 0.000 1.295 664 Y HN -0.376 nan 8.280 nan 0.000 0.487 665 A N 1.642 124.581 122.820 0.198 0.000 2.671 665 A HA 0.279 4.599 4.320 0.000 0.000 0.306 665 A C -1.017 176.651 177.584 0.139 0.000 1.473 665 A CA -0.491 51.616 52.037 0.117 0.000 1.155 665 A CB -1.067 17.979 19.000 0.078 0.000 1.123 665 A HN 0.555 nan 8.150 nan 0.000 0.545 666 D N 3.602 124.089 120.400 0.145 0.000 2.308 666 D HA 0.371 5.011 4.640 0.000 0.000 0.251 666 D C -2.394 173.980 176.300 0.123 0.000 1.127 666 D CA -1.168 52.927 54.000 0.159 0.000 0.876 666 D CB 0.672 41.584 40.800 0.186 0.000 1.176 666 D HN 0.249 nan 8.370 nan 0.000 0.446 667 P HA 0.091 nan 4.420 nan 0.000 0.268 667 P C -0.402 177.044 177.300 0.244 0.000 1.205 667 P CA -0.195 62.998 63.100 0.154 0.000 0.771 667 P CB 0.597 32.365 31.700 0.113 0.000 0.858 668 N N 0.118 118.918 118.700 0.167 0.000 2.495 668 N HA 0.348 5.088 4.740 0.000 0.000 0.280 668 N C -0.190 175.397 175.510 0.128 0.000 1.168 668 N CA -0.356 52.748 53.050 0.090 0.000 0.978 668 N CB 0.211 38.703 38.487 0.008 0.000 1.191 668 N HN 0.363 nan 8.380 nan 0.000 0.497 669 T N -2.168 112.329 114.554 -0.095 0.000 2.889 669 T HA 0.519 4.869 4.350 0.000 0.000 0.291 669 T C 0.394 175.084 174.700 -0.016 0.000 0.995 669 T CA -0.655 61.357 62.100 -0.146 0.000 1.092 669 T CB 0.089 68.717 68.868 -0.399 0.000 0.954 669 T HN 0.370 nan 8.240 nan 0.000 0.506 670 c N 1.903 120.536 118.600 0.054 0.000 2.534 670 c HA 0.543 5.113 4.570 0.000 0.000 0.398 670 c C 2.318 176.440 174.090 0.054 0.000 1.609 670 c CA -0.883 55.481 56.329 0.059 0.000 1.916 670 c CB 0.804 43.363 42.510 0.082 0.000 1.954 670 c HN 1.169 nan 8.230 nan 0.000 0.508 671 R N 0.337 120.874 120.500 0.062 0.000 2.090 671 R HA -0.023 4.317 4.340 0.000 0.000 0.228 671 R C 1.915 178.261 176.300 0.076 0.000 1.110 671 R CA 1.734 57.877 56.100 0.072 0.000 0.973 671 R CB -0.811 29.527 30.300 0.062 0.000 0.869 671 R HN 0.928 nan 8.270 nan 0.000 0.440 672 G N -0.014 108.830 108.800 0.073 0.000 2.484 672 G HA2 -0.160 3.800 3.960 0.000 0.000 0.218 672 G HA3 -0.160 3.800 3.960 0.000 0.000 0.218 672 G C 0.582 175.534 174.900 0.086 0.000 1.130 672 G CA 0.492 45.638 45.100 0.077 0.000 0.784 672 G HN 0.323 nan 8.290 nan 0.000 0.543 673 D N 0.201 120.659 120.400 0.097 0.000 2.355 673 D HA 0.072 4.712 4.640 0.000 0.000 0.218 673 D C 1.434 177.793 176.300 0.099 0.000 1.004 673 D CA 0.097 54.169 54.000 0.121 0.000 0.880 673 D CB 0.116 41.015 40.800 0.166 0.000 0.911 673 D HN 0.173 nan 8.370 nan 0.000 0.528 674 S N -0.527 115.227 115.700 0.091 0.000 2.558 674 S HA 0.267 4.737 4.470 0.000 0.000 0.293 674 S C 1.495 176.158 174.600 0.105 0.000 1.292 674 S CA 0.920 59.190 58.200 0.118 0.000 1.063 674 S CB 0.287 63.598 63.200 0.185 0.000 0.831 674 S HN 0.483 nan 8.310 nan 0.000 0.499 675 G N 3.052 111.936 108.800 0.140 0.000 2.176 675 G HA2 -0.179 3.781 3.960 0.000 0.000 0.253 675 G HA3 -0.179 3.781 3.960 0.000 0.000 0.253 675 G C 0.529 175.518 174.900 0.148 0.000 0.979 675 G CA 0.127 45.308 45.100 0.135 0.000 0.641 675 G HN 1.308 nan 8.290 nan 0.000 0.530 676 G N 0.358 109.247 108.800 0.148 0.000 2.544 676 G HA2 0.509 4.469 3.960 0.000 0.000 0.242 676 G HA3 0.509 4.469 3.960 0.000 0.000 0.242 676 G C -2.132 172.870 174.900 0.170 0.000 1.247 676 G CA -0.430 44.774 45.100 0.173 0.000 0.840 676 G HN 0.248 nan 8.290 nan 0.000 0.578 677 P HA 0.159 nan 4.420 nan 0.000 0.281 677 P C -0.411 176.947 177.300 0.097 0.000 1.252 677 P CA -0.589 62.590 63.100 0.131 0.000 0.778 677 P CB 1.237 33.024 31.700 0.145 0.000 0.895 678 L N 5.659 126.882 121.223 -0.001 0.000 2.302 678 L HA 0.353 4.693 4.340 0.000 0.000 0.285 678 L C -0.677 176.169 176.870 -0.040 0.000 1.090 678 L CA -0.053 54.739 54.840 -0.081 0.000 0.866 678 L CB -0.910 40.976 42.059 -0.287 0.000 1.244 678 L HN 0.244 nan 8.230 nan 0.000 0.435 679 I N 4.527 125.103 120.570 0.010 0.000 2.488 679 I HA 0.382 4.552 4.170 0.000 0.000 0.299 679 I C -0.457 175.668 176.117 0.014 0.000 0.984 679 I CA -0.986 60.315 61.300 0.002 0.000 1.250 679 I CB 1.789 39.818 38.000 0.049 0.000 1.389 679 I HN 0.114 nan 8.210 nan 0.000 0.488 680 V N 4.241 124.144 119.914 -0.017 0.000 2.304 680 V HA 0.133 4.253 4.120 0.000 0.000 0.278 680 V C -0.278 175.763 176.094 -0.088 0.000 1.018 680 V CA -0.626 61.648 62.300 -0.042 0.000 0.814 680 V CB 0.703 32.495 31.823 -0.051 0.000 1.021 680 V HN 0.618 nan 8.190 nan 0.000 0.440 681 H N 5.396 124.352 119.070 -0.190 0.000 3.089 681 H HA 0.420 4.976 4.556 0.000 0.000 0.262 681 H C -0.149 175.006 175.328 -0.288 0.000 1.160 681 H CA 0.505 56.334 56.048 -0.366 0.000 1.482 681 H CB 0.136 29.674 29.762 -0.375 0.000 1.511 681 H HN 0.566 nan 8.280 nan 0.000 0.483 682 K N 3.806 123.876 120.400 -0.549 0.000 2.464 682 K HA 0.323 4.643 4.320 0.000 0.000 0.253 682 K C -0.199 176.148 176.600 -0.423 0.000 0.933 682 K CA -1.179 54.881 56.287 -0.377 0.000 0.801 682 K CB 1.933 34.308 32.500 -0.208 0.000 1.271 682 K HN 0.574 nan 8.250 nan 0.000 0.430 683 R N 0.412 120.733 120.500 -0.298 0.000 3.641 683 R HA -0.172 4.168 4.340 0.000 0.000 0.286 683 R C -0.675 175.450 176.300 -0.292 0.000 1.153 683 R CA 0.924 56.888 56.100 -0.227 0.000 0.775 683 R CB -3.156 27.042 30.300 -0.171 0.000 1.215 683 R HN 0.983 nan 8.270 nan 0.000 0.474 684 S N -1.492 113.939 115.700 -0.450 0.000 3.561 684 S HA -0.216 4.254 4.470 0.000 0.000 0.318 684 S C 0.233 174.546 174.600 -0.478 0.000 1.181 684 S CA 1.673 59.623 58.200 -0.418 0.000 0.916 684 S CB -0.512 62.609 63.200 -0.131 0.000 0.966 684 S HN 0.438 nan 8.310 nan 0.000 0.550 685 R N -0.655 119.426 120.500 -0.698 0.000 2.854 685 R HA 0.698 5.038 4.340 0.000 0.000 0.271 685 R C -0.914 174.969 176.300 -0.695 0.000 0.994 685 R CA -0.659 55.158 56.100 -0.473 0.000 0.945 685 R CB 0.574 30.712 30.300 -0.270 0.000 1.194 685 R HN 0.166 nan 8.270 nan 0.000 0.476 686 F N 2.045 121.854 119.950 -0.235 0.000 2.403 686 F HA 0.441 4.968 4.527 0.000 0.000 0.355 686 F C 0.151 175.744 175.800 -0.344 0.000 1.119 686 F CA -0.749 57.068 58.000 -0.304 0.000 1.007 686 F CB 1.216 39.907 39.000 -0.516 0.000 1.194 686 F HN 0.055 nan 8.300 nan 0.000 0.443 687 I N 3.207 123.696 120.570 -0.134 0.000 2.362 687 I HA 0.250 4.420 4.170 0.000 0.000 0.289 687 I C -0.168 175.877 176.117 -0.119 0.000 0.994 687 I CA -0.793 60.427 61.300 -0.134 0.000 1.158 687 I CB 1.455 39.396 38.000 -0.098 0.000 1.315 687 I HN 0.627 nan 8.210 nan 0.000 0.451 688 Q N 4.882 124.593 119.800 -0.147 0.000 2.288 688 Q HA 0.341 4.681 4.340 0.000 0.000 0.258 688 Q C 0.342 176.303 176.000 -0.064 0.000 0.957 688 Q CA -0.196 55.541 55.803 -0.110 0.000 0.919 688 Q CB 1.435 30.101 28.738 -0.120 0.000 1.185 688 Q HN 0.688 nan 8.270 nan 0.000 0.408 689 V N 0.458 120.361 119.914 -0.019 0.000 3.548 689 V HA 0.587 4.707 4.120 0.000 0.000 0.279 689 V C 0.346 176.471 176.094 0.053 0.000 1.446 689 V CA 0.516 62.845 62.300 0.048 0.000 1.023 689 V CB 0.644 32.558 31.823 0.151 0.000 0.820 689 V HN 0.621 nan 8.190 nan 0.000 0.438 690 G N -0.508 108.298 108.800 0.009 0.000 2.695 690 G HA2 0.630 4.590 3.960 0.000 0.000 0.290 690 G HA3 0.630 4.590 3.960 0.000 0.000 0.290 690 G C -1.922 173.001 174.900 0.039 0.000 1.410 690 G CA -0.518 44.596 45.100 0.023 0.000 0.844 690 G HN 0.317 nan 8.290 nan 0.000 0.478 691 V N 1.157 121.135 119.914 0.106 0.000 2.525 691 V HA 0.327 4.447 4.120 0.000 0.000 0.299 691 V C 0.224 176.466 176.094 0.247 0.000 1.034 691 V CA -0.603 61.787 62.300 0.150 0.000 0.863 691 V CB 1.548 33.456 31.823 0.142 0.000 0.999 691 V HN 0.701 nan 8.190 nan 0.000 0.423 692 I N 3.483 124.227 120.570 0.290 0.000 2.845 692 I HA -0.054 4.116 4.170 0.000 0.000 0.290 692 I C 1.331 177.542 176.117 0.157 0.000 1.202 692 I CA 0.878 62.338 61.300 0.267 0.000 1.406 692 I CB 0.635 38.713 38.000 0.130 0.000 1.383 692 I HN 0.810 nan 8.210 nan 0.000 0.549 693 S N 7.998 123.725 115.700 0.045 0.000 2.583 693 S HA 0.248 4.718 4.470 0.000 0.000 0.203 693 S C -0.283 174.275 174.600 -0.070 0.000 0.952 693 S CA -0.165 58.118 58.200 0.139 0.000 0.887 693 S CB 0.491 63.876 63.200 0.307 0.000 0.857 693 S HN 0.708 nan 8.310 nan 0.000 0.611 694 W N 0.381 121.457 121.300 -0.372 0.000 3.118 694 W HA 0.723 5.383 4.660 0.000 0.000 0.328 694 W C -0.555 175.827 176.519 -0.228 0.000 1.239 694 W CA -1.093 55.954 57.345 -0.497 0.000 1.176 694 W CB 0.427 29.294 29.460 -0.989 0.000 1.433 694 W HN 0.415 nan 8.180 nan 0.000 0.562 695 G N 0.286 109.084 108.800 -0.002 0.000 2.473 695 G HA2 0.481 4.441 3.960 0.000 0.000 0.321 695 G HA3 0.481 4.441 3.960 0.000 0.000 0.321 695 G C -0.244 174.761 174.900 0.175 0.000 1.200 695 G CA -0.674 44.386 45.100 -0.066 0.000 0.963 695 G HN 0.364 nan 8.290 nan 0.000 0.483 696 V N 0.250 120.235 119.914 0.118 0.000 2.283 696 V HA -0.001 4.120 4.120 0.000 0.000 0.243 696 V C 0.929 177.144 176.094 0.201 0.000 1.039 696 V CA 1.018 63.469 62.300 0.252 0.000 1.016 696 V CB -0.258 31.709 31.823 0.240 0.000 0.650 696 V HN 0.350 nan 8.190 nan 0.000 0.449 697 V N 1.208 121.182 119.914 0.100 0.000 2.378 697 V HA 0.348 4.468 4.120 0.000 0.000 0.288 697 V C -0.717 175.402 176.094 0.042 0.000 1.016 697 V CA -0.809 61.534 62.300 0.073 0.000 0.840 697 V CB 1.519 33.343 31.823 0.002 0.000 0.994 697 V HN 0.360 nan 8.190 nan 0.000 0.431 698 D N 3.862 124.298 120.400 0.060 0.000 2.363 698 D HA 0.100 4.740 4.640 0.000 0.000 0.263 698 D C 0.787 177.106 176.300 0.031 0.000 1.258 698 D CA 0.144 54.172 54.000 0.047 0.000 0.907 698 D CB 1.570 42.405 40.800 0.059 0.000 1.107 698 D HN 0.450 nan 8.370 nan 0.000 0.495 699 V N 1.426 121.353 119.914 0.022 0.000 3.483 699 V HA 0.324 4.444 4.120 0.000 0.000 0.301 699 V C 0.085 176.195 176.094 0.027 0.000 1.389 699 V CA -0.463 61.848 62.300 0.018 0.000 1.101 699 V CB -0.632 31.195 31.823 0.008 0.000 0.971 699 V HN 0.509 nan 8.190 nan 0.000 0.434 700 c N 1.145 119.766 118.600 0.034 0.000 2.364 700 c HA 0.630 5.200 4.570 0.000 0.000 0.324 700 c C 0.429 174.542 174.090 0.038 0.000 1.234 700 c CA -0.624 55.728 56.329 0.039 0.000 1.417 700 c CB 1.180 43.719 42.510 0.048 0.000 2.101 700 c HN 0.538 nan 8.230 nan 0.000 0.466 701 K N 2.047 122.467 120.400 0.035 0.000 2.972 701 K HA 0.167 4.487 4.320 0.000 0.000 0.209 701 K C 0.060 176.680 176.600 0.034 0.000 1.128 701 K CA -0.235 56.072 56.287 0.033 0.000 1.024 701 K CB 0.113 32.632 32.500 0.030 0.000 0.754 701 K HN 0.655 nan 8.250 nan 0.000 0.454 702 N N 1.429 120.152 118.700 0.038 0.000 2.713 702 N HA -0.272 4.468 4.740 0.000 0.000 0.251 702 N C 0.557 176.088 175.510 0.034 0.000 1.117 702 N CA 1.571 54.645 53.050 0.040 0.000 0.770 702 N CB -0.903 37.611 38.487 0.045 0.000 1.137 702 N HN 0.632 nan 8.380 nan 0.000 0.566 703 Q N -0.661 119.157 119.800 0.030 0.000 2.341 703 Q HA 0.244 4.584 4.340 0.000 0.000 0.173 703 Q C -0.501 175.513 176.000 0.023 0.000 0.659 703 Q CA 0.258 56.076 55.803 0.025 0.000 0.776 703 Q CB 0.781 29.533 28.738 0.023 0.000 1.108 703 Q HN 0.253 nan 8.270 nan 0.000 0.538 704 K N 0.086 120.499 120.400 0.022 0.000 2.439 704 K HA 0.483 4.803 4.320 0.000 0.000 0.260 704 K C -1.170 175.442 176.600 0.021 0.000 1.032 704 K CA -0.974 55.324 56.287 0.019 0.000 0.882 704 K CB 1.481 33.990 32.500 0.015 0.000 1.420 704 K HN 0.018 nan 8.250 nan 0.000 0.455 705 R N 1.710 122.221 120.500 0.019 0.000 2.490 705 R HA 0.028 4.368 4.340 0.000 0.000 0.280 705 R C 0.965 177.273 176.300 0.015 0.000 1.077 705 R CA 0.048 56.160 56.100 0.020 0.000 1.065 705 R CB 0.855 31.167 30.300 0.020 0.000 1.003 705 R HN 0.694 nan 8.270 nan 0.000 0.470 706 Q N 2.788 122.596 119.800 0.013 0.000 2.096 706 Q HA -0.271 4.069 4.340 0.000 0.000 0.208 706 Q C 0.137 176.138 176.000 0.002 0.000 0.993 706 Q CA 2.654 58.460 55.803 0.006 0.000 0.862 706 Q CB 0.073 28.810 28.738 -0.002 0.000 0.915 706 Q HN 0.723 nan 8.270 nan 0.000 0.416 707 K N -2.998 117.402 120.400 0.001 0.000 3.658 707 K HA -0.229 4.091 4.320 0.000 0.000 0.372 707 K C 0.093 176.688 176.600 -0.008 0.000 0.598 707 K CA 1.648 57.935 56.287 -0.001 0.000 1.635 707 K CB -1.226 31.275 32.500 0.002 0.000 1.178 707 K HN 0.290 nan 8.250 nan 0.000 0.470 708 Q N 1.357 121.150 119.800 -0.012 0.000 2.640 708 Q HA 0.177 4.517 4.340 0.000 0.000 0.389 708 Q C -0.245 175.732 176.000 -0.038 0.000 1.012 708 Q CA 0.122 55.914 55.803 -0.019 0.000 1.060 708 Q CB 0.529 29.260 28.738 -0.012 0.000 1.332 708 Q HN 0.381 nan 8.270 nan 0.000 0.418 709 V N -0.789 119.097 119.914 -0.048 0.000 2.655 709 V HA 0.329 4.449 4.120 0.000 0.000 0.300 709 V C -2.038 173.976 176.094 -0.133 0.000 1.044 709 V CA -1.490 60.760 62.300 -0.084 0.000 1.095 709 V CB -0.363 31.417 31.823 -0.072 0.000 0.952 709 V HN 0.138 nan 8.190 nan 0.000 0.485 710 P HA 0.345 nan 4.420 nan 0.000 0.271 710 P C 0.520 177.616 177.300 -0.339 0.000 1.233 710 P CA 0.045 62.930 63.100 -0.359 0.000 0.789 710 P CB 0.665 31.877 31.700 -0.812 0.000 0.951 711 A N 0.680 123.349 122.820 -0.252 0.000 2.238 711 A HA -0.061 4.259 4.320 0.000 0.000 0.208 711 A C 0.948 178.448 177.584 -0.139 0.000 1.177 711 A CA 0.933 52.882 52.037 -0.147 0.000 0.804 711 A CB -1.282 17.678 19.000 -0.068 0.000 0.823 711 A HN 0.816 nan 8.150 nan 0.000 0.482 712 H N -3.784 115.166 119.070 -0.200 0.000 2.784 712 H HA 0.633 5.189 4.556 0.000 0.000 0.273 712 H C 0.517 175.762 175.328 -0.138 0.000 1.112 712 H CA 0.100 56.014 56.048 -0.224 0.000 1.162 712 H CB -0.352 29.085 29.762 -0.542 0.000 1.586 712 H HN 0.179 nan 8.280 nan 0.000 0.548 713 A N 2.605 125.231 122.820 -0.324 0.000 2.785 713 A HA 0.228 4.548 4.320 0.000 0.000 0.294 713 A C 0.041 177.538 177.584 -0.145 0.000 1.597 713 A CA -0.570 51.349 52.037 -0.197 0.000 1.283 713 A CB -0.382 18.494 19.000 -0.207 0.000 1.088 713 A HN 0.295 nan 8.150 nan 0.000 0.568 714 R N 1.361 121.776 120.500 -0.142 0.000 2.596 714 R HA 0.538 4.878 4.340 0.000 0.000 0.267 714 R C -1.290 174.743 176.300 -0.445 0.000 1.026 714 R CA -0.684 55.230 56.100 -0.311 0.000 1.087 714 R CB 0.784 30.831 30.300 -0.422 0.000 1.132 714 R HN 0.496 nan 8.270 nan 0.000 0.531 715 D N 0.932 120.957 120.400 -0.626 0.000 2.649 715 D HA 0.376 5.016 4.640 0.000 0.000 0.249 715 D C -0.737 174.936 176.300 -1.045 0.000 1.112 715 D CA -0.251 53.331 54.000 -0.697 0.000 0.850 715 D CB 1.206 41.717 40.800 -0.480 0.000 1.399 715 D HN 0.152 nan 8.370 nan 0.000 0.503 716 F N 1.391 120.735 119.950 -1.010 0.000 2.458 716 F HA 0.430 4.957 4.527 0.000 0.000 0.330 716 F C 1.058 176.350 175.800 -0.847 0.000 1.082 716 F CA -0.497 56.974 58.000 -0.882 0.000 0.995 716 F CB 1.591 39.861 39.000 -1.216 0.000 1.170 716 F HN 0.181 nan 8.300 nan 0.000 0.478 717 H N 1.986 121.119 119.070 0.106 0.000 2.949 717 H HA 0.518 5.074 4.556 0.000 0.000 0.310 717 H C -1.026 174.320 175.328 0.031 0.000 1.405 717 H CA -0.785 55.296 56.048 0.055 0.000 1.253 717 H CB 2.236 31.993 29.762 -0.009 0.000 1.932 717 H HN 0.204 nan 8.280 nan 0.000 0.602 718 I N 2.365 122.990 120.570 0.091 0.000 2.354 718 I HA 0.036 4.206 4.170 0.000 0.000 0.286 718 I C 0.427 176.534 176.117 -0.017 0.000 1.007 718 I CA -0.749 60.485 61.300 -0.110 0.000 1.167 718 I CB 0.344 38.269 38.000 -0.125 0.000 1.320 718 I HN 0.407 nan 8.210 nan 0.000 0.458 719 N N 6.296 124.984 118.700 -0.022 0.000 2.434 719 N HA 0.054 4.794 4.740 0.000 0.000 0.268 719 N C 0.953 176.515 175.510 0.086 0.000 1.256 719 N CA 0.232 53.331 53.050 0.082 0.000 0.914 719 N CB 0.827 39.382 38.487 0.112 0.000 1.088 719 N HN 0.530 nan 8.380 nan 0.000 0.478 720 L N 3.027 124.300 121.223 0.084 0.000 2.201 720 L HA -0.101 4.239 4.340 0.000 0.000 0.212 720 L C 1.299 178.158 176.870 -0.017 0.000 1.105 720 L CA 0.774 55.617 54.840 0.005 0.000 0.775 720 L CB -0.330 41.671 42.059 -0.097 0.000 0.913 720 L HN 0.514 nan 8.230 nan 0.000 0.440 721 F N -0.192 119.794 119.950 0.061 0.000 2.546 721 F HA -0.148 4.379 4.527 0.000 0.000 0.298 721 F C 2.473 178.318 175.800 0.076 0.000 1.120 721 F CA 0.760 58.800 58.000 0.067 0.000 1.456 721 F CB -0.127 38.901 39.000 0.048 0.000 1.088 721 F HN 0.149 nan 8.300 nan 0.000 0.572 722 Q N -0.435 119.492 119.800 0.212 0.000 2.391 722 Q HA 0.101 4.441 4.340 0.000 0.000 0.211 722 Q C 1.723 177.850 176.000 0.212 0.000 0.908 722 Q CA 0.823 56.727 55.803 0.168 0.000 0.920 722 Q CB 0.255 29.032 28.738 0.066 0.000 1.056 722 Q HN 0.416 nan 8.270 nan 0.000 0.523 723 V N -2.272 117.762 119.914 0.201 0.000 3.099 723 V HA 0.209 4.329 4.120 0.000 0.000 0.356 723 V C 1.539 177.797 176.094 0.274 0.000 1.364 723 V CA 0.068 62.551 62.300 0.305 0.000 1.229 723 V CB -0.828 31.175 31.823 0.300 0.000 1.227 723 V HN 0.042 nan 8.190 nan 0.000 0.493 724 L N 0.160 121.482 121.223 0.165 0.000 2.017 724 L HA 0.004 4.344 4.340 0.000 0.000 0.208 724 L C 0.098 176.977 176.870 0.015 0.000 1.073 724 L CA 1.860 56.739 54.840 0.066 0.000 0.745 724 L CB -1.720 40.379 42.059 0.067 0.000 0.894 724 L HN 0.365 nan 8.230 nan 0.000 0.432 725 P HA -0.229 nan 4.420 nan 0.000 0.217 725 P C 1.107 178.425 177.300 0.031 0.000 1.148 725 P CA 1.416 64.539 63.100 0.038 0.000 0.828 725 P CB -0.093 31.661 31.700 0.090 0.000 0.783 726 W N -0.017 121.242 121.300 -0.068 0.000 2.453 726 W HA -0.002 4.658 4.660 0.000 0.000 0.289 726 W C 1.835 178.250 176.519 -0.174 0.000 1.215 726 W CA 0.996 58.277 57.345 -0.106 0.000 1.297 726 W CB -0.771 28.674 29.460 -0.024 0.000 1.113 726 W HN -0.228 nan 8.180 nan 0.000 0.551 727 L N 0.796 121.873 121.223 -0.244 0.000 2.072 727 L HA -0.156 4.184 4.340 0.000 0.000 0.205 727 L C 2.580 178.944 176.870 -0.843 0.000 1.079 727 L CA 1.674 56.180 54.840 -0.556 0.000 0.752 727 L CB -0.969 40.931 42.059 -0.264 0.000 0.906 727 L HN -0.097 nan 8.230 nan 0.000 0.436 728 K N 0.418 120.303 120.400 -0.858 0.000 2.147 728 K HA -0.236 4.085 4.320 0.000 0.000 0.205 728 K C 2.025 178.259 176.600 -0.609 0.000 1.049 728 K CA 1.477 57.130 56.287 -1.057 0.000 0.936 728 K CB 0.122 32.245 32.500 -0.628 0.000 0.722 728 K HN 0.310 nan 8.250 nan 0.000 0.446 729 E N 0.093 120.013 120.200 -0.465 0.000 2.086 729 E HA -0.107 4.243 4.350 0.000 0.000 0.190 729 E C 1.410 177.771 176.600 -0.399 0.000 0.975 729 E CA 0.651 56.848 56.400 -0.338 0.000 0.813 729 E CB 0.294 29.851 29.700 -0.238 0.000 0.768 729 E HN 0.074 nan 8.360 nan 0.000 0.457 730 K N 0.218 120.259 120.400 -0.599 0.000 2.366 730 K HA 0.027 4.347 4.320 0.000 0.000 0.198 730 K C 1.260 177.411 176.600 -0.748 0.000 1.044 730 K CA 0.540 56.422 56.287 -0.675 0.000 0.973 730 K CB 0.252 32.167 32.500 -0.974 0.000 0.767 730 K HN 0.273 nan 8.250 nan 0.000 0.475 731 L N 1.821 122.664 121.223 -0.635 0.000 3.141 731 L HA 0.158 4.498 4.340 0.000 0.000 0.267 731 L C 1.722 178.500 176.870 -0.153 0.000 1.281 731 L CA -0.188 54.392 54.840 -0.433 0.000 1.037 731 L CB 0.184 42.078 42.059 -0.275 0.000 1.407 731 L HN 0.103 nan 8.230 nan 0.000 0.566 732 Q N -1.169 118.523 119.800 -0.180 0.000 2.230 732 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 732 Q C -0.181 175.818 176.000 -0.001 0.000 0.963 732 Q CA 1.015 56.778 55.803 -0.067 0.000 0.866 732 Q CB 0.037 28.718 28.738 -0.095 0.000 0.931 732 Q HN 0.282 nan 8.270 nan 0.000 0.452 733 D N 0.753 121.149 120.400 -0.006 0.000 3.058 733 D HA 0.130 4.770 4.640 0.000 0.000 0.272 733 D C -0.101 176.250 176.300 0.084 0.000 1.350 733 D CA 0.010 54.029 54.000 0.032 0.000 0.863 733 D CB 0.638 41.446 40.800 0.015 0.000 1.064 733 D HN 0.215 nan 8.370 nan 0.000 0.488 734 E N -0.018 120.243 120.200 0.102 0.000 2.676 734 E HA 0.001 4.351 4.350 0.000 0.000 0.225 734 E C -0.127 176.542 176.600 0.115 0.000 0.944 734 E CA -0.078 56.412 56.400 0.150 0.000 1.156 734 E CB 0.744 30.551 29.700 0.178 0.000 1.117 734 E HN 0.032 nan 8.360 nan 0.000 0.523 735 D N 0.786 121.237 120.400 0.084 0.000 2.708 735 D HA -0.195 4.445 4.640 0.000 0.000 0.236 735 D C 0.335 176.639 176.300 0.008 0.000 1.146 735 D CA 0.355 54.385 54.000 0.051 0.000 0.662 735 D CB -1.266 39.568 40.800 0.056 0.000 1.059 735 D HN 0.264 nan 8.370 nan 0.000 0.428 736 L N -0.412 120.798 121.223 -0.021 0.000 2.529 736 L HA 0.256 4.596 4.340 0.000 0.000 0.223 736 L C 1.784 178.463 176.870 -0.318 0.000 1.113 736 L CA 0.397 55.115 54.840 -0.202 0.000 0.861 736 L CB -0.110 41.753 42.059 -0.328 0.000 1.012 736 L HN 0.414 nan 8.230 nan 0.000 0.461 737 G N 1.228 109.944 108.800 -0.141 0.000 2.374 737 G HA2 -0.295 3.665 3.960 0.000 0.000 0.289 737 G HA3 -0.295 3.665 3.960 0.000 0.000 0.289 737 G C -0.218 174.587 174.900 -0.158 0.000 1.004 737 G CA -0.288 44.756 45.100 -0.094 0.000 1.292 737 G HN 0.092 nan 8.290 nan 0.000 0.502 738 F N -0.134 119.795 119.950 -0.036 0.000 2.429 738 F HA 0.475 5.002 4.527 0.000 0.000 0.348 738 F C 1.569 177.356 175.800 -0.021 0.000 1.109 738 F CA -0.575 57.402 58.000 -0.038 0.000 1.232 738 F CB 0.663 39.631 39.000 -0.053 0.000 1.157 738 F HN 0.176 nan 8.300 nan 0.000 0.564 739 L N 2.866 124.184 121.223 0.157 0.000 2.452 739 L HA 0.245 4.585 4.340 0.000 0.000 0.267 739 L C 1.211 178.144 176.870 0.105 0.000 1.188 739 L CA -0.346 54.554 54.840 0.100 0.000 0.821 739 L CB 0.545 42.651 42.059 0.077 0.000 1.102 739 L HN 0.887 nan 8.230 nan 0.000 0.470 740 A N 3.207 126.070 122.820 0.073 0.000 1.839 740 A HA 0.280 4.600 4.320 0.000 0.000 0.213 740 A C 1.140 178.761 177.584 0.062 0.000 1.274 740 A CA 1.107 53.179 52.037 0.059 0.000 0.608 740 A CB -0.781 18.245 19.000 0.045 0.000 0.920 740 A HN 1.245 nan 8.150 nan 0.000 0.465 741 A N 0.000 122.855 122.820 0.058 0.000 2.254 741 A HA 0.000 4.320 4.320 0.000 0.000 0.244 741 A CA 0.000 52.074 52.037 0.061 0.000 0.836 741 A CB 0.000 19.047 19.000 0.079 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486