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 2iu3_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 0.000 176.303 176.300 0.005 0.000 0.893 4 R CA 0.000 56.103 56.100 0.006 0.000 0.921 4 R CB 0.000 30.306 30.300 0.010 0.000 0.687 5 Q N 1.471 121.272 119.800 0.002 0.000 2.437 5 Q HA -0.173 4.167 4.340 -0.000 0.000 0.363 5 Q C -0.941 175.060 176.000 0.001 0.000 1.206 5 Q CA 1.146 56.948 55.803 -0.002 0.000 1.070 5 Q CB 0.636 29.372 28.738 -0.003 0.000 1.208 5 Q HN 0.554 nan 8.270 nan 0.000 0.423 6 Q N 2.131 121.927 119.800 -0.007 0.000 2.413 6 Q HA 0.465 4.805 4.340 -0.000 0.000 0.276 6 Q C -1.421 174.567 176.000 -0.019 0.000 1.099 6 Q CA -0.817 54.982 55.803 -0.007 0.000 0.814 6 Q CB 1.094 29.827 28.738 -0.008 0.000 1.379 6 Q HN 0.606 nan 8.270 nan 0.000 0.436 7 L N 0.992 122.203 121.223 -0.020 0.000 2.805 7 L HA 0.978 5.318 4.340 -0.000 0.000 0.242 7 L C -0.784 176.060 176.870 -0.044 0.000 1.180 7 L CA -0.664 54.156 54.840 -0.033 0.000 1.001 7 L CB 1.004 43.044 42.059 -0.031 0.000 1.864 7 L HN 0.733 nan 8.230 nan 0.000 0.551 8 A N -0.133 122.657 122.820 -0.051 0.000 2.560 8 A HA 0.614 4.934 4.320 -0.000 0.000 0.300 8 A C -1.678 175.875 177.584 -0.052 0.000 1.062 8 A CA -0.418 51.585 52.037 -0.055 0.000 0.767 8 A CB 0.484 19.434 19.000 -0.084 0.000 1.288 8 A HN 0.466 nan 8.150 nan 0.000 0.396 9 L N 2.183 123.381 121.223 -0.042 0.000 2.334 9 L HA 0.721 5.061 4.340 -0.000 0.000 0.275 9 L C -0.690 176.167 176.870 -0.022 0.000 1.036 9 L CA -0.708 54.108 54.840 -0.041 0.000 0.807 9 L CB 1.571 43.598 42.059 -0.054 0.000 1.231 9 L HN 0.680 nan 8.230 nan 0.000 0.438 10 L N 2.000 123.209 121.223 -0.023 0.000 2.401 10 L HA 0.563 4.903 4.340 -0.000 0.000 0.266 10 L C -0.320 176.547 176.870 -0.005 0.000 0.991 10 L CA -0.364 54.472 54.840 -0.007 0.000 0.818 10 L CB 2.017 44.068 42.059 -0.013 0.000 1.321 10 L HN 0.538 nan 8.230 nan 0.000 0.413 11 S N 1.277 116.984 115.700 0.011 0.000 3.673 11 S HA 0.074 4.544 4.470 -0.000 0.000 0.107 11 S C -0.689 173.929 174.600 0.030 0.000 0.858 11 S CA -0.575 57.633 58.200 0.013 0.000 0.821 11 S CB 0.581 63.782 63.200 0.000 0.000 1.261 11 S HN 0.475 nan 8.310 nan 0.000 0.685 12 V N 0.348 120.289 119.914 0.046 0.000 2.644 12 V HA 0.783 4.903 4.120 -0.000 0.000 0.295 12 V C 1.043 177.176 176.094 0.064 0.000 1.053 12 V CA 0.128 62.469 62.300 0.069 0.000 0.987 12 V CB 1.897 33.784 31.823 0.108 0.000 1.006 12 V HN 0.448 nan 8.190 nan 0.000 0.472 13 S N 1.568 117.317 115.700 0.080 0.000 2.575 13 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 13 S C 0.601 175.254 174.600 0.089 0.000 0.966 13 S CA 0.367 58.618 58.200 0.086 0.000 0.911 13 S CB -0.386 62.899 63.200 0.143 0.000 0.780 13 S HN 0.926 nan 8.310 nan 0.000 0.514 14 E N 0.760 121.015 120.200 0.091 0.000 2.346 14 E HA 0.408 4.758 4.350 -0.000 0.000 0.239 14 E C 0.242 176.903 176.600 0.101 0.000 0.943 14 E CA -0.246 56.207 56.400 0.088 0.000 0.751 14 E CB 0.709 30.453 29.700 0.074 0.000 1.241 14 E HN -0.083 nan 8.360 nan 0.000 0.423 15 K N 1.564 122.008 120.400 0.074 0.000 2.360 15 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 15 K C 0.437 177.094 176.600 0.094 0.000 1.046 15 K CA 0.740 57.069 56.287 0.070 0.000 0.940 15 K CB -0.342 32.182 32.500 0.039 0.000 0.748 15 K HN 0.489 nan 8.250 nan 0.000 0.465 16 A N 0.372 123.250 122.820 0.097 0.000 2.598 16 A HA 0.298 4.618 4.320 -0.000 0.000 0.239 16 A C 1.635 179.341 177.584 0.203 0.000 1.032 16 A CA 0.884 52.983 52.037 0.104 0.000 0.760 16 A CB -0.818 18.221 19.000 0.065 0.000 0.946 16 A HN 0.573 nan 8.150 nan 0.000 0.512 17 G N 1.334 110.231 108.800 0.162 0.000 2.300 17 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.267 17 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.267 17 G C 0.944 175.910 174.900 0.110 0.000 0.980 17 G CA 1.280 46.506 45.100 0.211 0.000 0.635 17 G HN 1.803 nan 8.290 nan 0.000 0.552 18 L N 1.149 122.422 121.223 0.084 0.000 2.021 18 L HA -0.126 4.214 4.340 -0.000 0.000 0.244 18 L C 2.760 179.572 176.870 -0.097 0.000 1.094 18 L CA 2.890 57.663 54.840 -0.111 0.000 0.842 18 L CB -1.368 40.691 42.059 -0.001 0.000 0.921 18 L HN 0.709 nan 8.230 nan 0.000 0.435 19 V N -0.100 119.794 119.914 -0.032 0.000 2.408 19 V HA -0.507 3.613 4.120 -0.000 0.000 0.232 19 V C 2.624 178.708 176.094 -0.016 0.000 1.032 19 V CA 3.234 65.522 62.300 -0.019 0.000 1.099 19 V CB -1.386 30.437 31.823 -0.001 0.000 0.912 19 V HN 0.915 nan 8.190 nan 0.000 0.483 20 E N -0.165 120.038 120.200 0.005 0.000 2.095 20 E HA -0.319 4.031 4.350 -0.000 0.000 0.212 20 E C 1.840 178.480 176.600 0.068 0.000 1.044 20 E CA 2.672 59.093 56.400 0.034 0.000 0.857 20 E CB -0.728 29.005 29.700 0.056 0.000 0.764 20 E HN 0.521 nan 8.360 nan 0.000 0.462 21 F N 0.835 120.661 119.950 -0.208 0.000 2.091 21 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 21 F C 2.438 178.135 175.800 -0.171 0.000 1.103 21 F CA 1.465 59.319 58.000 -0.243 0.000 1.228 21 F CB -1.293 37.389 39.000 -0.529 0.000 0.984 21 F HN 0.208 nan 8.300 nan 0.000 0.477 22 A N 0.001 122.778 122.820 -0.073 0.000 1.903 22 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 22 A C 2.414 179.929 177.584 -0.115 0.000 1.191 22 A CA 2.225 54.193 52.037 -0.114 0.000 0.638 22 A CB -0.937 18.021 19.000 -0.069 0.000 0.823 22 A HN 0.431 nan 8.150 nan 0.000 0.451 23 R N -0.061 120.397 120.500 -0.070 0.000 2.082 23 R HA -0.151 4.189 4.340 -0.000 0.000 0.228 23 R C 2.586 178.838 176.300 -0.080 0.000 1.140 23 R CA 2.285 58.352 56.100 -0.056 0.000 0.920 23 R CB -0.565 29.721 30.300 -0.023 0.000 0.828 23 R HN 0.592 nan 8.270 nan 0.000 0.430 24 S N 0.159 115.818 115.700 -0.067 0.000 2.428 24 S HA -0.181 4.288 4.470 -0.000 0.000 0.240 24 S C 1.899 176.387 174.600 -0.187 0.000 1.036 24 S CA 1.452 59.603 58.200 -0.082 0.000 1.009 24 S CB -0.338 62.861 63.200 -0.001 0.000 0.803 24 S HN 0.410 nan 8.310 nan 0.000 0.486 25 L N 1.348 122.400 121.223 -0.285 0.000 2.121 25 L HA 0.080 4.420 4.340 -0.000 0.000 0.200 25 L C 2.784 179.547 176.870 -0.178 0.000 1.077 25 L CA 1.312 55.966 54.840 -0.310 0.000 0.766 25 L CB -0.799 40.996 42.059 -0.440 0.000 0.931 25 L HN 0.493 nan 8.230 nan 0.000 0.452 26 N N 0.815 119.428 118.700 -0.144 0.000 2.513 26 N HA -0.162 4.578 4.740 -0.000 0.000 0.187 26 N C 1.449 176.914 175.510 -0.075 0.000 1.056 26 N CA 0.825 53.818 53.050 -0.095 0.000 0.907 26 N CB 0.272 38.713 38.487 -0.077 0.000 0.954 26 N HN 0.296 nan 8.380 nan 0.000 0.445 27 A N 0.068 122.838 122.820 -0.083 0.000 2.209 27 A HA 0.023 4.343 4.320 -0.000 0.000 0.212 27 A C 1.318 178.869 177.584 -0.056 0.000 1.158 27 A CA 0.544 52.546 52.037 -0.060 0.000 0.742 27 A CB 0.069 19.035 19.000 -0.056 0.000 0.790 27 A HN 0.273 nan 8.150 nan 0.000 0.472 28 L N -1.669 119.512 121.223 -0.070 0.000 3.014 28 L HA 0.355 4.695 4.340 -0.000 0.000 0.263 28 L C 1.521 178.359 176.870 -0.053 0.000 1.207 28 L CA 0.868 55.672 54.840 -0.059 0.000 1.017 28 L CB 0.194 42.209 42.059 -0.073 0.000 1.360 28 L HN 0.440 nan 8.230 nan 0.000 0.560 29 G N 0.029 108.797 108.800 -0.052 0.000 2.186 29 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.266 29 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.266 29 G C 0.373 175.245 174.900 -0.047 0.000 0.982 29 G CA 0.523 45.597 45.100 -0.044 0.000 0.670 29 G HN 0.294 nan 8.290 nan 0.000 0.533 30 L N 0.637 121.823 121.223 -0.062 0.000 2.483 30 L HA 0.502 4.842 4.340 -0.000 0.000 0.276 30 L C 1.496 178.332 176.870 -0.057 0.000 1.213 30 L CA 0.568 55.372 54.840 -0.060 0.000 0.843 30 L CB 0.395 42.405 42.059 -0.081 0.000 1.107 30 L HN 0.180 nan 8.230 nan 0.000 0.487 31 G N 3.629 112.402 108.800 -0.045 0.000 2.372 31 G HA2 0.431 4.391 3.960 -0.000 0.000 0.286 31 G HA3 0.431 4.391 3.960 -0.000 0.000 0.286 31 G C -0.168 174.704 174.900 -0.047 0.000 1.153 31 G CA -0.639 44.437 45.100 -0.039 0.000 0.985 31 G HN 0.486 nan 8.290 nan 0.000 0.429 32 L N 3.955 125.148 121.223 -0.049 0.000 2.369 32 L HA 0.316 4.656 4.340 -0.000 0.000 0.279 32 L C -0.122 176.722 176.870 -0.043 0.000 1.108 32 L CA -0.586 54.223 54.840 -0.052 0.000 0.852 32 L CB 0.465 42.492 42.059 -0.054 0.000 1.169 32 L HN 0.235 nan 8.230 nan 0.000 0.452 33 I N 3.108 123.651 120.570 -0.045 0.000 2.362 33 I HA 0.759 4.929 4.170 -0.000 0.000 0.289 33 I C 0.296 176.388 176.117 -0.041 0.000 0.994 33 I CA -0.183 61.090 61.300 -0.045 0.000 1.158 33 I CB 1.152 39.120 38.000 -0.055 0.000 1.315 33 I HN 0.765 nan 8.210 nan 0.000 0.451 34 A N 4.220 127.019 122.820 -0.035 0.000 2.535 34 A HA 0.885 5.205 4.320 -0.000 0.000 0.296 34 A C 0.080 177.649 177.584 -0.025 0.000 1.248 34 A CA 0.285 52.305 52.037 -0.029 0.000 0.686 34 A CB 2.059 21.045 19.000 -0.023 0.000 1.315 34 A HN 0.613 nan 8.150 nan 0.000 0.460 35 S N -2.053 113.636 115.700 -0.018 0.000 5.830 35 S HA 0.412 4.882 4.470 -0.000 0.000 0.119 35 S C 1.254 175.849 174.600 -0.008 0.000 1.116 35 S CA 1.503 59.696 58.200 -0.013 0.000 1.371 35 S CB -0.810 62.382 63.200 -0.013 0.000 2.079 35 S HN 2.204 nan 8.310 nan 0.000 0.649 36 G N 0.611 109.407 108.800 -0.005 0.000 2.492 36 G HA2 0.269 4.229 3.960 -0.000 0.000 0.353 36 G HA3 0.269 4.229 3.960 -0.000 0.000 0.353 36 G C 1.205 176.102 174.900 -0.005 0.000 1.297 36 G CA 0.209 45.307 45.100 -0.004 0.000 1.192 36 G HN 1.162 nan 8.290 nan 0.000 0.677 37 G N -1.377 107.419 108.800 -0.006 0.000 2.537 37 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 37 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 37 G C 1.777 176.675 174.900 -0.004 0.000 1.111 37 G CA 2.144 47.240 45.100 -0.007 0.000 0.748 37 G HN 0.924 nan 8.290 nan 0.000 0.564 38 T N -0.509 114.044 114.554 -0.002 0.000 2.737 38 T HA 0.121 4.471 4.350 -0.000 0.000 0.265 38 T C 2.636 177.332 174.700 -0.007 0.000 1.038 38 T CA 1.579 63.679 62.100 -0.001 0.000 1.144 38 T CB -0.462 68.407 68.868 0.002 0.000 0.866 38 T HN 0.311 nan 8.240 nan 0.000 0.434 39 A N 1.780 124.595 122.820 -0.009 0.000 1.858 39 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 39 A C 2.547 180.125 177.584 -0.010 0.000 1.190 39 A CA 2.169 54.199 52.037 -0.012 0.000 0.617 39 A CB -1.682 17.311 19.000 -0.012 0.000 0.827 39 A HN 0.504 nan 8.150 nan 0.000 0.443 40 T N 0.644 115.193 114.554 -0.008 0.000 2.294 40 T HA -0.259 4.091 4.350 -0.000 0.000 0.221 40 T C 1.695 176.391 174.700 -0.007 0.000 1.526 40 T CA 2.444 64.539 62.100 -0.007 0.000 1.180 40 T CB -0.805 68.059 68.868 -0.007 0.000 0.859 40 T HN 0.799 nan 8.240 nan 0.000 0.400 41 A N 0.486 123.303 122.820 -0.006 0.000 2.150 41 A HA 0.319 4.639 4.320 -0.000 0.000 0.220 41 A C 1.647 179.227 177.584 -0.007 0.000 1.356 41 A CA 0.537 52.571 52.037 -0.005 0.000 1.145 41 A CB -0.804 18.195 19.000 -0.001 0.000 0.826 41 A HN 0.581 nan 8.150 nan 0.000 0.524 42 L N -2.497 118.720 121.223 -0.010 0.000 2.678 42 L HA 0.057 4.397 4.340 -0.000 0.000 0.211 42 L C 2.392 179.253 176.870 -0.015 0.000 1.043 42 L CA 0.238 55.070 54.840 -0.014 0.000 0.881 42 L CB -0.149 41.900 42.059 -0.018 0.000 1.361 42 L HN 0.388 nan 8.230 nan 0.000 0.484 43 R N 0.923 121.415 120.500 -0.014 0.000 2.092 43 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 43 R C 1.124 177.418 176.300 -0.011 0.000 1.119 43 R CA 1.541 57.633 56.100 -0.013 0.000 0.970 43 R CB -0.900 29.392 30.300 -0.012 0.000 0.864 43 R HN 0.475 nan 8.270 nan 0.000 0.440 44 D N 0.093 120.488 120.400 -0.009 0.000 2.358 44 D HA 0.142 4.782 4.640 -0.000 0.000 0.224 44 D C 0.594 176.890 176.300 -0.007 0.000 1.123 44 D CA 0.411 54.407 54.000 -0.007 0.000 0.833 44 D CB 0.489 41.286 40.800 -0.006 0.000 0.946 44 D HN 0.351 nan 8.370 nan 0.000 0.505 45 A N 0.449 123.264 122.820 -0.008 0.000 2.343 45 A HA 0.514 4.834 4.320 -0.000 0.000 0.223 45 A C 1.611 179.190 177.584 -0.009 0.000 1.214 45 A CA 0.358 52.391 52.037 -0.007 0.000 0.900 45 A CB 0.073 19.067 19.000 -0.009 0.000 0.942 45 A HN 0.381 nan 8.150 nan 0.000 0.507 46 G N -0.389 108.405 108.800 -0.010 0.000 2.248 46 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.252 46 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.252 46 G C -0.306 174.585 174.900 -0.015 0.000 1.085 46 G CA 0.275 45.368 45.100 -0.011 0.000 0.845 46 G HN 0.467 nan 8.290 nan 0.000 0.494 47 L N 0.284 121.496 121.223 -0.017 0.000 2.354 47 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 47 L C -1.870 174.986 176.870 -0.023 0.000 1.005 47 L CA -2.523 52.303 54.840 -0.023 0.000 0.819 47 L CB 2.643 44.685 42.059 -0.028 0.000 1.311 47 L HN -0.031 nan 8.230 nan 0.000 0.423 48 P HA 0.045 nan 4.420 nan 0.000 0.260 48 P C -0.732 176.551 177.300 -0.027 0.000 1.651 48 P CA 0.108 63.194 63.100 -0.024 0.000 1.139 48 P CB 0.901 32.587 31.700 -0.024 0.000 1.756 49 V N 5.297 125.196 119.914 -0.024 0.000 2.357 49 V HA 0.367 4.487 4.120 -0.000 0.000 0.284 49 V C 0.054 176.135 176.094 -0.023 0.000 1.018 49 V CA -0.908 61.377 62.300 -0.026 0.000 0.841 49 V CB 1.193 33.001 31.823 -0.025 0.000 0.991 49 V HN 0.323 nan 8.190 nan 0.000 0.437 50 R N 4.356 124.841 120.500 -0.025 0.000 2.428 50 R HA 0.362 4.702 4.340 -0.000 0.000 0.294 50 R C -0.446 175.838 176.300 -0.027 0.000 1.000 50 R CA -0.662 55.424 56.100 -0.023 0.000 0.960 50 R CB 1.333 31.620 30.300 -0.022 0.000 1.076 50 R HN 0.777 nan 8.270 nan 0.000 0.475 51 D N 1.399 121.785 120.400 -0.024 0.000 2.304 51 D HA 0.007 4.647 4.640 -0.000 0.000 0.247 51 D C 1.251 177.529 176.300 -0.036 0.000 1.089 51 D CA -0.131 53.853 54.000 -0.026 0.000 0.910 51 D CB 1.714 42.503 40.800 -0.019 0.000 1.199 51 D HN 0.127 nan 8.370 nan 0.000 0.426 52 V N 3.059 122.946 119.914 -0.044 0.000 2.282 52 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 52 V C 2.456 178.507 176.094 -0.071 0.000 1.057 52 V CA 2.062 64.322 62.300 -0.067 0.000 1.032 52 V CB -0.773 31.009 31.823 -0.069 0.000 0.645 52 V HN 0.568 nan 8.190 nan 0.000 0.447 53 S N 0.754 116.428 115.700 -0.044 0.000 2.369 53 S HA -0.370 4.100 4.470 -0.000 0.000 0.225 53 S C 1.829 176.411 174.600 -0.030 0.000 1.043 53 S CA 2.066 60.249 58.200 -0.029 0.000 1.074 53 S CB -0.861 62.335 63.200 -0.006 0.000 0.962 53 S HN 0.897 nan 8.310 nan 0.000 0.433 54 D N 1.080 121.467 120.400 -0.023 0.000 2.244 54 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 54 D C 1.692 177.985 176.300 -0.011 0.000 1.006 54 D CA 1.314 55.306 54.000 -0.014 0.000 0.888 54 D CB -0.281 40.511 40.800 -0.013 0.000 0.912 54 D HN 0.457 nan 8.370 nan 0.000 0.452 55 L N -0.270 120.935 121.223 -0.030 0.000 2.056 55 L HA -0.037 4.303 4.340 -0.000 0.000 0.202 55 L C 2.414 179.264 176.870 -0.035 0.000 1.086 55 L CA 1.649 56.474 54.840 -0.025 0.000 0.758 55 L CB -0.928 41.095 42.059 -0.061 0.000 0.912 55 L HN 0.319 nan 8.230 nan 0.000 0.446 56 T N -2.245 112.214 114.554 -0.159 0.000 3.155 56 T HA -0.012 4.338 4.350 -0.000 0.000 0.264 56 T C 1.348 176.013 174.700 -0.059 0.000 1.160 56 T CA 0.431 62.336 62.100 -0.324 0.000 1.075 56 T CB -0.987 67.376 68.868 -0.842 0.000 0.921 56 T HN 0.634 nan 8.240 nan 0.000 0.533 57 G N 1.140 109.936 108.800 -0.007 0.000 2.451 57 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.296 57 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.296 57 G C -0.230 174.687 174.900 0.028 0.000 0.922 57 G CA 0.292 45.403 45.100 0.018 0.000 1.074 57 G HN 0.646 nan 8.290 nan 0.000 0.509 58 F N 0.735 120.646 119.950 -0.065 0.000 2.450 58 F HA 0.565 5.092 4.527 -0.000 0.000 0.332 58 F C -1.530 174.265 175.800 -0.010 0.000 1.093 58 F CA -2.540 55.450 58.000 -0.018 0.000 1.003 58 F CB 1.899 40.893 39.000 -0.011 0.000 1.151 58 F HN -0.006 nan 8.300 nan 0.000 0.474 59 P HA 0.022 nan 4.420 nan 0.000 0.266 59 P C -0.919 176.480 177.300 0.166 0.000 1.419 59 P CA 0.001 63.095 63.100 -0.011 0.000 1.112 59 P CB -0.107 31.509 31.700 -0.140 0.000 1.438 60 E N 3.550 123.829 120.200 0.131 0.000 2.565 60 E HA -0.054 4.296 4.350 -0.000 0.000 0.268 60 E C 1.059 177.719 176.600 0.100 0.000 1.000 60 E CA 0.585 57.053 56.400 0.114 0.000 0.964 60 E CB 0.142 29.880 29.700 0.062 0.000 0.955 60 E HN 0.527 nan 8.360 nan 0.000 0.459 61 M N -0.445 119.212 119.600 0.096 0.000 1.596 61 M HA 0.153 4.633 4.480 -0.000 0.000 0.175 61 M C -0.219 176.118 176.300 0.063 0.000 1.277 61 M CA -0.322 55.026 55.300 0.080 0.000 0.790 61 M CB 0.315 32.979 32.600 0.106 0.000 1.619 61 M HN 0.213 nan 8.290 nan 0.000 0.610 62 L N 3.568 124.830 121.223 0.065 0.000 2.455 62 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 62 L C 0.713 177.610 176.870 0.045 0.000 1.174 62 L CA -0.197 54.674 54.840 0.052 0.000 0.869 62 L CB 0.716 42.805 42.059 0.050 0.000 1.130 62 L HN 0.456 nan 8.230 nan 0.000 0.474 63 G N 1.278 110.102 108.800 0.040 0.000 2.442 63 G HA2 0.373 4.333 3.960 -0.000 0.000 0.249 63 G HA3 0.373 4.333 3.960 -0.000 0.000 0.249 63 G C 0.984 175.908 174.900 0.039 0.000 1.263 63 G CA 0.247 45.369 45.100 0.036 0.000 0.846 63 G HN 1.037 nan 8.290 nan 0.000 0.555 64 G N 1.028 109.850 108.800 0.037 0.000 2.228 64 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.270 64 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.270 64 G C 0.704 175.632 174.900 0.046 0.000 0.976 64 G CA 1.357 46.482 45.100 0.042 0.000 0.636 64 G HN 0.945 nan 8.290 nan 0.000 0.542 65 R N -2.241 118.285 120.500 0.043 0.000 3.145 65 R HA 0.676 5.016 4.340 -0.000 0.000 0.253 65 R C 0.155 176.477 176.300 0.037 0.000 1.289 65 R CA -0.571 55.554 56.100 0.043 0.000 1.030 65 R CB 0.422 30.750 30.300 0.047 0.000 1.387 65 R HN 0.735 nan 8.270 nan 0.000 0.466 66 V N 1.719 121.653 119.914 0.033 0.000 3.897 66 V HA -0.325 3.795 4.120 -0.000 0.000 0.541 66 V C 0.309 176.414 176.094 0.019 0.000 0.700 66 V CA 1.838 64.151 62.300 0.023 0.000 2.094 66 V CB -0.862 30.969 31.823 0.013 0.000 2.475 66 V HN 1.069 nan 8.190 nan 0.000 0.521 67 K N 1.886 122.290 120.400 0.007 0.000 2.432 67 K HA -0.029 4.291 4.320 -0.000 0.000 0.143 67 K C 1.364 177.943 176.600 -0.034 0.000 2.184 67 K CA 0.348 56.631 56.287 -0.007 0.000 1.300 67 K CB -0.101 32.399 32.500 -0.000 0.000 2.435 67 K HN 0.764 nan 8.250 nan 0.000 0.512 68 T N 0.735 115.274 114.554 -0.025 0.000 3.054 68 T HA 0.247 4.597 4.350 -0.000 0.000 0.259 68 T C 1.092 175.788 174.700 -0.007 0.000 1.092 68 T CA -0.108 61.948 62.100 -0.073 0.000 1.121 68 T CB -0.229 68.590 68.868 -0.082 0.000 0.912 68 T HN 0.142 nan 8.240 nan 0.000 0.489 69 L N 2.471 123.752 121.223 0.096 0.000 2.697 69 L HA 0.314 4.654 4.340 -0.000 0.000 0.239 69 L C 0.122 177.071 176.870 0.131 0.000 1.430 69 L CA -0.061 54.881 54.840 0.170 0.000 1.193 69 L CB -1.180 40.922 42.059 0.071 0.000 1.516 69 L HN 0.543 nan 8.230 nan 0.000 0.439 70 H N -0.278 118.802 119.070 0.018 0.000 3.029 70 H HA 0.225 4.781 4.556 -0.000 0.000 0.358 70 H C -2.106 173.167 175.328 -0.093 0.000 1.129 70 H CA -1.355 54.643 56.048 -0.083 0.000 1.230 70 H CB 2.367 32.022 29.762 -0.178 0.000 1.827 70 H HN -0.171 nan 8.280 nan 0.000 0.530 71 P HA -0.394 nan 4.420 nan 0.000 0.222 71 P C 1.343 178.453 177.300 -0.316 0.000 1.147 71 P CA 2.907 65.878 63.100 -0.216 0.000 0.958 71 P CB -0.383 31.165 31.700 -0.253 0.000 0.788 72 A N -0.699 121.787 122.820 -0.557 0.000 1.954 72 A HA -0.243 4.077 4.320 -0.000 0.000 0.222 72 A C 2.493 179.780 177.584 -0.495 0.000 1.199 72 A CA 2.872 54.207 52.037 -1.169 0.000 0.657 72 A CB -1.728 16.856 19.000 -0.694 0.000 0.823 72 A HN 0.173 nan 8.150 nan 0.000 0.463 73 V N -0.880 118.883 119.914 -0.252 0.000 2.239 73 V HA -0.177 3.943 4.120 -0.000 0.000 0.236 73 V C 2.307 178.250 176.094 -0.252 0.000 1.040 73 V CA 1.767 63.904 62.300 -0.273 0.000 0.996 73 V CB -1.089 30.517 31.823 -0.362 0.000 0.640 73 V HN 0.689 nan 8.190 nan 0.000 0.456 74 H N 0.204 119.234 119.070 -0.067 0.000 2.489 74 H HA -0.088 4.468 4.556 -0.000 0.000 0.295 74 H C 2.213 177.522 175.328 -0.033 0.000 1.082 74 H CA 1.449 57.471 56.048 -0.042 0.000 1.295 74 H CB -0.425 29.317 29.762 -0.034 0.000 1.380 74 H HN 0.478 nan 8.280 nan 0.000 0.548 75 A N 0.882 123.716 122.820 0.023 0.000 1.845 75 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 75 A C 2.906 180.522 177.584 0.053 0.000 1.195 75 A CA 1.675 53.741 52.037 0.049 0.000 0.616 75 A CB -1.242 17.775 19.000 0.029 0.000 0.832 75 A HN 0.447 nan 8.150 nan 0.000 0.443 76 G N -0.109 108.695 108.800 0.006 0.000 2.442 76 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 76 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 76 G C 1.501 176.413 174.900 0.021 0.000 1.141 76 G CA 1.223 46.336 45.100 0.022 0.000 0.763 76 G HN 0.504 nan 8.290 nan 0.000 0.554 77 I N 0.124 120.701 120.570 0.010 0.000 2.094 77 I HA -0.093 4.077 4.170 -0.000 0.000 0.234 77 I C 2.534 178.686 176.117 0.058 0.000 1.063 77 I CA 0.829 62.147 61.300 0.030 0.000 1.328 77 I CB -0.424 37.599 38.000 0.039 0.000 1.058 77 I HN 0.026 nan 8.210 nan 0.000 0.400 78 L N 1.003 122.275 121.223 0.082 0.000 2.633 78 L HA 0.000 4.340 4.340 -0.000 0.000 0.235 78 L C 1.131 178.040 176.870 0.065 0.000 1.163 78 L CA -0.390 54.498 54.840 0.080 0.000 0.859 78 L CB -0.388 41.723 42.059 0.087 0.000 0.973 78 L HN 0.234 nan 8.230 nan 0.000 0.451 79 A N 0.719 123.576 122.820 0.062 0.000 2.404 79 A HA 0.355 4.675 4.320 -0.000 0.000 0.273 79 A C 0.177 177.787 177.584 0.043 0.000 1.144 79 A CA -0.229 51.843 52.037 0.058 0.000 0.806 79 A CB 0.131 19.172 19.000 0.068 0.000 1.080 79 A HN 0.268 nan 8.150 nan 0.000 0.509 80 R N 1.697 122.219 120.500 0.037 0.000 2.500 80 R HA 0.179 4.519 4.340 -0.000 0.000 0.275 80 R C 0.430 176.744 176.300 0.023 0.000 1.051 80 R CA -0.397 55.718 56.100 0.025 0.000 1.088 80 R CB 0.806 31.118 30.300 0.019 0.000 1.063 80 R HN 0.880 nan 8.270 nan 0.000 0.511 81 N N 4.447 123.156 118.700 0.016 0.000 2.968 81 N HA 0.117 4.857 4.740 -0.000 0.000 0.271 81 N C -0.974 174.543 175.510 0.011 0.000 1.174 81 N CA -0.087 52.972 53.050 0.015 0.000 1.096 81 N CB 0.072 38.566 38.487 0.011 0.000 1.403 81 N HN 0.450 nan 8.380 nan 0.000 0.522 82 I N -0.448 120.130 120.570 0.013 0.000 2.752 82 I HA 0.452 4.622 4.170 -0.000 0.000 0.295 82 I C -2.445 173.679 176.117 0.012 0.000 1.219 82 I CA -2.192 59.115 61.300 0.010 0.000 1.030 82 I CB 2.202 40.208 38.000 0.009 0.000 1.259 82 I HN 0.018 nan 8.210 nan 0.000 0.423 83 P HA -0.348 nan 4.420 nan 0.000 0.224 83 P C 1.002 178.307 177.300 0.010 0.000 0.837 83 P CA 2.581 65.686 63.100 0.008 0.000 1.060 83 P CB 0.074 31.778 31.700 0.006 0.000 0.717 84 E N -0.853 119.353 120.200 0.010 0.000 2.026 84 E HA -0.230 4.120 4.350 -0.000 0.000 0.206 84 E C 1.834 178.444 176.600 0.017 0.000 1.028 84 E CA 2.068 58.475 56.400 0.012 0.000 0.845 84 E CB -1.321 28.386 29.700 0.012 0.000 0.772 84 E HN 0.352 nan 8.360 nan 0.000 0.462 85 D N 0.091 120.504 120.400 0.022 0.000 2.133 85 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 85 D C 1.623 177.943 176.300 0.033 0.000 1.001 85 D CA 1.163 55.182 54.000 0.032 0.000 0.844 85 D CB -0.437 40.383 40.800 0.033 0.000 0.944 85 D HN 0.136 nan 8.370 nan 0.000 0.447 86 N N 0.275 118.990 118.700 0.024 0.000 2.104 86 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 86 N C 1.697 177.217 175.510 0.017 0.000 1.024 86 N CA 1.464 54.527 53.050 0.022 0.000 0.853 86 N CB -0.353 38.143 38.487 0.015 0.000 1.008 86 N HN 0.198 nan 8.380 nan 0.000 0.424 87 A N 1.260 124.086 122.820 0.011 0.000 1.897 87 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 87 A C 1.851 179.433 177.584 -0.003 0.000 1.181 87 A CA 1.178 53.216 52.037 0.002 0.000 0.620 87 A CB -0.295 18.705 19.000 0.000 0.000 0.821 87 A HN 0.112 nan 8.150 nan 0.000 0.443 88 D N -0.250 120.154 120.400 0.008 0.000 2.123 88 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 88 D C 1.932 178.232 176.300 -0.001 0.000 0.992 88 D CA 1.381 55.386 54.000 0.007 0.000 0.833 88 D CB -0.218 40.600 40.800 0.030 0.000 0.954 88 D HN 0.261 nan 8.370 nan 0.000 0.455 89 M N 0.685 120.302 119.600 0.028 0.000 2.117 89 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 89 M C 1.779 178.069 176.300 -0.017 0.000 1.065 89 M CA 1.008 56.337 55.300 0.048 0.000 1.114 89 M CB -1.391 31.257 32.600 0.080 0.000 1.361 89 M HN 0.055 nan 8.290 nan 0.000 0.408 90 N N 0.394 119.084 118.700 -0.017 0.000 2.005 90 N HA -0.234 4.506 4.740 -0.000 0.000 0.199 90 N C 1.755 177.221 175.510 -0.073 0.000 1.054 90 N CA 1.780 54.811 53.050 -0.031 0.000 0.864 90 N CB -0.226 38.248 38.487 -0.021 0.000 1.063 90 N HN 0.312 nan 8.380 nan 0.000 0.428 91 K N 0.641 120.995 120.400 -0.077 0.000 2.032 91 K HA -0.255 4.065 4.320 -0.000 0.000 0.218 91 K C 1.864 178.348 176.600 -0.192 0.000 1.054 91 K CA 1.619 57.844 56.287 -0.102 0.000 0.941 91 K CB 0.029 32.483 32.500 -0.078 0.000 0.720 91 K HN 0.157 nan 8.250 nan 0.000 0.449 92 Q N 0.306 119.924 119.800 -0.302 0.000 2.364 92 Q HA -0.131 4.209 4.340 -0.000 0.000 0.207 92 Q C 0.174 175.721 176.000 -0.755 0.000 0.970 92 Q CA 1.334 56.730 55.803 -0.678 0.000 0.888 92 Q CB -0.419 27.714 28.738 -1.009 0.000 0.951 92 Q HN 0.541 nan 8.270 nan 0.000 0.469 93 D N -1.743 118.443 120.400 -0.357 0.000 2.835 93 D HA -0.185 4.455 4.640 -0.000 0.000 0.230 93 D C -1.462 174.821 176.300 -0.028 0.000 1.130 93 D CA 0.163 54.068 54.000 -0.158 0.000 0.738 93 D CB -1.178 39.549 40.800 -0.122 0.000 1.090 93 D HN 0.014 nan 8.370 nan 0.000 0.433 94 F N 0.918 120.888 119.950 0.033 0.000 2.410 94 F HA 0.501 5.028 4.527 -0.000 0.000 0.349 94 F C 1.410 177.224 175.800 0.023 0.000 1.117 94 F CA -0.971 57.051 58.000 0.036 0.000 1.104 94 F CB 1.489 40.519 39.000 0.050 0.000 1.122 94 F HN -0.183 nan 8.300 nan 0.000 0.483 95 S N 3.011 118.839 115.700 0.214 0.000 2.633 95 S HA 0.534 5.004 4.470 -0.000 0.000 0.257 95 S C -0.108 174.544 174.600 0.085 0.000 1.265 95 S CA -0.578 57.688 58.200 0.110 0.000 0.980 95 S CB 0.521 63.761 63.200 0.067 0.000 1.017 95 S HN 0.372 nan 8.310 nan 0.000 0.577 96 L N 1.286 122.538 121.223 0.049 0.000 2.334 96 L HA 0.513 4.853 4.340 -0.000 0.000 0.276 96 L C -0.939 175.937 176.870 0.010 0.000 1.014 96 L CA -0.890 53.970 54.840 0.033 0.000 0.815 96 L CB 1.589 43.667 42.059 0.031 0.000 1.268 96 L HN 0.282 nan 8.230 nan 0.000 0.428 97 V N 3.127 123.041 119.914 -0.000 0.000 2.432 97 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 97 V C 0.860 176.951 176.094 -0.005 0.000 1.043 97 V CA -0.382 61.910 62.300 -0.015 0.000 0.925 97 V CB 1.396 33.201 31.823 -0.030 0.000 0.985 97 V HN 0.805 nan 8.190 nan 0.000 0.466 98 R N 3.254 123.747 120.500 -0.011 0.000 2.307 98 R HA 0.353 4.693 4.340 -0.000 0.000 0.200 98 R C -0.467 175.832 176.300 -0.001 0.000 0.893 98 R CA 0.406 56.503 56.100 -0.005 0.000 1.042 98 R CB 0.821 31.113 30.300 -0.013 0.000 1.059 98 R HN 0.552 nan 8.270 nan 0.000 0.530 99 V N 1.127 121.035 119.914 -0.010 0.000 2.808 99 V HA 0.358 4.478 4.120 -0.000 0.000 0.308 99 V C -1.124 174.974 176.094 0.006 0.000 1.099 99 V CA -0.806 61.496 62.300 0.003 0.000 0.920 99 V CB 2.393 34.198 31.823 -0.030 0.000 1.014 99 V HN -0.209 nan 8.190 nan 0.000 0.425 100 V N 5.027 124.959 119.914 0.031 0.000 2.380 100 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 100 V C -0.386 175.743 176.094 0.057 0.000 1.015 100 V CA -0.552 61.761 62.300 0.022 0.000 0.834 100 V CB 1.931 33.756 31.823 0.004 0.000 1.009 100 V HN 0.604 nan 8.190 nan 0.000 0.428 101 V N 4.335 124.292 119.914 0.071 0.000 2.383 101 V HA 0.597 4.717 4.120 -0.000 0.000 0.275 101 V C -0.084 176.058 176.094 0.080 0.000 1.036 101 V CA -0.202 62.172 62.300 0.123 0.000 0.889 101 V CB 1.316 33.238 31.823 0.165 0.000 0.985 101 V HN 0.993 nan 8.190 nan 0.000 0.459 102 C N 6.750 126.093 119.300 0.072 0.000 3.181 102 C HA 0.610 5.070 4.460 -0.000 0.000 0.362 102 C C -0.934 174.070 174.990 0.024 0.000 1.125 102 C CA -0.653 58.392 59.018 0.045 0.000 1.265 102 C CB 1.086 28.837 27.740 0.019 0.000 1.632 102 C HN 1.099 nan 8.230 nan 0.000 0.525 103 N N 3.994 122.723 118.700 0.048 0.000 3.204 103 N HA 0.785 5.525 4.740 -0.000 0.000 0.285 103 N C -1.955 173.663 175.510 0.181 0.000 1.536 103 N CA -0.668 52.420 53.050 0.064 0.000 0.832 103 N CB 1.536 40.008 38.487 -0.024 0.000 1.645 103 N HN 0.651 nan 8.380 nan 0.000 0.586 104 L N -0.573 120.854 121.223 0.340 0.000 2.469 104 L HA 0.369 4.709 4.340 -0.000 0.000 0.256 104 L C -1.548 175.470 176.870 0.246 0.000 1.006 104 L CA -0.945 54.012 54.840 0.195 0.000 0.832 104 L CB 2.290 44.316 42.059 -0.055 0.000 1.421 104 L HN 0.595 nan 8.230 nan 0.000 0.410 105 Y N 3.290 123.657 120.300 0.112 0.000 2.600 105 Y HA 0.309 4.859 4.550 -0.000 0.000 0.351 105 Y C -2.042 173.968 175.900 0.184 0.000 1.042 105 Y CA -2.445 55.724 58.100 0.115 0.000 1.333 105 Y CB 0.295 38.802 38.460 0.078 0.000 1.172 105 Y HN 0.252 nan 8.280 nan 0.000 0.517 106 P HA -0.212 nan 4.420 nan 0.000 0.264 106 P C 0.541 177.813 177.300 -0.048 0.000 1.156 106 P CA 0.729 63.830 63.100 0.001 0.000 0.756 106 P CB 0.363 31.997 31.700 -0.109 0.000 0.764 107 F N 3.596 123.457 119.950 -0.148 0.000 2.250 107 F HA -0.221 4.306 4.527 -0.000 0.000 0.301 107 F C 2.025 177.676 175.800 -0.248 0.000 1.077 107 F CA 1.244 59.093 58.000 -0.251 0.000 1.348 107 F CB -0.513 38.230 39.000 -0.429 0.000 1.040 107 F HN 0.060 nan 8.300 nan 0.000 0.509 108 V N 0.270 120.113 119.914 -0.118 0.000 2.215 108 V HA -0.393 3.727 4.120 -0.000 0.000 0.249 108 V C 2.108 178.049 176.094 -0.255 0.000 1.054 108 V CA 2.431 64.633 62.300 -0.165 0.000 1.012 108 V CB -0.824 30.926 31.823 -0.122 0.000 0.639 108 V HN 0.215 nan 8.190 nan 0.000 0.448 109 K N -0.442 119.750 120.400 -0.346 0.000 2.574 109 K HA -0.043 4.277 4.320 -0.000 0.000 0.193 109 K C 1.804 178.227 176.600 -0.294 0.000 1.035 109 K CA 1.073 57.120 56.287 -0.400 0.000 0.982 109 K CB -0.180 31.872 32.500 -0.746 0.000 0.795 109 K HN 0.542 nan 8.250 nan 0.000 0.491 110 T N -0.060 114.298 114.554 -0.326 0.000 3.082 110 T HA -0.056 4.294 4.350 -0.000 0.000 0.235 110 T C 1.938 176.418 174.700 -0.367 0.000 0.991 110 T CA 0.911 62.858 62.100 -0.255 0.000 1.220 110 T CB 0.026 68.629 68.868 -0.443 0.000 0.909 110 T HN 0.150 nan 8.240 nan 0.000 0.424 111 V N 0.762 120.321 119.914 -0.592 0.000 2.626 111 V HA 0.057 4.177 4.120 -0.000 0.000 0.252 111 V C 0.953 176.855 176.094 -0.319 0.000 1.067 111 V CA 1.001 62.943 62.300 -0.595 0.000 1.081 111 V CB -0.821 30.494 31.823 -0.846 0.000 0.686 111 V HN 0.243 nan 8.190 nan 0.000 0.468 112 S N 1.934 117.488 115.700 -0.244 0.000 3.158 112 S HA 0.609 5.079 4.470 -0.000 0.000 0.215 112 S C 0.265 174.805 174.600 -0.100 0.000 1.359 112 S CA 0.193 58.307 58.200 -0.143 0.000 0.974 112 S CB 0.137 63.262 63.200 -0.125 0.000 1.336 112 S HN 0.993 nan 8.310 nan 0.000 0.488 113 S N 2.247 117.897 115.700 -0.083 0.000 2.971 113 S HA 0.690 5.160 4.470 -0.000 0.000 0.320 113 S C -2.027 172.552 174.600 -0.035 0.000 1.111 113 S CA -1.146 57.027 58.200 -0.045 0.000 0.870 113 S CB -0.436 62.738 63.200 -0.042 0.000 1.331 113 S HN 0.227 nan 8.310 nan 0.000 0.635 114 P HA 0.230 nan 4.420 nan 0.000 0.199 114 P C 0.761 178.049 177.300 -0.020 0.000 1.146 114 P CA 1.204 64.293 63.100 -0.018 0.000 0.905 114 P CB -0.534 31.158 31.700 -0.012 0.000 0.737 115 G N -0.575 108.214 108.800 -0.018 0.000 4.547 115 G HA2 0.291 4.251 3.960 -0.000 0.000 0.301 115 G HA3 0.291 4.251 3.960 -0.000 0.000 0.301 115 G C -0.477 174.413 174.900 -0.017 0.000 1.240 115 G CA -0.189 44.901 45.100 -0.015 0.000 0.970 115 G HN 0.348 nan 8.290 nan 0.000 0.574 116 V N 2.450 122.347 119.914 -0.029 0.000 2.617 116 V HA 0.406 4.526 4.120 -0.000 0.000 0.304 116 V C 0.870 176.957 176.094 -0.012 0.000 1.040 116 V CA 0.803 63.083 62.300 -0.033 0.000 1.149 116 V CB 0.650 32.429 31.823 -0.074 0.000 0.914 116 V HN 0.497 nan 8.190 nan 0.000 0.487 117 T N 3.756 118.312 114.554 0.003 0.000 2.934 117 T HA 0.428 4.778 4.350 -0.000 0.000 0.283 117 T C 1.092 175.821 174.700 0.049 0.000 1.005 117 T CA -0.103 62.009 62.100 0.020 0.000 1.041 117 T CB 1.611 70.487 68.868 0.014 0.000 1.042 117 T HN 0.508 nan 8.240 nan 0.000 0.505 118 V N 2.730 122.682 119.914 0.063 0.000 2.220 118 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 118 V C -0.013 176.139 176.094 0.097 0.000 1.056 118 V CA 2.156 64.514 62.300 0.098 0.000 1.016 118 V CB -1.955 29.819 31.823 -0.081 0.000 0.639 118 V HN 0.859 nan 8.190 nan 0.000 0.446 119 P HA -0.278 nan 4.420 nan 0.000 0.216 119 P C 1.622 178.971 177.300 0.082 0.000 1.154 119 P CA 2.343 65.489 63.100 0.076 0.000 0.865 119 P CB -0.097 31.635 31.700 0.053 0.000 0.789 120 E N 0.381 120.616 120.200 0.058 0.000 2.106 120 E HA -0.141 4.208 4.350 -0.000 0.000 0.192 120 E C 2.010 178.637 176.600 0.046 0.000 0.984 120 E CA 1.210 57.636 56.400 0.044 0.000 0.806 120 E CB -0.427 29.285 29.700 0.020 0.000 0.750 120 E HN 0.148 nan 8.360 nan 0.000 0.458 121 A N 0.818 123.667 122.820 0.048 0.000 1.968 121 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 121 A C 2.386 180.057 177.584 0.145 0.000 1.169 121 A CA 1.093 53.129 52.037 -0.001 0.000 0.638 121 A CB -0.421 18.537 19.000 -0.070 0.000 0.812 121 A HN 0.202 nan 8.150 nan 0.000 0.446 122 V N 0.410 120.470 119.914 0.242 0.000 2.343 122 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 122 V C 2.535 178.790 176.094 0.268 0.000 1.051 122 V CA 2.319 64.823 62.300 0.339 0.000 1.036 122 V CB -0.778 31.207 31.823 0.271 0.000 0.654 122 V HN 0.746 nan 8.190 nan 0.000 0.451 123 E N 0.593 120.899 120.200 0.178 0.000 2.208 123 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 123 E C 2.025 178.718 176.600 0.155 0.000 0.988 123 E CA 1.025 57.512 56.400 0.145 0.000 0.828 123 E CB -0.253 29.506 29.700 0.099 0.000 0.763 123 E HN 0.289 nan 8.360 nan 0.000 0.478 124 K N 0.357 120.849 120.400 0.153 0.000 2.442 124 K HA 0.004 4.324 4.320 -0.000 0.000 0.198 124 K C 0.206 176.976 176.600 0.283 0.000 1.044 124 K CA 0.225 56.604 56.287 0.153 0.000 0.948 124 K CB -0.408 32.126 32.500 0.056 0.000 0.762 124 K HN 0.323 nan 8.250 nan 0.000 0.472 125 I N 2.693 123.478 120.570 0.359 0.000 2.662 125 I HA -0.106 4.064 4.170 -0.000 0.000 0.285 125 I C 0.864 177.169 176.117 0.314 0.000 1.161 125 I CA 0.121 61.678 61.300 0.428 0.000 1.415 125 I CB 0.152 38.353 38.000 0.336 0.000 1.385 125 I HN 0.029 nan 8.210 nan 0.000 0.552 126 D N 7.099 127.727 120.400 0.380 0.000 2.389 126 D HA 0.078 4.718 4.640 -0.000 0.000 0.247 126 D C 0.374 176.755 176.300 0.136 0.000 1.128 126 D CA -0.062 54.060 54.000 0.203 0.000 0.884 126 D CB 1.404 42.253 40.800 0.080 0.000 1.194 126 D HN 0.314 nan 8.370 nan 0.000 0.441 127 I N 2.867 123.487 120.570 0.083 0.000 3.818 127 I HA 0.051 4.221 4.170 -0.000 0.000 0.242 127 I C 2.378 178.517 176.117 0.037 0.000 1.111 127 I CA 0.388 61.723 61.300 0.059 0.000 1.576 127 I CB -1.452 36.585 38.000 0.061 0.000 1.572 127 I HN 0.604 nan 8.210 nan 0.000 0.450 128 G N 1.197 110.023 108.800 0.043 0.000 2.476 128 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 128 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 128 G C 1.629 176.550 174.900 0.036 0.000 1.164 128 G CA 1.237 46.367 45.100 0.050 0.000 0.768 128 G HN 0.494 nan 8.290 nan 0.000 0.560 129 G N 0.608 109.410 108.800 0.003 0.000 2.514 129 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 129 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 129 G C 1.843 176.722 174.900 -0.035 0.000 1.198 129 G CA 1.867 46.955 45.100 -0.021 0.000 0.780 129 G HN 0.390 nan 8.290 nan 0.000 0.565 130 V N 1.906 121.776 119.914 -0.074 0.000 2.278 130 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 130 V C 3.361 179.440 176.094 -0.026 0.000 1.062 130 V CA 2.349 64.600 62.300 -0.082 0.000 1.038 130 V CB -1.300 30.477 31.823 -0.077 0.000 0.646 130 V HN 0.531 nan 8.190 nan 0.000 0.447 131 A N -0.110 122.721 122.820 0.018 0.000 1.948 131 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 131 A C 2.217 179.890 177.584 0.148 0.000 1.177 131 A CA 2.212 54.285 52.037 0.059 0.000 0.636 131 A CB -0.548 18.503 19.000 0.085 0.000 0.815 131 A HN 0.556 nan 8.150 nan 0.000 0.449 132 L N -0.948 120.355 121.223 0.134 0.000 2.023 132 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 132 L C 2.563 179.440 176.870 0.012 0.000 1.073 132 L CA 1.079 55.972 54.840 0.088 0.000 0.745 132 L CB -0.748 41.314 42.059 0.004 0.000 0.900 132 L HN 0.328 nan 8.230 nan 0.000 0.435 133 L N -0.307 120.892 121.223 -0.039 0.000 1.997 133 L HA -0.265 4.075 4.340 -0.000 0.000 0.216 133 L C 2.924 179.655 176.870 -0.231 0.000 1.074 133 L CA 1.619 56.388 54.840 -0.119 0.000 0.763 133 L CB -0.636 41.354 42.059 -0.115 0.000 0.890 133 L HN 0.204 nan 8.230 nan 0.000 0.434 134 R N -0.282 120.099 120.500 -0.198 0.000 2.096 134 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 134 R C 2.396 178.664 176.300 -0.054 0.000 1.127 134 R CA 1.232 57.201 56.100 -0.220 0.000 0.968 134 R CB -0.532 29.770 30.300 0.003 0.000 0.861 134 R HN 0.409 nan 8.270 nan 0.000 0.440 135 A N 1.514 124.343 122.820 0.014 0.000 1.855 135 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 135 A C 2.417 180.040 177.584 0.065 0.000 1.191 135 A CA 1.465 53.549 52.037 0.079 0.000 0.613 135 A CB -0.678 18.428 19.000 0.178 0.000 0.829 135 A HN 0.360 nan 8.150 nan 0.000 0.442 136 A N 0.077 122.911 122.820 0.023 0.000 1.851 136 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 136 A C 2.561 180.158 177.584 0.022 0.000 1.195 136 A CA 2.519 54.567 52.037 0.018 0.000 0.622 136 A CB -1.317 17.678 19.000 -0.009 0.000 0.831 136 A HN 1.202 nan 8.150 nan 0.000 0.444 137 A N -0.392 122.369 122.820 -0.098 0.000 1.948 137 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 137 A C 2.146 179.829 177.584 0.165 0.000 1.177 137 A CA 2.330 54.289 52.037 -0.131 0.000 0.636 137 A CB -0.527 18.041 19.000 -0.720 0.000 0.815 137 A HN 0.614 nan 8.150 nan 0.000 0.449 138 K N -0.605 119.934 120.400 0.231 0.000 2.002 138 K HA -0.153 4.166 4.320 -0.000 0.000 0.209 138 K C 1.187 177.998 176.600 0.352 0.000 1.048 138 K CA 1.387 57.898 56.287 0.373 0.000 0.930 138 K CB -0.189 32.483 32.500 0.286 0.000 0.714 138 K HN 0.383 nan 8.250 nan 0.000 0.438 139 N N 1.530 120.354 118.700 0.206 0.000 2.482 139 N HA -0.086 4.654 4.740 -0.000 0.000 0.220 139 N C 0.908 176.489 175.510 0.118 0.000 1.255 139 N CA 0.179 53.304 53.050 0.125 0.000 0.850 139 N CB -0.284 38.251 38.487 0.079 0.000 1.127 139 N HN 0.410 nan 8.380 nan 0.000 0.475 140 H N -1.182 117.935 119.070 0.079 0.000 2.492 140 H HA -0.090 4.466 4.556 -0.000 0.000 0.296 140 H C 1.509 176.874 175.328 0.061 0.000 1.095 140 H CA 1.163 57.254 56.048 0.071 0.000 1.281 140 H CB -0.496 29.322 29.762 0.094 0.000 1.374 140 H HN 0.191 nan 8.280 nan 0.000 0.545 141 A N 1.684 124.266 122.820 -0.396 0.000 1.903 141 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 141 A C 2.650 180.175 177.584 -0.099 0.000 1.191 141 A CA 2.580 54.437 52.037 -0.301 0.000 0.638 141 A CB -0.599 18.272 19.000 -0.216 0.000 0.823 141 A HN 0.541 nan 8.150 nan 0.000 0.451 142 R N -1.628 118.849 120.500 -0.039 0.000 2.167 142 R HA 0.201 4.541 4.340 -0.000 0.000 0.195 142 R C 0.031 176.346 176.300 0.025 0.000 1.027 142 R CA 0.475 56.574 56.100 -0.002 0.000 1.114 142 R CB 0.080 30.382 30.300 0.002 0.000 1.075 142 R HN 0.235 nan 8.270 nan 0.000 0.538 143 V N 2.198 122.136 119.914 0.041 0.000 2.872 143 V HA 0.063 4.183 4.120 -0.000 0.000 0.307 143 V C -0.036 176.100 176.094 0.070 0.000 1.072 143 V CA 0.539 62.870 62.300 0.051 0.000 1.148 143 V CB 1.432 33.288 31.823 0.054 0.000 0.954 143 V HN 0.287 nan 8.190 nan 0.000 0.490 144 T N 4.043 118.634 114.554 0.062 0.000 3.149 144 T HA 0.293 4.643 4.350 -0.000 0.000 0.373 144 T C -0.303 174.449 174.700 0.087 0.000 1.364 144 T CA -0.094 62.056 62.100 0.083 0.000 1.110 144 T CB 0.847 69.763 68.868 0.080 0.000 1.127 144 T HN 0.502 nan 8.240 nan 0.000 0.576 145 V N 4.481 124.440 119.914 0.075 0.000 2.732 145 V HA 0.625 4.745 4.120 -0.000 0.000 0.297 145 V C -0.501 175.634 176.094 0.069 0.000 1.060 145 V CA 0.114 62.444 62.300 0.050 0.000 1.038 145 V CB 1.143 32.961 31.823 -0.009 0.000 1.003 145 V HN 0.568 nan 8.190 nan 0.000 0.481 146 V N 5.539 125.497 119.914 0.073 0.000 2.711 146 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 146 V C 0.130 176.234 176.094 0.017 0.000 1.097 146 V CA -0.135 62.212 62.300 0.077 0.000 0.906 146 V CB 1.568 33.527 31.823 0.227 0.000 1.015 146 V HN 1.120 nan 8.190 nan 0.000 0.427 147 C N -0.117 119.122 119.300 -0.101 0.000 3.772 147 C HA 0.442 4.902 4.460 -0.000 0.000 0.293 147 C C 0.043 174.840 174.990 -0.322 0.000 1.659 147 C CA -0.243 58.653 59.018 -0.203 0.000 1.810 147 C CB -0.522 27.029 27.740 -0.316 0.000 3.059 147 C HN 0.829 nan 8.230 nan 0.000 0.617 148 D N 1.449 121.659 120.400 -0.316 0.000 2.473 148 D HA 0.313 4.953 4.640 -0.000 0.000 0.253 148 D C -2.021 173.893 176.300 -0.643 0.000 1.233 148 D CA -1.171 52.596 54.000 -0.388 0.000 0.908 148 D CB 2.419 43.049 40.800 -0.284 0.000 1.170 148 D HN -0.136 nan 8.370 nan 0.000 0.558 149 P HA -0.182 nan 4.420 nan 0.000 0.218 149 P C 1.160 177.959 177.300 -0.835 0.000 1.152 149 P CA 1.541 63.738 63.100 -1.505 0.000 0.857 149 P CB 0.223 31.496 31.700 -0.712 0.000 0.787 150 A N -1.162 121.390 122.820 -0.445 0.000 2.194 150 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 150 A C 1.592 179.044 177.584 -0.220 0.000 1.162 150 A CA 2.167 54.054 52.037 -0.249 0.000 0.674 150 A CB -1.202 17.699 19.000 -0.164 0.000 0.789 150 A HN 0.179 nan 8.150 nan 0.000 0.470 151 D N -2.101 118.111 120.400 -0.313 0.000 2.320 151 D HA 0.079 4.719 4.640 -0.000 0.000 0.228 151 D C 1.305 177.476 176.300 -0.215 0.000 0.978 151 D CA 0.697 54.584 54.000 -0.189 0.000 0.905 151 D CB -0.363 40.355 40.800 -0.136 0.000 1.051 151 D HN 0.314 nan 8.370 nan 0.000 0.471 152 Y N 1.572 121.557 120.300 -0.525 0.000 1.971 152 Y HA -0.408 4.142 4.550 -0.000 0.000 0.181 152 Y C 2.681 178.180 175.900 -0.668 0.000 1.167 152 Y CA 1.331 58.715 58.100 -1.192 0.000 0.869 152 Y CB -1.894 35.969 38.460 -0.994 0.000 0.693 152 Y HN 0.006 nan 8.280 nan 0.000 0.587 153 S N -0.232 115.409 115.700 -0.099 0.000 2.434 153 S HA -0.309 4.161 4.470 -0.000 0.000 0.240 153 S C 2.290 176.928 174.600 0.063 0.000 1.052 153 S CA 3.279 61.497 58.200 0.029 0.000 1.198 153 S CB -0.986 62.225 63.200 0.017 0.000 1.124 153 S HN 0.659 nan 8.310 nan 0.000 0.426 154 S N 1.055 116.768 115.700 0.021 0.000 2.413 154 S HA -0.143 4.327 4.470 -0.000 0.000 0.237 154 S C 1.848 176.490 174.600 0.070 0.000 1.044 154 S CA 1.646 59.863 58.200 0.029 0.000 1.024 154 S CB -1.176 62.022 63.200 -0.004 0.000 0.829 154 S HN 0.470 nan 8.310 nan 0.000 0.475 155 V N 2.692 122.675 119.914 0.115 0.000 2.239 155 V HA -0.100 4.020 4.120 -0.000 0.000 0.242 155 V C 3.000 179.270 176.094 0.293 0.000 1.038 155 V CA 1.443 63.881 62.300 0.230 0.000 1.002 155 V CB -1.724 30.335 31.823 0.394 0.000 0.641 155 V HN 0.607 nan 8.190 nan 0.000 0.449 156 A N 0.704 123.812 122.820 0.480 0.000 1.870 156 A HA -0.357 3.963 4.320 -0.000 0.000 0.219 156 A C 2.184 179.863 177.584 0.158 0.000 1.224 156 A CA 2.882 55.127 52.037 0.347 0.000 0.650 156 A CB -0.808 18.423 19.000 0.384 0.000 0.836 156 A HN 0.613 nan 8.150 nan 0.000 0.454 157 K N -0.825 119.654 120.400 0.131 0.000 2.005 157 K HA -0.324 3.996 4.320 -0.000 0.000 0.229 157 K C 2.120 178.757 176.600 0.062 0.000 1.050 157 K CA 2.138 58.470 56.287 0.075 0.000 0.994 157 K CB -0.502 32.033 32.500 0.057 0.000 0.736 157 K HN 0.739 nan 8.250 nan 0.000 0.448 158 E N 0.793 121.032 120.200 0.064 0.000 2.147 158 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 158 E C 2.081 178.707 176.600 0.044 0.000 1.005 158 E CA 1.499 57.928 56.400 0.048 0.000 0.810 158 E CB -0.026 29.703 29.700 0.048 0.000 0.736 158 E HN 0.296 nan 8.360 nan 0.000 0.460 159 M N -0.056 119.578 119.600 0.057 0.000 2.296 159 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 159 M C 2.202 178.508 176.300 0.010 0.000 1.064 159 M CA 0.957 56.273 55.300 0.026 0.000 1.109 159 M CB -0.173 32.431 32.600 0.006 0.000 1.396 159 M HN 0.282 nan 8.290 nan 0.000 0.430 160 A N 0.775 123.606 122.820 0.019 0.000 1.822 160 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 160 A C 2.333 179.922 177.584 0.009 0.000 1.245 160 A CA 1.819 53.862 52.037 0.010 0.000 0.608 160 A CB -1.378 17.633 19.000 0.018 0.000 0.896 160 A HN 0.428 nan 8.150 nan 0.000 0.457 161 A N 0.352 123.180 122.820 0.013 0.000 1.954 161 A HA -0.149 4.171 4.320 -0.000 0.000 0.222 161 A C 1.740 179.329 177.584 0.008 0.000 1.199 161 A CA 2.074 54.118 52.037 0.010 0.000 0.657 161 A CB -1.830 17.178 19.000 0.012 0.000 0.823 161 A HN 1.438 nan 8.150 nan 0.000 0.463 162 S N 0.937 116.643 115.700 0.010 0.000 2.643 162 S HA 0.082 4.552 4.470 -0.000 0.000 0.329 162 S C 1.111 175.713 174.600 0.004 0.000 1.193 162 S CA 0.340 58.545 58.200 0.009 0.000 1.293 162 S CB 0.203 63.410 63.200 0.012 0.000 1.205 162 S HN 0.698 nan 8.310 nan 0.000 0.550 163 K N 3.280 123.682 120.400 0.003 0.000 2.071 163 K HA -0.288 4.032 4.320 -0.000 0.000 0.217 163 K C 0.724 177.324 176.600 -0.001 0.000 1.054 163 K CA 2.264 58.551 56.287 0.001 0.000 0.937 163 K CB -1.002 31.499 32.500 0.002 0.000 0.719 163 K HN 0.757 nan 8.250 nan 0.000 0.454 164 D N 1.433 121.833 120.400 0.000 0.000 2.348 164 D HA -0.040 4.600 4.640 -0.000 0.000 0.248 164 D C -0.239 176.059 176.300 -0.004 0.000 1.142 164 D CA 0.199 54.198 54.000 -0.001 0.000 0.904 164 D CB -0.250 40.550 40.800 0.001 0.000 0.901 164 D HN 0.321 nan 8.370 nan 0.000 0.523 165 K N 0.418 120.815 120.400 -0.006 0.000 3.071 165 K HA -0.165 4.155 4.320 -0.000 0.000 0.262 165 K C -0.668 175.926 176.600 -0.011 0.000 0.977 165 K CA 0.839 57.119 56.287 -0.012 0.000 0.721 165 K CB -0.953 31.535 32.500 -0.019 0.000 1.293 165 K HN 0.375 nan 8.250 nan 0.000 0.475 166 D N -0.371 120.028 120.400 -0.001 0.000 2.803 166 D HA 0.074 4.714 4.640 -0.000 0.000 0.218 166 D C -0.185 176.126 176.300 0.018 0.000 1.245 166 D CA 0.044 54.048 54.000 0.006 0.000 0.821 166 D CB 1.493 42.297 40.800 0.005 0.000 1.626 166 D HN 0.139 nan 8.370 nan 0.000 0.487 167 T N -0.077 114.495 114.554 0.030 0.000 2.788 167 T HA 0.210 4.560 4.350 -0.000 0.000 0.333 167 T C 0.854 175.577 174.700 0.037 0.000 1.090 167 T CA -0.417 61.709 62.100 0.044 0.000 1.094 167 T CB 0.344 69.251 68.868 0.065 0.000 0.999 167 T HN 0.333 nan 8.240 nan 0.000 0.549 168 S N 0.417 116.140 115.700 0.038 0.000 2.603 168 S HA 0.223 4.693 4.470 -0.000 0.000 0.268 168 S C 1.190 175.818 174.600 0.047 0.000 1.317 168 S CA -0.504 57.716 58.200 0.033 0.000 1.012 168 S CB 1.333 64.548 63.200 0.025 0.000 0.926 168 S HN 0.811 nan 8.310 nan 0.000 0.539 169 V N 1.612 121.552 119.914 0.043 0.000 2.667 169 V HA -0.097 4.023 4.120 -0.000 0.000 0.252 169 V C 2.483 178.629 176.094 0.087 0.000 1.065 169 V CA 1.983 64.316 62.300 0.056 0.000 1.083 169 V CB -0.950 30.893 31.823 0.033 0.000 0.692 169 V HN 0.968 nan 8.190 nan 0.000 0.468 170 E N -0.578 119.664 120.200 0.070 0.000 2.072 170 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 170 E C 2.077 178.737 176.600 0.099 0.000 0.985 170 E CA 1.855 58.303 56.400 0.080 0.000 0.801 170 E CB -1.278 28.452 29.700 0.049 0.000 0.750 170 E HN 0.568 nan 8.360 nan 0.000 0.452 171 T N 1.683 116.278 114.554 0.069 0.000 2.720 171 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 171 T C 1.926 176.721 174.700 0.158 0.000 1.037 171 T CA 1.364 63.507 62.100 0.072 0.000 1.144 171 T CB -0.178 68.712 68.868 0.037 0.000 0.864 171 T HN 0.177 nan 8.240 nan 0.000 0.444 172 R N 0.789 121.375 120.500 0.142 0.000 2.127 172 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 172 R C 2.642 179.069 176.300 0.212 0.000 1.134 172 R CA 1.111 57.312 56.100 0.168 0.000 0.975 172 R CB -0.192 30.198 30.300 0.150 0.000 0.865 172 R HN 0.471 nan 8.270 nan 0.000 0.447 173 R N -0.954 119.681 120.500 0.226 0.000 2.057 173 R HA -0.112 4.228 4.340 -0.000 0.000 0.229 173 R C 2.198 178.574 176.300 0.126 0.000 1.136 173 R CA 1.438 57.654 56.100 0.192 0.000 0.952 173 R CB -0.784 29.634 30.300 0.195 0.000 0.848 173 R HN 0.328 nan 8.270 nan 0.000 0.430 174 H N 1.418 120.519 119.070 0.052 0.000 2.272 174 H HA -0.201 4.355 4.556 -0.000 0.000 0.289 174 H C 1.876 177.217 175.328 0.021 0.000 1.100 174 H CA 2.211 58.278 56.048 0.031 0.000 1.209 174 H CB -0.184 29.596 29.762 0.030 0.000 1.348 174 H HN 0.009 nan 8.280 nan 0.000 0.481 175 L N 0.122 121.400 121.223 0.091 0.000 2.046 175 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 175 L C 2.901 179.750 176.870 -0.035 0.000 1.077 175 L CA 1.585 56.430 54.840 0.007 0.000 0.747 175 L CB -1.891 40.228 42.059 0.100 0.000 0.896 175 L HN 0.589 nan 8.230 nan 0.000 0.432 176 A N -0.131 122.689 122.820 -0.000 0.000 1.908 176 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 176 A C 2.392 179.995 177.584 0.031 0.000 1.181 176 A CA 1.580 53.601 52.037 -0.027 0.000 0.627 176 A CB -0.687 18.255 19.000 -0.096 0.000 0.818 176 A HN 0.394 nan 8.150 nan 0.000 0.445 177 L N -0.769 120.465 121.223 0.018 0.000 1.976 177 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 177 L C 2.552 179.439 176.870 0.029 0.000 1.071 177 L CA 2.458 57.330 54.840 0.053 0.000 0.746 177 L CB -0.456 41.593 42.059 -0.017 0.000 0.890 177 L HN 0.469 nan 8.230 nan 0.000 0.432 178 K N -0.335 120.020 120.400 -0.075 0.000 2.052 178 K HA -0.295 4.025 4.320 -0.000 0.000 0.215 178 K C 1.951 178.525 176.600 -0.044 0.000 1.053 178 K CA 2.111 58.339 56.287 -0.099 0.000 0.934 178 K CB -0.318 32.066 32.500 -0.193 0.000 0.717 178 K HN 0.533 nan 8.250 nan 0.000 0.450 179 A N 0.360 123.134 122.820 -0.078 0.000 1.841 179 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 179 A C 2.034 179.569 177.584 -0.081 0.000 1.199 179 A CA 1.857 53.823 52.037 -0.118 0.000 0.621 179 A CB -1.098 17.752 19.000 -0.249 0.000 0.835 179 A HN 0.369 nan 8.150 nan 0.000 0.445 180 F N 0.960 120.910 119.950 -0.000 0.000 2.154 180 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 180 F C 2.788 178.595 175.800 0.012 0.000 1.087 180 F CA 1.866 59.865 58.000 -0.002 0.000 1.274 180 F CB -1.058 37.926 39.000 -0.027 0.000 1.009 180 F HN 0.189 nan 8.300 nan 0.000 0.485 181 T N -2.151 112.513 114.554 0.183 0.000 2.708 181 T HA -0.267 4.083 4.350 -0.000 0.000 0.266 181 T C 1.735 176.511 174.700 0.128 0.000 1.037 181 T CA 1.796 63.969 62.100 0.122 0.000 1.146 181 T CB -0.602 68.310 68.868 0.074 0.000 0.865 181 T HN 0.273 nan 8.240 nan 0.000 0.435 182 H N 1.364 120.437 119.070 0.005 0.000 2.426 182 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 182 H C 2.291 177.632 175.328 0.022 0.000 1.107 182 H CA 2.093 58.137 56.048 -0.006 0.000 1.298 182 H CB -0.392 29.338 29.762 -0.054 0.000 1.377 182 H HN 0.517 nan 8.280 nan 0.000 0.519 183 T N -2.822 111.753 114.554 0.034 0.000 2.781 183 T HA 0.103 4.453 4.350 -0.000 0.000 0.252 183 T C 2.369 177.107 174.700 0.063 0.000 1.039 183 T CA 0.886 62.989 62.100 0.005 0.000 1.147 183 T CB -1.027 67.859 68.868 0.029 0.000 0.865 183 T HN 0.330 nan 8.240 nan 0.000 0.423 184 A N 1.941 124.813 122.820 0.086 0.000 1.940 184 A HA -0.280 4.040 4.320 -0.000 0.000 0.221 184 A C 2.461 180.063 177.584 0.029 0.000 1.190 184 A CA 2.214 54.287 52.037 0.060 0.000 0.647 184 A CB -1.093 17.946 19.000 0.066 0.000 0.821 184 A HN 0.681 nan 8.150 nan 0.000 0.457 185 Q N -2.360 117.461 119.800 0.035 0.000 2.020 185 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 185 Q C 2.096 178.095 176.000 -0.002 0.000 0.982 185 Q CA 1.804 57.616 55.803 0.016 0.000 0.838 185 Q CB -0.367 28.388 28.738 0.029 0.000 0.899 185 Q HN 0.822 nan 8.270 nan 0.000 0.423 186 Y N 1.732 121.941 120.300 -0.150 0.000 2.114 186 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 186 Y C 1.691 177.454 175.900 -0.229 0.000 1.165 186 Y CA 2.097 60.085 58.100 -0.186 0.000 1.148 186 Y CB -0.196 38.130 38.460 -0.222 0.000 0.972 186 Y HN 0.144 nan 8.280 nan 0.000 0.504 187 D N -0.593 119.765 120.400 -0.070 0.000 2.078 187 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 187 D C 2.311 178.455 176.300 -0.259 0.000 0.990 187 D CA 1.745 55.626 54.000 -0.197 0.000 0.827 187 D CB -0.503 40.246 40.800 -0.085 0.000 0.975 187 D HN 0.410 nan 8.370 nan 0.000 0.451 188 A N 0.658 123.387 122.820 -0.152 0.000 1.958 188 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 188 A C 2.255 179.735 177.584 -0.175 0.000 1.178 188 A CA 2.525 54.483 52.037 -0.131 0.000 0.642 188 A CB -1.081 17.881 19.000 -0.064 0.000 0.816 188 A HN 0.290 nan 8.150 nan 0.000 0.453 189 A N -0.204 122.491 122.820 -0.208 0.000 1.883 189 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 189 A C 2.152 179.584 177.584 -0.252 0.000 1.186 189 A CA 1.613 53.533 52.037 -0.194 0.000 0.624 189 A CB -0.585 18.289 19.000 -0.210 0.000 0.822 189 A HN 0.537 nan 8.150 nan 0.000 0.444 190 I N 0.564 120.776 120.570 -0.597 0.000 2.133 190 I HA -0.258 3.912 4.170 -0.000 0.000 0.238 190 I C 2.921 178.857 176.117 -0.301 0.000 1.074 190 I CA 1.682 62.545 61.300 -0.728 0.000 1.342 190 I CB -0.504 36.870 38.000 -1.043 0.000 1.053 190 I HN 0.486 nan 8.210 nan 0.000 0.404 191 S N 0.273 115.747 115.700 -0.377 0.000 2.402 191 S HA -0.286 4.184 4.470 -0.000 0.000 0.233 191 S C 1.639 176.194 174.600 -0.076 0.000 1.030 191 S CA 1.749 59.798 58.200 -0.252 0.000 1.003 191 S CB -0.625 62.447 63.200 -0.214 0.000 0.813 191 S HN 0.496 nan 8.310 nan 0.000 0.477 192 D N 0.695 121.037 120.400 -0.097 0.000 2.097 192 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 192 D C 1.775 178.100 176.300 0.042 0.000 0.989 192 D CA 1.253 55.186 54.000 -0.111 0.000 0.827 192 D CB -0.542 40.186 40.800 -0.120 0.000 0.966 192 D HN 0.465 nan 8.370 nan 0.000 0.456 193 Y N -0.060 120.263 120.300 0.039 0.000 2.181 193 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 193 Y C 1.852 177.834 175.900 0.137 0.000 1.146 193 Y CA 1.327 59.499 58.100 0.120 0.000 1.164 193 Y CB -0.706 37.933 38.460 0.298 0.000 0.982 193 Y HN -0.057 nan 8.280 nan 0.000 0.515 194 F N 0.190 120.025 119.950 -0.192 0.000 2.186 194 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 194 F C 2.577 178.271 175.800 -0.176 0.000 1.090 194 F CA 1.415 59.269 58.000 -0.243 0.000 1.307 194 F CB -0.840 38.159 39.000 -0.003 0.000 1.019 194 F HN -0.052 nan 8.300 nan 0.000 0.489 195 R N 0.469 121.019 120.500 0.083 0.000 2.082 195 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 195 R C 2.176 178.448 176.300 -0.047 0.000 1.136 195 R CA 1.842 57.952 56.100 0.017 0.000 0.935 195 R CB -0.392 29.879 30.300 -0.049 0.000 0.842 195 R HN 0.226 nan 8.270 nan 0.000 0.430 196 K N -0.080 120.265 120.400 -0.092 0.000 2.209 196 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 196 K C 1.971 178.453 176.600 -0.196 0.000 1.048 196 K CA 1.063 57.286 56.287 -0.107 0.000 0.940 196 K CB 0.088 32.550 32.500 -0.063 0.000 0.729 196 K HN 0.176 nan 8.250 nan 0.000 0.451 197 E N 0.040 120.004 120.200 -0.392 0.000 2.011 197 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 197 E C 2.074 178.454 176.600 -0.367 0.000 0.979 197 E CA 1.448 57.494 56.400 -0.591 0.000 0.822 197 E CB -0.384 28.546 29.700 -1.284 0.000 0.782 197 E HN 0.326 nan 8.360 nan 0.000 0.459 198 Y N 0.268 120.441 120.300 -0.211 0.000 2.448 198 Y HA 0.138 4.688 4.550 -0.000 0.000 0.289 198 Y C 2.244 178.099 175.900 -0.076 0.000 1.114 198 Y CA 0.515 58.531 58.100 -0.141 0.000 1.235 198 Y CB -0.129 38.241 38.460 -0.151 0.000 1.045 198 Y HN -0.068 nan 8.280 nan 0.000 0.554 199 S N 0.143 115.902 115.700 0.098 0.000 2.582 199 S HA 0.078 4.548 4.470 -0.000 0.000 0.234 199 S C 0.592 175.206 174.600 0.022 0.000 0.961 199 S CA -0.398 57.839 58.200 0.062 0.000 0.953 199 S CB -0.341 62.902 63.200 0.071 0.000 0.800 199 S HN -0.009 nan 8.310 nan 0.000 0.471 200 K N 1.368 121.768 120.400 -0.001 0.000 2.412 200 K HA 0.214 4.534 4.320 -0.000 0.000 0.281 200 K C 1.000 177.594 176.600 -0.010 0.000 1.027 200 K CA 1.163 57.441 56.287 -0.014 0.000 0.989 200 K CB 0.251 32.731 32.500 -0.034 0.000 0.935 200 K HN 0.381 nan 8.250 nan 0.000 0.475 201 G N 2.443 111.235 108.800 -0.014 0.000 2.143 201 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.249 201 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.249 201 G C 0.290 175.178 174.900 -0.019 0.000 0.981 201 G CA 0.374 45.461 45.100 -0.022 0.000 0.665 201 G HN 0.483 nan 8.290 nan 0.000 0.528 202 V N -1.020 118.889 119.914 -0.010 0.000 3.442 202 V HA 0.354 4.474 4.120 -0.000 0.000 0.205 202 V C 2.092 178.184 176.094 -0.002 0.000 1.320 202 V CA 1.846 64.143 62.300 -0.006 0.000 1.306 202 V CB 0.201 32.028 31.823 0.006 0.000 1.267 202 V HN 0.956 nan 8.190 nan 0.000 0.538 203 S N -1.347 114.364 115.700 0.018 0.000 2.559 203 S HA 0.234 4.704 4.470 -0.000 0.000 0.226 203 S C 0.615 175.255 174.600 0.066 0.000 1.030 203 S CA -0.082 58.140 58.200 0.037 0.000 0.956 203 S CB 0.573 63.807 63.200 0.057 0.000 0.900 203 S HN 0.450 nan 8.310 nan 0.000 0.510 204 Q N 0.727 120.557 119.800 0.049 0.000 2.387 204 Q HA 0.621 4.961 4.340 -0.000 0.000 0.273 204 Q C -2.041 173.976 176.000 0.028 0.000 1.089 204 Q CA -0.824 55.021 55.803 0.070 0.000 0.824 204 Q CB 2.196 30.956 28.738 0.038 0.000 1.367 204 Q HN 0.512 nan 8.270 nan 0.000 0.443 205 L N 5.070 126.313 121.223 0.033 0.000 2.568 205 L HA 0.463 4.803 4.340 -0.000 0.000 0.262 205 L C -2.535 174.337 176.870 0.004 0.000 0.980 205 L CA -1.512 53.325 54.840 -0.004 0.000 0.882 205 L CB 2.281 44.316 42.059 -0.040 0.000 1.198 205 L HN 0.446 nan 8.230 nan 0.000 0.425 206 P HA 0.146 nan 4.420 nan 0.000 0.271 206 P C -1.100 176.198 177.300 -0.003 0.000 1.216 206 P CA 0.068 63.175 63.100 0.011 0.000 0.771 206 P CB 1.200 32.902 31.700 0.004 0.000 0.864 207 L N 3.590 124.818 121.223 0.009 0.000 2.330 207 L HA 0.411 4.751 4.340 -0.000 0.000 0.271 207 L C 1.931 178.788 176.870 -0.022 0.000 1.013 207 L CA -0.967 53.863 54.840 -0.018 0.000 0.816 207 L CB 1.347 43.416 42.059 0.017 0.000 1.287 207 L HN 0.185 nan 8.230 nan 0.000 0.435 208 R N 1.089 121.541 120.500 -0.080 0.000 2.070 208 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 208 R C -0.513 175.827 176.300 0.068 0.000 1.138 208 R CA 1.545 57.637 56.100 -0.014 0.000 0.936 208 R CB -0.398 29.894 30.300 -0.013 0.000 0.839 208 R HN 0.623 nan 8.270 nan 0.000 0.429 209 Y N -4.226 116.088 120.300 0.024 0.000 2.670 209 Y HA 0.699 5.249 4.550 -0.000 0.000 0.334 209 Y C 0.645 176.517 175.900 -0.047 0.000 1.185 209 Y CA -1.349 56.740 58.100 -0.019 0.000 1.053 209 Y CB 0.384 38.821 38.460 -0.038 0.000 1.298 209 Y HN 0.032 nan 8.280 nan 0.000 0.459 210 G N 0.570 109.369 108.800 -0.001 0.000 2.913 210 G HA2 0.061 4.021 3.960 -0.000 0.000 0.145 210 G HA3 0.061 4.021 3.960 -0.000 0.000 0.145 210 G C 0.581 175.193 174.900 -0.480 0.000 1.801 210 G CA 0.264 45.104 45.100 -0.434 0.000 1.033 210 G HN 0.737 nan 8.290 nan 0.000 0.495 211 M N 0.102 119.338 119.600 -0.606 0.000 2.296 211 M HA 0.135 4.615 4.480 -0.000 0.000 0.265 211 M C 0.208 176.497 176.300 -0.019 0.000 1.064 211 M CA 0.847 55.971 55.300 -0.294 0.000 1.109 211 M CB -0.162 32.289 32.600 -0.249 0.000 1.396 211 M HN 0.303 nan 8.290 nan 0.000 0.430 212 N N -2.163 116.518 118.700 -0.032 0.000 2.525 212 N HA 0.274 5.014 4.740 -0.000 0.000 0.270 212 N C -2.467 172.951 175.510 -0.152 0.000 1.321 212 N CA -1.185 51.867 53.050 0.003 0.000 0.797 212 N CB 1.061 39.545 38.487 -0.004 0.000 1.529 212 N HN -0.317 nan 8.380 nan 0.000 0.491 213 P HA -0.166 nan 4.420 nan 0.000 0.216 213 P C 1.058 178.159 177.300 -0.332 0.000 1.150 213 P CA 1.553 64.151 63.100 -0.836 0.000 0.843 213 P CB -0.075 31.301 31.700 -0.540 0.000 0.787 214 H N -1.577 117.378 119.070 -0.193 0.000 2.555 214 H HA 0.113 4.669 4.556 -0.000 0.000 0.269 214 H C 0.241 175.537 175.328 -0.053 0.000 0.988 214 H CA 0.381 56.369 56.048 -0.100 0.000 1.178 214 H CB -0.635 29.085 29.762 -0.071 0.000 1.373 214 H HN 0.217 nan 8.280 nan 0.000 0.588 215 Q N 1.417 120.943 119.800 -0.456 0.000 2.456 215 Q HA 0.386 4.726 4.340 -0.000 0.000 0.234 215 Q C -0.819 175.121 176.000 -0.099 0.000 1.061 215 Q CA -0.381 55.231 55.803 -0.319 0.000 0.896 215 Q CB 1.307 29.801 28.738 -0.408 0.000 1.233 215 Q HN 0.180 nan 8.270 nan 0.000 0.506 216 S N 1.877 117.552 115.700 -0.041 0.000 2.556 216 S HA 0.701 5.171 4.470 -0.000 0.000 0.271 216 S C -2.339 172.268 174.600 0.011 0.000 1.135 216 S CA -1.068 57.144 58.200 0.021 0.000 0.858 216 S CB 1.057 64.293 63.200 0.060 0.000 1.114 216 S HN 0.532 nan 8.310 nan 0.000 0.468 217 P HA 0.857 nan 4.420 nan 0.000 0.293 217 P C -1.400 175.930 177.300 0.049 0.000 1.304 217 P CA -0.604 62.522 63.100 0.043 0.000 0.767 217 P CB 0.855 32.579 31.700 0.041 0.000 1.247 218 A N -0.448 122.417 122.820 0.075 0.000 2.605 218 A HA 0.601 4.921 4.320 -0.000 0.000 0.294 218 A C -1.322 176.343 177.584 0.135 0.000 1.062 218 A CA -0.554 51.559 52.037 0.127 0.000 0.682 218 A CB 1.580 20.668 19.000 0.145 0.000 1.278 218 A HN 0.795 nan 8.150 nan 0.000 0.410 219 Q N 0.003 119.905 119.800 0.170 0.000 2.685 219 Q HA 0.807 5.147 4.340 -0.000 0.000 0.301 219 Q C -1.973 174.090 176.000 0.106 0.000 0.924 219 Q CA -0.934 54.944 55.803 0.125 0.000 0.755 219 Q CB 1.553 30.369 28.738 0.131 0.000 1.470 219 Q HN 1.240 nan 8.270 nan 0.000 0.434 220 L N 1.833 123.088 121.223 0.053 0.000 2.365 220 L HA 0.788 5.128 4.340 -0.000 0.000 0.273 220 L C -1.748 175.165 176.870 0.072 0.000 1.000 220 L CA -0.356 54.459 54.840 -0.042 0.000 0.819 220 L CB 1.802 43.781 42.059 -0.135 0.000 1.284 220 L HN 0.766 nan 8.230 nan 0.000 0.418 221 Y N 0.955 121.213 120.300 -0.069 0.000 2.689 221 Y HA 0.786 5.336 4.550 -0.000 0.000 0.333 221 Y C -1.321 174.550 175.900 -0.047 0.000 1.208 221 Y CA -0.845 57.225 58.100 -0.050 0.000 1.055 221 Y CB 1.303 39.750 38.460 -0.022 0.000 1.304 221 Y HN 0.691 nan 8.280 nan 0.000 0.455 222 T N -0.011 114.646 114.554 0.171 0.000 2.916 222 T HA 0.349 4.699 4.350 -0.000 0.000 0.305 222 T C 0.548 175.376 174.700 0.214 0.000 1.119 222 T CA 0.033 62.182 62.100 0.082 0.000 1.008 222 T CB 1.367 70.240 68.868 0.008 0.000 1.129 222 T HN 1.165 nan 8.240 nan 0.000 0.480 223 T N 1.266 115.921 114.554 0.168 0.000 3.023 223 T HA 0.192 4.542 4.350 -0.000 0.000 0.266 223 T C 0.959 175.713 174.700 0.091 0.000 1.093 223 T CA 0.246 62.430 62.100 0.139 0.000 1.129 223 T CB -0.150 68.783 68.868 0.108 0.000 0.899 223 T HN 0.547 nan 8.240 nan 0.000 0.491 224 R N 1.743 122.296 120.500 0.088 0.000 2.801 224 R HA 0.205 4.545 4.340 -0.000 0.000 0.273 224 R C -1.555 174.782 176.300 0.061 0.000 1.080 224 R CA -1.520 54.624 56.100 0.074 0.000 1.197 224 R CB -0.304 30.055 30.300 0.098 0.000 1.109 224 R HN 0.090 nan 8.270 nan 0.000 0.535 225 P HA -0.154 nan 4.420 nan 0.000 0.215 225 P C -0.185 177.135 177.300 0.034 0.000 1.153 225 P CA 1.560 64.682 63.100 0.038 0.000 0.853 225 P CB 0.298 32.015 31.700 0.029 0.000 0.788 226 K N -1.143 119.276 120.400 0.031 0.000 2.443 226 K HA 0.389 4.709 4.320 -0.000 0.000 0.251 226 K C -1.175 175.422 176.600 -0.005 0.000 0.972 226 K CA -0.863 55.432 56.287 0.012 0.000 0.833 226 K CB 1.219 33.722 32.500 0.005 0.000 1.317 226 K HN -0.173 nan 8.250 nan 0.000 0.441 227 L N 4.451 125.649 121.223 -0.041 0.000 2.305 227 L HA 0.290 4.630 4.340 -0.000 0.000 0.281 227 L C -1.326 175.458 176.870 -0.144 0.000 1.085 227 L CA -1.737 53.040 54.840 -0.106 0.000 0.813 227 L CB 1.562 43.555 42.059 -0.110 0.000 1.157 227 L HN 0.656 nan 8.230 nan 0.000 0.436 228 P HA -0.109 nan 4.420 nan 0.000 0.223 228 P C 0.198 177.336 177.300 -0.270 0.000 1.151 228 P CA 0.818 63.772 63.100 -0.244 0.000 0.787 228 P CB 0.515 31.957 31.700 -0.430 0.000 0.788 229 L N 1.310 122.351 121.223 -0.303 0.000 2.276 229 L HA 0.387 4.727 4.340 -0.000 0.000 0.286 229 L C -0.304 176.447 176.870 -0.198 0.000 1.024 229 L CA -0.384 54.285 54.840 -0.286 0.000 0.826 229 L CB 1.145 43.002 42.059 -0.336 0.000 1.211 229 L HN -0.099 nan 8.230 nan 0.000 0.422 230 T N 1.390 115.849 114.554 -0.158 0.000 2.940 230 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 230 T C -0.285 174.349 174.700 -0.109 0.000 1.033 230 T CA -0.775 61.255 62.100 -0.117 0.000 1.033 230 T CB 1.912 70.726 68.868 -0.091 0.000 1.079 230 T HN 0.230 nan 8.240 nan 0.000 0.496 231 V N 2.895 122.751 119.914 -0.098 0.000 2.383 231 V HA 0.209 4.329 4.120 -0.000 0.000 0.275 231 V C 1.018 177.049 176.094 -0.105 0.000 1.036 231 V CA -0.396 61.844 62.300 -0.099 0.000 0.889 231 V CB 1.140 32.910 31.823 -0.088 0.000 0.985 231 V HN 0.920 nan 8.190 nan 0.000 0.459 232 V N 4.082 123.913 119.914 -0.139 0.000 2.992 232 V HA 0.174 4.294 4.120 -0.000 0.000 0.250 232 V C 0.608 176.609 176.094 -0.154 0.000 1.090 232 V CA 0.826 63.025 62.300 -0.169 0.000 1.101 232 V CB -0.154 31.495 31.823 -0.291 0.000 0.743 232 V HN 0.926 nan 8.190 nan 0.000 0.468 233 N N -1.610 117.002 118.700 -0.147 0.000 2.484 233 N HA 0.529 5.269 4.740 -0.000 0.000 0.269 233 N C -0.142 175.310 175.510 -0.096 0.000 1.237 233 N CA 0.594 53.579 53.050 -0.109 0.000 0.838 233 N CB 1.895 40.321 38.487 -0.103 0.000 1.593 233 N HN 0.368 nan 8.380 nan 0.000 0.485 234 G N 0.655 109.416 108.800 -0.065 0.000 2.801 234 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.244 234 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.244 234 G C -0.692 174.169 174.900 -0.065 0.000 1.385 234 G CA 0.061 45.127 45.100 -0.058 0.000 0.894 234 G HN 0.966 nan 8.290 nan 0.000 0.562 235 S N 1.211 116.877 115.700 -0.057 0.000 2.498 235 S HA 0.736 5.206 4.470 -0.000 0.000 0.317 235 S C -1.722 172.841 174.600 -0.062 0.000 1.090 235 S CA -0.357 57.809 58.200 -0.057 0.000 1.089 235 S CB 1.761 64.936 63.200 -0.042 0.000 0.997 235 S HN 0.810 nan 8.310 nan 0.000 0.470 236 P HA 0.398 nan 4.420 nan 0.000 0.277 236 P C 0.329 177.575 177.300 -0.090 0.000 1.240 236 P CA -0.260 62.802 63.100 -0.065 0.000 0.798 236 P CB 0.951 32.598 31.700 -0.087 0.000 0.979 237 G N 0.247 108.997 108.800 -0.084 0.000 2.531 237 G HA2 0.246 4.206 3.960 -0.000 0.000 0.281 237 G HA3 0.246 4.206 3.960 -0.000 0.000 0.281 237 G C 0.005 174.863 174.900 -0.071 0.000 1.382 237 G CA -0.612 44.419 45.100 -0.115 0.000 1.045 237 G HN 0.453 nan 8.290 nan 0.000 0.533 238 F N -0.512 119.316 119.950 -0.202 0.000 2.123 238 F HA 0.187 4.714 4.527 -0.000 0.000 0.289 238 F C 2.517 178.253 175.800 -0.106 0.000 1.099 238 F CA 0.920 58.834 58.000 -0.143 0.000 1.234 238 F CB -0.123 38.807 39.000 -0.118 0.000 1.034 238 F HN 0.199 nan 8.300 nan 0.000 0.479 239 I N 0.753 121.508 120.570 0.309 0.000 2.335 239 I HA -0.358 3.812 4.170 -0.000 0.000 0.251 239 I C 1.833 177.943 176.117 -0.012 0.000 1.129 239 I CA 1.688 63.104 61.300 0.194 0.000 1.402 239 I CB -0.779 37.346 38.000 0.208 0.000 1.069 239 I HN 0.322 nan 8.210 nan 0.000 0.424 240 N N 0.839 119.500 118.700 -0.065 0.000 2.094 240 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 240 N C 1.876 177.080 175.510 -0.509 0.000 1.023 240 N CA 1.076 53.992 53.050 -0.222 0.000 0.857 240 N CB -0.105 38.306 38.487 -0.126 0.000 1.013 240 N HN 0.308 nan 8.380 nan 0.000 0.426 241 L N 0.281 121.256 121.223 -0.413 0.000 2.141 241 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 241 L C 2.232 178.853 176.870 -0.414 0.000 1.094 241 L CA 0.610 55.170 54.840 -0.466 0.000 0.763 241 L CB -0.483 41.310 42.059 -0.444 0.000 0.908 241 L HN 0.404 nan 8.230 nan 0.000 0.437 242 C N -0.274 118.834 119.300 -0.321 0.000 2.466 242 C HA -0.114 4.346 4.460 -0.000 0.000 0.278 242 C C 2.443 177.305 174.990 -0.214 0.000 1.288 242 C CA 0.235 59.132 59.018 -0.203 0.000 1.722 242 C CB -0.627 27.081 27.740 -0.053 0.000 2.017 242 C HN 0.545 nan 8.230 nan 0.000 0.488 243 D N 1.280 121.549 120.400 -0.218 0.000 2.084 243 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 243 D C 2.368 178.365 176.300 -0.504 0.000 0.985 243 D CA 1.720 55.588 54.000 -0.221 0.000 0.826 243 D CB -0.604 40.196 40.800 -0.000 0.000 0.978 243 D HN 0.465 nan 8.370 nan 0.000 0.456 244 A N 1.685 124.075 122.820 -0.718 0.000 1.873 244 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 244 A C 2.262 179.615 177.584 -0.385 0.000 1.193 244 A CA 1.224 52.840 52.037 -0.702 0.000 0.629 244 A CB -0.728 17.688 19.000 -0.975 0.000 0.826 244 A HN 0.148 nan 8.150 nan 0.000 0.447 245 L N -0.426 120.577 121.223 -0.367 0.000 2.027 245 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 245 L C 2.217 178.909 176.870 -0.298 0.000 1.074 245 L CA 2.072 56.771 54.840 -0.235 0.000 0.745 245 L CB -1.967 39.965 42.059 -0.211 0.000 0.898 245 L HN 0.400 nan 8.230 nan 0.000 0.433 246 N N 0.204 118.639 118.700 -0.441 0.000 2.120 246 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 246 N C 1.888 176.824 175.510 -0.958 0.000 1.024 246 N CA 1.554 54.243 53.050 -0.603 0.000 0.852 246 N CB -0.162 38.046 38.487 -0.466 0.000 1.003 246 N HN 0.314 nan 8.380 nan 0.000 0.424 247 A N 0.499 122.618 122.820 -1.168 0.000 1.877 247 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 247 A C 2.078 179.485 177.584 -0.295 0.000 1.186 247 A CA 1.269 52.809 52.037 -0.830 0.000 0.620 247 A CB -1.236 17.463 19.000 -0.501 0.000 0.822 247 A HN 0.651 nan 8.150 nan 0.000 0.443 248 W N 0.930 122.014 121.300 -0.361 0.000 2.335 248 W HA -0.275 4.385 4.660 -0.000 0.000 0.311 248 W C 2.035 178.411 176.519 -0.238 0.000 1.213 248 W CA 2.074 59.285 57.345 -0.224 0.000 1.274 248 W CB -0.320 29.025 29.460 -0.193 0.000 1.148 248 W HN 0.547 nan 8.180 nan 0.000 0.498 249 Q N 0.599 120.097 119.800 -0.504 0.000 2.124 249 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 249 Q C 2.422 178.060 176.000 -0.602 0.000 0.977 249 Q CA 1.789 57.234 55.803 -0.598 0.000 0.850 249 Q CB -0.604 27.831 28.738 -0.506 0.000 0.901 249 Q HN 0.409 nan 8.270 nan 0.000 0.429 250 L N 0.857 121.657 121.223 -0.705 0.000 2.017 250 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 250 L C 2.317 179.092 176.870 -0.159 0.000 1.073 250 L CA 1.248 55.909 54.840 -0.297 0.000 0.745 250 L CB -0.219 41.790 42.059 -0.083 0.000 0.894 250 L HN 0.224 nan 8.230 nan 0.000 0.432 251 V N -2.989 116.786 119.914 -0.233 0.000 2.667 251 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 251 V C 2.470 178.369 176.094 -0.324 0.000 1.065 251 V CA 1.808 63.988 62.300 -0.201 0.000 1.083 251 V CB -0.890 30.844 31.823 -0.148 0.000 0.692 251 V HN 0.467 nan 8.190 nan 0.000 0.468 252 K N 0.670 120.726 120.400 -0.573 0.000 2.026 252 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 252 K C 2.180 178.622 176.600 -0.264 0.000 1.048 252 K CA 2.080 58.032 56.287 -0.558 0.000 0.929 252 K CB -0.186 31.854 32.500 -0.767 0.000 0.713 252 K HN 0.680 nan 8.250 nan 0.000 0.439 253 E N 0.401 120.490 120.200 -0.185 0.000 2.347 253 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 253 E C 1.949 178.520 176.600 -0.049 0.000 1.008 253 E CA 0.410 56.765 56.400 -0.075 0.000 0.852 253 E CB 0.133 29.835 29.700 0.004 0.000 0.783 253 E HN 0.334 nan 8.360 nan 0.000 0.505 254 L N 0.787 121.974 121.223 -0.060 0.000 2.049 254 L HA -0.092 4.248 4.340 -0.000 0.000 0.203 254 L C 2.618 179.467 176.870 -0.035 0.000 1.074 254 L CA 0.781 55.605 54.840 -0.026 0.000 0.749 254 L CB -0.328 41.723 42.059 -0.013 0.000 0.907 254 L HN 0.009 nan 8.230 nan 0.000 0.439 255 K N 0.390 120.752 120.400 -0.063 0.000 2.020 255 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 255 K C 2.059 178.634 176.600 -0.041 0.000 1.050 255 K CA 1.857 58.114 56.287 -0.050 0.000 0.929 255 K CB -0.171 32.285 32.500 -0.074 0.000 0.714 255 K HN 0.398 nan 8.250 nan 0.000 0.443 256 Q N -0.789 118.977 119.800 -0.056 0.000 2.050 256 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 256 Q C 1.878 177.862 176.000 -0.027 0.000 0.980 256 Q CA 1.660 57.439 55.803 -0.041 0.000 0.840 256 Q CB -0.110 28.597 28.738 -0.052 0.000 0.898 256 Q HN 0.352 nan 8.270 nan 0.000 0.424 257 A N -0.377 122.429 122.820 -0.023 0.000 2.208 257 A HA 0.081 4.401 4.320 -0.000 0.000 0.209 257 A C 1.470 179.054 177.584 0.001 0.000 1.161 257 A CA 0.579 52.610 52.037 -0.011 0.000 0.782 257 A CB 0.181 19.177 19.000 -0.006 0.000 0.816 257 A HN 0.283 nan 8.150 nan 0.000 0.477 258 L N -2.821 118.401 121.223 -0.002 0.000 3.174 258 L HA 0.273 4.613 4.340 -0.000 0.000 0.283 258 L C 1.453 178.325 176.870 0.002 0.000 1.187 258 L CA 0.374 55.217 54.840 0.005 0.000 1.018 258 L CB 0.314 42.379 42.059 0.009 0.000 1.433 258 L HN 0.430 nan 8.230 nan 0.000 0.593 259 G N 1.914 110.713 108.800 -0.003 0.000 2.203 259 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 259 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 259 G C 0.115 175.018 174.900 0.005 0.000 1.012 259 G CA 0.567 45.667 45.100 -0.000 0.000 0.749 259 G HN 0.335 nan 8.290 nan 0.000 0.512 260 I N 0.020 120.593 120.570 0.006 0.000 2.569 260 I HA 0.326 4.496 4.170 -0.000 0.000 0.296 260 I C -2.258 173.866 176.117 0.013 0.000 1.028 260 I CA -2.774 58.534 61.300 0.013 0.000 1.082 260 I CB 2.305 40.316 38.000 0.018 0.000 1.264 260 I HN -0.213 nan 8.210 nan 0.000 0.429 261 P HA 0.077 nan 4.420 nan 0.000 0.265 261 P C -0.898 176.420 177.300 0.030 0.000 1.193 261 P CA 0.152 63.266 63.100 0.023 0.000 0.765 261 P CB 0.632 32.352 31.700 0.033 0.000 0.823 262 A N 2.492 125.325 122.820 0.023 0.000 2.387 262 A HA 0.928 5.248 4.320 -0.000 0.000 0.303 262 A C -0.964 176.658 177.584 0.063 0.000 1.145 262 A CA -0.393 51.664 52.037 0.034 0.000 0.801 262 A CB 1.662 20.662 19.000 0.001 0.000 1.342 262 A HN 0.541 nan 8.150 nan 0.000 0.440 263 A N -0.872 122.009 122.820 0.102 0.000 2.612 263 A HA 0.916 5.236 4.320 -0.000 0.000 0.293 263 A C -0.641 177.061 177.584 0.196 0.000 1.075 263 A CA 0.084 52.220 52.037 0.166 0.000 0.680 263 A CB 1.024 20.184 19.000 0.268 0.000 1.279 263 A HN 2.589 nan 8.150 nan 0.000 0.411 264 A N -0.094 122.875 122.820 0.247 0.000 2.539 264 A HA 0.858 5.178 4.320 -0.000 0.000 0.296 264 A C -0.490 177.306 177.584 0.354 0.000 1.073 264 A CA 0.093 52.300 52.037 0.283 0.000 0.700 264 A CB 1.564 20.761 19.000 0.329 0.000 1.296 264 A HN 1.944 nan 8.150 nan 0.000 0.405 265 S N 1.081 116.963 115.700 0.304 0.000 2.622 265 S HA 0.637 5.107 4.470 -0.000 0.000 0.283 265 S C -1.284 173.458 174.600 0.236 0.000 1.197 265 S CA -0.308 58.073 58.200 0.301 0.000 1.146 265 S CB -0.608 62.737 63.200 0.243 0.000 1.007 265 S HN 0.420 nan 8.310 nan 0.000 0.478 266 F N 3.227 123.288 119.950 0.186 0.000 2.375 266 F HA 0.670 5.197 4.527 -0.000 0.000 0.333 266 F C 0.467 176.366 175.800 0.164 0.000 1.104 266 F CA -0.277 57.826 58.000 0.172 0.000 1.149 266 F CB 1.342 40.441 39.000 0.165 0.000 1.190 266 F HN 0.419 nan 8.300 nan 0.000 0.533 267 K N 1.936 122.475 120.400 0.231 0.000 2.651 267 K HA 0.290 4.610 4.320 -0.000 0.000 0.259 267 K C -0.875 175.865 176.600 0.233 0.000 1.017 267 K CA -0.422 55.963 56.287 0.164 0.000 0.897 267 K CB 0.037 32.610 32.500 0.122 0.000 1.262 267 K HN 0.570 nan 8.250 nan 0.000 0.460 268 H N 3.231 122.430 119.070 0.214 0.000 2.880 268 H HA -0.138 4.418 4.556 -0.000 0.000 0.304 268 H C 0.109 175.576 175.328 0.232 0.000 1.259 268 H CA 1.038 57.201 56.048 0.192 0.000 1.153 268 H CB -1.556 28.294 29.762 0.147 0.000 1.395 268 H HN 0.679 nan 8.280 nan 0.000 0.420 269 V N -2.370 117.808 119.914 0.440 0.000 2.070 269 V HA -0.335 3.785 4.120 -0.000 0.000 0.100 269 V C 0.818 177.271 176.094 0.599 0.000 0.533 269 V CA 1.845 64.446 62.300 0.502 0.000 1.406 269 V CB -1.600 30.428 31.823 0.341 0.000 1.610 269 V HN 0.554 nan 8.190 nan 0.000 0.921 270 S N 0.997 116.896 115.700 0.332 0.000 2.521 270 S HA 0.622 5.092 4.470 -0.000 0.000 0.295 270 S C -2.481 171.793 174.600 -0.542 0.000 1.098 270 S CA -0.923 57.297 58.200 0.034 0.000 0.999 270 S CB 2.858 66.110 63.200 0.086 0.000 1.034 270 S HN 0.339 nan 8.310 nan 0.000 0.483 271 P HA 0.194 nan 4.420 nan 0.000 0.271 271 P C -0.150 176.936 177.300 -0.357 0.000 1.216 271 P CA -0.113 62.361 63.100 -1.043 0.000 0.771 271 P CB 1.128 32.414 31.700 -0.690 0.000 0.864 272 A N 3.559 126.252 122.820 -0.212 0.000 1.956 272 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 272 A C 1.106 178.683 177.584 -0.012 0.000 1.188 272 A CA 1.287 53.298 52.037 -0.043 0.000 0.675 272 A CB -0.485 18.535 19.000 0.033 0.000 0.845 272 A HN 0.658 nan 8.150 nan 0.000 0.455 273 G N -2.577 106.218 108.800 -0.009 0.000 2.692 273 G HA2 0.702 4.662 3.960 -0.000 0.000 0.291 273 G HA3 0.702 4.662 3.960 -0.000 0.000 0.291 273 G C -1.191 173.732 174.900 0.039 0.000 1.423 273 G CA 0.070 45.180 45.100 0.018 0.000 0.843 273 G HN 1.276 nan 8.290 nan 0.000 0.486 274 A N -1.155 121.691 122.820 0.043 0.000 2.599 274 A HA 1.107 5.427 4.320 -0.000 0.000 0.294 274 A C -0.442 177.174 177.584 0.054 0.000 1.055 274 A CA 0.381 52.463 52.037 0.075 0.000 0.683 274 A CB 1.124 20.171 19.000 0.078 0.000 1.278 274 A HN 2.695 nan 8.150 nan 0.000 0.412 275 A N -0.503 122.358 122.820 0.069 0.000 2.456 275 A HA 0.825 5.145 4.320 -0.000 0.000 0.294 275 A C -0.985 176.632 177.584 0.056 0.000 1.057 275 A CA 0.109 52.176 52.037 0.051 0.000 0.623 275 A CB -0.077 18.949 19.000 0.043 0.000 1.338 275 A HN 2.361 nan 8.150 nan 0.000 0.464 276 V N -2.044 117.897 119.914 0.045 0.000 2.960 276 V HA 0.849 4.969 4.120 -0.000 0.000 0.315 276 V C 0.807 176.931 176.094 0.050 0.000 1.087 276 V CA -0.173 62.153 62.300 0.043 0.000 0.982 276 V CB 1.490 33.331 31.823 0.030 0.000 1.039 276 V HN 2.059 nan 8.190 nan 0.000 0.437 277 G N 2.956 111.787 108.800 0.051 0.000 3.084 277 G HA2 0.223 4.183 3.960 -0.000 0.000 0.254 277 G HA3 0.223 4.183 3.960 -0.000 0.000 0.254 277 G C 0.200 175.132 174.900 0.053 0.000 0.834 277 G CA -0.180 44.953 45.100 0.056 0.000 1.999 277 G HN 0.511 nan 8.290 nan 0.000 0.611 278 I N 2.864 123.466 120.570 0.054 0.000 2.421 278 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 278 I C -1.604 174.555 176.117 0.070 0.000 1.089 278 I CA -3.239 58.096 61.300 0.058 0.000 1.354 278 I CB 0.300 38.334 38.000 0.057 0.000 1.413 278 I HN 0.188 nan 8.210 nan 0.000 0.513 279 P HA -0.042 nan 4.420 nan 0.000 0.263 279 P C -0.690 176.673 177.300 0.105 0.000 1.168 279 P CA -0.042 63.114 63.100 0.094 0.000 0.759 279 P CB 0.582 32.344 31.700 0.104 0.000 0.782 280 L N 2.497 123.772 121.223 0.088 0.000 2.379 280 L HA 0.310 4.650 4.340 -0.000 0.000 0.269 280 L C 1.375 178.335 176.870 0.150 0.000 1.084 280 L CA -0.110 54.775 54.840 0.074 0.000 0.802 280 L CB 0.576 42.616 42.059 -0.033 0.000 1.175 280 L HN 0.431 nan 8.230 nan 0.000 0.448 281 S N -0.246 115.553 115.700 0.165 0.000 2.624 281 S HA 0.180 4.650 4.470 -0.000 0.000 0.263 281 S C 0.952 175.739 174.600 0.310 0.000 1.287 281 S CA -0.328 58.008 58.200 0.228 0.000 0.990 281 S CB 0.752 64.054 63.200 0.170 0.000 0.950 281 S HN 0.646 nan 8.310 nan 0.000 0.561 282 E N 0.630 121.062 120.200 0.386 0.000 2.077 282 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 282 E C 1.912 178.537 176.600 0.042 0.000 0.989 282 E CA 1.630 58.248 56.400 0.363 0.000 0.800 282 E CB -0.161 29.645 29.700 0.177 0.000 0.746 282 E HN 0.708 nan 8.360 nan 0.000 0.452 283 E N 0.274 120.483 120.200 0.015 0.000 2.058 283 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 283 E C 2.073 178.617 176.600 -0.094 0.000 0.997 283 E CA 1.336 57.699 56.400 -0.061 0.000 0.801 283 E CB -0.200 29.512 29.700 0.019 0.000 0.746 283 E HN 0.235 nan 8.360 nan 0.000 0.450 284 E N 1.181 121.379 120.200 -0.003 0.000 2.038 284 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 284 E C 1.962 178.523 176.600 -0.065 0.000 1.000 284 E CA 1.561 57.964 56.400 0.005 0.000 0.803 284 E CB -0.470 29.295 29.700 0.108 0.000 0.750 284 E HN 0.215 nan 8.360 nan 0.000 0.448 285 A N 0.445 123.200 122.820 -0.107 0.000 2.042 285 A HA -0.302 4.018 4.320 -0.000 0.000 0.222 285 A C 2.066 179.613 177.584 -0.062 0.000 1.167 285 A CA 2.008 53.959 52.037 -0.144 0.000 0.649 285 A CB -0.550 18.280 19.000 -0.284 0.000 0.809 285 A HN 0.409 nan 8.150 nan 0.000 0.457 286 Q N -0.784 118.946 119.800 -0.117 0.000 2.033 286 Q HA -0.047 4.293 4.340 -0.000 0.000 0.196 286 Q C 1.971 177.909 176.000 -0.104 0.000 0.970 286 Q CA 1.346 57.083 55.803 -0.110 0.000 0.828 286 Q CB -0.381 28.238 28.738 -0.199 0.000 0.895 286 Q HN 0.461 nan 8.270 nan 0.000 0.440 287 V N 0.555 120.361 119.914 -0.180 0.000 2.944 287 V HA -0.237 3.883 4.120 -0.000 0.000 0.265 287 V C 1.518 177.573 176.094 -0.066 0.000 1.125 287 V CA 1.069 63.247 62.300 -0.204 0.000 1.145 287 V CB -0.485 31.070 31.823 -0.448 0.000 0.725 287 V HN 0.451 nan 8.190 nan 0.000 0.510 288 C N 0.201 119.476 119.300 -0.041 0.000 2.881 288 C HA 0.382 4.842 4.460 -0.000 0.000 0.290 288 C C 1.113 176.092 174.990 -0.018 0.000 1.362 288 C CA -0.810 58.201 59.018 -0.011 0.000 1.757 288 C CB -0.811 26.923 27.740 -0.010 0.000 2.265 288 C HN 0.639 nan 8.230 nan 0.000 0.600 289 M N 0.434 120.025 119.600 -0.015 0.000 2.212 289 M HA -0.149 4.331 4.480 -0.000 0.000 0.193 289 M C 0.440 176.744 176.300 0.007 0.000 0.493 289 M CA 0.830 56.127 55.300 -0.007 0.000 0.427 289 M CB -2.290 30.299 32.600 -0.019 0.000 1.120 289 M HN 0.478 nan 8.290 nan 0.000 0.929 290 V N -5.406 114.523 119.914 0.026 0.000 3.686 290 V HA 0.116 4.236 4.120 -0.000 0.000 0.299 290 V C 1.577 177.719 176.094 0.081 0.000 1.607 290 V CA 0.649 62.968 62.300 0.030 0.000 1.172 290 V CB -0.204 31.617 31.823 -0.003 0.000 0.972 290 V HN 0.539 nan 8.190 nan 0.000 0.442 291 H N 4.187 123.251 119.070 -0.011 0.000 2.444 291 H HA -0.226 4.330 4.556 -0.000 0.000 0.294 291 H C 1.761 177.135 175.328 0.076 0.000 1.125 291 H CA 2.607 58.678 56.048 0.037 0.000 1.230 291 H CB -0.119 29.665 29.762 0.036 0.000 1.361 291 H HN 0.748 nan 8.280 nan 0.000 0.508 292 D N -0.522 119.874 120.400 -0.007 0.000 2.347 292 D HA -0.089 4.551 4.640 -0.000 0.000 0.215 292 D C 1.484 177.778 176.300 -0.010 0.000 0.976 292 D CA 0.534 54.489 54.000 -0.075 0.000 0.884 292 D CB -0.159 40.611 40.800 -0.051 0.000 0.915 292 D HN 0.475 nan 8.370 nan 0.000 0.526 293 L N -0.741 120.508 121.223 0.043 0.000 2.906 293 L HA 0.209 4.549 4.340 -0.000 0.000 0.255 293 L C 1.889 178.830 176.870 0.117 0.000 1.166 293 L CA -0.367 54.508 54.840 0.058 0.000 0.977 293 L CB -0.136 41.950 42.059 0.045 0.000 1.313 293 L HN -0.014 nan 8.230 nan 0.000 0.549 294 H N 1.742 120.835 119.070 0.039 0.000 2.292 294 H HA -0.234 4.322 4.556 -0.000 0.000 0.292 294 H C 1.258 176.615 175.328 0.049 0.000 1.100 294 H CA 1.734 57.822 56.048 0.066 0.000 1.238 294 H CB 0.382 30.209 29.762 0.110 0.000 1.355 294 H HN 0.154 nan 8.280 nan 0.000 0.484 295 K N -0.013 120.504 120.400 0.194 0.000 2.589 295 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 295 K C 0.609 177.255 176.600 0.076 0.000 1.029 295 K CA 0.889 57.229 56.287 0.088 0.000 1.177 295 K CB 0.494 33.003 32.500 0.014 0.000 0.902 295 K HN 0.474 nan 8.250 nan 0.000 0.501 296 T N -3.852 110.758 114.554 0.093 0.000 3.131 296 T HA 0.207 4.557 4.350 -0.000 0.000 0.283 296 T C 0.323 175.065 174.700 0.071 0.000 0.906 296 T CA -0.541 61.599 62.100 0.065 0.000 0.882 296 T CB 0.019 68.916 68.868 0.049 0.000 1.208 296 T HN -0.052 nan 8.240 nan 0.000 0.561 297 L N 4.408 125.686 121.223 0.092 0.000 2.562 297 L HA 0.310 4.650 4.340 -0.000 0.000 0.271 297 L C 1.142 178.058 176.870 0.077 0.000 1.167 297 L CA -0.220 54.669 54.840 0.081 0.000 0.917 297 L CB 0.286 42.393 42.059 0.079 0.000 1.187 297 L HN 0.388 nan 8.230 nan 0.000 0.482 298 T N 0.683 115.276 114.554 0.065 0.000 2.816 298 T HA 0.248 4.598 4.350 -0.000 0.000 0.282 298 T C -1.383 173.354 174.700 0.061 0.000 0.993 298 T CA -1.678 60.458 62.100 0.058 0.000 0.994 298 T CB 1.189 70.087 68.868 0.049 0.000 1.025 298 T HN 0.421 nan 8.240 nan 0.000 0.529 299 P HA -0.130 nan 4.420 nan 0.000 0.216 299 P C 1.661 178.998 177.300 0.061 0.000 1.150 299 P CA 0.684 63.817 63.100 0.055 0.000 0.837 299 P CB 0.028 31.755 31.700 0.045 0.000 0.786 300 L N 0.135 121.394 121.223 0.059 0.000 2.044 300 L HA 0.031 4.371 4.340 -0.000 0.000 0.205 300 L C 2.591 179.524 176.870 0.106 0.000 1.075 300 L CA 1.974 56.856 54.840 0.070 0.000 0.747 300 L CB -1.646 40.442 42.059 0.049 0.000 0.903 300 L HN -0.091 nan 8.230 nan 0.000 0.435 301 A N -1.062 121.818 122.820 0.099 0.000 1.883 301 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 301 A C 2.383 180.039 177.584 0.120 0.000 1.186 301 A CA 2.232 54.346 52.037 0.128 0.000 0.624 301 A CB -1.161 17.896 19.000 0.095 0.000 0.822 301 A HN 0.543 nan 8.150 nan 0.000 0.444 302 S N -0.176 115.573 115.700 0.082 0.000 2.370 302 S HA -0.105 4.365 4.470 -0.000 0.000 0.226 302 S C 2.261 176.900 174.600 0.064 0.000 1.033 302 S CA 1.312 59.547 58.200 0.058 0.000 1.011 302 S CB -0.505 62.729 63.200 0.056 0.000 0.852 302 S HN 0.831 nan 8.310 nan 0.000 0.457 303 A N 0.223 123.096 122.820 0.088 0.000 1.933 303 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 303 A C 1.975 179.635 177.584 0.126 0.000 1.175 303 A CA 1.432 53.526 52.037 0.095 0.000 0.628 303 A CB -0.753 18.305 19.000 0.097 0.000 0.814 303 A HN 0.583 nan 8.150 nan 0.000 0.444 304 Y N 0.516 120.845 120.300 0.049 0.000 2.337 304 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 304 Y C 2.536 178.472 175.900 0.060 0.000 1.123 304 Y CA 0.482 58.616 58.100 0.055 0.000 1.201 304 Y CB -0.675 37.814 38.460 0.049 0.000 1.011 304 Y HN 0.300 nan 8.280 nan 0.000 0.545 305 A N 0.929 123.623 122.820 -0.210 0.000 1.865 305 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 305 A C 2.373 179.845 177.584 -0.187 0.000 1.191 305 A CA 2.033 53.922 52.037 -0.245 0.000 0.623 305 A CB -0.638 18.313 19.000 -0.082 0.000 0.826 305 A HN 0.508 nan 8.150 nan 0.000 0.444 306 R N -0.640 119.822 120.500 -0.064 0.000 2.096 306 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 306 R C 2.408 178.697 176.300 -0.018 0.000 1.127 306 R CA 1.304 57.413 56.100 0.015 0.000 0.968 306 R CB -0.494 29.838 30.300 0.054 0.000 0.861 306 R HN 0.513 nan 8.270 nan 0.000 0.440 307 S N 0.186 115.850 115.700 -0.059 0.000 2.571 307 S HA -0.119 4.351 4.470 -0.000 0.000 0.245 307 S C 1.660 176.235 174.600 -0.043 0.000 0.976 307 S CA 1.104 59.300 58.200 -0.006 0.000 0.954 307 S CB -0.002 63.277 63.200 0.131 0.000 0.756 307 S HN 0.283 nan 8.310 nan 0.000 0.535 308 R N -1.393 119.025 120.500 -0.137 0.000 2.507 308 R HA 0.191 4.531 4.340 -0.000 0.000 0.230 308 R C 2.035 178.347 176.300 0.020 0.000 0.897 308 R CA 0.658 56.715 56.100 -0.072 0.000 1.006 308 R CB -0.426 29.753 30.300 -0.201 0.000 1.341 308 R HN 0.364 nan 8.270 nan 0.000 0.604 309 G N 0.132 108.959 108.800 0.045 0.000 2.598 309 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 309 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 309 G C 1.289 176.367 174.900 0.297 0.000 1.131 309 G CA 0.638 45.834 45.100 0.160 0.000 0.785 309 G HN 0.330 nan 8.290 nan 0.000 0.539 310 A N 0.008 122.951 122.820 0.205 0.000 2.019 310 A HA 0.140 4.460 4.320 -0.000 0.000 0.219 310 A C 1.109 178.815 177.584 0.203 0.000 1.164 310 A CA 1.660 53.798 52.037 0.168 0.000 0.644 310 A CB 0.026 19.037 19.000 0.019 0.000 0.805 310 A HN 0.351 nan 8.150 nan 0.000 0.449 311 D N -2.555 117.947 120.400 0.170 0.000 2.914 311 D HA 0.118 4.758 4.640 -0.000 0.000 0.236 311 D C 0.764 177.146 176.300 0.136 0.000 1.405 311 D CA -0.427 53.666 54.000 0.155 0.000 0.900 311 D CB -0.016 40.858 40.800 0.123 0.000 1.518 311 D HN 0.025 nan 8.370 nan 0.000 0.548 312 R N 1.427 122.008 120.500 0.135 0.000 2.185 312 R HA -0.146 4.194 4.340 -0.000 0.000 0.247 312 R C 1.597 177.983 176.300 0.143 0.000 1.159 312 R CA 1.021 57.194 56.100 0.123 0.000 0.988 312 R CB -0.270 30.090 30.300 0.100 0.000 0.871 312 R HN 0.503 nan 8.270 nan 0.000 0.458 313 M N -0.083 119.594 119.600 0.128 0.000 2.077 313 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 313 M C 2.212 178.611 176.300 0.164 0.000 1.070 313 M CA 1.522 56.893 55.300 0.118 0.000 1.125 313 M CB -0.994 31.659 32.600 0.088 0.000 1.339 313 M HN -0.035 nan 8.290 nan 0.000 0.409 314 S N 0.626 116.416 115.700 0.149 0.000 2.402 314 S HA -0.051 4.419 4.470 -0.000 0.000 0.229 314 S C 2.010 176.719 174.600 0.181 0.000 1.021 314 S CA 1.055 59.350 58.200 0.159 0.000 0.974 314 S CB -0.192 63.083 63.200 0.124 0.000 0.800 314 S HN 0.426 nan 8.310 nan 0.000 0.484 315 S N 0.975 116.780 115.700 0.174 0.000 2.547 315 S HA 0.083 4.553 4.470 -0.000 0.000 0.235 315 S C 0.438 175.152 174.600 0.190 0.000 0.980 315 S CA -0.040 58.261 58.200 0.169 0.000 0.941 315 S CB -0.365 62.922 63.200 0.146 0.000 0.763 315 S HN 0.549 nan 8.310 nan 0.000 0.532 316 F N 3.020 123.017 119.950 0.079 0.000 2.484 316 F HA 0.371 4.898 4.527 -0.000 0.000 0.355 316 F C 1.152 176.996 175.800 0.074 0.000 1.170 316 F CA 0.277 58.319 58.000 0.071 0.000 1.025 316 F CB -0.832 38.205 39.000 0.061 0.000 1.107 316 F HN 0.183 nan 8.300 nan 0.000 0.589 317 G N 3.907 112.530 108.800 -0.295 0.000 2.164 317 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.212 317 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.212 317 G C -0.504 174.375 174.900 -0.035 0.000 1.031 317 G CA -0.166 44.788 45.100 -0.243 0.000 0.730 317 G HN 0.934 nan 8.290 nan 0.000 0.501 318 D N -0.404 120.020 120.400 0.039 0.000 2.339 318 D HA 0.486 5.126 4.640 -0.000 0.000 0.245 318 D C -0.179 176.188 176.300 0.111 0.000 1.115 318 D CA -0.887 53.188 54.000 0.125 0.000 0.917 318 D CB 1.194 42.099 40.800 0.175 0.000 1.192 318 D HN 0.058 nan 8.370 nan 0.000 0.428 319 F N 1.349 121.373 119.950 0.123 0.000 2.391 319 F HA 0.364 4.891 4.527 -0.000 0.000 0.359 319 F C -0.036 175.843 175.800 0.132 0.000 1.122 319 F CA -1.005 57.045 58.000 0.084 0.000 1.120 319 F CB 0.405 39.432 39.000 0.045 0.000 1.142 319 F HN 0.229 nan 8.300 nan 0.000 0.483 320 I N 5.299 125.788 120.570 -0.135 0.000 2.581 320 I HA 0.520 4.690 4.170 -0.000 0.000 0.288 320 I C 0.007 176.212 176.117 0.146 0.000 1.047 320 I CA -0.535 60.772 61.300 0.011 0.000 1.374 320 I CB 1.093 38.960 38.000 -0.222 0.000 1.423 320 I HN 0.686 nan 8.210 nan 0.000 0.549 321 A N 7.136 130.064 122.820 0.179 0.000 2.449 321 A HA 0.881 5.201 4.320 -0.000 0.000 0.302 321 A C -1.071 176.601 177.584 0.148 0.000 1.048 321 A CA -0.498 51.670 52.037 0.220 0.000 0.708 321 A CB 1.301 20.445 19.000 0.240 0.000 1.274 321 A HN 0.646 nan 8.150 nan 0.000 0.410 322 L N 2.331 123.652 121.223 0.162 0.000 2.439 322 L HA 0.323 4.663 4.340 -0.000 0.000 0.270 322 L C 1.400 178.365 176.870 0.158 0.000 0.972 322 L CA -0.494 54.403 54.840 0.096 0.000 0.836 322 L CB 2.190 44.245 42.059 -0.007 0.000 1.255 322 L HN 0.941 nan 8.230 nan 0.000 0.404 323 S N 0.379 116.112 115.700 0.054 0.000 2.370 323 S HA -0.047 4.423 4.470 -0.000 0.000 0.226 323 S C 0.505 175.151 174.600 0.077 0.000 1.033 323 S CA 0.734 58.925 58.200 -0.015 0.000 1.011 323 S CB -0.098 63.055 63.200 -0.079 0.000 0.852 323 S HN 0.636 nan 8.310 nan 0.000 0.457 324 D N 0.571 121.000 120.400 0.047 0.000 2.494 324 D HA 0.465 5.105 4.640 -0.000 0.000 0.259 324 D C 0.017 176.306 176.300 -0.018 0.000 1.109 324 D CA -0.791 53.227 54.000 0.031 0.000 1.040 324 D CB 0.862 41.672 40.800 0.017 0.000 1.175 324 D HN 0.186 nan 8.370 nan 0.000 0.584 325 I N 0.904 121.452 120.570 -0.037 0.000 2.618 325 I HA -0.035 4.135 4.170 -0.000 0.000 0.284 325 I C 0.946 176.992 176.117 -0.119 0.000 1.146 325 I CA -0.240 60.999 61.300 -0.102 0.000 1.425 325 I CB 0.465 38.435 38.000 -0.049 0.000 1.383 325 I HN 0.185 nan 8.210 nan 0.000 0.562 326 C N 7.751 126.909 119.300 -0.237 0.000 2.662 326 C HA 0.042 4.502 4.460 -0.000 0.000 0.402 326 C C 0.614 175.581 174.990 -0.039 0.000 1.397 326 C CA -0.554 58.367 59.018 -0.162 0.000 1.575 326 C CB -1.622 25.961 27.740 -0.262 0.000 2.406 326 C HN 0.872 nan 8.230 nan 0.000 0.609 327 D N 4.097 124.491 120.400 -0.009 0.000 2.469 327 D HA 0.216 4.856 4.640 -0.000 0.000 0.278 327 D C 0.970 177.289 176.300 0.031 0.000 1.231 327 D CA -0.555 53.455 54.000 0.018 0.000 1.075 327 D CB 0.252 41.066 40.800 0.022 0.000 1.121 327 D HN 0.243 nan 8.370 nan 0.000 0.571 328 V N -0.260 119.674 119.914 0.033 0.000 2.346 328 V HA -0.021 4.099 4.120 -0.000 0.000 0.244 328 V C -0.863 175.253 176.094 0.035 0.000 1.037 328 V CA 1.405 63.725 62.300 0.033 0.000 1.029 328 V CB -1.689 30.151 31.823 0.028 0.000 0.663 328 V HN 0.578 nan 8.190 nan 0.000 0.454 329 P HA -0.174 nan 4.420 nan 0.000 0.215 329 P C 1.727 179.067 177.300 0.066 0.000 1.157 329 P CA 1.845 64.974 63.100 0.049 0.000 0.868 329 P CB -0.226 31.506 31.700 0.053 0.000 0.788 330 T N 0.328 114.924 114.554 0.070 0.000 2.635 330 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 330 T C 2.055 176.791 174.700 0.061 0.000 1.040 330 T CA 2.219 64.374 62.100 0.091 0.000 1.156 330 T CB -1.001 67.897 68.868 0.050 0.000 0.863 330 T HN 0.116 nan 8.240 nan 0.000 0.430 331 A N 1.629 124.469 122.820 0.034 0.000 1.873 331 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 331 A C 2.235 179.825 177.584 0.010 0.000 1.193 331 A CA 2.059 54.107 52.037 0.019 0.000 0.629 331 A CB -0.590 18.429 19.000 0.033 0.000 0.826 331 A HN 0.509 nan 8.150 nan 0.000 0.447 332 K N -0.667 119.746 120.400 0.021 0.000 2.152 332 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 332 K C 1.809 178.424 176.600 0.026 0.000 1.048 332 K CA 1.505 57.800 56.287 0.013 0.000 0.933 332 K CB -0.360 32.151 32.500 0.018 0.000 0.721 332 K HN 0.577 nan 8.250 nan 0.000 0.447 333 I N 0.696 121.305 120.570 0.066 0.000 2.252 333 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 333 I C 2.169 178.364 176.117 0.130 0.000 1.102 333 I CA 1.091 62.454 61.300 0.106 0.000 1.385 333 I CB -0.208 37.900 38.000 0.180 0.000 1.064 333 I HN 0.103 nan 8.210 nan 0.000 0.414 334 I N 0.629 121.270 120.570 0.118 0.000 2.076 334 I HA -0.361 3.809 4.170 -0.000 0.000 0.237 334 I C 2.867 178.950 176.117 -0.056 0.000 1.059 334 I CA 1.862 63.190 61.300 0.048 0.000 1.317 334 I CB -0.645 37.302 38.000 -0.088 0.000 1.037 334 I HN 0.328 nan 8.210 nan 0.000 0.398 335 S N 2.579 118.214 115.700 -0.109 0.000 2.401 335 S HA -0.368 4.102 4.470 -0.000 0.000 0.236 335 S C 2.123 176.655 174.600 -0.112 0.000 1.058 335 S CA 2.164 60.268 58.200 -0.161 0.000 1.151 335 S CB -1.167 61.966 63.200 -0.112 0.000 1.049 335 S HN 0.563 nan 8.310 nan 0.000 0.432 336 R N 1.677 122.145 120.500 -0.053 0.000 2.249 336 R HA 0.006 4.346 4.340 -0.000 0.000 0.230 336 R C 0.414 176.700 176.300 -0.023 0.000 1.121 336 R CA 1.175 57.254 56.100 -0.035 0.000 0.997 336 R CB -0.564 29.726 30.300 -0.016 0.000 0.867 336 R HN 0.425 nan 8.270 nan 0.000 0.465 337 E N 1.164 121.357 120.200 -0.011 0.000 2.385 337 E HA 0.232 4.582 4.350 -0.000 0.000 0.254 337 E C -0.518 176.067 176.600 -0.025 0.000 1.228 337 E CA -0.764 55.645 56.400 0.015 0.000 0.956 337 E CB 1.137 30.884 29.700 0.079 0.000 1.116 337 E HN -0.060 nan 8.360 nan 0.000 0.507 338 V N 1.482 121.389 119.914 -0.010 0.000 2.334 338 V HA 0.320 4.440 4.120 -0.000 0.000 0.281 338 V C 0.302 176.335 176.094 -0.102 0.000 1.016 338 V CA -0.273 61.972 62.300 -0.091 0.000 0.832 338 V CB 0.649 32.391 31.823 -0.135 0.000 0.999 338 V HN 0.747 nan 8.190 nan 0.000 0.439 339 S N 2.424 118.085 115.700 -0.065 0.000 3.132 339 S HA 0.662 5.132 4.470 -0.000 0.000 0.322 339 S C -0.232 174.400 174.600 0.052 0.000 1.124 339 S CA -0.411 57.795 58.200 0.009 0.000 0.906 339 S CB 2.336 65.589 63.200 0.087 0.000 1.349 339 S HN 0.488 nan 8.310 nan 0.000 0.686 340 D N -1.116 119.312 120.400 0.047 0.000 2.480 340 D HA 0.482 5.122 4.640 -0.000 0.000 0.276 340 D C -0.056 176.015 176.300 -0.381 0.000 1.294 340 D CA 0.886 54.861 54.000 -0.041 0.000 0.829 340 D CB 1.335 42.131 40.800 -0.007 0.000 1.242 340 D HN 1.038 nan 8.370 nan 0.000 0.513 341 G N -0.313 108.027 108.800 -0.766 0.000 2.350 341 G HA2 0.383 4.343 3.960 -0.000 0.000 0.305 341 G HA3 0.383 4.343 3.960 -0.000 0.000 0.305 341 G C -2.168 171.795 174.900 -1.562 0.000 1.479 341 G CA -0.173 44.056 45.100 -1.451 0.000 0.949 341 G HN 0.330 nan 8.290 nan 0.000 0.651 342 V N -0.568 118.703 119.914 -1.070 0.000 3.049 342 V HA 0.895 5.015 4.120 -0.000 0.000 0.309 342 V C -1.208 174.896 176.094 0.017 0.000 1.148 342 V CA -0.473 61.544 62.300 -0.472 0.000 0.990 342 V CB 2.007 33.777 31.823 -0.088 0.000 1.039 342 V HN 1.949 nan 8.190 nan 0.000 0.430 343 V N 5.177 125.225 119.914 0.224 0.000 2.686 343 V HA 1.017 5.137 4.120 -0.000 0.000 0.306 343 V C -0.283 175.872 176.094 0.101 0.000 1.065 343 V CA 0.499 62.932 62.300 0.222 0.000 0.894 343 V CB 1.437 33.389 31.823 0.215 0.000 1.004 343 V HN 1.818 nan 8.190 nan 0.000 0.424 344 A N 7.209 130.007 122.820 -0.036 0.000 2.593 344 A HA 0.920 5.240 4.320 -0.000 0.000 0.290 344 A C -2.595 174.853 177.584 -0.226 0.000 1.126 344 A CA -0.967 50.979 52.037 -0.152 0.000 0.695 344 A CB 1.875 20.585 19.000 -0.484 0.000 1.290 344 A HN 0.544 nan 8.150 nan 0.000 0.414 345 P HA 0.121 nan 4.420 nan 0.000 0.221 345 P C 0.734 177.990 177.300 -0.073 0.000 1.150 345 P CA 1.774 64.829 63.100 -0.074 0.000 0.800 345 P CB 0.372 32.146 31.700 0.125 0.000 0.787 346 G N -1.625 107.082 108.800 -0.155 0.000 2.489 346 G HA2 0.471 4.431 3.960 -0.000 0.000 0.291 346 G HA3 0.471 4.431 3.960 -0.000 0.000 0.291 346 G C -2.301 172.453 174.900 -0.242 0.000 1.487 346 G CA -0.596 44.472 45.100 -0.054 0.000 0.795 346 G HN -0.144 nan 8.290 nan 0.000 0.513 347 Y N 0.462 120.757 120.300 -0.007 0.000 2.391 347 Y HA 0.474 5.024 4.550 -0.000 0.000 0.341 347 Y C 0.581 176.481 175.900 0.000 0.000 0.965 347 Y CA -1.043 57.056 58.100 -0.003 0.000 1.067 347 Y CB 1.824 40.279 38.460 -0.009 0.000 1.199 347 Y HN 0.484 nan 8.280 nan 0.000 0.450 348 E N 2.226 122.501 120.200 0.125 0.000 2.398 348 E HA -0.031 4.319 4.350 -0.000 0.000 0.263 348 E C 0.754 177.409 176.600 0.093 0.000 1.046 348 E CA -0.104 56.344 56.400 0.081 0.000 0.908 348 E CB 1.184 30.916 29.700 0.052 0.000 0.963 348 E HN 0.863 nan 8.360 nan 0.000 0.431 349 E N 3.032 123.269 120.200 0.061 0.000 2.019 349 E HA -0.332 4.018 4.350 -0.000 0.000 0.208 349 E C 1.689 178.312 176.600 0.038 0.000 1.030 349 E CA 1.658 58.084 56.400 0.044 0.000 0.856 349 E CB 0.009 29.725 29.700 0.027 0.000 0.781 349 E HN 0.619 nan 8.360 nan 0.000 0.471 350 E N -0.108 120.110 120.200 0.031 0.000 2.171 350 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 350 E C 1.883 178.502 176.600 0.032 0.000 0.997 350 E CA 0.988 57.402 56.400 0.023 0.000 0.810 350 E CB -0.172 29.539 29.700 0.019 0.000 0.738 350 E HN 0.414 nan 8.360 nan 0.000 0.467 351 A N 1.205 124.058 122.820 0.055 0.000 1.865 351 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 351 A C 2.150 179.787 177.584 0.088 0.000 1.191 351 A CA 1.485 53.569 52.037 0.079 0.000 0.623 351 A CB -0.757 18.310 19.000 0.112 0.000 0.826 351 A HN 0.360 nan 8.150 nan 0.000 0.444 352 L N 0.064 121.342 121.223 0.091 0.000 2.012 352 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 352 L C 2.187 179.046 176.870 -0.018 0.000 1.073 352 L CA 2.345 57.192 54.840 0.011 0.000 0.748 352 L CB -0.842 41.196 42.059 -0.036 0.000 0.891 352 L HN 0.389 nan 8.230 nan 0.000 0.431 353 K N -0.296 120.101 120.400 -0.006 0.000 2.034 353 K HA -0.239 4.081 4.320 -0.000 0.000 0.214 353 K C 2.090 178.680 176.600 -0.017 0.000 1.051 353 K CA 2.354 58.633 56.287 -0.013 0.000 0.931 353 K CB -0.543 31.954 32.500 -0.006 0.000 0.715 353 K HN 0.420 nan 8.250 nan 0.000 0.446 354 I N 1.193 121.756 120.570 -0.011 0.000 2.194 354 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 354 I C 2.262 178.350 176.117 -0.048 0.000 1.093 354 I CA 1.385 62.670 61.300 -0.025 0.000 1.355 354 I CB -0.438 37.552 38.000 -0.016 0.000 1.046 354 I HN 0.144 nan 8.210 nan 0.000 0.413 355 L N -0.156 121.047 121.223 -0.032 0.000 2.201 355 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 355 L C 2.553 179.418 176.870 -0.008 0.000 1.105 355 L CA 0.899 55.715 54.840 -0.040 0.000 0.775 355 L CB -0.488 41.596 42.059 0.042 0.000 0.913 355 L HN 0.133 nan 8.230 nan 0.000 0.440 356 S N 0.238 115.927 115.700 -0.018 0.000 2.406 356 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 356 S C 1.734 176.328 174.600 -0.011 0.000 1.020 356 S CA 1.124 59.317 58.200 -0.011 0.000 0.965 356 S CB -0.115 63.065 63.200 -0.032 0.000 0.798 356 S HN 0.516 nan 8.310 nan 0.000 0.488 357 K N 1.721 122.104 120.400 -0.028 0.000 2.525 357 K HA 0.139 4.459 4.320 -0.000 0.000 0.192 357 K C 0.602 177.176 176.600 -0.044 0.000 1.029 357 K CA 0.351 56.620 56.287 -0.030 0.000 1.029 357 K CB 0.108 32.589 32.500 -0.032 0.000 0.814 357 K HN 0.083 nan 8.250 nan 0.000 0.503 358 K N 1.997 122.357 120.400 -0.067 0.000 2.118 358 K HA 0.076 4.396 4.320 -0.000 0.000 0.264 358 K C -0.481 176.096 176.600 -0.038 0.000 1.000 358 K CA -0.440 55.772 56.287 -0.125 0.000 0.929 358 K CB 0.593 32.886 32.500 -0.346 0.000 1.021 358 K HN 0.029 nan 8.250 nan 0.000 0.463 359 K N 2.741 123.113 120.400 -0.046 0.000 3.393 359 K HA -0.349 3.971 4.320 -0.000 0.000 0.272 359 K C -0.355 176.260 176.600 0.025 0.000 1.004 359 K CA 0.929 57.229 56.287 0.022 0.000 0.764 359 K CB -1.243 31.334 32.500 0.128 0.000 1.373 359 K HN 1.066 nan 8.250 nan 0.000 0.458 360 N N -2.107 116.595 118.700 0.003 0.000 2.292 360 N HA -0.284 4.456 4.740 -0.000 0.000 0.219 360 N C 0.648 176.160 175.510 0.004 0.000 1.011 360 N CA 3.261 56.313 53.050 0.004 0.000 2.776 360 N CB -1.055 37.439 38.487 0.012 0.000 0.819 360 N HN 0.806 nan 8.380 nan 0.000 0.457 361 G N -3.012 105.798 108.800 0.016 0.000 3.288 361 G HA2 0.125 4.085 3.960 -0.000 0.000 0.219 361 G HA3 0.125 4.085 3.960 -0.000 0.000 0.219 361 G C 0.472 175.390 174.900 0.030 0.000 0.944 361 G CA 0.395 45.505 45.100 0.016 0.000 0.854 361 G HN 0.756 nan 8.290 nan 0.000 0.632 362 G N 0.106 108.932 108.800 0.043 0.000 3.434 362 G HA2 0.364 4.324 3.960 -0.000 0.000 0.258 362 G HA3 0.364 4.324 3.960 -0.000 0.000 0.258 362 G C 0.343 175.273 174.900 0.050 0.000 1.128 362 G CA -0.426 44.694 45.100 0.033 0.000 0.792 362 G HN 0.425 nan 8.290 nan 0.000 0.539 363 Y N 0.940 121.206 120.300 -0.055 0.000 2.805 363 Y HA 0.106 4.656 4.550 -0.000 0.000 0.331 363 Y C 0.946 176.799 175.900 -0.077 0.000 1.241 363 Y CA -1.279 56.778 58.100 -0.072 0.000 1.546 363 Y CB 0.240 38.649 38.460 -0.086 0.000 1.248 363 Y HN 0.071 nan 8.280 nan 0.000 0.559 364 C N 8.306 127.277 119.300 -0.548 0.000 2.667 364 C HA 0.416 4.876 4.460 -0.000 0.000 0.392 364 C C -0.351 174.335 174.990 -0.506 0.000 1.332 364 C CA -0.624 58.150 59.018 -0.406 0.000 1.594 364 C CB -2.430 25.166 27.740 -0.241 0.000 2.345 364 C HN 0.589 nan 8.230 nan 0.000 0.594 365 V N 8.842 128.589 119.914 -0.278 0.000 2.357 365 V HA 0.455 4.575 4.120 -0.000 0.000 0.284 365 V C 0.107 176.114 176.094 -0.146 0.000 1.018 365 V CA -0.261 61.904 62.300 -0.224 0.000 0.841 365 V CB 1.329 32.997 31.823 -0.259 0.000 0.991 365 V HN 0.738 nan 8.190 nan 0.000 0.437 366 L N 4.425 125.642 121.223 -0.011 0.000 2.333 366 L HA 0.684 5.024 4.340 -0.000 0.000 0.269 366 L C -0.391 176.528 176.870 0.083 0.000 1.010 366 L CA -0.563 54.281 54.840 0.007 0.000 0.818 366 L CB 2.101 44.182 42.059 0.036 0.000 1.306 366 L HN 0.616 nan 8.230 nan 0.000 0.430 367 Q N 2.587 122.382 119.800 -0.008 0.000 2.321 367 Q HA 0.571 4.911 4.340 -0.000 0.000 0.270 367 Q C -1.354 174.523 176.000 -0.204 0.000 1.032 367 Q CA -0.756 55.052 55.803 0.008 0.000 0.784 367 Q CB 2.367 31.152 28.738 0.079 0.000 1.264 367 Q HN 0.578 nan 8.270 nan 0.000 0.448 368 M N 3.119 122.479 119.600 -0.401 0.000 2.436 368 M HA 0.360 4.840 4.480 -0.000 0.000 0.331 368 M C -1.384 174.642 176.300 -0.457 0.000 1.135 368 M CA -0.472 54.459 55.300 -0.615 0.000 0.987 368 M CB 1.726 33.545 32.600 -1.301 0.000 1.687 368 M HN 0.571 nan 8.290 nan 0.000 0.445 369 D N 5.437 125.669 120.400 -0.281 0.000 2.325 369 D HA 0.280 4.919 4.640 -0.000 0.000 0.251 369 D C -1.799 174.529 176.300 0.047 0.000 1.196 369 D CA -1.830 52.120 54.000 -0.084 0.000 0.866 369 D CB 1.208 42.000 40.800 -0.015 0.000 1.101 369 D HN 0.425 nan 8.370 nan 0.000 0.476 370 P HA -0.070 nan 4.420 nan 0.000 0.236 370 P C 0.013 177.463 177.300 0.249 0.000 1.172 370 P CA 0.766 64.074 63.100 0.347 0.000 0.759 370 P CB 0.245 32.118 31.700 0.289 0.000 0.843 371 N N -2.037 116.770 118.700 0.178 0.000 2.220 371 N HA 0.005 4.745 4.740 -0.000 0.000 0.195 371 N C 0.179 175.761 175.510 0.120 0.000 1.123 371 N CA -0.478 52.645 53.050 0.123 0.000 0.874 371 N CB -0.079 38.454 38.487 0.077 0.000 0.995 371 N HN 0.083 nan 8.380 nan 0.000 0.498 372 Y N 2.922 123.260 120.300 0.064 0.000 2.632 372 Y HA -0.010 4.539 4.550 -0.000 0.000 0.329 372 Y C -0.386 175.552 175.900 0.063 0.000 1.174 372 Y CA 0.143 58.270 58.100 0.044 0.000 1.469 372 Y CB 0.396 38.869 38.460 0.022 0.000 1.242 372 Y HN -0.047 nan 8.280 nan 0.000 0.540 373 E N 8.823 128.604 120.200 -0.699 0.000 2.199 373 E HA 0.277 4.627 4.350 -0.000 0.000 0.265 373 E C -2.560 173.557 176.600 -0.806 0.000 0.882 373 E CA -2.112 53.987 56.400 -0.502 0.000 0.759 373 E CB 1.441 30.999 29.700 -0.238 0.000 1.148 373 E HN 0.545 nan 8.360 nan 0.000 0.412 374 P HA 0.079 nan 4.420 nan 0.000 0.272 374 P C -0.307 176.910 177.300 -0.138 0.000 1.230 374 P CA -0.269 62.695 63.100 -0.227 0.000 0.788 374 P CB 1.016 32.753 31.700 0.061 0.000 0.949 375 D N 1.394 121.760 120.400 -0.056 0.000 2.399 375 D HA -0.019 4.621 4.640 -0.000 0.000 0.241 375 D C 1.141 177.429 176.300 -0.019 0.000 1.133 375 D CA 0.040 54.018 54.000 -0.036 0.000 0.890 375 D CB 0.578 41.375 40.800 -0.004 0.000 1.201 375 D HN 0.338 nan 8.370 nan 0.000 0.432 376 D N 0.501 120.888 120.400 -0.021 0.000 2.149 376 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 376 D C 0.341 176.642 176.300 0.002 0.000 0.990 376 D CA 1.097 55.090 54.000 -0.012 0.000 0.839 376 D CB 0.207 40.998 40.800 -0.015 0.000 0.948 376 D HN 0.354 nan 8.370 nan 0.000 0.460 377 N N 1.424 120.126 118.700 0.004 0.000 2.509 377 N HA 0.146 4.886 4.740 -0.000 0.000 0.287 377 N C -0.278 175.243 175.510 0.020 0.000 1.121 377 N CA -0.008 53.049 53.050 0.012 0.000 0.977 377 N CB 1.622 40.114 38.487 0.009 0.000 1.167 377 N HN 0.058 nan 8.380 nan 0.000 0.476 378 E N 1.829 122.044 120.200 0.026 0.000 2.199 378 E HA 0.524 4.874 4.350 -0.000 0.000 0.269 378 E C -0.519 176.099 176.600 0.030 0.000 0.899 378 E CA -0.502 55.917 56.400 0.032 0.000 0.772 378 E CB 2.125 31.851 29.700 0.045 0.000 1.155 378 E HN 0.420 nan 8.360 nan 0.000 0.408 379 I N 2.359 122.946 120.570 0.028 0.000 2.647 379 I HA 0.483 4.653 4.170 -0.000 0.000 0.295 379 I C -0.384 175.753 176.117 0.033 0.000 1.078 379 I CA -0.914 60.404 61.300 0.030 0.000 1.048 379 I CB 2.087 40.104 38.000 0.028 0.000 1.239 379 I HN 0.440 nan 8.210 nan 0.000 0.421 380 R N 1.945 122.469 120.500 0.039 0.000 2.740 380 R HA 0.741 5.081 4.340 -0.000 0.000 0.273 380 R C -1.630 174.699 176.300 0.048 0.000 0.998 380 R CA -0.754 55.373 56.100 0.046 0.000 0.900 380 R CB 1.825 32.155 30.300 0.049 0.000 1.223 380 R HN 0.404 nan 8.270 nan 0.000 0.466 381 T N 2.597 117.185 114.554 0.056 0.000 2.771 381 T HA 0.412 4.762 4.350 -0.000 0.000 0.281 381 T C -1.181 173.558 174.700 0.065 0.000 0.982 381 T CA -0.574 61.560 62.100 0.055 0.000 0.978 381 T CB 0.994 69.894 68.868 0.053 0.000 0.930 381 T HN 0.390 nan 8.240 nan 0.000 0.447 382 L N 5.290 126.558 121.223 0.074 0.000 2.427 382 L HA 0.447 4.787 4.340 -0.000 0.000 0.264 382 L C -0.662 176.318 176.870 0.183 0.000 0.989 382 L CA -0.681 54.219 54.840 0.101 0.000 0.865 382 L CB 0.093 42.194 42.059 0.071 0.000 1.209 382 L HN 0.745 nan 8.230 nan 0.000 0.430 383 Y N 5.190 125.494 120.300 0.006 0.000 3.477 383 Y HA -0.103 4.447 4.550 -0.000 0.000 0.216 383 Y C 1.228 177.133 175.900 0.008 0.000 1.296 383 Y CA 1.411 59.514 58.100 0.005 0.000 1.535 383 Y CB -1.036 37.424 38.460 0.001 0.000 1.482 383 Y HN 1.109 nan 8.280 nan 0.000 0.597 384 G N -1.002 107.775 108.800 -0.038 0.000 2.363 384 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.238 384 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.238 384 G C 0.385 175.271 174.900 -0.023 0.000 1.062 384 G CA 0.146 45.198 45.100 -0.080 0.000 0.629 384 G HN 0.667 nan 8.290 nan 0.000 0.514 385 L N 1.387 122.618 121.223 0.013 0.000 2.468 385 L HA 0.623 4.963 4.340 -0.000 0.000 0.254 385 L C 0.560 177.452 176.870 0.037 0.000 1.171 385 L CA -0.717 54.140 54.840 0.028 0.000 0.809 385 L CB 0.667 42.755 42.059 0.049 0.000 1.155 385 L HN 0.334 nan 8.230 nan 0.000 0.473 386 Q N 1.846 121.665 119.800 0.033 0.000 2.356 386 Q HA 0.594 4.934 4.340 -0.000 0.000 0.270 386 Q C -1.270 174.749 176.000 0.033 0.000 1.058 386 Q CA -0.568 55.256 55.803 0.034 0.000 0.802 386 Q CB 2.603 31.359 28.738 0.030 0.000 1.303 386 Q HN 0.506 nan 8.270 nan 0.000 0.444 387 L N 2.428 123.671 121.223 0.035 0.000 2.322 387 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 387 L C -0.226 176.663 176.870 0.032 0.000 1.014 387 L CA -0.467 54.392 54.840 0.032 0.000 0.815 387 L CB 1.857 43.936 42.059 0.034 0.000 1.247 387 L HN 0.524 nan 8.230 nan 0.000 0.421 388 M N 3.591 123.208 119.600 0.028 0.000 2.664 388 M HA 0.513 4.993 4.480 -0.000 0.000 0.314 388 M C -1.220 175.096 176.300 0.027 0.000 1.200 388 M CA -0.357 54.959 55.300 0.026 0.000 0.916 388 M CB 2.349 34.961 32.600 0.020 0.000 1.717 388 M HN 0.709 nan 8.290 nan 0.000 0.470 389 Q N 1.938 121.754 119.800 0.027 0.000 2.736 389 Q HA 0.318 4.658 4.340 -0.000 0.000 0.273 389 Q C -1.907 174.107 176.000 0.024 0.000 0.948 389 Q CA -1.157 54.662 55.803 0.027 0.000 0.854 389 Q CB 1.211 29.970 28.738 0.036 0.000 1.569 389 Q HN 0.430 nan 8.270 nan 0.000 0.405 390 K N 2.671 123.082 120.400 0.018 0.000 2.379 390 K HA 0.193 4.513 4.320 -0.000 0.000 0.284 390 K C 0.004 176.615 176.600 0.019 0.000 1.044 390 K CA -0.069 56.226 56.287 0.012 0.000 0.974 390 K CB 0.623 33.125 32.500 0.003 0.000 0.962 390 K HN 0.717 nan 8.250 nan 0.000 0.474 391 R N 1.952 122.466 120.500 0.023 0.000 2.774 391 R HA 0.063 4.403 4.340 -0.000 0.000 0.269 391 R C 0.404 176.714 176.300 0.017 0.000 1.068 391 R CA -0.584 55.536 56.100 0.034 0.000 1.180 391 R CB 0.131 30.459 30.300 0.047 0.000 1.077 391 R HN 0.343 nan 8.270 nan 0.000 0.513 392 N N 1.277 119.988 118.700 0.018 0.000 2.400 392 N HA -0.044 4.696 4.740 -0.000 0.000 0.278 392 N C -0.775 174.714 175.510 -0.036 0.000 1.247 392 N CA 0.152 53.188 53.050 -0.023 0.000 0.970 392 N CB 0.139 38.596 38.487 -0.051 0.000 1.312 392 N HN 0.495 nan 8.380 nan 0.000 0.488 393 N N 1.316 119.994 118.700 -0.037 0.000 2.184 393 N HA 0.110 4.850 4.740 -0.000 0.000 0.206 393 N C -0.047 175.430 175.510 -0.055 0.000 1.151 393 N CA -0.231 52.798 53.050 -0.035 0.000 0.878 393 N CB 0.455 38.927 38.487 -0.025 0.000 1.014 393 N HN 0.529 nan 8.380 nan 0.000 0.512 394 A N 0.768 123.544 122.820 -0.074 0.000 2.547 394 A HA 0.286 4.606 4.320 -0.000 0.000 0.233 394 A C 0.405 177.935 177.584 -0.091 0.000 1.067 394 A CA 0.084 52.070 52.037 -0.086 0.000 0.763 394 A CB 0.182 19.119 19.000 -0.104 0.000 1.007 394 A HN 0.069 nan 8.150 nan 0.000 0.506 395 V N 0.754 120.613 119.914 -0.092 0.000 2.638 395 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 395 V C -0.376 175.649 176.094 -0.114 0.000 1.052 395 V CA -1.118 61.130 62.300 -0.088 0.000 0.885 395 V CB 1.399 33.182 31.823 -0.067 0.000 0.999 395 V HN 0.621 nan 8.190 nan 0.000 0.424 396 I N 4.986 125.490 120.570 -0.109 0.000 2.496 396 I HA 0.658 4.828 4.170 -0.000 0.000 0.285 396 I C -0.004 176.039 176.117 -0.123 0.000 1.080 396 I CA 0.479 61.694 61.300 -0.142 0.000 1.404 396 I CB 0.484 38.435 38.000 -0.081 0.000 1.403 396 I HN 1.093 nan 8.210 nan 0.000 0.539 397 D N 5.158 125.438 120.400 -0.200 0.000 2.725 397 D HA 0.123 4.763 4.640 -0.000 0.000 0.292 397 D C 0.540 176.719 176.300 -0.202 0.000 1.288 397 D CA -0.792 53.135 54.000 -0.122 0.000 0.784 397 D CB 0.858 41.603 40.800 -0.092 0.000 1.308 397 D HN 0.463 nan 8.370 nan 0.000 0.429 398 R N -0.023 120.457 120.500 -0.032 0.000 2.117 398 R HA -0.198 4.142 4.340 -0.000 0.000 0.243 398 R C 1.708 177.957 176.300 -0.085 0.000 1.143 398 R CA 2.328 58.464 56.100 0.061 0.000 0.968 398 R CB -0.938 29.420 30.300 0.097 0.000 0.863 398 R HN 0.426 nan 8.270 nan 0.000 0.444 399 S N 1.159 116.786 115.700 -0.121 0.000 2.420 399 S HA -0.160 4.310 4.470 -0.000 0.000 0.237 399 S C 1.883 176.358 174.600 -0.209 0.000 1.023 399 S CA 1.206 59.333 58.200 -0.121 0.000 0.991 399 S CB -0.307 62.831 63.200 -0.104 0.000 0.792 399 S HN 0.403 nan 8.310 nan 0.000 0.488 400 L N 0.070 121.042 121.223 -0.418 0.000 2.362 400 L HA 0.331 4.671 4.340 -0.000 0.000 0.219 400 L C 0.706 177.218 176.870 -0.596 0.000 1.134 400 L CA 1.244 55.740 54.840 -0.573 0.000 0.807 400 L CB -0.749 40.822 42.059 -0.814 0.000 0.927 400 L HN 0.362 nan 8.230 nan 0.000 0.447 401 F N -1.363 118.575 119.950 -0.021 0.000 2.684 401 F HA 0.247 4.774 4.527 -0.000 0.000 0.298 401 F C 1.683 177.476 175.800 -0.011 0.000 1.120 401 F CA -0.534 57.458 58.000 -0.015 0.000 1.332 401 F CB -0.731 38.253 39.000 -0.027 0.000 0.986 401 F HN -0.051 nan 8.300 nan 0.000 0.524 402 K N 0.648 121.090 120.400 0.069 0.000 1.970 402 K HA -0.247 4.073 4.320 -0.000 0.000 0.225 402 K C 0.862 177.496 176.600 0.058 0.000 1.045 402 K CA 1.607 57.922 56.287 0.046 0.000 1.002 402 K CB -0.590 31.912 32.500 0.003 0.000 0.743 402 K HN 0.051 nan 8.250 nan 0.000 0.445 403 N N 1.730 120.459 118.700 0.047 0.000 2.349 403 N HA -0.075 4.665 4.740 -0.000 0.000 0.296 403 N C -1.019 174.522 175.510 0.053 0.000 1.304 403 N CA 0.273 53.350 53.050 0.045 0.000 1.051 403 N CB -0.368 38.148 38.487 0.049 0.000 1.466 403 N HN 0.152 nan 8.380 nan 0.000 0.487 404 I N 3.725 124.317 120.570 0.037 0.000 2.291 404 I HA -0.000 4.170 4.170 -0.000 0.000 0.292 404 I C 1.295 177.403 176.117 -0.016 0.000 1.064 404 I CA -0.555 60.760 61.300 0.024 0.000 1.269 404 I CB 1.024 39.042 38.000 0.031 0.000 1.418 404 I HN 0.351 nan 8.210 nan 0.000 0.485 405 V N 2.282 122.157 119.914 -0.065 0.000 3.630 405 V HA 0.061 4.181 4.120 -0.000 0.000 0.273 405 V C 0.836 176.880 176.094 -0.083 0.000 1.248 405 V CA 0.162 62.398 62.300 -0.107 0.000 1.170 405 V CB -1.248 30.426 31.823 -0.249 0.000 0.899 405 V HN 0.760 nan 8.190 nan 0.000 0.457 406 T N -3.001 111.524 114.554 -0.049 0.000 2.949 406 T HA 0.487 4.837 4.350 -0.000 0.000 0.287 406 T C 0.612 175.302 174.700 -0.018 0.000 1.034 406 T CA -0.637 61.442 62.100 -0.034 0.000 1.018 406 T CB 2.214 71.066 68.868 -0.025 0.000 1.135 406 T HN 0.135 nan 8.240 nan 0.000 0.532 407 K N 0.198 120.588 120.400 -0.016 0.000 2.057 407 K HA 0.013 4.333 4.320 -0.000 0.000 0.206 407 K C 0.988 177.585 176.600 -0.004 0.000 1.050 407 K CA 0.611 56.892 56.287 -0.011 0.000 0.935 407 K CB -0.090 32.402 32.500 -0.012 0.000 0.715 407 K HN 0.415 nan 8.250 nan 0.000 0.439 408 N N 1.461 120.159 118.700 -0.003 0.000 2.475 408 N HA -0.007 4.733 4.740 -0.000 0.000 0.267 408 N C -0.075 175.448 175.510 0.022 0.000 1.169 408 N CA 0.458 53.513 53.050 0.007 0.000 0.947 408 N CB 1.071 39.559 38.487 0.002 0.000 1.061 408 N HN -0.083 nan 8.380 nan 0.000 0.466 409 K N 0.772 121.189 120.400 0.027 0.000 2.387 409 K HA 0.180 4.500 4.320 -0.000 0.000 0.203 409 K C -0.142 176.486 176.600 0.047 0.000 1.030 409 K CA -0.099 56.208 56.287 0.032 0.000 1.099 409 K CB 0.146 32.657 32.500 0.018 0.000 0.863 409 K HN 0.446 nan 8.250 nan 0.000 0.529 410 T N 0.847 115.447 114.554 0.077 0.000 2.908 410 T HA 0.132 4.482 4.350 -0.000 0.000 0.325 410 T C -0.123 174.644 174.700 0.112 0.000 1.092 410 T CA 0.303 62.471 62.100 0.114 0.000 1.125 410 T CB 0.393 69.371 68.868 0.183 0.000 1.016 410 T HN 0.073 nan 8.240 nan 0.000 0.550 411 L N 3.590 124.798 121.223 -0.025 0.000 3.305 411 L HA 0.266 4.606 4.340 -0.000 0.000 0.215 411 L C -2.654 174.027 176.870 -0.316 0.000 1.032 411 L CA -0.884 53.770 54.840 -0.309 0.000 1.264 411 L CB 0.230 42.163 42.059 -0.210 0.000 1.536 411 L HN 0.445 nan 8.230 nan 0.000 0.685 412 P HA 0.129 nan 4.420 nan 0.000 0.267 412 P C 0.525 177.688 177.300 -0.229 0.000 1.201 412 P CA -0.019 62.951 63.100 -0.216 0.000 0.775 412 P CB 0.706 32.302 31.700 -0.174 0.000 0.854 413 E N 0.387 120.505 120.200 -0.136 0.000 2.463 413 E HA -0.086 4.264 4.350 -0.000 0.000 0.201 413 E C 1.331 177.856 176.600 -0.125 0.000 1.045 413 E CA 0.928 57.259 56.400 -0.114 0.000 0.872 413 E CB -0.091 29.572 29.700 -0.063 0.000 0.797 413 E HN 0.387 nan 8.360 nan 0.000 0.538 414 S N 0.673 116.287 115.700 -0.142 0.000 2.362 414 S HA -0.025 4.445 4.470 -0.000 0.000 0.221 414 S C 2.149 176.633 174.600 -0.194 0.000 1.032 414 S CA 0.751 58.879 58.200 -0.121 0.000 0.973 414 S CB -0.071 63.080 63.200 -0.082 0.000 0.849 414 S HN 0.383 nan 8.310 nan 0.000 0.465 415 A N 1.630 124.241 122.820 -0.348 0.000 1.908 415 A HA -0.080 4.239 4.320 -0.000 0.000 0.218 415 A C 2.324 179.626 177.584 -0.470 0.000 1.181 415 A CA 1.672 53.373 52.037 -0.559 0.000 0.627 415 A CB -1.065 17.138 19.000 -1.328 0.000 0.818 415 A HN 0.327 nan 8.150 nan 0.000 0.445 416 V N -0.048 119.621 119.914 -0.407 0.000 2.255 416 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 416 V C 2.570 178.538 176.094 -0.211 0.000 1.051 416 V CA 2.344 64.424 62.300 -0.365 0.000 1.018 416 V CB -0.905 30.818 31.823 -0.168 0.000 0.641 416 V HN 0.668 nan 8.190 nan 0.000 0.445 417 R N 0.265 120.687 120.500 -0.131 0.000 2.143 417 R HA -0.267 4.073 4.340 -0.000 0.000 0.239 417 R C 2.107 178.371 176.300 -0.061 0.000 1.126 417 R CA 2.740 58.803 56.100 -0.061 0.000 0.927 417 R CB -0.581 29.687 30.300 -0.054 0.000 0.860 417 R HN 0.582 nan 8.270 nan 0.000 0.433 418 D N 0.473 120.817 120.400 -0.094 0.000 2.092 418 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 418 D C 1.992 178.248 176.300 -0.075 0.000 0.994 418 D CA 1.246 55.202 54.000 -0.072 0.000 0.828 418 D CB -0.399 40.358 40.800 -0.071 0.000 0.963 418 D HN 0.273 nan 8.370 nan 0.000 0.450 419 L N 0.362 121.485 121.223 -0.166 0.000 2.129 419 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 419 L C 2.349 179.242 176.870 0.039 0.000 1.087 419 L CA 0.811 55.542 54.840 -0.181 0.000 0.757 419 L CB -0.283 41.397 42.059 -0.632 0.000 0.896 419 L HN 0.119 nan 8.230 nan 0.000 0.434 420 I N -1.436 119.188 120.570 0.089 0.000 2.406 420 I HA -0.199 3.971 4.170 -0.000 0.000 0.249 420 I C 2.363 178.538 176.117 0.096 0.000 1.122 420 I CA 0.596 62.014 61.300 0.198 0.000 1.431 420 I CB -0.041 38.069 38.000 0.184 0.000 1.087 420 I HN 0.014 nan 8.210 nan 0.000 0.424 421 V N 1.202 121.146 119.914 0.049 0.000 2.343 421 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 421 V C 2.685 178.803 176.094 0.040 0.000 1.051 421 V CA 2.012 64.335 62.300 0.038 0.000 1.036 421 V CB -0.884 30.948 31.823 0.015 0.000 0.654 421 V HN 0.478 nan 8.190 nan 0.000 0.451 422 A N -0.604 122.234 122.820 0.030 0.000 2.014 422 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 422 A C 2.436 180.042 177.584 0.037 0.000 1.163 422 A CA 1.903 53.956 52.037 0.027 0.000 0.652 422 A CB -0.407 18.598 19.000 0.008 0.000 0.808 422 A HN 0.520 nan 8.150 nan 0.000 0.449 423 S N -0.076 115.660 115.700 0.059 0.000 2.362 423 S HA 0.003 4.473 4.470 -0.000 0.000 0.221 423 S C 1.795 176.399 174.600 0.007 0.000 1.032 423 S CA 1.174 59.400 58.200 0.044 0.000 0.973 423 S CB -0.401 62.856 63.200 0.096 0.000 0.849 423 S HN 0.550 nan 8.310 nan 0.000 0.465 424 I N 2.035 122.625 120.570 0.032 0.000 2.226 424 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 424 I C 2.772 178.943 176.117 0.090 0.000 1.100 424 I CA 1.031 62.355 61.300 0.040 0.000 1.374 424 I CB -0.611 37.440 38.000 0.086 0.000 1.057 424 I HN 0.253 nan 8.210 nan 0.000 0.413 425 A N 0.724 123.601 122.820 0.096 0.000 1.883 425 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 425 A C 2.466 180.099 177.584 0.081 0.000 1.186 425 A CA 1.972 54.076 52.037 0.112 0.000 0.624 425 A CB -1.087 17.953 19.000 0.065 0.000 0.822 425 A HN 0.236 nan 8.150 nan 0.000 0.444 426 V N 0.355 120.287 119.914 0.031 0.000 2.332 426 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 426 V C 2.530 178.600 176.094 -0.041 0.000 1.055 426 V CA 2.387 64.692 62.300 0.008 0.000 1.038 426 V CB -0.642 31.174 31.823 -0.013 0.000 0.651 426 V HN 0.719 nan 8.190 nan 0.000 0.450 427 K N -1.125 119.194 120.400 -0.134 0.000 2.360 427 K HA -0.197 4.123 4.320 -0.000 0.000 0.201 427 K C 1.200 177.455 176.600 -0.575 0.000 1.046 427 K CA 1.655 57.730 56.287 -0.353 0.000 0.940 427 K CB -0.055 32.137 32.500 -0.513 0.000 0.748 427 K HN 0.582 nan 8.250 nan 0.000 0.465 428 Y N -0.482 119.776 120.300 -0.071 0.000 2.641 428 Y HA 0.226 4.776 4.550 -0.000 0.000 0.248 428 Y C 0.069 176.027 175.900 0.096 0.000 1.170 428 Y CA -0.363 57.645 58.100 -0.154 0.000 1.201 428 Y CB 0.953 39.439 38.460 0.043 0.000 1.232 428 Y HN -0.175 nan 8.280 nan 0.000 0.537 429 T N 1.196 115.885 114.554 0.226 0.000 2.934 429 T HA 0.257 4.607 4.350 -0.000 0.000 0.283 429 T C -0.085 174.779 174.700 0.275 0.000 1.005 429 T CA -0.754 61.478 62.100 0.220 0.000 1.041 429 T CB 0.974 69.902 68.868 0.101 0.000 1.042 429 T HN -0.133 nan 8.240 nan 0.000 0.505 430 Q N 1.779 121.687 119.800 0.180 0.000 2.293 430 Q HA 0.279 4.619 4.340 -0.000 0.000 0.263 430 Q C 0.092 176.071 176.000 -0.036 0.000 1.002 430 Q CA -0.065 55.762 55.803 0.039 0.000 0.910 430 Q CB 0.736 29.526 28.738 0.088 0.000 1.185 430 Q HN 0.609 nan 8.270 nan 0.000 0.401 431 S N 2.889 118.436 115.700 -0.255 0.000 2.558 431 S HA -0.007 4.463 4.470 -0.000 0.000 0.287 431 S C 0.728 175.308 174.600 -0.032 0.000 1.321 431 S CA -0.248 57.853 58.200 -0.165 0.000 1.048 431 S CB 0.174 63.127 63.200 -0.412 0.000 0.844 431 S HN 0.638 nan 8.310 nan 0.000 0.512 432 N N 0.363 119.053 118.700 -0.016 0.000 2.434 432 N HA 0.340 5.080 4.740 -0.000 0.000 0.266 432 N C -1.189 174.350 175.510 0.048 0.000 1.223 432 N CA -0.718 52.341 53.050 0.016 0.000 0.972 432 N CB 0.643 39.145 38.487 0.025 0.000 1.207 432 N HN 0.374 nan 8.380 nan 0.000 0.525 433 S N 0.391 116.128 115.700 0.061 0.000 2.737 433 S HA 0.228 4.698 4.470 -0.000 0.000 0.269 433 S C -0.819 173.810 174.600 0.048 0.000 1.150 433 S CA -0.762 57.473 58.200 0.058 0.000 1.077 433 S CB 1.135 64.368 63.200 0.055 0.000 1.075 433 S HN 0.417 nan 8.310 nan 0.000 0.476 434 V N 2.515 122.479 119.914 0.082 0.000 2.427 434 V HA 0.576 4.696 4.120 -0.000 0.000 0.286 434 V C -0.006 176.152 176.094 0.107 0.000 1.034 434 V CA -0.585 61.767 62.300 0.087 0.000 0.893 434 V CB 1.330 33.248 31.823 0.159 0.000 0.982 434 V HN 0.971 nan 8.190 nan 0.000 0.452 435 C N 6.324 125.652 119.300 0.046 0.000 2.482 435 C HA 0.727 5.187 4.460 -0.000 0.000 0.317 435 C C -1.118 173.897 174.990 0.042 0.000 1.197 435 C CA -0.695 58.381 59.018 0.096 0.000 1.432 435 C CB 0.665 28.438 27.740 0.056 0.000 2.062 435 C HN 0.769 nan 8.230 nan 0.000 0.471 436 Y N 3.741 124.030 120.300 -0.019 0.000 2.341 436 Y HA 0.670 5.220 4.550 -0.000 0.000 0.337 436 Y C 0.612 176.446 175.900 -0.110 0.000 1.014 436 Y CA -0.135 57.934 58.100 -0.052 0.000 1.111 436 Y CB 1.492 39.912 38.460 -0.066 0.000 1.194 436 Y HN 0.955 nan 8.280 nan 0.000 0.462 437 A N 3.648 126.483 122.820 0.024 0.000 2.430 437 A HA 0.939 5.259 4.320 -0.000 0.000 0.300 437 A C -1.071 176.456 177.584 -0.095 0.000 1.124 437 A CA -0.852 51.146 52.037 -0.064 0.000 0.766 437 A CB 2.212 21.187 19.000 -0.040 0.000 1.328 437 A HN 0.681 nan 8.150 nan 0.000 0.424 438 K N 0.490 120.803 120.400 -0.145 0.000 2.636 438 K HA 0.299 4.619 4.320 -0.000 0.000 0.268 438 K C -1.531 175.025 176.600 -0.072 0.000 0.958 438 K CA -0.360 55.859 56.287 -0.113 0.000 0.875 438 K CB 1.085 33.491 32.500 -0.158 0.000 1.382 438 K HN 0.715 nan 8.250 nan 0.000 0.405 439 D N 1.965 122.362 120.400 -0.005 0.000 2.800 439 D HA -0.167 4.473 4.640 -0.000 0.000 0.232 439 D C 0.502 176.819 176.300 0.028 0.000 1.137 439 D CA 2.036 56.062 54.000 0.043 0.000 0.718 439 D CB -1.174 39.699 40.800 0.121 0.000 1.084 439 D HN 1.101 nan 8.370 nan 0.000 0.432 440 G N 0.278 109.078 108.800 -0.001 0.000 2.160 440 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.251 440 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.251 440 G C 0.113 175.013 174.900 -0.000 0.000 1.008 440 G CA 1.297 46.399 45.100 0.003 0.000 0.724 440 G HN 0.829 nan 8.290 nan 0.000 0.514 441 Q N -1.407 118.375 119.800 -0.031 0.000 2.462 441 Q HA 0.692 5.031 4.340 -0.000 0.000 0.285 441 Q C -0.719 175.212 176.000 -0.115 0.000 1.035 441 Q CA -1.116 54.658 55.803 -0.048 0.000 0.799 441 Q CB 1.916 30.636 28.738 -0.029 0.000 1.452 441 Q HN 0.366 nan 8.270 nan 0.000 0.404 442 V N 3.573 123.433 119.914 -0.091 0.000 2.637 442 V HA 0.120 4.240 4.120 -0.000 0.000 0.296 442 V C 0.904 176.858 176.094 -0.232 0.000 1.046 442 V CA 0.372 62.608 62.300 -0.106 0.000 1.066 442 V CB 0.640 32.438 31.823 -0.042 0.000 0.968 442 V HN 0.833 nan 8.190 nan 0.000 0.483 443 I N 1.334 121.719 120.570 -0.307 0.000 4.338 443 I HA 0.668 4.838 4.170 -0.000 0.000 0.329 443 I C 0.592 176.563 176.117 -0.244 0.000 1.378 443 I CA 0.013 60.980 61.300 -0.555 0.000 1.170 443 I CB 0.934 38.235 38.000 -1.165 0.000 1.206 443 I HN 0.618 nan 8.210 nan 0.000 0.432 444 G N 2.166 110.912 108.800 -0.090 0.000 2.761 444 G HA2 0.657 4.617 3.960 -0.000 0.000 0.296 444 G HA3 0.657 4.617 3.960 -0.000 0.000 0.296 444 G C -1.848 173.117 174.900 0.110 0.000 1.416 444 G CA -0.403 44.684 45.100 -0.023 0.000 1.105 444 G HN 0.179 nan 8.290 nan 0.000 0.565 445 I N 1.781 122.406 120.570 0.091 0.000 2.667 445 I HA 0.616 4.786 4.170 -0.000 0.000 0.288 445 I C 0.038 176.212 176.117 0.096 0.000 1.267 445 I CA -0.515 60.850 61.300 0.108 0.000 1.055 445 I CB 1.718 39.752 38.000 0.058 0.000 1.294 445 I HN 0.756 nan 8.210 nan 0.000 0.429 446 G N 5.054 113.925 108.800 0.118 0.000 2.417 446 G HA2 0.887 4.847 3.960 -0.000 0.000 0.334 446 G HA3 0.887 4.847 3.960 -0.000 0.000 0.334 446 G C -1.288 173.663 174.900 0.085 0.000 1.150 446 G CA -0.235 44.925 45.100 0.101 0.000 0.923 446 G HN 0.905 nan 8.290 nan 0.000 0.485 447 A N -0.608 122.256 122.820 0.073 0.000 2.606 447 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 447 A C 0.713 178.334 177.584 0.061 0.000 1.082 447 A CA 0.302 52.380 52.037 0.067 0.000 0.685 447 A CB 0.933 19.973 19.000 0.067 0.000 1.284 447 A HN 2.548 nan 8.150 nan 0.000 0.408 448 G N 0.130 108.965 108.800 0.059 0.000 2.203 448 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.263 448 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.263 448 G C 0.207 175.133 174.900 0.044 0.000 1.012 448 G CA 0.916 46.051 45.100 0.057 0.000 0.749 448 G HN 0.820 nan 8.290 nan 0.000 0.512 449 Q N -0.970 118.860 119.800 0.050 0.000 2.318 449 Q HA 0.500 4.840 4.340 -0.000 0.000 0.222 449 Q C 1.407 177.435 176.000 0.047 0.000 1.003 449 Q CA -0.103 55.736 55.803 0.060 0.000 0.936 449 Q CB 0.468 29.262 28.738 0.092 0.000 1.204 449 Q HN 0.610 nan 8.270 nan 0.000 0.524 450 Q N -0.633 119.212 119.800 0.075 0.000 2.214 450 Q HA 0.214 4.554 4.340 -0.000 0.000 0.229 450 Q C -0.148 175.875 176.000 0.038 0.000 0.835 450 Q CA -0.022 55.806 55.803 0.041 0.000 0.953 450 Q CB 1.225 29.989 28.738 0.043 0.000 1.131 450 Q HN 0.400 nan 8.270 nan 0.000 0.501 451 S N -0.330 115.420 115.700 0.083 0.000 2.521 451 S HA 0.399 4.869 4.470 -0.000 0.000 0.295 451 S C 0.176 174.801 174.600 0.041 0.000 1.098 451 S CA -0.633 57.562 58.200 -0.008 0.000 0.999 451 S CB 1.625 64.685 63.200 -0.235 0.000 1.034 451 S HN 0.151 nan 8.310 nan 0.000 0.483 452 R N 3.327 123.832 120.500 0.009 0.000 2.113 452 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 452 R C 1.956 178.337 176.300 0.134 0.000 1.129 452 R CA 2.511 58.653 56.100 0.071 0.000 0.915 452 R CB -1.303 29.037 30.300 0.066 0.000 0.837 452 R HN 0.736 nan 8.270 nan 0.000 0.430 453 I N 0.779 121.412 120.570 0.104 0.000 2.185 453 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 453 I C 1.973 178.206 176.117 0.193 0.000 1.088 453 I CA 1.981 63.359 61.300 0.129 0.000 1.347 453 I CB -0.666 37.390 38.000 0.093 0.000 1.041 453 I HN 0.390 nan 8.210 nan 0.000 0.415 454 H N -1.415 117.705 119.070 0.083 0.000 2.319 454 H HA -0.289 4.267 4.556 -0.000 0.000 0.297 454 H C 2.531 177.907 175.328 0.079 0.000 1.097 454 H CA 1.623 57.713 56.048 0.071 0.000 1.285 454 H CB -0.292 29.503 29.762 0.055 0.000 1.368 454 H HN 0.566 nan 8.280 nan 0.000 0.495 455 C N 0.300 119.735 119.300 0.225 0.000 2.453 455 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 455 C C 2.876 177.979 174.990 0.188 0.000 1.262 455 C CA 1.531 60.650 59.018 0.168 0.000 1.718 455 C CB -0.971 26.855 27.740 0.142 0.000 2.031 455 C HN 0.538 nan 8.230 nan 0.000 0.480 456 T N 0.432 115.113 114.554 0.211 0.000 2.685 456 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 456 T C 1.930 176.773 174.700 0.239 0.000 1.034 456 T CA 1.980 64.227 62.100 0.245 0.000 1.149 456 T CB -0.304 68.681 68.868 0.194 0.000 0.860 456 T HN 0.624 nan 8.240 nan 0.000 0.449 457 R N 0.101 120.706 120.500 0.175 0.000 2.073 457 R HA 0.168 4.508 4.340 -0.000 0.000 0.229 457 R C 2.517 178.875 176.300 0.096 0.000 1.120 457 R CA 0.751 56.928 56.100 0.128 0.000 0.967 457 R CB -0.478 29.893 30.300 0.118 0.000 0.862 457 R HN 0.330 nan 8.270 nan 0.000 0.436 458 L N 0.441 121.725 121.223 0.102 0.000 2.042 458 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 458 L C 2.277 179.187 176.870 0.068 0.000 1.076 458 L CA 1.734 56.617 54.840 0.072 0.000 0.749 458 L CB -0.298 41.804 42.059 0.072 0.000 0.893 458 L HN 0.223 nan 8.230 nan 0.000 0.432 459 A N -0.385 122.502 122.820 0.112 0.000 1.897 459 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 459 A C 2.298 179.814 177.584 -0.114 0.000 1.181 459 A CA 1.230 53.327 52.037 0.101 0.000 0.620 459 A CB -1.352 17.830 19.000 0.302 0.000 0.821 459 A HN 0.530 nan 8.150 nan 0.000 0.443 460 G N 0.005 108.736 108.800 -0.114 0.000 2.442 460 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 460 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 460 G C 1.115 175.891 174.900 -0.206 0.000 1.141 460 G CA 1.263 46.147 45.100 -0.362 0.000 0.763 460 G HN 0.493 nan 8.290 nan 0.000 0.554 461 D N 0.604 120.965 120.400 -0.064 0.000 2.149 461 D HA -0.025 4.614 4.640 -0.000 0.000 0.201 461 D C 2.408 178.719 176.300 0.017 0.000 0.972 461 D CA 0.675 54.672 54.000 -0.005 0.000 0.835 461 D CB -0.147 40.666 40.800 0.021 0.000 0.966 461 D HN 0.293 nan 8.370 nan 0.000 0.476 462 K N 0.967 121.370 120.400 0.004 0.000 2.152 462 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 462 K C 2.115 178.759 176.600 0.073 0.000 1.048 462 K CA 0.927 57.243 56.287 0.049 0.000 0.933 462 K CB 0.004 32.529 32.500 0.040 0.000 0.721 462 K HN 0.012 nan 8.250 nan 0.000 0.447 463 A N 2.303 125.097 122.820 -0.043 0.000 1.845 463 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 463 A C 1.754 179.481 177.584 0.237 0.000 1.195 463 A CA 1.969 53.994 52.037 -0.020 0.000 0.616 463 A CB -0.924 17.874 19.000 -0.336 0.000 0.832 463 A HN 0.409 nan 8.150 nan 0.000 0.443 464 N N 0.378 119.185 118.700 0.179 0.000 2.021 464 N HA -0.201 4.539 4.740 -0.000 0.000 0.198 464 N C 1.932 177.642 175.510 0.333 0.000 1.041 464 N CA 1.790 55.016 53.050 0.293 0.000 0.862 464 N CB -0.373 38.224 38.487 0.184 0.000 1.048 464 N HN 0.454 nan 8.380 nan 0.000 0.427 465 S N 0.593 116.435 115.700 0.238 0.000 2.390 465 S HA -0.279 4.191 4.470 -0.000 0.000 0.234 465 S C 1.485 176.273 174.600 0.313 0.000 1.063 465 S CA 1.744 60.079 58.200 0.224 0.000 1.108 465 S CB -0.859 62.454 63.200 0.189 0.000 0.975 465 S HN 0.534 nan 8.310 nan 0.000 0.442 466 W N 1.419 122.841 121.300 0.203 0.000 2.329 466 W HA -0.163 4.497 4.660 -0.000 0.000 0.324 466 W C 2.340 179.120 176.519 0.435 0.000 1.222 466 W CA 1.523 59.034 57.345 0.277 0.000 1.270 466 W CB -0.882 28.703 29.460 0.209 0.000 1.167 466 W HN 0.413 nan 8.180 nan 0.000 0.467 467 W N 0.779 122.244 121.300 0.275 0.000 2.318 467 W HA -0.318 4.342 4.660 -0.000 0.000 0.313 467 W C 1.957 178.641 176.519 0.274 0.000 1.221 467 W CA 1.700 59.060 57.345 0.024 0.000 1.266 467 W CB -0.644 28.963 29.460 0.245 0.000 1.150 467 W HN -0.082 nan 8.180 nan 0.000 0.496 468 L N 0.542 121.873 121.223 0.180 0.000 2.265 468 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 468 L C 2.416 179.210 176.870 -0.127 0.000 1.117 468 L CA 1.137 55.940 54.840 -0.061 0.000 0.782 468 L CB -0.697 41.383 42.059 0.035 0.000 0.914 468 L HN -0.063 nan 8.230 nan 0.000 0.441 469 R N -1.323 119.185 120.500 0.013 0.000 2.339 469 R HA -0.085 4.255 4.340 -0.000 0.000 0.199 469 R C 1.551 177.736 176.300 -0.191 0.000 1.018 469 R CA 0.419 56.494 56.100 -0.041 0.000 1.036 469 R CB -0.116 30.181 30.300 -0.005 0.000 0.899 469 R HN 0.405 nan 8.270 nan 0.000 0.473 470 H N -1.872 116.984 119.070 -0.356 0.000 2.553 470 H HA 0.056 4.612 4.556 -0.000 0.000 0.276 470 H C 0.353 175.335 175.328 -0.576 0.000 0.979 470 H CA 0.007 55.849 56.048 -0.343 0.000 1.268 470 H CB -0.048 29.590 29.762 -0.208 0.000 1.450 470 H HN 0.065 nan 8.280 nan 0.000 0.527 471 H N 2.404 120.823 119.070 -1.086 0.000 3.173 471 H HA -0.085 4.471 4.556 -0.000 0.000 0.311 471 H C -1.610 173.222 175.328 -0.827 0.000 0.972 471 H CA -1.015 54.045 56.048 -1.647 0.000 1.384 471 H CB 0.893 29.854 29.762 -1.336 0.000 1.349 471 H HN 0.148 nan 8.280 nan 0.000 0.582 472 P HA -0.216 nan 4.420 nan 0.000 0.216 472 P C 1.598 178.869 177.300 -0.048 0.000 1.157 472 P CA 2.092 65.103 63.100 -0.149 0.000 0.880 472 P CB -0.004 31.623 31.700 -0.122 0.000 0.791 473 R N -0.367 120.160 120.500 0.044 0.000 2.200 473 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 473 R C 1.645 177.844 176.300 -0.168 0.000 1.127 473 R CA 1.047 57.065 56.100 -0.135 0.000 0.989 473 R CB -0.484 29.643 30.300 -0.288 0.000 0.869 473 R HN 0.095 nan 8.270 nan 0.000 0.459 474 V N 0.680 120.501 119.914 -0.155 0.000 2.331 474 V HA -0.150 3.970 4.120 -0.000 0.000 0.242 474 V C 2.078 178.111 176.094 -0.101 0.000 1.034 474 V CA 1.220 63.444 62.300 -0.125 0.000 1.027 474 V CB -0.214 31.543 31.823 -0.110 0.000 0.667 474 V HN 0.315 nan 8.190 nan 0.000 0.457 475 L N 0.257 121.407 121.223 -0.122 0.000 2.549 475 L HA -0.108 4.232 4.340 -0.000 0.000 0.230 475 L C 2.286 179.113 176.870 -0.073 0.000 1.162 475 L CA 0.901 55.678 54.840 -0.104 0.000 0.834 475 L CB -0.711 41.270 42.059 -0.130 0.000 0.947 475 L HN 0.326 nan 8.230 nan 0.000 0.452 476 S N -0.904 114.746 115.700 -0.083 0.000 2.387 476 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 476 S C 0.950 175.502 174.600 -0.080 0.000 1.041 476 S CA -0.164 57.990 58.200 -0.077 0.000 0.959 476 S CB -0.123 63.020 63.200 -0.096 0.000 0.843 476 S HN 0.214 nan 8.310 nan 0.000 0.488 477 M N 2.972 122.501 119.600 -0.119 0.000 2.206 477 M HA -0.166 4.314 4.480 -0.000 0.000 0.535 477 M C -0.430 175.826 176.300 -0.073 0.000 1.364 477 M CA 0.732 55.942 55.300 -0.150 0.000 0.680 477 M CB 0.120 32.683 32.600 -0.061 0.000 1.937 477 M HN 0.000 nan 8.290 nan 0.000 0.558 478 K N 6.330 126.657 120.400 -0.121 0.000 2.457 478 K HA 0.222 4.541 4.320 -0.000 0.000 0.226 478 K C -0.399 176.183 176.600 -0.029 0.000 1.114 478 K CA -0.265 55.998 56.287 -0.041 0.000 1.089 478 K CB -0.137 32.332 32.500 -0.052 0.000 1.739 478 K HN 0.419 nan 8.250 nan 0.000 0.473 479 F N 1.660 121.614 119.950 0.007 0.000 2.705 479 F HA -0.108 4.419 4.527 -0.000 0.000 0.311 479 F C 1.311 177.047 175.800 -0.107 0.000 1.227 479 F CA 0.633 58.570 58.000 -0.104 0.000 1.356 479 F CB 0.420 39.314 39.000 -0.177 0.000 1.124 479 F HN 0.110 nan 8.300 nan 0.000 0.605 480 K N 0.559 121.031 120.400 0.121 0.000 2.138 480 K HA 0.595 4.915 4.320 -0.000 0.000 0.263 480 K C -0.600 176.006 176.600 0.010 0.000 0.965 480 K CA -0.874 55.427 56.287 0.023 0.000 0.868 480 K CB 1.447 33.928 32.500 -0.032 0.000 1.083 480 K HN 0.634 nan 8.250 nan 0.000 0.443 481 A N 1.334 124.152 122.820 -0.003 0.000 2.531 481 A HA 0.381 4.701 4.320 -0.000 0.000 0.236 481 A C 1.154 178.721 177.584 -0.029 0.000 1.062 481 A CA 1.020 53.048 52.037 -0.015 0.000 0.760 481 A CB -0.488 18.505 19.000 -0.012 0.000 0.995 481 A HN 0.977 nan 8.150 nan 0.000 0.501 482 G N 0.464 109.241 108.800 -0.038 0.000 2.199 482 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.254 482 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.254 482 G C 0.254 175.117 174.900 -0.062 0.000 0.982 482 G CA 0.174 45.248 45.100 -0.043 0.000 0.632 482 G HN 1.493 nan 8.290 nan 0.000 0.529 483 V N 2.171 122.037 119.914 -0.080 0.000 2.455 483 V HA 0.276 4.396 4.120 -0.000 0.000 0.273 483 V C 1.063 177.063 176.094 -0.156 0.000 1.045 483 V CA -0.232 61.993 62.300 -0.125 0.000 0.976 483 V CB 1.158 32.891 31.823 -0.149 0.000 0.993 483 V HN 0.356 nan 8.190 nan 0.000 0.475 484 K N 4.653 124.973 120.400 -0.134 0.000 2.489 484 K HA 0.014 4.334 4.320 -0.000 0.000 0.278 484 K C 1.494 177.991 176.600 -0.173 0.000 1.000 484 K CA -0.068 56.148 56.287 -0.118 0.000 1.012 484 K CB 0.582 33.037 32.500 -0.075 0.000 0.903 484 K HN 0.710 nan 8.250 nan 0.000 0.485 485 R N 2.133 122.549 120.500 -0.141 0.000 2.159 485 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 485 R C 1.637 177.856 176.300 -0.135 0.000 1.131 485 R CA 1.620 57.625 56.100 -0.158 0.000 0.982 485 R CB -0.362 29.882 30.300 -0.093 0.000 0.868 485 R HN 0.597 nan 8.270 nan 0.000 0.453 486 A N 1.645 124.417 122.820 -0.081 0.000 1.898 486 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 486 A C 1.924 179.457 177.584 -0.086 0.000 1.183 486 A CA 1.027 53.044 52.037 -0.034 0.000 0.622 486 A CB -0.221 18.802 19.000 0.038 0.000 0.824 486 A HN 0.440 nan 8.150 nan 0.000 0.444 487 E N -0.175 119.951 120.200 -0.123 0.000 2.153 487 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 487 E C 1.948 178.412 176.600 -0.227 0.000 0.988 487 E CA 1.174 57.489 56.400 -0.143 0.000 0.811 487 E CB -0.228 29.385 29.700 -0.146 0.000 0.746 487 E HN 0.411 nan 8.360 nan 0.000 0.466 488 V N 0.852 120.538 119.914 -0.380 0.000 2.223 488 V HA -0.290 3.830 4.120 -0.000 0.000 0.244 488 V C 2.273 178.199 176.094 -0.279 0.000 1.045 488 V CA 1.967 63.884 62.300 -0.638 0.000 1.000 488 V CB -0.651 30.698 31.823 -0.789 0.000 0.635 488 V HN 0.219 nan 8.190 nan 0.000 0.445 489 S N 0.864 116.470 115.700 -0.157 0.000 2.378 489 S HA -0.303 4.167 4.470 -0.000 0.000 0.229 489 S C 1.804 176.424 174.600 0.032 0.000 1.052 489 S CA 2.112 60.293 58.200 -0.033 0.000 1.084 489 S CB -0.687 62.513 63.200 -0.001 0.000 0.950 489 S HN 0.668 nan 8.310 nan 0.000 0.440 490 N N 2.127 120.837 118.700 0.018 0.000 2.025 490 N HA -0.089 4.651 4.740 -0.000 0.000 0.194 490 N C 1.906 177.520 175.510 0.174 0.000 1.044 490 N CA 1.391 54.481 53.050 0.067 0.000 0.851 490 N CB -1.185 37.316 38.487 0.024 0.000 1.036 490 N HN 0.426 nan 8.380 nan 0.000 0.422 491 A N 2.065 125.004 122.820 0.198 0.000 1.862 491 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 491 A C 2.289 180.216 177.584 0.572 0.000 1.251 491 A CA 2.011 54.306 52.037 0.429 0.000 0.673 491 A CB -1.318 17.837 19.000 0.259 0.000 0.843 491 A HN 0.266 nan 8.150 nan 0.000 0.458 492 I N -0.451 120.391 120.570 0.453 0.000 2.195 492 I HA -0.437 3.733 4.170 -0.000 0.000 0.232 492 I C 2.371 178.706 176.117 0.364 0.000 0.986 492 I CA 2.202 63.740 61.300 0.397 0.000 1.283 492 I CB -0.869 37.279 38.000 0.246 0.000 0.990 492 I HN 0.649 nan 8.210 nan 0.000 0.390 493 D N 0.698 121.245 120.400 0.245 0.000 2.549 493 D HA -0.318 4.322 4.640 -0.000 0.000 0.199 493 D C 2.077 178.492 176.300 0.192 0.000 1.034 493 D CA 2.570 56.683 54.000 0.189 0.000 0.880 493 D CB -0.487 40.396 40.800 0.139 0.000 1.044 493 D HN 0.463 nan 8.370 nan 0.000 0.469 494 Q N -1.549 118.365 119.800 0.190 0.000 2.182 494 Q HA -0.285 4.055 4.340 -0.000 0.000 0.213 494 Q C 2.214 178.260 176.000 0.078 0.000 1.000 494 Q CA 2.111 57.978 55.803 0.108 0.000 0.889 494 Q CB -0.511 28.286 28.738 0.099 0.000 0.932 494 Q HN 0.558 nan 8.270 nan 0.000 0.415 495 Y N 1.182 121.502 120.300 0.033 0.000 2.049 495 Y HA -0.246 4.304 4.550 -0.000 0.000 0.277 495 Y C 2.269 178.140 175.900 -0.048 0.000 1.143 495 Y CA 1.655 59.728 58.100 -0.044 0.000 1.115 495 Y CB -0.662 37.899 38.460 0.169 0.000 0.975 495 Y HN 0.062 nan 8.280 nan 0.000 0.487 496 V N -0.952 119.033 119.914 0.118 0.000 3.244 496 V HA -0.155 3.965 4.120 -0.000 0.000 0.273 496 V C 1.034 177.094 176.094 -0.057 0.000 1.180 496 V CA 2.391 64.674 62.300 -0.028 0.000 1.182 496 V CB -1.702 30.169 31.823 0.080 0.000 0.796 496 V HN 0.703 nan 8.190 nan 0.000 0.543 497 T N -5.302 109.218 114.554 -0.057 0.000 3.080 497 T HA 0.533 4.883 4.350 -0.000 0.000 0.280 497 T C 1.595 176.242 174.700 -0.088 0.000 0.926 497 T CA 0.659 62.729 62.100 -0.049 0.000 0.883 497 T CB 0.663 69.532 68.868 0.002 0.000 1.194 497 T HN 1.405 nan 8.240 nan 0.000 0.541 498 G N 2.209 110.923 108.800 -0.143 0.000 2.347 498 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.247 498 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.247 498 G C 1.348 176.164 174.900 -0.141 0.000 1.037 498 G CA 1.139 46.138 45.100 -0.169 0.000 0.622 498 G HN 1.201 nan 8.290 nan 0.000 0.521 499 T N 0.098 114.600 114.554 -0.087 0.000 2.932 499 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 499 T C 2.224 176.874 174.700 -0.084 0.000 1.131 499 T CA 1.502 63.564 62.100 -0.063 0.000 1.107 499 T CB -0.426 68.428 68.868 -0.022 0.000 0.824 499 T HN 0.658 nan 8.240 nan 0.000 0.552 500 I N 1.635 122.107 120.570 -0.163 0.000 2.103 500 I HA -0.145 4.025 4.170 -0.000 0.000 0.241 500 I C 2.282 178.313 176.117 -0.142 0.000 1.036 500 I CA 2.115 63.262 61.300 -0.255 0.000 1.300 500 I CB -1.154 36.454 38.000 -0.653 0.000 1.010 500 I HN 0.767 nan 8.210 nan 0.000 0.406 501 G N -0.214 108.498 108.800 -0.146 0.000 2.541 501 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.208 501 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.208 501 G C -0.481 174.371 174.900 -0.080 0.000 1.191 501 G CA 0.176 45.227 45.100 -0.081 0.000 1.217 501 G HN 0.583 nan 8.290 nan 0.000 0.566 502 E N -0.926 119.253 120.200 -0.034 0.000 1.436 502 E HA 0.338 4.688 4.350 -0.000 0.000 0.197 502 E C 0.079 176.687 176.600 0.012 0.000 2.076 502 E CA 0.743 57.134 56.400 -0.015 0.000 1.210 502 E CB -0.609 29.074 29.700 -0.028 0.000 1.259 502 E HN 1.066 nan 8.360 nan 0.000 0.707 503 D N 0.128 120.537 120.400 0.014 0.000 3.899 503 D HA -0.262 4.378 4.640 -0.000 0.000 0.146 503 D C 1.144 177.465 176.300 0.035 0.000 0.820 503 D CA 2.615 56.627 54.000 0.020 0.000 1.056 503 D CB -1.031 39.777 40.800 0.013 0.000 0.474 503 D HN 0.528 nan 8.370 nan 0.000 0.457 504 E N 1.133 121.354 120.200 0.034 0.000 2.046 504 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 504 E C 1.524 178.164 176.600 0.066 0.000 0.982 504 E CA 1.927 58.355 56.400 0.045 0.000 0.800 504 E CB -0.512 29.210 29.700 0.036 0.000 0.756 504 E HN 0.455 nan 8.360 nan 0.000 0.449 505 D N 0.533 120.968 120.400 0.058 0.000 2.192 505 D HA -0.254 4.386 4.640 -0.000 0.000 0.189 505 D C 2.038 178.418 176.300 0.134 0.000 1.007 505 D CA 1.591 55.637 54.000 0.076 0.000 0.859 505 D CB -0.474 40.347 40.800 0.035 0.000 0.936 505 D HN 0.204 nan 8.370 nan 0.000 0.447 506 L N 1.099 122.386 121.223 0.107 0.000 2.046 506 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 506 L C 2.417 179.446 176.870 0.266 0.000 1.077 506 L CA 1.244 56.187 54.840 0.171 0.000 0.747 506 L CB -0.380 41.730 42.059 0.086 0.000 0.896 506 L HN -0.121 nan 8.230 nan 0.000 0.432 507 V N -0.208 119.806 119.914 0.168 0.000 2.261 507 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 507 V C 2.720 178.906 176.094 0.153 0.000 1.047 507 V CA 1.765 64.151 62.300 0.143 0.000 1.015 507 V CB -0.725 31.150 31.823 0.087 0.000 0.642 507 V HN 0.404 nan 8.190 nan 0.000 0.446 508 K N -1.035 119.452 120.400 0.144 0.000 2.032 508 K HA -0.261 4.059 4.320 -0.000 0.000 0.209 508 K C 1.821 178.515 176.600 0.157 0.000 1.048 508 K CA 1.979 58.337 56.287 0.119 0.000 0.927 508 K CB -0.801 31.762 32.500 0.105 0.000 0.712 508 K HN 0.656 nan 8.250 nan 0.000 0.441 509 W N 2.762 124.100 121.300 0.063 0.000 2.304 509 W HA -0.248 4.412 4.660 -0.000 0.000 0.315 509 W C 2.011 178.629 176.519 0.165 0.000 1.233 509 W CA 1.970 59.377 57.345 0.104 0.000 1.261 509 W CB -0.221 29.323 29.460 0.140 0.000 1.150 509 W HN 0.217 nan 8.180 nan 0.000 0.494 510 Q N -0.466 119.511 119.800 0.295 0.000 2.230 510 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 510 Q C 2.389 178.433 176.000 0.074 0.000 0.963 510 Q CA 1.228 57.170 55.803 0.232 0.000 0.866 510 Q CB -0.646 28.239 28.738 0.245 0.000 0.931 510 Q HN 0.386 nan 8.270 nan 0.000 0.452 511 A N 2.193 125.020 122.820 0.011 0.000 1.948 511 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 511 A C 2.082 179.595 177.584 -0.119 0.000 1.177 511 A CA 1.655 53.672 52.037 -0.033 0.000 0.636 511 A CB -0.693 18.298 19.000 -0.015 0.000 0.815 511 A HN 0.525 nan 8.150 nan 0.000 0.449 512 M N -2.466 116.970 119.600 -0.273 0.000 2.639 512 M HA 0.360 4.840 4.480 -0.000 0.000 0.220 512 M C -0.816 175.154 176.300 -0.550 0.000 1.155 512 M CA 0.375 55.471 55.300 -0.339 0.000 1.003 512 M CB -0.556 31.857 32.600 -0.313 0.000 1.725 512 M HN 0.162 nan 8.290 nan 0.000 0.489 513 F N 1.184 120.973 119.950 -0.268 0.000 2.444 513 F HA 0.355 4.882 4.527 -0.000 0.000 0.342 513 F C 1.313 176.976 175.800 -0.228 0.000 1.121 513 F CA -0.792 56.984 58.000 -0.374 0.000 0.997 513 F CB 1.386 40.082 39.000 -0.507 0.000 1.130 513 F HN 0.097 nan 8.300 nan 0.000 0.454 514 E N 1.801 122.008 120.200 0.010 0.000 2.007 514 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 514 E C 0.290 176.875 176.600 -0.024 0.000 0.999 514 E CA 1.156 57.549 56.400 -0.012 0.000 0.811 514 E CB 0.152 29.840 29.700 -0.019 0.000 0.762 514 E HN 0.586 nan 8.360 nan 0.000 0.450 515 E N 1.022 121.188 120.200 -0.058 0.000 2.165 515 E HA 0.239 4.589 4.350 -0.000 0.000 0.266 515 E C -1.236 175.211 176.600 -0.256 0.000 0.889 515 E CA -0.345 55.984 56.400 -0.119 0.000 0.756 515 E CB 1.988 31.617 29.700 -0.118 0.000 1.131 515 E HN -0.115 nan 8.360 nan 0.000 0.411 516 V N 6.381 126.129 119.914 -0.275 0.000 2.583 516 V HA 0.375 4.495 4.120 -0.000 0.000 0.287 516 V C -2.042 173.771 176.094 -0.468 0.000 1.051 516 V CA -1.292 60.692 62.300 -0.526 0.000 1.010 516 V CB 1.100 32.751 31.823 -0.286 0.000 0.988 516 V HN 0.710 nan 8.190 nan 0.000 0.478 517 P HA 0.426 nan 4.420 nan 0.000 0.281 517 P C -0.959 176.225 177.300 -0.193 0.000 1.249 517 P CA -0.510 62.341 63.100 -0.416 0.000 0.810 517 P CB 1.594 32.941 31.700 -0.587 0.000 1.008 518 A N 2.273 125.030 122.820 -0.104 0.000 2.328 518 A HA 0.254 4.574 4.320 -0.000 0.000 0.284 518 A C 0.599 178.236 177.584 0.088 0.000 1.160 518 A CA -0.264 51.762 52.037 -0.019 0.000 0.818 518 A CB -0.128 18.850 19.000 -0.037 0.000 1.087 518 A HN 0.547 nan 8.150 nan 0.000 0.504 519 Q N -0.266 119.614 119.800 0.134 0.000 2.726 519 Q HA 0.317 4.657 4.340 -0.000 0.000 0.242 519 Q C -0.569 175.401 176.000 -0.049 0.000 1.130 519 Q CA 0.572 56.465 55.803 0.149 0.000 1.031 519 Q CB 0.099 28.816 28.738 -0.036 0.000 1.326 519 Q HN 0.622 nan 8.270 nan 0.000 0.572 520 L N -0.845 120.209 121.223 -0.281 0.000 2.322 520 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 520 L C 0.415 177.172 176.870 -0.188 0.000 1.014 520 L CA -0.903 53.790 54.840 -0.244 0.000 0.815 520 L CB 0.434 42.280 42.059 -0.355 0.000 1.247 520 L HN 0.688 nan 8.230 nan 0.000 0.421 521 T N -1.712 112.776 114.554 -0.110 0.000 2.681 521 T HA 0.191 4.541 4.350 -0.000 0.000 0.333 521 T C 0.851 175.509 174.700 -0.070 0.000 1.049 521 T CA 0.170 62.223 62.100 -0.078 0.000 1.002 521 T CB 0.830 69.673 68.868 -0.042 0.000 1.161 521 T HN 0.653 nan 8.240 nan 0.000 0.519 522 E N 0.277 120.452 120.200 -0.043 0.000 2.057 522 E HA 0.264 4.614 4.350 -0.000 0.000 0.190 522 E C 2.267 178.870 176.600 0.005 0.000 0.969 522 E CA 1.123 57.508 56.400 -0.025 0.000 0.812 522 E CB -0.927 28.761 29.700 -0.020 0.000 0.777 522 E HN 0.765 nan 8.360 nan 0.000 0.455 523 A N 0.345 123.171 122.820 0.010 0.000 2.277 523 A HA -0.124 4.196 4.320 -0.000 0.000 0.208 523 A C 1.727 179.340 177.584 0.049 0.000 1.202 523 A CA 1.197 53.252 52.037 0.029 0.000 0.762 523 A CB -0.448 18.566 19.000 0.022 0.000 0.770 523 A HN 0.217 nan 8.150 nan 0.000 0.487 524 E N -0.394 119.831 120.200 0.040 0.000 2.065 524 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 524 E C 1.895 178.566 176.600 0.119 0.000 0.960 524 E CA 0.554 56.996 56.400 0.069 0.000 0.824 524 E CB 0.062 29.765 29.700 0.005 0.000 0.793 524 E HN 0.528 nan 8.360 nan 0.000 0.459 525 K N 1.000 121.437 120.400 0.062 0.000 1.973 525 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 525 K C 2.036 178.728 176.600 0.153 0.000 1.047 525 K CA 1.539 57.883 56.287 0.095 0.000 0.937 525 K CB -0.186 32.326 32.500 0.019 0.000 0.721 525 K HN -0.048 nan 8.250 nan 0.000 0.440 526 K N 1.103 121.564 120.400 0.101 0.000 2.293 526 K HA -0.249 4.071 4.320 -0.000 0.000 0.204 526 K C 2.256 178.925 176.600 0.116 0.000 1.045 526 K CA 1.415 57.761 56.287 0.098 0.000 0.933 526 K CB -0.084 32.453 32.500 0.060 0.000 0.736 526 K HN 0.278 nan 8.250 nan 0.000 0.463 527 Q N -0.224 119.657 119.800 0.136 0.000 2.163 527 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 527 Q C 1.720 177.831 176.000 0.186 0.000 0.954 527 Q CA 0.637 56.522 55.803 0.137 0.000 0.851 527 Q CB 0.043 28.859 28.738 0.130 0.000 0.928 527 Q HN 0.569 nan 8.270 nan 0.000 0.459 528 W N 0.901 122.235 121.300 0.057 0.000 2.467 528 W HA -0.066 4.594 4.660 -0.000 0.000 0.275 528 W C 1.168 177.838 176.519 0.252 0.000 1.239 528 W CA 0.653 58.008 57.345 0.016 0.000 1.266 528 W CB 0.070 29.442 29.460 -0.146 0.000 1.112 528 W HN 0.118 nan 8.180 nan 0.000 0.576 529 I N 1.361 122.117 120.570 0.310 0.000 2.676 529 I HA -0.203 3.967 4.170 -0.000 0.000 0.259 529 I C 2.540 178.783 176.117 0.210 0.000 1.194 529 I CA 1.183 62.727 61.300 0.407 0.000 1.473 529 I CB -0.724 37.450 38.000 0.290 0.000 1.096 529 I HN -0.086 nan 8.210 nan 0.000 0.443 530 A N 0.575 123.464 122.820 0.115 0.000 2.123 530 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 530 A C 2.088 179.651 177.584 -0.035 0.000 1.152 530 A CA 0.711 52.764 52.037 0.027 0.000 0.728 530 A CB -0.228 18.788 19.000 0.028 0.000 0.814 530 A HN 0.287 nan 8.150 nan 0.000 0.464 531 K N -0.774 119.597 120.400 -0.049 0.000 2.487 531 K HA 0.118 4.438 4.320 -0.000 0.000 0.192 531 K C -0.143 176.318 176.600 -0.232 0.000 1.027 531 K CA -0.205 56.000 56.287 -0.136 0.000 1.054 531 K CB -0.117 32.238 32.500 -0.242 0.000 0.824 531 K HN 0.354 nan 8.250 nan 0.000 0.510 532 L N 1.877 122.891 121.223 -0.348 0.000 2.331 532 L HA 0.121 4.461 4.340 -0.000 0.000 0.278 532 L C 0.010 176.640 176.870 -0.399 0.000 1.106 532 L CA 0.561 54.969 54.840 -0.720 0.000 0.824 532 L CB 0.776 42.144 42.059 -1.152 0.000 1.142 532 L HN 0.108 nan 8.230 nan 0.000 0.443 533 T N 1.694 116.035 114.554 -0.355 0.000 2.883 533 T HA 0.743 5.093 4.350 -0.000 0.000 0.296 533 T C 0.031 174.624 174.700 -0.179 0.000 1.117 533 T CA -0.502 61.463 62.100 -0.226 0.000 1.006 533 T CB 1.372 70.141 68.868 -0.164 0.000 1.191 533 T HN 1.623 nan 8.240 nan 0.000 0.508 534 A N 0.384 123.104 122.820 -0.167 0.000 2.251 534 A HA 0.096 4.416 4.320 -0.000 0.000 0.283 534 A C 0.134 177.717 177.584 -0.001 0.000 1.415 534 A CA 0.321 52.303 52.037 -0.093 0.000 0.742 534 A CB -2.367 16.683 19.000 0.083 0.000 1.151 534 A HN 1.299 nan 8.150 nan 0.000 0.354 535 V N 1.671 121.538 119.914 -0.078 0.000 2.630 535 V HA 0.659 4.778 4.120 -0.000 0.000 0.305 535 V C 0.770 176.909 176.094 0.076 0.000 1.046 535 V CA -0.088 62.210 62.300 -0.003 0.000 0.934 535 V CB 2.099 33.914 31.823 -0.014 0.000 1.003 535 V HN 0.801 nan 8.190 nan 0.000 0.451 536 S N 4.425 120.185 115.700 0.100 0.000 2.565 536 S HA 0.785 5.255 4.470 -0.000 0.000 0.290 536 S C -0.630 173.962 174.600 -0.013 0.000 1.150 536 S CA -0.519 57.740 58.200 0.098 0.000 1.058 536 S CB 1.425 64.649 63.200 0.040 0.000 1.032 536 S HN 0.668 nan 8.310 nan 0.000 0.510 537 L N 1.897 123.089 121.223 -0.052 0.000 2.470 537 L HA 0.677 5.017 4.340 -0.000 0.000 0.268 537 L C -0.918 175.919 176.870 -0.056 0.000 0.964 537 L CA -0.141 54.602 54.840 -0.161 0.000 0.839 537 L CB 1.980 43.824 42.059 -0.359 0.000 1.276 537 L HN 0.685 nan 8.230 nan 0.000 0.403 538 S N 2.567 118.238 115.700 -0.047 0.000 2.503 538 S HA 0.703 5.173 4.470 -0.000 0.000 0.301 538 S C -0.927 173.662 174.600 -0.018 0.000 1.087 538 S CA -0.328 57.874 58.200 0.003 0.000 1.042 538 S CB 1.874 65.087 63.200 0.022 0.000 1.043 538 S HN 0.717 nan 8.310 nan 0.000 0.489 539 S N 1.318 116.979 115.700 -0.065 0.000 2.566 539 S HA 0.409 4.879 4.470 -0.000 0.000 0.298 539 S C 0.220 174.696 174.600 -0.206 0.000 1.083 539 S CA -0.662 57.431 58.200 -0.178 0.000 0.978 539 S CB 1.135 64.016 63.200 -0.532 0.000 1.073 539 S HN 0.862 nan 8.310 nan 0.000 0.491 540 D N 1.814 122.104 120.400 -0.183 0.000 2.339 540 D HA 0.314 4.954 4.640 -0.000 0.000 0.217 540 D C 0.299 176.389 176.300 -0.350 0.000 1.050 540 D CA 0.018 53.904 54.000 -0.189 0.000 0.856 540 D CB 0.225 40.996 40.800 -0.049 0.000 0.922 540 D HN 0.505 nan 8.370 nan 0.000 0.518 541 A N 0.137 122.711 122.820 -0.409 0.000 2.606 541 A HA 0.518 4.838 4.320 -0.000 0.000 0.293 541 A C -0.602 176.610 177.584 -0.620 0.000 1.082 541 A CA -1.123 50.577 52.037 -0.561 0.000 0.685 541 A CB 0.550 19.225 19.000 -0.542 0.000 1.284 541 A HN 0.123 nan 8.150 nan 0.000 0.408 542 F N -0.540 119.173 119.950 -0.397 0.000 2.586 542 F HA 0.584 5.111 4.527 -0.000 0.000 0.344 542 F C -0.624 174.923 175.800 -0.421 0.000 1.188 542 F CA -0.630 57.117 58.000 -0.422 0.000 1.359 542 F CB -0.255 38.574 39.000 -0.285 0.000 1.129 542 F HN 0.260 nan 8.300 nan 0.000 0.609 543 F N 2.551 122.634 119.950 0.222 0.000 2.411 543 F HA 0.374 4.901 4.527 -0.000 0.000 0.355 543 F C -1.561 174.325 175.800 0.143 0.000 1.117 543 F CA -2.222 55.847 58.000 0.116 0.000 1.139 543 F CB 0.872 39.917 39.000 0.076 0.000 1.120 543 F HN 0.279 nan 8.300 nan 0.000 0.493 544 P HA -0.108 nan 4.420 nan 0.000 0.213 544 P C -0.406 176.730 177.300 -0.273 0.000 1.170 544 P CA 1.632 64.600 63.100 -0.221 0.000 0.893 544 P CB 0.240 31.531 31.700 -0.682 0.000 0.784 545 F N -2.621 117.437 119.950 0.180 0.000 2.679 545 F HA 0.419 4.946 4.527 -0.000 0.000 0.341 545 F C 1.832 177.674 175.800 0.071 0.000 1.095 545 F CA -1.223 56.840 58.000 0.105 0.000 1.004 545 F CB 0.013 39.052 39.000 0.066 0.000 1.388 545 F HN -0.324 nan 8.300 nan 0.000 0.505 546 R N -0.056 120.600 120.500 0.260 0.000 2.236 546 R HA -0.039 4.301 4.340 -0.000 0.000 0.208 546 R C 0.644 176.972 176.300 0.047 0.000 1.036 546 R CA 1.374 57.532 56.100 0.098 0.000 1.001 546 R CB -0.742 29.597 30.300 0.066 0.000 0.896 546 R HN 0.613 nan 8.270 nan 0.000 0.464 547 D N 1.575 122.041 120.400 0.110 0.000 2.172 547 D HA -0.245 4.395 4.640 -0.000 0.000 0.196 547 D C 1.027 177.332 176.300 0.009 0.000 0.999 547 D CA 1.201 55.243 54.000 0.071 0.000 0.856 547 D CB -0.663 40.215 40.800 0.130 0.000 0.934 547 D HN 0.308 nan 8.370 nan 0.000 0.453 548 N N 0.444 119.121 118.700 -0.039 0.000 2.166 548 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 548 N C 2.060 177.382 175.510 -0.312 0.000 1.019 548 N CA 1.188 54.118 53.050 -0.200 0.000 0.856 548 N CB -0.054 38.175 38.487 -0.431 0.000 0.993 548 N HN 0.228 nan 8.380 nan 0.000 0.426 549 V N 1.809 121.551 119.914 -0.287 0.000 2.591 549 V HA -0.119 4.001 4.120 -0.000 0.000 0.249 549 V C 1.677 177.700 176.094 -0.119 0.000 1.053 549 V CA 1.323 63.481 62.300 -0.237 0.000 1.068 549 V CB -0.404 31.318 31.823 -0.168 0.000 0.689 549 V HN 0.152 nan 8.190 nan 0.000 0.462 550 D N 0.558 120.917 120.400 -0.069 0.000 2.097 550 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 550 D C 2.237 178.526 176.300 -0.019 0.000 0.984 550 D CA 1.330 55.310 54.000 -0.034 0.000 0.826 550 D CB -0.175 40.618 40.800 -0.012 0.000 0.973 550 D HN 0.271 nan 8.370 nan 0.000 0.460 551 R N 1.643 122.137 120.500 -0.009 0.000 2.088 551 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 551 R C 2.177 178.506 176.300 0.049 0.000 1.136 551 R CA 2.137 58.254 56.100 0.028 0.000 0.926 551 R CB -1.094 29.237 30.300 0.051 0.000 0.837 551 R HN 0.074 nan 8.270 nan 0.000 0.429 552 A N 0.597 123.439 122.820 0.037 0.000 1.958 552 A HA -0.291 4.029 4.320 -0.000 0.000 0.221 552 A C 2.113 179.723 177.584 0.044 0.000 1.178 552 A CA 2.320 54.410 52.037 0.087 0.000 0.642 552 A CB -0.692 18.261 19.000 -0.078 0.000 0.816 552 A HN 0.401 nan 8.150 nan 0.000 0.453 553 K N -0.213 120.175 120.400 -0.020 0.000 2.002 553 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 553 K C 2.094 178.682 176.600 -0.020 0.000 1.048 553 K CA 1.781 58.044 56.287 -0.040 0.000 0.930 553 K CB -0.434 32.035 32.500 -0.051 0.000 0.714 553 K HN 0.425 nan 8.250 nan 0.000 0.438 554 R N -0.334 120.165 120.500 -0.002 0.000 2.189 554 R HA -0.208 4.132 4.340 -0.000 0.000 0.252 554 R C 2.080 178.385 176.300 0.008 0.000 1.134 554 R CA 1.976 58.081 56.100 0.008 0.000 0.954 554 R CB -0.651 29.663 30.300 0.023 0.000 0.890 554 R HN 0.299 nan 8.270 nan 0.000 0.443 555 I N -0.587 119.995 120.570 0.020 0.000 3.444 555 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 555 I C 1.035 177.122 176.117 -0.050 0.000 1.302 555 I CA 1.332 62.634 61.300 0.002 0.000 1.368 555 I CB 0.387 38.379 38.000 -0.013 0.000 1.048 555 I HN 0.455 nan 8.210 nan 0.000 0.487 556 G N -0.514 108.249 108.800 -0.061 0.000 2.192 556 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 556 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 556 G C 0.333 175.159 174.900 -0.123 0.000 0.999 556 G CA 0.006 45.030 45.100 -0.126 0.000 0.659 556 G HN 0.193 nan 8.290 nan 0.000 0.503 557 V N 1.207 121.086 119.914 -0.059 0.000 2.673 557 V HA 0.306 4.426 4.120 -0.000 0.000 0.303 557 V C 1.309 177.266 176.094 -0.229 0.000 1.046 557 V CA 1.642 63.885 62.300 -0.096 0.000 1.126 557 V CB 1.639 33.429 31.823 -0.054 0.000 0.934 557 V HN 0.497 nan 8.190 nan 0.000 0.487 558 Q N 2.357 121.912 119.800 -0.409 0.000 2.143 558 Q HA 0.281 4.621 4.340 -0.000 0.000 0.242 558 Q C -0.981 174.494 176.000 -0.876 0.000 0.790 558 Q CA 0.125 55.503 55.803 -0.707 0.000 0.954 558 Q CB 0.911 29.047 28.738 -1.004 0.000 1.155 558 Q HN 0.699 nan 8.270 nan 0.000 0.474 559 F N 0.705 120.608 119.950 -0.079 0.000 2.547 559 F HA 0.572 5.099 4.527 -0.000 0.000 0.316 559 F C -0.446 175.305 175.800 -0.081 0.000 1.121 559 F CA -0.797 57.150 58.000 -0.089 0.000 0.911 559 F CB 1.477 40.401 39.000 -0.127 0.000 1.179 559 F HN -0.178 nan 8.300 nan 0.000 0.443 560 I N 3.327 123.968 120.570 0.118 0.000 2.569 560 I HA 0.523 4.693 4.170 -0.000 0.000 0.290 560 I C -1.316 174.886 176.117 0.142 0.000 1.088 560 I CA -1.112 60.249 61.300 0.101 0.000 1.047 560 I CB 2.367 40.433 38.000 0.109 0.000 1.237 560 I HN 0.409 nan 8.210 nan 0.000 0.421 561 V N 5.744 125.742 119.914 0.140 0.000 2.628 561 V HA 0.992 5.112 4.120 -0.000 0.000 0.306 561 V C -0.577 175.596 176.094 0.130 0.000 1.045 561 V CA -0.002 62.409 62.300 0.184 0.000 0.905 561 V CB 1.616 33.599 31.823 0.267 0.000 0.997 561 V HN 0.979 nan 8.190 nan 0.000 0.436 562 A N 6.241 129.121 122.820 0.101 0.000 2.583 562 A HA 0.819 5.139 4.320 -0.000 0.000 0.292 562 A C -3.345 174.157 177.584 -0.136 0.000 1.045 562 A CA -1.059 50.937 52.037 -0.068 0.000 0.672 562 A CB 1.605 20.515 19.000 -0.150 0.000 1.283 562 A HN 0.620 nan 8.150 nan 0.000 0.419 563 P HA 0.411 nan 4.420 nan 0.000 0.276 563 P C -0.044 177.021 177.300 -0.391 0.000 1.252 563 P CA -0.096 62.866 63.100 -0.230 0.000 0.802 563 P CB 1.046 32.624 31.700 -0.203 0.000 1.035 564 S N -0.407 115.067 115.700 -0.376 0.000 2.713 564 S HA 0.734 5.204 4.470 -0.000 0.000 0.283 564 S C 0.863 175.334 174.600 -0.214 0.000 1.161 564 S CA 0.082 57.996 58.200 -0.477 0.000 0.999 564 S CB 1.029 64.130 63.200 -0.165 0.000 1.039 564 S HN 0.805 nan 8.310 nan 0.000 0.548 565 G N -0.378 108.228 108.800 -0.324 0.000 2.672 565 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.197 565 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.197 565 G C 0.107 174.353 174.900 -1.090 0.000 0.995 565 G CA -0.019 44.771 45.100 -0.516 0.000 0.754 565 G HN 1.044 nan 8.290 nan 0.000 0.505 566 S N 0.969 115.960 115.700 -1.182 0.000 2.533 566 S HA 0.535 5.005 4.470 -0.000 0.000 0.282 566 S C 1.686 176.044 174.600 -0.404 0.000 1.304 566 S CA 0.886 58.490 58.200 -0.993 0.000 1.063 566 S CB 1.070 64.076 63.200 -0.322 0.000 0.881 566 S HN 1.494 nan 8.310 nan 0.000 0.493 567 A N 3.917 126.569 122.820 -0.280 0.000 2.248 567 A HA 0.305 4.625 4.320 -0.000 0.000 0.210 567 A C 1.543 179.126 177.584 -0.002 0.000 1.174 567 A CA 1.058 53.035 52.037 -0.101 0.000 0.750 567 A CB -0.526 18.451 19.000 -0.038 0.000 0.780 567 A HN 1.129 nan 8.150 nan 0.000 0.478 568 A N -1.334 121.500 122.820 0.023 0.000 2.571 568 A HA 0.325 4.645 4.320 -0.000 0.000 0.274 568 A C 0.999 178.640 177.584 0.096 0.000 1.196 568 A CA 0.411 52.519 52.037 0.117 0.000 0.957 568 A CB -0.005 19.164 19.000 0.283 0.000 1.150 568 A HN 0.222 nan 8.150 nan 0.000 0.539 569 D N 0.850 121.277 120.400 0.045 0.000 2.254 569 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 569 D C 1.644 178.009 176.300 0.108 0.000 0.998 569 D CA 1.300 55.367 54.000 0.112 0.000 0.885 569 D CB 0.246 41.107 40.800 0.102 0.000 0.915 569 D HN 0.433 nan 8.370 nan 0.000 0.460 570 E N -0.368 119.871 120.200 0.065 0.000 2.112 570 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 570 E C 2.364 178.991 176.600 0.045 0.000 0.979 570 E CA 0.267 56.692 56.400 0.043 0.000 0.814 570 E CB -0.034 29.682 29.700 0.027 0.000 0.762 570 E HN 0.213 nan 8.360 nan 0.000 0.460 571 V N 0.873 120.825 119.914 0.064 0.000 2.488 571 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 571 V C 2.543 178.677 176.094 0.066 0.000 1.046 571 V CA 0.887 63.222 62.300 0.058 0.000 1.053 571 V CB -0.504 31.361 31.823 0.071 0.000 0.679 571 V HN 0.022 nan 8.190 nan 0.000 0.458 572 V N 0.355 120.330 119.914 0.102 0.000 2.233 572 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 572 V C 2.264 178.397 176.094 0.064 0.000 1.050 572 V CA 2.373 64.738 62.300 0.109 0.000 1.010 572 V CB -0.592 31.351 31.823 0.201 0.000 0.637 572 V HN 0.404 nan 8.190 nan 0.000 0.444 573 I N 0.122 120.722 120.570 0.050 0.000 2.091 573 I HA -0.299 3.871 4.170 -0.000 0.000 0.239 573 I C 2.597 178.709 176.117 -0.009 0.000 1.061 573 I CA 2.182 63.477 61.300 -0.008 0.000 1.317 573 I CB -0.456 37.518 38.000 -0.044 0.000 1.031 573 I HN 0.335 nan 8.210 nan 0.000 0.401 574 E N 1.020 121.220 120.200 -0.001 0.000 2.409 574 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 574 E C 1.822 178.418 176.600 -0.007 0.000 1.024 574 E CA 1.034 57.431 56.400 -0.006 0.000 0.861 574 E CB -0.045 29.654 29.700 -0.003 0.000 0.788 574 E HN 0.460 nan 8.360 nan 0.000 0.521 575 A N -0.609 122.210 122.820 -0.001 0.000 1.898 575 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 575 A C 2.393 179.963 177.584 -0.023 0.000 1.183 575 A CA 1.163 53.195 52.037 -0.008 0.000 0.622 575 A CB -0.723 18.276 19.000 -0.001 0.000 0.824 575 A HN 0.471 nan 8.150 nan 0.000 0.444 576 C N 0.009 119.295 119.300 -0.024 0.000 2.457 576 C HA -0.038 4.422 4.460 -0.000 0.000 0.278 576 C C 2.600 177.567 174.990 -0.038 0.000 1.309 576 C CA 0.844 59.840 59.018 -0.036 0.000 1.735 576 C CB -1.358 26.365 27.740 -0.028 0.000 1.992 576 C HN 0.608 nan 8.230 nan 0.000 0.493 577 N N 1.467 120.150 118.700 -0.029 0.000 2.120 577 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 577 N C 1.610 177.103 175.510 -0.028 0.000 1.024 577 N CA 1.513 54.547 53.050 -0.027 0.000 0.852 577 N CB -0.653 37.820 38.487 -0.022 0.000 1.003 577 N HN 0.785 nan 8.380 nan 0.000 0.424 578 E N 0.427 120.612 120.200 -0.026 0.000 2.512 578 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 578 E C 0.973 177.553 176.600 -0.033 0.000 1.083 578 E CA 0.444 56.829 56.400 -0.025 0.000 0.873 578 E CB -0.039 29.649 29.700 -0.020 0.000 0.897 578 E HN 0.324 nan 8.360 nan 0.000 0.514 579 L N -0.570 120.628 121.223 -0.042 0.000 3.259 579 L HA 0.358 4.698 4.340 -0.000 0.000 0.292 579 L C 1.118 177.946 176.870 -0.071 0.000 1.219 579 L CA 0.075 54.882 54.840 -0.054 0.000 1.035 579 L CB 0.910 42.934 42.059 -0.058 0.000 1.424 579 L HN 0.372 nan 8.230 nan 0.000 0.603 580 G N 1.440 110.202 108.800 -0.064 0.000 2.168 580 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 580 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 580 G C 0.300 175.137 174.900 -0.106 0.000 0.977 580 G CA 0.136 45.191 45.100 -0.075 0.000 0.659 580 G HN 0.315 nan 8.290 nan 0.000 0.533 581 I N 1.877 122.384 120.570 -0.105 0.000 2.441 581 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 581 I C 0.725 176.804 176.117 -0.063 0.000 1.049 581 I CA -0.094 61.128 61.300 -0.130 0.000 1.381 581 I CB 1.035 38.966 38.000 -0.115 0.000 1.409 581 I HN 0.002 nan 8.210 nan 0.000 0.523 582 T N 7.726 122.259 114.554 -0.035 0.000 2.737 582 T HA 0.348 4.698 4.350 -0.000 0.000 0.296 582 T C -0.338 174.410 174.700 0.080 0.000 0.922 582 T CA -0.253 61.890 62.100 0.072 0.000 1.079 582 T CB 0.590 69.600 68.868 0.236 0.000 0.892 582 T HN 0.197 nan 8.240 nan 0.000 0.514 583 L N 5.450 126.701 121.223 0.048 0.000 2.365 583 L HA 0.710 5.050 4.340 -0.000 0.000 0.273 583 L C -1.157 175.748 176.870 0.058 0.000 1.000 583 L CA -0.826 54.049 54.840 0.059 0.000 0.819 583 L CB 1.117 43.192 42.059 0.027 0.000 1.284 583 L HN 0.598 nan 8.230 nan 0.000 0.418 584 I N 4.028 124.676 120.570 0.131 0.000 2.530 584 I HA 0.433 4.603 4.170 -0.000 0.000 0.297 584 I C -0.567 175.724 176.117 0.290 0.000 1.011 584 I CA -0.645 60.755 61.300 0.167 0.000 1.107 584 I CB 1.818 39.955 38.000 0.228 0.000 1.285 584 I HN 0.591 nan 8.210 nan 0.000 0.436 585 H N 2.404 121.517 119.070 0.071 0.000 2.572 585 H HA 0.552 5.108 4.556 -0.000 0.000 0.359 585 H C -0.603 174.735 175.328 0.017 0.000 1.134 585 H CA -0.668 55.405 56.048 0.042 0.000 1.187 585 H CB 2.420 32.200 29.762 0.030 0.000 1.597 585 H HN 0.678 nan 8.280 nan 0.000 0.524 586 T N -0.617 113.970 114.554 0.056 0.000 2.888 586 T HA 0.212 4.562 4.350 -0.000 0.000 0.288 586 T C 0.469 175.136 174.700 -0.054 0.000 1.063 586 T CA -0.913 61.179 62.100 -0.013 0.000 1.010 586 T CB 1.723 70.558 68.868 -0.054 0.000 1.214 586 T HN 0.490 nan 8.240 nan 0.000 0.533 587 N N -0.595 118.066 118.700 -0.065 0.000 2.282 587 N HA 0.144 4.884 4.740 -0.000 0.000 0.185 587 N C 0.018 175.468 175.510 -0.100 0.000 1.099 587 N CA -0.111 52.896 53.050 -0.072 0.000 0.878 587 N CB 0.069 38.523 38.487 -0.056 0.000 0.993 587 N HN 0.506 nan 8.380 nan 0.000 0.481 588 L N 2.391 123.547 121.223 -0.112 0.000 2.456 588 L HA 0.128 4.468 4.340 -0.000 0.000 0.277 588 L C 0.579 177.341 176.870 -0.180 0.000 1.124 588 L CA 0.172 54.931 54.840 -0.136 0.000 0.880 588 L CB 0.074 42.052 42.059 -0.135 0.000 1.192 588 L HN -0.064 nan 8.230 nan 0.000 0.463 589 R N 4.209 124.577 120.500 -0.219 0.000 2.573 589 R HA 0.521 4.861 4.340 -0.000 0.000 0.272 589 R C -0.369 175.748 176.300 -0.306 0.000 1.009 589 R CA -0.656 55.241 56.100 -0.340 0.000 1.059 589 R CB 0.793 30.813 30.300 -0.467 0.000 1.112 589 R HN 0.798 nan 8.270 nan 0.000 0.517 590 L N 3.781 124.800 121.223 -0.341 0.000 3.288 590 L HA 0.323 4.663 4.340 -0.000 0.000 0.293 590 L C -0.784 176.060 176.870 -0.044 0.000 1.294 590 L CA -0.563 54.162 54.840 -0.191 0.000 1.006 590 L CB 0.304 42.269 42.059 -0.157 0.000 1.407 590 L HN 0.505 nan 8.230 nan 0.000 0.592 591 F N 0.428 120.315 119.950 -0.104 0.000 2.608 591 F HA 0.097 4.624 4.527 -0.000 0.000 0.380 591 F C 0.783 176.526 175.800 -0.096 0.000 1.083 591 F CA -0.072 57.858 58.000 -0.117 0.000 1.266 591 F CB -0.194 38.765 39.000 -0.069 0.000 1.076 591 F HN 0.143 nan 8.300 nan 0.000 0.574 592 H N 3.397 122.383 119.070 -0.141 0.000 2.667 592 H HA 0.514 5.070 4.556 -0.000 0.000 0.353 592 H C -1.178 173.892 175.328 -0.430 0.000 1.072 592 H CA -0.444 55.500 56.048 -0.174 0.000 1.214 592 H CB 0.820 30.529 29.762 -0.088 0.000 1.600 592 H HN 0.582 nan 8.280 nan 0.000 0.527 593 H N 0.000 118.762 119.070 -0.513 0.000 2.539 593 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 593 H CA 0.000 55.777 56.048 -0.451 0.000 1.023 593 H CB 0.000 29.647 29.762 -0.191 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496