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 2xgm_1_B DATA FIRST_RESID 27 DATA SEQUENCE LMLADAELGM GDTTAGEMAV QRGLALHPGH PEAVARLGRV RWTQQRHAEA DATA SEQUENCE AVLLQQASDA APEHPGIALW LGHALEDAGQ AEAAAAAYTR AHQLLPEEPY DATA SEQUENCE ITAQLLNWRR RLCDWRALDV LSAQVRAAVA QGVGAVEPFA FLSEDASAAE DATA SEQUENCE QLACARTRAQ AIAASVRPLA PTRVRSKGPL RVGFVSNGFG AHPTGLLTVA DATA SEQUENCE LFEALQRRQP DLQMHLFATS GDDGSTLRTR LAQASTLHDV TALGHLATAK DATA SEQUENCE HIRHHGIDLL FDLRGWGGGG RPEVFALRPA PVQVNWLAYP GTSGAPWMDY DATA SEQUENCE VLGDAFALPP ALEPFYSEHV LRLQGAFQPS DTSRVVAEPP SRTQCGLPEQ DATA SEQUENCE GVVLCCFNNS YKLNPQSMAR MLAVLREVPD SVLWLLSGPG EADARLRAFA DATA SEQUENCE HAQGVDAQRL VFMPKLPHPQ YLARYRHADL FLDTHPYNAH TTASDALWTG DATA SEQUENCE CPVLTTPGET FAARVAGSLN HHLGLDEMNV ADDAAFVAKA VALASDPAAL DATA SEQUENCE TALHARVDVL RRASGVFHMD GFADDFGALL QALARRHGWL GI 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.892 176.870 0.036 0.000 1.165 27 L CA 0.000 54.852 54.840 0.020 0.000 0.813 27 L CB 0.000 42.067 42.059 0.014 0.000 0.961 28 M N -0.649 118.970 119.600 0.031 0.000 2.534 28 M HA 0.249 4.730 4.480 0.002 0.000 0.263 28 M C 1.509 177.830 176.300 0.035 0.000 1.152 28 M CA 0.590 55.914 55.300 0.040 0.000 1.145 28 M CB -0.010 32.610 32.600 0.033 0.000 1.333 28 M HN 0.334 nan 8.290 nan 0.000 0.477 29 L N 0.966 122.203 121.223 0.024 0.000 2.786 29 L HA -0.007 4.334 4.340 0.002 0.000 0.250 29 L C 1.742 178.623 176.870 0.018 0.000 1.151 29 L CA 0.280 55.131 54.840 0.018 0.000 0.910 29 L CB -0.328 41.737 42.059 0.011 0.000 1.082 29 L HN 0.173 nan 8.230 nan 0.000 0.433 30 A N -1.359 121.477 122.820 0.027 0.000 1.969 30 A HA 0.013 4.334 4.320 0.002 0.000 0.205 30 A C 1.734 179.334 177.584 0.026 0.000 1.364 30 A CA 0.603 52.654 52.037 0.022 0.000 0.756 30 A CB -0.292 18.724 19.000 0.026 0.000 0.988 30 A HN 0.380 nan 8.150 nan 0.000 0.490 31 D N 0.844 121.274 120.400 0.051 0.000 2.354 31 D HA 0.042 4.683 4.640 0.002 0.000 0.216 31 D C 1.863 178.191 176.300 0.046 0.000 0.970 31 D CA 1.023 55.063 54.000 0.067 0.000 0.905 31 D CB -0.014 40.853 40.800 0.113 0.000 0.903 31 D HN 0.475 nan 8.370 nan 0.000 0.508 32 A N 0.992 123.832 122.820 0.033 0.000 1.836 32 A HA -0.201 4.120 4.320 0.002 0.000 0.212 32 A C 2.043 179.637 177.584 0.016 0.000 1.243 32 A CA 1.388 53.439 52.037 0.023 0.000 0.620 32 A CB -0.826 18.185 19.000 0.017 0.000 0.889 32 A HN 0.111 nan 8.150 nan 0.000 0.463 33 E N 0.143 120.349 120.200 0.010 0.000 2.070 33 E HA -0.205 4.147 4.350 0.002 0.000 0.197 33 E C 1.923 178.525 176.600 0.004 0.000 1.004 33 E CA 1.124 57.526 56.400 0.004 0.000 0.805 33 E CB -0.403 29.296 29.700 -0.001 0.000 0.744 33 E HN 0.462 nan 8.360 nan 0.000 0.451 34 L N 1.024 122.250 121.223 0.004 0.000 2.171 34 L HA -0.209 4.132 4.340 0.002 0.000 0.216 34 L C 2.002 178.880 176.870 0.013 0.000 1.084 34 L CA 2.345 57.189 54.840 0.006 0.000 0.771 34 L CB -1.307 40.751 42.059 -0.002 0.000 0.890 34 L HN 0.315 nan 8.230 nan 0.000 0.437 35 G N -0.843 107.967 108.800 0.016 0.000 2.443 35 G HA2 -0.223 3.738 3.960 0.002 0.000 0.219 35 G HA3 -0.223 3.738 3.960 0.002 0.000 0.219 35 G C 1.414 176.323 174.900 0.015 0.000 1.131 35 G CA 0.934 46.047 45.100 0.021 0.000 0.775 35 G HN 0.501 nan 8.290 nan 0.000 0.547 36 M N -1.615 117.989 119.600 0.006 0.000 2.112 36 M HA 0.303 4.784 4.480 0.002 0.000 0.397 36 M C 0.277 176.567 176.300 -0.017 0.000 0.854 36 M CA 0.398 55.696 55.300 -0.003 0.000 1.097 36 M CB 2.113 34.714 32.600 0.002 0.000 2.136 36 M HN 0.140 nan 8.290 nan 0.000 0.720 37 G N 0.974 109.763 108.800 -0.018 0.000 2.902 37 G HA2 0.167 4.128 3.960 0.002 0.000 0.293 37 G HA3 0.167 4.128 3.960 0.002 0.000 0.293 37 G C -1.771 173.121 174.900 -0.014 0.000 3.296 37 G CA -0.814 44.280 45.100 -0.010 0.000 0.614 37 G HN 0.054 nan 8.290 nan 0.000 0.354 38 D N 1.772 122.164 120.400 -0.013 0.000 2.586 38 D HA 0.396 5.038 4.640 0.002 0.000 0.234 38 D C 0.808 177.099 176.300 -0.014 0.000 1.132 38 D CA 1.692 55.683 54.000 -0.015 0.000 0.860 38 D CB 0.670 41.462 40.800 -0.013 0.000 1.159 38 D HN 0.572 nan 8.370 nan 0.000 0.490 39 T N -0.238 114.305 114.554 -0.019 0.000 2.993 39 T HA 0.601 4.953 4.350 0.002 0.000 0.312 39 T C -0.616 174.069 174.700 -0.025 0.000 1.115 39 T CA -1.009 61.079 62.100 -0.020 0.000 1.027 39 T CB 1.797 70.652 68.868 -0.022 0.000 1.116 39 T HN 0.241 nan 8.240 nan 0.000 0.464 40 T N 0.968 115.508 114.554 -0.024 0.000 3.548 40 T HA 0.594 4.945 4.350 0.002 0.000 0.329 40 T C 0.643 175.332 174.700 -0.018 0.000 0.960 40 T CA 0.947 63.035 62.100 -0.020 0.000 1.041 40 T CB 0.259 69.113 68.868 -0.023 0.000 1.065 40 T HN 2.334 nan 8.240 nan 0.000 0.459 41 A N 4.493 127.304 122.820 -0.014 0.000 1.258 41 A HA -0.137 4.185 4.320 0.002 0.000 0.283 41 A C 2.107 179.686 177.584 -0.009 0.000 1.761 41 A CA 1.546 53.577 52.037 -0.011 0.000 1.094 41 A CB -2.243 16.750 19.000 -0.012 0.000 1.471 41 A HN 1.968 nan 8.150 nan 0.000 0.723 42 G N -0.197 108.597 108.800 -0.010 0.000 2.442 42 G HA2 0.026 3.987 3.960 0.002 0.000 0.219 42 G HA3 0.026 3.987 3.960 0.002 0.000 0.219 42 G C 0.862 175.758 174.900 -0.007 0.000 1.141 42 G CA 1.576 46.671 45.100 -0.008 0.000 0.763 42 G HN 1.043 nan 8.290 nan 0.000 0.554 43 E N -0.003 120.191 120.200 -0.011 0.000 2.888 43 E HA 0.160 4.511 4.350 0.002 0.000 0.271 43 E C 1.188 177.783 176.600 -0.008 0.000 1.527 43 E CA 0.007 56.401 56.400 -0.010 0.000 1.700 43 E CB -0.175 29.516 29.700 -0.014 0.000 1.410 43 E HN 0.178 nan 8.360 nan 0.000 0.445 44 M N -0.826 118.770 119.600 -0.006 0.000 2.241 44 M HA 0.241 4.722 4.480 0.002 0.000 0.374 44 M C 0.883 177.182 176.300 -0.002 0.000 0.922 44 M CA 0.213 55.510 55.300 -0.005 0.000 1.031 44 M CB 0.898 33.495 32.600 -0.005 0.000 1.864 44 M HN 0.300 nan 8.290 nan 0.000 0.636 45 A N -0.412 122.409 122.820 0.000 0.000 2.192 45 A HA 0.279 4.600 4.320 0.002 0.000 0.208 45 A C 1.710 179.299 177.584 0.009 0.000 1.220 45 A CA 0.416 52.456 52.037 0.004 0.000 0.900 45 A CB 0.259 19.263 19.000 0.007 0.000 0.937 45 A HN 0.147 nan 8.150 nan 0.000 0.487 46 V N 0.128 120.048 119.914 0.010 0.000 3.125 46 V HA -0.051 4.071 4.120 0.002 0.000 0.249 46 V C 0.723 176.830 176.094 0.021 0.000 1.113 46 V CA 0.771 63.081 62.300 0.018 0.000 1.106 46 V CB -0.904 30.929 31.823 0.018 0.000 0.768 46 V HN 0.883 nan 8.190 nan 0.000 0.468 47 Q N 1.421 121.230 119.800 0.015 0.000 2.407 47 Q HA -0.296 4.046 4.340 0.002 0.000 0.367 47 Q C 0.962 176.964 176.000 0.003 0.000 1.337 47 Q CA 1.200 57.007 55.803 0.007 0.000 1.105 47 Q CB -1.566 27.175 28.738 0.005 0.000 1.242 47 Q HN 0.510 nan 8.270 nan 0.000 0.311 48 R N 1.917 122.417 120.500 0.001 0.000 2.127 48 R HA -0.198 4.143 4.340 0.002 0.000 0.228 48 R C 1.996 178.298 176.300 0.002 0.000 1.125 48 R CA 2.521 58.620 56.100 -0.002 0.000 0.904 48 R CB -1.231 29.064 30.300 -0.007 0.000 0.831 48 R HN 0.977 nan 8.270 nan 0.000 0.431 49 G N 1.494 110.296 108.800 0.004 0.000 3.342 49 G HA2 -0.412 3.549 3.960 0.002 0.000 0.298 49 G HA3 -0.412 3.549 3.960 0.002 0.000 0.298 49 G C 1.483 176.393 174.900 0.017 0.000 1.203 49 G CA 1.736 46.843 45.100 0.011 0.000 1.202 49 G HN 0.456 nan 8.290 nan 0.000 1.145 50 L N 1.267 122.511 121.223 0.035 0.000 2.386 50 L HA -0.163 4.178 4.340 0.002 0.000 0.220 50 L C 3.336 180.224 176.870 0.029 0.000 1.115 50 L CA 1.654 56.523 54.840 0.050 0.000 0.780 50 L CB -0.450 41.637 42.059 0.047 0.000 0.902 50 L HN 0.552 nan 8.230 nan 0.000 0.442 51 A N -0.697 122.124 122.820 0.003 0.000 1.969 51 A HA -0.137 4.184 4.320 0.002 0.000 0.218 51 A C 2.279 179.831 177.584 -0.054 0.000 1.169 51 A CA 1.293 53.320 52.037 -0.017 0.000 0.635 51 A CB -0.375 18.614 19.000 -0.019 0.000 0.810 51 A HN 0.392 nan 8.150 nan 0.000 0.445 52 L N -1.515 119.656 121.223 -0.086 0.000 2.049 52 L HA 0.037 4.379 4.340 0.002 0.000 0.203 52 L C 0.275 176.932 176.870 -0.355 0.000 1.074 52 L CA 0.782 55.491 54.840 -0.219 0.000 0.749 52 L CB -0.076 41.847 42.059 -0.228 0.000 0.907 52 L HN 0.384 nan 8.230 nan 0.000 0.439 53 H N 0.071 119.145 119.070 0.007 0.000 2.589 53 H HA 0.358 4.915 4.556 0.002 0.000 0.335 53 H C -2.223 173.145 175.328 0.067 0.000 1.019 53 H CA -2.208 53.864 56.048 0.041 0.000 1.213 53 H CB 1.457 31.247 29.762 0.047 0.000 1.472 53 H HN 0.067 nan 8.280 nan 0.000 0.508 54 P HA 0.117 nan 4.420 nan 0.000 0.276 54 P C 0.993 178.373 177.300 0.134 0.000 1.261 54 P CA 0.350 63.525 63.100 0.124 0.000 0.800 54 P CB 1.114 32.865 31.700 0.084 0.000 1.066 55 G N -0.395 108.459 108.800 0.091 0.000 2.451 55 G HA2 -0.330 3.631 3.960 0.002 0.000 0.253 55 G HA3 -0.330 3.631 3.960 0.002 0.000 0.253 55 G C 0.445 175.385 174.900 0.068 0.000 1.033 55 G CA 0.914 46.051 45.100 0.062 0.000 0.633 55 G HN 0.862 nan 8.290 nan 0.000 0.537 56 H N 2.964 122.059 119.070 0.043 0.000 3.217 56 H HA 0.285 4.842 4.556 0.003 0.000 0.272 56 H C -0.374 174.969 175.328 0.026 0.000 0.929 56 H CA -0.321 55.746 56.048 0.031 0.000 1.425 56 H CB 0.917 30.708 29.762 0.049 0.000 1.505 56 H HN 0.124 nan 8.280 nan 0.000 0.542 57 P HA -0.283 nan 4.420 nan 0.000 0.219 57 P C 1.117 178.466 177.300 0.082 0.000 1.153 57 P CA 1.404 64.479 63.100 -0.042 0.000 0.865 57 P CB 0.371 31.975 31.700 -0.160 0.000 0.788 58 E N -1.284 119.105 120.200 0.316 0.000 2.208 58 E HA -0.035 4.317 4.350 0.002 0.000 0.193 58 E C 1.955 178.666 176.600 0.184 0.000 0.988 58 E CA 1.060 57.609 56.400 0.249 0.000 0.828 58 E CB -0.270 29.609 29.700 0.297 0.000 0.763 58 E HN 0.194 nan 8.360 nan 0.000 0.478 59 A N 0.754 123.695 122.820 0.201 0.000 1.850 59 A HA -0.041 4.280 4.320 0.002 0.000 0.212 59 A C 2.518 180.164 177.584 0.104 0.000 1.208 59 A CA 0.759 52.873 52.037 0.128 0.000 0.609 59 A CB -0.730 18.345 19.000 0.124 0.000 0.860 59 A HN 0.069 nan 8.150 nan 0.000 0.448 60 V N 0.560 120.534 119.914 0.101 0.000 2.226 60 V HA -0.417 3.705 4.120 0.002 0.000 0.254 60 V C 3.040 179.176 176.094 0.071 0.000 1.065 60 V CA 2.588 64.930 62.300 0.070 0.000 1.039 60 V CB -1.542 30.312 31.823 0.053 0.000 0.653 60 V HN 0.637 nan 8.190 nan 0.000 0.450 61 A N -0.887 121.987 122.820 0.090 0.000 1.997 61 A HA -0.311 4.011 4.320 0.002 0.000 0.221 61 A C 2.353 180.016 177.584 0.131 0.000 1.172 61 A CA 2.421 54.539 52.037 0.135 0.000 0.645 61 A CB -0.592 18.511 19.000 0.172 0.000 0.813 61 A HN 0.569 nan 8.150 nan 0.000 0.454 62 R N -1.623 118.943 120.500 0.111 0.000 2.127 62 R HA 0.069 4.410 4.340 0.002 0.000 0.217 62 R C 2.045 178.334 176.300 -0.019 0.000 1.074 62 R CA 0.867 56.985 56.100 0.030 0.000 0.991 62 R CB -0.300 30.047 30.300 0.078 0.000 0.895 62 R HN 0.511 nan 8.270 nan 0.000 0.450 63 L N -0.484 120.748 121.223 0.015 0.000 2.079 63 L HA -0.042 4.300 4.340 0.002 0.000 0.210 63 L C 1.026 177.898 176.870 0.003 0.000 1.081 63 L CA 2.384 57.230 54.840 0.010 0.000 0.752 63 L CB -0.194 41.879 42.059 0.023 0.000 0.896 63 L HN 0.339 nan 8.230 nan 0.000 0.433 64 G N -3.041 105.765 108.800 0.010 0.000 2.055 64 G HA2 -0.176 3.786 3.960 0.002 0.000 0.160 64 G HA3 -0.176 3.786 3.960 0.002 0.000 0.160 64 G C 0.421 175.315 174.900 -0.009 0.000 1.087 64 G CA 0.167 45.266 45.100 -0.002 0.000 1.269 64 G HN 0.303 nan 8.290 nan 0.000 0.461 65 R N -0.905 119.521 120.500 -0.123 0.000 1.470 65 R HA -0.291 4.051 4.340 0.002 0.000 0.079 65 R C 2.395 178.664 176.300 -0.052 0.000 0.955 65 R CA 3.605 59.563 56.100 -0.237 0.000 0.737 65 R CB -1.892 28.089 30.300 -0.532 0.000 0.546 65 R HN 1.174 nan 8.270 nan 0.000 0.339 66 V N 1.033 120.926 119.914 -0.035 0.000 2.244 66 V HA -0.227 3.894 4.120 0.002 0.000 0.244 66 V C 2.404 178.503 176.094 0.007 0.000 1.042 66 V CA 2.200 64.493 62.300 -0.011 0.000 1.006 66 V CB -0.498 31.314 31.823 -0.018 0.000 0.641 66 V HN 0.294 nan 8.190 nan 0.000 0.446 67 R N -0.882 119.623 120.500 0.008 0.000 2.140 67 R HA -0.289 4.052 4.340 0.002 0.000 0.250 67 R C 1.947 178.243 176.300 -0.007 0.000 1.150 67 R CA 2.294 58.389 56.100 -0.009 0.000 0.966 67 R CB -1.314 28.993 30.300 0.011 0.000 0.869 67 R HN 0.708 nan 8.270 nan 0.000 0.445 68 W N 2.197 123.434 121.300 -0.105 0.000 2.318 68 W HA -0.256 4.405 4.660 0.002 0.000 0.313 68 W C 2.252 178.714 176.519 -0.095 0.000 1.221 68 W CA 2.885 60.187 57.345 -0.071 0.000 1.266 68 W CB -0.576 28.835 29.460 -0.082 0.000 1.150 68 W HN 0.262 nan 8.180 nan 0.000 0.496 69 T N -0.518 114.079 114.554 0.072 0.000 2.803 69 T HA -0.264 4.087 4.350 0.002 0.000 0.269 69 T C 1.058 175.623 174.700 -0.224 0.000 1.052 69 T CA 1.584 63.629 62.100 -0.092 0.000 1.136 69 T CB -0.614 68.266 68.868 0.020 0.000 0.864 69 T HN 0.399 nan 8.240 nan 0.000 0.467 70 Q N 1.863 121.543 119.800 -0.200 0.000 2.526 70 Q HA 0.211 4.553 4.340 0.002 0.000 0.353 70 Q C -0.188 175.621 176.000 -0.317 0.000 0.977 70 Q CA -0.534 55.143 55.803 -0.210 0.000 1.027 70 Q CB 0.055 28.713 28.738 -0.133 0.000 1.272 70 Q HN 0.355 nan 8.270 nan 0.000 0.420 71 Q N -0.820 118.660 119.800 -0.532 0.000 2.331 71 Q HA -0.261 4.080 4.340 0.002 0.000 0.269 71 Q C -0.447 175.100 176.000 -0.755 0.000 1.089 71 Q CA 1.184 56.426 55.803 -0.934 0.000 0.964 71 Q CB -1.861 26.599 28.738 -0.463 0.000 1.398 71 Q HN 0.552 nan 8.270 nan 0.000 0.545 72 R N 0.840 121.053 120.500 -0.478 0.000 4.394 72 R HA 0.131 4.473 4.340 0.002 0.000 0.257 72 R C 1.038 177.247 176.300 -0.151 0.000 1.727 72 R CA -0.342 55.617 56.100 -0.236 0.000 1.497 72 R CB 0.135 30.361 30.300 -0.123 0.000 1.406 72 R HN 0.317 nan 8.270 nan 0.000 0.745 73 H N 1.013 120.072 119.070 -0.019 0.000 2.319 73 H HA -0.203 4.354 4.556 0.002 0.000 0.297 73 H C 2.132 177.494 175.328 0.057 0.000 1.097 73 H CA 1.740 57.807 56.048 0.033 0.000 1.285 73 H CB -0.148 29.625 29.762 0.018 0.000 1.368 73 H HN 0.462 nan 8.280 nan 0.000 0.495 74 A N 1.258 124.165 122.820 0.145 0.000 1.894 74 A HA -0.298 4.024 4.320 0.002 0.000 0.220 74 A C 2.348 179.978 177.584 0.077 0.000 1.237 74 A CA 2.514 54.608 52.037 0.094 0.000 0.660 74 A CB -0.678 18.356 19.000 0.058 0.000 0.835 74 A HN 0.531 nan 8.150 nan 0.000 0.461 75 E N -0.932 119.302 120.200 0.056 0.000 2.216 75 E HA 0.145 4.496 4.350 0.002 0.000 0.192 75 E C 2.297 178.934 176.600 0.061 0.000 0.988 75 E CA 0.565 56.992 56.400 0.045 0.000 0.834 75 E CB -0.246 29.468 29.700 0.023 0.000 0.772 75 E HN 0.628 nan 8.360 nan 0.000 0.479 76 A N 1.776 124.650 122.820 0.090 0.000 1.869 76 A HA -0.279 4.042 4.320 0.002 0.000 0.218 76 A C 2.439 180.086 177.584 0.105 0.000 1.203 76 A CA 2.144 54.256 52.037 0.124 0.000 0.638 76 A CB -1.066 18.082 19.000 0.246 0.000 0.831 76 A HN 0.327 nan 8.150 nan 0.000 0.450 77 A N -0.730 122.160 122.820 0.116 0.000 1.892 77 A HA -0.102 4.219 4.320 0.002 0.000 0.218 77 A C 2.214 179.830 177.584 0.054 0.000 1.188 77 A CA 2.324 54.410 52.037 0.081 0.000 0.631 77 A CB -1.172 17.878 19.000 0.085 0.000 0.822 77 A HN 0.670 nan 8.150 nan 0.000 0.447 78 V N -0.380 119.564 119.914 0.051 0.000 2.626 78 V HA -0.182 3.940 4.120 0.002 0.000 0.252 78 V C 2.417 178.530 176.094 0.031 0.000 1.067 78 V CA 1.624 63.946 62.300 0.036 0.000 1.081 78 V CB -0.781 31.061 31.823 0.033 0.000 0.686 78 V HN 0.514 nan 8.190 nan 0.000 0.468 79 L N -0.896 120.349 121.223 0.037 0.000 2.084 79 L HA -0.014 4.327 4.340 0.002 0.000 0.202 79 L C 2.367 179.257 176.870 0.032 0.000 1.074 79 L CA 1.192 56.052 54.840 0.033 0.000 0.757 79 L CB -0.378 41.703 42.059 0.036 0.000 0.918 79 L HN 0.231 nan 8.230 nan 0.000 0.444 80 L N -0.322 120.925 121.223 0.040 0.000 2.127 80 L HA -0.248 4.093 4.340 0.002 0.000 0.211 80 L C 2.621 179.501 176.870 0.017 0.000 1.089 80 L CA 0.939 55.802 54.840 0.038 0.000 0.757 80 L CB -0.303 41.786 42.059 0.050 0.000 0.899 80 L HN 0.320 nan 8.230 nan 0.000 0.434 81 Q N 0.085 119.895 119.800 0.016 0.000 2.050 81 Q HA -0.275 4.067 4.340 0.002 0.000 0.202 81 Q C 2.195 178.196 176.000 0.002 0.000 0.980 81 Q CA 1.807 57.614 55.803 0.006 0.000 0.840 81 Q CB -0.228 28.517 28.738 0.012 0.000 0.898 81 Q HN 0.421 nan 8.270 nan 0.000 0.424 82 Q N -1.029 118.776 119.800 0.007 0.000 2.181 82 Q HA -0.209 4.133 4.340 0.002 0.000 0.205 82 Q C 1.720 177.717 176.000 -0.006 0.000 0.980 82 Q CA 1.540 57.345 55.803 0.003 0.000 0.862 82 Q CB -0.217 28.527 28.738 0.009 0.000 0.905 82 Q HN 0.490 nan 8.270 nan 0.000 0.429 83 A N -0.026 122.791 122.820 -0.005 0.000 1.854 83 A HA -0.130 4.191 4.320 0.002 0.000 0.214 83 A C 2.143 179.708 177.584 -0.032 0.000 1.192 83 A CA 1.557 53.582 52.037 -0.020 0.000 0.611 83 A CB -0.893 18.100 19.000 -0.012 0.000 0.832 83 A HN 0.445 nan 8.150 nan 0.000 0.442 84 S N -0.229 115.455 115.700 -0.026 0.000 2.419 84 S HA -0.173 4.299 4.470 0.002 0.000 0.233 84 S C 1.492 176.081 174.600 -0.019 0.000 1.016 84 S CA 1.677 59.860 58.200 -0.027 0.000 0.974 84 S CB -0.562 62.622 63.200 -0.027 0.000 0.786 84 S HN 0.524 nan 8.310 nan 0.000 0.492 85 D N 1.476 121.866 120.400 -0.016 0.000 2.084 85 D HA 0.056 4.697 4.640 0.002 0.000 0.196 85 D C 2.262 178.551 176.300 -0.018 0.000 0.985 85 D CA 1.450 55.442 54.000 -0.013 0.000 0.826 85 D CB -0.695 40.099 40.800 -0.009 0.000 0.978 85 D HN 0.507 nan 8.370 nan 0.000 0.456 86 A N 0.249 123.053 122.820 -0.026 0.000 1.968 86 A HA 0.257 4.578 4.320 0.002 0.000 0.217 86 A C 1.406 178.966 177.584 -0.040 0.000 1.169 86 A CA 1.299 53.314 52.037 -0.037 0.000 0.638 86 A CB 0.019 18.987 19.000 -0.053 0.000 0.812 86 A HN 0.186 nan 8.150 nan 0.000 0.446 87 A N -0.038 122.763 122.820 -0.032 0.000 2.978 87 A HA 0.587 4.908 4.320 0.002 0.000 0.341 87 A C -1.906 175.684 177.584 0.010 0.000 1.105 87 A CA -1.031 51.001 52.037 -0.009 0.000 0.819 87 A CB 0.499 19.501 19.000 0.003 0.000 1.080 87 A HN 0.194 nan 8.150 nan 0.000 0.476 88 P HA -0.022 nan 4.420 nan 0.000 0.245 88 P C 0.438 177.745 177.300 0.010 0.000 1.212 88 P CA 0.705 63.807 63.100 0.002 0.000 0.774 88 P CB 0.494 32.191 31.700 -0.004 0.000 0.999 89 E N -1.654 118.559 120.200 0.021 0.000 2.526 89 E HA -0.020 4.332 4.350 0.002 0.000 0.208 89 E C 0.157 176.774 176.600 0.028 0.000 0.997 89 E CA -0.127 56.281 56.400 0.012 0.000 0.961 89 E CB -0.906 28.789 29.700 -0.008 0.000 1.030 89 E HN 0.234 nan 8.360 nan 0.000 0.483 90 H N 3.956 122.996 119.070 -0.050 0.000 2.864 90 H HA 0.188 4.746 4.556 0.003 0.000 0.281 90 H C -1.678 173.599 175.328 -0.085 0.000 1.093 90 H CA -2.004 54.005 56.048 -0.065 0.000 1.453 90 H CB 1.518 31.243 29.762 -0.062 0.000 1.462 90 H HN -0.082 nan 8.280 nan 0.000 0.480 91 P HA -0.073 nan 4.420 nan 0.000 0.216 91 P C 1.474 178.800 177.300 0.043 0.000 1.153 91 P CA 1.346 64.475 63.100 0.048 0.000 0.844 91 P CB 0.020 31.705 31.700 -0.025 0.000 0.787 92 G N 0.109 108.975 108.800 0.110 0.000 2.432 92 G HA2 -0.191 3.771 3.960 0.002 0.000 0.219 92 G HA3 -0.191 3.771 3.960 0.002 0.000 0.219 92 G C 1.666 176.300 174.900 -0.444 0.000 1.135 92 G CA 0.398 45.374 45.100 -0.207 0.000 0.767 92 G HN 0.238 nan 8.290 nan 0.000 0.550 93 I N 1.086 121.472 120.570 -0.307 0.000 2.162 93 I HA -0.080 4.091 4.170 0.002 0.000 0.238 93 I C 3.268 179.313 176.117 -0.120 0.000 1.076 93 I CA 0.889 62.020 61.300 -0.282 0.000 1.353 93 I CB -0.249 37.535 38.000 -0.359 0.000 1.063 93 I HN 0.216 nan 8.210 nan 0.000 0.408 94 A N 0.462 123.233 122.820 -0.082 0.000 1.986 94 A HA -0.238 4.083 4.320 0.002 0.000 0.220 94 A C 2.198 179.686 177.584 -0.160 0.000 1.171 94 A CA 1.654 53.636 52.037 -0.092 0.000 0.640 94 A CB -0.700 18.267 19.000 -0.054 0.000 0.811 94 A HN 0.384 nan 8.150 nan 0.000 0.451 95 L N -1.913 119.226 121.223 -0.140 0.000 2.131 95 L HA 0.006 4.348 4.340 0.002 0.000 0.206 95 L C 2.103 178.974 176.870 0.001 0.000 1.087 95 L CA 1.317 56.082 54.840 -0.125 0.000 0.767 95 L CB -0.807 41.228 42.059 -0.040 0.000 0.917 95 L HN 0.588 nan 8.230 nan 0.000 0.441 96 W N -0.915 120.321 121.300 -0.107 0.000 2.409 96 W HA -0.089 4.572 4.660 0.002 0.000 0.299 96 W C 2.382 178.789 176.519 -0.186 0.000 1.203 96 W CA 0.644 57.904 57.345 -0.142 0.000 1.298 96 W CB -1.098 28.268 29.460 -0.156 0.000 1.127 96 W HN 0.155 nan 8.180 nan 0.000 0.528 97 L N 1.078 122.321 121.223 0.034 0.000 2.081 97 L HA -0.115 4.227 4.340 0.002 0.000 0.212 97 L C 2.363 179.135 176.870 -0.164 0.000 1.080 97 L CA 2.603 57.410 54.840 -0.054 0.000 0.754 97 L CB -1.278 40.736 42.059 -0.075 0.000 0.893 97 L HN -0.023 nan 8.230 nan 0.000 0.433 98 G N -1.807 106.769 108.800 -0.373 0.000 2.453 98 G HA2 -0.284 3.677 3.960 0.002 0.000 0.215 98 G HA3 -0.284 3.677 3.960 0.002 0.000 0.215 98 G C 1.495 176.127 174.900 -0.447 0.000 1.201 98 G CA 0.897 45.536 45.100 -0.769 0.000 0.784 98 G HN 0.566 nan 8.290 nan 0.000 0.545 99 H N 0.909 119.860 119.070 -0.198 0.000 2.456 99 H HA 0.044 4.601 4.556 0.002 0.000 0.296 99 H C 2.829 178.143 175.328 -0.025 0.000 1.079 99 H CA 1.005 57.001 56.048 -0.087 0.000 1.322 99 H CB -0.258 29.399 29.762 -0.176 0.000 1.388 99 H HN 0.391 nan 8.280 nan 0.000 0.538 100 A N 1.490 124.333 122.820 0.038 0.000 1.823 100 A HA -0.138 4.183 4.320 0.002 0.000 0.214 100 A C 2.641 180.313 177.584 0.147 0.000 1.227 100 A CA 1.193 53.322 52.037 0.153 0.000 0.616 100 A CB -1.124 17.930 19.000 0.089 0.000 0.874 100 A HN 0.276 nan 8.150 nan 0.000 0.455 101 L N -0.282 120.979 121.223 0.062 0.000 2.085 101 L HA -0.361 3.981 4.340 0.002 0.000 0.218 101 L C 2.694 179.607 176.870 0.072 0.000 1.080 101 L CA 2.316 57.189 54.840 0.056 0.000 0.776 101 L CB -0.759 41.311 42.059 0.018 0.000 0.891 101 L HN 0.762 nan 8.230 nan 0.000 0.437 102 E N 0.264 120.490 120.200 0.043 0.000 2.038 102 E HA -0.263 4.089 4.350 0.002 0.000 0.195 102 E C 1.409 178.063 176.600 0.090 0.000 1.000 102 E CA 1.780 58.215 56.400 0.059 0.000 0.803 102 E CB -0.020 29.618 29.700 -0.104 0.000 0.750 102 E HN 0.494 nan 8.360 nan 0.000 0.448 103 D N -0.432 120.019 120.400 0.085 0.000 2.363 103 D HA 0.006 4.648 4.640 0.002 0.000 0.226 103 D C 0.597 176.771 176.300 -0.209 0.000 1.020 103 D CA 0.727 54.686 54.000 -0.069 0.000 0.892 103 D CB 0.569 41.353 40.800 -0.026 0.000 0.900 103 D HN 0.240 nan 8.370 nan 0.000 0.531 104 A N 0.079 122.896 122.820 -0.005 0.000 2.545 104 A HA 0.468 4.789 4.320 0.002 0.000 0.277 104 A C 1.414 179.033 177.584 0.059 0.000 1.301 104 A CA 0.252 52.317 52.037 0.046 0.000 0.935 104 A CB -0.174 18.894 19.000 0.113 0.000 1.093 104 A HN 0.090 nan 8.150 nan 0.000 0.519 105 G N -0.045 108.793 108.800 0.063 0.000 2.393 105 G HA2 -0.279 3.683 3.960 0.002 0.000 0.299 105 G HA3 -0.279 3.683 3.960 0.002 0.000 0.299 105 G C 0.148 175.107 174.900 0.099 0.000 0.990 105 G CA 0.699 45.855 45.100 0.093 0.000 1.118 105 G HN 0.633 nan 8.290 nan 0.000 0.513 106 Q N -0.803 119.065 119.800 0.112 0.000 2.324 106 Q HA 0.592 4.934 4.340 0.002 0.000 0.373 106 Q C 2.056 178.149 176.000 0.156 0.000 0.909 106 Q CA 0.129 55.998 55.803 0.108 0.000 1.135 106 Q CB 0.299 29.085 28.738 0.079 0.000 1.313 106 Q HN 0.720 nan 8.270 nan 0.000 0.417 107 A N 0.989 123.947 122.820 0.231 0.000 1.899 107 A HA -0.356 3.966 4.320 0.002 0.000 0.230 107 A C 1.848 179.626 177.584 0.324 0.000 1.593 107 A CA 2.155 54.420 52.037 0.380 0.000 0.728 107 A CB -0.313 18.863 19.000 0.292 0.000 0.848 107 A HN 0.479 nan 8.150 nan 0.000 0.490 108 E N -0.756 119.552 120.200 0.179 0.000 2.070 108 E HA -0.180 4.172 4.350 0.002 0.000 0.197 108 E C 2.429 179.112 176.600 0.138 0.000 1.004 108 E CA 1.533 58.014 56.400 0.135 0.000 0.805 108 E CB -0.815 28.926 29.700 0.069 0.000 0.744 108 E HN 0.681 nan 8.360 nan 0.000 0.451 109 A N 1.342 124.227 122.820 0.108 0.000 1.898 109 A HA -0.042 4.279 4.320 0.002 0.000 0.216 109 A C 2.440 180.059 177.584 0.059 0.000 1.181 109 A CA 2.061 54.140 52.037 0.070 0.000 0.620 109 A CB -0.646 18.384 19.000 0.049 0.000 0.819 109 A HN 0.268 nan 8.150 nan 0.000 0.442 110 A N 0.132 123.003 122.820 0.086 0.000 1.873 110 A HA 0.025 4.346 4.320 0.002 0.000 0.218 110 A C 2.517 180.164 177.584 0.106 0.000 1.193 110 A CA 2.570 54.617 52.037 0.018 0.000 0.629 110 A CB -1.164 17.863 19.000 0.044 0.000 0.826 110 A HN 1.171 nan 8.150 nan 0.000 0.447 111 A N -0.631 122.390 122.820 0.335 0.000 2.015 111 A HA 0.240 4.562 4.320 0.002 0.000 0.219 111 A C 2.427 180.166 177.584 0.257 0.000 1.163 111 A CA 1.824 54.136 52.037 0.458 0.000 0.646 111 A CB -0.858 18.454 19.000 0.521 0.000 0.806 111 A HN 1.108 nan 8.150 nan 0.000 0.448 112 A N -0.037 122.872 122.820 0.149 0.000 1.933 112 A HA 0.165 4.486 4.320 0.002 0.000 0.218 112 A C 2.452 180.059 177.584 0.039 0.000 1.175 112 A CA 1.932 54.020 52.037 0.085 0.000 0.628 112 A CB -0.843 18.190 19.000 0.055 0.000 0.814 112 A HN 0.961 nan 8.150 nan 0.000 0.444 113 A N -1.216 121.581 122.820 -0.038 0.000 1.873 113 A HA -0.030 4.291 4.320 0.002 0.000 0.215 113 A C 2.031 179.526 177.584 -0.148 0.000 1.186 113 A CA 1.439 53.385 52.037 -0.152 0.000 0.616 113 A CB -0.821 17.990 19.000 -0.314 0.000 0.823 113 A HN 0.565 nan 8.150 nan 0.000 0.442 114 Y N 0.777 121.054 120.300 -0.037 0.000 2.333 114 Y HA -0.135 4.416 4.550 0.002 0.000 0.290 114 Y C 2.846 178.765 175.900 0.032 0.000 1.144 114 Y CA 1.481 59.559 58.100 -0.037 0.000 1.228 114 Y CB -1.083 37.330 38.460 -0.079 0.000 0.985 114 Y HN 0.250 nan 8.280 nan 0.000 0.542 115 T N -0.324 114.345 114.554 0.191 0.000 2.708 115 T HA -0.209 4.143 4.350 0.002 0.000 0.266 115 T C 2.041 176.824 174.700 0.139 0.000 1.037 115 T CA 1.632 63.832 62.100 0.166 0.000 1.146 115 T CB -0.174 68.768 68.868 0.123 0.000 0.865 115 T HN 0.267 nan 8.240 nan 0.000 0.435 116 R N 0.554 121.101 120.500 0.079 0.000 2.066 116 R HA 0.026 4.367 4.340 0.002 0.000 0.232 116 R C 2.721 179.048 176.300 0.044 0.000 1.131 116 R CA 1.208 57.334 56.100 0.043 0.000 0.955 116 R CB -0.521 29.787 30.300 0.014 0.000 0.851 116 R HN 0.348 nan 8.270 nan 0.000 0.432 117 A N 0.286 123.133 122.820 0.045 0.000 1.915 117 A HA -0.315 4.006 4.320 0.002 0.000 0.220 117 A C 1.979 179.628 177.584 0.107 0.000 1.198 117 A CA 2.275 54.347 52.037 0.058 0.000 0.647 117 A CB -1.040 17.995 19.000 0.059 0.000 0.825 117 A HN 0.615 nan 8.150 nan 0.000 0.456 118 H N -1.052 118.043 119.070 0.042 0.000 2.423 118 H HA -0.015 4.543 4.556 0.002 0.000 0.297 118 H C 2.061 177.404 175.328 0.025 0.000 1.075 118 H CA 1.931 58.001 56.048 0.036 0.000 1.342 118 H CB -0.190 29.599 29.762 0.045 0.000 1.395 118 H HN 0.564 nan 8.280 nan 0.000 0.530 119 Q N -0.641 119.128 119.800 -0.051 0.000 2.297 119 Q HA 0.023 4.365 4.340 0.002 0.000 0.204 119 Q C 1.834 177.775 176.000 -0.098 0.000 0.962 119 Q CA 1.005 56.743 55.803 -0.108 0.000 0.879 119 Q CB 0.198 28.921 28.738 -0.025 0.000 0.947 119 Q HN 0.498 nan 8.270 nan 0.000 0.462 120 L N -1.156 120.031 121.223 -0.060 0.000 2.357 120 L HA 0.112 4.453 4.340 0.002 0.000 0.211 120 L C 0.475 177.312 176.870 -0.055 0.000 1.075 120 L CA 0.321 55.132 54.840 -0.048 0.000 0.830 120 L CB 0.419 42.462 42.059 -0.027 0.000 0.996 120 L HN 0.072 nan 8.230 nan 0.000 0.467 121 L N 1.382 122.576 121.223 -0.048 0.000 2.784 121 L HA 0.223 4.564 4.340 0.002 0.000 0.241 121 L C -1.478 175.362 176.870 -0.050 0.000 1.352 121 L CA -1.117 53.704 54.840 -0.032 0.000 0.911 121 L CB 0.733 42.798 42.059 0.010 0.000 1.227 121 L HN -0.090 nan 8.230 nan 0.000 0.501 122 P HA -0.225 nan 4.420 nan 0.000 0.218 122 P C 1.056 178.329 177.300 -0.044 0.000 1.148 122 P CA 1.282 64.249 63.100 -0.223 0.000 0.822 122 P CB 0.197 31.785 31.700 -0.187 0.000 0.784 123 E N -0.184 120.010 120.200 -0.010 0.000 2.502 123 E HA -0.065 4.287 4.350 0.002 0.000 0.194 123 E C 0.197 176.828 176.600 0.051 0.000 1.062 123 E CA 0.421 56.834 56.400 0.022 0.000 0.867 123 E CB -0.301 29.402 29.700 0.005 0.000 0.888 123 E HN 0.149 nan 8.360 nan 0.000 0.510 124 E N 2.652 122.898 120.200 0.078 0.000 2.046 124 E HA 0.140 4.491 4.350 0.002 0.000 0.279 124 E C -1.735 174.940 176.600 0.125 0.000 0.989 124 E CA -2.472 53.987 56.400 0.098 0.000 0.798 124 E CB 1.747 31.509 29.700 0.103 0.000 1.086 124 E HN 0.052 nan 8.360 nan 0.000 0.399 125 P HA -0.193 nan 4.420 nan 0.000 0.217 125 P C 1.377 178.732 177.300 0.091 0.000 1.150 125 P CA 1.071 64.220 63.100 0.083 0.000 0.832 125 P CB 0.031 31.768 31.700 0.062 0.000 0.787 126 Y N 0.957 121.268 120.300 0.019 0.000 2.200 126 Y HA -0.108 4.444 4.550 0.003 0.000 0.290 126 Y C 2.373 178.291 175.900 0.030 0.000 1.137 126 Y CA 1.194 59.304 58.100 0.017 0.000 1.163 126 Y CB -1.129 37.345 38.460 0.024 0.000 0.988 126 Y HN -0.257 nan 8.280 nan 0.000 0.518 127 I N -0.174 120.344 120.570 -0.086 0.000 2.179 127 I HA -0.348 3.823 4.170 0.002 0.000 0.242 127 I C 2.248 178.272 176.117 -0.156 0.000 1.088 127 I CA 1.973 63.200 61.300 -0.122 0.000 1.357 127 I CB -0.778 37.282 38.000 0.101 0.000 1.051 127 I HN 0.217 nan 8.210 nan 0.000 0.409 128 T N 0.825 115.323 114.554 -0.093 0.000 2.665 128 T HA -0.234 4.117 4.350 0.002 0.000 0.268 128 T C 2.054 176.627 174.700 -0.213 0.000 1.035 128 T CA 1.583 63.535 62.100 -0.247 0.000 1.151 128 T CB -0.457 68.344 68.868 -0.111 0.000 0.862 128 T HN 0.501 nan 8.240 nan 0.000 0.438 129 A N 1.295 124.019 122.820 -0.160 0.000 1.877 129 A HA -0.142 4.179 4.320 0.002 0.000 0.216 129 A C 2.408 179.878 177.584 -0.190 0.000 1.186 129 A CA 1.226 53.186 52.037 -0.129 0.000 0.620 129 A CB -0.594 18.356 19.000 -0.083 0.000 0.822 129 A HN 0.345 nan 8.150 nan 0.000 0.443 130 Q N -1.022 118.569 119.800 -0.348 0.000 2.096 130 Q HA -0.180 4.162 4.340 0.002 0.000 0.204 130 Q C 2.131 177.889 176.000 -0.403 0.000 0.982 130 Q CA 1.576 57.108 55.803 -0.452 0.000 0.850 130 Q CB -0.438 27.878 28.738 -0.703 0.000 0.901 130 Q HN 0.593 nan 8.270 nan 0.000 0.422 131 L N 0.621 121.666 121.223 -0.298 0.000 2.017 131 L HA -0.178 4.163 4.340 0.002 0.000 0.208 131 L C 2.274 179.102 176.870 -0.070 0.000 1.073 131 L CA 1.379 56.123 54.840 -0.159 0.000 0.745 131 L CB -0.914 41.053 42.059 -0.152 0.000 0.894 131 L HN 0.213 nan 8.230 nan 0.000 0.432 132 L N 0.293 121.459 121.223 -0.094 0.000 1.989 132 L HA -0.284 4.057 4.340 0.002 0.000 0.211 132 L C 2.389 179.271 176.870 0.019 0.000 1.071 132 L CA 2.395 57.218 54.840 -0.029 0.000 0.749 132 L CB -1.238 40.802 42.059 -0.031 0.000 0.890 132 L HN 0.633 nan 8.230 nan 0.000 0.431 133 N N -1.066 117.646 118.700 0.020 0.000 2.166 133 N HA -0.288 4.453 4.740 0.002 0.000 0.186 133 N C 2.042 177.618 175.510 0.110 0.000 1.019 133 N CA 1.581 54.672 53.050 0.068 0.000 0.856 133 N CB -0.482 38.058 38.487 0.088 0.000 0.993 133 N HN 0.642 nan 8.380 nan 0.000 0.426 134 W N 1.708 122.932 121.300 -0.128 0.000 2.374 134 W HA -0.049 4.612 4.660 0.002 0.000 0.288 134 W C 2.143 178.661 176.519 -0.002 0.000 1.218 134 W CA 0.578 57.871 57.345 -0.086 0.000 1.245 134 W CB 0.040 29.384 29.460 -0.192 0.000 1.126 134 W HN 0.213 nan 8.180 nan 0.000 0.545 135 R N -0.245 120.282 120.500 0.045 0.000 2.090 135 R HA -0.073 4.268 4.340 0.002 0.000 0.228 135 R C 2.177 178.493 176.300 0.027 0.000 1.110 135 R CA 0.687 56.802 56.100 0.025 0.000 0.973 135 R CB -0.446 29.897 30.300 0.071 0.000 0.869 135 R HN 0.159 nan 8.270 nan 0.000 0.440 136 R N 0.364 120.905 120.500 0.069 0.000 2.096 136 R HA -0.068 4.273 4.340 0.002 0.000 0.235 136 R C 2.271 178.618 176.300 0.078 0.000 1.127 136 R CA 1.031 57.218 56.100 0.145 0.000 0.968 136 R CB -0.197 30.199 30.300 0.160 0.000 0.861 136 R HN 0.187 nan 8.270 nan 0.000 0.440 137 R N 0.499 120.951 120.500 -0.080 0.000 2.115 137 R HA -0.020 4.321 4.340 0.002 0.000 0.230 137 R C 1.652 177.807 176.300 -0.243 0.000 1.111 137 R CA 0.937 56.914 56.100 -0.204 0.000 0.976 137 R CB 0.007 29.915 30.300 -0.654 0.000 0.870 137 R HN 0.197 nan 8.270 nan 0.000 0.445 138 L N -0.373 120.698 121.223 -0.254 0.000 2.700 138 L HA 0.132 4.474 4.340 0.002 0.000 0.234 138 L C 0.363 177.110 176.870 -0.206 0.000 1.156 138 L CA -0.442 54.272 54.840 -0.209 0.000 0.946 138 L CB 0.307 42.255 42.059 -0.186 0.000 1.216 138 L HN 0.198 nan 8.230 nan 0.000 0.493 139 C N 1.077 120.276 119.300 -0.169 0.000 4.165 139 C HA -0.199 4.263 4.460 0.002 0.000 0.299 139 C C 0.812 175.312 174.990 -0.817 0.000 1.445 139 C CA 0.541 59.347 59.018 -0.353 0.000 2.029 139 C CB -2.392 25.124 27.740 -0.374 0.000 1.288 139 C HN 0.626 nan 8.230 nan 0.000 0.752 140 D N -0.119 120.033 120.400 -0.413 0.000 2.428 140 D HA 0.263 4.904 4.640 0.002 0.000 0.221 140 D C 0.368 176.611 176.300 -0.095 0.000 1.123 140 D CA -0.418 53.397 54.000 -0.308 0.000 0.869 140 D CB 0.274 41.003 40.800 -0.117 0.000 1.032 140 D HN 0.525 nan 8.370 nan 0.000 0.506 141 W N 4.083 125.350 121.300 -0.056 0.000 3.213 141 W HA 0.235 4.898 4.660 0.004 0.000 0.430 141 W C 0.290 176.797 176.519 -0.021 0.000 0.975 141 W CA -0.789 56.523 57.345 -0.055 0.000 2.015 141 W CB -0.830 28.570 29.460 -0.101 0.000 1.047 141 W HN 0.141 nan 8.180 nan 0.000 0.797 142 R N 1.242 121.833 120.500 0.151 0.000 2.421 142 R HA 0.284 4.625 4.340 0.002 0.000 0.305 142 R C 1.181 177.546 176.300 0.109 0.000 1.039 142 R CA 0.645 56.813 56.100 0.113 0.000 1.003 142 R CB 0.369 30.715 30.300 0.075 0.000 0.959 142 R HN 0.116 nan 8.270 nan 0.000 0.427 143 A N 2.809 125.689 122.820 0.099 0.000 2.832 143 A HA -0.190 4.131 4.320 0.002 0.000 0.280 143 A C 1.064 178.689 177.584 0.069 0.000 1.464 143 A CA 0.690 52.774 52.037 0.079 0.000 0.804 143 A CB -1.565 17.483 19.000 0.080 0.000 1.020 143 A HN 0.719 nan 8.150 nan 0.000 0.563 144 L N -0.379 120.890 121.223 0.077 0.000 2.131 144 L HA -0.091 4.250 4.340 0.002 0.000 0.210 144 L C 1.917 178.795 176.870 0.013 0.000 1.092 144 L CA 2.707 57.577 54.840 0.049 0.000 0.759 144 L CB -0.301 41.782 42.059 0.040 0.000 0.903 144 L HN 0.514 nan 8.230 nan 0.000 0.435 145 D N -1.220 119.188 120.400 0.012 0.000 2.117 145 D HA -0.128 4.514 4.640 0.002 0.000 0.198 145 D C 2.297 178.605 176.300 0.013 0.000 0.982 145 D CA 1.420 55.421 54.000 0.001 0.000 0.828 145 D CB -0.042 40.759 40.800 0.002 0.000 0.967 145 D HN 0.241 nan 8.370 nan 0.000 0.464 146 V N 1.194 121.125 119.914 0.029 0.000 2.255 146 V HA -0.176 3.946 4.120 0.002 0.000 0.243 146 V C 2.727 178.844 176.094 0.038 0.000 1.038 146 V CA 0.943 63.266 62.300 0.038 0.000 1.008 146 V CB -0.490 31.365 31.823 0.053 0.000 0.645 146 V HN 0.179 nan 8.190 nan 0.000 0.449 147 L N 0.210 121.452 121.223 0.032 0.000 1.997 147 L HA -0.280 4.061 4.340 0.002 0.000 0.216 147 L C 2.743 179.617 176.870 0.007 0.000 1.074 147 L CA 2.225 57.066 54.840 0.002 0.000 0.763 147 L CB -0.879 41.166 42.059 -0.022 0.000 0.890 147 L HN 0.449 nan 8.230 nan 0.000 0.434 148 S N -0.572 115.134 115.700 0.011 0.000 2.383 148 S HA -0.204 4.268 4.470 0.002 0.000 0.229 148 S C 2.058 176.679 174.600 0.036 0.000 1.030 148 S CA 1.323 59.533 58.200 0.017 0.000 1.002 148 S CB -0.089 63.104 63.200 -0.012 0.000 0.829 148 S HN 0.458 nan 8.310 nan 0.000 0.467 149 A N 0.535 123.371 122.820 0.027 0.000 1.898 149 A HA -0.078 4.243 4.320 0.002 0.000 0.216 149 A C 2.120 179.727 177.584 0.038 0.000 1.181 149 A CA 1.593 53.649 52.037 0.032 0.000 0.620 149 A CB -0.831 18.184 19.000 0.024 0.000 0.819 149 A HN 0.664 nan 8.150 nan 0.000 0.442 150 Q N -0.541 119.282 119.800 0.039 0.000 2.124 150 Q HA -0.115 4.227 4.340 0.002 0.000 0.202 150 Q C 2.099 178.118 176.000 0.032 0.000 0.977 150 Q CA 1.684 57.510 55.803 0.039 0.000 0.850 150 Q CB -0.330 28.441 28.738 0.054 0.000 0.901 150 Q HN 0.485 nan 8.270 nan 0.000 0.429 151 V N 0.568 120.505 119.914 0.038 0.000 2.261 151 V HA -0.291 3.830 4.120 0.002 0.000 0.246 151 V C 2.120 178.242 176.094 0.045 0.000 1.047 151 V CA 1.943 64.268 62.300 0.042 0.000 1.015 151 V CB -0.437 31.436 31.823 0.083 0.000 0.642 151 V HN 0.300 nan 8.190 nan 0.000 0.446 152 R N 0.057 120.625 120.500 0.115 0.000 2.105 152 R HA -0.149 4.193 4.340 0.002 0.000 0.239 152 R C 2.347 178.662 176.300 0.025 0.000 1.135 152 R CA 1.519 57.691 56.100 0.119 0.000 0.967 152 R CB -0.568 29.816 30.300 0.140 0.000 0.861 152 R HN 0.553 nan 8.270 nan 0.000 0.442 153 A N 0.784 123.616 122.820 0.021 0.000 1.968 153 A HA -0.016 4.306 4.320 0.002 0.000 0.217 153 A C 2.273 179.849 177.584 -0.014 0.000 1.169 153 A CA 1.408 53.449 52.037 0.006 0.000 0.638 153 A CB -0.409 18.600 19.000 0.015 0.000 0.812 153 A HN 0.390 nan 8.150 nan 0.000 0.446 154 A N -0.496 122.311 122.820 -0.023 0.000 1.873 154 A HA 0.035 4.357 4.320 0.002 0.000 0.215 154 A C 2.188 179.722 177.584 -0.083 0.000 1.186 154 A CA 1.610 53.622 52.037 -0.041 0.000 0.616 154 A CB -0.947 18.032 19.000 -0.035 0.000 0.823 154 A HN 0.341 nan 8.150 nan 0.000 0.442 155 V N 0.073 119.903 119.914 -0.139 0.000 2.332 155 V HA -0.285 3.836 4.120 0.002 0.000 0.248 155 V C 3.052 179.067 176.094 -0.131 0.000 1.055 155 V CA 2.019 64.192 62.300 -0.212 0.000 1.038 155 V CB -1.178 30.414 31.823 -0.385 0.000 0.651 155 V HN 0.617 nan 8.190 nan 0.000 0.450 156 A N -1.259 121.513 122.820 -0.081 0.000 1.933 156 A HA -0.265 4.057 4.320 0.002 0.000 0.218 156 A C 2.102 179.662 177.584 -0.039 0.000 1.175 156 A CA 1.841 53.851 52.037 -0.045 0.000 0.628 156 A CB -0.369 18.619 19.000 -0.020 0.000 0.814 156 A HN 0.621 nan 8.150 nan 0.000 0.444 157 Q N -0.587 119.189 119.800 -0.040 0.000 2.319 157 Q HA 0.182 4.523 4.340 0.002 0.000 0.202 157 Q C 0.936 176.912 176.000 -0.039 0.000 0.896 157 Q CA -0.041 55.744 55.803 -0.031 0.000 0.942 157 Q CB 0.244 28.970 28.738 -0.020 0.000 1.083 157 Q HN 0.631 nan 8.270 nan 0.000 0.510 158 G N 0.580 109.344 108.800 -0.059 0.000 2.287 158 G HA2 0.084 4.046 3.960 0.002 0.000 0.235 158 G HA3 0.084 4.046 3.960 0.002 0.000 0.235 158 G C 0.110 174.977 174.900 -0.055 0.000 1.258 158 G CA -0.232 44.826 45.100 -0.069 0.000 0.884 158 G HN 0.172 nan 8.290 nan 0.000 0.518 159 V N 1.270 121.157 119.914 -0.046 0.000 5.169 159 V HA -0.048 4.073 4.120 0.002 0.000 0.354 159 V C 0.946 177.004 176.094 -0.061 0.000 0.683 159 V CA 1.560 63.835 62.300 -0.041 0.000 1.377 159 V CB -1.111 30.697 31.823 -0.025 0.000 1.647 159 V HN 1.905 nan 8.190 nan 0.000 0.461 160 G N 2.460 111.218 108.800 -0.070 0.000 2.460 160 G HA2 0.729 4.690 3.960 0.002 0.000 0.299 160 G HA3 0.729 4.690 3.960 0.002 0.000 0.299 160 G C 0.374 175.225 174.900 -0.080 0.000 1.592 160 G CA 1.151 46.191 45.100 -0.100 0.000 1.008 160 G HN 2.179 nan 8.290 nan 0.000 0.513 161 A N 0.996 123.811 122.820 -0.007 0.000 1.282 161 A HA -0.265 4.057 4.320 0.002 0.000 0.226 161 A C 1.066 178.691 177.584 0.069 0.000 0.465 161 A CA 1.631 53.726 52.037 0.097 0.000 1.095 161 A CB -1.819 17.225 19.000 0.073 0.000 1.470 161 A HN 1.811 nan 8.150 nan 0.000 0.723 162 V N 2.618 122.495 119.914 -0.063 0.000 2.470 162 V HA 0.380 4.502 4.120 0.002 0.000 0.276 162 V C 0.641 176.652 176.094 -0.139 0.000 1.040 162 V CA 0.175 62.413 62.300 -0.104 0.000 1.008 162 V CB 1.333 33.007 31.823 -0.248 0.000 0.990 162 V HN 0.555 nan 8.190 nan 0.000 0.477 163 E N 7.772 127.942 120.200 -0.050 0.000 2.223 163 E HA 0.186 4.537 4.350 0.002 0.000 0.282 163 E C -1.751 174.813 176.600 -0.060 0.000 1.046 163 E CA -2.025 54.329 56.400 -0.078 0.000 0.857 163 E CB 1.835 31.568 29.700 0.054 0.000 1.055 163 E HN 0.361 nan 8.360 nan 0.000 0.409 164 P HA -0.169 nan 4.420 nan 0.000 0.217 164 P C 1.142 178.589 177.300 0.246 0.000 1.151 164 P CA 1.028 64.041 63.100 -0.146 0.000 0.849 164 P CB -0.056 31.249 31.700 -0.659 0.000 0.787 165 F N 0.320 120.381 119.950 0.186 0.000 2.186 165 F HA -0.107 4.421 4.527 0.002 0.000 0.299 165 F C 2.173 178.067 175.800 0.157 0.000 1.090 165 F CA 1.374 59.571 58.000 0.329 0.000 1.307 165 F CB -0.736 38.449 39.000 0.308 0.000 1.019 165 F HN -0.143 nan 8.300 nan 0.000 0.489 166 A N -0.150 122.871 122.820 0.334 0.000 1.902 166 A HA -0.217 4.104 4.320 0.002 0.000 0.217 166 A C 2.100 179.729 177.584 0.074 0.000 1.181 166 A CA 1.456 53.585 52.037 0.153 0.000 0.623 166 A CB -1.591 17.496 19.000 0.146 0.000 0.818 166 A HN 0.462 nan 8.150 nan 0.000 0.443 167 F N 0.946 120.863 119.950 -0.055 0.000 2.192 167 F HA -0.156 4.372 4.527 0.002 0.000 0.301 167 F C 1.796 177.506 175.800 -0.150 0.000 1.079 167 F CA 1.198 59.142 58.000 -0.092 0.000 1.303 167 F CB -0.358 38.587 39.000 -0.093 0.000 1.024 167 F HN 0.151 nan 8.300 nan 0.000 0.494 168 L N -0.833 120.240 121.223 -0.251 0.000 2.351 168 L HA -0.266 4.076 4.340 0.002 0.000 0.220 168 L C 2.159 178.770 176.870 -0.432 0.000 1.127 168 L CA 1.295 55.822 54.840 -0.520 0.000 0.786 168 L CB -0.910 40.598 42.059 -0.919 0.000 0.914 168 L HN 0.067 nan 8.230 nan 0.000 0.443 169 S N -1.573 113.988 115.700 -0.231 0.000 2.496 169 S HA 0.021 4.492 4.470 0.002 0.000 0.224 169 S C 0.678 175.175 174.600 -0.173 0.000 0.996 169 S CA 0.277 58.442 58.200 -0.057 0.000 0.927 169 S CB -0.023 63.208 63.200 0.050 0.000 0.774 169 S HN 0.334 nan 8.310 nan 0.000 0.524 170 E N 2.174 122.159 120.200 -0.358 0.000 2.313 170 E HA 0.168 4.520 4.350 0.002 0.000 0.272 170 E C -0.825 175.537 176.600 -0.397 0.000 1.038 170 E CA -0.395 55.769 56.400 -0.395 0.000 0.863 170 E CB 0.310 29.662 29.700 -0.579 0.000 1.060 170 E HN 0.054 nan 8.360 nan 0.000 0.402 171 D N 1.384 121.628 120.400 -0.261 0.000 2.541 171 D HA 0.257 4.898 4.640 0.002 0.000 0.231 171 D C -0.527 175.646 176.300 -0.213 0.000 1.163 171 D CA 0.267 54.150 54.000 -0.196 0.000 1.077 171 D CB -0.205 40.527 40.800 -0.115 0.000 1.110 171 D HN 0.336 nan 8.370 nan 0.000 0.499 172 A N 1.116 123.756 122.820 -0.299 0.000 2.414 172 A HA 0.578 4.900 4.320 0.002 0.000 0.306 172 A C 0.422 177.885 177.584 -0.202 0.000 1.054 172 A CA -0.772 51.118 52.037 -0.244 0.000 0.724 172 A CB 1.299 20.064 19.000 -0.392 0.000 1.267 172 A HN 0.286 nan 8.150 nan 0.000 0.418 173 S N 1.015 116.627 115.700 -0.146 0.000 2.608 173 S HA 0.445 4.917 4.470 0.002 0.000 0.261 173 S C 1.374 175.818 174.600 -0.261 0.000 1.314 173 S CA 0.062 58.136 58.200 -0.209 0.000 0.992 173 S CB 0.973 64.048 63.200 -0.210 0.000 0.935 173 S HN 1.901 nan 8.310 nan 0.000 0.564 174 A N 1.192 123.757 122.820 -0.426 0.000 2.024 174 A HA 0.095 4.417 4.320 0.002 0.000 0.220 174 A C 2.290 179.610 177.584 -0.440 0.000 1.164 174 A CA 1.820 53.575 52.037 -0.471 0.000 0.643 174 A CB -1.589 17.030 19.000 -0.636 0.000 0.806 174 A HN 1.255 nan 8.150 nan 0.000 0.451 175 A N -0.028 122.473 122.820 -0.532 0.000 1.854 175 A HA -0.117 4.204 4.320 0.002 0.000 0.214 175 A C 1.882 179.477 177.584 0.019 0.000 1.192 175 A CA 1.358 53.346 52.037 -0.082 0.000 0.611 175 A CB -0.566 18.465 19.000 0.052 0.000 0.832 175 A HN 0.591 nan 8.150 nan 0.000 0.442 176 E N -0.069 120.137 120.200 0.010 0.000 2.130 176 E HA -0.280 4.072 4.350 0.002 0.000 0.196 176 E C 2.233 178.924 176.600 0.152 0.000 0.998 176 E CA 1.530 57.986 56.400 0.094 0.000 0.806 176 E CB -0.293 29.521 29.700 0.190 0.000 0.738 176 E HN 0.722 nan 8.360 nan 0.000 0.459 177 Q N 0.273 120.183 119.800 0.182 0.000 2.084 177 Q HA -0.167 4.174 4.340 0.002 0.000 0.202 177 Q C 2.391 178.409 176.000 0.031 0.000 0.978 177 Q CA 1.003 56.916 55.803 0.185 0.000 0.844 177 Q CB -0.166 28.610 28.738 0.063 0.000 0.898 177 Q HN 0.202 nan 8.270 nan 0.000 0.426 178 L N 0.666 121.889 121.223 0.000 0.000 2.056 178 L HA -0.080 4.261 4.340 0.002 0.000 0.207 178 L C 2.155 179.003 176.870 -0.037 0.000 1.078 178 L CA 2.013 56.843 54.840 -0.016 0.000 0.749 178 L CB -0.843 41.243 42.059 0.045 0.000 0.901 178 L HN 0.101 nan 8.230 nan 0.000 0.433 179 A N -0.817 121.983 122.820 -0.032 0.000 1.873 179 A HA -0.328 3.994 4.320 0.002 0.000 0.218 179 A C 2.586 180.083 177.584 -0.144 0.000 1.193 179 A CA 2.027 54.021 52.037 -0.071 0.000 0.629 179 A CB -1.743 17.218 19.000 -0.064 0.000 0.826 179 A HN 0.722 nan 8.150 nan 0.000 0.447 180 C N -0.657 118.507 119.300 -0.225 0.000 2.413 180 C HA 0.071 4.532 4.460 0.002 0.000 0.276 180 C C 3.103 177.905 174.990 -0.314 0.000 1.248 180 C CA 1.449 60.250 59.018 -0.362 0.000 1.742 180 C CB -1.366 25.984 27.740 -0.650 0.000 2.017 180 C HN 0.673 nan 8.230 nan 0.000 0.481 181 A N 0.008 122.697 122.820 -0.219 0.000 1.968 181 A HA -0.058 4.263 4.320 0.002 0.000 0.217 181 A C 2.444 179.975 177.584 -0.088 0.000 1.169 181 A CA 1.361 53.282 52.037 -0.192 0.000 0.638 181 A CB -0.728 18.278 19.000 0.010 0.000 0.812 181 A HN 0.737 nan 8.150 nan 0.000 0.446 182 R N -0.516 119.931 120.500 -0.089 0.000 2.073 182 R HA -0.096 4.245 4.340 0.002 0.000 0.229 182 R C 2.053 178.309 176.300 -0.073 0.000 1.120 182 R CA 1.922 57.978 56.100 -0.074 0.000 0.967 182 R CB -0.540 29.718 30.300 -0.070 0.000 0.862 182 R HN 0.486 nan 8.270 nan 0.000 0.436 183 T N 0.725 115.214 114.554 -0.109 0.000 2.684 183 T HA -0.173 4.178 4.350 0.002 0.000 0.267 183 T C 1.770 176.414 174.700 -0.094 0.000 1.036 183 T CA 1.679 63.719 62.100 -0.101 0.000 1.148 183 T CB -0.288 68.500 68.868 -0.134 0.000 0.863 183 T HN 0.230 nan 8.240 nan 0.000 0.436 184 R N 1.641 122.033 120.500 -0.179 0.000 2.080 184 R HA 0.005 4.346 4.340 0.002 0.000 0.236 184 R C 2.499 178.841 176.300 0.070 0.000 1.137 184 R CA 1.787 57.763 56.100 -0.207 0.000 0.943 184 R CB -1.000 28.908 30.300 -0.653 0.000 0.846 184 R HN 0.353 nan 8.270 nan 0.000 0.431 185 A N 0.078 123.019 122.820 0.202 0.000 1.940 185 A HA -0.243 4.079 4.320 0.002 0.000 0.219 185 A C 2.125 179.877 177.584 0.279 0.000 1.176 185 A CA 1.769 54.037 52.037 0.385 0.000 0.631 185 A CB -0.554 18.455 19.000 0.014 0.000 0.814 185 A HN 0.563 nan 8.150 nan 0.000 0.446 186 Q N -0.958 118.916 119.800 0.124 0.000 2.079 186 Q HA -0.057 4.285 4.340 0.002 0.000 0.200 186 Q C 2.454 178.526 176.000 0.121 0.000 0.974 186 Q CA 1.272 57.137 55.803 0.102 0.000 0.840 186 Q CB -0.349 28.409 28.738 0.034 0.000 0.898 186 Q HN 0.697 nan 8.270 nan 0.000 0.430 187 A N 0.696 123.576 122.820 0.100 0.000 1.902 187 A HA -0.191 4.131 4.320 0.002 0.000 0.217 187 A C 1.989 179.643 177.584 0.117 0.000 1.181 187 A CA 1.171 53.257 52.037 0.082 0.000 0.623 187 A CB -0.612 18.415 19.000 0.046 0.000 0.818 187 A HN 0.327 nan 8.150 nan 0.000 0.443 188 I N -0.394 120.294 120.570 0.196 0.000 2.179 188 I HA -0.270 3.901 4.170 0.002 0.000 0.242 188 I C 2.965 179.185 176.117 0.172 0.000 1.088 188 I CA 1.100 62.516 61.300 0.193 0.000 1.357 188 I CB -0.284 37.896 38.000 0.301 0.000 1.051 188 I HN 0.356 nan 8.210 nan 0.000 0.409 189 A N 0.465 123.476 122.820 0.319 0.000 1.972 189 A HA -0.140 4.181 4.320 0.002 0.000 0.219 189 A C 2.454 180.125 177.584 0.144 0.000 1.169 189 A CA 1.824 54.042 52.037 0.302 0.000 0.635 189 A CB -0.689 18.561 19.000 0.417 0.000 0.810 189 A HN 0.457 nan 8.150 nan 0.000 0.446 190 A N 0.091 122.979 122.820 0.113 0.000 1.898 190 A HA 0.002 4.323 4.320 0.002 0.000 0.214 190 A C 2.358 179.969 177.584 0.044 0.000 1.183 190 A CA 1.825 53.902 52.037 0.067 0.000 0.622 190 A CB -0.860 18.173 19.000 0.055 0.000 0.824 190 A HN 1.029 nan 8.150 nan 0.000 0.444 191 S N -1.318 114.408 115.700 0.043 0.000 2.603 191 S HA 0.231 4.703 4.470 0.002 0.000 0.229 191 S C 0.323 174.929 174.600 0.010 0.000 0.972 191 S CA 0.396 58.611 58.200 0.025 0.000 0.935 191 S CB -0.504 62.712 63.200 0.027 0.000 0.769 191 S HN 0.172 nan 8.310 nan 0.000 0.536 192 V N 0.656 120.572 119.914 0.004 0.000 2.914 192 V HA 0.612 4.733 4.120 0.002 0.000 0.314 192 V C -0.613 175.471 176.094 -0.017 0.000 1.084 192 V CA -1.157 61.128 62.300 -0.024 0.000 0.963 192 V CB 2.221 33.998 31.823 -0.075 0.000 1.025 192 V HN 0.309 nan 8.190 nan 0.000 0.432 193 R N 3.715 124.199 120.500 -0.027 0.000 2.371 193 R HA 0.539 4.881 4.340 0.002 0.000 0.312 193 R C -2.619 173.660 176.300 -0.035 0.000 0.980 193 R CA -1.514 54.574 56.100 -0.020 0.000 0.867 193 R CB 1.605 31.897 30.300 -0.014 0.000 1.163 193 R HN 0.480 nan 8.270 nan 0.000 0.492 194 P HA -0.057 nan 4.420 nan 0.000 0.269 194 P C -0.529 176.745 177.300 -0.043 0.000 1.211 194 P CA -0.038 63.036 63.100 -0.044 0.000 0.781 194 P CB 0.594 32.283 31.700 -0.018 0.000 0.877 195 L N 0.754 121.943 121.223 -0.057 0.000 2.418 195 L HA 0.347 4.689 4.340 0.002 0.000 0.265 195 L C 0.817 177.665 176.870 -0.037 0.000 1.143 195 L CA -1.013 53.797 54.840 -0.050 0.000 0.809 195 L CB 0.200 42.219 42.059 -0.067 0.000 1.124 195 L HN 0.437 nan 8.230 nan 0.000 0.456 196 A N 3.799 126.602 122.820 -0.029 0.000 2.592 196 A HA 0.069 4.390 4.320 0.002 0.000 0.250 196 A C -2.033 175.538 177.584 -0.022 0.000 1.017 196 A CA -0.659 51.366 52.037 -0.021 0.000 0.794 196 A CB -1.125 17.864 19.000 -0.019 0.000 0.917 196 A HN 0.434 nan 8.150 nan 0.000 0.515 197 P HA 0.245 nan 4.420 nan 0.000 0.269 197 P C 0.056 177.351 177.300 -0.009 0.000 1.209 197 P CA 0.136 63.231 63.100 -0.009 0.000 0.776 197 P CB 1.106 32.807 31.700 0.003 0.000 0.876 198 T N 1.333 115.880 114.554 -0.011 0.000 2.831 198 T HA 0.557 4.909 4.350 0.002 0.000 0.287 198 T C -0.706 173.996 174.700 0.003 0.000 1.070 198 T CA -0.725 61.370 62.100 -0.009 0.000 1.010 198 T CB 1.339 70.193 68.868 -0.024 0.000 1.264 198 T HN 0.311 nan 8.240 nan 0.000 0.532 199 R N 0.462 120.969 120.500 0.012 0.000 2.854 199 R HA 0.644 4.985 4.340 0.002 0.000 0.271 199 R C -0.997 175.320 176.300 0.028 0.000 0.994 199 R CA -0.817 55.303 56.100 0.033 0.000 0.945 199 R CB 1.923 32.254 30.300 0.052 0.000 1.194 199 R HN 0.437 nan 8.270 nan 0.000 0.476 200 V N 4.076 124.013 119.914 0.040 0.000 2.644 200 V HA -0.070 4.052 4.120 0.002 0.000 0.305 200 V C 0.864 177.019 176.094 0.102 0.000 1.053 200 V CA 0.331 62.654 62.300 0.039 0.000 1.186 200 V CB -0.168 31.687 31.823 0.054 0.000 0.895 200 V HN 0.726 nan 8.190 nan 0.000 0.490 201 R N 3.923 124.486 120.500 0.106 0.000 2.698 201 R HA 0.080 4.421 4.340 0.002 0.000 0.266 201 R C 0.847 177.330 176.300 0.306 0.000 1.026 201 R CA 0.276 56.477 56.100 0.168 0.000 1.102 201 R CB 0.141 30.538 30.300 0.162 0.000 0.978 201 R HN 0.607 nan 8.270 nan 0.000 0.436 202 S N 0.996 116.814 115.700 0.197 0.000 2.362 202 S HA 0.014 4.486 4.470 0.002 0.000 0.221 202 S C 0.301 174.936 174.600 0.058 0.000 1.032 202 S CA 0.883 59.163 58.200 0.132 0.000 0.973 202 S CB 0.139 63.370 63.200 0.052 0.000 0.849 202 S HN 0.481 nan 8.310 nan 0.000 0.465 203 K N 0.393 120.848 120.400 0.092 0.000 2.345 203 K HA 0.575 4.896 4.320 0.002 0.000 0.255 203 K C 0.126 176.843 176.600 0.195 0.000 0.934 203 K CA -0.159 56.161 56.287 0.055 0.000 0.801 203 K CB 1.888 34.394 32.500 0.010 0.000 1.137 203 K HN 0.324 nan 8.250 nan 0.000 0.424 204 G N 3.073 112.055 108.800 0.303 0.000 3.394 204 G HA2 0.171 4.133 3.960 0.002 0.000 0.153 204 G HA3 0.171 4.133 3.960 0.002 0.000 0.153 204 G C -2.614 172.610 174.900 0.540 0.000 1.355 204 G CA -0.211 45.065 45.100 0.294 0.000 1.281 204 G HN 0.388 nan 8.290 nan 0.000 0.738 205 P HA 0.210 nan 4.420 nan 0.000 0.258 205 P C -0.410 176.997 177.300 0.179 0.000 1.187 205 P CA 0.044 63.302 63.100 0.263 0.000 0.767 205 P CB 0.783 32.583 31.700 0.167 0.000 0.770 206 L N 5.711 126.950 121.223 0.027 0.000 2.462 206 L HA 0.059 4.401 4.340 0.002 0.000 0.272 206 L C 0.937 177.770 176.870 -0.061 0.000 1.166 206 L CA 0.438 55.123 54.840 -0.258 0.000 0.880 206 L CB -0.058 41.601 42.059 -0.667 0.000 1.142 206 L HN 0.240 nan 8.230 nan 0.000 0.473 207 R N 4.774 125.256 120.500 -0.031 0.000 2.204 207 R HA 0.420 4.762 4.340 0.002 0.000 0.341 207 R C -1.149 175.207 176.300 0.092 0.000 1.035 207 R CA -0.619 55.533 56.100 0.087 0.000 0.887 207 R CB 0.718 31.037 30.300 0.031 0.000 1.114 207 R HN 0.380 nan 8.270 nan 0.000 0.473 208 V N 2.162 122.204 119.914 0.214 0.000 2.398 208 V HA 0.582 4.704 4.120 0.002 0.000 0.286 208 V C 0.607 176.911 176.094 0.350 0.000 1.026 208 V CA -0.778 61.655 62.300 0.222 0.000 0.868 208 V CB 1.783 33.762 31.823 0.259 0.000 0.982 208 V HN 0.901 nan 8.190 nan 0.000 0.443 209 G N 3.204 112.138 108.800 0.222 0.000 2.495 209 G HA2 0.773 4.735 3.960 0.002 0.000 0.318 209 G HA3 0.773 4.735 3.960 0.002 0.000 0.318 209 G C -1.516 173.532 174.900 0.246 0.000 1.257 209 G CA -0.442 44.917 45.100 0.432 0.000 0.962 209 G HN 0.431 nan 8.290 nan 0.000 0.483 210 F N 0.962 121.323 119.950 0.686 0.000 2.539 210 F HA 0.479 5.008 4.527 0.003 0.000 0.318 210 F C -0.094 176.163 175.800 0.761 0.000 1.135 210 F CA -0.966 57.476 58.000 0.736 0.000 0.915 210 F CB 2.802 42.261 39.000 0.764 0.000 1.176 210 F HN 0.244 nan 8.300 nan 0.000 0.440 211 V N 2.377 122.758 119.914 0.778 0.000 2.417 211 V HA 0.751 4.873 4.120 0.002 0.000 0.291 211 V C -0.388 175.909 176.094 0.339 0.000 1.024 211 V CA -0.393 62.264 62.300 0.594 0.000 0.861 211 V CB 1.597 33.714 31.823 0.491 0.000 0.985 211 V HN 0.799 nan 8.190 nan 0.000 0.436 212 S N 2.866 118.601 115.700 0.059 0.000 2.565 212 S HA 0.383 4.855 4.470 0.002 0.000 0.269 212 S C 0.099 174.521 174.600 -0.297 0.000 1.153 212 S CA -0.283 57.711 58.200 -0.343 0.000 0.835 212 S CB 1.653 64.213 63.200 -1.068 0.000 1.122 212 S HN 0.955 nan 8.310 nan 0.000 0.462 213 N N 1.001 119.558 118.700 -0.238 0.000 2.230 213 N HA 0.257 4.999 4.740 0.002 0.000 0.202 213 N C 0.761 176.102 175.510 -0.282 0.000 1.119 213 N CA -0.251 52.691 53.050 -0.180 0.000 0.851 213 N CB 0.512 38.924 38.487 -0.125 0.000 0.990 213 N HN 0.498 nan 8.380 nan 0.000 0.497 214 G N -0.044 108.553 108.800 -0.339 0.000 3.899 214 G HA2 0.210 4.172 3.960 0.002 0.000 0.293 214 G HA3 0.210 4.172 3.960 0.002 0.000 0.293 214 G C -0.825 174.078 174.900 0.005 0.000 1.054 214 G CA -0.394 44.582 45.100 -0.206 0.000 0.846 214 G HN 0.126 nan 8.290 nan 0.000 0.525 215 F N 2.091 122.092 119.950 0.085 0.000 2.464 215 F HA 0.570 5.098 4.527 0.002 0.000 0.353 215 F C 1.091 176.944 175.800 0.088 0.000 1.191 215 F CA -0.091 57.950 58.000 0.068 0.000 1.147 215 F CB 0.692 39.709 39.000 0.029 0.000 1.294 215 F HN 0.349 nan 8.300 nan 0.000 0.583 216 G N 1.697 110.662 108.800 0.276 0.000 2.288 216 G HA2 0.293 4.254 3.960 0.002 0.000 0.227 216 G HA3 0.293 4.254 3.960 0.002 0.000 0.227 216 G C -0.866 174.075 174.900 0.068 0.000 1.339 216 G CA -0.391 44.807 45.100 0.164 0.000 1.057 216 G HN 0.620 nan 8.290 nan 0.000 0.470 217 A N 0.940 123.710 122.820 -0.083 0.000 3.074 217 A HA 0.606 4.927 4.320 0.002 0.000 0.251 217 A C 0.352 177.649 177.584 -0.479 0.000 1.695 217 A CA 0.374 52.271 52.037 -0.232 0.000 1.343 217 A CB -1.081 17.791 19.000 -0.213 0.000 1.078 217 A HN 0.673 nan 8.150 nan 0.000 0.644 218 H N -1.221 117.839 119.070 -0.016 0.000 2.949 218 H HA 0.253 4.810 4.556 0.003 0.000 0.356 218 H C -2.085 173.224 175.328 -0.032 0.000 1.212 218 H CA -1.695 54.342 56.048 -0.018 0.000 1.136 218 H CB 1.202 30.959 29.762 -0.009 0.000 1.869 218 H HN 0.004 nan 8.280 nan 0.000 0.556 219 P HA -0.179 nan 4.420 nan 0.000 0.214 219 P C 1.325 178.639 177.300 0.023 0.000 1.169 219 P CA 2.264 65.397 63.100 0.055 0.000 0.908 219 P CB -0.004 31.748 31.700 0.087 0.000 0.791 220 T N -1.065 113.504 114.554 0.026 0.000 2.652 220 T HA -0.148 4.203 4.350 0.002 0.000 0.267 220 T C 1.972 176.715 174.700 0.073 0.000 1.039 220 T CA 2.015 64.112 62.100 -0.006 0.000 1.153 220 T CB -1.390 67.414 68.868 -0.107 0.000 0.863 220 T HN 0.226 nan 8.240 nan 0.000 0.428 221 G N 1.296 110.188 108.800 0.152 0.000 2.418 221 G HA2 -0.141 3.821 3.960 0.002 0.000 0.217 221 G HA3 -0.141 3.821 3.960 0.002 0.000 0.217 221 G C 1.509 176.452 174.900 0.072 0.000 1.158 221 G CA 0.727 45.978 45.100 0.250 0.000 0.771 221 G HN 0.422 nan 8.290 nan 0.000 0.545 222 L N 0.402 121.620 121.223 -0.009 0.000 2.187 222 L HA 0.098 4.440 4.340 0.002 0.000 0.213 222 L C 2.451 179.232 176.870 -0.148 0.000 1.100 222 L CA 1.351 56.120 54.840 -0.118 0.000 0.765 222 L CB -0.342 41.608 42.059 -0.181 0.000 0.904 222 L HN 0.240 nan 8.230 nan 0.000 0.437 223 L N -1.417 119.727 121.223 -0.132 0.000 2.249 223 L HA -0.004 4.338 4.340 0.002 0.000 0.207 223 L C 1.923 178.628 176.870 -0.276 0.000 1.090 223 L CA 1.146 55.857 54.840 -0.216 0.000 0.802 223 L CB -0.716 41.204 42.059 -0.232 0.000 0.947 223 L HN 0.372 nan 8.230 nan 0.000 0.453 224 T N -4.350 110.089 114.554 -0.191 0.000 3.086 224 T HA 0.057 4.408 4.350 0.002 0.000 0.250 224 T C 1.470 176.048 174.700 -0.203 0.000 1.074 224 T CA 0.174 62.100 62.100 -0.289 0.000 0.988 224 T CB 0.389 69.175 68.868 -0.137 0.000 0.988 224 T HN 0.054 nan 8.240 nan 0.000 0.530 225 V N 1.419 121.272 119.914 -0.102 0.000 2.446 225 V HA 0.212 4.334 4.120 0.002 0.000 0.244 225 V C 2.815 178.860 176.094 -0.081 0.000 1.039 225 V CA 1.614 63.901 62.300 -0.021 0.000 1.045 225 V CB -0.790 31.014 31.823 -0.032 0.000 0.681 225 V HN 0.566 nan 8.190 nan 0.000 0.459 226 A N -0.153 122.571 122.820 -0.159 0.000 1.972 226 A HA -0.141 4.180 4.320 0.002 0.000 0.219 226 A C 2.077 179.548 177.584 -0.188 0.000 1.169 226 A CA 1.993 53.934 52.037 -0.160 0.000 0.635 226 A CB -0.623 18.259 19.000 -0.196 0.000 0.810 226 A HN 0.558 nan 8.150 nan 0.000 0.446 227 L N -1.346 119.690 121.223 -0.311 0.000 1.988 227 L HA -0.024 4.318 4.340 0.002 0.000 0.207 227 L C 2.095 178.775 176.870 -0.318 0.000 1.071 227 L CA 1.966 56.565 54.840 -0.401 0.000 0.744 227 L CB -1.087 40.570 42.059 -0.669 0.000 0.893 227 L HN 0.323 nan 8.230 nan 0.000 0.433 228 F N 0.528 120.344 119.950 -0.222 0.000 2.250 228 F HA -0.183 4.345 4.527 0.002 0.000 0.301 228 F C 2.519 178.232 175.800 -0.144 0.000 1.077 228 F CA 1.552 59.425 58.000 -0.212 0.000 1.348 228 F CB -0.624 38.206 39.000 -0.283 0.000 1.040 228 F HN 0.278 nan 8.300 nan 0.000 0.509 229 E N -0.311 119.907 120.200 0.029 0.000 2.072 229 E HA -0.130 4.221 4.350 0.002 0.000 0.190 229 E C 2.423 179.022 176.600 -0.003 0.000 0.982 229 E CA 0.956 57.355 56.400 -0.001 0.000 0.803 229 E CB -0.281 29.404 29.700 -0.025 0.000 0.755 229 E HN 0.308 nan 8.360 nan 0.000 0.453 230 A N 0.677 123.484 122.820 -0.021 0.000 1.969 230 A HA -0.138 4.184 4.320 0.002 0.000 0.218 230 A C 2.093 179.694 177.584 0.028 0.000 1.169 230 A CA 0.973 53.010 52.037 -0.000 0.000 0.635 230 A CB -0.497 18.499 19.000 -0.007 0.000 0.810 230 A HN 0.150 nan 8.150 nan 0.000 0.445 231 L N -1.062 120.183 121.223 0.036 0.000 2.156 231 L HA -0.172 4.169 4.340 0.002 0.000 0.208 231 L C 2.786 179.702 176.870 0.076 0.000 1.095 231 L CA 1.495 56.384 54.840 0.082 0.000 0.770 231 L CB -0.447 41.686 42.059 0.123 0.000 0.914 231 L HN 0.551 nan 8.230 nan 0.000 0.439 232 Q N 0.813 120.647 119.800 0.056 0.000 2.119 232 Q HA -0.229 4.112 4.340 0.002 0.000 0.201 232 Q C 2.322 178.338 176.000 0.027 0.000 0.972 232 Q CA 1.641 57.464 55.803 0.033 0.000 0.847 232 Q CB 0.134 28.876 28.738 0.006 0.000 0.903 232 Q HN 0.486 nan 8.270 nan 0.000 0.433 233 R N -1.053 119.463 120.500 0.026 0.000 2.189 233 R HA 0.067 4.408 4.340 0.002 0.000 0.203 233 R C 1.730 178.049 176.300 0.032 0.000 1.012 233 R CA 0.400 56.513 56.100 0.022 0.000 1.015 233 R CB 0.177 30.485 30.300 0.014 0.000 0.938 233 R HN 0.082 nan 8.270 nan 0.000 0.472 234 R N -0.307 120.218 120.500 0.042 0.000 2.103 234 R HA 0.188 4.530 4.340 0.002 0.000 0.212 234 R C 0.369 176.705 176.300 0.059 0.000 1.107 234 R CA 0.232 56.361 56.100 0.048 0.000 1.025 234 R CB 0.310 30.641 30.300 0.052 0.000 0.929 234 R HN 0.089 nan 8.270 nan 0.000 0.456 235 Q N 1.655 121.499 119.800 0.073 0.000 2.655 235 Q HA 0.161 4.502 4.340 0.002 0.000 0.228 235 Q C -1.915 174.135 176.000 0.082 0.000 1.186 235 Q CA -1.611 54.242 55.803 0.084 0.000 1.004 235 Q CB 1.422 30.222 28.738 0.103 0.000 1.242 235 Q HN 0.192 nan 8.270 nan 0.000 0.558 236 P HA -0.110 nan 4.420 nan 0.000 0.221 236 P C 0.298 177.650 177.300 0.086 0.000 1.150 236 P CA 0.839 63.980 63.100 0.068 0.000 0.800 236 P CB 0.564 32.298 31.700 0.057 0.000 0.787 237 D N -0.067 120.398 120.400 0.108 0.000 2.310 237 D HA 0.004 4.645 4.640 0.002 0.000 0.212 237 D C 0.880 177.262 176.300 0.136 0.000 0.965 237 D CA 0.628 54.718 54.000 0.149 0.000 0.879 237 D CB -0.202 40.721 40.800 0.206 0.000 0.921 237 D HN 0.286 nan 8.370 nan 0.000 0.510 238 L N 0.966 122.250 121.223 0.102 0.000 2.275 238 L HA 0.287 4.628 4.340 0.002 0.000 0.288 238 L C 0.450 177.383 176.870 0.105 0.000 1.046 238 L CA -0.432 54.460 54.840 0.086 0.000 0.805 238 L CB 1.381 43.500 42.059 0.099 0.000 1.193 238 L HN -0.245 nan 8.230 nan 0.000 0.426 239 Q N 3.741 123.613 119.800 0.120 0.000 2.360 239 Q HA 0.350 4.691 4.340 0.002 0.000 0.254 239 Q C -0.959 175.145 176.000 0.174 0.000 0.975 239 Q CA -0.738 55.136 55.803 0.118 0.000 0.912 239 Q CB 1.030 29.875 28.738 0.179 0.000 1.212 239 Q HN 0.482 nan 8.270 nan 0.000 0.452 240 M N 4.176 123.807 119.600 0.052 0.000 2.084 240 M HA 0.282 4.763 4.480 0.002 0.000 0.351 240 M C -0.803 175.403 176.300 -0.157 0.000 1.240 240 M CA -0.053 55.318 55.300 0.118 0.000 1.083 240 M CB 0.682 33.356 32.600 0.124 0.000 1.593 240 M HN 0.530 nan 8.290 nan 0.000 0.463 241 H N 3.867 123.019 119.070 0.137 0.000 2.539 241 H HA 0.440 4.997 4.556 0.002 0.000 0.332 241 H C -1.068 174.251 175.328 -0.014 0.000 1.031 241 H CA -0.800 55.232 56.048 -0.027 0.000 1.206 241 H CB 2.071 31.858 29.762 0.040 0.000 1.446 241 H HN 0.417 nan 8.280 nan 0.000 0.496 242 L N 4.063 125.140 121.223 -0.244 0.000 2.282 242 L HA 0.259 4.600 4.340 0.002 0.000 0.288 242 L C -0.592 176.203 176.870 -0.126 0.000 1.033 242 L CA -0.182 54.520 54.840 -0.230 0.000 0.807 242 L CB 0.411 41.985 42.059 -0.807 0.000 1.209 242 L HN 0.443 nan 8.230 nan 0.000 0.423 243 F N 3.260 123.458 119.950 0.414 0.000 2.308 243 F HA 0.587 5.116 4.527 0.002 0.000 0.370 243 F C 0.621 176.683 175.800 0.435 0.000 1.100 243 F CA -0.645 57.585 58.000 0.383 0.000 1.108 243 F CB 0.988 40.162 39.000 0.291 0.000 1.293 243 F HN 0.510 nan 8.300 nan 0.000 0.478 244 A N 1.705 124.806 122.820 0.468 0.000 2.276 244 A HA 0.463 4.784 4.320 0.002 0.000 0.300 244 A C 0.964 178.710 177.584 0.269 0.000 1.235 244 A CA -0.318 51.980 52.037 0.435 0.000 0.867 244 A CB 0.142 19.354 19.000 0.354 0.000 1.137 244 A HN 0.803 nan 8.150 nan 0.000 0.527 245 T N -0.739 113.930 114.554 0.192 0.000 3.086 245 T HA 0.248 4.599 4.350 0.002 0.000 0.250 245 T C 0.626 175.369 174.700 0.072 0.000 1.074 245 T CA 0.483 62.658 62.100 0.125 0.000 0.988 245 T CB -0.516 68.415 68.868 0.105 0.000 0.988 245 T HN 0.999 nan 8.240 nan 0.000 0.530 246 S N 0.037 115.779 115.700 0.070 0.000 2.542 246 S HA 0.774 5.246 4.470 0.002 0.000 0.293 246 S C 0.445 175.094 174.600 0.082 0.000 1.089 246 S CA -0.712 57.518 58.200 0.050 0.000 0.961 246 S CB 1.579 64.781 63.200 0.003 0.000 1.062 246 S HN 0.385 nan 8.310 nan 0.000 0.483 247 G N 0.570 109.410 108.800 0.067 0.000 2.631 247 G HA2 0.299 4.260 3.960 0.002 0.000 0.271 247 G HA3 0.299 4.260 3.960 0.002 0.000 0.271 247 G C -0.531 174.411 174.900 0.071 0.000 1.302 247 G CA -0.455 44.683 45.100 0.063 0.000 1.002 247 G HN 0.812 nan 8.290 nan 0.000 0.519 248 D N -0.705 119.726 120.400 0.051 0.000 2.401 248 D HA 0.129 4.770 4.640 0.002 0.000 0.254 248 D C 0.737 177.065 176.300 0.046 0.000 1.192 248 D CA -0.256 53.771 54.000 0.044 0.000 0.885 248 D CB 0.984 41.797 40.800 0.022 0.000 1.147 248 D HN 0.330 nan 8.370 nan 0.000 0.478 249 D N 2.167 122.600 120.400 0.055 0.000 2.349 249 D HA 0.164 4.805 4.640 0.002 0.000 0.214 249 D C 1.430 177.744 176.300 0.023 0.000 1.063 249 D CA 0.212 54.240 54.000 0.046 0.000 0.847 249 D CB -0.088 40.750 40.800 0.062 0.000 0.933 249 D HN 0.501 nan 8.370 nan 0.000 0.513 250 G N 0.432 109.242 108.800 0.018 0.000 2.155 250 G HA2 -0.304 3.657 3.960 0.002 0.000 0.257 250 G HA3 -0.304 3.657 3.960 0.002 0.000 0.257 250 G C 0.410 175.312 174.900 0.004 0.000 0.983 250 G CA 0.509 45.614 45.100 0.008 0.000 0.676 250 G HN 0.802 nan 8.290 nan 0.000 0.528 251 S N -0.566 115.137 115.700 0.003 0.000 2.585 251 S HA 0.514 4.986 4.470 0.002 0.000 0.273 251 S C 1.659 176.257 174.600 -0.004 0.000 1.339 251 S CA 0.814 59.013 58.200 -0.003 0.000 1.028 251 S CB 1.568 64.761 63.200 -0.013 0.000 0.906 251 S HN 1.398 nan 8.310 nan 0.000 0.528 252 T N 0.559 115.110 114.554 -0.004 0.000 2.962 252 T HA -0.026 4.326 4.350 0.002 0.000 0.270 252 T C 1.572 176.263 174.700 -0.016 0.000 1.088 252 T CA 0.761 62.857 62.100 -0.008 0.000 1.127 252 T CB -0.726 68.141 68.868 -0.001 0.000 0.883 252 T HN 0.539 nan 8.240 nan 0.000 0.493 253 L N 0.311 121.525 121.223 -0.015 0.000 1.976 253 L HA -0.032 4.310 4.340 0.002 0.000 0.209 253 L C 3.158 180.020 176.870 -0.014 0.000 1.071 253 L CA 1.679 56.508 54.840 -0.018 0.000 0.746 253 L CB -0.536 41.513 42.059 -0.018 0.000 0.890 253 L HN 0.233 nan 8.230 nan 0.000 0.432 254 R N 0.059 120.561 120.500 0.004 0.000 2.119 254 R HA -0.175 4.166 4.340 0.002 0.000 0.246 254 R C 2.146 178.423 176.300 -0.039 0.000 1.146 254 R CA 2.432 58.533 56.100 0.002 0.000 0.962 254 R CB -1.099 29.218 30.300 0.028 0.000 0.863 254 R HN 0.294 nan 8.270 nan 0.000 0.442 255 T N 0.297 114.829 114.554 -0.035 0.000 2.674 255 T HA -0.092 4.259 4.350 0.002 0.000 0.265 255 T C 1.833 176.492 174.700 -0.068 0.000 1.039 255 T CA 1.665 63.736 62.100 -0.049 0.000 1.150 255 T CB -0.215 68.632 68.868 -0.034 0.000 0.864 255 T HN 0.319 nan 8.240 nan 0.000 0.427 256 R N 0.492 120.956 120.500 -0.059 0.000 2.096 256 R HA -0.069 4.273 4.340 0.002 0.000 0.240 256 R C 2.509 178.747 176.300 -0.103 0.000 1.139 256 R CA 1.338 57.398 56.100 -0.067 0.000 0.952 256 R CB -0.723 29.547 30.300 -0.050 0.000 0.854 256 R HN 0.354 nan 8.270 nan 0.000 0.436 257 L N -0.043 121.103 121.223 -0.128 0.000 1.989 257 L HA -0.222 4.120 4.340 0.002 0.000 0.211 257 L C 2.688 179.386 176.870 -0.287 0.000 1.071 257 L CA 1.483 56.182 54.840 -0.235 0.000 0.749 257 L CB -0.656 41.234 42.059 -0.280 0.000 0.890 257 L HN 0.298 nan 8.230 nan 0.000 0.431 258 A N -0.830 121.855 122.820 -0.225 0.000 2.024 258 A HA -0.280 4.042 4.320 0.002 0.000 0.220 258 A C 2.182 179.651 177.584 -0.192 0.000 1.164 258 A CA 1.883 53.788 52.037 -0.220 0.000 0.643 258 A CB -0.452 18.456 19.000 -0.155 0.000 0.806 258 A HN 0.443 nan 8.150 nan 0.000 0.451 259 Q N -1.119 118.591 119.800 -0.150 0.000 2.331 259 Q HA 0.232 4.574 4.340 0.002 0.000 0.203 259 Q C 1.753 177.678 176.000 -0.125 0.000 0.944 259 Q CA 1.204 56.935 55.803 -0.118 0.000 0.892 259 Q CB -0.225 28.462 28.738 -0.084 0.000 0.983 259 Q HN 0.582 nan 8.270 nan 0.000 0.482 260 A N -0.887 121.841 122.820 -0.152 0.000 2.267 260 A HA 0.321 4.643 4.320 0.002 0.000 0.213 260 A C 0.612 178.086 177.584 -0.184 0.000 1.192 260 A CA 0.532 52.492 52.037 -0.129 0.000 0.851 260 A CB 0.205 19.157 19.000 -0.081 0.000 0.881 260 A HN 0.352 nan 8.150 nan 0.000 0.494 261 S N -2.357 113.176 115.700 -0.279 0.000 2.790 261 S HA 0.523 4.994 4.470 0.002 0.000 0.292 261 S C -0.631 173.736 174.600 -0.387 0.000 1.197 261 S CA -0.433 57.552 58.200 -0.359 0.000 0.851 261 S CB 0.852 63.722 63.200 -0.549 0.000 1.217 261 S HN -0.023 nan 8.310 nan 0.000 0.526 262 T N 1.950 116.206 114.554 -0.497 0.000 2.781 262 T HA 0.458 4.810 4.350 0.002 0.000 0.305 262 T C -0.582 173.711 174.700 -0.678 0.000 1.001 262 T CA -0.297 61.462 62.100 -0.569 0.000 0.950 262 T CB -0.012 68.466 68.868 -0.649 0.000 0.955 262 T HN 0.534 nan 8.240 nan 0.000 0.471 263 L N 5.953 126.827 121.223 -0.582 0.000 2.255 263 L HA 0.371 4.712 4.340 0.002 0.000 0.289 263 L C -0.209 176.366 176.870 -0.492 0.000 1.046 263 L CA -0.695 53.846 54.840 -0.497 0.000 0.816 263 L CB 0.178 42.029 42.059 -0.347 0.000 1.197 263 L HN 0.621 nan 8.230 nan 0.000 0.427 264 H N 3.533 122.450 119.070 -0.254 0.000 2.604 264 H HA 0.143 4.700 4.556 0.002 0.000 0.306 264 H C -0.920 174.428 175.328 0.033 0.000 1.075 264 H CA -0.607 55.387 56.048 -0.090 0.000 1.357 264 H CB 1.574 31.272 29.762 -0.107 0.000 1.426 264 H HN 0.524 nan 8.280 nan 0.000 0.470 265 D N 4.175 124.660 120.400 0.142 0.000 2.422 265 D HA 0.031 4.672 4.640 0.002 0.000 0.227 265 D C 0.917 177.296 176.300 0.131 0.000 1.190 265 D CA -0.262 53.812 54.000 0.123 0.000 0.905 265 D CB 0.593 41.432 40.800 0.065 0.000 1.034 265 D HN 0.428 nan 8.370 nan 0.000 0.507 266 V N 1.512 121.535 119.914 0.182 0.000 3.342 266 V HA 0.098 4.220 4.120 0.002 0.000 0.322 266 V C 1.681 177.828 176.094 0.089 0.000 1.370 266 V CA -0.133 62.248 62.300 0.136 0.000 1.170 266 V CB -0.187 31.777 31.823 0.234 0.000 1.101 266 V HN 0.285 nan 8.190 nan 0.000 0.442 267 T N 1.741 116.343 114.554 0.080 0.000 2.778 267 T HA -0.153 4.198 4.350 0.002 0.000 0.269 267 T C 2.075 176.787 174.700 0.020 0.000 1.050 267 T CA 2.248 64.379 62.100 0.053 0.000 1.137 267 T CB -0.228 68.669 68.868 0.048 0.000 0.860 267 T HN 0.810 nan 8.240 nan 0.000 0.468 268 A N 0.693 123.518 122.820 0.007 0.000 1.969 268 A HA 0.197 4.518 4.320 0.002 0.000 0.218 268 A C 1.099 178.667 177.584 -0.028 0.000 1.169 268 A CA 0.737 52.765 52.037 -0.015 0.000 0.635 268 A CB -0.446 18.541 19.000 -0.022 0.000 0.810 268 A HN 0.484 nan 8.150 nan 0.000 0.445 269 L N -1.893 119.316 121.223 -0.023 0.000 2.454 269 L HA 0.605 4.947 4.340 0.002 0.000 0.256 269 L C 0.850 177.694 176.870 -0.044 0.000 1.136 269 L CA 0.104 54.924 54.840 -0.034 0.000 0.804 269 L CB 0.358 42.402 42.059 -0.026 0.000 1.181 269 L HN 0.407 nan 8.230 nan 0.000 0.469 270 G N -0.677 108.069 108.800 -0.089 0.000 2.599 270 G HA2 -0.126 3.835 3.960 0.002 0.000 0.440 270 G HA3 -0.126 3.835 3.960 0.002 0.000 0.440 270 G C 0.108 174.991 174.900 -0.028 0.000 1.018 270 G CA -0.241 44.808 45.100 -0.085 0.000 1.311 270 G HN 0.929 nan 8.290 nan 0.000 0.604 271 H N -0.036 119.016 119.070 -0.030 0.000 2.260 271 H HA -0.255 4.303 4.556 0.002 0.000 0.288 271 H C 2.791 178.077 175.328 -0.070 0.000 1.094 271 H CA 2.123 58.140 56.048 -0.052 0.000 1.197 271 H CB 0.128 29.856 29.762 -0.055 0.000 1.346 271 H HN 0.474 nan 8.280 nan 0.000 0.486 272 L N 0.687 121.957 121.223 0.079 0.000 2.012 272 L HA -0.204 4.137 4.340 0.002 0.000 0.210 272 L C 2.569 179.432 176.870 -0.012 0.000 1.073 272 L CA 1.834 56.678 54.840 0.006 0.000 0.748 272 L CB -0.756 41.302 42.059 -0.001 0.000 0.891 272 L HN 0.330 nan 8.230 nan 0.000 0.431 273 A N -1.541 121.274 122.820 -0.008 0.000 1.883 273 A HA -0.246 4.076 4.320 0.002 0.000 0.217 273 A C 2.261 179.855 177.584 0.016 0.000 1.186 273 A CA 2.525 54.557 52.037 -0.008 0.000 0.624 273 A CB -1.349 17.637 19.000 -0.023 0.000 0.822 273 A HN 0.545 nan 8.150 nan 0.000 0.444 274 T N 0.580 115.145 114.554 0.018 0.000 2.665 274 T HA -0.119 4.233 4.350 0.002 0.000 0.268 274 T C 2.219 176.894 174.700 -0.041 0.000 1.035 274 T CA 1.971 64.089 62.100 0.031 0.000 1.151 274 T CB -0.675 68.210 68.868 0.027 0.000 0.862 274 T HN 0.657 nan 8.240 nan 0.000 0.438 275 A N 2.055 124.817 122.820 -0.096 0.000 1.859 275 A HA -0.215 4.106 4.320 0.002 0.000 0.217 275 A C 2.276 179.783 177.584 -0.128 0.000 1.198 275 A CA 1.941 53.874 52.037 -0.173 0.000 0.629 275 A CB -0.612 18.290 19.000 -0.163 0.000 0.830 275 A HN 0.479 nan 8.150 nan 0.000 0.446 276 K N -1.705 118.658 120.400 -0.061 0.000 2.113 276 K HA -0.240 4.082 4.320 0.002 0.000 0.208 276 K C 2.085 178.694 176.600 0.015 0.000 1.047 276 K CA 1.795 58.064 56.287 -0.031 0.000 0.928 276 K CB -0.338 32.151 32.500 -0.018 0.000 0.716 276 K HN 0.739 nan 8.250 nan 0.000 0.446 277 H N 0.966 120.007 119.070 -0.048 0.000 2.326 277 H HA 0.006 4.564 4.556 0.002 0.000 0.301 277 H C 1.848 177.219 175.328 0.072 0.000 1.081 277 H CA 1.518 57.583 56.048 0.030 0.000 1.334 277 H CB -0.156 29.657 29.762 0.086 0.000 1.385 277 H HN 0.045 nan 8.280 nan 0.000 0.504 278 I N 0.027 120.489 120.570 -0.180 0.000 2.151 278 I HA -0.305 3.867 4.170 0.002 0.000 0.243 278 I C 2.617 178.596 176.117 -0.230 0.000 1.080 278 I CA 1.734 62.769 61.300 -0.441 0.000 1.339 278 I CB -0.261 37.301 38.000 -0.730 0.000 1.039 278 I HN 0.185 nan 8.210 nan 0.000 0.409 279 R N 0.328 120.718 120.500 -0.183 0.000 2.096 279 R HA -0.225 4.116 4.340 0.002 0.000 0.235 279 R C 2.392 178.624 176.300 -0.114 0.000 1.127 279 R CA 1.638 57.657 56.100 -0.135 0.000 0.968 279 R CB -0.931 29.305 30.300 -0.107 0.000 0.861 279 R HN 0.483 nan 8.270 nan 0.000 0.440 280 H N -0.817 118.107 119.070 -0.244 0.000 2.426 280 H HA -0.159 4.398 4.556 0.002 0.000 0.298 280 H C 0.514 175.583 175.328 -0.431 0.000 1.107 280 H CA 1.742 57.585 56.048 -0.342 0.000 1.298 280 H CB 0.129 29.636 29.762 -0.424 0.000 1.377 280 H HN 0.455 nan 8.280 nan 0.000 0.519 281 H N -0.618 118.278 119.070 -0.289 0.000 2.524 281 H HA 0.096 4.653 4.556 0.003 0.000 0.280 281 H C 1.104 176.283 175.328 -0.248 0.000 1.018 281 H CA 0.544 56.397 56.048 -0.327 0.000 1.165 281 H CB 0.126 29.674 29.762 -0.357 0.000 1.411 281 H HN 0.531 nan 8.280 nan 0.000 0.569 282 G N 2.271 110.992 108.800 -0.131 0.000 2.393 282 G HA2 -0.269 3.693 3.960 0.002 0.000 0.299 282 G HA3 -0.269 3.693 3.960 0.002 0.000 0.299 282 G C 0.236 175.086 174.900 -0.084 0.000 0.990 282 G CA -0.084 44.957 45.100 -0.098 0.000 1.118 282 G HN 0.283 nan 8.290 nan 0.000 0.513 283 I N 0.621 121.132 120.570 -0.098 0.000 2.556 283 I HA 0.069 4.240 4.170 0.002 0.000 0.284 283 I C 1.106 177.171 176.117 -0.087 0.000 1.114 283 I CA 0.016 61.265 61.300 -0.085 0.000 1.418 283 I CB 0.774 38.724 38.000 -0.083 0.000 1.394 283 I HN 0.246 nan 8.210 nan 0.000 0.552 284 D N 6.018 126.368 120.400 -0.083 0.000 2.144 284 D HA 0.075 4.716 4.640 0.002 0.000 0.207 284 D C 0.419 176.638 176.300 -0.134 0.000 0.970 284 D CA 1.204 55.134 54.000 -0.116 0.000 0.853 284 D CB 0.425 41.123 40.800 -0.170 0.000 1.007 284 D HN 0.343 nan 8.370 nan 0.000 0.469 285 L N 1.126 122.284 121.223 -0.108 0.000 2.376 285 L HA 0.449 4.791 4.340 0.002 0.000 0.275 285 L C -1.048 175.801 176.870 -0.035 0.000 0.987 285 L CA -0.823 53.947 54.840 -0.118 0.000 0.828 285 L CB 2.548 44.529 42.059 -0.129 0.000 1.249 285 L HN -0.143 nan 8.230 nan 0.000 0.409 286 L N 3.663 124.843 121.223 -0.072 0.000 2.345 286 L HA 0.552 4.894 4.340 0.002 0.000 0.274 286 L C -1.072 175.887 176.870 0.149 0.000 0.999 286 L CA 0.115 54.980 54.840 0.041 0.000 0.849 286 L CB 0.912 42.939 42.059 -0.054 0.000 1.220 286 L HN 0.253 nan 8.230 nan 0.000 0.422 287 F N 2.948 122.929 119.950 0.051 0.000 2.410 287 F HA 0.276 4.805 4.527 0.002 0.000 0.348 287 F C 0.599 176.653 175.800 0.422 0.000 1.106 287 F CA -0.323 57.801 58.000 0.207 0.000 1.163 287 F CB 0.997 40.074 39.000 0.128 0.000 1.129 287 F HN 0.452 nan 8.300 nan 0.000 0.516 288 D N 5.173 125.793 120.400 0.367 0.000 2.411 288 D HA 0.185 4.826 4.640 0.002 0.000 0.225 288 D C -0.184 176.234 176.300 0.197 0.000 1.156 288 D CA -0.073 53.929 54.000 0.005 0.000 0.874 288 D CB 0.530 40.825 40.800 -0.842 0.000 1.034 288 D HN 0.458 nan 8.370 nan 0.000 0.502 289 L N 4.303 125.701 121.223 0.291 0.000 3.073 289 L HA 0.323 4.664 4.340 0.002 0.000 0.242 289 L C 1.511 178.438 176.870 0.094 0.000 1.317 289 L CA -0.167 54.809 54.840 0.226 0.000 1.081 289 L CB 0.063 42.283 42.059 0.269 0.000 1.456 289 L HN 0.211 nan 8.230 nan 0.000 0.525 290 R N -0.174 120.360 120.500 0.057 0.000 2.056 290 R HA 0.195 4.536 4.340 0.002 0.000 0.215 290 R C 1.896 178.233 176.300 0.062 0.000 1.205 290 R CA 0.965 57.077 56.100 0.021 0.000 1.020 290 R CB -0.033 30.262 30.300 -0.007 0.000 0.911 290 R HN 0.359 nan 8.270 nan 0.000 0.451 291 G N -1.116 107.752 108.800 0.114 0.000 2.621 291 G HA2 -0.077 3.885 3.960 0.002 0.000 0.209 291 G HA3 -0.077 3.885 3.960 0.002 0.000 0.209 291 G C 0.426 175.204 174.900 -0.203 0.000 1.379 291 G CA -0.402 44.680 45.100 -0.031 0.000 0.766 291 G HN 0.251 nan 8.290 nan 0.000 0.599 292 W N 2.216 123.373 121.300 -0.239 0.000 3.353 292 W HA 0.470 5.131 4.660 0.002 0.000 0.304 292 W C 1.360 177.859 176.519 -0.033 0.000 1.273 292 W CA -0.324 56.877 57.345 -0.238 0.000 1.773 292 W CB 0.617 29.753 29.460 -0.540 0.000 1.095 292 W HN 0.315 nan 8.180 nan 0.000 0.676 293 G N 0.419 109.334 108.800 0.191 0.000 2.537 293 G HA2 0.406 4.368 3.960 0.002 0.000 0.273 293 G HA3 0.406 4.368 3.960 0.002 0.000 0.273 293 G C 0.444 175.275 174.900 -0.114 0.000 1.189 293 G CA -0.429 44.578 45.100 -0.156 0.000 0.881 293 G HN 0.073 nan 8.290 nan 0.000 0.535 294 G N -1.167 107.512 108.800 -0.202 0.000 2.707 294 G HA2 0.494 4.455 3.960 0.002 0.000 0.231 294 G HA3 0.494 4.455 3.960 0.002 0.000 0.231 294 G C 1.078 175.953 174.900 -0.041 0.000 1.246 294 G CA 0.836 45.894 45.100 -0.069 0.000 0.852 294 G HN 1.984 nan 8.290 nan 0.000 0.584 295 G N 0.002 108.804 108.800 0.003 0.000 2.402 295 G HA2 0.277 4.238 3.960 0.002 0.000 0.241 295 G HA3 0.277 4.238 3.960 0.002 0.000 0.241 295 G C 0.808 175.725 174.900 0.028 0.000 0.871 295 G CA 0.501 45.605 45.100 0.007 0.000 1.232 295 G HN 1.540 nan 8.290 nan 0.000 0.369 296 G N 0.257 109.100 108.800 0.072 0.000 2.486 296 G HA2 0.668 4.629 3.960 0.002 0.000 0.272 296 G HA3 0.668 4.629 3.960 0.002 0.000 0.272 296 G C 0.614 175.556 174.900 0.069 0.000 1.426 296 G CA -0.096 45.050 45.100 0.077 0.000 1.058 296 G HN 1.206 nan 8.290 nan 0.000 0.531 297 R N -0.960 119.560 120.500 0.033 0.000 2.358 297 R HA -0.012 4.330 4.340 0.002 0.000 0.117 297 R C -2.149 174.106 176.300 -0.076 0.000 0.749 297 R CA -0.413 55.692 56.100 0.010 0.000 0.733 297 R CB 0.726 31.098 30.300 0.120 0.000 1.113 297 R HN 0.369 nan 8.270 nan 0.000 0.565 298 P HA -0.212 nan 4.420 nan 0.000 0.217 298 P C 1.012 178.034 177.300 -0.463 0.000 1.150 298 P CA 1.368 64.284 63.100 -0.307 0.000 0.832 298 P CB 0.194 31.633 31.700 -0.435 0.000 0.787 299 E N 0.111 120.022 120.200 -0.483 0.000 2.265 299 E HA -0.081 4.270 4.350 0.002 0.000 0.196 299 E C 1.983 178.300 176.600 -0.471 0.000 0.996 299 E CA 0.786 56.855 56.400 -0.552 0.000 0.832 299 E CB -1.499 27.859 29.700 -0.570 0.000 0.756 299 E HN 0.126 nan 8.360 nan 0.000 0.491 300 V N 0.684 120.381 119.914 -0.361 0.000 2.270 300 V HA -0.216 3.905 4.120 0.002 0.000 0.245 300 V C 2.084 177.948 176.094 -0.385 0.000 1.043 300 V CA 1.768 63.904 62.300 -0.275 0.000 1.014 300 V CB -0.685 31.034 31.823 -0.173 0.000 0.645 300 V HN 0.104 nan 8.190 nan 0.000 0.447 301 F N 0.432 120.100 119.950 -0.470 0.000 2.451 301 F HA 0.005 4.534 4.527 0.002 0.000 0.299 301 F C 2.248 177.530 175.800 -0.863 0.000 1.101 301 F CA 1.003 58.694 58.000 -0.515 0.000 1.436 301 F CB -0.468 38.305 39.000 -0.378 0.000 1.074 301 F HN 0.099 nan 8.300 nan 0.000 0.553 302 A N -0.515 121.695 122.820 -1.017 0.000 2.119 302 A HA 0.037 4.359 4.320 0.002 0.000 0.216 302 A C 1.875 179.213 177.584 -0.410 0.000 1.152 302 A CA 0.677 52.077 52.037 -1.061 0.000 0.708 302 A CB -0.735 17.559 19.000 -1.176 0.000 0.805 302 A HN 0.389 nan 8.150 nan 0.000 0.460 303 L N -0.237 120.783 121.223 -0.339 0.000 2.612 303 L HA 0.071 4.412 4.340 0.002 0.000 0.230 303 L C 0.127 176.898 176.870 -0.165 0.000 1.140 303 L CA -0.345 54.373 54.840 -0.203 0.000 0.896 303 L CB -0.269 41.677 42.059 -0.188 0.000 1.065 303 L HN 0.355 nan 8.230 nan 0.000 0.447 304 R N -0.330 120.069 120.500 -0.168 0.000 2.747 304 R HA -0.181 4.161 4.340 0.002 0.000 0.236 304 R C -1.742 174.471 176.300 -0.146 0.000 0.819 304 R CA 0.083 56.116 56.100 -0.111 0.000 0.575 304 R CB -1.237 29.050 30.300 -0.022 0.000 1.219 304 R HN 0.295 nan 8.270 nan 0.000 0.518 305 P HA -0.119 nan 4.420 nan 0.000 0.222 305 P C 0.294 177.475 177.300 -0.198 0.000 1.147 305 P CA 1.620 64.586 63.100 -0.223 0.000 0.790 305 P CB 0.389 31.896 31.700 -0.321 0.000 0.780 306 A N 0.418 123.123 122.820 -0.193 0.000 2.354 306 A HA 0.583 4.904 4.320 0.002 0.000 0.321 306 A C -1.954 175.570 177.584 -0.099 0.000 1.125 306 A CA -1.690 50.258 52.037 -0.148 0.000 0.799 306 A CB 0.980 19.885 19.000 -0.158 0.000 1.293 306 A HN -0.130 nan 8.150 nan 0.000 0.452 307 P HA 0.116 nan 4.420 nan 0.000 0.239 307 P C -0.171 177.063 177.300 -0.110 0.000 1.188 307 P CA 0.584 63.641 63.100 -0.072 0.000 0.794 307 P CB 0.389 32.054 31.700 -0.058 0.000 0.937 308 V N 1.198 121.026 119.914 -0.144 0.000 2.525 308 V HA 0.302 4.424 4.120 0.002 0.000 0.299 308 V C -0.540 175.495 176.094 -0.099 0.000 1.034 308 V CA -0.410 61.787 62.300 -0.173 0.000 0.863 308 V CB 2.125 33.747 31.823 -0.336 0.000 0.999 308 V HN -0.035 nan 8.190 nan 0.000 0.423 309 Q N 3.842 123.632 119.800 -0.016 0.000 2.290 309 Q HA 0.663 5.004 4.340 0.002 0.000 0.269 309 Q C -1.471 174.530 176.000 0.001 0.000 1.016 309 Q CA -0.596 55.239 55.803 0.054 0.000 0.754 309 Q CB 3.009 31.889 28.738 0.236 0.000 1.247 309 Q HN 0.550 nan 8.270 nan 0.000 0.451 310 V N 2.371 122.182 119.914 -0.171 0.000 2.495 310 V HA 0.368 4.489 4.120 0.002 0.000 0.298 310 V C -0.373 175.693 176.094 -0.046 0.000 1.031 310 V CA -0.959 61.193 62.300 -0.246 0.000 0.871 310 V CB 1.799 33.080 31.823 -0.904 0.000 0.988 310 V HN 0.680 nan 8.190 nan 0.000 0.432 311 N N 3.671 122.426 118.700 0.091 0.000 2.425 311 N HA 0.426 5.168 4.740 0.002 0.000 0.268 311 N C -1.444 174.299 175.510 0.388 0.000 0.991 311 N CA -0.407 52.745 53.050 0.169 0.000 0.931 311 N CB 1.246 39.789 38.487 0.094 0.000 1.130 311 N HN 0.738 nan 8.380 nan 0.000 0.493 312 W N 5.038 126.502 121.300 0.274 0.000 3.372 312 W HA 0.425 5.087 4.660 0.003 0.000 0.315 312 W C -0.840 175.912 176.519 0.388 0.000 1.223 312 W CA -1.168 56.405 57.345 0.381 0.000 1.202 312 W CB 0.435 30.273 29.460 0.631 0.000 1.367 312 W HN 0.520 nan 8.180 nan 0.000 0.531 313 L N 3.977 125.161 121.223 -0.065 0.000 3.677 313 L HA -0.101 4.241 4.340 0.002 0.000 0.464 313 L C 0.073 176.920 176.870 -0.038 0.000 1.278 313 L CA 2.617 57.305 54.840 -0.253 0.000 0.806 313 L CB -1.397 39.842 42.059 -1.366 0.000 1.610 313 L HN 1.165 nan 8.230 nan 0.000 0.867 314 A N 0.195 123.105 122.820 0.151 0.000 1.547 314 A HA 0.212 4.533 4.320 0.002 0.000 0.206 314 A C -0.243 177.547 177.584 0.345 0.000 1.773 314 A CA 0.399 52.554 52.037 0.196 0.000 1.530 314 A CB -0.227 18.864 19.000 0.153 0.000 1.435 314 A HN 0.781 nan 8.150 nan 0.000 0.420 315 Y N 3.560 123.971 120.300 0.184 0.000 2.369 315 Y HA 0.602 5.154 4.550 0.002 0.000 0.337 315 Y C -2.517 173.434 175.900 0.085 0.000 0.961 315 Y CA -2.723 55.511 58.100 0.224 0.000 1.186 315 Y CB 1.755 40.346 38.460 0.218 0.000 1.139 315 Y HN 0.145 nan 8.280 nan 0.000 0.494 316 P HA 0.307 nan 4.420 nan 0.000 0.225 316 P C -0.134 176.766 177.300 -0.667 0.000 1.768 316 P CA 0.559 63.427 63.100 -0.387 0.000 0.943 316 P CB -0.012 31.714 31.700 0.042 0.000 1.936 317 G N -1.096 107.244 108.800 -0.766 0.000 2.428 317 G HA2 0.280 4.242 3.960 0.002 0.000 0.304 317 G HA3 0.280 4.242 3.960 0.002 0.000 0.304 317 G C -1.418 173.480 174.900 -0.004 0.000 1.303 317 G CA -0.438 44.421 45.100 -0.402 0.000 0.825 317 G HN 0.093 nan 8.290 nan 0.000 0.484 318 T N -0.732 113.666 114.554 -0.259 0.000 2.899 318 T HA 0.418 4.769 4.350 0.002 0.000 0.295 318 T C 1.849 176.677 174.700 0.213 0.000 1.033 318 T CA 0.884 62.848 62.100 -0.228 0.000 1.084 318 T CB 0.835 69.306 68.868 -0.662 0.000 0.979 318 T HN 1.449 nan 8.240 nan 0.000 0.532 319 S N 2.449 118.227 115.700 0.129 0.000 2.501 319 S HA 0.203 4.674 4.470 0.002 0.000 0.220 319 S C 1.929 176.606 174.600 0.128 0.000 0.997 319 S CA 0.682 58.941 58.200 0.099 0.000 0.919 319 S CB -0.579 62.515 63.200 -0.177 0.000 0.778 319 S HN 1.585 nan 8.310 nan 0.000 0.523 320 G N 1.235 110.029 108.800 -0.011 0.000 2.244 320 G HA2 -0.182 3.779 3.960 0.002 0.000 0.274 320 G HA3 -0.182 3.779 3.960 0.002 0.000 0.274 320 G C 0.216 174.991 174.900 -0.208 0.000 1.002 320 G CA 0.366 45.420 45.100 -0.076 0.000 0.740 320 G HN 1.351 nan 8.290 nan 0.000 0.516 321 A N 0.143 122.717 122.820 -0.411 0.000 2.301 321 A HA 0.798 5.120 4.320 0.002 0.000 0.312 321 A C -0.349 176.810 177.584 -0.709 0.000 1.182 321 A CA -1.006 50.485 52.037 -0.910 0.000 0.826 321 A CB 1.312 19.228 19.000 -1.806 0.000 1.134 321 A HN 0.076 nan 8.150 nan 0.000 0.501 322 P HA -0.057 nan 4.420 nan 0.000 0.233 322 P C 0.525 177.768 177.300 -0.094 0.000 1.167 322 P CA 0.834 63.808 63.100 -0.211 0.000 0.770 322 P CB -0.040 31.620 31.700 -0.067 0.000 0.837 323 W N -1.948 119.343 121.300 -0.016 0.000 3.278 323 W HA 0.582 5.243 4.660 0.002 0.000 0.308 323 W C 0.045 176.555 176.519 -0.015 0.000 1.253 323 W CA -0.773 56.564 57.345 -0.013 0.000 1.759 323 W CB -0.847 28.611 29.460 -0.003 0.000 1.093 323 W HN -0.284 nan 8.180 nan 0.000 0.648 324 M N 2.698 122.219 119.600 -0.133 0.000 2.125 324 M HA 0.260 4.742 4.480 0.002 0.000 0.321 324 M C 0.471 176.712 176.300 -0.097 0.000 0.983 324 M CA -0.220 55.042 55.300 -0.064 0.000 0.934 324 M CB 1.216 33.688 32.600 -0.214 0.000 1.542 324 M HN -0.043 nan 8.290 nan 0.000 0.424 325 D N 3.312 123.668 120.400 -0.074 0.000 2.201 325 D HA 0.019 4.661 4.640 0.002 0.000 0.209 325 D C -0.477 175.554 176.300 -0.449 0.000 0.961 325 D CA 1.391 55.230 54.000 -0.268 0.000 0.861 325 D CB 0.226 40.880 40.800 -0.244 0.000 0.997 325 D HN 0.463 nan 8.370 nan 0.000 0.486 326 Y N -0.452 119.837 120.300 -0.020 0.000 2.512 326 Y HA 0.440 4.991 4.550 0.002 0.000 0.348 326 Y C -0.330 175.576 175.900 0.010 0.000 0.990 326 Y CA -1.044 57.059 58.100 0.005 0.000 1.033 326 Y CB 2.487 40.915 38.460 -0.054 0.000 1.259 326 Y HN -0.352 nan 8.280 nan 0.000 0.461 327 V N 4.537 124.577 119.914 0.210 0.000 2.581 327 V HA 0.624 4.746 4.120 0.002 0.000 0.303 327 V C -1.511 174.668 176.094 0.141 0.000 1.041 327 V CA -0.815 61.578 62.300 0.154 0.000 0.907 327 V CB 1.661 33.548 31.823 0.107 0.000 0.994 327 V HN 0.628 nan 8.190 nan 0.000 0.442 328 L N 7.116 128.459 121.223 0.198 0.000 2.296 328 L HA 0.978 5.320 4.340 0.002 0.000 0.286 328 L C 0.184 177.230 176.870 0.293 0.000 1.023 328 L CA 1.007 55.959 54.840 0.187 0.000 0.812 328 L CB 0.990 43.104 42.059 0.092 0.000 1.223 328 L HN 0.802 nan 8.230 nan 0.000 0.421 329 G N 3.130 112.072 108.800 0.236 0.000 3.195 329 G HA2 0.644 4.606 3.960 0.002 0.000 0.217 329 G HA3 0.644 4.606 3.960 0.002 0.000 0.217 329 G C -1.661 173.453 174.900 0.357 0.000 1.166 329 G CA 0.034 45.341 45.100 0.345 0.000 0.812 329 G HN 0.706 nan 8.290 nan 0.000 0.617 330 D N -2.496 118.110 120.400 0.343 0.000 2.579 330 D HA 0.568 5.210 4.640 0.002 0.000 0.257 330 D C 0.943 177.401 176.300 0.263 0.000 1.176 330 D CA 0.094 54.276 54.000 0.302 0.000 0.914 330 D CB 1.194 42.215 40.800 0.370 0.000 1.431 330 D HN 0.671 nan 8.370 nan 0.000 0.454 331 A N -0.168 122.816 122.820 0.273 0.000 2.024 331 A HA -0.070 4.251 4.320 0.002 0.000 0.220 331 A C 1.680 179.366 177.584 0.169 0.000 1.164 331 A CA 1.253 53.408 52.037 0.196 0.000 0.643 331 A CB -0.962 18.160 19.000 0.203 0.000 0.806 331 A HN 0.539 nan 8.150 nan 0.000 0.451 332 F N -0.205 119.820 119.950 0.124 0.000 2.188 332 F HA 0.261 4.789 4.527 0.003 0.000 0.289 332 F C 2.396 178.179 175.800 -0.029 0.000 1.082 332 F CA 1.164 59.163 58.000 -0.003 0.000 1.282 332 F CB -0.052 38.932 39.000 -0.028 0.000 1.060 332 F HN 0.191 nan 8.300 nan 0.000 0.493 333 A N -0.342 122.642 122.820 0.272 0.000 2.081 333 A HA 0.196 4.517 4.320 0.002 0.000 0.214 333 A C 0.750 178.269 177.584 -0.108 0.000 1.158 333 A CA 0.411 52.417 52.037 -0.052 0.000 0.724 333 A CB -0.297 18.443 19.000 -0.434 0.000 0.826 333 A HN 0.340 nan 8.150 nan 0.000 0.463 334 L N 1.572 122.841 121.223 0.077 0.000 2.470 334 L HA 0.329 4.671 4.340 0.002 0.000 0.253 334 L C -2.853 174.039 176.870 0.036 0.000 1.163 334 L CA -2.271 52.637 54.840 0.115 0.000 0.932 334 L CB 2.341 44.481 42.059 0.135 0.000 1.213 334 L HN 0.051 nan 8.230 nan 0.000 0.485 335 P HA 0.341 nan 4.420 nan 0.000 0.279 335 P C -2.339 174.957 177.300 -0.006 0.000 1.252 335 P CA -1.649 61.431 63.100 -0.034 0.000 0.811 335 P CB 0.631 32.262 31.700 -0.114 0.000 1.035 336 P HA -0.260 nan 4.420 nan 0.000 0.218 336 P C 1.414 178.722 177.300 0.013 0.000 1.152 336 P CA 2.479 65.576 63.100 -0.004 0.000 0.857 336 P CB -0.663 31.031 31.700 -0.009 0.000 0.787 337 A N -1.760 121.070 122.820 0.017 0.000 2.139 337 A HA -0.157 4.164 4.320 0.002 0.000 0.221 337 A C 2.003 179.671 177.584 0.140 0.000 1.159 337 A CA 1.430 53.498 52.037 0.052 0.000 0.662 337 A CB -1.238 17.780 19.000 0.029 0.000 0.796 337 A HN 0.266 nan 8.150 nan 0.000 0.463 338 L N -1.903 119.413 121.223 0.155 0.000 2.731 338 L HA 0.288 4.630 4.340 0.002 0.000 0.240 338 L C 1.629 178.701 176.870 0.338 0.000 1.120 338 L CA 0.528 55.555 54.840 0.312 0.000 0.913 338 L CB 0.018 42.226 42.059 0.247 0.000 1.213 338 L HN 0.352 nan 8.230 nan 0.000 0.515 339 E N 0.487 120.775 120.200 0.146 0.000 2.130 339 E HA -0.208 4.143 4.350 0.002 0.000 0.196 339 E C -0.820 175.818 176.600 0.065 0.000 0.998 339 E CA 1.657 58.107 56.400 0.084 0.000 0.806 339 E CB -0.722 28.962 29.700 -0.027 0.000 0.738 339 E HN 0.467 nan 8.360 nan 0.000 0.459 340 P HA -0.145 nan 4.420 nan 0.000 0.221 340 P C 0.323 177.428 177.300 -0.324 0.000 1.145 340 P CA 1.083 64.004 63.100 -0.298 0.000 0.795 340 P CB 0.017 31.382 31.700 -0.559 0.000 0.775 341 F N -3.365 116.638 119.950 0.088 0.000 2.692 341 F HA 0.188 4.717 4.527 0.003 0.000 0.303 341 F C 0.544 176.313 175.800 -0.050 0.000 1.114 341 F CA -0.239 57.776 58.000 0.025 0.000 1.361 341 F CB -0.663 38.346 39.000 0.015 0.000 1.063 341 F HN -0.115 nan 8.300 nan 0.000 0.550 342 Y N -0.412 119.939 120.300 0.085 0.000 2.352 342 Y HA 0.200 4.752 4.550 0.002 0.000 0.339 342 Y C 1.633 177.524 175.900 -0.016 0.000 0.992 342 Y CA -0.704 57.420 58.100 0.040 0.000 1.100 342 Y CB 1.558 40.034 38.460 0.026 0.000 1.192 342 Y HN -0.031 nan 8.280 nan 0.000 0.458 343 S N 0.476 116.203 115.700 0.045 0.000 2.383 343 S HA -0.087 4.384 4.470 0.002 0.000 0.227 343 S C 0.307 174.906 174.600 -0.001 0.000 1.026 343 S CA 0.493 58.687 58.200 -0.010 0.000 0.981 343 S CB -0.266 62.891 63.200 -0.072 0.000 0.818 343 S HN 0.661 nan 8.310 nan 0.000 0.472 344 E N 1.441 121.673 120.200 0.054 0.000 2.409 344 E HA 0.220 4.572 4.350 0.002 0.000 0.257 344 E C 0.134 176.766 176.600 0.052 0.000 1.150 344 E CA -0.212 56.204 56.400 0.028 0.000 0.942 344 E CB 0.206 29.960 29.700 0.090 0.000 0.979 344 E HN 0.333 nan 8.360 nan 0.000 0.447 345 H N 0.927 119.934 119.070 -0.105 0.000 2.652 345 H HA 0.176 4.733 4.556 0.002 0.000 0.349 345 H C -0.875 174.510 175.328 0.096 0.000 1.099 345 H CA -0.315 55.719 56.048 -0.023 0.000 1.417 345 H CB 0.589 30.295 29.762 -0.093 0.000 1.457 345 H HN 0.125 nan 8.280 nan 0.000 0.568 346 V N 7.418 127.384 119.914 0.087 0.000 2.432 346 V HA 0.197 4.318 4.120 0.002 0.000 0.275 346 V C 0.440 176.677 176.094 0.238 0.000 1.043 346 V CA -0.413 61.944 62.300 0.095 0.000 0.925 346 V CB 1.126 32.904 31.823 -0.076 0.000 0.985 346 V HN 0.522 nan 8.190 nan 0.000 0.466 347 L N 5.728 127.058 121.223 0.179 0.000 2.322 347 L HA 0.751 5.092 4.340 0.002 0.000 0.269 347 L C -0.137 176.777 176.870 0.073 0.000 1.012 347 L CA -0.875 54.031 54.840 0.110 0.000 0.815 347 L CB 1.981 44.057 42.059 0.030 0.000 1.295 347 L HN 0.512 nan 8.230 nan 0.000 0.438 348 R N 1.533 122.064 120.500 0.053 0.000 2.533 348 R HA 0.543 4.885 4.340 0.002 0.000 0.288 348 R C -1.367 174.946 176.300 0.022 0.000 1.039 348 R CA -0.806 55.335 56.100 0.069 0.000 0.909 348 R CB 2.099 32.452 30.300 0.088 0.000 1.195 348 R HN 0.416 nan 8.270 nan 0.000 0.438 349 L N 2.190 123.417 121.223 0.007 0.000 2.464 349 L HA 0.094 4.436 4.340 0.002 0.000 0.264 349 L C 1.873 178.705 176.870 -0.063 0.000 1.199 349 L CA 0.062 54.849 54.840 -0.088 0.000 0.818 349 L CB 0.551 42.484 42.059 -0.209 0.000 1.102 349 L HN 0.628 nan 8.230 nan 0.000 0.473 350 Q N 0.766 120.509 119.800 -0.095 0.000 2.124 350 Q HA -0.101 4.240 4.340 0.002 0.000 0.202 350 Q C 1.051 177.041 176.000 -0.017 0.000 0.977 350 Q CA 1.501 57.284 55.803 -0.032 0.000 0.850 350 Q CB 0.062 28.781 28.738 -0.032 0.000 0.901 350 Q HN 0.920 nan 8.270 nan 0.000 0.429 351 G N -0.408 108.310 108.800 -0.137 0.000 2.945 351 G HA2 0.553 4.514 3.960 0.002 0.000 0.156 351 G HA3 0.553 4.514 3.960 0.002 0.000 0.156 351 G C -0.907 173.610 174.900 -0.638 0.000 1.375 351 G CA -0.031 44.908 45.100 -0.269 0.000 1.039 351 G HN 0.337 nan 8.290 nan 0.000 0.586 352 A N -0.739 121.586 122.820 -0.825 0.000 2.407 352 A HA 0.456 4.778 4.320 0.002 0.000 0.248 352 A C 0.897 178.488 177.584 0.012 0.000 1.082 352 A CA 0.076 51.802 52.037 -0.518 0.000 0.785 352 A CB -0.019 18.779 19.000 -0.337 0.000 1.020 352 A HN 1.111 nan 8.150 nan 0.000 0.489 353 F N 0.431 120.466 119.950 0.143 0.000 2.293 353 F HA -0.004 4.524 4.527 0.002 0.000 0.300 353 F C 0.969 177.123 175.800 0.589 0.000 1.086 353 F CA 1.100 59.342 58.000 0.403 0.000 1.375 353 F CB -0.070 39.246 39.000 0.528 0.000 1.045 353 F HN 0.597 nan 8.300 nan 0.000 0.516 354 Q N 3.509 122.982 119.800 -0.544 0.000 2.290 354 Q HA 0.362 4.703 4.340 0.002 0.000 0.259 354 Q C -2.603 173.162 176.000 -0.392 0.000 0.941 354 Q CA -2.696 52.690 55.803 -0.696 0.000 0.912 354 Q CB 1.716 29.760 28.738 -1.158 0.000 1.244 354 Q HN 0.047 nan 8.270 nan 0.000 0.441 355 P HA 0.304 nan 4.420 nan 0.000 0.284 355 P C -1.220 175.737 177.300 -0.572 0.000 1.292 355 P CA -0.300 62.251 63.100 -0.915 0.000 0.800 355 P CB 1.454 32.456 31.700 -1.163 0.000 1.188 356 S N -2.437 112.955 115.700 -0.513 0.000 2.636 356 S HA 0.283 4.754 4.470 0.002 0.000 0.268 356 S C -1.249 173.119 174.600 -0.386 0.000 1.159 356 S CA -0.779 57.199 58.200 -0.370 0.000 0.815 356 S CB 0.588 63.637 63.200 -0.251 0.000 1.130 356 S HN 0.379 nan 8.310 nan 0.000 0.471 357 D N 1.687 121.856 120.400 -0.385 0.000 2.402 357 D HA 0.277 4.918 4.640 0.002 0.000 0.235 357 D C 1.042 177.003 176.300 -0.565 0.000 1.226 357 D CA 0.080 53.857 54.000 -0.372 0.000 0.918 357 D CB 0.726 41.366 40.800 -0.266 0.000 1.043 357 D HN 0.684 nan 8.370 nan 0.000 0.506 358 T N -0.516 113.737 114.554 -0.501 0.000 3.278 358 T HA 0.032 4.384 4.350 0.002 0.000 0.251 358 T C 1.335 175.926 174.700 -0.181 0.000 1.039 358 T CA 0.047 61.745 62.100 -0.669 0.000 0.935 358 T CB -0.124 68.526 68.868 -0.364 0.000 1.034 358 T HN 0.179 nan 8.240 nan 0.000 0.575 359 S N 0.302 115.938 115.700 -0.107 0.000 2.497 359 S HA 0.244 4.715 4.470 0.002 0.000 0.218 359 S C 0.876 175.550 174.600 0.123 0.000 1.023 359 S CA -0.753 57.471 58.200 0.040 0.000 0.913 359 S CB -0.305 62.895 63.200 -0.001 0.000 0.800 359 S HN 0.431 nan 8.310 nan 0.000 0.505 360 R N 1.932 122.501 120.500 0.115 0.000 2.488 360 R HA 0.190 4.532 4.340 0.002 0.000 0.317 360 R C -0.964 175.535 176.300 0.332 0.000 0.941 360 R CA -0.028 56.203 56.100 0.218 0.000 1.076 360 R CB 0.075 30.514 30.300 0.232 0.000 0.917 360 R HN 0.164 nan 8.270 nan 0.000 0.407 361 V N 5.710 125.733 119.914 0.181 0.000 2.389 361 V HA 0.037 4.159 4.120 0.002 0.000 0.264 361 V C 0.481 176.628 176.094 0.087 0.000 1.049 361 V CA -0.465 61.900 62.300 0.109 0.000 0.932 361 V CB 1.221 33.080 31.823 0.059 0.000 1.011 361 V HN 0.461 nan 8.190 nan 0.000 0.475 362 V N 5.574 125.512 119.914 0.040 0.000 2.529 362 V HA 0.322 4.444 4.120 0.002 0.000 0.292 362 V C 0.997 177.080 176.094 -0.018 0.000 1.028 362 V CA 0.121 62.422 62.300 0.001 0.000 1.074 362 V CB 0.306 32.080 31.823 -0.082 0.000 0.958 362 V HN 0.990 nan 8.190 nan 0.000 0.481 363 A N 5.153 127.966 122.820 -0.012 0.000 2.262 363 A HA 0.419 4.741 4.320 0.002 0.000 0.273 363 A C 0.405 177.970 177.584 -0.032 0.000 1.202 363 A CA -0.413 51.615 52.037 -0.014 0.000 0.811 363 A CB 0.166 19.163 19.000 -0.005 0.000 1.159 363 A HN 0.769 nan 8.150 nan 0.000 0.505 364 E N 1.131 121.318 120.200 -0.021 0.000 2.200 364 E HA 0.387 4.738 4.350 0.002 0.000 0.283 364 E C -2.225 174.366 176.600 -0.015 0.000 1.015 364 E CA -1.601 54.784 56.400 -0.025 0.000 0.819 364 E CB 0.855 30.551 29.700 -0.006 0.000 1.081 364 E HN 0.422 nan 8.360 nan 0.000 0.397 365 P HA 0.346 nan 4.420 nan 0.000 0.279 365 P C -2.541 174.835 177.300 0.126 0.000 1.252 365 P CA -1.515 61.593 63.100 0.013 0.000 0.811 365 P CB -0.087 31.545 31.700 -0.113 0.000 1.035 366 P HA 0.040 nan 4.420 nan 0.000 0.271 366 P C 0.145 177.577 177.300 0.221 0.000 1.233 366 P CA -0.153 63.034 63.100 0.145 0.000 0.789 366 P CB 0.024 31.785 31.700 0.103 0.000 0.951 367 S N 1.148 116.904 115.700 0.093 0.000 2.554 367 S HA -0.048 4.424 4.470 0.002 0.000 0.290 367 S C 1.327 175.811 174.600 -0.193 0.000 1.309 367 S CA -0.047 58.136 58.200 -0.028 0.000 1.047 367 S CB 0.158 63.328 63.200 -0.050 0.000 0.828 367 S HN 0.338 nan 8.310 nan 0.000 0.509 368 R N 1.521 121.703 120.500 -0.531 0.000 2.159 368 R HA -0.152 4.190 4.340 0.002 0.000 0.252 368 R C 2.447 178.565 176.300 -0.304 0.000 1.144 368 R CA 2.427 58.186 56.100 -0.569 0.000 0.961 368 R CB -1.411 28.568 30.300 -0.535 0.000 0.877 368 R HN 0.856 nan 8.270 nan 0.000 0.444 369 T N 0.456 114.888 114.554 -0.203 0.000 2.746 369 T HA -0.174 4.177 4.350 0.002 0.000 0.267 369 T C 1.709 176.354 174.700 -0.091 0.000 1.039 369 T CA 1.177 63.197 62.100 -0.133 0.000 1.142 369 T CB -0.118 68.693 68.868 -0.095 0.000 0.866 369 T HN 0.350 nan 8.240 nan 0.000 0.444 370 Q N -0.543 119.219 119.800 -0.064 0.000 2.364 370 Q HA -0.004 4.338 4.340 0.002 0.000 0.207 370 Q C 1.503 177.505 176.000 0.004 0.000 0.970 370 Q CA 0.643 56.436 55.803 -0.017 0.000 0.888 370 Q CB -0.114 28.629 28.738 0.008 0.000 0.951 370 Q HN 0.477 nan 8.270 nan 0.000 0.469 371 C N -0.563 118.720 119.300 -0.028 0.000 2.780 371 C HA 0.340 4.802 4.460 0.002 0.000 0.287 371 C C 1.415 176.346 174.990 -0.098 0.000 1.288 371 C CA 0.204 59.229 59.018 0.012 0.000 1.713 371 C CB -0.592 27.191 27.740 0.071 0.000 1.955 371 C HN 0.743 nan 8.230 nan 0.000 0.613 372 G N 1.090 109.822 108.800 -0.113 0.000 2.184 372 G HA2 -0.238 3.723 3.960 0.002 0.000 0.264 372 G HA3 -0.238 3.723 3.960 0.002 0.000 0.264 372 G C 0.038 174.806 174.900 -0.220 0.000 0.975 372 G CA 0.167 45.195 45.100 -0.120 0.000 0.642 372 G HN 0.532 nan 8.290 nan 0.000 0.536 373 L N 1.557 122.580 121.223 -0.332 0.000 2.439 373 L HA 0.543 4.884 4.340 0.002 0.000 0.259 373 L C -1.143 175.583 176.870 -0.239 0.000 1.129 373 L CA -2.196 52.423 54.840 -0.368 0.000 0.803 373 L CB 0.658 42.405 42.059 -0.521 0.000 1.161 373 L HN -0.016 nan 8.230 nan 0.000 0.462 374 P HA 0.173 nan 4.420 nan 0.000 0.279 374 P C -0.363 176.842 177.300 -0.159 0.000 1.276 374 P CA -0.428 62.583 63.100 -0.148 0.000 0.801 374 P CB 1.203 32.835 31.700 -0.113 0.000 1.127 375 E N -0.646 119.479 120.200 -0.125 0.000 2.060 375 E HA -0.023 4.328 4.350 0.002 0.000 0.189 375 E C 0.628 177.169 176.600 -0.099 0.000 0.974 375 E CA 1.040 57.368 56.400 -0.120 0.000 0.808 375 E CB -0.085 29.558 29.700 -0.094 0.000 0.768 375 E HN 0.451 nan 8.360 nan 0.000 0.453 376 Q N -0.055 119.697 119.800 -0.080 0.000 2.256 376 Q HA 0.496 4.837 4.340 0.002 0.000 0.232 376 Q C 0.460 176.418 176.000 -0.070 0.000 0.965 376 Q CA 0.056 55.819 55.803 -0.067 0.000 0.908 376 Q CB 1.103 29.809 28.738 -0.053 0.000 1.209 376 Q HN 0.281 nan 8.270 nan 0.000 0.489 377 G N -1.034 107.731 108.800 -0.058 0.000 2.662 377 G HA2 -0.120 3.841 3.960 0.002 0.000 0.686 377 G HA3 -0.120 3.841 3.960 0.002 0.000 0.686 377 G C -0.929 173.940 174.900 -0.052 0.000 1.271 377 G CA -0.608 44.460 45.100 -0.054 0.000 0.816 377 G HN 0.405 nan 8.290 nan 0.000 0.608 378 V N 0.276 120.166 119.914 -0.040 0.000 2.583 378 V HA 0.524 4.646 4.120 0.002 0.000 0.287 378 V C 1.083 177.163 176.094 -0.024 0.000 1.051 378 V CA 0.185 62.470 62.300 -0.026 0.000 1.010 378 V CB 1.406 33.218 31.823 -0.018 0.000 0.988 378 V HN 1.781 nan 8.190 nan 0.000 0.478 379 V N 7.424 127.339 119.914 0.001 0.000 2.293 379 V HA 0.538 4.660 4.120 0.002 0.000 0.275 379 V C -0.431 175.701 176.094 0.063 0.000 1.021 379 V CA -0.486 61.826 62.300 0.020 0.000 0.815 379 V CB 0.765 32.597 31.823 0.015 0.000 1.025 379 V HN 0.697 nan 8.190 nan 0.000 0.448 380 L N 7.003 128.240 121.223 0.023 0.000 2.326 380 L HA 0.846 5.188 4.340 0.002 0.000 0.278 380 L C 0.367 177.206 176.870 -0.051 0.000 1.092 380 L CA -0.252 54.587 54.840 -0.003 0.000 0.810 380 L CB 0.715 42.762 42.059 -0.020 0.000 1.153 380 L HN 0.763 nan 8.230 nan 0.000 0.439 381 C N 0.254 119.446 119.300 -0.181 0.000 2.971 381 C HA 0.843 5.304 4.460 0.002 0.000 0.310 381 C C -0.272 174.223 174.990 -0.825 0.000 1.285 381 C CA -1.198 57.557 59.018 -0.439 0.000 1.593 381 C CB 1.401 28.755 27.740 -0.643 0.000 2.076 381 C HN 1.098 nan 8.230 nan 0.000 0.472 382 C N 3.380 122.175 119.300 -0.841 0.000 3.362 382 C HA 0.613 5.075 4.460 0.002 0.000 0.276 382 C C -1.201 173.549 174.990 -0.402 0.000 1.102 382 C CA -0.402 58.128 59.018 -0.813 0.000 1.361 382 C CB -1.525 25.997 27.740 -0.363 0.000 1.822 382 C HN 0.744 nan 8.230 nan 0.000 0.538 383 F N 4.629 124.447 119.950 -0.220 0.000 2.390 383 F HA 0.579 5.107 4.527 0.002 0.000 0.361 383 F C 0.595 176.486 175.800 0.152 0.000 1.124 383 F CA 0.095 58.106 58.000 0.019 0.000 1.149 383 F CB 0.361 39.451 39.000 0.150 0.000 1.160 383 F HN 0.545 nan 8.300 nan 0.000 0.501 384 N N 1.094 119.922 118.700 0.212 0.000 3.046 384 N HA 0.189 4.930 4.740 0.002 0.000 0.243 384 N C -1.285 174.176 175.510 -0.081 0.000 1.452 384 N CA -0.875 52.223 53.050 0.080 0.000 0.882 384 N CB 1.519 40.039 38.487 0.055 0.000 1.425 384 N HN 0.316 nan 8.380 nan 0.000 0.517 385 N N 0.055 118.593 118.700 -0.269 0.000 2.513 385 N HA 0.026 4.768 4.740 0.002 0.000 0.268 385 N C 1.057 176.227 175.510 -0.566 0.000 1.180 385 N CA 0.263 53.006 53.050 -0.512 0.000 0.948 385 N CB 0.898 38.821 38.487 -0.940 0.000 1.083 385 N HN 0.633 nan 8.380 nan 0.000 0.455 386 S N 2.528 117.999 115.700 -0.382 0.000 2.392 386 S HA -0.286 4.186 4.470 0.002 0.000 0.232 386 S C 1.748 176.252 174.600 -0.160 0.000 1.041 386 S CA 1.524 59.604 58.200 -0.200 0.000 1.026 386 S CB -0.858 62.270 63.200 -0.120 0.000 0.845 386 S HN 0.770 nan 8.310 nan 0.000 0.465 387 Y N 1.748 122.049 120.300 0.001 0.000 2.497 387 Y HA 0.295 4.847 4.550 0.003 0.000 0.292 387 Y C 1.820 177.740 175.900 0.034 0.000 1.137 387 Y CA 0.282 58.397 58.100 0.025 0.000 1.285 387 Y CB -0.736 37.745 38.460 0.035 0.000 0.991 387 Y HN 0.202 nan 8.280 nan 0.000 0.556 388 K N 0.885 121.256 120.400 -0.049 0.000 2.365 388 K HA 0.177 4.498 4.320 0.002 0.000 0.197 388 K C 0.192 176.802 176.600 0.016 0.000 1.042 388 K CA 0.170 56.465 56.287 0.015 0.000 0.987 388 K CB 0.041 32.463 32.500 -0.130 0.000 0.779 388 K HN 0.292 nan 8.250 nan 0.000 0.484 389 L N 4.048 125.288 121.223 0.029 0.000 2.415 389 L HA 0.037 4.378 4.340 0.002 0.000 0.269 389 L C -0.221 176.741 176.870 0.154 0.000 1.244 389 L CA -0.681 54.215 54.840 0.094 0.000 1.113 389 L CB -1.031 41.105 42.059 0.130 0.000 1.352 389 L HN 0.237 nan 8.230 nan 0.000 0.433 390 N N 2.478 121.152 118.700 -0.044 0.000 2.447 390 N HA 0.384 5.125 4.740 0.002 0.000 0.271 390 N C -2.128 172.946 175.510 -0.726 0.000 1.226 390 N CA -2.399 50.429 53.050 -0.370 0.000 0.980 390 N CB 0.008 38.314 38.487 -0.301 0.000 1.206 390 N HN -0.130 nan 8.380 nan 0.000 0.558 391 P HA -0.207 nan 4.420 nan 0.000 0.216 391 P C 1.342 178.399 177.300 -0.404 0.000 1.153 391 P CA 1.681 64.089 63.100 -1.153 0.000 0.858 391 P CB 0.209 31.327 31.700 -0.970 0.000 0.789 392 Q N -0.546 119.070 119.800 -0.307 0.000 2.046 392 Q HA -0.122 4.220 4.340 0.002 0.000 0.200 392 Q C 2.022 177.950 176.000 -0.120 0.000 0.975 392 Q CA 1.909 57.617 55.803 -0.158 0.000 0.836 392 Q CB -0.317 28.339 28.738 -0.135 0.000 0.896 392 Q HN 0.132 nan 8.270 nan 0.000 0.428 393 S N 0.270 115.896 115.700 -0.124 0.000 2.355 393 S HA -0.099 4.372 4.470 0.002 0.000 0.222 393 S C 1.940 176.539 174.600 -0.002 0.000 1.031 393 S CA 1.084 59.228 58.200 -0.094 0.000 0.993 393 S CB -0.125 63.040 63.200 -0.059 0.000 0.859 393 S HN 0.360 nan 8.310 nan 0.000 0.453 394 M N 1.714 121.349 119.600 0.058 0.000 2.080 394 M HA -0.076 4.405 4.480 0.002 0.000 0.260 394 M C 2.532 179.027 176.300 0.325 0.000 1.068 394 M CA 1.652 57.106 55.300 0.257 0.000 1.109 394 M CB -1.801 31.054 32.600 0.424 0.000 1.342 394 M HN 0.380 nan 8.290 nan 0.000 0.405 395 A N 1.004 124.007 122.820 0.305 0.000 1.917 395 A HA -0.239 4.083 4.320 0.002 0.000 0.219 395 A C 2.227 179.883 177.584 0.120 0.000 1.182 395 A CA 2.403 54.574 52.037 0.223 0.000 0.633 395 A CB -0.777 18.322 19.000 0.166 0.000 0.819 395 A HN 0.658 nan 8.150 nan 0.000 0.448 396 R N -1.146 119.399 120.500 0.075 0.000 2.119 396 R HA 0.081 4.422 4.340 0.002 0.000 0.222 396 R C 1.985 178.410 176.300 0.208 0.000 1.088 396 R CA 1.527 57.685 56.100 0.096 0.000 0.984 396 R CB -0.466 29.812 30.300 -0.037 0.000 0.884 396 R HN 0.463 nan 8.270 nan 0.000 0.447 397 M N 1.217 120.933 119.600 0.193 0.000 2.132 397 M HA -0.041 4.440 4.480 0.002 0.000 0.263 397 M C 2.250 178.628 176.300 0.130 0.000 1.065 397 M CA 1.599 57.019 55.300 0.200 0.000 1.122 397 M CB -0.183 32.510 32.600 0.154 0.000 1.365 397 M HN 0.114 nan 8.290 nan 0.000 0.411 398 L N -0.337 120.958 121.223 0.120 0.000 2.083 398 L HA -0.177 4.164 4.340 0.002 0.000 0.209 398 L C 2.790 179.683 176.870 0.038 0.000 1.083 398 L CA 1.100 55.979 54.840 0.065 0.000 0.752 398 L CB -1.007 41.072 42.059 0.033 0.000 0.899 398 L HN 0.320 nan 8.230 nan 0.000 0.433 399 A N -0.124 122.730 122.820 0.056 0.000 1.933 399 A HA -0.134 4.188 4.320 0.002 0.000 0.218 399 A C 2.339 179.947 177.584 0.039 0.000 1.175 399 A CA 1.646 53.708 52.037 0.042 0.000 0.628 399 A CB -0.703 18.332 19.000 0.059 0.000 0.814 399 A HN 0.200 nan 8.150 nan 0.000 0.444 400 V N 0.361 120.311 119.914 0.060 0.000 2.233 400 V HA -0.302 3.820 4.120 0.002 0.000 0.247 400 V C 2.551 178.652 176.094 0.012 0.000 1.050 400 V CA 2.045 64.364 62.300 0.031 0.000 1.010 400 V CB -0.963 30.877 31.823 0.029 0.000 0.637 400 V HN 0.591 nan 8.190 nan 0.000 0.444 401 L N -0.667 120.564 121.223 0.014 0.000 2.051 401 L HA -0.282 4.059 4.340 0.002 0.000 0.214 401 L C 2.858 179.721 176.870 -0.012 0.000 1.076 401 L CA 1.941 56.779 54.840 -0.002 0.000 0.758 401 L CB -0.702 41.356 42.059 -0.001 0.000 0.890 401 L HN 0.306 nan 8.230 nan 0.000 0.433 402 R N 0.046 120.538 120.500 -0.013 0.000 2.080 402 R HA -0.189 4.153 4.340 0.002 0.000 0.236 402 R C 2.107 178.396 176.300 -0.018 0.000 1.137 402 R CA 1.799 57.886 56.100 -0.022 0.000 0.943 402 R CB -0.196 30.088 30.300 -0.025 0.000 0.846 402 R HN 0.467 nan 8.270 nan 0.000 0.431 403 E N -0.367 119.826 120.200 -0.011 0.000 2.371 403 E HA -0.006 4.345 4.350 0.002 0.000 0.194 403 E C -0.295 176.297 176.600 -0.013 0.000 1.012 403 E CA 0.279 56.673 56.400 -0.011 0.000 0.860 403 E CB 0.564 30.260 29.700 -0.005 0.000 0.811 403 E HN -0.000 nan 8.360 nan 0.000 0.502 404 V N 2.823 122.728 119.914 -0.014 0.000 2.334 404 V HA 0.102 4.223 4.120 0.002 0.000 0.281 404 V C -1.619 174.463 176.094 -0.020 0.000 1.016 404 V CA -1.215 61.074 62.300 -0.017 0.000 0.832 404 V CB 1.466 33.278 31.823 -0.018 0.000 0.999 404 V HN 0.029 nan 8.190 nan 0.000 0.439 405 P HA -0.056 nan 4.420 nan 0.000 0.218 405 P C 0.859 178.143 177.300 -0.026 0.000 1.152 405 P CA 0.870 63.957 63.100 -0.023 0.000 0.826 405 P CB 0.539 32.226 31.700 -0.022 0.000 0.790 406 D N 0.031 120.415 120.400 -0.028 0.000 2.203 406 D HA -0.090 4.551 4.640 0.002 0.000 0.199 406 D C 0.844 177.121 176.300 -0.039 0.000 0.997 406 D CA 1.341 55.321 54.000 -0.033 0.000 0.863 406 D CB -0.157 40.623 40.800 -0.034 0.000 0.928 406 D HN 0.243 nan 8.370 nan 0.000 0.458 407 S N -1.038 114.639 115.700 -0.038 0.000 2.543 407 S HA 0.548 5.020 4.470 0.002 0.000 0.271 407 S C -1.293 173.283 174.600 -0.041 0.000 1.148 407 S CA -0.900 57.278 58.200 -0.037 0.000 0.914 407 S CB 1.555 64.738 63.200 -0.028 0.000 1.096 407 S HN -0.124 nan 8.310 nan 0.000 0.471 408 V N 3.603 123.488 119.914 -0.048 0.000 3.001 408 V HA 0.811 4.933 4.120 0.002 0.000 0.314 408 V C -1.443 174.623 176.094 -0.047 0.000 1.099 408 V CA -0.934 61.330 62.300 -0.061 0.000 0.989 408 V CB 2.023 33.784 31.823 -0.102 0.000 1.040 408 V HN 0.960 nan 8.190 nan 0.000 0.434 409 L N 4.314 125.505 121.223 -0.053 0.000 2.342 409 L HA 0.581 4.923 4.340 0.002 0.000 0.276 409 L C -1.458 175.392 176.870 -0.033 0.000 0.997 409 L CA -0.147 54.669 54.840 -0.041 0.000 0.838 409 L CB 1.334 43.369 42.059 -0.040 0.000 1.224 409 L HN 0.736 nan 8.230 nan 0.000 0.416 410 W N 7.165 128.336 121.300 -0.216 0.000 2.338 410 W HA 0.625 5.286 4.660 0.002 0.000 0.307 410 W C -1.375 175.012 176.519 -0.219 0.000 1.167 410 W CA -1.066 56.159 57.345 -0.199 0.000 1.208 410 W CB 1.047 30.425 29.460 -0.137 0.000 1.228 410 W HN 0.429 nan 8.180 nan 0.000 0.499 411 L N 5.415 126.703 121.223 0.108 0.000 2.327 411 L HA 0.456 4.798 4.340 0.002 0.000 0.258 411 L C -0.057 176.965 176.870 0.252 0.000 1.024 411 L CA -1.422 53.459 54.840 0.068 0.000 0.825 411 L CB 1.800 43.813 42.059 -0.078 0.000 1.386 411 L HN 0.062 nan 8.230 nan 0.000 0.417 412 L N 0.960 122.345 121.223 0.270 0.000 2.416 412 L HA 0.151 4.492 4.340 0.002 0.000 0.272 412 L C 0.723 177.738 176.870 0.243 0.000 1.161 412 L CA 0.173 55.104 54.840 0.151 0.000 0.845 412 L CB 1.326 43.422 42.059 0.062 0.000 1.119 412 L HN 0.598 nan 8.230 nan 0.000 0.464 413 S N 1.832 117.660 115.700 0.214 0.000 2.516 413 S HA 0.327 4.799 4.470 0.002 0.000 0.282 413 S C 0.382 175.026 174.600 0.074 0.000 1.286 413 S CA -0.432 57.886 58.200 0.197 0.000 1.066 413 S CB 0.528 63.798 63.200 0.117 0.000 0.884 413 S HN 0.715 nan 8.310 nan 0.000 0.491 414 G N 4.775 113.595 108.800 0.033 0.000 2.543 414 G HA2 0.608 4.569 3.960 0.002 0.000 0.290 414 G HA3 0.608 4.569 3.960 0.002 0.000 0.290 414 G C -2.810 172.059 174.900 -0.052 0.000 1.310 414 G CA -1.280 43.807 45.100 -0.022 0.000 1.025 414 G HN 0.594 nan 8.290 nan 0.000 0.502 415 P HA 0.433 nan 4.420 nan 0.000 0.280 415 P C 0.938 178.198 177.300 -0.067 0.000 1.272 415 P CA 0.675 63.742 63.100 -0.055 0.000 0.819 415 P CB 1.026 32.682 31.700 -0.073 0.000 1.122 416 G N 1.199 109.983 108.800 -0.027 0.000 2.660 416 G HA2 -0.284 3.678 3.960 0.002 0.000 0.321 416 G HA3 -0.284 3.678 3.960 0.002 0.000 0.321 416 G C 0.167 175.030 174.900 -0.061 0.000 1.246 416 G CA 0.247 45.334 45.100 -0.022 0.000 1.000 416 G HN 0.585 nan 8.290 nan 0.000 0.550 417 E N 1.152 121.303 120.200 -0.081 0.000 2.789 417 E HA 0.465 4.817 4.350 0.002 0.000 0.208 417 E C 2.010 178.521 176.600 -0.149 0.000 0.988 417 E CA 0.609 56.943 56.400 -0.110 0.000 1.092 417 E CB 0.478 30.127 29.700 -0.084 0.000 1.066 417 E HN 0.744 nan 8.360 nan 0.000 0.465 418 A N 1.740 124.468 122.820 -0.154 0.000 1.915 418 A HA -0.290 4.032 4.320 0.002 0.000 0.220 418 A C 1.638 179.111 177.584 -0.185 0.000 1.198 418 A CA 2.274 54.210 52.037 -0.167 0.000 0.647 418 A CB -0.303 18.622 19.000 -0.125 0.000 0.825 418 A HN 0.104 nan 8.150 nan 0.000 0.456 419 D N -0.173 120.053 120.400 -0.290 0.000 2.117 419 D HA 0.026 4.668 4.640 0.002 0.000 0.198 419 D C 2.190 178.274 176.300 -0.360 0.000 0.982 419 D CA 1.520 55.169 54.000 -0.585 0.000 0.828 419 D CB -0.631 39.427 40.800 -1.236 0.000 0.967 419 D HN 0.479 nan 8.370 nan 0.000 0.464 420 A N 1.180 123.846 122.820 -0.256 0.000 1.940 420 A HA -0.209 4.112 4.320 0.002 0.000 0.219 420 A C 2.149 179.679 177.584 -0.091 0.000 1.176 420 A CA 1.272 53.222 52.037 -0.144 0.000 0.631 420 A CB -0.369 18.559 19.000 -0.120 0.000 0.814 420 A HN 0.094 nan 8.150 nan 0.000 0.446 421 R N -0.601 119.821 120.500 -0.130 0.000 2.073 421 R HA -0.052 4.289 4.340 0.002 0.000 0.234 421 R C 2.096 178.343 176.300 -0.088 0.000 1.134 421 R CA 1.470 57.475 56.100 -0.158 0.000 0.952 421 R CB -0.694 29.425 30.300 -0.301 0.000 0.850 421 R HN 0.525 nan 8.270 nan 0.000 0.433 422 L N 0.260 121.463 121.223 -0.034 0.000 2.083 422 L HA -0.154 4.187 4.340 0.002 0.000 0.209 422 L C 2.725 179.759 176.870 0.272 0.000 1.083 422 L CA 1.277 56.214 54.840 0.161 0.000 0.752 422 L CB -0.379 41.845 42.059 0.275 0.000 0.899 422 L HN 0.149 nan 8.230 nan 0.000 0.433 423 R N -0.067 120.563 120.500 0.216 0.000 2.080 423 R HA -0.182 4.159 4.340 0.002 0.000 0.236 423 R C 2.442 178.841 176.300 0.164 0.000 1.137 423 R CA 1.669 57.887 56.100 0.197 0.000 0.943 423 R CB -0.540 29.831 30.300 0.120 0.000 0.846 423 R HN 0.367 nan 8.270 nan 0.000 0.431 424 A N 0.254 123.142 122.820 0.114 0.000 1.933 424 A HA -0.182 4.139 4.320 0.002 0.000 0.218 424 A C 1.948 179.648 177.584 0.193 0.000 1.175 424 A CA 1.057 53.159 52.037 0.108 0.000 0.628 424 A CB -0.603 18.426 19.000 0.049 0.000 0.814 424 A HN 0.396 nan 8.150 nan 0.000 0.444 425 F N 1.138 121.119 119.950 0.053 0.000 2.102 425 F HA -0.062 4.466 4.527 0.001 0.000 0.298 425 F C 2.512 178.392 175.800 0.134 0.000 1.105 425 F CA 1.086 59.145 58.000 0.099 0.000 1.239 425 F CB -0.622 38.435 39.000 0.095 0.000 0.991 425 F HN 0.243 nan 8.300 nan 0.000 0.474 426 A N -0.769 122.101 122.820 0.083 0.000 1.908 426 A HA -0.298 4.024 4.320 0.002 0.000 0.218 426 A C 2.044 179.598 177.584 -0.050 0.000 1.181 426 A CA 2.145 54.164 52.037 -0.029 0.000 0.627 426 A CB -1.432 17.628 19.000 0.101 0.000 0.818 426 A HN 0.638 nan 8.150 nan 0.000 0.445 427 H N -0.472 118.575 119.070 -0.040 0.000 2.353 427 H HA 0.052 4.610 4.556 0.003 0.000 0.300 427 H C 2.309 177.599 175.328 -0.064 0.000 1.090 427 H CA 1.783 57.811 56.048 -0.034 0.000 1.327 427 H CB -0.157 29.606 29.762 0.001 0.000 1.383 427 H HN 0.445 nan 8.280 nan 0.000 0.508 428 A N 0.109 122.944 122.820 0.024 0.000 1.933 428 A HA -0.163 4.159 4.320 0.002 0.000 0.218 428 A C 1.921 179.415 177.584 -0.150 0.000 1.175 428 A CA 1.479 53.495 52.037 -0.034 0.000 0.628 428 A CB -0.179 18.832 19.000 0.019 0.000 0.814 428 A HN 0.446 nan 8.150 nan 0.000 0.444 429 Q N -0.906 118.720 119.800 -0.290 0.000 2.373 429 Q HA 0.169 4.511 4.340 0.002 0.000 0.206 429 Q C 0.872 176.760 176.000 -0.187 0.000 0.942 429 Q CA 0.615 56.248 55.803 -0.284 0.000 0.953 429 Q CB -0.324 28.152 28.738 -0.437 0.000 1.022 429 Q HN 0.931 nan 8.270 nan 0.000 0.502 430 G N 0.460 109.146 108.800 -0.190 0.000 2.298 430 G HA2 -0.222 3.739 3.960 0.002 0.000 0.287 430 G HA3 -0.222 3.739 3.960 0.002 0.000 0.287 430 G C -0.258 174.535 174.900 -0.179 0.000 1.075 430 G CA 0.235 45.217 45.100 -0.196 0.000 0.960 430 G HN 0.196 nan 8.290 nan 0.000 0.502 431 V N 0.060 119.862 119.914 -0.187 0.000 2.638 431 V HA 0.434 4.556 4.120 0.002 0.000 0.306 431 V C 0.071 176.120 176.094 -0.075 0.000 1.052 431 V CA -1.113 61.121 62.300 -0.110 0.000 0.885 431 V CB 1.998 33.781 31.823 -0.066 0.000 0.999 431 V HN 0.416 nan 8.190 nan 0.000 0.424 432 D N 3.283 123.663 120.400 -0.034 0.000 2.472 432 D HA 0.135 4.776 4.640 0.002 0.000 0.248 432 D C 1.155 177.514 176.300 0.097 0.000 1.174 432 D CA 0.722 54.752 54.000 0.049 0.000 0.883 432 D CB 1.811 42.628 40.800 0.028 0.000 1.149 432 D HN 0.699 nan 8.370 nan 0.000 0.488 433 A N 4.914 127.844 122.820 0.183 0.000 2.024 433 A HA -0.208 4.114 4.320 0.002 0.000 0.220 433 A C 1.898 179.557 177.584 0.125 0.000 1.164 433 A CA 1.086 53.220 52.037 0.162 0.000 0.643 433 A CB -0.299 18.796 19.000 0.157 0.000 0.806 433 A HN 0.681 nan 8.150 nan 0.000 0.451 434 Q N -0.309 119.546 119.800 0.090 0.000 2.364 434 Q HA -0.132 4.209 4.340 0.002 0.000 0.209 434 Q C 1.641 177.660 176.000 0.032 0.000 0.977 434 Q CA 1.064 56.903 55.803 0.060 0.000 0.885 434 Q CB -0.219 28.541 28.738 0.037 0.000 0.941 434 Q HN 0.720 nan 8.270 nan 0.000 0.464 435 R N -0.051 120.465 120.500 0.026 0.000 2.313 435 R HA 0.177 4.518 4.340 0.002 0.000 0.199 435 R C 0.394 176.675 176.300 -0.033 0.000 0.958 435 R CA 0.070 56.164 56.100 -0.011 0.000 1.047 435 R CB 0.200 30.494 30.300 -0.009 0.000 0.955 435 R HN 0.106 nan 8.270 nan 0.000 0.481 436 L N 1.248 122.462 121.223 -0.014 0.000 2.295 436 L HA 0.414 4.756 4.340 0.002 0.000 0.285 436 L C -0.377 176.371 176.870 -0.203 0.000 1.035 436 L CA -0.845 53.910 54.840 -0.143 0.000 0.806 436 L CB 1.824 43.814 42.059 -0.116 0.000 1.214 436 L HN -0.228 nan 8.230 nan 0.000 0.426 437 V N 2.985 122.691 119.914 -0.347 0.000 2.604 437 V HA 0.486 4.608 4.120 0.002 0.000 0.305 437 V C -0.692 175.281 176.094 -0.201 0.000 1.043 437 V CA -0.475 61.722 62.300 -0.172 0.000 0.888 437 V CB 1.982 33.688 31.823 -0.194 0.000 0.995 437 V HN 0.390 nan 8.190 nan 0.000 0.429 438 F N 3.718 123.813 119.950 0.243 0.000 2.467 438 F HA 0.597 5.124 4.527 0.001 0.000 0.336 438 F C 0.181 176.145 175.800 0.273 0.000 1.123 438 F CA -0.492 57.660 58.000 0.254 0.000 0.964 438 F CB 1.854 40.935 39.000 0.135 0.000 1.136 438 F HN 0.344 nan 8.300 nan 0.000 0.447 439 M N 6.745 126.587 119.600 0.404 0.000 2.188 439 M HA 0.426 4.907 4.480 0.002 0.000 0.357 439 M C -2.414 173.959 176.300 0.122 0.000 1.204 439 M CA -1.697 53.751 55.300 0.247 0.000 1.095 439 M CB 1.505 34.088 32.600 -0.028 0.000 1.604 439 M HN 0.279 nan 8.290 nan 0.000 0.464 440 P HA 0.154 nan 4.420 nan 0.000 0.279 440 P C -1.464 175.829 177.300 -0.011 0.000 1.282 440 P CA -0.426 62.703 63.100 0.048 0.000 0.788 440 P CB 0.512 32.245 31.700 0.054 0.000 1.139 441 K N 0.571 120.960 120.400 -0.019 0.000 2.322 441 K HA 0.360 4.682 4.320 0.002 0.000 0.283 441 K C -0.689 175.889 176.600 -0.036 0.000 1.042 441 K CA -0.130 56.127 56.287 -0.050 0.000 0.958 441 K CB -0.163 32.316 32.500 -0.035 0.000 0.984 441 K HN 0.402 nan 8.250 nan 0.000 0.473 442 L N 5.074 126.264 121.223 -0.055 0.000 2.466 442 L HA 0.374 4.715 4.340 0.002 0.000 0.258 442 L C -2.254 174.614 176.870 -0.003 0.000 0.973 442 L CA -2.347 52.486 54.840 -0.013 0.000 0.826 442 L CB 2.149 44.216 42.059 0.012 0.000 1.372 442 L HN 0.590 nan 8.230 nan 0.000 0.409 443 P HA -0.049 nan 4.420 nan 0.000 0.266 443 P C 0.309 177.674 177.300 0.108 0.000 1.186 443 P CA 0.173 63.300 63.100 0.045 0.000 0.767 443 P CB 0.469 32.194 31.700 0.042 0.000 0.820 444 H N 4.969 124.074 119.070 0.058 0.000 2.321 444 H HA -0.159 4.399 4.556 0.003 0.000 0.295 444 H C -0.919 174.531 175.328 0.203 0.000 1.102 444 H CA 2.684 58.841 56.048 0.180 0.000 1.266 444 H CB -1.245 28.592 29.762 0.124 0.000 1.363 444 H HN 0.436 nan 8.280 nan 0.000 0.492 445 P HA -0.101 nan 4.420 nan 0.000 0.217 445 P C 1.159 178.447 177.300 -0.020 0.000 1.150 445 P CA 1.704 64.833 63.100 0.048 0.000 0.832 445 P CB 0.039 31.788 31.700 0.082 0.000 0.787 446 Q N -1.962 117.841 119.800 0.005 0.000 2.137 446 Q HA -0.168 4.174 4.340 0.002 0.000 0.198 446 Q C 2.171 178.136 176.000 -0.057 0.000 0.960 446 Q CA 1.048 56.844 55.803 -0.010 0.000 0.847 446 Q CB -0.712 28.037 28.738 0.018 0.000 0.915 446 Q HN 0.308 nan 8.270 nan 0.000 0.448 447 Y N 1.224 121.417 120.300 -0.179 0.000 2.114 447 Y HA -0.255 4.296 4.550 0.001 0.000 0.284 447 Y C 1.918 177.637 175.900 -0.302 0.000 1.143 447 Y CA 1.297 59.226 58.100 -0.285 0.000 1.135 447 Y CB -0.486 37.798 38.460 -0.292 0.000 0.980 447 Y HN 0.104 nan 8.280 nan 0.000 0.499 448 L N 1.162 121.928 121.223 -0.761 0.000 2.187 448 L HA -0.072 4.270 4.340 0.002 0.000 0.213 448 L C 2.410 179.116 176.870 -0.274 0.000 1.100 448 L CA 1.854 56.305 54.840 -0.648 0.000 0.765 448 L CB -1.136 40.650 42.059 -0.455 0.000 0.904 448 L HN 0.404 nan 8.230 nan 0.000 0.437 449 A N -0.696 121.991 122.820 -0.222 0.000 1.933 449 A HA -0.171 4.151 4.320 0.002 0.000 0.218 449 A C 2.217 179.723 177.584 -0.130 0.000 1.175 449 A CA 1.173 53.135 52.037 -0.126 0.000 0.628 449 A CB -0.460 18.492 19.000 -0.079 0.000 0.814 449 A HN 0.392 nan 8.150 nan 0.000 0.444 450 R N -0.942 119.441 120.500 -0.196 0.000 2.139 450 R HA -0.186 4.155 4.340 0.002 0.000 0.243 450 R C 1.667 177.944 176.300 -0.038 0.000 1.145 450 R CA 1.552 57.591 56.100 -0.102 0.000 0.976 450 R CB -1.177 28.880 30.300 -0.405 0.000 0.866 450 R HN 0.771 nan 8.270 nan 0.000 0.449 451 Y N 0.644 120.909 120.300 -0.059 0.000 2.384 451 Y HA -0.128 4.424 4.550 0.005 0.000 0.289 451 Y C 2.416 178.349 175.900 0.056 0.000 1.152 451 Y CA 0.879 59.002 58.100 0.040 0.000 1.258 451 Y CB -0.153 38.293 38.460 -0.022 0.000 0.979 451 Y HN 0.023 nan 8.280 nan 0.000 0.549 452 R N -0.761 119.782 120.500 0.071 0.000 2.152 452 R HA -0.136 4.205 4.340 0.002 0.000 0.232 452 R C 1.172 177.473 176.300 0.001 0.000 1.117 452 R CA 1.110 57.191 56.100 -0.032 0.000 0.981 452 R CB -0.233 29.959 30.300 -0.180 0.000 0.870 452 R HN 0.478 nan 8.270 nan 0.000 0.451 453 H N -0.592 118.628 119.070 0.250 0.000 2.553 453 H HA 0.242 4.799 4.556 0.003 0.000 0.265 453 H C 0.441 175.920 175.328 0.252 0.000 0.964 453 H CA 0.140 56.310 56.048 0.203 0.000 1.156 453 H CB 0.026 29.873 29.762 0.143 0.000 1.411 453 H HN 0.102 nan 8.280 nan 0.000 0.558 454 A N 1.157 124.250 122.820 0.456 0.000 2.440 454 A HA 0.064 4.385 4.320 0.002 0.000 0.251 454 A C 0.739 178.501 177.584 0.296 0.000 1.089 454 A CA -0.174 52.090 52.037 0.379 0.000 0.779 454 A CB 0.497 19.714 19.000 0.361 0.000 1.022 454 A HN 0.173 nan 8.150 nan 0.000 0.492 455 D N 0.015 120.551 120.400 0.226 0.000 2.323 455 D HA 0.172 4.813 4.640 0.002 0.000 0.218 455 D C -0.263 176.223 176.300 0.310 0.000 0.973 455 D CA 0.987 55.123 54.000 0.227 0.000 0.890 455 D CB 0.392 41.245 40.800 0.087 0.000 1.011 455 D HN 0.377 nan 8.370 nan 0.000 0.499 456 L N 0.058 121.394 121.223 0.188 0.000 2.588 456 L HA 0.351 4.692 4.340 0.002 0.000 0.263 456 L C -1.874 175.076 176.870 0.134 0.000 0.935 456 L CA -0.765 54.158 54.840 0.140 0.000 0.891 456 L CB 1.908 44.008 42.059 0.068 0.000 1.318 456 L HN -0.208 nan 8.230 nan 0.000 0.409 457 F N 5.514 125.470 119.950 0.010 0.000 2.404 457 F HA 0.696 5.225 4.527 0.003 0.000 0.345 457 F C -1.015 174.805 175.800 0.033 0.000 1.110 457 F CA -0.489 57.517 58.000 0.010 0.000 1.130 457 F CB 0.919 39.934 39.000 0.025 0.000 1.129 457 F HN 0.409 nan 8.300 nan 0.000 0.500 458 L N 5.877 127.091 121.223 -0.015 0.000 2.319 458 L HA 0.303 4.645 4.340 0.002 0.000 0.281 458 L C -0.610 176.437 176.870 0.295 0.000 1.005 458 L CA -0.905 54.072 54.840 0.228 0.000 0.828 458 L CB 1.345 43.524 42.059 0.200 0.000 1.227 458 L HN 0.591 nan 8.230 nan 0.000 0.415 459 D N 1.740 122.467 120.400 0.544 0.000 2.383 459 D HA 0.341 4.982 4.640 0.002 0.000 0.248 459 D C -0.254 176.165 176.300 0.200 0.000 1.170 459 D CA 0.028 54.288 54.000 0.435 0.000 0.977 459 D CB 1.371 42.415 40.800 0.407 0.000 1.120 459 D HN 0.516 nan 8.370 nan 0.000 0.481 460 T N -0.842 113.804 114.554 0.154 0.000 2.895 460 T HA 0.498 4.850 4.350 0.002 0.000 0.283 460 T C -0.560 174.194 174.700 0.089 0.000 1.014 460 T CA -0.757 61.382 62.100 0.065 0.000 1.037 460 T CB 1.275 70.177 68.868 0.058 0.000 1.006 460 T HN 0.460 nan 8.240 nan 0.000 0.468 461 H N 2.212 121.244 119.070 -0.063 0.000 2.572 461 H HA 0.475 5.032 4.556 0.002 0.000 0.359 461 H C -2.138 173.157 175.328 -0.055 0.000 1.134 461 H CA -2.279 53.738 56.048 -0.051 0.000 1.187 461 H CB 2.473 32.168 29.762 -0.112 0.000 1.597 461 H HN 0.347 nan 8.280 nan 0.000 0.524 462 P HA -0.003 nan 4.420 nan 0.000 0.255 462 P C -0.766 176.351 177.300 -0.305 0.000 1.248 462 P CA 0.594 63.183 63.100 -0.853 0.000 0.807 462 P CB 0.116 31.439 31.700 -0.628 0.000 1.150 463 Y N 1.292 121.464 120.300 -0.213 0.000 2.464 463 Y HA 0.307 4.859 4.550 0.003 0.000 0.326 463 Y C 0.086 175.976 175.900 -0.017 0.000 0.969 463 Y CA -1.176 56.862 58.100 -0.103 0.000 1.270 463 Y CB 0.556 38.984 38.460 -0.053 0.000 1.103 463 Y HN -0.161 nan 8.280 nan 0.000 0.491 464 N N 2.839 121.724 118.700 0.309 0.000 2.340 464 N HA 0.191 4.932 4.740 0.002 0.000 0.236 464 N C -0.165 175.449 175.510 0.173 0.000 1.296 464 N CA -0.218 52.963 53.050 0.218 0.000 0.896 464 N CB 0.598 39.200 38.487 0.193 0.000 1.127 464 N HN 0.637 nan 8.380 nan 0.000 0.442 465 A N -0.050 122.876 122.820 0.177 0.000 2.507 465 A HA 0.290 4.612 4.320 0.002 0.000 0.235 465 A C 0.769 178.440 177.584 0.145 0.000 1.070 465 A CA 0.869 53.007 52.037 0.168 0.000 0.768 465 A CB -0.278 18.883 19.000 0.269 0.000 1.011 465 A HN 0.979 nan 8.150 nan 0.000 0.502 466 H N -0.545 118.610 119.070 0.142 0.000 2.010 466 H HA 0.178 4.736 4.556 0.002 0.000 0.175 466 H C 2.131 177.516 175.328 0.096 0.000 0.966 466 H CA 1.666 57.813 56.048 0.166 0.000 1.080 466 H CB -0.594 29.327 29.762 0.266 0.000 1.072 466 H HN 1.032 nan 8.280 nan 0.000 0.373 467 T N -1.075 113.546 114.554 0.111 0.000 2.942 467 T HA -0.127 4.224 4.350 0.002 0.000 0.265 467 T C 2.133 176.909 174.700 0.127 0.000 1.062 467 T CA 2.548 64.701 62.100 0.087 0.000 1.139 467 T CB -1.086 67.838 68.868 0.093 0.000 0.883 467 T HN 0.684 nan 8.240 nan 0.000 0.468 468 T N 0.455 115.118 114.554 0.182 0.000 2.867 468 T HA 0.208 4.560 4.350 0.002 0.000 0.268 468 T C 2.322 177.001 174.700 -0.035 0.000 1.057 468 T CA 0.903 63.171 62.100 0.281 0.000 1.136 468 T CB -0.809 68.366 68.868 0.511 0.000 0.874 468 T HN 0.495 nan 8.240 nan 0.000 0.466 469 A N 1.546 124.272 122.820 -0.157 0.000 1.902 469 A HA -0.017 4.304 4.320 0.002 0.000 0.217 469 A C 2.695 180.135 177.584 -0.240 0.000 1.181 469 A CA 2.048 53.855 52.037 -0.384 0.000 0.623 469 A CB -1.265 17.602 19.000 -0.222 0.000 0.818 469 A HN 0.551 nan 8.150 nan 0.000 0.443 470 S N -0.540 115.106 115.700 -0.091 0.000 2.423 470 S HA -0.144 4.328 4.470 0.002 0.000 0.231 470 S C 1.554 176.188 174.600 0.055 0.000 1.014 470 S CA 1.490 59.698 58.200 0.014 0.000 0.965 470 S CB -0.505 62.682 63.200 -0.023 0.000 0.785 470 S HN 0.538 nan 8.310 nan 0.000 0.495 471 D N 1.774 122.152 120.400 -0.036 0.000 2.077 471 D HA 0.019 4.660 4.640 0.002 0.000 0.196 471 D C 2.369 178.367 176.300 -0.502 0.000 0.986 471 D CA 1.453 55.389 54.000 -0.106 0.000 0.829 471 D CB -0.916 39.922 40.800 0.063 0.000 0.983 471 D HN 0.450 nan 8.370 nan 0.000 0.453 472 A N 0.890 123.180 122.820 -0.883 0.000 1.884 472 A HA -0.213 4.109 4.320 0.002 0.000 0.219 472 A C 2.455 179.805 177.584 -0.390 0.000 1.197 472 A CA 1.499 53.012 52.037 -0.874 0.000 0.637 472 A CB -1.081 17.557 19.000 -0.604 0.000 0.827 472 A HN 0.238 nan 8.150 nan 0.000 0.450 473 L N -1.949 119.142 121.223 -0.219 0.000 2.012 473 L HA -0.232 4.110 4.340 0.002 0.000 0.210 473 L C 2.631 179.442 176.870 -0.099 0.000 1.073 473 L CA 1.757 56.559 54.840 -0.065 0.000 0.748 473 L CB -0.567 41.563 42.059 0.119 0.000 0.891 473 L HN 0.800 nan 8.230 nan 0.000 0.431 474 W N 1.303 122.394 121.300 -0.348 0.000 2.305 474 W HA -0.316 4.345 4.660 0.002 0.000 0.308 474 W C 2.431 178.699 176.519 -0.418 0.000 1.226 474 W CA 2.154 59.108 57.345 -0.652 0.000 1.253 474 W CB -0.154 29.005 29.460 -0.502 0.000 1.146 474 W HN 0.381 nan 8.180 nan 0.000 0.507 475 T N -2.677 111.664 114.554 -0.355 0.000 3.055 475 T HA 0.226 4.578 4.350 0.002 0.000 0.265 475 T C 1.540 176.069 174.700 -0.286 0.000 1.111 475 T CA 1.414 63.300 62.100 -0.355 0.000 1.118 475 T CB -0.127 68.637 68.868 -0.173 0.000 0.909 475 T HN 0.418 nan 8.240 nan 0.000 0.501 476 G N -0.132 108.503 108.800 -0.276 0.000 2.192 476 G HA2 -0.196 3.766 3.960 0.002 0.000 0.193 476 G HA3 -0.196 3.766 3.960 0.002 0.000 0.193 476 G C 0.249 174.959 174.900 -0.316 0.000 0.999 476 G CA -0.314 44.639 45.100 -0.245 0.000 0.659 476 G HN 0.810 nan 8.290 nan 0.000 0.503 477 C N 4.016 123.174 119.300 -0.238 0.000 2.499 477 C HA 0.650 5.112 4.460 0.002 0.000 0.386 477 C C -1.314 173.543 174.990 -0.221 0.000 1.293 477 C CA -1.776 57.101 59.018 -0.235 0.000 1.884 477 C CB 0.396 28.158 27.740 0.037 0.000 2.509 477 C HN 0.413 nan 8.230 nan 0.000 0.566 478 P HA 0.202 nan 4.420 nan 0.000 0.271 478 P C -1.009 176.284 177.300 -0.012 0.000 1.218 478 P CA 0.167 63.190 63.100 -0.128 0.000 0.780 478 P CB 0.757 32.387 31.700 -0.117 0.000 0.901 479 V N 4.220 124.128 119.914 -0.009 0.000 2.444 479 V HA 0.235 4.357 4.120 0.002 0.000 0.294 479 V C 0.192 176.336 176.094 0.083 0.000 1.022 479 V CA -0.734 61.601 62.300 0.058 0.000 0.850 479 V CB 1.490 33.266 31.823 -0.077 0.000 0.992 479 V HN 0.407 nan 8.190 nan 0.000 0.426 480 L N 4.981 126.287 121.223 0.138 0.000 2.289 480 L HA 0.830 5.172 4.340 0.002 0.000 0.285 480 L C 0.019 177.086 176.870 0.328 0.000 1.049 480 L CA 0.886 55.779 54.840 0.089 0.000 0.804 480 L CB 1.724 43.667 42.059 -0.194 0.000 1.195 480 L HN 0.802 nan 8.230 nan 0.000 0.428 481 T N 1.602 116.350 114.554 0.323 0.000 2.894 481 T HA 0.573 4.924 4.350 0.002 0.000 0.309 481 T C -0.956 173.938 174.700 0.324 0.000 1.208 481 T CA -0.131 62.185 62.100 0.361 0.000 1.016 481 T CB 1.292 70.295 68.868 0.224 0.000 1.192 481 T HN 0.713 nan 8.240 nan 0.000 0.491 482 T N 2.324 117.034 114.554 0.261 0.000 3.154 482 T HA 0.581 4.932 4.350 0.002 0.000 0.381 482 T C -2.847 171.963 174.700 0.184 0.000 1.368 482 T CA -1.776 60.433 62.100 0.181 0.000 1.155 482 T CB 0.409 69.312 68.868 0.058 0.000 1.120 482 T HN 0.314 nan 8.240 nan 0.000 0.570 483 P HA 0.253 nan 4.420 nan 0.000 0.260 483 P C 0.811 178.195 177.300 0.140 0.000 1.185 483 P CA 0.309 63.535 63.100 0.210 0.000 0.763 483 P CB 0.515 32.395 31.700 0.301 0.000 0.776 484 G N 2.576 111.469 108.800 0.155 0.000 2.773 484 G HA2 0.164 4.126 3.960 0.002 0.000 0.186 484 G HA3 0.164 4.126 3.960 0.002 0.000 0.186 484 G C 0.121 175.040 174.900 0.031 0.000 1.411 484 G CA -0.331 44.857 45.100 0.146 0.000 1.054 484 G HN 0.434 nan 8.290 nan 0.000 0.579 485 E N -0.647 119.557 120.200 0.007 0.000 2.538 485 E HA 0.166 4.518 4.350 0.002 0.000 0.207 485 E C -0.000 176.562 176.600 -0.062 0.000 1.002 485 E CA 0.008 56.383 56.400 -0.042 0.000 0.952 485 E CB 0.839 30.508 29.700 -0.052 0.000 1.031 485 E HN 0.446 nan 8.360 nan 0.000 0.476 486 T N -3.184 111.335 114.554 -0.059 0.000 2.893 486 T HA 0.248 4.600 4.350 0.002 0.000 0.291 486 T C 0.513 175.231 174.700 0.031 0.000 1.028 486 T CA -0.834 61.245 62.100 -0.036 0.000 0.995 486 T CB 1.348 70.145 68.868 -0.117 0.000 1.051 486 T HN -0.019 nan 8.240 nan 0.000 0.470 487 F N 2.133 122.065 119.950 -0.029 0.000 2.085 487 F HA -0.157 4.371 4.527 0.002 0.000 0.299 487 F C 2.525 178.281 175.800 -0.074 0.000 1.096 487 F CA 2.427 60.408 58.000 -0.031 0.000 1.227 487 F CB -0.580 38.422 39.000 0.002 0.000 0.983 487 F HN 0.780 nan 8.300 nan 0.000 0.482 488 A N -0.374 122.516 122.820 0.116 0.000 2.067 488 A HA 0.118 4.440 4.320 0.002 0.000 0.219 488 A C 1.962 179.529 177.584 -0.028 0.000 1.158 488 A CA 1.218 53.245 52.037 -0.016 0.000 0.661 488 A CB -1.184 17.585 19.000 -0.386 0.000 0.801 488 A HN 0.478 nan 8.150 nan 0.000 0.452 489 A N -1.100 121.675 122.820 -0.076 0.000 2.379 489 A HA 0.343 4.664 4.320 0.002 0.000 0.236 489 A C 1.381 178.979 177.584 0.023 0.000 1.272 489 A CA -0.140 51.858 52.037 -0.066 0.000 0.886 489 A CB -0.084 18.806 19.000 -0.184 0.000 0.962 489 A HN 0.417 nan 8.150 nan 0.000 0.504 490 R N -1.309 119.185 120.500 -0.010 0.000 2.590 490 R HA 0.224 4.566 4.340 0.002 0.000 0.410 490 R C 0.518 176.852 176.300 0.057 0.000 1.010 490 R CA 0.080 56.224 56.100 0.074 0.000 1.155 490 R CB 0.653 30.964 30.300 0.018 0.000 1.455 490 R HN 0.273 nan 8.270 nan 0.000 0.567 491 V N 0.310 120.231 119.914 0.012 0.000 2.426 491 V HA -0.059 4.062 4.120 0.002 0.000 0.242 491 V C 2.328 178.484 176.094 0.103 0.000 1.036 491 V CA 2.097 64.450 62.300 0.088 0.000 1.044 491 V CB -0.042 31.909 31.823 0.213 0.000 0.688 491 V HN 0.376 nan 8.190 nan 0.000 0.462 492 A N 0.724 123.594 122.820 0.084 0.000 1.883 492 A HA -0.128 4.193 4.320 0.002 0.000 0.217 492 A C 2.418 179.981 177.584 -0.036 0.000 1.186 492 A CA 2.082 54.139 52.037 0.033 0.000 0.624 492 A CB -1.394 17.652 19.000 0.076 0.000 0.822 492 A HN 0.526 nan 8.150 nan 0.000 0.444 493 G N -0.606 108.183 108.800 -0.019 0.000 2.513 493 G HA2 -0.327 3.635 3.960 0.002 0.000 0.219 493 G HA3 -0.327 3.635 3.960 0.002 0.000 0.219 493 G C 1.982 176.384 174.900 -0.831 0.000 1.160 493 G CA 1.849 46.810 45.100 -0.231 0.000 0.767 493 G HN 0.693 nan 8.290 nan 0.000 0.571 494 S N -0.302 115.095 115.700 -0.505 0.000 2.402 494 S HA 0.079 4.550 4.470 0.002 0.000 0.229 494 S C 2.391 176.967 174.600 -0.041 0.000 1.021 494 S CA 0.889 58.877 58.200 -0.353 0.000 0.974 494 S CB -0.192 63.139 63.200 0.217 0.000 0.800 494 S HN 0.340 nan 8.310 nan 0.000 0.484 495 L N 1.126 122.305 121.223 -0.073 0.000 2.044 495 L HA -0.046 4.295 4.340 0.002 0.000 0.205 495 L C 2.592 179.412 176.870 -0.084 0.000 1.075 495 L CA 1.077 55.878 54.840 -0.065 0.000 0.747 495 L CB -0.838 41.166 42.059 -0.091 0.000 0.903 495 L HN 0.314 nan 8.230 nan 0.000 0.435 496 N N -0.231 118.394 118.700 -0.124 0.000 2.025 496 N HA -0.265 4.476 4.740 0.002 0.000 0.194 496 N C 1.832 177.265 175.510 -0.128 0.000 1.044 496 N CA 1.709 54.694 53.050 -0.108 0.000 0.851 496 N CB -0.623 37.806 38.487 -0.097 0.000 1.036 496 N HN 0.338 nan 8.380 nan 0.000 0.422 497 H N -0.051 118.796 119.070 -0.372 0.000 2.321 497 H HA -0.100 4.457 4.556 0.002 0.000 0.295 497 H C 1.649 176.809 175.328 -0.280 0.000 1.102 497 H CA 2.214 58.032 56.048 -0.384 0.000 1.266 497 H CB -0.374 28.981 29.762 -0.678 0.000 1.363 497 H HN 0.461 nan 8.280 nan 0.000 0.492 498 H N -1.443 117.491 119.070 -0.226 0.000 2.502 498 H HA 0.010 4.567 4.556 0.002 0.000 0.283 498 H C 1.893 177.114 175.328 -0.179 0.000 1.015 498 H CA 0.503 56.420 56.048 -0.217 0.000 1.298 498 H CB 0.327 30.021 29.762 -0.113 0.000 1.411 498 H HN 0.231 nan 8.280 nan 0.000 0.556 499 L N -0.829 120.365 121.223 -0.049 0.000 2.109 499 L HA 0.095 4.437 4.340 0.002 0.000 0.207 499 L C 1.629 178.467 176.870 -0.052 0.000 1.086 499 L CA 1.960 56.779 54.840 -0.035 0.000 0.760 499 L CB -0.667 41.388 42.059 -0.006 0.000 0.910 499 L HN 0.565 nan 8.230 nan 0.000 0.437 500 G N -1.430 107.312 108.800 -0.098 0.000 2.164 500 G HA2 -0.173 3.788 3.960 0.002 0.000 0.154 500 G HA3 -0.173 3.788 3.960 0.002 0.000 0.154 500 G C 0.399 175.269 174.900 -0.050 0.000 1.014 500 G CA -0.059 44.989 45.100 -0.088 0.000 0.683 500 G HN 0.229 nan 8.290 nan 0.000 0.500 501 L N 1.489 122.685 121.223 -0.045 0.000 3.029 501 L HA 0.306 4.647 4.340 0.002 0.000 0.231 501 L C 1.219 178.089 176.870 0.000 0.000 1.327 501 L CA -0.573 54.254 54.840 -0.021 0.000 1.166 501 L CB 0.228 42.271 42.059 -0.026 0.000 1.532 501 L HN 0.040 nan 8.230 nan 0.000 0.473 502 D N 1.103 121.518 120.400 0.025 0.000 2.221 502 D HA -0.212 4.429 4.640 0.002 0.000 0.204 502 D C 1.854 178.187 176.300 0.056 0.000 0.982 502 D CA 1.281 55.324 54.000 0.071 0.000 0.857 502 D CB 0.304 41.172 40.800 0.112 0.000 0.934 502 D HN 0.596 nan 8.370 nan 0.000 0.475 503 E N 0.274 120.494 120.200 0.035 0.000 2.472 503 E HA -0.142 4.209 4.350 0.002 0.000 0.200 503 E C 1.308 177.922 176.600 0.024 0.000 1.046 503 E CA 0.529 56.946 56.400 0.029 0.000 0.871 503 E CB -0.053 29.658 29.700 0.017 0.000 0.806 503 E HN 0.220 nan 8.360 nan 0.000 0.533 504 M N 0.720 120.334 119.600 0.024 0.000 2.371 504 M HA 0.193 4.674 4.480 0.002 0.000 0.246 504 M C -0.212 176.121 176.300 0.055 0.000 1.103 504 M CA -0.021 55.292 55.300 0.021 0.000 1.010 504 M CB -0.225 32.379 32.600 0.006 0.000 1.457 504 M HN -0.101 nan 8.290 nan 0.000 0.486 505 N N 2.018 120.759 118.700 0.069 0.000 2.500 505 N HA 0.335 5.076 4.740 0.002 0.000 0.236 505 N C -0.409 175.169 175.510 0.114 0.000 1.022 505 N CA -0.048 53.069 53.050 0.111 0.000 0.935 505 N CB 1.428 39.993 38.487 0.131 0.000 1.147 505 N HN 0.060 nan 8.380 nan 0.000 0.512 506 V N -0.544 119.447 119.914 0.129 0.000 2.975 506 V HA 0.785 4.907 4.120 0.002 0.000 0.318 506 V C 1.224 177.379 176.094 0.102 0.000 1.077 506 V CA -0.666 61.699 62.300 0.109 0.000 1.000 506 V CB 1.363 33.250 31.823 0.108 0.000 1.066 506 V HN 0.427 nan 8.190 nan 0.000 0.452 507 A N 1.847 124.709 122.820 0.070 0.000 1.858 507 A HA 0.119 4.441 4.320 0.002 0.000 0.216 507 A C 0.866 178.464 177.584 0.023 0.000 1.190 507 A CA 2.041 54.102 52.037 0.042 0.000 0.617 507 A CB -0.818 18.198 19.000 0.027 0.000 0.827 507 A HN 1.277 nan 8.150 nan 0.000 0.443 508 D N -4.277 116.141 120.400 0.030 0.000 2.825 508 D HA 0.266 4.908 4.640 0.002 0.000 0.327 508 D C -0.358 175.949 176.300 0.012 0.000 1.277 508 D CA -0.231 53.759 54.000 -0.017 0.000 0.950 508 D CB -0.409 40.372 40.800 -0.031 0.000 1.438 508 D HN -0.130 nan 8.370 nan 0.000 0.526 509 D N -0.191 120.181 120.400 -0.046 0.000 2.104 509 D HA -0.065 4.576 4.640 0.002 0.000 0.194 509 D C 1.970 178.323 176.300 0.088 0.000 0.994 509 D CA 2.619 56.610 54.000 -0.015 0.000 0.830 509 D CB -0.622 40.133 40.800 -0.075 0.000 0.959 509 D HN 0.503 nan 8.370 nan 0.000 0.452 510 A N 0.787 123.638 122.820 0.051 0.000 1.902 510 A HA -0.065 4.257 4.320 0.002 0.000 0.217 510 A C 2.284 179.915 177.584 0.078 0.000 1.181 510 A CA 2.330 54.401 52.037 0.057 0.000 0.623 510 A CB -0.778 18.239 19.000 0.029 0.000 0.818 510 A HN 0.245 nan 8.150 nan 0.000 0.443 511 A N -1.321 121.548 122.820 0.082 0.000 1.898 511 A HA 0.001 4.323 4.320 0.002 0.000 0.216 511 A C 2.007 179.658 177.584 0.111 0.000 1.181 511 A CA 1.453 53.537 52.037 0.079 0.000 0.620 511 A CB -0.716 18.326 19.000 0.070 0.000 0.819 511 A HN 0.603 nan 8.150 nan 0.000 0.442 512 F N 1.017 120.971 119.950 0.006 0.000 2.043 512 F HA -0.257 4.271 4.527 0.002 0.000 0.297 512 F C 2.318 178.127 175.800 0.015 0.000 1.121 512 F CA 2.477 60.487 58.000 0.015 0.000 1.199 512 F CB -0.384 38.623 39.000 0.012 0.000 0.968 512 F HN 0.054 nan 8.300 nan 0.000 0.478 513 V N 0.443 120.489 119.914 0.220 0.000 2.343 513 V HA -0.310 3.812 4.120 0.002 0.000 0.247 513 V C 2.682 178.782 176.094 0.010 0.000 1.051 513 V CA 1.716 64.079 62.300 0.104 0.000 1.036 513 V CB -1.825 30.072 31.823 0.123 0.000 0.654 513 V HN 0.515 nan 8.190 nan 0.000 0.451 514 A N 0.393 123.225 122.820 0.020 0.000 1.865 514 A HA -0.306 4.016 4.320 0.002 0.000 0.217 514 A C 2.269 179.836 177.584 -0.029 0.000 1.191 514 A CA 2.549 54.586 52.037 0.000 0.000 0.623 514 A CB -0.599 18.409 19.000 0.012 0.000 0.826 514 A HN 0.467 nan 8.150 nan 0.000 0.444 515 K N -0.072 120.299 120.400 -0.048 0.000 2.057 515 K HA -0.015 4.306 4.320 0.002 0.000 0.207 515 K C 2.005 178.541 176.600 -0.106 0.000 1.049 515 K CA 1.669 57.913 56.287 -0.071 0.000 0.931 515 K CB -0.551 31.901 32.500 -0.080 0.000 0.714 515 K HN 0.365 nan 8.250 nan 0.000 0.440 516 A N -0.089 122.627 122.820 -0.174 0.000 1.873 516 A HA -0.096 4.225 4.320 0.002 0.000 0.215 516 A C 2.297 179.828 177.584 -0.088 0.000 1.186 516 A CA 1.806 53.737 52.037 -0.176 0.000 0.616 516 A CB -0.794 18.044 19.000 -0.271 0.000 0.823 516 A HN 0.114 nan 8.150 nan 0.000 0.442 517 V N 0.046 119.923 119.914 -0.062 0.000 2.407 517 V HA -0.260 3.862 4.120 0.002 0.000 0.248 517 V C 3.023 179.100 176.094 -0.029 0.000 1.055 517 V CA 1.849 64.129 62.300 -0.034 0.000 1.049 517 V CB -1.345 30.466 31.823 -0.019 0.000 0.662 517 V HN 0.628 nan 8.190 nan 0.000 0.455 518 A N 0.211 123.012 122.820 -0.031 0.000 1.851 518 A HA -0.197 4.124 4.320 0.002 0.000 0.216 518 A C 2.214 179.785 177.584 -0.021 0.000 1.195 518 A CA 2.115 54.139 52.037 -0.023 0.000 0.622 518 A CB -0.629 18.358 19.000 -0.021 0.000 0.831 518 A HN 0.494 nan 8.150 nan 0.000 0.444 519 L N -0.768 120.439 121.223 -0.027 0.000 2.017 519 L HA -0.202 4.140 4.340 0.002 0.000 0.208 519 L C 3.101 179.964 176.870 -0.013 0.000 1.073 519 L CA 1.231 56.061 54.840 -0.016 0.000 0.745 519 L CB -0.653 41.396 42.059 -0.017 0.000 0.894 519 L HN 0.433 nan 8.230 nan 0.000 0.432 520 A N 0.038 122.846 122.820 -0.021 0.000 1.933 520 A HA -0.187 4.135 4.320 0.002 0.000 0.218 520 A C 2.346 179.919 177.584 -0.019 0.000 1.175 520 A CA 2.060 54.086 52.037 -0.019 0.000 0.628 520 A CB -0.573 18.413 19.000 -0.024 0.000 0.814 520 A HN 0.532 nan 8.150 nan 0.000 0.444 521 S N -1.623 114.066 115.700 -0.018 0.000 2.556 521 S HA 0.187 4.659 4.470 0.002 0.000 0.216 521 S C 0.008 174.598 174.600 -0.015 0.000 0.970 521 S CA 0.352 58.542 58.200 -0.017 0.000 0.912 521 S CB 0.078 63.268 63.200 -0.016 0.000 0.790 521 S HN 0.387 nan 8.310 nan 0.000 0.504 522 D N 2.011 122.403 120.400 -0.014 0.000 2.400 522 D HA 0.343 4.984 4.640 0.002 0.000 0.272 522 D C -1.917 174.376 176.300 -0.012 0.000 1.220 522 D CA -2.220 51.773 54.000 -0.012 0.000 0.897 522 D CB 1.630 42.424 40.800 -0.009 0.000 1.134 522 D HN -0.027 nan 8.370 nan 0.000 0.507 523 P HA -0.113 nan 4.420 nan 0.000 0.220 523 P C 1.204 178.492 177.300 -0.020 0.000 1.148 523 P CA 0.596 63.682 63.100 -0.023 0.000 0.803 523 P CB 0.366 32.048 31.700 -0.031 0.000 0.782 524 A N 0.963 123.774 122.820 -0.015 0.000 1.877 524 A HA -0.080 4.242 4.320 0.002 0.000 0.216 524 A C 2.501 180.083 177.584 -0.003 0.000 1.186 524 A CA 2.250 54.280 52.037 -0.011 0.000 0.620 524 A CB -1.519 17.475 19.000 -0.010 0.000 0.822 524 A HN 0.245 nan 8.150 nan 0.000 0.443 525 A N -0.898 121.922 122.820 -0.000 0.000 1.968 525 A HA 0.084 4.406 4.320 0.002 0.000 0.217 525 A C 2.145 179.741 177.584 0.020 0.000 1.169 525 A CA 1.475 53.516 52.037 0.007 0.000 0.638 525 A CB -0.491 18.511 19.000 0.004 0.000 0.812 525 A HN 0.619 nan 8.150 nan 0.000 0.446 526 L N -0.408 120.826 121.223 0.019 0.000 2.044 526 L HA -0.089 4.253 4.340 0.002 0.000 0.205 526 L C 2.535 179.443 176.870 0.063 0.000 1.075 526 L CA 2.511 57.379 54.840 0.046 0.000 0.747 526 L CB -0.646 41.426 42.059 0.023 0.000 0.903 526 L HN 0.365 nan 8.230 nan 0.000 0.435 527 T N 0.029 114.580 114.554 -0.005 0.000 2.720 527 T HA -0.211 4.141 4.350 0.002 0.000 0.268 527 T C 1.894 176.618 174.700 0.039 0.000 1.037 527 T CA 1.378 63.462 62.100 -0.027 0.000 1.144 527 T CB -0.665 68.177 68.868 -0.042 0.000 0.864 527 T HN 0.518 nan 8.240 nan 0.000 0.444 528 A N 1.155 123.995 122.820 0.033 0.000 1.930 528 A HA 0.044 4.365 4.320 0.002 0.000 0.217 528 A C 2.247 179.862 177.584 0.052 0.000 1.175 528 A CA 1.112 53.170 52.037 0.035 0.000 0.627 528 A CB -0.771 18.240 19.000 0.018 0.000 0.815 528 A HN 0.388 nan 8.150 nan 0.000 0.443 529 L N -0.413 120.851 121.223 0.068 0.000 1.989 529 L HA -0.214 4.127 4.340 0.002 0.000 0.211 529 L C 2.361 179.269 176.870 0.064 0.000 1.071 529 L CA 2.337 57.213 54.840 0.060 0.000 0.749 529 L CB -0.917 41.181 42.059 0.064 0.000 0.890 529 L HN 0.549 nan 8.230 nan 0.000 0.431 530 H N -0.671 118.392 119.070 -0.013 0.000 2.289 530 H HA -0.222 4.335 4.556 0.002 0.000 0.294 530 H C 2.075 177.386 175.328 -0.028 0.000 1.095 530 H CA 1.607 57.643 56.048 -0.020 0.000 1.256 530 H CB -0.187 29.565 29.762 -0.017 0.000 1.359 530 H HN 0.551 nan 8.280 nan 0.000 0.487 531 A N 1.088 123.973 122.820 0.107 0.000 1.903 531 A HA -0.280 4.042 4.320 0.002 0.000 0.219 531 A C 2.426 180.017 177.584 0.012 0.000 1.191 531 A CA 2.175 54.236 52.037 0.040 0.000 0.638 531 A CB -0.674 18.343 19.000 0.029 0.000 0.823 531 A HN 0.364 nan 8.150 nan 0.000 0.451 532 R N -0.769 119.737 120.500 0.011 0.000 2.092 532 R HA -0.041 4.300 4.340 0.002 0.000 0.231 532 R C 1.946 178.235 176.300 -0.018 0.000 1.119 532 R CA 1.401 57.500 56.100 -0.002 0.000 0.970 532 R CB -0.432 29.869 30.300 0.001 0.000 0.864 532 R HN 0.287 nan 8.270 nan 0.000 0.440 533 V N 1.282 121.171 119.914 -0.041 0.000 2.282 533 V HA -0.301 3.820 4.120 0.002 0.000 0.249 533 V C 1.836 177.893 176.094 -0.062 0.000 1.057 533 V CA 2.362 64.622 62.300 -0.067 0.000 1.032 533 V CB -0.621 31.118 31.823 -0.140 0.000 0.645 533 V HN 0.459 nan 8.190 nan 0.000 0.447 534 D N -0.340 120.020 120.400 -0.066 0.000 2.104 534 D HA -0.158 4.484 4.640 0.002 0.000 0.194 534 D C 1.981 178.252 176.300 -0.049 0.000 0.994 534 D CA 1.579 55.532 54.000 -0.078 0.000 0.830 534 D CB -0.071 40.691 40.800 -0.062 0.000 0.959 534 D HN 0.242 nan 8.370 nan 0.000 0.452 535 V N 0.320 120.220 119.914 -0.022 0.000 2.295 535 V HA -0.210 3.912 4.120 0.002 0.000 0.246 535 V C 2.565 178.667 176.094 0.014 0.000 1.049 535 V CA 1.310 63.608 62.300 -0.002 0.000 1.024 535 V CB -0.548 31.277 31.823 0.003 0.000 0.648 535 V HN 0.303 nan 8.190 nan 0.000 0.447 536 L N -0.219 121.011 121.223 0.010 0.000 2.201 536 L HA -0.122 4.220 4.340 0.002 0.000 0.212 536 L C 2.724 179.628 176.870 0.057 0.000 1.105 536 L CA 1.385 56.241 54.840 0.027 0.000 0.775 536 L CB -0.622 41.444 42.059 0.012 0.000 0.913 536 L HN 0.294 nan 8.230 nan 0.000 0.440 537 R N 0.930 121.455 120.500 0.043 0.000 2.081 537 R HA -0.192 4.149 4.340 0.002 0.000 0.235 537 R C 2.282 178.644 176.300 0.103 0.000 1.131 537 R CA 1.672 57.816 56.100 0.073 0.000 0.960 537 R CB -0.121 30.119 30.300 -0.099 0.000 0.856 537 R HN 0.233 nan 8.270 nan 0.000 0.436 538 R N -0.762 119.777 120.500 0.064 0.000 2.317 538 R HA 0.109 4.451 4.340 0.002 0.000 0.208 538 R C 0.743 177.180 176.300 0.227 0.000 0.914 538 R CA 0.689 56.870 56.100 0.135 0.000 1.060 538 R CB 0.422 30.763 30.300 0.069 0.000 1.015 538 R HN 0.292 nan 8.270 nan 0.000 0.498 539 A N -0.204 122.710 122.820 0.157 0.000 2.427 539 A HA 0.143 4.465 4.320 0.002 0.000 0.225 539 A C 0.507 178.194 177.584 0.172 0.000 1.257 539 A CA 0.002 52.153 52.037 0.190 0.000 0.985 539 A CB 0.424 19.489 19.000 0.110 0.000 1.136 539 A HN 0.297 nan 8.150 nan 0.000 0.538 540 S N -0.766 114.969 115.700 0.058 0.000 2.652 540 S HA 0.476 4.947 4.470 0.002 0.000 0.270 540 S C 1.170 175.674 174.600 -0.160 0.000 1.243 540 S CA 0.276 58.477 58.200 0.003 0.000 0.999 540 S CB 1.346 64.538 63.200 -0.012 0.000 0.973 540 S HN 0.633 nan 8.310 nan 0.000 0.544 541 G N 0.564 109.335 108.800 -0.048 0.000 2.848 541 G HA2 0.063 4.025 3.960 0.002 0.000 0.208 541 G HA3 0.063 4.025 3.960 0.002 0.000 0.208 541 G C 1.021 175.836 174.900 -0.141 0.000 1.152 541 G CA 0.328 45.413 45.100 -0.024 0.000 0.789 541 G HN 0.610 nan 8.290 nan 0.000 0.531 542 V N -0.010 119.770 119.914 -0.224 0.000 2.332 542 V HA -0.101 4.021 4.120 0.002 0.000 0.248 542 V C 1.645 177.423 176.094 -0.527 0.000 1.055 542 V CA 1.351 63.422 62.300 -0.382 0.000 1.038 542 V CB -0.478 31.026 31.823 -0.532 0.000 0.651 542 V HN 0.413 nan 8.190 nan 0.000 0.450 543 F N -1.089 118.727 119.950 -0.223 0.000 2.850 543 F HA 0.325 4.854 4.527 0.003 0.000 0.306 543 F C 0.530 176.256 175.800 -0.123 0.000 1.162 543 F CA -0.371 57.534 58.000 -0.157 0.000 1.327 543 F CB -0.127 38.900 39.000 0.045 0.000 0.953 543 F HN 0.232 nan 8.300 nan 0.000 0.507 544 H N 0.425 119.579 119.070 0.140 0.000 2.643 544 H HA 0.181 4.739 4.556 0.003 0.000 0.259 544 H C 1.261 176.638 175.328 0.082 0.000 1.298 544 H CA -0.656 55.458 56.048 0.109 0.000 1.301 544 H CB 0.742 30.566 29.762 0.103 0.000 1.422 544 H HN 0.095 nan 8.280 nan 0.000 0.521 545 M N 0.955 120.623 119.600 0.114 0.000 2.202 545 M HA -0.145 4.337 4.480 0.002 0.000 0.262 545 M C 1.006 177.366 176.300 0.099 0.000 1.063 545 M CA 1.231 56.544 55.300 0.021 0.000 1.097 545 M CB -0.404 32.129 32.600 -0.112 0.000 1.382 545 M HN 0.621 nan 8.290 nan 0.000 0.413 546 D N 0.198 120.660 120.400 0.103 0.000 2.103 546 D HA -0.133 4.509 4.640 0.002 0.000 0.190 546 D C 2.045 178.414 176.300 0.116 0.000 0.997 546 D CA 1.978 56.031 54.000 0.088 0.000 0.833 546 D CB -0.506 40.329 40.800 0.059 0.000 0.961 546 D HN 0.449 nan 8.370 nan 0.000 0.447 547 G N -0.617 108.270 108.800 0.144 0.000 2.418 547 G HA2 -0.289 3.673 3.960 0.002 0.000 0.217 547 G HA3 -0.289 3.673 3.960 0.002 0.000 0.217 547 G C 1.530 176.518 174.900 0.146 0.000 1.158 547 G CA 0.348 45.528 45.100 0.133 0.000 0.771 547 G HN 0.294 nan 8.290 nan 0.000 0.545 548 F N 2.062 122.028 119.950 0.028 0.000 2.171 548 F HA 0.035 4.564 4.527 0.003 0.000 0.300 548 F C 2.826 178.635 175.800 0.014 0.000 1.090 548 F CA 1.239 59.237 58.000 -0.003 0.000 1.293 548 F CB 0.067 39.031 39.000 -0.061 0.000 1.013 548 F HN 0.249 nan 8.300 nan 0.000 0.486 549 A N 0.427 123.427 122.820 0.300 0.000 1.828 549 A HA -0.228 4.093 4.320 0.002 0.000 0.215 549 A C 1.969 179.655 177.584 0.169 0.000 1.203 549 A CA 1.954 54.119 52.037 0.214 0.000 0.614 549 A CB -1.221 17.852 19.000 0.122 0.000 0.844 549 A HN 0.410 nan 8.150 nan 0.000 0.445 550 D N -0.117 120.350 120.400 0.112 0.000 2.191 550 D HA -0.231 4.410 4.640 0.002 0.000 0.190 550 D C 1.549 177.878 176.300 0.048 0.000 1.007 550 D CA 1.958 56.002 54.000 0.073 0.000 0.865 550 D CB -0.591 40.242 40.800 0.055 0.000 0.929 550 D HN 0.586 nan 8.370 nan 0.000 0.447 551 D N -0.803 119.611 120.400 0.024 0.000 2.078 551 D HA -0.165 4.477 4.640 0.002 0.000 0.193 551 D C 1.913 178.193 176.300 -0.033 0.000 0.990 551 D CA 0.626 54.601 54.000 -0.041 0.000 0.827 551 D CB -0.374 40.344 40.800 -0.137 0.000 0.975 551 D HN 0.077 nan 8.370 nan 0.000 0.451 552 F N 1.010 120.850 119.950 -0.184 0.000 2.025 552 F HA -0.119 4.409 4.527 0.003 0.000 0.297 552 F C 2.344 178.092 175.800 -0.086 0.000 1.132 552 F CA 2.519 60.418 58.000 -0.168 0.000 1.191 552 F CB -0.928 38.012 39.000 -0.099 0.000 0.963 552 F HN 0.073 nan 8.300 nan 0.000 0.481 553 G N -0.577 108.261 108.800 0.063 0.000 2.513 553 G HA2 -0.318 3.643 3.960 0.002 0.000 0.219 553 G HA3 -0.318 3.643 3.960 0.002 0.000 0.219 553 G C 1.802 176.658 174.900 -0.072 0.000 1.160 553 G CA 1.342 46.431 45.100 -0.019 0.000 0.767 553 G HN 0.708 nan 8.290 nan 0.000 0.571 554 A N 0.665 123.462 122.820 -0.038 0.000 1.865 554 A HA -0.014 4.307 4.320 0.002 0.000 0.217 554 A C 2.439 179.975 177.584 -0.079 0.000 1.191 554 A CA 1.695 53.713 52.037 -0.032 0.000 0.623 554 A CB -0.635 18.356 19.000 -0.016 0.000 0.826 554 A HN 0.545 nan 8.150 nan 0.000 0.444 555 L N -0.558 120.584 121.223 -0.134 0.000 2.079 555 L HA -0.188 4.153 4.340 0.002 0.000 0.210 555 L C 2.416 179.146 176.870 -0.233 0.000 1.081 555 L CA 1.496 56.229 54.840 -0.179 0.000 0.752 555 L CB -0.241 41.691 42.059 -0.212 0.000 0.896 555 L HN 0.457 nan 8.230 nan 0.000 0.433 556 L N -0.518 120.516 121.223 -0.314 0.000 1.970 556 L HA -0.291 4.051 4.340 0.002 0.000 0.212 556 L C 2.743 179.491 176.870 -0.202 0.000 1.071 556 L CA 1.824 56.482 54.840 -0.304 0.000 0.751 556 L CB -0.624 41.224 42.059 -0.351 0.000 0.889 556 L HN 0.373 nan 8.230 nan 0.000 0.432 557 Q N -0.593 119.134 119.800 -0.121 0.000 2.112 557 Q HA -0.265 4.076 4.340 0.002 0.000 0.206 557 Q C 2.304 178.339 176.000 0.059 0.000 0.987 557 Q CA 1.850 57.657 55.803 0.006 0.000 0.858 557 Q CB -0.299 28.525 28.738 0.144 0.000 0.905 557 Q HN 0.593 nan 8.270 nan 0.000 0.420 558 A N 0.812 123.628 122.820 -0.007 0.000 1.845 558 A HA -0.209 4.112 4.320 0.002 0.000 0.215 558 A C 2.045 179.609 177.584 -0.034 0.000 1.195 558 A CA 1.462 53.495 52.037 -0.008 0.000 0.616 558 A CB -0.908 18.065 19.000 -0.045 0.000 0.832 558 A HN 0.381 nan 8.150 nan 0.000 0.443 559 L N -0.112 121.037 121.223 -0.124 0.000 2.089 559 L HA -0.190 4.152 4.340 0.002 0.000 0.213 559 L C 2.651 179.482 176.870 -0.065 0.000 1.079 559 L CA 2.338 57.069 54.840 -0.182 0.000 0.758 559 L CB -0.807 41.044 42.059 -0.345 0.000 0.891 559 L HN 0.404 nan 8.230 nan 0.000 0.433 560 A N -0.433 122.346 122.820 -0.070 0.000 1.865 560 A HA -0.264 4.057 4.320 0.002 0.000 0.217 560 A C 2.419 180.121 177.584 0.197 0.000 1.191 560 A CA 2.018 54.047 52.037 -0.014 0.000 0.623 560 A CB -0.614 18.243 19.000 -0.239 0.000 0.826 560 A HN 0.500 nan 8.150 nan 0.000 0.444 561 R N -1.109 119.531 120.500 0.234 0.000 2.105 561 R HA -0.116 4.226 4.340 0.002 0.000 0.239 561 R C 2.465 178.834 176.300 0.115 0.000 1.135 561 R CA 1.466 57.692 56.100 0.210 0.000 0.967 561 R CB -0.295 30.093 30.300 0.145 0.000 0.861 561 R HN 0.496 nan 8.270 nan 0.000 0.442 562 R N 0.011 120.552 120.500 0.068 0.000 2.148 562 R HA -0.099 4.242 4.340 0.002 0.000 0.227 562 R C 0.751 177.005 176.300 -0.075 0.000 1.103 562 R CA 1.163 57.255 56.100 -0.013 0.000 0.983 562 R CB 0.062 30.332 30.300 -0.051 0.000 0.874 562 R HN 0.451 nan 8.270 nan 0.000 0.451 563 H N -1.225 117.866 119.070 0.036 0.000 2.519 563 H HA 0.131 4.689 4.556 0.003 0.000 0.289 563 H C 0.445 175.818 175.328 0.075 0.000 1.040 563 H CA 0.676 56.753 56.048 0.048 0.000 1.165 563 H CB 0.813 30.595 29.762 0.035 0.000 1.462 563 H HN 0.495 nan 8.280 nan 0.000 0.555 564 G N 1.104 109.996 108.800 0.154 0.000 2.164 564 G HA2 -0.238 3.724 3.960 0.002 0.000 0.212 564 G HA3 -0.238 3.724 3.960 0.002 0.000 0.212 564 G C -0.347 174.672 174.900 0.199 0.000 1.031 564 G CA -0.116 45.062 45.100 0.130 0.000 0.730 564 G HN 0.378 nan 8.290 nan 0.000 0.501 565 W N 0.490 121.806 121.300 0.027 0.000 2.272 565 W HA 0.641 5.303 4.660 0.003 0.000 0.318 565 W C 0.687 177.211 176.519 0.008 0.000 1.255 565 W CA -0.649 56.706 57.345 0.017 0.000 1.200 565 W CB 0.470 29.940 29.460 0.016 0.000 1.170 565 W HN 0.075 nan 8.180 nan 0.000 0.549 566 L N 7.939 128.887 121.223 -0.458 0.000 2.928 566 L HA 0.355 4.696 4.340 0.002 0.000 0.246 566 L C 1.393 177.771 176.870 -0.820 0.000 1.239 566 L CA 0.228 54.784 54.840 -0.474 0.000 1.035 566 L CB -0.822 41.084 42.059 -0.255 0.000 1.360 566 L HN 0.906 nan 8.230 nan 0.000 0.529 567 G N 0.784 108.530 108.800 -1.757 0.000 2.536 567 G HA2 -0.315 3.647 3.960 0.002 0.000 0.280 567 G HA3 -0.315 3.647 3.960 0.002 0.000 0.280 567 G C 0.428 174.697 174.900 -1.051 0.000 1.152 567 G CA -0.056 43.952 45.100 -1.821 0.000 0.970 567 G HN 0.242 nan 8.290 nan 0.000 0.549 568 I N 0.000 120.296 120.570 -0.457 0.000 2.984 568 I HA 0.000 4.171 4.170 0.002 0.000 0.288 568 I CA 0.000 61.187 61.300 -0.189 0.000 1.566 568 I CB 0.000 37.901 38.000 -0.164 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494