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 3qdk_1_C DATA FIRST_RESID 5 DATA SEQUENCE KYTIGVDYGT ESGRAVLIDL SNGQELADHV TPYRHGVIDQ YLPNTNIKLG DATA SEQUENCE HEWALQHPLD YVEVLTTSVP AVMKEXXXXX DDVIGIGVDF TACTMLPVDE DATA SEQUENCE EGQPLCLLAQ YKDNPHSWVK LWKHHAAQDK ANAINEMAEK RGEAFLPRYG DATA SEQUENCE GKISSEWMIA KVWQILDEAE DVYNRTDQFL EATDWIVSQM TGKIVKNSCT DATA SEQUENCE AGYKAIWHKR EGYPSNEFFK ALDPRLEHLT TTKLRGDIVP LGERAGGLLP DATA SEQUENCE EMAEKMGLNP GIAVAVGNVD AHAAVPAVGV TTPGKLVMAM GTSICHMLLG DATA SEQUENCE EKEQEVEGMC GVVEDGIIPG YLGYEAGQSA VGDIFAWFVK HGVSAATFDE DATA SEQUENCE AQEKGVNVHA LLEEKASQLR PGESGLLALD WWNGNRSILV DTELSGMLLG DATA SEQUENCE YTLQTKPEEI YRALLEATAF GTRAIVDAFH GRGVEVHELY ACGGLPQKNH DATA SEQUENCE LLMQIFADVT NREIKVAASK QTPALGAAMF ASVAAGSEVG GYDSIEEAAK DATA SEQUENCE KMGRVKDETF KPIPEHVAIY EKLYQEYVTL HDYFGRGAND VMKRLKALKS DATA SEQUENCE IQHR 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.200 176.600 -0.667 0.000 0.988 5 K CA 0.000 56.050 56.287 -0.396 0.000 0.838 5 K CB 0.000 32.356 32.500 -0.239 0.000 1.064 6 Y N -1.053 119.249 120.300 0.004 0.000 2.638 6 Y HA 0.672 5.222 4.550 -0.000 0.000 0.335 6 Y C -0.277 175.635 175.900 0.020 0.000 1.155 6 Y CA -0.839 57.271 58.100 0.016 0.000 1.046 6 Y CB 2.592 41.059 38.460 0.013 0.000 1.303 6 Y HN 0.625 nan 8.280 nan 0.000 0.460 7 T N -1.132 113.554 114.554 0.221 0.000 2.883 7 T HA 0.815 5.165 4.350 0.000 0.000 0.301 7 T C -1.284 173.484 174.700 0.114 0.000 1.158 7 T CA -0.724 61.458 62.100 0.136 0.000 1.007 7 T CB 1.641 70.578 68.868 0.115 0.000 1.186 7 T HN 0.503 nan 8.240 nan 0.000 0.499 8 I N 1.011 121.629 120.570 0.080 0.000 2.441 8 I HA 0.636 4.806 4.170 0.000 0.000 0.295 8 I C 0.580 176.730 176.117 0.055 0.000 0.994 8 I CA -0.925 60.406 61.300 0.053 0.000 1.144 8 I CB 1.960 39.978 38.000 0.030 0.000 1.314 8 I HN 0.985 nan 8.210 nan 0.000 0.445 9 G N 5.227 114.051 108.800 0.040 0.000 2.487 9 G HA2 0.578 4.538 3.960 0.000 0.000 0.314 9 G HA3 0.578 4.538 3.960 0.000 0.000 0.314 9 G C -1.021 173.875 174.900 -0.008 0.000 1.267 9 G CA -0.316 44.808 45.100 0.040 0.000 0.937 9 G HN 0.329 nan 8.290 nan 0.000 0.481 10 V N 2.745 122.645 119.914 -0.023 0.000 2.311 10 V HA 0.212 4.332 4.120 0.000 0.000 0.275 10 V C -0.519 175.448 176.094 -0.211 0.000 1.022 10 V CA -0.825 61.380 62.300 -0.157 0.000 0.830 10 V CB 1.297 32.999 31.823 -0.202 0.000 1.012 10 V HN 0.780 nan 8.190 nan 0.000 0.452 11 D N 4.111 124.373 120.400 -0.229 0.000 2.411 11 D HA 0.199 4.839 4.640 0.000 0.000 0.225 11 D C -0.710 175.415 176.300 -0.292 0.000 1.156 11 D CA -0.196 53.697 54.000 -0.177 0.000 0.874 11 D CB 0.282 41.021 40.800 -0.102 0.000 1.034 11 D HN 0.448 nan 8.370 nan 0.000 0.502 12 Y N 2.561 122.705 120.300 -0.260 0.000 2.504 12 Y HA 0.434 4.984 4.550 0.000 0.000 0.351 12 Y C 1.310 177.046 175.900 -0.274 0.000 0.988 12 Y CA -0.213 57.631 58.100 -0.427 0.000 1.239 12 Y CB 1.266 38.914 38.460 -1.353 0.000 1.128 12 Y HN 0.413 nan 8.280 nan 0.000 0.525 13 G N 1.222 110.050 108.800 0.046 0.000 2.531 13 G HA2 0.217 4.177 3.960 0.000 0.000 0.281 13 G HA3 0.217 4.177 3.960 0.000 0.000 0.281 13 G C 0.712 175.828 174.900 0.360 0.000 1.382 13 G CA -0.480 44.689 45.100 0.115 0.000 1.045 13 G HN 0.495 nan 8.290 nan 0.000 0.533 14 T N 0.114 114.899 114.554 0.384 0.000 2.857 14 T HA -0.003 4.347 4.350 0.000 0.000 0.266 14 T C 1.799 176.849 174.700 0.583 0.000 1.048 14 T CA 1.304 63.740 62.100 0.560 0.000 1.139 14 T CB 0.048 69.263 68.868 0.578 0.000 0.874 14 T HN 0.451 nan 8.240 nan 0.000 0.455 15 E N 1.151 121.558 120.200 0.345 0.000 2.340 15 E HA 0.165 4.515 4.350 0.000 0.000 0.198 15 E C 0.769 177.251 176.600 -0.196 0.000 0.961 15 E CA 0.265 56.803 56.400 0.231 0.000 0.905 15 E CB 0.474 30.249 29.700 0.126 0.000 0.884 15 E HN 0.549 nan 8.360 nan 0.000 0.491 16 S N -0.790 114.573 115.700 -0.562 0.000 2.565 16 S HA 0.665 5.135 4.470 0.000 0.000 0.269 16 S C -0.106 174.052 174.600 -0.737 0.000 1.153 16 S CA -0.709 56.900 58.200 -0.986 0.000 0.835 16 S CB 1.908 64.860 63.200 -0.413 0.000 1.122 16 S HN 0.070 nan 8.310 nan 0.000 0.462 17 G N -0.028 108.416 108.800 -0.592 0.000 2.410 17 G HA2 0.709 4.669 3.960 0.000 0.000 0.330 17 G HA3 0.709 4.669 3.960 0.000 0.000 0.330 17 G C -0.900 173.827 174.900 -0.289 0.000 1.142 17 G CA -1.035 43.866 45.100 -0.332 0.000 0.902 17 G HN 0.892 nan 8.290 nan 0.000 0.491 18 R N 0.478 120.790 120.500 -0.315 0.000 2.533 18 R HA 0.619 4.959 4.340 0.000 0.000 0.288 18 R C -0.697 175.501 176.300 -0.169 0.000 1.039 18 R CA -0.555 55.429 56.100 -0.193 0.000 0.909 18 R CB 1.547 31.756 30.300 -0.153 0.000 1.195 18 R HN 0.756 nan 8.270 nan 0.000 0.438 19 A N 3.417 126.187 122.820 -0.084 0.000 2.306 19 A HA 0.652 4.972 4.320 0.000 0.000 0.314 19 A C -0.571 177.000 177.584 -0.021 0.000 1.164 19 A CA -0.453 51.552 52.037 -0.054 0.000 0.822 19 A CB 1.284 20.270 19.000 -0.024 0.000 1.130 19 A HN 0.846 nan 8.150 nan 0.000 0.496 20 V N 1.039 120.942 119.914 -0.018 0.000 2.686 20 V HA 0.700 4.820 4.120 0.000 0.000 0.306 20 V C -0.945 175.151 176.094 0.003 0.000 1.065 20 V CA -0.879 61.418 62.300 -0.006 0.000 0.894 20 V CB 1.223 33.043 31.823 -0.005 0.000 1.004 20 V HN 0.896 nan 8.190 nan 0.000 0.424 21 L N 6.139 127.357 121.223 -0.008 0.000 2.290 21 L HA 0.634 4.974 4.340 0.000 0.000 0.284 21 L C -0.460 176.437 176.870 0.045 0.000 1.078 21 L CA -0.009 54.823 54.840 -0.014 0.000 0.815 21 L CB 0.795 42.787 42.059 -0.112 0.000 1.162 21 L HN 0.645 nan 8.230 nan 0.000 0.435 22 I N 4.450 125.093 120.570 0.122 0.000 2.406 22 I HA 0.223 4.393 4.170 0.000 0.000 0.290 22 I C -0.141 176.158 176.117 0.303 0.000 0.999 22 I CA -0.609 60.791 61.300 0.166 0.000 1.124 22 I CB 1.360 39.426 38.000 0.111 0.000 1.289 22 I HN 0.568 nan 8.210 nan 0.000 0.441 23 D N 5.894 126.464 120.400 0.285 0.000 2.349 23 D HA -0.012 4.628 4.640 0.000 0.000 0.266 23 D C 0.997 177.328 176.300 0.052 0.000 1.293 23 D CA -0.218 53.898 54.000 0.194 0.000 0.926 23 D CB 1.064 41.962 40.800 0.162 0.000 1.090 23 D HN 0.293 nan 8.370 nan 0.000 0.502 24 L N 3.994 125.202 121.223 -0.025 0.000 2.450 24 L HA -0.161 4.179 4.340 0.000 0.000 0.224 24 L C 2.446 179.366 176.870 0.082 0.000 1.149 24 L CA 1.164 56.035 54.840 0.051 0.000 0.816 24 L CB -0.666 41.401 42.059 0.013 0.000 0.932 24 L HN 0.475 nan 8.230 nan 0.000 0.449 25 S N -0.674 115.027 115.700 0.002 0.000 2.425 25 S HA -0.056 4.414 4.470 0.000 0.000 0.225 25 S C 1.235 175.854 174.600 0.032 0.000 1.024 25 S CA 0.761 58.975 58.200 0.024 0.000 0.951 25 S CB -0.291 62.893 63.200 -0.027 0.000 0.796 25 S HN 0.763 nan 8.310 nan 0.000 0.498 26 N N -1.390 117.325 118.700 0.024 0.000 2.167 26 N HA 0.305 5.045 4.740 0.000 0.000 0.234 26 N C 0.971 176.491 175.510 0.016 0.000 1.312 26 N CA -0.005 53.055 53.050 0.017 0.000 0.861 26 N CB 0.568 39.065 38.487 0.017 0.000 1.217 26 N HN 0.437 nan 8.380 nan 0.000 0.504 27 G N 1.318 110.133 108.800 0.025 0.000 2.180 27 G HA2 -0.398 3.562 3.960 0.000 0.000 0.263 27 G HA3 -0.398 3.562 3.960 0.000 0.000 0.263 27 G C -0.080 174.841 174.900 0.034 0.000 0.989 27 G CA 0.728 45.841 45.100 0.022 0.000 0.692 27 G HN 0.602 nan 8.290 nan 0.000 0.526 28 Q N 0.665 120.494 119.800 0.047 0.000 2.306 28 Q HA 0.465 4.805 4.340 0.000 0.000 0.241 28 Q C 0.471 176.510 176.000 0.066 0.000 0.948 28 Q CA -0.395 55.438 55.803 0.050 0.000 0.886 28 Q CB 0.371 29.139 28.738 0.049 0.000 1.227 28 Q HN 0.563 nan 8.270 nan 0.000 0.457 29 E N 4.850 125.078 120.200 0.047 0.000 2.109 29 E HA 0.127 4.477 4.350 0.000 0.000 0.278 29 E C 0.108 176.728 176.600 0.033 0.000 0.954 29 E CA -0.248 56.176 56.400 0.041 0.000 0.779 29 E CB 0.815 30.529 29.700 0.023 0.000 1.093 29 E HN 0.753 nan 8.360 nan 0.000 0.401 30 L N -0.102 121.139 121.223 0.030 0.000 2.554 30 L HA 0.616 4.956 4.340 0.000 0.000 0.225 30 L C 0.490 177.351 176.870 -0.014 0.000 1.104 30 L CA -0.111 54.736 54.840 0.011 0.000 0.866 30 L CB 0.384 42.449 42.059 0.011 0.000 1.047 30 L HN 0.464 nan 8.230 nan 0.000 0.468 31 A N 1.033 123.841 122.820 -0.020 0.000 2.555 31 A HA 0.601 4.921 4.320 0.000 0.000 0.297 31 A C -1.866 175.715 177.584 -0.005 0.000 1.060 31 A CA -0.509 51.517 52.037 -0.018 0.000 0.710 31 A CB 1.129 20.104 19.000 -0.042 0.000 1.282 31 A HN 0.314 nan 8.150 nan 0.000 0.399 32 D N 1.096 121.502 120.400 0.011 0.000 2.645 32 D HA 0.621 5.261 4.640 0.000 0.000 0.228 32 D C -1.280 175.058 176.300 0.064 0.000 1.148 32 D CA -0.207 53.802 54.000 0.016 0.000 0.860 32 D CB 1.859 42.653 40.800 -0.011 0.000 1.548 32 D HN 0.569 nan 8.370 nan 0.000 0.460 33 H N 0.175 119.213 119.070 -0.054 0.000 3.087 33 H HA 0.404 4.960 4.556 0.000 0.000 0.348 33 H C -1.948 173.339 175.328 -0.068 0.000 1.092 33 H CA -0.620 55.397 56.048 -0.052 0.000 1.285 33 H CB 2.060 31.796 29.762 -0.043 0.000 1.875 33 H HN 0.334 nan 8.280 nan 0.000 0.512 34 V N 5.007 124.618 119.914 -0.505 0.000 2.495 34 V HA 0.576 4.696 4.120 0.000 0.000 0.298 34 V C -0.521 175.408 176.094 -0.276 0.000 1.031 34 V CA 0.031 62.156 62.300 -0.291 0.000 0.871 34 V CB 1.654 33.334 31.823 -0.239 0.000 0.988 34 V HN 0.910 nan 8.190 nan 0.000 0.432 35 T N 5.142 119.648 114.554 -0.080 0.000 2.770 35 T HA 0.686 5.036 4.350 0.000 0.000 0.283 35 T C -2.842 171.819 174.700 -0.064 0.000 0.988 35 T CA -2.121 59.983 62.100 0.006 0.000 0.957 35 T CB 1.470 70.413 68.868 0.125 0.000 0.930 35 T HN 0.575 nan 8.240 nan 0.000 0.443 36 P HA 0.191 nan 4.420 nan 0.000 0.271 36 P C -0.725 176.605 177.300 0.051 0.000 1.218 36 P CA -0.469 62.590 63.100 -0.069 0.000 0.780 36 P CB 0.115 31.803 31.700 -0.020 0.000 0.901 37 Y N 2.395 122.770 120.300 0.125 0.000 2.569 37 Y HA 0.052 4.602 4.550 0.000 0.000 0.332 37 Y C 2.069 178.022 175.900 0.089 0.000 1.120 37 Y CA 0.035 58.229 58.100 0.157 0.000 1.416 37 Y CB -0.026 38.567 38.460 0.221 0.000 1.210 37 Y HN 0.336 nan 8.280 nan 0.000 0.528 38 R N 1.455 122.075 120.500 0.200 0.000 2.133 38 R HA -0.215 4.125 4.340 0.000 0.000 0.245 38 R C 1.090 177.293 176.300 -0.162 0.000 1.137 38 R CA 1.888 57.954 56.100 -0.057 0.000 0.947 38 R CB -0.315 29.855 30.300 -0.216 0.000 0.865 38 R HN 0.804 nan 8.270 nan 0.000 0.437 39 H N -0.572 118.607 119.070 0.181 0.000 2.529 39 H HA 0.177 4.733 4.556 0.000 0.000 0.277 39 H C 1.409 176.842 175.328 0.175 0.000 1.004 39 H CA 0.385 56.539 56.048 0.176 0.000 1.167 39 H CB 0.239 30.139 29.762 0.229 0.000 1.445 39 H HN 0.374 nan 8.280 nan 0.000 0.554 40 G N 1.302 110.284 108.800 0.303 0.000 2.627 40 G HA2 -0.363 3.597 3.960 0.000 0.000 0.312 40 G HA3 -0.363 3.597 3.960 0.000 0.000 0.312 40 G C 0.113 175.177 174.900 0.273 0.000 1.299 40 G CA 0.415 45.696 45.100 0.301 0.000 0.989 40 G HN 0.244 nan 8.290 nan 0.000 0.547 41 V N 1.003 121.041 119.914 0.206 0.000 2.320 41 V HA 0.379 4.499 4.120 0.000 0.000 0.265 41 V C 0.421 176.576 176.094 0.102 0.000 1.048 41 V CA -0.327 62.065 62.300 0.154 0.000 0.865 41 V CB 0.973 32.872 31.823 0.127 0.000 1.043 41 V HN 0.515 nan 8.190 nan 0.000 0.474 42 I N 5.639 126.256 120.570 0.079 0.000 2.455 42 I HA 0.091 4.261 4.170 0.000 0.000 0.303 42 I C 0.838 176.961 176.117 0.009 0.000 1.180 42 I CA 0.516 61.824 61.300 0.013 0.000 1.469 42 I CB -0.120 37.825 38.000 -0.092 0.000 1.480 42 I HN 0.741 nan 8.210 nan 0.000 0.669 43 D N 1.735 122.152 120.400 0.027 0.000 2.500 43 D HA 0.150 4.790 4.640 0.000 0.000 0.217 43 D C 1.225 177.530 176.300 0.009 0.000 1.159 43 D CA 0.468 54.485 54.000 0.028 0.000 0.828 43 D CB 0.141 40.953 40.800 0.019 0.000 1.039 43 D HN 0.360 nan 8.370 nan 0.000 0.512 44 Q N -0.124 119.692 119.800 0.027 0.000 2.530 44 Q HA 0.410 4.750 4.340 0.000 0.000 0.198 44 Q C -0.120 175.844 176.000 -0.059 0.000 0.956 44 Q CA 0.536 56.372 55.803 0.055 0.000 0.870 44 Q CB 0.050 28.934 28.738 0.243 0.000 1.050 44 Q HN 0.331 nan 8.270 nan 0.000 0.604 45 Y N -1.329 118.903 120.300 -0.114 0.000 2.609 45 Y HA 0.611 5.161 4.550 0.000 0.000 0.342 45 Y C -0.187 175.580 175.900 -0.223 0.000 1.058 45 Y CA -1.797 56.209 58.100 -0.157 0.000 1.055 45 Y CB 1.816 40.209 38.460 -0.112 0.000 1.292 45 Y HN 0.305 nan 8.280 nan 0.000 0.476 46 L N 5.200 126.343 121.223 -0.133 0.000 2.455 46 L HA 0.191 4.531 4.340 0.000 0.000 0.272 46 L C -2.023 174.727 176.870 -0.200 0.000 1.174 46 L CA -1.669 52.948 54.840 -0.371 0.000 0.869 46 L CB 0.412 42.212 42.059 -0.432 0.000 1.130 46 L HN 0.322 nan 8.230 nan 0.000 0.474 47 P HA -0.036 nan 4.420 nan 0.000 0.265 47 P C 0.452 177.764 177.300 0.020 0.000 1.187 47 P CA 1.259 64.342 63.100 -0.029 0.000 0.766 47 P CB 0.500 32.243 31.700 0.072 0.000 0.820 48 N N -0.460 118.269 118.700 0.048 0.000 1.631 48 N HA -0.222 4.518 4.740 0.000 0.000 0.211 48 N C 0.757 176.273 175.510 0.010 0.000 1.018 48 N CA 1.973 55.052 53.050 0.048 0.000 4.261 48 N CB -2.725 nan 38.487 nan 0.000 0.669 48 N HN 0.866 nan 8.380 nan 0.000 0.246 49 T N -3.873 110.686 114.554 0.008 0.000 2.801 49 T HA 0.520 4.870 4.350 0.000 0.000 0.324 49 T C 1.088 175.786 174.700 -0.003 0.000 1.088 49 T CA 1.774 63.878 62.100 0.006 0.000 0.975 49 T CB 0.478 69.356 68.868 0.016 0.000 1.316 49 T HN 2.023 nan 8.240 nan 0.000 0.533 50 N N -0.777 117.948 118.700 0.040 0.000 2.238 50 N HA 0.324 5.064 4.740 0.000 0.000 0.235 50 N C 0.380 176.071 175.510 0.302 0.000 1.209 50 N CA -0.490 52.634 53.050 0.123 0.000 0.879 50 N CB -0.011 nan 38.487 nan 0.000 1.136 50 N HN 0.672 nan 8.380 nan 0.000 0.517 51 I N 2.637 123.290 120.570 0.138 0.000 2.574 51 I HA 0.135 4.305 4.170 0.000 0.000 0.291 51 I C 1.232 177.284 176.117 -0.108 0.000 1.131 51 I CA -0.275 61.024 61.300 -0.001 0.000 1.352 51 I CB -1.281 36.675 38.000 -0.072 0.000 1.431 51 I HN 0.526 nan 8.210 nan 0.000 0.543 52 K N 6.216 126.454 120.400 -0.270 0.000 2.397 52 K HA 0.249 4.569 4.320 0.000 0.000 0.265 52 K C -0.582 175.691 176.600 -0.544 0.000 0.982 52 K CA -0.086 55.788 56.287 -0.690 0.000 0.931 52 K CB 0.440 32.603 32.500 -0.561 0.000 0.943 52 K HN 0.493 nan 8.250 nan 0.000 0.501 53 L N 0.697 121.570 121.223 -0.584 0.000 2.342 53 L HA 0.647 4.987 4.340 0.000 0.000 0.271 53 L C 1.114 177.657 176.870 -0.545 0.000 1.008 53 L CA 0.035 54.532 54.840 -0.570 0.000 0.818 53 L CB 2.076 43.909 42.059 -0.377 0.000 1.296 53 L HN 0.956 nan 8.230 nan 0.000 0.427 54 G N 0.801 109.069 108.800 -0.886 0.000 2.712 54 G HA2 0.028 3.988 3.960 0.000 0.000 0.258 54 G HA3 0.028 3.988 3.960 0.000 0.000 0.258 54 G C -0.427 174.452 174.900 -0.036 0.000 1.241 54 G CA -0.265 44.516 45.100 -0.532 0.000 0.923 54 G HN 0.765 nan 8.290 nan 0.000 0.548 55 H N 0.113 119.214 119.070 0.052 0.000 2.683 55 H HA 0.136 4.693 4.556 0.000 0.000 0.339 55 H C 0.520 175.953 175.328 0.175 0.000 1.081 55 H CA 0.529 56.629 56.048 0.086 0.000 1.432 55 H CB 0.692 30.475 29.762 0.035 0.000 1.462 55 H HN 0.680 nan 8.280 nan 0.000 0.557 56 E N 2.074 121.999 120.200 -0.459 0.000 4.153 56 E HA -0.248 4.102 4.350 0.000 0.000 0.376 56 E C -0.595 175.823 176.600 -0.304 0.000 0.598 56 E CA 0.803 56.950 56.400 -0.421 0.000 1.343 56 E CB -1.494 27.973 29.700 -0.388 0.000 1.793 56 E HN 0.583 nan 8.360 nan 0.000 0.392 57 W N 1.345 122.460 121.300 -0.309 0.000 2.193 57 W HA 0.427 5.087 4.660 -0.000 0.000 0.338 57 W C 0.699 177.176 176.519 -0.069 0.000 1.310 57 W CA 0.958 58.223 57.345 -0.133 0.000 1.243 57 W CB 0.681 30.107 29.460 -0.056 0.000 1.165 57 W HN 0.198 nan 8.180 nan 0.000 0.566 58 A N 3.925 126.898 122.820 0.256 0.000 2.550 58 A HA 0.610 4.930 4.320 0.000 0.000 0.282 58 A C -1.566 176.059 177.584 0.068 0.000 1.071 58 A CA -0.582 51.496 52.037 0.069 0.000 0.838 58 A CB 0.079 19.011 19.000 -0.114 0.000 1.361 58 A HN 0.366 nan 8.150 nan 0.000 0.408 59 L N 0.536 121.799 121.223 0.066 0.000 2.299 59 L HA 0.831 5.171 4.340 0.000 0.000 0.268 59 L C 0.350 177.268 176.870 0.080 0.000 1.012 59 L CA -0.434 54.441 54.840 0.057 0.000 0.816 59 L CB 1.204 43.277 42.059 0.023 0.000 1.355 59 L HN 0.846 nan 8.230 nan 0.000 0.457 60 Q N -1.260 118.617 119.800 0.128 0.000 2.472 60 Q HA 0.295 4.635 4.340 0.000 0.000 0.281 60 Q C -1.737 174.350 176.000 0.144 0.000 0.997 60 Q CA -0.663 55.208 55.803 0.113 0.000 0.828 60 Q CB 1.776 30.577 28.738 0.106 0.000 1.443 60 Q HN 0.673 nan 8.270 nan 0.000 0.390 61 H N 4.029 123.076 119.070 -0.039 0.000 2.690 61 H HA 0.247 4.803 4.556 0.000 0.000 0.289 61 H C -1.546 173.514 175.328 -0.447 0.000 1.089 61 H CA -2.343 53.653 56.048 -0.086 0.000 1.299 61 H CB 1.252 30.966 29.762 -0.079 0.000 1.405 61 H HN 0.429 nan 8.280 nan 0.000 0.463 62 P HA -0.218 nan 4.420 nan 0.000 0.218 62 P C 1.317 178.498 177.300 -0.197 0.000 1.146 62 P CA 0.682 63.447 63.100 -0.557 0.000 0.813 62 P CB 0.461 31.790 31.700 -0.618 0.000 0.778 63 L N 0.281 121.458 121.223 -0.077 0.000 2.362 63 L HA -0.075 4.265 4.340 0.000 0.000 0.219 63 L C 1.829 178.691 176.870 -0.014 0.000 1.134 63 L CA 1.688 56.512 54.840 -0.027 0.000 0.807 63 L CB -1.434 40.514 42.059 -0.185 0.000 0.927 63 L HN -0.125 nan 8.230 nan 0.000 0.447 64 D N -1.743 118.589 120.400 -0.113 0.000 2.219 64 D HA -0.182 4.458 4.640 0.000 0.000 0.205 64 D C 2.160 178.671 176.300 0.351 0.000 0.970 64 D CA 1.056 55.114 54.000 0.097 0.000 0.851 64 D CB -0.072 40.786 40.800 0.097 0.000 0.943 64 D HN 0.413 nan 8.370 nan 0.000 0.488 65 Y N 0.096 120.587 120.300 0.319 0.000 2.242 65 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 65 Y C 2.463 178.630 175.900 0.445 0.000 1.137 65 Y CA 0.170 58.531 58.100 0.435 0.000 1.181 65 Y CB 0.032 38.705 38.460 0.355 0.000 0.989 65 Y HN -0.119 nan 8.280 nan 0.000 0.527 66 V N 0.098 120.295 119.914 0.472 0.000 3.129 66 V HA -0.109 4.011 4.120 0.000 0.000 0.259 66 V C 1.712 177.957 176.094 0.251 0.000 1.116 66 V CA 1.243 63.727 62.300 0.308 0.000 1.127 66 V CB -0.182 31.768 31.823 0.210 0.000 0.742 66 V HN 0.285 nan 8.190 nan 0.000 0.474 67 E N 0.485 120.839 120.200 0.258 0.000 2.153 67 E HA -0.120 4.230 4.350 0.000 0.000 0.194 67 E C 2.255 178.979 176.600 0.207 0.000 0.988 67 E CA 1.497 58.014 56.400 0.196 0.000 0.811 67 E CB -0.435 29.375 29.700 0.183 0.000 0.746 67 E HN 0.604 nan 8.360 nan 0.000 0.466 68 V N 1.540 121.631 119.914 0.295 0.000 2.427 68 V HA -0.211 3.909 4.120 0.000 0.000 0.248 68 V C 2.493 178.681 176.094 0.157 0.000 1.051 68 V CA 1.219 63.657 62.300 0.230 0.000 1.048 68 V CB -0.560 31.429 31.823 0.277 0.000 0.666 68 V HN 0.191 nan 8.190 nan 0.000 0.456 69 L N 0.763 122.106 121.223 0.200 0.000 2.056 69 L HA -0.135 4.205 4.340 0.000 0.000 0.207 69 L C 2.717 179.634 176.870 0.078 0.000 1.078 69 L CA 2.089 57.009 54.840 0.133 0.000 0.749 69 L CB -1.065 41.083 42.059 0.149 0.000 0.901 69 L HN 0.583 nan 8.230 nan 0.000 0.433 70 T N -5.386 109.218 114.554 0.084 0.000 3.054 70 T HA 0.029 4.379 4.350 0.000 0.000 0.259 70 T C 1.651 176.365 174.700 0.024 0.000 1.092 70 T CA 1.150 63.280 62.100 0.049 0.000 1.121 70 T CB -0.202 68.700 68.868 0.056 0.000 0.912 70 T HN 0.411 nan 8.240 nan 0.000 0.489 71 T N 0.119 114.695 114.554 0.036 0.000 3.038 71 T HA 0.379 4.729 4.350 0.000 0.000 0.244 71 T C 2.203 176.844 174.700 -0.097 0.000 1.016 71 T CA 0.721 62.819 62.100 -0.003 0.000 1.098 71 T CB -0.396 68.508 68.868 0.060 0.000 0.954 71 T HN 0.303 nan 8.240 nan 0.000 0.469 72 S N 0.426 116.117 115.700 -0.015 0.000 2.388 72 S HA 0.047 4.517 4.470 0.000 0.000 0.223 72 S C 2.358 176.903 174.600 -0.092 0.000 1.034 72 S CA 1.024 59.211 58.200 -0.021 0.000 0.963 72 S CB -0.138 63.147 63.200 0.141 0.000 0.827 72 S HN 0.360 nan 8.310 nan 0.000 0.481 73 V N 2.898 122.786 119.914 -0.043 0.000 2.261 73 V HA -0.099 4.021 4.120 0.000 0.000 0.246 73 V C -0.750 175.299 176.094 -0.075 0.000 1.047 73 V CA 1.746 64.020 62.300 -0.043 0.000 1.015 73 V CB -1.836 29.980 31.823 -0.012 0.000 0.642 73 V HN 0.322 nan 8.190 nan 0.000 0.446 74 P HA -0.196 nan 4.420 nan 0.000 0.215 74 P C 1.743 178.966 177.300 -0.128 0.000 1.157 74 P CA 2.202 65.249 63.100 -0.087 0.000 0.874 74 P CB -0.198 31.456 31.700 -0.076 0.000 0.790 75 A N -0.804 121.882 122.820 -0.224 0.000 1.940 75 A HA -0.178 4.142 4.320 0.000 0.000 0.219 75 A C 2.313 179.797 177.584 -0.166 0.000 1.176 75 A CA 1.874 53.738 52.037 -0.288 0.000 0.631 75 A CB -1.730 16.815 19.000 -0.757 0.000 0.814 75 A HN 0.051 nan 8.150 nan 0.000 0.446 76 V N -0.061 119.776 119.914 -0.128 0.000 2.358 76 V HA -0.265 3.855 4.120 0.000 0.000 0.246 76 V C 2.685 178.729 176.094 -0.082 0.000 1.047 76 V CA 1.890 64.150 62.300 -0.068 0.000 1.035 76 V CB -0.662 31.133 31.823 -0.047 0.000 0.658 76 V HN 0.500 nan 8.190 nan 0.000 0.452 77 M N 0.204 119.752 119.600 -0.086 0.000 2.059 77 M HA -0.183 4.297 4.480 0.000 0.000 0.259 77 M C 2.240 178.494 176.300 -0.076 0.000 1.072 77 M CA 2.034 57.282 55.300 -0.087 0.000 1.117 77 M CB -1.391 31.167 32.600 -0.069 0.000 1.320 77 M HN 0.342 nan 8.290 nan 0.000 0.408 78 K N 0.840 121.200 120.400 -0.067 0.000 2.059 78 K HA -0.159 4.161 4.320 0.000 0.000 0.212 78 K C 1.050 177.622 176.600 -0.047 0.000 1.050 78 K CA 1.881 58.136 56.287 -0.054 0.000 0.927 78 K CB -0.192 32.275 32.500 -0.055 0.000 0.714 78 K HN 0.371 nan 8.250 nan 0.000 0.447 86 D N 0.116 120.571 120.400 0.091 0.000 2.348 86 D HA 0.100 4.740 4.640 0.000 0.000 0.211 86 D C 0.144 176.560 176.300 0.192 0.000 0.998 86 D CA 0.469 54.558 54.000 0.149 0.000 0.873 86 D CB 0.894 41.862 40.800 0.281 0.000 0.925 86 D HN 0.026 nan 8.370 nan 0.000 0.524 87 V N 2.467 122.469 119.914 0.147 0.000 2.339 87 V HA 0.119 4.239 4.120 0.000 0.000 0.261 87 V C 1.326 177.467 176.094 0.078 0.000 1.058 87 V CA -0.217 62.163 62.300 0.134 0.000 0.897 87 V CB 0.491 32.363 31.823 0.082 0.000 1.052 87 V HN 0.144 nan 8.190 nan 0.000 0.480 88 I N 2.730 123.340 120.570 0.068 0.000 2.353 88 I HA 0.218 4.388 4.170 0.000 0.000 0.248 88 I C 1.271 177.412 176.117 0.039 0.000 1.119 88 I CA 1.131 62.453 61.300 0.036 0.000 1.417 88 I CB -0.226 37.780 38.000 0.011 0.000 1.078 88 I HN 0.691 nan 8.210 nan 0.000 0.421 89 G N 0.468 109.301 108.800 0.055 0.000 2.606 89 G HA2 0.665 4.625 3.960 0.000 0.000 0.300 89 G HA3 0.665 4.625 3.960 0.000 0.000 0.300 89 G C -1.830 173.109 174.900 0.064 0.000 1.360 89 G CA -0.413 44.720 45.100 0.054 0.000 0.783 89 G HN 0.021 nan 8.290 nan 0.000 0.484 90 I N -0.680 119.928 120.570 0.064 0.000 2.802 90 I HA 0.769 4.939 4.170 0.000 0.000 0.298 90 I C -0.214 175.954 176.117 0.084 0.000 1.176 90 I CA -0.628 60.715 61.300 0.070 0.000 1.025 90 I CB 2.309 40.343 38.000 0.057 0.000 1.243 90 I HN 1.002 nan 8.210 nan 0.000 0.424 91 G N 5.150 114.009 108.800 0.098 0.000 2.690 91 G HA2 0.643 4.603 3.960 0.000 0.000 0.293 91 G HA3 0.643 4.603 3.960 0.000 0.000 0.293 91 G C -1.657 173.319 174.900 0.128 0.000 1.399 91 G CA -0.468 44.702 45.100 0.117 0.000 0.890 91 G HN 0.805 nan 8.290 nan 0.000 0.485 92 V N -1.089 118.918 119.914 0.155 0.000 3.001 92 V HA 0.945 5.065 4.120 0.000 0.000 0.314 92 V C -1.231 174.988 176.094 0.208 0.000 1.099 92 V CA -1.043 61.384 62.300 0.211 0.000 0.989 92 V CB 2.039 34.084 31.823 0.370 0.000 1.040 92 V HN 1.005 nan 8.190 nan 0.000 0.434 93 D N 1.323 121.851 120.400 0.214 0.000 2.619 93 D HA 0.714 5.354 4.640 0.000 0.000 0.241 93 D C -1.084 175.368 176.300 0.254 0.000 1.087 93 D CA -0.385 53.731 54.000 0.194 0.000 0.851 93 D CB 2.189 43.062 40.800 0.121 0.000 1.474 93 D HN 0.559 nan 8.370 nan 0.000 0.478 94 F N 0.017 120.037 119.950 0.116 0.000 2.664 94 F HA 0.543 5.070 4.527 0.000 0.000 0.329 94 F C 0.195 176.032 175.800 0.061 0.000 1.090 94 F CA -0.658 57.407 58.000 0.107 0.000 0.978 94 F CB 2.254 41.261 39.000 0.011 0.000 1.378 94 F HN 0.489 nan 8.300 nan 0.000 0.495 95 T N 0.598 115.452 114.554 0.499 0.000 2.898 95 T HA 0.495 4.845 4.350 0.000 0.000 0.301 95 T C -0.002 174.822 174.700 0.208 0.000 1.049 95 T CA -0.583 61.649 62.100 0.220 0.000 1.095 95 T CB 1.071 70.112 68.868 0.289 0.000 0.976 95 T HN 0.806 nan 8.240 nan 0.000 0.539 96 A N 2.002 124.855 122.820 0.054 0.000 2.500 96 A HA 0.392 4.712 4.320 0.000 0.000 0.285 96 A C 1.103 178.872 177.584 0.308 0.000 1.183 96 A CA -0.382 51.753 52.037 0.163 0.000 0.851 96 A CB -1.886 17.193 19.000 0.131 0.000 1.091 96 A HN 1.832 nan 8.150 nan 0.000 0.521 97 C N 2.591 122.026 119.300 0.224 0.000 2.329 97 C HA -0.113 4.347 4.460 0.000 0.000 0.248 97 C C 0.524 175.668 174.990 0.256 0.000 1.015 97 C CA 1.090 60.239 59.018 0.218 0.000 2.869 97 C CB -2.562 25.346 27.740 0.280 0.000 1.688 97 C HN 1.029 nan 8.230 nan 0.000 0.347 98 T N 7.231 121.878 114.554 0.154 0.000 2.991 98 T HA 0.568 4.918 4.350 0.000 0.000 0.347 98 T C -0.043 174.662 174.700 0.009 0.000 1.122 98 T CA 0.078 62.260 62.100 0.138 0.000 1.062 98 T CB 0.698 69.679 68.868 0.188 0.000 1.043 98 T HN 0.848 nan 8.240 nan 0.000 0.491 99 M N 2.979 122.594 119.600 0.025 0.000 2.753 99 M HA 0.943 5.423 4.480 0.000 0.000 0.299 99 M C -1.134 175.167 176.300 0.002 0.000 1.219 99 M CA -0.968 54.336 55.300 0.008 0.000 0.900 99 M CB 1.331 33.949 32.600 0.030 0.000 1.628 99 M HN 0.417 nan 8.290 nan 0.000 0.502 100 L N -2.540 118.698 121.223 0.025 0.000 2.591 100 L HA 0.758 5.099 4.340 0.000 0.000 0.257 100 L C -3.061 173.810 176.870 0.002 0.000 0.935 100 L CA -1.743 53.083 54.840 -0.024 0.000 0.873 100 L CB 1.923 43.853 42.059 -0.215 0.000 1.397 100 L HN 0.545 nan 8.230 nan 0.000 0.414 101 P HA 0.368 nan 4.420 nan 0.000 0.279 101 P C -0.925 176.176 177.300 -0.332 0.000 1.239 101 P CA -0.288 62.636 63.100 -0.293 0.000 0.789 101 P CB 1.945 33.493 31.700 -0.254 0.000 0.933 102 V N -0.283 119.414 119.914 -0.363 0.000 3.007 102 V HA 0.558 4.678 4.120 0.000 0.000 0.311 102 V C -0.288 175.656 176.094 -0.249 0.000 1.120 102 V CA -1.207 60.938 62.300 -0.258 0.000 0.980 102 V CB 1.700 33.437 31.823 -0.143 0.000 1.033 102 V HN 0.534 nan 8.190 nan 0.000 0.429 103 D N 1.516 121.810 120.400 -0.177 0.000 2.447 103 D HA 0.183 4.823 4.640 0.000 0.000 0.265 103 D C 0.964 177.196 176.300 -0.113 0.000 1.250 103 D CA 0.013 53.921 54.000 -0.152 0.000 1.046 103 D CB 0.330 41.067 40.800 -0.104 0.000 1.095 103 D HN 0.758 nan 8.370 nan 0.000 0.555 104 E N -0.658 119.485 120.200 -0.095 0.000 2.516 104 E HA -0.144 4.206 4.350 0.000 0.000 0.199 104 E C 0.118 176.691 176.600 -0.045 0.000 1.069 104 E CA 0.620 56.975 56.400 -0.073 0.000 0.876 104 E CB -0.496 29.163 29.700 -0.068 0.000 0.843 104 E HN 0.641 nan 8.360 nan 0.000 0.530 105 E N 0.223 120.403 120.200 -0.033 0.000 2.465 105 E HA 0.244 4.594 4.350 0.000 0.000 0.195 105 E C 1.037 177.647 176.600 0.017 0.000 1.028 105 E CA 0.266 56.661 56.400 -0.009 0.000 0.899 105 E CB 0.718 30.415 29.700 -0.003 0.000 1.032 105 E HN 0.346 nan 8.360 nan 0.000 0.468 106 G N 0.912 109.723 108.800 0.019 0.000 2.189 106 G HA2 -0.307 3.653 3.960 0.000 0.000 0.267 106 G HA3 -0.307 3.653 3.960 0.000 0.000 0.267 106 G C 0.303 175.325 174.900 0.202 0.000 0.975 106 G CA 0.168 45.321 45.100 0.089 0.000 0.644 106 G HN 0.174 nan 8.290 nan 0.000 0.537 107 Q N 0.956 120.826 119.800 0.116 0.000 2.259 107 Q HA 0.395 4.735 4.340 0.000 0.000 0.246 107 Q C -2.174 173.795 176.000 -0.051 0.000 0.920 107 Q CA -1.989 53.892 55.803 0.129 0.000 0.895 107 Q CB 1.381 30.162 28.738 0.073 0.000 1.220 107 Q HN 0.329 nan 8.270 nan 0.000 0.439 108 P HA 0.037 nan 4.420 nan 0.000 0.271 108 P C 0.631 177.759 177.300 -0.287 0.000 1.216 108 P CA 0.080 62.965 63.100 -0.359 0.000 0.771 108 P CB 0.756 32.114 31.700 -0.570 0.000 0.864 109 L N 3.248 124.294 121.223 -0.295 0.000 2.127 109 L HA -0.196 4.144 4.340 0.000 0.000 0.211 109 L C 2.449 179.172 176.870 -0.244 0.000 1.089 109 L CA 1.818 56.503 54.840 -0.259 0.000 0.757 109 L CB -1.075 40.772 42.059 -0.354 0.000 0.899 109 L HN 0.504 nan 8.230 nan 0.000 0.434 110 C N -1.407 117.632 119.300 -0.434 0.000 2.479 110 C HA 0.045 4.505 4.460 0.000 0.000 0.292 110 C C 1.867 176.513 174.990 -0.573 0.000 1.497 110 C CA -0.256 58.342 59.018 -0.701 0.000 1.714 110 C CB -1.540 25.282 27.740 -1.532 0.000 1.610 110 C HN 0.404 nan 8.230 nan 0.000 0.589 111 L N -0.581 120.451 121.223 -0.317 0.000 2.664 111 L HA 0.446 4.786 4.340 0.000 0.000 0.233 111 L C 0.567 177.387 176.870 -0.083 0.000 1.113 111 L CA 0.556 55.285 54.840 -0.185 0.000 0.896 111 L CB -0.205 41.782 42.059 -0.120 0.000 1.163 111 L HN 0.209 nan 8.230 nan 0.000 0.497 112 L N -0.719 120.475 121.223 -0.048 0.000 2.290 112 L HA 0.364 4.704 4.340 0.000 0.000 0.284 112 L C 1.587 178.461 176.870 0.008 0.000 1.078 112 L CA 0.312 55.167 54.840 0.025 0.000 0.815 112 L CB 0.954 43.103 42.059 0.150 0.000 1.162 112 L HN 0.071 nan 8.230 nan 0.000 0.435 113 A N 2.635 125.447 122.820 -0.013 0.000 1.948 113 A HA -0.240 4.080 4.320 0.000 0.000 0.220 113 A C 2.010 179.551 177.584 -0.071 0.000 1.177 113 A CA 1.774 53.795 52.037 -0.027 0.000 0.636 113 A CB -0.562 18.423 19.000 -0.025 0.000 0.815 113 A HN 0.895 nan 8.150 nan 0.000 0.449 114 Q N -2.279 117.433 119.800 -0.145 0.000 2.226 114 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 114 Q C 0.668 176.340 176.000 -0.547 0.000 0.975 114 Q CA 1.563 57.146 55.803 -0.368 0.000 0.866 114 Q CB -0.042 28.380 28.738 -0.527 0.000 0.915 114 Q HN 0.847 nan 8.270 nan 0.000 0.440 115 Y N -1.336 118.957 120.300 -0.013 0.000 2.500 115 Y HA 0.182 4.732 4.550 -0.000 0.000 0.246 115 Y C 1.621 177.531 175.900 0.017 0.000 1.146 115 Y CA -0.258 57.843 58.100 0.002 0.000 1.230 115 Y CB 0.362 38.803 38.460 -0.031 0.000 1.214 115 Y HN -0.041 nan 8.280 nan 0.000 0.526 116 K N 0.919 121.377 120.400 0.097 0.000 2.089 116 K HA -0.208 4.112 4.320 0.000 0.000 0.210 116 K C 0.462 177.249 176.600 0.312 0.000 1.048 116 K CA 2.293 58.649 56.287 0.115 0.000 0.926 116 K CB -0.070 32.472 32.500 0.071 0.000 0.714 116 K HN 0.222 nan 8.250 nan 0.000 0.448 117 D N 0.392 120.918 120.400 0.210 0.000 2.325 117 D HA -0.039 4.601 4.640 0.000 0.000 0.225 117 D C -0.206 176.202 176.300 0.180 0.000 1.096 117 D CA 0.149 54.259 54.000 0.184 0.000 0.844 117 D CB -0.068 40.784 40.800 0.086 0.000 0.925 117 D HN 0.172 nan 8.370 nan 0.000 0.513 118 N N 1.617 120.482 118.700 0.275 0.000 2.462 118 N HA 0.107 4.847 4.740 0.000 0.000 0.242 118 N C -2.006 173.716 175.510 0.353 0.000 1.010 118 N CA -1.819 51.391 53.050 0.266 0.000 0.939 118 N CB 2.015 40.693 38.487 0.319 0.000 1.127 118 N HN -0.233 nan 8.380 nan 0.000 0.509 119 P HA -0.092 nan 4.420 nan 0.000 0.224 119 P C 0.017 177.549 177.300 0.386 0.000 1.142 119 P CA 1.286 64.468 63.100 0.136 0.000 0.778 119 P CB 0.095 31.636 31.700 -0.264 0.000 0.764 120 H N -2.310 117.022 119.070 0.436 0.000 2.529 120 H HA 0.125 4.681 4.556 0.000 0.000 0.277 120 H C 1.635 177.106 175.328 0.239 0.000 1.004 120 H CA 0.480 56.734 56.048 0.342 0.000 1.167 120 H CB 0.162 30.101 29.762 0.295 0.000 1.445 120 H HN 0.155 nan 8.280 nan 0.000 0.554 121 S N -1.035 114.880 115.700 0.358 0.000 2.535 121 S HA 0.012 4.482 4.470 0.000 0.000 0.214 121 S C 0.111 174.670 174.600 -0.068 0.000 0.980 121 S CA -0.612 57.641 58.200 0.088 0.000 0.907 121 S CB 0.066 63.276 63.200 0.016 0.000 0.790 121 S HN 0.192 nan 8.310 nan 0.000 0.510 122 W N 1.430 122.720 121.300 -0.018 0.000 2.332 122 W HA 0.600 5.260 4.660 -0.000 0.000 0.351 122 W C 0.064 176.525 176.519 -0.096 0.000 1.195 122 W CA -1.123 56.169 57.345 -0.087 0.000 1.334 122 W CB 0.339 29.750 29.460 -0.082 0.000 1.206 122 W HN -0.213 nan 8.180 nan 0.000 0.637 123 V N 3.377 123.350 119.914 0.099 0.000 2.599 123 V HA -0.041 4.079 4.120 0.000 0.000 0.300 123 V C 0.458 176.570 176.094 0.031 0.000 1.034 123 V CA -0.303 62.016 62.300 0.032 0.000 1.115 123 V CB 0.040 31.890 31.823 0.045 0.000 0.934 123 V HN 0.234 nan 8.190 nan 0.000 0.485 124 K N 5.144 125.518 120.400 -0.043 0.000 2.244 124 K HA 0.307 4.627 4.320 0.000 0.000 0.263 124 K C -0.337 176.244 176.600 -0.033 0.000 1.103 124 K CA -0.749 55.428 56.287 -0.183 0.000 0.966 124 K CB 0.878 33.189 32.500 -0.316 0.000 1.429 124 K HN 0.475 nan 8.250 nan 0.000 0.434 125 L N 3.339 124.574 121.223 0.019 0.000 2.517 125 L HA -0.095 4.245 4.340 0.000 0.000 0.294 125 L C 1.739 178.665 176.870 0.093 0.000 1.264 125 L CA 0.508 55.411 54.840 0.105 0.000 0.839 125 L CB 0.206 42.284 42.059 0.031 0.000 1.098 125 L HN 0.702 nan 8.230 nan 0.000 0.525 126 W N 2.386 123.772 121.300 0.143 0.000 2.392 126 W HA -0.156 4.504 4.660 -0.000 0.000 0.279 126 W C 1.219 177.798 176.519 0.099 0.000 1.225 126 W CA 1.086 58.528 57.345 0.163 0.000 1.233 126 W CB -0.771 28.814 29.460 0.208 0.000 1.122 126 W HN 0.631 nan 8.180 nan 0.000 0.561 127 K N 0.301 120.079 120.400 -1.036 0.000 2.288 127 K HA -0.160 4.160 4.320 0.000 0.000 0.201 127 K C 0.408 176.352 176.600 -1.095 0.000 1.048 127 K CA 0.519 56.076 56.287 -1.215 0.000 0.956 127 K CB -0.620 31.206 32.500 -1.123 0.000 0.746 127 K HN 0.041 nan 8.250 nan 0.000 0.461 128 H N 1.487 120.162 119.070 -0.657 0.000 3.187 128 H HA -0.087 4.469 4.556 0.000 0.000 0.286 128 H C 0.310 175.356 175.328 -0.470 0.000 0.944 128 H CA 0.723 56.460 56.048 -0.518 0.000 1.429 128 H CB 0.222 29.779 29.762 -0.341 0.000 1.483 128 H HN 0.130 nan 8.280 nan 0.000 0.555 129 H N 3.610 122.374 119.070 -0.509 0.000 2.784 129 H HA 0.228 4.784 4.556 0.000 0.000 0.273 129 H C 1.465 176.535 175.328 -0.430 0.000 1.112 129 H CA 0.498 56.328 56.048 -0.364 0.000 1.162 129 H CB 0.399 30.011 29.762 -0.250 0.000 1.586 129 H HN 0.717 nan 8.280 nan 0.000 0.548 130 A N 1.004 123.419 122.820 -0.675 0.000 2.264 130 A HA 0.240 4.560 4.320 0.000 0.000 0.207 130 A C 1.840 179.267 177.584 -0.262 0.000 1.196 130 A CA 0.990 52.747 52.037 -0.466 0.000 0.778 130 A CB -0.388 18.191 19.000 -0.701 0.000 0.779 130 A HN 0.319 nan 8.150 nan 0.000 0.483 131 A N -1.771 120.930 122.820 -0.199 0.000 2.503 131 A HA 0.253 4.573 4.320 0.000 0.000 0.263 131 A C 1.621 179.150 177.584 -0.092 0.000 1.258 131 A CA 0.007 51.984 52.037 -0.101 0.000 0.936 131 A CB -0.109 18.876 19.000 -0.026 0.000 1.070 131 A HN 0.295 nan 8.150 nan 0.000 0.522 132 Q N 1.553 121.296 119.800 -0.094 0.000 2.133 132 Q HA -0.249 4.091 4.340 0.000 0.000 0.208 132 Q C 1.535 177.476 176.000 -0.098 0.000 0.991 132 Q CA 2.123 57.871 55.803 -0.091 0.000 0.867 132 Q CB -0.267 28.418 28.738 -0.090 0.000 0.911 132 Q HN 0.919 nan 8.270 nan 0.000 0.417 133 D N -0.125 120.207 120.400 -0.113 0.000 2.123 133 D HA -0.200 4.440 4.640 0.000 0.000 0.196 133 D C 1.401 177.575 176.300 -0.210 0.000 0.992 133 D CA 1.105 55.020 54.000 -0.143 0.000 0.833 133 D CB -0.195 40.515 40.800 -0.149 0.000 0.954 133 D HN 0.066 nan 8.370 nan 0.000 0.455 134 K N 0.757 121.001 120.400 -0.260 0.000 2.155 134 K HA 0.118 4.438 4.320 0.000 0.000 0.203 134 K C 2.234 178.795 176.600 -0.065 0.000 1.052 134 K CA 1.021 57.090 56.287 -0.362 0.000 0.948 134 K CB -0.492 31.796 32.500 -0.353 0.000 0.728 134 K HN 0.299 nan 8.250 nan 0.000 0.448 135 A N 2.031 124.833 122.820 -0.029 0.000 1.898 135 A HA -0.162 4.158 4.320 0.000 0.000 0.216 135 A C 1.911 179.515 177.584 0.033 0.000 1.181 135 A CA 1.382 53.434 52.037 0.025 0.000 0.620 135 A CB -0.377 18.597 19.000 -0.043 0.000 0.819 135 A HN 0.247 nan 8.150 nan 0.000 0.442 136 N N 0.773 119.462 118.700 -0.018 0.000 2.069 136 N HA -0.139 4.601 4.740 0.000 0.000 0.191 136 N C 1.907 177.440 175.510 0.037 0.000 1.031 136 N CA 1.694 54.739 53.050 -0.008 0.000 0.852 136 N CB -0.675 37.787 38.487 -0.042 0.000 1.018 136 N HN 0.456 nan 8.380 nan 0.000 0.423 137 A N 1.591 124.429 122.820 0.029 0.000 1.908 137 A HA -0.120 4.200 4.320 0.000 0.000 0.218 137 A C 2.141 179.876 177.584 0.252 0.000 1.181 137 A CA 1.007 53.114 52.037 0.117 0.000 0.627 137 A CB -0.483 18.542 19.000 0.041 0.000 0.818 137 A HN 0.136 nan 8.150 nan 0.000 0.445 138 I N 0.764 121.523 120.570 0.316 0.000 2.179 138 I HA -0.223 3.947 4.170 0.000 0.000 0.242 138 I C 1.977 178.295 176.117 0.335 0.000 1.088 138 I CA 1.389 62.909 61.300 0.366 0.000 1.357 138 I CB -1.698 36.524 38.000 0.370 0.000 1.051 138 I HN 0.362 nan 8.210 nan 0.000 0.409 139 N N 0.814 119.647 118.700 0.221 0.000 2.120 139 N HA -0.195 4.545 4.740 0.000 0.000 0.188 139 N C 1.832 177.410 175.510 0.112 0.000 1.024 139 N CA 1.154 54.299 53.050 0.157 0.000 0.852 139 N CB -0.203 38.337 38.487 0.089 0.000 1.003 139 N HN 0.366 nan 8.380 nan 0.000 0.424 140 E N 0.797 121.055 120.200 0.097 0.000 2.023 140 E HA -0.139 4.211 4.350 0.000 0.000 0.196 140 E C 1.894 178.541 176.600 0.079 0.000 1.003 140 E CA 1.113 57.552 56.400 0.065 0.000 0.809 140 E CB -0.209 29.523 29.700 0.053 0.000 0.755 140 E HN 0.123 nan 8.360 nan 0.000 0.449 141 M N 0.029 119.696 119.600 0.112 0.000 2.159 141 M HA -0.101 4.379 4.480 0.000 0.000 0.263 141 M C 1.907 178.338 176.300 0.218 0.000 1.063 141 M CA 1.781 57.145 55.300 0.106 0.000 1.110 141 M CB -0.413 32.187 32.600 -0.000 0.000 1.374 141 M HN 0.155 nan 8.290 nan 0.000 0.411 142 A N -0.221 122.778 122.820 0.298 0.000 1.877 142 A HA -0.122 4.198 4.320 0.000 0.000 0.216 142 A C 2.171 179.728 177.584 -0.045 0.000 1.186 142 A CA 2.616 54.729 52.037 0.126 0.000 0.620 142 A CB -1.589 17.369 19.000 -0.070 0.000 0.822 142 A HN 0.595 nan 8.150 nan 0.000 0.443 143 E N -0.591 119.599 120.200 -0.017 0.000 2.031 143 E HA -0.214 4.136 4.350 0.000 0.000 0.193 143 E C 2.306 178.894 176.600 -0.020 0.000 0.994 143 E CA 3.052 59.429 56.400 -0.038 0.000 0.800 143 E CB -1.428 28.262 29.700 -0.016 0.000 0.752 143 E HN 0.897 nan 8.360 nan 0.000 0.447 144 K N 0.965 121.371 120.400 0.010 0.000 2.034 144 K HA -0.198 4.122 4.320 0.000 0.000 0.214 144 K C 2.342 178.948 176.600 0.010 0.000 1.051 144 K CA 1.904 58.198 56.287 0.011 0.000 0.931 144 K CB -0.771 31.742 32.500 0.022 0.000 0.715 144 K HN 0.545 nan 8.250 nan 0.000 0.446 145 R N -1.105 119.413 120.500 0.031 0.000 2.307 145 R HA 0.137 4.477 4.340 0.000 0.000 0.199 145 R C 1.349 177.639 176.300 -0.017 0.000 1.000 145 R CA 0.401 56.520 56.100 0.031 0.000 1.023 145 R CB -0.080 30.282 30.300 0.104 0.000 0.908 145 R HN 0.659 nan 8.270 nan 0.000 0.473 146 G N 2.357 111.126 108.800 -0.052 0.000 2.273 146 G HA2 -0.318 3.642 3.960 0.000 0.000 0.280 146 G HA3 -0.318 3.642 3.960 0.000 0.000 0.280 146 G C -0.293 174.522 174.900 -0.142 0.000 1.047 146 G CA 0.210 45.256 45.100 -0.090 0.000 0.869 146 G HN 0.331 nan 8.290 nan 0.000 0.502 147 E N -0.458 119.608 120.200 -0.224 0.000 2.414 147 E HA 0.552 4.902 4.350 0.000 0.000 0.263 147 E C 1.603 177.963 176.600 -0.400 0.000 1.000 147 E CA 0.799 56.995 56.400 -0.339 0.000 0.914 147 E CB 0.506 29.841 29.700 -0.609 0.000 0.948 147 E HN 0.631 nan 8.360 nan 0.000 0.444 148 A N 4.527 127.196 122.820 -0.251 0.000 2.015 148 A HA -0.151 4.169 4.320 0.000 0.000 0.219 148 A C 1.778 179.258 177.584 -0.173 0.000 1.163 148 A CA 1.534 53.457 52.037 -0.189 0.000 0.646 148 A CB -0.878 18.043 19.000 -0.132 0.000 0.806 148 A HN 0.778 nan 8.150 nan 0.000 0.448 149 F N -0.818 119.052 119.950 -0.132 0.000 2.234 149 F HA -0.050 4.477 4.527 0.000 0.000 0.299 149 F C 1.603 177.473 175.800 0.116 0.000 1.087 149 F CA 0.893 58.880 58.000 -0.021 0.000 1.340 149 F CB -0.749 38.264 39.000 0.020 0.000 1.031 149 F HN 0.136 nan 8.300 nan 0.000 0.500 150 L N 2.080 122.936 121.223 -0.611 0.000 1.997 150 L HA -0.184 4.156 4.340 0.000 0.000 0.227 150 L C -0.666 176.233 176.870 0.048 0.000 1.087 150 L CA 2.562 57.240 54.840 -0.270 0.000 0.797 150 L CB -1.965 39.847 42.059 -0.412 0.000 0.902 150 L HN 0.043 nan 8.230 nan 0.000 0.441 151 P HA -0.122 nan 4.420 nan 0.000 0.220 151 P C 1.288 178.614 177.300 0.044 0.000 1.148 151 P CA 1.362 64.474 63.100 0.020 0.000 0.803 151 P CB -0.128 31.559 31.700 -0.021 0.000 0.782 152 R N -1.692 118.809 120.500 0.003 0.000 2.200 152 R HA -0.107 4.234 4.340 0.000 0.000 0.234 152 R C 0.659 176.779 176.300 -0.299 0.000 1.127 152 R CA 1.138 57.132 56.100 -0.176 0.000 0.989 152 R CB -0.458 29.646 30.300 -0.326 0.000 0.869 152 R HN 0.360 nan 8.270 nan 0.000 0.459 153 Y N -0.861 119.574 120.300 0.226 0.000 2.720 153 Y HA 0.289 4.839 4.550 -0.000 0.000 0.268 153 Y C 1.165 177.228 175.900 0.272 0.000 1.142 153 Y CA -0.057 58.240 58.100 0.329 0.000 1.193 153 Y CB 0.967 39.721 38.460 0.489 0.000 1.176 153 Y HN 0.141 nan 8.280 nan 0.000 0.542 154 G N 0.162 109.114 108.800 0.253 0.000 2.168 154 G HA2 -0.165 3.795 3.960 0.000 0.000 0.257 154 G HA3 -0.165 3.795 3.960 0.000 0.000 0.257 154 G C 1.167 176.153 174.900 0.143 0.000 0.997 154 G CA 0.355 45.561 45.100 0.176 0.000 0.708 154 G HN 1.233 nan 8.290 nan 0.000 0.520 155 G N -1.080 107.816 108.800 0.160 0.000 2.143 155 G HA2 -0.129 3.831 3.960 0.000 0.000 0.248 155 G HA3 -0.129 3.831 3.960 0.000 0.000 0.248 155 G C 0.062 175.025 174.900 0.105 0.000 0.991 155 G CA 1.267 46.426 45.100 0.099 0.000 0.689 155 G HN 1.735 nan 8.290 nan 0.000 0.522 156 K N -0.093 120.407 120.400 0.166 0.000 2.651 156 K HA 0.530 4.850 4.320 0.000 0.000 0.259 156 K C -0.664 175.966 176.600 0.051 0.000 1.017 156 K CA -1.052 55.287 56.287 0.085 0.000 0.897 156 K CB 0.670 33.175 32.500 0.007 0.000 1.262 156 K HN 0.014 nan 8.250 nan 0.000 0.460 157 I N 2.620 123.222 120.570 0.054 0.000 2.441 157 I HA 0.111 4.281 4.170 0.000 0.000 0.287 157 I C 0.747 176.614 176.117 -0.416 0.000 1.049 157 I CA 0.419 61.689 61.300 -0.050 0.000 1.381 157 I CB 1.554 39.660 38.000 0.176 0.000 1.409 157 I HN 0.513 nan 8.210 nan 0.000 0.523 158 S N 3.187 118.166 115.700 -1.202 0.000 2.614 158 S HA 0.156 4.626 4.470 0.000 0.000 0.265 158 S C 1.435 175.741 174.600 -0.491 0.000 1.303 158 S CA 0.017 57.617 58.200 -1.000 0.000 1.000 158 S CB 0.680 62.925 63.200 -1.591 0.000 0.935 158 S HN 0.759 nan 8.310 nan 0.000 0.551 159 S N 1.932 117.467 115.700 -0.275 0.000 2.428 159 S HA -0.031 4.439 4.470 0.000 0.000 0.230 159 S C 1.194 175.821 174.600 0.044 0.000 1.014 159 S CA 0.819 58.970 58.200 -0.082 0.000 0.957 159 S CB -0.561 62.600 63.200 -0.065 0.000 0.784 159 S HN 0.830 nan 8.310 nan 0.000 0.499 160 E N 0.025 120.262 120.200 0.061 0.000 2.274 160 E HA -0.014 4.336 4.350 0.000 0.000 0.194 160 E C -0.060 176.799 176.600 0.432 0.000 0.996 160 E CA 0.175 56.747 56.400 0.286 0.000 0.840 160 E CB -0.022 29.941 29.700 0.438 0.000 0.772 160 E HN 0.586 nan 8.360 nan 0.000 0.491 161 W N 0.438 121.828 121.300 0.150 0.000 2.086 161 W HA 0.107 4.767 4.660 0.000 0.000 0.355 161 W C 1.511 178.072 176.519 0.071 0.000 1.313 161 W CA -1.164 56.251 57.345 0.116 0.000 1.358 161 W CB -0.193 29.324 29.460 0.096 0.000 1.166 161 W HN -0.033 nan 8.180 nan 0.000 0.630 162 M N 1.584 121.354 119.600 0.285 0.000 2.110 162 M HA -0.241 4.239 4.480 0.000 0.000 0.257 162 M C 1.697 178.040 176.300 0.070 0.000 1.071 162 M CA 2.129 57.500 55.300 0.117 0.000 1.096 162 M CB -0.911 31.732 32.600 0.072 0.000 1.300 162 M HN 0.408 nan 8.290 nan 0.000 0.411 163 I N -0.582 120.070 120.570 0.137 0.000 2.315 163 I HA -0.238 3.932 4.170 0.000 0.000 0.248 163 I C 2.384 178.617 176.117 0.192 0.000 1.117 163 I CA 1.057 62.446 61.300 0.149 0.000 1.404 163 I CB -0.931 37.211 38.000 0.238 0.000 1.071 163 I HN 0.406 nan 8.210 nan 0.000 0.419 164 A N 1.127 124.066 122.820 0.199 0.000 1.902 164 A HA -0.200 4.120 4.320 0.000 0.000 0.217 164 A C 2.343 179.992 177.584 0.109 0.000 1.181 164 A CA 1.543 53.688 52.037 0.179 0.000 0.623 164 A CB -0.393 18.674 19.000 0.111 0.000 0.818 164 A HN 0.320 nan 8.150 nan 0.000 0.443 165 K N -0.690 119.749 120.400 0.064 0.000 2.057 165 K HA -0.062 4.258 4.320 0.000 0.000 0.206 165 K C 1.930 178.463 176.600 -0.111 0.000 1.050 165 K CA 1.286 57.565 56.287 -0.015 0.000 0.935 165 K CB -0.430 32.052 32.500 -0.030 0.000 0.715 165 K HN 0.309 nan 8.250 nan 0.000 0.439 166 V N 0.474 120.272 119.914 -0.194 0.000 2.358 166 V HA -0.186 3.934 4.120 0.000 0.000 0.246 166 V C 1.760 177.816 176.094 -0.062 0.000 1.047 166 V CA 1.441 63.511 62.300 -0.383 0.000 1.035 166 V CB -0.343 31.177 31.823 -0.504 0.000 0.658 166 V HN 0.511 nan 8.190 nan 0.000 0.452 167 W N 0.926 122.129 121.300 -0.162 0.000 2.358 167 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 167 W C 2.508 178.944 176.519 -0.138 0.000 1.208 167 W CA 1.977 59.236 57.345 -0.143 0.000 1.274 167 W CB -0.887 28.526 29.460 -0.078 0.000 1.138 167 W HN 0.419 nan 8.180 nan 0.000 0.515 168 Q N -0.005 119.822 119.800 0.044 0.000 2.152 168 Q HA -0.229 4.111 4.340 0.000 0.000 0.206 168 Q C 2.225 178.153 176.000 -0.120 0.000 0.985 168 Q CA 2.430 58.192 55.803 -0.067 0.000 0.863 168 Q CB -0.451 28.282 28.738 -0.008 0.000 0.904 168 Q HN 0.363 nan 8.270 nan 0.000 0.422 169 I N 0.347 120.833 120.570 -0.141 0.000 2.233 169 I HA -0.260 3.910 4.170 0.000 0.000 0.243 169 I C 2.339 178.398 176.117 -0.098 0.000 1.093 169 I CA 0.464 61.608 61.300 -0.260 0.000 1.380 169 I CB -0.300 37.688 38.000 -0.020 0.000 1.067 169 I HN 0.299 nan 8.210 nan 0.000 0.413 170 L N 1.136 122.338 121.223 -0.034 0.000 2.079 170 L HA -0.248 4.092 4.340 0.000 0.000 0.210 170 L C 1.874 178.712 176.870 -0.053 0.000 1.081 170 L CA 2.128 56.872 54.840 -0.159 0.000 0.752 170 L CB -0.778 40.958 42.059 -0.539 0.000 0.896 170 L HN 0.223 nan 8.230 nan 0.000 0.433 171 D N -0.695 119.703 120.400 -0.003 0.000 2.084 171 D HA -0.177 4.463 4.640 0.000 0.000 0.199 171 D C 1.970 178.263 176.300 -0.012 0.000 0.981 171 D CA 1.787 55.786 54.000 -0.002 0.000 0.841 171 D CB -0.051 40.707 40.800 -0.069 0.000 0.997 171 D HN 0.570 nan 8.370 nan 0.000 0.454 172 E N -0.619 119.559 120.200 -0.038 0.000 2.216 172 E HA 0.117 4.467 4.350 0.000 0.000 0.192 172 E C 0.277 176.906 176.600 0.049 0.000 0.988 172 E CA 0.766 57.191 56.400 0.041 0.000 0.834 172 E CB 0.273 30.094 29.700 0.201 0.000 0.772 172 E HN 0.232 nan 8.360 nan 0.000 0.479 173 A N 1.505 124.292 122.820 -0.054 0.000 3.317 173 A HA 0.131 4.451 4.320 0.000 0.000 0.307 173 A C 0.696 178.326 177.584 0.077 0.000 1.003 173 A CA -0.460 51.611 52.037 0.056 0.000 0.882 173 A CB 0.213 19.288 19.000 0.126 0.000 1.136 173 A HN 0.115 nan 8.150 nan 0.000 0.488 174 E N 1.400 121.650 120.200 0.084 0.000 2.130 174 E HA -0.291 4.059 4.350 0.000 0.000 0.196 174 E C 1.420 178.124 176.600 0.173 0.000 0.998 174 E CA 1.866 58.341 56.400 0.125 0.000 0.806 174 E CB 0.052 29.805 29.700 0.088 0.000 0.738 174 E HN 0.806 nan 8.360 nan 0.000 0.459 175 D N 0.068 120.556 120.400 0.146 0.000 2.182 175 D HA -0.159 4.482 4.640 0.000 0.000 0.201 175 D C 1.987 178.364 176.300 0.129 0.000 0.986 175 D CA 1.108 55.200 54.000 0.152 0.000 0.847 175 D CB -0.408 40.498 40.800 0.176 0.000 0.942 175 D HN 0.236 nan 8.370 nan 0.000 0.467 176 V N 0.153 120.141 119.914 0.124 0.000 2.379 176 V HA -0.221 3.899 4.120 0.000 0.000 0.245 176 V C 2.401 178.505 176.094 0.017 0.000 1.044 176 V CA 1.325 63.631 62.300 0.010 0.000 1.036 176 V CB -1.058 30.821 31.823 0.093 0.000 0.664 176 V HN 0.118 nan 8.190 nan 0.000 0.453 177 Y N 2.145 122.465 120.300 0.035 0.000 2.165 177 Y HA -0.244 4.306 4.550 0.000 0.000 0.286 177 Y C 2.449 178.347 175.900 -0.004 0.000 1.155 177 Y CA 2.048 60.203 58.100 0.092 0.000 1.164 177 Y CB -0.301 38.227 38.460 0.114 0.000 0.978 177 Y HN 0.281 nan 8.280 nan 0.000 0.513 178 N N -0.024 118.693 118.700 0.029 0.000 2.396 178 N HA -0.104 4.636 4.740 0.000 0.000 0.180 178 N C 1.806 177.220 175.510 -0.161 0.000 1.028 178 N CA 0.849 53.855 53.050 -0.074 0.000 0.893 178 N CB -0.256 38.268 38.487 0.061 0.000 0.967 178 N HN 0.404 nan 8.380 nan 0.000 0.440 179 R N 0.414 120.805 120.500 -0.182 0.000 2.161 179 R HA 0.090 4.430 4.340 0.000 0.000 0.213 179 R C 0.025 176.131 176.300 -0.323 0.000 1.055 179 R CA 0.300 56.265 56.100 -0.226 0.000 0.996 179 R CB -0.130 29.993 30.300 -0.295 0.000 0.901 179 R HN 0.072 nan 8.270 nan 0.000 0.456 180 T N 1.494 115.790 114.554 -0.430 0.000 2.867 180 T HA -0.070 4.280 4.350 0.000 0.000 0.297 180 T C 0.643 175.044 174.700 -0.499 0.000 0.989 180 T CA 0.266 62.026 62.100 -0.567 0.000 1.159 180 T CB 0.968 69.267 68.868 -0.948 0.000 0.928 180 T HN 0.149 nan 8.240 nan 0.000 0.538 181 D N 2.668 122.832 120.400 -0.393 0.000 2.162 181 D HA -0.023 4.617 4.640 0.000 0.000 0.203 181 D C 0.780 176.886 176.300 -0.324 0.000 0.967 181 D CA 1.027 54.853 54.000 -0.291 0.000 0.840 181 D CB 0.392 41.072 40.800 -0.200 0.000 0.972 181 D HN 0.840 nan 8.370 nan 0.000 0.482 182 Q N -1.932 117.617 119.800 -0.418 0.000 2.721 182 Q HA 0.229 4.569 4.340 0.000 0.000 0.282 182 Q C -1.544 174.177 176.000 -0.465 0.000 0.932 182 Q CA -0.879 54.696 55.803 -0.380 0.000 0.816 182 Q CB 0.119 28.751 28.738 -0.177 0.000 1.506 182 Q HN -0.063 nan 8.270 nan 0.000 0.399 183 F N 0.970 120.852 119.950 -0.114 0.000 2.399 183 F HA 0.680 5.207 4.527 0.000 0.000 0.334 183 F C -0.104 175.652 175.800 -0.073 0.000 1.097 183 F CA -0.491 57.453 58.000 -0.094 0.000 1.076 183 F CB 1.294 40.251 39.000 -0.072 0.000 1.162 183 F HN 0.352 nan 8.300 nan 0.000 0.495 184 L N 1.429 122.713 121.223 0.102 0.000 2.393 184 L HA 0.445 4.785 4.340 0.000 0.000 0.260 184 L C -0.649 176.235 176.870 0.024 0.000 1.002 184 L CA -1.220 53.652 54.840 0.054 0.000 0.818 184 L CB 2.328 44.426 42.059 0.066 0.000 1.369 184 L HN 0.420 nan 8.230 nan 0.000 0.412 185 E N 0.351 120.546 120.200 -0.008 0.000 2.354 185 E HA 0.276 4.626 4.350 0.000 0.000 0.269 185 E C 0.601 177.109 176.600 -0.153 0.000 1.036 185 E CA 0.504 56.860 56.400 -0.074 0.000 0.876 185 E CB 1.808 31.463 29.700 -0.074 0.000 1.009 185 E HN 0.588 nan 8.360 nan 0.000 0.416 186 A N 2.952 125.554 122.820 -0.364 0.000 1.940 186 A HA -0.204 4.116 4.320 0.000 0.000 0.219 186 A C 2.165 179.296 177.584 -0.756 0.000 1.176 186 A CA 2.221 53.857 52.037 -0.669 0.000 0.631 186 A CB -0.797 17.334 19.000 -1.448 0.000 0.814 186 A HN 0.692 nan 8.150 nan 0.000 0.446 187 T N -0.760 113.396 114.554 -0.662 0.000 2.788 187 T HA -0.127 4.223 4.350 0.000 0.000 0.268 187 T C 1.538 176.181 174.700 -0.094 0.000 1.044 187 T CA 1.755 63.717 62.100 -0.230 0.000 1.139 187 T CB -0.458 68.403 68.868 -0.012 0.000 0.867 187 T HN 0.490 nan 8.240 nan 0.000 0.454 188 D N -0.483 119.866 120.400 -0.086 0.000 2.123 188 D HA -0.037 4.603 4.640 0.000 0.000 0.200 188 D C 1.564 177.858 176.300 -0.011 0.000 0.976 188 D CA 0.681 54.656 54.000 -0.042 0.000 0.831 188 D CB -0.421 40.358 40.800 -0.034 0.000 0.974 188 D HN 0.551 nan 8.370 nan 0.000 0.469 189 W N 1.664 122.879 121.300 -0.141 0.000 2.354 189 W HA -0.178 4.482 4.660 0.000 0.000 0.315 189 W C 2.141 178.624 176.519 -0.060 0.000 1.206 189 W CA 0.923 58.209 57.345 -0.098 0.000 1.290 189 W CB -0.614 28.786 29.460 -0.100 0.000 1.152 189 W HN -0.107 nan 8.180 nan 0.000 0.489 190 I N 1.047 121.513 120.570 -0.173 0.000 2.208 190 I HA -0.273 3.897 4.170 0.000 0.000 0.245 190 I C 2.540 178.499 176.117 -0.263 0.000 1.097 190 I CA 2.317 63.419 61.300 -0.330 0.000 1.363 190 I CB -1.079 36.892 38.000 -0.049 0.000 1.051 190 I HN 0.069 nan 8.210 nan 0.000 0.413 191 V N -1.025 118.810 119.914 -0.131 0.000 2.626 191 V HA -0.157 3.963 4.120 0.000 0.000 0.252 191 V C 2.344 178.349 176.094 -0.149 0.000 1.067 191 V CA 1.882 64.129 62.300 -0.088 0.000 1.081 191 V CB -1.686 30.115 31.823 -0.037 0.000 0.686 191 V HN 0.627 nan 8.190 nan 0.000 0.468 192 S N -1.217 114.348 115.700 -0.224 0.000 2.522 192 S HA -0.088 4.383 4.470 0.000 0.000 0.227 192 S C 1.898 176.318 174.600 -0.299 0.000 0.986 192 S CA 0.740 58.807 58.200 -0.222 0.000 0.929 192 S CB -0.315 62.770 63.200 -0.192 0.000 0.769 192 S HN 0.646 nan 8.310 nan 0.000 0.529 193 Q N 0.893 120.426 119.800 -0.445 0.000 2.137 193 Q HA 0.219 4.559 4.340 0.000 0.000 0.198 193 Q C 2.136 178.010 176.000 -0.210 0.000 0.960 193 Q CA 1.120 56.672 55.803 -0.418 0.000 0.847 193 Q CB -0.377 28.004 28.738 -0.595 0.000 0.915 193 Q HN 0.628 nan 8.270 nan 0.000 0.448 194 M N -0.769 118.733 119.600 -0.164 0.000 2.288 194 M HA -0.074 4.406 4.480 0.000 0.000 0.266 194 M C 1.956 178.217 176.300 -0.065 0.000 1.072 194 M CA 1.249 56.501 55.300 -0.081 0.000 1.132 194 M CB -0.028 32.547 32.600 -0.042 0.000 1.386 194 M HN 0.053 nan 8.290 nan 0.000 0.432 195 T N -1.471 113.036 114.554 -0.079 0.000 3.015 195 T HA 0.229 4.579 4.350 0.000 0.000 0.250 195 T C 1.213 175.878 174.700 -0.059 0.000 1.057 195 T CA 1.125 63.190 62.100 -0.058 0.000 1.066 195 T CB 0.114 68.951 68.868 -0.051 0.000 0.959 195 T HN 0.620 nan 8.240 nan 0.000 0.488 196 G N 1.473 110.225 108.800 -0.080 0.000 2.179 196 G HA2 -0.188 3.772 3.960 0.000 0.000 0.260 196 G HA3 -0.188 3.772 3.960 0.000 0.000 0.260 196 G C -0.011 174.854 174.900 -0.058 0.000 0.977 196 G CA 0.264 45.323 45.100 -0.067 0.000 0.641 196 G HN 0.565 nan 8.290 nan 0.000 0.533 197 K N 0.213 120.575 120.400 -0.063 0.000 2.422 197 K HA 0.584 4.904 4.320 0.000 0.000 0.251 197 K C 0.441 177.007 176.600 -0.057 0.000 0.933 197 K CA -1.025 55.231 56.287 -0.052 0.000 0.798 197 K CB 1.993 34.468 32.500 -0.042 0.000 1.238 197 K HN 0.388 nan 8.250 nan 0.000 0.428 198 I N 0.079 120.622 120.570 -0.045 0.000 2.396 198 I HA 0.378 4.548 4.170 0.000 0.000 0.289 198 I C -0.355 175.734 176.117 -0.047 0.000 1.056 198 I CA -0.611 60.665 61.300 -0.040 0.000 1.365 198 I CB 0.975 38.959 38.000 -0.027 0.000 1.407 198 I HN 0.159 nan 8.210 nan 0.000 0.509 199 V N 7.011 126.892 119.914 -0.055 0.000 2.559 199 V HA 0.318 4.438 4.120 0.000 0.000 0.289 199 V C -0.373 175.670 176.094 -0.085 0.000 1.036 199 V CA -0.622 61.638 62.300 -0.068 0.000 0.887 199 V CB 1.542 33.327 31.823 -0.062 0.000 1.022 199 V HN 0.751 nan 8.190 nan 0.000 0.442 200 K N 5.930 126.266 120.400 -0.106 0.000 2.379 200 K HA 0.248 4.568 4.320 0.000 0.000 0.284 200 K C 0.279 176.764 176.600 -0.193 0.000 1.044 200 K CA -0.116 56.088 56.287 -0.139 0.000 0.974 200 K CB 0.613 33.019 32.500 -0.157 0.000 0.962 200 K HN 0.899 nan 8.250 nan 0.000 0.474 201 N N 0.634 119.228 118.700 -0.177 0.000 2.513 201 N HA -0.022 4.718 4.740 0.000 0.000 0.274 201 N C 0.557 175.904 175.510 -0.272 0.000 1.189 201 N CA -0.276 52.655 53.050 -0.199 0.000 0.975 201 N CB 1.141 39.534 38.487 -0.156 0.000 1.157 201 N HN 0.479 nan 8.380 nan 0.000 0.465 202 S N 0.348 115.882 115.700 -0.277 0.000 2.453 202 S HA -0.142 4.328 4.470 0.000 0.000 0.231 202 S C 1.942 176.469 174.600 -0.123 0.000 1.005 202 S CA 0.336 58.359 58.200 -0.295 0.000 0.949 202 S CB -0.784 62.338 63.200 -0.130 0.000 0.774 202 S HN 0.729 nan 8.310 nan 0.000 0.510 203 C N 2.986 122.227 119.300 -0.098 0.000 2.496 203 C HA -0.069 4.391 4.460 0.000 0.000 0.281 203 C C 3.277 178.289 174.990 0.035 0.000 1.250 203 C CA 1.748 60.755 59.018 -0.019 0.000 1.717 203 C CB -1.465 26.220 27.740 -0.093 0.000 2.082 203 C HN 0.783 nan 8.230 nan 0.000 0.472 204 T N 0.436 114.976 114.554 -0.023 0.000 2.788 204 T HA -0.066 4.284 4.350 0.000 0.000 0.268 204 T C 1.971 176.666 174.700 -0.008 0.000 1.044 204 T CA 1.838 63.935 62.100 -0.005 0.000 1.139 204 T CB -0.806 68.049 68.868 -0.020 0.000 0.867 204 T HN 0.665 nan 8.240 nan 0.000 0.454 205 A N 1.998 124.786 122.820 -0.053 0.000 1.877 205 A HA 0.226 4.546 4.320 0.000 0.000 0.216 205 A C 2.727 180.409 177.584 0.163 0.000 1.186 205 A CA 1.770 53.798 52.037 -0.015 0.000 0.620 205 A CB -1.615 17.183 19.000 -0.337 0.000 0.822 205 A HN 0.605 nan 8.150 nan 0.000 0.443 206 G N -1.725 107.178 108.800 0.172 0.000 2.414 206 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 206 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 206 G C 1.487 176.360 174.900 -0.045 0.000 1.188 206 G CA 1.151 46.333 45.100 0.138 0.000 0.783 206 G HN 0.574 nan 8.290 nan 0.000 0.537 207 Y N 0.367 120.665 120.300 -0.004 0.000 2.337 207 Y HA 0.142 4.692 4.550 0.000 0.000 0.293 207 Y C 2.536 178.095 175.900 -0.569 0.000 1.123 207 Y CA 1.211 59.227 58.100 -0.140 0.000 1.201 207 Y CB 0.309 38.660 38.460 -0.181 0.000 1.011 207 Y HN 0.043 nan 8.280 nan 0.000 0.545 208 K N -0.879 119.343 120.400 -0.297 0.000 2.380 208 K HA 0.336 4.656 4.320 0.000 0.000 0.198 208 K C 0.891 177.413 176.600 -0.131 0.000 1.070 208 K CA 0.554 56.562 56.287 -0.466 0.000 1.040 208 K CB 0.863 33.219 32.500 -0.241 0.000 0.903 208 K HN 0.059 nan 8.250 nan 0.000 0.549 209 A N 0.975 123.798 122.820 0.006 0.000 2.637 209 A HA 0.279 4.599 4.320 0.000 0.000 0.293 209 A C -0.100 177.637 177.584 0.255 0.000 1.216 209 A CA -0.338 51.793 52.037 0.157 0.000 0.956 209 A CB -0.231 18.924 19.000 0.258 0.000 1.174 209 A HN 0.157 nan 8.150 nan 0.000 0.525 210 I N -1.856 118.730 120.570 0.028 0.000 6.267 210 I HA -0.232 3.938 4.170 0.000 0.000 0.126 210 I C 0.143 176.421 176.117 0.268 0.000 1.812 210 I CA 0.637 61.914 61.300 -0.039 0.000 2.110 210 I CB -2.421 35.382 38.000 -0.330 0.000 3.441 210 I HN 0.745 nan 8.210 nan 0.000 0.191 211 W N 2.692 124.047 121.300 0.092 0.000 2.381 211 W HA 0.589 5.249 4.660 0.000 0.000 0.329 211 W C 0.275 176.757 176.519 -0.061 0.000 1.157 211 W CA -0.297 56.945 57.345 -0.172 0.000 1.240 211 W CB 0.671 29.883 29.460 -0.412 0.000 1.199 211 W HN 0.225 nan 8.180 nan 0.000 0.579 212 H N 3.678 121.934 119.070 -1.356 0.000 2.782 212 H HA 0.199 4.755 4.556 0.000 0.000 0.347 212 H C 0.902 175.187 175.328 -1.739 0.000 1.038 212 H CA -0.657 54.664 56.048 -1.211 0.000 1.255 212 H CB 1.810 31.231 29.762 -0.569 0.000 1.623 212 H HN 0.464 nan 8.280 nan 0.000 0.525 213 K N 2.953 122.192 120.400 -1.934 0.000 2.044 213 K HA -0.159 4.161 4.320 0.000 0.000 0.210 213 K C 1.427 177.643 176.600 -0.641 0.000 1.049 213 K CA 1.890 57.464 56.287 -1.188 0.000 0.927 213 K CB 0.180 32.281 32.500 -0.664 0.000 0.713 213 K HN 0.538 nan 8.250 nan 0.000 0.443 214 R N 0.195 120.290 120.500 -0.675 0.000 2.066 214 R HA 0.102 4.442 4.340 0.000 0.000 0.224 214 R C 1.726 177.985 176.300 -0.069 0.000 1.122 214 R CA 1.721 57.673 56.100 -0.247 0.000 0.974 214 R CB -0.017 30.206 30.300 -0.129 0.000 0.871 214 R HN 0.348 nan 8.270 nan 0.000 0.435 215 E N -0.352 119.914 120.200 0.109 0.000 2.474 215 E HA 0.225 4.575 4.350 0.000 0.000 0.195 215 E C 0.590 177.177 176.600 -0.022 0.000 1.039 215 E CA 0.207 56.639 56.400 0.053 0.000 0.881 215 E CB 0.600 30.321 29.700 0.036 0.000 0.970 215 E HN 0.381 nan 8.360 nan 0.000 0.486 216 G N 1.014 109.708 108.800 -0.176 0.000 2.569 216 G HA2 -0.336 3.624 3.960 0.000 0.000 0.259 216 G HA3 -0.336 3.624 3.960 0.000 0.000 0.259 216 G C -0.310 174.506 174.900 -0.140 0.000 1.263 216 G CA -0.199 44.792 45.100 -0.182 0.000 0.928 216 G HN 0.252 nan 8.290 nan 0.000 0.572 217 Y N 1.295 121.703 120.300 0.179 0.000 2.240 217 Y HA 0.466 5.016 4.550 0.000 0.000 0.341 217 Y C -1.201 174.792 175.900 0.154 0.000 1.326 217 Y CA -0.832 57.390 58.100 0.203 0.000 1.569 217 Y CB 0.200 38.830 38.460 0.283 0.000 1.426 217 Y HN 0.391 nan 8.280 nan 0.000 0.587 218 P HA 0.057 nan 4.420 nan 0.000 0.274 218 P C -0.851 176.633 177.300 0.307 0.000 1.237 218 P CA -0.418 62.748 63.100 0.110 0.000 0.793 218 P CB 0.608 32.071 31.700 -0.395 0.000 0.977 219 S N 0.718 116.542 115.700 0.207 0.000 2.580 219 S HA 0.014 4.484 4.470 0.000 0.000 0.261 219 S C 1.011 175.815 174.600 0.340 0.000 1.366 219 S CA 0.133 58.475 58.200 0.238 0.000 0.996 219 S CB -0.173 63.122 63.200 0.158 0.000 0.902 219 S HN 0.407 nan 8.310 nan 0.000 0.566 220 N N 0.596 119.437 118.700 0.236 0.000 2.216 220 N HA -0.096 4.644 4.740 0.000 0.000 0.183 220 N C 1.566 177.144 175.510 0.114 0.000 1.017 220 N CA 0.864 54.015 53.050 0.168 0.000 0.861 220 N CB -0.103 38.371 38.487 -0.022 0.000 0.986 220 N HN 0.604 nan 8.380 nan 0.000 0.428 221 E N 0.999 121.255 120.200 0.093 0.000 2.085 221 E HA -0.188 4.162 4.350 0.000 0.000 0.194 221 E C 1.659 178.282 176.600 0.039 0.000 0.994 221 E CA 0.786 57.215 56.400 0.048 0.000 0.801 221 E CB -0.344 29.390 29.700 0.056 0.000 0.743 221 E HN 0.364 nan 8.360 nan 0.000 0.453 222 F N 0.706 120.626 119.950 -0.049 0.000 2.069 222 F HA -0.217 4.310 4.527 0.000 0.000 0.298 222 F C 2.124 177.792 175.800 -0.220 0.000 1.113 222 F CA 1.466 59.377 58.000 -0.149 0.000 1.214 222 F CB -0.600 38.261 39.000 -0.232 0.000 0.978 222 F HN -0.087 nan 8.300 nan 0.000 0.474 223 F N 0.727 120.611 119.950 -0.110 0.000 2.216 223 F HA -0.145 4.382 4.527 0.000 0.000 0.300 223 F C 2.504 178.080 175.800 -0.373 0.000 1.085 223 F CA 1.661 59.484 58.000 -0.294 0.000 1.326 223 F CB -0.644 38.274 39.000 -0.137 0.000 1.027 223 F HN -0.044 nan 8.300 nan 0.000 0.497 224 K N 0.725 121.070 120.400 -0.093 0.000 2.211 224 K HA -0.093 4.227 4.320 0.000 0.000 0.203 224 K C 2.160 178.642 176.600 -0.197 0.000 1.050 224 K CA 0.964 57.168 56.287 -0.139 0.000 0.945 224 K CB -0.178 32.263 32.500 -0.097 0.000 0.732 224 K HN 0.213 nan 8.250 nan 0.000 0.451 225 A N 1.033 123.695 122.820 -0.265 0.000 1.969 225 A HA -0.082 4.238 4.320 0.000 0.000 0.218 225 A C 1.899 179.286 177.584 -0.330 0.000 1.169 225 A CA 0.823 52.697 52.037 -0.271 0.000 0.635 225 A CB -0.247 18.570 19.000 -0.304 0.000 0.810 225 A HN 0.214 nan 8.150 nan 0.000 0.445 226 L N -0.704 120.205 121.223 -0.523 0.000 2.072 226 L HA 0.123 4.463 4.340 0.000 0.000 0.205 226 L C 0.443 177.013 176.870 -0.501 0.000 1.079 226 L CA 1.418 55.871 54.840 -0.646 0.000 0.752 226 L CB -0.912 40.428 42.059 -1.199 0.000 0.906 226 L HN 0.449 nan 8.230 nan 0.000 0.436 227 D N -2.633 117.494 120.400 -0.455 0.000 2.787 227 D HA 0.122 4.762 4.640 0.000 0.000 0.215 227 D C -2.281 173.894 176.300 -0.209 0.000 1.246 227 D CA -1.051 52.784 54.000 -0.275 0.000 0.798 227 D CB 2.580 43.179 40.800 -0.335 0.000 1.649 227 D HN -0.240 nan 8.370 nan 0.000 0.507 228 P HA -0.020 nan 4.420 nan 0.000 0.219 228 P C 0.962 178.222 177.300 -0.066 0.000 1.146 228 P CA 1.016 64.068 63.100 -0.080 0.000 0.808 228 P CB 0.270 31.946 31.700 -0.041 0.000 0.779 229 R N -1.020 119.432 120.500 -0.081 0.000 2.280 229 R HA 0.086 4.426 4.340 0.000 0.000 0.207 229 R C 1.522 177.781 176.300 -0.068 0.000 1.043 229 R CA 0.629 56.698 56.100 -0.050 0.000 1.006 229 R CB -0.467 29.780 30.300 -0.088 0.000 0.885 229 R HN 0.276 nan 8.270 nan 0.000 0.467 230 L N -0.020 121.111 121.223 -0.154 0.000 2.640 230 L HA 0.110 4.450 4.340 0.000 0.000 0.230 230 L C 1.994 178.798 176.870 -0.111 0.000 1.123 230 L CA 0.008 54.757 54.840 -0.153 0.000 0.900 230 L CB 0.004 41.890 42.059 -0.288 0.000 1.146 230 L HN 0.192 nan 8.230 nan 0.000 0.484 231 E N 0.628 120.759 120.200 -0.116 0.000 2.114 231 E HA -0.245 4.105 4.350 0.000 0.000 0.199 231 E C 0.851 177.232 176.600 -0.365 0.000 1.008 231 E CA 1.302 57.568 56.400 -0.223 0.000 0.810 231 E CB 0.169 29.679 29.700 -0.317 0.000 0.739 231 E HN 0.554 nan 8.360 nan 0.000 0.456 232 H N -0.310 118.742 119.070 -0.032 0.000 2.472 232 H HA 0.047 4.603 4.556 0.000 0.000 0.287 232 H C 1.328 176.580 175.328 -0.127 0.000 1.112 232 H CA -0.163 55.850 56.048 -0.057 0.000 1.021 232 H CB 0.667 30.415 29.762 -0.024 0.000 1.635 232 H HN 0.199 nan 8.280 nan 0.000 0.559 233 L N 0.852 121.970 121.223 -0.174 0.000 2.042 233 L HA -0.141 4.199 4.340 0.000 0.000 0.210 233 L C 1.941 178.620 176.870 -0.318 0.000 1.076 233 L CA 1.811 56.502 54.840 -0.248 0.000 0.749 233 L CB -0.630 41.144 42.059 -0.475 0.000 0.893 233 L HN 0.063 nan 8.230 nan 0.000 0.432 234 T N -1.145 113.147 114.554 -0.436 0.000 2.881 234 T HA -0.108 4.242 4.350 0.000 0.000 0.270 234 T C 1.310 175.930 174.700 -0.133 0.000 1.068 234 T CA 1.655 63.524 62.100 -0.384 0.000 1.131 234 T CB -0.443 68.260 68.868 -0.273 0.000 0.871 234 T HN 0.671 nan 8.240 nan 0.000 0.479 235 T N -0.566 113.959 114.554 -0.048 0.000 3.176 235 T HA 0.252 4.602 4.350 0.000 0.000 0.263 235 T C 1.316 176.000 174.700 -0.027 0.000 1.021 235 T CA 0.333 62.434 62.100 0.002 0.000 0.905 235 T CB 0.115 69.015 68.868 0.053 0.000 1.057 235 T HN 0.495 nan 8.240 nan 0.000 0.558 236 T N -0.088 114.433 114.554 -0.055 0.000 3.422 236 T HA 0.261 4.611 4.350 0.000 0.000 0.179 236 T C 1.297 175.934 174.700 -0.104 0.000 0.946 236 T CA -0.509 61.546 62.100 -0.075 0.000 1.025 236 T CB 0.113 68.941 68.868 -0.066 0.000 1.298 236 T HN 0.079 nan 8.240 nan 0.000 0.312 237 K N 1.402 121.736 120.400 -0.110 0.000 2.525 237 K HA 0.354 4.674 4.320 0.000 0.000 0.192 237 K C 0.805 177.394 176.600 -0.019 0.000 1.029 237 K CA 0.416 56.636 56.287 -0.111 0.000 1.029 237 K CB 0.135 32.583 32.500 -0.087 0.000 0.814 237 K HN 0.396 nan 8.250 nan 0.000 0.503 238 L N 1.390 122.569 121.223 -0.073 0.000 3.429 238 L HA 0.149 4.489 4.340 0.000 0.000 0.311 238 L C 0.326 177.138 176.870 -0.096 0.000 1.274 238 L CA -0.420 54.361 54.840 -0.099 0.000 1.037 238 L CB 0.430 42.346 42.059 -0.239 0.000 1.433 238 L HN 0.126 nan 8.230 nan 0.000 0.614 239 R N 0.469 120.931 120.500 -0.064 0.000 2.863 239 R HA 0.567 4.907 4.340 0.000 0.000 0.273 239 R C 0.144 176.444 176.300 -0.000 0.000 1.057 239 R CA 0.520 56.609 56.100 -0.018 0.000 1.191 239 R CB 0.253 30.537 30.300 -0.028 0.000 1.104 239 R HN -0.002 nan 8.270 nan 0.000 0.519 240 G N 0.419 109.229 108.800 0.016 0.000 2.453 240 G HA2 -0.034 3.926 3.960 0.000 0.000 0.665 240 G HA3 -0.034 3.926 3.960 0.000 0.000 0.665 240 G C -1.663 173.224 174.900 -0.021 0.000 1.411 240 G CA -0.724 44.369 45.100 -0.011 0.000 0.889 240 G HN 0.669 nan 8.290 nan 0.000 0.651 241 D N 0.009 120.379 120.400 -0.049 0.000 2.341 241 D HA 0.443 5.083 4.640 0.000 0.000 0.245 241 D C 0.197 176.393 176.300 -0.173 0.000 1.106 241 D CA 0.270 54.226 54.000 -0.073 0.000 0.905 241 D CB 1.768 42.537 40.800 -0.050 0.000 1.202 241 D HN 0.252 nan 8.370 nan 0.000 0.426 242 I N 1.746 122.149 120.570 -0.277 0.000 2.312 242 I HA 0.077 4.247 4.170 0.000 0.000 0.290 242 I C 0.322 176.248 176.117 -0.317 0.000 1.008 242 I CA -0.712 60.284 61.300 -0.507 0.000 1.226 242 I CB 1.413 38.646 38.000 -1.278 0.000 1.371 242 I HN 0.089 nan 8.210 nan 0.000 0.468 243 V N 5.189 124.957 119.914 -0.244 0.000 2.713 243 V HA 0.767 4.887 4.120 0.000 0.000 0.307 243 V C -2.647 173.363 176.094 -0.140 0.000 1.052 243 V CA -2.376 59.839 62.300 -0.142 0.000 0.967 243 V CB 1.308 33.071 31.823 -0.100 0.000 1.019 243 V HN 0.461 nan 8.190 nan 0.000 0.459 244 P HA 0.335 nan 4.420 nan 0.000 0.274 244 P C -0.658 176.595 177.300 -0.078 0.000 1.237 244 P CA -0.487 62.582 63.100 -0.052 0.000 0.793 244 P CB 0.390 32.091 31.700 0.002 0.000 0.977 245 L N 1.556 122.703 121.223 -0.126 0.000 2.485 245 L HA 0.270 4.610 4.340 0.000 0.000 0.275 245 L C 1.817 178.640 176.870 -0.078 0.000 1.207 245 L CA 1.956 56.611 54.840 -0.308 0.000 0.855 245 L CB -1.269 40.390 42.059 -0.665 0.000 1.114 245 L HN 0.840 nan 8.230 nan 0.000 0.485 246 G N 0.661 109.459 108.800 -0.003 0.000 2.213 246 G HA2 -0.184 3.776 3.960 0.000 0.000 0.236 246 G HA3 -0.184 3.776 3.960 0.000 0.000 0.236 246 G C 0.408 175.401 174.900 0.156 0.000 0.991 246 G CA -0.248 45.056 45.100 0.340 0.000 0.629 246 G HN 0.488 nan 8.290 nan 0.000 0.517 247 E N 0.654 120.891 120.200 0.062 0.000 2.369 247 E HA 0.434 4.784 4.350 0.000 0.000 0.255 247 E C 0.955 177.573 176.600 0.030 0.000 1.172 247 E CA -0.483 55.939 56.400 0.037 0.000 0.932 247 E CB 0.489 30.190 29.700 0.002 0.000 1.040 247 E HN 0.734 nan 8.360 nan 0.000 0.454 248 R N -0.194 120.319 120.500 0.022 0.000 2.265 248 R HA 0.534 4.874 4.340 0.000 0.000 0.319 248 R C 0.236 176.535 176.300 -0.002 0.000 1.006 248 R CA -0.205 55.905 56.100 0.017 0.000 0.880 248 R CB 0.894 31.205 30.300 0.018 0.000 1.077 248 R HN 0.419 nan 8.270 nan 0.000 0.454 249 A N 3.191 126.007 122.820 -0.007 0.000 2.167 249 A HA 0.301 4.621 4.320 0.000 0.000 0.214 249 A C 0.975 178.546 177.584 -0.021 0.000 1.151 249 A CA 0.852 52.875 52.037 -0.023 0.000 0.735 249 A CB -0.279 18.704 19.000 -0.030 0.000 0.802 249 A HN 1.155 nan 8.150 nan 0.000 0.467 250 G N -2.914 105.879 108.800 -0.012 0.000 2.346 250 G HA2 0.465 4.425 3.960 0.000 0.000 0.294 250 G HA3 0.465 4.425 3.960 0.000 0.000 0.294 250 G C -0.104 174.792 174.900 -0.007 0.000 1.294 250 G CA -0.333 44.760 45.100 -0.012 0.000 0.962 250 G HN 1.051 nan 8.290 nan 0.000 0.508 251 G N -0.640 108.155 108.800 -0.009 0.000 2.377 251 G HA2 0.715 4.675 3.960 0.000 0.000 0.299 251 G HA3 0.715 4.675 3.960 0.000 0.000 0.299 251 G C 0.467 175.361 174.900 -0.010 0.000 1.150 251 G CA -0.052 45.045 45.100 -0.005 0.000 0.847 251 G HN 1.706 nan 8.290 nan 0.000 0.501 252 L N 2.032 123.251 121.223 -0.005 0.000 2.455 252 L HA 0.430 4.770 4.340 0.000 0.000 0.272 252 L C 0.100 176.963 176.870 -0.012 0.000 1.174 252 L CA -0.737 54.096 54.840 -0.010 0.000 0.869 252 L CB 0.314 42.372 42.059 -0.002 0.000 1.130 252 L HN 0.304 nan 8.230 nan 0.000 0.474 253 L N 5.290 126.502 121.223 -0.019 0.000 2.506 253 L HA 0.030 4.370 4.340 0.000 0.000 0.281 253 L C -1.217 175.646 176.870 -0.011 0.000 1.228 253 L CA -1.066 53.764 54.840 -0.017 0.000 0.850 253 L CB -0.058 41.987 42.059 -0.024 0.000 1.110 253 L HN 0.577 nan 8.230 nan 0.000 0.496 254 P HA -0.234 nan 4.420 nan 0.000 0.214 254 P C 1.302 178.599 177.300 -0.004 0.000 1.169 254 P CA 1.371 64.468 63.100 -0.005 0.000 0.908 254 P CB 0.001 31.698 31.700 -0.005 0.000 0.791 255 E N -0.631 119.566 120.200 -0.005 0.000 2.114 255 E HA -0.221 4.129 4.350 0.000 0.000 0.199 255 E C 1.844 178.443 176.600 -0.001 0.000 1.008 255 E CA 1.525 57.923 56.400 -0.002 0.000 0.810 255 E CB -1.362 28.336 29.700 -0.002 0.000 0.739 255 E HN 0.228 nan 8.360 nan 0.000 0.456 256 M N 0.786 120.383 119.600 -0.005 0.000 2.156 256 M HA 0.082 4.562 4.480 0.000 0.000 0.264 256 M C 2.495 178.796 176.300 0.001 0.000 1.067 256 M CA 1.372 56.670 55.300 -0.003 0.000 1.131 256 M CB -1.094 31.498 32.600 -0.013 0.000 1.368 256 M HN 0.239 nan 8.290 nan 0.000 0.416 257 A N 0.136 122.956 122.820 -0.001 0.000 1.908 257 A HA -0.238 4.082 4.320 0.000 0.000 0.218 257 A C 2.088 179.673 177.584 0.001 0.000 1.181 257 A CA 2.193 54.231 52.037 0.001 0.000 0.627 257 A CB -0.840 18.160 19.000 0.001 0.000 0.818 257 A HN 0.607 nan 8.150 nan 0.000 0.445 258 E N -0.020 120.180 120.200 0.000 0.000 2.058 258 E HA -0.229 4.121 4.350 0.000 0.000 0.194 258 E C 1.916 178.517 176.600 0.001 0.000 0.997 258 E CA 1.650 58.050 56.400 0.000 0.000 0.801 258 E CB -0.152 29.549 29.700 0.001 0.000 0.746 258 E HN 0.606 nan 8.360 nan 0.000 0.450 259 K N -0.522 119.881 120.400 0.004 0.000 2.283 259 K HA -0.046 4.274 4.320 0.000 0.000 0.202 259 K C 1.919 178.522 176.600 0.005 0.000 1.048 259 K CA 1.215 57.506 56.287 0.007 0.000 0.948 259 K CB 0.032 32.540 32.500 0.014 0.000 0.742 259 K HN 0.314 nan 8.250 nan 0.000 0.458 260 M N -0.915 118.687 119.600 0.004 0.000 2.465 260 M HA 0.112 4.592 4.480 0.000 0.000 0.249 260 M C 0.686 176.980 176.300 -0.010 0.000 1.130 260 M CA 0.429 55.729 55.300 0.001 0.000 1.067 260 M CB 0.897 33.503 32.600 0.009 0.000 1.394 260 M HN 0.300 nan 8.290 nan 0.000 0.483 261 G N 2.132 110.926 108.800 -0.009 0.000 2.182 261 G HA2 -0.210 3.750 3.960 0.000 0.000 0.248 261 G HA3 -0.210 3.750 3.960 0.000 0.000 0.248 261 G C -0.370 174.523 174.900 -0.012 0.000 1.042 261 G CA -0.115 44.976 45.100 -0.014 0.000 0.775 261 G HN 0.387 nan 8.290 nan 0.000 0.501 262 L N -1.107 120.114 121.223 -0.004 0.000 2.303 262 L HA 0.487 4.827 4.340 0.000 0.000 0.256 262 L C 0.510 177.382 176.870 0.003 0.000 1.034 262 L CA -1.254 53.586 54.840 0.001 0.000 0.832 262 L CB 1.432 43.495 42.059 0.006 0.000 1.403 262 L HN 0.143 nan 8.230 nan 0.000 0.419 263 N N 2.056 120.760 118.700 0.007 0.000 2.520 263 N HA 0.208 4.948 4.740 0.000 0.000 0.273 263 N C -2.428 173.086 175.510 0.006 0.000 1.155 263 N CA -1.217 51.837 53.050 0.007 0.000 0.967 263 N CB 0.644 39.137 38.487 0.009 0.000 1.092 263 N HN 0.320 nan 8.380 nan 0.000 0.457 264 P HA 0.032 nan 4.420 nan 0.000 0.272 264 P C 0.662 177.963 177.300 0.001 0.000 1.223 264 P CA 0.290 63.390 63.100 0.001 0.000 0.784 264 P CB 0.802 32.501 31.700 -0.001 0.000 0.923 265 G N 1.686 110.486 108.800 -0.000 0.000 2.179 265 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 265 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 265 G C 0.399 175.301 174.900 0.004 0.000 0.977 265 G CA 0.296 45.396 45.100 -0.000 0.000 0.641 265 G HN 0.764 nan 8.290 nan 0.000 0.533 266 I N -0.549 120.026 120.570 0.008 0.000 2.836 266 I HA 0.630 4.800 4.170 0.000 0.000 0.285 266 I C 0.900 177.026 176.117 0.015 0.000 1.174 266 I CA -0.456 60.852 61.300 0.013 0.000 1.405 266 I CB 0.711 38.723 38.000 0.020 0.000 1.385 266 I HN 0.480 nan 8.210 nan 0.000 0.594 267 A N 5.305 128.137 122.820 0.020 0.000 2.477 267 A HA 0.466 4.786 4.320 0.000 0.000 0.246 267 A C -0.111 177.491 177.584 0.031 0.000 1.078 267 A CA -0.254 51.797 52.037 0.024 0.000 0.770 267 A CB 0.151 19.168 19.000 0.030 0.000 1.011 267 A HN 0.594 nan 8.150 nan 0.000 0.494 268 V N 2.881 122.810 119.914 0.025 0.000 2.378 268 V HA 0.536 4.656 4.120 0.000 0.000 0.288 268 V C 0.808 176.921 176.094 0.031 0.000 1.016 268 V CA -0.233 62.084 62.300 0.029 0.000 0.840 268 V CB 0.915 32.745 31.823 0.011 0.000 0.994 268 V HN 1.217 nan 8.190 nan 0.000 0.431 269 A N 4.770 127.621 122.820 0.052 0.000 2.327 269 A HA 0.645 4.966 4.320 0.000 0.000 0.255 269 A C 0.346 177.938 177.584 0.014 0.000 1.099 269 A CA -0.178 51.889 52.037 0.051 0.000 0.801 269 A CB 0.524 19.584 19.000 0.100 0.000 1.062 269 A HN 1.284 nan 8.150 nan 0.000 0.496 270 V N -0.532 119.369 119.914 -0.021 0.000 2.834 270 V HA 0.623 4.743 4.120 0.000 0.000 0.301 270 V C 1.009 177.068 176.094 -0.058 0.000 1.066 270 V CA -0.526 61.743 62.300 -0.052 0.000 1.052 270 V CB 0.020 31.791 31.823 -0.085 0.000 1.021 270 V HN 1.343 nan 8.190 nan 0.000 0.480 271 G N 2.283 111.057 108.800 -0.043 0.000 2.562 271 G HA2 0.211 4.171 3.960 0.000 0.000 0.233 271 G HA3 0.211 4.171 3.960 0.000 0.000 0.233 271 G C -0.180 174.689 174.900 -0.050 0.000 1.266 271 G CA -0.325 44.769 45.100 -0.010 0.000 0.852 271 G HN 0.880 nan 8.290 nan 0.000 0.581 272 N N -1.089 117.617 118.700 0.010 0.000 2.653 272 N HA 0.570 5.310 4.740 0.000 0.000 0.294 272 N C -0.998 174.567 175.510 0.091 0.000 1.305 272 N CA -0.518 52.523 53.050 -0.015 0.000 0.827 272 N CB 2.193 40.674 38.487 -0.010 0.000 1.415 272 N HN 0.241 nan 8.380 nan 0.000 0.546 273 V N 1.151 121.133 119.914 0.114 0.000 2.604 273 V HA 0.088 4.208 4.120 0.000 0.000 0.305 273 V C 0.495 176.674 176.094 0.142 0.000 1.043 273 V CA -0.650 61.755 62.300 0.174 0.000 0.888 273 V CB 1.716 33.700 31.823 0.268 0.000 0.995 273 V HN 0.772 nan 8.190 nan 0.000 0.429 274 D N 4.472 124.929 120.400 0.095 0.000 2.177 274 D HA -0.288 4.352 4.640 0.000 0.000 0.189 274 D C 1.878 178.166 176.300 -0.020 0.000 1.002 274 D CA 2.068 56.084 54.000 0.028 0.000 0.845 274 D CB -0.357 40.432 40.800 -0.019 0.000 0.960 274 D HN 0.595 nan 8.370 nan 0.000 0.447 275 A N 0.405 123.162 122.820 -0.104 0.000 1.851 275 A HA -0.248 4.072 4.320 0.000 0.000 0.216 275 A C 2.238 179.695 177.584 -0.211 0.000 1.195 275 A CA 1.881 53.788 52.037 -0.216 0.000 0.622 275 A CB -1.122 17.649 19.000 -0.381 0.000 0.831 275 A HN 0.462 nan 8.150 nan 0.000 0.444 276 H N -0.383 118.658 119.070 -0.049 0.000 2.422 276 H HA -0.083 4.473 4.556 0.000 0.000 0.298 276 H C 2.434 177.797 175.328 0.060 0.000 1.098 276 H CA 1.436 57.472 56.048 -0.021 0.000 1.315 276 H CB -0.463 29.270 29.762 -0.048 0.000 1.382 276 H HN 0.551 nan 8.280 nan 0.000 0.523 277 A N 1.254 124.180 122.820 0.178 0.000 2.015 277 A HA 0.019 4.339 4.320 0.000 0.000 0.219 277 A C 2.673 180.340 177.584 0.137 0.000 1.163 277 A CA 1.140 53.305 52.037 0.213 0.000 0.646 277 A CB -0.555 18.552 19.000 0.179 0.000 0.806 277 A HN 0.424 nan 8.150 nan 0.000 0.448 278 A N -0.359 122.497 122.820 0.059 0.000 2.070 278 A HA 0.039 4.359 4.320 0.000 0.000 0.220 278 A C 2.130 179.716 177.584 0.004 0.000 1.159 278 A CA 1.624 53.671 52.037 0.018 0.000 0.656 278 A CB -0.719 18.270 19.000 -0.018 0.000 0.800 278 A HN 0.349 nan 8.150 nan 0.000 0.453 279 V N 1.158 121.083 119.914 0.019 0.000 2.237 279 V HA -0.158 3.962 4.120 0.000 0.000 0.245 279 V C 0.052 176.104 176.094 -0.070 0.000 1.046 279 V CA 2.398 64.682 62.300 -0.026 0.000 1.007 279 V CB -1.575 30.256 31.823 0.012 0.000 0.638 279 V HN 0.472 nan 8.190 nan 0.000 0.445 280 P HA -0.110 nan 4.420 nan 0.000 0.221 280 P C 1.585 178.810 177.300 -0.125 0.000 1.150 280 P CA 1.946 64.968 63.100 -0.129 0.000 0.800 280 P CB -0.033 31.526 31.700 -0.234 0.000 0.787 281 A N 0.291 123.070 122.820 -0.068 0.000 1.978 281 A HA -0.132 4.188 4.320 0.000 0.000 0.220 281 A C 2.244 179.800 177.584 -0.047 0.000 1.170 281 A CA 1.796 53.805 52.037 -0.047 0.000 0.636 281 A CB -1.587 17.409 19.000 -0.007 0.000 0.810 281 A HN 0.204 nan 8.150 nan 0.000 0.448 282 V N -0.768 119.111 119.914 -0.059 0.000 3.633 282 V HA 0.410 4.530 4.120 0.000 0.000 0.283 282 V C 1.304 177.339 176.094 -0.098 0.000 1.305 282 V CA 1.216 63.495 62.300 -0.035 0.000 1.153 282 V CB -0.732 31.095 31.823 0.006 0.000 0.950 282 V HN 1.314 nan 8.190 nan 0.000 0.432 283 G N 0.183 108.900 108.800 -0.139 0.000 2.143 283 G HA2 -0.202 3.758 3.960 0.000 0.000 0.249 283 G HA3 -0.202 3.758 3.960 0.000 0.000 0.249 283 G C 0.121 174.867 174.900 -0.257 0.000 0.981 283 G CA 0.211 45.216 45.100 -0.158 0.000 0.665 283 G HN 0.625 nan 8.290 nan 0.000 0.528 284 V N 0.739 120.446 119.914 -0.345 0.000 2.406 284 V HA 0.702 4.822 4.120 0.000 0.000 0.272 284 V C 0.998 176.957 176.094 -0.225 0.000 1.043 284 V CA 1.051 63.116 62.300 -0.392 0.000 0.915 284 V CB 1.508 33.026 31.823 -0.509 0.000 0.988 284 V HN 0.476 nan 8.190 nan 0.000 0.466 285 T N 2.542 116.983 114.554 -0.188 0.000 3.403 285 T HA 0.231 4.581 4.350 0.000 0.000 0.308 285 T C 0.083 174.682 174.700 -0.169 0.000 0.952 285 T CA 0.534 62.562 62.100 -0.122 0.000 0.970 285 T CB -0.214 68.613 68.868 -0.068 0.000 1.189 285 T HN 0.858 nan 8.240 nan 0.000 0.528 286 T N -0.298 114.101 114.554 -0.259 0.000 2.843 286 T HA 0.723 5.073 4.350 0.000 0.000 0.302 286 T C -3.267 171.230 174.700 -0.338 0.000 1.232 286 T CA -1.663 60.227 62.100 -0.349 0.000 1.009 286 T CB 1.493 70.290 68.868 -0.119 0.000 1.254 286 T HN -0.202 nan 8.240 nan 0.000 0.504 287 P HA 0.449 nan 4.420 nan 0.000 0.273 287 P C 1.147 178.407 177.300 -0.066 0.000 1.250 287 P CA 1.024 64.013 63.100 -0.186 0.000 0.793 287 P CB 0.026 31.660 31.700 -0.110 0.000 1.011 288 G N -0.683 108.079 108.800 -0.064 0.000 2.179 288 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 288 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 288 G C -0.192 174.722 174.900 0.023 0.000 0.977 288 G CA 0.042 45.125 45.100 -0.028 0.000 0.641 288 G HN 0.546 nan 8.290 nan 0.000 0.533 289 K N 0.040 120.446 120.400 0.010 0.000 2.507 289 K HA 0.614 4.934 4.320 0.000 0.000 0.253 289 K C -0.484 176.152 176.600 0.059 0.000 0.969 289 K CA -0.780 55.572 56.287 0.108 0.000 0.908 289 K CB 2.277 34.829 32.500 0.086 0.000 1.127 289 K HN 0.156 nan 8.250 nan 0.000 0.437 290 L N 3.486 124.776 121.223 0.112 0.000 2.305 290 L HA 0.265 4.605 4.340 0.000 0.000 0.281 290 L C -0.789 176.180 176.870 0.165 0.000 1.085 290 L CA -0.559 54.332 54.840 0.085 0.000 0.813 290 L CB 0.990 43.106 42.059 0.094 0.000 1.157 290 L HN 0.307 nan 8.230 nan 0.000 0.436 291 V N 6.539 126.513 119.914 0.099 0.000 2.370 291 V HA 0.399 4.519 4.120 0.000 0.000 0.283 291 V C 0.089 176.217 176.094 0.056 0.000 1.023 291 V CA -0.408 61.947 62.300 0.091 0.000 0.857 291 V CB 1.435 33.262 31.823 0.008 0.000 0.985 291 V HN 0.739 nan 8.190 nan 0.000 0.443 292 M N 4.365 123.989 119.600 0.040 0.000 2.149 292 M HA 0.617 5.097 4.480 0.000 0.000 0.342 292 M C -0.004 176.235 176.300 -0.103 0.000 1.068 292 M CA -0.445 54.809 55.300 -0.078 0.000 0.991 292 M CB 1.878 34.451 32.600 -0.045 0.000 1.596 292 M HN 0.630 nan 8.290 nan 0.000 0.439 293 A N 5.582 128.313 122.820 -0.149 0.000 2.621 293 A HA 0.625 4.945 4.320 0.000 0.000 0.329 293 A C -0.301 177.201 177.584 -0.136 0.000 1.458 293 A CA -0.533 51.432 52.037 -0.121 0.000 1.052 293 A CB -0.155 18.769 19.000 -0.127 0.000 1.142 293 A HN 0.924 nan 8.150 nan 0.000 0.523 294 M N 2.753 122.278 119.600 -0.125 0.000 2.108 294 M HA 0.498 4.978 4.480 0.000 0.000 0.354 294 M C 0.975 177.223 176.300 -0.087 0.000 1.229 294 M CA 0.478 55.701 55.300 -0.129 0.000 1.081 294 M CB 1.364 33.856 32.600 -0.180 0.000 1.606 294 M HN 0.774 nan 8.290 nan 0.000 0.467 295 G N 0.519 109.277 108.800 -0.071 0.000 3.319 295 G HA2 0.062 4.022 3.960 0.000 0.000 0.158 295 G HA3 0.062 4.022 3.960 0.000 0.000 0.158 295 G C 0.371 175.248 174.900 -0.039 0.000 1.205 295 G CA -0.147 44.928 45.100 -0.042 0.000 1.252 295 G HN 0.402 nan 8.290 nan 0.000 0.668 296 T N 0.683 115.231 114.554 -0.010 0.000 2.759 296 T HA 0.120 4.470 4.350 0.000 0.000 0.269 296 T C 1.254 175.948 174.700 -0.010 0.000 1.042 296 T CA 2.229 64.333 62.100 0.008 0.000 1.140 296 T CB -0.457 68.449 68.868 0.065 0.000 0.864 296 T HN 0.925 nan 8.240 nan 0.000 0.455 297 S N -1.234 114.464 115.700 -0.003 0.000 2.903 297 S HA 0.722 5.192 4.470 0.000 0.000 0.314 297 S C -1.325 173.264 174.600 -0.018 0.000 1.177 297 S CA -1.101 57.107 58.200 0.012 0.000 0.859 297 S CB 1.597 64.834 63.200 0.062 0.000 1.265 297 S HN 0.184 nan 8.310 nan 0.000 0.584 298 I N 0.470 121.038 120.570 -0.003 0.000 2.533 298 I HA 0.450 4.620 4.170 0.000 0.000 0.290 298 I C -1.093 174.940 176.117 -0.139 0.000 1.056 298 I CA -0.670 60.562 61.300 -0.114 0.000 1.057 298 I CB 1.982 39.878 38.000 -0.174 0.000 1.240 298 I HN 0.820 nan 8.210 nan 0.000 0.423 299 C N 6.366 125.547 119.300 -0.198 0.000 2.264 299 C HA 0.535 4.995 4.460 0.000 0.000 0.324 299 C C -0.173 174.705 174.990 -0.187 0.000 1.267 299 C CA -0.338 58.608 59.018 -0.120 0.000 1.618 299 C CB -0.781 26.878 27.740 -0.135 0.000 2.278 299 C HN 0.721 nan 8.230 nan 0.000 0.499 300 H N 5.011 124.141 119.070 0.099 0.000 2.489 300 H HA 0.642 5.198 4.556 0.000 0.000 0.322 300 H C -0.081 175.310 175.328 0.106 0.000 1.091 300 H CA 0.098 56.223 56.048 0.128 0.000 1.291 300 H CB 0.976 30.876 29.762 0.230 0.000 1.436 300 H HN 0.623 nan 8.280 nan 0.000 0.480 301 M N 3.197 122.881 119.600 0.140 0.000 2.457 301 M HA 0.418 4.898 4.480 0.000 0.000 0.300 301 M C -1.599 174.702 176.300 0.002 0.000 1.141 301 M CA -0.906 54.440 55.300 0.076 0.000 0.901 301 M CB 2.718 35.330 32.600 0.019 0.000 1.687 301 M HN 0.385 nan 8.290 nan 0.000 0.449 302 L N 3.017 124.219 121.223 -0.034 0.000 2.505 302 L HA 0.684 5.024 4.340 0.000 0.000 0.259 302 L C -2.124 174.751 176.870 0.008 0.000 0.952 302 L CA -0.307 54.452 54.840 -0.135 0.000 0.840 302 L CB 2.182 43.944 42.059 -0.494 0.000 1.358 302 L HN 0.714 nan 8.230 nan 0.000 0.409 303 L N 3.512 124.706 121.223 -0.049 0.000 2.322 303 L HA 0.950 5.290 4.340 0.000 0.000 0.279 303 L C 0.414 177.288 176.870 0.007 0.000 1.036 303 L CA -0.417 54.405 54.840 -0.030 0.000 0.807 303 L CB 1.638 43.531 42.059 -0.278 0.000 1.226 303 L HN 0.804 nan 8.230 nan 0.000 0.433 304 G N 0.701 109.605 108.800 0.173 0.000 2.696 304 G HA2 0.401 4.361 3.960 0.000 0.000 0.295 304 G HA3 0.401 4.361 3.960 0.000 0.000 0.295 304 G C -0.239 174.828 174.900 0.279 0.000 1.398 304 G CA -0.318 44.912 45.100 0.217 0.000 0.920 304 G HN 0.696 nan 8.290 nan 0.000 0.492 305 E N 0.031 120.379 120.200 0.247 0.000 2.230 305 E HA 0.179 4.529 4.350 0.000 0.000 0.192 305 E C 1.413 178.106 176.600 0.156 0.000 0.987 305 E CA 0.975 57.524 56.400 0.248 0.000 0.841 305 E CB 0.199 30.021 29.700 0.203 0.000 0.783 305 E HN 0.553 nan 8.360 nan 0.000 0.481 306 K N 1.697 122.191 120.400 0.157 0.000 2.267 306 K HA 0.304 4.624 4.320 0.000 0.000 0.246 306 K C -0.835 175.874 176.600 0.182 0.000 0.954 306 K CA -0.663 55.699 56.287 0.125 0.000 0.824 306 K CB 1.277 nan 32.500 nan 0.000 1.167 306 K HN -0.012 nan 8.250 nan 0.000 0.431 307 E N 1.872 122.150 120.200 0.130 0.000 2.259 307 E HA 0.169 4.519 4.350 0.000 0.000 0.281 307 E C -0.805 175.907 176.600 0.188 0.000 1.037 307 E CA -0.275 56.219 56.400 0.157 0.000 0.854 307 E CB 0.647 30.385 29.700 0.063 0.000 1.051 307 E HN 0.491 nan 8.360 nan 0.000 0.409 308 Q N 2.693 122.675 119.800 0.304 0.000 2.423 308 Q HA 0.261 4.601 4.340 0.000 0.000 0.278 308 Q C -1.035 175.098 176.000 0.222 0.000 1.097 308 Q CA -0.738 55.184 55.803 0.198 0.000 0.809 308 Q CB 2.043 30.866 28.738 0.143 0.000 1.391 308 Q HN 0.591 nan 8.270 nan 0.000 0.428 309 E N 1.214 121.486 120.200 0.121 0.000 2.259 309 E HA 0.338 4.688 4.350 0.000 0.000 0.281 309 E C -0.678 175.974 176.600 0.087 0.000 1.037 309 E CA -0.279 56.182 56.400 0.101 0.000 0.854 309 E CB 1.320 31.047 29.700 0.045 0.000 1.051 309 E HN 0.149 nan 8.360 nan 0.000 0.409 310 V N 3.107 123.082 119.914 0.102 0.000 2.495 310 V HA 0.096 4.216 4.120 0.000 0.000 0.298 310 V C 0.213 176.286 176.094 -0.036 0.000 1.031 310 V CA -0.844 61.449 62.300 -0.012 0.000 0.871 310 V CB 1.636 33.399 31.823 -0.101 0.000 0.988 310 V HN 0.697 nan 8.190 nan 0.000 0.432 311 E N 3.303 123.463 120.200 -0.067 0.000 2.480 311 E HA 0.266 4.616 4.350 0.000 0.000 0.258 311 E C 1.168 177.742 176.600 -0.042 0.000 0.984 311 E CA 0.883 57.261 56.400 -0.036 0.000 0.930 311 E CB 0.319 30.004 29.700 -0.025 0.000 0.936 311 E HN 1.142 nan 8.360 nan 0.000 0.466 312 G N 4.578 113.385 108.800 0.012 0.000 2.225 312 G HA2 -0.317 3.643 3.960 0.000 0.000 0.267 312 G HA3 -0.317 3.643 3.960 0.000 0.000 0.267 312 G C 0.305 175.247 174.900 0.070 0.000 1.024 312 G CA 0.770 45.894 45.100 0.040 0.000 0.784 312 G HN 0.627 nan 8.290 nan 0.000 0.507 313 M N -1.862 117.794 119.600 0.094 0.000 2.227 313 M HA 0.581 5.061 4.480 0.000 0.000 0.316 313 M C 1.566 178.048 176.300 0.304 0.000 1.144 313 M CA -0.186 55.229 55.300 0.192 0.000 1.121 313 M CB 0.851 33.612 32.600 0.268 0.000 1.440 313 M HN -0.003 nan 8.290 nan 0.000 0.473 314 C N 0.476 120.015 119.300 0.398 0.000 2.485 314 C HA 0.490 4.950 4.460 0.000 0.000 0.278 314 C C 1.213 176.574 174.990 0.618 0.000 1.356 314 C CA 0.534 59.879 59.018 0.546 0.000 1.747 314 C CB -0.756 27.311 27.740 0.544 0.000 2.001 314 C HN 1.018 nan 8.230 nan 0.000 0.501 315 G N -1.293 107.779 108.800 0.454 0.000 2.355 315 G HA2 0.437 4.398 3.960 0.000 0.000 0.296 315 G HA3 0.437 4.398 3.960 0.000 0.000 0.296 315 G C -2.082 172.913 174.900 0.159 0.000 1.507 315 G CA 0.083 45.304 45.100 0.202 0.000 0.823 315 G HN 0.264 nan 8.290 nan 0.000 0.569 316 V N 0.019 119.803 119.914 -0.217 0.000 2.668 316 V HA 0.843 4.963 4.120 0.000 0.000 0.304 316 V C -1.080 174.731 176.094 -0.472 0.000 1.071 316 V CA -0.260 61.819 62.300 -0.368 0.000 0.894 316 V CB 1.502 33.014 31.823 -0.518 0.000 1.008 316 V HN 2.129 nan 8.190 nan 0.000 0.425 317 V N 4.889 124.503 119.914 -0.500 0.000 2.777 317 V HA 0.614 4.734 4.120 0.000 0.000 0.306 317 V C -0.512 175.398 176.094 -0.307 0.000 1.112 317 V CA -0.432 61.589 62.300 -0.465 0.000 0.917 317 V CB 1.899 33.348 31.823 -0.623 0.000 1.018 317 V HN 1.103 nan 8.190 nan 0.000 0.426 318 E N 3.936 123.955 120.200 -0.302 0.000 2.415 318 E HA 0.194 4.544 4.350 0.000 0.000 0.263 318 E C 0.189 176.753 176.600 -0.060 0.000 0.995 318 E CA 0.955 57.243 56.400 -0.186 0.000 0.915 318 E CB 0.427 29.970 29.700 -0.262 0.000 0.951 318 E HN 0.922 nan 8.360 nan 0.000 0.449 319 D N 2.100 122.505 120.400 0.009 0.000 3.046 319 D HA -0.200 4.440 4.640 0.000 0.000 0.210 319 D C 0.947 177.285 176.300 0.063 0.000 1.124 319 D CA 1.196 55.231 54.000 0.059 0.000 0.986 319 D CB -1.393 39.443 40.800 0.060 0.000 1.118 319 D HN 0.651 nan 8.370 nan 0.000 0.416 320 G N -0.527 108.296 108.800 0.039 0.000 2.470 320 G HA2 0.031 3.991 3.960 0.000 0.000 0.220 320 G HA3 0.031 3.991 3.960 0.000 0.000 0.220 320 G C 1.446 176.456 174.900 0.185 0.000 1.121 320 G CA 1.078 46.218 45.100 0.068 0.000 0.766 320 G HN 0.489 nan 8.290 nan 0.000 0.553 321 I N -1.401 119.286 120.570 0.196 0.000 4.046 321 I HA 0.365 4.536 4.170 0.000 0.000 0.285 321 I C -0.113 176.170 176.117 0.277 0.000 1.183 321 I CA 0.130 61.569 61.300 0.231 0.000 1.337 321 I CB 0.820 38.975 38.000 0.258 0.000 1.478 321 I HN -0.126 nan 8.210 nan 0.000 0.452 322 I N 2.134 122.862 120.570 0.264 0.000 2.500 322 I HA 0.311 4.481 4.170 0.000 0.000 0.286 322 I C -2.575 173.714 176.117 0.287 0.000 1.063 322 I CA -1.887 59.601 61.300 0.314 0.000 1.062 322 I CB 2.134 40.289 38.000 0.259 0.000 1.223 322 I HN -0.243 nan 8.210 nan 0.000 0.435 323 P HA 0.037 nan 4.420 nan 0.000 0.261 323 P C 0.847 178.181 177.300 0.058 0.000 1.173 323 P CA 0.969 64.149 63.100 0.133 0.000 0.760 323 P CB 0.507 32.286 31.700 0.131 0.000 0.783 324 G N 1.100 109.871 108.800 -0.047 0.000 2.259 324 G HA2 -0.191 3.770 3.960 0.000 0.000 0.217 324 G HA3 -0.191 3.770 3.960 0.000 0.000 0.217 324 G C -0.364 174.285 174.900 -0.418 0.000 1.001 324 G CA -0.429 44.495 45.100 -0.293 0.000 0.627 324 G HN 0.476 nan 8.290 nan 0.000 0.501 325 Y N -0.254 120.055 120.300 0.016 0.000 2.698 325 Y HA 0.788 5.338 4.550 -0.000 0.000 0.332 325 Y C 0.262 176.150 175.900 -0.020 0.000 1.119 325 Y CA -1.510 56.596 58.100 0.010 0.000 1.109 325 Y CB 0.698 39.180 38.460 0.036 0.000 1.308 325 Y HN -0.004 nan 8.280 nan 0.000 0.499 326 L N 1.679 123.004 121.223 0.169 0.000 2.305 326 L HA 0.478 4.818 4.340 0.000 0.000 0.281 326 L C 0.432 177.287 176.870 -0.025 0.000 1.085 326 L CA 0.020 54.834 54.840 -0.042 0.000 0.813 326 L CB 0.426 42.401 42.059 -0.139 0.000 1.157 326 L HN 0.854 nan 8.230 nan 0.000 0.436 327 G N 3.470 112.226 108.800 -0.072 0.000 2.370 327 G HA2 0.461 4.421 3.960 0.000 0.000 0.317 327 G HA3 0.461 4.421 3.960 0.000 0.000 0.317 327 G C -1.198 173.738 174.900 0.060 0.000 1.162 327 G CA -0.213 44.945 45.100 0.096 0.000 0.922 327 G HN 0.405 nan 8.290 nan 0.000 0.454 328 Y N 0.670 121.070 120.300 0.166 0.000 2.361 328 Y HA 0.501 5.051 4.550 -0.000 0.000 0.332 328 Y C 0.620 176.687 175.900 0.280 0.000 1.101 328 Y CA -0.541 57.693 58.100 0.223 0.000 1.137 328 Y CB 2.166 40.654 38.460 0.046 0.000 1.207 328 Y HN 0.471 nan 8.280 nan 0.000 0.463 329 E N 1.840 122.376 120.200 0.560 0.000 2.256 329 E HA 0.782 5.132 4.350 0.000 0.000 0.268 329 E C -1.682 175.211 176.600 0.488 0.000 0.877 329 E CA -0.770 55.880 56.400 0.416 0.000 0.757 329 E CB 1.526 31.376 29.700 0.250 0.000 1.183 329 E HN 0.761 nan 8.360 nan 0.000 0.418 330 A N 2.445 125.543 122.820 0.462 0.000 2.515 330 A HA 0.893 5.213 4.320 0.000 0.000 0.296 330 A C -0.702 177.114 177.584 0.387 0.000 1.094 330 A CA -0.260 52.023 52.037 0.410 0.000 0.718 330 A CB 2.013 21.251 19.000 0.396 0.000 1.307 330 A HN 0.554 nan 8.150 nan 0.000 0.408 331 G N -0.364 108.633 108.800 0.329 0.000 2.638 331 G HA2 0.557 4.517 3.960 0.000 0.000 0.302 331 G HA3 0.557 4.517 3.960 0.000 0.000 0.302 331 G C -1.319 173.758 174.900 0.296 0.000 1.365 331 G CA -0.333 44.953 45.100 0.309 0.000 0.987 331 G HN 0.720 nan 8.290 nan 0.000 0.495 332 Q N 1.308 121.295 119.800 0.311 0.000 2.372 332 Q HA 0.356 4.696 4.340 0.000 0.000 0.259 332 Q C 1.251 177.369 176.000 0.197 0.000 0.993 332 Q CA -0.493 55.482 55.803 0.287 0.000 0.854 332 Q CB 1.531 30.496 28.738 0.378 0.000 1.231 332 Q HN 0.588 nan 8.270 nan 0.000 0.462 333 S N 2.765 118.571 115.700 0.177 0.000 2.372 333 S HA -0.132 4.338 4.470 0.000 0.000 0.227 333 S C 0.230 174.906 174.600 0.128 0.000 1.044 333 S CA 1.588 59.873 58.200 0.142 0.000 1.050 333 S CB 0.099 63.371 63.200 0.120 0.000 0.901 333 S HN 0.688 nan 8.310 nan 0.000 0.447 334 A N -0.585 122.313 122.820 0.130 0.000 2.429 334 A HA 0.674 4.994 4.320 0.000 0.000 0.289 334 A C -0.020 177.542 177.584 -0.036 0.000 1.043 334 A CA -0.167 51.906 52.037 0.060 0.000 0.722 334 A CB 1.686 20.743 19.000 0.095 0.000 1.243 334 A HN 0.474 nan 8.150 nan 0.000 0.415 335 V N 2.722 122.531 119.914 -0.175 0.000 3.442 335 V HA 0.357 4.477 4.120 0.000 0.000 0.205 335 V C 1.692 177.210 176.094 -0.960 0.000 1.320 335 V CA 1.930 63.974 62.300 -0.427 0.000 1.306 335 V CB -0.073 31.655 31.823 -0.159 0.000 1.267 335 V HN 1.180 nan 8.190 nan 0.000 0.538 336 G N -0.262 108.228 108.800 -0.517 0.000 2.422 336 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 336 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 336 G C 1.107 175.863 174.900 -0.239 0.000 1.140 336 G CA 1.107 45.978 45.100 -0.381 0.000 0.775 336 G HN 0.564 nan 8.290 nan 0.000 0.545 337 D N 0.663 120.970 120.400 -0.154 0.000 2.178 337 D HA -0.062 4.578 4.640 0.000 0.000 0.201 337 D C 2.543 178.870 176.300 0.045 0.000 0.980 337 D CA 0.438 54.447 54.000 0.014 0.000 0.842 337 D CB -0.043 40.798 40.800 0.069 0.000 0.948 337 D HN 0.384 nan 8.370 nan 0.000 0.472 338 I N 0.452 120.909 120.570 -0.189 0.000 2.202 338 I HA -0.252 3.918 4.170 0.000 0.000 0.242 338 I C 2.098 178.320 176.117 0.173 0.000 1.091 338 I CA 0.747 61.922 61.300 -0.209 0.000 1.368 338 I CB -0.324 37.353 38.000 -0.539 0.000 1.058 338 I HN -0.106 nan 8.210 nan 0.000 0.410 339 F N 1.447 121.484 119.950 0.145 0.000 2.126 339 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 339 F C 2.697 178.753 175.800 0.426 0.000 1.096 339 F CA 0.827 59.011 58.000 0.307 0.000 1.255 339 F CB -1.732 37.473 39.000 0.341 0.000 0.997 339 F HN 0.021 nan 8.300 nan 0.000 0.479 340 A N -0.532 122.592 122.820 0.506 0.000 1.902 340 A HA -0.224 4.096 4.320 0.000 0.000 0.217 340 A C 2.126 179.905 177.584 0.325 0.000 1.181 340 A CA 1.333 53.615 52.037 0.408 0.000 0.623 340 A CB -1.656 17.510 19.000 0.277 0.000 0.818 340 A HN 0.584 nan 8.150 nan 0.000 0.443 341 W N -0.348 121.094 121.300 0.236 0.000 2.363 341 W HA -0.186 4.474 4.660 0.000 0.000 0.296 341 W C 1.688 178.402 176.519 0.325 0.000 1.212 341 W CA 1.738 59.252 57.345 0.281 0.000 1.260 341 W CB -0.397 29.233 29.460 0.284 0.000 1.131 341 W HN 0.329 nan 8.180 nan 0.000 0.530 342 F N 0.496 120.474 119.950 0.047 0.000 2.146 342 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 342 F C 2.117 177.788 175.800 -0.216 0.000 1.096 342 F CA 2.171 60.052 58.000 -0.199 0.000 1.275 342 F CB -0.967 38.163 39.000 0.217 0.000 1.008 342 F HN -0.231 nan 8.300 nan 0.000 0.480 343 V N 1.528 121.357 119.914 -0.142 0.000 2.490 343 V HA -0.301 3.819 4.120 0.000 0.000 0.250 343 V C 2.319 178.303 176.094 -0.183 0.000 1.061 343 V CA 2.374 64.533 62.300 -0.234 0.000 1.064 343 V CB -0.892 30.838 31.823 -0.154 0.000 0.670 343 V HN 0.499 nan 8.190 nan 0.000 0.461 344 K N -1.805 118.427 120.400 -0.280 0.000 2.308 344 K HA 0.000 4.320 4.320 0.000 0.000 0.197 344 K C 1.726 177.967 176.600 -0.599 0.000 1.049 344 K CA 0.833 56.881 56.287 -0.398 0.000 0.991 344 K CB -0.025 32.213 32.500 -0.436 0.000 0.836 344 K HN 0.444 nan 8.250 nan 0.000 0.500 345 H N -0.731 118.028 119.070 -0.518 0.000 2.874 345 H HA 0.257 4.813 4.556 0.000 0.000 0.264 345 H C 1.242 176.249 175.328 -0.536 0.000 1.007 345 H CA 0.857 56.597 56.048 -0.514 0.000 1.207 345 H CB 1.619 31.043 29.762 -0.563 0.000 1.487 345 H HN 0.461 nan 8.280 nan 0.000 0.505 346 G N 0.372 108.788 108.800 -0.640 0.000 3.146 346 G HA2 0.119 4.079 3.960 0.000 0.000 0.238 346 G HA3 0.119 4.079 3.960 0.000 0.000 0.238 346 G C -0.193 174.333 174.900 -0.624 0.000 1.022 346 G CA 0.122 44.936 45.100 -0.476 0.000 0.880 346 G HN 0.098 nan 8.290 nan 0.000 0.533 347 V N 3.154 122.589 119.914 -0.799 0.000 2.385 347 V HA 0.523 4.643 4.120 0.000 0.000 0.269 347 V C 0.774 176.762 176.094 -0.177 0.000 1.043 347 V CA -0.520 61.431 62.300 -0.582 0.000 0.906 347 V CB 0.843 32.318 31.823 -0.580 0.000 0.995 347 V HN 0.433 nan 8.190 nan 0.000 0.467 348 S N 6.015 121.669 115.700 -0.076 0.000 2.559 348 S HA 0.229 4.699 4.470 0.000 0.000 0.282 348 S C 1.509 176.124 174.600 0.025 0.000 1.336 348 S CA 0.243 58.433 58.200 -0.017 0.000 1.037 348 S CB 1.253 64.464 63.200 0.019 0.000 0.853 348 S HN 1.546 nan 8.310 nan 0.000 0.523 349 A N 3.429 126.248 122.820 -0.001 0.000 1.917 349 A HA 0.040 4.360 4.320 0.000 0.000 0.219 349 A C 2.521 180.144 177.584 0.064 0.000 1.182 349 A CA 2.161 54.205 52.037 0.012 0.000 0.633 349 A CB -1.791 17.190 19.000 -0.032 0.000 0.819 349 A HN 1.572 nan 8.150 nan 0.000 0.448 350 A N -1.041 121.801 122.820 0.038 0.000 1.948 350 A HA -0.165 4.155 4.320 0.000 0.000 0.220 350 A C 2.292 179.899 177.584 0.038 0.000 1.177 350 A CA 2.524 54.582 52.037 0.034 0.000 0.636 350 A CB -1.311 17.704 19.000 0.025 0.000 0.815 350 A HN 0.483 nan 8.150 nan 0.000 0.449 351 T N -1.319 113.260 114.554 0.041 0.000 2.812 351 T HA -0.043 4.307 4.350 0.000 0.000 0.264 351 T C 1.553 176.244 174.700 -0.014 0.000 1.042 351 T CA 1.313 63.412 62.100 -0.000 0.000 1.140 351 T CB -0.362 68.492 68.868 -0.024 0.000 0.870 351 T HN 0.390 nan 8.240 nan 0.000 0.445 352 F N 1.991 121.886 119.950 -0.092 0.000 2.171 352 F HA -0.089 4.438 4.527 0.000 0.000 0.300 352 F C 2.231 177.993 175.800 -0.063 0.000 1.090 352 F CA 1.075 59.021 58.000 -0.089 0.000 1.293 352 F CB -0.263 38.680 39.000 -0.094 0.000 1.013 352 F HN 0.082 nan 8.300 nan 0.000 0.486 353 D N -0.063 120.419 120.400 0.136 0.000 2.084 353 D HA -0.196 4.444 4.640 0.000 0.000 0.194 353 D C 2.208 178.520 176.300 0.020 0.000 0.990 353 D CA 1.252 55.292 54.000 0.067 0.000 0.826 353 D CB -0.510 40.316 40.800 0.044 0.000 0.971 353 D HN 0.347 nan 8.370 nan 0.000 0.453 354 E N 0.368 120.568 120.200 0.000 0.000 2.049 354 E HA -0.225 4.125 4.350 0.000 0.000 0.198 354 E C 2.026 178.599 176.600 -0.045 0.000 1.007 354 E CA 1.212 57.599 56.400 -0.022 0.000 0.809 354 E CB -0.040 29.642 29.700 -0.030 0.000 0.749 354 E HN 0.174 nan 8.360 nan 0.000 0.450 355 A N 0.840 123.610 122.820 -0.083 0.000 1.908 355 A HA -0.280 4.040 4.320 0.000 0.000 0.218 355 A C 2.078 179.618 177.584 -0.074 0.000 1.181 355 A CA 1.859 53.828 52.037 -0.114 0.000 0.627 355 A CB -0.611 18.258 19.000 -0.217 0.000 0.818 355 A HN 0.352 nan 8.150 nan 0.000 0.445 356 Q N -0.695 119.080 119.800 -0.042 0.000 2.050 356 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 356 Q C 2.017 178.011 176.000 -0.011 0.000 0.980 356 Q CA 1.866 57.663 55.803 -0.010 0.000 0.840 356 Q CB -0.156 28.601 28.738 0.031 0.000 0.898 356 Q HN 0.769 nan 8.270 nan 0.000 0.424 357 E N -0.359 119.836 120.200 -0.009 0.000 2.160 357 E HA -0.196 4.154 4.350 0.000 0.000 0.195 357 E C 1.860 178.450 176.600 -0.016 0.000 0.991 357 E CA 1.713 58.108 56.400 -0.009 0.000 0.810 357 E CB 0.015 29.711 29.700 -0.006 0.000 0.742 357 E HN 0.308 nan 8.360 nan 0.000 0.466 358 K N 0.019 120.403 120.400 -0.025 0.000 2.444 358 K HA 0.143 4.463 4.320 0.000 0.000 0.193 358 K C 1.212 177.794 176.600 -0.030 0.000 1.024 358 K CA 0.722 56.992 56.287 -0.029 0.000 1.077 358 K CB -0.670 nan 32.500 nan 0.000 0.833 358 K HN 0.306 nan 8.250 nan 0.000 0.517 359 G N -0.122 108.661 108.800 -0.029 0.000 2.305 359 G HA2 -0.133 3.827 3.960 0.000 0.000 0.287 359 G HA3 -0.133 3.827 3.960 0.000 0.000 0.287 359 G C 0.104 174.983 174.900 -0.036 0.000 1.036 359 G CA 0.553 45.637 45.100 -0.027 0.000 0.887 359 G HN 0.914 nan 8.290 nan 0.000 0.505 360 V N -0.653 119.230 119.914 -0.052 0.000 3.040 360 V HA 0.676 4.796 4.120 0.000 0.000 0.312 360 V C 0.387 176.428 176.094 -0.088 0.000 1.115 360 V CA -0.971 61.292 62.300 -0.062 0.000 0.998 360 V CB 2.076 33.860 31.823 -0.065 0.000 1.042 360 V HN 0.486 nan 8.190 nan 0.000 0.433 361 N N 2.074 120.724 118.700 -0.083 0.000 2.518 361 N HA 0.097 4.837 4.740 0.000 0.000 0.266 361 N C 0.745 176.153 175.510 -0.171 0.000 1.196 361 N CA 0.709 53.697 53.050 -0.103 0.000 0.947 361 N CB 1.655 40.113 38.487 -0.049 0.000 1.098 361 N HN 0.456 nan 8.380 nan 0.000 0.450 362 V N 3.901 123.635 119.914 -0.300 0.000 2.469 362 V HA -0.240 3.880 4.120 0.000 0.000 0.251 362 V C 1.751 177.622 176.094 -0.371 0.000 1.064 362 V CA 1.894 63.916 62.300 -0.463 0.000 1.066 362 V CB -0.963 30.307 31.823 -0.922 0.000 0.667 362 V HN 0.772 nan 8.190 nan 0.000 0.461 363 H N -0.495 118.424 119.070 -0.251 0.000 2.428 363 H HA 0.032 4.588 4.556 0.000 0.000 0.296 363 H C 2.254 177.452 175.328 -0.217 0.000 1.062 363 H CA 1.493 57.417 56.048 -0.205 0.000 1.350 363 H CB 0.020 29.737 29.762 -0.076 0.000 1.403 363 H HN 0.573 nan 8.280 nan 0.000 0.533 364 A N 0.891 123.676 122.820 -0.058 0.000 1.872 364 A HA -0.093 4.227 4.320 0.000 0.000 0.214 364 A C 2.439 179.951 177.584 -0.122 0.000 1.187 364 A CA 0.866 52.858 52.037 -0.075 0.000 0.614 364 A CB -0.677 18.286 19.000 -0.062 0.000 0.826 364 A HN 0.286 nan 8.150 nan 0.000 0.442 365 L N -0.633 120.497 121.223 -0.155 0.000 1.989 365 L HA -0.144 4.196 4.340 0.000 0.000 0.211 365 L C 2.195 178.952 176.870 -0.189 0.000 1.071 365 L CA 1.784 56.533 54.840 -0.152 0.000 0.749 365 L CB -0.699 41.260 42.059 -0.166 0.000 0.890 365 L HN 0.265 nan 8.230 nan 0.000 0.431 366 L N -0.037 121.000 121.223 -0.311 0.000 2.013 366 L HA -0.255 4.085 4.340 0.000 0.000 0.212 366 L C 2.653 179.275 176.870 -0.413 0.000 1.073 366 L CA 2.059 56.619 54.840 -0.466 0.000 0.753 366 L CB -1.014 40.520 42.059 -0.874 0.000 0.890 366 L HN 0.523 nan 8.230 nan 0.000 0.432 367 E N -1.005 118.999 120.200 -0.328 0.000 2.072 367 E HA -0.245 4.105 4.350 0.000 0.000 0.191 367 E C 1.936 178.534 176.600 -0.002 0.000 0.985 367 E CA 1.041 57.418 56.400 -0.040 0.000 0.801 367 E CB 0.191 29.902 29.700 0.019 0.000 0.750 367 E HN 0.382 nan 8.360 nan 0.000 0.452 368 E N 0.633 120.808 120.200 -0.042 0.000 2.106 368 E HA -0.125 4.225 4.350 0.000 0.000 0.192 368 E C 1.812 178.407 176.600 -0.008 0.000 0.984 368 E CA 1.124 57.514 56.400 -0.017 0.000 0.806 368 E CB 0.090 29.771 29.700 -0.031 0.000 0.750 368 E HN 0.182 nan 8.360 nan 0.000 0.458 369 K N -0.171 120.214 120.400 -0.025 0.000 2.062 369 K HA 0.050 4.370 4.320 0.000 0.000 0.205 369 K C 2.085 178.697 176.600 0.021 0.000 1.051 369 K CA 1.018 57.301 56.287 -0.007 0.000 0.941 369 K CB -0.079 32.410 32.500 -0.020 0.000 0.719 369 K HN 0.070 nan 8.250 nan 0.000 0.440 370 A N 0.981 123.828 122.820 0.044 0.000 2.019 370 A HA -0.124 4.196 4.320 0.000 0.000 0.219 370 A C 2.161 179.777 177.584 0.054 0.000 1.164 370 A CA 1.542 53.630 52.037 0.086 0.000 0.644 370 A CB -0.445 18.684 19.000 0.216 0.000 0.805 370 A HN 0.147 nan 8.150 nan 0.000 0.449 371 S N -0.442 115.287 115.700 0.049 0.000 2.402 371 S HA -0.109 4.361 4.470 0.000 0.000 0.229 371 S C 1.901 176.524 174.600 0.037 0.000 1.021 371 S CA 1.058 59.285 58.200 0.047 0.000 0.974 371 S CB -0.205 63.025 63.200 0.050 0.000 0.800 371 S HN 0.598 nan 8.310 nan 0.000 0.484 372 Q N 0.509 120.326 119.800 0.028 0.000 2.488 372 Q HA 0.159 4.499 4.340 0.000 0.000 0.211 372 Q C 0.138 176.147 176.000 0.016 0.000 0.967 372 Q CA 0.321 56.138 55.803 0.023 0.000 0.926 372 Q CB -0.339 28.410 28.738 0.018 0.000 0.992 372 Q HN 0.502 nan 8.270 nan 0.000 0.506 373 L N 1.283 122.511 121.223 0.010 0.000 2.312 373 L HA 0.282 4.622 4.340 0.000 0.000 0.281 373 L C 0.630 177.475 176.870 -0.042 0.000 1.070 373 L CA -0.427 54.407 54.840 -0.009 0.000 0.805 373 L CB 1.020 43.075 42.059 -0.006 0.000 1.174 373 L HN -0.137 nan 8.230 nan 0.000 0.434 374 R N 2.653 123.117 120.500 -0.059 0.000 2.560 374 R HA 0.302 4.642 4.340 0.000 0.000 0.270 374 R C -2.304 173.871 176.300 -0.208 0.000 1.074 374 R CA -1.660 54.367 56.100 -0.122 0.000 1.140 374 R CB 0.468 30.728 30.300 -0.066 0.000 1.073 374 R HN 0.296 nan 8.270 nan 0.000 0.527 375 P HA -0.004 nan 4.420 nan 0.000 0.267 375 P C 0.312 177.412 177.300 -0.333 0.000 1.205 375 P CA 0.916 63.694 63.100 -0.538 0.000 0.765 375 P CB 0.698 31.755 31.700 -1.071 0.000 0.828 376 G N 2.787 111.460 108.800 -0.211 0.000 2.179 376 G HA2 -0.325 3.635 3.960 0.000 0.000 0.260 376 G HA3 -0.325 3.635 3.960 0.000 0.000 0.260 376 G C 1.045 175.907 174.900 -0.064 0.000 0.977 376 G CA 0.451 45.488 45.100 -0.105 0.000 0.641 376 G HN 0.567 nan 8.290 nan 0.000 0.533 377 E N 0.959 121.118 120.200 -0.069 0.000 2.216 377 E HA -0.011 4.339 4.350 0.000 0.000 0.192 377 E C 2.592 179.182 176.600 -0.017 0.000 0.988 377 E CA 1.601 57.978 56.400 -0.038 0.000 0.834 377 E CB -0.163 29.515 29.700 -0.037 0.000 0.772 377 E HN 0.747 nan 8.360 nan 0.000 0.479 378 S N -0.673 115.017 115.700 -0.016 0.000 2.402 378 S HA 0.008 4.478 4.470 0.000 0.000 0.229 378 S C 1.839 176.437 174.600 -0.003 0.000 1.021 378 S CA 0.881 59.079 58.200 -0.004 0.000 0.974 378 S CB -0.296 62.900 63.200 -0.008 0.000 0.800 378 S HN 0.512 nan 8.310 nan 0.000 0.484 379 G N 0.399 109.196 108.800 -0.005 0.000 2.162 379 G HA2 -0.180 3.780 3.960 0.000 0.000 0.260 379 G HA3 -0.180 3.780 3.960 0.000 0.000 0.260 379 G C -0.226 174.665 174.900 -0.015 0.000 0.976 379 G CA 0.422 45.520 45.100 -0.003 0.000 0.655 379 G HN 0.486 nan 8.290 nan 0.000 0.533 380 L N -0.599 120.612 121.223 -0.020 0.000 2.334 380 L HA 0.992 5.332 4.340 0.000 0.000 0.270 380 L C -0.001 176.879 176.870 0.016 0.000 1.018 380 L CA -1.501 53.310 54.840 -0.048 0.000 0.811 380 L CB 1.648 43.649 42.059 -0.097 0.000 1.271 380 L HN 0.307 nan 8.230 nan 0.000 0.443 381 L N 1.354 122.586 121.223 0.015 0.000 2.493 381 L HA 0.883 5.223 4.340 0.000 0.000 0.265 381 L C -1.208 175.715 176.870 0.088 0.000 0.954 381 L CA -0.139 54.761 54.840 0.100 0.000 0.844 381 L CB 1.718 43.822 42.059 0.075 0.000 1.302 381 L HN 0.710 nan 8.230 nan 0.000 0.405 382 A N 3.812 126.737 122.820 0.174 0.000 2.479 382 A HA 0.886 5.206 4.320 0.000 0.000 0.296 382 A C -2.025 175.664 177.584 0.176 0.000 1.121 382 A CA -0.554 51.580 52.037 0.162 0.000 0.743 382 A CB 1.580 20.707 19.000 0.212 0.000 1.323 382 A HN 0.566 nan 8.150 nan 0.000 0.415 383 L N 2.098 123.331 121.223 0.017 0.000 2.298 383 L HA 0.336 4.676 4.340 0.000 0.000 0.284 383 L C -0.137 176.715 176.870 -0.030 0.000 1.013 383 L CA -0.355 54.293 54.840 -0.320 0.000 0.824 383 L CB 1.497 43.066 42.059 -0.817 0.000 1.221 383 L HN 0.747 nan 8.230 nan 0.000 0.418 384 D N 2.021 122.482 120.400 0.100 0.000 2.982 384 D HA -0.099 4.541 4.640 0.000 0.000 0.238 384 D C -0.051 176.586 176.300 0.562 0.000 1.168 384 D CA -0.137 54.071 54.000 0.347 0.000 0.947 384 D CB -0.131 40.843 40.800 0.290 0.000 1.147 384 D HN 0.374 nan 8.370 nan 0.000 0.450 385 W N -0.146 121.354 121.300 0.333 0.000 3.015 385 W HA 0.269 4.929 4.660 -0.000 0.000 0.429 385 W C 1.168 177.769 176.519 0.138 0.000 0.976 385 W CA -1.681 55.764 57.345 0.167 0.000 2.086 385 W CB -1.298 28.177 29.460 0.026 0.000 1.125 385 W HN 0.272 nan 8.180 nan 0.000 0.721 386 W N 0.927 122.285 121.300 0.096 0.000 2.313 386 W HA -0.265 4.395 4.660 0.000 0.000 0.293 386 W C 0.840 177.341 176.519 -0.030 0.000 1.216 386 W CA 1.216 58.528 57.345 -0.055 0.000 1.223 386 W CB -0.265 29.110 29.460 -0.142 0.000 1.138 386 W HN -0.001 nan 8.180 nan 0.000 0.535 387 N N -0.991 117.861 118.700 0.252 0.000 2.553 387 N HA 0.295 5.035 4.740 0.000 0.000 0.298 387 N C 0.076 175.632 175.510 0.077 0.000 1.596 387 N CA 0.890 54.020 53.050 0.133 0.000 0.910 387 N CB 0.189 38.760 38.487 0.141 0.000 1.336 387 N HN 0.087 nan 8.380 nan 0.000 0.497 388 G N 1.024 109.853 108.800 0.048 0.000 2.642 388 G HA2 -0.236 3.724 3.960 0.000 0.000 0.231 388 G HA3 -0.236 3.724 3.960 0.000 0.000 0.231 388 G C -1.023 173.799 174.900 -0.130 0.000 1.338 388 G CA -0.434 44.620 45.100 -0.077 0.000 0.883 388 G HN 0.546 nan 8.290 nan 0.000 0.570 389 N N -0.290 118.267 118.700 -0.238 0.000 2.425 389 N HA 0.469 5.209 4.740 0.000 0.000 0.289 389 N C 0.751 176.195 175.510 -0.110 0.000 1.074 389 N CA -0.676 52.238 53.050 -0.228 0.000 0.905 389 N CB 1.945 40.074 38.487 -0.598 0.000 1.586 389 N HN 0.606 nan 8.380 nan 0.000 0.490 390 R N 1.590 122.092 120.500 0.003 0.000 2.009 390 R HA 0.317 4.657 4.340 0.000 0.000 0.206 390 R C -0.085 176.251 176.300 0.060 0.000 1.356 390 R CA 0.484 56.605 56.100 0.035 0.000 1.088 390 R CB -0.753 29.603 30.300 0.094 0.000 0.959 390 R HN 0.546 nan 8.270 nan 0.000 0.469 391 S N 1.487 117.255 115.700 0.113 0.000 2.531 391 S HA 0.216 4.686 4.470 0.000 0.000 0.279 391 S C 1.131 175.785 174.600 0.091 0.000 1.305 391 S CA 0.643 58.907 58.200 0.106 0.000 1.058 391 S CB 0.325 63.603 63.200 0.129 0.000 0.899 391 S HN 0.452 nan 8.310 nan 0.000 0.493 392 I N 1.167 121.767 120.570 0.052 0.000 4.186 392 I HA -0.274 3.896 4.170 0.000 0.000 0.098 392 I C 0.319 176.470 176.117 0.057 0.000 0.491 392 I CA 1.194 62.525 61.300 0.051 0.000 1.215 392 I CB -0.973 37.078 38.000 0.085 0.000 1.077 392 I HN 0.543 nan 8.210 nan 0.000 0.178 393 L N 1.353 122.594 121.223 0.029 0.000 2.408 393 L HA 0.424 4.764 4.340 0.000 0.000 0.215 393 L C 1.417 178.225 176.870 -0.102 0.000 1.081 393 L CA 1.598 56.396 54.840 -0.071 0.000 0.840 393 L CB 0.320 42.240 42.059 -0.232 0.000 1.002 393 L HN 0.459 nan 8.230 nan 0.000 0.468 394 V N 0.683 120.550 119.914 -0.079 0.000 5.691 394 V HA -0.250 3.870 4.120 0.000 0.000 0.288 394 V C -0.284 175.741 176.094 -0.116 0.000 0.615 394 V CA 0.975 63.234 62.300 -0.068 0.000 0.619 394 V CB -1.996 29.815 31.823 -0.021 0.000 0.296 394 V HN 0.529 nan 8.190 nan 0.000 0.834 395 D N -0.284 120.006 120.400 -0.184 0.000 2.542 395 D HA 0.380 5.020 4.640 0.000 0.000 0.252 395 D C 0.856 177.031 176.300 -0.209 0.000 1.222 395 D CA 0.301 54.180 54.000 -0.202 0.000 0.895 395 D CB 2.264 42.907 40.800 -0.263 0.000 1.207 395 D HN 0.176 nan 8.370 nan 0.000 0.558 396 T N 1.896 116.359 114.554 -0.152 0.000 3.035 396 T HA -0.052 4.298 4.350 0.000 0.000 0.268 396 T C 0.627 175.249 174.700 -0.130 0.000 1.109 396 T CA 0.869 62.891 62.100 -0.131 0.000 1.119 396 T CB 0.163 68.965 68.868 -0.111 0.000 0.900 396 T HN 0.254 nan 8.240 nan 0.000 0.503 397 E N 1.489 121.605 120.200 -0.141 0.000 2.336 397 E HA 0.280 4.630 4.350 0.000 0.000 0.214 397 E C -0.333 176.180 176.600 -0.144 0.000 1.144 397 E CA -0.051 56.275 56.400 -0.124 0.000 1.294 397 E CB 0.020 29.659 29.700 -0.102 0.000 1.263 397 E HN 0.551 nan 8.360 nan 0.000 0.439 398 L N 0.581 121.690 121.223 -0.191 0.000 2.334 398 L HA 0.413 4.753 4.340 0.000 0.000 0.272 398 L C 0.544 177.377 176.870 -0.063 0.000 1.020 398 L CA -0.712 54.016 54.840 -0.187 0.000 0.812 398 L CB 1.644 43.379 42.059 -0.541 0.000 1.264 398 L HN -0.014 nan 8.230 nan 0.000 0.439 399 S N -0.142 115.569 115.700 0.018 0.000 2.671 399 S HA 0.769 5.239 4.470 0.000 0.000 0.299 399 S C -0.225 174.337 174.600 -0.063 0.000 1.116 399 S CA -0.686 57.472 58.200 -0.070 0.000 0.912 399 S CB 1.665 64.751 63.200 -0.190 0.000 1.130 399 S HN 0.708 nan 8.310 nan 0.000 0.501 400 G N 0.182 108.744 108.800 -0.396 0.000 2.503 400 G HA2 0.525 4.485 3.960 0.000 0.000 0.257 400 G HA3 0.525 4.485 3.960 0.000 0.000 0.257 400 G C -0.720 173.782 174.900 -0.663 0.000 1.214 400 G CA -0.702 44.019 45.100 -0.631 0.000 0.839 400 G HN 0.822 nan 8.290 nan 0.000 0.559 401 M N 1.499 120.845 119.600 -0.424 0.000 2.518 401 M HA 0.601 5.081 4.480 0.000 0.000 0.300 401 M C -2.154 174.122 176.300 -0.041 0.000 1.175 401 M CA -0.993 54.136 55.300 -0.285 0.000 0.890 401 M CB 2.266 34.655 32.600 -0.353 0.000 1.710 401 M HN 0.412 nan 8.290 nan 0.000 0.453 402 L N 5.609 126.851 121.223 0.032 0.000 2.406 402 L HA 0.639 4.979 4.340 0.000 0.000 0.272 402 L C -2.086 174.772 176.870 -0.021 0.000 0.980 402 L CA -0.455 54.425 54.840 0.068 0.000 0.831 402 L CB 1.824 44.005 42.059 0.203 0.000 1.253 402 L HN 0.906 nan 8.230 nan 0.000 0.406 403 L N 4.142 125.308 121.223 -0.094 0.000 2.408 403 L HA 0.815 5.155 4.340 0.000 0.000 0.268 403 L C 0.544 177.342 176.870 -0.120 0.000 0.986 403 L CA 0.334 55.139 54.840 -0.058 0.000 0.820 403 L CB 2.053 44.118 42.059 0.010 0.000 1.303 403 L HN 0.792 nan 8.230 nan 0.000 0.411 404 G N 1.673 110.435 108.800 -0.063 0.000 2.205 404 G HA2 -0.237 3.723 3.960 0.000 0.000 0.180 404 G HA3 -0.237 3.723 3.960 0.000 0.000 0.180 404 G C -0.379 174.520 174.900 -0.003 0.000 1.004 404 G CA -0.360 44.715 45.100 -0.041 0.000 0.670 404 G HN 0.497 nan 8.290 nan 0.000 0.496 405 Y N 2.191 122.530 120.300 0.064 0.000 2.811 405 Y HA 0.374 4.924 4.550 0.000 0.000 0.334 405 Y C 1.488 177.421 175.900 0.055 0.000 1.247 405 Y CA 1.357 59.498 58.100 0.068 0.000 1.526 405 Y CB 0.639 39.144 38.460 0.076 0.000 1.284 405 Y HN 0.404 nan 8.280 nan 0.000 0.586 406 T N -0.962 113.737 114.554 0.242 0.000 2.804 406 T HA 0.442 4.792 4.350 0.000 0.000 0.290 406 T C 0.402 175.181 174.700 0.132 0.000 1.099 406 T CA -1.008 61.179 62.100 0.145 0.000 1.011 406 T CB 0.769 69.695 68.868 0.098 0.000 1.291 406 T HN 0.526 nan 8.240 nan 0.000 0.523 407 L N 0.036 121.312 121.223 0.088 0.000 2.551 407 L HA 0.066 4.406 4.340 0.000 0.000 0.228 407 L C 1.873 178.788 176.870 0.075 0.000 1.153 407 L CA 0.853 55.736 54.840 0.072 0.000 0.851 407 L CB -0.412 41.678 42.059 0.051 0.000 0.959 407 L HN 0.648 nan 8.230 nan 0.000 0.451 408 Q N -1.343 118.507 119.800 0.083 0.000 2.219 408 Q HA 0.116 4.456 4.340 0.000 0.000 0.209 408 Q C 0.257 176.315 176.000 0.096 0.000 0.854 408 Q CA 0.009 55.858 55.803 0.077 0.000 0.960 408 Q CB 0.791 29.565 28.738 0.059 0.000 1.116 408 Q HN 0.113 nan 8.270 nan 0.000 0.500 409 T N 1.861 116.496 114.554 0.135 0.000 2.867 409 T HA 0.123 4.473 4.350 0.000 0.000 0.297 409 T C 0.006 174.803 174.700 0.162 0.000 0.989 409 T CA 0.381 62.579 62.100 0.165 0.000 1.159 409 T CB 0.350 69.386 68.868 0.279 0.000 0.928 409 T HN 0.053 nan 8.240 nan 0.000 0.538 410 K N 4.913 125.394 120.400 0.136 0.000 2.123 410 K HA 0.304 4.624 4.320 0.000 0.000 0.248 410 K C -1.434 175.273 176.600 0.179 0.000 0.969 410 K CA -2.332 54.035 56.287 0.134 0.000 0.882 410 K CB 1.084 33.640 32.500 0.094 0.000 1.080 410 K HN 0.200 nan 8.250 nan 0.000 0.441 411 P HA -0.276 nan 4.420 nan 0.000 0.216 411 P C 0.751 178.227 177.300 0.293 0.000 1.150 411 P CA 1.600 64.896 63.100 0.325 0.000 0.843 411 P CB 0.230 32.077 31.700 0.245 0.000 0.787 412 E N 1.014 121.314 120.200 0.167 0.000 2.204 412 E HA -0.183 4.167 4.350 0.000 0.000 0.194 412 E C 1.672 178.345 176.600 0.122 0.000 0.989 412 E CA 1.042 57.521 56.400 0.133 0.000 0.824 412 E CB -0.782 28.958 29.700 0.066 0.000 0.756 412 E HN 0.392 nan 8.360 nan 0.000 0.477 413 E N 1.028 121.285 120.200 0.094 0.000 2.072 413 E HA -0.064 4.286 4.350 0.000 0.000 0.191 413 E C 2.402 179.006 176.600 0.007 0.000 0.985 413 E CA 1.066 57.495 56.400 0.049 0.000 0.801 413 E CB -0.187 29.544 29.700 0.051 0.000 0.750 413 E HN 0.303 nan 8.360 nan 0.000 0.452 414 I N 0.516 121.101 120.570 0.026 0.000 2.179 414 I HA -0.289 3.881 4.170 0.000 0.000 0.242 414 I C 2.495 178.444 176.117 -0.281 0.000 1.088 414 I CA 1.158 62.413 61.300 -0.075 0.000 1.357 414 I CB -0.376 37.654 38.000 0.050 0.000 1.051 414 I HN 0.110 nan 8.210 nan 0.000 0.409 415 Y N 2.047 122.068 120.300 -0.464 0.000 2.128 415 Y HA -0.346 4.204 4.550 0.000 0.000 0.284 415 Y C 2.763 178.477 175.900 -0.310 0.000 1.154 415 Y CA 2.041 59.832 58.100 -0.515 0.000 1.149 415 Y CB -0.338 37.969 38.460 -0.255 0.000 0.976 415 Y HN -0.012 nan 8.280 nan 0.000 0.505 416 R N 0.640 121.041 120.500 -0.165 0.000 2.073 416 R HA -0.142 4.198 4.340 0.000 0.000 0.234 416 R C 2.349 178.519 176.300 -0.217 0.000 1.134 416 R CA 1.724 57.713 56.100 -0.185 0.000 0.952 416 R CB -1.015 29.258 30.300 -0.045 0.000 0.850 416 R HN 0.378 nan 8.270 nan 0.000 0.433 417 A N 0.557 123.284 122.820 -0.154 0.000 1.978 417 A HA -0.113 4.207 4.320 0.000 0.000 0.220 417 A C 2.223 179.727 177.584 -0.133 0.000 1.170 417 A CA 1.568 53.548 52.037 -0.096 0.000 0.636 417 A CB -0.599 18.364 19.000 -0.062 0.000 0.810 417 A HN 0.383 nan 8.150 nan 0.000 0.448 418 L N -1.339 119.739 121.223 -0.243 0.000 2.027 418 L HA -0.156 4.184 4.340 0.000 0.000 0.206 418 L C 2.462 179.249 176.870 -0.139 0.000 1.074 418 L CA 0.647 55.367 54.840 -0.201 0.000 0.745 418 L CB -0.620 41.274 42.059 -0.275 0.000 0.898 418 L HN 0.276 nan 8.230 nan 0.000 0.433 419 L N 0.142 121.120 121.223 -0.409 0.000 1.989 419 L HA -0.241 4.099 4.340 0.000 0.000 0.211 419 L C 2.544 179.266 176.870 -0.246 0.000 1.071 419 L CA 1.792 56.403 54.840 -0.383 0.000 0.749 419 L CB -0.818 40.906 42.059 -0.557 0.000 0.890 419 L HN 0.232 nan 8.230 nan 0.000 0.431 420 E N -0.947 119.050 120.200 -0.338 0.000 2.118 420 E HA -0.249 4.101 4.350 0.000 0.000 0.195 420 E C 2.207 178.309 176.600 -0.831 0.000 0.992 420 E CA 1.143 57.172 56.400 -0.619 0.000 0.804 420 E CB -0.273 29.186 29.700 -0.401 0.000 0.741 420 E HN 0.536 nan 8.360 nan 0.000 0.458 421 A N 1.133 123.776 122.820 -0.294 0.000 1.933 421 A HA -0.196 4.124 4.320 0.000 0.000 0.218 421 A C 2.441 179.990 177.584 -0.058 0.000 1.175 421 A CA 2.036 54.061 52.037 -0.021 0.000 0.628 421 A CB -0.980 18.117 19.000 0.161 0.000 0.814 421 A HN 0.417 nan 8.150 nan 0.000 0.444 422 T N -2.479 112.058 114.554 -0.028 0.000 2.904 422 T HA 0.167 4.517 4.350 0.000 0.000 0.267 422 T C 1.913 176.535 174.700 -0.130 0.000 1.059 422 T CA 1.389 63.542 62.100 0.089 0.000 1.137 422 T CB -0.444 68.602 68.868 0.296 0.000 0.879 422 T HN 0.505 nan 8.240 nan 0.000 0.467 423 A N 1.098 123.630 122.820 -0.480 0.000 1.898 423 A HA 0.168 4.488 4.320 0.000 0.000 0.216 423 A C 1.953 179.051 177.584 -0.810 0.000 1.181 423 A CA 1.067 52.419 52.037 -1.141 0.000 0.620 423 A CB -0.989 17.357 19.000 -1.090 0.000 0.819 423 A HN 0.469 nan 8.150 nan 0.000 0.442 424 F N 0.466 120.073 119.950 -0.572 0.000 2.186 424 F HA 0.028 4.555 4.527 0.000 0.000 0.299 424 F C 2.613 178.116 175.800 -0.495 0.000 1.090 424 F CA 0.422 58.017 58.000 -0.676 0.000 1.307 424 F CB -1.301 36.920 39.000 -1.298 0.000 1.019 424 F HN 0.253 nan 8.300 nan 0.000 0.489 425 G N -1.015 107.727 108.800 -0.097 0.000 2.418 425 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 425 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 425 G C 1.798 176.752 174.900 0.089 0.000 1.158 425 G CA 1.462 46.687 45.100 0.209 0.000 0.771 425 G HN 0.305 nan 8.290 nan 0.000 0.545 426 T N -0.062 114.449 114.554 -0.072 0.000 2.821 426 T HA -0.059 4.291 4.350 0.000 0.000 0.267 426 T C 2.348 176.928 174.700 -0.200 0.000 1.046 426 T CA 1.258 63.292 62.100 -0.110 0.000 1.139 426 T CB -0.065 68.743 68.868 -0.100 0.000 0.871 426 T HN 0.355 nan 8.240 nan 0.000 0.454 427 R N 0.906 121.233 120.500 -0.288 0.000 2.096 427 R HA -0.002 4.338 4.340 0.000 0.000 0.235 427 R C 2.486 178.691 176.300 -0.159 0.000 1.127 427 R CA 1.359 57.260 56.100 -0.331 0.000 0.968 427 R CB -0.404 29.502 30.300 -0.657 0.000 0.861 427 R HN 0.336 nan 8.270 nan 0.000 0.440 428 A N 0.926 123.765 122.820 0.030 0.000 1.940 428 A HA -0.143 4.177 4.320 0.000 0.000 0.219 428 A C 2.116 179.713 177.584 0.020 0.000 1.176 428 A CA 1.464 53.586 52.037 0.141 0.000 0.631 428 A CB -0.449 18.690 19.000 0.230 0.000 0.814 428 A HN 0.388 nan 8.150 nan 0.000 0.446 429 I N -0.057 120.488 120.570 -0.041 0.000 2.233 429 I HA -0.196 3.974 4.170 0.000 0.000 0.243 429 I C 2.570 178.635 176.117 -0.086 0.000 1.093 429 I CA 1.469 62.691 61.300 -0.131 0.000 1.380 429 I CB -0.276 37.575 38.000 -0.248 0.000 1.067 429 I HN 0.339 nan 8.210 nan 0.000 0.413 430 V N -1.267 118.632 119.914 -0.025 0.000 2.490 430 V HA -0.232 3.888 4.120 0.000 0.000 0.250 430 V C 1.813 177.956 176.094 0.081 0.000 1.061 430 V CA 2.045 64.403 62.300 0.097 0.000 1.064 430 V CB -0.690 31.139 31.823 0.010 0.000 0.670 430 V HN 0.287 nan 8.190 nan 0.000 0.461 431 D N 1.041 121.443 120.400 0.005 0.000 2.219 431 D HA 0.048 4.688 4.640 0.000 0.000 0.205 431 D C 2.260 178.584 176.300 0.040 0.000 0.970 431 D CA 1.641 55.662 54.000 0.036 0.000 0.851 431 D CB -0.200 40.618 40.800 0.030 0.000 0.943 431 D HN 0.613 nan 8.370 nan 0.000 0.488 432 A N -0.148 122.648 122.820 -0.040 0.000 1.898 432 A HA -0.120 4.200 4.320 0.000 0.000 0.216 432 A C 1.893 179.392 177.584 -0.141 0.000 1.181 432 A CA 0.849 52.811 52.037 -0.125 0.000 0.620 432 A CB -0.711 18.141 19.000 -0.245 0.000 0.819 432 A HN 0.103 nan 8.150 nan 0.000 0.442 433 F N -0.480 119.448 119.950 -0.036 0.000 2.039 433 F HA 0.059 4.586 4.527 0.000 0.000 0.294 433 F C 1.544 177.298 175.800 -0.077 0.000 1.130 433 F CA 1.035 58.972 58.000 -0.104 0.000 1.189 433 F CB -1.154 37.769 39.000 -0.127 0.000 0.983 433 F HN 0.338 nan 8.300 nan 0.000 0.471 434 H N -0.817 118.311 119.070 0.096 0.000 2.836 434 H HA 0.360 4.916 4.556 0.000 0.000 0.368 434 H C 1.250 176.584 175.328 0.009 0.000 1.164 434 H CA 0.717 56.771 56.048 0.009 0.000 1.425 434 H CB 0.487 30.240 29.762 -0.015 0.000 1.414 434 H HN 0.393 nan 8.280 nan 0.000 0.614 435 G N 2.528 111.252 108.800 -0.127 0.000 2.212 435 G HA2 -0.366 3.594 3.960 0.000 0.000 0.266 435 G HA3 -0.366 3.594 3.960 0.000 0.000 0.266 435 G C 1.310 176.193 174.900 -0.028 0.000 0.978 435 G CA 0.943 46.032 45.100 -0.019 0.000 0.632 435 G HN 0.668 nan 8.290 nan 0.000 0.537 436 R N -0.287 120.188 120.500 -0.041 0.000 2.476 436 R HA 0.482 4.822 4.340 0.000 0.000 0.276 436 R C 1.935 178.211 176.300 -0.041 0.000 0.941 436 R CA 1.570 57.655 56.100 -0.025 0.000 1.088 436 R CB 0.182 30.474 30.300 -0.014 0.000 1.216 436 R HN 1.334 nan 8.270 nan 0.000 0.533 437 G N -0.574 108.172 108.800 -0.091 0.000 2.284 437 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 437 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 437 G C -0.236 174.594 174.900 -0.116 0.000 1.009 437 G CA 0.011 45.054 45.100 -0.095 0.000 0.625 437 G HN 0.103 nan 8.290 nan 0.000 0.501 438 V N 3.395 123.240 119.914 -0.115 0.000 2.149 438 V HA 0.291 4.411 4.120 0.000 0.000 0.245 438 V C 0.858 176.862 176.094 -0.150 0.000 1.349 438 V CA -0.112 62.083 62.300 -0.175 0.000 1.289 438 V CB -0.105 31.508 31.823 -0.351 0.000 1.401 438 V HN 0.460 nan 8.190 nan 0.000 0.501 439 E N 1.991 122.080 120.200 -0.186 0.000 2.437 439 E HA 0.212 4.562 4.350 0.000 0.000 0.263 439 E C -0.587 175.912 176.600 -0.167 0.000 1.030 439 E CA 0.043 56.321 56.400 -0.204 0.000 0.934 439 E CB 1.170 30.682 29.700 -0.313 0.000 0.943 439 E HN 0.394 nan 8.360 nan 0.000 0.444 440 V N 3.735 123.625 119.914 -0.040 0.000 2.447 440 V HA 0.086 4.206 4.120 0.000 0.000 0.292 440 V C -0.087 175.858 176.094 -0.249 0.000 1.021 440 V CA -0.635 61.577 62.300 -0.147 0.000 0.850 440 V CB 1.126 32.929 31.823 -0.034 0.000 1.005 440 V HN 0.712 nan 8.190 nan 0.000 0.426 441 H N 3.078 122.187 119.070 0.065 0.000 2.750 441 H HA 0.300 4.856 4.556 0.000 0.000 0.263 441 H C 0.589 175.925 175.328 0.014 0.000 0.964 441 H CA 0.513 56.582 56.048 0.034 0.000 1.205 441 H CB 1.109 30.904 29.762 0.055 0.000 1.454 441 H HN 0.815 nan 8.280 nan 0.000 0.503 442 E N 0.268 120.539 120.200 0.118 0.000 2.401 442 E HA 0.391 4.741 4.350 0.000 0.000 0.280 442 E C -1.591 175.048 176.600 0.064 0.000 1.039 442 E CA -0.690 55.743 56.400 0.055 0.000 0.814 442 E CB 1.450 31.167 29.700 0.028 0.000 1.275 442 E HN -0.056 nan 8.360 nan 0.000 0.448 443 L N 1.206 122.419 121.223 -0.017 0.000 2.330 443 L HA 0.594 4.934 4.340 0.000 0.000 0.271 443 L C -1.138 175.662 176.870 -0.116 0.000 1.013 443 L CA -1.071 53.792 54.840 0.040 0.000 0.816 443 L CB 1.193 43.292 42.059 0.068 0.000 1.287 443 L HN 0.549 nan 8.230 nan 0.000 0.435 444 Y N 0.756 121.076 120.300 0.033 0.000 2.361 444 Y HA 0.667 5.217 4.550 -0.000 0.000 0.337 444 Y C -0.001 175.898 175.900 -0.001 0.000 0.965 444 Y CA -0.666 57.444 58.100 0.016 0.000 1.091 444 Y CB 2.255 40.718 38.460 0.004 0.000 1.182 444 Y HN 0.595 nan 8.280 nan 0.000 0.450 445 A N 2.670 125.545 122.820 0.092 0.000 2.350 445 A HA 0.880 5.200 4.320 0.000 0.000 0.324 445 A C -0.669 176.926 177.584 0.018 0.000 1.118 445 A CA -0.534 51.512 52.037 0.015 0.000 0.783 445 A CB 0.431 19.387 19.000 -0.073 0.000 1.236 445 A HN 0.993 nan 8.150 nan 0.000 0.457 446 C N -0.342 118.950 119.300 -0.013 0.000 3.323 446 C HA 1.051 5.511 4.460 0.000 0.000 0.324 446 C C 0.450 175.416 174.990 -0.039 0.000 1.428 446 C CA -0.059 58.952 59.018 -0.011 0.000 1.368 446 C CB 0.936 28.676 27.740 0.000 0.000 1.731 446 C HN 2.907 nan 8.230 nan 0.000 0.455 447 G N -0.139 108.643 108.800 -0.031 0.000 2.525 447 G HA2 0.431 4.391 3.960 0.000 0.000 0.685 447 G HA3 0.431 4.391 3.960 0.000 0.000 0.685 447 G C 0.458 175.340 174.900 -0.029 0.000 1.290 447 G CA -0.043 45.034 45.100 -0.039 0.000 0.915 447 G HN 2.187 nan 8.290 nan 0.000 0.548 448 G N -0.944 107.840 108.800 -0.027 0.000 2.403 448 G HA2 0.209 4.169 3.960 0.000 0.000 0.216 448 G HA3 0.209 4.169 3.960 0.000 0.000 0.216 448 G C 1.918 176.807 174.900 -0.019 0.000 1.154 448 G CA 1.771 46.860 45.100 -0.018 0.000 0.784 448 G HN 0.992 nan 8.290 nan 0.000 0.538 449 L N 1.905 123.109 121.223 -0.032 0.000 1.990 449 L HA -0.033 4.307 4.340 0.000 0.000 0.213 449 L C 0.101 176.942 176.870 -0.049 0.000 1.072 449 L CA 2.044 56.864 54.840 -0.034 0.000 0.755 449 L CB -0.904 41.123 42.059 -0.055 0.000 0.889 449 L HN 0.164 nan 8.230 nan 0.000 0.432 450 P HA -0.143 nan 4.420 nan 0.000 0.239 450 P C 0.747 178.084 177.300 0.061 0.000 1.184 450 P CA 1.046 64.103 63.100 -0.072 0.000 0.760 450 P CB 0.073 31.715 31.700 -0.096 0.000 0.884 451 Q N -0.439 119.400 119.800 0.064 0.000 2.394 451 Q HA 0.047 4.387 4.340 0.000 0.000 0.218 451 Q C 2.036 178.078 176.000 0.070 0.000 0.907 451 Q CA 0.662 56.527 55.803 0.103 0.000 0.919 451 Q CB -0.137 28.629 28.738 0.047 0.000 1.051 451 Q HN 0.282 nan 8.270 nan 0.000 0.538 452 K N 0.857 121.274 120.400 0.029 0.000 2.284 452 K HA 0.013 4.333 4.320 0.000 0.000 0.198 452 K C 0.086 176.686 176.600 -0.001 0.000 1.048 452 K CA 0.374 56.654 56.287 -0.012 0.000 0.987 452 K CB 0.458 32.940 32.500 -0.030 0.000 0.800 452 K HN -0.036 nan 8.250 nan 0.000 0.486 453 N N 1.032 119.756 118.700 0.040 0.000 2.682 453 N HA 0.088 4.828 4.740 0.000 0.000 0.252 453 N C -0.070 175.488 175.510 0.080 0.000 1.081 453 N CA -0.189 52.882 53.050 0.035 0.000 0.844 453 N CB 0.404 38.884 38.487 -0.013 0.000 1.167 453 N HN 0.168 nan 8.380 nan 0.000 0.523 454 H N 0.960 120.012 119.070 -0.031 0.000 2.462 454 H HA -0.070 4.486 4.556 0.000 0.000 0.292 454 H C 1.577 176.854 175.328 -0.085 0.000 1.049 454 H CA 0.477 56.519 56.048 -0.011 0.000 1.334 454 H CB 0.886 30.766 29.762 0.197 0.000 1.404 454 H HN 0.323 nan 8.280 nan 0.000 0.544 455 L N 1.006 122.275 121.223 0.076 0.000 2.056 455 L HA -0.143 4.197 4.340 0.000 0.000 0.207 455 L C 2.156 178.975 176.870 -0.085 0.000 1.078 455 L CA 1.233 56.086 54.840 0.022 0.000 0.749 455 L CB -0.749 41.331 42.059 0.036 0.000 0.901 455 L HN 0.259 nan 8.230 nan 0.000 0.433 456 L N -1.240 119.897 121.223 -0.144 0.000 2.012 456 L HA -0.261 4.079 4.340 0.000 0.000 0.210 456 L C 2.508 179.223 176.870 -0.259 0.000 1.073 456 L CA 1.603 56.330 54.840 -0.188 0.000 0.748 456 L CB -0.253 41.665 42.059 -0.234 0.000 0.891 456 L HN 0.365 nan 8.230 nan 0.000 0.431 457 M N -1.069 118.230 119.600 -0.502 0.000 2.086 457 M HA -0.251 4.229 4.480 0.000 0.000 0.261 457 M C 2.164 178.121 176.300 -0.572 0.000 1.067 457 M CA 1.640 56.457 55.300 -0.805 0.000 1.116 457 M CB -1.349 30.219 32.600 -1.721 0.000 1.348 457 M HN 0.240 nan 8.290 nan 0.000 0.407 458 Q N 0.669 120.226 119.800 -0.405 0.000 2.124 458 Q HA -0.010 4.330 4.340 0.000 0.000 0.202 458 Q C 1.854 177.868 176.000 0.024 0.000 0.977 458 Q CA 1.464 57.268 55.803 0.003 0.000 0.850 458 Q CB -0.374 28.467 28.738 0.171 0.000 0.901 458 Q HN 0.579 nan 8.270 nan 0.000 0.429 459 I N -0.747 119.802 120.570 -0.034 0.000 2.252 459 I HA -0.223 3.947 4.170 0.000 0.000 0.245 459 I C 1.701 177.700 176.117 -0.197 0.000 1.102 459 I CA 0.885 62.108 61.300 -0.127 0.000 1.385 459 I CB -0.279 37.615 38.000 -0.177 0.000 1.064 459 I HN 0.184 nan 8.210 nan 0.000 0.414 460 F N 0.948 120.714 119.950 -0.306 0.000 2.126 460 F HA -0.280 4.247 4.527 0.000 0.000 0.299 460 F C 2.634 178.312 175.800 -0.203 0.000 1.096 460 F CA 1.323 59.161 58.000 -0.270 0.000 1.255 460 F CB -0.253 38.613 39.000 -0.225 0.000 0.997 460 F HN 0.029 nan 8.300 nan 0.000 0.479 461 A N -0.234 122.606 122.820 0.033 0.000 1.930 461 A HA -0.187 4.133 4.320 0.000 0.000 0.217 461 A C 1.834 179.417 177.584 -0.001 0.000 1.175 461 A CA 1.976 54.029 52.037 0.027 0.000 0.627 461 A CB -0.694 18.361 19.000 0.092 0.000 0.815 461 A HN 0.281 nan 8.150 nan 0.000 0.443 462 D N -0.311 120.096 120.400 0.010 0.000 2.144 462 D HA -0.077 4.563 4.640 0.000 0.000 0.200 462 D C 2.046 178.339 176.300 -0.012 0.000 0.978 462 D CA 1.335 55.390 54.000 0.091 0.000 0.833 462 D CB -0.362 40.623 40.800 0.309 0.000 0.961 462 D HN 0.237 nan 8.370 nan 0.000 0.470 463 V N 1.181 120.925 119.914 -0.285 0.000 2.379 463 V HA -0.164 3.956 4.120 0.000 0.000 0.245 463 V C 2.579 178.514 176.094 -0.266 0.000 1.044 463 V CA 2.115 64.206 62.300 -0.347 0.000 1.036 463 V CB -0.723 30.713 31.823 -0.645 0.000 0.664 463 V HN 0.352 nan 8.190 nan 0.000 0.453 464 T N -2.928 111.471 114.554 -0.258 0.000 3.067 464 T HA -0.003 4.347 4.350 0.000 0.000 0.257 464 T C 1.206 175.827 174.700 -0.131 0.000 1.105 464 T CA 0.716 62.686 62.100 -0.217 0.000 1.104 464 T CB -0.380 68.381 68.868 -0.179 0.000 0.925 464 T HN 0.410 nan 8.240 nan 0.000 0.498 465 N N 1.089 119.742 118.700 -0.079 0.000 2.747 465 N HA -0.177 4.563 4.740 0.000 0.000 0.249 465 N C -0.725 174.765 175.510 -0.032 0.000 1.107 465 N CA 0.508 53.537 53.050 -0.035 0.000 0.707 465 N CB -1.393 37.074 38.487 -0.033 0.000 1.054 465 N HN 0.687 nan 8.380 nan 0.000 0.555 466 R N 0.106 120.588 120.500 -0.031 0.000 2.750 466 R HA 0.355 4.695 4.340 0.000 0.000 0.281 466 R C -0.304 175.994 176.300 -0.004 0.000 0.972 466 R CA -0.859 55.230 56.100 -0.017 0.000 0.912 466 R CB 1.520 31.805 30.300 -0.025 0.000 1.187 466 R HN 0.326 nan 8.270 nan 0.000 0.464 467 E N 2.588 122.782 120.200 -0.010 0.000 2.390 467 E HA 0.166 4.516 4.350 0.000 0.000 0.261 467 E C -0.805 175.769 176.600 -0.042 0.000 1.076 467 E CA -0.106 56.284 56.400 -0.017 0.000 0.905 467 E CB 0.703 30.378 29.700 -0.041 0.000 0.984 467 E HN 0.373 nan 8.360 nan 0.000 0.427 468 I N 3.570 124.136 120.570 -0.007 0.000 2.466 468 I HA 0.294 4.464 4.170 0.000 0.000 0.289 468 I C -0.538 175.555 176.117 -0.040 0.000 1.026 468 I CA -0.802 60.480 61.300 -0.030 0.000 1.078 468 I CB 1.869 39.897 38.000 0.045 0.000 1.249 468 I HN 0.378 nan 8.210 nan 0.000 0.429 469 K N 4.966 125.235 120.400 -0.218 0.000 2.182 469 K HA 0.704 5.024 4.320 0.000 0.000 0.262 469 K C -0.977 175.593 176.600 -0.050 0.000 0.957 469 K CA -0.697 55.480 56.287 -0.184 0.000 0.842 469 K CB 2.704 34.963 32.500 -0.402 0.000 1.099 469 K HN 0.257 nan 8.250 nan 0.000 0.438 470 V N 1.842 121.773 119.914 0.028 0.000 2.732 470 V HA 0.457 4.577 4.120 0.000 0.000 0.310 470 V C 0.224 176.358 176.094 0.066 0.000 1.053 470 V CA -1.118 61.217 62.300 0.060 0.000 0.957 470 V CB 1.592 33.469 31.823 0.090 0.000 1.018 470 V HN 0.956 nan 8.190 nan 0.000 0.452 471 A N 2.408 125.268 122.820 0.066 0.000 2.466 471 A HA 0.575 4.895 4.320 0.000 0.000 0.238 471 A C 1.103 178.714 177.584 0.045 0.000 1.074 471 A CA 0.578 52.651 52.037 0.059 0.000 0.774 471 A CB 0.301 19.326 19.000 0.041 0.000 1.015 471 A HN 1.411 nan 8.150 nan 0.000 0.498 472 A N 0.869 123.711 122.820 0.037 0.000 2.229 472 A HA 0.395 4.715 4.320 0.000 0.000 0.211 472 A C 1.232 178.830 177.584 0.023 0.000 1.193 472 A CA 0.788 52.842 52.037 0.029 0.000 0.879 472 A CB -0.590 18.424 19.000 0.024 0.000 0.911 472 A HN 1.398 nan 8.150 nan 0.000 0.492 473 S N 0.401 116.113 115.700 0.021 0.000 2.580 473 S HA 0.342 4.812 4.470 0.000 0.000 0.274 473 S C 0.662 175.269 174.600 0.012 0.000 1.329 473 S CA 0.105 58.314 58.200 0.015 0.000 1.036 473 S CB 1.443 64.650 63.200 0.012 0.000 0.919 473 S HN 0.458 nan 8.310 nan 0.000 0.515 474 K N 1.018 121.423 120.400 0.008 0.000 2.128 474 K HA 0.163 4.483 4.320 0.000 0.000 0.202 474 K C 0.900 177.497 176.600 -0.004 0.000 1.050 474 K CA 0.514 56.803 56.287 0.003 0.000 0.966 474 K CB -0.161 32.339 32.500 -0.000 0.000 0.759 474 K HN 0.455 nan 8.250 nan 0.000 0.454 475 Q N 1.311 121.109 119.800 -0.004 0.000 2.923 475 Q HA 0.247 4.587 4.340 0.000 0.000 0.363 475 Q C -0.152 175.846 176.000 -0.003 0.000 1.159 475 Q CA -0.049 55.748 55.803 -0.010 0.000 1.073 475 Q CB 0.203 28.932 28.738 -0.015 0.000 1.364 475 Q HN 0.358 nan 8.270 nan 0.000 0.466 476 T N 0.224 114.777 114.554 -0.001 0.000 2.653 476 T HA -0.181 4.169 4.350 0.000 0.000 0.268 476 T C -0.993 173.713 174.700 0.010 0.000 1.035 476 T CA 1.706 63.808 62.100 0.004 0.000 1.154 476 T CB -0.780 68.089 68.868 0.001 0.000 0.862 476 T HN 0.406 nan 8.240 nan 0.000 0.441 477 P HA 0.051 nan 4.420 nan 0.000 0.216 477 P C 1.646 178.968 177.300 0.037 0.000 1.153 477 P CA 1.282 64.395 63.100 0.022 0.000 0.848 477 P CB -0.263 31.441 31.700 0.005 0.000 0.787 478 A N -0.300 122.529 122.820 0.015 0.000 1.908 478 A HA -0.202 4.118 4.320 0.000 0.000 0.218 478 A C 2.115 179.722 177.584 0.039 0.000 1.181 478 A CA 1.653 53.701 52.037 0.017 0.000 0.627 478 A CB -1.745 17.249 19.000 -0.009 0.000 0.818 478 A HN 0.192 nan 8.150 nan 0.000 0.445 479 L N 0.083 121.324 121.223 0.031 0.000 2.131 479 L HA 0.000 4.340 4.340 0.000 0.000 0.210 479 L C 2.224 179.116 176.870 0.038 0.000 1.092 479 L CA 2.212 57.070 54.840 0.030 0.000 0.759 479 L CB -0.936 41.131 42.059 0.015 0.000 0.903 479 L HN 0.259 nan 8.230 nan 0.000 0.435 480 G N -1.123 107.714 108.800 0.061 0.000 2.403 480 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 480 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 480 G C 1.576 176.606 174.900 0.216 0.000 1.154 480 G CA 0.642 45.806 45.100 0.107 0.000 0.784 480 G HN 0.615 nan 8.290 nan 0.000 0.538 481 A N 1.376 124.307 122.820 0.186 0.000 1.873 481 A HA 0.292 4.612 4.320 0.000 0.000 0.215 481 A C 2.833 180.530 177.584 0.187 0.000 1.186 481 A CA 2.209 54.373 52.037 0.211 0.000 0.616 481 A CB -0.922 18.160 19.000 0.138 0.000 0.823 481 A HN 0.780 nan 8.150 nan 0.000 0.442 482 A N -0.619 122.273 122.820 0.121 0.000 1.940 482 A HA -0.186 4.134 4.320 0.000 0.000 0.219 482 A C 2.265 179.907 177.584 0.097 0.000 1.176 482 A CA 1.990 54.089 52.037 0.103 0.000 0.631 482 A CB -0.573 18.475 19.000 0.081 0.000 0.814 482 A HN 0.560 nan 8.150 nan 0.000 0.446 483 M N -2.132 117.497 119.600 0.049 0.000 2.067 483 M HA -0.090 4.390 4.480 0.000 0.000 0.260 483 M C 1.968 178.244 176.300 -0.041 0.000 1.069 483 M CA 1.627 56.895 55.300 -0.053 0.000 1.117 483 M CB -0.427 32.046 32.600 -0.213 0.000 1.334 483 M HN 0.436 nan 8.290 nan 0.000 0.407 484 F N 0.276 120.258 119.950 0.054 0.000 2.216 484 F HA -0.130 4.397 4.527 0.000 0.000 0.300 484 F C 2.565 178.403 175.800 0.063 0.000 1.085 484 F CA 1.324 59.358 58.000 0.056 0.000 1.326 484 F CB -0.844 38.187 39.000 0.050 0.000 1.027 484 F HN 0.119 nan 8.300 nan 0.000 0.497 485 A N -0.341 122.622 122.820 0.238 0.000 1.930 485 A HA -0.183 4.137 4.320 0.000 0.000 0.217 485 A C 2.383 180.047 177.584 0.132 0.000 1.175 485 A CA 1.822 53.956 52.037 0.160 0.000 0.627 485 A CB -1.182 17.896 19.000 0.130 0.000 0.815 485 A HN 0.386 nan 8.150 nan 0.000 0.443 486 S N -0.307 115.476 115.700 0.138 0.000 2.399 486 S HA -0.117 4.353 4.470 0.000 0.000 0.231 486 S C 1.721 176.408 174.600 0.146 0.000 1.022 486 S CA 1.542 59.827 58.200 0.142 0.000 0.983 486 S CB -0.757 62.586 63.200 0.239 0.000 0.803 486 S HN 0.250 nan 8.310 nan 0.000 0.480 487 V N 2.150 122.158 119.914 0.158 0.000 2.453 487 V HA 0.021 4.141 4.120 0.000 0.000 0.247 487 V C 3.136 179.299 176.094 0.116 0.000 1.048 487 V CA 1.417 63.805 62.300 0.147 0.000 1.049 487 V CB -1.400 30.513 31.823 0.150 0.000 0.672 487 V HN 0.671 nan 8.190 nan 0.000 0.457 488 A N 0.108 123.000 122.820 0.120 0.000 1.930 488 A HA -0.044 4.276 4.320 0.000 0.000 0.217 488 A C 2.401 180.017 177.584 0.054 0.000 1.175 488 A CA 1.835 53.923 52.037 0.085 0.000 0.627 488 A CB -0.618 18.433 19.000 0.085 0.000 0.815 488 A HN 0.537 nan 8.150 nan 0.000 0.443 489 A N -1.121 121.729 122.820 0.050 0.000 1.930 489 A HA 0.399 4.719 4.320 0.000 0.000 0.217 489 A C 1.677 179.263 177.584 0.004 0.000 1.175 489 A CA 1.650 53.701 52.037 0.023 0.000 0.627 489 A CB -1.153 17.856 19.000 0.016 0.000 0.815 489 A HN 2.205 nan 8.150 nan 0.000 0.443 490 G N -1.914 106.890 108.800 0.006 0.000 2.730 490 G HA2 0.014 3.974 3.960 0.000 0.000 0.686 490 G HA3 0.014 3.974 3.960 0.000 0.000 0.686 490 G C 0.637 175.499 174.900 -0.063 0.000 1.343 490 G CA 0.383 45.477 45.100 -0.010 0.000 0.826 490 G HN 1.371 nan 8.290 nan 0.000 0.582 491 S N -0.407 115.252 115.700 -0.068 0.000 2.383 491 S HA -0.091 4.379 4.470 0.000 0.000 0.227 491 S C 1.804 176.346 174.600 -0.097 0.000 1.026 491 S CA 1.814 59.944 58.200 -0.118 0.000 0.981 491 S CB -0.132 63.022 63.200 -0.077 0.000 0.818 491 S HN 1.267 nan 8.310 nan 0.000 0.472 492 E N 1.720 121.885 120.200 -0.059 0.000 2.455 492 E HA -0.090 4.260 4.350 0.000 0.000 0.202 492 E C 1.300 177.870 176.600 -0.051 0.000 1.045 492 E CA 1.081 57.453 56.400 -0.047 0.000 0.872 492 E CB -0.300 29.383 29.700 -0.029 0.000 0.792 492 E HN 0.700 nan 8.360 nan 0.000 0.542 493 V N -5.690 114.186 119.914 -0.064 0.000 3.398 493 V HA 0.606 4.726 4.120 0.000 0.000 0.298 493 V C 1.184 177.227 176.094 -0.084 0.000 1.496 493 V CA 0.217 62.482 62.300 -0.058 0.000 1.044 493 V CB 0.472 32.273 31.823 -0.037 0.000 0.880 493 V HN 0.163 nan 8.190 nan 0.000 0.443 494 G N -0.479 108.243 108.800 -0.131 0.000 2.296 494 G HA2 -0.028 3.932 3.960 0.000 0.000 0.188 494 G HA3 -0.028 3.932 3.960 0.000 0.000 0.188 494 G C 0.621 175.336 174.900 -0.309 0.000 1.000 494 G CA 0.065 45.052 45.100 -0.187 0.000 0.672 494 G HN 1.151 nan 8.290 nan 0.000 0.483 495 G N -0.640 107.994 108.800 -0.276 0.000 2.666 495 G HA2 0.595 4.555 3.960 0.000 0.000 0.207 495 G HA3 0.595 4.555 3.960 0.000 0.000 0.207 495 G C -0.313 174.184 174.900 -0.671 0.000 1.481 495 G CA -0.534 44.350 45.100 -0.361 0.000 1.071 495 G HN 0.354 nan 8.290 nan 0.000 0.572 496 Y N -1.893 118.399 120.300 -0.013 0.000 2.605 496 Y HA 0.374 4.924 4.550 0.000 0.000 0.343 496 Y C 0.532 176.429 175.900 -0.006 0.000 1.036 496 Y CA -0.856 57.234 58.100 -0.016 0.000 1.065 496 Y CB 2.353 40.794 38.460 -0.030 0.000 1.288 496 Y HN 0.339 nan 8.280 nan 0.000 0.481 497 D N 0.064 120.558 120.400 0.157 0.000 2.389 497 D HA 0.217 4.857 4.640 0.000 0.000 0.206 497 D C 0.166 176.519 176.300 0.088 0.000 1.055 497 D CA 0.627 54.681 54.000 0.090 0.000 0.856 497 D CB 0.611 41.445 40.800 0.057 0.000 0.957 497 D HN 0.601 nan 8.370 nan 0.000 0.509 498 S N 0.492 116.253 115.700 0.101 0.000 2.546 498 S HA 0.346 4.816 4.470 0.000 0.000 0.274 498 S C 0.520 175.118 174.600 -0.004 0.000 1.121 498 S CA -0.577 57.654 58.200 0.052 0.000 0.887 498 S CB 1.530 64.751 63.200 0.034 0.000 1.094 498 S HN -0.177 nan 8.310 nan 0.000 0.474 499 I N 1.346 121.890 120.570 -0.043 0.000 2.493 499 I HA -0.095 4.075 4.170 0.000 0.000 0.254 499 I C 1.927 177.931 176.117 -0.188 0.000 1.160 499 I CA 1.319 62.504 61.300 -0.193 0.000 1.445 499 I CB -0.667 37.167 38.000 -0.276 0.000 1.086 499 I HN 0.831 nan 8.210 nan 0.000 0.433 500 E N 0.546 120.691 120.200 -0.092 0.000 2.031 500 E HA -0.221 4.129 4.350 0.000 0.000 0.193 500 E C 1.760 178.275 176.600 -0.141 0.000 0.994 500 E CA 0.924 57.274 56.400 -0.084 0.000 0.800 500 E CB -0.491 29.201 29.700 -0.013 0.000 0.752 500 E HN 0.465 nan 8.360 nan 0.000 0.447 501 E N 1.272 121.396 120.200 -0.127 0.000 2.085 501 E HA -0.141 4.209 4.350 0.000 0.000 0.194 501 E C 2.121 178.403 176.600 -0.531 0.000 0.994 501 E CA 1.256 57.554 56.400 -0.169 0.000 0.801 501 E CB -0.396 29.316 29.700 0.021 0.000 0.743 501 E HN 0.309 nan 8.360 nan 0.000 0.453 502 A N 1.608 123.993 122.820 -0.725 0.000 1.877 502 A HA -0.108 4.212 4.320 0.000 0.000 0.216 502 A C 2.469 179.691 177.584 -0.604 0.000 1.186 502 A CA 2.300 53.660 52.037 -1.129 0.000 0.620 502 A CB -0.721 17.917 19.000 -0.602 0.000 0.822 502 A HN 0.278 nan 8.150 nan 0.000 0.443 503 A N -0.311 122.280 122.820 -0.382 0.000 1.908 503 A HA -0.229 4.091 4.320 0.000 0.000 0.218 503 A C 2.126 179.586 177.584 -0.207 0.000 1.181 503 A CA 2.172 54.055 52.037 -0.257 0.000 0.627 503 A CB -0.533 18.342 19.000 -0.208 0.000 0.818 503 A HN 0.547 nan 8.150 nan 0.000 0.445 504 K N -0.439 119.840 120.400 -0.202 0.000 2.152 504 K HA -0.164 4.156 4.320 0.000 0.000 0.206 504 K C 1.717 178.244 176.600 -0.123 0.000 1.048 504 K CA 1.807 58.014 56.287 -0.133 0.000 0.933 504 K CB -0.072 32.364 32.500 -0.107 0.000 0.721 504 K HN 0.525 nan 8.250 nan 0.000 0.447 505 K N -1.169 119.119 120.400 -0.186 0.000 2.335 505 K HA 0.140 4.460 4.320 0.000 0.000 0.195 505 K C 1.673 178.216 176.600 -0.094 0.000 1.058 505 K CA 0.365 56.584 56.287 -0.113 0.000 0.988 505 K CB 0.403 32.861 32.500 -0.071 0.000 0.880 505 K HN 0.128 nan 8.250 nan 0.000 0.513 506 M N 0.652 120.163 119.600 -0.149 0.000 2.414 506 M HA 0.127 4.607 4.480 0.000 0.000 0.251 506 M C 0.924 177.179 176.300 -0.075 0.000 1.116 506 M CA -0.059 55.186 55.300 -0.092 0.000 1.056 506 M CB 0.737 33.274 32.600 -0.106 0.000 1.388 506 M HN -0.007 nan 8.290 nan 0.000 0.487 507 G N 2.591 111.335 108.800 -0.094 0.000 2.361 507 G HA2 0.332 4.292 3.960 0.000 0.000 0.260 507 G HA3 0.332 4.292 3.960 0.000 0.000 0.260 507 G C -0.374 174.510 174.900 -0.027 0.000 1.261 507 G CA -0.367 44.693 45.100 -0.068 0.000 0.897 507 G HN 0.364 nan 8.290 nan 0.000 0.499 508 R N 1.936 122.431 120.500 -0.007 0.000 2.480 508 R HA 0.574 4.914 4.340 0.000 0.000 0.306 508 R C -1.337 174.985 176.300 0.037 0.000 0.958 508 R CA -0.753 55.355 56.100 0.013 0.000 0.861 508 R CB 2.499 32.805 30.300 0.010 0.000 1.171 508 R HN 0.307 nan 8.270 nan 0.000 0.445 509 V N 2.657 122.598 119.914 0.045 0.000 2.925 509 V HA 0.297 4.417 4.120 0.000 0.000 0.311 509 V C -0.086 176.024 176.094 0.026 0.000 1.104 509 V CA -1.159 61.176 62.300 0.059 0.000 0.954 509 V CB 2.635 34.520 31.823 0.103 0.000 1.022 509 V HN 0.651 nan 8.190 nan 0.000 0.427 510 K N 1.434 121.843 120.400 0.015 0.000 2.276 510 K HA 0.124 4.444 4.320 0.000 0.000 0.259 510 K C 0.260 176.842 176.600 -0.030 0.000 1.001 510 K CA -0.052 56.230 56.287 -0.008 0.000 0.927 510 K CB 0.625 33.116 32.500 -0.014 0.000 0.969 510 K HN 0.668 nan 8.250 nan 0.000 0.490 511 D N 0.745 121.121 120.400 -0.040 0.000 2.249 511 D HA -0.060 4.580 4.640 0.000 0.000 0.205 511 D C -0.301 175.946 176.300 -0.088 0.000 0.962 511 D CA 0.847 54.816 54.000 -0.051 0.000 0.860 511 D CB 0.405 41.181 40.800 -0.040 0.000 0.955 511 D HN 0.304 nan 8.370 nan 0.000 0.505 512 E N 0.972 121.100 120.200 -0.120 0.000 2.180 512 E HA 0.126 4.476 4.350 0.000 0.000 0.283 512 E C 0.135 176.566 176.600 -0.281 0.000 1.061 512 E CA 0.058 56.335 56.400 -0.205 0.000 0.861 512 E CB 1.088 30.648 29.700 -0.234 0.000 1.056 512 E HN 0.209 nan 8.360 nan 0.000 0.407 513 T N -0.359 114.029 114.554 -0.278 0.000 2.950 513 T HA 0.582 4.932 4.350 0.000 0.000 0.288 513 T C -0.128 174.354 174.700 -0.364 0.000 1.035 513 T CA -0.769 61.181 62.100 -0.249 0.000 1.028 513 T CB 0.607 69.395 68.868 -0.133 0.000 1.109 513 T HN 0.143 nan 8.240 nan 0.000 0.514 514 F N 1.444 121.330 119.950 -0.106 0.000 2.371 514 F HA 0.453 4.980 4.527 0.000 0.000 0.363 514 F C 0.987 176.751 175.800 -0.059 0.000 1.122 514 F CA -0.710 57.242 58.000 -0.081 0.000 1.129 514 F CB 1.159 40.108 39.000 -0.086 0.000 1.173 514 F HN 0.336 nan 8.300 nan 0.000 0.489 515 K N 5.349 125.791 120.400 0.070 0.000 2.159 515 K HA 0.381 4.701 4.320 0.000 0.000 0.266 515 K C -2.510 174.126 176.600 0.060 0.000 0.975 515 K CA -1.954 54.357 56.287 0.040 0.000 0.865 515 K CB 1.371 33.866 32.500 -0.008 0.000 1.087 515 K HN 0.239 nan 8.250 nan 0.000 0.446 516 P HA 0.039 nan 4.420 nan 0.000 0.268 516 P C -0.498 176.820 177.300 0.030 0.000 1.204 516 P CA 0.257 63.390 63.100 0.055 0.000 0.768 516 P CB 0.490 32.213 31.700 0.038 0.000 0.842 517 I N 6.401 126.989 120.570 0.031 0.000 2.291 517 I HA 0.116 4.286 4.170 0.000 0.000 0.292 517 I C -0.755 175.324 176.117 -0.062 0.000 1.064 517 I CA -2.323 58.931 61.300 -0.078 0.000 1.269 517 I CB 1.442 39.290 38.000 -0.253 0.000 1.418 517 I HN 0.254 nan 8.210 nan 0.000 0.485 518 P HA -0.280 nan 4.420 nan 0.000 0.218 518 P C 0.993 178.290 177.300 -0.005 0.000 1.154 518 P CA 1.698 64.788 63.100 -0.016 0.000 0.872 518 P CB 0.039 31.725 31.700 -0.022 0.000 0.790 519 E N -0.994 119.173 120.200 -0.056 0.000 2.274 519 E HA -0.199 4.151 4.350 0.000 0.000 0.194 519 E C 1.694 178.367 176.600 0.122 0.000 0.996 519 E CA 1.085 57.484 56.400 -0.002 0.000 0.840 519 E CB -1.024 28.656 29.700 -0.034 0.000 0.772 519 E HN 0.388 nan 8.360 nan 0.000 0.491 520 H N 1.306 120.389 119.070 0.021 0.000 2.415 520 H HA 0.007 4.563 4.556 0.000 0.000 0.297 520 H C 2.504 177.903 175.328 0.118 0.000 1.048 520 H CA 1.482 57.544 56.048 0.023 0.000 1.365 520 H CB -0.472 29.361 29.762 0.119 0.000 1.421 520 H HN 0.228 nan 8.280 nan 0.000 0.533 521 V N -0.708 119.360 119.914 0.256 0.000 2.594 521 V HA -0.104 4.016 4.120 0.000 0.000 0.253 521 V C 2.366 178.554 176.094 0.158 0.000 1.069 521 V CA 1.655 64.080 62.300 0.208 0.000 1.082 521 V CB -1.188 30.703 31.823 0.112 0.000 0.680 521 V HN 0.350 nan 8.190 nan 0.000 0.469 522 A N 0.735 123.621 122.820 0.109 0.000 1.897 522 A HA 0.039 4.359 4.320 0.000 0.000 0.215 522 A C 2.198 179.818 177.584 0.061 0.000 1.181 522 A CA 1.843 53.924 52.037 0.072 0.000 0.620 522 A CB -0.502 18.525 19.000 0.046 0.000 0.821 522 A HN 0.471 nan 8.150 nan 0.000 0.443 523 I N -1.433 119.152 120.570 0.025 0.000 2.252 523 I HA -0.180 3.990 4.170 0.000 0.000 0.245 523 I C 2.310 178.422 176.117 -0.009 0.000 1.102 523 I CA 1.313 62.582 61.300 -0.052 0.000 1.385 523 I CB -1.642 36.248 38.000 -0.184 0.000 1.064 523 I HN 0.348 nan 8.210 nan 0.000 0.414 524 Y N 1.437 121.797 120.300 0.100 0.000 2.333 524 Y HA -0.229 4.321 4.550 0.000 0.000 0.290 524 Y C 2.607 178.603 175.900 0.159 0.000 1.144 524 Y CA 1.423 59.619 58.100 0.160 0.000 1.228 524 Y CB -0.628 37.913 38.460 0.134 0.000 0.985 524 Y HN 0.250 nan 8.280 nan 0.000 0.542 525 E N 0.711 121.059 120.200 0.246 0.000 2.077 525 E HA -0.187 4.163 4.350 0.000 0.000 0.193 525 E C 1.835 178.520 176.600 0.141 0.000 0.989 525 E CA 1.722 58.227 56.400 0.175 0.000 0.800 525 E CB -0.098 29.669 29.700 0.111 0.000 0.746 525 E HN 0.346 nan 8.360 nan 0.000 0.452 526 K N -0.297 120.161 120.400 0.096 0.000 2.062 526 K HA 0.013 4.334 4.320 0.000 0.000 0.205 526 K C 2.249 178.856 176.600 0.011 0.000 1.051 526 K CA 1.101 57.413 56.287 0.040 0.000 0.941 526 K CB -0.125 32.388 32.500 0.021 0.000 0.719 526 K HN 0.176 nan 8.250 nan 0.000 0.440 527 L N -0.066 121.192 121.223 0.058 0.000 2.083 527 L HA -0.206 4.134 4.340 0.000 0.000 0.209 527 L C 2.453 179.123 176.870 -0.333 0.000 1.083 527 L CA 1.129 55.967 54.840 -0.004 0.000 0.752 527 L CB -0.433 41.797 42.059 0.285 0.000 0.899 527 L HN 0.200 nan 8.230 nan 0.000 0.433 528 Y N 0.849 120.884 120.300 -0.442 0.000 2.181 528 Y HA -0.259 4.291 4.550 0.000 0.000 0.288 528 Y C 2.736 178.457 175.900 -0.299 0.000 1.146 528 Y CA 1.412 59.113 58.100 -0.665 0.000 1.164 528 Y CB -0.149 38.147 38.460 -0.272 0.000 0.982 528 Y HN 0.155 nan 8.280 nan 0.000 0.515 529 Q N 0.466 120.123 119.800 -0.239 0.000 2.170 529 Q HA -0.167 4.173 4.340 0.000 0.000 0.203 529 Q C 2.009 177.861 176.000 -0.246 0.000 0.976 529 Q CA 1.559 57.216 55.803 -0.244 0.000 0.858 529 Q CB -0.276 28.407 28.738 -0.090 0.000 0.907 529 Q HN 0.595 nan 8.270 nan 0.000 0.433 530 E N -0.425 119.650 120.200 -0.209 0.000 2.072 530 E HA -0.162 4.188 4.350 0.000 0.000 0.191 530 E C 1.872 178.360 176.600 -0.186 0.000 0.985 530 E CA 0.677 56.981 56.400 -0.161 0.000 0.801 530 E CB -0.394 29.239 29.700 -0.112 0.000 0.750 530 E HN 0.465 nan 8.360 nan 0.000 0.452 531 Y N 1.856 121.885 120.300 -0.453 0.000 2.145 531 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 531 Y C 2.299 177.987 175.900 -0.354 0.000 1.145 531 Y CA 1.405 59.243 58.100 -0.436 0.000 1.148 531 Y CB -0.304 37.728 38.460 -0.713 0.000 0.981 531 Y HN -0.209 nan 8.280 nan 0.000 0.507 532 V N 0.097 119.780 119.914 -0.384 0.000 2.231 532 V HA -0.418 3.702 4.120 0.000 0.000 0.248 532 V C 2.311 178.295 176.094 -0.182 0.000 1.054 532 V CA 2.629 64.705 62.300 -0.374 0.000 1.015 532 V CB -1.334 30.217 31.823 -0.453 0.000 0.638 532 V HN 0.541 nan 8.190 nan 0.000 0.444 533 T N 0.505 114.961 114.554 -0.164 0.000 2.635 533 T HA -0.214 4.136 4.350 0.000 0.000 0.267 533 T C 1.847 176.516 174.700 -0.052 0.000 1.040 533 T CA 1.964 64.007 62.100 -0.095 0.000 1.156 533 T CB -0.388 68.409 68.868 -0.118 0.000 0.863 533 T HN 0.317 nan 8.240 nan 0.000 0.430 534 L N 0.162 121.333 121.223 -0.087 0.000 2.093 534 L HA -0.112 4.228 4.340 0.000 0.000 0.208 534 L C 2.699 179.615 176.870 0.077 0.000 1.085 534 L CA 1.366 56.214 54.840 0.013 0.000 0.755 534 L CB -0.780 41.286 42.059 0.012 0.000 0.904 534 L HN 0.441 nan 8.230 nan 0.000 0.435 535 H N 1.023 119.936 119.070 -0.262 0.000 2.289 535 H HA -0.211 4.345 4.556 0.000 0.000 0.296 535 H C 1.509 176.956 175.328 0.199 0.000 1.091 535 H CA 2.331 58.284 56.048 -0.159 0.000 1.274 535 H CB 0.065 29.609 29.762 -0.362 0.000 1.364 535 H HN 0.333 nan 8.280 nan 0.000 0.490 536 D N -0.318 120.262 120.400 0.299 0.000 2.149 536 D HA -0.128 4.512 4.640 0.000 0.000 0.201 536 D C 2.114 178.478 176.300 0.107 0.000 0.972 536 D CA 0.787 54.910 54.000 0.205 0.000 0.835 536 D CB -0.817 40.079 40.800 0.160 0.000 0.966 536 D HN 0.434 nan 8.370 nan 0.000 0.476 537 Y N 0.636 120.898 120.300 -0.063 0.000 2.114 537 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 537 Y C 1.865 177.642 175.900 -0.205 0.000 1.143 537 Y CA 1.567 59.540 58.100 -0.213 0.000 1.135 537 Y CB -0.517 37.692 38.460 -0.418 0.000 0.980 537 Y HN -0.159 nan 8.280 nan 0.000 0.499 538 F N -0.583 119.368 119.950 0.001 0.000 2.367 538 F HA 0.149 4.676 4.527 0.000 0.000 0.298 538 F C 2.463 178.273 175.800 0.016 0.000 1.094 538 F CA 1.228 59.209 58.000 -0.032 0.000 1.409 538 F CB -0.639 38.468 39.000 0.177 0.000 1.064 538 F HN 0.139 nan 8.300 nan 0.000 0.528 539 G N -1.048 107.887 108.800 0.225 0.000 3.159 539 G HA2 0.065 4.025 3.960 0.000 0.000 0.232 539 G HA3 0.065 4.025 3.960 0.000 0.000 0.232 539 G C 1.370 176.203 174.900 -0.112 0.000 1.116 539 G CA -0.207 44.858 45.100 -0.058 0.000 0.767 539 G HN 0.171 nan 8.290 nan 0.000 0.547 540 R N -0.250 120.215 120.500 -0.058 0.000 2.577 540 R HA 0.310 4.650 4.340 0.000 0.000 0.344 540 R C 1.428 177.685 176.300 -0.072 0.000 1.037 540 R CA 0.399 56.467 56.100 -0.053 0.000 1.102 540 R CB 0.693 30.992 30.300 -0.002 0.000 1.313 540 R HN 0.283 nan 8.270 nan 0.000 0.561 541 G N 0.325 109.063 108.800 -0.105 0.000 2.195 541 G HA2 -0.374 3.586 3.960 0.000 0.000 0.246 541 G HA3 -0.374 3.586 3.960 0.000 0.000 0.246 541 G C 0.983 175.794 174.900 -0.149 0.000 0.984 541 G CA 0.262 45.294 45.100 -0.112 0.000 0.633 541 G HN 0.403 nan 8.290 nan 0.000 0.525 542 A N -0.301 122.398 122.820 -0.200 0.000 1.972 542 A HA 0.244 4.564 4.320 0.000 0.000 0.219 542 A C 1.188 178.561 177.584 -0.351 0.000 1.169 542 A CA 2.108 54.010 52.037 -0.226 0.000 0.635 542 A CB -0.070 18.822 19.000 -0.181 0.000 0.810 542 A HN 1.053 nan 8.150 nan 0.000 0.446 543 N N -0.081 118.302 118.700 -0.527 0.000 2.599 543 N HA 0.166 4.906 4.740 0.000 0.000 0.283 543 N C -1.949 173.417 175.510 -0.240 0.000 1.160 543 N CA -0.449 52.332 53.050 -0.449 0.000 0.869 543 N CB 1.187 39.182 38.487 -0.821 0.000 1.448 543 N HN -0.004 nan 8.380 nan 0.000 0.535 544 D N 2.901 123.229 120.400 -0.119 0.000 2.561 544 D HA 0.025 4.665 4.640 0.000 0.000 0.232 544 D C 1.640 177.932 176.300 -0.014 0.000 1.198 544 D CA -0.044 53.922 54.000 -0.057 0.000 0.826 544 D CB 0.552 41.313 40.800 -0.065 0.000 0.992 544 D HN 0.352 nan 8.370 nan 0.000 0.490 545 V N 0.234 120.165 119.914 0.027 0.000 2.469 545 V HA -0.286 3.834 4.120 0.000 0.000 0.251 545 V C 1.956 178.061 176.094 0.018 0.000 1.064 545 V CA 1.585 63.912 62.300 0.044 0.000 1.066 545 V CB -0.208 31.681 31.823 0.110 0.000 0.667 545 V HN 0.215 nan 8.190 nan 0.000 0.461 546 M N -0.521 119.091 119.600 0.021 0.000 2.086 546 M HA -0.188 4.292 4.480 0.000 0.000 0.261 546 M C 2.334 178.607 176.300 -0.046 0.000 1.067 546 M CA 2.502 57.783 55.300 -0.032 0.000 1.116 546 M CB -0.502 32.082 32.600 -0.028 0.000 1.348 546 M HN 0.242 nan 8.290 nan 0.000 0.407 547 K N 0.295 120.669 120.400 -0.044 0.000 2.057 547 K HA -0.120 4.200 4.320 0.000 0.000 0.206 547 K C 2.031 178.606 176.600 -0.041 0.000 1.050 547 K CA 1.230 57.486 56.287 -0.053 0.000 0.935 547 K CB 0.071 32.536 32.500 -0.058 0.000 0.715 547 K HN 0.259 nan 8.250 nan 0.000 0.439 548 R N 0.136 120.618 120.500 -0.031 0.000 2.115 548 R HA -0.098 4.242 4.340 0.000 0.000 0.230 548 R C 2.191 178.476 176.300 -0.024 0.000 1.111 548 R CA 0.727 56.812 56.100 -0.024 0.000 0.976 548 R CB -0.217 30.073 30.300 -0.016 0.000 0.870 548 R HN 0.122 nan 8.270 nan 0.000 0.445 549 L N 1.417 122.623 121.223 -0.029 0.000 2.027 549 L HA -0.146 4.194 4.340 0.000 0.000 0.206 549 L C 2.103 178.950 176.870 -0.039 0.000 1.074 549 L CA 1.767 56.587 54.840 -0.034 0.000 0.745 549 L CB -0.494 41.536 42.059 -0.048 0.000 0.898 549 L HN 0.028 nan 8.230 nan 0.000 0.433 550 K N -1.035 119.336 120.400 -0.048 0.000 2.057 550 K HA -0.115 4.205 4.320 0.000 0.000 0.207 550 K C 2.082 178.661 176.600 -0.035 0.000 1.049 550 K CA 1.266 57.523 56.287 -0.049 0.000 0.931 550 K CB -0.251 32.213 32.500 -0.060 0.000 0.714 550 K HN 0.319 nan 8.250 nan 0.000 0.440 551 A N 1.953 124.754 122.820 -0.031 0.000 1.877 551 A HA -0.163 4.157 4.320 0.000 0.000 0.216 551 A C 2.059 179.635 177.584 -0.014 0.000 1.186 551 A CA 1.067 53.090 52.037 -0.023 0.000 0.620 551 A CB -0.613 18.372 19.000 -0.024 0.000 0.822 551 A HN 0.223 nan 8.150 nan 0.000 0.443 552 L N 0.071 121.285 121.223 -0.014 0.000 2.083 552 L HA -0.181 4.159 4.340 0.000 0.000 0.209 552 L C 2.280 179.151 176.870 0.001 0.000 1.083 552 L CA 2.670 57.506 54.840 -0.007 0.000 0.752 552 L CB -0.892 41.162 42.059 -0.008 0.000 0.899 552 L HN 0.591 nan 8.230 nan 0.000 0.433 553 K N -0.124 120.274 120.400 -0.003 0.000 2.032 553 K HA -0.180 4.140 4.320 0.000 0.000 0.209 553 K C 2.096 178.721 176.600 0.041 0.000 1.048 553 K CA 2.007 58.299 56.287 0.009 0.000 0.927 553 K CB -0.019 32.469 32.500 -0.020 0.000 0.712 553 K HN 0.519 nan 8.250 nan 0.000 0.441 554 S N 0.460 116.175 115.700 0.025 0.000 2.442 554 S HA -0.115 4.355 4.470 0.000 0.000 0.236 554 S C 1.935 176.563 174.600 0.047 0.000 1.007 554 S CA 1.046 59.274 58.200 0.047 0.000 0.965 554 S CB -0.392 62.818 63.200 0.017 0.000 0.773 554 S HN 0.343 nan 8.310 nan 0.000 0.504 555 I N 0.716 121.301 120.570 0.025 0.000 2.584 555 I HA -0.023 4.147 4.170 0.000 0.000 0.255 555 I C 2.515 178.639 176.117 0.012 0.000 1.145 555 I CA 0.672 61.978 61.300 0.010 0.000 1.462 555 I CB -0.108 37.892 38.000 0.000 0.000 1.102 555 I HN 0.254 nan 8.210 nan 0.000 0.433 556 Q N -0.463 119.355 119.800 0.029 0.000 2.354 556 Q HA -0.035 4.305 4.340 0.000 0.000 0.203 556 Q C 0.523 176.550 176.000 0.044 0.000 0.933 556 Q CA 0.558 56.377 55.803 0.027 0.000 0.901 556 Q CB -0.302 28.453 28.738 0.027 0.000 1.007 556 Q HN 0.473 nan 8.270 nan 0.000 0.495 557 H N 1.426 120.487 119.070 -0.015 0.000 2.782 557 H HA 0.326 4.882 4.556 0.000 0.000 0.285 557 H C -0.373 174.946 175.328 -0.015 0.000 1.093 557 H CA 0.027 56.068 56.048 -0.013 0.000 1.410 557 H CB 0.219 29.974 29.762 -0.012 0.000 1.439 557 H HN -0.099 nan 8.280 nan 0.000 0.469 558 R N 0.000 120.235 120.500 -0.442 0.000 2.786 558 R HA 0.000 4.340 4.340 0.000 0.000 0.208 558 R CA 0.000 55.907 56.100 -0.321 0.000 0.921 558 R CB 0.000 30.207 30.300 -0.155 0.000 0.687 558 R HN 0.000 nan 8.270 nan 0.000 0.535