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 2b1i_1_A DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.297 176.300 -0.006 0.000 0.893 4 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 4 R CB 0.000 30.303 30.300 0.005 0.000 0.687 5 Q N 2.691 122.486 119.800 -0.008 0.000 2.255 5 Q HA 0.054 4.416 4.340 0.036 0.000 0.280 5 Q C -0.639 175.351 176.000 -0.017 0.000 1.068 5 Q CA 0.806 56.600 55.803 -0.015 0.000 0.911 5 Q CB 0.776 29.504 28.738 -0.017 0.000 1.157 5 Q HN 0.384 nan 8.270 nan 0.000 0.380 6 Q N 3.003 122.788 119.800 -0.025 0.000 2.212 6 Q HA 0.548 4.909 4.340 0.036 0.000 0.238 6 Q C -0.754 175.218 176.000 -0.048 0.000 0.955 6 Q CA -0.751 55.034 55.803 -0.031 0.000 0.906 6 Q CB 1.241 29.960 28.738 -0.031 0.000 1.215 6 Q HN 0.645 nan 8.270 nan 0.000 0.478 7 L N 0.214 121.403 121.223 -0.056 0.000 2.319 7 L HA 0.765 5.127 4.340 0.036 0.000 0.267 7 L C -0.787 176.026 176.870 -0.095 0.000 1.011 7 L CA -1.023 53.773 54.840 -0.073 0.000 0.818 7 L CB 1.854 43.871 42.059 -0.070 0.000 1.316 7 L HN 0.588 nan 8.230 nan 0.000 0.432 8 A N 2.331 125.082 122.820 -0.116 0.000 2.285 8 A HA 0.646 4.988 4.320 0.036 0.000 0.310 8 A C -1.101 176.405 177.584 -0.130 0.000 1.266 8 A CA -0.401 51.550 52.037 -0.145 0.000 0.832 8 A CB 0.969 19.845 19.000 -0.207 0.000 1.163 8 A HN 0.520 nan 8.150 nan 0.000 0.499 9 L N 4.258 125.410 121.223 -0.118 0.000 2.276 9 L HA 0.660 5.022 4.340 0.036 0.000 0.286 9 L C -0.999 175.812 176.870 -0.098 0.000 1.061 9 L CA -0.056 54.718 54.840 -0.109 0.000 0.807 9 L CB 0.559 42.547 42.059 -0.119 0.000 1.177 9 L HN 0.566 nan 8.230 nan 0.000 0.429 10 L N 5.253 126.425 121.223 -0.085 0.000 2.376 10 L HA 0.648 5.010 4.340 0.036 0.000 0.275 10 L C -0.683 176.163 176.870 -0.040 0.000 0.987 10 L CA -0.524 54.279 54.840 -0.063 0.000 0.828 10 L CB 1.765 43.779 42.059 -0.076 0.000 1.249 10 L HN 0.763 nan 8.230 nan 0.000 0.409 11 S N 2.011 117.695 115.700 -0.027 0.000 2.609 11 S HA 0.590 5.082 4.470 0.036 0.000 0.250 11 S C -0.665 173.931 174.600 -0.006 0.000 1.112 11 S CA -0.772 57.418 58.200 -0.017 0.000 1.102 11 S CB 1.308 64.484 63.200 -0.039 0.000 1.124 11 S HN 0.431 nan 8.310 nan 0.000 0.460 12 V N -0.119 119.813 119.914 0.031 0.000 2.656 12 V HA 0.730 4.872 4.120 0.036 0.000 0.307 12 V C 0.526 176.666 176.094 0.077 0.000 1.051 12 V CA -0.601 61.731 62.300 0.054 0.000 0.893 12 V CB 1.621 33.505 31.823 0.103 0.000 0.999 12 V HN 0.597 nan 8.190 nan 0.000 0.426 13 S N 1.656 117.410 115.700 0.090 0.000 2.446 13 S HA 0.065 4.557 4.470 0.036 0.000 0.225 13 S C 0.722 175.385 174.600 0.104 0.000 1.016 13 S CA 0.923 59.205 58.200 0.137 0.000 0.943 13 S CB -0.093 63.235 63.200 0.212 0.000 0.786 13 S HN 0.951 nan 8.310 nan 0.000 0.508 14 E N 1.883 122.134 120.200 0.086 0.000 2.081 14 E HA 0.199 4.570 4.350 0.036 0.000 0.281 14 E C 0.142 176.796 176.600 0.089 0.000 0.986 14 E CA -0.234 56.208 56.400 0.070 0.000 0.796 14 E CB 0.497 30.223 29.700 0.043 0.000 1.085 14 E HN -0.145 nan 8.360 nan 0.000 0.398 15 K N 2.682 123.132 120.400 0.084 0.000 2.417 15 K HA 0.277 4.618 4.320 0.036 0.000 0.196 15 K C 0.010 176.679 176.600 0.115 0.000 1.023 15 K CA -0.074 56.273 56.287 0.100 0.000 1.122 15 K CB 0.368 32.911 32.500 0.073 0.000 0.850 15 K HN 0.425 nan 8.250 nan 0.000 0.521 16 A N 0.510 123.389 122.820 0.098 0.000 2.401 16 A HA 0.488 4.830 4.320 0.036 0.000 0.259 16 A C 1.235 178.918 177.584 0.164 0.000 1.103 16 A CA 0.589 52.677 52.037 0.084 0.000 0.789 16 A CB -0.082 18.932 19.000 0.023 0.000 1.035 16 A HN 0.484 nan 8.150 nan 0.000 0.491 17 G N 0.931 109.838 108.800 0.178 0.000 2.168 17 G HA2 -0.254 3.728 3.960 0.036 0.000 0.263 17 G HA3 -0.254 3.728 3.960 0.036 0.000 0.263 17 G C 0.734 175.897 174.900 0.439 0.000 0.977 17 G CA 0.826 46.111 45.100 0.309 0.000 0.659 17 G HN 1.315 nan 8.290 nan 0.000 0.533 18 L N 1.080 122.473 121.223 0.284 0.000 2.034 18 L HA 0.143 4.505 4.340 0.036 0.000 0.203 18 L C 3.134 180.044 176.870 0.067 0.000 1.074 18 L CA 2.714 57.629 54.840 0.126 0.000 0.748 18 L CB -0.752 41.376 42.059 0.115 0.000 0.905 18 L HN 0.683 nan 8.230 nan 0.000 0.439 19 V N -2.249 117.707 119.914 0.070 0.000 2.278 19 V HA -0.278 3.863 4.120 0.036 0.000 0.251 19 V C 2.377 178.499 176.094 0.045 0.000 1.062 19 V CA 2.057 64.382 62.300 0.042 0.000 1.038 19 V CB -1.267 30.581 31.823 0.041 0.000 0.646 19 V HN 0.459 nan 8.190 nan 0.000 0.447 20 E N -0.468 119.783 120.200 0.085 0.000 2.158 20 E HA 0.007 4.379 4.350 0.036 0.000 0.191 20 E C 1.836 178.522 176.600 0.142 0.000 0.982 20 E CA 0.929 57.385 56.400 0.094 0.000 0.823 20 E CB -0.439 29.318 29.700 0.094 0.000 0.766 20 E HN 0.674 nan 8.360 nan 0.000 0.468 21 F N 1.584 121.481 119.950 -0.088 0.000 2.128 21 F HA -0.007 4.541 4.527 0.034 0.000 0.295 21 F C 2.140 177.839 175.800 -0.169 0.000 1.100 21 F CA 1.044 58.938 58.000 -0.178 0.000 1.260 21 F CB -0.696 38.001 39.000 -0.505 0.000 1.009 21 F HN -0.018 nan 8.300 nan 0.000 0.476 22 A N 0.462 123.183 122.820 -0.165 0.000 1.902 22 A HA -0.206 4.135 4.320 0.036 0.000 0.217 22 A C 2.459 179.941 177.584 -0.171 0.000 1.181 22 A CA 1.649 53.540 52.037 -0.243 0.000 0.623 22 A CB -0.879 18.035 19.000 -0.143 0.000 0.818 22 A HN 0.407 nan 8.150 nan 0.000 0.443 23 R N 0.046 120.494 120.500 -0.086 0.000 2.103 23 R HA -0.145 4.216 4.340 0.036 0.000 0.242 23 R C 2.245 178.506 176.300 -0.065 0.000 1.142 23 R CA 2.013 58.079 56.100 -0.056 0.000 0.960 23 R CB -0.307 29.984 30.300 -0.015 0.000 0.858 23 R HN 0.527 nan 8.270 nan 0.000 0.439 24 S N 0.789 116.454 115.700 -0.058 0.000 2.383 24 S HA -0.082 4.410 4.470 0.036 0.000 0.227 24 S C 1.904 176.425 174.600 -0.132 0.000 1.026 24 S CA 0.945 59.115 58.200 -0.049 0.000 0.981 24 S CB -0.118 63.110 63.200 0.047 0.000 0.818 24 S HN 0.278 nan 8.310 nan 0.000 0.472 25 L N 1.874 122.937 121.223 -0.267 0.000 2.023 25 L HA -0.090 4.272 4.340 0.036 0.000 0.205 25 L C 2.648 179.407 176.870 -0.185 0.000 1.073 25 L CA 1.170 55.828 54.840 -0.304 0.000 0.745 25 L CB -0.706 41.062 42.059 -0.485 0.000 0.900 25 L HN 0.425 nan 8.230 nan 0.000 0.435 26 N N 0.654 119.257 118.700 -0.161 0.000 2.104 26 N HA -0.212 4.550 4.740 0.036 0.000 0.190 26 N C 1.713 177.175 175.510 -0.079 0.000 1.024 26 N CA 1.444 54.429 53.050 -0.108 0.000 0.853 26 N CB 0.116 38.547 38.487 -0.092 0.000 1.008 26 N HN 0.314 nan 8.380 nan 0.000 0.424 27 A N 0.678 123.455 122.820 -0.072 0.000 2.172 27 A HA -0.000 4.342 4.320 0.036 0.000 0.216 27 A C 2.061 179.618 177.584 -0.046 0.000 1.154 27 A CA 0.527 52.535 52.037 -0.048 0.000 0.701 27 A CB -0.288 18.691 19.000 -0.035 0.000 0.789 27 A HN 0.349 nan 8.150 nan 0.000 0.465 28 L N -1.664 119.522 121.223 -0.062 0.000 2.509 28 L HA 0.215 4.576 4.340 0.036 0.000 0.222 28 L C 1.550 178.390 176.870 -0.050 0.000 1.123 28 L CA 0.660 55.468 54.840 -0.053 0.000 0.856 28 L CB 0.012 42.031 42.059 -0.066 0.000 0.985 28 L HN 0.532 nan 8.230 nan 0.000 0.456 29 G N 0.724 109.490 108.800 -0.056 0.000 2.165 29 G HA2 -0.231 3.751 3.960 0.036 0.000 0.226 29 G HA3 -0.231 3.751 3.960 0.036 0.000 0.226 29 G C -0.168 174.698 174.900 -0.058 0.000 1.035 29 G CA -0.437 44.633 45.100 -0.049 0.000 0.744 29 G HN 0.149 nan 8.290 nan 0.000 0.501 30 L N 0.828 122.004 121.223 -0.078 0.000 2.289 30 L HA 0.651 5.013 4.340 0.036 0.000 0.285 30 L C 1.281 178.098 176.870 -0.088 0.000 1.049 30 L CA -0.443 54.343 54.840 -0.089 0.000 0.804 30 L CB 1.639 43.625 42.059 -0.122 0.000 1.195 30 L HN 0.224 nan 8.230 nan 0.000 0.428 31 G N 4.236 112.991 108.800 -0.075 0.000 2.364 31 G HA2 0.384 4.366 3.960 0.036 0.000 0.267 31 G HA3 0.384 4.366 3.960 0.036 0.000 0.267 31 G C -0.254 174.595 174.900 -0.085 0.000 1.233 31 G CA -0.543 44.516 45.100 -0.069 0.000 0.885 31 G HN 0.455 nan 8.290 nan 0.000 0.490 32 L N 3.447 124.619 121.223 -0.086 0.000 2.325 32 L HA 0.323 4.684 4.340 0.036 0.000 0.284 32 L C 0.031 176.854 176.870 -0.078 0.000 1.089 32 L CA -0.203 54.580 54.840 -0.096 0.000 0.836 32 L CB 0.339 42.341 42.059 -0.096 0.000 1.184 32 L HN 0.352 nan 8.230 nan 0.000 0.444 33 I N 2.792 123.312 120.570 -0.083 0.000 2.460 33 I HA 0.814 5.006 4.170 0.036 0.000 0.298 33 I C 0.111 176.186 176.117 -0.070 0.000 0.989 33 I CA -0.398 60.859 61.300 -0.073 0.000 1.173 33 I CB 1.838 39.789 38.000 -0.081 0.000 1.338 33 I HN 0.611 nan 8.210 nan 0.000 0.456 34 A N 3.297 126.085 122.820 -0.053 0.000 2.594 34 A HA 0.724 5.065 4.320 0.036 0.000 0.295 34 A C -0.260 177.309 177.584 -0.025 0.000 1.071 34 A CA -0.648 51.365 52.037 -0.041 0.000 0.685 34 A CB 1.413 20.394 19.000 -0.033 0.000 1.285 34 A HN 0.775 nan 8.150 nan 0.000 0.405 35 S N 0.540 116.233 115.700 -0.012 0.000 2.587 35 S HA 0.391 4.882 4.470 0.036 0.000 0.260 35 S C 1.479 176.091 174.600 0.020 0.000 1.353 35 S CA 0.122 58.329 58.200 0.012 0.000 0.995 35 S CB 0.320 63.538 63.200 0.029 0.000 0.912 35 S HN 1.948 nan 8.310 nan 0.000 0.568 36 G N 0.894 109.715 108.800 0.034 0.000 2.586 36 G HA2 -0.123 3.859 3.960 0.036 0.000 0.218 36 G HA3 -0.123 3.859 3.960 0.036 0.000 0.218 36 G C 1.411 176.330 174.900 0.032 0.000 1.216 36 G CA 0.789 45.909 45.100 0.032 0.000 0.786 36 G HN 1.033 nan 8.290 nan 0.000 0.583 37 G N -0.531 108.296 108.800 0.046 0.000 2.422 37 G HA2 -0.054 3.928 3.960 0.036 0.000 0.218 37 G HA3 -0.054 3.928 3.960 0.036 0.000 0.218 37 G C 1.853 176.776 174.900 0.038 0.000 1.140 37 G CA 1.759 46.886 45.100 0.045 0.000 0.775 37 G HN 0.431 nan 8.290 nan 0.000 0.545 38 T N 1.597 116.173 114.554 0.037 0.000 2.770 38 T HA 0.090 4.461 4.350 0.036 0.000 0.263 38 T C 2.862 177.568 174.700 0.010 0.000 1.039 38 T CA 1.333 63.449 62.100 0.026 0.000 1.142 38 T CB -0.388 68.492 68.868 0.020 0.000 0.868 38 T HN 0.349 nan 8.240 nan 0.000 0.435 39 A N 1.701 124.523 122.820 0.003 0.000 1.873 39 A HA -0.201 4.141 4.320 0.036 0.000 0.218 39 A C 2.549 180.133 177.584 0.000 0.000 1.193 39 A CA 2.427 54.461 52.037 -0.005 0.000 0.629 39 A CB -1.536 17.460 19.000 -0.007 0.000 0.826 39 A HN 0.479 nan 8.150 nan 0.000 0.447 40 T N 0.404 114.963 114.554 0.009 0.000 2.685 40 T HA -0.149 4.223 4.350 0.036 0.000 0.268 40 T C 2.150 176.857 174.700 0.011 0.000 1.034 40 T CA 1.971 64.077 62.100 0.011 0.000 1.149 40 T CB -0.572 68.305 68.868 0.017 0.000 0.860 40 T HN 0.670 nan 8.240 nan 0.000 0.449 41 A N 1.308 124.137 122.820 0.016 0.000 1.877 41 A HA -0.002 4.340 4.320 0.036 0.000 0.216 41 A C 2.309 179.899 177.584 0.011 0.000 1.186 41 A CA 1.329 53.377 52.037 0.018 0.000 0.620 41 A CB -0.818 18.200 19.000 0.028 0.000 0.822 41 A HN 0.515 nan 8.150 nan 0.000 0.443 42 L N -1.445 119.779 121.223 0.002 0.000 2.141 42 L HA -0.067 4.295 4.340 0.036 0.000 0.209 42 L C 2.696 179.559 176.870 -0.010 0.000 1.094 42 L CA 1.462 56.297 54.840 -0.009 0.000 0.763 42 L CB -0.445 41.599 42.059 -0.026 0.000 0.908 42 L HN 0.405 nan 8.230 nan 0.000 0.437 43 R N 0.307 120.802 120.500 -0.007 0.000 2.148 43 R HA -0.121 4.241 4.340 0.036 0.000 0.223 43 R C 1.530 177.828 176.300 -0.003 0.000 1.088 43 R CA 1.169 57.265 56.100 -0.007 0.000 0.985 43 R CB 0.053 30.349 30.300 -0.006 0.000 0.880 43 R HN 0.286 nan 8.270 nan 0.000 0.451 44 D N 0.055 120.456 120.400 0.002 0.000 2.269 44 D HA -0.046 4.615 4.640 0.036 0.000 0.208 44 D C 1.287 177.589 176.300 0.004 0.000 0.963 44 D CA 1.060 55.063 54.000 0.004 0.000 0.864 44 D CB 0.116 40.920 40.800 0.008 0.000 0.936 44 D HN 0.337 nan 8.370 nan 0.000 0.505 45 A N 0.017 122.839 122.820 0.003 0.000 2.169 45 A HA 0.395 4.737 4.320 0.036 0.000 0.212 45 A C 1.650 179.233 177.584 -0.001 0.000 1.153 45 A CA 0.896 52.935 52.037 0.003 0.000 0.756 45 A CB -0.233 18.770 19.000 0.003 0.000 0.813 45 A HN 0.216 nan 8.150 nan 0.000 0.471 46 G N -1.276 107.521 108.800 -0.004 0.000 2.248 46 G HA2 -0.120 3.862 3.960 0.036 0.000 0.263 46 G HA3 -0.120 3.862 3.960 0.036 0.000 0.263 46 G C -0.406 174.487 174.900 -0.012 0.000 1.082 46 G CA 0.220 45.316 45.100 -0.007 0.000 0.863 46 G HN 0.347 nan 8.290 nan 0.000 0.495 47 L N 0.885 122.099 121.223 -0.016 0.000 2.334 47 L HA 0.683 5.045 4.340 0.036 0.000 0.273 47 L C -1.724 175.129 176.870 -0.027 0.000 1.013 47 L CA -2.375 52.450 54.840 -0.025 0.000 0.816 47 L CB 1.506 43.545 42.059 -0.033 0.000 1.278 47 L HN 0.013 nan 8.230 nan 0.000 0.431 48 P HA 0.192 nan 4.420 nan 0.000 0.279 48 P C -1.006 176.270 177.300 -0.040 0.000 1.318 48 P CA -0.031 63.050 63.100 -0.032 0.000 0.819 48 P CB 1.115 32.796 31.700 -0.032 0.000 0.927 49 V N 5.456 125.349 119.914 -0.036 0.000 2.808 49 V HA 0.588 4.730 4.120 0.036 0.000 0.308 49 V C -0.715 175.359 176.094 -0.033 0.000 1.099 49 V CA -0.968 61.307 62.300 -0.041 0.000 0.920 49 V CB 2.391 34.189 31.823 -0.042 0.000 1.014 49 V HN 0.563 nan 8.190 nan 0.000 0.425 50 R N 3.300 123.778 120.500 -0.036 0.000 2.664 50 R HA 0.717 5.079 4.340 0.036 0.000 0.286 50 R C -0.933 175.346 176.300 -0.034 0.000 0.967 50 R CA -0.810 55.272 56.100 -0.031 0.000 0.933 50 R CB 1.487 31.770 30.300 -0.029 0.000 1.146 50 R HN 0.549 nan 8.270 nan 0.000 0.468 51 D N 0.987 121.370 120.400 -0.027 0.000 2.400 51 D HA -0.027 4.635 4.640 0.036 0.000 0.238 51 D C 1.220 177.496 176.300 -0.040 0.000 1.157 51 D CA -0.180 53.804 54.000 -0.027 0.000 0.889 51 D CB 1.147 41.937 40.800 -0.017 0.000 1.199 51 D HN 0.307 nan 8.370 nan 0.000 0.436 52 V N 1.557 121.443 119.914 -0.046 0.000 2.255 52 V HA -0.281 3.860 4.120 0.036 0.000 0.247 52 V C 2.337 178.376 176.094 -0.091 0.000 1.051 52 V CA 1.927 64.183 62.300 -0.074 0.000 1.018 52 V CB -0.541 31.241 31.823 -0.068 0.000 0.641 52 V HN 0.614 nan 8.190 nan 0.000 0.445 53 S N 0.546 116.205 115.700 -0.068 0.000 2.465 53 S HA -0.328 4.163 4.470 0.036 0.000 0.263 53 S C 1.586 176.157 174.600 -0.048 0.000 1.135 53 S CA 2.185 60.354 58.200 -0.052 0.000 1.118 53 S CB -0.587 62.601 63.200 -0.019 0.000 0.994 53 S HN 0.957 nan 8.310 nan 0.000 0.455 54 D N -0.578 119.798 120.400 -0.040 0.000 2.369 54 D HA 0.101 4.763 4.640 0.036 0.000 0.211 54 D C 1.574 177.862 176.300 -0.020 0.000 1.077 54 D CA -0.017 53.967 54.000 -0.027 0.000 0.842 54 D CB -0.053 40.734 40.800 -0.021 0.000 0.947 54 D HN 0.389 nan 8.370 nan 0.000 0.509 55 L N 1.088 122.289 121.223 -0.038 0.000 2.316 55 L HA -0.024 4.338 4.340 0.036 0.000 0.207 55 L C 2.509 179.367 176.870 -0.021 0.000 1.070 55 L CA 1.224 56.046 54.840 -0.029 0.000 0.820 55 L CB 0.043 42.064 42.059 -0.063 0.000 0.992 55 L HN 0.062 nan 8.230 nan 0.000 0.466 56 T N -4.186 110.328 114.554 -0.067 0.000 2.978 56 T HA 0.116 4.488 4.350 0.036 0.000 0.262 56 T C 1.501 176.250 174.700 0.082 0.000 1.063 56 T CA 0.668 62.735 62.100 -0.055 0.000 1.140 56 T CB 0.056 68.746 68.868 -0.298 0.000 0.886 56 T HN 0.433 nan 8.240 nan 0.000 0.470 57 G N 0.690 109.510 108.800 0.034 0.000 2.157 57 G HA2 -0.183 3.799 3.960 0.036 0.000 0.248 57 G HA3 -0.183 3.799 3.960 0.036 0.000 0.248 57 G C -0.126 174.753 174.900 -0.036 0.000 0.979 57 G CA -0.041 45.072 45.100 0.021 0.000 0.650 57 G HN 0.565 nan 8.290 nan 0.000 0.529 58 F N 2.086 121.966 119.950 -0.117 0.000 2.508 58 F HA 0.623 5.172 4.527 0.037 0.000 0.325 58 F C -1.730 174.017 175.800 -0.088 0.000 1.090 58 F CA -2.114 55.837 58.000 -0.082 0.000 0.945 58 F CB 2.500 41.456 39.000 -0.073 0.000 1.156 58 F HN -0.108 nan 8.300 nan 0.000 0.463 59 P HA 0.124 nan 4.420 nan 0.000 0.276 59 P C -1.150 176.267 177.300 0.195 0.000 1.252 59 P CA -0.437 62.732 63.100 0.115 0.000 0.802 59 P CB 0.750 32.494 31.700 0.073 0.000 1.035 60 E N 1.039 121.321 120.200 0.136 0.000 2.384 60 E HA 0.244 4.616 4.350 0.036 0.000 0.266 60 E C 0.268 176.955 176.600 0.144 0.000 1.012 60 E CA 0.204 56.696 56.400 0.153 0.000 0.901 60 E CB 0.247 30.014 29.700 0.112 0.000 0.967 60 E HN 0.461 nan 8.360 nan 0.000 0.435 61 M N 0.146 119.836 119.600 0.150 0.000 2.704 61 M HA 0.426 4.928 4.480 0.036 0.000 0.284 61 M C -0.720 175.639 176.300 0.098 0.000 1.275 61 M CA -0.851 54.523 55.300 0.123 0.000 0.811 61 M CB 1.523 34.212 32.600 0.148 0.000 1.741 61 M HN 0.493 nan 8.290 nan 0.000 0.458 62 L N 0.297 121.568 121.223 0.080 0.000 3.717 62 L HA -0.164 4.198 4.340 0.036 0.000 0.411 62 L C 0.681 177.589 176.870 0.065 0.000 1.233 62 L CA 0.778 55.658 54.840 0.067 0.000 0.917 62 L CB -2.611 39.486 42.059 0.064 0.000 1.902 62 L HN 1.357 nan 8.230 nan 0.000 0.894 63 G N -0.808 108.029 108.800 0.062 0.000 2.314 63 G HA2 0.120 4.102 3.960 0.036 0.000 0.292 63 G HA3 0.120 4.102 3.960 0.036 0.000 0.292 63 G C 1.172 176.114 174.900 0.070 0.000 1.059 63 G CA 0.636 45.769 45.100 0.055 0.000 0.982 63 G HN 1.960 nan 8.290 nan 0.000 0.505 64 G N -1.022 107.833 108.800 0.091 0.000 2.189 64 G HA2 -0.374 3.608 3.960 0.036 0.000 0.267 64 G HA3 -0.374 3.608 3.960 0.036 0.000 0.267 64 G C 1.214 176.209 174.900 0.158 0.000 0.975 64 G CA 1.288 46.463 45.100 0.125 0.000 0.644 64 G HN 0.965 nan 8.290 nan 0.000 0.537 65 R N -0.853 119.725 120.500 0.130 0.000 2.237 65 R HA 0.191 4.553 4.340 0.036 0.000 0.219 65 R C 0.493 176.854 176.300 0.101 0.000 1.080 65 R CA 1.239 57.420 56.100 0.134 0.000 0.995 65 R CB 0.152 30.512 30.300 0.100 0.000 0.875 65 R HN 0.353 nan 8.270 nan 0.000 0.462 66 V N 0.711 120.681 119.914 0.093 0.000 2.443 66 V HA 0.197 4.338 4.120 0.036 0.000 0.293 66 V C -0.096 176.082 176.094 0.139 0.000 1.021 66 V CA -0.468 61.869 62.300 0.062 0.000 0.848 66 V CB 1.799 33.633 31.823 0.018 0.000 0.998 66 V HN 0.113 nan 8.190 nan 0.000 0.424 67 K N 1.706 122.193 120.400 0.145 0.000 2.606 67 K HA 0.130 4.472 4.320 0.036 0.000 0.199 67 K C 1.252 178.012 176.600 0.267 0.000 1.403 67 K CA 0.785 57.186 56.287 0.190 0.000 1.011 67 K CB 0.780 33.349 32.500 0.114 0.000 1.623 67 K HN 0.700 nan 8.250 nan 0.000 0.512 68 T N -0.943 113.729 114.554 0.195 0.000 3.145 68 T HA 0.343 4.715 4.350 0.036 0.000 0.281 68 T C 0.274 175.098 174.700 0.206 0.000 1.003 68 T CA -0.371 61.860 62.100 0.219 0.000 0.901 68 T CB -0.050 68.831 68.868 0.021 0.000 1.112 68 T HN -0.097 nan 8.240 nan 0.000 0.535 69 L N 3.602 124.812 121.223 -0.022 0.000 2.391 69 L HA 0.384 4.746 4.340 0.036 0.000 0.249 69 L C -0.118 176.455 176.870 -0.496 0.000 1.308 69 L CA -0.103 54.637 54.840 -0.168 0.000 1.209 69 L CB -0.708 41.216 42.059 -0.225 0.000 1.401 69 L HN 0.379 nan 8.230 nan 0.000 0.416 70 H N 0.546 119.658 119.070 0.070 0.000 2.974 70 H HA 0.218 4.795 4.556 0.036 0.000 0.366 70 H C -1.964 173.359 175.328 -0.009 0.000 1.155 70 H CA -1.485 54.534 56.048 -0.049 0.000 1.186 70 H CB 2.199 31.900 29.762 -0.102 0.000 1.799 70 H HN -0.016 nan 8.280 nan 0.000 0.541 71 P HA -0.097 nan 4.420 nan 0.000 0.221 71 P C 1.275 178.380 177.300 -0.324 0.000 1.150 71 P CA 1.257 64.365 63.100 0.013 0.000 0.800 71 P CB 0.176 31.956 31.700 0.134 0.000 0.787 72 A N 0.270 122.680 122.820 -0.684 0.000 1.883 72 A HA -0.150 4.192 4.320 0.036 0.000 0.217 72 A C 2.477 179.661 177.584 -0.666 0.000 1.186 72 A CA 2.062 53.250 52.037 -1.415 0.000 0.624 72 A CB -1.676 16.802 19.000 -0.869 0.000 0.822 72 A HN 0.066 nan 8.150 nan 0.000 0.444 73 V N -0.397 119.307 119.914 -0.350 0.000 2.237 73 V HA -0.251 3.891 4.120 0.036 0.000 0.245 73 V C 2.475 178.377 176.094 -0.320 0.000 1.046 73 V CA 2.139 64.260 62.300 -0.299 0.000 1.007 73 V CB -1.019 30.645 31.823 -0.266 0.000 0.638 73 V HN 0.665 nan 8.190 nan 0.000 0.445 74 H N -0.189 118.805 119.070 -0.126 0.000 2.395 74 H HA 0.005 4.583 4.556 0.035 0.000 0.299 74 H C 2.352 177.645 175.328 -0.057 0.000 1.070 74 H CA 1.566 57.568 56.048 -0.076 0.000 1.356 74 H CB -0.259 29.471 29.762 -0.053 0.000 1.401 74 H HN 0.461 nan 8.280 nan 0.000 0.524 75 A N 0.924 123.760 122.820 0.026 0.000 1.902 75 A HA -0.105 4.237 4.320 0.036 0.000 0.217 75 A C 2.817 180.419 177.584 0.031 0.000 1.181 75 A CA 1.580 53.659 52.037 0.070 0.000 0.623 75 A CB -1.155 17.962 19.000 0.196 0.000 0.818 75 A HN 0.455 nan 8.150 nan 0.000 0.443 76 G N -0.232 108.530 108.800 -0.063 0.000 2.450 76 G HA2 -0.165 3.816 3.960 0.036 0.000 0.220 76 G HA3 -0.165 3.816 3.960 0.036 0.000 0.220 76 G C 1.477 176.349 174.900 -0.047 0.000 1.130 76 G CA 1.185 46.255 45.100 -0.050 0.000 0.760 76 G HN 0.500 nan 8.290 nan 0.000 0.557 77 I N -0.249 120.282 120.570 -0.065 0.000 2.333 77 I HA 0.052 4.244 4.170 0.036 0.000 0.246 77 I C 2.355 178.470 176.117 -0.004 0.000 1.106 77 I CA 0.603 61.873 61.300 -0.050 0.000 1.411 77 I CB -0.003 37.947 38.000 -0.083 0.000 1.082 77 I HN 0.073 nan 8.210 nan 0.000 0.420 78 L N 0.543 121.782 121.223 0.027 0.000 2.509 78 L HA 0.214 4.576 4.340 0.036 0.000 0.222 78 L C 1.264 178.154 176.870 0.035 0.000 1.123 78 L CA -0.410 54.456 54.840 0.043 0.000 0.856 78 L CB -0.235 41.866 42.059 0.070 0.000 0.985 78 L HN 0.092 nan 8.230 nan 0.000 0.456 79 A N 0.849 123.690 122.820 0.036 0.000 2.488 79 A HA 0.344 4.686 4.320 0.036 0.000 0.249 79 A C 0.084 177.676 177.584 0.015 0.000 1.083 79 A CA -0.052 52.006 52.037 0.035 0.000 0.768 79 A CB 0.070 19.099 19.000 0.049 0.000 1.017 79 A HN 0.232 nan 8.150 nan 0.000 0.496 80 R N 1.417 121.923 120.500 0.010 0.000 2.573 80 R HA 0.280 4.641 4.340 0.036 0.000 0.272 80 R C 0.167 176.468 176.300 0.000 0.000 1.009 80 R CA -0.648 55.451 56.100 -0.003 0.000 1.059 80 R CB 0.402 30.698 30.300 -0.007 0.000 1.112 80 R HN 0.704 nan 8.270 nan 0.000 0.517 81 N N 2.174 120.871 118.700 -0.006 0.000 3.103 81 N HA 0.102 4.863 4.740 0.036 0.000 0.305 81 N C -1.096 174.413 175.510 -0.002 0.000 1.232 81 N CA -0.090 52.958 53.050 -0.003 0.000 1.190 81 N CB -0.507 37.976 38.487 -0.006 0.000 1.461 81 N HN 0.494 nan 8.380 nan 0.000 0.538 82 I N -2.603 117.967 120.570 0.001 0.000 2.730 82 I HA 0.580 4.772 4.170 0.036 0.000 0.298 82 I C -1.833 174.286 176.117 0.003 0.000 1.089 82 I CA -2.256 59.044 61.300 0.001 0.000 1.041 82 I CB 2.416 40.416 38.000 0.001 0.000 1.235 82 I HN -0.167 nan 8.210 nan 0.000 0.423 83 P HA -0.222 nan 4.420 nan 0.000 0.215 83 P C 1.019 178.320 177.300 0.002 0.000 1.163 83 P CA 1.833 64.933 63.100 0.001 0.000 0.894 83 P CB 0.116 31.816 31.700 -0.000 0.000 0.791 84 E N -0.416 119.785 120.200 0.003 0.000 2.160 84 E HA -0.178 4.194 4.350 0.036 0.000 0.195 84 E C 1.785 178.390 176.600 0.008 0.000 0.991 84 E CA 1.421 57.824 56.400 0.004 0.000 0.810 84 E CB -0.713 28.991 29.700 0.005 0.000 0.742 84 E HN 0.314 nan 8.360 nan 0.000 0.466 85 D N -0.241 120.166 120.400 0.012 0.000 2.137 85 D HA -0.026 4.636 4.640 0.036 0.000 0.202 85 D C 1.374 177.686 176.300 0.021 0.000 0.970 85 D CA 0.783 54.795 54.000 0.021 0.000 0.837 85 D CB -0.248 40.565 40.800 0.022 0.000 0.981 85 D HN 0.198 nan 8.370 nan 0.000 0.475 86 N N 0.499 119.206 118.700 0.013 0.000 2.104 86 N HA -0.173 4.589 4.740 0.036 0.000 0.190 86 N C 1.766 177.276 175.510 0.001 0.000 1.024 86 N CA 1.126 54.181 53.050 0.009 0.000 0.853 86 N CB -0.015 38.475 38.487 0.004 0.000 1.008 86 N HN 0.078 nan 8.380 nan 0.000 0.424 87 A N 1.736 124.554 122.820 -0.003 0.000 1.851 87 A HA -0.214 4.128 4.320 0.036 0.000 0.216 87 A C 1.767 179.339 177.584 -0.021 0.000 1.195 87 A CA 1.763 53.793 52.037 -0.012 0.000 0.622 87 A CB -0.617 18.377 19.000 -0.010 0.000 0.831 87 A HN 0.126 nan 8.150 nan 0.000 0.444 88 D N -0.529 119.865 120.400 -0.010 0.000 2.133 88 D HA -0.181 4.480 4.640 0.036 0.000 0.192 88 D C 1.967 178.245 176.300 -0.037 0.000 1.001 88 D CA 1.492 55.484 54.000 -0.013 0.000 0.844 88 D CB -0.298 40.512 40.800 0.018 0.000 0.944 88 D HN 0.282 nan 8.370 nan 0.000 0.447 89 M N 0.190 119.788 119.600 -0.003 0.000 2.175 89 M HA -0.067 4.434 4.480 0.036 0.000 0.264 89 M C 1.801 178.055 176.300 -0.078 0.000 1.063 89 M CA 0.917 56.224 55.300 0.012 0.000 1.119 89 M CB -1.022 31.625 32.600 0.078 0.000 1.377 89 M HN 0.121 nan 8.290 nan 0.000 0.415 90 N N 0.057 118.722 118.700 -0.059 0.000 2.106 90 N HA -0.183 4.579 4.740 0.036 0.000 0.188 90 N C 1.559 176.999 175.510 -0.118 0.000 1.029 90 N CA 0.850 53.858 53.050 -0.070 0.000 0.848 90 N CB -0.061 38.402 38.487 -0.040 0.000 1.007 90 N HN 0.096 nan 8.380 nan 0.000 0.423 91 K N 1.182 121.509 120.400 -0.121 0.000 2.442 91 K HA -0.087 4.255 4.320 0.036 0.000 0.199 91 K C 1.228 177.699 176.600 -0.216 0.000 1.044 91 K CA 1.121 57.330 56.287 -0.131 0.000 0.941 91 K CB 0.209 32.652 32.500 -0.096 0.000 0.759 91 K HN 0.235 nan 8.250 nan 0.000 0.472 92 Q N -0.559 119.013 119.800 -0.380 0.000 2.246 92 Q HA 0.039 4.401 4.340 0.036 0.000 0.222 92 Q C -0.433 175.197 176.000 -0.616 0.000 0.851 92 Q CA 0.123 55.510 55.803 -0.694 0.000 0.945 92 Q CB 0.597 28.441 28.738 -1.490 0.000 1.122 92 Q HN 0.213 nan 8.270 nan 0.000 0.508 93 D N 0.738 120.945 120.400 -0.323 0.000 2.735 93 D HA -0.178 4.484 4.640 0.036 0.000 0.235 93 D C -1.449 174.881 176.300 0.050 0.000 1.175 93 D CA 0.454 54.387 54.000 -0.112 0.000 0.683 93 D CB -0.996 39.774 40.800 -0.050 0.000 1.008 93 D HN -0.010 nan 8.370 nan 0.000 0.416 94 F N 0.407 120.360 119.950 0.004 0.000 2.420 94 F HA 0.397 4.945 4.527 0.036 0.000 0.342 94 F C 1.181 176.978 175.800 -0.006 0.000 1.113 94 F CA -1.214 56.787 58.000 0.002 0.000 1.059 94 F CB 1.560 40.565 39.000 0.008 0.000 1.128 94 F HN -0.243 nan 8.300 nan 0.000 0.475 95 S N 3.529 119.337 115.700 0.181 0.000 2.584 95 S HA 0.493 4.985 4.470 0.036 0.000 0.273 95 S C -0.031 174.597 174.600 0.047 0.000 1.311 95 S CA -0.768 57.480 58.200 0.080 0.000 1.034 95 S CB 0.742 63.962 63.200 0.034 0.000 0.939 95 S HN 0.370 nan 8.310 nan 0.000 0.513 96 L N 2.494 123.734 121.223 0.028 0.000 2.410 96 L HA 0.201 4.562 4.340 0.036 0.000 0.273 96 L C -0.360 176.495 176.870 -0.026 0.000 1.152 96 L CA -0.569 54.273 54.840 0.004 0.000 0.855 96 L CB 0.147 42.208 42.059 0.003 0.000 1.129 96 L HN 0.341 nan 8.230 nan 0.000 0.463 97 V N 4.930 124.817 119.914 -0.045 0.000 2.432 97 V HA 0.126 4.268 4.120 0.036 0.000 0.271 97 V C 1.132 177.192 176.094 -0.055 0.000 1.046 97 V CA -0.180 62.081 62.300 -0.065 0.000 0.945 97 V CB 1.107 32.874 31.823 -0.092 0.000 0.992 97 V HN 0.796 nan 8.190 nan 0.000 0.471 98 R N 3.918 124.383 120.500 -0.058 0.000 2.156 98 R HA 0.213 4.575 4.340 0.036 0.000 0.207 98 R C -0.112 176.156 176.300 -0.054 0.000 1.040 98 R CA 0.568 56.638 56.100 -0.050 0.000 1.013 98 R CB 0.579 30.850 30.300 -0.049 0.000 0.931 98 R HN 0.556 nan 8.270 nan 0.000 0.465 99 V N 1.566 121.436 119.914 -0.073 0.000 2.638 99 V HA 0.371 4.513 4.120 0.036 0.000 0.306 99 V C -0.856 175.191 176.094 -0.077 0.000 1.052 99 V CA -0.877 61.381 62.300 -0.070 0.000 0.885 99 V CB 2.064 33.824 31.823 -0.105 0.000 0.999 99 V HN -0.174 nan 8.190 nan 0.000 0.424 100 V N 5.072 124.955 119.914 -0.053 0.000 2.378 100 V HA 0.487 4.629 4.120 0.036 0.000 0.288 100 V C -0.382 175.703 176.094 -0.016 0.000 1.016 100 V CA -0.539 61.726 62.300 -0.059 0.000 0.840 100 V CB 1.901 33.678 31.823 -0.077 0.000 0.994 100 V HN 0.621 nan 8.190 nan 0.000 0.431 101 V N 4.549 124.457 119.914 -0.009 0.000 2.326 101 V HA 0.486 4.628 4.120 0.036 0.000 0.281 101 V C -0.308 175.801 176.094 0.026 0.000 1.015 101 V CA -0.353 61.986 62.300 0.064 0.000 0.823 101 V CB 1.358 33.238 31.823 0.097 0.000 1.009 101 V HN 0.981 nan 8.190 nan 0.000 0.436 102 C N 6.216 125.520 119.300 0.007 0.000 2.608 102 C HA 0.840 5.321 4.460 0.036 0.000 0.325 102 C C -0.788 174.164 174.990 -0.062 0.000 1.147 102 C CA -0.517 58.478 59.018 -0.038 0.000 1.359 102 C CB 1.228 28.919 27.740 -0.082 0.000 1.912 102 C HN 1.077 nan 8.230 nan 0.000 0.466 103 N N 4.629 123.300 118.700 -0.048 0.000 2.262 103 N HA 0.737 5.498 4.740 0.036 0.000 0.295 103 N C -1.456 174.018 175.510 -0.061 0.000 1.161 103 N CA -0.823 52.186 53.050 -0.069 0.000 0.767 103 N CB 0.887 39.348 38.487 -0.043 0.000 1.499 103 N HN 0.616 nan 8.380 nan 0.000 0.476 104 L N 0.629 121.812 121.223 -0.068 0.000 2.399 104 L HA 0.429 4.791 4.340 0.036 0.000 0.265 104 L C -0.159 176.729 176.870 0.031 0.000 1.089 104 L CA -1.176 53.548 54.840 -0.193 0.000 0.802 104 L CB 0.305 42.012 42.059 -0.586 0.000 1.180 104 L HN 0.531 nan 8.230 nan 0.000 0.454 105 Y N 1.726 122.077 120.300 0.086 0.000 2.895 105 Y HA -0.033 4.540 4.550 0.037 0.000 0.334 105 Y C -1.646 174.417 175.900 0.272 0.000 1.261 105 Y CA -2.021 56.180 58.100 0.168 0.000 1.560 105 Y CB -0.716 37.859 38.460 0.192 0.000 1.253 105 Y HN 0.274 nan 8.280 nan 0.000 0.582 106 P HA -0.014 nan 4.420 nan 0.000 0.237 106 P C 0.604 178.031 177.300 0.212 0.000 1.788 106 P CA 0.148 63.404 63.100 0.259 0.000 1.061 106 P CB -0.647 31.138 31.700 0.141 0.000 1.967 107 F N 2.899 122.933 119.950 0.139 0.000 2.113 107 F HA -0.205 4.344 4.527 0.037 0.000 0.297 107 F C 1.928 177.636 175.800 -0.154 0.000 1.103 107 F CA 1.533 59.483 58.000 -0.083 0.000 1.248 107 F CB -0.430 38.395 39.000 -0.292 0.000 0.999 107 F HN -0.105 nan 8.300 nan 0.000 0.475 108 V N 0.829 120.790 119.914 0.078 0.000 2.295 108 V HA -0.334 3.808 4.120 0.036 0.000 0.246 108 V C 2.402 178.427 176.094 -0.115 0.000 1.049 108 V CA 2.326 64.604 62.300 -0.036 0.000 1.024 108 V CB -0.829 31.034 31.823 0.067 0.000 0.648 108 V HN 0.294 nan 8.190 nan 0.000 0.447 109 K N 0.314 120.687 120.400 -0.045 0.000 2.103 109 K HA -0.171 4.171 4.320 0.036 0.000 0.207 109 K C 1.989 178.514 176.600 -0.124 0.000 1.048 109 K CA 2.271 58.524 56.287 -0.056 0.000 0.930 109 K CB -0.690 31.807 32.500 -0.006 0.000 0.716 109 K HN 0.511 nan 8.250 nan 0.000 0.444 110 T N 0.159 114.596 114.554 -0.195 0.000 2.732 110 T HA -0.086 4.286 4.350 0.036 0.000 0.261 110 T C 1.712 176.206 174.700 -0.344 0.000 1.040 110 T CA 1.533 63.482 62.100 -0.251 0.000 1.145 110 T CB -0.339 68.361 68.868 -0.280 0.000 0.866 110 T HN 0.220 nan 8.240 nan 0.000 0.427 111 V N 1.688 121.258 119.914 -0.572 0.000 2.970 111 V HA -0.059 4.083 4.120 0.036 0.000 0.260 111 V C 2.430 178.367 176.094 -0.260 0.000 1.100 111 V CA 1.616 63.582 62.300 -0.557 0.000 1.122 111 V CB -1.307 29.918 31.823 -0.997 0.000 0.721 111 V HN 0.557 nan 8.190 nan 0.000 0.483 112 S N 0.241 115.817 115.700 -0.206 0.000 2.428 112 S HA -0.006 4.485 4.470 0.036 0.000 0.230 112 S C 1.278 175.827 174.600 -0.086 0.000 1.014 112 S CA 0.750 58.883 58.200 -0.112 0.000 0.957 112 S CB -0.734 62.416 63.200 -0.083 0.000 0.784 112 S HN 0.594 nan 8.310 nan 0.000 0.499 113 S N 3.993 119.632 115.700 -0.102 0.000 2.566 113 S HA 0.161 4.653 4.470 0.036 0.000 0.280 113 S C -0.929 173.636 174.600 -0.059 0.000 1.343 113 S CA -0.623 57.533 58.200 -0.074 0.000 1.036 113 S CB 0.685 63.836 63.200 -0.082 0.000 0.866 113 S HN 0.426 nan 8.310 nan 0.000 0.526 114 P HA -0.075 nan 4.420 nan 0.000 0.208 114 P C 1.016 178.300 177.300 -0.026 0.000 1.195 114 P CA 1.347 64.429 63.100 -0.029 0.000 0.927 114 P CB -0.292 31.395 31.700 -0.021 0.000 0.778 115 G N 0.292 109.077 108.800 -0.024 0.000 3.496 115 G HA2 0.195 4.177 3.960 0.036 0.000 0.273 115 G HA3 0.195 4.177 3.960 0.036 0.000 0.273 115 G C 0.113 175.001 174.900 -0.019 0.000 1.279 115 G CA -0.260 44.830 45.100 -0.017 0.000 1.041 115 G HN 0.290 nan 8.290 nan 0.000 0.539 116 V N 2.373 122.267 119.914 -0.033 0.000 2.617 116 V HA 0.326 4.467 4.120 0.036 0.000 0.304 116 V C 0.985 177.076 176.094 -0.005 0.000 1.040 116 V CA 0.540 62.810 62.300 -0.049 0.000 1.149 116 V CB 0.590 32.345 31.823 -0.113 0.000 0.914 116 V HN 0.480 nan 8.190 nan 0.000 0.487 117 T N 3.594 118.148 114.554 -0.000 0.000 2.927 117 T HA 0.412 4.784 4.350 0.036 0.000 0.281 117 T C 1.105 175.857 174.700 0.087 0.000 0.998 117 T CA -0.166 61.962 62.100 0.047 0.000 1.019 117 T CB 1.580 70.472 68.868 0.040 0.000 1.061 117 T HN 0.379 nan 8.240 nan 0.000 0.518 118 V N 2.139 122.150 119.914 0.160 0.000 2.255 118 V HA -0.089 4.053 4.120 0.036 0.000 0.247 118 V C -0.302 175.911 176.094 0.199 0.000 1.051 118 V CA 1.775 64.230 62.300 0.258 0.000 1.018 118 V CB -1.832 30.197 31.823 0.343 0.000 0.641 118 V HN 0.796 nan 8.190 nan 0.000 0.445 119 P HA -0.193 nan 4.420 nan 0.000 0.216 119 P C 1.498 178.834 177.300 0.060 0.000 1.153 119 P CA 1.605 64.769 63.100 0.106 0.000 0.858 119 P CB -0.017 31.728 31.700 0.075 0.000 0.789 120 E N -0.393 119.817 120.200 0.017 0.000 2.150 120 E HA -0.087 4.285 4.350 0.036 0.000 0.193 120 E C 2.187 178.733 176.600 -0.090 0.000 0.985 120 E CA 1.047 57.423 56.400 -0.040 0.000 0.814 120 E CB -0.385 29.277 29.700 -0.063 0.000 0.752 120 E HN 0.191 nan 8.360 nan 0.000 0.466 121 A N 0.826 123.570 122.820 -0.127 0.000 1.854 121 A HA -0.113 4.228 4.320 0.036 0.000 0.214 121 A C 2.493 180.112 177.584 0.059 0.000 1.192 121 A CA 0.948 52.809 52.037 -0.294 0.000 0.611 121 A CB -0.710 17.887 19.000 -0.672 0.000 0.832 121 A HN 0.100 nan 8.150 nan 0.000 0.442 122 V N 0.301 120.331 119.914 0.193 0.000 2.282 122 V HA -0.266 3.876 4.120 0.036 0.000 0.249 122 V C 2.540 178.753 176.094 0.199 0.000 1.057 122 V CA 2.440 64.915 62.300 0.292 0.000 1.032 122 V CB -0.860 31.133 31.823 0.284 0.000 0.645 122 V HN 0.521 nan 8.190 nan 0.000 0.447 123 E N -0.104 120.163 120.200 0.111 0.000 2.265 123 E HA -0.133 4.239 4.350 0.036 0.000 0.196 123 E C 1.934 178.543 176.600 0.015 0.000 0.996 123 E CA 0.794 57.221 56.400 0.045 0.000 0.832 123 E CB -0.145 29.546 29.700 -0.016 0.000 0.756 123 E HN 0.408 nan 8.360 nan 0.000 0.491 124 K N -0.101 120.361 120.400 0.102 0.000 2.387 124 K HA 0.193 4.535 4.320 0.036 0.000 0.198 124 K C 0.117 177.013 176.600 0.492 0.000 1.022 124 K CA -0.125 56.286 56.287 0.206 0.000 1.128 124 K CB 0.383 32.958 32.500 0.125 0.000 0.853 124 K HN 0.177 nan 8.250 nan 0.000 0.523 125 I N 2.589 123.397 120.570 0.396 0.000 2.406 125 I HA -0.022 4.169 4.170 0.036 0.000 0.293 125 I C 0.453 176.807 176.117 0.395 0.000 1.101 125 I CA -0.127 61.338 61.300 0.275 0.000 1.334 125 I CB 0.209 38.296 38.000 0.145 0.000 1.421 125 I HN -0.121 nan 8.210 nan 0.000 0.513 126 D N 7.250 127.919 120.400 0.448 0.000 2.343 126 D HA 0.106 4.768 4.640 0.036 0.000 0.255 126 D C 0.724 177.078 176.300 0.090 0.000 1.187 126 D CA -0.039 54.033 54.000 0.120 0.000 0.875 126 D CB 1.247 41.959 40.800 -0.147 0.000 1.136 126 D HN 0.336 nan 8.370 nan 0.000 0.469 127 I N 2.967 123.559 120.570 0.036 0.000 2.685 127 I HA 0.034 4.226 4.170 0.036 0.000 0.251 127 I C 2.315 178.424 176.117 -0.013 0.000 1.102 127 I CA 0.451 61.769 61.300 0.030 0.000 1.442 127 I CB -1.292 36.734 38.000 0.044 0.000 1.194 127 I HN 0.466 nan 8.210 nan 0.000 0.448 128 G N 1.082 109.860 108.800 -0.037 0.000 2.404 128 G HA2 -0.153 3.828 3.960 0.036 0.000 0.215 128 G HA3 -0.153 3.828 3.960 0.036 0.000 0.215 128 G C 1.688 176.565 174.900 -0.039 0.000 1.174 128 G CA 0.889 45.980 45.100 -0.015 0.000 0.780 128 G HN 0.457 nan 8.290 nan 0.000 0.537 129 G N 0.379 109.098 108.800 -0.135 0.000 2.422 129 G HA2 -0.120 3.861 3.960 0.036 0.000 0.218 129 G HA3 -0.120 3.861 3.960 0.036 0.000 0.218 129 G C 1.789 176.618 174.900 -0.118 0.000 1.146 129 G CA 1.160 46.169 45.100 -0.151 0.000 0.769 129 G HN 0.312 nan 8.290 nan 0.000 0.547 130 V N 1.726 121.568 119.914 -0.119 0.000 2.255 130 V HA -0.218 3.924 4.120 0.036 0.000 0.247 130 V C 3.363 179.456 176.094 -0.001 0.000 1.051 130 V CA 2.215 64.475 62.300 -0.066 0.000 1.018 130 V CB -1.038 30.775 31.823 -0.016 0.000 0.641 130 V HN 0.485 nan 8.190 nan 0.000 0.445 131 A N -0.242 122.597 122.820 0.032 0.000 1.883 131 A HA -0.206 4.135 4.320 0.036 0.000 0.217 131 A C 2.217 179.912 177.584 0.184 0.000 1.186 131 A CA 2.133 54.234 52.037 0.106 0.000 0.624 131 A CB -0.620 18.445 19.000 0.108 0.000 0.822 131 A HN 0.517 nan 8.150 nan 0.000 0.444 132 L N -0.849 120.431 121.223 0.095 0.000 1.989 132 L HA -0.238 4.124 4.340 0.036 0.000 0.211 132 L C 2.646 179.482 176.870 -0.056 0.000 1.071 132 L CA 1.583 56.405 54.840 -0.030 0.000 0.749 132 L CB -0.765 41.235 42.059 -0.098 0.000 0.890 132 L HN 0.381 nan 8.230 nan 0.000 0.431 133 L N -0.815 120.362 121.223 -0.077 0.000 2.083 133 L HA -0.186 4.176 4.340 0.036 0.000 0.209 133 L C 2.857 179.610 176.870 -0.195 0.000 1.083 133 L CA 1.237 55.999 54.840 -0.130 0.000 0.752 133 L CB -0.514 41.472 42.059 -0.122 0.000 0.899 133 L HN 0.195 nan 8.230 nan 0.000 0.433 134 R N -0.074 120.364 120.500 -0.103 0.000 2.066 134 R HA -0.080 4.282 4.340 0.036 0.000 0.232 134 R C 2.509 178.790 176.300 -0.031 0.000 1.131 134 R CA 1.227 57.276 56.100 -0.085 0.000 0.955 134 R CB -0.549 29.836 30.300 0.143 0.000 0.851 134 R HN 0.338 nan 8.270 nan 0.000 0.432 135 A N 1.544 124.393 122.820 0.049 0.000 1.883 135 A HA -0.194 4.148 4.320 0.036 0.000 0.217 135 A C 2.405 180.002 177.584 0.022 0.000 1.186 135 A CA 1.985 54.076 52.037 0.090 0.000 0.624 135 A CB -0.792 18.318 19.000 0.184 0.000 0.822 135 A HN 0.419 nan 8.150 nan 0.000 0.444 136 A N -0.319 122.474 122.820 -0.045 0.000 1.877 136 A HA 0.159 4.501 4.320 0.036 0.000 0.216 136 A C 2.545 180.083 177.584 -0.077 0.000 1.186 136 A CA 2.276 54.274 52.037 -0.064 0.000 0.620 136 A CB -1.138 17.809 19.000 -0.089 0.000 0.822 136 A HN 1.158 nan 8.150 nan 0.000 0.443 137 A N -0.207 122.470 122.820 -0.239 0.000 1.933 137 A HA -0.189 4.153 4.320 0.036 0.000 0.218 137 A C 2.139 179.734 177.584 0.018 0.000 1.175 137 A CA 2.068 53.874 52.037 -0.384 0.000 0.628 137 A CB -0.479 17.794 19.000 -1.212 0.000 0.814 137 A HN 0.590 nan 8.150 nan 0.000 0.444 138 K N -0.508 119.978 120.400 0.143 0.000 2.057 138 K HA -0.181 4.161 4.320 0.036 0.000 0.207 138 K C 0.881 177.611 176.600 0.216 0.000 1.049 138 K CA 1.657 58.188 56.287 0.407 0.000 0.931 138 K CB -0.181 32.513 32.500 0.324 0.000 0.714 138 K HN 0.376 nan 8.250 nan 0.000 0.440 139 N N 1.085 119.840 118.700 0.092 0.000 2.466 139 N HA -0.035 4.727 4.740 0.036 0.000 0.251 139 N C 0.755 176.235 175.510 -0.049 0.000 1.164 139 N CA -0.100 52.943 53.050 -0.013 0.000 0.888 139 N CB -0.063 38.424 38.487 -0.001 0.000 1.177 139 N HN 0.359 nan 8.380 nan 0.000 0.498 140 H N -1.750 117.331 119.070 0.018 0.000 2.521 140 H HA 0.033 4.605 4.556 0.027 0.000 0.286 140 H C 1.423 176.752 175.328 0.003 0.000 1.034 140 H CA 0.988 57.034 56.048 -0.003 0.000 1.278 140 H CB -0.170 29.596 29.762 0.007 0.000 1.386 140 H HN 0.221 nan 8.280 nan 0.000 0.567 141 A N 1.410 123.959 122.820 -0.452 0.000 2.032 141 A HA -0.194 4.148 4.320 0.036 0.000 0.221 141 A C 2.514 180.045 177.584 -0.088 0.000 1.165 141 A CA 1.965 53.859 52.037 -0.237 0.000 0.645 141 A CB -0.521 18.341 19.000 -0.230 0.000 0.807 141 A HN 0.520 nan 8.150 nan 0.000 0.453 142 R N -2.381 118.077 120.500 -0.069 0.000 2.551 142 R HA 0.223 4.585 4.340 0.036 0.000 0.202 142 R C -0.701 175.586 176.300 -0.021 0.000 0.861 142 R CA 0.344 56.423 56.100 -0.036 0.000 1.018 142 R CB 0.730 31.009 30.300 -0.035 0.000 1.435 142 R HN 0.193 nan 8.270 nan 0.000 0.659 143 V N 2.163 122.067 119.914 -0.016 0.000 2.439 143 V HA 0.292 4.434 4.120 0.036 0.000 0.282 143 V C -0.160 175.933 176.094 -0.003 0.000 1.039 143 V CA -0.332 61.959 62.300 -0.015 0.000 0.913 143 V CB 1.561 33.371 31.823 -0.022 0.000 0.983 143 V HN 0.134 nan 8.190 nan 0.000 0.460 144 T N 4.702 119.249 114.554 -0.012 0.000 2.729 144 T HA 0.349 4.721 4.350 0.036 0.000 0.296 144 T C -0.321 174.374 174.700 -0.009 0.000 0.928 144 T CA 0.052 62.148 62.100 -0.007 0.000 1.045 144 T CB 1.140 70.011 68.868 0.006 0.000 0.902 144 T HN 0.492 nan 8.240 nan 0.000 0.500 145 V N 5.795 125.695 119.914 -0.023 0.000 2.417 145 V HA 0.666 4.808 4.120 0.036 0.000 0.291 145 V C -0.872 175.212 176.094 -0.017 0.000 1.024 145 V CA -0.453 61.824 62.300 -0.039 0.000 0.861 145 V CB 1.405 33.170 31.823 -0.097 0.000 0.985 145 V HN 0.659 nan 8.190 nan 0.000 0.436 146 V N 6.925 126.854 119.914 0.025 0.000 2.409 146 V HA 0.255 4.397 4.120 0.036 0.000 0.290 146 V C 0.575 176.685 176.094 0.026 0.000 1.017 146 V CA -0.270 62.071 62.300 0.068 0.000 0.841 146 V CB 1.060 33.023 31.823 0.235 0.000 1.003 146 V HN 1.088 nan 8.190 nan 0.000 0.426 147 C N -0.054 119.183 119.300 -0.105 0.000 3.183 147 C HA 0.429 4.911 4.460 0.036 0.000 0.285 147 C C 0.367 175.186 174.990 -0.284 0.000 1.313 147 C CA -0.186 58.685 59.018 -0.246 0.000 1.711 147 C CB -0.684 26.764 27.740 -0.486 0.000 2.135 147 C HN 0.740 nan 8.230 nan 0.000 0.651 148 D N 1.004 121.269 120.400 -0.225 0.000 2.620 148 D HA 0.379 5.041 4.640 0.036 0.000 0.252 148 D C -2.047 173.923 176.300 -0.550 0.000 1.207 148 D CA -1.818 52.007 54.000 -0.292 0.000 0.884 148 D CB 2.287 42.958 40.800 -0.216 0.000 1.262 148 D HN -0.186 nan 8.370 nan 0.000 0.552 149 P HA -0.140 nan 4.420 nan 0.000 0.217 149 P C 0.978 177.690 177.300 -0.979 0.000 1.148 149 P CA 1.355 63.535 63.100 -1.534 0.000 0.834 149 P CB 0.287 31.534 31.700 -0.754 0.000 0.783 150 A N -0.557 121.961 122.820 -0.503 0.000 2.070 150 A HA -0.199 4.143 4.320 0.036 0.000 0.220 150 A C 1.907 179.336 177.584 -0.258 0.000 1.159 150 A CA 1.774 53.632 52.037 -0.298 0.000 0.656 150 A CB -1.034 17.855 19.000 -0.186 0.000 0.800 150 A HN 0.106 nan 8.150 nan 0.000 0.453 151 D N -1.744 118.476 120.400 -0.299 0.000 2.333 151 D HA -0.018 4.644 4.640 0.036 0.000 0.208 151 D C 1.285 177.478 176.300 -0.178 0.000 0.984 151 D CA 0.432 54.331 54.000 -0.168 0.000 0.873 151 D CB -0.173 40.569 40.800 -0.097 0.000 0.935 151 D HN 0.471 nan 8.370 nan 0.000 0.521 152 Y N 1.365 121.360 120.300 -0.508 0.000 2.114 152 Y HA -0.201 4.370 4.550 0.035 0.000 0.282 152 Y C 2.775 178.342 175.900 -0.555 0.000 1.165 152 Y CA 0.514 57.977 58.100 -1.061 0.000 1.148 152 Y CB -1.312 36.496 38.460 -1.087 0.000 0.972 152 Y HN -0.048 nan 8.280 nan 0.000 0.504 153 S N -0.518 115.120 115.700 -0.103 0.000 2.368 153 S HA -0.168 4.324 4.470 0.036 0.000 0.225 153 S C 2.240 176.847 174.600 0.012 0.000 1.030 153 S CA 1.617 59.808 58.200 -0.014 0.000 0.999 153 S CB -0.393 62.799 63.200 -0.013 0.000 0.844 153 S HN 0.491 nan 8.310 nan 0.000 0.459 154 S N 1.386 117.082 115.700 -0.007 0.000 2.345 154 S HA -0.093 4.399 4.470 0.036 0.000 0.220 154 S C 2.100 176.736 174.600 0.059 0.000 1.031 154 S CA 1.450 59.665 58.200 0.025 0.000 0.996 154 S CB -0.890 62.323 63.200 0.022 0.000 0.882 154 S HN 0.698 nan 8.310 nan 0.000 0.445 155 V N 1.013 120.970 119.914 0.071 0.000 2.379 155 V HA 0.035 4.176 4.120 0.036 0.000 0.245 155 V C 2.463 178.663 176.094 0.177 0.000 1.044 155 V CA 1.284 63.657 62.300 0.122 0.000 1.036 155 V CB -1.649 30.267 31.823 0.155 0.000 0.664 155 V HN 0.405 nan 8.190 nan 0.000 0.453 156 A N 0.801 123.789 122.820 0.279 0.000 1.903 156 A HA -0.281 4.061 4.320 0.036 0.000 0.219 156 A C 2.350 180.016 177.584 0.136 0.000 1.191 156 A CA 2.673 54.879 52.037 0.283 0.000 0.638 156 A CB -0.726 18.496 19.000 0.370 0.000 0.823 156 A HN 0.638 nan 8.150 nan 0.000 0.451 157 K N -0.944 119.518 120.400 0.103 0.000 2.097 157 K HA -0.171 4.170 4.320 0.036 0.000 0.205 157 K C 2.179 178.812 176.600 0.056 0.000 1.050 157 K CA 1.474 57.801 56.287 0.066 0.000 0.938 157 K CB -0.129 32.402 32.500 0.051 0.000 0.718 157 K HN 0.770 nan 8.250 nan 0.000 0.442 158 E N 1.020 121.258 120.200 0.062 0.000 2.047 158 E HA -0.165 4.207 4.350 0.036 0.000 0.191 158 E C 2.014 178.639 176.600 0.042 0.000 0.987 158 E CA 1.071 57.501 56.400 0.050 0.000 0.799 158 E CB 0.036 29.768 29.700 0.053 0.000 0.752 158 E HN 0.187 nan 8.360 nan 0.000 0.449 159 M N 0.251 119.881 119.600 0.050 0.000 2.229 159 M HA -0.045 4.457 4.480 0.036 0.000 0.264 159 M C 1.891 178.204 176.300 0.022 0.000 1.063 159 M CA 1.255 56.574 55.300 0.032 0.000 1.114 159 M CB 0.106 32.726 32.600 0.032 0.000 1.387 159 M HN 0.171 nan 8.290 nan 0.000 0.420 160 A N -0.435 122.403 122.820 0.031 0.000 2.310 160 A HA 0.478 4.820 4.320 0.036 0.000 0.230 160 A C 1.452 179.048 177.584 0.020 0.000 1.294 160 A CA 0.791 52.841 52.037 0.022 0.000 0.898 160 A CB -0.593 18.424 19.000 0.029 0.000 0.917 160 A HN 0.467 nan 8.150 nan 0.000 0.491 161 A N -0.811 122.021 122.820 0.020 0.000 2.480 161 A HA 0.379 4.721 4.320 0.036 0.000 0.191 161 A C 1.063 178.655 177.584 0.014 0.000 1.503 161 A CA 0.667 52.714 52.037 0.017 0.000 1.110 161 A CB -0.454 18.559 19.000 0.021 0.000 1.401 161 A HN 0.683 nan 8.150 nan 0.000 0.533 162 S N 0.666 116.374 115.700 0.014 0.000 2.579 162 S HA 0.239 4.731 4.470 0.036 0.000 0.275 162 S C 0.547 175.151 174.600 0.007 0.000 1.345 162 S CA -0.148 58.058 58.200 0.011 0.000 1.031 162 S CB 0.746 63.952 63.200 0.010 0.000 0.892 162 S HN 0.327 nan 8.310 nan 0.000 0.529 163 K N 0.714 121.117 120.400 0.006 0.000 2.442 163 K HA -0.061 4.281 4.320 0.036 0.000 0.198 163 K C 0.215 176.816 176.600 0.001 0.000 1.042 163 K CA 1.193 57.483 56.287 0.004 0.000 0.958 163 K CB -0.278 32.224 32.500 0.005 0.000 0.766 163 K HN 0.840 nan 8.250 nan 0.000 0.474 164 D N -0.441 119.959 120.400 0.000 0.000 2.636 164 D HA 0.041 4.703 4.640 0.036 0.000 0.270 164 D C -0.486 175.810 176.300 -0.007 0.000 1.430 164 D CA -0.339 53.659 54.000 -0.004 0.000 0.796 164 D CB 0.037 40.835 40.800 -0.003 0.000 1.117 164 D HN -0.130 nan 8.370 nan 0.000 0.480 165 K N 0.146 120.543 120.400 -0.005 0.000 3.035 165 K HA -0.209 4.133 4.320 0.036 0.000 0.262 165 K C -0.648 175.945 176.600 -0.011 0.000 1.024 165 K CA 1.263 57.544 56.287 -0.009 0.000 0.748 165 K CB -0.982 31.509 32.500 -0.017 0.000 1.247 165 K HN 0.389 nan 8.250 nan 0.000 0.482 166 D N -0.654 119.743 120.400 -0.005 0.000 2.581 166 D HA 0.243 4.904 4.640 0.036 0.000 0.232 166 D C -0.298 176.004 176.300 0.003 0.000 1.143 166 D CA -0.144 53.853 54.000 -0.005 0.000 0.881 166 D CB 1.381 42.176 40.800 -0.008 0.000 1.500 166 D HN 0.089 nan 8.370 nan 0.000 0.458 167 T N -0.798 113.758 114.554 0.003 0.000 2.802 167 T HA 0.462 4.834 4.350 0.036 0.000 0.305 167 T C 0.757 175.457 174.700 0.000 0.000 1.053 167 T CA -0.616 61.486 62.100 0.002 0.000 1.058 167 T CB 0.443 69.305 68.868 -0.010 0.000 0.988 167 T HN 0.354 nan 8.240 nan 0.000 0.539 168 S N 0.525 116.225 115.700 0.000 0.000 2.624 168 S HA 0.225 4.717 4.470 0.036 0.000 0.263 168 S C 1.521 176.123 174.600 0.003 0.000 1.287 168 S CA -0.654 57.550 58.200 0.007 0.000 0.990 168 S CB 0.563 63.773 63.200 0.017 0.000 0.950 168 S HN 0.567 nan 8.310 nan 0.000 0.561 169 V N 1.407 121.331 119.914 0.017 0.000 2.261 169 V HA -0.156 3.986 4.120 0.036 0.000 0.246 169 V C 2.576 178.691 176.094 0.035 0.000 1.047 169 V CA 2.266 64.586 62.300 0.034 0.000 1.015 169 V CB -1.584 30.264 31.823 0.041 0.000 0.642 169 V HN 0.866 nan 8.190 nan 0.000 0.446 170 E N 0.667 120.888 120.200 0.034 0.000 2.086 170 E HA -0.246 4.126 4.350 0.036 0.000 0.205 170 E C 2.267 178.854 176.600 -0.021 0.000 1.027 170 E CA 2.337 58.764 56.400 0.045 0.000 0.830 170 E CB -0.952 28.790 29.700 0.069 0.000 0.751 170 E HN 0.574 nan 8.360 nan 0.000 0.456 171 T N 0.215 114.708 114.554 -0.103 0.000 2.746 171 T HA -0.117 4.254 4.350 0.036 0.000 0.267 171 T C 1.777 176.188 174.700 -0.482 0.000 1.039 171 T CA 1.332 63.184 62.100 -0.413 0.000 1.142 171 T CB -0.142 68.608 68.868 -0.197 0.000 0.866 171 T HN 0.113 nan 8.240 nan 0.000 0.444 172 R N 0.472 120.865 120.500 -0.178 0.000 2.090 172 R HA 0.082 4.444 4.340 0.036 0.000 0.228 172 R C 2.746 179.009 176.300 -0.061 0.000 1.110 172 R CA 0.864 56.915 56.100 -0.081 0.000 0.973 172 R CB -0.116 30.203 30.300 0.031 0.000 0.869 172 R HN 0.347 nan 8.270 nan 0.000 0.440 173 R N -0.119 120.359 120.500 -0.036 0.000 2.080 173 R HA -0.191 4.171 4.340 0.036 0.000 0.236 173 R C 2.340 178.592 176.300 -0.079 0.000 1.137 173 R CA 2.137 58.179 56.100 -0.097 0.000 0.943 173 R CB -0.583 29.722 30.300 0.009 0.000 0.846 173 R HN 0.488 nan 8.270 nan 0.000 0.431 174 H N -0.222 118.833 119.070 -0.025 0.000 2.428 174 H HA -0.010 4.561 4.556 0.025 0.000 0.296 174 H C 1.707 177.019 175.328 -0.026 0.000 1.062 174 H CA 0.931 56.967 56.048 -0.021 0.000 1.350 174 H CB -0.337 29.421 29.762 -0.006 0.000 1.403 174 H HN 0.023 nan 8.280 nan 0.000 0.533 175 L N 0.824 121.976 121.223 -0.119 0.000 2.093 175 L HA 0.078 4.440 4.340 0.036 0.000 0.208 175 L C 2.726 179.559 176.870 -0.061 0.000 1.085 175 L CA 1.656 56.466 54.840 -0.050 0.000 0.755 175 L CB -1.317 40.670 42.059 -0.119 0.000 0.904 175 L HN 0.571 nan 8.230 nan 0.000 0.435 176 A N -0.891 121.868 122.820 -0.101 0.000 1.873 176 A HA -0.191 4.151 4.320 0.036 0.000 0.215 176 A C 2.229 179.785 177.584 -0.046 0.000 1.186 176 A CA 1.603 53.549 52.037 -0.151 0.000 0.616 176 A CB -0.863 17.987 19.000 -0.251 0.000 0.823 176 A HN 0.329 nan 8.150 nan 0.000 0.442 177 L N 0.184 121.419 121.223 0.019 0.000 2.013 177 L HA -0.197 4.165 4.340 0.036 0.000 0.212 177 L C 2.264 179.204 176.870 0.117 0.000 1.073 177 L CA 2.780 57.685 54.840 0.109 0.000 0.753 177 L CB -0.711 41.393 42.059 0.075 0.000 0.890 177 L HN 0.483 nan 8.230 nan 0.000 0.432 178 K N -0.887 119.557 120.400 0.073 0.000 2.032 178 K HA -0.170 4.171 4.320 0.036 0.000 0.209 178 K C 2.001 178.637 176.600 0.060 0.000 1.048 178 K CA 1.532 57.858 56.287 0.065 0.000 0.927 178 K CB -0.314 32.212 32.500 0.044 0.000 0.712 178 K HN 0.463 nan 8.250 nan 0.000 0.441 179 A N 0.205 123.007 122.820 -0.030 0.000 1.930 179 A HA -0.105 4.237 4.320 0.036 0.000 0.217 179 A C 1.914 179.500 177.584 0.002 0.000 1.175 179 A CA 1.179 53.165 52.037 -0.085 0.000 0.627 179 A CB -0.687 18.167 19.000 -0.243 0.000 0.815 179 A HN 0.339 nan 8.150 nan 0.000 0.443 180 F N 0.767 120.750 119.950 0.056 0.000 2.146 180 F HA -0.091 4.453 4.527 0.029 0.000 0.298 180 F C 2.745 178.585 175.800 0.066 0.000 1.096 180 F CA 1.644 59.676 58.000 0.054 0.000 1.275 180 F CB -1.109 37.909 39.000 0.030 0.000 1.008 180 F HN 0.150 nan 8.300 nan 0.000 0.480 181 T N -1.831 112.880 114.554 0.260 0.000 2.708 181 T HA -0.273 4.098 4.350 0.036 0.000 0.266 181 T C 1.781 176.581 174.700 0.167 0.000 1.037 181 T CA 1.940 64.144 62.100 0.173 0.000 1.146 181 T CB -0.603 68.347 68.868 0.136 0.000 0.865 181 T HN 0.344 nan 8.240 nan 0.000 0.435 182 H N 1.280 120.394 119.070 0.075 0.000 2.319 182 H HA -0.121 4.456 4.556 0.035 0.000 0.299 182 H C 2.426 177.802 175.328 0.080 0.000 1.092 182 H CA 2.397 58.477 56.048 0.053 0.000 1.302 182 H CB -0.393 29.369 29.762 -0.000 0.000 1.373 182 H HN 0.442 nan 8.280 nan 0.000 0.497 183 T N -1.996 112.647 114.554 0.149 0.000 2.821 183 T HA -0.048 4.324 4.350 0.036 0.000 0.267 183 T C 2.272 177.046 174.700 0.124 0.000 1.046 183 T CA 1.051 63.218 62.100 0.113 0.000 1.139 183 T CB -0.841 68.120 68.868 0.155 0.000 0.871 183 T HN 0.443 nan 8.240 nan 0.000 0.454 184 A N 1.916 124.815 122.820 0.133 0.000 1.883 184 A HA -0.199 4.143 4.320 0.036 0.000 0.217 184 A C 2.489 180.111 177.584 0.063 0.000 1.186 184 A CA 1.889 53.985 52.037 0.098 0.000 0.624 184 A CB -0.947 18.112 19.000 0.098 0.000 0.822 184 A HN 0.646 nan 8.150 nan 0.000 0.444 185 Q N -2.356 117.471 119.800 0.045 0.000 2.084 185 Q HA -0.187 4.175 4.340 0.036 0.000 0.202 185 Q C 2.039 178.048 176.000 0.015 0.000 0.978 185 Q CA 1.734 57.548 55.803 0.019 0.000 0.844 185 Q CB -0.308 28.429 28.738 -0.002 0.000 0.898 185 Q HN 0.824 nan 8.270 nan 0.000 0.426 186 Y N 1.783 121.988 120.300 -0.158 0.000 2.145 186 Y HA -0.240 4.332 4.550 0.036 0.000 0.286 186 Y C 1.760 177.569 175.900 -0.152 0.000 1.145 186 Y CA 1.733 59.732 58.100 -0.169 0.000 1.148 186 Y CB -0.048 38.285 38.460 -0.211 0.000 0.981 186 Y HN 0.080 nan 8.280 nan 0.000 0.507 187 D N -0.191 120.215 120.400 0.010 0.000 2.117 187 D HA -0.166 4.496 4.640 0.036 0.000 0.197 187 D C 2.277 178.523 176.300 -0.090 0.000 0.987 187 D CA 1.353 55.313 54.000 -0.068 0.000 0.829 187 D CB -0.592 40.222 40.800 0.024 0.000 0.961 187 D HN 0.453 nan 8.370 nan 0.000 0.460 188 A N 1.016 123.811 122.820 -0.042 0.000 1.892 188 A HA -0.164 4.178 4.320 0.036 0.000 0.218 188 A C 2.321 179.861 177.584 -0.073 0.000 1.188 188 A CA 2.565 54.579 52.037 -0.038 0.000 0.631 188 A CB -0.835 18.165 19.000 0.001 0.000 0.822 188 A HN 0.254 nan 8.150 nan 0.000 0.447 189 A N -0.455 122.314 122.820 -0.086 0.000 1.933 189 A HA -0.043 4.299 4.320 0.036 0.000 0.218 189 A C 2.119 179.692 177.584 -0.019 0.000 1.175 189 A CA 1.520 53.537 52.037 -0.033 0.000 0.628 189 A CB -0.555 18.449 19.000 0.006 0.000 0.814 189 A HN 0.516 nan 8.150 nan 0.000 0.444 190 I N -0.181 120.202 120.570 -0.312 0.000 2.233 190 I HA -0.203 3.989 4.170 0.036 0.000 0.243 190 I C 2.691 178.788 176.117 -0.033 0.000 1.093 190 I CA 1.362 62.398 61.300 -0.440 0.000 1.380 190 I CB -0.308 37.258 38.000 -0.723 0.000 1.067 190 I HN 0.231 nan 8.210 nan 0.000 0.413 191 S N 0.409 116.099 115.700 -0.016 0.000 2.359 191 S HA -0.275 4.216 4.470 0.036 0.000 0.224 191 S C 1.715 176.301 174.600 -0.024 0.000 1.035 191 S CA 1.902 60.125 58.200 0.037 0.000 1.018 191 S CB -0.482 62.707 63.200 -0.019 0.000 0.876 191 S HN 0.482 nan 8.310 nan 0.000 0.448 192 D N 0.333 120.671 120.400 -0.103 0.000 2.104 192 D HA -0.175 4.487 4.640 0.036 0.000 0.194 192 D C 1.777 178.010 176.300 -0.112 0.000 0.994 192 D CA 1.315 55.204 54.000 -0.185 0.000 0.830 192 D CB -0.384 40.316 40.800 -0.168 0.000 0.959 192 D HN 0.499 nan 8.370 nan 0.000 0.452 193 Y N -0.368 119.831 120.300 -0.169 0.000 2.181 193 Y HA -0.181 4.391 4.550 0.036 0.000 0.288 193 Y C 1.903 177.598 175.900 -0.341 0.000 1.146 193 Y CA 1.640 59.584 58.100 -0.259 0.000 1.164 193 Y CB -0.481 37.828 38.460 -0.252 0.000 0.982 193 Y HN -0.080 nan 8.280 nan 0.000 0.515 194 F N 0.233 120.137 119.950 -0.077 0.000 2.259 194 F HA -0.036 4.513 4.527 0.036 0.000 0.298 194 F C 2.491 178.146 175.800 -0.242 0.000 1.088 194 F CA 1.170 59.006 58.000 -0.274 0.000 1.358 194 F CB -0.686 38.300 39.000 -0.025 0.000 1.040 194 F HN -0.058 nan 8.300 nan 0.000 0.505 195 R N 0.559 121.057 120.500 -0.002 0.000 2.080 195 R HA -0.166 4.196 4.340 0.036 0.000 0.236 195 R C 2.200 178.446 176.300 -0.090 0.000 1.137 195 R CA 1.582 57.663 56.100 -0.032 0.000 0.943 195 R CB -0.289 29.958 30.300 -0.089 0.000 0.846 195 R HN 0.244 nan 8.270 nan 0.000 0.431 196 K N -0.055 120.233 120.400 -0.186 0.000 2.057 196 K HA -0.199 4.143 4.320 0.036 0.000 0.207 196 K C 2.039 178.491 176.600 -0.246 0.000 1.049 196 K CA 1.402 57.568 56.287 -0.203 0.000 0.931 196 K CB -0.055 32.299 32.500 -0.244 0.000 0.714 196 K HN 0.059 nan 8.250 nan 0.000 0.440 197 E N -0.223 119.721 120.200 -0.426 0.000 2.076 197 E HA -0.108 4.264 4.350 0.036 0.000 0.190 197 E C 1.100 177.623 176.600 -0.129 0.000 0.979 197 E CA 1.298 57.420 56.400 -0.464 0.000 0.807 197 E CB 0.147 29.283 29.700 -0.939 0.000 0.761 197 E HN 0.276 nan 8.360 nan 0.000 0.454 198 Y N -1.579 118.711 120.300 -0.017 0.000 2.483 198 Y HA 0.400 4.972 4.550 0.036 0.000 0.258 198 Y C 1.674 177.569 175.900 -0.008 0.000 1.083 198 Y CA 0.021 58.125 58.100 0.007 0.000 1.283 198 Y CB 0.298 38.780 38.460 0.037 0.000 1.178 198 Y HN -0.044 nan 8.280 nan 0.000 0.515 199 S N -0.059 115.718 115.700 0.128 0.000 2.602 199 S HA 0.143 4.634 4.470 0.036 0.000 0.240 199 S C 0.358 174.975 174.600 0.028 0.000 0.992 199 S CA -0.434 57.810 58.200 0.073 0.000 0.971 199 S CB -0.282 62.960 63.200 0.070 0.000 0.855 199 S HN 0.151 nan 8.310 nan 0.000 0.481 200 K N 0.922 121.331 120.400 0.015 0.000 2.453 200 K HA 0.243 4.585 4.320 0.036 0.000 0.280 200 K C 1.166 177.762 176.600 -0.006 0.000 1.045 200 K CA 1.234 57.518 56.287 -0.005 0.000 1.059 200 K CB -0.240 32.252 32.500 -0.014 0.000 0.901 200 K HN 0.315 nan 8.250 nan 0.000 0.475 201 G N 2.092 110.882 108.800 -0.017 0.000 2.184 201 G HA2 -0.262 3.720 3.960 0.036 0.000 0.264 201 G HA3 -0.262 3.720 3.960 0.036 0.000 0.264 201 G C 0.420 175.306 174.900 -0.025 0.000 0.975 201 G CA 0.367 45.451 45.100 -0.026 0.000 0.642 201 G HN 0.460 nan 8.290 nan 0.000 0.536 202 V N 0.282 120.189 119.914 -0.011 0.000 3.050 202 V HA 0.286 4.428 4.120 0.036 0.000 0.223 202 V C 2.290 178.379 176.094 -0.008 0.000 1.162 202 V CA 2.158 64.453 62.300 -0.009 0.000 1.247 202 V CB 0.275 32.102 31.823 0.006 0.000 1.125 202 V HN 0.922 nan 8.190 nan 0.000 0.508 203 S N -1.327 114.382 115.700 0.014 0.000 2.559 203 S HA 0.259 4.750 4.470 0.036 0.000 0.226 203 S C 0.434 175.072 174.600 0.062 0.000 1.000 203 S CA -0.160 58.059 58.200 0.032 0.000 0.948 203 S CB 0.445 63.677 63.200 0.054 0.000 0.870 203 S HN 0.459 nan 8.310 nan 0.000 0.497 204 Q N 0.551 120.375 119.800 0.040 0.000 2.389 204 Q HA 0.613 4.975 4.340 0.036 0.000 0.277 204 Q C -2.422 173.586 176.000 0.013 0.000 1.082 204 Q CA -0.785 55.053 55.803 0.058 0.000 0.810 204 Q CB 2.244 31.001 28.738 0.032 0.000 1.374 204 Q HN 0.363 nan 8.270 nan 0.000 0.422 205 L N 4.796 126.027 121.223 0.013 0.000 2.504 205 L HA 0.514 4.876 4.340 0.036 0.000 0.265 205 L C -2.653 174.209 176.870 -0.014 0.000 0.975 205 L CA -1.541 53.286 54.840 -0.022 0.000 0.864 205 L CB 1.897 43.922 42.059 -0.057 0.000 1.212 205 L HN 0.419 nan 8.230 nan 0.000 0.416 206 P HA 0.220 nan 4.420 nan 0.000 0.268 206 P C -0.822 176.461 177.300 -0.028 0.000 1.205 206 P CA 0.135 63.228 63.100 -0.012 0.000 0.771 206 P CB 0.571 32.260 31.700 -0.018 0.000 0.858 207 L N 3.200 124.413 121.223 -0.016 0.000 2.334 207 L HA 0.423 4.785 4.340 0.036 0.000 0.270 207 L C 1.965 178.788 176.870 -0.079 0.000 1.018 207 L CA -0.837 53.973 54.840 -0.050 0.000 0.811 207 L CB 1.275 43.329 42.059 -0.007 0.000 1.271 207 L HN 0.329 nan 8.230 nan 0.000 0.443 208 R N 0.747 121.126 120.500 -0.200 0.000 2.096 208 R HA -0.095 4.267 4.340 0.036 0.000 0.235 208 R C -0.719 175.454 176.300 -0.212 0.000 1.127 208 R CA 1.684 57.615 56.100 -0.282 0.000 0.968 208 R CB 0.019 30.011 30.300 -0.513 0.000 0.861 208 R HN 0.603 nan 8.270 nan 0.000 0.440 209 Y N -4.996 115.337 120.300 0.054 0.000 2.925 209 Y HA 0.489 5.060 4.550 0.036 0.000 0.349 209 Y C 0.209 176.147 175.900 0.064 0.000 1.342 209 Y CA -1.179 56.944 58.100 0.038 0.000 1.093 209 Y CB -0.062 38.407 38.460 0.015 0.000 1.571 209 Y HN -0.099 nan 8.280 nan 0.000 0.438 210 G N 0.186 109.152 108.800 0.276 0.000 2.624 210 G HA2 0.259 4.241 3.960 0.036 0.000 0.217 210 G HA3 0.259 4.241 3.960 0.036 0.000 0.217 210 G C 0.503 175.425 174.900 0.036 0.000 1.506 210 G CA 0.013 45.133 45.100 0.033 0.000 1.072 210 G HN 0.737 nan 8.290 nan 0.000 0.568 211 M N -0.005 119.404 119.600 -0.319 0.000 2.267 211 M HA 0.058 4.560 4.480 0.036 0.000 0.263 211 M C 0.212 176.517 176.300 0.009 0.000 1.063 211 M CA 0.903 56.115 55.300 -0.146 0.000 1.090 211 M CB -0.344 32.108 32.600 -0.247 0.000 1.392 211 M HN 0.359 nan 8.290 nan 0.000 0.422 212 N N -2.055 116.585 118.700 -0.099 0.000 2.416 212 N HA 0.285 5.047 4.740 0.036 0.000 0.276 212 N C -2.474 172.803 175.510 -0.388 0.000 1.261 212 N CA -1.200 51.756 53.050 -0.157 0.000 0.790 212 N CB 1.246 39.702 38.487 -0.053 0.000 1.554 212 N HN -0.284 nan 8.380 nan 0.000 0.481 213 P HA -0.121 nan 4.420 nan 0.000 0.221 213 P C 0.955 178.109 177.300 -0.243 0.000 1.145 213 P CA 1.299 63.886 63.100 -0.855 0.000 0.795 213 P CB -0.076 31.221 31.700 -0.672 0.000 0.775 214 H N -1.540 117.419 119.070 -0.185 0.000 2.551 214 H HA 0.142 4.720 4.556 0.036 0.000 0.266 214 H C 0.187 175.487 175.328 -0.047 0.000 0.977 214 H CA 0.279 56.275 56.048 -0.087 0.000 1.163 214 H CB -0.491 29.230 29.762 -0.069 0.000 1.381 214 H HN 0.201 nan 8.280 nan 0.000 0.581 215 Q N 1.635 121.177 119.800 -0.430 0.000 2.569 215 Q HA 0.325 4.687 4.340 0.036 0.000 0.226 215 Q C -0.750 175.200 176.000 -0.083 0.000 1.136 215 Q CA -0.397 55.223 55.803 -0.304 0.000 0.947 215 Q CB 1.181 29.677 28.738 -0.404 0.000 1.218 215 Q HN 0.199 nan 8.270 nan 0.000 0.547 216 S N 2.020 117.707 115.700 -0.022 0.000 2.541 216 S HA 0.741 5.233 4.470 0.036 0.000 0.280 216 S C -2.393 172.222 174.600 0.026 0.000 1.112 216 S CA -1.195 57.029 58.200 0.040 0.000 0.925 216 S CB 1.029 64.272 63.200 0.072 0.000 1.067 216 S HN 0.397 nan 8.310 nan 0.000 0.479 217 P HA 0.814 nan 4.420 nan 0.000 0.281 217 P C -1.429 175.915 177.300 0.072 0.000 1.281 217 P CA -0.668 62.464 63.100 0.053 0.000 0.811 217 P CB 1.007 32.730 31.700 0.038 0.000 1.154 218 A N 0.303 123.182 122.820 0.098 0.000 2.572 218 A HA 0.676 5.018 4.320 0.036 0.000 0.295 218 A C -1.301 176.359 177.584 0.127 0.000 1.072 218 A CA -0.558 51.572 52.037 0.155 0.000 0.691 218 A CB 1.744 20.882 19.000 0.230 0.000 1.291 218 A HN 0.734 nan 8.150 nan 0.000 0.404 219 Q N 0.203 120.093 119.800 0.150 0.000 2.482 219 Q HA 0.750 5.112 4.340 0.036 0.000 0.286 219 Q C -1.848 174.193 176.000 0.068 0.000 1.007 219 Q CA -0.875 54.989 55.803 0.102 0.000 0.801 219 Q CB 1.711 30.526 28.738 0.129 0.000 1.455 219 Q HN 0.978 nan 8.270 nan 0.000 0.398 220 L N 2.239 123.465 121.223 0.005 0.000 2.329 220 L HA 0.782 5.144 4.340 0.036 0.000 0.279 220 L C -1.641 175.249 176.870 0.034 0.000 1.014 220 L CA -0.349 54.439 54.840 -0.088 0.000 0.814 220 L CB 1.517 43.474 42.059 -0.170 0.000 1.257 220 L HN 0.771 nan 8.230 nan 0.000 0.424 221 Y N 0.721 120.978 120.300 -0.071 0.000 2.670 221 Y HA 0.800 5.371 4.550 0.035 0.000 0.334 221 Y C -1.072 174.799 175.900 -0.048 0.000 1.185 221 Y CA -0.938 57.130 58.100 -0.053 0.000 1.053 221 Y CB 1.314 39.758 38.460 -0.026 0.000 1.298 221 Y HN 0.668 nan 8.280 nan 0.000 0.459 222 T N -0.261 114.410 114.554 0.195 0.000 2.906 222 T HA 0.362 4.734 4.350 0.036 0.000 0.295 222 T C 0.501 175.352 174.700 0.253 0.000 1.061 222 T CA -0.039 62.135 62.100 0.124 0.000 1.000 222 T CB 1.300 70.180 68.868 0.020 0.000 1.103 222 T HN 1.051 nan 8.240 nan 0.000 0.486 223 T N 1.033 115.711 114.554 0.207 0.000 3.148 223 T HA 0.259 4.631 4.350 0.036 0.000 0.253 223 T C 0.840 175.604 174.700 0.106 0.000 1.134 223 T CA 0.115 62.313 62.100 0.164 0.000 1.051 223 T CB -0.150 68.807 68.868 0.148 0.000 0.959 223 T HN 0.470 nan 8.240 nan 0.000 0.525 224 R N 1.364 121.923 120.500 0.098 0.000 2.543 224 R HA 0.316 4.678 4.340 0.036 0.000 0.268 224 R C -1.701 174.635 176.300 0.061 0.000 1.067 224 R CA -2.143 54.004 56.100 0.077 0.000 1.142 224 R CB 0.032 30.388 30.300 0.093 0.000 1.110 224 R HN -0.026 nan 8.270 nan 0.000 0.549 225 P HA -0.144 nan 4.420 nan 0.000 0.218 225 P C -0.452 176.862 177.300 0.024 0.000 1.148 225 P CA 1.536 64.656 63.100 0.033 0.000 0.822 225 P CB 0.326 32.041 31.700 0.024 0.000 0.784 226 K N -0.945 119.465 120.400 0.016 0.000 2.501 226 K HA 0.328 4.670 4.320 0.036 0.000 0.252 226 K C -0.929 175.648 176.600 -0.038 0.000 0.934 226 K CA -0.784 55.498 56.287 -0.009 0.000 0.797 226 K CB 1.253 33.745 32.500 -0.014 0.000 1.270 226 K HN -0.177 nan 8.250 nan 0.000 0.431 227 L N 5.280 126.461 121.223 -0.070 0.000 2.456 227 L HA 0.143 4.505 4.340 0.036 0.000 0.272 227 L C -1.229 175.519 176.870 -0.203 0.000 1.189 227 L CA -1.043 53.707 54.840 -0.150 0.000 0.846 227 L CB 0.645 42.616 42.059 -0.147 0.000 1.111 227 L HN 0.636 nan 8.230 nan 0.000 0.475 228 P HA -0.025 nan 4.420 nan 0.000 0.240 228 P C -0.106 176.985 177.300 -0.349 0.000 1.190 228 P CA 0.402 63.286 63.100 -0.360 0.000 0.781 228 P CB 0.422 31.706 31.700 -0.693 0.000 0.931 229 L N 1.551 122.564 121.223 -0.350 0.000 2.280 229 L HA 0.423 4.785 4.340 0.036 0.000 0.287 229 L C -0.130 176.616 176.870 -0.208 0.000 1.023 229 L CA -0.248 54.407 54.840 -0.309 0.000 0.819 229 L CB 1.266 43.125 42.059 -0.332 0.000 1.212 229 L HN -0.136 nan 8.230 nan 0.000 0.420 230 T N 1.589 116.045 114.554 -0.163 0.000 2.932 230 T HA 0.697 5.068 4.350 0.036 0.000 0.289 230 T C -0.482 174.160 174.700 -0.098 0.000 1.039 230 T CA -0.849 61.182 62.100 -0.114 0.000 1.024 230 T CB 1.674 70.490 68.868 -0.087 0.000 1.090 230 T HN 0.237 nan 8.240 nan 0.000 0.496 231 V N 2.981 122.843 119.914 -0.088 0.000 2.350 231 V HA 0.216 4.358 4.120 0.036 0.000 0.276 231 V C 0.991 177.033 176.094 -0.088 0.000 1.028 231 V CA -0.441 61.807 62.300 -0.088 0.000 0.860 231 V CB 1.028 32.801 31.823 -0.083 0.000 0.990 231 V HN 0.922 nan 8.190 nan 0.000 0.453 232 V N 3.603 123.450 119.914 -0.112 0.000 3.125 232 V HA 0.216 4.357 4.120 0.036 0.000 0.249 232 V C 0.614 176.626 176.094 -0.137 0.000 1.113 232 V CA 0.566 62.789 62.300 -0.129 0.000 1.106 232 V CB -0.393 31.314 31.823 -0.194 0.000 0.768 232 V HN 0.865 nan 8.190 nan 0.000 0.468 233 N N -1.361 117.252 118.700 -0.145 0.000 2.598 233 N HA 0.552 5.314 4.740 0.036 0.000 0.263 233 N C -0.242 175.204 175.510 -0.108 0.000 1.254 233 N CA 0.711 53.693 53.050 -0.114 0.000 0.863 233 N CB 1.951 40.369 38.487 -0.114 0.000 1.586 233 N HN 0.430 nan 8.380 nan 0.000 0.491 234 G N 0.406 109.160 108.800 -0.077 0.000 2.693 234 G HA2 -0.057 3.925 3.960 0.036 0.000 0.226 234 G HA3 -0.057 3.925 3.960 0.036 0.000 0.226 234 G C -1.386 173.470 174.900 -0.073 0.000 1.354 234 G CA -0.151 44.905 45.100 -0.073 0.000 0.873 234 G HN 0.929 nan 8.290 nan 0.000 0.562 235 S N 2.119 117.775 115.700 -0.074 0.000 2.776 235 S HA 0.660 5.152 4.470 0.036 0.000 0.284 235 S C -2.621 171.924 174.600 -0.092 0.000 1.160 235 S CA -0.559 57.594 58.200 -0.079 0.000 1.051 235 S CB 2.867 66.023 63.200 -0.073 0.000 1.037 235 S HN 0.789 nan 8.310 nan 0.000 0.485 236 P HA 0.360 nan 4.420 nan 0.000 0.275 236 P C 0.238 177.448 177.300 -0.150 0.000 1.228 236 P CA -0.097 62.945 63.100 -0.098 0.000 0.786 236 P CB 0.757 32.389 31.700 -0.114 0.000 0.927 237 G N 0.617 109.316 108.800 -0.170 0.000 2.613 237 G HA2 0.252 4.234 3.960 0.036 0.000 0.303 237 G HA3 0.252 4.234 3.960 0.036 0.000 0.303 237 G C 0.195 175.062 174.900 -0.055 0.000 1.312 237 G CA -0.702 44.274 45.100 -0.206 0.000 1.036 237 G HN 0.374 nan 8.290 nan 0.000 0.513 238 F N -0.292 119.598 119.950 -0.100 0.000 2.069 238 F HA -0.067 4.482 4.527 0.036 0.000 0.298 238 F C 2.566 178.333 175.800 -0.056 0.000 1.113 238 F CA 1.628 59.597 58.000 -0.052 0.000 1.214 238 F CB -0.077 38.932 39.000 0.015 0.000 0.978 238 F HN 0.227 nan 8.300 nan 0.000 0.474 239 I N 0.284 121.022 120.570 0.280 0.000 2.286 239 I HA -0.340 3.851 4.170 0.036 0.000 0.248 239 I C 1.907 178.006 176.117 -0.030 0.000 1.115 239 I CA 1.625 63.032 61.300 0.178 0.000 1.392 239 I CB -0.752 37.372 38.000 0.206 0.000 1.065 239 I HN 0.246 nan 8.210 nan 0.000 0.418 240 N N 0.802 119.451 118.700 -0.084 0.000 2.132 240 N HA -0.208 4.554 4.740 0.036 0.000 0.191 240 N C 1.784 176.872 175.510 -0.704 0.000 1.015 240 N CA 1.177 54.035 53.050 -0.319 0.000 0.864 240 N CB -0.121 38.290 38.487 -0.127 0.000 1.006 240 N HN 0.342 nan 8.380 nan 0.000 0.430 241 L N -0.144 120.801 121.223 -0.462 0.000 2.270 241 L HA -0.002 4.360 4.340 0.036 0.000 0.210 241 L C 2.218 178.852 176.870 -0.394 0.000 1.104 241 L CA 0.287 54.839 54.840 -0.480 0.000 0.804 241 L CB -0.293 41.514 42.059 -0.421 0.000 0.937 241 L HN 0.342 nan 8.230 nan 0.000 0.450 242 C N 0.171 119.295 119.300 -0.293 0.000 2.429 242 C HA -0.160 4.322 4.460 0.036 0.000 0.277 242 C C 2.459 177.385 174.990 -0.108 0.000 1.262 242 C CA 0.645 59.581 59.018 -0.136 0.000 1.733 242 C CB -0.608 27.148 27.740 0.026 0.000 2.010 242 C HN 0.541 nan 8.230 nan 0.000 0.483 243 D N 0.832 121.144 120.400 -0.146 0.000 2.084 243 D HA -0.068 4.594 4.640 0.036 0.000 0.196 243 D C 2.356 178.382 176.300 -0.456 0.000 0.985 243 D CA 1.742 55.669 54.000 -0.122 0.000 0.826 243 D CB -0.633 40.183 40.800 0.027 0.000 0.978 243 D HN 0.459 nan 8.370 nan 0.000 0.456 244 A N 0.708 123.130 122.820 -0.664 0.000 1.908 244 A HA -0.156 4.186 4.320 0.036 0.000 0.218 244 A C 2.420 179.819 177.584 -0.307 0.000 1.181 244 A CA 1.185 52.885 52.037 -0.561 0.000 0.627 244 A CB -0.806 17.732 19.000 -0.771 0.000 0.818 244 A HN 0.221 nan 8.150 nan 0.000 0.445 245 L N -0.703 120.345 121.223 -0.293 0.000 2.179 245 L HA -0.084 4.278 4.340 0.036 0.000 0.208 245 L C 2.290 179.067 176.870 -0.155 0.000 1.096 245 L CA 0.705 55.454 54.840 -0.153 0.000 0.779 245 L CB -0.424 41.548 42.059 -0.145 0.000 0.922 245 L HN 0.393 nan 8.230 nan 0.000 0.443 246 N N 0.264 118.806 118.700 -0.263 0.000 2.171 246 N HA -0.099 4.663 4.740 0.036 0.000 0.184 246 N C 1.895 176.952 175.510 -0.754 0.000 1.021 246 N CA 1.400 54.241 53.050 -0.348 0.000 0.854 246 N CB -0.015 38.461 38.487 -0.019 0.000 0.994 246 N HN 0.269 nan 8.380 nan 0.000 0.426 247 A N 1.492 123.642 122.820 -1.116 0.000 1.902 247 A HA -0.154 4.188 4.320 0.036 0.000 0.217 247 A C 2.039 179.402 177.584 -0.367 0.000 1.181 247 A CA 0.844 52.297 52.037 -0.974 0.000 0.623 247 A CB -1.090 17.445 19.000 -0.775 0.000 0.818 247 A HN 0.585 nan 8.150 nan 0.000 0.443 248 W N 0.821 121.891 121.300 -0.384 0.000 2.333 248 W HA -0.268 4.414 4.660 0.036 0.000 0.316 248 W C 2.090 178.453 176.519 -0.260 0.000 1.215 248 W CA 2.073 59.274 57.345 -0.240 0.000 1.278 248 W CB -0.372 28.976 29.460 -0.187 0.000 1.154 248 W HN 0.513 nan 8.180 nan 0.000 0.486 249 Q N 0.583 120.093 119.800 -0.484 0.000 2.096 249 Q HA -0.260 4.102 4.340 0.036 0.000 0.204 249 Q C 2.479 178.042 176.000 -0.727 0.000 0.982 249 Q CA 2.035 57.456 55.803 -0.636 0.000 0.850 249 Q CB -0.687 27.650 28.738 -0.669 0.000 0.901 249 Q HN 0.396 nan 8.270 nan 0.000 0.422 250 L N 0.617 121.348 121.223 -0.820 0.000 1.990 250 L HA -0.215 4.147 4.340 0.036 0.000 0.213 250 L C 2.395 179.110 176.870 -0.257 0.000 1.072 250 L CA 1.624 56.215 54.840 -0.414 0.000 0.755 250 L CB -0.319 41.661 42.059 -0.132 0.000 0.889 250 L HN 0.264 nan 8.230 nan 0.000 0.432 251 V N -3.010 116.714 119.914 -0.317 0.000 2.548 251 V HA -0.216 3.926 4.120 0.036 0.000 0.249 251 V C 2.448 178.298 176.094 -0.407 0.000 1.055 251 V CA 1.812 63.949 62.300 -0.272 0.000 1.065 251 V CB -0.763 30.941 31.823 -0.199 0.000 0.681 251 V HN 0.475 nan 8.190 nan 0.000 0.462 252 K N 0.542 120.520 120.400 -0.702 0.000 2.026 252 K HA -0.207 4.135 4.320 0.036 0.000 0.208 252 K C 2.229 178.630 176.600 -0.332 0.000 1.048 252 K CA 2.162 58.045 56.287 -0.674 0.000 0.929 252 K CB -0.206 31.722 32.500 -0.954 0.000 0.713 252 K HN 0.664 nan 8.250 nan 0.000 0.439 253 E N 0.514 120.557 120.200 -0.262 0.000 2.107 253 E HA -0.131 4.241 4.350 0.036 0.000 0.191 253 E C 2.101 178.656 176.600 -0.077 0.000 0.982 253 E CA 0.728 57.059 56.400 -0.116 0.000 0.809 253 E CB 0.027 29.713 29.700 -0.023 0.000 0.756 253 E HN 0.281 nan 8.360 nan 0.000 0.459 254 L N 1.098 122.272 121.223 -0.082 0.000 2.012 254 L HA -0.244 4.118 4.340 0.036 0.000 0.210 254 L C 2.656 179.497 176.870 -0.049 0.000 1.073 254 L CA 1.408 56.224 54.840 -0.041 0.000 0.748 254 L CB -0.309 41.731 42.059 -0.031 0.000 0.891 254 L HN 0.083 nan 8.230 nan 0.000 0.431 255 K N -0.201 120.147 120.400 -0.087 0.000 2.057 255 K HA -0.211 4.131 4.320 0.036 0.000 0.206 255 K C 2.084 178.650 176.600 -0.056 0.000 1.050 255 K CA 1.344 57.589 56.287 -0.070 0.000 0.935 255 K CB 0.017 32.458 32.500 -0.099 0.000 0.715 255 K HN 0.352 nan 8.250 nan 0.000 0.439 256 Q N -0.158 119.599 119.800 -0.071 0.000 2.061 256 Q HA -0.149 4.213 4.340 0.036 0.000 0.204 256 Q C 2.134 178.114 176.000 -0.033 0.000 0.984 256 Q CA 1.682 57.455 55.803 -0.050 0.000 0.846 256 Q CB -0.181 28.522 28.738 -0.058 0.000 0.902 256 Q HN 0.423 nan 8.270 nan 0.000 0.421 257 A N 0.181 122.984 122.820 -0.028 0.000 1.969 257 A HA -0.083 4.258 4.320 0.036 0.000 0.218 257 A C 1.843 179.426 177.584 -0.002 0.000 1.169 257 A CA 1.125 53.156 52.037 -0.011 0.000 0.635 257 A CB -0.133 18.868 19.000 0.003 0.000 0.810 257 A HN 0.293 nan 8.150 nan 0.000 0.445 258 L N -2.820 118.400 121.223 -0.005 0.000 2.717 258 L HA 0.313 4.675 4.340 0.036 0.000 0.239 258 L C 1.527 178.395 176.870 -0.003 0.000 1.086 258 L CA 0.528 55.368 54.840 0.001 0.000 0.897 258 L CB 0.290 42.352 42.059 0.005 0.000 1.214 258 L HN 0.510 nan 8.230 nan 0.000 0.508 259 G N 1.652 110.446 108.800 -0.009 0.000 2.147 259 G HA2 -0.259 3.723 3.960 0.036 0.000 0.244 259 G HA3 -0.259 3.723 3.960 0.036 0.000 0.244 259 G C -0.097 174.801 174.900 -0.004 0.000 1.005 259 G CA 0.195 45.290 45.100 -0.008 0.000 0.713 259 G HN 0.281 nan 8.290 nan 0.000 0.515 260 I N -0.177 120.391 120.570 -0.004 0.000 2.619 260 I HA 0.381 4.573 4.170 0.036 0.000 0.292 260 I C -2.374 173.743 176.117 0.001 0.000 1.100 260 I CA -2.804 58.498 61.300 0.004 0.000 1.043 260 I CB 2.490 40.496 38.000 0.011 0.000 1.239 260 I HN -0.213 nan 8.210 nan 0.000 0.420 261 P HA 0.096 nan 4.420 nan 0.000 0.263 261 P C -0.876 176.436 177.300 0.020 0.000 1.175 261 P CA 0.189 63.295 63.100 0.010 0.000 0.761 261 P CB 0.550 32.263 31.700 0.022 0.000 0.794 262 A N 2.023 124.849 122.820 0.010 0.000 2.527 262 A HA 0.915 5.257 4.320 0.036 0.000 0.293 262 A C -1.216 176.399 177.584 0.052 0.000 1.117 262 A CA -0.283 51.770 52.037 0.025 0.000 0.723 262 A CB 1.867 20.859 19.000 -0.012 0.000 1.313 262 A HN 0.552 nan 8.150 nan 0.000 0.411 263 A N -0.814 122.066 122.820 0.100 0.000 2.609 263 A HA 1.000 5.342 4.320 0.036 0.000 0.291 263 A C -0.606 177.103 177.584 0.208 0.000 1.096 263 A CA -0.000 52.139 52.037 0.169 0.000 0.684 263 A CB 1.111 20.273 19.000 0.270 0.000 1.282 263 A HN 2.643 nan 8.150 nan 0.000 0.412 264 A N -0.248 122.740 122.820 0.280 0.000 2.572 264 A HA 0.857 5.199 4.320 0.036 0.000 0.295 264 A C -0.591 177.271 177.584 0.463 0.000 1.072 264 A CA 0.129 52.372 52.037 0.344 0.000 0.691 264 A CB 1.460 20.682 19.000 0.370 0.000 1.291 264 A HN 2.014 nan 8.150 nan 0.000 0.404 265 S N 0.708 116.680 115.700 0.455 0.000 2.596 265 S HA 0.744 5.236 4.470 0.036 0.000 0.318 265 S C -1.534 173.323 174.600 0.429 0.000 1.097 265 S CA -0.270 58.210 58.200 0.467 0.000 1.080 265 S CB -0.082 63.326 63.200 0.347 0.000 0.991 265 S HN 0.487 nan 8.310 nan 0.000 0.471 266 F N 3.312 123.404 119.950 0.236 0.000 2.492 266 F HA 0.740 5.289 4.527 0.036 0.000 0.327 266 F C 0.152 176.071 175.800 0.198 0.000 1.079 266 F CA -0.646 57.477 58.000 0.206 0.000 0.967 266 F CB 2.067 41.185 39.000 0.198 0.000 1.169 266 F HN 0.543 nan 8.300 nan 0.000 0.472 267 K N 1.059 121.578 120.400 0.198 0.000 2.535 267 K HA 0.377 4.719 4.320 0.036 0.000 0.251 267 K C -0.947 175.763 176.600 0.183 0.000 0.942 267 K CA -0.580 55.812 56.287 0.174 0.000 0.798 267 K CB 0.662 33.269 32.500 0.179 0.000 1.267 267 K HN 0.636 nan 8.250 nan 0.000 0.434 268 H N 2.415 121.607 119.070 0.203 0.000 2.557 268 H HA -0.186 4.392 4.556 0.036 0.000 0.319 268 H C -0.080 175.361 175.328 0.189 0.000 1.102 268 H CA 1.111 57.266 56.048 0.178 0.000 1.126 268 H CB -1.331 28.514 29.762 0.138 0.000 1.498 268 H HN 0.526 nan 8.280 nan 0.000 0.411 269 V N -2.334 117.781 119.914 0.335 0.000 4.032 269 V HA -0.330 3.812 4.120 0.036 0.000 0.231 269 V C 0.548 176.860 176.094 0.364 0.000 0.429 269 V CA 1.480 64.039 62.300 0.432 0.000 0.934 269 V CB -1.935 30.085 31.823 0.329 0.000 1.004 269 V HN 0.570 nan 8.190 nan 0.000 1.283 270 S N -0.023 115.688 115.700 0.018 0.000 2.570 270 S HA 0.732 5.224 4.470 0.036 0.000 0.286 270 S C -2.766 171.223 174.600 -1.019 0.000 1.099 270 S CA -1.177 56.840 58.200 -0.306 0.000 0.913 270 S CB 2.826 65.992 63.200 -0.058 0.000 1.085 270 S HN 0.195 nan 8.310 nan 0.000 0.480 271 P HA 0.219 nan 4.420 nan 0.000 0.267 271 P C -0.064 177.062 177.300 -0.290 0.000 1.205 271 P CA -0.079 62.513 63.100 -0.846 0.000 0.765 271 P CB 0.517 32.039 31.700 -0.296 0.000 0.828 272 A N 3.420 126.168 122.820 -0.120 0.000 1.930 272 A HA 0.367 4.709 4.320 0.036 0.000 0.215 272 A C 1.112 178.719 177.584 0.039 0.000 1.176 272 A CA 1.717 53.765 52.037 0.018 0.000 0.632 272 A CB -0.734 18.324 19.000 0.096 0.000 0.819 272 A HN 0.636 nan 8.150 nan 0.000 0.445 273 G N -3.254 105.579 108.800 0.054 0.000 2.600 273 G HA2 0.694 4.676 3.960 0.036 0.000 0.293 273 G HA3 0.694 4.676 3.960 0.036 0.000 0.293 273 G C -1.283 173.678 174.900 0.102 0.000 1.408 273 G CA 0.081 45.217 45.100 0.060 0.000 0.782 273 G HN 1.328 nan 8.290 nan 0.000 0.482 274 A N -1.577 121.295 122.820 0.087 0.000 2.599 274 A HA 1.058 5.400 4.320 0.036 0.000 0.294 274 A C -0.655 176.976 177.584 0.078 0.000 1.055 274 A CA 0.376 52.484 52.037 0.118 0.000 0.683 274 A CB 1.104 20.187 19.000 0.138 0.000 1.278 274 A HN 2.631 nan 8.150 nan 0.000 0.412 275 A N -0.021 122.850 122.820 0.085 0.000 2.608 275 A HA 0.808 5.150 4.320 0.036 0.000 0.292 275 A C -0.488 177.134 177.584 0.064 0.000 1.066 275 A CA 0.050 52.126 52.037 0.066 0.000 0.676 275 A CB 0.453 19.499 19.000 0.075 0.000 1.277 275 A HN 2.331 nan 8.150 nan 0.000 0.413 276 V N -0.801 119.143 119.914 0.051 0.000 2.973 276 V HA 0.827 4.968 4.120 0.036 0.000 0.314 276 V C 0.869 176.998 176.094 0.059 0.000 1.066 276 V CA -0.007 62.320 62.300 0.046 0.000 1.021 276 V CB 1.441 33.282 31.823 0.029 0.000 1.076 276 V HN 1.748 nan 8.190 nan 0.000 0.462 277 G N 3.107 111.941 108.800 0.056 0.000 3.401 277 G HA2 0.309 4.291 3.960 0.036 0.000 0.251 277 G HA3 0.309 4.291 3.960 0.036 0.000 0.251 277 G C 0.181 175.118 174.900 0.061 0.000 0.960 277 G CA -0.352 44.787 45.100 0.065 0.000 1.900 277 G HN 0.515 nan 8.290 nan 0.000 0.645 278 I N 1.383 121.995 120.570 0.069 0.000 2.533 278 I HA 0.134 4.325 4.170 0.036 0.000 0.284 278 I C -1.912 174.260 176.117 0.091 0.000 1.109 278 I CA -3.011 58.333 61.300 0.072 0.000 1.412 278 I CB 0.653 38.699 38.000 0.077 0.000 1.396 278 I HN 0.077 nan 8.210 nan 0.000 0.543 279 P HA 0.042 nan 4.420 nan 0.000 0.264 279 P C -0.461 176.929 177.300 0.150 0.000 1.183 279 P CA -0.192 62.962 63.100 0.090 0.000 0.763 279 P CB 0.400 32.138 31.700 0.063 0.000 0.807 280 L N 2.745 124.093 121.223 0.208 0.000 2.331 280 L HA 0.202 4.564 4.340 0.036 0.000 0.278 280 L C 0.974 178.073 176.870 0.381 0.000 1.106 280 L CA 0.445 55.454 54.840 0.281 0.000 0.824 280 L CB 0.265 42.502 42.059 0.298 0.000 1.142 280 L HN 0.395 nan 8.230 nan 0.000 0.443 281 S N 1.410 117.254 115.700 0.239 0.000 2.596 281 S HA 0.109 4.601 4.470 0.036 0.000 0.260 281 S C 0.950 175.531 174.600 -0.033 0.000 1.336 281 S CA -0.539 57.764 58.200 0.172 0.000 0.993 281 S CB 0.453 63.741 63.200 0.147 0.000 0.923 281 S HN 0.663 nan 8.310 nan 0.000 0.567 282 E N 0.625 120.738 120.200 -0.145 0.000 2.110 282 E HA -0.181 4.190 4.350 0.036 0.000 0.193 282 E C 1.952 178.512 176.600 -0.067 0.000 0.988 282 E CA 1.169 57.395 56.400 -0.290 0.000 0.804 282 E CB -0.155 29.521 29.700 -0.040 0.000 0.745 282 E HN 0.747 nan 8.360 nan 0.000 0.458 283 E N 0.632 120.825 120.200 -0.011 0.000 2.058 283 E HA -0.249 4.122 4.350 0.036 0.000 0.194 283 E C 2.051 178.632 176.600 -0.032 0.000 0.997 283 E CA 1.231 57.627 56.400 -0.007 0.000 0.801 283 E CB 0.042 29.787 29.700 0.075 0.000 0.746 283 E HN 0.077 nan 8.360 nan 0.000 0.450 284 E N 0.308 120.534 120.200 0.043 0.000 2.106 284 E HA -0.105 4.267 4.350 0.036 0.000 0.192 284 E C 1.725 178.344 176.600 0.032 0.000 0.984 284 E CA 1.141 57.584 56.400 0.072 0.000 0.806 284 E CB -0.176 29.655 29.700 0.218 0.000 0.750 284 E HN 0.262 nan 8.360 nan 0.000 0.458 285 A N 0.324 123.145 122.820 0.001 0.000 1.940 285 A HA -0.278 4.064 4.320 0.036 0.000 0.219 285 A C 2.167 179.776 177.584 0.042 0.000 1.176 285 A CA 1.829 53.880 52.037 0.023 0.000 0.631 285 A CB -0.585 18.327 19.000 -0.147 0.000 0.814 285 A HN 0.349 nan 8.150 nan 0.000 0.446 286 Q N -0.683 119.118 119.800 0.003 0.000 2.050 286 Q HA -0.115 4.247 4.340 0.036 0.000 0.202 286 Q C 2.156 178.105 176.000 -0.085 0.000 0.980 286 Q CA 1.754 57.526 55.803 -0.052 0.000 0.840 286 Q CB -0.255 28.399 28.738 -0.139 0.000 0.898 286 Q HN 0.491 nan 8.270 nan 0.000 0.424 287 V N -0.147 119.670 119.914 -0.160 0.000 2.332 287 V HA -0.320 3.822 4.120 0.036 0.000 0.248 287 V C 2.073 178.121 176.094 -0.077 0.000 1.055 287 V CA 1.515 63.680 62.300 -0.225 0.000 1.038 287 V CB -0.442 31.062 31.823 -0.532 0.000 0.651 287 V HN 0.511 nan 8.190 nan 0.000 0.450 288 C N 0.220 119.513 119.300 -0.011 0.000 2.539 288 C HA 0.159 4.641 4.460 0.036 0.000 0.271 288 C C 1.440 176.443 174.990 0.022 0.000 1.412 288 C CA -0.301 58.739 59.018 0.036 0.000 1.729 288 C CB -1.345 26.438 27.740 0.071 0.000 1.739 288 C HN 0.685 nan 8.230 nan 0.000 0.570 289 M N -0.757 118.851 119.600 0.013 0.000 2.427 289 M HA -0.140 4.362 4.480 0.036 0.000 0.204 289 M C 0.387 176.711 176.300 0.040 0.000 0.413 289 M CA 0.795 56.103 55.300 0.013 0.000 0.507 289 M CB -2.409 30.186 32.600 -0.009 0.000 1.823 289 M HN 0.469 nan 8.290 nan 0.000 0.859 290 V N -4.365 115.591 119.914 0.071 0.000 3.172 290 V HA 0.217 4.359 4.120 0.036 0.000 0.343 290 V C 1.693 177.853 176.094 0.111 0.000 1.429 290 V CA 0.364 62.716 62.300 0.086 0.000 1.149 290 V CB -0.009 31.869 31.823 0.091 0.000 1.106 290 V HN 0.602 nan 8.190 nan 0.000 0.526 291 H N 3.327 122.408 119.070 0.020 0.000 2.387 291 H HA -0.159 4.419 4.556 0.036 0.000 0.299 291 H C 1.827 177.188 175.328 0.055 0.000 1.090 291 H CA 2.498 58.551 56.048 0.008 0.000 1.332 291 H CB 0.062 29.796 29.762 -0.046 0.000 1.386 291 H HN 0.749 nan 8.280 nan 0.000 0.516 292 D N 0.567 121.032 120.400 0.109 0.000 2.263 292 D HA -0.151 4.511 4.640 0.036 0.000 0.208 292 D C 2.001 178.308 176.300 0.012 0.000 0.971 292 D CA 0.626 54.660 54.000 0.056 0.000 0.867 292 D CB -0.611 40.228 40.800 0.066 0.000 0.929 292 D HN 0.432 nan 8.370 nan 0.000 0.492 293 L N -0.683 120.557 121.223 0.028 0.000 2.616 293 L HA 0.093 4.455 4.340 0.036 0.000 0.229 293 L C 2.396 179.286 176.870 0.033 0.000 1.110 293 L CA -0.222 54.636 54.840 0.030 0.000 0.884 293 L CB -0.388 41.699 42.059 0.048 0.000 1.115 293 L HN 0.102 nan 8.230 nan 0.000 0.481 294 H N 2.577 121.587 119.070 -0.100 0.000 2.321 294 H HA -0.245 4.333 4.556 0.036 0.000 0.295 294 H C 1.984 177.277 175.328 -0.058 0.000 1.102 294 H CA 2.275 58.266 56.048 -0.095 0.000 1.266 294 H CB 0.346 29.983 29.762 -0.207 0.000 1.363 294 H HN 0.412 nan 8.280 nan 0.000 0.492 295 K N 0.391 120.721 120.400 -0.117 0.000 2.288 295 K HA -0.060 4.281 4.320 0.036 0.000 0.201 295 K C 1.898 178.436 176.600 -0.104 0.000 1.048 295 K CA 1.597 57.797 56.287 -0.146 0.000 0.956 295 K CB -0.184 32.274 32.500 -0.070 0.000 0.746 295 K HN 0.292 nan 8.250 nan 0.000 0.461 296 T N -0.625 113.891 114.554 -0.063 0.000 3.100 296 T HA 0.189 4.561 4.350 0.036 0.000 0.253 296 T C 0.834 175.516 174.700 -0.031 0.000 1.118 296 T CA -0.394 61.685 62.100 -0.035 0.000 1.058 296 T CB -0.254 68.607 68.868 -0.011 0.000 0.953 296 T HN 0.068 nan 8.240 nan 0.000 0.515 297 L N 3.789 124.981 121.223 -0.051 0.000 2.462 297 L HA 0.251 4.612 4.340 0.036 0.000 0.272 297 L C 1.044 177.901 176.870 -0.021 0.000 1.166 297 L CA -0.406 54.423 54.840 -0.019 0.000 0.880 297 L CB 0.281 42.332 42.059 -0.014 0.000 1.142 297 L HN 0.384 nan 8.230 nan 0.000 0.473 298 T N 0.225 114.784 114.554 0.009 0.000 2.881 298 T HA 0.306 4.677 4.350 0.036 0.000 0.278 298 T C -1.871 172.844 174.700 0.025 0.000 0.982 298 T CA -1.959 60.147 62.100 0.011 0.000 0.989 298 T CB 1.427 70.306 68.868 0.018 0.000 1.058 298 T HN 0.282 nan 8.240 nan 0.000 0.529 299 P HA -0.105 nan 4.420 nan 0.000 0.217 299 P C 1.628 178.959 177.300 0.052 0.000 1.151 299 P CA 0.505 63.626 63.100 0.035 0.000 0.849 299 P CB -0.049 31.667 31.700 0.026 0.000 0.787 300 L N -0.572 120.681 121.223 0.050 0.000 2.027 300 L HA -0.058 4.304 4.340 0.036 0.000 0.206 300 L C 2.244 179.177 176.870 0.104 0.000 1.074 300 L CA 2.063 56.942 54.840 0.066 0.000 0.745 300 L CB -1.481 40.606 42.059 0.047 0.000 0.898 300 L HN -0.123 nan 8.230 nan 0.000 0.433 301 A N -1.350 121.528 122.820 0.096 0.000 1.933 301 A HA -0.181 4.161 4.320 0.036 0.000 0.218 301 A C 2.354 180.021 177.584 0.137 0.000 1.175 301 A CA 1.902 54.016 52.037 0.129 0.000 0.628 301 A CB -0.958 18.098 19.000 0.093 0.000 0.814 301 A HN 0.538 nan 8.150 nan 0.000 0.444 302 S N 0.137 115.899 115.700 0.103 0.000 2.370 302 S HA -0.126 4.366 4.470 0.036 0.000 0.226 302 S C 2.273 176.942 174.600 0.115 0.000 1.033 302 S CA 1.335 59.599 58.200 0.107 0.000 1.011 302 S CB -0.507 62.747 63.200 0.090 0.000 0.852 302 S HN 0.820 nan 8.310 nan 0.000 0.457 303 A N 0.386 123.277 122.820 0.120 0.000 1.898 303 A HA -0.099 4.242 4.320 0.036 0.000 0.216 303 A C 2.007 179.688 177.584 0.162 0.000 1.181 303 A CA 1.506 53.618 52.037 0.125 0.000 0.620 303 A CB -0.834 18.236 19.000 0.115 0.000 0.819 303 A HN 0.566 nan 8.150 nan 0.000 0.442 304 Y N 0.539 120.891 120.300 0.086 0.000 2.263 304 Y HA 0.073 4.644 4.550 0.036 0.000 0.292 304 Y C 2.615 178.581 175.900 0.108 0.000 1.130 304 Y CA 0.686 58.844 58.100 0.097 0.000 1.179 304 Y CB -0.664 37.849 38.460 0.088 0.000 0.998 304 Y HN 0.307 nan 8.280 nan 0.000 0.532 305 A N 0.999 123.791 122.820 -0.048 0.000 1.873 305 A HA -0.258 4.084 4.320 0.036 0.000 0.218 305 A C 2.355 179.898 177.584 -0.069 0.000 1.193 305 A CA 2.200 54.186 52.037 -0.085 0.000 0.629 305 A CB -0.719 18.314 19.000 0.054 0.000 0.826 305 A HN 0.530 nan 8.150 nan 0.000 0.447 306 R N -0.403 120.115 120.500 0.030 0.000 2.096 306 R HA -0.082 4.280 4.340 0.036 0.000 0.235 306 R C 2.524 178.850 176.300 0.043 0.000 1.127 306 R CA 1.508 57.665 56.100 0.095 0.000 0.968 306 R CB -0.408 29.966 30.300 0.124 0.000 0.861 306 R HN 0.533 nan 8.270 nan 0.000 0.440 307 S N 0.524 116.206 115.700 -0.030 0.000 2.345 307 S HA -0.115 4.377 4.470 0.036 0.000 0.220 307 S C 1.864 176.426 174.600 -0.063 0.000 1.031 307 S CA 0.953 59.153 58.200 -0.000 0.000 0.996 307 S CB -0.148 63.110 63.200 0.098 0.000 0.882 307 S HN 0.302 nan 8.310 nan 0.000 0.445 308 R N 0.734 121.038 120.500 -0.325 0.000 2.189 308 R HA -0.037 4.324 4.340 0.036 0.000 0.223 308 R C 2.068 178.344 176.300 -0.039 0.000 1.092 308 R CA 1.070 57.024 56.100 -0.243 0.000 0.989 308 R CB -0.400 29.578 30.300 -0.537 0.000 0.876 308 R HN 0.434 nan 8.270 nan 0.000 0.457 309 G N -0.826 107.982 108.800 0.013 0.000 2.813 309 G HA2 -0.069 3.913 3.960 0.036 0.000 0.209 309 G HA3 -0.069 3.913 3.960 0.036 0.000 0.209 309 G C 1.298 176.382 174.900 0.306 0.000 1.150 309 G CA 0.426 45.616 45.100 0.150 0.000 0.785 309 G HN 0.383 nan 8.290 nan 0.000 0.535 310 A N -0.016 122.944 122.820 0.233 0.000 1.902 310 A HA 0.063 4.404 4.320 0.036 0.000 0.217 310 A C 1.122 178.876 177.584 0.283 0.000 1.181 310 A CA 1.584 53.767 52.037 0.243 0.000 0.623 310 A CB 0.064 19.105 19.000 0.069 0.000 0.818 310 A HN 0.278 nan 8.150 nan 0.000 0.443 311 D N -2.105 118.415 120.400 0.200 0.000 2.351 311 D HA 0.193 4.855 4.640 0.036 0.000 0.235 311 D C 0.615 177.010 176.300 0.158 0.000 1.331 311 D CA -0.455 53.655 54.000 0.183 0.000 0.959 311 D CB 0.411 41.305 40.800 0.156 0.000 1.432 311 D HN 0.086 nan 8.370 nan 0.000 0.544 312 R N 2.144 122.735 120.500 0.153 0.000 2.152 312 R HA -0.063 4.299 4.340 0.036 0.000 0.232 312 R C 1.767 178.168 176.300 0.168 0.000 1.117 312 R CA 0.694 56.877 56.100 0.139 0.000 0.981 312 R CB 0.002 30.369 30.300 0.112 0.000 0.870 312 R HN 0.500 nan 8.270 nan 0.000 0.451 313 M N 0.274 119.966 119.600 0.153 0.000 2.099 313 M HA -0.065 4.436 4.480 0.036 0.000 0.262 313 M C 2.137 178.549 176.300 0.188 0.000 1.067 313 M CA 1.519 56.907 55.300 0.146 0.000 1.124 313 M CB -0.879 31.783 32.600 0.105 0.000 1.353 313 M HN -0.025 nan 8.290 nan 0.000 0.410 314 S N 0.572 116.375 115.700 0.172 0.000 2.423 314 S HA -0.050 4.442 4.470 0.036 0.000 0.231 314 S C 1.952 176.681 174.600 0.214 0.000 1.014 314 S CA 1.055 59.363 58.200 0.181 0.000 0.965 314 S CB -0.188 63.098 63.200 0.144 0.000 0.785 314 S HN 0.422 nan 8.310 nan 0.000 0.495 315 S N 0.741 116.569 115.700 0.214 0.000 2.603 315 S HA 0.226 4.718 4.470 0.036 0.000 0.220 315 S C 0.265 175.011 174.600 0.243 0.000 0.967 315 S CA -0.321 58.010 58.200 0.218 0.000 0.920 315 S CB -0.247 63.061 63.200 0.181 0.000 0.773 315 S HN 0.530 nan 8.310 nan 0.000 0.529 316 F N 2.694 122.717 119.950 0.122 0.000 2.557 316 F HA 0.400 4.949 4.527 0.036 0.000 0.384 316 F C 1.252 177.125 175.800 0.121 0.000 1.057 316 F CA 0.627 58.693 58.000 0.110 0.000 1.169 316 F CB -0.141 38.917 39.000 0.096 0.000 1.070 316 F HN 0.251 nan 8.300 nan 0.000 0.554 317 G N 3.825 112.509 108.800 -0.193 0.000 2.137 317 G HA2 -0.278 3.704 3.960 0.036 0.000 0.237 317 G HA3 -0.278 3.704 3.960 0.036 0.000 0.237 317 G C -0.291 174.656 174.900 0.079 0.000 1.002 317 G CA 0.039 45.095 45.100 -0.074 0.000 0.702 317 G HN 0.988 nan 8.290 nan 0.000 0.515 318 D N -0.576 119.896 120.400 0.120 0.000 2.368 318 D HA 0.461 5.123 4.640 0.036 0.000 0.240 318 D C -0.055 176.357 176.300 0.187 0.000 1.169 318 D CA -0.591 53.533 54.000 0.207 0.000 0.906 318 D CB 0.799 41.759 40.800 0.267 0.000 1.187 318 D HN 0.053 nan 8.370 nan 0.000 0.435 319 F N -0.044 120.005 119.950 0.166 0.000 2.443 319 F HA 0.460 5.010 4.527 0.037 0.000 0.335 319 F C -0.250 175.641 175.800 0.152 0.000 1.104 319 F CA -1.005 57.058 58.000 0.105 0.000 1.013 319 F CB 0.989 40.022 39.000 0.054 0.000 1.136 319 F HN 0.212 nan 8.300 nan 0.000 0.470 320 I N 4.686 125.299 120.570 0.071 0.000 2.377 320 I HA 0.587 4.778 4.170 0.036 0.000 0.293 320 I C -0.464 175.756 176.117 0.171 0.000 0.987 320 I CA -0.722 60.634 61.300 0.094 0.000 1.185 320 I CB 1.647 39.504 38.000 -0.238 0.000 1.341 320 I HN 0.664 nan 8.210 nan 0.000 0.455 321 A N 7.553 130.489 122.820 0.194 0.000 2.337 321 A HA 0.902 5.244 4.320 0.036 0.000 0.329 321 A C -0.928 176.744 177.584 0.147 0.000 1.146 321 A CA -0.509 51.643 52.037 0.191 0.000 0.800 321 A CB 0.990 20.083 19.000 0.155 0.000 1.220 321 A HN 0.677 nan 8.150 nan 0.000 0.472 322 L N 2.072 123.389 121.223 0.158 0.000 2.385 322 L HA 0.363 4.725 4.340 0.036 0.000 0.273 322 L C 1.263 178.218 176.870 0.142 0.000 0.990 322 L CA -0.471 54.429 54.840 0.100 0.000 0.821 322 L CB 2.345 44.420 42.059 0.028 0.000 1.279 322 L HN 0.911 nan 8.230 nan 0.000 0.412 323 S N -0.775 114.946 115.700 0.034 0.000 2.489 323 S HA 0.085 4.576 4.470 0.036 0.000 0.228 323 S C 0.215 174.852 174.600 0.061 0.000 0.995 323 S CA 0.223 58.400 58.200 -0.040 0.000 0.934 323 S CB -0.090 63.033 63.200 -0.130 0.000 0.771 323 S HN 0.682 nan 8.310 nan 0.000 0.522 324 D N -0.001 120.426 120.400 0.045 0.000 2.493 324 D HA 0.514 5.176 4.640 0.036 0.000 0.239 324 D C -0.592 175.688 176.300 -0.034 0.000 1.049 324 D CA -0.810 53.202 54.000 0.021 0.000 1.008 324 D CB 1.047 41.852 40.800 0.009 0.000 1.398 324 D HN 0.086 nan 8.370 nan 0.000 0.513 325 I N 1.166 121.704 120.570 -0.054 0.000 2.828 325 I HA -0.085 4.107 4.170 0.036 0.000 0.292 325 I C 0.606 176.650 176.117 -0.122 0.000 1.206 325 I CA 0.120 61.346 61.300 -0.123 0.000 1.420 325 I CB 0.068 38.027 38.000 -0.068 0.000 1.368 325 I HN 0.271 nan 8.210 nan 0.000 0.556 326 C N 8.127 127.286 119.300 -0.235 0.000 2.633 326 C HA 0.086 4.567 4.460 0.036 0.000 0.415 326 C C 0.387 175.375 174.990 -0.003 0.000 1.393 326 C CA -0.526 58.426 59.018 -0.110 0.000 1.700 326 C CB -1.236 26.443 27.740 -0.101 0.000 2.541 326 C HN 0.849 nan 8.230 nan 0.000 0.603 327 D N 4.096 124.506 120.400 0.018 0.000 2.440 327 D HA 0.301 4.963 4.640 0.036 0.000 0.258 327 D C 0.955 177.281 176.300 0.042 0.000 1.092 327 D CA -0.783 53.235 54.000 0.030 0.000 1.016 327 D CB 0.507 41.320 40.800 0.021 0.000 1.141 327 D HN 0.253 nan 8.370 nan 0.000 0.552 328 V N 0.066 120.001 119.914 0.035 0.000 2.255 328 V HA -0.148 3.993 4.120 0.036 0.000 0.247 328 V C -0.921 175.192 176.094 0.031 0.000 1.051 328 V CA 1.965 64.284 62.300 0.030 0.000 1.018 328 V CB -1.734 30.102 31.823 0.021 0.000 0.641 328 V HN 0.546 nan 8.190 nan 0.000 0.445 329 P HA -0.169 nan 4.420 nan 0.000 0.214 329 P C 1.897 179.231 177.300 0.058 0.000 1.169 329 P CA 2.236 65.359 63.100 0.038 0.000 0.908 329 P CB -0.369 31.351 31.700 0.034 0.000 0.791 330 T N -0.342 114.252 114.554 0.067 0.000 2.665 330 T HA -0.221 4.151 4.350 0.036 0.000 0.268 330 T C 1.899 176.635 174.700 0.060 0.000 1.035 330 T CA 1.912 64.064 62.100 0.088 0.000 1.151 330 T CB -1.145 67.765 68.868 0.069 0.000 0.862 330 T HN 0.097 nan 8.240 nan 0.000 0.438 331 A N 1.775 124.622 122.820 0.046 0.000 1.892 331 A HA -0.204 4.138 4.320 0.036 0.000 0.218 331 A C 2.280 179.864 177.584 0.000 0.000 1.188 331 A CA 1.977 54.029 52.037 0.025 0.000 0.631 331 A CB -0.558 18.464 19.000 0.036 0.000 0.822 331 A HN 0.501 nan 8.150 nan 0.000 0.447 332 K N -0.543 119.867 120.400 0.016 0.000 2.063 332 K HA -0.074 4.267 4.320 0.036 0.000 0.208 332 K C 1.806 178.421 176.600 0.025 0.000 1.048 332 K CA 1.565 57.858 56.287 0.009 0.000 0.928 332 K CB -0.385 32.124 32.500 0.015 0.000 0.713 332 K HN 0.569 nan 8.250 nan 0.000 0.442 333 I N 0.867 121.478 120.570 0.069 0.000 2.179 333 I HA -0.303 3.889 4.170 0.036 0.000 0.242 333 I C 2.213 178.397 176.117 0.113 0.000 1.088 333 I CA 1.382 62.752 61.300 0.118 0.000 1.357 333 I CB -0.280 37.855 38.000 0.225 0.000 1.051 333 I HN 0.127 nan 8.210 nan 0.000 0.409 334 I N -0.188 120.422 120.570 0.066 0.000 2.252 334 I HA -0.290 3.902 4.170 0.036 0.000 0.245 334 I C 2.783 178.818 176.117 -0.138 0.000 1.102 334 I CA 1.219 62.502 61.300 -0.028 0.000 1.385 334 I CB -0.358 37.557 38.000 -0.142 0.000 1.064 334 I HN 0.213 nan 8.210 nan 0.000 0.414 335 S N 1.516 117.131 115.700 -0.141 0.000 2.374 335 S HA -0.231 4.261 4.470 0.036 0.000 0.227 335 S C 2.022 176.533 174.600 -0.149 0.000 1.037 335 S CA 1.661 59.748 58.200 -0.187 0.000 1.024 335 S CB -0.243 62.885 63.200 -0.120 0.000 0.861 335 S HN 0.517 nan 8.310 nan 0.000 0.456 336 R N 0.024 120.478 120.500 -0.078 0.000 2.356 336 R HA 0.325 4.687 4.340 0.036 0.000 0.234 336 R C -0.123 176.150 176.300 -0.045 0.000 0.929 336 R CA -0.037 56.029 56.100 -0.056 0.000 1.084 336 R CB -0.024 30.259 30.300 -0.027 0.000 1.105 336 R HN 0.195 nan 8.270 nan 0.000 0.515 337 E N 0.651 120.818 120.200 -0.055 0.000 2.227 337 E HA 0.269 4.641 4.350 0.036 0.000 0.268 337 E C -1.205 175.339 176.600 -0.094 0.000 0.907 337 E CA -0.995 55.392 56.400 -0.023 0.000 0.786 337 E CB 2.274 32.014 29.700 0.067 0.000 1.191 337 E HN -0.008 nan 8.360 nan 0.000 0.411 338 V N 3.443 123.276 119.914 -0.135 0.000 2.415 338 V HA 0.352 4.494 4.120 0.036 0.000 0.267 338 V C -0.509 175.443 176.094 -0.238 0.000 1.042 338 V CA 0.185 62.294 62.300 -0.318 0.000 1.000 338 V CB 0.095 31.445 31.823 -0.788 0.000 1.015 338 V HN 0.631 nan 8.190 nan 0.000 0.478 339 S N 3.037 118.662 115.700 -0.125 0.000 2.618 339 S HA 0.491 4.983 4.470 0.036 0.000 0.277 339 S C -0.049 174.632 174.600 0.135 0.000 1.138 339 S CA -0.752 57.464 58.200 0.026 0.000 0.844 339 S CB 2.250 65.519 63.200 0.116 0.000 1.127 339 S HN 0.651 nan 8.310 nan 0.000 0.474 340 D N 0.200 120.627 120.400 0.045 0.000 2.423 340 D HA 0.409 5.070 4.640 0.036 0.000 0.212 340 D C 0.698 176.712 176.300 -0.477 0.000 1.060 340 D CA 0.845 54.823 54.000 -0.036 0.000 0.872 340 D CB 0.781 41.605 40.800 0.040 0.000 1.012 340 D HN 0.737 nan 8.370 nan 0.000 0.503 341 G N -0.722 107.471 108.800 -1.013 0.000 2.523 341 G HA2 0.465 4.446 3.960 0.036 0.000 0.291 341 G HA3 0.465 4.446 3.960 0.036 0.000 0.291 341 G C -2.078 171.745 174.900 -1.795 0.000 1.450 341 G CA -0.419 43.503 45.100 -1.964 0.000 0.790 341 G HN 0.030 nan 8.290 nan 0.000 0.496 342 V N -0.446 118.768 119.914 -1.167 0.000 2.888 342 V HA 0.815 4.957 4.120 0.036 0.000 0.309 342 V C -1.152 174.978 176.094 0.060 0.000 1.114 342 V CA -0.738 61.344 62.300 -0.363 0.000 0.940 342 V CB 1.745 33.542 31.823 -0.044 0.000 1.021 342 V HN 1.353 nan 8.190 nan 0.000 0.426 343 V N 6.411 126.473 119.914 0.247 0.000 2.555 343 V HA 1.038 5.180 4.120 0.036 0.000 0.302 343 V C -0.036 176.134 176.094 0.126 0.000 1.038 343 V CA 0.480 62.904 62.300 0.206 0.000 0.887 343 V CB 1.494 33.413 31.823 0.160 0.000 0.991 343 V HN 1.740 nan 8.190 nan 0.000 0.434 344 A N 6.620 129.419 122.820 -0.036 0.000 2.602 344 A HA 0.864 5.206 4.320 0.036 0.000 0.290 344 A C -2.667 174.749 177.584 -0.280 0.000 1.114 344 A CA -0.875 51.072 52.037 -0.151 0.000 0.683 344 A CB 1.693 20.349 19.000 -0.572 0.000 1.281 344 A HN 0.532 nan 8.150 nan 0.000 0.416 345 P HA 0.167 nan 4.420 nan 0.000 0.226 345 P C 0.749 177.946 177.300 -0.170 0.000 1.153 345 P CA 1.766 64.781 63.100 -0.141 0.000 0.777 345 P CB 0.343 32.088 31.700 0.075 0.000 0.794 346 G N -1.814 106.796 108.800 -0.317 0.000 2.342 346 G HA2 0.461 4.443 3.960 0.036 0.000 0.297 346 G HA3 0.461 4.443 3.960 0.036 0.000 0.297 346 G C -2.336 172.207 174.900 -0.595 0.000 1.313 346 G CA -0.659 44.292 45.100 -0.247 0.000 0.830 346 G HN -0.092 nan 8.290 nan 0.000 0.506 347 Y N 0.246 120.540 120.300 -0.010 0.000 2.470 347 Y HA 0.458 5.030 4.550 0.036 0.000 0.341 347 Y C 0.300 176.198 175.900 -0.004 0.000 1.021 347 Y CA -0.843 57.254 58.100 -0.006 0.000 1.025 347 Y CB 2.128 40.580 38.460 -0.012 0.000 1.266 347 Y HN 0.576 nan 8.280 nan 0.000 0.448 348 E N 2.085 122.357 120.200 0.120 0.000 2.404 348 E HA -0.002 4.369 4.350 0.036 0.000 0.261 348 E C 0.599 177.254 176.600 0.091 0.000 1.074 348 E CA -0.146 56.302 56.400 0.080 0.000 0.917 348 E CB 0.851 30.581 29.700 0.050 0.000 0.965 348 E HN 0.757 nan 8.360 nan 0.000 0.433 349 E N 1.806 122.040 120.200 0.056 0.000 2.086 349 E HA -0.333 4.039 4.350 0.036 0.000 0.205 349 E C 1.775 178.393 176.600 0.030 0.000 1.027 349 E CA 1.789 58.211 56.400 0.037 0.000 0.830 349 E CB 0.084 29.797 29.700 0.022 0.000 0.751 349 E HN 0.535 nan 8.360 nan 0.000 0.456 350 E N -0.362 119.856 120.200 0.029 0.000 2.106 350 E HA -0.156 4.216 4.350 0.036 0.000 0.192 350 E C 1.907 178.522 176.600 0.026 0.000 0.984 350 E CA 0.912 57.324 56.400 0.019 0.000 0.806 350 E CB -0.045 29.665 29.700 0.017 0.000 0.750 350 E HN 0.264 nan 8.360 nan 0.000 0.458 351 A N 0.804 123.656 122.820 0.054 0.000 1.898 351 A HA -0.156 4.185 4.320 0.036 0.000 0.216 351 A C 2.108 179.729 177.584 0.062 0.000 1.181 351 A CA 1.169 53.253 52.037 0.078 0.000 0.620 351 A CB -0.652 18.431 19.000 0.137 0.000 0.819 351 A HN 0.371 nan 8.150 nan 0.000 0.442 352 L N 0.077 121.333 121.223 0.055 0.000 2.042 352 L HA -0.150 4.212 4.340 0.036 0.000 0.210 352 L C 2.265 179.097 176.870 -0.063 0.000 1.076 352 L CA 2.600 57.401 54.840 -0.064 0.000 0.749 352 L CB -0.594 41.431 42.059 -0.058 0.000 0.893 352 L HN 0.474 nan 8.230 nan 0.000 0.432 353 K N -0.545 119.838 120.400 -0.028 0.000 2.057 353 K HA -0.172 4.170 4.320 0.036 0.000 0.207 353 K C 2.097 178.674 176.600 -0.038 0.000 1.049 353 K CA 1.909 58.177 56.287 -0.031 0.000 0.931 353 K CB -0.210 32.280 32.500 -0.017 0.000 0.714 353 K HN 0.414 nan 8.250 nan 0.000 0.440 354 I N 1.038 121.588 120.570 -0.033 0.000 2.202 354 I HA -0.296 3.896 4.170 0.036 0.000 0.242 354 I C 2.142 178.211 176.117 -0.079 0.000 1.091 354 I CA 1.104 62.376 61.300 -0.047 0.000 1.368 354 I CB -0.186 37.794 38.000 -0.034 0.000 1.058 354 I HN 0.153 nan 8.210 nan 0.000 0.410 355 L N -0.289 120.891 121.223 -0.071 0.000 2.083 355 L HA -0.175 4.187 4.340 0.036 0.000 0.209 355 L C 2.560 179.411 176.870 -0.032 0.000 1.083 355 L CA 1.092 55.883 54.840 -0.080 0.000 0.752 355 L CB -0.581 41.474 42.059 -0.007 0.000 0.899 355 L HN 0.162 nan 8.230 nan 0.000 0.433 356 S N -0.025 115.647 115.700 -0.045 0.000 2.453 356 S HA -0.131 4.361 4.470 0.036 0.000 0.231 356 S C 1.834 176.420 174.600 -0.022 0.000 1.005 356 S CA 1.186 59.367 58.200 -0.032 0.000 0.949 356 S CB -0.080 63.084 63.200 -0.061 0.000 0.774 356 S HN 0.513 nan 8.310 nan 0.000 0.510 357 K N 1.716 122.089 120.400 -0.045 0.000 2.305 357 K HA 0.103 4.445 4.320 0.036 0.000 0.199 357 K C 0.831 177.395 176.600 -0.059 0.000 1.047 357 K CA 0.373 56.632 56.287 -0.046 0.000 0.976 357 K CB -0.032 32.439 32.500 -0.050 0.000 0.765 357 K HN 0.057 nan 8.250 nan 0.000 0.474 358 K N 2.197 122.534 120.400 -0.105 0.000 2.494 358 K HA -0.089 4.252 4.320 0.036 0.000 0.273 358 K C -0.570 176.000 176.600 -0.051 0.000 0.970 358 K CA 0.505 56.689 56.287 -0.172 0.000 0.963 358 K CB 0.255 32.460 32.500 -0.492 0.000 0.913 358 K HN 0.138 nan 8.250 nan 0.000 0.502 359 K N 3.223 123.590 120.400 -0.055 0.000 3.278 359 K HA -0.314 4.028 4.320 0.036 0.000 0.270 359 K C -0.832 175.773 176.600 0.009 0.000 0.955 359 K CA 0.907 57.196 56.287 0.003 0.000 0.723 359 K CB -1.664 30.876 32.500 0.067 0.000 1.382 359 K HN 0.951 nan 8.250 nan 0.000 0.461 360 N N -2.046 116.649 118.700 -0.009 0.000 2.708 360 N HA -0.263 4.499 4.740 0.036 0.000 0.249 360 N C 0.722 176.231 175.510 -0.001 0.000 1.097 360 N CA 1.414 54.461 53.050 -0.005 0.000 0.710 360 N CB -1.453 37.036 38.487 0.003 0.000 1.032 360 N HN 0.912 nan 8.380 nan 0.000 0.551 361 G N -1.924 106.876 108.800 -0.001 0.000 2.195 361 G HA2 -0.233 3.749 3.960 0.036 0.000 0.246 361 G HA3 -0.233 3.749 3.960 0.036 0.000 0.246 361 G C 0.785 175.692 174.900 0.012 0.000 0.984 361 G CA 0.553 45.653 45.100 -0.000 0.000 0.633 361 G HN 0.900 nan 8.290 nan 0.000 0.525 362 G N -0.719 108.098 108.800 0.029 0.000 3.126 362 G HA2 0.395 4.377 3.960 0.036 0.000 0.224 362 G HA3 0.395 4.377 3.960 0.036 0.000 0.224 362 G C 0.468 175.392 174.900 0.041 0.000 1.142 362 G CA 0.237 45.351 45.100 0.023 0.000 0.759 362 G HN 0.603 nan 8.290 nan 0.000 0.550 363 Y N 0.876 121.127 120.300 -0.082 0.000 2.712 363 Y HA 0.238 4.810 4.550 0.037 0.000 0.333 363 Y C 0.600 176.428 175.900 -0.120 0.000 1.225 363 Y CA -1.307 56.726 58.100 -0.112 0.000 1.499 363 Y CB 0.508 38.888 38.460 -0.133 0.000 1.288 363 Y HN 0.032 nan 8.280 nan 0.000 0.575 364 C N 7.715 126.644 119.300 -0.618 0.000 2.373 364 C HA 0.614 5.096 4.460 0.036 0.000 0.354 364 C C -0.747 173.884 174.990 -0.597 0.000 1.249 364 C CA -0.618 58.139 59.018 -0.436 0.000 1.784 364 C CB -1.855 25.739 27.740 -0.244 0.000 2.408 364 C HN 0.598 nan 8.230 nan 0.000 0.542 365 V N 8.783 128.498 119.914 -0.332 0.000 2.376 365 V HA 0.406 4.548 4.120 0.036 0.000 0.287 365 V C -0.085 175.910 176.094 -0.164 0.000 1.015 365 V CA -0.270 61.847 62.300 -0.305 0.000 0.834 365 V CB 1.166 32.743 31.823 -0.410 0.000 1.001 365 V HN 0.756 nan 8.190 nan 0.000 0.428 366 L N 4.258 125.473 121.223 -0.014 0.000 2.325 366 L HA 0.652 5.014 4.340 0.036 0.000 0.278 366 L C -0.195 176.736 176.870 0.102 0.000 1.023 366 L CA -0.483 54.363 54.840 0.010 0.000 0.811 366 L CB 1.940 44.010 42.059 0.018 0.000 1.249 366 L HN 0.626 nan 8.230 nan 0.000 0.431 367 Q N 2.837 122.652 119.800 0.025 0.000 2.331 367 Q HA 0.527 4.889 4.340 0.036 0.000 0.267 367 Q C -1.204 174.668 176.000 -0.213 0.000 1.006 367 Q CA -0.822 54.989 55.803 0.013 0.000 0.818 367 Q CB 2.128 30.917 28.738 0.085 0.000 1.276 367 Q HN 0.547 nan 8.270 nan 0.000 0.450 368 M N 3.727 123.076 119.600 -0.419 0.000 2.294 368 M HA 0.290 4.792 4.480 0.036 0.000 0.335 368 M C -1.234 174.752 176.300 -0.524 0.000 1.079 368 M CA -0.544 54.357 55.300 -0.665 0.000 0.982 368 M CB 1.546 33.323 32.600 -1.371 0.000 1.651 368 M HN 0.552 nan 8.290 nan 0.000 0.437 369 D N 6.729 126.932 120.400 -0.330 0.000 2.382 369 D HA 0.119 4.781 4.640 0.036 0.000 0.259 369 D C -1.700 174.591 176.300 -0.015 0.000 1.224 369 D CA -1.422 52.500 54.000 -0.129 0.000 0.894 369 D CB 1.196 41.967 40.800 -0.049 0.000 1.127 369 D HN 0.439 nan 8.370 nan 0.000 0.487 370 P HA -0.107 nan 4.420 nan 0.000 0.222 370 P C 0.350 177.814 177.300 0.274 0.000 1.147 370 P CA 0.946 64.262 63.100 0.360 0.000 0.790 370 P CB 0.295 32.164 31.700 0.281 0.000 0.780 371 N N -1.834 116.967 118.700 0.169 0.000 2.422 371 N HA -0.053 4.709 4.740 0.036 0.000 0.181 371 N C 0.487 176.077 175.510 0.134 0.000 1.080 371 N CA -0.365 52.758 53.050 0.121 0.000 0.893 371 N CB -0.334 38.198 38.487 0.075 0.000 0.973 371 N HN 0.126 nan 8.380 nan 0.000 0.456 372 Y N 2.834 123.164 120.300 0.050 0.000 2.712 372 Y HA -0.057 4.515 4.550 0.036 0.000 0.333 372 Y C -0.258 175.684 175.900 0.070 0.000 1.225 372 Y CA 0.142 58.264 58.100 0.036 0.000 1.499 372 Y CB 0.391 38.848 38.460 -0.004 0.000 1.288 372 Y HN -0.033 nan 8.280 nan 0.000 0.575 373 E N 8.183 127.953 120.200 -0.718 0.000 2.256 373 E HA 0.313 4.685 4.350 0.036 0.000 0.268 373 E C -2.668 173.402 176.600 -0.882 0.000 0.877 373 E CA -2.078 53.962 56.400 -0.600 0.000 0.757 373 E CB 1.693 31.240 29.700 -0.256 0.000 1.183 373 E HN 0.503 nan 8.360 nan 0.000 0.418 374 P HA 0.187 nan 4.420 nan 0.000 0.276 374 P C -0.391 176.817 177.300 -0.152 0.000 1.244 374 P CA -0.510 62.395 63.100 -0.325 0.000 0.801 374 P CB 0.913 32.590 31.700 -0.038 0.000 1.006 375 D N 1.203 121.568 120.400 -0.058 0.000 2.443 375 D HA -0.051 4.610 4.640 0.036 0.000 0.234 375 D C 1.107 177.400 176.300 -0.013 0.000 1.172 375 D CA 0.327 54.313 54.000 -0.024 0.000 0.878 375 D CB 0.220 41.026 40.800 0.011 0.000 1.204 375 D HN 0.311 nan 8.370 nan 0.000 0.453 376 D N 0.591 120.984 120.400 -0.012 0.000 2.178 376 D HA -0.099 4.562 4.640 0.036 0.000 0.201 376 D C 0.215 176.522 176.300 0.012 0.000 0.980 376 D CA 1.112 55.110 54.000 -0.003 0.000 0.842 376 D CB 0.006 40.803 40.800 -0.005 0.000 0.948 376 D HN 0.389 nan 8.370 nan 0.000 0.472 377 N N 0.030 118.739 118.700 0.016 0.000 2.466 377 N HA 0.355 5.117 4.740 0.036 0.000 0.294 377 N C -0.715 174.814 175.510 0.032 0.000 1.129 377 N CA -0.618 52.446 53.050 0.023 0.000 0.931 377 N CB 1.600 40.100 38.487 0.021 0.000 1.193 377 N HN -0.023 nan 8.380 nan 0.000 0.500 378 E N 0.763 120.985 120.200 0.037 0.000 2.321 378 E HA 0.505 4.877 4.350 0.036 0.000 0.278 378 E C -1.471 175.155 176.600 0.043 0.000 0.902 378 E CA -0.674 55.752 56.400 0.042 0.000 0.758 378 E CB 1.569 31.301 29.700 0.053 0.000 1.213 378 E HN 0.349 nan 8.360 nan 0.000 0.426 379 I N 2.123 122.718 120.570 0.042 0.000 2.465 379 I HA 0.491 4.682 4.170 0.036 0.000 0.291 379 I C -0.337 175.810 176.117 0.050 0.000 1.014 379 I CA -0.954 60.374 61.300 0.045 0.000 1.093 379 I CB 1.856 39.883 38.000 0.046 0.000 1.267 379 I HN 0.573 nan 8.210 nan 0.000 0.431 380 R N 2.746 123.279 120.500 0.055 0.000 2.686 380 R HA 0.668 5.030 4.340 0.036 0.000 0.286 380 R C -1.253 175.086 176.300 0.064 0.000 0.969 380 R CA -0.604 55.535 56.100 0.064 0.000 0.898 380 R CB 1.611 31.952 30.300 0.069 0.000 1.183 380 R HN 0.410 nan 8.270 nan 0.000 0.456 381 T N 4.148 118.745 114.554 0.071 0.000 2.749 381 T HA 0.305 4.676 4.350 0.036 0.000 0.295 381 T C -0.848 173.895 174.700 0.072 0.000 0.936 381 T CA -0.362 61.777 62.100 0.065 0.000 1.060 381 T CB 0.634 69.540 68.868 0.064 0.000 0.904 381 T HN 0.420 nan 8.240 nan 0.000 0.500 382 L N 5.289 126.559 121.223 0.077 0.000 2.381 382 L HA 0.467 4.828 4.340 0.036 0.000 0.274 382 L C -0.424 176.548 176.870 0.170 0.000 0.988 382 L CA -0.781 54.120 54.840 0.101 0.000 0.824 382 L CB 0.715 42.823 42.059 0.081 0.000 1.263 382 L HN 0.695 nan 8.230 nan 0.000 0.410 383 Y N 5.561 125.863 120.300 0.003 0.000 3.168 383 Y HA -0.179 4.392 4.550 0.036 0.000 0.207 383 Y C 1.333 177.237 175.900 0.007 0.000 1.280 383 Y CA 1.357 59.458 58.100 0.002 0.000 1.235 383 Y CB -1.128 37.331 38.460 -0.002 0.000 1.370 383 Y HN 1.182 nan 8.280 nan 0.000 0.537 384 G N -0.303 108.490 108.800 -0.011 0.000 2.205 384 G HA2 -0.333 3.649 3.960 0.036 0.000 0.269 384 G HA3 -0.333 3.649 3.960 0.036 0.000 0.269 384 G C 0.381 175.256 174.900 -0.041 0.000 0.977 384 G CA 0.569 45.629 45.100 -0.067 0.000 0.652 384 G HN 0.693 nan 8.290 nan 0.000 0.539 385 L N -0.695 120.526 121.223 -0.005 0.000 2.375 385 L HA 0.689 5.051 4.340 0.036 0.000 0.268 385 L C 0.261 177.152 176.870 0.036 0.000 1.058 385 L CA -1.083 53.765 54.840 0.014 0.000 0.803 385 L CB 1.291 43.368 42.059 0.030 0.000 1.212 385 L HN -0.022 nan 8.230 nan 0.000 0.451 386 Q N 1.926 121.747 119.800 0.034 0.000 2.325 386 Q HA 0.567 4.929 4.340 0.036 0.000 0.262 386 Q C -1.125 174.900 176.000 0.041 0.000 0.968 386 Q CA 0.029 55.856 55.803 0.041 0.000 0.877 386 Q CB 1.874 30.636 28.738 0.039 0.000 1.253 386 Q HN 0.393 nan 8.270 nan 0.000 0.448 387 L N 2.946 124.196 121.223 0.045 0.000 2.287 387 L HA 0.587 4.948 4.340 0.036 0.000 0.287 387 L C -0.544 176.352 176.870 0.043 0.000 1.022 387 L CA -0.395 54.471 54.840 0.043 0.000 0.814 387 L CB 1.137 43.224 42.059 0.045 0.000 1.217 387 L HN 0.514 nan 8.230 nan 0.000 0.420 388 M N 4.616 124.239 119.600 0.039 0.000 2.456 388 M HA 0.485 4.987 4.480 0.036 0.000 0.324 388 M C -1.210 175.111 176.300 0.036 0.000 1.124 388 M CA -0.272 55.050 55.300 0.038 0.000 0.959 388 M CB 1.944 34.563 32.600 0.033 0.000 1.692 388 M HN 0.697 nan 8.290 nan 0.000 0.444 389 Q N 2.388 122.211 119.800 0.038 0.000 2.565 389 Q HA 0.474 4.836 4.340 0.036 0.000 0.294 389 Q C -1.548 174.471 176.000 0.032 0.000 1.005 389 Q CA -1.277 54.547 55.803 0.035 0.000 0.771 389 Q CB 1.624 30.388 28.738 0.043 0.000 1.486 389 Q HN 0.600 nan 8.270 nan 0.000 0.422 390 K N 1.646 122.061 120.400 0.025 0.000 2.451 390 K HA 0.062 4.403 4.320 0.036 0.000 0.280 390 K C 0.121 176.739 176.600 0.030 0.000 1.020 390 K CA -0.100 56.200 56.287 0.021 0.000 1.008 390 K CB 0.573 33.079 32.500 0.011 0.000 0.917 390 K HN 0.692 nan 8.250 nan 0.000 0.478 391 R N 2.247 122.768 120.500 0.035 0.000 2.801 391 R HA 0.006 4.368 4.340 0.036 0.000 0.273 391 R C 0.010 176.330 176.300 0.034 0.000 1.080 391 R CA -0.435 55.695 56.100 0.050 0.000 1.197 391 R CB 0.206 30.543 30.300 0.061 0.000 1.109 391 R HN 0.388 nan 8.270 nan 0.000 0.535 392 N N 1.029 119.752 118.700 0.038 0.000 2.482 392 N HA 0.030 4.792 4.740 0.036 0.000 0.242 392 N C -0.973 174.531 175.510 -0.010 0.000 1.100 392 N CA -0.163 52.884 53.050 -0.006 0.000 0.946 392 N CB 0.254 38.716 38.487 -0.042 0.000 1.227 392 N HN 0.509 nan 8.380 nan 0.000 0.508 393 N N 1.370 120.062 118.700 -0.013 0.000 2.238 393 N HA 0.113 4.875 4.740 0.036 0.000 0.222 393 N C -0.396 175.095 175.510 -0.031 0.000 1.133 393 N CA -0.191 52.853 53.050 -0.010 0.000 0.854 393 N CB 0.459 38.941 38.487 -0.009 0.000 1.041 393 N HN 0.525 nan 8.380 nan 0.000 0.510 394 A N 0.734 123.522 122.820 -0.053 0.000 2.561 394 A HA 0.094 4.436 4.320 0.036 0.000 0.251 394 A C 0.464 178.007 177.584 -0.068 0.000 1.062 394 A CA 0.179 52.174 52.037 -0.071 0.000 0.761 394 A CB 0.055 18.998 19.000 -0.094 0.000 0.986 394 A HN 0.027 nan 8.150 nan 0.000 0.510 395 V N 5.450 125.323 119.914 -0.069 0.000 2.432 395 V HA 0.171 4.313 4.120 0.036 0.000 0.271 395 V C 0.354 176.391 176.094 -0.095 0.000 1.046 395 V CA 0.032 62.292 62.300 -0.066 0.000 0.945 395 V CB 0.809 32.594 31.823 -0.063 0.000 0.992 395 V HN 0.669 nan 8.190 nan 0.000 0.471 396 I N 6.490 127.012 120.570 -0.081 0.000 2.297 396 I HA 0.431 4.623 4.170 0.036 0.000 0.291 396 I C -0.235 175.820 176.117 -0.103 0.000 1.033 396 I CA -0.139 61.094 61.300 -0.111 0.000 1.253 396 I CB 1.005 38.970 38.000 -0.058 0.000 1.396 396 I HN 0.795 nan 8.210 nan 0.000 0.476 397 D N 4.844 125.135 120.400 -0.182 0.000 3.009 397 D HA 0.237 4.899 4.640 0.036 0.000 0.318 397 D C 0.664 176.822 176.300 -0.238 0.000 1.273 397 D CA -0.828 53.096 54.000 -0.126 0.000 1.001 397 D CB 0.445 41.200 40.800 -0.075 0.000 1.411 397 D HN 0.367 nan 8.370 nan 0.000 0.577 398 R N -0.275 120.181 120.500 -0.074 0.000 2.189 398 R HA 0.026 4.387 4.340 0.036 0.000 0.218 398 R C 1.514 177.756 176.300 -0.096 0.000 1.074 398 R CA 1.451 57.571 56.100 0.033 0.000 0.991 398 R CB -0.729 29.631 30.300 0.099 0.000 0.883 398 R HN 0.375 nan 8.270 nan 0.000 0.457 399 S N 1.140 116.749 115.700 -0.151 0.000 2.474 399 S HA -0.084 4.407 4.470 0.036 0.000 0.235 399 S C 1.813 176.265 174.600 -0.247 0.000 0.997 399 S CA 0.628 58.741 58.200 -0.144 0.000 0.949 399 S CB -0.178 62.956 63.200 -0.111 0.000 0.766 399 S HN 0.293 nan 8.310 nan 0.000 0.517 400 L N 0.305 121.226 121.223 -0.503 0.000 2.456 400 L HA 0.288 4.650 4.340 0.036 0.000 0.224 400 L C 0.502 177.034 176.870 -0.562 0.000 1.148 400 L CA 1.222 55.686 54.840 -0.626 0.000 0.825 400 L CB -0.635 40.891 42.059 -0.888 0.000 0.937 400 L HN 0.316 nan 8.230 nan 0.000 0.450 401 F N -1.665 118.272 119.950 -0.022 0.000 2.708 401 F HA 0.277 4.826 4.527 0.037 0.000 0.300 401 F C 1.688 177.480 175.800 -0.014 0.000 1.118 401 F CA -0.459 57.531 58.000 -0.018 0.000 1.307 401 F CB -0.664 38.318 39.000 -0.030 0.000 0.986 401 F HN -0.079 nan 8.300 nan 0.000 0.522 402 K N 0.097 120.540 120.400 0.072 0.000 2.288 402 K HA -0.110 4.232 4.320 0.036 0.000 0.201 402 K C 0.669 177.300 176.600 0.052 0.000 1.048 402 K CA 0.747 57.062 56.287 0.048 0.000 0.956 402 K CB -0.066 32.436 32.500 0.004 0.000 0.746 402 K HN 0.023 nan 8.250 nan 0.000 0.461 403 N N 1.465 120.203 118.700 0.063 0.000 3.234 403 N HA 0.149 4.911 4.740 0.036 0.000 0.272 403 N C -1.163 174.385 175.510 0.064 0.000 1.254 403 N CA -0.152 52.932 53.050 0.056 0.000 1.087 403 N CB -0.022 38.498 38.487 0.055 0.000 1.356 403 N HN -0.007 nan 8.380 nan 0.000 0.511 404 I N 1.978 122.578 120.570 0.050 0.000 2.379 404 I HA 0.004 4.196 4.170 0.036 0.000 0.290 404 I C 1.428 177.547 176.117 0.003 0.000 1.063 404 I CA -0.396 60.922 61.300 0.030 0.000 1.351 404 I CB 1.100 39.121 38.000 0.036 0.000 1.410 404 I HN 0.250 nan 8.210 nan 0.000 0.505 405 V N 1.480 121.372 119.914 -0.036 0.000 3.644 405 V HA 0.078 4.220 4.120 0.036 0.000 0.267 405 V C 0.987 177.050 176.094 -0.051 0.000 1.277 405 V CA 0.137 62.408 62.300 -0.048 0.000 1.096 405 V CB -0.639 31.125 31.823 -0.097 0.000 0.828 405 V HN 0.759 nan 8.190 nan 0.000 0.446 406 T N -1.905 112.618 114.554 -0.052 0.000 2.847 406 T HA 0.350 4.722 4.350 0.036 0.000 0.279 406 T C 0.791 175.479 174.700 -0.019 0.000 0.984 406 T CA -0.399 61.678 62.100 -0.038 0.000 0.988 406 T CB 1.586 70.429 68.868 -0.042 0.000 1.040 406 T HN 0.238 nan 8.240 nan 0.000 0.528 407 K N 0.438 120.828 120.400 -0.017 0.000 2.155 407 K HA -0.002 4.340 4.320 0.036 0.000 0.203 407 K C 0.306 176.902 176.600 -0.006 0.000 1.052 407 K CA 0.548 56.829 56.287 -0.010 0.000 0.948 407 K CB -0.155 32.338 32.500 -0.011 0.000 0.728 407 K HN 0.541 nan 8.250 nan 0.000 0.448 408 N N 2.563 121.256 118.700 -0.011 0.000 2.416 408 N HA -0.016 4.745 4.740 0.036 0.000 0.271 408 N C 0.171 175.690 175.510 0.015 0.000 1.245 408 N CA 0.399 53.447 53.050 -0.003 0.000 0.940 408 N CB 1.141 39.615 38.487 -0.021 0.000 1.175 408 N HN -0.034 nan 8.380 nan 0.000 0.483 409 K N -0.039 120.375 120.400 0.024 0.000 2.404 409 K HA 0.085 4.427 4.320 0.036 0.000 0.194 409 K C 0.010 176.644 176.600 0.057 0.000 1.023 409 K CA 0.108 56.416 56.287 0.035 0.000 1.094 409 K CB 0.213 32.727 32.500 0.023 0.000 0.841 409 K HN 0.378 nan 8.250 nan 0.000 0.523 410 T N 1.586 116.186 114.554 0.078 0.000 2.708 410 T HA -0.013 4.359 4.350 0.036 0.000 0.271 410 T C -0.395 174.419 174.700 0.189 0.000 0.985 410 T CA 0.471 62.646 62.100 0.125 0.000 1.229 410 T CB -0.030 68.927 68.868 0.148 0.000 0.934 410 T HN -0.056 nan 8.240 nan 0.000 0.522 411 L N 7.721 128.971 121.223 0.044 0.000 2.470 411 L HA 0.359 4.721 4.340 0.036 0.000 0.256 411 L C -2.142 174.614 176.870 -0.189 0.000 1.357 411 L CA -1.759 53.007 54.840 -0.123 0.000 0.902 411 L CB 1.072 43.071 42.059 -0.099 0.000 1.121 411 L HN 0.364 nan 8.230 nan 0.000 0.507 412 P HA 0.125 nan 4.420 nan 0.000 0.272 412 P C 0.399 177.561 177.300 -0.229 0.000 1.230 412 P CA -0.138 62.854 63.100 -0.181 0.000 0.788 412 P CB 1.168 32.785 31.700 -0.138 0.000 0.949 413 E N 0.729 120.846 120.200 -0.138 0.000 2.171 413 E HA -0.182 4.190 4.350 0.036 0.000 0.197 413 E C 1.959 178.466 176.600 -0.154 0.000 0.997 413 E CA 1.963 58.292 56.400 -0.120 0.000 0.810 413 E CB -0.545 29.117 29.700 -0.064 0.000 0.738 413 E HN 0.543 nan 8.360 nan 0.000 0.467 414 S N -0.561 115.039 115.700 -0.166 0.000 2.402 414 S HA -0.045 4.447 4.470 0.036 0.000 0.229 414 S C 2.179 176.621 174.600 -0.264 0.000 1.021 414 S CA 0.823 58.929 58.200 -0.155 0.000 0.974 414 S CB -0.215 62.928 63.200 -0.096 0.000 0.800 414 S HN 0.289 nan 8.310 nan 0.000 0.484 415 A N 1.862 124.383 122.820 -0.498 0.000 1.873 415 A HA 0.101 4.443 4.320 0.036 0.000 0.215 415 A C 2.420 179.654 177.584 -0.584 0.000 1.186 415 A CA 1.532 53.071 52.037 -0.830 0.000 0.616 415 A CB -1.219 16.751 19.000 -1.718 0.000 0.823 415 A HN 0.413 nan 8.150 nan 0.000 0.442 416 V N 0.489 120.120 119.914 -0.472 0.000 2.252 416 V HA -0.325 3.816 4.120 0.036 0.000 0.249 416 V C 2.690 178.662 176.094 -0.203 0.000 1.056 416 V CA 2.498 64.583 62.300 -0.358 0.000 1.022 416 V CB -0.884 30.858 31.823 -0.136 0.000 0.641 416 V HN 0.691 nan 8.190 nan 0.000 0.445 417 R N -0.015 120.403 120.500 -0.138 0.000 2.094 417 R HA -0.235 4.127 4.340 0.036 0.000 0.239 417 R C 2.041 178.296 176.300 -0.075 0.000 1.137 417 R CA 2.453 58.511 56.100 -0.069 0.000 0.943 417 R CB -0.478 29.788 30.300 -0.057 0.000 0.850 417 R HN 0.532 nan 8.270 nan 0.000 0.433 418 D N 0.378 120.703 120.400 -0.126 0.000 2.149 418 D HA -0.101 4.561 4.640 0.036 0.000 0.201 418 D C 2.044 178.285 176.300 -0.099 0.000 0.972 418 D CA 0.883 54.825 54.000 -0.096 0.000 0.835 418 D CB -0.126 40.617 40.800 -0.095 0.000 0.966 418 D HN 0.276 nan 8.370 nan 0.000 0.476 419 L N 0.380 121.480 121.223 -0.204 0.000 2.083 419 L HA -0.107 4.254 4.340 0.036 0.000 0.209 419 L C 2.450 179.338 176.870 0.031 0.000 1.083 419 L CA 0.625 55.340 54.840 -0.208 0.000 0.752 419 L CB -0.221 41.428 42.059 -0.683 0.000 0.899 419 L HN 0.012 nan 8.230 nan 0.000 0.433 420 I N -1.041 119.589 120.570 0.100 0.000 2.179 420 I HA -0.279 3.913 4.170 0.036 0.000 0.242 420 I C 2.431 178.609 176.117 0.101 0.000 1.088 420 I CA 1.126 62.549 61.300 0.205 0.000 1.357 420 I CB -0.244 37.861 38.000 0.174 0.000 1.051 420 I HN 0.006 nan 8.210 nan 0.000 0.409 421 V N 0.980 120.923 119.914 0.049 0.000 2.295 421 V HA -0.309 3.833 4.120 0.036 0.000 0.246 421 V C 2.723 178.843 176.094 0.044 0.000 1.049 421 V CA 2.016 64.340 62.300 0.039 0.000 1.024 421 V CB -1.055 30.777 31.823 0.015 0.000 0.648 421 V HN 0.504 nan 8.190 nan 0.000 0.447 422 A N -0.437 122.399 122.820 0.027 0.000 1.892 422 A HA -0.247 4.095 4.320 0.036 0.000 0.218 422 A C 2.488 180.097 177.584 0.042 0.000 1.188 422 A CA 2.578 54.629 52.037 0.024 0.000 0.631 422 A CB -0.746 18.254 19.000 0.000 0.000 0.822 422 A HN 0.517 nan 8.150 nan 0.000 0.447 423 S N -0.536 115.204 115.700 0.068 0.000 2.371 423 S HA -0.009 4.483 4.470 0.036 0.000 0.224 423 S C 1.823 176.446 174.600 0.038 0.000 1.029 423 S CA 1.225 59.462 58.200 0.063 0.000 0.978 423 S CB -0.414 62.860 63.200 0.124 0.000 0.833 423 S HN 0.523 nan 8.310 nan 0.000 0.466 424 I N 1.705 122.316 120.570 0.068 0.000 2.252 424 I HA -0.193 3.999 4.170 0.036 0.000 0.245 424 I C 2.675 178.885 176.117 0.156 0.000 1.102 424 I CA 1.039 62.400 61.300 0.101 0.000 1.385 424 I CB -0.450 37.618 38.000 0.114 0.000 1.064 424 I HN 0.256 nan 8.210 nan 0.000 0.414 425 A N 0.345 123.239 122.820 0.123 0.000 1.877 425 A HA -0.164 4.178 4.320 0.036 0.000 0.216 425 A C 2.455 180.093 177.584 0.090 0.000 1.186 425 A CA 1.679 53.797 52.037 0.135 0.000 0.620 425 A CB -1.021 18.031 19.000 0.087 0.000 0.822 425 A HN 0.225 nan 8.150 nan 0.000 0.443 426 V N 0.308 120.247 119.914 0.041 0.000 2.332 426 V HA -0.295 3.847 4.120 0.036 0.000 0.248 426 V C 2.551 178.615 176.094 -0.051 0.000 1.055 426 V CA 2.437 64.743 62.300 0.010 0.000 1.038 426 V CB -0.600 31.225 31.823 0.003 0.000 0.651 426 V HN 0.693 nan 8.190 nan 0.000 0.450 427 K N -0.843 119.477 120.400 -0.133 0.000 2.160 427 K HA -0.211 4.131 4.320 0.036 0.000 0.206 427 K C 1.138 177.300 176.600 -0.730 0.000 1.047 427 K CA 1.922 57.971 56.287 -0.397 0.000 0.930 427 K CB -0.118 32.088 32.500 -0.489 0.000 0.720 427 K HN 0.592 nan 8.250 nan 0.000 0.450 428 Y N 0.188 120.384 120.300 -0.174 0.000 2.720 428 Y HA 0.133 4.704 4.550 0.036 0.000 0.277 428 Y C 0.064 175.951 175.900 -0.020 0.000 1.144 428 Y CA -0.347 57.570 58.100 -0.305 0.000 1.221 428 Y CB 0.849 39.306 38.460 -0.004 0.000 1.163 428 Y HN -0.068 nan 8.280 nan 0.000 0.537 429 T N -1.256 113.364 114.554 0.111 0.000 2.855 429 T HA 0.337 4.709 4.350 0.036 0.000 0.281 429 T C -0.193 174.642 174.700 0.224 0.000 1.007 429 T CA -0.915 61.286 62.100 0.168 0.000 1.009 429 T CB 1.289 70.191 68.868 0.057 0.000 0.983 429 T HN -0.077 nan 8.240 nan 0.000 0.455 430 Q N 2.612 122.524 119.800 0.186 0.000 2.330 430 Q HA 0.265 4.627 4.340 0.036 0.000 0.279 430 Q C 0.215 176.178 176.000 -0.062 0.000 1.024 430 Q CA 0.232 56.058 55.803 0.038 0.000 0.900 430 Q CB 0.798 29.585 28.738 0.081 0.000 1.221 430 Q HN 0.761 nan 8.270 nan 0.000 0.396 431 S N 1.959 117.460 115.700 -0.332 0.000 2.672 431 S HA 0.253 4.745 4.470 0.036 0.000 0.276 431 S C 0.316 174.874 174.600 -0.071 0.000 1.207 431 S CA -0.865 57.173 58.200 -0.271 0.000 1.002 431 S CB 0.604 63.468 63.200 -0.559 0.000 0.998 431 S HN 0.696 nan 8.310 nan 0.000 0.542 432 N N 0.325 118.975 118.700 -0.083 0.000 2.444 432 N HA 0.307 5.068 4.740 0.036 0.000 0.255 432 N C -1.014 174.514 175.510 0.031 0.000 1.255 432 N CA -0.345 52.667 53.050 -0.064 0.000 0.933 432 N CB 0.255 38.728 38.487 -0.023 0.000 1.143 432 N HN 0.388 nan 8.380 nan 0.000 0.453 433 S N -0.786 114.960 115.700 0.077 0.000 2.546 433 S HA 0.659 5.151 4.470 0.036 0.000 0.274 433 S C -1.103 173.551 174.600 0.088 0.000 1.121 433 S CA -0.872 57.376 58.200 0.080 0.000 0.887 433 S CB 1.564 64.802 63.200 0.063 0.000 1.094 433 S HN 0.462 nan 8.310 nan 0.000 0.474 434 V N 1.053 121.025 119.914 0.097 0.000 2.709 434 V HA 0.648 4.790 4.120 0.036 0.000 0.308 434 V C -0.857 175.280 176.094 0.072 0.000 1.062 434 V CA -0.652 61.694 62.300 0.076 0.000 0.901 434 V CB 1.740 33.633 31.823 0.116 0.000 1.003 434 V HN 1.120 nan 8.190 nan 0.000 0.425 435 C N 5.516 124.818 119.300 0.004 0.000 2.396 435 C HA 0.757 5.239 4.460 0.036 0.000 0.321 435 C C -1.027 173.939 174.990 -0.040 0.000 1.233 435 C CA -0.624 58.420 59.018 0.044 0.000 1.440 435 C CB 0.376 28.138 27.740 0.036 0.000 2.110 435 C HN 0.784 nan 8.230 nan 0.000 0.473 436 Y N 3.671 123.965 120.300 -0.010 0.000 2.323 436 Y HA 0.662 5.234 4.550 0.037 0.000 0.331 436 Y C 0.634 176.469 175.900 -0.109 0.000 1.092 436 Y CA 0.026 58.100 58.100 -0.044 0.000 1.150 436 Y CB 1.503 39.931 38.460 -0.053 0.000 1.200 436 Y HN 0.949 nan 8.280 nan 0.000 0.472 437 A N 2.925 125.757 122.820 0.021 0.000 2.539 437 A HA 0.895 5.237 4.320 0.036 0.000 0.296 437 A C -1.441 176.084 177.584 -0.100 0.000 1.073 437 A CA -0.857 51.133 52.037 -0.079 0.000 0.700 437 A CB 2.083 21.054 19.000 -0.049 0.000 1.296 437 A HN 0.564 nan 8.150 nan 0.000 0.405 438 K N 0.891 121.195 120.400 -0.160 0.000 2.572 438 K HA 0.502 4.844 4.320 0.036 0.000 0.263 438 K C -1.360 175.207 176.600 -0.055 0.000 0.932 438 K CA 0.049 56.270 56.287 -0.111 0.000 0.838 438 K CB 1.010 33.400 32.500 -0.184 0.000 1.366 438 K HN 0.607 nan 8.250 nan 0.000 0.425 439 D N 3.090 123.500 120.400 0.017 0.000 2.772 439 D HA -0.165 4.497 4.640 0.036 0.000 0.233 439 D C 0.583 176.916 176.300 0.055 0.000 1.143 439 D CA 2.270 56.312 54.000 0.071 0.000 0.700 439 D CB -1.261 39.642 40.800 0.171 0.000 1.076 439 D HN 1.166 nan 8.370 nan 0.000 0.430 440 G N -0.286 108.522 108.800 0.013 0.000 2.143 440 G HA2 -0.302 3.679 3.960 0.036 0.000 0.249 440 G HA3 -0.302 3.679 3.960 0.036 0.000 0.249 440 G C 0.099 175.008 174.900 0.015 0.000 0.981 440 G CA 0.946 46.055 45.100 0.016 0.000 0.665 440 G HN 0.825 nan 8.290 nan 0.000 0.528 441 Q N -1.059 118.732 119.800 -0.015 0.000 2.416 441 Q HA 0.732 5.094 4.340 0.036 0.000 0.281 441 Q C -0.414 175.521 176.000 -0.108 0.000 1.067 441 Q CA -1.183 54.602 55.803 -0.031 0.000 0.809 441 Q CB 2.226 30.965 28.738 0.001 0.000 1.418 441 Q HN 0.343 nan 8.270 nan 0.000 0.411 442 V N 3.459 123.327 119.914 -0.076 0.000 2.540 442 V HA -0.036 4.105 4.120 0.036 0.000 0.297 442 V C 1.085 177.018 176.094 -0.268 0.000 1.024 442 V CA 0.762 62.999 62.300 -0.104 0.000 1.105 442 V CB 0.001 31.808 31.823 -0.026 0.000 0.938 442 V HN 0.859 nan 8.190 nan 0.000 0.482 443 I N 2.045 122.397 120.570 -0.363 0.000 4.187 443 I HA 0.626 4.818 4.170 0.036 0.000 0.326 443 I C 0.790 176.777 176.117 -0.216 0.000 1.302 443 I CA 0.378 61.287 61.300 -0.651 0.000 1.196 443 I CB 0.786 38.056 38.000 -1.217 0.000 1.095 443 I HN 0.614 nan 8.210 nan 0.000 0.411 444 G N 2.168 110.946 108.800 -0.037 0.000 2.728 444 G HA2 0.611 4.593 3.960 0.036 0.000 0.294 444 G HA3 0.611 4.593 3.960 0.036 0.000 0.294 444 G C -1.888 173.118 174.900 0.177 0.000 1.398 444 G CA -0.347 44.788 45.100 0.058 0.000 1.183 444 G HN 0.177 nan 8.290 nan 0.000 0.578 445 I N 1.757 122.408 120.570 0.135 0.000 2.569 445 I HA 0.765 4.956 4.170 0.036 0.000 0.290 445 I C 0.127 176.318 176.117 0.123 0.000 1.088 445 I CA -0.779 60.600 61.300 0.131 0.000 1.047 445 I CB 2.101 40.144 38.000 0.071 0.000 1.237 445 I HN 0.663 nan 8.210 nan 0.000 0.421 446 G N 5.598 114.478 108.800 0.134 0.000 2.379 446 G HA2 0.792 4.773 3.960 0.036 0.000 0.327 446 G HA3 0.792 4.773 3.960 0.036 0.000 0.327 446 G C -1.335 173.618 174.900 0.088 0.000 1.145 446 G CA -0.424 44.746 45.100 0.117 0.000 0.905 446 G HN 0.839 nan 8.290 nan 0.000 0.466 447 A N 0.778 123.642 122.820 0.075 0.000 2.435 447 A HA 0.835 5.177 4.320 0.036 0.000 0.304 447 A C 0.889 178.508 177.584 0.059 0.000 1.064 447 A CA 0.161 52.235 52.037 0.062 0.000 0.727 447 A CB 1.357 20.391 19.000 0.057 0.000 1.284 447 A HN 2.474 nan 8.150 nan 0.000 0.415 448 G N 0.281 109.112 108.800 0.052 0.000 2.155 448 G HA2 -0.201 3.781 3.960 0.036 0.000 0.257 448 G HA3 -0.201 3.781 3.960 0.036 0.000 0.257 448 G C 0.204 175.131 174.900 0.045 0.000 0.983 448 G CA 0.710 45.847 45.100 0.061 0.000 0.676 448 G HN 0.801 nan 8.290 nan 0.000 0.528 449 Q N -0.907 118.918 119.800 0.043 0.000 2.171 449 Q HA 0.590 4.951 4.340 0.036 0.000 0.217 449 Q C 1.134 177.149 176.000 0.025 0.000 0.995 449 Q CA -0.218 55.611 55.803 0.043 0.000 0.979 449 Q CB 0.484 29.269 28.738 0.078 0.000 1.152 449 Q HN 0.572 nan 8.270 nan 0.000 0.525 450 Q N -0.565 119.254 119.800 0.032 0.000 2.103 450 Q HA 0.227 4.589 4.340 0.036 0.000 0.219 450 Q C -0.498 175.536 176.000 0.056 0.000 0.784 450 Q CA -0.079 55.731 55.803 0.012 0.000 1.014 450 Q CB 1.393 30.122 28.738 -0.014 0.000 1.183 450 Q HN 0.494 nan 8.270 nan 0.000 0.469 451 S N -0.528 115.245 115.700 0.121 0.000 2.546 451 S HA 0.426 4.918 4.470 0.036 0.000 0.272 451 S C -0.123 174.605 174.600 0.213 0.000 1.140 451 S CA -0.596 57.726 58.200 0.204 0.000 0.920 451 S CB 2.034 65.457 63.200 0.370 0.000 1.083 451 S HN 0.144 nan 8.310 nan 0.000 0.476 452 R N 2.596 123.218 120.500 0.203 0.000 2.070 452 R HA 0.061 4.423 4.340 0.036 0.000 0.233 452 R C 1.919 178.338 176.300 0.198 0.000 1.137 452 R CA 2.210 58.436 56.100 0.211 0.000 0.945 452 R CB -1.074 29.378 30.300 0.252 0.000 0.845 452 R HN 0.747 nan 8.270 nan 0.000 0.430 453 I N 0.430 121.089 120.570 0.149 0.000 2.286 453 I HA -0.215 3.977 4.170 0.036 0.000 0.248 453 I C 1.435 177.528 176.117 -0.040 0.000 1.115 453 I CA 1.783 63.095 61.300 0.021 0.000 1.392 453 I CB -0.513 37.445 38.000 -0.071 0.000 1.065 453 I HN 0.303 nan 8.210 nan 0.000 0.418 454 H N -1.696 117.433 119.070 0.099 0.000 2.423 454 H HA -0.142 4.435 4.556 0.036 0.000 0.297 454 H C 2.453 177.837 175.328 0.092 0.000 1.075 454 H CA 1.790 57.886 56.048 0.080 0.000 1.342 454 H CB -0.459 29.341 29.762 0.064 0.000 1.395 454 H HN 0.451 nan 8.280 nan 0.000 0.530 455 C N 0.158 119.583 119.300 0.209 0.000 2.476 455 C HA -0.135 4.347 4.460 0.036 0.000 0.278 455 C C 2.725 177.828 174.990 0.189 0.000 1.274 455 C CA 1.570 60.695 59.018 0.178 0.000 1.713 455 C CB -0.885 26.951 27.740 0.161 0.000 2.039 455 C HN 0.589 nan 8.230 nan 0.000 0.484 456 T N 0.430 115.094 114.554 0.183 0.000 2.720 456 T HA -0.174 4.198 4.350 0.036 0.000 0.268 456 T C 1.932 176.767 174.700 0.225 0.000 1.037 456 T CA 1.519 63.743 62.100 0.207 0.000 1.144 456 T CB -0.281 68.650 68.868 0.106 0.000 0.864 456 T HN 0.599 nan 8.240 nan 0.000 0.444 457 R N 0.211 120.787 120.500 0.127 0.000 2.066 457 R HA 0.020 4.382 4.340 0.036 0.000 0.232 457 R C 2.463 178.823 176.300 0.100 0.000 1.131 457 R CA 1.088 57.240 56.100 0.088 0.000 0.955 457 R CB -0.625 29.700 30.300 0.041 0.000 0.851 457 R HN 0.255 nan 8.270 nan 0.000 0.432 458 L N 0.770 122.069 121.223 0.127 0.000 2.012 458 L HA -0.128 4.234 4.340 0.036 0.000 0.210 458 L C 2.258 179.194 176.870 0.109 0.000 1.073 458 L CA 2.159 57.066 54.840 0.113 0.000 0.748 458 L CB -0.608 41.524 42.059 0.121 0.000 0.891 458 L HN 0.141 nan 8.230 nan 0.000 0.431 459 A N -0.406 122.517 122.820 0.172 0.000 1.902 459 A HA -0.041 4.300 4.320 0.036 0.000 0.217 459 A C 2.346 179.915 177.584 -0.025 0.000 1.181 459 A CA 1.496 53.658 52.037 0.209 0.000 0.623 459 A CB -1.672 17.585 19.000 0.428 0.000 0.818 459 A HN 0.564 nan 8.150 nan 0.000 0.443 460 G N -0.238 108.512 108.800 -0.084 0.000 2.440 460 G HA2 -0.273 3.709 3.960 0.036 0.000 0.218 460 G HA3 -0.273 3.709 3.960 0.036 0.000 0.218 460 G C 1.120 175.862 174.900 -0.263 0.000 1.154 460 G CA 1.369 46.163 45.100 -0.510 0.000 0.767 460 G HN 0.494 nan 8.290 nan 0.000 0.552 461 D N 0.090 120.446 120.400 -0.073 0.000 2.178 461 D HA -0.001 4.661 4.640 0.036 0.000 0.202 461 D C 2.524 178.840 176.300 0.026 0.000 0.974 461 D CA 0.740 54.735 54.000 -0.007 0.000 0.841 461 D CB 0.037 40.853 40.800 0.026 0.000 0.953 461 D HN 0.286 nan 8.370 nan 0.000 0.478 462 K N 0.181 120.595 120.400 0.023 0.000 2.097 462 K HA 0.014 4.356 4.320 0.036 0.000 0.205 462 K C 2.089 178.755 176.600 0.110 0.000 1.050 462 K CA 0.972 57.307 56.287 0.079 0.000 0.938 462 K CB -0.033 32.516 32.500 0.083 0.000 0.718 462 K HN 0.053 nan 8.250 nan 0.000 0.442 463 A N 1.897 124.699 122.820 -0.031 0.000 1.930 463 A HA -0.188 4.154 4.320 0.036 0.000 0.217 463 A C 1.744 179.455 177.584 0.212 0.000 1.175 463 A CA 1.515 53.552 52.037 0.000 0.000 0.627 463 A CB -0.676 18.086 19.000 -0.396 0.000 0.815 463 A HN 0.358 nan 8.150 nan 0.000 0.443 464 N N -0.051 118.719 118.700 0.117 0.000 2.061 464 N HA -0.147 4.615 4.740 0.036 0.000 0.193 464 N C 1.903 177.601 175.510 0.313 0.000 1.030 464 N CA 1.569 54.749 53.050 0.218 0.000 0.856 464 N CB -0.140 38.420 38.487 0.121 0.000 1.023 464 N HN 0.437 nan 8.380 nan 0.000 0.424 465 S N -0.058 115.795 115.700 0.254 0.000 2.383 465 S HA -0.139 4.352 4.470 0.036 0.000 0.227 465 S C 1.370 176.180 174.600 0.351 0.000 1.026 465 S CA 0.698 59.047 58.200 0.249 0.000 0.981 465 S CB -0.294 63.023 63.200 0.195 0.000 0.818 465 S HN 0.518 nan 8.310 nan 0.000 0.472 466 W N 1.321 122.775 121.300 0.256 0.000 2.381 466 W HA -0.068 4.614 4.660 0.037 0.000 0.301 466 W C 2.108 178.972 176.519 0.575 0.000 1.205 466 W CA 0.993 58.541 57.345 0.338 0.000 1.285 466 W CB -0.482 29.146 29.460 0.281 0.000 1.133 466 W HN 0.385 nan 8.180 nan 0.000 0.521 467 W N 0.722 122.269 121.300 0.411 0.000 2.379 467 W HA -0.209 4.472 4.660 0.036 0.000 0.307 467 W C 1.843 178.674 176.519 0.519 0.000 1.200 467 W CA 1.336 58.820 57.345 0.231 0.000 1.297 467 W CB -0.557 29.059 29.460 0.260 0.000 1.140 467 W HN -0.158 nan 8.180 nan 0.000 0.507 468 L N 0.708 122.149 121.223 0.364 0.000 2.187 468 L HA -0.214 4.148 4.340 0.036 0.000 0.213 468 L C 2.477 179.341 176.870 -0.010 0.000 1.100 468 L CA 1.296 56.211 54.840 0.124 0.000 0.765 468 L CB -0.707 41.418 42.059 0.109 0.000 0.904 468 L HN -0.061 nan 8.230 nan 0.000 0.437 469 R N -1.226 119.308 120.500 0.058 0.000 2.316 469 R HA -0.098 4.263 4.340 0.036 0.000 0.202 469 R C 1.468 177.634 176.300 -0.222 0.000 1.029 469 R CA 0.543 56.611 56.100 -0.052 0.000 1.018 469 R CB -0.157 30.112 30.300 -0.053 0.000 0.888 469 R HN 0.436 nan 8.270 nan 0.000 0.471 470 H N -1.744 117.158 119.070 -0.281 0.000 2.575 470 H HA 0.073 4.651 4.556 0.036 0.000 0.267 470 H C 0.219 175.270 175.328 -0.460 0.000 0.966 470 H CA -0.035 55.832 56.048 -0.302 0.000 1.165 470 H CB 0.044 29.611 29.762 -0.325 0.000 1.433 470 H HN 0.086 nan 8.280 nan 0.000 0.544 471 H N 1.984 120.590 119.070 -0.773 0.000 3.034 471 H HA -0.044 4.534 4.556 0.036 0.000 0.324 471 H C -1.646 173.241 175.328 -0.734 0.000 1.015 471 H CA -1.345 53.852 56.048 -1.418 0.000 1.429 471 H CB 1.276 30.283 29.762 -1.258 0.000 1.429 471 H HN 0.136 nan 8.280 nan 0.000 0.585 472 P HA -0.159 nan 4.420 nan 0.000 0.217 472 P C 1.535 178.732 177.300 -0.171 0.000 1.148 472 P CA 1.442 64.319 63.100 -0.372 0.000 0.828 472 P CB 0.025 31.505 31.700 -0.366 0.000 0.783 473 R N -0.370 120.151 120.500 0.035 0.000 2.148 473 R HA -0.077 4.285 4.340 0.036 0.000 0.227 473 R C 1.687 177.921 176.300 -0.110 0.000 1.103 473 R CA 1.102 57.203 56.100 0.001 0.000 0.983 473 R CB -0.459 29.867 30.300 0.044 0.000 0.874 473 R HN 0.059 nan 8.270 nan 0.000 0.451 474 V N 0.669 120.530 119.914 -0.087 0.000 2.446 474 V HA -0.143 3.999 4.120 0.036 0.000 0.244 474 V C 2.174 178.215 176.094 -0.087 0.000 1.039 474 V CA 1.184 63.425 62.300 -0.098 0.000 1.045 474 V CB -0.249 31.560 31.823 -0.023 0.000 0.681 474 V HN 0.302 nan 8.190 nan 0.000 0.459 475 L N 1.124 122.274 121.223 -0.123 0.000 2.127 475 L HA -0.123 4.238 4.340 0.036 0.000 0.211 475 L C 2.161 178.970 176.870 -0.102 0.000 1.089 475 L CA 1.846 56.612 54.840 -0.123 0.000 0.757 475 L CB -0.599 41.367 42.059 -0.155 0.000 0.899 475 L HN 0.545 nan 8.230 nan 0.000 0.434 476 S N -1.976 113.658 115.700 -0.109 0.000 2.572 476 S HA 0.249 4.741 4.470 0.036 0.000 0.228 476 S C 0.616 175.150 174.600 -0.108 0.000 0.963 476 S CA -0.460 57.678 58.200 -0.103 0.000 0.939 476 S CB -0.167 62.969 63.200 -0.106 0.000 0.804 476 S HN 0.154 nan 8.310 nan 0.000 0.480 477 M N 2.010 121.546 119.600 -0.107 0.000 2.238 477 M HA 0.227 4.729 4.480 0.036 0.000 0.350 477 M C -0.378 175.856 176.300 -0.110 0.000 1.321 477 M CA 0.406 55.608 55.300 -0.164 0.000 1.097 477 M CB 0.333 32.831 32.600 -0.170 0.000 1.713 477 M HN -0.054 nan 8.290 nan 0.000 0.455 478 K N 3.709 124.022 120.400 -0.145 0.000 2.404 478 K HA 0.415 4.757 4.320 0.036 0.000 0.257 478 K C -1.258 175.254 176.600 -0.147 0.000 1.026 478 K CA -0.007 56.235 56.287 -0.075 0.000 0.951 478 K CB 0.595 33.059 32.500 -0.061 0.000 1.203 478 K HN 0.310 nan 8.250 nan 0.000 0.446 479 F N 1.501 121.375 119.950 -0.128 0.000 2.406 479 F HA 0.253 4.802 4.527 0.036 0.000 0.327 479 F C 1.176 176.865 175.800 -0.185 0.000 1.153 479 F CA -0.469 57.355 58.000 -0.292 0.000 1.218 479 F CB 0.684 39.462 39.000 -0.370 0.000 1.215 479 F HN 0.147 nan 8.300 nan 0.000 0.570 480 K N 1.163 121.546 120.400 -0.028 0.000 2.319 480 K HA 0.398 4.740 4.320 0.036 0.000 0.265 480 K C -0.212 176.379 176.600 -0.014 0.000 1.000 480 K CA -0.495 55.774 56.287 -0.029 0.000 0.943 480 K CB 0.523 32.992 32.500 -0.052 0.000 0.950 480 K HN 0.691 nan 8.250 nan 0.000 0.485 481 A N 1.130 123.939 122.820 -0.018 0.000 2.450 481 A HA 0.448 4.789 4.320 0.036 0.000 0.255 481 A C 1.018 178.585 177.584 -0.029 0.000 1.096 481 A CA 0.636 52.660 52.037 -0.021 0.000 0.778 481 A CB -0.282 18.708 19.000 -0.017 0.000 1.031 481 A HN 0.888 nan 8.150 nan 0.000 0.494 482 G N 1.081 109.860 108.800 -0.036 0.000 2.192 482 G HA2 -0.094 3.888 3.960 0.036 0.000 0.193 482 G HA3 -0.094 3.888 3.960 0.036 0.000 0.193 482 G C -0.021 174.850 174.900 -0.049 0.000 0.999 482 G CA -0.058 45.020 45.100 -0.036 0.000 0.659 482 G HN 1.283 nan 8.290 nan 0.000 0.503 483 V N 2.251 122.123 119.914 -0.070 0.000 2.383 483 V HA 0.390 4.532 4.120 0.036 0.000 0.275 483 V C 0.870 176.889 176.094 -0.126 0.000 1.036 483 V CA -0.585 61.654 62.300 -0.102 0.000 0.889 483 V CB 1.422 33.166 31.823 -0.133 0.000 0.985 483 V HN 0.294 nan 8.190 nan 0.000 0.459 484 K N 4.043 124.384 120.400 -0.098 0.000 2.219 484 K HA 0.270 4.612 4.320 0.036 0.000 0.258 484 K C 1.238 177.768 176.600 -0.117 0.000 1.008 484 K CA -0.604 55.637 56.287 -0.077 0.000 0.928 484 K CB 0.728 33.212 32.500 -0.025 0.000 0.983 484 K HN 0.496 nan 8.250 nan 0.000 0.484 485 R N 0.968 121.416 120.500 -0.086 0.000 2.103 485 R HA -0.222 4.140 4.340 0.036 0.000 0.242 485 R C 1.999 178.263 176.300 -0.061 0.000 1.142 485 R CA 1.894 57.939 56.100 -0.093 0.000 0.960 485 R CB -0.786 29.490 30.300 -0.039 0.000 0.858 485 R HN 0.732 nan 8.270 nan 0.000 0.439 486 A N 1.271 124.104 122.820 0.021 0.000 1.968 486 A HA -0.140 4.202 4.320 0.036 0.000 0.217 486 A C 2.006 179.596 177.584 0.010 0.000 1.169 486 A CA 1.128 53.221 52.037 0.094 0.000 0.638 486 A CB -0.206 18.945 19.000 0.251 0.000 0.812 486 A HN 0.356 nan 8.150 nan 0.000 0.446 487 E N -0.462 119.714 120.200 -0.041 0.000 2.072 487 E HA -0.084 4.288 4.350 0.036 0.000 0.190 487 E C 1.947 178.471 176.600 -0.127 0.000 0.982 487 E CA 1.030 57.392 56.400 -0.062 0.000 0.803 487 E CB -0.178 29.479 29.700 -0.072 0.000 0.755 487 E HN 0.347 nan 8.360 nan 0.000 0.453 488 V N 0.912 120.642 119.914 -0.306 0.000 2.332 488 V HA -0.290 3.852 4.120 0.036 0.000 0.248 488 V C 2.225 178.168 176.094 -0.252 0.000 1.055 488 V CA 1.954 63.874 62.300 -0.633 0.000 1.038 488 V CB -0.391 30.915 31.823 -0.861 0.000 0.651 488 V HN 0.214 nan 8.190 nan 0.000 0.450 489 S N 0.150 115.785 115.700 -0.109 0.000 2.368 489 S HA -0.145 4.347 4.470 0.036 0.000 0.224 489 S C 1.846 176.497 174.600 0.086 0.000 1.029 489 S CA 1.301 59.509 58.200 0.014 0.000 0.988 489 S CB -0.385 62.841 63.200 0.043 0.000 0.838 489 S HN 0.646 nan 8.310 nan 0.000 0.462 490 N N 2.273 121.018 118.700 0.075 0.000 2.106 490 N HA 0.006 4.768 4.740 0.036 0.000 0.188 490 N C 1.907 177.552 175.510 0.224 0.000 1.029 490 N CA 1.271 54.388 53.050 0.111 0.000 0.848 490 N CB -0.820 37.706 38.487 0.065 0.000 1.007 490 N HN 0.382 nan 8.380 nan 0.000 0.423 491 A N 1.621 124.620 122.820 0.298 0.000 1.873 491 A HA -0.134 4.208 4.320 0.036 0.000 0.218 491 A C 2.361 180.383 177.584 0.730 0.000 1.193 491 A CA 1.286 53.697 52.037 0.622 0.000 0.629 491 A CB -0.879 18.409 19.000 0.479 0.000 0.826 491 A HN 0.237 nan 8.150 nan 0.000 0.447 492 I N -0.599 120.272 120.570 0.502 0.000 2.315 492 I HA -0.232 3.960 4.170 0.036 0.000 0.248 492 I C 2.260 178.581 176.117 0.339 0.000 1.117 492 I CA 1.792 63.361 61.300 0.447 0.000 1.404 492 I CB -0.412 37.773 38.000 0.308 0.000 1.071 492 I HN 0.480 nan 8.210 nan 0.000 0.419 493 D N 0.566 121.112 120.400 0.243 0.000 2.092 493 D HA -0.250 4.411 4.640 0.036 0.000 0.193 493 D C 2.221 178.602 176.300 0.135 0.000 0.994 493 D CA 1.595 55.696 54.000 0.168 0.000 0.828 493 D CB 0.041 40.919 40.800 0.130 0.000 0.963 493 D HN 0.291 nan 8.370 nan 0.000 0.450 494 Q N -1.290 118.596 119.800 0.143 0.000 2.096 494 Q HA -0.224 4.138 4.340 0.036 0.000 0.204 494 Q C 1.949 177.900 176.000 -0.081 0.000 0.982 494 Q CA 1.509 57.320 55.803 0.014 0.000 0.850 494 Q CB -0.313 28.420 28.738 -0.009 0.000 0.901 494 Q HN 0.506 nan 8.270 nan 0.000 0.422 495 Y N 0.913 121.156 120.300 -0.094 0.000 2.089 495 Y HA -0.239 4.333 4.550 0.036 0.000 0.282 495 Y C 2.165 178.000 175.900 -0.108 0.000 1.139 495 Y CA 1.719 59.727 58.100 -0.154 0.000 1.123 495 Y CB -0.362 38.187 38.460 0.150 0.000 0.980 495 Y HN 0.029 nan 8.280 nan 0.000 0.493 496 V N -1.946 117.973 119.914 0.008 0.000 2.970 496 V HA -0.085 4.057 4.120 0.036 0.000 0.260 496 V C 1.660 177.702 176.094 -0.086 0.000 1.100 496 V CA 1.974 64.223 62.300 -0.085 0.000 1.122 496 V CB -1.480 30.389 31.823 0.077 0.000 0.721 496 V HN 0.620 nan 8.190 nan 0.000 0.483 497 T N -3.239 111.278 114.554 -0.063 0.000 3.069 497 T HA 0.401 4.772 4.350 0.036 0.000 0.252 497 T C 1.529 176.167 174.700 -0.102 0.000 1.053 497 T CA 0.525 62.595 62.100 -0.050 0.000 0.964 497 T CB 0.054 68.918 68.868 -0.005 0.000 1.005 497 T HN 1.604 nan 8.240 nan 0.000 0.532 498 G N 2.300 110.991 108.800 -0.182 0.000 2.314 498 G HA2 -0.239 3.743 3.960 0.036 0.000 0.292 498 G HA3 -0.239 3.743 3.960 0.036 0.000 0.292 498 G C 0.411 175.213 174.900 -0.162 0.000 1.059 498 G CA 0.516 45.489 45.100 -0.212 0.000 0.982 498 G HN 1.162 nan 8.290 nan 0.000 0.505 499 T N -2.947 111.513 114.554 -0.156 0.000 3.339 499 T HA 0.494 4.866 4.350 0.036 0.000 0.292 499 T C 1.930 176.545 174.700 -0.141 0.000 1.012 499 T CA 0.329 62.361 62.100 -0.113 0.000 0.937 499 T CB 0.064 68.897 68.868 -0.057 0.000 1.164 499 T HN 0.247 nan 8.240 nan 0.000 0.509 500 I N 1.913 122.328 120.570 -0.259 0.000 2.286 500 I HA 0.229 4.420 4.170 0.036 0.000 0.248 500 I C 1.783 177.814 176.117 -0.143 0.000 1.115 500 I CA 1.517 62.617 61.300 -0.334 0.000 1.392 500 I CB -0.598 36.978 38.000 -0.707 0.000 1.065 500 I HN 0.770 nan 8.210 nan 0.000 0.418 501 G N 0.925 109.651 108.800 -0.123 0.000 2.566 501 G HA2 -0.114 3.868 3.960 0.036 0.000 0.599 501 G HA3 -0.114 3.868 3.960 0.036 0.000 0.599 501 G C -0.780 174.091 174.900 -0.049 0.000 1.292 501 G CA -0.372 44.692 45.100 -0.059 0.000 0.922 501 G HN 0.412 nan 8.290 nan 0.000 0.514 502 E N -0.047 120.141 120.200 -0.021 0.000 2.355 502 E HA 0.742 5.114 4.350 0.036 0.000 0.261 502 E C 0.136 176.743 176.600 0.012 0.000 0.943 502 E CA -0.395 55.999 56.400 -0.009 0.000 0.806 502 E CB 1.674 31.364 29.700 -0.017 0.000 1.286 502 E HN 0.656 nan 8.360 nan 0.000 0.424 503 D N 0.202 120.612 120.400 0.018 0.000 3.685 503 D HA -0.265 4.397 4.640 0.036 0.000 0.152 503 D C 1.242 177.566 176.300 0.040 0.000 0.966 503 D CA 1.555 55.569 54.000 0.024 0.000 1.085 503 D CB -0.885 39.924 40.800 0.016 0.000 0.521 503 D HN 0.708 nan 8.370 nan 0.000 0.543 504 E N 0.939 121.161 120.200 0.036 0.000 2.108 504 E HA -0.221 4.151 4.350 0.036 0.000 0.203 504 E C 1.584 178.224 176.600 0.067 0.000 1.022 504 E CA 2.137 58.565 56.400 0.045 0.000 0.823 504 E CB -0.442 29.279 29.700 0.036 0.000 0.744 504 E HN 0.489 nan 8.360 nan 0.000 0.456 505 D N 0.596 121.035 120.400 0.065 0.000 2.117 505 D HA -0.115 4.547 4.640 0.036 0.000 0.198 505 D C 1.988 178.375 176.300 0.146 0.000 0.982 505 D CA 0.302 54.356 54.000 0.089 0.000 0.828 505 D CB -0.380 40.452 40.800 0.054 0.000 0.967 505 D HN 0.042 nan 8.370 nan 0.000 0.464 506 L N 0.945 122.239 121.223 0.119 0.000 2.012 506 L HA -0.137 4.225 4.340 0.036 0.000 0.210 506 L C 2.328 179.350 176.870 0.252 0.000 1.073 506 L CA 1.197 56.145 54.840 0.180 0.000 0.748 506 L CB -0.916 41.205 42.059 0.104 0.000 0.891 506 L HN -0.062 nan 8.230 nan 0.000 0.431 507 V N -0.197 119.812 119.914 0.158 0.000 2.287 507 V HA -0.345 3.797 4.120 0.036 0.000 0.248 507 V C 2.613 178.792 176.094 0.142 0.000 1.053 507 V CA 1.986 64.363 62.300 0.128 0.000 1.027 507 V CB -0.494 31.376 31.823 0.079 0.000 0.646 507 V HN 0.454 nan 8.190 nan 0.000 0.447 508 K N -1.608 118.883 120.400 0.151 0.000 2.057 508 K HA -0.246 4.095 4.320 0.036 0.000 0.207 508 K C 1.934 178.647 176.600 0.188 0.000 1.049 508 K CA 1.984 58.353 56.287 0.136 0.000 0.931 508 K CB -0.308 32.265 32.500 0.122 0.000 0.714 508 K HN 0.632 nan 8.250 nan 0.000 0.440 509 W N 2.350 123.710 121.300 0.101 0.000 2.355 509 W HA -0.195 4.487 4.660 0.036 0.000 0.309 509 W C 1.913 178.595 176.519 0.271 0.000 1.206 509 W CA 1.462 58.909 57.345 0.170 0.000 1.284 509 W CB -0.147 29.412 29.460 0.166 0.000 1.145 509 W HN 0.054 nan 8.180 nan 0.000 0.502 510 Q N -0.102 119.820 119.800 0.204 0.000 2.170 510 Q HA -0.171 4.190 4.340 0.036 0.000 0.203 510 Q C 2.359 178.364 176.000 0.007 0.000 0.976 510 Q CA 1.652 57.448 55.803 -0.012 0.000 0.858 510 Q CB -0.663 28.137 28.738 0.105 0.000 0.907 510 Q HN 0.381 nan 8.270 nan 0.000 0.433 511 A N 0.490 123.318 122.820 0.013 0.000 2.076 511 A HA -0.203 4.138 4.320 0.036 0.000 0.220 511 A C 1.942 179.478 177.584 -0.079 0.000 1.160 511 A CA 1.208 53.236 52.037 -0.015 0.000 0.653 511 A CB -0.409 18.593 19.000 0.003 0.000 0.801 511 A HN 0.310 nan 8.150 nan 0.000 0.455 512 M N -1.614 117.879 119.600 -0.179 0.000 2.435 512 M HA 0.053 4.555 4.480 0.036 0.000 0.262 512 M C -0.566 175.398 176.300 -0.560 0.000 1.065 512 M CA 1.006 56.067 55.300 -0.400 0.000 1.076 512 M CB -0.288 31.892 32.600 -0.699 0.000 1.403 512 M HN 0.311 nan 8.290 nan 0.000 0.454 513 F N -1.433 118.313 119.950 -0.340 0.000 2.538 513 F HA 0.291 4.840 4.527 0.036 0.000 0.325 513 F C 1.334 176.983 175.800 -0.252 0.000 1.066 513 F CA -0.856 56.899 58.000 -0.409 0.000 0.946 513 F CB 0.935 39.576 39.000 -0.598 0.000 1.199 513 F HN -0.150 nan 8.300 nan 0.000 0.473 514 E N 0.288 120.470 120.200 -0.029 0.000 2.112 514 E HA -0.037 4.335 4.350 0.036 0.000 0.190 514 E C -0.392 176.177 176.600 -0.051 0.000 0.979 514 E CA 0.905 57.281 56.400 -0.039 0.000 0.814 514 E CB 0.249 29.925 29.700 -0.041 0.000 0.762 514 E HN 0.565 nan 8.360 nan 0.000 0.460 515 E N 0.574 120.730 120.200 -0.074 0.000 2.216 515 E HA 0.220 4.591 4.350 0.036 0.000 0.260 515 E C -1.400 175.056 176.600 -0.239 0.000 0.880 515 E CA -0.369 55.956 56.400 -0.125 0.000 0.765 515 E CB 2.546 32.172 29.700 -0.122 0.000 1.174 515 E HN -0.149 nan 8.360 nan 0.000 0.417 516 V N 5.875 125.634 119.914 -0.259 0.000 2.421 516 V HA 0.119 4.260 4.120 0.036 0.000 0.271 516 V C -1.670 174.160 176.094 -0.440 0.000 1.031 516 V CA -1.094 60.934 62.300 -0.453 0.000 1.032 516 V CB -0.324 31.348 31.823 -0.251 0.000 1.009 516 V HN 0.589 nan 8.190 nan 0.000 0.477 517 P HA 0.339 nan 4.420 nan 0.000 0.279 517 P C -0.355 176.862 177.300 -0.137 0.000 1.239 517 P CA -0.343 62.513 63.100 -0.408 0.000 0.789 517 P CB 1.062 32.398 31.700 -0.606 0.000 0.933 518 A N 3.133 125.915 122.820 -0.062 0.000 2.548 518 A HA 0.001 4.342 4.320 0.036 0.000 0.247 518 A C 0.651 178.316 177.584 0.135 0.000 1.067 518 A CA 0.016 52.063 52.037 0.018 0.000 0.757 518 A CB -0.554 18.438 19.000 -0.014 0.000 0.996 518 A HN 0.642 nan 8.150 nan 0.000 0.504 519 Q N 1.536 121.413 119.800 0.127 0.000 2.361 519 Q HA 0.305 4.667 4.340 0.036 0.000 0.276 519 Q C -0.420 175.507 176.000 -0.122 0.000 1.022 519 Q CA 0.010 55.830 55.803 0.028 0.000 0.898 519 Q CB 0.357 29.014 28.738 -0.135 0.000 1.246 519 Q HN 0.723 nan 8.270 nan 0.000 0.410 520 L N 2.580 123.613 121.223 -0.317 0.000 2.439 520 L HA 0.189 4.550 4.340 0.036 0.000 0.269 520 L C 0.617 177.364 176.870 -0.206 0.000 1.179 520 L CA -0.341 54.337 54.840 -0.271 0.000 0.828 520 L CB 0.749 42.568 42.059 -0.399 0.000 1.106 520 L HN 0.778 nan 8.230 nan 0.000 0.467 521 T N -1.869 112.608 114.554 -0.129 0.000 2.899 521 T HA 0.175 4.547 4.350 0.036 0.000 0.284 521 T C 0.911 175.565 174.700 -0.077 0.000 1.004 521 T CA -0.808 61.238 62.100 -0.091 0.000 1.043 521 T CB 1.463 70.299 68.868 -0.053 0.000 1.013 521 T HN 0.611 nan 8.240 nan 0.000 0.518 522 E N 0.979 121.142 120.200 -0.062 0.000 2.108 522 E HA -0.271 4.101 4.350 0.036 0.000 0.203 522 E C 2.391 178.985 176.600 -0.010 0.000 1.022 522 E CA 1.853 58.230 56.400 -0.038 0.000 0.823 522 E CB -0.532 29.150 29.700 -0.030 0.000 0.744 522 E HN 0.816 nan 8.360 nan 0.000 0.456 523 A N 0.853 123.670 122.820 -0.005 0.000 1.877 523 A HA -0.267 4.075 4.320 0.036 0.000 0.216 523 A C 1.956 179.566 177.584 0.043 0.000 1.186 523 A CA 1.831 53.878 52.037 0.018 0.000 0.620 523 A CB -0.465 18.543 19.000 0.013 0.000 0.822 523 A HN 0.218 nan 8.150 nan 0.000 0.443 524 E N -0.311 119.908 120.200 0.032 0.000 2.072 524 E HA -0.152 4.220 4.350 0.036 0.000 0.191 524 E C 2.093 178.759 176.600 0.109 0.000 0.985 524 E CA 1.203 57.645 56.400 0.071 0.000 0.801 524 E CB -0.128 29.581 29.700 0.015 0.000 0.750 524 E HN 0.563 nan 8.360 nan 0.000 0.452 525 K N 1.115 121.533 120.400 0.030 0.000 2.020 525 K HA -0.186 4.156 4.320 0.036 0.000 0.212 525 K C 2.122 178.813 176.600 0.150 0.000 1.050 525 K CA 1.428 57.750 56.287 0.058 0.000 0.929 525 K CB -0.062 32.424 32.500 -0.024 0.000 0.714 525 K HN -0.037 nan 8.250 nan 0.000 0.443 526 K N 0.694 121.154 120.400 0.099 0.000 2.063 526 K HA -0.237 4.105 4.320 0.036 0.000 0.208 526 K C 2.341 179.021 176.600 0.133 0.000 1.048 526 K CA 1.503 57.849 56.287 0.099 0.000 0.928 526 K CB -0.068 32.466 32.500 0.057 0.000 0.713 526 K HN 0.243 nan 8.250 nan 0.000 0.442 527 Q N 0.088 119.979 119.800 0.152 0.000 2.079 527 Q HA -0.181 4.180 4.340 0.036 0.000 0.200 527 Q C 1.906 178.051 176.000 0.242 0.000 0.974 527 Q CA 1.140 57.041 55.803 0.164 0.000 0.840 527 Q CB -0.074 28.757 28.738 0.154 0.000 0.898 527 Q HN 0.520 nan 8.270 nan 0.000 0.430 528 W N 0.901 122.283 121.300 0.138 0.000 2.355 528 W HA -0.203 4.479 4.660 0.036 0.000 0.309 528 W C 1.569 178.306 176.519 0.364 0.000 1.206 528 W CA 1.092 58.544 57.345 0.177 0.000 1.284 528 W CB -0.187 29.373 29.460 0.168 0.000 1.145 528 W HN 0.170 nan 8.180 nan 0.000 0.502 529 I N 1.494 122.265 120.570 0.335 0.000 2.286 529 I HA -0.286 3.906 4.170 0.036 0.000 0.248 529 I C 2.589 178.774 176.117 0.114 0.000 1.115 529 I CA 1.512 63.006 61.300 0.322 0.000 1.392 529 I CB -0.806 37.346 38.000 0.254 0.000 1.065 529 I HN -0.048 nan 8.210 nan 0.000 0.418 530 A N 0.197 123.060 122.820 0.073 0.000 2.216 530 A HA -0.139 4.203 4.320 0.036 0.000 0.214 530 A C 2.141 179.692 177.584 -0.054 0.000 1.160 530 A CA 1.105 53.142 52.037 0.000 0.000 0.725 530 A CB -0.388 18.623 19.000 0.018 0.000 0.784 530 A HN 0.350 nan 8.150 nan 0.000 0.472 531 K N -1.221 119.143 120.400 -0.061 0.000 2.365 531 K HA 0.133 4.475 4.320 0.036 0.000 0.197 531 K C 0.056 176.489 176.600 -0.279 0.000 1.042 531 K CA -0.152 56.058 56.287 -0.128 0.000 0.987 531 K CB -0.055 32.326 32.500 -0.199 0.000 0.779 531 K HN 0.397 nan 8.250 nan 0.000 0.484 532 L N 1.820 122.727 121.223 -0.528 0.000 2.349 532 L HA 0.105 4.467 4.340 0.036 0.000 0.275 532 L C -0.037 176.555 176.870 -0.463 0.000 1.115 532 L CA 0.608 54.900 54.840 -0.914 0.000 0.820 532 L CB 0.851 42.045 42.059 -1.442 0.000 1.135 532 L HN 0.110 nan 8.230 nan 0.000 0.445 533 T N 1.512 115.840 114.554 -0.377 0.000 2.865 533 T HA 0.714 5.086 4.350 0.036 0.000 0.294 533 T C 0.310 174.903 174.700 -0.179 0.000 1.119 533 T CA -0.438 61.522 62.100 -0.233 0.000 1.007 533 T CB 1.444 70.211 68.868 -0.169 0.000 1.225 533 T HN 1.568 nan 8.240 nan 0.000 0.515 534 A N -0.136 122.590 122.820 -0.156 0.000 2.832 534 A HA -0.040 4.302 4.320 0.036 0.000 0.280 534 A C 0.386 178.030 177.584 0.101 0.000 1.464 534 A CA 0.567 52.602 52.037 -0.004 0.000 0.804 534 A CB -2.639 16.441 19.000 0.134 0.000 1.020 534 A HN 1.219 nan 8.150 nan 0.000 0.563 535 V N 0.634 120.536 119.914 -0.021 0.000 2.732 535 V HA 0.492 4.634 4.120 0.036 0.000 0.297 535 V C 0.987 177.151 176.094 0.118 0.000 1.060 535 V CA 0.363 62.679 62.300 0.028 0.000 1.038 535 V CB 1.765 33.589 31.823 0.000 0.000 1.003 535 V HN 0.612 nan 8.190 nan 0.000 0.481 536 S N 3.853 119.625 115.700 0.119 0.000 2.549 536 S HA 0.758 5.250 4.470 0.036 0.000 0.297 536 S C -0.618 173.985 174.600 0.004 0.000 1.115 536 S CA -0.440 57.827 58.200 0.110 0.000 1.059 536 S CB 1.466 64.690 63.200 0.040 0.000 1.046 536 S HN 0.595 nan 8.310 nan 0.000 0.506 537 L N 1.948 123.150 121.223 -0.035 0.000 2.408 537 L HA 0.772 5.134 4.340 0.036 0.000 0.268 537 L C -0.651 176.187 176.870 -0.053 0.000 0.986 537 L CA -0.071 54.679 54.840 -0.149 0.000 0.820 537 L CB 2.106 43.992 42.059 -0.289 0.000 1.303 537 L HN 0.627 nan 8.230 nan 0.000 0.411 538 S N 2.325 117.988 115.700 -0.061 0.000 2.521 538 S HA 0.731 5.223 4.470 0.036 0.000 0.295 538 S C -1.119 173.468 174.600 -0.021 0.000 1.098 538 S CA -0.423 57.772 58.200 -0.010 0.000 0.999 538 S CB 1.650 64.859 63.200 0.014 0.000 1.034 538 S HN 0.753 nan 8.310 nan 0.000 0.483 539 S N 1.851 117.520 115.700 -0.051 0.000 2.513 539 S HA 0.395 4.887 4.470 0.036 0.000 0.299 539 S C 0.389 174.924 174.600 -0.107 0.000 1.087 539 S CA -0.629 57.528 58.200 -0.072 0.000 1.012 539 S CB 1.199 64.258 63.200 -0.235 0.000 1.044 539 S HN 0.846 nan 8.310 nan 0.000 0.485 540 D N 2.574 122.951 120.400 -0.038 0.000 2.347 540 D HA 0.267 4.929 4.640 0.036 0.000 0.215 540 D C 0.510 176.683 176.300 -0.211 0.000 0.976 540 D CA 0.477 54.445 54.000 -0.053 0.000 0.884 540 D CB -0.040 40.816 40.800 0.094 0.000 0.915 540 D HN 0.556 nan 8.370 nan 0.000 0.526 541 A N -0.468 122.212 122.820 -0.234 0.000 2.569 541 A HA 0.578 4.920 4.320 0.036 0.000 0.290 541 A C -0.683 176.638 177.584 -0.439 0.000 1.136 541 A CA -1.092 50.687 52.037 -0.429 0.000 0.710 541 A CB 0.545 19.265 19.000 -0.468 0.000 1.303 541 A HN 0.118 nan 8.150 nan 0.000 0.413 542 F N -0.772 118.994 119.950 -0.307 0.000 2.539 542 F HA 0.631 5.180 4.527 0.036 0.000 0.340 542 F C -0.619 175.007 175.800 -0.289 0.000 1.185 542 F CA -1.173 56.601 58.000 -0.378 0.000 1.333 542 F CB -0.406 38.420 39.000 -0.290 0.000 1.152 542 F HN 0.242 nan 8.300 nan 0.000 0.602 543 F N 2.762 122.915 119.950 0.339 0.000 2.471 543 F HA 0.305 4.854 4.527 0.037 0.000 0.365 543 F C -1.433 174.501 175.800 0.223 0.000 1.095 543 F CA -2.486 55.656 58.000 0.238 0.000 1.174 543 F CB 0.117 39.211 39.000 0.157 0.000 1.105 543 F HN 0.315 nan 8.300 nan 0.000 0.535 544 P HA -0.044 nan 4.420 nan 0.000 0.225 544 P C -0.392 176.528 177.300 -0.633 0.000 1.156 544 P CA 1.274 64.292 63.100 -0.138 0.000 0.787 544 P CB 0.310 31.916 31.700 -0.158 0.000 0.802 545 F N -1.742 118.329 119.950 0.201 0.000 2.668 545 F HA 0.342 4.891 4.527 0.037 0.000 0.309 545 F C 1.650 177.485 175.800 0.060 0.000 1.117 545 F CA -1.187 56.876 58.000 0.104 0.000 0.951 545 F CB 1.204 40.246 39.000 0.069 0.000 1.323 545 F HN -0.401 nan 8.300 nan 0.000 0.451 546 R N -0.304 120.337 120.500 0.234 0.000 2.189 546 R HA -0.109 4.253 4.340 0.036 0.000 0.223 546 R C 0.936 177.241 176.300 0.007 0.000 1.092 546 R CA 1.785 57.933 56.100 0.081 0.000 0.989 546 R CB -0.682 29.655 30.300 0.062 0.000 0.876 546 R HN 0.666 nan 8.270 nan 0.000 0.457 547 D N 1.176 121.604 120.400 0.046 0.000 2.239 547 D HA -0.241 4.421 4.640 0.036 0.000 0.202 547 D C 1.052 177.306 176.300 -0.077 0.000 0.993 547 D CA 1.257 55.248 54.000 -0.016 0.000 0.874 547 D CB -0.596 40.195 40.800 -0.016 0.000 0.922 547 D HN 0.332 nan 8.370 nan 0.000 0.464 548 N N 0.190 118.806 118.700 -0.141 0.000 2.142 548 N HA -0.082 4.680 4.740 0.036 0.000 0.186 548 N C 1.989 177.241 175.510 -0.430 0.000 1.023 548 N CA 1.056 53.894 53.050 -0.353 0.000 0.852 548 N CB 0.019 38.059 38.487 -0.744 0.000 0.998 548 N HN 0.184 nan 8.380 nan 0.000 0.424 549 V N 2.069 121.753 119.914 -0.383 0.000 2.379 549 V HA -0.154 3.988 4.120 0.036 0.000 0.245 549 V C 1.715 177.723 176.094 -0.143 0.000 1.044 549 V CA 1.482 63.622 62.300 -0.267 0.000 1.036 549 V CB -0.399 31.324 31.823 -0.166 0.000 0.664 549 V HN 0.165 nan 8.190 nan 0.000 0.453 550 D N 0.003 120.340 120.400 -0.105 0.000 2.117 550 D HA -0.181 4.480 4.640 0.036 0.000 0.197 550 D C 2.306 178.575 176.300 -0.051 0.000 0.987 550 D CA 1.287 55.248 54.000 -0.065 0.000 0.829 550 D CB -0.177 40.594 40.800 -0.048 0.000 0.961 550 D HN 0.242 nan 8.370 nan 0.000 0.460 551 R N 1.341 121.809 120.500 -0.054 0.000 2.066 551 R HA -0.005 4.356 4.340 0.036 0.000 0.232 551 R C 2.022 178.344 176.300 0.036 0.000 1.131 551 R CA 1.727 57.820 56.100 -0.012 0.000 0.955 551 R CB -0.785 29.513 30.300 -0.003 0.000 0.851 551 R HN 0.060 nan 8.270 nan 0.000 0.432 552 A N 0.758 123.593 122.820 0.024 0.000 1.877 552 A HA -0.185 4.157 4.320 0.036 0.000 0.216 552 A C 2.070 179.690 177.584 0.060 0.000 1.186 552 A CA 1.962 54.072 52.037 0.121 0.000 0.620 552 A CB -0.636 18.341 19.000 -0.039 0.000 0.822 552 A HN 0.321 nan 8.150 nan 0.000 0.443 553 K N 0.196 120.581 120.400 -0.025 0.000 2.113 553 K HA -0.130 4.212 4.320 0.036 0.000 0.208 553 K C 1.936 178.511 176.600 -0.041 0.000 1.047 553 K CA 1.773 58.030 56.287 -0.051 0.000 0.928 553 K CB -0.352 32.109 32.500 -0.064 0.000 0.716 553 K HN 0.476 nan 8.250 nan 0.000 0.446 554 R N -0.739 119.748 120.500 -0.021 0.000 2.316 554 R HA 0.015 4.377 4.340 0.036 0.000 0.202 554 R C 0.741 177.026 176.300 -0.024 0.000 1.029 554 R CA 0.729 56.817 56.100 -0.020 0.000 1.018 554 R CB -0.021 30.274 30.300 -0.009 0.000 0.888 554 R HN 0.164 nan 8.270 nan 0.000 0.471 555 I N -0.695 119.859 120.570 -0.028 0.000 3.833 555 I HA 0.267 4.459 4.170 0.036 0.000 0.328 555 I C 0.466 176.521 176.117 -0.104 0.000 1.554 555 I CA 0.085 61.343 61.300 -0.069 0.000 1.116 555 I CB 0.744 38.671 38.000 -0.122 0.000 1.182 555 I HN 0.221 nan 8.210 nan 0.000 0.459 556 G N 0.677 109.416 108.800 -0.103 0.000 2.132 556 G HA2 -0.195 3.787 3.960 0.036 0.000 0.234 556 G HA3 -0.195 3.787 3.960 0.036 0.000 0.234 556 G C 0.270 175.086 174.900 -0.139 0.000 0.989 556 G CA 0.132 45.138 45.100 -0.158 0.000 0.676 556 G HN 0.268 nan 8.290 nan 0.000 0.522 557 V N 0.646 120.518 119.914 -0.070 0.000 2.540 557 V HA 0.259 4.400 4.120 0.036 0.000 0.297 557 V C 1.353 177.315 176.094 -0.221 0.000 1.024 557 V CA 1.731 63.983 62.300 -0.080 0.000 1.105 557 V CB 1.585 33.404 31.823 -0.007 0.000 0.938 557 V HN 0.586 nan 8.190 nan 0.000 0.482 558 Q N 3.565 123.115 119.800 -0.416 0.000 2.288 558 Q HA 0.274 4.635 4.340 0.036 0.000 0.256 558 Q C -0.608 174.858 176.000 -0.891 0.000 0.835 558 Q CA 0.143 55.489 55.803 -0.761 0.000 0.958 558 Q CB 0.698 28.709 28.738 -1.213 0.000 1.125 558 Q HN 0.685 nan 8.270 nan 0.000 0.513 559 F N 0.999 120.902 119.950 -0.078 0.000 2.507 559 F HA 0.531 5.080 4.527 0.036 0.000 0.328 559 F C -0.524 175.227 175.800 -0.083 0.000 1.136 559 F CA -0.818 57.124 58.000 -0.097 0.000 0.930 559 F CB 1.311 40.226 39.000 -0.142 0.000 1.166 559 F HN -0.146 nan 8.300 nan 0.000 0.436 560 I N 3.629 124.257 120.570 0.096 0.000 2.465 560 I HA 0.550 4.742 4.170 0.036 0.000 0.291 560 I C -1.152 175.025 176.117 0.100 0.000 1.014 560 I CA -1.167 60.191 61.300 0.097 0.000 1.093 560 I CB 2.288 40.382 38.000 0.156 0.000 1.267 560 I HN 0.371 nan 8.210 nan 0.000 0.431 561 V N 6.029 126.001 119.914 0.097 0.000 2.540 561 V HA 0.953 5.095 4.120 0.036 0.000 0.302 561 V C -0.629 175.506 176.094 0.069 0.000 1.035 561 V CA -0.010 62.370 62.300 0.134 0.000 0.873 561 V CB 1.513 33.483 31.823 0.245 0.000 0.992 561 V HN 0.920 nan 8.190 nan 0.000 0.428 562 A N 6.911 129.767 122.820 0.060 0.000 2.608 562 A HA 0.913 5.255 4.320 0.036 0.000 0.292 562 A C -3.253 174.312 177.584 -0.032 0.000 1.066 562 A CA -1.420 50.558 52.037 -0.099 0.000 0.676 562 A CB 2.001 20.747 19.000 -0.424 0.000 1.277 562 A HN 0.612 nan 8.150 nan 0.000 0.413 563 P HA 0.199 nan 4.420 nan 0.000 0.267 563 P C 0.258 177.383 177.300 -0.293 0.000 1.200 563 P CA 0.279 63.291 63.100 -0.148 0.000 0.772 563 P CB 0.627 32.235 31.700 -0.153 0.000 0.855 564 S N 0.981 116.416 115.700 -0.442 0.000 2.661 564 S HA 0.595 5.087 4.470 0.036 0.000 0.265 564 S C 1.103 175.496 174.600 -0.346 0.000 1.225 564 S CA 0.185 57.942 58.200 -0.737 0.000 0.986 564 S CB 0.326 63.242 63.200 -0.474 0.000 1.008 564 S HN 0.850 nan 8.310 nan 0.000 0.565 565 G N -0.824 107.695 108.800 -0.468 0.000 2.227 565 G HA2 -0.115 3.867 3.960 0.036 0.000 0.168 565 G HA3 -0.115 3.867 3.960 0.036 0.000 0.168 565 G C 0.015 174.300 174.900 -1.025 0.000 1.006 565 G CA 0.029 44.853 45.100 -0.459 0.000 0.684 565 G HN 1.061 nan 8.290 nan 0.000 0.489 566 S N 0.089 114.964 115.700 -1.374 0.000 2.610 566 S HA 0.697 5.189 4.470 0.036 0.000 0.273 566 S C 1.819 176.071 174.600 -0.581 0.000 1.274 566 S CA 0.773 58.180 58.200 -1.322 0.000 1.023 566 S CB 1.339 63.939 63.200 -0.999 0.000 0.962 566 S HN 1.506 nan 8.310 nan 0.000 0.523 567 A N 3.439 126.015 122.820 -0.407 0.000 2.019 567 A HA 0.145 4.487 4.320 0.036 0.000 0.219 567 A C 1.913 179.389 177.584 -0.180 0.000 1.164 567 A CA 1.620 53.523 52.037 -0.224 0.000 0.644 567 A CB -0.936 17.976 19.000 -0.146 0.000 0.805 567 A HN 1.191 nan 8.150 nan 0.000 0.449 568 A N -0.738 121.943 122.820 -0.230 0.000 2.337 568 A HA 0.199 4.541 4.320 0.036 0.000 0.227 568 A C 1.203 178.746 177.584 -0.068 0.000 1.259 568 A CA 0.690 52.652 52.037 -0.126 0.000 0.870 568 A CB -0.344 18.560 19.000 -0.160 0.000 0.927 568 A HN 0.352 nan 8.150 nan 0.000 0.497 569 D N 0.801 121.138 120.400 -0.105 0.000 2.133 569 D HA -0.180 4.482 4.640 0.036 0.000 0.192 569 D C 1.668 178.010 176.300 0.071 0.000 1.001 569 D CA 1.435 55.439 54.000 0.007 0.000 0.844 569 D CB 0.067 40.840 40.800 -0.045 0.000 0.944 569 D HN 0.395 nan 8.370 nan 0.000 0.447 570 E N 0.027 120.241 120.200 0.023 0.000 2.150 570 E HA -0.065 4.306 4.350 0.036 0.000 0.193 570 E C 2.393 179.009 176.600 0.028 0.000 0.985 570 E CA 0.161 56.576 56.400 0.025 0.000 0.814 570 E CB -0.195 29.510 29.700 0.008 0.000 0.752 570 E HN 0.186 nan 8.360 nan 0.000 0.466 571 V N 0.770 120.704 119.914 0.033 0.000 2.453 571 V HA -0.169 3.972 4.120 0.036 0.000 0.247 571 V C 2.449 178.574 176.094 0.052 0.000 1.048 571 V CA 1.031 63.356 62.300 0.043 0.000 1.049 571 V CB -0.264 31.596 31.823 0.062 0.000 0.672 571 V HN 0.060 nan 8.190 nan 0.000 0.457 572 V N -0.219 119.739 119.914 0.074 0.000 2.379 572 V HA -0.203 3.939 4.120 0.036 0.000 0.245 572 V C 2.154 178.281 176.094 0.054 0.000 1.044 572 V CA 1.862 64.221 62.300 0.098 0.000 1.036 572 V CB -0.422 31.520 31.823 0.198 0.000 0.664 572 V HN 0.418 nan 8.190 nan 0.000 0.453 573 I N 0.057 120.648 120.570 0.035 0.000 2.142 573 I HA -0.231 3.961 4.170 0.036 0.000 0.240 573 I C 2.684 178.792 176.117 -0.014 0.000 1.078 573 I CA 1.710 62.998 61.300 -0.021 0.000 1.343 573 I CB -0.350 37.638 38.000 -0.021 0.000 1.046 573 I HN 0.309 nan 8.210 nan 0.000 0.405 574 E N 1.316 121.516 120.200 0.000 0.000 2.085 574 E HA -0.224 4.148 4.350 0.036 0.000 0.194 574 E C 2.091 178.686 176.600 -0.007 0.000 0.994 574 E CA 1.739 58.137 56.400 -0.003 0.000 0.801 574 E CB -0.283 29.420 29.700 0.004 0.000 0.743 574 E HN 0.434 nan 8.360 nan 0.000 0.453 575 A N -0.150 122.670 122.820 -0.001 0.000 1.883 575 A HA -0.249 4.093 4.320 0.036 0.000 0.217 575 A C 2.638 180.206 177.584 -0.028 0.000 1.186 575 A CA 1.760 53.790 52.037 -0.010 0.000 0.624 575 A CB -1.118 17.880 19.000 -0.003 0.000 0.822 575 A HN 0.493 nan 8.150 nan 0.000 0.444 576 C N -0.519 118.764 119.300 -0.029 0.000 2.440 576 C HA -0.063 4.418 4.460 0.036 0.000 0.278 576 C C 2.656 177.617 174.990 -0.048 0.000 1.295 576 C CA 0.960 59.951 59.018 -0.046 0.000 1.738 576 C CB -1.544 26.169 27.740 -0.045 0.000 1.987 576 C HN 0.634 nan 8.230 nan 0.000 0.492 577 N N 1.274 119.952 118.700 -0.037 0.000 2.069 577 N HA -0.144 4.618 4.740 0.036 0.000 0.191 577 N C 1.798 177.287 175.510 -0.035 0.000 1.031 577 N CA 1.823 54.853 53.050 -0.034 0.000 0.852 577 N CB -0.600 37.873 38.487 -0.024 0.000 1.018 577 N HN 0.771 nan 8.380 nan 0.000 0.423 578 E N 0.303 120.485 120.200 -0.031 0.000 2.285 578 E HA -0.048 4.324 4.350 0.036 0.000 0.194 578 E C 1.360 177.936 176.600 -0.039 0.000 0.997 578 E CA 0.558 56.940 56.400 -0.030 0.000 0.845 578 E CB -0.257 29.429 29.700 -0.023 0.000 0.782 578 E HN 0.314 nan 8.360 nan 0.000 0.491 579 L N 0.568 121.761 121.223 -0.049 0.000 2.592 579 L HA 0.280 4.641 4.340 0.036 0.000 0.227 579 L C 1.249 178.070 176.870 -0.082 0.000 1.127 579 L CA 0.301 55.104 54.840 -0.063 0.000 0.884 579 L CB 0.054 42.073 42.059 -0.067 0.000 1.065 579 L HN 0.407 nan 8.230 nan 0.000 0.457 580 G N 1.178 109.933 108.800 -0.077 0.000 2.160 580 G HA2 -0.296 3.686 3.960 0.036 0.000 0.251 580 G HA3 -0.296 3.686 3.960 0.036 0.000 0.251 580 G C 0.183 175.003 174.900 -0.133 0.000 1.008 580 G CA -0.009 45.036 45.100 -0.092 0.000 0.724 580 G HN 0.326 nan 8.290 nan 0.000 0.514 581 I N 1.115 121.609 120.570 -0.127 0.000 2.396 581 I HA 0.272 4.464 4.170 0.036 0.000 0.292 581 I C 0.715 176.768 176.117 -0.108 0.000 0.999 581 I CA -0.313 60.889 61.300 -0.163 0.000 1.310 581 I CB 1.380 39.302 38.000 -0.129 0.000 1.404 581 I HN 0.006 nan 8.210 nan 0.000 0.496 582 T N 7.499 121.993 114.554 -0.100 0.000 2.729 582 T HA 0.332 4.703 4.350 0.036 0.000 0.296 582 T C -0.405 174.312 174.700 0.028 0.000 0.928 582 T CA -0.221 61.889 62.100 0.018 0.000 1.045 582 T CB 0.360 69.330 68.868 0.170 0.000 0.902 582 T HN 0.189 nan 8.240 nan 0.000 0.500 583 L N 5.889 127.104 121.223 -0.012 0.000 2.313 583 L HA 0.660 5.022 4.340 0.036 0.000 0.283 583 L C -1.041 175.801 176.870 -0.047 0.000 1.013 583 L CA -0.534 54.282 54.840 -0.040 0.000 0.816 583 L CB 0.815 42.799 42.059 -0.125 0.000 1.236 583 L HN 0.551 nan 8.230 nan 0.000 0.419 584 I N 4.845 125.429 120.570 0.023 0.000 2.354 584 I HA 0.325 4.517 4.170 0.036 0.000 0.292 584 I C -0.357 175.839 176.117 0.131 0.000 0.989 584 I CA -0.244 61.109 61.300 0.088 0.000 1.188 584 I CB 1.048 39.174 38.000 0.211 0.000 1.342 584 I HN 0.577 nan 8.210 nan 0.000 0.457 585 H N 4.194 123.294 119.070 0.051 0.000 2.519 585 H HA 0.366 4.944 4.556 0.037 0.000 0.316 585 H C 0.064 175.392 175.328 0.001 0.000 1.065 585 H CA -0.636 55.421 56.048 0.015 0.000 1.264 585 H CB 1.222 30.985 29.762 0.002 0.000 1.413 585 H HN 0.636 nan 8.280 nan 0.000 0.465 586 T N 0.285 114.896 114.554 0.095 0.000 2.937 586 T HA 0.189 4.561 4.350 0.036 0.000 0.283 586 T C 0.691 175.361 174.700 -0.050 0.000 1.012 586 T CA -1.104 60.998 62.100 0.003 0.000 0.997 586 T CB 1.180 70.030 68.868 -0.031 0.000 1.136 586 T HN 0.532 nan 8.240 nan 0.000 0.551 587 N N 0.588 119.249 118.700 -0.066 0.000 2.380 587 N HA 0.220 4.982 4.740 0.036 0.000 0.255 587 N C -0.936 174.513 175.510 -0.100 0.000 1.158 587 N CA -0.233 52.768 53.050 -0.082 0.000 0.878 587 N CB 0.326 38.773 38.487 -0.067 0.000 1.138 587 N HN 0.445 nan 8.380 nan 0.000 0.509 588 L N 0.974 122.128 121.223 -0.114 0.000 2.356 588 L HA 0.349 4.711 4.340 0.036 0.000 0.264 588 L C 0.119 176.884 176.870 -0.175 0.000 1.029 588 L CA -0.584 54.176 54.840 -0.132 0.000 0.897 588 L CB 0.576 42.562 42.059 -0.122 0.000 1.256 588 L HN -0.075 nan 8.230 nan 0.000 0.444 589 R N 3.608 123.972 120.500 -0.227 0.000 2.491 589 R HA 0.354 4.716 4.340 0.036 0.000 0.283 589 R C -0.372 175.754 176.300 -0.290 0.000 1.072 589 R CA -0.052 55.835 56.100 -0.356 0.000 1.048 589 R CB 0.527 30.519 30.300 -0.512 0.000 0.983 589 R HN 0.767 nan 8.270 nan 0.000 0.450 590 L N 5.660 126.721 121.223 -0.270 0.000 3.168 590 L HA 0.289 4.651 4.340 0.036 0.000 0.277 590 L C -0.659 176.221 176.870 0.017 0.000 1.308 590 L CA -0.622 54.137 54.840 -0.134 0.000 0.976 590 L CB 0.054 42.041 42.059 -0.119 0.000 1.383 590 L HN 0.485 nan 8.230 nan 0.000 0.572 591 F N 0.183 120.079 119.950 -0.089 0.000 2.553 591 F HA 0.179 4.727 4.527 0.035 0.000 0.356 591 F C 0.698 176.460 175.800 -0.063 0.000 1.142 591 F CA -0.172 57.772 58.000 -0.094 0.000 1.322 591 F CB 0.038 39.011 39.000 -0.046 0.000 1.126 591 F HN 0.146 nan 8.300 nan 0.000 0.599 592 H N 2.516 121.508 119.070 -0.131 0.000 2.966 592 H HA 0.458 5.035 4.556 0.036 0.000 0.347 592 H C -1.207 173.881 175.328 -0.400 0.000 1.048 592 H CA -0.372 55.581 56.048 -0.158 0.000 1.295 592 H CB 0.716 30.417 29.762 -0.102 0.000 1.744 592 H HN 0.569 nan 8.280 nan 0.000 0.513 593 H N 0.000 118.882 119.070 -0.313 0.000 2.539 593 H HA 0.000 4.578 4.556 0.036 0.000 0.296 593 H CA 0.000 55.900 56.048 -0.247 0.000 1.023 593 H CB 0.000 29.695 29.762 -0.111 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496