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 3fks_1_B DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALNLEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA FAQXXXDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SF 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.604 177.584 0.033 0.000 1.274 25 A CA 0.000 52.056 52.037 0.031 0.000 0.836 25 A CB 0.000 19.025 19.000 0.042 0.000 0.831 26 N N 1.815 120.530 118.700 0.024 0.000 2.514 26 N HA 0.541 5.277 4.740 -0.007 0.000 0.277 26 N C 0.174 175.695 175.510 0.017 0.000 1.126 26 N CA -0.375 52.684 53.050 0.015 0.000 0.978 26 N CB 0.737 39.227 38.487 0.004 0.000 1.106 26 N HN 0.575 nan 8.380 nan 0.000 0.461 27 L N 2.481 123.708 121.223 0.006 0.000 3.014 27 L HA 0.333 4.669 4.340 -0.007 0.000 0.263 27 L C 0.831 177.667 176.870 -0.056 0.000 1.207 27 L CA -0.139 54.691 54.840 -0.018 0.000 1.017 27 L CB 0.044 42.100 42.059 -0.005 0.000 1.360 27 L HN 0.478 nan 8.230 nan 0.000 0.560 28 N N -0.337 118.340 118.700 -0.039 0.000 2.564 28 N HA 0.036 4.772 4.740 -0.007 0.000 0.202 28 N C 1.294 176.778 175.510 -0.043 0.000 1.052 28 N CA 0.699 53.722 53.050 -0.045 0.000 0.872 28 N CB 0.707 39.175 38.487 -0.031 0.000 1.303 28 N HN 0.148 nan 8.380 nan 0.000 0.440 29 E N 0.302 120.481 120.200 -0.035 0.000 2.473 29 E HA 0.115 4.461 4.350 -0.007 0.000 0.204 29 E C 0.363 176.938 176.600 -0.042 0.000 0.994 29 E CA 0.334 56.713 56.400 -0.035 0.000 0.945 29 E CB 0.901 30.586 29.700 -0.025 0.000 0.990 29 E HN 0.353 nan 8.360 nan 0.000 0.493 30 T N -2.014 112.516 114.554 -0.039 0.000 2.907 30 T HA 0.803 5.149 4.350 -0.007 0.000 0.290 30 T C 0.255 174.932 174.700 -0.038 0.000 1.066 30 T CA -0.760 61.315 62.100 -0.041 0.000 1.012 30 T CB 2.540 71.395 68.868 -0.022 0.000 1.184 30 T HN 0.004 nan 8.240 nan 0.000 0.522 31 G N 0.171 108.949 108.800 -0.036 0.000 2.692 31 G HA2 0.628 4.584 3.960 -0.007 0.000 0.291 31 G HA3 0.628 4.584 3.960 -0.007 0.000 0.291 31 G C -1.551 173.373 174.900 0.040 0.000 1.423 31 G CA -0.994 44.105 45.100 -0.001 0.000 0.843 31 G HN 0.630 nan 8.290 nan 0.000 0.486 32 R N 0.082 120.655 120.500 0.122 0.000 2.589 32 R HA 0.477 4.813 4.340 -0.007 0.000 0.293 32 R C -0.366 176.023 176.300 0.148 0.000 0.963 32 R CA -0.803 55.373 56.100 0.127 0.000 0.905 32 R CB 1.969 32.347 30.300 0.130 0.000 1.144 32 R HN 0.320 nan 8.270 nan 0.000 0.459 33 V N 5.214 125.214 119.914 0.143 0.000 2.421 33 V HA -0.012 4.104 4.120 -0.007 0.000 0.271 33 V C 1.952 178.116 176.094 0.116 0.000 1.031 33 V CA 0.287 62.684 62.300 0.162 0.000 1.032 33 V CB 0.484 32.422 31.823 0.192 0.000 1.009 33 V HN 0.700 nan 8.190 nan 0.000 0.477 34 L N 4.735 126.031 121.223 0.122 0.000 2.072 34 L HA 0.276 4.612 4.340 -0.007 0.000 0.205 34 L C 0.992 177.896 176.870 0.056 0.000 1.079 34 L CA 1.570 56.461 54.840 0.084 0.000 0.752 34 L CB 0.174 42.300 42.059 0.112 0.000 0.906 34 L HN 0.799 nan 8.230 nan 0.000 0.436 35 A N -1.913 120.946 122.820 0.064 0.000 2.586 35 A HA 0.620 4.936 4.320 -0.007 0.000 0.290 35 A C -1.688 175.920 177.584 0.040 0.000 1.086 35 A CA -0.261 51.800 52.037 0.041 0.000 0.665 35 A CB 1.573 20.590 19.000 0.028 0.000 1.279 35 A HN -0.135 nan 8.150 nan 0.000 0.423 36 V N -0.809 119.114 119.914 0.015 0.000 3.147 36 V HA 0.879 4.995 4.120 -0.007 0.000 0.299 36 V C -0.315 175.767 176.094 -0.019 0.000 1.302 36 V CA 0.912 63.209 62.300 -0.004 0.000 1.015 36 V CB 2.106 33.914 31.823 -0.024 0.000 1.086 36 V HN 2.776 nan 8.190 nan 0.000 0.437 37 G N 2.987 111.768 108.800 -0.031 0.000 2.318 37 G HA2 0.471 4.427 3.960 -0.007 0.000 0.302 37 G HA3 0.471 4.427 3.960 -0.007 0.000 0.302 37 G C -0.899 173.978 174.900 -0.038 0.000 1.633 37 G CA 0.121 45.201 45.100 -0.033 0.000 0.965 37 G HN 1.245 nan 8.290 nan 0.000 0.698 38 D N -0.641 119.734 120.400 -0.042 0.000 2.775 38 D HA 0.006 4.642 4.640 -0.007 0.000 0.235 38 D C 1.779 178.043 176.300 -0.059 0.000 1.120 38 D CA 3.281 57.253 54.000 -0.047 0.000 0.708 38 D CB -1.206 39.567 40.800 -0.044 0.000 1.084 38 D HN 2.323 nan 8.370 nan 0.000 0.434 39 G N -0.854 107.907 108.800 -0.065 0.000 2.328 39 G HA2 -0.352 3.604 3.960 -0.007 0.000 0.256 39 G HA3 -0.352 3.604 3.960 -0.007 0.000 0.256 39 G C 0.592 175.439 174.900 -0.089 0.000 1.014 39 G CA 0.765 45.816 45.100 -0.081 0.000 0.620 39 G HN 0.887 nan 8.290 nan 0.000 0.530 40 I N -2.042 118.488 120.570 -0.068 0.000 2.947 40 I HA 0.884 5.050 4.170 -0.007 0.000 0.314 40 I C 0.032 176.135 176.117 -0.022 0.000 1.028 40 I CA -0.959 60.313 61.300 -0.045 0.000 1.077 40 I CB 2.290 40.268 38.000 -0.036 0.000 1.274 40 I HN 0.767 nan 8.210 nan 0.000 0.485 41 A N 3.049 125.885 122.820 0.027 0.000 2.414 41 A HA 0.592 4.908 4.320 -0.007 0.000 0.286 41 A C -0.695 176.956 177.584 0.112 0.000 1.073 41 A CA -0.743 51.335 52.037 0.069 0.000 0.727 41 A CB 0.969 20.027 19.000 0.096 0.000 1.215 41 A HN 0.774 nan 8.150 nan 0.000 0.430 42 R N 1.324 121.877 120.500 0.087 0.000 2.296 42 R HA 0.456 4.792 4.340 -0.007 0.000 0.323 42 R C -0.723 175.652 176.300 0.124 0.000 1.067 42 R CA -0.038 56.116 56.100 0.091 0.000 0.946 42 R CB 0.993 31.334 30.300 0.070 0.000 0.991 42 R HN 0.412 nan 8.270 nan 0.000 0.448 43 V N 4.863 124.850 119.914 0.121 0.000 2.555 43 V HA 0.308 4.425 4.120 -0.007 0.000 0.302 43 V C -0.569 175.606 176.094 0.134 0.000 1.038 43 V CA -0.837 61.540 62.300 0.129 0.000 0.887 43 V CB 1.526 33.397 31.823 0.079 0.000 0.991 43 V HN 0.538 nan 8.190 nan 0.000 0.434 44 F N 4.058 124.019 119.950 0.019 0.000 2.394 44 F HA 0.751 5.274 4.527 -0.007 0.000 0.340 44 F C 0.813 176.613 175.800 0.000 0.000 1.105 44 F CA 1.294 59.300 58.000 0.010 0.000 1.124 44 F CB 1.092 40.099 39.000 0.011 0.000 1.145 44 F HN 0.874 nan 8.300 nan 0.000 0.505 45 G N 4.300 112.607 108.800 -0.822 0.000 2.662 45 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.236 45 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.236 45 G C 0.158 174.890 174.900 -0.280 0.000 1.212 45 G CA -0.414 44.337 45.100 -0.582 0.000 0.968 45 G HN 1.334 nan 8.290 nan 0.000 0.576 46 L N 0.345 121.469 121.223 -0.164 0.000 3.742 46 L HA -0.218 4.118 4.340 -0.007 0.000 0.431 46 L C 1.547 178.351 176.870 -0.110 0.000 1.220 46 L CA 0.595 55.368 54.840 -0.112 0.000 0.863 46 L CB -1.176 40.827 42.059 -0.093 0.000 1.751 46 L HN 0.650 nan 8.230 nan 0.000 0.922 47 N N 0.126 118.752 118.700 -0.123 0.000 2.430 47 N HA -0.110 4.626 4.740 -0.007 0.000 0.186 47 N C 1.200 176.670 175.510 -0.067 0.000 1.032 47 N CA 1.265 54.252 53.050 -0.104 0.000 0.893 47 N CB -0.109 38.316 38.487 -0.104 0.000 0.957 47 N HN 0.564 nan 8.380 nan 0.000 0.442 48 N N 0.258 118.924 118.700 -0.057 0.000 2.236 48 N HA 0.080 4.816 4.740 -0.007 0.000 0.196 48 N C 0.381 175.871 175.510 -0.035 0.000 1.114 48 N CA -0.345 52.681 53.050 -0.040 0.000 0.859 48 N CB 0.377 38.844 38.487 -0.033 0.000 0.982 48 N HN 0.185 nan 8.380 nan 0.000 0.493 49 I N 1.325 121.870 120.570 -0.041 0.000 3.161 49 I HA -0.119 4.047 4.170 -0.007 0.000 0.284 49 I C 0.354 176.459 176.117 -0.020 0.000 1.252 49 I CA 0.340 61.621 61.300 -0.032 0.000 1.374 49 I CB 0.523 38.501 38.000 -0.038 0.000 1.359 49 I HN 0.094 nan 8.210 nan 0.000 0.606 50 Q N 3.832 123.626 119.800 -0.010 0.000 2.351 50 Q HA 0.691 5.027 4.340 -0.007 0.000 0.273 50 Q C -0.741 175.264 176.000 0.009 0.000 1.077 50 Q CA -1.187 54.615 55.803 -0.001 0.000 0.843 50 Q CB 1.556 30.296 28.738 0.002 0.000 1.367 50 Q HN 0.801 nan 8.270 nan 0.000 0.449 51 A N 1.658 124.486 122.820 0.013 0.000 2.491 51 A HA 0.110 4.426 4.320 -0.007 0.000 0.261 51 A C 0.038 177.643 177.584 0.034 0.000 1.101 51 A CA 0.332 52.382 52.037 0.022 0.000 0.772 51 A CB -0.362 18.651 19.000 0.021 0.000 1.043 51 A HN 0.932 nan 8.150 nan 0.000 0.501 52 E N -0.137 120.091 120.200 0.048 0.000 3.413 52 E HA -0.198 4.148 4.350 -0.007 0.000 0.300 52 E C 0.148 176.790 176.600 0.070 0.000 0.891 52 E CA 1.125 57.566 56.400 0.069 0.000 1.050 52 E CB -1.427 28.311 29.700 0.063 0.000 1.534 52 E HN 0.941 nan 8.360 nan 0.000 0.436 53 E N 1.035 121.267 120.200 0.052 0.000 2.354 53 E HA 0.292 4.638 4.350 -0.007 0.000 0.269 53 E C -0.269 176.367 176.600 0.060 0.000 1.036 53 E CA -0.513 55.911 56.400 0.041 0.000 0.876 53 E CB 0.724 30.435 29.700 0.018 0.000 1.009 53 E HN 0.099 nan 8.360 nan 0.000 0.416 54 L N 5.062 126.314 121.223 0.049 0.000 2.439 54 L HA 0.220 4.556 4.340 -0.007 0.000 0.269 54 L C -0.440 176.450 176.870 0.033 0.000 1.179 54 L CA 0.121 54.997 54.840 0.060 0.000 0.828 54 L CB 1.235 43.302 42.059 0.014 0.000 1.106 54 L HN 0.458 nan 8.230 nan 0.000 0.467 55 V N 0.892 120.835 119.914 0.049 0.000 3.156 55 V HA 0.771 4.887 4.120 -0.007 0.000 0.311 55 V C -1.011 175.071 176.094 -0.020 0.000 1.208 55 V CA -0.799 61.479 62.300 -0.037 0.000 1.063 55 V CB 1.795 33.536 31.823 -0.136 0.000 1.098 55 V HN 0.864 nan 8.190 nan 0.000 0.452 56 E N -0.371 119.749 120.200 -0.134 0.000 2.335 56 E HA 0.587 4.933 4.350 -0.007 0.000 0.280 56 E C -1.954 174.563 176.600 -0.138 0.000 0.918 56 E CA -0.577 55.811 56.400 -0.020 0.000 0.765 56 E CB 2.114 31.827 29.700 0.022 0.000 1.218 56 E HN 0.575 nan 8.360 nan 0.000 0.425 57 F N 0.889 120.866 119.950 0.046 0.000 2.377 57 F HA 0.317 4.840 4.527 -0.007 0.000 0.335 57 F C 1.841 177.661 175.800 0.033 0.000 1.099 57 F CA -0.445 57.579 58.000 0.041 0.000 1.072 57 F CB 0.741 39.767 39.000 0.044 0.000 1.417 57 F HN 0.453 nan 8.300 nan 0.000 0.495 58 S N -0.462 115.387 115.700 0.249 0.000 2.359 58 S HA -0.200 4.266 4.470 -0.007 0.000 0.224 58 S C 1.972 176.642 174.600 0.116 0.000 1.035 58 S CA 1.663 59.945 58.200 0.137 0.000 1.018 58 S CB -0.473 62.795 63.200 0.114 0.000 0.876 58 S HN 0.574 nan 8.310 nan 0.000 0.448 59 S N -0.398 115.378 115.700 0.127 0.000 2.603 59 S HA 0.194 4.660 4.470 -0.007 0.000 0.229 59 S C 1.433 176.088 174.600 0.092 0.000 0.972 59 S CA 0.906 59.156 58.200 0.084 0.000 0.935 59 S CB -0.608 62.624 63.200 0.054 0.000 0.769 59 S HN 0.784 nan 8.310 nan 0.000 0.536 60 G N -0.027 108.849 108.800 0.126 0.000 2.225 60 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.254 60 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.254 60 G C 0.356 175.342 174.900 0.143 0.000 0.988 60 G CA 0.225 45.392 45.100 0.112 0.000 0.625 60 G HN 0.856 nan 8.290 nan 0.000 0.527 61 V N 1.518 121.534 119.914 0.171 0.000 2.788 61 V HA 0.408 4.524 4.120 -0.007 0.000 0.307 61 V C 0.800 177.082 176.094 0.313 0.000 1.069 61 V CA 0.579 62.987 62.300 0.180 0.000 1.173 61 V CB 0.642 32.513 31.823 0.081 0.000 0.925 61 V HN 0.372 nan 8.190 nan 0.000 0.492 62 K N 4.831 125.389 120.400 0.264 0.000 2.098 62 K HA 0.732 5.048 4.320 -0.007 0.000 0.261 62 K C 0.066 176.981 176.600 0.524 0.000 0.987 62 K CA 0.011 56.474 56.287 0.294 0.000 0.916 62 K CB 1.702 34.261 32.500 0.098 0.000 1.039 62 K HN 0.937 nan 8.250 nan 0.000 0.455 63 G N 0.855 109.987 108.800 0.553 0.000 2.708 63 G HA2 0.593 4.549 3.960 -0.007 0.000 0.289 63 G HA3 0.593 4.549 3.960 -0.007 0.000 0.289 63 G C -1.762 173.460 174.900 0.536 0.000 1.416 63 G CA -0.743 44.745 45.100 0.648 0.000 0.829 63 G HN 0.501 nan 8.290 nan 0.000 0.480 64 M N 1.091 120.948 119.600 0.428 0.000 2.326 64 M HA 0.674 5.150 4.480 -0.007 0.000 0.306 64 M C -0.313 176.083 176.300 0.160 0.000 1.054 64 M CA -0.875 54.618 55.300 0.322 0.000 0.922 64 M CB 1.964 34.819 32.600 0.425 0.000 1.632 64 M HN 0.723 nan 8.290 nan 0.000 0.436 65 A N 4.555 127.444 122.820 0.116 0.000 2.350 65 A HA 0.340 4.656 4.320 -0.007 0.000 0.293 65 A C 0.086 177.705 177.584 0.058 0.000 1.231 65 A CA -0.424 51.654 52.037 0.069 0.000 0.883 65 A CB 0.138 19.162 19.000 0.040 0.000 1.133 65 A HN 0.992 nan 8.150 nan 0.000 0.533 66 L N 2.854 124.102 121.223 0.042 0.000 2.116 66 L HA 0.178 4.514 4.340 -0.007 0.000 0.200 66 L C 0.739 177.621 176.870 0.021 0.000 1.084 66 L CA 1.544 56.401 54.840 0.029 0.000 0.766 66 L CB -0.194 41.868 42.059 0.006 0.000 0.930 66 L HN 0.857 nan 8.230 nan 0.000 0.453 67 N N -0.303 118.405 118.700 0.014 0.000 2.392 67 N HA 0.451 5.187 4.740 -0.007 0.000 0.283 67 N C -1.495 174.019 175.510 0.007 0.000 1.003 67 N CA -0.369 52.686 53.050 0.009 0.000 0.892 67 N CB 1.022 39.511 38.487 0.004 0.000 1.193 67 N HN -0.056 nan 8.380 nan 0.000 0.487 68 L N 1.657 122.881 121.223 0.002 0.000 2.272 68 L HA 0.351 4.687 4.340 -0.007 0.000 0.284 68 L C 0.127 176.991 176.870 -0.009 0.000 1.045 68 L CA -0.101 54.735 54.840 -0.007 0.000 0.842 68 L CB 0.177 42.230 42.059 -0.011 0.000 1.224 68 L HN 0.607 nan 8.230 nan 0.000 0.430 69 E N 4.602 124.796 120.200 -0.009 0.000 2.212 69 E HA 0.393 4.739 4.350 -0.007 0.000 0.270 69 E C -2.197 174.395 176.600 -0.013 0.000 0.956 69 E CA -2.065 54.332 56.400 -0.005 0.000 0.825 69 E CB 1.026 30.729 29.700 0.005 0.000 1.167 69 E HN 0.280 nan 8.360 nan 0.000 0.400 70 P HA -0.007 nan 4.420 nan 0.000 0.262 70 P C 0.347 177.648 177.300 0.002 0.000 1.455 70 P CA 0.655 63.748 63.100 -0.011 0.000 1.217 70 P CB 0.061 31.759 31.700 -0.002 0.000 1.625 71 G N 2.710 111.499 108.800 -0.017 0.000 2.901 71 G HA2 -0.087 3.869 3.960 -0.007 0.000 0.194 71 G HA3 -0.087 3.869 3.960 -0.007 0.000 0.194 71 G C -0.248 174.672 174.900 0.033 0.000 1.020 71 G CA -0.043 45.076 45.100 0.033 0.000 0.787 71 G HN 0.646 nan 8.290 nan 0.000 0.477 72 Q N -0.528 119.275 119.800 0.005 0.000 2.522 72 Q HA 0.711 5.047 4.340 -0.007 0.000 0.285 72 Q C -1.666 174.331 176.000 -0.005 0.000 0.982 72 Q CA -1.124 54.692 55.803 0.021 0.000 0.805 72 Q CB 2.495 31.288 28.738 0.090 0.000 1.457 72 Q HN 0.437 nan 8.270 nan 0.000 0.394 73 V N 0.676 120.591 119.914 0.001 0.000 2.540 73 V HA 0.737 4.853 4.120 -0.007 0.000 0.302 73 V C 0.213 176.326 176.094 0.031 0.000 1.035 73 V CA -0.334 61.967 62.300 0.003 0.000 0.873 73 V CB 1.653 33.465 31.823 -0.018 0.000 0.992 73 V HN 0.865 nan 8.190 nan 0.000 0.428 74 G N 4.284 113.102 108.800 0.029 0.000 2.320 74 G HA2 0.627 4.583 3.960 -0.007 0.000 0.300 74 G HA3 0.627 4.583 3.960 -0.007 0.000 0.300 74 G C -0.960 173.970 174.900 0.050 0.000 1.126 74 G CA -0.154 44.968 45.100 0.038 0.000 0.896 74 G HN 0.481 nan 8.290 nan 0.000 0.436 75 I N 1.974 122.595 120.570 0.084 0.000 2.474 75 I HA 0.248 4.414 4.170 -0.007 0.000 0.294 75 I C 0.082 176.245 176.117 0.077 0.000 1.005 75 I CA -0.718 60.653 61.300 0.118 0.000 1.113 75 I CB 2.368 40.507 38.000 0.231 0.000 1.289 75 I HN 0.215 nan 8.210 nan 0.000 0.436 76 V N 6.558 126.480 119.914 0.012 0.000 2.461 76 V HA 0.309 4.425 4.120 -0.007 0.000 0.275 76 V C 0.182 176.172 176.094 -0.172 0.000 1.047 76 V CA -0.709 61.518 62.300 -0.123 0.000 0.955 76 V CB 0.793 32.476 31.823 -0.234 0.000 0.988 76 V HN 0.406 nan 8.190 nan 0.000 0.471 77 L N 5.090 126.216 121.223 -0.161 0.000 2.281 77 L HA 0.365 4.701 4.340 -0.007 0.000 0.285 77 L C 0.206 176.980 176.870 -0.160 0.000 1.074 77 L CA -0.155 54.615 54.840 -0.116 0.000 0.817 77 L CB 0.270 42.233 42.059 -0.158 0.000 1.168 77 L HN 0.558 nan 8.230 nan 0.000 0.434 78 F N 2.238 122.223 119.950 0.059 0.000 2.740 78 F HA 0.301 4.824 4.527 -0.007 0.000 0.294 78 F C 1.262 177.084 175.800 0.037 0.000 1.225 78 F CA -0.016 58.023 58.000 0.065 0.000 1.426 78 F CB 0.049 39.099 39.000 0.083 0.000 1.021 78 F HN 0.581 nan 8.300 nan 0.000 0.508 79 G N -1.363 107.497 108.800 0.100 0.000 2.554 79 G HA2 0.311 4.267 3.960 -0.007 0.000 0.306 79 G HA3 0.311 4.267 3.960 -0.007 0.000 0.306 79 G C -1.161 173.735 174.900 -0.006 0.000 1.320 79 G CA -0.747 44.386 45.100 0.056 0.000 0.800 79 G HN -0.051 nan 8.290 nan 0.000 0.481 80 S N -1.229 114.464 115.700 -0.012 0.000 2.576 80 S HA 0.180 4.646 4.470 -0.007 0.000 0.272 80 S C 0.898 175.458 174.600 -0.068 0.000 1.352 80 S CA 0.700 58.881 58.200 -0.031 0.000 1.021 80 S CB 0.546 63.735 63.200 -0.020 0.000 0.887 80 S HN 0.419 nan 8.310 nan 0.000 0.542 81 D N 1.330 121.688 120.400 -0.069 0.000 2.277 81 D HA 0.028 4.664 4.640 -0.007 0.000 0.208 81 D C 1.909 178.158 176.300 -0.085 0.000 0.962 81 D CA 0.531 54.475 54.000 -0.092 0.000 0.865 81 D CB -0.117 40.641 40.800 -0.071 0.000 0.939 81 D HN 0.560 nan 8.370 nan 0.000 0.510 82 R N 0.638 121.104 120.500 -0.057 0.000 2.152 82 R HA -0.045 4.291 4.340 -0.007 0.000 0.232 82 R C 1.501 177.771 176.300 -0.049 0.000 1.117 82 R CA 0.742 56.817 56.100 -0.043 0.000 0.981 82 R CB -0.192 30.092 30.300 -0.026 0.000 0.870 82 R HN 0.223 nan 8.270 nan 0.000 0.451 83 L N 0.771 121.955 121.223 -0.066 0.000 2.622 83 L HA 0.056 4.392 4.340 -0.007 0.000 0.233 83 L C -0.121 176.689 176.870 -0.101 0.000 1.156 83 L CA 0.041 54.843 54.840 -0.064 0.000 0.866 83 L CB 0.319 42.343 42.059 -0.058 0.000 0.980 83 L HN -0.044 nan 8.230 nan 0.000 0.448 84 V N -0.684 119.147 119.914 -0.139 0.000 2.735 84 V HA 0.381 4.497 4.120 -0.007 0.000 0.310 84 V C -0.154 175.902 176.094 -0.063 0.000 1.061 84 V CA -0.938 61.267 62.300 -0.159 0.000 0.913 84 V CB 2.417 34.014 31.823 -0.376 0.000 1.005 84 V HN 0.057 nan 8.190 nan 0.000 0.428 85 K N 1.118 121.516 120.400 -0.003 0.000 2.279 85 K HA 0.542 4.858 4.320 -0.007 0.000 0.238 85 K C -0.707 175.918 176.600 0.042 0.000 1.084 85 K CA -0.907 55.388 56.287 0.015 0.000 0.885 85 K CB 2.140 34.653 32.500 0.022 0.000 1.319 85 K HN 0.775 nan 8.250 nan 0.000 0.494 86 E N 0.304 120.525 120.200 0.034 0.000 2.194 86 E HA 0.224 4.570 4.350 -0.007 0.000 0.284 86 E C -0.202 176.426 176.600 0.046 0.000 1.035 86 E CA 0.034 56.459 56.400 0.042 0.000 0.836 86 E CB 0.412 30.126 29.700 0.023 0.000 1.070 86 E HN 0.735 nan 8.360 nan 0.000 0.401 87 G N 3.915 112.753 108.800 0.064 0.000 2.248 87 G HA2 -0.233 3.723 3.960 -0.007 0.000 0.252 87 G HA3 -0.233 3.723 3.960 -0.007 0.000 0.252 87 G C -0.272 174.671 174.900 0.071 0.000 1.085 87 G CA 0.096 45.231 45.100 0.058 0.000 0.845 87 G HN 0.590 nan 8.290 nan 0.000 0.494 88 E N -1.156 119.108 120.200 0.105 0.000 2.232 88 E HA 0.589 4.935 4.350 -0.007 0.000 0.265 88 E C 0.074 176.736 176.600 0.103 0.000 1.001 88 E CA -1.210 55.261 56.400 0.118 0.000 0.870 88 E CB 1.673 31.479 29.700 0.176 0.000 1.175 88 E HN 0.214 nan 8.360 nan 0.000 0.407 89 L N 2.131 123.402 121.223 0.081 0.000 2.360 89 L HA 0.149 4.485 4.340 -0.007 0.000 0.276 89 L C -1.138 175.728 176.870 -0.006 0.000 1.121 89 L CA 0.061 54.925 54.840 0.039 0.000 0.845 89 L CB 0.680 42.759 42.059 0.033 0.000 1.143 89 L HN 0.177 nan 8.230 nan 0.000 0.452 90 V N 5.962 125.828 119.914 -0.080 0.000 2.409 90 V HA 0.435 4.551 4.120 -0.007 0.000 0.290 90 V C 0.016 176.006 176.094 -0.174 0.000 1.017 90 V CA -0.875 61.278 62.300 -0.245 0.000 0.841 90 V CB 1.126 32.725 31.823 -0.373 0.000 1.003 90 V HN 0.706 nan 8.190 nan 0.000 0.426 91 K N 3.633 123.941 120.400 -0.153 0.000 2.098 91 K HA 0.637 4.953 4.320 -0.007 0.000 0.258 91 K C 0.194 176.734 176.600 -0.100 0.000 0.973 91 K CA -0.798 55.432 56.287 -0.094 0.000 0.898 91 K CB 2.002 34.470 32.500 -0.054 0.000 1.057 91 K HN 0.531 nan 8.250 nan 0.000 0.447 92 R N -0.115 120.345 120.500 -0.068 0.000 2.611 92 R HA 0.219 4.555 4.340 -0.007 0.000 0.243 92 R C 0.627 176.905 176.300 -0.037 0.000 1.260 92 R CA -0.029 56.039 56.100 -0.054 0.000 1.095 92 R CB 0.403 30.678 30.300 -0.042 0.000 1.259 92 R HN 0.625 nan 8.270 nan 0.000 0.575 93 T N -2.094 112.445 114.554 -0.025 0.000 3.211 93 T HA 0.176 4.522 4.350 -0.007 0.000 0.261 93 T C 0.859 175.551 174.700 -0.013 0.000 0.880 93 T CA 0.314 62.404 62.100 -0.017 0.000 0.903 93 T CB 0.929 69.789 68.868 -0.013 0.000 1.264 93 T HN 0.818 nan 8.240 nan 0.000 0.532 94 G N 2.194 110.987 108.800 -0.012 0.000 2.241 94 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.244 94 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.244 94 G C -0.087 174.811 174.900 -0.005 0.000 0.998 94 G CA -0.047 45.048 45.100 -0.009 0.000 0.621 94 G HN 0.474 nan 8.290 nan 0.000 0.519 95 N N 1.022 119.720 118.700 -0.004 0.000 2.430 95 N HA 0.581 5.317 4.740 -0.007 0.000 0.292 95 N C 0.548 176.061 175.510 0.004 0.000 1.051 95 N CA -0.641 52.408 53.050 -0.002 0.000 0.917 95 N CB 1.127 39.610 38.487 -0.006 0.000 1.164 95 N HN 0.148 nan 8.380 nan 0.000 0.484 96 I N 1.063 121.638 120.570 0.008 0.000 2.836 96 I HA 0.010 4.176 4.170 -0.007 0.000 0.285 96 I C 0.790 176.913 176.117 0.009 0.000 1.174 96 I CA -0.416 60.893 61.300 0.016 0.000 1.405 96 I CB 0.093 38.104 38.000 0.017 0.000 1.385 96 I HN 0.157 nan 8.210 nan 0.000 0.594 97 V N 5.759 125.684 119.914 0.018 0.000 2.644 97 V HA -0.122 3.994 4.120 -0.007 0.000 0.303 97 V C 0.243 176.324 176.094 -0.021 0.000 1.058 97 V CA 0.433 62.727 62.300 -0.010 0.000 1.228 97 V CB -0.861 30.968 31.823 0.010 0.000 0.861 97 V HN 0.890 nan 8.190 nan 0.000 0.484 98 D N 4.335 124.713 120.400 -0.037 0.000 2.493 98 D HA 0.747 5.383 4.640 -0.007 0.000 0.239 98 D C -0.658 175.620 176.300 -0.036 0.000 1.049 98 D CA -0.730 53.255 54.000 -0.024 0.000 1.008 98 D CB 2.256 43.047 40.800 -0.016 0.000 1.398 98 D HN 0.493 nan 8.370 nan 0.000 0.513 99 V N -4.337 115.565 119.914 -0.020 0.000 2.777 99 V HA 0.556 4.673 4.120 -0.007 0.000 0.306 99 V C -3.055 173.028 176.094 -0.018 0.000 1.112 99 V CA -2.156 60.130 62.300 -0.023 0.000 0.917 99 V CB 1.804 33.618 31.823 -0.014 0.000 1.018 99 V HN 0.363 nan 8.190 nan 0.000 0.426 100 P HA 0.287 nan 4.420 nan 0.000 0.265 100 P C -0.113 177.155 177.300 -0.053 0.000 1.222 100 P CA 0.326 63.401 63.100 -0.041 0.000 0.767 100 P CB 0.761 32.433 31.700 -0.047 0.000 0.801 101 V N 1.378 121.251 119.914 -0.068 0.000 3.103 101 V HA 1.034 5.150 4.120 -0.007 0.000 0.318 101 V C 0.370 176.277 176.094 -0.311 0.000 1.114 101 V CA -0.143 62.093 62.300 -0.107 0.000 1.020 101 V CB 1.473 33.295 31.823 -0.001 0.000 1.085 101 V HN 0.810 nan 8.190 nan 0.000 0.446 102 G N 1.323 109.762 108.800 -0.602 0.000 2.260 102 G HA2 0.207 4.163 3.960 -0.007 0.000 0.250 102 G HA3 0.207 4.163 3.960 -0.007 0.000 0.250 102 G C -2.962 171.222 174.900 -1.193 0.000 1.340 102 G CA 0.205 44.535 45.100 -1.283 0.000 1.056 102 G HN 0.613 nan 8.290 nan 0.000 0.471 103 P HA 0.201 nan 4.420 nan 0.000 0.232 103 P C 1.502 178.644 177.300 -0.264 0.000 1.170 103 P CA 1.349 64.077 63.100 -0.619 0.000 0.824 103 P CB 0.310 31.682 31.700 -0.547 0.000 0.896 104 G N -0.022 108.625 108.800 -0.256 0.000 3.318 104 G HA2 0.068 4.024 3.960 -0.007 0.000 0.230 104 G HA3 0.068 4.024 3.960 -0.007 0.000 0.230 104 G C 0.679 175.523 174.900 -0.094 0.000 1.317 104 G CA 0.201 45.219 45.100 -0.137 0.000 1.197 104 G HN 0.225 nan 8.290 nan 0.000 0.514 105 L N -1.123 120.055 121.223 -0.076 0.000 2.803 105 L HA 0.322 4.658 4.340 -0.007 0.000 0.246 105 L C 0.310 177.183 176.870 0.005 0.000 1.100 105 L CA -0.447 54.373 54.840 -0.033 0.000 0.919 105 L CB 0.218 42.259 42.059 -0.029 0.000 1.285 105 L HN 0.006 nan 8.230 nan 0.000 0.522 106 L N 1.884 123.126 121.223 0.032 0.000 2.660 106 L HA 0.158 4.494 4.340 -0.007 0.000 0.272 106 L C 1.235 178.124 176.870 0.031 0.000 1.194 106 L CA 1.411 56.290 54.840 0.065 0.000 0.945 106 L CB -0.520 41.622 42.059 0.138 0.000 1.212 106 L HN 0.327 nan 8.230 nan 0.000 0.490 107 G N 2.303 111.108 108.800 0.008 0.000 2.165 107 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.226 107 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.226 107 G C 0.072 174.967 174.900 -0.009 0.000 1.035 107 G CA -0.640 44.453 45.100 -0.011 0.000 0.744 107 G HN 0.403 nan 8.290 nan 0.000 0.501 108 R N -0.498 120.000 120.500 -0.005 0.000 2.575 108 R HA 0.564 4.900 4.340 -0.007 0.000 0.293 108 R C -0.454 175.847 176.300 0.003 0.000 0.983 108 R CA -0.772 55.325 56.100 -0.004 0.000 0.887 108 R CB 2.045 32.341 30.300 -0.007 0.000 1.184 108 R HN 0.219 nan 8.270 nan 0.000 0.445 109 V N 4.274 124.191 119.914 0.006 0.000 2.334 109 V HA 0.294 4.410 4.120 -0.007 0.000 0.267 109 V C 0.539 176.641 176.094 0.013 0.000 1.040 109 V CA -0.622 61.687 62.300 0.016 0.000 0.866 109 V CB 1.054 32.889 31.823 0.020 0.000 1.019 109 V HN 0.533 nan 8.190 nan 0.000 0.468 110 V N 1.788 121.709 119.914 0.012 0.000 3.103 110 V HA 0.826 4.942 4.120 -0.007 0.000 0.318 110 V C -0.200 175.900 176.094 0.011 0.000 1.114 110 V CA -0.917 61.387 62.300 0.006 0.000 1.020 110 V CB 2.075 33.896 31.823 -0.002 0.000 1.085 110 V HN 0.712 nan 8.190 nan 0.000 0.446 111 D N 0.932 121.336 120.400 0.008 0.000 2.511 111 D HA 0.571 5.207 4.640 -0.007 0.000 0.276 111 D C 1.194 177.498 176.300 0.007 0.000 1.220 111 D CA -0.012 53.996 54.000 0.014 0.000 1.077 111 D CB 0.833 41.645 40.800 0.020 0.000 1.126 111 D HN 0.749 nan 8.370 nan 0.000 0.583 112 A N -0.616 122.215 122.820 0.018 0.000 1.902 112 A HA -0.092 4.224 4.320 -0.007 0.000 0.217 112 A C 2.264 179.829 177.584 -0.031 0.000 1.181 112 A CA 1.139 53.184 52.037 0.013 0.000 0.623 112 A CB -1.070 17.966 19.000 0.059 0.000 0.818 112 A HN 0.534 nan 8.150 nan 0.000 0.443 113 L N -1.432 119.754 121.223 -0.062 0.000 2.610 113 L HA 0.109 4.445 4.340 -0.007 0.000 0.232 113 L C 1.868 178.693 176.870 -0.074 0.000 1.149 113 L CA 0.611 55.380 54.840 -0.119 0.000 0.872 113 L CB -0.166 41.799 42.059 -0.157 0.000 0.992 113 L HN 0.648 nan 8.230 nan 0.000 0.447 114 G N -0.992 107.783 108.800 -0.042 0.000 2.234 114 G HA2 -0.260 3.696 3.960 -0.007 0.000 0.235 114 G HA3 -0.260 3.696 3.960 -0.007 0.000 0.235 114 G C 0.242 175.126 174.900 -0.026 0.000 0.997 114 G CA -0.184 44.898 45.100 -0.031 0.000 0.623 114 G HN 0.355 nan 8.290 nan 0.000 0.514 115 N N 2.572 121.256 118.700 -0.027 0.000 2.454 115 N HA 0.400 5.136 4.740 -0.007 0.000 0.254 115 N C -2.515 172.989 175.510 -0.009 0.000 1.228 115 N CA -0.699 52.340 53.050 -0.018 0.000 0.900 115 N CB 0.509 38.987 38.487 -0.016 0.000 1.089 115 N HN 0.209 nan 8.380 nan 0.000 0.449 116 P HA 0.173 nan 4.420 nan 0.000 0.271 116 P C 0.582 177.883 177.300 0.002 0.000 1.218 116 P CA -0.023 63.075 63.100 -0.003 0.000 0.780 116 P CB 0.535 32.231 31.700 -0.006 0.000 0.901 117 I N -1.267 119.306 120.570 0.006 0.000 4.557 117 I HA 0.200 4.366 4.170 -0.007 0.000 0.333 117 I C 0.580 176.702 176.117 0.010 0.000 1.332 117 I CA -0.069 61.237 61.300 0.010 0.000 1.240 117 I CB 0.278 38.288 38.000 0.016 0.000 1.312 117 I HN 0.073 nan 8.210 nan 0.000 0.457 118 D N 2.028 122.432 120.400 0.006 0.000 2.355 118 D HA 0.075 4.711 4.640 -0.007 0.000 0.218 118 D C 1.602 177.904 176.300 0.002 0.000 1.004 118 D CA 0.837 54.840 54.000 0.005 0.000 0.880 118 D CB -0.050 40.751 40.800 0.002 0.000 0.911 118 D HN 0.512 nan 8.370 nan 0.000 0.528 119 G N 0.833 109.635 108.800 0.002 0.000 2.182 119 G HA2 -0.308 3.648 3.960 -0.007 0.000 0.248 119 G HA3 -0.308 3.648 3.960 -0.007 0.000 0.248 119 G C 0.208 175.107 174.900 -0.001 0.000 1.042 119 G CA 0.124 45.225 45.100 0.001 0.000 0.775 119 G HN 0.439 nan 8.290 nan 0.000 0.501 120 K N 0.682 121.080 120.400 -0.003 0.000 3.129 120 K HA 0.472 4.788 4.320 -0.007 0.000 0.224 120 K C 1.392 177.988 176.600 -0.006 0.000 1.249 120 K CA 0.051 56.335 56.287 -0.005 0.000 1.177 120 K CB 0.336 32.832 32.500 -0.006 0.000 1.393 120 K HN 1.264 nan 8.250 nan 0.000 0.459 121 G N 2.536 111.333 108.800 -0.005 0.000 2.682 121 G HA2 -0.269 3.687 3.960 -0.007 0.000 0.256 121 G HA3 -0.269 3.687 3.960 -0.007 0.000 0.256 121 G C -2.461 172.434 174.900 -0.009 0.000 1.333 121 G CA -1.024 44.072 45.100 -0.006 0.000 0.904 121 G HN 0.225 nan 8.290 nan 0.000 0.569 122 P HA 0.470 nan 4.420 nan 0.000 0.272 122 P C 0.241 177.529 177.300 -0.020 0.000 1.240 122 P CA -0.323 62.768 63.100 -0.015 0.000 0.791 122 P CB 0.328 32.019 31.700 -0.015 0.000 0.978 123 I N -1.945 118.609 120.570 -0.026 0.000 2.677 123 I HA 0.409 4.575 4.170 -0.007 0.000 0.305 123 I C 0.295 176.386 176.117 -0.043 0.000 0.988 123 I CA -0.696 60.584 61.300 -0.034 0.000 1.260 123 I CB 0.064 38.041 38.000 -0.039 0.000 1.410 123 I HN 0.056 nan 8.210 nan 0.000 0.523 124 D N 3.490 123.857 120.400 -0.054 0.000 2.483 124 D HA 0.467 5.103 4.640 -0.007 0.000 0.220 124 D C -0.452 175.792 176.300 -0.094 0.000 1.173 124 D CA -0.142 53.819 54.000 -0.066 0.000 0.964 124 D CB 0.136 40.896 40.800 -0.066 0.000 1.046 124 D HN 0.857 nan 8.370 nan 0.000 0.517 125 A N 2.881 125.653 122.820 -0.081 0.000 2.354 125 A HA 0.553 4.869 4.320 -0.007 0.000 0.281 125 A C 0.766 178.289 177.584 -0.102 0.000 1.174 125 A CA -0.270 51.710 52.037 -0.095 0.000 0.828 125 A CB 0.715 19.676 19.000 -0.065 0.000 1.099 125 A HN 0.575 nan 8.150 nan 0.000 0.516 126 A N 2.700 125.427 122.820 -0.154 0.000 2.640 126 A HA 0.591 4.907 4.320 -0.007 0.000 0.282 126 A C 0.912 178.458 177.584 -0.063 0.000 1.357 126 A CA 0.452 52.412 52.037 -0.128 0.000 0.946 126 A CB -0.965 17.902 19.000 -0.222 0.000 1.065 126 A HN 2.578 nan 8.150 nan 0.000 0.541 127 G N -0.322 108.449 108.800 -0.048 0.000 2.375 127 G HA2 0.173 4.129 3.960 -0.007 0.000 0.663 127 G HA3 0.173 4.129 3.960 -0.007 0.000 0.663 127 G C -1.067 173.827 174.900 -0.011 0.000 1.391 127 G CA -1.216 43.880 45.100 -0.007 0.000 0.949 127 G HN 0.452 nan 8.290 nan 0.000 0.646 128 R N 0.228 120.730 120.500 0.004 0.000 2.480 128 R HA 0.750 5.086 4.340 -0.007 0.000 0.306 128 R C -0.011 176.300 176.300 0.019 0.000 0.958 128 R CA -0.612 55.490 56.100 0.003 0.000 0.861 128 R CB 2.105 32.400 30.300 -0.008 0.000 1.171 128 R HN 0.613 nan 8.270 nan 0.000 0.445 129 S N 1.365 117.081 115.700 0.027 0.000 2.767 129 S HA 0.511 4.977 4.470 -0.007 0.000 0.300 129 S C -0.092 174.522 174.600 0.024 0.000 1.123 129 S CA -0.759 57.462 58.200 0.035 0.000 0.992 129 S CB 1.084 64.319 63.200 0.058 0.000 1.138 129 S HN 0.454 nan 8.310 nan 0.000 0.550 130 R N -0.067 120.449 120.500 0.026 0.000 2.543 130 R HA 0.529 4.866 4.340 -0.007 0.000 0.268 130 R C 1.085 177.400 176.300 0.025 0.000 1.067 130 R CA 0.118 56.230 56.100 0.019 0.000 1.142 130 R CB 0.534 30.844 30.300 0.018 0.000 1.110 130 R HN 0.715 nan 8.270 nan 0.000 0.549 131 A N 1.357 124.185 122.820 0.013 0.000 1.898 131 A HA -0.045 4.271 4.320 -0.007 0.000 0.214 131 A C 0.415 178.018 177.584 0.032 0.000 1.183 131 A CA 1.012 53.062 52.037 0.021 0.000 0.622 131 A CB 0.202 19.194 19.000 -0.013 0.000 0.824 131 A HN 0.487 nan 8.150 nan 0.000 0.444 132 Q N 0.602 120.392 119.800 -0.017 0.000 2.398 132 Q HA 0.466 4.802 4.340 -0.007 0.000 0.251 132 Q C -1.479 174.530 176.000 0.016 0.000 0.999 132 Q CA -0.039 55.745 55.803 -0.033 0.000 0.874 132 Q CB 1.491 30.161 28.738 -0.113 0.000 1.215 132 Q HN 0.148 nan 8.270 nan 0.000 0.470 133 V N 3.177 123.119 119.914 0.048 0.000 2.378 133 V HA 0.240 4.356 4.120 -0.007 0.000 0.288 133 V C 0.294 176.411 176.094 0.038 0.000 1.016 133 V CA -0.911 61.414 62.300 0.041 0.000 0.840 133 V CB 1.833 33.685 31.823 0.048 0.000 0.994 133 V HN 0.577 nan 8.190 nan 0.000 0.431 134 K N 3.692 124.112 120.400 0.033 0.000 2.484 134 K HA 0.374 4.690 4.320 -0.007 0.000 0.280 134 K C 0.520 177.137 176.600 0.028 0.000 1.013 134 K CA 0.011 56.319 56.287 0.034 0.000 1.029 134 K CB 0.576 33.100 32.500 0.040 0.000 0.902 134 K HN 0.873 nan 8.250 nan 0.000 0.481 135 A N 6.130 128.965 122.820 0.024 0.000 2.483 135 A HA 0.215 4.531 4.320 -0.007 0.000 0.238 135 A C -1.992 175.605 177.584 0.021 0.000 1.070 135 A CA -1.135 50.913 52.037 0.019 0.000 0.770 135 A CB -0.389 18.617 19.000 0.011 0.000 1.008 135 A HN 0.686 nan 8.150 nan 0.000 0.497 136 P HA 0.107 nan 4.420 nan 0.000 0.265 136 P C 0.715 178.026 177.300 0.018 0.000 1.187 136 P CA 0.515 63.623 63.100 0.014 0.000 0.766 136 P CB 0.300 32.006 31.700 0.009 0.000 0.820 137 G N 1.474 110.284 108.800 0.017 0.000 2.447 137 G HA2 0.091 4.047 3.960 -0.007 0.000 0.269 137 G HA3 0.091 4.047 3.960 -0.007 0.000 0.269 137 G C 1.180 176.091 174.900 0.019 0.000 1.455 137 G CA -0.528 44.584 45.100 0.020 0.000 1.061 137 G HN 0.467 nan 8.290 nan 0.000 0.545 138 I N -0.872 119.709 120.570 0.019 0.000 2.584 138 I HA 0.009 4.175 4.170 -0.007 0.000 0.255 138 I C 2.443 178.570 176.117 0.015 0.000 1.145 138 I CA 0.242 61.554 61.300 0.019 0.000 1.462 138 I CB -0.132 37.880 38.000 0.020 0.000 1.102 138 I HN 0.211 nan 8.210 nan 0.000 0.433 139 L N 2.244 123.475 121.223 0.012 0.000 2.049 139 L HA 0.040 4.376 4.340 -0.007 0.000 0.203 139 L C -0.753 176.122 176.870 0.007 0.000 1.074 139 L CA 1.970 56.815 54.840 0.009 0.000 0.749 139 L CB -1.504 40.559 42.059 0.007 0.000 0.907 139 L HN 0.062 nan 8.230 nan 0.000 0.439 140 P HA -0.018 nan 4.420 nan 0.000 0.251 140 P C -0.359 176.944 177.300 0.006 0.000 1.251 140 P CA 0.662 63.763 63.100 0.002 0.000 0.763 140 P CB -0.030 31.669 31.700 -0.000 0.000 1.067 141 R N -0.259 120.248 120.500 0.011 0.000 2.856 141 R HA 0.675 5.011 4.340 -0.007 0.000 0.258 141 R C 0.126 176.440 176.300 0.023 0.000 1.066 141 R CA -0.842 55.268 56.100 0.018 0.000 1.045 141 R CB 1.920 32.232 30.300 0.020 0.000 1.178 141 R HN -0.111 nan 8.270 nan 0.000 0.499 142 R N 0.096 120.618 120.500 0.035 0.000 2.651 142 R HA 0.199 4.535 4.340 -0.007 0.000 0.278 142 R C -1.063 175.277 176.300 0.066 0.000 1.010 142 R CA -0.396 55.732 56.100 0.046 0.000 0.896 142 R CB 2.253 32.588 30.300 0.058 0.000 1.211 142 R HN 0.639 nan 8.270 nan 0.000 0.456 143 S N 2.272 118.008 115.700 0.061 0.000 2.552 143 S HA 0.076 4.542 4.470 -0.007 0.000 0.289 143 S C 0.484 175.166 174.600 0.137 0.000 1.304 143 S CA -0.514 57.729 58.200 0.072 0.000 1.063 143 S CB 0.291 63.521 63.200 0.051 0.000 0.848 143 S HN 0.391 nan 8.310 nan 0.000 0.499 144 V N 4.959 124.938 119.914 0.108 0.000 2.843 144 V HA 0.393 4.509 4.120 -0.007 0.000 0.305 144 V C 1.034 177.227 176.094 0.165 0.000 1.065 144 V CA 0.510 62.873 62.300 0.105 0.000 1.116 144 V CB 0.699 32.539 31.823 0.029 0.000 0.968 144 V HN 1.118 nan 8.190 nan 0.000 0.487 145 H N 0.357 119.431 119.070 0.006 0.000 3.881 145 H HA 0.357 4.909 4.556 -0.007 0.000 0.256 145 H C 0.166 175.487 175.328 -0.011 0.000 1.069 145 H CA -0.121 55.928 56.048 0.001 0.000 1.145 145 H CB 0.225 29.991 29.762 0.006 0.000 1.445 145 H HN 0.672 nan 8.280 nan 0.000 0.700 146 E N 4.091 123.949 120.200 -0.570 0.000 2.259 146 E HA 0.315 4.661 4.350 -0.007 0.000 0.281 146 E C -2.556 173.904 176.600 -0.234 0.000 1.027 146 E CA -1.875 54.288 56.400 -0.396 0.000 0.838 146 E CB 1.626 31.042 29.700 -0.473 0.000 1.066 146 E HN 0.253 nan 8.360 nan 0.000 0.401 147 P HA 0.108 nan 4.420 nan 0.000 0.282 147 P C -0.953 176.211 177.300 -0.228 0.000 1.249 147 P CA -0.455 62.549 63.100 -0.159 0.000 0.806 147 P CB 0.888 32.519 31.700 -0.115 0.000 0.984 148 V N 3.633 123.430 119.914 -0.195 0.000 2.293 148 V HA 0.191 4.307 4.120 -0.007 0.000 0.275 148 V C 0.160 176.134 176.094 -0.201 0.000 1.021 148 V CA -0.395 61.761 62.300 -0.240 0.000 0.815 148 V CB 0.498 32.212 31.823 -0.181 0.000 1.025 148 V HN 0.476 nan 8.190 nan 0.000 0.448 149 Q N 2.076 121.715 119.800 -0.267 0.000 2.293 149 Q HA 0.190 4.526 4.340 -0.007 0.000 0.263 149 Q C 1.183 177.121 176.000 -0.104 0.000 1.002 149 Q CA 0.098 55.809 55.803 -0.153 0.000 0.910 149 Q CB 1.111 29.781 28.738 -0.113 0.000 1.185 149 Q HN 0.887 nan 8.270 nan 0.000 0.401 150 T N -1.321 113.207 114.554 -0.043 0.000 3.100 150 T HA 0.159 4.505 4.350 -0.007 0.000 0.253 150 T C 1.274 175.986 174.700 0.019 0.000 1.118 150 T CA 0.179 62.268 62.100 -0.018 0.000 1.058 150 T CB 0.084 68.942 68.868 -0.016 0.000 0.953 150 T HN 0.887 nan 8.240 nan 0.000 0.515 151 G N 1.261 110.088 108.800 0.044 0.000 2.225 151 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.267 151 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.267 151 G C -0.209 174.717 174.900 0.043 0.000 1.024 151 G CA 0.451 45.593 45.100 0.070 0.000 0.784 151 G HN 0.714 nan 8.290 nan 0.000 0.507 152 L N -0.797 120.443 121.223 0.029 0.000 2.372 152 L HA 0.489 4.825 4.340 -0.007 0.000 0.274 152 L C 1.545 178.430 176.870 0.025 0.000 0.988 152 L CA -1.042 53.810 54.840 0.020 0.000 0.833 152 L CB 0.799 42.862 42.059 0.006 0.000 1.236 152 L HN 0.130 nan 8.230 nan 0.000 0.410 153 K N 2.531 122.948 120.400 0.028 0.000 2.077 153 K HA -0.269 4.047 4.320 -0.007 0.000 0.213 153 K C 1.748 178.366 176.600 0.031 0.000 1.051 153 K CA 2.063 58.370 56.287 0.033 0.000 0.929 153 K CB -0.195 32.325 32.500 0.033 0.000 0.715 153 K HN 0.794 nan 8.250 nan 0.000 0.451 154 A N 0.945 123.781 122.820 0.027 0.000 1.855 154 A HA -0.119 4.197 4.320 -0.007 0.000 0.215 154 A C 2.460 180.062 177.584 0.030 0.000 1.191 154 A CA 1.633 53.688 52.037 0.030 0.000 0.613 154 A CB -0.686 18.330 19.000 0.028 0.000 0.829 154 A HN 0.084 nan 8.150 nan 0.000 0.442 155 V N 0.665 120.593 119.914 0.023 0.000 2.229 155 V HA -0.200 3.916 4.120 -0.007 0.000 0.243 155 V C 1.994 178.099 176.094 0.018 0.000 1.042 155 V CA 2.146 64.458 62.300 0.019 0.000 1.000 155 V CB -0.978 30.851 31.823 0.010 0.000 0.637 155 V HN 0.462 nan 8.190 nan 0.000 0.446 156 D N 0.107 120.516 120.400 0.016 0.000 2.354 156 D HA -0.072 4.564 4.640 -0.007 0.000 0.216 156 D C 1.760 178.073 176.300 0.022 0.000 0.970 156 D CA 1.423 55.432 54.000 0.014 0.000 0.905 156 D CB 0.019 40.830 40.800 0.017 0.000 0.903 156 D HN 0.500 nan 8.370 nan 0.000 0.508 157 A N -0.646 122.192 122.820 0.029 0.000 1.984 157 A HA 0.178 4.494 4.320 -0.007 0.000 0.203 157 A C 2.117 179.724 177.584 0.038 0.000 1.292 157 A CA -0.045 52.014 52.037 0.036 0.000 0.782 157 A CB -0.122 18.902 19.000 0.041 0.000 0.924 157 A HN 0.124 nan 8.150 nan 0.000 0.475 158 L N -0.042 121.205 121.223 0.040 0.000 2.168 158 L HA 0.080 4.416 4.340 -0.007 0.000 0.203 158 L C 0.318 177.213 176.870 0.041 0.000 1.078 158 L CA 0.862 55.729 54.840 0.046 0.000 0.780 158 L CB 0.123 42.214 42.059 0.052 0.000 0.939 158 L HN 0.286 nan 8.230 nan 0.000 0.451 159 V N -2.331 117.603 119.914 0.033 0.000 2.383 159 V HA 0.415 4.531 4.120 -0.007 0.000 0.264 159 V C -2.675 173.429 176.094 0.016 0.000 1.001 159 V CA -1.994 60.323 62.300 0.028 0.000 0.828 159 V CB 0.261 32.103 31.823 0.033 0.000 1.069 159 V HN -0.077 nan 8.190 nan 0.000 0.451 160 P HA 0.248 nan 4.420 nan 0.000 0.268 160 P C -0.383 176.910 177.300 -0.011 0.000 1.204 160 P CA 0.254 63.353 63.100 -0.001 0.000 0.768 160 P CB 1.286 32.987 31.700 0.002 0.000 0.842 161 I N 2.302 122.855 120.570 -0.029 0.000 2.428 161 I HA 0.430 4.596 4.170 -0.007 0.000 0.296 161 I C 1.210 177.291 176.117 -0.059 0.000 0.985 161 I CA -0.267 61.009 61.300 -0.039 0.000 1.260 161 I CB 0.999 38.970 38.000 -0.049 0.000 1.389 161 I HN 0.374 nan 8.210 nan 0.000 0.484 162 G N 5.173 113.942 108.800 -0.052 0.000 2.432 162 G HA2 0.507 4.463 3.960 -0.007 0.000 0.331 162 G HA3 0.507 4.463 3.960 -0.007 0.000 0.331 162 G C -0.382 174.473 174.900 -0.074 0.000 1.170 162 G CA -0.852 44.207 45.100 -0.068 0.000 0.943 162 G HN 0.504 nan 8.290 nan 0.000 0.483 163 R N 0.649 121.086 120.500 -0.105 0.000 2.291 163 R HA 0.396 4.732 4.340 -0.007 0.000 0.333 163 R C 0.991 177.281 176.300 -0.016 0.000 1.082 163 R CA 0.873 56.931 56.100 -0.070 0.000 0.948 163 R CB 0.579 30.816 30.300 -0.104 0.000 1.009 163 R HN 1.098 nan 8.270 nan 0.000 0.460 164 G N 1.836 110.638 108.800 0.004 0.000 2.154 164 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.186 164 G HA3 -0.243 3.713 3.960 -0.007 0.000 0.186 164 G C 0.032 174.937 174.900 0.008 0.000 1.000 164 G CA -0.326 44.783 45.100 0.015 0.000 0.664 164 G HN 0.557 nan 8.290 nan 0.000 0.513 165 Q N -0.371 119.428 119.800 -0.002 0.000 2.169 165 Q HA 0.777 5.113 4.340 -0.007 0.000 0.234 165 Q C -0.178 175.824 176.000 0.004 0.000 0.980 165 Q CA -0.972 54.832 55.803 0.001 0.000 0.941 165 Q CB 0.834 29.568 28.738 -0.006 0.000 1.199 165 Q HN 0.347 nan 8.270 nan 0.000 0.496 166 R N 1.634 122.138 120.500 0.007 0.000 2.435 166 R HA 0.283 4.619 4.340 -0.007 0.000 0.308 166 R C -1.531 174.776 176.300 0.013 0.000 0.975 166 R CA -0.540 55.567 56.100 0.012 0.000 0.867 166 R CB 1.642 31.947 30.300 0.009 0.000 1.171 166 R HN 0.404 nan 8.270 nan 0.000 0.470 167 E N 2.948 123.157 120.200 0.015 0.000 2.185 167 E HA 0.216 4.562 4.350 -0.007 0.000 0.261 167 E C -1.445 175.170 176.600 0.026 0.000 0.879 167 E CA -0.929 55.482 56.400 0.018 0.000 0.756 167 E CB 1.131 30.839 29.700 0.013 0.000 1.152 167 E HN 0.316 nan 8.360 nan 0.000 0.416 168 L N 5.659 126.899 121.223 0.029 0.000 2.367 168 L HA 0.398 4.734 4.340 -0.007 0.000 0.275 168 L C -0.621 176.276 176.870 0.044 0.000 1.129 168 L CA 0.285 55.147 54.840 0.035 0.000 0.839 168 L CB 0.490 42.567 42.059 0.030 0.000 1.133 168 L HN 0.679 nan 8.230 nan 0.000 0.453 169 I N 7.373 127.967 120.570 0.040 0.000 2.317 169 I HA 0.276 4.442 4.170 -0.007 0.000 0.286 169 I C -0.107 176.030 176.117 0.034 0.000 1.119 169 I CA -0.070 61.249 61.300 0.032 0.000 1.228 169 I CB 0.242 38.254 38.000 0.020 0.000 1.476 169 I HN 0.534 nan 8.210 nan 0.000 0.514 170 I N 4.583 125.194 120.570 0.069 0.000 2.359 170 I HA 0.803 4.969 4.170 -0.007 0.000 0.294 170 I C 0.173 176.325 176.117 0.059 0.000 0.987 170 I CA 0.148 61.513 61.300 0.107 0.000 1.225 170 I CB 1.261 39.374 38.000 0.188 0.000 1.366 170 I HN 0.566 nan 8.210 nan 0.000 0.466 171 G N 5.604 114.400 108.800 -0.006 0.000 2.506 171 G HA2 0.191 4.147 3.960 -0.007 0.000 0.292 171 G HA3 0.191 4.147 3.960 -0.007 0.000 0.292 171 G C -1.805 173.046 174.900 -0.083 0.000 1.425 171 G CA -0.685 44.309 45.100 -0.176 0.000 0.788 171 G HN 0.488 nan 8.290 nan 0.000 0.490 172 D N -0.184 120.142 120.400 -0.124 0.000 2.377 172 D HA 0.234 4.870 4.640 -0.007 0.000 0.245 172 D C 0.883 177.121 176.300 -0.104 0.000 1.196 172 D CA -0.144 53.814 54.000 -0.070 0.000 0.962 172 D CB 0.961 41.725 40.800 -0.059 0.000 1.127 172 D HN 0.510 nan 8.370 nan 0.000 0.471 173 R N 0.804 121.264 120.500 -0.067 0.000 2.502 173 R HA -0.081 4.255 4.340 -0.007 0.000 0.292 173 R C -0.293 175.932 176.300 -0.126 0.000 0.998 173 R CA 0.319 56.377 56.100 -0.070 0.000 1.056 173 R CB -0.009 30.272 30.300 -0.031 0.000 0.939 173 R HN 0.386 nan 8.270 nan 0.000 0.411 174 Q N 2.194 121.906 119.800 -0.147 0.000 2.449 174 Q HA -0.152 4.184 4.340 -0.007 0.000 0.351 174 Q C -0.392 175.299 176.000 -0.515 0.000 1.456 174 Q CA 1.235 56.905 55.803 -0.220 0.000 0.951 174 Q CB -1.143 27.525 28.738 -0.116 0.000 1.153 174 Q HN 0.977 nan 8.270 nan 0.000 0.341 175 T N -4.209 109.987 114.554 -0.597 0.000 3.192 175 T HA 0.458 4.804 4.350 -0.007 0.000 0.295 175 T C 0.903 175.200 174.700 -0.671 0.000 0.947 175 T CA 0.471 61.982 62.100 -0.982 0.000 0.916 175 T CB 1.178 69.720 68.868 -0.543 0.000 1.169 175 T HN 1.068 nan 8.240 nan 0.000 0.540 176 G N 2.164 110.743 108.800 -0.368 0.000 2.142 176 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.225 176 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.225 176 G C 0.721 175.571 174.900 -0.084 0.000 1.015 176 G CA 0.394 45.428 45.100 -0.110 0.000 0.716 176 G HN 0.544 nan 8.290 nan 0.000 0.508 177 K N -0.567 119.770 120.400 -0.104 0.000 2.002 177 K HA -0.063 4.253 4.320 -0.007 0.000 0.209 177 K C 2.534 179.124 176.600 -0.016 0.000 1.048 177 K CA 1.879 58.130 56.287 -0.059 0.000 0.930 177 K CB -0.286 32.181 32.500 -0.055 0.000 0.714 177 K HN 0.361 nan 8.250 nan 0.000 0.438 178 T N 1.037 115.589 114.554 -0.002 0.000 2.951 178 T HA -0.033 4.313 4.350 -0.007 0.000 0.268 178 T C 1.970 176.667 174.700 -0.005 0.000 1.073 178 T CA 0.986 63.108 62.100 0.037 0.000 1.134 178 T CB -0.114 68.793 68.868 0.066 0.000 0.884 178 T HN 0.283 nan 8.240 nan 0.000 0.479 179 A N 1.285 124.085 122.820 -0.034 0.000 1.877 179 A HA -0.030 4.286 4.320 -0.007 0.000 0.216 179 A C 2.561 180.091 177.584 -0.090 0.000 1.186 179 A CA 1.232 53.220 52.037 -0.080 0.000 0.620 179 A CB -1.069 17.883 19.000 -0.080 0.000 0.822 179 A HN 0.337 nan 8.150 nan 0.000 0.443 180 V N -0.141 119.741 119.914 -0.054 0.000 2.343 180 V HA -0.255 3.861 4.120 -0.007 0.000 0.247 180 V C 3.016 179.091 176.094 -0.032 0.000 1.051 180 V CA 1.995 64.269 62.300 -0.043 0.000 1.036 180 V CB -1.100 30.709 31.823 -0.024 0.000 0.654 180 V HN 0.622 nan 8.190 nan 0.000 0.451 181 A N -0.502 122.311 122.820 -0.012 0.000 1.968 181 A HA -0.131 4.185 4.320 -0.007 0.000 0.217 181 A C 2.113 179.690 177.584 -0.011 0.000 1.169 181 A CA 1.689 53.731 52.037 0.009 0.000 0.638 181 A CB -0.462 18.572 19.000 0.057 0.000 0.812 181 A HN 0.449 nan 8.150 nan 0.000 0.446 182 L N 0.226 121.423 121.223 -0.044 0.000 2.046 182 L HA -0.153 4.183 4.340 -0.007 0.000 0.208 182 L C 1.478 178.317 176.870 -0.052 0.000 1.077 182 L CA 2.505 57.299 54.840 -0.076 0.000 0.747 182 L CB -0.621 41.389 42.059 -0.081 0.000 0.896 182 L HN 0.322 nan 8.230 nan 0.000 0.432 183 D N -1.242 119.118 120.400 -0.066 0.000 2.144 183 D HA -0.138 4.498 4.640 -0.007 0.000 0.200 183 D C 2.088 178.384 176.300 -0.006 0.000 0.978 183 D CA 1.604 55.574 54.000 -0.049 0.000 0.833 183 D CB -0.376 40.373 40.800 -0.085 0.000 0.961 183 D HN 0.351 nan 8.370 nan 0.000 0.470 184 T N 1.092 115.641 114.554 -0.009 0.000 2.720 184 T HA -0.110 4.236 4.350 -0.007 0.000 0.268 184 T C 2.175 176.891 174.700 0.026 0.000 1.037 184 T CA 0.724 62.824 62.100 0.000 0.000 1.144 184 T CB -0.249 68.611 68.868 -0.013 0.000 0.864 184 T HN 0.191 nan 8.240 nan 0.000 0.444 185 I N 0.646 121.237 120.570 0.035 0.000 2.286 185 I HA -0.118 4.048 4.170 -0.007 0.000 0.248 185 I C 2.233 178.451 176.117 0.170 0.000 1.115 185 I CA 1.104 62.461 61.300 0.094 0.000 1.392 185 I CB -0.434 37.589 38.000 0.038 0.000 1.065 185 I HN 0.205 nan 8.210 nan 0.000 0.418 186 L N 0.341 121.621 121.223 0.095 0.000 2.093 186 L HA -0.193 4.143 4.340 -0.007 0.000 0.208 186 L C 2.178 179.151 176.870 0.171 0.000 1.085 186 L CA 1.332 56.242 54.840 0.117 0.000 0.755 186 L CB -0.692 41.369 42.059 0.003 0.000 0.904 186 L HN 0.301 nan 8.230 nan 0.000 0.435 187 N N -0.336 118.443 118.700 0.133 0.000 2.520 187 N HA -0.159 4.577 4.740 -0.007 0.000 0.185 187 N C 1.637 177.294 175.510 0.245 0.000 1.068 187 N CA 0.593 53.745 53.050 0.170 0.000 0.911 187 N CB 0.156 38.725 38.487 0.137 0.000 0.961 187 N HN 0.204 nan 8.380 nan 0.000 0.446 188 Q N -0.072 119.814 119.800 0.143 0.000 2.482 188 Q HA -0.022 4.314 4.340 -0.007 0.000 0.209 188 Q C 1.364 177.283 176.000 -0.134 0.000 0.961 188 Q CA 0.325 56.129 55.803 0.001 0.000 0.945 188 Q CB 0.043 28.670 28.738 -0.185 0.000 1.012 188 Q HN 0.484 nan 8.270 nan 0.000 0.515 189 K N 0.979 121.412 120.400 0.056 0.000 2.148 189 K HA -0.074 4.242 4.320 -0.007 0.000 0.204 189 K C 1.821 178.411 176.600 -0.017 0.000 1.050 189 K CA 0.637 56.958 56.287 0.056 0.000 0.942 189 K CB 0.240 32.861 32.500 0.201 0.000 0.724 189 K HN 0.095 nan 8.250 nan 0.000 0.446 190 R N -0.316 120.168 120.500 -0.026 0.000 2.080 190 R HA -0.145 4.191 4.340 -0.007 0.000 0.236 190 R C 2.200 178.304 176.300 -0.327 0.000 1.137 190 R CA 1.892 57.798 56.100 -0.322 0.000 0.943 190 R CB -0.313 29.468 30.300 -0.865 0.000 0.846 190 R HN 0.411 nan 8.270 nan 0.000 0.431 191 W N 0.691 121.892 121.300 -0.165 0.000 2.518 191 W HA 0.034 4.690 4.660 -0.007 0.000 0.273 191 W C 1.213 177.612 176.519 -0.200 0.000 1.247 191 W CA -0.006 57.238 57.345 -0.168 0.000 1.288 191 W CB -0.327 29.023 29.460 -0.183 0.000 1.107 191 W HN 0.148 nan 8.180 nan 0.000 0.586 192 N N 0.854 119.512 118.700 -0.069 0.000 2.521 192 N HA -0.090 4.646 4.740 -0.007 0.000 0.188 192 N C 0.952 176.422 175.510 -0.066 0.000 1.146 192 N CA 0.651 53.589 53.050 -0.187 0.000 0.893 192 N CB -0.413 37.762 38.487 -0.519 0.000 0.975 192 N HN 0.186 nan 8.380 nan 0.000 0.451 193 N N 0.078 118.750 118.700 -0.046 0.000 2.368 193 N HA 0.020 4.756 4.740 -0.007 0.000 0.176 193 N C 1.315 176.816 175.510 -0.014 0.000 1.021 193 N CA 0.377 53.417 53.050 -0.017 0.000 0.888 193 N CB -0.170 38.296 38.487 -0.034 0.000 0.995 193 N HN 0.156 nan 8.380 nan 0.000 0.437 194 G N -0.432 108.352 108.800 -0.027 0.000 2.485 194 G HA2 0.192 4.148 3.960 -0.007 0.000 0.260 194 G HA3 0.192 4.148 3.960 -0.007 0.000 0.260 194 G C 0.469 175.379 174.900 0.016 0.000 1.459 194 G CA -0.104 44.989 45.100 -0.013 0.000 1.060 194 G HN 0.170 nan 8.290 nan 0.000 0.546 195 S N -0.671 115.044 115.700 0.026 0.000 2.666 195 S HA 0.149 4.615 4.470 -0.007 0.000 0.239 195 S C 0.041 174.675 174.600 0.058 0.000 1.031 195 S CA -0.305 57.922 58.200 0.045 0.000 1.015 195 S CB 0.373 63.597 63.200 0.040 0.000 0.981 195 S HN 0.537 nan 8.310 nan 0.000 0.547 196 D N 2.815 123.248 120.400 0.055 0.000 2.348 196 D HA 0.085 4.721 4.640 -0.007 0.000 0.259 196 D C 0.895 177.249 176.300 0.090 0.000 1.296 196 D CA 0.176 54.218 54.000 0.071 0.000 0.931 196 D CB 0.529 41.374 40.800 0.074 0.000 1.067 196 D HN 0.083 nan 8.370 nan 0.000 0.503 197 E N 1.264 121.528 120.200 0.106 0.000 2.418 197 E HA -0.102 4.244 4.350 -0.007 0.000 0.197 197 E C 1.609 178.316 176.600 0.177 0.000 1.026 197 E CA 0.336 56.824 56.400 0.147 0.000 0.862 197 E CB 0.185 29.979 29.700 0.158 0.000 0.799 197 E HN 0.506 nan 8.360 nan 0.000 0.518 198 S N -0.064 115.721 115.700 0.142 0.000 2.527 198 S HA 0.067 4.533 4.470 -0.007 0.000 0.222 198 S C 1.542 176.162 174.600 0.033 0.000 0.985 198 S CA 0.252 58.547 58.200 0.159 0.000 0.921 198 S CB 0.244 63.515 63.200 0.119 0.000 0.772 198 S HN -0.023 nan 8.310 nan 0.000 0.529 199 K N 0.893 121.305 120.400 0.020 0.000 2.380 199 K HA 0.312 4.628 4.320 -0.007 0.000 0.198 199 K C -0.007 176.515 176.600 -0.130 0.000 1.070 199 K CA 0.042 56.284 56.287 -0.075 0.000 1.040 199 K CB 0.264 32.881 32.500 0.195 0.000 0.903 199 K HN 0.351 nan 8.250 nan 0.000 0.549 200 K N 1.590 121.961 120.400 -0.049 0.000 2.412 200 K HA 0.049 4.365 4.320 -0.007 0.000 0.281 200 K C -0.447 176.013 176.600 -0.233 0.000 1.027 200 K CA -0.120 56.066 56.287 -0.168 0.000 0.989 200 K CB 0.413 32.794 32.500 -0.200 0.000 0.935 200 K HN -0.164 nan 8.250 nan 0.000 0.475 201 L N 5.881 126.896 121.223 -0.347 0.000 2.401 201 L HA 0.265 4.601 4.340 -0.007 0.000 0.263 201 L C -1.359 175.369 176.870 -0.237 0.000 1.004 201 L CA -0.510 54.188 54.840 -0.237 0.000 0.881 201 L CB 0.208 42.104 42.059 -0.271 0.000 1.219 201 L HN 0.416 nan 8.230 nan 0.000 0.441 202 Y N 2.522 122.789 120.300 -0.056 0.000 2.457 202 Y HA 0.270 4.816 4.550 -0.007 0.000 0.341 202 Y C 0.889 176.728 175.900 -0.101 0.000 1.240 202 Y CA 0.225 58.270 58.100 -0.091 0.000 1.437 202 Y CB 0.521 38.744 38.460 -0.395 0.000 1.328 202 Y HN 0.473 nan 8.280 nan 0.000 0.588 203 C N 2.129 121.514 119.300 0.142 0.000 2.435 203 C HA 0.747 5.203 4.460 -0.007 0.000 0.333 203 C C -0.556 174.428 174.990 -0.009 0.000 1.202 203 C CA -0.998 58.058 59.018 0.062 0.000 1.830 203 C CB 0.978 28.794 27.740 0.125 0.000 2.326 203 C HN 0.548 nan 8.230 nan 0.000 0.507 204 V N 3.148 123.039 119.914 -0.038 0.000 2.462 204 V HA 0.253 4.369 4.120 -0.007 0.000 0.288 204 V C -1.081 174.987 176.094 -0.043 0.000 1.020 204 V CA -0.544 61.722 62.300 -0.058 0.000 0.857 204 V CB 0.744 32.495 31.823 -0.120 0.000 1.013 204 V HN 0.792 nan 8.190 nan 0.000 0.431 205 Y N 5.101 125.334 120.300 -0.112 0.000 2.326 205 Y HA 0.691 5.237 4.550 -0.007 0.000 0.337 205 Y C -0.265 175.577 175.900 -0.096 0.000 1.023 205 Y CA -0.639 57.396 58.100 -0.107 0.000 1.143 205 Y CB 1.664 40.084 38.460 -0.066 0.000 1.183 205 Y HN 0.431 nan 8.280 nan 0.000 0.485 206 V N 5.821 125.302 119.914 -0.723 0.000 2.398 206 V HA 0.712 4.828 4.120 -0.007 0.000 0.286 206 V C -0.241 175.438 176.094 -0.692 0.000 1.026 206 V CA -0.763 61.227 62.300 -0.517 0.000 0.868 206 V CB 1.034 32.686 31.823 -0.284 0.000 0.982 206 V HN 0.925 nan 8.190 nan 0.000 0.443 207 A N 5.074 127.674 122.820 -0.365 0.000 2.316 207 A HA 0.761 5.077 4.320 -0.007 0.000 0.324 207 A C -0.623 176.923 177.584 -0.063 0.000 1.375 207 A CA -0.436 51.484 52.037 -0.194 0.000 0.882 207 A CB 0.713 19.717 19.000 0.007 0.000 1.152 207 A HN 0.683 nan 8.150 nan 0.000 0.512 208 V N 2.053 121.940 119.914 -0.044 0.000 2.384 208 V HA 0.631 4.747 4.120 -0.007 0.000 0.287 208 V C 1.312 177.428 176.094 0.036 0.000 1.020 208 V CA 0.490 62.797 62.300 0.010 0.000 0.850 208 V CB 0.791 32.623 31.823 0.015 0.000 0.987 208 V HN 1.727 nan 8.190 nan 0.000 0.436 209 G N 3.604 112.435 108.800 0.052 0.000 2.175 209 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.265 209 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.265 209 G C 0.299 175.231 174.900 0.053 0.000 0.979 209 G CA 0.588 45.723 45.100 0.058 0.000 0.663 209 G HN 0.658 nan 8.290 nan 0.000 0.533 210 Q N -0.121 119.710 119.800 0.052 0.000 2.396 210 Q HA 0.404 4.740 4.340 -0.007 0.000 0.221 210 Q C 0.506 176.539 176.000 0.055 0.000 1.025 210 Q CA -0.252 55.585 55.803 0.057 0.000 0.946 210 Q CB 0.599 29.381 28.738 0.074 0.000 1.224 210 Q HN 0.373 nan 8.270 nan 0.000 0.539 211 K N 1.164 121.596 120.400 0.053 0.000 2.350 211 K HA 0.014 4.330 4.320 -0.007 0.000 0.279 211 K C 0.876 177.506 176.600 0.050 0.000 1.027 211 K CA 0.049 56.364 56.287 0.047 0.000 0.969 211 K CB 0.633 33.158 32.500 0.042 0.000 0.954 211 K HN 0.463 nan 8.250 nan 0.000 0.474 212 R N 1.477 122.003 120.500 0.044 0.000 2.105 212 R HA -0.189 4.147 4.340 -0.007 0.000 0.239 212 R C 2.156 178.480 176.300 0.041 0.000 1.135 212 R CA 2.216 58.342 56.100 0.043 0.000 0.967 212 R CB -0.024 30.298 30.300 0.036 0.000 0.861 212 R HN 0.818 nan 8.270 nan 0.000 0.442 213 S N -1.082 114.640 115.700 0.036 0.000 2.355 213 S HA -0.111 4.355 4.470 -0.007 0.000 0.222 213 S C 1.923 176.545 174.600 0.036 0.000 1.031 213 S CA 1.568 59.787 58.200 0.032 0.000 0.993 213 S CB -0.613 62.604 63.200 0.028 0.000 0.859 213 S HN 0.262 nan 8.310 nan 0.000 0.453 214 T N 2.343 116.923 114.554 0.043 0.000 2.737 214 T HA -0.067 4.279 4.350 -0.007 0.000 0.269 214 T C 1.850 176.581 174.700 0.052 0.000 1.040 214 T CA 1.596 63.724 62.100 0.048 0.000 1.142 214 T CB -0.617 68.284 68.868 0.056 0.000 0.861 214 T HN 0.315 nan 8.240 nan 0.000 0.456 215 V N 1.338 121.291 119.914 0.066 0.000 2.488 215 V HA -0.023 4.093 4.120 -0.007 0.000 0.246 215 V C 2.860 178.979 176.094 0.043 0.000 1.046 215 V CA 1.278 63.626 62.300 0.080 0.000 1.053 215 V CB -1.136 30.755 31.823 0.114 0.000 0.679 215 V HN 0.507 nan 8.190 nan 0.000 0.458 216 A N -0.271 122.571 122.820 0.035 0.000 1.978 216 A HA -0.282 4.034 4.320 -0.007 0.000 0.220 216 A C 2.170 179.759 177.584 0.009 0.000 1.170 216 A CA 1.928 53.977 52.037 0.021 0.000 0.636 216 A CB -0.393 18.619 19.000 0.020 0.000 0.810 216 A HN 0.659 nan 8.150 nan 0.000 0.448 217 Q N -1.001 118.806 119.800 0.011 0.000 2.245 217 Q HA 0.105 4.441 4.340 -0.007 0.000 0.201 217 Q C 2.058 178.053 176.000 -0.009 0.000 0.955 217 Q CA 0.871 56.676 55.803 0.004 0.000 0.870 217 Q CB -0.192 28.554 28.738 0.014 0.000 0.945 217 Q HN 0.693 nan 8.270 nan 0.000 0.461 218 L N 0.297 121.510 121.223 -0.017 0.000 2.056 218 L HA -0.166 4.170 4.340 -0.007 0.000 0.207 218 L C 2.137 178.957 176.870 -0.083 0.000 1.078 218 L CA 0.812 55.613 54.840 -0.065 0.000 0.749 218 L CB -0.074 41.919 42.059 -0.109 0.000 0.901 218 L HN 0.042 nan 8.230 nan 0.000 0.433 219 V N -0.267 119.615 119.914 -0.053 0.000 2.343 219 V HA -0.326 3.790 4.120 -0.007 0.000 0.247 219 V C 2.466 178.534 176.094 -0.043 0.000 1.051 219 V CA 1.981 64.252 62.300 -0.049 0.000 1.036 219 V CB -0.548 31.263 31.823 -0.021 0.000 0.654 219 V HN 0.554 nan 8.190 nan 0.000 0.451 220 Q N 0.376 120.158 119.800 -0.031 0.000 2.181 220 Q HA -0.188 4.148 4.340 -0.007 0.000 0.205 220 Q C 2.015 177.998 176.000 -0.029 0.000 0.980 220 Q CA 2.435 58.221 55.803 -0.028 0.000 0.862 220 Q CB -0.627 28.098 28.738 -0.022 0.000 0.905 220 Q HN 0.670 nan 8.270 nan 0.000 0.429 221 T N 0.132 114.668 114.554 -0.029 0.000 2.951 221 T HA 0.020 4.367 4.350 -0.007 0.000 0.268 221 T C 1.489 176.207 174.700 0.030 0.000 1.073 221 T CA 0.848 62.943 62.100 -0.008 0.000 1.134 221 T CB -0.022 68.824 68.868 -0.036 0.000 0.884 221 T HN 0.231 nan 8.240 nan 0.000 0.479 222 L N 0.439 121.644 121.223 -0.031 0.000 2.341 222 L HA 0.107 4.443 4.340 -0.007 0.000 0.214 222 L C 2.502 179.346 176.870 -0.043 0.000 1.115 222 L CA 0.964 55.772 54.840 -0.054 0.000 0.820 222 L CB -0.324 41.667 42.059 -0.115 0.000 0.944 222 L HN 0.279 nan 8.230 nan 0.000 0.452 223 E N -0.322 119.857 120.200 -0.036 0.000 2.230 223 E HA -0.189 4.157 4.350 -0.007 0.000 0.192 223 E C 1.909 178.487 176.600 -0.038 0.000 0.987 223 E CA 0.343 56.720 56.400 -0.039 0.000 0.841 223 E CB 0.159 29.837 29.700 -0.038 0.000 0.783 223 E HN 0.439 nan 8.360 nan 0.000 0.481 224 Q N -0.099 119.681 119.800 -0.033 0.000 2.311 224 Q HA -0.104 4.232 4.340 -0.007 0.000 0.203 224 Q C 0.728 176.601 176.000 -0.211 0.000 0.954 224 Q CA 0.984 56.724 55.803 -0.106 0.000 0.885 224 Q CB 0.237 28.908 28.738 -0.112 0.000 0.963 224 Q HN 0.328 nan 8.270 nan 0.000 0.471 225 H N -1.048 117.979 119.070 -0.072 0.000 2.755 225 H HA 0.116 4.668 4.556 -0.007 0.000 0.273 225 H C -0.549 174.768 175.328 -0.018 0.000 1.055 225 H CA 0.394 56.418 56.048 -0.039 0.000 1.191 225 H CB 0.829 30.576 29.762 -0.025 0.000 1.536 225 H HN 0.197 nan 8.280 nan 0.000 0.529 226 D N -0.056 120.367 120.400 0.039 0.000 2.870 226 D HA -0.198 4.438 4.640 -0.007 0.000 0.228 226 D C 0.922 177.207 176.300 -0.024 0.000 1.147 226 D CA 0.739 54.744 54.000 0.009 0.000 0.757 226 D CB -1.145 39.675 40.800 0.032 0.000 1.091 226 D HN 0.509 nan 8.370 nan 0.000 0.429 227 A N -0.728 122.016 122.820 -0.126 0.000 2.220 227 A HA 0.175 4.491 4.320 -0.007 0.000 0.211 227 A C 1.907 179.047 177.584 -0.739 0.000 1.176 227 A CA 0.888 52.611 52.037 -0.524 0.000 0.834 227 A CB -0.082 18.770 19.000 -0.247 0.000 0.868 227 A HN 0.302 nan 8.150 nan 0.000 0.488 228 M N 1.103 120.500 119.600 -0.339 0.000 2.374 228 M HA -0.107 4.369 4.480 -0.007 0.000 0.264 228 M C 1.855 178.029 176.300 -0.211 0.000 1.067 228 M CA 1.765 56.922 55.300 -0.238 0.000 1.103 228 M CB -0.444 32.083 32.600 -0.122 0.000 1.402 228 M HN 0.510 nan 8.290 nan 0.000 0.444 229 K N -0.560 119.713 120.400 -0.212 0.000 2.103 229 K HA -0.153 4.163 4.320 -0.007 0.000 0.204 229 K C 1.002 177.625 176.600 0.038 0.000 1.052 229 K CA 1.726 57.984 56.287 -0.049 0.000 0.945 229 K CB -0.843 31.680 32.500 0.038 0.000 0.722 229 K HN 0.576 nan 8.250 nan 0.000 0.443 230 Y N 0.984 121.332 120.300 0.080 0.000 2.555 230 Y HA 0.388 4.934 4.550 -0.007 0.000 0.259 230 Y C -0.228 175.738 175.900 0.111 0.000 1.179 230 Y CA -1.089 57.085 58.100 0.124 0.000 1.230 230 Y CB -0.106 38.368 38.460 0.024 0.000 1.146 230 Y HN 0.053 nan 8.280 nan 0.000 0.526 231 S N 0.142 115.802 115.700 -0.065 0.000 2.526 231 S HA 0.772 5.238 4.470 -0.007 0.000 0.293 231 S C -1.003 173.589 174.600 -0.012 0.000 1.092 231 S CA -0.638 57.544 58.200 -0.030 0.000 0.980 231 S CB 1.957 65.070 63.200 -0.146 0.000 1.048 231 S HN 0.142 nan 8.310 nan 0.000 0.483 232 I N 1.729 122.302 120.570 0.005 0.000 2.562 232 I HA 0.557 4.723 4.170 -0.007 0.000 0.301 232 I C -0.494 175.641 176.117 0.030 0.000 1.003 232 I CA -0.809 60.496 61.300 0.009 0.000 1.127 232 I CB 1.623 39.625 38.000 0.002 0.000 1.304 232 I HN 0.690 nan 8.210 nan 0.000 0.446 233 I N 5.206 125.799 120.570 0.038 0.000 2.468 233 I HA 0.359 4.525 4.170 -0.007 0.000 0.284 233 I C -1.054 175.089 176.117 0.044 0.000 1.038 233 I CA -0.738 60.610 61.300 0.080 0.000 1.083 233 I CB 1.686 39.751 38.000 0.108 0.000 1.223 233 I HN 0.118 nan 8.210 nan 0.000 0.443 234 V N 5.082 125.005 119.914 0.014 0.000 2.427 234 V HA 0.748 4.864 4.120 -0.007 0.000 0.286 234 V C 0.301 176.392 176.094 -0.005 0.000 1.034 234 V CA -0.426 61.872 62.300 -0.003 0.000 0.893 234 V CB 1.531 33.339 31.823 -0.024 0.000 0.982 234 V HN 0.808 nan 8.190 nan 0.000 0.452 235 A N 3.898 126.727 122.820 0.015 0.000 2.359 235 A HA 0.877 5.193 4.320 -0.007 0.000 0.303 235 A C -0.176 177.426 177.584 0.031 0.000 1.066 235 A CA -0.282 51.770 52.037 0.025 0.000 0.730 235 A CB 1.569 20.598 19.000 0.048 0.000 1.211 235 A HN 1.385 nan 8.150 nan 0.000 0.439 236 A N 2.931 125.770 122.820 0.032 0.000 2.893 236 A HA 0.605 4.921 4.320 -0.007 0.000 0.333 236 A C 0.559 178.175 177.584 0.053 0.000 1.152 236 A CA 0.209 52.277 52.037 0.051 0.000 0.782 236 A CB -0.482 18.556 19.000 0.064 0.000 1.108 236 A HN 1.488 nan 8.150 nan 0.000 0.469 237 T N -0.918 113.668 114.554 0.053 0.000 2.750 237 T HA 0.415 4.761 4.350 -0.007 0.000 0.351 237 T C 1.626 176.359 174.700 0.054 0.000 1.082 237 T CA 0.420 62.551 62.100 0.052 0.000 1.022 237 T CB 0.242 69.139 68.868 0.049 0.000 1.249 237 T HN 1.074 nan 8.240 nan 0.000 0.520 238 A N -0.075 122.775 122.820 0.050 0.000 1.897 238 A HA 0.061 4.377 4.320 -0.007 0.000 0.215 238 A C 2.739 180.350 177.584 0.045 0.000 1.181 238 A CA 1.885 53.951 52.037 0.048 0.000 0.620 238 A CB -1.452 17.574 19.000 0.043 0.000 0.821 238 A HN 0.872 nan 8.150 nan 0.000 0.443 239 S N -0.152 115.573 115.700 0.042 0.000 2.382 239 S HA -0.097 4.369 4.470 -0.007 0.000 0.228 239 S C 0.788 175.414 174.600 0.044 0.000 1.027 239 S CA 0.431 58.653 58.200 0.038 0.000 0.991 239 S CB -0.537 62.683 63.200 0.034 0.000 0.823 239 S HN 0.540 nan 8.310 nan 0.000 0.469 240 E N 1.857 122.089 120.200 0.053 0.000 2.534 240 E HA 0.131 4.477 4.350 -0.007 0.000 0.264 240 E C 0.516 177.159 176.600 0.072 0.000 0.981 240 E CA 0.475 56.915 56.400 0.067 0.000 0.948 240 E CB 0.325 30.071 29.700 0.077 0.000 0.934 240 E HN 0.522 nan 8.360 nan 0.000 0.459 241 A N 2.604 125.471 122.820 0.079 0.000 2.521 241 A HA 0.188 4.504 4.320 -0.007 0.000 0.237 241 A C 1.418 179.051 177.584 0.081 0.000 1.087 241 A CA 0.666 52.743 52.037 0.066 0.000 0.777 241 A CB 0.163 19.202 19.000 0.065 0.000 1.035 241 A HN 0.736 nan 8.150 nan 0.000 0.510 242 A N 0.933 123.785 122.820 0.053 0.000 1.845 242 A HA -0.009 4.307 4.320 -0.007 0.000 0.215 242 A C -0.155 177.509 177.584 0.133 0.000 1.195 242 A CA 2.018 54.098 52.037 0.072 0.000 0.616 242 A CB -1.810 17.202 19.000 0.020 0.000 0.832 242 A HN 0.618 nan 8.150 nan 0.000 0.443 243 P HA -0.087 nan 4.420 nan 0.000 0.222 243 P C 1.291 178.809 177.300 0.363 0.000 1.147 243 P CA 0.745 63.944 63.100 0.166 0.000 0.790 243 P CB -0.122 31.415 31.700 -0.272 0.000 0.780 244 L N -1.007 120.397 121.223 0.300 0.000 2.156 244 L HA -0.145 4.191 4.340 -0.007 0.000 0.208 244 L C 2.485 179.484 176.870 0.214 0.000 1.095 244 L CA 1.390 56.418 54.840 0.312 0.000 0.770 244 L CB -0.775 41.429 42.059 0.242 0.000 0.914 244 L HN 0.020 nan 8.230 nan 0.000 0.439 245 Q N -1.177 118.743 119.800 0.199 0.000 2.187 245 Q HA -0.196 4.140 4.340 -0.007 0.000 0.199 245 Q C 2.023 178.143 176.000 0.199 0.000 0.957 245 Q CA 1.298 57.199 55.803 0.163 0.000 0.857 245 Q CB -0.098 28.728 28.738 0.147 0.000 0.929 245 Q HN 0.542 nan 8.270 nan 0.000 0.453 246 Y N 0.683 121.084 120.300 0.170 0.000 2.220 246 Y HA -0.154 4.392 4.550 -0.007 0.000 0.291 246 Y C 1.818 177.881 175.900 0.271 0.000 1.129 246 Y CA 0.864 59.092 58.100 0.213 0.000 1.161 246 Y CB -0.197 38.418 38.460 0.257 0.000 0.997 246 Y HN 0.044 nan 8.280 nan 0.000 0.522 247 L N 0.907 121.993 121.223 -0.228 0.000 2.131 247 L HA 0.131 4.467 4.340 -0.007 0.000 0.206 247 L C 2.553 179.406 176.870 -0.028 0.000 1.087 247 L CA 1.694 56.361 54.840 -0.288 0.000 0.767 247 L CB -1.268 40.823 42.059 0.054 0.000 0.917 247 L HN 0.327 nan 8.230 nan 0.000 0.441 248 A N 0.632 123.464 122.820 0.020 0.000 1.884 248 A HA -0.195 4.121 4.320 -0.007 0.000 0.219 248 A C -0.036 177.552 177.584 0.006 0.000 1.197 248 A CA 2.356 54.405 52.037 0.021 0.000 0.637 248 A CB -2.188 16.828 19.000 0.028 0.000 0.827 248 A HN 0.421 nan 8.150 nan 0.000 0.450 249 P HA -0.092 nan 4.420 nan 0.000 0.221 249 P C 0.816 177.989 177.300 -0.212 0.000 1.145 249 P CA 0.951 63.985 63.100 -0.109 0.000 0.795 249 P CB -0.137 31.280 31.700 -0.472 0.000 0.775 250 F N -0.722 119.147 119.950 -0.135 0.000 2.387 250 F HA -0.048 4.475 4.527 -0.006 0.000 0.294 250 F C 2.397 178.162 175.800 -0.058 0.000 1.093 250 F CA 1.529 59.452 58.000 -0.128 0.000 1.420 250 F CB -1.451 37.417 39.000 -0.221 0.000 1.086 250 F HN -0.055 nan 8.300 nan 0.000 0.531 251 T N -2.162 112.458 114.554 0.110 0.000 2.896 251 T HA 0.002 4.348 4.350 -0.007 0.000 0.263 251 T C 2.125 176.853 174.700 0.047 0.000 1.050 251 T CA 0.830 62.966 62.100 0.060 0.000 1.140 251 T CB -0.664 68.217 68.868 0.023 0.000 0.877 251 T HN 0.131 nan 8.240 nan 0.000 0.457 252 A N 1.295 124.137 122.820 0.037 0.000 2.121 252 A HA 0.503 4.819 4.320 -0.007 0.000 0.218 252 A C 2.559 180.152 177.584 0.014 0.000 1.154 252 A CA 1.288 53.328 52.037 0.005 0.000 0.679 252 A CB -0.982 17.992 19.000 -0.044 0.000 0.795 252 A HN 0.733 nan 8.150 nan 0.000 0.458 253 A N -0.973 121.885 122.820 0.063 0.000 2.072 253 A HA 0.144 4.460 4.320 -0.007 0.000 0.216 253 A C 2.279 179.916 177.584 0.088 0.000 1.156 253 A CA 1.376 53.460 52.037 0.078 0.000 0.701 253 A CB -0.364 18.691 19.000 0.093 0.000 0.816 253 A HN 0.398 nan 8.150 nan 0.000 0.458 254 S N 0.054 115.807 115.700 0.090 0.000 2.371 254 S HA -0.070 4.396 4.470 -0.007 0.000 0.224 254 S C 1.698 176.383 174.600 0.143 0.000 1.029 254 S CA 1.251 59.513 58.200 0.103 0.000 0.978 254 S CB -0.357 62.891 63.200 0.079 0.000 0.833 254 S HN 0.440 nan 8.310 nan 0.000 0.466 255 I N 2.094 122.741 120.570 0.127 0.000 2.208 255 I HA -0.115 4.051 4.170 -0.007 0.000 0.245 255 I C 2.495 178.810 176.117 0.330 0.000 1.097 255 I CA 1.354 62.766 61.300 0.186 0.000 1.363 255 I CB -0.952 37.115 38.000 0.111 0.000 1.051 255 I HN 0.360 nan 8.210 nan 0.000 0.413 256 G N -0.916 108.000 108.800 0.194 0.000 2.534 256 G HA2 -0.140 3.816 3.960 -0.007 0.000 0.217 256 G HA3 -0.140 3.816 3.960 -0.007 0.000 0.217 256 G C 1.554 176.614 174.900 0.266 0.000 1.128 256 G CA 0.246 45.452 45.100 0.177 0.000 0.784 256 G HN 0.409 nan 8.290 nan 0.000 0.542 257 E N -0.967 119.376 120.200 0.239 0.000 2.230 257 E HA -0.023 4.323 4.350 -0.007 0.000 0.192 257 E C 1.830 178.544 176.600 0.189 0.000 0.987 257 E CA -0.172 56.333 56.400 0.175 0.000 0.841 257 E CB -0.093 29.674 29.700 0.113 0.000 0.783 257 E HN 0.635 nan 8.360 nan 0.000 0.481 258 W N 0.407 121.747 121.300 0.067 0.000 2.363 258 W HA -0.198 4.458 4.660 -0.007 0.000 0.296 258 W C 1.224 177.641 176.519 -0.170 0.000 1.212 258 W CA 1.377 58.662 57.345 -0.100 0.000 1.260 258 W CB -0.124 29.190 29.460 -0.242 0.000 1.131 258 W HN -0.022 nan 8.180 nan 0.000 0.530 259 F N 0.067 120.159 119.950 0.237 0.000 2.407 259 F HA 0.040 4.563 4.527 -0.006 0.000 0.299 259 F C 2.591 178.320 175.800 -0.118 0.000 1.097 259 F CA 1.537 59.577 58.000 0.067 0.000 1.422 259 F CB -0.953 38.146 39.000 0.165 0.000 1.067 259 F HN -0.146 nan 8.300 nan 0.000 0.539 260 R N 0.567 121.117 120.500 0.084 0.000 2.055 260 R HA -0.095 4.241 4.340 -0.007 0.000 0.226 260 R C 1.626 177.849 176.300 -0.128 0.000 1.135 260 R CA 1.523 57.608 56.100 -0.024 0.000 0.959 260 R CB -0.282 30.029 30.300 0.018 0.000 0.854 260 R HN 0.088 nan 8.270 nan 0.000 0.431 261 D N 0.612 120.909 120.400 -0.172 0.000 2.219 261 D HA -0.099 4.537 4.640 -0.007 0.000 0.205 261 D C 0.179 176.280 176.300 -0.333 0.000 0.970 261 D CA 0.972 54.839 54.000 -0.222 0.000 0.851 261 D CB -0.150 40.523 40.800 -0.211 0.000 0.943 261 D HN 0.128 nan 8.370 nan 0.000 0.488 262 N N 0.056 118.441 118.700 -0.525 0.000 2.920 262 N HA 0.242 4.978 4.740 -0.007 0.000 0.310 262 N C 0.290 175.578 175.510 -0.371 0.000 1.384 262 N CA -0.047 52.653 53.050 -0.585 0.000 1.083 262 N CB 0.470 38.271 38.487 -1.143 0.000 1.389 262 N HN 0.001 nan 8.380 nan 0.000 0.521 263 G N 0.671 109.324 108.800 -0.245 0.000 2.441 263 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.298 263 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.298 263 G C 0.434 175.238 174.900 -0.160 0.000 0.949 263 G CA 0.938 45.932 45.100 -0.177 0.000 1.072 263 G HN 0.384 nan 8.290 nan 0.000 0.512 264 K N -1.238 119.062 120.400 -0.167 0.000 1.884 264 K HA 0.640 4.956 4.320 -0.007 0.000 0.250 264 K C -0.333 176.102 176.600 -0.274 0.000 1.009 264 K CA -0.996 55.271 56.287 -0.033 0.000 0.925 264 K CB 1.207 33.870 32.500 0.273 0.000 1.839 264 K HN 0.284 nan 8.250 nan 0.000 0.735 265 H N -0.906 118.347 119.070 0.304 0.000 2.865 265 H HA 0.556 5.108 4.556 -0.007 0.000 0.362 265 H C -1.432 174.022 175.328 0.209 0.000 1.114 265 H CA -0.704 55.452 56.048 0.180 0.000 1.208 265 H CB 2.132 31.926 29.762 0.054 0.000 1.727 265 H HN 0.692 nan 8.280 nan 0.000 0.534 266 A N 2.494 125.426 122.820 0.186 0.000 2.515 266 A HA 0.528 4.844 4.320 -0.007 0.000 0.298 266 A C -1.644 175.940 177.584 0.001 0.000 1.059 266 A CA -0.640 51.415 52.037 0.030 0.000 0.698 266 A CB 2.041 20.991 19.000 -0.083 0.000 1.289 266 A HN 0.390 nan 8.150 nan 0.000 0.404 267 L N 2.415 123.615 121.223 -0.039 0.000 2.353 267 L HA 0.674 5.010 4.340 -0.007 0.000 0.270 267 L C -1.089 175.727 176.870 -0.090 0.000 1.003 267 L CA -0.458 54.352 54.840 -0.051 0.000 0.862 267 L CB 0.866 42.901 42.059 -0.040 0.000 1.221 267 L HN 0.647 nan 8.230 nan 0.000 0.430 268 I N 5.583 126.071 120.570 -0.137 0.000 2.325 268 I HA 0.469 4.635 4.170 -0.007 0.000 0.291 268 I C -0.925 174.977 176.117 -0.357 0.000 1.019 268 I CA 0.021 61.151 61.300 -0.283 0.000 1.302 268 I CB 1.216 39.006 38.000 -0.351 0.000 1.401 268 I HN 0.356 nan 8.210 nan 0.000 0.485 269 V N 9.111 128.800 119.914 -0.376 0.000 2.376 269 V HA 0.325 4.441 4.120 -0.007 0.000 0.287 269 V C -0.906 174.943 176.094 -0.408 0.000 1.015 269 V CA -0.578 61.562 62.300 -0.266 0.000 0.834 269 V CB 0.770 32.585 31.823 -0.014 0.000 1.001 269 V HN 0.473 nan 8.190 nan 0.000 0.428 270 Y N 2.882 123.103 120.300 -0.132 0.000 2.316 270 Y HA 0.610 5.155 4.550 -0.007 0.000 0.331 270 Y C 0.463 176.270 175.900 -0.154 0.000 1.083 270 Y CA -0.449 57.542 58.100 -0.182 0.000 1.206 270 Y CB 0.981 39.340 38.460 -0.168 0.000 1.195 270 Y HN 0.578 nan 8.280 nan 0.000 0.497 271 D N 2.676 123.034 120.400 -0.070 0.000 2.548 271 D HA 0.040 4.676 4.640 -0.007 0.000 0.214 271 D C -2.062 174.199 176.300 -0.064 0.000 1.345 271 D CA -0.426 53.543 54.000 -0.051 0.000 0.945 271 D CB 1.424 42.207 40.800 -0.029 0.000 1.499 271 D HN 0.589 nan 8.370 nan 0.000 0.579 272 D N 3.927 124.327 120.400 0.001 0.000 2.192 272 D HA 0.250 4.886 4.640 -0.007 0.000 0.246 272 D C 1.329 177.655 176.300 0.042 0.000 1.042 272 D CA -0.535 53.483 54.000 0.030 0.000 0.847 272 D CB 2.162 42.988 40.800 0.042 0.000 1.186 272 D HN 0.378 nan 8.370 nan 0.000 0.461 273 L N 2.025 123.279 121.223 0.052 0.000 2.109 273 L HA -0.137 4.199 4.340 -0.007 0.000 0.207 273 L C 2.286 179.235 176.870 0.131 0.000 1.086 273 L CA 0.645 55.530 54.840 0.075 0.000 0.760 273 L CB -0.146 41.965 42.059 0.086 0.000 0.910 273 L HN 0.365 nan 8.230 nan 0.000 0.437 274 S N -0.147 115.603 115.700 0.083 0.000 2.370 274 S HA -0.200 4.266 4.470 -0.007 0.000 0.226 274 S C 1.825 176.502 174.600 0.129 0.000 1.033 274 S CA 1.304 59.554 58.200 0.084 0.000 1.011 274 S CB -0.106 63.132 63.200 0.062 0.000 0.852 274 S HN 0.367 nan 8.310 nan 0.000 0.457 275 K N 0.852 121.316 120.400 0.107 0.000 2.365 275 K HA -0.029 4.287 4.320 -0.007 0.000 0.199 275 K C 2.322 179.003 176.600 0.135 0.000 1.045 275 K CA 0.526 56.880 56.287 0.112 0.000 0.962 275 K CB -0.053 32.495 32.500 0.081 0.000 0.759 275 K HN 0.411 nan 8.250 nan 0.000 0.469 276 Q N 0.699 120.579 119.800 0.135 0.000 2.062 276 Q HA -0.088 4.248 4.340 -0.007 0.000 0.196 276 Q C 2.089 178.243 176.000 0.257 0.000 0.967 276 Q CA 1.107 57.001 55.803 0.151 0.000 0.832 276 Q CB -0.035 28.725 28.738 0.037 0.000 0.899 276 Q HN 0.266 nan 8.270 nan 0.000 0.442 277 A N 0.508 123.508 122.820 0.300 0.000 1.873 277 A HA -0.197 4.119 4.320 -0.007 0.000 0.218 277 A C 2.233 180.122 177.584 0.508 0.000 1.193 277 A CA 1.984 54.269 52.037 0.412 0.000 0.629 277 A CB -1.100 18.043 19.000 0.238 0.000 0.826 277 A HN 0.315 nan 8.150 nan 0.000 0.447 278 V N -0.197 119.959 119.914 0.404 0.000 2.324 278 V HA -0.292 3.824 4.120 -0.007 0.000 0.250 278 V C 2.991 179.203 176.094 0.197 0.000 1.060 278 V CA 2.127 64.598 62.300 0.285 0.000 1.042 278 V CB -1.369 30.565 31.823 0.185 0.000 0.650 278 V HN 0.651 nan 8.190 nan 0.000 0.450 279 A N -1.196 121.753 122.820 0.214 0.000 1.969 279 A HA -0.216 4.100 4.320 -0.007 0.000 0.218 279 A C 2.145 179.850 177.584 0.202 0.000 1.169 279 A CA 1.694 53.839 52.037 0.179 0.000 0.635 279 A CB -0.658 18.458 19.000 0.192 0.000 0.810 279 A HN 0.642 nan 8.150 nan 0.000 0.445 280 Y N -0.004 120.393 120.300 0.161 0.000 2.457 280 Y HA 0.018 4.564 4.550 -0.007 0.000 0.292 280 Y C 2.279 178.233 175.900 0.090 0.000 1.125 280 Y CA 1.339 59.506 58.100 0.112 0.000 1.254 280 Y CB -0.188 38.386 38.460 0.190 0.000 1.012 280 Y HN 0.291 nan 8.280 nan 0.000 0.555 281 R N 0.089 120.652 120.500 0.105 0.000 2.193 281 R HA -0.125 4.211 4.340 -0.007 0.000 0.213 281 R C 2.271 178.498 176.300 -0.121 0.000 1.055 281 R CA 1.118 57.198 56.100 -0.033 0.000 0.995 281 R CB -0.100 30.154 30.300 -0.077 0.000 0.893 281 R HN 0.514 nan 8.270 nan 0.000 0.459 282 Q N 0.579 120.334 119.800 -0.075 0.000 2.016 282 Q HA -0.151 4.185 4.340 -0.007 0.000 0.200 282 Q C 2.029 177.956 176.000 -0.122 0.000 0.978 282 Q CA 1.481 57.237 55.803 -0.079 0.000 0.833 282 Q CB -0.044 28.676 28.738 -0.031 0.000 0.895 282 Q HN 0.370 nan 8.270 nan 0.000 0.427 283 L N 0.713 121.837 121.223 -0.164 0.000 1.976 283 L HA -0.212 4.124 4.340 -0.007 0.000 0.209 283 L C 2.838 179.569 176.870 -0.233 0.000 1.071 283 L CA 1.523 56.241 54.840 -0.204 0.000 0.746 283 L CB -0.862 41.039 42.059 -0.263 0.000 0.890 283 L HN 0.373 nan 8.230 nan 0.000 0.432 284 S N 0.465 115.961 115.700 -0.340 0.000 2.372 284 S HA -0.259 4.207 4.470 -0.007 0.000 0.227 284 S C 1.977 176.476 174.600 -0.168 0.000 1.044 284 S CA 1.474 59.501 58.200 -0.289 0.000 1.050 284 S CB -1.060 61.924 63.200 -0.359 0.000 0.901 284 S HN 0.336 nan 8.310 nan 0.000 0.447 285 L N 0.939 122.074 121.223 -0.147 0.000 2.012 285 L HA -0.063 4.273 4.340 -0.007 0.000 0.210 285 L C 2.655 179.472 176.870 -0.089 0.000 1.073 285 L CA 1.354 56.131 54.840 -0.104 0.000 0.748 285 L CB -0.694 41.304 42.059 -0.100 0.000 0.891 285 L HN 0.321 nan 8.230 nan 0.000 0.431 286 L N -0.617 120.549 121.223 -0.095 0.000 2.265 286 L HA -0.195 4.141 4.340 -0.007 0.000 0.215 286 L C 1.926 178.751 176.870 -0.075 0.000 1.117 286 L CA 0.838 55.632 54.840 -0.078 0.000 0.782 286 L CB -0.299 41.712 42.059 -0.080 0.000 0.914 286 L HN 0.298 nan 8.230 nan 0.000 0.441 287 L N -0.153 121.016 121.223 -0.090 0.000 2.653 287 L HA 0.140 4.476 4.340 -0.007 0.000 0.232 287 L C 0.486 177.319 176.870 -0.062 0.000 1.169 287 L CA -0.208 54.586 54.840 -0.078 0.000 0.951 287 L CB -0.067 41.933 42.059 -0.098 0.000 1.181 287 L HN 0.224 nan 8.230 nan 0.000 0.460 288 R N 0.290 120.755 120.500 -0.058 0.000 3.641 288 R HA -0.145 4.191 4.340 -0.007 0.000 0.286 288 R C -0.271 176.003 176.300 -0.043 0.000 1.153 288 R CA 0.445 56.518 56.100 -0.045 0.000 0.775 288 R CB -1.707 28.573 30.300 -0.034 0.000 1.215 288 R HN 0.302 nan 8.270 nan 0.000 0.474 289 R N 0.915 121.382 120.500 -0.055 0.000 2.340 289 R HA 0.246 4.582 4.340 -0.007 0.000 0.300 289 R C -1.992 174.288 176.300 -0.033 0.000 1.069 289 R CA -2.170 53.904 56.100 -0.044 0.000 0.984 289 R CB 0.198 30.462 30.300 -0.061 0.000 1.003 289 R HN -0.092 nan 8.270 nan 0.000 0.459 290 P HA 0.054 nan 4.420 nan 0.000 0.260 290 P C -2.281 175.014 177.300 -0.008 0.000 1.185 290 P CA -0.666 62.426 63.100 -0.013 0.000 0.763 290 P CB -0.053 31.644 31.700 -0.005 0.000 0.776 291 P HA 0.224 nan 4.420 nan 0.000 0.276 291 P C 0.505 177.796 177.300 -0.016 0.000 1.235 291 P CA 0.080 63.167 63.100 -0.022 0.000 0.772 291 P CB 1.042 32.717 31.700 -0.042 0.000 0.871 292 G N 2.730 111.528 108.800 -0.003 0.000 3.019 292 G HA2 0.310 4.266 3.960 -0.007 0.000 0.152 292 G HA3 0.310 4.266 3.960 -0.007 0.000 0.152 292 G C -0.568 174.277 174.900 -0.091 0.000 1.320 292 G CA -0.839 44.237 45.100 -0.039 0.000 1.013 292 G HN 0.368 nan 8.290 nan 0.000 0.593 293 R N 0.669 121.030 120.500 -0.231 0.000 2.522 293 R HA 0.204 4.540 4.340 -0.007 0.000 0.284 293 R C -0.173 176.073 176.300 -0.091 0.000 1.032 293 R CA 0.423 56.347 56.100 -0.293 0.000 1.049 293 R CB 0.283 30.179 30.300 -0.674 0.000 0.956 293 R HN 0.723 nan 8.270 nan 0.000 0.422 294 E N 1.526 121.726 120.200 0.000 0.000 2.722 294 E HA -0.338 4.008 4.350 -0.007 0.000 0.265 294 E C 0.211 176.780 176.600 -0.052 0.000 1.081 294 E CA 0.482 56.934 56.400 0.087 0.000 0.781 294 E CB -0.972 28.932 29.700 0.341 0.000 1.372 294 E HN 0.913 nan 8.360 nan 0.000 0.423 295 A N -2.345 120.436 122.820 -0.066 0.000 3.021 295 A HA -0.293 4.023 4.320 -0.007 0.000 0.257 295 A C -0.043 177.452 177.584 -0.148 0.000 1.277 295 A CA 1.688 53.650 52.037 -0.126 0.000 1.012 295 A CB -2.078 16.819 19.000 -0.173 0.000 1.147 295 A HN 0.414 nan 8.150 nan 0.000 0.861 296 Y N 0.838 121.164 120.300 0.043 0.000 2.309 296 Y HA 0.461 5.007 4.550 -0.007 0.000 0.327 296 Y C -0.992 174.970 175.900 0.103 0.000 1.172 296 Y CA -1.375 56.799 58.100 0.123 0.000 1.280 296 Y CB 0.368 38.995 38.460 0.279 0.000 1.234 296 Y HN 0.232 nan 8.280 nan 0.000 0.512 297 P HA -0.034 nan 4.420 nan 0.000 0.278 297 P C 0.529 177.986 177.300 0.262 0.000 1.270 297 P CA 0.327 63.545 63.100 0.198 0.000 0.800 297 P CB 0.665 32.466 31.700 0.168 0.000 1.142 298 G N 0.060 108.982 108.800 0.203 0.000 2.430 298 G HA2 -0.133 3.823 3.960 -0.007 0.000 0.216 298 G HA3 -0.133 3.823 3.960 -0.007 0.000 0.216 298 G C 0.494 175.557 174.900 0.271 0.000 1.146 298 G CA 0.380 45.603 45.100 0.204 0.000 0.793 298 G HN 0.599 nan 8.290 nan 0.000 0.537 299 D N 0.701 121.281 120.400 0.301 0.000 2.690 299 D HA 0.108 4.744 4.640 -0.007 0.000 0.236 299 D C 1.462 178.009 176.300 0.411 0.000 1.218 299 D CA -0.511 53.702 54.000 0.355 0.000 0.829 299 D CB 0.451 41.444 40.800 0.322 0.000 1.009 299 D HN 0.087 nan 8.370 nan 0.000 0.482 300 V N -0.524 119.636 119.914 0.410 0.000 2.871 300 V HA -0.021 4.095 4.120 -0.007 0.000 0.256 300 V C 1.485 177.715 176.094 0.226 0.000 1.082 300 V CA 0.785 63.287 62.300 0.337 0.000 1.105 300 V CB -0.626 31.391 31.823 0.323 0.000 0.713 300 V HN 0.275 nan 8.190 nan 0.000 0.473 301 F N -0.248 119.765 119.950 0.104 0.000 2.206 301 F HA -0.113 4.410 4.527 -0.007 0.000 0.298 301 F C 2.077 177.957 175.800 0.135 0.000 1.090 301 F CA 1.955 59.983 58.000 0.048 0.000 1.323 301 F CB -0.391 38.633 39.000 0.039 0.000 1.028 301 F HN 0.328 nan 8.300 nan 0.000 0.492 302 Y N 0.467 120.888 120.300 0.201 0.000 2.274 302 Y HA -0.175 4.371 4.550 -0.007 0.000 0.290 302 Y C 2.047 177.948 175.900 0.001 0.000 1.145 302 Y CA 1.545 59.704 58.100 0.100 0.000 1.203 302 Y CB -0.606 37.946 38.460 0.153 0.000 0.984 302 Y HN 0.221 nan 8.280 nan 0.000 0.533 303 L N -0.458 120.746 121.223 -0.031 0.000 2.046 303 L HA -0.205 4.131 4.340 -0.007 0.000 0.208 303 L C 1.877 178.613 176.870 -0.224 0.000 1.077 303 L CA 2.166 56.930 54.840 -0.127 0.000 0.747 303 L CB -0.720 41.201 42.059 -0.230 0.000 0.896 303 L HN 0.205 nan 8.230 nan 0.000 0.432 304 H N -1.717 117.164 119.070 -0.315 0.000 2.544 304 H HA 0.085 4.637 4.556 -0.006 0.000 0.269 304 H C 2.330 177.382 175.328 -0.459 0.000 0.970 304 H CA 0.889 56.694 56.048 -0.406 0.000 1.219 304 H CB 0.053 29.584 29.762 -0.384 0.000 1.421 304 H HN 0.522 nan 8.280 nan 0.000 0.555 305 S N 0.934 116.379 115.700 -0.425 0.000 2.348 305 S HA -0.145 4.321 4.470 -0.007 0.000 0.219 305 S C 1.977 176.414 174.600 -0.271 0.000 1.033 305 S CA 0.672 58.611 58.200 -0.436 0.000 0.974 305 S CB -0.139 62.747 63.200 -0.525 0.000 0.868 305 S HN 0.566 nan 8.310 nan 0.000 0.459 306 R N 0.656 120.969 120.500 -0.312 0.000 2.323 306 R HA 0.250 4.586 4.340 -0.007 0.000 0.198 306 R C 1.925 178.146 176.300 -0.132 0.000 0.988 306 R CA 0.635 56.598 56.100 -0.228 0.000 1.041 306 R CB -0.442 29.618 30.300 -0.400 0.000 0.926 306 R HN 0.469 nan 8.270 nan 0.000 0.476 307 L N 0.445 121.530 121.223 -0.231 0.000 2.185 307 L HA 0.168 4.504 4.340 -0.007 0.000 0.198 307 L C 1.828 178.531 176.870 -0.279 0.000 1.079 307 L CA 1.151 55.767 54.840 -0.372 0.000 0.780 307 L CB -0.162 41.397 42.059 -0.835 0.000 0.955 307 L HN 0.132 nan 8.230 nan 0.000 0.462 308 L N -0.198 120.862 121.223 -0.272 0.000 2.551 308 L HA -0.026 4.310 4.340 -0.007 0.000 0.228 308 L C 1.941 178.764 176.870 -0.078 0.000 1.153 308 L CA 0.564 55.312 54.840 -0.153 0.000 0.851 308 L CB -0.432 41.537 42.059 -0.150 0.000 0.959 308 L HN 0.417 nan 8.230 nan 0.000 0.451 309 E N 0.125 120.275 120.200 -0.083 0.000 2.478 309 E HA -0.033 4.313 4.350 -0.007 0.000 0.194 309 E C 1.536 178.127 176.600 -0.016 0.000 1.045 309 E CA -0.008 56.369 56.400 -0.039 0.000 0.868 309 E CB 0.283 29.962 29.700 -0.035 0.000 0.885 309 E HN 0.445 nan 8.360 nan 0.000 0.505 310 R N 0.518 121.008 120.500 -0.018 0.000 2.323 310 R HA 0.104 4.440 4.340 -0.007 0.000 0.198 310 R C 0.351 176.664 176.300 0.021 0.000 0.988 310 R CA 0.070 56.175 56.100 0.008 0.000 1.041 310 R CB 0.349 30.659 30.300 0.017 0.000 0.926 310 R HN -0.103 nan 8.270 nan 0.000 0.476 311 A N 1.099 123.930 122.820 0.017 0.000 2.277 311 A HA 0.751 5.067 4.320 -0.007 0.000 0.318 311 A C -0.620 176.974 177.584 0.017 0.000 1.339 311 A CA -0.393 51.658 52.037 0.024 0.000 0.875 311 A CB 0.890 19.910 19.000 0.033 0.000 1.158 311 A HN 0.205 nan 8.150 nan 0.000 0.514 312 A N 2.162 124.994 122.820 0.019 0.000 2.586 312 A HA 0.683 4.999 4.320 -0.007 0.000 0.291 312 A C -0.835 176.761 177.584 0.021 0.000 1.062 312 A CA -0.786 51.262 52.037 0.019 0.000 0.666 312 A CB 0.773 19.784 19.000 0.018 0.000 1.281 312 A HN 0.906 nan 8.150 nan 0.000 0.421 313 K N 1.552 121.968 120.400 0.027 0.000 2.316 313 K HA 0.566 4.882 4.320 -0.007 0.000 0.289 313 K C -0.566 176.054 176.600 0.032 0.000 1.070 313 K CA -0.036 56.272 56.287 0.036 0.000 0.928 313 K CB -0.173 32.360 32.500 0.055 0.000 1.039 313 K HN 0.561 nan 8.250 nan 0.000 0.480 314 L N 2.774 124.006 121.223 0.015 0.000 2.476 314 L HA 0.162 4.498 4.340 -0.007 0.000 0.255 314 L C 0.695 177.576 176.870 0.018 0.000 1.218 314 L CA -0.329 54.514 54.840 0.005 0.000 0.819 314 L CB 0.780 42.827 42.059 -0.021 0.000 1.119 314 L HN 0.910 nan 8.230 nan 0.000 0.485 315 S N -0.642 115.063 115.700 0.008 0.000 2.632 315 S HA 0.123 4.589 4.470 -0.007 0.000 0.267 315 S C 0.722 175.325 174.600 0.005 0.000 1.276 315 S CA -0.641 57.565 58.200 0.010 0.000 0.998 315 S CB 1.167 64.369 63.200 0.003 0.000 0.953 315 S HN 0.639 nan 8.310 nan 0.000 0.547 316 E N 0.896 121.099 120.200 0.005 0.000 2.038 316 E HA -0.200 4.146 4.350 -0.007 0.000 0.195 316 E C 1.848 178.443 176.600 -0.007 0.000 1.000 316 E CA 1.387 57.788 56.400 0.002 0.000 0.803 316 E CB -0.186 29.512 29.700 -0.004 0.000 0.750 316 E HN 0.761 nan 8.360 nan 0.000 0.448 317 K N 0.600 120.994 120.400 -0.010 0.000 2.283 317 K HA -0.141 4.175 4.320 -0.007 0.000 0.202 317 K C 1.623 178.210 176.600 -0.022 0.000 1.048 317 K CA 0.838 57.117 56.287 -0.015 0.000 0.948 317 K CB 0.277 32.770 32.500 -0.012 0.000 0.742 317 K HN -0.016 nan 8.250 nan 0.000 0.458 318 E N -1.030 119.157 120.200 -0.023 0.000 2.385 318 E HA 0.012 4.358 4.350 -0.007 0.000 0.194 318 E C 1.053 177.622 176.600 -0.052 0.000 1.013 318 E CA 0.914 57.292 56.400 -0.035 0.000 0.866 318 E CB 1.034 30.716 29.700 -0.029 0.000 0.832 318 E HN 0.568 nan 8.360 nan 0.000 0.500 319 G N 0.091 108.865 108.800 -0.043 0.000 2.296 319 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.188 319 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.188 319 G C 0.491 175.360 174.900 -0.051 0.000 1.000 319 G CA 0.137 45.202 45.100 -0.057 0.000 0.672 319 G HN 0.064 nan 8.290 nan 0.000 0.483 320 S N -0.778 114.903 115.700 -0.032 0.000 3.561 320 S HA -0.134 4.332 4.470 -0.007 0.000 0.318 320 S C 1.226 175.774 174.600 -0.086 0.000 1.181 320 S CA 1.454 59.649 58.200 -0.009 0.000 0.916 320 S CB -1.457 61.770 63.200 0.045 0.000 0.966 320 S HN 2.129 nan 8.310 nan 0.000 0.550 321 G N 1.710 110.432 108.800 -0.131 0.000 2.364 321 G HA2 0.483 4.439 3.960 -0.007 0.000 0.267 321 G HA3 0.483 4.439 3.960 -0.007 0.000 0.267 321 G C -0.032 174.786 174.900 -0.137 0.000 1.233 321 G CA 0.361 45.332 45.100 -0.214 0.000 0.885 321 G HN 0.848 nan 8.290 nan 0.000 0.490 322 S N 1.715 117.318 115.700 -0.162 0.000 2.482 322 S HA 0.634 5.100 4.470 -0.007 0.000 0.303 322 S C -0.850 173.780 174.600 0.050 0.000 1.091 322 S CA -0.910 57.293 58.200 0.005 0.000 1.057 322 S CB 1.945 65.212 63.200 0.112 0.000 1.031 322 S HN 0.617 nan 8.310 nan 0.000 0.485 323 L N 3.053 124.300 121.223 0.041 0.000 2.305 323 L HA 0.640 4.976 4.340 -0.007 0.000 0.284 323 L C -0.565 176.319 176.870 0.024 0.000 1.013 323 L CA 0.158 55.022 54.840 0.041 0.000 0.819 323 L CB 1.597 43.680 42.059 0.040 0.000 1.227 323 L HN 0.907 nan 8.230 nan 0.000 0.417 324 T N 4.719 119.278 114.554 0.010 0.000 2.771 324 T HA 0.813 5.159 4.350 -0.007 0.000 0.281 324 T C -0.235 174.451 174.700 -0.022 0.000 0.982 324 T CA -0.350 61.745 62.100 -0.007 0.000 0.978 324 T CB 1.332 70.187 68.868 -0.023 0.000 0.930 324 T HN 0.790 nan 8.240 nan 0.000 0.447 325 A N 3.423 126.242 122.820 -0.002 0.000 2.324 325 A HA 0.816 5.132 4.320 -0.007 0.000 0.330 325 A C -0.495 177.100 177.584 0.018 0.000 1.165 325 A CA -0.750 51.294 52.037 0.011 0.000 0.813 325 A CB 0.619 19.677 19.000 0.097 0.000 1.197 325 A HN 0.877 nan 8.150 nan 0.000 0.484 326 L N 3.493 124.723 121.223 0.012 0.000 2.470 326 L HA 0.290 4.626 4.340 -0.007 0.000 0.253 326 L C -2.601 174.311 176.870 0.070 0.000 1.163 326 L CA -1.670 53.187 54.840 0.029 0.000 0.932 326 L CB 1.731 43.793 42.059 0.006 0.000 1.213 326 L HN 0.436 nan 8.230 nan 0.000 0.485 327 P HA 0.106 nan 4.420 nan 0.000 0.271 327 P C -0.571 176.773 177.300 0.073 0.000 1.216 327 P CA -0.051 63.125 63.100 0.127 0.000 0.776 327 P CB 1.272 33.015 31.700 0.072 0.000 0.881 328 V N 4.705 124.661 119.914 0.070 0.000 2.555 328 V HA 0.431 4.547 4.120 -0.007 0.000 0.302 328 V C -0.019 176.098 176.094 0.038 0.000 1.038 328 V CA -0.466 61.863 62.300 0.047 0.000 0.887 328 V CB 1.731 33.581 31.823 0.045 0.000 0.991 328 V HN 0.386 nan 8.190 nan 0.000 0.434 329 I N 3.404 123.992 120.570 0.030 0.000 2.478 329 I HA 0.370 4.536 4.170 -0.007 0.000 0.287 329 I C -0.024 176.111 176.117 0.031 0.000 1.042 329 I CA -0.415 60.900 61.300 0.024 0.000 1.067 329 I CB 1.980 39.986 38.000 0.009 0.000 1.233 329 I HN 0.774 nan 8.210 nan 0.000 0.431 330 E N 5.511 125.730 120.200 0.031 0.000 2.001 330 E HA 0.261 4.607 4.350 -0.007 0.000 0.279 330 E C -0.140 176.486 176.600 0.043 0.000 1.045 330 E CA -0.363 56.054 56.400 0.029 0.000 0.833 330 E CB 0.666 30.382 29.700 0.028 0.000 1.077 330 E HN 0.682 nan 8.360 nan 0.000 0.397 331 T N 2.054 116.642 114.554 0.058 0.000 2.868 331 T HA 0.184 4.530 4.350 -0.007 0.000 0.292 331 T C 0.161 174.898 174.700 0.062 0.000 1.028 331 T CA -0.863 61.283 62.100 0.077 0.000 1.059 331 T CB 1.276 70.226 68.868 0.137 0.000 0.991 331 T HN 0.326 nan 8.240 nan 0.000 0.531 332 Q N 0.914 120.752 119.800 0.063 0.000 2.425 332 Q HA 0.448 4.784 4.340 -0.007 0.000 0.254 332 Q C 0.999 177.030 176.000 0.051 0.000 1.032 332 Q CA 0.120 55.954 55.803 0.051 0.000 0.798 332 Q CB 0.898 29.667 28.738 0.052 0.000 1.210 332 Q HN 1.305 nan 8.270 nan 0.000 0.491 333 G N 1.530 110.358 108.800 0.047 0.000 2.147 333 G HA2 -0.262 3.694 3.960 -0.007 0.000 0.244 333 G HA3 -0.262 3.694 3.960 -0.007 0.000 0.244 333 G C 0.771 175.716 174.900 0.074 0.000 1.005 333 G CA 0.442 45.570 45.100 0.047 0.000 0.713 333 G HN 1.213 nan 8.290 nan 0.000 0.515 334 G N -0.651 108.217 108.800 0.114 0.000 2.184 334 G HA2 -0.238 3.718 3.960 -0.007 0.000 0.264 334 G HA3 -0.238 3.718 3.960 -0.007 0.000 0.264 334 G C 0.276 175.244 174.900 0.113 0.000 0.975 334 G CA 0.995 46.215 45.100 0.201 0.000 0.642 334 G HN 1.561 nan 8.290 nan 0.000 0.536 335 D N 1.020 121.461 120.400 0.069 0.000 2.429 335 D HA 0.315 4.951 4.640 -0.007 0.000 0.253 335 D C 1.930 178.240 176.300 0.016 0.000 1.294 335 D CA 0.576 54.594 54.000 0.030 0.000 1.063 335 D CB 0.273 41.095 40.800 0.036 0.000 1.096 335 D HN 0.669 nan 8.370 nan 0.000 0.516 336 V N 0.807 120.696 119.914 -0.041 0.000 3.380 336 V HA 0.009 4.125 4.120 -0.007 0.000 0.268 336 V C 1.437 177.501 176.094 -0.050 0.000 1.168 336 V CA 0.555 62.812 62.300 -0.071 0.000 1.156 336 V CB -0.211 31.479 31.823 -0.221 0.000 0.785 336 V HN 0.289 nan 8.190 nan 0.000 0.487 337 S N 1.155 116.836 115.700 -0.030 0.000 2.743 337 S HA 0.629 5.095 4.470 -0.007 0.000 0.230 337 S C 0.974 175.590 174.600 0.026 0.000 0.950 337 S CA 0.321 58.516 58.200 -0.009 0.000 0.976 337 S CB -0.326 62.868 63.200 -0.010 0.000 0.779 337 S HN 0.854 nan 8.310 nan 0.000 0.487 338 A N 0.357 123.196 122.820 0.032 0.000 2.272 338 A HA 0.496 4.812 4.320 -0.007 0.000 0.275 338 A C 0.813 178.454 177.584 0.094 0.000 1.096 338 A CA -0.354 51.727 52.037 0.072 0.000 0.822 338 A CB 0.012 19.054 19.000 0.070 0.000 1.088 338 A HN 0.347 nan 8.150 nan 0.000 0.495 339 Y N 0.727 121.020 120.300 -0.011 0.000 2.089 339 Y HA -0.200 4.346 4.550 -0.007 0.000 0.282 339 Y C 1.906 177.741 175.900 -0.109 0.000 1.139 339 Y CA 2.133 60.209 58.100 -0.040 0.000 1.123 339 Y CB -0.156 38.295 38.460 -0.014 0.000 0.980 339 Y HN 0.483 nan 8.280 nan 0.000 0.493 340 I N 0.633 121.043 120.570 -0.267 0.000 2.142 340 I HA -0.198 3.969 4.170 -0.007 0.000 0.240 340 I C -0.354 175.583 176.117 -0.299 0.000 1.078 340 I CA 1.484 62.523 61.300 -0.436 0.000 1.343 340 I CB -2.718 35.062 38.000 -0.366 0.000 1.046 340 I HN 0.170 nan 8.210 nan 0.000 0.405 341 P HA -0.155 nan 4.420 nan 0.000 0.216 341 P C 1.787 179.027 177.300 -0.100 0.000 1.153 341 P CA 2.396 65.439 63.100 -0.094 0.000 0.858 341 P CB -0.282 31.401 31.700 -0.029 0.000 0.789 342 T N -4.211 110.283 114.554 -0.100 0.000 2.857 342 T HA -0.085 4.261 4.350 -0.007 0.000 0.266 342 T C 1.726 176.373 174.700 -0.087 0.000 1.048 342 T CA 1.238 63.294 62.100 -0.073 0.000 1.139 342 T CB -1.178 67.668 68.868 -0.037 0.000 0.874 342 T HN -0.039 nan 8.240 nan 0.000 0.455 343 N N 1.373 119.964 118.700 -0.181 0.000 2.104 343 N HA -0.043 4.693 4.740 -0.007 0.000 0.190 343 N C 1.857 177.302 175.510 -0.108 0.000 1.024 343 N CA 1.158 54.131 53.050 -0.127 0.000 0.853 343 N CB -0.755 37.534 38.487 -0.330 0.000 1.008 343 N HN 0.319 nan 8.380 nan 0.000 0.424 344 V N 0.998 120.794 119.914 -0.197 0.000 2.453 344 V HA -0.090 4.026 4.120 -0.007 0.000 0.247 344 V C 1.978 178.028 176.094 -0.072 0.000 1.048 344 V CA 1.022 63.227 62.300 -0.160 0.000 1.049 344 V CB -0.424 31.304 31.823 -0.158 0.000 0.672 344 V HN 0.289 nan 8.190 nan 0.000 0.457 345 I N 1.308 121.849 120.570 -0.048 0.000 2.614 345 I HA -0.158 4.008 4.170 -0.007 0.000 0.258 345 I C 2.366 178.488 176.117 0.008 0.000 1.189 345 I CA 1.593 62.884 61.300 -0.016 0.000 1.462 345 I CB -0.398 37.592 38.000 -0.017 0.000 1.092 345 I HN 0.471 nan 8.210 nan 0.000 0.442 346 S N 0.046 115.765 115.700 0.033 0.000 2.603 346 S HA 0.148 4.614 4.470 -0.007 0.000 0.220 346 S C 1.555 176.216 174.600 0.101 0.000 0.967 346 S CA 0.181 58.435 58.200 0.091 0.000 0.920 346 S CB -0.195 63.106 63.200 0.169 0.000 0.773 346 S HN 0.455 nan 8.310 nan 0.000 0.529 347 I N 1.355 121.939 120.570 0.024 0.000 3.443 347 I HA 0.085 4.251 4.170 -0.007 0.000 0.277 347 I C 0.858 176.964 176.117 -0.018 0.000 1.169 347 I CA 0.459 61.744 61.300 -0.026 0.000 1.419 347 I CB -0.294 37.620 38.000 -0.145 0.000 1.331 347 I HN 0.295 nan 8.210 nan 0.000 0.458 348 T N 0.674 115.216 114.554 -0.020 0.000 2.761 348 T HA 0.093 4.439 4.350 -0.007 0.000 0.296 348 T C 0.051 174.755 174.700 0.007 0.000 0.934 348 T CA -0.769 61.327 62.100 -0.007 0.000 1.091 348 T CB 0.236 69.102 68.868 -0.004 0.000 0.896 348 T HN 0.202 nan 8.240 nan 0.000 0.515 349 D N 2.398 122.805 120.400 0.011 0.000 2.600 349 D HA 0.416 5.052 4.640 -0.007 0.000 0.226 349 D C 0.644 176.955 176.300 0.017 0.000 1.119 349 D CA -0.376 53.634 54.000 0.016 0.000 1.051 349 D CB -0.651 40.160 40.800 0.018 0.000 1.106 349 D HN 1.098 nan 8.370 nan 0.000 0.491 350 G N 0.872 109.684 108.800 0.019 0.000 2.307 350 G HA2 0.277 4.233 3.960 -0.007 0.000 0.348 350 G HA3 0.277 4.233 3.960 -0.007 0.000 0.348 350 G C -1.770 173.148 174.900 0.029 0.000 1.603 350 G CA -1.122 43.993 45.100 0.024 0.000 0.961 350 G HN 0.267 nan 8.290 nan 0.000 0.686 351 Q N -0.011 119.813 119.800 0.041 0.000 2.289 351 Q HA 0.676 5.012 4.340 -0.007 0.000 0.270 351 Q C -0.340 175.709 176.000 0.081 0.000 1.038 351 Q CA -0.565 55.273 55.803 0.059 0.000 0.812 351 Q CB 2.637 31.411 28.738 0.060 0.000 1.300 351 Q HN 0.615 nan 8.270 nan 0.000 0.427 352 I N 2.668 123.290 120.570 0.087 0.000 2.442 352 I HA 0.293 4.459 4.170 -0.007 0.000 0.279 352 I C -0.920 175.270 176.117 0.121 0.000 1.081 352 I CA -0.683 60.671 61.300 0.089 0.000 1.197 352 I CB 0.298 38.326 38.000 0.047 0.000 1.394 352 I HN 0.539 nan 8.210 nan 0.000 0.488 353 F N 7.141 127.100 119.950 0.014 0.000 2.445 353 F HA 0.420 4.942 4.527 -0.007 0.000 0.359 353 F C -0.452 175.360 175.800 0.020 0.000 1.101 353 F CA -0.321 57.687 58.000 0.013 0.000 1.177 353 F CB 0.555 39.562 39.000 0.013 0.000 1.110 353 F HN 0.209 nan 8.300 nan 0.000 0.522 354 L N 6.371 127.185 121.223 -0.682 0.000 2.257 354 L HA 0.334 4.670 4.340 -0.007 0.000 0.290 354 L C -0.128 176.204 176.870 -0.898 0.000 1.044 354 L CA -0.404 54.100 54.840 -0.561 0.000 0.810 354 L CB 1.191 43.067 42.059 -0.305 0.000 1.193 354 L HN 0.606 nan 8.230 nan 0.000 0.425 355 E N 1.884 121.758 120.200 -0.542 0.000 2.174 355 E HA 0.319 4.665 4.350 -0.007 0.000 0.282 355 E C 0.667 177.223 176.600 -0.074 0.000 0.992 355 E CA -0.204 56.015 56.400 -0.302 0.000 0.803 355 E CB 1.770 31.499 29.700 0.048 0.000 1.090 355 E HN 0.727 nan 8.360 nan 0.000 0.396 356 A N 4.161 126.952 122.820 -0.048 0.000 1.978 356 A HA -0.238 4.078 4.320 -0.007 0.000 0.220 356 A C 1.866 179.541 177.584 0.152 0.000 1.170 356 A CA 1.824 53.890 52.037 0.049 0.000 0.636 356 A CB -0.374 18.632 19.000 0.010 0.000 0.810 356 A HN 0.816 nan 8.150 nan 0.000 0.448 357 E N 0.105 120.374 120.200 0.115 0.000 2.070 357 E HA -0.186 4.160 4.350 -0.007 0.000 0.197 357 E C 1.748 178.443 176.600 0.158 0.000 1.004 357 E CA 1.658 58.135 56.400 0.128 0.000 0.805 357 E CB -0.314 29.447 29.700 0.102 0.000 0.744 357 E HN 0.643 nan 8.360 nan 0.000 0.451 358 L N -0.639 120.667 121.223 0.139 0.000 2.313 358 L HA 0.009 4.345 4.340 -0.007 0.000 0.214 358 L C 2.041 178.992 176.870 0.135 0.000 1.119 358 L CA 0.193 55.104 54.840 0.118 0.000 0.809 358 L CB -0.267 41.848 42.059 0.093 0.000 0.933 358 L HN 0.167 nan 8.230 nan 0.000 0.449 359 F N -0.029 119.942 119.950 0.036 0.000 2.113 359 F HA -0.273 4.249 4.527 -0.007 0.000 0.297 359 F C 2.538 178.382 175.800 0.072 0.000 1.103 359 F CA 1.450 59.469 58.000 0.032 0.000 1.248 359 F CB -0.289 38.721 39.000 0.017 0.000 0.999 359 F HN -0.013 nan 8.300 nan 0.000 0.475 360 Y N 1.348 121.714 120.300 0.112 0.000 2.224 360 Y HA -0.179 4.366 4.550 -0.008 0.000 0.289 360 Y C 2.228 178.101 175.900 -0.046 0.000 1.146 360 Y CA 1.886 60.002 58.100 0.027 0.000 1.182 360 Y CB -0.531 37.972 38.460 0.071 0.000 0.983 360 Y HN -0.013 nan 8.280 nan 0.000 0.524 361 K N -0.925 119.450 120.400 -0.041 0.000 2.209 361 K HA -0.010 4.306 4.320 -0.007 0.000 0.204 361 K C 1.587 178.076 176.600 -0.186 0.000 1.048 361 K CA 1.092 57.304 56.287 -0.125 0.000 0.940 361 K CB -0.320 32.177 32.500 -0.006 0.000 0.729 361 K HN 0.592 nan 8.250 nan 0.000 0.451 362 G N 0.870 109.545 108.800 -0.208 0.000 2.284 362 G HA2 -0.203 3.753 3.960 -0.007 0.000 0.201 362 G HA3 -0.203 3.753 3.960 -0.007 0.000 0.201 362 G C 0.231 175.030 174.900 -0.168 0.000 0.998 362 G CA -0.346 44.619 45.100 -0.226 0.000 0.651 362 G HN 0.167 nan 8.290 nan 0.000 0.489 363 I N 2.654 123.166 120.570 -0.097 0.000 2.705 363 I HA 0.201 4.367 4.170 -0.007 0.000 0.291 363 I C 0.702 176.793 176.117 -0.043 0.000 1.146 363 I CA 0.656 61.929 61.300 -0.044 0.000 1.383 363 I CB -0.189 37.815 38.000 0.007 0.000 1.454 363 I HN 0.107 nan 8.210 nan 0.000 0.581 364 R N 6.605 127.069 120.500 -0.060 0.000 2.575 364 R HA 0.465 4.801 4.340 -0.007 0.000 0.293 364 R C -2.676 173.618 176.300 -0.010 0.000 0.983 364 R CA -1.933 54.147 56.100 -0.034 0.000 0.887 364 R CB 1.706 31.933 30.300 -0.122 0.000 1.184 364 R HN 0.165 nan 8.270 nan 0.000 0.445 365 P HA 0.019 nan 4.420 nan 0.000 0.269 365 P C -0.539 176.798 177.300 0.061 0.000 1.209 365 P CA -0.143 62.989 63.100 0.053 0.000 0.776 365 P CB 0.756 32.474 31.700 0.031 0.000 0.876 366 A N 3.895 126.776 122.820 0.103 0.000 3.118 366 A HA 0.231 4.547 4.320 -0.007 0.000 0.256 366 A C 0.340 177.939 177.584 0.024 0.000 1.667 366 A CA -0.331 51.755 52.037 0.083 0.000 1.338 366 A CB -1.373 17.718 19.000 0.151 0.000 1.127 366 A HN 0.456 nan 8.150 nan 0.000 0.634 367 I N 1.501 122.091 120.570 0.035 0.000 2.363 367 I HA 0.034 4.200 4.170 -0.007 0.000 0.292 367 I C 0.729 176.894 176.117 0.081 0.000 1.075 367 I CA -0.191 61.133 61.300 0.040 0.000 1.333 367 I CB 0.504 38.532 38.000 0.046 0.000 1.415 367 I HN 0.523 nan 8.210 nan 0.000 0.502 368 N N 6.105 124.881 118.700 0.127 0.000 2.400 368 N HA 0.039 4.775 4.740 -0.007 0.000 0.267 368 N C 1.057 176.655 175.510 0.146 0.000 1.208 368 N CA -0.297 52.857 53.050 0.174 0.000 0.951 368 N CB 1.056 39.731 38.487 0.313 0.000 1.227 368 N HN 0.477 nan 8.380 nan 0.000 0.488 369 V N 3.820 123.799 119.914 0.109 0.000 2.546 369 V HA -0.200 3.916 4.120 -0.007 0.000 0.254 369 V C 2.418 178.562 176.094 0.082 0.000 1.076 369 V CA 2.106 64.461 62.300 0.091 0.000 1.087 369 V CB -0.856 31.018 31.823 0.085 0.000 0.674 369 V HN 0.796 nan 8.190 nan 0.000 0.470 370 G N -0.653 108.195 108.800 0.081 0.000 2.408 370 G HA2 -0.144 3.812 3.960 -0.007 0.000 0.217 370 G HA3 -0.144 3.812 3.960 -0.007 0.000 0.217 370 G C 1.503 176.431 174.900 0.045 0.000 1.150 370 G CA 0.677 45.811 45.100 0.057 0.000 0.776 370 G HN 0.506 nan 8.290 nan 0.000 0.542 371 L N 0.356 121.618 121.223 0.066 0.000 2.638 371 L HA 0.257 4.593 4.340 -0.007 0.000 0.232 371 L C 0.505 177.415 176.870 0.067 0.000 1.099 371 L CA -0.105 54.753 54.840 0.029 0.000 0.883 371 L CB 0.544 42.573 42.059 -0.051 0.000 1.136 371 L HN 0.007 nan 8.230 nan 0.000 0.492 372 S N -0.007 115.755 115.700 0.103 0.000 2.525 372 S HA 0.541 5.007 4.470 -0.007 0.000 0.278 372 S C -0.539 174.101 174.600 0.067 0.000 1.234 372 S CA -0.324 57.936 58.200 0.100 0.000 1.058 372 S CB 2.317 65.584 63.200 0.112 0.000 0.983 372 S HN -0.013 nan 8.310 nan 0.000 0.495 373 V N 2.324 122.272 119.914 0.056 0.000 2.966 373 V HA 0.567 4.683 4.120 -0.007 0.000 0.288 373 V C -0.995 175.121 176.094 0.037 0.000 1.380 373 V CA -0.505 61.822 62.300 0.044 0.000 0.966 373 V CB 2.291 34.136 31.823 0.037 0.000 1.115 373 V HN 0.808 nan 8.190 nan 0.000 0.436 374 S N 5.394 121.114 115.700 0.033 0.000 2.442 374 S HA 0.526 4.992 4.470 -0.007 0.000 0.297 374 S C 0.760 175.375 174.600 0.024 0.000 1.131 374 S CA -0.655 57.560 58.200 0.026 0.000 1.092 374 S CB 1.155 64.368 63.200 0.022 0.000 0.998 374 S HN 0.788 nan 8.310 nan 0.000 0.478 375 R N 2.314 122.827 120.500 0.022 0.000 2.346 375 R HA 0.073 4.409 4.340 -0.007 0.000 0.199 375 R C -0.006 176.307 176.300 0.022 0.000 1.015 375 R CA 0.383 56.496 56.100 0.022 0.000 1.058 375 R CB -0.261 30.052 30.300 0.021 0.000 0.921 375 R HN 0.516 nan 8.270 nan 0.000 0.475 376 V N -3.830 116.097 119.914 0.020 0.000 2.658 376 V HA 0.404 4.520 4.120 -0.007 0.000 0.259 376 V C 0.693 176.799 176.094 0.019 0.000 0.933 376 V CA -0.784 61.529 62.300 0.021 0.000 0.871 376 V CB 0.868 32.703 31.823 0.020 0.000 1.062 376 V HN 0.126 nan 8.190 nan 0.000 0.479 377 G N 2.425 111.238 108.800 0.023 0.000 2.752 377 G HA2 -0.052 3.904 3.960 -0.007 0.000 0.209 377 G HA3 -0.052 3.904 3.960 -0.007 0.000 0.209 377 G C 1.351 176.264 174.900 0.023 0.000 1.392 377 G CA 1.157 46.271 45.100 0.023 0.000 0.873 377 G HN 0.658 nan 8.290 nan 0.000 0.586 378 S N 1.267 116.983 115.700 0.025 0.000 2.407 378 S HA -0.161 4.305 4.470 -0.007 0.000 0.235 378 S C 2.667 177.284 174.600 0.028 0.000 1.036 378 S CA 1.478 59.694 58.200 0.026 0.000 1.013 378 S CB -0.533 62.683 63.200 0.027 0.000 0.820 378 S HN 0.683 nan 8.310 nan 0.000 0.476 379 A N 1.082 123.920 122.820 0.030 0.000 1.908 379 A HA 0.132 4.448 4.320 -0.007 0.000 0.218 379 A C 2.171 179.778 177.584 0.037 0.000 1.181 379 A CA 1.765 53.827 52.037 0.040 0.000 0.627 379 A CB -0.692 18.333 19.000 0.041 0.000 0.818 379 A HN 0.578 nan 8.150 nan 0.000 0.445 380 A N -1.977 120.853 122.820 0.017 0.000 2.343 380 A HA 0.307 4.623 4.320 -0.007 0.000 0.223 380 A C 1.018 178.594 177.584 -0.015 0.000 1.214 380 A CA 0.159 52.191 52.037 -0.008 0.000 0.900 380 A CB -0.057 18.933 19.000 -0.017 0.000 0.942 380 A HN 0.564 nan 8.150 nan 0.000 0.507 381 Q N 0.616 120.418 119.800 0.002 0.000 2.235 381 Q HA 0.476 4.812 4.340 -0.007 0.000 0.250 381 Q C -0.870 175.135 176.000 0.009 0.000 0.909 381 Q CA -0.487 55.318 55.803 0.004 0.000 0.910 381 Q CB 1.359 30.106 28.738 0.014 0.000 1.223 381 Q HN 0.184 nan 8.270 nan 0.000 0.432 382 V N 4.973 124.892 119.914 0.008 0.000 2.599 382 V HA -0.090 4.026 4.120 -0.007 0.000 0.300 382 V C 1.183 177.291 176.094 0.023 0.000 1.034 382 V CA 0.401 62.710 62.300 0.017 0.000 1.115 382 V CB 0.662 32.498 31.823 0.023 0.000 0.934 382 V HN 0.906 nan 8.190 nan 0.000 0.485 383 K N 3.612 124.027 120.400 0.024 0.000 2.113 383 K HA -0.226 4.090 4.320 -0.007 0.000 0.208 383 K C 2.170 178.783 176.600 0.023 0.000 1.047 383 K CA 1.566 57.868 56.287 0.024 0.000 0.928 383 K CB -0.270 32.244 32.500 0.023 0.000 0.716 383 K HN 0.835 nan 8.250 nan 0.000 0.446 384 A N 1.496 124.330 122.820 0.023 0.000 1.883 384 A HA -0.150 4.166 4.320 -0.007 0.000 0.217 384 A C 2.119 179.718 177.584 0.026 0.000 1.186 384 A CA 1.359 53.408 52.037 0.020 0.000 0.624 384 A CB -0.612 18.402 19.000 0.022 0.000 0.822 384 A HN 0.180 nan 8.150 nan 0.000 0.444 385 L N -0.773 120.469 121.223 0.032 0.000 2.217 385 L HA -0.113 4.223 4.340 -0.007 0.000 0.211 385 L C 2.507 179.400 176.870 0.039 0.000 1.107 385 L CA 1.533 56.396 54.840 0.038 0.000 0.783 385 L CB -0.318 41.763 42.059 0.037 0.000 0.919 385 L HN 0.466 nan 8.230 nan 0.000 0.442 386 K N 0.098 120.518 120.400 0.033 0.000 2.148 386 K HA -0.186 4.130 4.320 -0.007 0.000 0.204 386 K C 2.028 178.650 176.600 0.037 0.000 1.050 386 K CA 1.227 57.534 56.287 0.033 0.000 0.942 386 K CB 0.118 32.635 32.500 0.029 0.000 0.724 386 K HN 0.407 nan 8.250 nan 0.000 0.446 387 Q N 0.109 119.930 119.800 0.036 0.000 2.062 387 Q HA -0.079 4.257 4.340 -0.007 0.000 0.196 387 Q C 2.088 178.129 176.000 0.068 0.000 0.967 387 Q CA 1.513 57.341 55.803 0.041 0.000 0.832 387 Q CB 0.114 28.867 28.738 0.025 0.000 0.899 387 Q HN 0.330 nan 8.270 nan 0.000 0.442 388 V N -2.061 117.899 119.914 0.077 0.000 3.141 388 V HA 0.163 4.279 4.120 -0.007 0.000 0.265 388 V C 1.019 177.172 176.094 0.099 0.000 1.126 388 V CA 0.940 63.321 62.300 0.135 0.000 1.141 388 V CB -0.546 31.357 31.823 0.133 0.000 0.743 388 V HN 0.171 nan 8.190 nan 0.000 0.492 389 A N 1.186 124.044 122.820 0.064 0.000 3.047 389 A HA 0.707 5.024 4.320 -0.007 0.000 0.337 389 A C 0.854 178.461 177.584 0.038 0.000 1.143 389 A CA 0.240 52.304 52.037 0.046 0.000 0.905 389 A CB -0.496 18.532 19.000 0.047 0.000 1.088 389 A HN 0.614 nan 8.150 nan 0.000 0.488 390 G N 0.601 109.417 108.800 0.026 0.000 2.778 390 G HA2 0.391 4.347 3.960 -0.007 0.000 0.287 390 G HA3 0.391 4.347 3.960 -0.007 0.000 0.287 390 G C 0.557 175.471 174.900 0.023 0.000 0.747 390 G CA 0.559 45.672 45.100 0.021 0.000 1.961 390 G HN 1.110 nan 8.290 nan 0.000 0.539 391 S N -0.006 115.718 115.700 0.040 0.000 3.614 391 S HA -0.199 4.267 4.470 -0.007 0.000 0.360 391 S C 1.531 176.183 174.600 0.086 0.000 1.023 391 S CA 0.500 58.735 58.200 0.058 0.000 1.114 391 S CB -1.194 62.039 63.200 0.056 0.000 0.907 391 S HN 0.619 nan 8.310 nan 0.000 0.470 392 L N 1.332 122.603 121.223 0.081 0.000 2.191 392 L HA 0.006 4.342 4.340 -0.007 0.000 0.212 392 L C 2.130 179.102 176.870 0.169 0.000 1.103 392 L CA 2.388 57.303 54.840 0.125 0.000 0.769 392 L CB -0.352 41.758 42.059 0.085 0.000 0.908 392 L HN 0.484 nan 8.230 nan 0.000 0.438 393 K N -0.828 119.642 120.400 0.116 0.000 2.097 393 K HA -0.150 4.166 4.320 -0.007 0.000 0.206 393 K C 1.929 178.594 176.600 0.109 0.000 1.049 393 K CA 1.449 57.798 56.287 0.102 0.000 0.933 393 K CB -0.122 32.423 32.500 0.076 0.000 0.717 393 K HN 0.386 nan 8.250 nan 0.000 0.442 394 L N 0.022 121.317 121.223 0.120 0.000 2.418 394 L HA -0.023 4.313 4.340 -0.007 0.000 0.218 394 L C 1.934 178.898 176.870 0.156 0.000 1.125 394 L CA 0.068 54.976 54.840 0.112 0.000 0.835 394 L CB -0.154 41.963 42.059 0.095 0.000 0.953 394 L HN 0.184 nan 8.230 nan 0.000 0.454 395 F N 0.462 120.438 119.950 0.043 0.000 2.179 395 F HA -0.051 4.471 4.527 -0.009 0.000 0.292 395 F C 1.962 177.818 175.800 0.094 0.000 1.089 395 F CA 1.308 59.337 58.000 0.049 0.000 1.295 395 F CB -0.040 38.969 39.000 0.016 0.000 1.041 395 F HN -0.155 nan 8.300 nan 0.000 0.487 396 L N 0.033 121.242 121.223 -0.023 0.000 2.217 396 L HA -0.037 4.299 4.340 -0.007 0.000 0.211 396 L C 2.685 179.572 176.870 0.028 0.000 1.107 396 L CA 0.876 55.686 54.840 -0.051 0.000 0.783 396 L CB -1.091 41.005 42.059 0.062 0.000 0.919 396 L HN 0.239 nan 8.230 nan 0.000 0.442 397 A N -0.597 122.243 122.820 0.034 0.000 1.969 397 A HA -0.163 4.153 4.320 -0.007 0.000 0.218 397 A C 2.218 179.806 177.584 0.006 0.000 1.169 397 A CA 1.184 53.242 52.037 0.035 0.000 0.635 397 A CB -0.154 18.873 19.000 0.045 0.000 0.810 397 A HN 0.371 nan 8.150 nan 0.000 0.445 398 Q N -2.196 117.592 119.800 -0.020 0.000 2.376 398 Q HA 0.005 4.341 4.340 -0.007 0.000 0.206 398 Q C 1.705 177.656 176.000 -0.082 0.000 0.921 398 Q CA 0.842 56.623 55.803 -0.038 0.000 0.911 398 Q CB -0.402 28.326 28.738 -0.016 0.000 1.032 398 Q HN 0.863 nan 8.270 nan 0.000 0.510 399 Y N 1.841 121.966 120.300 -0.291 0.000 2.274 399 Y HA -0.127 4.419 4.550 -0.007 0.000 0.290 399 Y C 2.164 177.975 175.900 -0.149 0.000 1.145 399 Y CA 1.406 59.306 58.100 -0.332 0.000 1.203 399 Y CB -0.022 38.105 38.460 -0.554 0.000 0.984 399 Y HN -0.066 nan 8.280 nan 0.000 0.533 400 R N 0.511 120.838 120.500 -0.287 0.000 2.241 400 R HA -0.139 4.197 4.340 -0.007 0.000 0.224 400 R C 1.728 177.906 176.300 -0.204 0.000 1.101 400 R CA 1.533 57.454 56.100 -0.298 0.000 0.995 400 R CB -0.091 30.156 30.300 -0.087 0.000 0.870 400 R HN 0.556 nan 8.270 nan 0.000 0.463 401 E N -0.769 119.362 120.200 -0.117 0.000 2.299 401 E HA -0.075 4.271 4.350 -0.007 0.000 0.193 401 E C 1.645 178.276 176.600 0.051 0.000 0.998 401 E CA 0.642 57.068 56.400 0.043 0.000 0.851 401 E CB 0.427 30.140 29.700 0.022 0.000 0.795 401 E HN 0.148 nan 8.360 nan 0.000 0.492 402 V N 0.818 120.653 119.914 -0.132 0.000 2.535 402 V HA -0.052 4.064 4.120 -0.007 0.000 0.246 402 V C 2.074 178.087 176.094 -0.134 0.000 1.045 402 V CA 1.506 63.743 62.300 -0.105 0.000 1.058 402 V CB -0.112 31.647 31.823 -0.106 0.000 0.689 402 V HN 0.230 nan 8.190 nan 0.000 0.461 403 A N -0.610 122.017 122.820 -0.321 0.000 2.238 403 A HA 0.454 4.770 4.320 -0.007 0.000 0.208 403 A C 2.015 179.516 177.584 -0.137 0.000 1.177 403 A CA 1.253 53.139 52.037 -0.252 0.000 0.804 403 A CB -0.225 18.532 19.000 -0.405 0.000 0.823 403 A HN 0.506 nan 8.150 nan 0.000 0.482 404 A N -1.525 121.238 122.820 -0.095 0.000 1.988 404 A HA 0.433 4.749 4.320 -0.007 0.000 0.201 404 A C 1.552 179.042 177.584 -0.156 0.000 1.410 404 A CA 0.378 52.336 52.037 -0.132 0.000 0.832 404 A CB -0.318 18.576 19.000 -0.175 0.000 0.981 404 A HN 0.327 nan 8.150 nan 0.000 0.492 405 F N 0.705 120.611 119.950 -0.072 0.000 2.293 405 F HA 0.087 4.614 4.527 -0.000 0.000 0.297 405 F C 2.730 178.505 175.800 -0.041 0.000 1.089 405 F CA 0.988 58.958 58.000 -0.050 0.000 1.377 405 F CB -0.138 38.834 39.000 -0.047 0.000 1.051 405 F HN 0.250 nan 8.300 nan 0.000 0.511 406 A N -0.398 122.496 122.820 0.123 0.000 1.933 406 A HA -0.142 4.174 4.320 -0.007 0.000 0.218 406 A C 1.409 179.010 177.584 0.028 0.000 1.175 406 A CA 0.963 53.037 52.037 0.062 0.000 0.628 406 A CB -0.662 18.359 19.000 0.035 0.000 0.814 406 A HN 0.372 nan 8.150 nan 0.000 0.444 412 L N 2.698 123.929 121.223 0.013 0.000 2.319 412 L HA 0.444 4.780 4.340 -0.007 0.000 0.280 412 L C 0.748 177.625 176.870 0.013 0.000 1.099 412 L CA -0.398 54.450 54.840 0.014 0.000 0.828 412 L CB 0.878 42.944 42.059 0.011 0.000 1.150 412 L HN 0.412 nan 8.230 nan 0.000 0.442 413 D N 1.588 121.997 120.400 0.015 0.000 2.539 413 D HA 0.637 5.273 4.640 -0.007 0.000 0.276 413 D C 0.331 176.639 176.300 0.013 0.000 1.206 413 D CA 0.183 54.191 54.000 0.013 0.000 1.081 413 D CB 1.704 42.513 40.800 0.015 0.000 1.142 413 D HN 0.450 nan 8.370 nan 0.000 0.595 414 A N -0.664 122.163 122.820 0.011 0.000 2.016 414 A HA 0.143 4.459 4.320 -0.007 0.000 0.202 414 A C 1.865 179.457 177.584 0.013 0.000 1.632 414 A CA 1.055 53.098 52.037 0.009 0.000 0.891 414 A CB -0.823 18.180 19.000 0.005 0.000 1.103 414 A HN 0.481 nan 8.150 nan 0.000 0.547 415 S N 0.407 116.115 115.700 0.013 0.000 2.317 415 S HA -0.136 4.330 4.470 -0.007 0.000 0.212 415 S C 2.055 176.673 174.600 0.031 0.000 1.030 415 S CA 2.084 60.294 58.200 0.017 0.000 0.970 415 S CB -1.560 61.647 63.200 0.012 0.000 0.928 415 S HN 0.748 nan 8.310 nan 0.000 0.451 416 T N -0.363 114.209 114.554 0.030 0.000 2.962 416 T HA 0.080 4.426 4.350 -0.007 0.000 0.270 416 T C 1.614 176.347 174.700 0.054 0.000 1.088 416 T CA 1.186 63.311 62.100 0.042 0.000 1.127 416 T CB -0.395 68.485 68.868 0.020 0.000 0.883 416 T HN 0.424 nan 8.240 nan 0.000 0.493 417 K N 0.110 120.536 120.400 0.044 0.000 2.418 417 K HA 0.049 4.365 4.320 -0.007 0.000 0.195 417 K C 2.469 179.104 176.600 0.059 0.000 1.035 417 K CA 0.115 56.432 56.287 0.050 0.000 1.003 417 K CB -0.024 32.496 32.500 0.034 0.000 0.793 417 K HN 0.226 nan 8.250 nan 0.000 0.494 418 Q N 0.475 120.306 119.800 0.052 0.000 2.079 418 Q HA -0.111 4.225 4.340 -0.007 0.000 0.200 418 Q C 1.778 177.821 176.000 0.072 0.000 0.974 418 Q CA 2.106 57.936 55.803 0.044 0.000 0.840 418 Q CB -0.192 28.561 28.738 0.025 0.000 0.898 418 Q HN 0.472 nan 8.270 nan 0.000 0.430 419 T N -0.900 113.724 114.554 0.116 0.000 3.007 419 T HA -0.133 4.213 4.350 -0.007 0.000 0.270 419 T C 1.874 176.700 174.700 0.210 0.000 1.107 419 T CA 0.904 63.126 62.100 0.203 0.000 1.118 419 T CB -0.304 68.749 68.868 0.308 0.000 0.889 419 T HN 0.159 nan 8.240 nan 0.000 0.506 420 L N 1.513 122.849 121.223 0.188 0.000 2.083 420 L HA 0.022 4.358 4.340 -0.007 0.000 0.209 420 L C 2.451 179.425 176.870 0.172 0.000 1.083 420 L CA 1.370 56.360 54.840 0.250 0.000 0.752 420 L CB -0.471 41.681 42.059 0.155 0.000 0.899 420 L HN 0.207 nan 8.230 nan 0.000 0.433 421 V N -0.644 119.324 119.914 0.091 0.000 2.719 421 V HA -0.110 4.006 4.120 -0.007 0.000 0.252 421 V C 2.677 178.774 176.094 0.005 0.000 1.065 421 V CA 1.068 63.392 62.300 0.039 0.000 1.086 421 V CB -0.885 30.948 31.823 0.016 0.000 0.700 421 V HN 0.375 nan 8.190 nan 0.000 0.467 422 R N 1.138 121.652 120.500 0.024 0.000 2.064 422 R HA -0.038 4.298 4.340 -0.007 0.000 0.228 422 R C 2.560 178.828 176.300 -0.054 0.000 1.144 422 R CA 1.689 57.793 56.100 0.008 0.000 0.932 422 R CB -1.370 28.989 30.300 0.098 0.000 0.833 422 R HN 0.518 nan 8.270 nan 0.000 0.429 423 G N 1.169 109.847 108.800 -0.204 0.000 2.448 423 G HA2 -0.292 3.664 3.960 -0.007 0.000 0.219 423 G HA3 -0.292 3.664 3.960 -0.007 0.000 0.219 423 G C 1.376 175.930 174.900 -0.577 0.000 1.127 423 G CA 0.721 45.355 45.100 -0.776 0.000 0.766 423 G HN 0.457 nan 8.290 nan 0.000 0.552 424 E N 0.545 120.601 120.200 -0.239 0.000 2.051 424 E HA -0.142 4.204 4.350 -0.007 0.000 0.192 424 E C 2.483 179.055 176.600 -0.046 0.000 0.991 424 E CA 0.793 57.177 56.400 -0.028 0.000 0.799 424 E CB -0.065 29.664 29.700 0.048 0.000 0.748 424 E HN 0.433 nan 8.360 nan 0.000 0.449 425 R N -0.211 120.252 120.500 -0.061 0.000 2.280 425 R HA 0.034 4.370 4.340 -0.007 0.000 0.195 425 R C 2.255 178.520 176.300 -0.059 0.000 0.935 425 R CA 0.053 56.121 56.100 -0.053 0.000 1.033 425 R CB 0.005 30.269 30.300 -0.060 0.000 0.964 425 R HN 0.187 nan 8.270 nan 0.000 0.489 426 L N 0.713 121.891 121.223 -0.074 0.000 2.095 426 L HA -0.007 4.329 4.340 -0.007 0.000 0.204 426 L C 1.751 178.599 176.870 -0.037 0.000 1.080 426 L CA 1.937 56.746 54.840 -0.052 0.000 0.759 426 L CB -0.405 41.636 42.059 -0.031 0.000 0.914 426 L HN -0.042 nan 8.230 nan 0.000 0.439 427 T N -1.021 113.498 114.554 -0.058 0.000 2.857 427 T HA -0.137 4.209 4.350 -0.007 0.000 0.266 427 T C 1.776 176.474 174.700 -0.004 0.000 1.048 427 T CA 0.952 63.042 62.100 -0.018 0.000 1.139 427 T CB -0.184 68.684 68.868 -0.000 0.000 0.874 427 T HN 0.293 nan 8.240 nan 0.000 0.455 428 Q N 0.607 120.400 119.800 -0.012 0.000 2.291 428 Q HA 0.022 4.358 4.340 -0.007 0.000 0.205 428 Q C 2.126 178.122 176.000 -0.007 0.000 0.970 428 Q CA 0.777 56.575 55.803 -0.009 0.000 0.876 428 Q CB -0.366 28.366 28.738 -0.011 0.000 0.935 428 Q HN 0.422 nan 8.270 nan 0.000 0.455 429 L N -0.058 121.161 121.223 -0.008 0.000 2.313 429 L HA -0.015 4.321 4.340 -0.007 0.000 0.214 429 L C 1.833 178.711 176.870 0.013 0.000 1.119 429 L CA 1.031 55.873 54.840 0.004 0.000 0.809 429 L CB -0.138 41.919 42.059 -0.003 0.000 0.933 429 L HN 0.145 nan 8.230 nan 0.000 0.449 430 L N -0.674 120.554 121.223 0.010 0.000 2.554 430 L HA -0.004 4.332 4.340 -0.007 0.000 0.226 430 L C 0.816 177.692 176.870 0.009 0.000 1.137 430 L CA 0.137 54.986 54.840 0.015 0.000 0.863 430 L CB -0.303 41.768 42.059 0.020 0.000 0.985 430 L HN 0.055 nan 8.230 nan 0.000 0.451 431 K N 2.126 122.527 120.400 0.001 0.000 2.062 431 K HA -0.025 4.291 4.320 -0.007 0.000 0.251 431 K C 0.074 176.667 176.600 -0.010 0.000 1.113 431 K CA 0.213 56.492 56.287 -0.012 0.000 1.096 431 K CB -0.092 32.394 32.500 -0.023 0.000 1.099 431 K HN 0.191 nan 8.250 nan 0.000 0.350 432 Q N 2.794 122.589 119.800 -0.009 0.000 2.241 432 Q HA 0.113 4.449 4.340 -0.007 0.000 0.254 432 Q C -0.319 175.667 176.000 -0.023 0.000 0.917 432 Q CA -0.767 55.031 55.803 -0.007 0.000 0.919 432 Q CB 0.900 29.638 28.738 0.000 0.000 1.237 432 Q HN 0.386 nan 8.270 nan 0.000 0.434 433 N N 2.020 120.708 118.700 -0.019 0.000 2.327 433 N HA 0.040 4.776 4.740 -0.007 0.000 0.257 433 N C -0.652 174.820 175.510 -0.064 0.000 1.281 433 N CA -0.182 52.849 53.050 -0.031 0.000 0.942 433 N CB 0.425 38.912 38.487 -0.001 0.000 1.199 433 N HN 0.606 nan 8.380 nan 0.000 0.532 434 Q N -0.358 119.375 119.800 -0.112 0.000 2.299 434 Q HA 0.101 4.437 4.340 -0.007 0.000 0.246 434 Q C -0.697 175.171 176.000 -0.220 0.000 0.935 434 Q CA -0.314 55.290 55.803 -0.332 0.000 0.887 434 Q CB 0.252 28.651 28.738 -0.565 0.000 1.223 434 Q HN 0.522 nan 8.270 nan 0.000 0.439 435 Y N 0.035 120.321 120.300 -0.023 0.000 3.589 435 Y HA -0.241 4.305 4.550 -0.006 0.000 0.218 435 Y C -0.256 175.657 175.900 0.022 0.000 1.234 435 Y CA 0.761 58.838 58.100 -0.037 0.000 1.576 435 Y CB -2.259 36.197 38.460 -0.006 0.000 1.487 435 Y HN 0.381 nan 8.280 nan 0.000 0.616 436 S N -0.328 115.426 115.700 0.090 0.000 2.327 436 S HA 0.356 4.822 4.470 -0.007 0.000 0.203 436 S C -2.291 172.343 174.600 0.056 0.000 1.326 436 S CA -0.966 57.282 58.200 0.080 0.000 1.248 436 S CB 0.886 64.121 63.200 0.059 0.000 1.199 436 S HN 0.012 nan 8.310 nan 0.000 0.422 437 P HA 0.241 nan 4.420 nan 0.000 0.269 437 P C -0.711 176.626 177.300 0.060 0.000 1.215 437 P CA -0.150 62.987 63.100 0.062 0.000 0.780 437 P CB 0.577 32.327 31.700 0.083 0.000 0.898 438 L N 0.652 121.913 121.223 0.063 0.000 2.388 438 L HA 0.677 5.013 4.340 -0.007 0.000 0.264 438 L C 0.270 177.183 176.870 0.072 0.000 0.998 438 L CA -1.332 53.542 54.840 0.056 0.000 0.817 438 L CB 2.052 44.141 42.059 0.051 0.000 1.338 438 L HN 0.341 nan 8.230 nan 0.000 0.414 439 A N 0.807 123.659 122.820 0.053 0.000 2.332 439 A HA 0.379 4.695 4.320 -0.007 0.000 0.258 439 A C 1.131 178.760 177.584 0.076 0.000 1.087 439 A CA -0.057 52.016 52.037 0.059 0.000 0.802 439 A CB 0.415 19.417 19.000 0.003 0.000 1.042 439 A HN 0.864 nan 8.150 nan 0.000 0.489 440 T N 1.001 115.615 114.554 0.100 0.000 2.720 440 T HA -0.161 4.185 4.350 -0.007 0.000 0.268 440 T C 1.585 176.325 174.700 0.066 0.000 1.037 440 T CA 1.829 63.982 62.100 0.089 0.000 1.144 440 T CB -0.242 68.688 68.868 0.103 0.000 0.864 440 T HN 0.859 nan 8.240 nan 0.000 0.444 441 E N 1.898 122.130 120.200 0.054 0.000 2.338 441 E HA -0.144 4.202 4.350 -0.007 0.000 0.197 441 E C 1.467 178.106 176.600 0.065 0.000 1.007 441 E CA 0.918 57.347 56.400 0.050 0.000 0.849 441 E CB -0.304 29.414 29.700 0.031 0.000 0.774 441 E HN 0.628 nan 8.360 nan 0.000 0.506 442 E N 0.548 120.785 120.200 0.062 0.000 2.385 442 E HA -0.010 4.336 4.350 -0.007 0.000 0.194 442 E C 1.883 178.532 176.600 0.082 0.000 1.013 442 E CA 0.263 56.708 56.400 0.074 0.000 0.866 442 E CB 0.128 29.860 29.700 0.052 0.000 0.832 442 E HN 0.381 nan 8.360 nan 0.000 0.500 443 Q N 0.389 120.232 119.800 0.072 0.000 2.297 443 Q HA -0.041 4.295 4.340 -0.007 0.000 0.203 443 Q C 2.502 178.544 176.000 0.070 0.000 0.931 443 Q CA 0.910 56.753 55.803 0.068 0.000 0.885 443 Q CB 0.223 28.998 28.738 0.060 0.000 0.991 443 Q HN 0.206 nan 8.270 nan 0.000 0.498 444 V N -0.763 119.193 119.914 0.070 0.000 2.343 444 V HA -0.119 3.997 4.120 -0.007 0.000 0.247 444 V C -0.844 175.297 176.094 0.079 0.000 1.051 444 V CA 1.126 63.465 62.300 0.066 0.000 1.036 444 V CB -2.149 29.704 31.823 0.050 0.000 0.654 444 V HN 0.163 nan 8.190 nan 0.000 0.451 445 P HA 0.007 nan 4.420 nan 0.000 0.217 445 P C 2.017 179.354 177.300 0.061 0.000 1.151 445 P CA 1.167 64.318 63.100 0.086 0.000 0.828 445 P CB -0.115 31.669 31.700 0.140 0.000 0.788 446 L N -1.004 120.257 121.223 0.064 0.000 2.083 446 L HA -0.135 4.201 4.340 -0.007 0.000 0.209 446 L C 2.153 179.051 176.870 0.046 0.000 1.083 446 L CA 1.117 55.988 54.840 0.053 0.000 0.752 446 L CB -0.846 41.251 42.059 0.064 0.000 0.899 446 L HN -0.068 nan 8.230 nan 0.000 0.433 447 I N -1.371 119.239 120.570 0.067 0.000 2.546 447 I HA -0.268 3.898 4.170 -0.007 0.000 0.255 447 I C 2.329 178.496 176.117 0.083 0.000 1.163 447 I CA 1.460 62.798 61.300 0.063 0.000 1.457 447 I CB -1.177 36.865 38.000 0.071 0.000 1.092 447 I HN 0.262 nan 8.210 nan 0.000 0.434 448 Y N 2.055 122.340 120.300 -0.025 0.000 2.475 448 Y HA 0.187 4.734 4.550 -0.005 0.000 0.289 448 Y C 2.308 178.203 175.900 -0.008 0.000 1.121 448 Y CA 0.658 58.740 58.100 -0.031 0.000 1.257 448 Y CB -0.000 38.420 38.460 -0.065 0.000 1.026 448 Y HN 0.087 nan 8.280 nan 0.000 0.555 449 A N -0.808 121.996 122.820 -0.026 0.000 2.291 449 A HA 0.337 4.653 4.320 -0.007 0.000 0.220 449 A C 1.841 179.407 177.584 -0.031 0.000 1.262 449 A CA 0.865 52.880 52.037 -0.037 0.000 0.867 449 A CB -1.130 17.800 19.000 -0.116 0.000 0.888 449 A HN 0.543 nan 8.150 nan 0.000 0.487 450 G N -1.105 107.652 108.800 -0.072 0.000 2.831 450 G HA2 0.141 4.097 3.960 -0.007 0.000 0.200 450 G HA3 0.141 4.097 3.960 -0.007 0.000 0.200 450 G C 1.270 176.050 174.900 -0.201 0.000 1.130 450 G CA 0.790 45.819 45.100 -0.117 0.000 0.678 450 G HN 0.680 nan 8.290 nan 0.000 0.795 451 V N -0.158 119.628 119.914 -0.214 0.000 2.828 451 V HA -0.054 4.062 4.120 -0.007 0.000 0.260 451 V C 1.609 177.515 176.094 -0.314 0.000 1.101 451 V CA 1.975 64.103 62.300 -0.287 0.000 1.123 451 V CB -0.446 31.259 31.823 -0.197 0.000 0.704 451 V HN 0.248 nan 8.190 nan 0.000 0.493 452 N N 0.270 118.776 118.700 -0.323 0.000 2.210 452 N HA 0.256 4.992 4.740 -0.007 0.000 0.203 452 N C 1.257 176.498 175.510 -0.449 0.000 1.175 452 N CA 0.920 53.733 53.050 -0.394 0.000 0.894 452 N CB 1.180 39.381 38.487 -0.478 0.000 1.041 452 N HN 0.758 nan 8.380 nan 0.000 0.506 453 G N 1.374 109.961 108.800 -0.356 0.000 2.470 453 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.286 453 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.286 453 G C 0.052 174.746 174.900 -0.343 0.000 1.115 453 G CA 0.045 44.974 45.100 -0.285 0.000 1.122 453 G HN 0.476 nan 8.290 nan 0.000 0.522 454 H N -0.582 118.359 119.070 -0.216 0.000 2.551 454 H HA 0.313 4.866 4.556 -0.005 0.000 0.266 454 H C 2.329 177.513 175.328 -0.241 0.000 0.964 454 H CA 0.904 56.830 56.048 -0.204 0.000 1.180 454 H CB 0.327 29.968 29.762 -0.202 0.000 1.408 454 H HN 0.472 nan 8.280 nan 0.000 0.563 455 L N 0.327 121.450 121.223 -0.167 0.000 2.818 455 L HA 0.084 4.420 4.340 -0.007 0.000 0.243 455 L C 0.711 177.480 176.870 -0.169 0.000 1.185 455 L CA -0.119 54.573 54.840 -0.248 0.000 0.988 455 L CB 0.453 42.329 42.059 -0.306 0.000 1.292 455 L HN 0.151 nan 8.230 nan 0.000 0.519 456 D N 1.056 121.373 120.400 -0.139 0.000 2.182 456 D HA -0.145 4.491 4.640 -0.007 0.000 0.201 456 D C 2.118 178.368 176.300 -0.083 0.000 0.986 456 D CA 1.478 55.414 54.000 -0.105 0.000 0.847 456 D CB 0.036 40.773 40.800 -0.106 0.000 0.942 456 D HN 0.356 nan 8.370 nan 0.000 0.467 457 G N 0.757 109.506 108.800 -0.086 0.000 2.402 457 G HA2 -0.111 3.845 3.960 -0.007 0.000 0.216 457 G HA3 -0.111 3.845 3.960 -0.007 0.000 0.216 457 G C 0.884 175.752 174.900 -0.053 0.000 1.162 457 G CA -0.026 45.038 45.100 -0.060 0.000 0.777 457 G HN 0.254 nan 8.290 nan 0.000 0.539 458 I N 1.488 122.013 120.570 -0.075 0.000 2.648 458 I HA 0.100 4.266 4.170 -0.007 0.000 0.284 458 I C 0.211 176.303 176.117 -0.042 0.000 1.153 458 I CA -0.048 61.218 61.300 -0.057 0.000 1.426 458 I CB 0.674 38.623 38.000 -0.086 0.000 1.381 458 I HN 0.212 nan 8.210 nan 0.000 0.571 459 E N 4.285 124.471 120.200 -0.023 0.000 2.314 459 E HA 0.196 4.542 4.350 -0.007 0.000 0.262 459 E C -0.415 176.177 176.600 -0.014 0.000 1.093 459 E CA -0.987 55.403 56.400 -0.016 0.000 0.908 459 E CB 1.127 30.822 29.700 -0.008 0.000 1.091 459 E HN 0.337 nan 8.360 nan 0.000 0.425 460 L N 2.711 123.928 121.223 -0.011 0.000 2.449 460 L HA -0.038 4.298 4.340 -0.007 0.000 0.266 460 L C 0.166 177.032 176.870 -0.007 0.000 1.321 460 L CA 1.060 55.894 54.840 -0.009 0.000 1.194 460 L CB -1.156 40.899 42.059 -0.007 0.000 1.384 460 L HN 0.659 nan 8.230 nan 0.000 0.438 461 S N 1.519 117.217 115.700 -0.004 0.000 3.299 461 S HA 0.152 4.618 4.470 -0.007 0.000 0.213 461 S C 1.129 175.732 174.600 0.005 0.000 0.997 461 S CA -0.520 57.679 58.200 -0.001 0.000 1.189 461 S CB -0.098 63.102 63.200 0.000 0.000 1.106 461 S HN 0.493 nan 8.310 nan 0.000 0.403 462 R N 0.889 121.397 120.500 0.012 0.000 2.546 462 R HA 0.545 4.881 4.340 -0.007 0.000 0.320 462 R C 0.901 177.226 176.300 0.042 0.000 1.021 462 R CA 0.033 56.149 56.100 0.028 0.000 1.088 462 R CB -0.099 30.223 30.300 0.036 0.000 1.278 462 R HN 0.433 nan 8.270 nan 0.000 0.557 463 I N -0.024 120.559 120.570 0.022 0.000 2.423 463 I HA -0.171 3.995 4.170 -0.007 0.000 0.254 463 I C 2.075 178.227 176.117 0.057 0.000 1.151 463 I CA 1.593 62.905 61.300 0.019 0.000 1.421 463 I CB -0.174 37.821 38.000 -0.010 0.000 1.079 463 I HN 0.309 nan 8.210 nan 0.000 0.431 464 G N -0.208 108.620 108.800 0.047 0.000 2.662 464 G HA2 -0.061 3.895 3.960 -0.007 0.000 0.212 464 G HA3 -0.061 3.895 3.960 -0.007 0.000 0.212 464 G C 1.489 176.423 174.900 0.058 0.000 1.141 464 G CA -0.081 45.049 45.100 0.050 0.000 0.797 464 G HN 0.213 nan 8.290 nan 0.000 0.531 465 E N 0.420 120.657 120.200 0.061 0.000 2.150 465 E HA -0.094 4.252 4.350 -0.007 0.000 0.193 465 E C 1.897 178.530 176.600 0.056 0.000 0.985 465 E CA 0.342 56.770 56.400 0.047 0.000 0.814 465 E CB -0.274 29.453 29.700 0.045 0.000 0.752 465 E HN 0.498 nan 8.360 nan 0.000 0.466 466 F N 2.267 122.188 119.950 -0.048 0.000 2.269 466 F HA -0.173 4.351 4.527 -0.005 0.000 0.301 466 F C 2.273 178.039 175.800 -0.057 0.000 1.082 466 F CA 1.599 59.550 58.000 -0.082 0.000 1.360 466 F CB 0.073 39.009 39.000 -0.106 0.000 1.041 466 F HN -0.004 nan 8.300 nan 0.000 0.512 467 E N 0.049 120.243 120.200 -0.009 0.000 2.051 467 E HA -0.218 4.128 4.350 -0.007 0.000 0.192 467 E C 2.263 178.798 176.600 -0.108 0.000 0.991 467 E CA 1.683 58.050 56.400 -0.056 0.000 0.799 467 E CB -0.216 29.505 29.700 0.035 0.000 0.748 467 E HN 0.510 nan 8.360 nan 0.000 0.449 468 S N -0.389 115.264 115.700 -0.079 0.000 2.428 468 S HA -0.051 4.415 4.470 -0.007 0.000 0.230 468 S C 2.135 176.664 174.600 -0.119 0.000 1.014 468 S CA 1.071 59.228 58.200 -0.072 0.000 0.957 468 S CB 0.038 63.216 63.200 -0.037 0.000 0.784 468 S HN 0.095 nan 8.310 nan 0.000 0.499 469 S N 1.194 116.779 115.700 -0.191 0.000 2.345 469 S HA 0.149 4.615 4.470 -0.007 0.000 0.219 469 S C 1.346 175.743 174.600 -0.338 0.000 1.031 469 S CA 0.909 58.965 58.200 -0.240 0.000 0.984 469 S CB -0.570 62.471 63.200 -0.265 0.000 0.874 469 S HN 0.562 nan 8.310 nan 0.000 0.451 470 F N 1.904 121.399 119.950 -0.758 0.000 2.293 470 F HA 0.065 4.588 4.527 -0.005 0.000 0.300 470 F C 1.760 177.397 175.800 -0.272 0.000 1.086 470 F CA 0.331 57.905 58.000 -0.710 0.000 1.375 470 F CB -0.218 38.121 39.000 -1.103 0.000 1.045 470 F HN 0.108 nan 8.300 nan 0.000 0.516 471 L N -0.380 120.744 121.223 -0.165 0.000 2.046 471 L HA -0.175 4.161 4.340 -0.007 0.000 0.208 471 L C 2.387 179.171 176.870 -0.143 0.000 1.077 471 L CA 2.038 56.805 54.840 -0.121 0.000 0.747 471 L CB -1.028 40.993 42.059 -0.063 0.000 0.896 471 L HN 0.010 nan 8.230 nan 0.000 0.432 472 S N -1.386 114.242 115.700 -0.120 0.000 2.382 472 S HA -0.229 4.237 4.470 -0.007 0.000 0.228 472 S C 1.822 176.382 174.600 -0.067 0.000 1.027 472 S CA 1.269 59.423 58.200 -0.076 0.000 0.991 472 S CB -0.704 62.471 63.200 -0.042 0.000 0.823 472 S HN 0.611 nan 8.310 nan 0.000 0.469 473 Y N 1.865 122.013 120.300 -0.253 0.000 2.651 473 Y HA 0.077 4.623 4.550 -0.006 0.000 0.296 473 Y C 1.356 177.109 175.900 -0.246 0.000 1.150 473 Y CA 0.599 58.560 58.100 -0.232 0.000 1.348 473 Y CB -0.295 37.986 38.460 -0.299 0.000 0.983 473 Y HN 0.183 nan 8.280 nan 0.000 0.555 474 L N -1.264 119.756 121.223 -0.339 0.000 2.609 474 L HA 0.037 4.373 4.340 -0.007 0.000 0.230 474 L C 2.150 178.911 176.870 -0.182 0.000 1.087 474 L CA -0.041 54.622 54.840 -0.295 0.000 0.874 474 L CB -0.214 41.695 42.059 -0.251 0.000 1.114 474 L HN -0.216 nan 8.230 nan 0.000 0.488 475 K N 0.830 121.142 120.400 -0.147 0.000 2.113 475 K HA -0.141 4.175 4.320 -0.007 0.000 0.208 475 K C 1.940 178.478 176.600 -0.102 0.000 1.047 475 K CA 1.998 58.223 56.287 -0.103 0.000 0.928 475 K CB -0.081 32.373 32.500 -0.077 0.000 0.716 475 K HN 0.502 nan 8.250 nan 0.000 0.446 476 S N -1.832 113.795 115.700 -0.121 0.000 3.113 476 S HA 0.077 4.543 4.470 -0.007 0.000 0.265 476 S C 1.462 175.970 174.600 -0.153 0.000 1.079 476 S CA -0.269 57.863 58.200 -0.113 0.000 0.892 476 S CB -0.222 62.932 63.200 -0.077 0.000 0.880 476 S HN 0.027 nan 8.310 nan 0.000 0.444 477 N N 1.931 120.515 118.700 -0.194 0.000 2.120 477 N HA 0.016 4.752 4.740 -0.007 0.000 0.188 477 N C 0.018 175.330 175.510 -0.330 0.000 1.024 477 N CA 1.505 54.403 53.050 -0.253 0.000 0.852 477 N CB -0.264 38.009 38.487 -0.357 0.000 1.003 477 N HN 0.555 nan 8.380 nan 0.000 0.424 478 H N -1.567 117.194 119.070 -0.516 0.000 2.439 478 H HA 0.287 4.840 4.556 -0.006 0.000 0.230 478 H C -0.028 175.152 175.328 -0.246 0.000 1.420 478 H CA -0.411 55.409 56.048 -0.380 0.000 1.305 478 H CB 0.023 29.505 29.762 -0.468 0.000 1.667 478 H HN 0.105 nan 8.280 nan 0.000 0.515 479 N N 0.114 118.726 118.700 -0.146 0.000 2.422 479 N HA -0.076 4.660 4.740 -0.007 0.000 0.181 479 N C 1.331 176.789 175.510 -0.087 0.000 1.080 479 N CA 0.515 53.502 53.050 -0.105 0.000 0.893 479 N CB 0.534 38.959 38.487 -0.102 0.000 0.973 479 N HN 0.307 nan 8.380 nan 0.000 0.456 480 E N 0.480 120.615 120.200 -0.109 0.000 2.106 480 E HA -0.105 4.241 4.350 -0.007 0.000 0.192 480 E C 1.827 178.398 176.600 -0.048 0.000 0.984 480 E CA 0.666 57.013 56.400 -0.087 0.000 0.806 480 E CB -0.185 29.444 29.700 -0.119 0.000 0.750 480 E HN 0.497 nan 8.360 nan 0.000 0.458 481 L N 0.491 121.700 121.223 -0.023 0.000 2.056 481 L HA -0.134 4.202 4.340 -0.007 0.000 0.207 481 L C 2.614 179.489 176.870 0.008 0.000 1.078 481 L CA 0.782 55.633 54.840 0.018 0.000 0.749 481 L CB -0.589 41.519 42.059 0.081 0.000 0.901 481 L HN 0.078 nan 8.230 nan 0.000 0.433 482 L N -0.612 120.607 121.223 -0.005 0.000 2.079 482 L HA -0.203 4.133 4.340 -0.007 0.000 0.210 482 L C 2.560 179.419 176.870 -0.019 0.000 1.081 482 L CA 1.559 56.392 54.840 -0.011 0.000 0.752 482 L CB -1.148 40.893 42.059 -0.030 0.000 0.896 482 L HN 0.303 nan 8.230 nan 0.000 0.433 483 T N -1.029 113.508 114.554 -0.028 0.000 2.904 483 T HA -0.109 4.237 4.350 -0.007 0.000 0.267 483 T C 1.694 176.383 174.700 -0.019 0.000 1.059 483 T CA 0.963 63.045 62.100 -0.030 0.000 1.137 483 T CB -0.070 68.776 68.868 -0.036 0.000 0.879 483 T HN 0.421 nan 8.240 nan 0.000 0.467 484 E N 0.893 121.086 120.200 -0.013 0.000 2.015 484 E HA -0.061 4.285 4.350 -0.007 0.000 0.191 484 E C 2.122 178.723 176.600 0.002 0.000 0.991 484 E CA 0.870 57.267 56.400 -0.006 0.000 0.802 484 E CB -0.127 29.571 29.700 -0.004 0.000 0.759 484 E HN 0.312 nan 8.360 nan 0.000 0.447 485 I N 1.189 121.763 120.570 0.007 0.000 2.315 485 I HA -0.205 3.961 4.170 -0.007 0.000 0.248 485 I C 2.527 178.656 176.117 0.019 0.000 1.117 485 I CA 1.167 62.477 61.300 0.016 0.000 1.404 485 I CB -0.989 37.025 38.000 0.023 0.000 1.071 485 I HN 0.132 nan 8.210 nan 0.000 0.419 486 R N 0.991 121.496 120.500 0.009 0.000 2.081 486 R HA -0.168 4.168 4.340 -0.007 0.000 0.235 486 R C 1.991 178.298 176.300 0.012 0.000 1.131 486 R CA 1.391 57.494 56.100 0.005 0.000 0.960 486 R CB 0.157 30.441 30.300 -0.026 0.000 0.856 486 R HN 0.285 nan 8.270 nan 0.000 0.436 487 E N 0.434 120.637 120.200 0.004 0.000 2.086 487 E HA -0.061 4.285 4.350 -0.007 0.000 0.190 487 E C 1.860 178.471 176.600 0.018 0.000 0.975 487 E CA 0.989 57.393 56.400 0.007 0.000 0.813 487 E CB 0.088 29.786 29.700 -0.003 0.000 0.768 487 E HN 0.381 nan 8.360 nan 0.000 0.457 488 K N -0.599 119.810 120.400 0.016 0.000 2.017 488 K HA 0.082 4.398 4.320 -0.007 0.000 0.207 488 K C 1.230 177.846 176.600 0.027 0.000 1.035 488 K CA 0.951 57.249 56.287 0.019 0.000 0.947 488 K CB 0.114 32.622 32.500 0.012 0.000 0.749 488 K HN 0.229 nan 8.250 nan 0.000 0.443 489 G N 1.655 110.471 108.800 0.027 0.000 2.131 489 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.223 489 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.223 489 G C -0.560 174.356 174.900 0.026 0.000 0.990 489 G CA -0.009 45.111 45.100 0.033 0.000 0.671 489 G HN 0.354 nan 8.290 nan 0.000 0.521 490 E N -0.575 119.637 120.200 0.019 0.000 2.308 490 E HA 0.572 4.918 4.350 -0.007 0.000 0.275 490 E C -0.271 176.333 176.600 0.006 0.000 0.890 490 E CA -0.938 55.470 56.400 0.014 0.000 0.754 490 E CB 2.068 31.777 29.700 0.015 0.000 1.207 490 E HN 0.173 nan 8.360 nan 0.000 0.426 491 L N 2.144 123.368 121.223 0.001 0.000 2.350 491 L HA 0.370 4.706 4.340 -0.007 0.000 0.275 491 L C 0.336 177.200 176.870 -0.010 0.000 1.099 491 L CA -0.157 54.676 54.840 -0.011 0.000 0.808 491 L CB 1.010 43.054 42.059 -0.025 0.000 1.149 491 L HN 0.607 nan 8.230 nan 0.000 0.442 492 S N 1.313 117.005 115.700 -0.014 0.000 2.689 492 S HA 0.440 4.906 4.470 -0.007 0.000 0.306 492 S C 0.514 175.105 174.600 -0.014 0.000 1.104 492 S CA -0.983 57.212 58.200 -0.009 0.000 0.973 492 S CB 1.967 65.163 63.200 -0.006 0.000 1.121 492 S HN 0.418 nan 8.310 nan 0.000 0.523 493 K N 0.695 121.090 120.400 -0.008 0.000 2.209 493 K HA -0.082 4.234 4.320 -0.007 0.000 0.204 493 K C 1.839 178.434 176.600 -0.007 0.000 1.048 493 K CA 1.525 57.808 56.287 -0.007 0.000 0.940 493 K CB -0.487 32.013 32.500 -0.000 0.000 0.729 493 K HN 0.836 nan 8.250 nan 0.000 0.451 494 E N 0.991 121.187 120.200 -0.006 0.000 2.031 494 E HA -0.155 4.191 4.350 -0.007 0.000 0.193 494 E C 1.745 178.341 176.600 -0.008 0.000 0.994 494 E CA 0.957 57.354 56.400 -0.005 0.000 0.800 494 E CB -0.169 29.528 29.700 -0.004 0.000 0.752 494 E HN 0.080 nan 8.360 nan 0.000 0.447 495 L N -0.028 121.186 121.223 -0.014 0.000 2.341 495 L HA 0.149 4.485 4.340 -0.007 0.000 0.214 495 L C 1.939 178.782 176.870 -0.045 0.000 1.115 495 L CA 0.754 55.582 54.840 -0.019 0.000 0.820 495 L CB -0.321 41.727 42.059 -0.018 0.000 0.944 495 L HN 0.298 nan 8.230 nan 0.000 0.452 496 L N -0.213 120.978 121.223 -0.052 0.000 2.083 496 L HA -0.093 4.243 4.340 -0.007 0.000 0.209 496 L C 2.346 179.175 176.870 -0.070 0.000 1.083 496 L CA 2.043 56.831 54.840 -0.086 0.000 0.752 496 L CB -0.659 41.367 42.059 -0.054 0.000 0.899 496 L HN 0.256 nan 8.230 nan 0.000 0.433 497 A N -2.424 120.380 122.820 -0.026 0.000 2.072 497 A HA -0.053 4.263 4.320 -0.007 0.000 0.216 497 A C 2.383 179.973 177.584 0.009 0.000 1.156 497 A CA 1.095 53.132 52.037 -0.000 0.000 0.701 497 A CB -0.556 18.451 19.000 0.010 0.000 0.816 497 A HN 0.425 nan 8.150 nan 0.000 0.458 498 S N -1.013 114.689 115.700 0.004 0.000 2.562 498 S HA 0.034 4.500 4.470 -0.007 0.000 0.221 498 S C 1.568 176.193 174.600 0.042 0.000 0.975 498 S CA 0.804 59.023 58.200 0.031 0.000 0.918 498 S CB -0.344 62.873 63.200 0.029 0.000 0.772 498 S HN 0.433 nan 8.310 nan 0.000 0.531 499 L N 1.312 122.525 121.223 -0.016 0.000 2.249 499 L HA 0.368 4.704 4.340 -0.007 0.000 0.207 499 L C 1.721 178.586 176.870 -0.009 0.000 1.090 499 L CA 1.470 56.280 54.840 -0.049 0.000 0.802 499 L CB -0.293 41.623 42.059 -0.239 0.000 0.947 499 L HN 0.070 nan 8.230 nan 0.000 0.453 500 K N -0.811 119.598 120.400 0.015 0.000 2.555 500 K HA 0.025 4.341 4.320 -0.007 0.000 0.193 500 K C 1.664 178.323 176.600 0.098 0.000 1.032 500 K CA 0.918 57.264 56.287 0.099 0.000 1.004 500 K CB -0.030 32.547 32.500 0.127 0.000 0.804 500 K HN 0.518 nan 8.250 nan 0.000 0.496 501 S N -0.146 115.611 115.700 0.095 0.000 2.591 501 S HA 0.140 4.606 4.470 -0.007 0.000 0.235 501 S C 2.254 176.932 174.600 0.129 0.000 1.074 501 S CA 0.110 58.371 58.200 0.102 0.000 0.925 501 S CB -0.004 63.255 63.200 0.099 0.000 0.818 501 S HN 0.183 nan 8.310 nan 0.000 0.535 502 A N 2.239 125.167 122.820 0.180 0.000 2.067 502 A HA 0.020 4.336 4.320 -0.007 0.000 0.219 502 A C 2.309 180.082 177.584 0.315 0.000 1.158 502 A CA 1.913 54.080 52.037 0.217 0.000 0.661 502 A CB -1.240 17.884 19.000 0.207 0.000 0.801 502 A HN 0.756 nan 8.150 nan 0.000 0.452 503 T N -3.784 110.913 114.554 0.239 0.000 3.037 503 T HA 0.111 4.457 4.350 -0.007 0.000 0.251 503 T C 1.405 176.198 174.700 0.155 0.000 1.079 503 T CA 0.993 63.214 62.100 0.203 0.000 1.067 503 T CB 0.127 69.000 68.868 0.008 0.000 0.948 503 T HN 0.345 nan 8.240 nan 0.000 0.496 504 E N 2.229 122.495 120.200 0.109 0.000 2.358 504 E HA -0.030 4.317 4.350 -0.007 0.000 0.195 504 E C 2.224 178.832 176.600 0.013 0.000 1.010 504 E CA 0.889 57.337 56.400 0.079 0.000 0.856 504 E CB -0.279 29.465 29.700 0.073 0.000 0.795 504 E HN 0.709 nan 8.360 nan 0.000 0.504 505 S N -0.830 114.825 115.700 -0.076 0.000 2.402 505 S HA -0.048 4.418 4.470 -0.007 0.000 0.229 505 S C 0.631 174.976 174.600 -0.425 0.000 1.021 505 S CA 0.381 58.385 58.200 -0.326 0.000 0.974 505 S CB -0.358 62.486 63.200 -0.594 0.000 0.800 505 S HN 0.100 nan 8.310 nan 0.000 0.484 506 F N 0.000 119.970 119.950 0.034 0.000 2.286 506 F HA 0.000 4.523 4.527 -0.007 0.000 0.279 506 F CA 0.000 58.037 58.000 0.062 0.000 1.383 506 F CB 0.000 39.145 39.000 0.243 0.000 1.145 506 F HN 0.000 nan 8.300 nan 0.000 0.574