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 2c70_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.517 175.510 0.012 0.000 1.280 3 N CA 0.000 52.957 53.050 -0.155 0.000 0.885 3 N CB 0.000 38.423 38.487 -0.107 0.000 1.341 4 K N 1.641 122.057 120.400 0.027 0.000 2.156 4 K HA 0.604 4.924 4.320 -0.000 0.000 0.271 4 K C 0.181 176.820 176.600 0.065 0.000 0.995 4 K CA -0.399 55.915 56.287 0.045 0.000 0.890 4 K CB 1.768 34.280 32.500 0.020 0.000 1.073 4 K HN 0.689 nan 8.250 nan 0.000 0.454 5 C N -1.216 118.126 119.300 0.070 0.000 3.293 5 C HA 0.413 4.873 4.460 -0.000 0.000 0.362 5 C C 0.715 175.740 174.990 0.059 0.000 1.539 5 C CA -0.761 58.298 59.018 0.068 0.000 1.201 5 C CB 0.918 28.709 27.740 0.085 0.000 1.770 5 C HN 0.785 nan 8.230 nan 0.000 0.440 6 D N 0.322 120.761 120.400 0.063 0.000 2.120 6 D HA 0.126 4.766 4.640 -0.000 0.000 0.202 6 D C 0.356 176.723 176.300 0.112 0.000 0.972 6 D CA 1.675 55.724 54.000 0.081 0.000 0.837 6 D CB 0.192 41.037 40.800 0.075 0.000 0.989 6 D HN 0.493 nan 8.370 nan 0.000 0.469 7 V N 1.482 121.449 119.914 0.089 0.000 2.623 7 V HA 0.235 4.355 4.120 -0.000 0.000 0.304 7 V C -0.141 175.983 176.094 0.050 0.000 1.054 7 V CA -0.869 61.484 62.300 0.090 0.000 0.882 7 V CB 2.760 34.623 31.823 0.066 0.000 1.002 7 V HN -0.242 nan 8.190 nan 0.000 0.424 8 V N 5.308 125.247 119.914 0.042 0.000 2.432 8 V HA 0.357 4.477 4.120 -0.000 0.000 0.275 8 V C 0.018 176.105 176.094 -0.013 0.000 1.043 8 V CA -0.335 61.960 62.300 -0.008 0.000 0.925 8 V CB 1.748 33.560 31.823 -0.018 0.000 0.985 8 V HN 0.639 nan 8.190 nan 0.000 0.466 9 V N 6.337 126.229 119.914 -0.036 0.000 2.370 9 V HA 0.308 4.428 4.120 -0.000 0.000 0.279 9 V C 0.024 176.093 176.094 -0.043 0.000 1.029 9 V CA -0.565 61.720 62.300 -0.026 0.000 0.870 9 V CB 1.722 33.532 31.823 -0.021 0.000 0.984 9 V HN 0.604 nan 8.190 nan 0.000 0.451 10 V N 4.666 124.568 119.914 -0.019 0.000 2.368 10 V HA 0.793 4.913 4.120 -0.000 0.000 0.266 10 V C 0.708 176.808 176.094 0.010 0.000 1.045 10 V CA 0.441 62.732 62.300 -0.015 0.000 0.899 10 V CB 0.404 32.235 31.823 0.013 0.000 1.006 10 V HN 1.260 nan 8.190 nan 0.000 0.470 11 G N 3.621 112.415 108.800 -0.011 0.000 3.367 11 G HA2 0.192 4.152 3.960 -0.000 0.000 0.686 11 G HA3 0.192 4.152 3.960 -0.000 0.000 0.686 11 G C 0.050 174.953 174.900 0.005 0.000 1.146 11 G CA -0.520 44.586 45.100 0.010 0.000 0.913 11 G HN 1.207 nan 8.290 nan 0.000 0.554 12 G N 0.802 109.602 108.800 0.001 0.000 4.125 12 G HA2 0.684 4.644 3.960 -0.000 0.000 0.301 12 G HA3 0.684 4.644 3.960 -0.000 0.000 0.301 12 G C 0.854 175.770 174.900 0.027 0.000 1.273 12 G CA 0.910 46.011 45.100 0.002 0.000 1.095 12 G HN 1.271 nan 8.290 nan 0.000 0.582 13 G N -0.155 108.673 108.800 0.047 0.000 2.525 13 G HA2 0.364 4.324 3.960 -0.000 0.000 0.287 13 G HA3 0.364 4.324 3.960 -0.000 0.000 0.287 13 G C 1.184 176.113 174.900 0.048 0.000 1.350 13 G CA -0.789 44.349 45.100 0.063 0.000 1.039 13 G HN 0.140 nan 8.290 nan 0.000 0.513 14 I N -0.513 120.088 120.570 0.052 0.000 2.264 14 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 14 I C 2.999 179.141 176.117 0.042 0.000 1.111 14 I CA 1.639 62.962 61.300 0.039 0.000 1.382 14 I CB -0.068 37.959 38.000 0.045 0.000 1.060 14 I HN 0.465 nan 8.210 nan 0.000 0.418 15 S N 0.472 116.209 115.700 0.062 0.000 2.345 15 S HA -0.104 4.366 4.470 -0.000 0.000 0.220 15 S C 2.127 176.755 174.600 0.046 0.000 1.031 15 S CA 1.520 59.760 58.200 0.066 0.000 0.996 15 S CB -0.606 62.653 63.200 0.097 0.000 0.882 15 S HN 0.556 nan 8.310 nan 0.000 0.445 16 G N 1.796 110.622 108.800 0.045 0.000 2.446 16 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 16 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 16 G C 1.468 176.372 174.900 0.007 0.000 1.168 16 G CA 1.074 46.189 45.100 0.025 0.000 0.771 16 G HN 0.398 nan 8.290 nan 0.000 0.551 17 M N 1.219 120.821 119.600 0.004 0.000 2.117 17 M HA 0.038 4.518 4.480 -0.000 0.000 0.262 17 M C 3.019 179.312 176.300 -0.011 0.000 1.065 17 M CA 1.306 56.600 55.300 -0.011 0.000 1.114 17 M CB -1.369 31.222 32.600 -0.014 0.000 1.361 17 M HN 0.320 nan 8.290 nan 0.000 0.408 18 A N 0.215 123.035 122.820 -0.001 0.000 1.902 18 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 18 A C 2.461 180.043 177.584 -0.002 0.000 1.181 18 A CA 2.140 54.176 52.037 -0.000 0.000 0.623 18 A CB -0.894 18.112 19.000 0.010 0.000 0.818 18 A HN 0.475 nan 8.150 nan 0.000 0.443 19 A N -0.041 122.778 122.820 -0.002 0.000 1.858 19 A HA 0.156 4.476 4.320 -0.000 0.000 0.216 19 A C 2.555 180.133 177.584 -0.009 0.000 1.190 19 A CA 2.233 54.263 52.037 -0.012 0.000 0.617 19 A CB -1.192 17.802 19.000 -0.010 0.000 0.827 19 A HN 1.090 nan 8.150 nan 0.000 0.443 20 A N -0.176 122.641 122.820 -0.006 0.000 1.883 20 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 20 A C 2.153 179.751 177.584 0.023 0.000 1.186 20 A CA 2.248 54.285 52.037 0.000 0.000 0.624 20 A CB -0.571 18.417 19.000 -0.020 0.000 0.822 20 A HN 0.583 nan 8.150 nan 0.000 0.444 21 K N -0.524 119.880 120.400 0.007 0.000 2.044 21 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 21 K C 2.022 178.662 176.600 0.066 0.000 1.049 21 K CA 1.734 58.040 56.287 0.031 0.000 0.927 21 K CB -0.361 32.141 32.500 0.003 0.000 0.713 21 K HN 0.457 nan 8.250 nan 0.000 0.443 22 L N 1.115 122.354 121.223 0.026 0.000 1.989 22 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 22 L C 2.263 179.140 176.870 0.011 0.000 1.071 22 L CA 1.325 56.171 54.840 0.010 0.000 0.749 22 L CB -0.217 41.832 42.059 -0.016 0.000 0.890 22 L HN 0.274 nan 8.230 nan 0.000 0.431 23 L N -1.035 120.194 121.223 0.011 0.000 2.012 23 L HA -0.297 4.043 4.340 -0.000 0.000 0.210 23 L C 2.620 179.510 176.870 0.034 0.000 1.073 23 L CA 1.695 56.537 54.840 0.004 0.000 0.748 23 L CB -0.919 41.138 42.059 -0.002 0.000 0.891 23 L HN 0.437 nan 8.230 nan 0.000 0.431 24 H N 0.308 119.365 119.070 -0.022 0.000 2.319 24 H HA -0.211 4.345 4.556 -0.000 0.000 0.299 24 H C 1.828 177.147 175.328 -0.015 0.000 1.092 24 H CA 2.156 58.195 56.048 -0.015 0.000 1.302 24 H CB -0.026 29.727 29.762 -0.014 0.000 1.373 24 H HN 0.232 nan 8.280 nan 0.000 0.497 25 D N -0.532 119.869 120.400 0.001 0.000 2.218 25 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 25 D C 1.978 178.228 176.300 -0.084 0.000 0.976 25 D CA 1.251 55.219 54.000 -0.053 0.000 0.853 25 D CB -0.258 40.553 40.800 0.019 0.000 0.939 25 D HN 0.336 nan 8.370 nan 0.000 0.481 26 S N -1.209 114.452 115.700 -0.065 0.000 2.562 26 S HA 0.212 4.682 4.470 -0.000 0.000 0.221 26 S C 1.597 176.153 174.600 -0.074 0.000 0.975 26 S CA 0.682 58.847 58.200 -0.059 0.000 0.918 26 S CB 0.541 63.714 63.200 -0.046 0.000 0.772 26 S HN 0.466 nan 8.310 nan 0.000 0.531 27 G N 0.838 109.569 108.800 -0.116 0.000 2.159 27 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.227 27 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.227 27 G C -0.018 174.837 174.900 -0.075 0.000 0.986 27 G CA -0.293 44.737 45.100 -0.117 0.000 0.651 27 G HN 0.410 nan 8.290 nan 0.000 0.523 28 L N 0.568 121.761 121.223 -0.049 0.000 2.439 28 L HA 0.406 4.746 4.340 -0.000 0.000 0.261 28 L C 0.224 177.106 176.870 0.019 0.000 1.153 28 L CA -0.981 53.854 54.840 -0.008 0.000 0.808 28 L CB 0.523 42.584 42.059 0.004 0.000 1.126 28 L HN 0.026 nan 8.230 nan 0.000 0.460 29 N N 1.917 120.640 118.700 0.038 0.000 2.406 29 N HA 0.277 5.017 4.740 -0.000 0.000 0.251 29 N C -0.682 174.869 175.510 0.069 0.000 1.069 29 N CA -0.114 52.974 53.050 0.063 0.000 0.947 29 N CB 1.684 40.203 38.487 0.054 0.000 1.111 29 N HN 0.353 nan 8.380 nan 0.000 0.497 30 V N 0.129 120.092 119.914 0.081 0.000 2.715 30 V HA 0.723 4.843 4.120 -0.000 0.000 0.310 30 V C -0.120 175.993 176.094 0.033 0.000 1.054 30 V CA -0.718 61.614 62.300 0.054 0.000 0.928 30 V CB 1.924 33.777 31.823 0.050 0.000 1.007 30 V HN 0.164 nan 8.190 nan 0.000 0.437 31 V N 3.974 123.890 119.914 0.003 0.000 2.656 31 V HA 0.552 4.671 4.120 -0.000 0.000 0.307 31 V C -0.326 175.711 176.094 -0.094 0.000 1.051 31 V CA -0.541 61.731 62.300 -0.046 0.000 0.893 31 V CB 2.055 33.844 31.823 -0.056 0.000 0.999 31 V HN 0.835 nan 8.190 nan 0.000 0.426 32 V N 6.108 125.959 119.914 -0.106 0.000 2.370 32 V HA 0.457 4.577 4.120 -0.000 0.000 0.283 32 V C -0.238 175.762 176.094 -0.155 0.000 1.023 32 V CA -0.440 61.796 62.300 -0.106 0.000 0.857 32 V CB 1.482 33.263 31.823 -0.070 0.000 0.985 32 V HN 0.619 nan 8.190 nan 0.000 0.443 33 L N 4.529 125.643 121.223 -0.181 0.000 2.265 33 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 33 L C -0.152 176.640 176.870 -0.129 0.000 1.033 33 L CA -0.356 54.363 54.840 -0.202 0.000 0.814 33 L CB 1.379 43.279 42.059 -0.266 0.000 1.203 33 L HN 0.597 nan 8.230 nan 0.000 0.423 34 E N 2.309 122.437 120.200 -0.120 0.000 2.176 34 E HA 0.484 4.834 4.350 -0.000 0.000 0.267 34 E C 0.332 176.830 176.600 -0.169 0.000 0.893 34 E CA -0.337 55.995 56.400 -0.114 0.000 0.761 34 E CB 2.056 31.710 29.700 -0.077 0.000 1.133 34 E HN 0.557 nan 8.360 nan 0.000 0.409 35 A N 5.414 128.070 122.820 -0.274 0.000 1.933 35 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 35 A C 1.056 178.397 177.584 -0.405 0.000 1.175 35 A CA 1.038 52.770 52.037 -0.507 0.000 0.628 35 A CB -0.178 18.112 19.000 -1.183 0.000 0.814 35 A HN 0.595 nan 8.150 nan 0.000 0.444 36 R N -0.110 120.236 120.500 -0.257 0.000 2.546 36 R HA 0.258 4.598 4.340 -0.000 0.000 0.266 36 R C 0.081 176.337 176.300 -0.073 0.000 1.086 36 R CA 0.106 56.133 56.100 -0.122 0.000 1.160 36 R CB 0.220 30.488 30.300 -0.053 0.000 1.138 36 R HN 0.439 nan 8.270 nan 0.000 0.567 37 D N 0.521 120.895 120.400 -0.042 0.000 2.323 37 D HA -0.041 4.599 4.640 -0.000 0.000 0.239 37 D C -0.115 176.182 176.300 -0.006 0.000 1.129 37 D CA 0.127 54.113 54.000 -0.023 0.000 0.865 37 D CB -0.079 40.712 40.800 -0.014 0.000 0.913 37 D HN 0.432 nan 8.370 nan 0.000 0.517 38 R N -1.349 119.149 120.500 -0.003 0.000 2.734 38 R HA 0.578 4.918 4.340 -0.000 0.000 0.271 38 R C -0.733 175.585 176.300 0.029 0.000 1.021 38 R CA -1.121 54.996 56.100 0.029 0.000 0.893 38 R CB 1.151 31.491 30.300 0.067 0.000 1.244 38 R HN -0.093 nan 8.270 nan 0.000 0.464 39 V N -1.518 118.423 119.914 0.045 0.000 3.234 39 V HA 0.866 4.986 4.120 -0.000 0.000 0.317 39 V C 0.924 177.073 176.094 0.092 0.000 1.081 39 V CA 0.463 62.791 62.300 0.046 0.000 1.037 39 V CB 0.792 32.627 31.823 0.021 0.000 1.148 39 V HN 1.201 nan 8.190 nan 0.000 0.453 40 G N -0.731 108.124 108.800 0.091 0.000 2.376 40 G HA2 0.163 4.123 3.960 -0.000 0.000 0.208 40 G HA3 0.163 4.123 3.960 -0.000 0.000 0.208 40 G C 1.640 176.632 174.900 0.154 0.000 1.032 40 G CA 0.775 45.951 45.100 0.127 0.000 0.641 40 G HN 2.651 nan 8.290 nan 0.000 0.503 41 G N 0.566 109.470 108.800 0.173 0.000 2.602 41 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.310 41 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.310 41 G C 0.929 176.001 174.900 0.287 0.000 1.183 41 G CA 1.441 46.661 45.100 0.200 0.000 0.979 41 G HN 1.192 nan 8.290 nan 0.000 0.545 42 R N 1.813 122.390 120.500 0.129 0.000 2.323 42 R HA 0.218 4.558 4.340 -0.000 0.000 0.198 42 R C 1.147 177.345 176.300 -0.170 0.000 0.988 42 R CA 1.061 57.058 56.100 -0.171 0.000 1.041 42 R CB -0.172 29.989 30.300 -0.232 0.000 0.926 42 R HN 0.718 nan 8.270 nan 0.000 0.476 43 T N -2.345 112.265 114.554 0.093 0.000 2.867 43 T HA 0.338 4.688 4.350 -0.000 0.000 0.282 43 T C -0.915 174.019 174.700 0.391 0.000 1.000 43 T CA -0.598 61.607 62.100 0.175 0.000 1.042 43 T CB 1.535 70.473 68.868 0.116 0.000 0.973 43 T HN 0.105 nan 8.240 nan 0.000 0.465 44 Y N 1.291 121.747 120.300 0.260 0.000 2.287 44 Y HA 0.413 4.963 4.550 -0.000 0.000 0.321 44 Y C -1.169 174.847 175.900 0.193 0.000 1.173 44 Y CA -0.865 57.386 58.100 0.251 0.000 1.124 44 Y CB 1.469 40.137 38.460 0.347 0.000 1.201 44 Y HN 0.881 nan 8.280 nan 0.000 0.421 45 T N 7.778 122.168 114.554 -0.274 0.000 2.770 45 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 45 T C -0.758 173.626 174.700 -0.527 0.000 0.997 45 T CA -0.389 61.545 62.100 -0.277 0.000 0.949 45 T CB 0.548 69.367 68.868 -0.082 0.000 0.941 45 T HN 0.578 nan 8.240 nan 0.000 0.457 46 L N 4.474 125.397 121.223 -0.501 0.000 2.326 46 L HA 0.620 4.960 4.340 -0.000 0.000 0.278 46 L C -0.279 176.520 176.870 -0.118 0.000 1.092 46 L CA -0.101 54.526 54.840 -0.355 0.000 0.810 46 L CB 0.449 42.379 42.059 -0.214 0.000 1.153 46 L HN 0.431 nan 8.230 nan 0.000 0.439 47 R N 3.592 124.048 120.500 -0.074 0.000 2.437 47 R HA 0.628 4.968 4.340 -0.000 0.000 0.310 47 R C -1.064 175.215 176.300 -0.035 0.000 0.955 47 R CA -0.586 55.495 56.100 -0.031 0.000 0.851 47 R CB 1.288 31.581 30.300 -0.012 0.000 1.161 47 R HN 0.886 nan 8.270 nan 0.000 0.446 48 N N -1.185 117.478 118.700 -0.062 0.000 3.020 48 N HA 0.048 4.788 4.740 -0.000 0.000 0.248 48 N C -0.139 175.310 175.510 -0.101 0.000 1.480 48 N CA -0.956 52.054 53.050 -0.067 0.000 0.874 48 N CB 0.694 39.147 38.487 -0.058 0.000 1.433 48 N HN 0.317 nan 8.380 nan 0.000 0.530 49 Q N -0.251 119.498 119.800 -0.085 0.000 2.167 49 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 49 Q C 0.547 176.501 176.000 -0.077 0.000 0.970 49 Q CA 1.277 57.045 55.803 -0.059 0.000 0.855 49 Q CB 0.041 28.756 28.738 -0.037 0.000 0.911 49 Q HN 0.532 nan 8.270 nan 0.000 0.438 50 K N 0.158 120.421 120.400 -0.229 0.000 2.057 50 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 50 K C 2.078 178.481 176.600 -0.329 0.000 1.050 50 K CA 1.530 57.580 56.287 -0.395 0.000 0.935 50 K CB -0.191 31.714 32.500 -0.992 0.000 0.715 50 K HN 0.340 nan 8.250 nan 0.000 0.439 51 V N -2.457 117.210 119.914 -0.411 0.000 3.565 51 V HA 0.189 4.309 4.120 -0.000 0.000 0.260 51 V C 1.496 177.181 176.094 -0.681 0.000 1.231 51 V CA 0.837 62.850 62.300 -0.478 0.000 1.100 51 V CB 0.069 31.650 31.823 -0.402 0.000 0.807 51 V HN 0.329 nan 8.190 nan 0.000 0.454 52 K N 0.473 120.549 120.400 -0.541 0.000 10.883 52 K HA -0.301 4.019 4.320 -0.000 0.000 0.526 52 K C 0.132 176.626 176.600 -0.177 0.000 0.382 52 K CA 2.402 58.415 56.287 -0.456 0.000 1.943 52 K CB -1.482 30.519 32.500 -0.831 0.000 0.766 52 K HN 0.935 nan 8.250 nan 0.000 1.214 53 Y N -1.788 118.360 120.300 -0.253 0.000 2.571 53 Y HA 0.740 5.290 4.550 -0.000 0.000 0.341 53 Y C -1.205 174.654 175.900 -0.068 0.000 1.076 53 Y CA -0.760 57.258 58.100 -0.138 0.000 1.029 53 Y CB 2.062 40.460 38.460 -0.102 0.000 1.308 53 Y HN 0.018 nan 8.280 nan 0.000 0.461 54 V N 2.278 122.247 119.914 0.091 0.000 2.851 54 V HA 0.383 4.503 4.120 -0.000 0.000 0.307 54 V C -1.575 174.577 176.094 0.097 0.000 1.129 54 V CA -0.643 61.716 62.300 0.099 0.000 0.932 54 V CB 2.004 33.909 31.823 0.136 0.000 1.024 54 V HN 0.915 nan 8.190 nan 0.000 0.426 55 D N 5.569 126.037 120.400 0.114 0.000 2.339 55 D HA 0.295 4.935 4.640 -0.000 0.000 0.256 55 D C 0.846 177.227 176.300 0.135 0.000 1.214 55 D CA 0.233 54.288 54.000 0.091 0.000 0.877 55 D CB 1.754 42.577 40.800 0.038 0.000 1.111 55 D HN 0.509 nan 8.370 nan 0.000 0.478 56 L N 1.457 122.813 121.223 0.222 0.000 2.554 56 L HA 0.217 4.557 4.340 -0.000 0.000 0.225 56 L C 1.519 178.778 176.870 0.649 0.000 1.104 56 L CA 0.059 55.132 54.840 0.388 0.000 0.866 56 L CB 0.330 42.637 42.059 0.412 0.000 1.047 56 L HN 0.325 nan 8.230 nan 0.000 0.468 57 G N -0.792 108.310 108.800 0.504 0.000 3.175 57 G HA2 0.430 4.390 3.960 -0.000 0.000 0.153 57 G HA3 0.430 4.390 3.960 -0.000 0.000 0.153 57 G C -0.169 174.743 174.900 0.021 0.000 1.216 57 G CA -0.077 45.140 45.100 0.195 0.000 0.943 57 G HN 0.078 nan 8.290 nan 0.000 0.611 58 G N -0.740 108.002 108.800 -0.096 0.000 2.321 58 G HA2 0.364 4.324 3.960 -0.000 0.000 0.237 58 G HA3 0.364 4.324 3.960 -0.000 0.000 0.237 58 G C 0.530 175.391 174.900 -0.066 0.000 1.282 58 G CA 0.923 45.971 45.100 -0.088 0.000 0.886 58 G HN 0.821 nan 8.290 nan 0.000 0.528 59 S N 1.308 116.902 115.700 -0.178 0.000 3.330 59 S HA 0.200 4.670 4.470 -0.000 0.000 0.259 59 S C 0.128 174.479 174.600 -0.415 0.000 1.095 59 S CA -0.323 57.675 58.200 -0.338 0.000 0.841 59 S CB -0.008 62.816 63.200 -0.627 0.000 0.890 59 S HN 0.497 nan 8.310 nan 0.000 0.446 60 Y N 2.730 122.984 120.300 -0.076 0.000 2.309 60 Y HA 0.542 5.092 4.550 -0.000 0.000 0.327 60 Y C 0.273 176.040 175.900 -0.223 0.000 1.172 60 Y CA -0.425 57.581 58.100 -0.157 0.000 1.280 60 Y CB 1.190 39.601 38.460 -0.082 0.000 1.234 60 Y HN 0.130 nan 8.280 nan 0.000 0.512 61 V N -0.451 119.345 119.914 -0.197 0.000 3.078 61 V HA 1.096 5.216 4.120 -0.000 0.000 0.311 61 V C -0.382 175.524 176.094 -0.314 0.000 1.138 61 V CA -0.559 61.548 62.300 -0.322 0.000 1.007 61 V CB 1.698 33.262 31.823 -0.432 0.000 1.045 61 V HN 0.956 nan 8.190 nan 0.000 0.432 62 G N 0.340 108.913 108.800 -0.379 0.000 2.600 62 G HA2 0.730 4.690 3.960 -0.000 0.000 0.293 62 G HA3 0.730 4.690 3.960 -0.000 0.000 0.293 62 G C -3.428 171.313 174.900 -0.264 0.000 1.408 62 G CA -1.217 43.710 45.100 -0.288 0.000 0.782 62 G HN 0.727 nan 8.290 nan 0.000 0.482 63 P HA 0.076 nan 4.420 nan 0.000 0.264 63 P C 0.826 178.105 177.300 -0.035 0.000 1.179 63 P CA 2.044 65.100 63.100 -0.073 0.000 0.763 63 P CB 0.779 32.464 31.700 -0.025 0.000 0.806 64 T N -1.475 113.088 114.554 0.015 0.000 7.013 64 T HA -0.252 4.098 4.350 -0.000 0.000 0.288 64 T C 0.266 174.987 174.700 0.035 0.000 2.146 64 T CA 1.040 63.223 62.100 0.138 0.000 3.498 64 T CB -2.672 66.403 68.868 0.345 0.000 1.517 64 T HN 0.596 nan 8.240 nan 0.000 1.113 65 Q N 1.345 120.990 119.800 -0.260 0.000 3.207 65 Q HA 0.361 4.701 4.340 -0.000 0.000 0.335 65 Q C 0.915 176.816 176.000 -0.164 0.000 1.374 65 Q CA -0.449 55.105 55.803 -0.415 0.000 1.023 65 Q CB 0.167 28.470 28.738 -0.725 0.000 1.576 65 Q HN 0.510 nan 8.270 nan 0.000 0.515 66 N N 0.853 119.526 118.700 -0.044 0.000 2.331 66 N HA -0.072 4.668 4.740 -0.000 0.000 0.180 66 N C 1.250 176.769 175.510 0.015 0.000 1.019 66 N CA 0.818 53.869 53.050 0.002 0.000 0.881 66 N CB 0.264 38.776 38.487 0.041 0.000 0.972 66 N HN 0.382 nan 8.380 nan 0.000 0.435 67 R N 0.498 121.009 120.500 0.020 0.000 2.057 67 R HA 0.026 4.366 4.340 -0.000 0.000 0.229 67 R C 2.073 178.389 176.300 0.027 0.000 1.136 67 R CA 0.652 56.772 56.100 0.033 0.000 0.952 67 R CB -0.361 29.970 30.300 0.052 0.000 0.848 67 R HN 0.072 nan 8.270 nan 0.000 0.430 68 I N 1.343 121.925 120.570 0.019 0.000 2.286 68 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 68 I C 1.834 178.019 176.117 0.114 0.000 1.115 68 I CA 1.436 62.772 61.300 0.059 0.000 1.392 68 I CB -0.122 37.921 38.000 0.071 0.000 1.065 68 I HN 0.114 nan 8.210 nan 0.000 0.418 69 L N 0.102 121.376 121.223 0.085 0.000 2.046 69 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 69 L C 2.770 179.685 176.870 0.076 0.000 1.077 69 L CA 1.509 56.415 54.840 0.110 0.000 0.747 69 L CB -0.881 41.198 42.059 0.033 0.000 0.896 69 L HN 0.270 nan 8.230 nan 0.000 0.432 70 R N 0.668 121.193 120.500 0.041 0.000 2.066 70 R HA -0.187 4.153 4.340 -0.000 0.000 0.232 70 R C 2.318 178.625 176.300 0.012 0.000 1.131 70 R CA 1.649 57.764 56.100 0.026 0.000 0.955 70 R CB -0.607 29.707 30.300 0.023 0.000 0.851 70 R HN 0.235 nan 8.270 nan 0.000 0.432 71 L N 1.197 122.423 121.223 0.005 0.000 2.012 71 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 71 L C 2.441 179.274 176.870 -0.061 0.000 1.073 71 L CA 2.379 57.206 54.840 -0.021 0.000 0.748 71 L CB -0.954 41.092 42.059 -0.020 0.000 0.891 71 L HN 0.250 nan 8.230 nan 0.000 0.431 72 A N -0.659 122.108 122.820 -0.087 0.000 1.877 72 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 72 A C 2.473 179.991 177.584 -0.110 0.000 1.186 72 A CA 2.052 53.962 52.037 -0.212 0.000 0.620 72 A CB -0.689 18.064 19.000 -0.413 0.000 0.822 72 A HN 0.522 nan 8.150 nan 0.000 0.443 73 K N -0.346 120.044 120.400 -0.017 0.000 2.032 73 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 73 K C 2.083 178.674 176.600 -0.016 0.000 1.048 73 K CA 1.776 58.066 56.287 0.004 0.000 0.927 73 K CB -0.203 32.314 32.500 0.029 0.000 0.712 73 K HN 0.627 nan 8.250 nan 0.000 0.441 74 E N 0.451 120.640 120.200 -0.019 0.000 2.160 74 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 74 E C 1.677 178.257 176.600 -0.033 0.000 0.991 74 E CA 0.935 57.323 56.400 -0.020 0.000 0.810 74 E CB 0.010 29.701 29.700 -0.015 0.000 0.742 74 E HN 0.358 nan 8.360 nan 0.000 0.466 75 L N -0.742 120.446 121.223 -0.058 0.000 2.599 75 L HA 0.145 4.485 4.340 -0.000 0.000 0.230 75 L C 1.384 178.211 176.870 -0.071 0.000 1.141 75 L CA 0.471 55.268 54.840 -0.072 0.000 0.877 75 L CB 0.173 42.168 42.059 -0.107 0.000 1.009 75 L HN 0.369 nan 8.230 nan 0.000 0.447 76 G N 0.102 108.869 108.800 -0.055 0.000 2.131 76 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 76 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 76 G C 0.095 174.968 174.900 -0.045 0.000 0.990 76 G CA -0.361 44.715 45.100 -0.040 0.000 0.671 76 G HN 0.194 nan 8.290 nan 0.000 0.521 77 L N -0.059 121.122 121.223 -0.069 0.000 2.379 77 L HA 0.734 5.074 4.340 -0.000 0.000 0.269 77 L C 0.618 177.521 176.870 0.054 0.000 1.084 77 L CA -0.643 54.162 54.840 -0.059 0.000 0.802 77 L CB 1.092 43.010 42.059 -0.234 0.000 1.175 77 L HN 0.164 nan 8.230 nan 0.000 0.448 78 E N -0.088 120.190 120.200 0.130 0.000 2.336 78 E HA 0.437 4.787 4.350 -0.000 0.000 0.267 78 E C -0.981 175.782 176.600 0.271 0.000 0.906 78 E CA -0.669 55.833 56.400 0.171 0.000 0.781 78 E CB 2.552 32.322 29.700 0.115 0.000 1.261 78 E HN 0.672 nan 8.360 nan 0.000 0.436 79 T N -1.234 113.430 114.554 0.183 0.000 2.952 79 T HA 0.629 4.979 4.350 -0.000 0.000 0.286 79 T C -0.696 174.093 174.700 0.149 0.000 1.024 79 T CA -0.656 61.486 62.100 0.069 0.000 1.029 79 T CB 0.713 69.506 68.868 -0.125 0.000 1.094 79 T HN 0.519 nan 8.240 nan 0.000 0.515 80 Y N -1.452 118.849 120.300 0.000 0.000 2.609 80 Y HA 0.721 5.271 4.550 0.000 0.000 0.342 80 Y C -0.797 175.105 175.900 0.004 0.000 1.058 80 Y CA -1.545 56.565 58.100 0.018 0.000 1.055 80 Y CB 1.415 39.907 38.460 0.052 0.000 1.292 80 Y HN 0.620 nan 8.280 nan 0.000 0.476 81 K N 2.307 122.759 120.400 0.087 0.000 2.297 81 K HA 0.418 4.738 4.320 -0.000 0.000 0.286 81 K C -0.808 175.815 176.600 0.038 0.000 1.053 81 K CA -0.747 55.537 56.287 -0.006 0.000 0.940 81 K CB 1.602 34.127 32.500 0.042 0.000 1.019 81 K HN 0.582 nan 8.250 nan 0.000 0.475 82 V N 3.283 123.159 119.914 -0.063 0.000 2.694 82 V HA -0.119 4.001 4.120 -0.000 0.000 0.306 82 V C 0.606 176.730 176.094 0.050 0.000 1.054 82 V CA -0.116 62.195 62.300 0.018 0.000 1.161 82 V CB 0.231 32.038 31.823 -0.026 0.000 0.916 82 V HN 0.732 nan 8.190 nan 0.000 0.490 83 N N 3.849 122.606 118.700 0.096 0.000 2.438 83 N HA 0.015 4.755 4.740 -0.000 0.000 0.267 83 N C 0.265 175.791 175.510 0.026 0.000 1.222 83 N CA 0.498 53.597 53.050 0.081 0.000 0.930 83 N CB 0.266 38.830 38.487 0.129 0.000 1.083 83 N HN 0.822 nan 8.380 nan 0.000 0.476 84 E N 2.953 123.159 120.200 0.010 0.000 3.191 84 E HA 0.112 4.462 4.350 -0.000 0.000 0.192 84 E C 0.326 176.920 176.600 -0.010 0.000 0.972 84 E CA -0.065 56.323 56.400 -0.020 0.000 1.266 84 E CB 0.282 29.955 29.700 -0.046 0.000 1.076 84 E HN 0.448 nan 8.360 nan 0.000 0.462 85 V N 0.519 120.440 119.914 0.012 0.000 2.307 85 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 85 V C 0.980 177.078 176.094 0.008 0.000 1.045 85 V CA 1.614 63.921 62.300 0.011 0.000 1.024 85 V CB -0.125 31.707 31.823 0.015 0.000 0.651 85 V HN 0.253 nan 8.190 nan 0.000 0.449 86 E N -0.632 119.580 120.200 0.020 0.000 3.099 86 E HA 0.390 4.740 4.350 -0.000 0.000 0.259 86 E C 0.199 176.809 176.600 0.016 0.000 1.274 86 E CA -0.610 55.806 56.400 0.027 0.000 1.111 86 E CB 0.218 29.948 29.700 0.051 0.000 1.327 86 E HN 0.308 nan 8.360 nan 0.000 0.652 87 R N 0.218 120.751 120.500 0.054 0.000 2.441 87 R HA 0.314 4.654 4.340 -0.000 0.000 0.284 87 R C -0.491 175.766 176.300 -0.073 0.000 1.070 87 R CA -0.634 55.471 56.100 0.008 0.000 1.047 87 R CB 0.181 30.550 30.300 0.114 0.000 1.016 87 R HN 0.168 nan 8.270 nan 0.000 0.477 88 L N 2.612 123.617 121.223 -0.362 0.000 2.466 88 L HA 0.314 4.654 4.340 -0.000 0.000 0.257 88 L C 0.242 176.882 176.870 -0.383 0.000 1.189 88 L CA 0.397 54.912 54.840 -0.541 0.000 0.813 88 L CB 0.293 41.699 42.059 -1.088 0.000 1.118 88 L HN 0.470 nan 8.230 nan 0.000 0.471 89 I N 0.125 120.619 120.570 -0.126 0.000 2.498 89 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 89 I C -0.617 175.805 176.117 0.507 0.000 1.032 89 I CA -0.462 60.932 61.300 0.157 0.000 1.073 89 I CB 1.579 39.522 38.000 -0.096 0.000 1.251 89 I HN 0.545 nan 8.210 nan 0.000 0.426 90 H N 5.378 124.787 119.070 0.565 0.000 2.541 90 H HA 0.323 4.879 4.556 -0.000 0.000 0.316 90 H C -1.288 174.286 175.328 0.411 0.000 1.043 90 H CA -0.719 55.594 56.048 0.442 0.000 1.232 90 H CB 0.891 30.815 29.762 0.270 0.000 1.406 90 H HN 0.615 nan 8.280 nan 0.000 0.469 91 H N 4.644 123.862 119.070 0.248 0.000 2.597 91 H HA 0.366 4.922 4.556 -0.000 0.000 0.303 91 H C -1.361 173.988 175.328 0.035 0.000 1.057 91 H CA -0.443 55.675 56.048 0.117 0.000 1.261 91 H CB 0.834 30.660 29.762 0.107 0.000 1.397 91 H HN 0.352 nan 8.280 nan 0.000 0.461 92 V N 5.631 125.417 119.914 -0.214 0.000 2.760 92 V HA 0.283 4.403 4.120 -0.000 0.000 0.309 92 V C -0.603 175.434 176.094 -0.096 0.000 1.077 92 V CA -0.925 61.290 62.300 -0.142 0.000 0.910 92 V CB 1.360 33.014 31.823 -0.281 0.000 1.008 92 V HN 1.051 nan 8.190 nan 0.000 0.424 93 K N 5.012 125.388 120.400 -0.039 0.000 3.311 93 K HA -0.214 4.106 4.320 -0.000 0.000 0.270 93 K C 0.950 177.512 176.600 -0.064 0.000 0.927 93 K CA 0.867 57.145 56.287 -0.014 0.000 0.706 93 K CB -1.565 30.944 32.500 0.015 0.000 1.418 93 K HN 1.994 nan 8.250 nan 0.000 0.459 94 G N 0.089 108.808 108.800 -0.135 0.000 2.153 94 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.252 94 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.252 94 G C -0.117 174.615 174.900 -0.279 0.000 0.994 94 G CA 0.928 45.974 45.100 -0.090 0.000 0.698 94 G HN 0.473 nan 8.290 nan 0.000 0.521 95 K N -0.053 119.981 120.400 -0.610 0.000 2.464 95 K HA 0.608 4.928 4.320 -0.000 0.000 0.253 95 K C -0.538 175.690 176.600 -0.620 0.000 0.933 95 K CA -0.533 55.459 56.287 -0.492 0.000 0.801 95 K CB 1.388 33.667 32.500 -0.369 0.000 1.271 95 K HN 0.048 nan 8.250 nan 0.000 0.430 96 S N 2.390 117.882 115.700 -0.346 0.000 2.499 96 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 96 S C -1.397 172.999 174.600 -0.341 0.000 1.219 96 S CA -0.368 57.762 58.200 -0.118 0.000 1.062 96 S CB 0.243 63.484 63.200 0.068 0.000 0.978 96 S HN 0.394 nan 8.310 nan 0.000 0.489 97 Y N 2.705 123.093 120.300 0.147 0.000 2.447 97 Y HA 0.364 4.914 4.550 -0.000 0.000 0.325 97 Y C -2.502 173.604 175.900 0.343 0.000 0.976 97 Y CA -2.469 55.757 58.100 0.211 0.000 1.280 97 Y CB 0.843 39.413 38.460 0.183 0.000 1.104 97 Y HN 0.455 nan 8.280 nan 0.000 0.486 98 P HA 0.276 nan 4.420 nan 0.000 0.275 98 P C -0.875 176.723 177.300 0.496 0.000 1.228 98 P CA -0.073 63.262 63.100 0.392 0.000 0.786 98 P CB 0.649 32.570 31.700 0.369 0.000 0.927 99 F N -1.119 118.961 119.950 0.215 0.000 2.741 99 F HA 0.692 5.219 4.527 0.000 0.000 0.313 99 F C -1.217 174.665 175.800 0.137 0.000 1.153 99 F CA -1.292 56.820 58.000 0.187 0.000 0.931 99 F CB 1.444 40.560 39.000 0.194 0.000 1.335 99 F HN 0.040 nan 8.300 nan 0.000 0.460 100 R N 1.021 121.656 120.500 0.225 0.000 2.807 100 R HA 0.766 5.106 4.340 -0.000 0.000 0.276 100 R C -0.377 176.048 176.300 0.208 0.000 0.979 100 R CA -0.775 55.374 56.100 0.081 0.000 0.928 100 R CB 1.773 32.125 30.300 0.086 0.000 1.191 100 R HN 1.497 nan 8.270 nan 0.000 0.471 101 G N 1.796 110.659 108.800 0.104 0.000 2.712 101 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.683 101 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.683 101 G C -2.033 172.962 174.900 0.159 0.000 1.320 101 G CA -0.766 44.411 45.100 0.129 0.000 0.847 101 G HN 0.446 nan 8.290 nan 0.000 0.553 102 P HA 0.112 nan 4.420 nan 0.000 0.220 102 P C 0.529 177.687 177.300 -0.237 0.000 1.152 102 P CA 1.028 64.028 63.100 -0.167 0.000 0.812 102 P CB 0.117 31.554 31.700 -0.440 0.000 0.792 103 F N 1.339 121.274 119.950 -0.024 0.000 2.420 103 F HA 0.410 4.937 4.527 0.000 0.000 0.342 103 F C -2.006 173.596 175.800 -0.329 0.000 1.113 103 F CA -2.967 54.906 58.000 -0.212 0.000 1.059 103 F CB 0.636 39.425 39.000 -0.352 0.000 1.128 103 F HN -0.264 nan 8.300 nan 0.000 0.475 104 P HA 0.102 nan 4.420 nan 0.000 0.271 104 P C -2.397 174.619 177.300 -0.473 0.000 1.233 104 P CA -0.917 61.515 63.100 -1.113 0.000 0.764 104 P CB -0.129 31.015 31.700 -0.927 0.000 0.825 105 P HA 0.148 nan 4.420 nan 0.000 0.272 105 P C -0.839 176.309 177.300 -0.253 0.000 1.240 105 P CA 0.008 62.959 63.100 -0.249 0.000 0.791 105 P CB 0.755 32.349 31.700 -0.176 0.000 0.978 106 V N 1.082 120.795 119.914 -0.336 0.000 2.686 106 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 106 V C -0.105 175.835 176.094 -0.256 0.000 1.065 106 V CA -0.195 61.946 62.300 -0.264 0.000 0.894 106 V CB 1.913 33.488 31.823 -0.413 0.000 1.004 106 V HN 0.684 nan 8.190 nan 0.000 0.424 107 W N 0.859 122.145 121.300 -0.023 0.000 2.798 107 W HA 0.228 4.888 4.660 -0.000 0.000 0.260 107 W C 1.351 177.867 176.519 -0.004 0.000 1.165 107 W CA -0.066 57.272 57.345 -0.012 0.000 1.501 107 W CB 0.187 29.629 29.460 -0.029 0.000 1.023 107 W HN 0.534 nan 8.180 nan 0.000 0.615 108 N N 3.326 122.150 118.700 0.208 0.000 2.359 108 N HA -0.075 4.665 4.740 -0.000 0.000 0.261 108 N C -1.347 174.236 175.510 0.122 0.000 1.267 108 N CA -0.123 53.006 53.050 0.132 0.000 0.864 108 N CB 1.294 39.839 38.487 0.097 0.000 1.063 108 N HN -0.063 nan 8.380 nan 0.000 0.474 109 P HA -0.111 nan 4.420 nan 0.000 0.217 109 P C 1.616 178.986 177.300 0.116 0.000 1.151 109 P CA 0.718 63.867 63.100 0.082 0.000 0.828 109 P CB 0.412 32.136 31.700 0.040 0.000 0.788 110 I N 0.235 120.860 120.570 0.091 0.000 2.233 110 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 110 I C 2.194 178.376 176.117 0.109 0.000 1.093 110 I CA 1.644 62.992 61.300 0.080 0.000 1.380 110 I CB -2.058 35.981 38.000 0.065 0.000 1.067 110 I HN 0.009 nan 8.210 nan 0.000 0.413 111 T N 0.389 115.019 114.554 0.126 0.000 2.746 111 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 111 T C 1.888 176.685 174.700 0.163 0.000 1.039 111 T CA 1.430 63.627 62.100 0.161 0.000 1.142 111 T CB -0.649 68.291 68.868 0.120 0.000 0.866 111 T HN 0.278 nan 8.240 nan 0.000 0.444 112 Y N 1.820 122.118 120.300 -0.003 0.000 2.128 112 Y HA -0.142 4.408 4.550 -0.000 0.000 0.284 112 Y C 2.072 177.981 175.900 0.015 0.000 1.154 112 Y CA 1.207 59.282 58.100 -0.042 0.000 1.149 112 Y CB -0.497 37.910 38.460 -0.089 0.000 0.976 112 Y HN 0.117 nan 8.280 nan 0.000 0.505 113 L N -0.306 121.019 121.223 0.171 0.000 2.046 113 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 113 L C 2.154 179.021 176.870 -0.004 0.000 1.077 113 L CA 1.830 56.713 54.840 0.071 0.000 0.747 113 L CB -0.623 41.470 42.059 0.056 0.000 0.896 113 L HN 0.245 nan 8.230 nan 0.000 0.432 114 D N -0.962 119.463 120.400 0.042 0.000 2.097 114 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 114 D C 2.194 178.509 176.300 0.024 0.000 0.984 114 D CA 1.185 55.213 54.000 0.046 0.000 0.826 114 D CB 0.059 40.917 40.800 0.096 0.000 0.973 114 D HN 0.278 nan 8.370 nan 0.000 0.460 115 H N -0.104 118.920 119.070 -0.077 0.000 2.319 115 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 115 H C 2.154 177.458 175.328 -0.040 0.000 1.092 115 H CA 1.290 57.299 56.048 -0.065 0.000 1.302 115 H CB -0.235 29.488 29.762 -0.065 0.000 1.373 115 H HN 0.296 nan 8.280 nan 0.000 0.497 116 N N 1.062 119.709 118.700 -0.088 0.000 2.069 116 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 116 N C 1.820 177.283 175.510 -0.079 0.000 1.031 116 N CA 1.016 53.963 53.050 -0.172 0.000 0.852 116 N CB -0.215 38.072 38.487 -0.335 0.000 1.018 116 N HN 0.414 nan 8.380 nan 0.000 0.423 117 N N -0.160 118.502 118.700 -0.064 0.000 2.188 117 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 117 N C 1.895 177.367 175.510 -0.064 0.000 1.018 117 N CA 0.582 53.596 53.050 -0.061 0.000 0.858 117 N CB -0.261 38.201 38.487 -0.042 0.000 0.989 117 N HN 0.225 nan 8.380 nan 0.000 0.426 118 F N 0.862 120.689 119.950 -0.205 0.000 2.046 118 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 118 F C 1.740 177.365 175.800 -0.293 0.000 1.123 118 F CA 1.724 59.534 58.000 -0.317 0.000 1.199 118 F CB -0.944 37.728 39.000 -0.548 0.000 0.972 118 F HN 0.066 nan 8.300 nan 0.000 0.474 119 W N 0.603 121.602 121.300 -0.503 0.000 2.355 119 W HA -0.098 4.562 4.660 -0.000 0.000 0.309 119 W C 2.855 179.105 176.519 -0.449 0.000 1.206 119 W CA 1.500 58.488 57.345 -0.595 0.000 1.284 119 W CB -0.698 28.532 29.460 -0.383 0.000 1.145 119 W HN -0.064 nan 8.180 nan 0.000 0.502 120 R N 0.119 120.554 120.500 -0.109 0.000 2.091 120 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 120 R C 1.906 178.108 176.300 -0.164 0.000 1.136 120 R CA 2.238 58.255 56.100 -0.137 0.000 0.959 120 R CB -0.653 29.564 30.300 -0.137 0.000 0.856 120 R HN 0.061 nan 8.270 nan 0.000 0.437 121 T N 1.225 115.657 114.554 -0.203 0.000 2.777 121 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 121 T C 1.846 176.404 174.700 -0.237 0.000 1.040 121 T CA 1.308 63.294 62.100 -0.190 0.000 1.141 121 T CB -0.049 68.725 68.868 -0.157 0.000 0.868 121 T HN 0.164 nan 8.240 nan 0.000 0.444 122 M N 1.756 121.150 119.600 -0.344 0.000 2.082 122 M HA -0.135 4.345 4.480 -0.000 0.000 0.258 122 M C 1.841 178.038 176.300 -0.172 0.000 1.069 122 M CA 1.607 56.742 55.300 -0.274 0.000 1.102 122 M CB -1.153 31.261 32.600 -0.309 0.000 1.336 122 M HN 0.188 nan 8.290 nan 0.000 0.404 123 D N 0.388 120.700 120.400 -0.147 0.000 2.149 123 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 123 D C 1.625 177.866 176.300 -0.097 0.000 0.972 123 D CA 0.997 54.929 54.000 -0.113 0.000 0.835 123 D CB -0.316 40.424 40.800 -0.100 0.000 0.966 123 D HN 0.298 nan 8.370 nan 0.000 0.476 124 D N 0.353 120.693 120.400 -0.099 0.000 2.104 124 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 124 D C 2.210 178.501 176.300 -0.015 0.000 0.994 124 D CA 0.822 54.786 54.000 -0.060 0.000 0.830 124 D CB -0.252 40.512 40.800 -0.060 0.000 0.959 124 D HN 0.238 nan 8.370 nan 0.000 0.452 125 M N 0.164 119.725 119.600 -0.065 0.000 2.117 125 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 125 M C 2.358 178.703 176.300 0.075 0.000 1.065 125 M CA 1.687 56.956 55.300 -0.051 0.000 1.114 125 M CB -0.500 31.803 32.600 -0.495 0.000 1.361 125 M HN 0.038 nan 8.290 nan 0.000 0.408 126 G N 0.215 108.999 108.800 -0.026 0.000 2.442 126 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 126 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 126 G C 1.606 176.508 174.900 0.004 0.000 1.141 126 G CA 0.636 45.727 45.100 -0.015 0.000 0.763 126 G HN 0.406 nan 8.290 nan 0.000 0.554 127 R N 0.147 120.643 120.500 -0.006 0.000 2.193 127 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 127 R C 1.614 177.921 176.300 0.012 0.000 1.110 127 R CA 0.924 57.014 56.100 -0.016 0.000 0.988 127 R CB 0.027 30.312 30.300 -0.026 0.000 0.871 127 R HN 0.277 nan 8.270 nan 0.000 0.458 128 E N 0.217 120.466 120.200 0.081 0.000 2.479 128 E HA 0.099 4.449 4.350 -0.000 0.000 0.193 128 E C 0.052 176.681 176.600 0.048 0.000 1.049 128 E CA 0.319 56.759 56.400 0.067 0.000 0.870 128 E CB 0.389 30.156 29.700 0.113 0.000 0.944 128 E HN 0.329 nan 8.360 nan 0.000 0.492 129 I N 2.583 123.195 120.570 0.070 0.000 2.354 129 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 129 I C -2.434 173.681 176.117 -0.003 0.000 1.007 129 I CA -2.399 58.938 61.300 0.061 0.000 1.167 129 I CB 1.571 39.675 38.000 0.174 0.000 1.320 129 I HN -0.350 nan 8.210 nan 0.000 0.458 130 P HA 0.110 nan 4.420 nan 0.000 0.267 130 P C 0.528 177.791 177.300 -0.062 0.000 1.209 130 P CA 0.211 63.237 63.100 -0.125 0.000 0.763 130 P CB 0.893 32.462 31.700 -0.219 0.000 0.816 131 S N 2.257 117.937 115.700 -0.034 0.000 2.383 131 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 131 S C 1.303 175.991 174.600 0.147 0.000 1.030 131 S CA 1.867 60.120 58.200 0.089 0.000 1.002 131 S CB -0.592 62.569 63.200 -0.066 0.000 0.829 131 S HN 0.679 nan 8.310 nan 0.000 0.467 132 D N 0.460 120.804 120.400 -0.093 0.000 2.340 132 D HA 0.249 4.889 4.640 -0.000 0.000 0.220 132 D C 0.305 176.375 176.300 -0.383 0.000 1.039 132 D CA 0.411 54.310 54.000 -0.168 0.000 0.866 132 D CB 0.067 40.706 40.800 -0.269 0.000 0.913 132 D HN 0.279 nan 8.370 nan 0.000 0.523 133 A N 1.043 123.477 122.820 -0.645 0.000 3.399 133 A HA 0.359 4.679 4.320 -0.000 0.000 0.262 133 A C -2.145 174.640 177.584 -1.331 0.000 1.145 133 A CA -0.788 50.360 52.037 -1.483 0.000 0.916 133 A CB 0.898 19.305 19.000 -0.989 0.000 1.360 133 A HN -0.107 nan 8.150 nan 0.000 0.628 134 P HA -0.179 nan 4.420 nan 0.000 0.218 134 P C 1.277 178.364 177.300 -0.355 0.000 1.148 134 P CA 1.516 64.309 63.100 -0.511 0.000 0.822 134 P CB -0.343 31.036 31.700 -0.534 0.000 0.784 135 W N 0.976 122.198 121.300 -0.130 0.000 2.632 135 W HA 0.069 4.729 4.660 -0.000 0.000 0.248 135 W C 1.274 177.745 176.519 -0.080 0.000 1.259 135 W CA 0.429 57.718 57.345 -0.093 0.000 1.288 135 W CB -1.463 27.938 29.460 -0.098 0.000 1.136 135 W HN -0.090 nan 8.180 nan 0.000 0.640 136 K N 0.765 120.962 120.400 -0.338 0.000 2.374 136 K HA 0.311 4.631 4.320 -0.000 0.000 0.196 136 K C 1.043 177.546 176.600 -0.161 0.000 1.023 136 K CA 0.238 56.411 56.287 -0.190 0.000 1.103 136 K CB 0.003 32.351 32.500 -0.253 0.000 0.848 136 K HN 0.094 nan 8.250 nan 0.000 0.528 137 A N 2.611 125.331 122.820 -0.165 0.000 2.565 137 A HA 0.029 4.349 4.320 -0.000 0.000 0.237 137 A C -1.609 175.844 177.584 -0.219 0.000 1.053 137 A CA -0.867 51.069 52.037 -0.169 0.000 0.755 137 A CB 0.027 18.945 19.000 -0.136 0.000 0.980 137 A HN -0.004 nan 8.150 nan 0.000 0.506 138 P HA -0.150 nan 4.420 nan 0.000 0.216 138 P C 0.545 177.652 177.300 -0.323 0.000 1.154 138 P CA 1.290 64.249 63.100 -0.235 0.000 0.865 138 P CB 0.018 31.592 31.700 -0.209 0.000 0.789 139 L N -2.144 118.728 121.223 -0.585 0.000 2.912 139 L HA 0.347 4.687 4.340 -0.000 0.000 0.240 139 L C 1.866 178.347 176.870 -0.649 0.000 1.262 139 L CA -0.318 54.088 54.840 -0.723 0.000 1.058 139 L CB -0.592 40.778 42.059 -1.149 0.000 1.383 139 L HN -0.098 nan 8.230 nan 0.000 0.512 140 A N 0.692 123.306 122.820 -0.344 0.000 1.873 140 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 140 A C 2.203 179.779 177.584 -0.013 0.000 1.193 140 A CA 1.867 53.832 52.037 -0.119 0.000 0.629 140 A CB -0.192 18.789 19.000 -0.032 0.000 0.826 140 A HN 0.538 nan 8.150 nan 0.000 0.447 141 E N -0.944 119.238 120.200 -0.031 0.000 2.047 141 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 141 E C 2.131 178.763 176.600 0.054 0.000 0.987 141 E CA 1.150 57.565 56.400 0.024 0.000 0.799 141 E CB -0.244 29.458 29.700 0.003 0.000 0.752 141 E HN 0.837 nan 8.360 nan 0.000 0.449 142 E N 0.291 120.493 120.200 0.004 0.000 2.070 142 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 142 E C 1.737 178.499 176.600 0.269 0.000 1.004 142 E CA 1.356 57.806 56.400 0.083 0.000 0.805 142 E CB -0.021 29.686 29.700 0.012 0.000 0.744 142 E HN 0.286 nan 8.360 nan 0.000 0.451 143 W N 0.909 122.251 121.300 0.070 0.000 2.436 143 W HA -0.022 4.638 4.660 -0.000 0.000 0.284 143 W C 1.949 178.538 176.519 0.117 0.000 1.225 143 W CA 0.704 58.103 57.345 0.090 0.000 1.271 143 W CB -0.994 28.521 29.460 0.091 0.000 1.114 143 W HN 0.238 nan 8.180 nan 0.000 0.559 144 D N -0.250 120.345 120.400 0.326 0.000 2.224 144 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 144 D C 1.272 177.699 176.300 0.211 0.000 0.965 144 D CA 0.952 55.109 54.000 0.262 0.000 0.852 144 D CB -0.205 40.722 40.800 0.212 0.000 0.947 144 D HN -0.107 nan 8.370 nan 0.000 0.494 145 N N -0.515 118.293 118.700 0.180 0.000 2.383 145 N HA 0.105 4.845 4.740 -0.000 0.000 0.192 145 N C -0.177 175.412 175.510 0.131 0.000 1.141 145 N CA 0.166 53.298 53.050 0.136 0.000 0.851 145 N CB 0.289 38.839 38.487 0.105 0.000 0.976 145 N HN 0.308 nan 8.380 nan 0.000 0.465 146 M N 0.004 119.698 119.600 0.157 0.000 2.528 146 M HA 0.214 4.694 4.480 -0.000 0.000 0.321 146 M C 0.095 176.475 176.300 0.132 0.000 1.153 146 M CA -0.622 54.756 55.300 0.130 0.000 0.951 146 M CB 2.085 34.768 32.600 0.139 0.000 1.705 146 M HN -0.025 nan 8.290 nan 0.000 0.451 147 T N -0.418 114.194 114.554 0.097 0.000 2.849 147 T HA 0.234 4.584 4.350 -0.000 0.000 0.284 147 T C 1.181 175.911 174.700 0.050 0.000 1.004 147 T CA -0.832 61.319 62.100 0.086 0.000 1.021 147 T CB 0.847 69.755 68.868 0.067 0.000 1.013 147 T HN 0.624 nan 8.240 nan 0.000 0.527 148 M N 0.380 119.990 119.600 0.017 0.000 2.202 148 M HA -0.042 4.438 4.480 -0.000 0.000 0.262 148 M C 2.188 178.443 176.300 -0.075 0.000 1.063 148 M CA 1.625 56.889 55.300 -0.059 0.000 1.097 148 M CB -1.324 31.149 32.600 -0.212 0.000 1.382 148 M HN 0.883 nan 8.290 nan 0.000 0.413 149 K N 0.642 121.009 120.400 -0.056 0.000 2.026 149 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 149 K C 1.696 178.273 176.600 -0.039 0.000 1.048 149 K CA 1.689 57.949 56.287 -0.045 0.000 0.929 149 K CB 0.051 32.557 32.500 0.010 0.000 0.713 149 K HN 0.416 nan 8.250 nan 0.000 0.439 150 E N 0.610 120.802 120.200 -0.014 0.000 2.051 150 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 150 E C 2.079 178.665 176.600 -0.022 0.000 0.991 150 E CA 1.106 57.498 56.400 -0.014 0.000 0.799 150 E CB -0.224 29.484 29.700 0.014 0.000 0.748 150 E HN 0.183 nan 8.360 nan 0.000 0.449 151 L N 1.440 122.653 121.223 -0.016 0.000 1.990 151 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 151 L C 2.161 179.013 176.870 -0.031 0.000 1.072 151 L CA 1.681 56.507 54.840 -0.024 0.000 0.755 151 L CB -0.506 41.532 42.059 -0.035 0.000 0.889 151 L HN 0.139 nan 8.230 nan 0.000 0.432 152 L N -0.882 120.309 121.223 -0.053 0.000 2.042 152 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 152 L C 2.279 179.079 176.870 -0.117 0.000 1.076 152 L CA 1.430 56.211 54.840 -0.099 0.000 0.749 152 L CB -0.968 40.990 42.059 -0.167 0.000 0.893 152 L HN 0.298 nan 8.230 nan 0.000 0.432 153 D N 0.264 120.600 120.400 -0.107 0.000 2.149 153 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 153 D C 2.219 178.427 176.300 -0.153 0.000 0.990 153 D CA 1.269 55.193 54.000 -0.128 0.000 0.839 153 D CB 0.009 40.747 40.800 -0.104 0.000 0.948 153 D HN 0.260 nan 8.370 nan 0.000 0.460 154 K N -0.411 119.927 120.400 -0.103 0.000 2.076 154 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 154 K C 1.852 178.426 176.600 -0.045 0.000 1.051 154 K CA 0.278 56.512 56.287 -0.088 0.000 0.949 154 K CB 0.011 32.498 32.500 -0.023 0.000 0.726 154 K HN 0.000 nan 8.250 nan 0.000 0.443 155 L N 0.569 121.794 121.223 0.004 0.000 2.127 155 L HA 0.037 4.377 4.340 -0.000 0.000 0.203 155 L C 0.062 177.028 176.870 0.160 0.000 1.080 155 L CA 1.167 56.069 54.840 0.103 0.000 0.768 155 L CB 0.133 42.250 42.059 0.096 0.000 0.924 155 L HN 0.053 nan 8.230 nan 0.000 0.444 156 C N -0.048 119.259 119.300 0.012 0.000 2.281 156 C HA 0.151 4.611 4.460 -0.000 0.000 0.336 156 C C 0.788 175.787 174.990 0.015 0.000 1.217 156 C CA -0.788 58.227 59.018 -0.006 0.000 1.730 156 C CB -1.248 26.379 27.740 -0.189 0.000 2.338 156 C HN 0.604 nan 8.230 nan 0.000 0.521 157 W N 1.883 123.142 121.300 -0.069 0.000 3.139 157 W HA 0.128 4.788 4.660 -0.000 0.000 0.260 157 W C 1.407 177.904 176.519 -0.036 0.000 1.312 157 W CA 0.101 57.421 57.345 -0.041 0.000 1.606 157 W CB -0.149 29.299 29.460 -0.020 0.000 1.118 157 W HN 0.667 nan 8.180 nan 0.000 0.675 158 T N -3.579 111.052 114.554 0.127 0.000 2.887 158 T HA 0.295 4.645 4.350 -0.000 0.000 0.288 158 T C 0.835 175.532 174.700 -0.005 0.000 1.021 158 T CA -0.637 61.507 62.100 0.073 0.000 1.000 158 T CB 2.613 71.544 68.868 0.105 0.000 1.034 158 T HN -0.231 nan 8.240 nan 0.000 0.467 159 E N 1.164 121.364 120.200 -0.000 0.000 2.153 159 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 159 E C 2.128 178.718 176.600 -0.016 0.000 0.988 159 E CA 1.254 57.640 56.400 -0.023 0.000 0.811 159 E CB -0.389 29.308 29.700 -0.006 0.000 0.746 159 E HN 0.744 nan 8.360 nan 0.000 0.466 160 S N 0.504 116.229 115.700 0.042 0.000 2.353 160 S HA -0.201 4.269 4.470 -0.000 0.000 0.222 160 S C 2.089 176.706 174.600 0.029 0.000 1.035 160 S CA 1.732 60.005 58.200 0.122 0.000 1.025 160 S CB -0.139 63.204 63.200 0.238 0.000 0.902 160 S HN 0.307 nan 8.310 nan 0.000 0.440 161 A N 1.195 123.895 122.820 -0.200 0.000 1.902 161 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 161 A C 2.198 179.418 177.584 -0.606 0.000 1.181 161 A CA 1.818 53.382 52.037 -0.789 0.000 0.623 161 A CB -0.713 17.877 19.000 -0.683 0.000 0.818 161 A HN 0.641 nan 8.150 nan 0.000 0.443 162 K N -0.532 119.642 120.400 -0.375 0.000 2.097 162 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 162 K C 2.244 178.689 176.600 -0.258 0.000 1.049 162 K CA 1.633 57.713 56.287 -0.344 0.000 0.933 162 K CB -0.174 32.195 32.500 -0.218 0.000 0.717 162 K HN 0.651 nan 8.250 nan 0.000 0.442 163 Q N 0.348 120.061 119.800 -0.146 0.000 2.050 163 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 163 Q C 2.111 178.094 176.000 -0.029 0.000 0.980 163 Q CA 1.384 57.157 55.803 -0.050 0.000 0.840 163 Q CB -0.118 28.638 28.738 0.030 0.000 0.898 163 Q HN 0.192 nan 8.270 nan 0.000 0.424 164 L N 0.541 121.737 121.223 -0.045 0.000 2.056 164 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 164 L C 2.146 178.966 176.870 -0.084 0.000 1.078 164 L CA 1.953 56.804 54.840 0.019 0.000 0.749 164 L CB -0.850 41.271 42.059 0.103 0.000 0.901 164 L HN 0.156 nan 8.230 nan 0.000 0.433 165 A N -1.731 120.820 122.820 -0.450 0.000 1.908 165 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 165 A C 2.275 179.746 177.584 -0.189 0.000 1.181 165 A CA 2.365 54.036 52.037 -0.610 0.000 0.627 165 A CB -1.162 16.996 19.000 -1.404 0.000 0.818 165 A HN 0.496 nan 8.150 nan 0.000 0.445 166 T N 0.006 114.448 114.554 -0.188 0.000 2.708 166 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 166 T C 1.876 176.556 174.700 -0.033 0.000 1.037 166 T CA 1.353 63.381 62.100 -0.120 0.000 1.146 166 T CB -0.398 68.413 68.868 -0.096 0.000 0.865 166 T HN 0.405 nan 8.240 nan 0.000 0.435 167 L N 0.348 121.602 121.223 0.051 0.000 2.012 167 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 167 L C 2.256 179.228 176.870 0.169 0.000 1.073 167 L CA 1.620 56.535 54.840 0.124 0.000 0.748 167 L CB -0.432 41.738 42.059 0.186 0.000 0.891 167 L HN 0.225 nan 8.230 nan 0.000 0.431 168 F N -0.095 119.909 119.950 0.089 0.000 2.091 168 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 168 F C 2.089 177.989 175.800 0.167 0.000 1.103 168 F CA 2.171 60.286 58.000 0.191 0.000 1.228 168 F CB -0.863 38.346 39.000 0.347 0.000 0.984 168 F HN -0.101 nan 8.300 nan 0.000 0.477 169 V N 1.121 120.884 119.914 -0.252 0.000 2.295 169 V HA -0.356 3.764 4.120 -0.000 0.000 0.246 169 V C 2.087 178.023 176.094 -0.263 0.000 1.049 169 V CA 2.467 64.454 62.300 -0.522 0.000 1.024 169 V CB -1.081 30.324 31.823 -0.697 0.000 0.648 169 V HN 0.428 nan 8.190 nan 0.000 0.447 170 N N 0.031 118.638 118.700 -0.156 0.000 2.120 170 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 170 N C 1.756 177.218 175.510 -0.080 0.000 1.024 170 N CA 1.241 54.225 53.050 -0.110 0.000 0.852 170 N CB -0.208 38.260 38.487 -0.032 0.000 1.003 170 N HN 0.332 nan 8.380 nan 0.000 0.424 171 L N 0.829 122.045 121.223 -0.012 0.000 2.056 171 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 171 L C 2.360 179.274 176.870 0.074 0.000 1.078 171 L CA 1.433 56.292 54.840 0.033 0.000 0.749 171 L CB -0.864 41.215 42.059 0.034 0.000 0.901 171 L HN 0.244 nan 8.230 nan 0.000 0.433 172 C N -1.130 118.195 119.300 0.042 0.000 2.432 172 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 172 C C 2.294 177.364 174.990 0.133 0.000 1.249 172 C CA 1.266 60.362 59.018 0.131 0.000 1.725 172 C CB -0.573 27.164 27.740 -0.005 0.000 2.028 172 C HN 0.556 nan 8.230 nan 0.000 0.477 173 V N -1.662 118.236 119.914 -0.027 0.000 3.252 173 V HA 0.320 4.440 4.120 -0.000 0.000 0.320 173 V C 0.741 176.692 176.094 -0.238 0.000 1.459 173 V CA 0.969 63.214 62.300 -0.091 0.000 1.095 173 V CB -1.216 30.679 31.823 0.120 0.000 0.997 173 V HN 0.603 nan 8.190 nan 0.000 0.469 174 T N -1.487 112.846 114.554 -0.368 0.000 3.760 174 T HA -0.094 4.256 4.350 -0.000 0.000 0.366 174 T C 0.132 174.658 174.700 -0.291 0.000 0.761 174 T CA 1.287 63.148 62.100 -0.398 0.000 1.887 174 T CB -2.567 65.920 68.868 -0.634 0.000 1.811 174 T HN 2.413 nan 8.240 nan 0.000 0.749 175 A N -0.318 122.320 122.820 -0.303 0.000 2.587 175 A HA 0.725 5.045 4.320 -0.000 0.000 0.293 175 A C -0.426 176.937 177.584 -0.368 0.000 1.087 175 A CA -1.064 50.719 52.037 -0.422 0.000 0.692 175 A CB 1.239 19.760 19.000 -0.798 0.000 1.291 175 A HN 0.335 nan 8.150 nan 0.000 0.407 176 E N 0.562 120.502 120.200 -0.433 0.000 2.373 176 E HA 0.237 4.587 4.350 -0.000 0.000 0.263 176 E C 1.261 177.554 176.600 -0.512 0.000 1.073 176 E CA 0.529 56.646 56.400 -0.472 0.000 0.894 176 E CB 0.890 30.135 29.700 -0.759 0.000 1.008 176 E HN 0.806 nan 8.360 nan 0.000 0.420 177 T N -1.281 113.048 114.554 -0.375 0.000 2.833 177 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 177 T C 1.433 176.007 174.700 -0.209 0.000 1.054 177 T CA 1.668 63.598 62.100 -0.283 0.000 1.135 177 T CB -0.369 68.379 68.868 -0.200 0.000 0.869 177 T HN 0.620 nan 8.240 nan 0.000 0.466 178 H N 0.624 119.630 119.070 -0.108 0.000 2.548 178 H HA 0.253 4.809 4.556 -0.000 0.000 0.268 178 H C 1.487 176.785 175.328 -0.050 0.000 0.975 178 H CA 0.799 56.806 56.048 -0.069 0.000 1.195 178 H CB -0.190 29.532 29.762 -0.067 0.000 1.397 178 H HN 0.513 nan 8.280 nan 0.000 0.572 179 E N 1.443 121.439 120.200 -0.339 0.000 2.230 179 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 179 E C 0.854 177.427 176.600 -0.046 0.000 0.987 179 E CA 0.516 56.809 56.400 -0.178 0.000 0.841 179 E CB 0.697 30.155 29.700 -0.405 0.000 0.783 179 E HN 0.359 nan 8.360 nan 0.000 0.481 180 V N -0.871 119.002 119.914 -0.068 0.000 2.547 180 V HA 0.400 4.520 4.120 -0.000 0.000 0.299 180 V C 0.025 176.257 176.094 0.229 0.000 1.040 180 V CA -1.173 61.199 62.300 0.121 0.000 0.913 180 V CB 1.846 33.786 31.823 0.195 0.000 0.992 180 V HN -0.029 nan 8.190 nan 0.000 0.449 181 S N 3.422 119.334 115.700 0.353 0.000 2.549 181 S HA 0.420 4.890 4.470 -0.000 0.000 0.286 181 S C 1.471 176.320 174.600 0.416 0.000 1.314 181 S CA 0.188 58.609 58.200 0.368 0.000 1.062 181 S CB 0.885 64.339 63.200 0.423 0.000 0.865 181 S HN 1.750 nan 8.310 nan 0.000 0.498 182 A N 5.041 128.036 122.820 0.292 0.000 1.883 182 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 182 A C 2.044 179.811 177.584 0.304 0.000 1.186 182 A CA 1.735 53.919 52.037 0.244 0.000 0.624 182 A CB -1.002 18.075 19.000 0.128 0.000 0.822 182 A HN 0.964 nan 8.150 nan 0.000 0.444 183 L N -1.456 119.991 121.223 0.374 0.000 2.012 183 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 183 L C 2.251 179.358 176.870 0.395 0.000 1.073 183 L CA 2.639 57.727 54.840 0.414 0.000 0.748 183 L CB -0.795 41.504 42.059 0.400 0.000 0.891 183 L HN 0.672 nan 8.230 nan 0.000 0.431 184 W N -0.621 120.846 121.300 0.279 0.000 2.358 184 W HA -0.284 4.376 4.660 -0.000 0.000 0.303 184 W C 2.347 179.139 176.519 0.454 0.000 1.208 184 W CA 1.905 59.435 57.345 0.309 0.000 1.274 184 W CB -0.675 28.951 29.460 0.277 0.000 1.138 184 W HN 0.293 nan 8.180 nan 0.000 0.515 185 F N 0.721 120.736 119.950 0.108 0.000 2.146 185 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 185 F C 2.047 177.761 175.800 -0.143 0.000 1.096 185 F CA 2.104 59.966 58.000 -0.230 0.000 1.275 185 F CB -0.609 38.383 39.000 -0.013 0.000 1.008 185 F HN -0.171 nan 8.300 nan 0.000 0.480 186 L N -1.303 119.936 121.223 0.027 0.000 2.093 186 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 186 L C 2.269 179.075 176.870 -0.107 0.000 1.085 186 L CA 1.518 56.320 54.840 -0.063 0.000 0.755 186 L CB -1.012 41.041 42.059 -0.011 0.000 0.904 186 L HN 0.440 nan 8.230 nan 0.000 0.435 187 W N 0.095 121.276 121.300 -0.198 0.000 2.355 187 W HA -0.311 4.349 4.660 -0.000 0.000 0.309 187 W C 2.627 178.939 176.519 -0.346 0.000 1.206 187 W CA 1.521 58.732 57.345 -0.224 0.000 1.284 187 W CB -0.643 28.717 29.460 -0.167 0.000 1.145 187 W HN 0.104 nan 8.180 nan 0.000 0.502 188 Y N 0.743 120.591 120.300 -0.754 0.000 2.114 188 Y HA -0.334 4.216 4.550 -0.000 0.000 0.282 188 Y C 2.399 177.747 175.900 -0.920 0.000 1.165 188 Y CA 3.136 60.575 58.100 -1.102 0.000 1.148 188 Y CB -0.870 36.896 38.460 -1.156 0.000 0.972 188 Y HN -0.125 nan 8.280 nan 0.000 0.504 189 V N 0.942 120.441 119.914 -0.692 0.000 2.307 189 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 189 V C 2.518 178.295 176.094 -0.530 0.000 1.045 189 V CA 2.228 64.207 62.300 -0.534 0.000 1.024 189 V CB -0.717 30.887 31.823 -0.365 0.000 0.651 189 V HN 0.329 nan 8.190 nan 0.000 0.449 190 K N 1.118 121.229 120.400 -0.482 0.000 2.063 190 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 190 K C 2.134 178.408 176.600 -0.543 0.000 1.048 190 K CA 2.431 58.469 56.287 -0.415 0.000 0.928 190 K CB -0.234 32.091 32.500 -0.291 0.000 0.713 190 K HN 0.724 nan 8.250 nan 0.000 0.442 191 Q N -0.745 118.584 119.800 -0.785 0.000 2.472 191 Q HA -0.002 4.338 4.340 -0.000 0.000 0.208 191 Q C 1.473 176.975 176.000 -0.830 0.000 0.958 191 Q CA 1.017 56.357 55.803 -0.773 0.000 0.932 191 Q CB -0.490 27.626 28.738 -1.037 0.000 1.007 191 Q HN 0.172 nan 8.270 nan 0.000 0.508 192 C N 0.157 118.822 119.300 -1.057 0.000 2.754 192 C HA 0.609 5.069 4.460 -0.000 0.000 0.276 192 C C 1.534 175.801 174.990 -1.204 0.000 1.264 192 C CA 0.113 58.125 59.018 -1.676 0.000 1.700 192 C CB -0.907 25.812 27.740 -1.702 0.000 1.885 192 C HN 0.824 nan 8.230 nan 0.000 0.607 193 G N 0.162 108.568 108.800 -0.656 0.000 2.141 193 G HA2 0.295 4.255 3.960 -0.000 0.000 0.231 193 G HA3 0.295 4.255 3.960 -0.000 0.000 0.231 193 G C 0.460 175.188 174.900 -0.286 0.000 0.984 193 G CA 0.025 44.900 45.100 -0.375 0.000 0.660 193 G HN 1.657 nan 8.290 nan 0.000 0.525 194 G N -2.166 106.444 108.800 -0.316 0.000 2.592 194 G HA2 0.331 4.291 3.960 -0.000 0.000 0.684 194 G HA3 0.331 4.291 3.960 -0.000 0.000 0.684 194 G C 0.996 175.818 174.900 -0.129 0.000 1.291 194 G CA 0.936 45.918 45.100 -0.196 0.000 0.891 194 G HN 1.826 nan 8.290 nan 0.000 0.544 195 T N -2.861 111.665 114.554 -0.048 0.000 2.708 195 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 195 T C 2.380 177.014 174.700 -0.110 0.000 1.037 195 T CA 2.926 65.025 62.100 -0.002 0.000 1.146 195 T CB -0.892 68.023 68.868 0.079 0.000 0.865 195 T HN 1.002 nan 8.240 nan 0.000 0.435 196 T N 1.458 115.967 114.554 -0.074 0.000 2.684 196 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 196 T C 2.126 176.741 174.700 -0.142 0.000 1.036 196 T CA 1.633 63.652 62.100 -0.135 0.000 1.148 196 T CB -0.333 68.533 68.868 -0.003 0.000 0.863 196 T HN 0.305 nan 8.240 nan 0.000 0.436 197 R N 0.873 121.321 120.500 -0.087 0.000 2.075 197 R HA 0.145 4.485 4.340 -0.000 0.000 0.232 197 R C 2.237 178.549 176.300 0.020 0.000 1.126 197 R CA 1.153 57.234 56.100 -0.032 0.000 0.963 197 R CB -0.866 29.407 30.300 -0.046 0.000 0.858 197 R HN 0.459 nan 8.270 nan 0.000 0.435 198 I N 0.416 120.963 120.570 -0.038 0.000 2.394 198 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 198 I C 1.659 177.842 176.117 0.110 0.000 1.136 198 I CA 1.306 62.645 61.300 0.064 0.000 1.425 198 I CB 0.073 38.092 38.000 0.032 0.000 1.079 198 I HN 0.353 nan 8.210 nan 0.000 0.425 199 I N -2.984 117.578 120.570 -0.013 0.000 3.783 199 I HA 0.156 4.326 4.170 -0.000 0.000 0.310 199 I C 0.763 176.796 176.117 -0.139 0.000 1.274 199 I CA -0.090 61.160 61.300 -0.084 0.000 1.294 199 I CB -0.033 37.801 38.000 -0.277 0.000 1.051 199 I HN -0.107 nan 8.210 nan 0.000 0.435 200 S N 1.296 116.913 115.700 -0.137 0.000 2.565 200 S HA 0.289 4.759 4.470 -0.000 0.000 0.274 200 S C 0.913 175.468 174.600 -0.076 0.000 1.309 200 S CA -0.305 57.816 58.200 -0.131 0.000 1.043 200 S CB 1.735 64.858 63.200 -0.129 0.000 0.939 200 S HN 0.295 nan 8.310 nan 0.000 0.504 201 T N 2.209 116.717 114.554 -0.077 0.000 2.896 201 T HA 0.032 4.382 4.350 -0.000 0.000 0.238 201 T C 0.549 175.202 174.700 -0.079 0.000 1.045 201 T CA 0.606 62.653 62.100 -0.088 0.000 1.248 201 T CB -0.349 68.465 68.868 -0.089 0.000 0.955 201 T HN 0.616 nan 8.240 nan 0.000 0.416 202 T N 3.631 118.146 114.554 -0.065 0.000 2.831 202 T HA 0.103 4.453 4.350 -0.000 0.000 0.291 202 T C 0.703 175.374 174.700 -0.049 0.000 0.981 202 T CA 0.436 62.505 62.100 -0.051 0.000 1.174 202 T CB -0.170 68.675 68.868 -0.037 0.000 0.929 202 T HN 0.525 nan 8.240 nan 0.000 0.532 203 N N 0.699 119.373 118.700 -0.043 0.000 2.800 203 N HA -0.145 4.595 4.740 -0.000 0.000 0.250 203 N C 0.171 175.667 175.510 -0.025 0.000 1.078 203 N CA 1.470 54.501 53.050 -0.032 0.000 0.804 203 N CB -1.077 37.396 38.487 -0.022 0.000 1.135 203 N HN 0.954 nan 8.380 nan 0.000 0.565 204 G N -3.016 105.763 108.800 -0.036 0.000 3.135 204 G HA2 0.569 4.529 3.960 -0.000 0.000 0.278 204 G HA3 0.569 4.529 3.960 -0.000 0.000 0.278 204 G C 0.957 175.833 174.900 -0.040 0.000 1.302 204 G CA -0.027 45.073 45.100 -0.001 0.000 0.880 204 G HN 0.301 nan 8.290 nan 0.000 0.574 205 G N -0.919 107.892 108.800 0.019 0.000 2.470 205 G HA2 0.006 3.966 3.960 -0.000 0.000 0.220 205 G HA3 0.006 3.966 3.960 -0.000 0.000 0.220 205 G C 1.154 175.991 174.900 -0.106 0.000 1.121 205 G CA 0.926 45.940 45.100 -0.143 0.000 0.766 205 G HN 0.396 nan 8.290 nan 0.000 0.553 206 Q N -0.334 119.406 119.800 -0.099 0.000 2.201 206 Q HA 0.266 4.606 4.340 -0.000 0.000 0.217 206 Q C 1.630 177.525 176.000 -0.176 0.000 0.860 206 Q CA -0.116 55.555 55.803 -0.220 0.000 0.984 206 Q CB 0.695 29.207 28.738 -0.377 0.000 1.095 206 Q HN 0.637 nan 8.270 nan 0.000 0.477 207 E N 0.594 120.717 120.200 -0.129 0.000 2.110 207 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 207 E C -0.067 176.456 176.600 -0.128 0.000 0.988 207 E CA 0.806 57.135 56.400 -0.117 0.000 0.804 207 E CB 0.419 30.053 29.700 -0.110 0.000 0.745 207 E HN 0.158 nan 8.360 nan 0.000 0.458 208 R N -0.856 119.551 120.500 -0.154 0.000 2.774 208 R HA 0.447 4.787 4.340 -0.000 0.000 0.272 208 R C -1.118 174.985 176.300 -0.328 0.000 1.000 208 R CA -0.743 55.195 56.100 -0.271 0.000 0.906 208 R CB 2.027 32.148 30.300 -0.298 0.000 1.227 208 R HN -0.170 nan 8.270 nan 0.000 0.468 209 K N 0.716 120.767 120.400 -0.583 0.000 2.400 209 K HA 0.443 4.763 4.320 -0.000 0.000 0.246 209 K C -1.083 175.210 176.600 -0.511 0.000 0.995 209 K CA -0.709 55.239 56.287 -0.565 0.000 0.840 209 K CB 1.534 33.752 32.500 -0.470 0.000 1.293 209 K HN 0.244 nan 8.250 nan 0.000 0.445 210 F N 1.147 121.045 119.950 -0.087 0.000 2.427 210 F HA 0.133 4.660 4.527 -0.000 0.000 0.352 210 F C 0.490 176.357 175.800 0.111 0.000 1.100 210 F CA -0.945 57.053 58.000 -0.004 0.000 1.191 210 F CB 0.902 39.875 39.000 -0.046 0.000 1.128 210 F HN 0.021 nan 8.300 nan 0.000 0.533 211 V N 3.920 124.054 119.914 0.368 0.000 2.509 211 V HA 0.160 4.280 4.120 -0.000 0.000 0.297 211 V C 1.005 177.014 176.094 -0.141 0.000 1.014 211 V CA 1.319 63.752 62.300 0.221 0.000 1.127 211 V CB 0.040 31.965 31.823 0.171 0.000 0.925 211 V HN 1.120 nan 8.190 nan 0.000 0.480 212 G N 3.281 111.611 108.800 -0.784 0.000 2.199 212 G HA2 0.121 4.081 3.960 -0.000 0.000 0.254 212 G HA3 0.121 4.081 3.960 -0.000 0.000 0.254 212 G C 0.819 175.216 174.900 -0.839 0.000 0.982 212 G CA -0.003 44.326 45.100 -1.286 0.000 0.632 212 G HN 2.479 nan 8.290 nan 0.000 0.529 213 G N -1.521 107.087 108.800 -0.321 0.000 2.697 213 G HA2 0.361 4.321 3.960 -0.000 0.000 0.686 213 G HA3 0.361 4.321 3.960 -0.000 0.000 0.686 213 G C 0.831 175.754 174.900 0.038 0.000 1.179 213 G CA 0.856 45.950 45.100 -0.010 0.000 0.765 213 G HN 1.890 nan 8.290 nan 0.000 0.649 214 S N 0.133 115.912 115.700 0.132 0.000 2.453 214 S HA 0.108 4.578 4.470 -0.000 0.000 0.231 214 S C 2.572 177.172 174.600 -0.000 0.000 1.005 214 S CA 1.677 59.957 58.200 0.133 0.000 0.949 214 S CB -0.148 63.181 63.200 0.214 0.000 0.774 214 S HN 2.220 nan 8.310 nan 0.000 0.510 215 G N 1.332 110.142 108.800 0.015 0.000 2.479 215 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 215 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 215 G C 1.447 176.325 174.900 -0.037 0.000 1.115 215 G CA 0.700 45.809 45.100 0.016 0.000 0.757 215 G HN 0.656 nan 8.290 nan 0.000 0.560 216 Q N -0.280 119.463 119.800 -0.095 0.000 2.224 216 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 216 Q C 2.735 178.644 176.000 -0.152 0.000 0.970 216 Q CA 0.817 56.543 55.803 -0.128 0.000 0.865 216 Q CB -0.116 28.519 28.738 -0.171 0.000 0.922 216 Q HN 0.432 nan 8.270 nan 0.000 0.445 217 V N 0.366 120.164 119.914 -0.194 0.000 2.255 217 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 217 V C 2.132 178.165 176.094 -0.101 0.000 1.051 217 V CA 2.162 64.347 62.300 -0.191 0.000 1.018 217 V CB -0.587 31.111 31.823 -0.209 0.000 0.641 217 V HN 0.291 nan 8.190 nan 0.000 0.445 218 S N -0.825 114.840 115.700 -0.058 0.000 2.387 218 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 218 S C 1.916 176.497 174.600 -0.031 0.000 1.026 218 S CA 1.366 59.550 58.200 -0.028 0.000 0.972 218 S CB -0.235 62.971 63.200 0.010 0.000 0.814 218 S HN 0.680 nan 8.310 nan 0.000 0.477 219 E N 1.092 121.272 120.200 -0.032 0.000 2.051 219 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 219 E C 2.343 178.915 176.600 -0.048 0.000 0.991 219 E CA 0.914 57.295 56.400 -0.032 0.000 0.799 219 E CB -0.082 29.600 29.700 -0.031 0.000 0.748 219 E HN 0.345 nan 8.360 nan 0.000 0.449 220 R N 0.228 120.689 120.500 -0.066 0.000 2.115 220 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 220 R C 2.324 178.584 176.300 -0.066 0.000 1.111 220 R CA 0.846 56.905 56.100 -0.069 0.000 0.976 220 R CB -0.179 30.070 30.300 -0.085 0.000 0.870 220 R HN 0.234 nan 8.270 nan 0.000 0.445 221 I N 0.569 121.099 120.570 -0.067 0.000 2.353 221 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 221 I C 2.648 178.719 176.117 -0.077 0.000 1.119 221 I CA 1.040 62.299 61.300 -0.069 0.000 1.417 221 I CB -0.171 37.794 38.000 -0.059 0.000 1.078 221 I HN 0.192 nan 8.210 nan 0.000 0.421 222 M N 0.953 120.516 119.600 -0.062 0.000 2.108 222 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 222 M C 1.668 177.930 176.300 -0.063 0.000 1.066 222 M CA 1.978 57.242 55.300 -0.059 0.000 1.107 222 M CB -0.215 32.362 32.600 -0.039 0.000 1.356 222 M HN 0.136 nan 8.290 nan 0.000 0.406 223 D N 0.734 121.101 120.400 -0.055 0.000 2.123 223 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 223 D C 2.058 178.321 176.300 -0.062 0.000 0.992 223 D CA 1.498 55.469 54.000 -0.050 0.000 0.833 223 D CB -0.520 40.254 40.800 -0.043 0.000 0.954 223 D HN 0.441 nan 8.370 nan 0.000 0.455 224 L N 0.060 121.236 121.223 -0.078 0.000 2.131 224 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 224 L C 2.342 179.102 176.870 -0.184 0.000 1.092 224 L CA 0.626 55.406 54.840 -0.099 0.000 0.759 224 L CB -0.184 41.819 42.059 -0.094 0.000 0.903 224 L HN 0.025 nan 8.230 nan 0.000 0.435 225 L N -1.230 119.872 121.223 -0.203 0.000 2.509 225 L HA 0.153 4.493 4.340 -0.000 0.000 0.222 225 L C 1.679 178.460 176.870 -0.148 0.000 1.123 225 L CA 0.350 55.025 54.840 -0.274 0.000 0.856 225 L CB -0.556 41.369 42.059 -0.224 0.000 0.985 225 L HN 0.420 nan 8.230 nan 0.000 0.456 226 G N 2.002 110.747 108.800 -0.092 0.000 2.629 226 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.313 226 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.313 226 G C 0.607 175.485 174.900 -0.036 0.000 1.217 226 G CA 0.571 45.642 45.100 -0.048 0.000 0.994 226 G HN 0.510 nan 8.290 nan 0.000 0.549 227 D N 1.033 121.423 120.400 -0.017 0.000 2.363 227 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 227 D C 2.078 178.378 176.300 0.001 0.000 1.020 227 D CA 0.729 54.727 54.000 -0.003 0.000 0.892 227 D CB -0.331 40.475 40.800 0.011 0.000 0.900 227 D HN 0.626 nan 8.370 nan 0.000 0.531 228 R N -0.064 120.426 120.500 -0.016 0.000 2.235 228 R HA 0.103 4.443 4.340 -0.000 0.000 0.213 228 R C 0.259 176.537 176.300 -0.036 0.000 1.059 228 R CA 0.223 56.315 56.100 -0.015 0.000 0.997 228 R CB 0.315 30.598 30.300 -0.028 0.000 0.884 228 R HN 0.072 nan 8.270 nan 0.000 0.462 229 V N 2.852 122.741 119.914 -0.043 0.000 2.383 229 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 229 V C -0.174 175.895 176.094 -0.041 0.000 1.036 229 V CA -0.530 61.739 62.300 -0.051 0.000 0.889 229 V CB 1.390 33.184 31.823 -0.049 0.000 0.985 229 V HN 0.033 nan 8.190 nan 0.000 0.459 230 K N 6.490 126.853 120.400 -0.061 0.000 2.316 230 K HA 0.549 4.869 4.320 -0.000 0.000 0.267 230 K C -0.716 175.851 176.600 -0.055 0.000 1.025 230 K CA -0.328 55.932 56.287 -0.044 0.000 0.896 230 K CB 1.902 34.370 32.500 -0.053 0.000 1.124 230 K HN 0.496 nan 8.250 nan 0.000 0.451 231 L N 1.592 122.793 121.223 -0.037 0.000 2.399 231 L HA 0.182 4.522 4.340 -0.000 0.000 0.266 231 L C 0.695 177.536 176.870 -0.047 0.000 1.114 231 L CA -0.216 54.597 54.840 -0.045 0.000 0.804 231 L CB 0.265 42.306 42.059 -0.029 0.000 1.146 231 L HN 0.706 nan 8.230 nan 0.000 0.451 232 E N 0.556 120.714 120.200 -0.070 0.000 2.389 232 E HA -0.230 4.120 4.350 -0.000 0.000 0.243 232 E C -0.514 176.047 176.600 -0.064 0.000 1.154 232 E CA 0.296 56.652 56.400 -0.073 0.000 0.723 232 E CB -0.786 28.889 29.700 -0.042 0.000 1.261 232 E HN 0.363 nan 8.360 nan 0.000 0.390 233 R N 0.178 120.627 120.500 -0.085 0.000 2.724 233 R HA 0.247 4.587 4.340 -0.000 0.000 0.284 233 R C -2.703 173.538 176.300 -0.098 0.000 1.481 233 R CA -2.019 54.045 56.100 -0.059 0.000 1.652 233 R CB 0.578 30.846 30.300 -0.053 0.000 1.175 233 R HN -0.011 nan 8.270 nan 0.000 0.613 234 P HA 0.018 nan 4.420 nan 0.000 0.271 234 P C -0.285 177.008 177.300 -0.011 0.000 1.226 234 P CA -0.174 62.851 63.100 -0.126 0.000 0.765 234 P CB 0.928 32.573 31.700 -0.092 0.000 0.835 235 V N 5.475 125.387 119.914 -0.004 0.000 2.555 235 V HA 0.055 4.175 4.120 -0.000 0.000 0.286 235 V C 1.687 177.822 176.094 0.068 0.000 1.044 235 V CA 0.451 62.768 62.300 0.029 0.000 1.026 235 V CB 0.329 32.152 31.823 -0.001 0.000 0.981 235 V HN 0.535 nan 8.190 nan 0.000 0.480 236 I N 1.826 122.452 120.570 0.093 0.000 4.323 236 I HA 0.457 4.627 4.170 -0.000 0.000 0.328 236 I C -0.056 176.167 176.117 0.177 0.000 1.310 236 I CA 0.080 61.462 61.300 0.135 0.000 1.186 236 I CB 0.630 38.700 38.000 0.117 0.000 1.130 236 I HN 0.494 nan 8.210 nan 0.000 0.411 237 Y N 1.829 122.089 120.300 -0.066 0.000 2.436 237 Y HA 0.670 5.220 4.550 -0.000 0.000 0.327 237 Y C -1.971 173.855 175.900 -0.124 0.000 1.138 237 Y CA -1.622 56.416 58.100 -0.104 0.000 1.042 237 Y CB 1.567 39.994 38.460 -0.054 0.000 1.302 237 Y HN -0.006 nan 8.280 nan 0.000 0.439 238 I N 5.900 126.078 120.570 -0.652 0.000 2.447 238 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 238 I C -1.324 174.420 176.117 -0.622 0.000 1.023 238 I CA -0.686 60.301 61.300 -0.521 0.000 1.083 238 I CB 1.790 39.629 38.000 -0.269 0.000 1.245 238 I HN 0.520 nan 8.210 nan 0.000 0.434 239 D N 6.165 126.240 120.400 -0.542 0.000 2.425 239 D HA 0.264 4.904 4.640 -0.000 0.000 0.240 239 D C -0.157 176.066 176.300 -0.128 0.000 1.080 239 D CA -0.180 53.604 54.000 -0.361 0.000 0.836 239 D CB 1.622 42.227 40.800 -0.326 0.000 1.125 239 D HN 0.510 nan 8.370 nan 0.000 0.525 240 Q N 1.681 121.449 119.800 -0.053 0.000 2.179 240 Q HA 0.057 4.397 4.340 -0.000 0.000 0.213 240 Q C 1.306 177.303 176.000 -0.006 0.000 0.833 240 Q CA 0.029 55.821 55.803 -0.018 0.000 0.990 240 Q CB 0.805 29.549 28.738 0.010 0.000 1.132 240 Q HN 0.587 nan 8.270 nan 0.000 0.493 241 T N -2.334 112.220 114.554 0.000 0.000 3.035 241 T HA 0.055 4.405 4.350 -0.000 0.000 0.268 241 T C 1.009 175.713 174.700 0.006 0.000 1.109 241 T CA 0.414 62.522 62.100 0.013 0.000 1.119 241 T CB 0.275 69.160 68.868 0.029 0.000 0.900 241 T HN 0.049 nan 8.240 nan 0.000 0.503 242 R N 0.110 120.608 120.500 -0.003 0.000 2.944 242 R HA 0.469 4.809 4.340 -0.000 0.000 0.233 242 R C 1.590 177.879 176.300 -0.019 0.000 1.346 242 R CA -0.704 55.392 56.100 -0.006 0.000 1.082 242 R CB 0.681 30.980 30.300 -0.001 0.000 1.434 242 R HN 0.098 nan 8.270 nan 0.000 0.510 243 E N 0.627 120.814 120.200 -0.021 0.000 2.058 243 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 243 E C -0.343 176.225 176.600 -0.054 0.000 0.997 243 E CA 1.308 57.688 56.400 -0.033 0.000 0.801 243 E CB 0.120 29.804 29.700 -0.026 0.000 0.746 243 E HN 0.283 nan 8.360 nan 0.000 0.450 244 N N 0.038 118.711 118.700 -0.044 0.000 2.443 244 N HA 0.178 4.918 4.740 -0.000 0.000 0.295 244 N C -1.042 174.441 175.510 -0.045 0.000 1.076 244 N CA -0.381 52.637 53.050 -0.054 0.000 0.919 244 N CB 1.998 40.465 38.487 -0.033 0.000 1.176 244 N HN -0.159 nan 8.380 nan 0.000 0.487 245 V N 2.242 122.123 119.914 -0.055 0.000 2.572 245 V HA 0.141 4.261 4.120 -0.000 0.000 0.291 245 V C 0.461 176.545 176.094 -0.018 0.000 1.039 245 V CA -0.240 62.036 62.300 -0.039 0.000 1.055 245 V CB 0.104 31.907 31.823 -0.032 0.000 0.969 245 V HN 0.400 nan 8.190 nan 0.000 0.482 246 L N 5.590 126.794 121.223 -0.033 0.000 2.287 246 L HA 0.553 4.893 4.340 -0.000 0.000 0.287 246 L C -0.587 176.264 176.870 -0.032 0.000 1.022 246 L CA -0.376 54.458 54.840 -0.008 0.000 0.814 246 L CB 1.841 43.903 42.059 0.006 0.000 1.217 246 L HN 0.409 nan 8.230 nan 0.000 0.420 247 V N 3.147 123.092 119.914 0.052 0.000 2.409 247 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 247 V C -0.241 175.955 176.094 0.170 0.000 1.020 247 V CA -0.672 61.666 62.300 0.063 0.000 0.848 247 V CB 1.671 33.532 31.823 0.062 0.000 0.990 247 V HN 0.700 nan 8.190 nan 0.000 0.430 248 E N 2.956 123.256 120.200 0.167 0.000 2.191 248 E HA 0.623 4.973 4.350 -0.000 0.000 0.274 248 E C -0.180 176.529 176.600 0.182 0.000 0.948 248 E CA -0.488 56.041 56.400 0.214 0.000 0.802 248 E CB 1.800 31.651 29.700 0.251 0.000 1.137 248 E HN 0.839 nan 8.360 nan 0.000 0.397 249 T N 1.099 115.771 114.554 0.197 0.000 2.912 249 T HA 0.169 4.519 4.350 -0.000 0.000 0.280 249 T C 1.061 175.847 174.700 0.143 0.000 0.989 249 T CA -0.837 61.350 62.100 0.145 0.000 0.995 249 T CB 1.038 69.994 68.868 0.148 0.000 1.077 249 T HN 0.442 nan 8.240 nan 0.000 0.531 250 L N 1.722 123.006 121.223 0.101 0.000 2.042 250 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 250 L C 1.977 178.877 176.870 0.049 0.000 1.076 250 L CA 2.204 57.101 54.840 0.096 0.000 0.749 250 L CB -1.352 40.746 42.059 0.065 0.000 0.893 250 L HN 0.935 nan 8.230 nan 0.000 0.432 251 N N -2.445 116.246 118.700 -0.014 0.000 2.501 251 N HA -0.105 4.635 4.740 -0.000 0.000 0.195 251 N C 0.227 175.661 175.510 -0.126 0.000 1.213 251 N CA 0.683 53.641 53.050 -0.155 0.000 0.864 251 N CB -0.523 37.917 38.487 -0.079 0.000 0.999 251 N HN 0.622 nan 8.380 nan 0.000 0.454 252 H N -2.982 116.102 119.070 0.024 0.000 3.642 252 H HA -0.162 4.394 4.556 -0.000 0.000 0.185 252 H C -0.694 174.640 175.328 0.010 0.000 0.992 252 H CA 0.331 56.386 56.048 0.011 0.000 1.216 252 H CB -1.597 28.159 29.762 -0.009 0.000 1.055 252 H HN 0.504 nan 8.280 nan 0.000 0.351 253 E N 1.595 121.874 120.200 0.132 0.000 2.415 253 E HA 0.186 4.536 4.350 -0.000 0.000 0.262 253 E C 0.343 176.952 176.600 0.016 0.000 1.038 253 E CA 0.203 56.623 56.400 0.034 0.000 0.921 253 E CB 0.525 30.271 29.700 0.077 0.000 0.950 253 E HN 0.113 nan 8.360 nan 0.000 0.438 254 M N 2.548 122.025 119.600 -0.204 0.000 2.393 254 M HA 0.362 4.842 4.480 -0.000 0.000 0.316 254 M C -1.282 174.785 176.300 -0.387 0.000 1.087 254 M CA -0.575 54.646 55.300 -0.131 0.000 0.937 254 M CB 1.043 33.597 32.600 -0.076 0.000 1.668 254 M HN 0.448 nan 8.290 nan 0.000 0.438 255 Y N 0.103 120.416 120.300 0.021 0.000 2.442 255 Y HA 0.474 5.024 4.550 -0.000 0.000 0.344 255 Y C -0.154 175.749 175.900 0.004 0.000 0.976 255 Y CA -0.692 57.415 58.100 0.012 0.000 1.040 255 Y CB 1.987 40.453 38.460 0.010 0.000 1.228 255 Y HN 0.597 nan 8.280 nan 0.000 0.451 256 E N 1.836 122.112 120.200 0.126 0.000 2.210 256 E HA 0.852 5.202 4.350 -0.000 0.000 0.266 256 E C -1.375 175.263 176.600 0.064 0.000 0.883 256 E CA -0.726 55.712 56.400 0.064 0.000 0.761 256 E CB 1.538 31.252 29.700 0.024 0.000 1.156 256 E HN 0.760 nan 8.360 nan 0.000 0.412 257 A N 3.195 126.036 122.820 0.035 0.000 2.594 257 A HA 0.364 4.684 4.320 -0.000 0.000 0.291 257 A C 0.021 177.580 177.584 -0.042 0.000 1.105 257 A CA -0.635 51.416 52.037 0.023 0.000 0.694 257 A CB 1.425 20.457 19.000 0.053 0.000 1.291 257 A HN 0.656 nan 8.150 nan 0.000 0.410 258 K N -0.755 119.603 120.400 -0.070 0.000 2.103 258 K HA 0.065 4.385 4.320 -0.000 0.000 0.204 258 K C -0.653 175.629 176.600 -0.529 0.000 1.052 258 K CA 1.519 57.635 56.287 -0.286 0.000 0.945 258 K CB -0.092 32.267 32.500 -0.235 0.000 0.722 258 K HN 0.602 nan 8.250 nan 0.000 0.443 259 Y N -1.104 119.214 120.300 0.030 0.000 2.588 259 Y HA 0.390 4.940 4.550 -0.000 0.000 0.343 259 Y C -0.613 175.310 175.900 0.038 0.000 1.065 259 Y CA -1.299 56.833 58.100 0.054 0.000 1.038 259 Y CB 1.903 40.380 38.460 0.028 0.000 1.297 259 Y HN -0.413 nan 8.280 nan 0.000 0.467 260 V N 3.275 123.328 119.914 0.231 0.000 2.735 260 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 260 V C -0.642 175.498 176.094 0.077 0.000 1.061 260 V CA -0.865 61.498 62.300 0.105 0.000 0.913 260 V CB 2.108 33.961 31.823 0.049 0.000 1.005 260 V HN 0.546 nan 8.190 nan 0.000 0.428 261 I N 2.771 123.356 120.570 0.024 0.000 2.355 261 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 261 I C 0.278 176.380 176.117 -0.025 0.000 0.999 261 I CA -0.163 61.130 61.300 -0.012 0.000 1.163 261 I CB 1.883 39.886 38.000 0.004 0.000 1.316 261 I HN 0.591 nan 8.210 nan 0.000 0.454 262 S N 5.391 121.041 115.700 -0.084 0.000 2.400 262 S HA 0.482 4.952 4.470 -0.000 0.000 0.295 262 S C 0.514 175.189 174.600 0.125 0.000 1.113 262 S CA -0.459 57.765 58.200 0.040 0.000 1.064 262 S CB 0.406 63.663 63.200 0.094 0.000 0.990 262 S HN 0.712 nan 8.310 nan 0.000 0.502 263 A N 5.952 128.838 122.820 0.110 0.000 2.827 263 A HA 0.449 4.769 4.320 -0.000 0.000 0.300 263 A C 0.349 178.013 177.584 0.133 0.000 1.237 263 A CA -0.689 51.421 52.037 0.121 0.000 0.964 263 A CB -0.530 18.517 19.000 0.079 0.000 1.143 263 A HN 0.904 nan 8.150 nan 0.000 0.554 264 I N -3.824 116.843 120.570 0.163 0.000 2.750 264 I HA 0.670 4.840 4.170 -0.000 0.000 0.308 264 I C -2.858 173.359 176.117 0.166 0.000 1.016 264 I CA -3.059 58.336 61.300 0.158 0.000 1.098 264 I CB 1.452 39.549 38.000 0.161 0.000 1.279 264 I HN -0.148 nan 8.210 nan 0.000 0.454 265 P HA 0.101 nan 4.420 nan 0.000 0.263 265 P C -2.167 175.190 177.300 0.095 0.000 1.175 265 P CA -0.581 62.590 63.100 0.119 0.000 0.761 265 P CB -0.071 31.686 31.700 0.094 0.000 0.794 266 P HA -0.238 nan 4.420 nan 0.000 0.215 266 P C 1.631 178.916 177.300 -0.025 0.000 1.163 266 P CA 1.954 65.061 63.100 0.012 0.000 0.894 266 P CB -0.284 31.389 31.700 -0.045 0.000 0.791 267 T N -1.348 113.165 114.554 -0.069 0.000 2.881 267 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 267 T C 1.531 176.220 174.700 -0.017 0.000 1.068 267 T CA 0.726 62.773 62.100 -0.087 0.000 1.131 267 T CB -0.821 67.960 68.868 -0.145 0.000 0.871 267 T HN -0.041 nan 8.240 nan 0.000 0.479 268 L N 0.420 121.663 121.223 0.032 0.000 2.549 268 L HA 0.098 4.438 4.340 -0.000 0.000 0.229 268 L C 2.795 179.741 176.870 0.127 0.000 1.158 268 L CA 0.755 55.643 54.840 0.080 0.000 0.842 268 L CB -0.785 41.346 42.059 0.119 0.000 0.952 268 L HN 0.357 nan 8.230 nan 0.000 0.452 269 G N -0.115 108.772 108.800 0.144 0.000 2.462 269 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 269 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 269 G C 1.608 176.654 174.900 0.244 0.000 1.121 269 G CA 0.254 45.501 45.100 0.244 0.000 0.758 269 G HN 0.142 nan 8.290 nan 0.000 0.559 270 M N 0.548 120.215 119.600 0.112 0.000 2.267 270 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 270 M C 2.198 178.518 176.300 0.033 0.000 1.063 270 M CA 1.078 56.412 55.300 0.056 0.000 1.090 270 M CB -0.609 31.984 32.600 -0.011 0.000 1.392 270 M HN 0.248 nan 8.290 nan 0.000 0.422 271 K N -0.013 120.428 120.400 0.069 0.000 2.439 271 K HA 0.101 4.421 4.320 -0.000 0.000 0.197 271 K C 0.517 177.173 176.600 0.094 0.000 1.041 271 K CA 0.491 56.828 56.287 0.084 0.000 0.970 271 K CB 0.053 32.634 32.500 0.135 0.000 0.773 271 K HN 0.341 nan 8.250 nan 0.000 0.479 272 I N 1.423 122.013 120.570 0.034 0.000 2.359 272 I HA 0.105 4.275 4.170 -0.000 0.000 0.294 272 I C 0.216 176.181 176.117 -0.253 0.000 0.987 272 I CA -0.677 60.544 61.300 -0.132 0.000 1.225 272 I CB 1.167 38.928 38.000 -0.399 0.000 1.366 272 I HN 0.038 nan 8.210 nan 0.000 0.466 273 H N 6.130 125.096 119.070 -0.173 0.000 2.562 273 H HA 0.339 4.895 4.556 -0.000 0.000 0.314 273 H C -1.087 174.156 175.328 -0.143 0.000 1.079 273 H CA -0.210 55.837 56.048 -0.002 0.000 1.349 273 H CB 1.136 30.979 29.762 0.134 0.000 1.432 273 H HN 0.328 nan 8.280 nan 0.000 0.479 274 F N 1.957 122.018 119.950 0.186 0.000 2.469 274 F HA 0.174 4.700 4.527 -0.000 0.000 0.332 274 F C 0.569 176.424 175.800 0.092 0.000 1.103 274 F CA -0.726 57.318 58.000 0.074 0.000 0.979 274 F CB 1.389 40.414 39.000 0.041 0.000 1.137 274 F HN 0.472 nan 8.300 nan 0.000 0.463 275 N N 4.348 123.148 118.700 0.166 0.000 2.480 275 N HA 0.412 5.152 4.740 -0.000 0.000 0.289 275 N C -3.074 172.484 175.510 0.079 0.000 1.073 275 N CA -2.331 50.804 53.050 0.141 0.000 0.885 275 N CB 2.175 40.775 38.487 0.188 0.000 1.421 275 N HN 0.061 nan 8.380 nan 0.000 0.503 276 P HA 0.311 nan 4.420 nan 0.000 0.273 276 P C -2.620 174.756 177.300 0.127 0.000 1.250 276 P CA -0.952 62.205 63.100 0.096 0.000 0.793 276 P CB -0.349 31.387 31.700 0.060 0.000 1.011 277 P HA 0.057 nan 4.420 nan 0.000 0.269 277 P C 0.102 177.417 177.300 0.025 0.000 1.211 277 P CA 0.282 63.444 63.100 0.104 0.000 0.781 277 P CB 0.179 31.920 31.700 0.068 0.000 0.877 278 L N 2.896 124.081 121.223 -0.063 0.000 2.483 278 L HA 0.153 4.493 4.340 -0.000 0.000 0.275 278 L C -1.673 175.140 176.870 -0.094 0.000 1.220 278 L CA -1.573 53.162 54.840 -0.176 0.000 0.833 278 L CB -0.619 41.240 42.059 -0.333 0.000 1.102 278 L HN 0.305 nan 8.230 nan 0.000 0.490 279 P HA -0.036 nan 4.420 nan 0.000 0.270 279 P C 0.656 177.921 177.300 -0.058 0.000 1.223 279 P CA -0.270 62.795 63.100 -0.059 0.000 0.785 279 P CB 0.458 32.123 31.700 -0.059 0.000 0.923 280 M N 1.546 121.125 119.600 -0.035 0.000 2.089 280 M HA -0.238 4.242 4.480 -0.000 0.000 0.257 280 M C 1.213 177.515 176.300 0.003 0.000 1.071 280 M CA 2.379 57.669 55.300 -0.018 0.000 1.096 280 M CB -0.423 32.171 32.600 -0.010 0.000 1.330 280 M HN 0.151 nan 8.290 nan 0.000 0.403 281 M N -0.159 119.441 119.600 -0.001 0.000 2.086 281 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 281 M C 2.355 178.689 176.300 0.057 0.000 1.067 281 M CA 1.872 57.210 55.300 0.064 0.000 1.116 281 M CB -1.483 31.102 32.600 -0.025 0.000 1.348 281 M HN 0.453 nan 8.290 nan 0.000 0.407 282 R N 0.323 120.786 120.500 -0.062 0.000 2.075 282 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 282 R C 2.025 178.231 176.300 -0.156 0.000 1.126 282 R CA 1.738 57.751 56.100 -0.146 0.000 0.963 282 R CB -0.234 29.929 30.300 -0.228 0.000 0.858 282 R HN 0.336 nan 8.270 nan 0.000 0.435 283 N N 0.436 119.061 118.700 -0.125 0.000 2.061 283 N HA -0.229 4.511 4.740 -0.000 0.000 0.193 283 N C 1.568 177.006 175.510 -0.120 0.000 1.030 283 N CA 1.950 54.933 53.050 -0.112 0.000 0.856 283 N CB 0.023 38.469 38.487 -0.069 0.000 1.023 283 N HN 0.365 nan 8.380 nan 0.000 0.424 284 Q N -1.145 118.589 119.800 -0.110 0.000 2.212 284 Q HA -0.031 4.309 4.340 -0.000 0.000 0.199 284 Q C 1.970 177.708 176.000 -0.436 0.000 0.950 284 Q CA 0.549 56.228 55.803 -0.206 0.000 0.863 284 Q CB -0.107 28.571 28.738 -0.099 0.000 0.944 284 Q HN 0.484 nan 8.270 nan 0.000 0.465 285 M N 1.720 121.066 119.600 -0.424 0.000 2.106 285 M HA -0.172 4.308 4.480 -0.000 0.000 0.259 285 M C 2.016 178.080 176.300 -0.393 0.000 1.068 285 M CA 1.704 56.703 55.300 -0.503 0.000 1.100 285 M CB -0.493 31.987 32.600 -0.200 0.000 1.351 285 M HN 0.309 nan 8.290 nan 0.000 0.404 286 I N -1.478 118.924 120.570 -0.279 0.000 3.334 286 I HA -0.073 4.097 4.170 -0.000 0.000 0.282 286 I C 1.450 177.435 176.117 -0.219 0.000 1.313 286 I CA 1.384 62.550 61.300 -0.223 0.000 1.396 286 I CB -0.960 36.953 38.000 -0.145 0.000 1.054 286 I HN 0.329 nan 8.210 nan 0.000 0.495 287 T N -2.664 111.736 114.554 -0.255 0.000 3.069 287 T HA 0.294 4.644 4.350 -0.000 0.000 0.252 287 T C 1.486 176.014 174.700 -0.287 0.000 1.053 287 T CA -0.220 61.742 62.100 -0.230 0.000 0.964 287 T CB -0.030 68.726 68.868 -0.187 0.000 1.005 287 T HN 0.401 nan 8.240 nan 0.000 0.532 288 R N 0.890 121.160 120.500 -0.383 0.000 2.437 288 R HA 0.319 4.659 4.340 -0.000 0.000 0.257 288 R C -0.097 175.885 176.300 -0.530 0.000 0.927 288 R CA 0.025 55.868 56.100 -0.428 0.000 1.078 288 R CB 1.315 31.302 30.300 -0.521 0.000 1.161 288 R HN 0.434 nan 8.270 nan 0.000 0.529 289 V N -0.546 119.033 119.914 -0.559 0.000 2.383 289 V HA 0.485 4.605 4.120 -0.000 0.000 0.264 289 V C -2.674 173.054 176.094 -0.609 0.000 1.001 289 V CA -2.371 59.481 62.300 -0.747 0.000 0.828 289 V CB 0.773 32.098 31.823 -0.829 0.000 1.069 289 V HN -0.113 nan 8.190 nan 0.000 0.451 290 P HA 0.513 nan 4.420 nan 0.000 0.276 290 P C -0.663 176.310 177.300 -0.544 0.000 1.261 290 P CA -0.364 62.396 63.100 -0.567 0.000 0.800 290 P CB 1.831 33.176 31.700 -0.592 0.000 1.066 291 L N 0.130 121.212 121.223 -0.234 0.000 2.352 291 L HA 0.602 4.942 4.340 -0.000 0.000 0.269 291 L C 1.443 178.370 176.870 0.095 0.000 1.034 291 L CA -0.190 54.615 54.840 -0.059 0.000 0.806 291 L CB 0.563 42.619 42.059 -0.004 0.000 1.244 291 L HN 0.474 nan 8.230 nan 0.000 0.447 292 G N -0.267 108.614 108.800 0.134 0.000 2.588 292 G HA2 0.468 4.428 3.960 -0.000 0.000 0.278 292 G HA3 0.468 4.428 3.960 -0.000 0.000 0.278 292 G C -0.863 174.035 174.900 -0.004 0.000 1.307 292 G CA -0.375 44.767 45.100 0.069 0.000 1.016 292 G HN 0.491 nan 8.290 nan 0.000 0.503 293 S N -1.398 114.269 115.700 -0.055 0.000 2.561 293 S HA 0.598 5.068 4.470 -0.000 0.000 0.303 293 S C -1.045 173.535 174.600 -0.034 0.000 1.110 293 S CA -0.508 57.688 58.200 -0.007 0.000 1.034 293 S CB 1.678 64.887 63.200 0.015 0.000 1.010 293 S HN 0.793 nan 8.310 nan 0.000 0.482 294 V N 4.669 124.615 119.914 0.053 0.000 3.000 294 V HA 0.580 4.700 4.120 -0.000 0.000 0.300 294 V C -1.950 174.302 176.094 0.262 0.000 1.251 294 V CA -0.790 61.575 62.300 0.108 0.000 0.972 294 V CB 1.825 33.647 31.823 -0.000 0.000 1.065 294 V HN 0.880 nan 8.190 nan 0.000 0.431 295 I N 5.148 125.885 120.570 0.279 0.000 2.362 295 I HA 0.518 4.688 4.170 -0.000 0.000 0.289 295 I C -0.218 176.146 176.117 0.412 0.000 0.994 295 I CA -0.602 60.885 61.300 0.312 0.000 1.158 295 I CB 1.673 39.797 38.000 0.206 0.000 1.315 295 I HN 0.517 nan 8.210 nan 0.000 0.451 296 K N 5.901 126.584 120.400 0.471 0.000 2.227 296 K HA 0.583 4.903 4.320 -0.000 0.000 0.280 296 K C -1.429 175.307 176.600 0.226 0.000 1.041 296 K CA -0.285 56.261 56.287 0.432 0.000 0.905 296 K CB 0.921 33.739 32.500 0.531 0.000 1.068 296 K HN 0.705 nan 8.250 nan 0.000 0.470 297 C N 5.315 124.705 119.300 0.150 0.000 2.441 297 C HA 0.566 5.026 4.460 -0.000 0.000 0.318 297 C C -0.914 174.127 174.990 0.085 0.000 1.222 297 C CA -1.067 58.025 59.018 0.124 0.000 1.474 297 C CB 0.117 28.033 27.740 0.294 0.000 2.125 297 C HN 0.742 nan 8.230 nan 0.000 0.479 298 I N 3.110 123.688 120.570 0.013 0.000 2.439 298 I HA 0.398 4.568 4.170 -0.000 0.000 0.283 298 I C -0.282 175.845 176.117 0.017 0.000 1.023 298 I CA -0.129 61.135 61.300 -0.060 0.000 1.100 298 I CB 1.409 39.326 38.000 -0.139 0.000 1.238 298 I HN 0.350 nan 8.210 nan 0.000 0.445 299 V N 6.688 126.619 119.914 0.029 0.000 2.394 299 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 299 V C -0.544 175.382 176.094 -0.279 0.000 1.031 299 V CA -0.668 61.658 62.300 0.043 0.000 0.881 299 V CB 0.656 32.551 31.823 0.120 0.000 0.982 299 V HN 0.402 nan 8.190 nan 0.000 0.451 300 Y N 4.187 124.441 120.300 -0.076 0.000 2.352 300 Y HA 0.652 5.202 4.550 0.000 0.000 0.326 300 Y C -0.208 175.565 175.900 -0.212 0.000 1.166 300 Y CA -0.319 57.782 58.100 0.003 0.000 1.182 300 Y CB 1.249 39.807 38.460 0.162 0.000 1.216 300 Y HN 0.530 nan 8.280 nan 0.000 0.474 301 Y N -0.133 120.416 120.300 0.415 0.000 2.605 301 Y HA 0.276 4.826 4.550 -0.000 0.000 0.343 301 Y C 1.121 177.171 175.900 0.251 0.000 1.036 301 Y CA -1.392 56.926 58.100 0.364 0.000 1.065 301 Y CB 1.885 40.660 38.460 0.526 0.000 1.288 301 Y HN 0.499 nan 8.280 nan 0.000 0.481 302 K N 0.429 121.049 120.400 0.366 0.000 2.057 302 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 302 K C -0.534 176.143 176.600 0.129 0.000 1.049 302 K CA 1.696 58.094 56.287 0.185 0.000 0.931 302 K CB 0.191 32.770 32.500 0.132 0.000 0.714 302 K HN 0.741 nan 8.250 nan 0.000 0.440 303 E N -0.759 119.533 120.200 0.155 0.000 2.416 303 E HA 0.223 4.573 4.350 -0.000 0.000 0.273 303 E C -2.660 173.816 176.600 -0.207 0.000 0.935 303 E CA -2.378 54.019 56.400 -0.005 0.000 0.784 303 E CB 2.171 31.854 29.700 -0.029 0.000 1.301 303 E HN -0.025 nan 8.360 nan 0.000 0.454 304 P HA 0.036 nan 4.420 nan 0.000 0.230 304 P C 0.156 176.509 177.300 -1.579 0.000 1.791 304 P CA -0.021 62.154 63.100 -1.541 0.000 1.020 304 P CB -0.846 30.248 31.700 -1.009 0.000 1.977 305 F N 0.063 119.451 119.950 -0.938 0.000 2.269 305 F HA -0.109 4.418 4.527 -0.000 0.000 0.301 305 F C 1.797 177.428 175.800 -0.281 0.000 1.082 305 F CA -0.038 57.705 58.000 -0.428 0.000 1.360 305 F CB -1.776 37.104 39.000 -0.199 0.000 1.041 305 F HN 0.126 nan 8.300 nan 0.000 0.512 306 W N 1.400 122.373 121.300 -0.546 0.000 2.350 306 W HA -0.024 4.636 4.660 0.000 0.000 0.289 306 W C 2.020 178.496 176.519 -0.071 0.000 1.215 306 W CA 0.998 58.230 57.345 -0.188 0.000 1.236 306 W CB -1.139 28.148 29.460 -0.288 0.000 1.130 306 W HN -0.118 nan 8.180 nan 0.000 0.541 307 R N 1.196 121.472 120.500 -0.374 0.000 2.120 307 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 307 R C 2.050 178.268 176.300 -0.138 0.000 1.123 307 R CA 1.738 57.723 56.100 -0.192 0.000 0.975 307 R CB -0.439 29.687 30.300 -0.289 0.000 0.866 307 R HN 0.291 nan 8.270 nan 0.000 0.446 308 K N 0.694 121.007 120.400 -0.144 0.000 2.209 308 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 308 K C 1.293 177.825 176.600 -0.114 0.000 1.048 308 K CA 1.025 57.253 56.287 -0.099 0.000 0.940 308 K CB 0.076 32.539 32.500 -0.061 0.000 0.729 308 K HN 0.124 nan 8.250 nan 0.000 0.451 309 K N 0.917 121.221 120.400 -0.159 0.000 2.410 309 K HA -0.019 4.301 4.320 -0.000 0.000 0.200 309 K C -0.510 175.757 176.600 -0.555 0.000 1.023 309 K CA 0.060 56.138 56.287 -0.350 0.000 1.149 309 K CB 0.314 32.558 32.500 -0.428 0.000 0.859 309 K HN 0.014 nan 8.250 nan 0.000 0.514 310 D N 0.529 120.756 120.400 -0.288 0.000 2.723 310 D HA -0.220 4.420 4.640 -0.000 0.000 0.236 310 D C -1.400 174.832 176.300 -0.114 0.000 1.138 310 D CA 0.943 54.835 54.000 -0.180 0.000 0.676 310 D CB -1.417 39.298 40.800 -0.141 0.000 1.069 310 D HN 0.352 nan 8.370 nan 0.000 0.430 311 Y N -0.943 119.395 120.300 0.063 0.000 2.393 311 Y HA 0.316 4.866 4.550 -0.000 0.000 0.341 311 Y C 2.031 178.012 175.900 0.136 0.000 0.988 311 Y CA -0.979 57.162 58.100 0.067 0.000 1.078 311 Y CB 1.296 39.808 38.460 0.086 0.000 1.203 311 Y HN 0.245 nan 8.280 nan 0.000 0.453 312 C N -1.010 118.414 119.300 0.206 0.000 2.468 312 C HA 0.425 4.885 4.460 -0.000 0.000 0.277 312 C C 1.738 176.795 174.990 0.113 0.000 1.400 312 C CA 0.619 59.733 59.018 0.160 0.000 1.770 312 C CB -0.904 26.852 27.740 0.026 0.000 1.905 312 C HN 1.230 nan 8.230 nan 0.000 0.519 313 G N -0.296 108.398 108.800 -0.176 0.000 2.211 313 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.201 313 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.201 313 G C 0.024 174.578 174.900 -0.575 0.000 0.997 313 G CA 0.164 44.831 45.100 -0.722 0.000 0.652 313 G HN 0.566 nan 8.290 nan 0.000 0.500 314 T N 2.303 116.625 114.554 -0.387 0.000 2.814 314 T HA 0.617 4.967 4.350 -0.000 0.000 0.297 314 T C 0.310 174.811 174.700 -0.333 0.000 0.956 314 T CA 0.599 62.458 62.100 -0.403 0.000 1.123 314 T CB 0.872 69.563 68.868 -0.295 0.000 0.902 314 T HN 0.295 nan 8.240 nan 0.000 0.528 315 M N 3.926 123.320 119.600 -0.343 0.000 2.327 315 M HA 0.487 4.967 4.480 -0.000 0.000 0.298 315 M C -0.943 175.369 176.300 0.020 0.000 1.065 315 M CA -0.571 54.644 55.300 -0.142 0.000 0.916 315 M CB 2.216 34.703 32.600 -0.189 0.000 1.630 315 M HN 0.414 nan 8.290 nan 0.000 0.442 316 I N 4.671 125.394 120.570 0.255 0.000 2.354 316 I HA 0.436 4.606 4.170 -0.000 0.000 0.286 316 I C -0.866 175.515 176.117 0.439 0.000 1.007 316 I CA -0.292 61.253 61.300 0.409 0.000 1.167 316 I CB 0.981 39.235 38.000 0.423 0.000 1.320 316 I HN 0.604 nan 8.210 nan 0.000 0.458 317 I N 5.496 126.283 120.570 0.362 0.000 2.390 317 I HA 0.270 4.440 4.170 -0.000 0.000 0.283 317 I C -0.563 175.739 176.117 0.307 0.000 1.016 317 I CA -0.695 60.802 61.300 0.328 0.000 1.151 317 I CB 0.957 39.086 38.000 0.216 0.000 1.293 317 I HN 0.405 nan 8.210 nan 0.000 0.458 318 D N 5.007 125.598 120.400 0.318 0.000 2.372 318 D HA 0.565 5.205 4.640 -0.000 0.000 0.243 318 D C 0.521 176.939 176.300 0.197 0.000 1.121 318 D CA 0.702 54.850 54.000 0.246 0.000 0.898 318 D CB 1.354 42.276 40.800 0.204 0.000 1.202 318 D HN 0.844 nan 8.370 nan 0.000 0.428 319 G N 1.138 110.033 108.800 0.158 0.000 2.539 319 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 319 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 319 G C 0.459 175.434 174.900 0.125 0.000 1.258 319 G CA -0.239 44.938 45.100 0.129 0.000 0.846 319 G HN 0.364 nan 8.290 nan 0.000 0.647 320 E N 0.133 120.401 120.200 0.113 0.000 2.150 320 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 320 E C 2.191 178.853 176.600 0.103 0.000 0.985 320 E CA 2.422 58.898 56.400 0.126 0.000 0.814 320 E CB -0.000 29.769 29.700 0.116 0.000 0.752 320 E HN 0.649 nan 8.360 nan 0.000 0.466 321 E N 0.382 120.635 120.200 0.088 0.000 2.152 321 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 321 E C 0.455 177.089 176.600 0.057 0.000 0.983 321 E CA 0.851 57.292 56.400 0.068 0.000 0.818 321 E CB -0.353 29.386 29.700 0.065 0.000 0.758 321 E HN 0.264 nan 8.360 nan 0.000 0.467 322 A N 2.764 125.629 122.820 0.075 0.000 2.491 322 A HA 0.156 4.476 4.320 -0.000 0.000 0.261 322 A C -1.378 176.236 177.584 0.050 0.000 1.101 322 A CA -1.127 50.949 52.037 0.064 0.000 0.772 322 A CB 0.131 19.193 19.000 0.103 0.000 1.043 322 A HN -0.001 nan 8.150 nan 0.000 0.501 323 P HA -0.055 nan 4.420 nan 0.000 0.218 323 P C 0.245 177.581 177.300 0.060 0.000 1.149 323 P CA 1.033 64.142 63.100 0.016 0.000 0.817 323 P CB 0.081 31.772 31.700 -0.014 0.000 0.785 324 V N -0.040 119.931 119.914 0.094 0.000 2.448 324 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 324 V C 1.077 177.293 176.094 0.204 0.000 1.025 324 V CA -0.136 62.268 62.300 0.174 0.000 0.859 324 V CB 1.403 33.359 31.823 0.222 0.000 0.988 324 V HN -0.027 nan 8.190 nan 0.000 0.431 325 A N 4.419 127.389 122.820 0.250 0.000 2.220 325 A HA 0.336 4.656 4.320 -0.000 0.000 0.211 325 A C 0.115 177.925 177.584 0.376 0.000 1.176 325 A CA 0.524 52.728 52.037 0.278 0.000 0.834 325 A CB 0.205 19.356 19.000 0.251 0.000 0.868 325 A HN 0.747 nan 8.150 nan 0.000 0.488 326 Y N 0.018 120.444 120.300 0.210 0.000 2.442 326 Y HA 0.475 5.025 4.550 0.000 0.000 0.330 326 Y C -0.414 175.533 175.900 0.078 0.000 1.100 326 Y CA -0.459 57.748 58.100 0.177 0.000 1.034 326 Y CB 1.591 40.215 38.460 0.273 0.000 1.285 326 Y HN 0.124 nan 8.280 nan 0.000 0.440 327 T N 4.046 118.271 114.554 -0.549 0.000 2.906 327 T HA 0.871 5.221 4.350 -0.000 0.000 0.295 327 T C -1.520 172.719 174.700 -0.767 0.000 1.075 327 T CA -0.810 60.950 62.100 -0.566 0.000 1.005 327 T CB 1.848 70.382 68.868 -0.557 0.000 1.136 327 T HN 0.610 nan 8.240 nan 0.000 0.498 328 L N 1.053 121.951 121.223 -0.542 0.000 2.393 328 L HA 0.495 4.835 4.340 -0.000 0.000 0.260 328 L C -0.704 175.957 176.870 -0.348 0.000 1.002 328 L CA -1.252 53.331 54.840 -0.428 0.000 0.818 328 L CB 2.273 44.150 42.059 -0.304 0.000 1.369 328 L HN 0.750 nan 8.230 nan 0.000 0.412 329 D N 0.926 121.158 120.400 -0.280 0.000 2.434 329 D HA -0.042 4.598 4.640 -0.000 0.000 0.252 329 D C -0.228 176.077 176.300 0.008 0.000 1.185 329 D CA 0.561 54.473 54.000 -0.147 0.000 0.886 329 D CB 1.174 42.013 40.800 0.065 0.000 1.148 329 D HN 0.484 nan 8.370 nan 0.000 0.483 330 D N 1.971 122.383 120.400 0.020 0.000 2.424 330 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 330 D C -0.319 176.067 176.300 0.145 0.000 1.150 330 D CA -0.146 53.900 54.000 0.078 0.000 0.831 330 D CB 0.349 41.135 40.800 -0.024 0.000 0.981 330 D HN 0.231 nan 8.370 nan 0.000 0.500 331 T N 1.471 116.149 114.554 0.208 0.000 2.940 331 T HA 0.038 4.388 4.350 -0.000 0.000 0.309 331 T C 0.559 175.346 174.700 0.145 0.000 1.056 331 T CA -0.154 62.069 62.100 0.204 0.000 1.137 331 T CB 0.845 69.839 68.868 0.210 0.000 0.976 331 T HN -0.079 nan 8.240 nan 0.000 0.547 332 K N 3.614 124.061 120.400 0.080 0.000 2.276 332 K HA 0.109 4.429 4.320 -0.000 0.000 0.259 332 K C -1.437 175.059 176.600 -0.173 0.000 1.001 332 K CA -2.060 54.175 56.287 -0.086 0.000 0.927 332 K CB 0.167 32.651 32.500 -0.027 0.000 0.969 332 K HN 0.308 nan 8.250 nan 0.000 0.490 333 P HA -0.115 nan 4.420 nan 0.000 0.222 333 P C 0.311 177.541 177.300 -0.116 0.000 1.147 333 P CA 1.280 64.181 63.100 -0.333 0.000 0.790 333 P CB 0.349 31.749 31.700 -0.500 0.000 0.780 334 E N -0.963 119.189 120.200 -0.081 0.000 2.418 334 E HA 0.133 4.483 4.350 -0.000 0.000 0.197 334 E C 1.589 178.180 176.600 -0.014 0.000 1.026 334 E CA 1.025 57.411 56.400 -0.023 0.000 0.862 334 E CB -0.796 28.910 29.700 0.011 0.000 0.799 334 E HN 0.306 nan 8.360 nan 0.000 0.518 335 G N 0.585 109.379 108.800 -0.010 0.000 2.176 335 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 335 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 335 G C 0.077 174.971 174.900 -0.009 0.000 0.986 335 G CA 0.199 45.291 45.100 -0.013 0.000 0.643 335 G HN 0.354 nan 8.290 nan 0.000 0.522 336 N N -0.712 118.000 118.700 0.021 0.000 2.671 336 N HA 0.545 5.285 4.740 -0.000 0.000 0.303 336 N C 0.513 176.105 175.510 0.135 0.000 1.277 336 N CA -0.946 52.095 53.050 -0.016 0.000 0.933 336 N CB 0.008 38.405 38.487 -0.151 0.000 1.190 336 N HN 0.585 nan 8.380 nan 0.000 0.600 337 Y N -2.552 117.782 120.300 0.057 0.000 3.108 337 Y HA -0.174 4.376 4.550 -0.000 0.000 0.208 337 Y C 0.587 176.626 175.900 0.231 0.000 1.245 337 Y CA 0.320 58.506 58.100 0.143 0.000 1.171 337 Y CB -2.311 36.194 38.460 0.074 0.000 1.331 337 Y HN 0.748 nan 8.280 nan 0.000 0.534 338 A N 0.348 123.329 122.820 0.269 0.000 2.584 338 A HA 0.537 4.857 4.320 -0.000 0.000 0.239 338 A C 0.740 178.574 177.584 0.417 0.000 1.043 338 A CA 0.660 52.870 52.037 0.289 0.000 0.756 338 A CB 0.065 19.163 19.000 0.163 0.000 0.963 338 A HN 1.483 nan 8.150 nan 0.000 0.511 339 A N 2.514 125.586 122.820 0.421 0.000 2.605 339 A HA 0.637 4.957 4.320 -0.000 0.000 0.294 339 A C -1.039 176.540 177.584 -0.009 0.000 1.062 339 A CA -0.537 51.565 52.037 0.109 0.000 0.682 339 A CB 0.976 19.718 19.000 -0.429 0.000 1.278 339 A HN 0.716 nan 8.150 nan 0.000 0.410 340 I N 2.396 122.857 120.570 -0.182 0.000 2.406 340 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 340 I C -0.196 175.764 176.117 -0.262 0.000 0.999 340 I CA -0.419 60.640 61.300 -0.403 0.000 1.124 340 I CB 1.648 39.271 38.000 -0.628 0.000 1.289 340 I HN 0.762 nan 8.210 nan 0.000 0.441 341 M N 5.708 125.148 119.600 -0.267 0.000 2.188 341 M HA 0.601 5.081 4.480 -0.000 0.000 0.357 341 M C -0.317 175.829 176.300 -0.257 0.000 1.204 341 M CA -0.118 55.057 55.300 -0.209 0.000 1.095 341 M CB 1.077 33.575 32.600 -0.169 0.000 1.604 341 M HN 0.705 nan 8.290 nan 0.000 0.464 342 G N 4.502 113.214 108.800 -0.147 0.000 2.563 342 G HA2 0.691 4.651 3.960 -0.000 0.000 0.302 342 G HA3 0.691 4.651 3.960 -0.000 0.000 0.302 342 G C -1.945 172.917 174.900 -0.062 0.000 1.301 342 G CA -0.551 44.504 45.100 -0.075 0.000 0.965 342 G HN 0.668 nan 8.290 nan 0.000 0.480 343 F N 0.688 120.785 119.950 0.245 0.000 2.436 343 F HA 0.484 5.011 4.527 0.000 0.000 0.340 343 F C 0.513 176.427 175.800 0.191 0.000 1.113 343 F CA -0.760 57.386 58.000 0.244 0.000 1.022 343 F CB 2.182 41.358 39.000 0.293 0.000 1.128 343 F HN 0.046 nan 8.300 nan 0.000 0.466 344 I N 5.397 126.183 120.570 0.360 0.000 2.304 344 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 344 I C -0.678 175.533 176.117 0.156 0.000 1.018 344 I CA -0.334 61.090 61.300 0.207 0.000 1.260 344 I CB 0.851 38.940 38.000 0.149 0.000 1.390 344 I HN 0.391 nan 8.210 nan 0.000 0.475 345 L N 6.501 127.777 121.223 0.088 0.000 2.317 345 L HA 0.712 5.052 4.340 -0.000 0.000 0.281 345 L C 0.914 177.755 176.870 -0.048 0.000 1.024 345 L CA -0.179 54.673 54.840 0.019 0.000 0.810 345 L CB 1.544 43.623 42.059 0.033 0.000 1.240 345 L HN 0.910 nan 8.230 nan 0.000 0.427 346 A N 2.103 124.885 122.820 -0.062 0.000 5.295 346 A HA -0.362 3.958 4.320 -0.000 0.000 0.313 346 A C 1.680 179.261 177.584 -0.006 0.000 1.912 346 A CA 1.456 53.464 52.037 -0.049 0.000 0.714 346 A CB -1.596 17.374 19.000 -0.051 0.000 1.319 346 A HN 1.085 nan 8.150 nan 0.000 0.375 347 H N 1.117 120.177 119.070 -0.017 0.000 2.422 347 H HA -0.049 4.507 4.556 -0.000 0.000 0.298 347 H C 1.672 177.017 175.328 0.029 0.000 1.098 347 H CA 1.891 57.947 56.048 0.013 0.000 1.315 347 H CB -0.413 29.366 29.762 0.027 0.000 1.382 347 H HN 0.744 nan 8.280 nan 0.000 0.523 348 K N 0.822 120.857 120.400 -0.609 0.000 2.147 348 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 348 K C 2.628 179.165 176.600 -0.104 0.000 1.049 348 K CA 1.028 57.102 56.287 -0.355 0.000 0.936 348 K CB -0.043 32.273 32.500 -0.307 0.000 0.722 348 K HN 0.333 nan 8.250 nan 0.000 0.446 349 A N 1.690 124.479 122.820 -0.051 0.000 1.883 349 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 349 A C 2.127 179.726 177.584 0.025 0.000 1.186 349 A CA 1.577 53.626 52.037 0.019 0.000 0.624 349 A CB -0.395 18.630 19.000 0.042 0.000 0.822 349 A HN 0.133 nan 8.150 nan 0.000 0.444 350 R N -0.240 120.274 120.500 0.024 0.000 2.073 350 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 350 R C 2.373 178.694 176.300 0.035 0.000 1.134 350 R CA 1.916 58.039 56.100 0.039 0.000 0.952 350 R CB -0.342 29.993 30.300 0.059 0.000 0.850 350 R HN 0.664 nan 8.270 nan 0.000 0.433 351 K N 0.564 120.983 120.400 0.031 0.000 2.026 351 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 351 K C 1.639 178.252 176.600 0.022 0.000 1.048 351 K CA 1.441 57.749 56.287 0.034 0.000 0.929 351 K CB -0.055 32.470 32.500 0.041 0.000 0.713 351 K HN 0.175 nan 8.250 nan 0.000 0.439 352 L N 0.355 121.586 121.223 0.013 0.000 2.492 352 L HA 0.081 4.421 4.340 -0.000 0.000 0.223 352 L C 2.338 179.226 176.870 0.030 0.000 1.132 352 L CA 0.311 55.162 54.840 0.019 0.000 0.850 352 L CB -0.160 41.908 42.059 0.016 0.000 0.966 352 L HN 0.232 nan 8.230 nan 0.000 0.454 353 A N 0.563 123.403 122.820 0.032 0.000 2.070 353 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 353 A C 2.328 179.928 177.584 0.026 0.000 1.159 353 A CA 1.090 53.148 52.037 0.034 0.000 0.656 353 A CB -0.362 18.657 19.000 0.032 0.000 0.800 353 A HN 0.354 nan 8.150 nan 0.000 0.453 354 R N -0.628 119.886 120.500 0.023 0.000 2.189 354 R HA 0.064 4.404 4.340 -0.000 0.000 0.223 354 R C 0.240 176.550 176.300 0.017 0.000 1.092 354 R CA 0.255 56.366 56.100 0.018 0.000 0.989 354 R CB -0.461 29.850 30.300 0.018 0.000 0.876 354 R HN 0.445 nan 8.270 nan 0.000 0.457 355 L N 0.559 121.793 121.223 0.019 0.000 2.475 355 L HA 0.114 4.454 4.340 -0.000 0.000 0.253 355 L C 1.068 177.951 176.870 0.022 0.000 1.198 355 L CA -0.474 54.376 54.840 0.016 0.000 0.814 355 L CB 0.442 42.508 42.059 0.012 0.000 1.134 355 L HN 0.119 nan 8.230 nan 0.000 0.478 356 T N -2.861 111.704 114.554 0.018 0.000 2.849 356 T HA 0.128 4.478 4.350 -0.000 0.000 0.284 356 T C 0.875 175.600 174.700 0.043 0.000 1.004 356 T CA -0.663 61.453 62.100 0.026 0.000 1.021 356 T CB 1.335 70.213 68.868 0.018 0.000 1.013 356 T HN 0.672 nan 8.240 nan 0.000 0.527 357 K N 0.438 120.879 120.400 0.069 0.000 2.044 357 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 357 K C 1.953 178.602 176.600 0.081 0.000 1.049 357 K CA 2.050 58.419 56.287 0.137 0.000 0.927 357 K CB -0.240 32.349 32.500 0.148 0.000 0.713 357 K HN 0.705 nan 8.250 nan 0.000 0.443 358 E N 0.679 120.895 120.200 0.028 0.000 2.110 358 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 358 E C 1.809 178.367 176.600 -0.071 0.000 0.988 358 E CA 1.500 57.882 56.400 -0.031 0.000 0.804 358 E CB 0.025 29.718 29.700 -0.011 0.000 0.745 358 E HN 0.423 nan 8.360 nan 0.000 0.458 359 E N 0.109 120.285 120.200 -0.040 0.000 2.106 359 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 359 E C 2.113 178.667 176.600 -0.076 0.000 0.984 359 E CA 0.638 57.010 56.400 -0.048 0.000 0.806 359 E CB -0.001 29.686 29.700 -0.021 0.000 0.750 359 E HN 0.128 nan 8.360 nan 0.000 0.458 360 R N 0.271 120.730 120.500 -0.067 0.000 2.073 360 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 360 R C 2.452 178.605 176.300 -0.246 0.000 1.120 360 R CA 0.654 56.704 56.100 -0.082 0.000 0.967 360 R CB -0.309 30.013 30.300 0.037 0.000 0.862 360 R HN 0.113 nan 8.270 nan 0.000 0.436 361 L N 1.873 122.828 121.223 -0.446 0.000 2.012 361 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 361 L C 2.202 178.852 176.870 -0.366 0.000 1.073 361 L CA 1.927 56.345 54.840 -0.703 0.000 0.748 361 L CB -0.481 41.118 42.059 -0.768 0.000 0.891 361 L HN 0.004 nan 8.230 nan 0.000 0.431 362 K N -0.527 119.735 120.400 -0.230 0.000 2.032 362 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 362 K C 2.192 178.704 176.600 -0.148 0.000 1.048 362 K CA 1.768 57.968 56.287 -0.147 0.000 0.927 362 K CB -0.109 32.335 32.500 -0.095 0.000 0.712 362 K HN 0.345 nan 8.250 nan 0.000 0.441 363 K N 0.206 120.516 120.400 -0.150 0.000 2.063 363 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 363 K C 2.118 178.580 176.600 -0.229 0.000 1.048 363 K CA 1.232 57.433 56.287 -0.143 0.000 0.928 363 K CB -0.124 32.313 32.500 -0.104 0.000 0.713 363 K HN 0.060 nan 8.250 nan 0.000 0.442 364 L N 0.767 121.796 121.223 -0.323 0.000 2.027 364 L HA -0.195 4.145 4.340 -0.000 0.000 0.206 364 L C 2.475 178.903 176.870 -0.737 0.000 1.074 364 L CA 1.505 55.978 54.840 -0.610 0.000 0.745 364 L CB -0.734 41.007 42.059 -0.531 0.000 0.898 364 L HN 0.229 nan 8.230 nan 0.000 0.433 365 C N -0.668 118.427 119.300 -0.342 0.000 2.429 365 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 365 C C 2.647 177.607 174.990 -0.050 0.000 1.262 365 C CA 0.602 59.571 59.018 -0.082 0.000 1.733 365 C CB -0.777 26.972 27.740 0.015 0.000 2.010 365 C HN 0.550 nan 8.230 nan 0.000 0.483 366 E N 0.300 120.443 120.200 -0.096 0.000 2.072 366 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 366 E C 2.004 178.568 176.600 -0.059 0.000 0.985 366 E CA 0.923 57.291 56.400 -0.053 0.000 0.801 366 E CB -0.279 29.390 29.700 -0.052 0.000 0.750 366 E HN 0.517 nan 8.360 nan 0.000 0.452 367 L N 0.483 121.624 121.223 -0.136 0.000 1.989 367 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 367 L C 2.052 178.927 176.870 0.007 0.000 1.071 367 L CA 1.772 56.545 54.840 -0.112 0.000 0.749 367 L CB -0.633 41.320 42.059 -0.177 0.000 0.890 367 L HN 0.205 nan 8.230 nan 0.000 0.431 368 Y N -0.744 119.540 120.300 -0.027 0.000 2.224 368 Y HA -0.242 4.308 4.550 -0.000 0.000 0.289 368 Y C 2.529 178.436 175.900 0.012 0.000 1.146 368 Y CA 0.299 58.386 58.100 -0.021 0.000 1.182 368 Y CB -0.538 37.949 38.460 0.045 0.000 0.983 368 Y HN 0.397 nan 8.280 nan 0.000 0.524 369 A N 0.610 123.538 122.820 0.180 0.000 1.902 369 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 369 A C 2.146 179.777 177.584 0.078 0.000 1.181 369 A CA 1.652 53.759 52.037 0.117 0.000 0.623 369 A CB -0.472 18.568 19.000 0.068 0.000 0.818 369 A HN 0.346 nan 8.150 nan 0.000 0.443 370 K N -0.558 119.865 120.400 0.038 0.000 2.002 370 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 370 K C 1.957 178.551 176.600 -0.010 0.000 1.048 370 K CA 1.597 57.894 56.287 0.017 0.000 0.930 370 K CB -0.395 32.095 32.500 -0.017 0.000 0.714 370 K HN 0.317 nan 8.250 nan 0.000 0.438 371 V N 1.696 121.542 119.914 -0.114 0.000 2.358 371 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 371 V C 2.095 178.131 176.094 -0.096 0.000 1.047 371 V CA 1.472 63.653 62.300 -0.197 0.000 1.035 371 V CB -0.311 31.342 31.823 -0.283 0.000 0.658 371 V HN 0.274 nan 8.190 nan 0.000 0.452 372 L N 0.388 121.592 121.223 -0.032 0.000 2.492 372 L HA 0.261 4.601 4.340 -0.000 0.000 0.223 372 L C 1.636 178.635 176.870 0.216 0.000 1.132 372 L CA 0.753 55.614 54.840 0.036 0.000 0.850 372 L CB -0.702 41.469 42.059 0.187 0.000 0.966 372 L HN 0.551 nan 8.230 nan 0.000 0.454 373 G N 0.787 109.676 108.800 0.148 0.000 2.323 373 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.292 373 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.292 373 G C -0.070 174.922 174.900 0.153 0.000 1.040 373 G CA 0.456 45.645 45.100 0.149 0.000 0.942 373 G HN 0.337 nan 8.290 nan 0.000 0.506 374 S N -0.812 114.970 115.700 0.136 0.000 2.677 374 S HA 0.458 4.928 4.470 -0.000 0.000 0.283 374 S C 1.170 175.748 174.600 -0.038 0.000 1.159 374 S CA -0.767 57.475 58.200 0.070 0.000 1.001 374 S CB 1.718 65.019 63.200 0.169 0.000 1.032 374 S HN 0.248 nan 8.310 nan 0.000 0.487 375 L N 1.979 123.156 121.223 -0.076 0.000 2.265 375 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 375 L C 2.165 178.922 176.870 -0.188 0.000 1.117 375 L CA 1.187 55.973 54.840 -0.090 0.000 0.782 375 L CB -0.350 41.672 42.059 -0.062 0.000 0.914 375 L HN 0.706 nan 8.230 nan 0.000 0.441 376 E N 0.488 120.445 120.200 -0.406 0.000 2.204 376 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 376 E C 2.252 178.444 176.600 -0.680 0.000 0.990 376 E CA 0.973 56.959 56.400 -0.690 0.000 0.821 376 E CB -0.137 28.808 29.700 -1.258 0.000 0.750 376 E HN 0.516 nan 8.360 nan 0.000 0.477 377 A N 0.879 123.401 122.820 -0.496 0.000 2.125 377 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 377 A C 1.950 179.703 177.584 0.282 0.000 1.156 377 A CA 0.784 52.835 52.037 0.024 0.000 0.671 377 A CB -0.340 18.818 19.000 0.264 0.000 0.794 377 A HN 0.168 nan 8.150 nan 0.000 0.459 378 L N -1.318 119.972 121.223 0.112 0.000 2.591 378 L HA 0.101 4.441 4.340 -0.000 0.000 0.228 378 L C 0.400 177.351 176.870 0.136 0.000 1.133 378 L CA 0.320 55.226 54.840 0.111 0.000 0.880 378 L CB 0.009 42.089 42.059 0.036 0.000 1.033 378 L HN 0.222 nan 8.230 nan 0.000 0.450 379 E N 0.808 121.135 120.200 0.212 0.000 3.588 379 E HA 0.186 4.536 4.350 -0.000 0.000 0.213 379 E C -2.246 174.524 176.600 0.283 0.000 1.168 379 E CA -1.762 54.751 56.400 0.189 0.000 1.254 379 E CB 0.617 30.384 29.700 0.110 0.000 1.302 379 E HN 0.052 nan 8.360 nan 0.000 0.429 380 P HA -0.033 nan 4.420 nan 0.000 0.271 380 P C 0.771 178.106 177.300 0.059 0.000 1.218 380 P CA -0.062 63.011 63.100 -0.044 0.000 0.780 380 P CB 1.631 33.260 31.700 -0.118 0.000 0.901 381 V N -1.694 118.273 119.914 0.089 0.000 3.644 381 V HA 0.302 4.422 4.120 -0.000 0.000 0.267 381 V C 0.453 176.680 176.094 0.222 0.000 1.277 381 V CA 0.796 63.185 62.300 0.147 0.000 1.096 381 V CB -1.211 30.702 31.823 0.150 0.000 0.828 381 V HN 0.682 nan 8.190 nan 0.000 0.446 382 H N -1.216 117.925 119.070 0.118 0.000 2.987 382 H HA 0.607 5.163 4.556 -0.000 0.000 0.316 382 H C -2.322 173.215 175.328 0.349 0.000 1.380 382 H CA -0.718 55.419 56.048 0.148 0.000 1.160 382 H CB 1.812 31.562 29.762 -0.021 0.000 1.865 382 H HN 0.145 nan 8.280 nan 0.000 0.521 383 Y N 1.592 121.632 120.300 -0.433 0.000 2.479 383 Y HA 0.518 5.068 4.550 -0.000 0.000 0.338 383 Y C -1.687 174.079 175.900 -0.222 0.000 1.055 383 Y CA -0.636 57.379 58.100 -0.142 0.000 1.023 383 Y CB 1.712 40.106 38.460 -0.109 0.000 1.287 383 Y HN 0.622 nan 8.280 nan 0.000 0.447 384 E N 4.302 124.240 120.200 -0.436 0.000 2.317 384 E HA 0.444 4.794 4.350 -0.000 0.000 0.270 384 E C -1.463 174.769 176.600 -0.613 0.000 0.885 384 E CA -0.782 55.375 56.400 -0.405 0.000 0.760 384 E CB 2.747 32.448 29.700 0.002 0.000 1.227 384 E HN 0.771 nan 8.360 nan 0.000 0.434 385 E N 0.267 120.223 120.200 -0.407 0.000 2.407 385 E HA 0.657 5.007 4.350 -0.000 0.000 0.279 385 E C -1.260 175.304 176.600 -0.060 0.000 1.012 385 E CA -1.062 55.201 56.400 -0.229 0.000 0.800 385 E CB 2.475 32.016 29.700 -0.265 0.000 1.276 385 E HN 0.185 nan 8.360 nan 0.000 0.452 386 K N 1.370 121.791 120.400 0.035 0.000 2.581 386 K HA 0.289 4.609 4.320 -0.000 0.000 0.249 386 K C -1.627 174.964 176.600 -0.015 0.000 0.966 386 K CA -0.712 55.542 56.287 -0.055 0.000 0.811 386 K CB 1.516 33.947 32.500 -0.115 0.000 1.223 386 K HN 0.499 nan 8.250 nan 0.000 0.438 387 N N 4.200 122.844 118.700 -0.093 0.000 2.437 387 N HA 0.113 4.853 4.740 -0.000 0.000 0.243 387 N C -0.336 175.126 175.510 -0.081 0.000 1.041 387 N CA -0.381 52.670 53.050 0.002 0.000 0.940 387 N CB 0.331 38.823 38.487 0.008 0.000 1.133 387 N HN 0.669 nan 8.380 nan 0.000 0.506 388 W N 2.173 123.516 121.300 0.071 0.000 2.800 388 W HA 0.073 4.733 4.660 -0.000 0.000 0.249 388 W C 1.935 178.473 176.519 0.033 0.000 1.294 388 W CA -0.105 57.276 57.345 0.060 0.000 1.402 388 W CB -0.126 29.386 29.460 0.085 0.000 1.126 388 W HN 0.588 nan 8.180 nan 0.000 0.652 389 C N 0.456 119.863 119.300 0.179 0.000 2.432 389 C HA -0.154 4.306 4.460 -0.000 0.000 0.282 389 C C 2.311 177.328 174.990 0.046 0.000 1.388 389 C CA 1.385 60.464 59.018 0.102 0.000 1.777 389 C CB -1.462 26.322 27.740 0.073 0.000 1.882 389 C HN 0.489 nan 8.230 nan 0.000 0.520 390 E N 0.739 120.944 120.200 0.009 0.000 2.489 390 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 390 E C -0.098 176.473 176.600 -0.048 0.000 1.057 390 E CA 0.335 56.716 56.400 -0.031 0.000 0.866 390 E CB -0.160 29.507 29.700 -0.055 0.000 0.916 390 E HN 0.488 nan 8.360 nan 0.000 0.500 391 E N 2.208 122.397 120.200 -0.018 0.000 2.052 391 E HA -0.011 4.339 4.350 -0.000 0.000 0.283 391 E C 0.484 177.067 176.600 -0.027 0.000 1.071 391 E CA -0.016 56.377 56.400 -0.012 0.000 0.851 391 E CB 1.491 31.238 29.700 0.078 0.000 1.066 391 E HN 0.356 nan 8.360 nan 0.000 0.396 392 Q N 2.937 122.661 119.800 -0.127 0.000 2.135 392 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 392 Q C 0.357 176.117 176.000 -0.400 0.000 0.981 392 Q CA 1.660 57.269 55.803 -0.322 0.000 0.856 392 Q CB 0.095 28.516 28.738 -0.528 0.000 0.902 392 Q HN 0.596 nan 8.270 nan 0.000 0.425 393 Y N -1.110 119.220 120.300 0.048 0.000 2.524 393 Y HA 0.250 4.800 4.550 -0.000 0.000 0.266 393 Y C 1.574 177.535 175.900 0.102 0.000 1.180 393 Y CA -0.245 57.894 58.100 0.065 0.000 1.244 393 Y CB 0.932 39.422 38.460 0.051 0.000 1.125 393 Y HN 0.076 nan 8.280 nan 0.000 0.524 394 S N -1.597 114.229 115.700 0.211 0.000 2.807 394 S HA 0.272 4.742 4.470 -0.000 0.000 0.247 394 S C 1.886 176.569 174.600 0.139 0.000 1.078 394 S CA 0.602 58.934 58.200 0.221 0.000 0.867 394 S CB 0.491 63.910 63.200 0.366 0.000 0.797 394 S HN 0.537 nan 8.310 nan 0.000 0.515 395 G N 1.061 109.921 108.800 0.100 0.000 2.225 395 G HA2 0.044 4.004 3.960 -0.000 0.000 0.254 395 G HA3 0.044 4.004 3.960 -0.000 0.000 0.254 395 G C 0.495 175.440 174.900 0.074 0.000 0.988 395 G CA 0.132 45.262 45.100 0.050 0.000 0.625 395 G HN 1.358 nan 8.290 nan 0.000 0.527 396 G N -2.388 106.497 108.800 0.142 0.000 2.352 396 G HA2 0.519 4.479 3.960 -0.000 0.000 0.283 396 G HA3 0.519 4.479 3.960 -0.000 0.000 0.283 396 G C -0.998 173.984 174.900 0.138 0.000 1.308 396 G CA 0.320 45.511 45.100 0.151 0.000 0.892 396 G HN 1.451 nan 8.290 nan 0.000 0.504 397 C N -1.634 117.693 119.300 0.045 0.000 3.311 397 C HA 0.595 5.055 4.460 -0.000 0.000 0.325 397 C C 0.774 175.608 174.990 -0.260 0.000 1.352 397 C CA -0.630 58.341 59.018 -0.078 0.000 1.308 397 C CB 0.798 28.400 27.740 -0.230 0.000 1.619 397 C HN 0.725 nan 8.230 nan 0.000 0.469 398 Y N 0.549 120.774 120.300 -0.125 0.000 2.337 398 Y HA 0.218 4.768 4.550 -0.000 0.000 0.293 398 Y C 1.575 177.438 175.900 -0.061 0.000 1.123 398 Y CA 1.143 59.143 58.100 -0.167 0.000 1.201 398 Y CB -0.423 37.913 38.460 -0.208 0.000 1.011 398 Y HN 0.683 nan 8.280 nan 0.000 0.545 399 T N -1.915 112.716 114.554 0.129 0.000 2.671 399 T HA 0.344 4.694 4.350 -0.000 0.000 0.300 399 T C -0.823 173.978 174.700 0.169 0.000 1.238 399 T CA -0.706 61.513 62.100 0.198 0.000 1.020 399 T CB 1.071 70.150 68.868 0.352 0.000 1.503 399 T HN -0.156 nan 8.240 nan 0.000 0.497 400 T N 2.612 117.284 114.554 0.197 0.000 2.832 400 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 400 T C -0.829 173.888 174.700 0.029 0.000 0.968 400 T CA 0.026 62.146 62.100 0.033 0.000 1.107 400 T CB -0.385 68.494 68.868 0.018 0.000 0.916 400 T HN 0.464 nan 8.240 nan 0.000 0.517 401 Y N 0.993 121.062 120.300 -0.384 0.000 2.528 401 Y HA 0.794 5.344 4.550 -0.000 0.000 0.335 401 Y C -1.272 174.054 175.900 -0.957 0.000 1.093 401 Y CA -2.239 55.255 58.100 -1.011 0.000 1.134 401 Y CB 0.778 38.782 38.460 -0.759 0.000 1.253 401 Y HN 0.400 nan 8.280 nan 0.000 0.478 402 F N 3.292 122.475 119.950 -1.278 0.000 2.402 402 F HA 0.561 5.088 4.527 -0.000 0.000 0.355 402 F C -2.326 173.369 175.800 -0.174 0.000 1.123 402 F CA -2.757 54.871 58.000 -0.620 0.000 1.021 402 F CB 1.476 40.171 39.000 -0.509 0.000 1.160 402 F HN 0.359 nan 8.300 nan 0.000 0.451 403 P HA 0.117 nan 4.420 nan 0.000 0.272 403 P C -2.545 174.849 177.300 0.157 0.000 1.240 403 P CA -1.179 61.995 63.100 0.124 0.000 0.791 403 P CB -0.127 31.595 31.700 0.036 0.000 0.978 404 P HA -0.015 nan 4.420 nan 0.000 0.265 404 P C 0.877 178.266 177.300 0.148 0.000 1.193 404 P CA 1.131 64.330 63.100 0.165 0.000 0.765 404 P CB 0.009 31.790 31.700 0.135 0.000 0.823 405 G N 2.724 111.625 108.800 0.169 0.000 2.217 405 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G C 0.782 175.798 174.900 0.194 0.000 0.990 405 G CA 0.096 45.288 45.100 0.153 0.000 0.627 405 G HN 0.429 nan 8.290 nan 0.000 0.522 406 I N 0.129 120.845 120.570 0.244 0.000 2.429 406 I HA 0.177 4.347 4.170 -0.000 0.000 0.247 406 I C 2.623 178.988 176.117 0.413 0.000 1.099 406 I CA 1.207 62.709 61.300 0.336 0.000 1.422 406 I CB -1.231 36.887 38.000 0.197 0.000 1.112 406 I HN 0.263 nan 8.210 nan 0.000 0.430 407 L N 1.196 122.650 121.223 0.385 0.000 2.042 407 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 407 L C 2.685 179.639 176.870 0.141 0.000 1.076 407 L CA 2.582 57.526 54.840 0.173 0.000 0.749 407 L CB -1.009 41.049 42.059 -0.001 0.000 0.893 407 L HN 0.445 nan 8.230 nan 0.000 0.432 408 T N -4.074 110.569 114.554 0.148 0.000 2.777 408 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 408 T C 1.822 176.493 174.700 -0.049 0.000 1.040 408 T CA 1.119 63.279 62.100 0.100 0.000 1.141 408 T CB -0.389 68.537 68.868 0.097 0.000 0.868 408 T HN 0.367 nan 8.240 nan 0.000 0.444 409 Q N -0.046 119.716 119.800 -0.064 0.000 2.137 409 Q HA 0.086 4.426 4.340 -0.000 0.000 0.198 409 Q C 1.260 176.929 176.000 -0.551 0.000 0.960 409 Q CA 1.241 56.856 55.803 -0.314 0.000 0.847 409 Q CB -0.032 28.499 28.738 -0.345 0.000 0.915 409 Q HN 0.784 nan 8.270 nan 0.000 0.448 410 Y N -1.789 118.452 120.300 -0.098 0.000 2.471 410 Y HA 0.266 4.816 4.550 -0.000 0.000 0.249 410 Y C 2.023 177.817 175.900 -0.176 0.000 1.116 410 Y CA 0.097 58.121 58.100 -0.125 0.000 1.240 410 Y CB 0.247 38.670 38.460 -0.061 0.000 1.251 410 Y HN 0.083 nan 8.280 nan 0.000 0.527 411 G N 1.559 110.302 108.800 -0.095 0.000 2.450 411 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 411 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 411 G C 1.756 176.261 174.900 -0.657 0.000 1.130 411 G CA 1.018 45.997 45.100 -0.201 0.000 0.760 411 G HN 0.388 nan 8.290 nan 0.000 0.557 412 R N 0.759 120.566 120.500 -1.155 0.000 2.237 412 R HA 0.012 4.352 4.340 -0.000 0.000 0.219 412 R C 2.015 178.059 176.300 -0.427 0.000 1.080 412 R CA 1.545 56.944 56.100 -1.169 0.000 0.995 412 R CB -0.671 28.913 30.300 -1.193 0.000 0.875 412 R HN 0.513 nan 8.270 nan 0.000 0.462 413 V N -2.183 117.556 119.914 -0.291 0.000 3.608 413 V HA 0.091 4.211 4.120 -0.000 0.000 0.269 413 V C 2.134 178.123 176.094 -0.175 0.000 1.245 413 V CA 0.154 62.345 62.300 -0.182 0.000 1.138 413 V CB -0.342 31.386 31.823 -0.159 0.000 0.841 413 V HN 0.134 nan 8.190 nan 0.000 0.451 414 L N 1.647 122.805 121.223 -0.109 0.000 1.997 414 L HA -0.189 4.151 4.340 -0.000 0.000 0.216 414 L C 2.838 179.655 176.870 -0.090 0.000 1.074 414 L CA 2.796 57.596 54.840 -0.068 0.000 0.763 414 L CB -0.150 41.973 42.059 0.107 0.000 0.890 414 L HN 0.545 nan 8.230 nan 0.000 0.434 415 R N -0.601 119.944 120.500 0.076 0.000 2.507 415 R HA 0.126 4.466 4.340 -0.000 0.000 0.298 415 R C 0.565 177.008 176.300 0.239 0.000 0.999 415 R CA -0.212 56.018 56.100 0.216 0.000 1.082 415 R CB -0.056 30.434 30.300 0.317 0.000 1.246 415 R HN 0.263 nan 8.270 nan 0.000 0.553 416 Q N 2.666 122.527 119.800 0.102 0.000 2.286 416 Q HA 0.205 4.545 4.340 -0.000 0.000 0.267 416 Q C -2.117 173.988 176.000 0.175 0.000 1.028 416 Q CA -2.156 53.707 55.803 0.100 0.000 0.901 416 Q CB 0.894 29.634 28.738 0.003 0.000 1.183 416 Q HN 0.039 nan 8.270 nan 0.000 0.392 417 P HA -0.051 nan 4.420 nan 0.000 0.267 417 P C -1.236 176.064 177.300 0.000 0.000 1.200 417 P CA -0.041 63.002 63.100 -0.096 0.000 0.772 417 P CB 0.645 32.007 31.700 -0.564 0.000 0.855 418 V N 3.478 123.412 119.914 0.034 0.000 2.257 418 V HA 0.156 4.276 4.120 -0.000 0.000 0.269 418 V C 0.675 176.741 176.094 -0.047 0.000 1.040 418 V CA 0.174 62.490 62.300 0.026 0.000 0.813 418 V CB -0.032 31.851 31.823 0.100 0.000 1.065 418 V HN 0.796 nan 8.190 nan 0.000 0.457 419 D N 4.048 124.418 120.400 -0.049 0.000 4.438 419 D HA -0.295 4.345 4.640 -0.000 0.000 0.158 419 D C 1.303 177.596 176.300 -0.011 0.000 0.686 419 D CA 2.283 56.273 54.000 -0.016 0.000 1.183 419 D CB -0.306 40.497 40.800 0.005 0.000 0.623 419 D HN 0.546 nan 8.370 nan 0.000 0.521 420 R N -0.032 120.489 120.500 0.035 0.000 2.468 420 R HA 0.452 4.792 4.340 -0.000 0.000 0.280 420 R C -0.214 176.200 176.300 0.192 0.000 0.963 420 R CA -0.125 56.093 56.100 0.196 0.000 1.083 420 R CB 0.348 30.698 30.300 0.084 0.000 1.200 420 R HN 0.283 nan 8.270 nan 0.000 0.541 421 I N 1.190 121.717 120.570 -0.073 0.000 2.321 421 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 421 I C -0.616 175.167 176.117 -0.556 0.000 0.998 421 I CA -0.740 60.435 61.300 -0.208 0.000 1.227 421 I CB 0.728 38.574 38.000 -0.257 0.000 1.368 421 I HN -0.079 nan 8.210 nan 0.000 0.466 422 Y N 5.347 125.416 120.300 -0.386 0.000 2.457 422 Y HA 0.529 5.079 4.550 -0.000 0.000 0.333 422 Y C -0.506 175.076 175.900 -0.529 0.000 1.119 422 Y CA -0.735 57.172 58.100 -0.322 0.000 1.143 422 Y CB 1.415 39.803 38.460 -0.120 0.000 1.230 422 Y HN 0.289 nan 8.280 nan 0.000 0.469 423 F N 1.420 121.476 119.950 0.177 0.000 2.403 423 F HA 0.697 5.224 4.527 -0.000 0.000 0.355 423 F C 0.419 176.298 175.800 0.131 0.000 1.119 423 F CA -0.560 57.519 58.000 0.133 0.000 1.007 423 F CB 0.974 40.036 39.000 0.103 0.000 1.194 423 F HN 0.606 nan 8.300 nan 0.000 0.443 424 A N 2.343 125.308 122.820 0.242 0.000 3.444 424 A HA 0.954 5.274 4.320 -0.000 0.000 0.189 424 A C 0.388 178.102 177.584 0.217 0.000 1.542 424 A CA -0.397 51.750 52.037 0.183 0.000 0.867 424 A CB -0.005 19.060 19.000 0.108 0.000 1.712 424 A HN 1.447 nan 8.150 nan 0.000 0.556 425 G N -2.490 106.417 108.800 0.179 0.000 2.785 425 G HA2 0.087 4.047 3.960 -0.000 0.000 0.686 425 G HA3 0.087 4.047 3.960 -0.000 0.000 0.686 425 G C 0.416 175.448 174.900 0.221 0.000 1.155 425 G CA 0.595 45.810 45.100 0.192 0.000 0.760 425 G HN 1.530 nan 8.290 nan 0.000 0.624 426 T N 0.270 114.956 114.554 0.219 0.000 2.849 426 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 426 T C 2.111 177.014 174.700 0.337 0.000 1.066 426 T CA 2.675 64.931 62.100 0.261 0.000 1.130 426 T CB -0.164 68.853 68.868 0.248 0.000 0.864 426 T HN 0.623 nan 8.240 nan 0.000 0.481 427 E N 0.467 120.872 120.200 0.342 0.000 2.265 427 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 427 E C 2.249 179.111 176.600 0.436 0.000 0.996 427 E CA 1.542 58.198 56.400 0.426 0.000 0.832 427 E CB -0.183 29.732 29.700 0.358 0.000 0.756 427 E HN 0.704 nan 8.360 nan 0.000 0.491 428 T N -2.452 112.320 114.554 0.363 0.000 3.107 428 T HA 0.432 4.782 4.350 -0.000 0.000 0.249 428 T C 0.819 175.760 174.700 0.402 0.000 1.096 428 T CA 0.040 62.357 62.100 0.361 0.000 1.012 428 T CB 0.170 69.228 68.868 0.316 0.000 0.977 428 T HN 0.100 nan 8.240 nan 0.000 0.527 429 A N 1.728 124.789 122.820 0.401 0.000 2.296 429 A HA 0.556 4.876 4.320 -0.000 0.000 0.264 429 A C 1.507 179.360 177.584 0.448 0.000 1.097 429 A CA 0.110 52.386 52.037 0.397 0.000 0.811 429 A CB 0.350 19.543 19.000 0.322 0.000 1.072 429 A HN 0.498 nan 8.150 nan 0.000 0.495 430 T N -2.867 111.929 114.554 0.403 0.000 3.003 430 T HA 0.246 4.596 4.350 -0.000 0.000 0.261 430 T C 0.205 175.013 174.700 0.180 0.000 1.003 430 T CA 0.611 62.901 62.100 0.317 0.000 0.917 430 T CB -0.395 68.601 68.868 0.212 0.000 1.084 430 T HN 0.750 nan 8.240 nan 0.000 0.522 431 H N -0.998 118.105 119.070 0.055 0.000 2.934 431 H HA 0.284 4.840 4.556 -0.000 0.000 0.340 431 H C -0.963 174.390 175.328 0.042 0.000 1.008 431 H CA -1.112 54.894 56.048 -0.071 0.000 1.317 431 H CB 0.898 30.672 29.762 0.021 0.000 1.670 431 H HN 0.304 nan 8.280 nan 0.000 0.516 432 W N 2.174 123.254 121.300 -0.367 0.000 5.538 432 W HA -0.254 4.406 4.660 0.000 0.000 0.377 432 W C 0.519 176.994 176.519 -0.073 0.000 1.406 432 W CA 0.951 58.043 57.345 -0.421 0.000 0.940 432 W CB -1.711 27.418 29.460 -0.552 0.000 2.536 432 W HN 0.403 nan 8.180 nan 0.000 1.504 433 S N 0.539 116.290 115.700 0.086 0.000 2.558 433 S HA 0.369 4.839 4.470 -0.000 0.000 0.293 433 S C 1.422 176.244 174.600 0.371 0.000 1.292 433 S CA 1.764 60.121 58.200 0.261 0.000 1.063 433 S CB 0.760 64.168 63.200 0.347 0.000 0.831 433 S HN 1.433 nan 8.310 nan 0.000 0.499 434 G N 3.128 112.212 108.800 0.474 0.000 2.232 434 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.226 434 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.226 434 G C -0.205 174.812 174.900 0.196 0.000 0.996 434 G CA 0.225 45.604 45.100 0.465 0.000 0.626 434 G HN 0.693 nan 8.290 nan 0.000 0.509 435 Y N -0.278 120.146 120.300 0.207 0.000 2.602 435 Y HA 0.714 5.263 4.550 -0.000 0.000 0.330 435 Y C 1.989 177.934 175.900 0.076 0.000 1.114 435 Y CA -0.743 57.426 58.100 0.116 0.000 1.182 435 Y CB 0.891 39.408 38.460 0.095 0.000 1.305 435 Y HN -0.019 nan 8.280 nan 0.000 0.502 436 M N -0.071 119.636 119.600 0.178 0.000 2.144 436 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 436 M C 1.852 178.215 176.300 0.105 0.000 1.067 436 M CA 2.002 57.373 55.300 0.118 0.000 1.095 436 M CB -0.240 32.422 32.600 0.104 0.000 1.365 436 M HN 0.788 nan 8.290 nan 0.000 0.406 437 E N 0.690 120.929 120.200 0.066 0.000 2.058 437 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 437 E C 1.953 178.615 176.600 0.103 0.000 0.997 437 E CA 2.062 58.466 56.400 0.006 0.000 0.801 437 E CB -0.663 28.909 29.700 -0.213 0.000 0.746 437 E HN 0.432 nan 8.360 nan 0.000 0.450 438 G N -0.035 108.879 108.800 0.190 0.000 2.422 438 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 438 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 438 G C 1.694 176.711 174.900 0.195 0.000 1.140 438 G CA 0.962 46.196 45.100 0.223 0.000 0.775 438 G HN 0.468 nan 8.290 nan 0.000 0.545 439 A N 0.369 123.292 122.820 0.172 0.000 1.883 439 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 439 A C 2.614 180.261 177.584 0.106 0.000 1.186 439 A CA 1.999 54.120 52.037 0.139 0.000 0.624 439 A CB -0.708 18.363 19.000 0.118 0.000 0.822 439 A HN 0.263 nan 8.150 nan 0.000 0.444 440 V N 0.111 120.079 119.914 0.089 0.000 2.295 440 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 440 V C 2.549 178.683 176.094 0.066 0.000 1.049 440 V CA 2.233 64.571 62.300 0.063 0.000 1.024 440 V CB -0.832 31.021 31.823 0.050 0.000 0.648 440 V HN 0.753 nan 8.190 nan 0.000 0.447 441 E N 0.486 120.744 120.200 0.097 0.000 2.070 441 E HA -0.299 4.051 4.350 -0.000 0.000 0.197 441 E C 2.207 178.848 176.600 0.067 0.000 1.004 441 E CA 1.883 58.349 56.400 0.110 0.000 0.805 441 E CB -0.191 29.623 29.700 0.190 0.000 0.744 441 E HN 0.554 nan 8.360 nan 0.000 0.451 442 A N 0.617 123.499 122.820 0.103 0.000 1.898 442 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 442 A C 2.416 180.021 177.584 0.035 0.000 1.181 442 A CA 1.628 53.717 52.037 0.086 0.000 0.620 442 A CB -1.003 18.096 19.000 0.165 0.000 0.819 442 A HN 0.451 nan 8.150 nan 0.000 0.442 443 G N -0.243 108.583 108.800 0.044 0.000 2.421 443 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 443 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 443 G C 1.427 176.313 174.900 -0.024 0.000 1.171 443 G CA 0.973 46.085 45.100 0.020 0.000 0.775 443 G HN 0.643 nan 8.290 nan 0.000 0.543 444 E N -0.156 120.026 120.200 -0.030 0.000 2.106 444 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 444 E C 2.520 179.047 176.600 -0.122 0.000 0.984 444 E CA 0.374 56.740 56.400 -0.057 0.000 0.806 444 E CB -0.117 29.565 29.700 -0.030 0.000 0.750 444 E HN 0.315 nan 8.360 nan 0.000 0.458 445 R N 1.149 121.540 120.500 -0.181 0.000 2.075 445 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 445 R C 2.203 178.327 176.300 -0.293 0.000 1.126 445 R CA 1.335 57.212 56.100 -0.371 0.000 0.963 445 R CB -0.218 29.680 30.300 -0.670 0.000 0.858 445 R HN 0.134 nan 8.270 nan 0.000 0.435 446 A N 1.051 123.772 122.820 -0.165 0.000 1.877 446 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 446 A C 2.429 179.911 177.584 -0.171 0.000 1.186 446 A CA 1.757 53.739 52.037 -0.092 0.000 0.620 446 A CB -0.803 18.201 19.000 0.006 0.000 0.822 446 A HN 0.535 nan 8.150 nan 0.000 0.443 447 A N -0.132 122.601 122.820 -0.145 0.000 1.917 447 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 447 A C 2.258 179.718 177.584 -0.207 0.000 1.182 447 A CA 1.761 53.702 52.037 -0.160 0.000 0.633 447 A CB -0.499 18.441 19.000 -0.099 0.000 0.819 447 A HN 0.566 nan 8.150 nan 0.000 0.448 448 R N -0.583 119.803 120.500 -0.190 0.000 2.148 448 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 448 R C 2.035 178.220 176.300 -0.193 0.000 1.088 448 R CA 1.177 57.173 56.100 -0.173 0.000 0.985 448 R CB -0.250 29.957 30.300 -0.155 0.000 0.880 448 R HN 0.691 nan 8.270 nan 0.000 0.451 449 E N 0.739 120.789 120.200 -0.250 0.000 2.077 449 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 449 E C 1.967 178.277 176.600 -0.484 0.000 0.989 449 E CA 1.127 57.383 56.400 -0.241 0.000 0.800 449 E CB -0.103 29.511 29.700 -0.143 0.000 0.746 449 E HN 0.332 nan 8.360 nan 0.000 0.452 450 I N 1.022 121.155 120.570 -0.729 0.000 2.202 450 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 450 I C 2.360 178.143 176.117 -0.557 0.000 1.091 450 I CA 0.889 61.642 61.300 -0.913 0.000 1.368 450 I CB -0.194 37.303 38.000 -0.840 0.000 1.058 450 I HN 0.104 nan 8.210 nan 0.000 0.410 451 L N 0.001 121.030 121.223 -0.324 0.000 2.043 451 L HA -0.306 4.034 4.340 -0.000 0.000 0.212 451 L C 2.731 179.527 176.870 -0.124 0.000 1.075 451 L CA 1.821 56.550 54.840 -0.184 0.000 0.752 451 L CB -0.980 41.011 42.059 -0.113 0.000 0.891 451 L HN 0.386 nan 8.230 nan 0.000 0.432 452 H N 0.033 118.993 119.070 -0.183 0.000 2.357 452 H HA -0.093 4.463 4.556 -0.000 0.000 0.301 452 H C 2.120 177.390 175.328 -0.097 0.000 1.082 452 H CA 1.447 57.430 56.048 -0.108 0.000 1.342 452 H CB 0.035 29.754 29.762 -0.073 0.000 1.389 452 H HN 0.252 nan 8.280 nan 0.000 0.511 453 A N 0.541 123.190 122.820 -0.285 0.000 2.024 453 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 453 A C 2.241 179.727 177.584 -0.163 0.000 1.164 453 A CA 1.719 53.609 52.037 -0.246 0.000 0.643 453 A CB -0.630 18.231 19.000 -0.232 0.000 0.806 453 A HN 0.580 nan 8.150 nan 0.000 0.451 454 M N -1.516 117.971 119.600 -0.190 0.000 2.561 454 M HA 0.157 4.637 4.480 -0.000 0.000 0.238 454 M C 1.369 177.629 176.300 -0.067 0.000 1.131 454 M CA 0.752 56.014 55.300 -0.063 0.000 1.046 454 M CB 0.179 32.744 32.600 -0.059 0.000 1.532 454 M HN 0.619 nan 8.290 nan 0.000 0.497 455 G N 1.095 109.818 108.800 -0.129 0.000 2.143 455 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.249 455 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.249 455 G C 0.898 175.768 174.900 -0.049 0.000 0.981 455 G CA 0.417 45.458 45.100 -0.098 0.000 0.665 455 G HN 0.464 nan 8.290 nan 0.000 0.528 456 K N -0.374 119.997 120.400 -0.048 0.000 2.305 456 K HA 0.305 4.625 4.320 -0.000 0.000 0.199 456 K C 1.349 177.949 176.600 -0.001 0.000 1.047 456 K CA 1.299 57.572 56.287 -0.024 0.000 0.976 456 K CB 0.348 32.826 32.500 -0.037 0.000 0.765 456 K HN 0.828 nan 8.250 nan 0.000 0.474 457 I N -1.782 118.804 120.570 0.026 0.000 2.894 457 I HA 0.439 4.609 4.170 -0.000 0.000 0.302 457 I C -3.017 173.188 176.117 0.146 0.000 1.188 457 I CA -2.941 58.394 61.300 0.058 0.000 1.014 457 I CB 2.450 40.470 38.000 0.034 0.000 1.242 457 I HN -0.261 nan 8.210 nan 0.000 0.430 458 P HA 0.103 nan 4.420 nan 0.000 0.274 458 P C 0.243 177.581 177.300 0.063 0.000 1.237 458 P CA 0.007 63.192 63.100 0.142 0.000 0.793 458 P CB 1.154 32.897 31.700 0.072 0.000 0.977 459 E N 0.679 120.839 120.200 -0.068 0.000 2.130 459 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 459 E C 1.175 177.697 176.600 -0.130 0.000 0.998 459 E CA 1.557 57.717 56.400 -0.400 0.000 0.806 459 E CB -0.250 29.291 29.700 -0.265 0.000 0.738 459 E HN 0.399 nan 8.360 nan 0.000 0.459 460 D N 0.377 120.760 120.400 -0.029 0.000 2.220 460 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 460 D C 1.085 177.409 176.300 0.040 0.000 1.001 460 D CA 1.310 55.322 54.000 0.020 0.000 0.875 460 D CB 0.047 40.861 40.800 0.025 0.000 0.921 460 D HN 0.315 nan 8.370 nan 0.000 0.454 461 E N -1.171 119.040 120.200 0.019 0.000 2.481 461 E HA 0.149 4.499 4.350 -0.000 0.000 0.198 461 E C 1.863 178.465 176.600 0.003 0.000 1.027 461 E CA -0.307 56.107 56.400 0.025 0.000 0.900 461 E CB 0.465 30.175 29.700 0.017 0.000 0.993 461 E HN 0.364 nan 8.360 nan 0.000 0.482 462 I N 0.016 120.577 120.570 -0.016 0.000 2.179 462 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 462 I C 0.449 176.448 176.117 -0.197 0.000 1.088 462 I CA 1.203 62.431 61.300 -0.118 0.000 1.357 462 I CB 0.064 37.988 38.000 -0.128 0.000 1.051 462 I HN 0.118 nan 8.210 nan 0.000 0.409 463 W N 1.214 122.513 121.300 -0.001 0.000 2.349 463 W HA 0.532 5.192 4.660 -0.000 0.000 0.309 463 W C -0.025 176.502 176.519 0.014 0.000 1.083 463 W CA -0.258 57.097 57.345 0.018 0.000 1.224 463 W CB 0.775 30.247 29.460 0.022 0.000 1.256 463 W HN -0.078 nan 8.180 nan 0.000 0.461 464 Q N 2.262 122.187 119.800 0.208 0.000 2.321 464 Q HA 0.396 4.736 4.340 -0.000 0.000 0.270 464 Q C 0.111 176.190 176.000 0.131 0.000 1.032 464 Q CA -0.520 55.359 55.803 0.128 0.000 0.784 464 Q CB 1.738 30.516 28.738 0.067 0.000 1.264 464 Q HN 0.539 nan 8.270 nan 0.000 0.448 465 S N 2.166 117.928 115.700 0.103 0.000 2.593 465 S HA 0.306 4.776 4.470 -0.000 0.000 0.269 465 S C -0.177 174.469 174.600 0.077 0.000 1.334 465 S CA -0.570 57.682 58.200 0.088 0.000 1.015 465 S CB 1.311 64.546 63.200 0.059 0.000 0.912 465 S HN 0.628 nan 8.310 nan 0.000 0.541 466 E N 1.037 121.285 120.200 0.079 0.000 2.199 466 E HA 0.575 4.925 4.350 -0.000 0.000 0.265 466 E C -2.767 173.867 176.600 0.055 0.000 0.882 466 E CA -2.160 54.281 56.400 0.069 0.000 0.759 466 E CB 0.984 30.735 29.700 0.084 0.000 1.148 466 E HN 0.547 nan 8.360 nan 0.000 0.412 467 P HA 0.068 nan 4.420 nan 0.000 0.268 467 P C -0.802 176.518 177.300 0.034 0.000 1.205 467 P CA -0.191 62.929 63.100 0.033 0.000 0.771 467 P CB 0.519 32.234 31.700 0.026 0.000 0.858 468 E N 1.672 121.891 120.200 0.031 0.000 2.384 468 E HA 0.083 4.433 4.350 -0.000 0.000 0.266 468 E C -0.122 176.490 176.600 0.021 0.000 1.012 468 E CA -0.311 56.106 56.400 0.029 0.000 0.901 468 E CB 0.407 30.122 29.700 0.025 0.000 0.967 468 E HN 0.374 nan 8.360 nan 0.000 0.435 469 S N 3.009 118.719 115.700 0.016 0.000 2.546 469 S HA -0.051 4.419 4.470 -0.000 0.000 0.290 469 S C 1.159 175.764 174.600 0.009 0.000 1.290 469 S CA -0.074 58.133 58.200 0.011 0.000 1.069 469 S CB 0.807 64.008 63.200 0.002 0.000 0.846 469 S HN 0.544 nan 8.310 nan 0.000 0.495 470 V N 2.063 121.984 119.914 0.012 0.000 2.951 470 V HA 0.056 4.176 4.120 -0.000 0.000 0.255 470 V C 1.492 177.591 176.094 0.009 0.000 1.088 470 V CA 1.481 63.787 62.300 0.010 0.000 1.109 470 V CB -0.558 31.272 31.823 0.012 0.000 0.724 470 V HN 0.831 nan 8.190 nan 0.000 0.471 471 D N 1.082 121.488 120.400 0.010 0.000 2.213 471 D HA 0.069 4.709 4.640 -0.000 0.000 0.205 471 D C 0.764 177.063 176.300 -0.002 0.000 0.961 471 D CA 1.209 55.214 54.000 0.009 0.000 0.853 471 D CB 0.671 41.482 40.800 0.018 0.000 0.967 471 D HN 0.516 nan 8.370 nan 0.000 0.496 472 V N 3.774 123.682 119.914 -0.011 0.000 2.320 472 V HA 0.197 4.317 4.120 -0.000 0.000 0.257 472 V C -2.362 173.720 176.094 -0.020 0.000 0.996 472 V CA -1.307 60.977 62.300 -0.027 0.000 0.928 472 V CB 1.226 33.016 31.823 -0.055 0.000 1.169 472 V HN -0.043 nan 8.190 nan 0.000 0.475 473 P HA 0.353 nan 4.420 nan 0.000 0.274 473 P C -0.391 176.906 177.300 -0.004 0.000 1.231 473 P CA -0.005 63.093 63.100 -0.003 0.000 0.790 473 P CB 1.553 33.254 31.700 0.000 0.000 0.951 474 A N 3.133 125.956 122.820 0.004 0.000 2.260 474 A HA 0.301 4.621 4.320 -0.000 0.000 0.308 474 A C 0.291 177.879 177.584 0.007 0.000 1.254 474 A CA -0.510 51.532 52.037 0.009 0.000 0.874 474 A CB 0.096 19.112 19.000 0.027 0.000 1.153 474 A HN 0.418 nan 8.150 nan 0.000 0.527 475 Q N 2.794 122.595 119.800 0.002 0.000 2.327 475 Q HA 0.311 4.651 4.340 -0.000 0.000 0.254 475 Q C -2.195 173.806 176.000 0.001 0.000 0.952 475 Q CA -1.736 54.068 55.803 0.001 0.000 0.884 475 Q CB 0.578 29.315 28.738 -0.001 0.000 1.224 475 Q HN 0.571 nan 8.270 nan 0.000 0.422 476 P HA 0.168 nan 4.420 nan 0.000 0.272 476 P C -0.348 176.947 177.300 -0.008 0.000 1.230 476 P CA -0.381 62.715 63.100 -0.006 0.000 0.788 476 P CB 0.764 32.459 31.700 -0.008 0.000 0.949 477 I N 1.982 122.543 120.570 -0.016 0.000 2.352 477 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 477 I C 1.182 177.287 176.117 -0.020 0.000 1.036 477 I CA 0.138 61.427 61.300 -0.019 0.000 1.336 477 I CB 0.088 38.069 38.000 -0.031 0.000 1.407 477 I HN 0.410 nan 8.210 nan 0.000 0.497 478 T N 2.077 116.623 114.554 -0.013 0.000 2.918 478 T HA 0.796 5.146 4.350 -0.000 0.000 0.286 478 T C 0.061 174.746 174.700 -0.024 0.000 1.026 478 T CA -0.697 61.395 62.100 -0.014 0.000 1.031 478 T CB 2.100 70.967 68.868 -0.002 0.000 1.046 478 T HN 0.638 nan 8.240 nan 0.000 0.479 479 T N -1.143 113.392 114.554 -0.032 0.000 2.930 479 T HA 0.745 5.095 4.350 -0.000 0.000 0.290 479 T C 0.261 174.950 174.700 -0.019 0.000 1.052 479 T CA -0.760 61.309 62.100 -0.052 0.000 1.017 479 T CB 1.349 70.163 68.868 -0.090 0.000 1.137 479 T HN 0.994 nan 8.240 nan 0.000 0.511 480 T N -0.770 113.774 114.554 -0.016 0.000 2.927 480 T HA 0.439 4.789 4.350 -0.000 0.000 0.281 480 T C 0.804 175.548 174.700 0.074 0.000 0.998 480 T CA -0.907 61.222 62.100 0.048 0.000 1.019 480 T CB 0.841 69.743 68.868 0.056 0.000 1.061 480 T HN 0.537 nan 8.240 nan 0.000 0.518 481 F N 0.867 120.832 119.950 0.025 0.000 2.095 481 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 481 F C 1.899 177.762 175.800 0.105 0.000 1.104 481 F CA 1.476 59.532 58.000 0.093 0.000 1.232 481 F CB -0.467 38.591 39.000 0.097 0.000 0.987 481 F HN 0.513 nan 8.300 nan 0.000 0.475 482 L N 0.047 121.382 121.223 0.186 0.000 2.046 482 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 482 L C 2.413 179.268 176.870 -0.025 0.000 1.077 482 L CA 1.643 56.534 54.840 0.085 0.000 0.747 482 L CB -0.760 41.386 42.059 0.145 0.000 0.896 482 L HN 0.171 nan 8.230 nan 0.000 0.432 483 E N -0.115 120.062 120.200 -0.039 0.000 2.070 483 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 483 E C 2.354 178.832 176.600 -0.202 0.000 1.004 483 E CA 1.291 57.626 56.400 -0.108 0.000 0.805 483 E CB -0.067 29.558 29.700 -0.125 0.000 0.744 483 E HN 0.395 nan 8.360 nan 0.000 0.451 484 R N -0.454 119.861 120.500 -0.309 0.000 2.096 484 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 484 R C 1.838 177.735 176.300 -0.671 0.000 1.127 484 R CA 1.152 56.927 56.100 -0.542 0.000 0.968 484 R CB -0.025 29.829 30.300 -0.744 0.000 0.861 484 R HN 0.329 nan 8.270 nan 0.000 0.440 485 H N -0.976 117.895 119.070 -0.332 0.000 3.046 485 H HA 0.210 4.766 4.556 -0.000 0.000 0.262 485 H C 0.399 175.615 175.328 -0.186 0.000 1.044 485 H CA -0.208 55.645 56.048 -0.326 0.000 1.209 485 H CB 0.468 29.875 29.762 -0.592 0.000 1.507 485 H HN 0.025 nan 8.280 nan 0.000 0.507 486 L N 4.491 125.686 121.223 -0.048 0.000 2.514 486 L HA 0.045 4.385 4.340 -0.000 0.000 0.280 486 L C -1.666 175.189 176.870 -0.025 0.000 1.223 486 L CA -1.328 53.511 54.840 -0.003 0.000 0.864 486 L CB 0.295 42.385 42.059 0.051 0.000 1.118 486 L HN -0.006 nan 8.230 nan 0.000 0.494 487 P HA 0.125 nan 4.420 nan 0.000 0.276 487 P C -0.597 176.664 177.300 -0.065 0.000 1.244 487 P CA -0.591 62.481 63.100 -0.046 0.000 0.801 487 P CB 1.101 32.772 31.700 -0.048 0.000 1.006 488 S N 0.224 115.868 115.700 -0.093 0.000 2.626 488 S HA 0.077 4.547 4.470 -0.000 0.000 0.257 488 S C 1.514 175.985 174.600 -0.216 0.000 1.288 488 S CA -0.503 57.618 58.200 -0.131 0.000 0.980 488 S CB -0.424 62.698 63.200 -0.131 0.000 0.975 488 S HN 0.219 nan 8.310 nan 0.000 0.577 489 V N 2.445 122.157 119.914 -0.337 0.000 2.261 489 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 489 V C -0.404 175.268 176.094 -0.703 0.000 1.047 489 V CA 1.934 63.931 62.300 -0.506 0.000 1.015 489 V CB -1.883 29.595 31.823 -0.575 0.000 0.642 489 V HN 0.810 nan 8.190 nan 0.000 0.446 490 P HA -0.113 nan 4.420 nan 0.000 0.218 490 P C 1.727 178.841 177.300 -0.311 0.000 1.149 490 P CA 1.985 64.670 63.100 -0.692 0.000 0.817 490 P CB -0.275 31.157 31.700 -0.447 0.000 0.785 491 G N 0.566 109.225 108.800 -0.236 0.000 2.418 491 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 491 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 491 G C 1.512 176.341 174.900 -0.119 0.000 1.158 491 G CA 0.496 45.516 45.100 -0.133 0.000 0.771 491 G HN 0.234 nan 8.290 nan 0.000 0.545 492 L N 0.455 121.591 121.223 -0.145 0.000 2.083 492 L HA 0.116 4.456 4.340 -0.000 0.000 0.209 492 L C 2.662 179.469 176.870 -0.105 0.000 1.083 492 L CA 1.305 56.080 54.840 -0.108 0.000 0.752 492 L CB -0.369 41.626 42.059 -0.106 0.000 0.899 492 L HN 0.209 nan 8.230 nan 0.000 0.433 493 L N -1.085 120.046 121.223 -0.153 0.000 2.056 493 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 493 L C 2.743 179.569 176.870 -0.072 0.000 1.078 493 L CA 1.120 55.890 54.840 -0.117 0.000 0.749 493 L CB -0.539 41.422 42.059 -0.163 0.000 0.901 493 L HN 0.198 nan 8.230 nan 0.000 0.433 494 R N -0.302 120.152 120.500 -0.076 0.000 2.096 494 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 494 R C 2.238 178.518 176.300 -0.032 0.000 1.127 494 R CA 1.152 57.226 56.100 -0.042 0.000 0.968 494 R CB -0.401 29.876 30.300 -0.038 0.000 0.861 494 R HN 0.197 nan 8.270 nan 0.000 0.440 495 L N 0.845 122.044 121.223 -0.040 0.000 2.141 495 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 495 L C 1.143 177.999 176.870 -0.022 0.000 1.094 495 L CA 1.282 56.105 54.840 -0.028 0.000 0.763 495 L CB -0.072 41.969 42.059 -0.030 0.000 0.908 495 L HN 0.038 nan 8.230 nan 0.000 0.437 496 I N 0.000 120.554 120.570 -0.027 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.289 61.300 -0.019 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494