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 2vrm_1_A 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 LRLIGLTTI 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 0.000 175.514 175.510 0.007 0.000 1.280 3 N CA 0.000 52.940 53.050 -0.184 0.000 0.885 3 N CB 0.000 38.415 38.487 -0.120 0.000 1.341 4 K N 1.875 122.287 120.400 0.020 0.000 2.205 4 K HA 0.574 4.894 4.320 0.000 0.000 0.279 4 K C 0.253 176.893 176.600 0.067 0.000 1.027 4 K CA -0.314 55.998 56.287 0.041 0.000 0.932 4 K CB 1.596 34.106 32.500 0.017 0.000 1.032 4 K HN 0.694 nan 8.250 nan 0.000 0.466 5 C N -1.129 118.212 119.300 0.069 0.000 3.295 5 C HA 0.353 4.813 4.460 0.000 0.000 0.341 5 C C 0.552 175.577 174.990 0.058 0.000 1.418 5 C CA -0.791 58.268 59.018 0.069 0.000 1.240 5 C CB 0.953 28.746 27.740 0.088 0.000 1.562 5 C HN 0.812 nan 8.230 nan 0.000 0.457 6 D N 0.281 120.719 120.400 0.063 0.000 2.162 6 D HA 0.134 4.774 4.640 0.000 0.000 0.205 6 D C 0.348 176.715 176.300 0.112 0.000 0.964 6 D CA 1.625 55.673 54.000 0.080 0.000 0.847 6 D CB 0.296 41.145 40.800 0.081 0.000 0.988 6 D HN 0.504 nan 8.370 nan 0.000 0.480 7 V N 1.722 121.691 119.914 0.091 0.000 2.569 7 V HA 0.217 4.337 4.120 0.000 0.000 0.301 7 V C -0.097 176.026 176.094 0.047 0.000 1.044 7 V CA -0.840 61.516 62.300 0.092 0.000 0.874 7 V CB 2.635 34.503 31.823 0.076 0.000 1.002 7 V HN -0.240 nan 8.190 nan 0.000 0.424 8 V N 5.505 125.441 119.914 0.037 0.000 2.461 8 V HA 0.354 4.474 4.120 0.000 0.000 0.275 8 V C 0.070 176.151 176.094 -0.020 0.000 1.047 8 V CA -0.292 61.998 62.300 -0.017 0.000 0.955 8 V CB 1.737 33.542 31.823 -0.030 0.000 0.988 8 V HN 0.633 nan 8.190 nan 0.000 0.471 9 V N 6.150 126.036 119.914 -0.047 0.000 2.370 9 V HA 0.335 4.455 4.120 0.000 0.000 0.283 9 V C -0.033 176.027 176.094 -0.056 0.000 1.023 9 V CA -0.583 61.696 62.300 -0.036 0.000 0.857 9 V CB 1.778 33.584 31.823 -0.029 0.000 0.985 9 V HN 0.604 nan 8.190 nan 0.000 0.443 10 V N 4.413 124.307 119.914 -0.033 0.000 2.368 10 V HA 0.817 4.937 4.120 0.000 0.000 0.266 10 V C 0.674 176.766 176.094 -0.004 0.000 1.045 10 V CA 0.364 62.645 62.300 -0.031 0.000 0.899 10 V CB 0.489 32.308 31.823 -0.006 0.000 1.006 10 V HN 1.278 nan 8.190 nan 0.000 0.470 11 G N 3.627 112.413 108.800 -0.025 0.000 3.355 11 G HA2 0.166 4.126 3.960 0.000 0.000 0.686 11 G HA3 0.166 4.126 3.960 0.000 0.000 0.686 11 G C 0.110 175.007 174.900 -0.006 0.000 1.097 11 G CA -0.500 44.599 45.100 -0.002 0.000 0.881 11 G HN 1.246 nan 8.290 nan 0.000 0.550 12 G N 0.860 109.653 108.800 -0.011 0.000 3.959 12 G HA2 0.674 4.634 3.960 0.000 0.000 0.298 12 G HA3 0.674 4.634 3.960 0.000 0.000 0.298 12 G C 0.895 175.805 174.900 0.016 0.000 1.211 12 G CA 0.926 46.021 45.100 -0.008 0.000 1.001 12 G HN 1.288 nan 8.290 nan 0.000 0.561 13 G N -0.165 108.656 108.800 0.036 0.000 2.535 13 G HA2 0.356 4.316 3.960 0.000 0.000 0.282 13 G HA3 0.356 4.316 3.960 0.000 0.000 0.282 13 G C 1.174 176.097 174.900 0.038 0.000 1.350 13 G CA -0.757 44.374 45.100 0.052 0.000 1.039 13 G HN 0.128 nan 8.290 nan 0.000 0.509 14 I N -0.569 120.026 120.570 0.042 0.000 2.208 14 I HA -0.227 3.943 4.170 0.000 0.000 0.245 14 I C 3.048 179.186 176.117 0.034 0.000 1.097 14 I CA 1.684 63.002 61.300 0.030 0.000 1.363 14 I CB -0.113 37.908 38.000 0.035 0.000 1.051 14 I HN 0.482 nan 8.210 nan 0.000 0.413 15 S N 0.503 116.236 115.700 0.055 0.000 2.356 15 S HA -0.151 4.319 4.470 0.000 0.000 0.223 15 S C 2.098 176.722 174.600 0.040 0.000 1.032 15 S CA 1.717 59.953 58.200 0.060 0.000 1.005 15 S CB -0.635 62.619 63.200 0.090 0.000 0.867 15 S HN 0.585 nan 8.310 nan 0.000 0.449 16 G N 1.374 110.196 108.800 0.037 0.000 2.418 16 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 16 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 16 G C 1.446 176.346 174.900 -0.000 0.000 1.158 16 G CA 0.950 46.060 45.100 0.018 0.000 0.771 16 G HN 0.406 nan 8.290 nan 0.000 0.545 17 M N 1.175 120.773 119.600 -0.003 0.000 2.132 17 M HA 0.104 4.584 4.480 0.000 0.000 0.263 17 M C 3.003 179.292 176.300 -0.018 0.000 1.065 17 M CA 1.173 56.462 55.300 -0.019 0.000 1.122 17 M CB -1.280 31.306 32.600 -0.023 0.000 1.365 17 M HN 0.308 nan 8.290 nan 0.000 0.411 18 A N 0.368 123.183 122.820 -0.008 0.000 1.902 18 A HA 0.002 4.322 4.320 0.000 0.000 0.217 18 A C 2.458 180.038 177.584 -0.007 0.000 1.181 18 A CA 2.119 54.152 52.037 -0.006 0.000 0.623 18 A CB -0.869 18.133 19.000 0.004 0.000 0.818 18 A HN 0.468 nan 8.150 nan 0.000 0.443 19 A N -0.158 122.658 122.820 -0.006 0.000 1.873 19 A HA 0.185 4.505 4.320 0.000 0.000 0.215 19 A C 2.524 180.102 177.584 -0.011 0.000 1.186 19 A CA 2.080 54.108 52.037 -0.015 0.000 0.616 19 A CB -1.053 17.940 19.000 -0.012 0.000 0.823 19 A HN 1.038 nan 8.150 nan 0.000 0.442 20 A N -0.173 122.641 122.820 -0.009 0.000 1.902 20 A HA -0.170 4.150 4.320 0.000 0.000 0.217 20 A C 2.132 179.728 177.584 0.020 0.000 1.181 20 A CA 2.058 54.093 52.037 -0.002 0.000 0.623 20 A CB -0.509 18.477 19.000 -0.024 0.000 0.818 20 A HN 0.565 nan 8.150 nan 0.000 0.443 21 K N -0.422 119.979 120.400 0.001 0.000 2.044 21 K HA -0.159 4.161 4.320 0.000 0.000 0.210 21 K C 1.996 178.633 176.600 0.062 0.000 1.049 21 K CA 1.750 58.050 56.287 0.022 0.000 0.927 21 K CB -0.357 32.139 32.500 -0.006 0.000 0.713 21 K HN 0.453 nan 8.250 nan 0.000 0.443 22 L N 1.025 122.262 121.223 0.024 0.000 2.017 22 L HA -0.190 4.150 4.340 0.000 0.000 0.208 22 L C 2.204 179.082 176.870 0.012 0.000 1.073 22 L CA 1.213 56.059 54.840 0.010 0.000 0.745 22 L CB -0.150 41.899 42.059 -0.016 0.000 0.894 22 L HN 0.275 nan 8.230 nan 0.000 0.432 23 L N -1.044 120.187 121.223 0.015 0.000 2.046 23 L HA -0.272 4.069 4.340 0.000 0.000 0.208 23 L C 2.599 179.491 176.870 0.036 0.000 1.077 23 L CA 1.583 56.427 54.840 0.007 0.000 0.747 23 L CB -0.790 41.271 42.059 0.003 0.000 0.896 23 L HN 0.427 nan 8.230 nan 0.000 0.432 24 H N 0.157 119.214 119.070 -0.022 0.000 2.321 24 H HA -0.197 4.359 4.556 0.000 0.000 0.300 24 H C 1.766 177.085 175.328 -0.015 0.000 1.087 24 H CA 2.016 58.054 56.048 -0.015 0.000 1.319 24 H CB 0.044 29.797 29.762 -0.015 0.000 1.379 24 H HN 0.210 nan 8.280 nan 0.000 0.501 25 D N -0.567 119.851 120.400 0.030 0.000 2.263 25 D HA -0.081 4.559 4.640 0.000 0.000 0.208 25 D C 1.720 177.977 176.300 -0.071 0.000 0.971 25 D CA 1.134 55.116 54.000 -0.029 0.000 0.867 25 D CB -0.123 40.697 40.800 0.033 0.000 0.929 25 D HN 0.347 nan 8.370 nan 0.000 0.492 26 S N -1.261 114.402 115.700 -0.060 0.000 2.593 26 S HA 0.288 4.758 4.470 0.000 0.000 0.217 26 S C 1.600 176.156 174.600 -0.073 0.000 0.966 26 S CA 0.520 58.686 58.200 -0.057 0.000 0.914 26 S CB 0.908 64.082 63.200 -0.043 0.000 0.776 26 S HN 0.429 nan 8.310 nan 0.000 0.523 27 G N 0.974 109.705 108.800 -0.115 0.000 2.184 27 G HA2 -0.180 3.780 3.960 0.000 0.000 0.206 27 G HA3 -0.180 3.780 3.960 0.000 0.000 0.206 27 G C -0.045 174.809 174.900 -0.076 0.000 0.995 27 G CA -0.454 44.580 45.100 -0.111 0.000 0.651 27 G HN 0.403 nan 8.290 nan 0.000 0.511 28 L N 1.098 122.290 121.223 -0.052 0.000 2.418 28 L HA 0.416 4.756 4.340 0.000 0.000 0.265 28 L C 0.128 177.005 176.870 0.013 0.000 1.143 28 L CA -1.012 53.822 54.840 -0.010 0.000 0.809 28 L CB 0.591 42.653 42.059 0.005 0.000 1.124 28 L HN 0.027 nan 8.230 nan 0.000 0.456 29 N N 2.280 120.999 118.700 0.033 0.000 2.408 29 N HA 0.292 5.032 4.740 0.000 0.000 0.257 29 N C -0.647 174.902 175.510 0.066 0.000 1.064 29 N CA -0.104 52.980 53.050 0.057 0.000 0.952 29 N CB 1.741 40.258 38.487 0.050 0.000 1.093 29 N HN 0.379 nan 8.380 nan 0.000 0.490 30 V N 0.100 120.061 119.914 0.080 0.000 2.769 30 V HA 0.715 4.835 4.120 0.000 0.000 0.312 30 V C -0.300 175.814 176.094 0.033 0.000 1.061 30 V CA -0.711 61.621 62.300 0.055 0.000 0.931 30 V CB 1.992 33.846 31.823 0.052 0.000 1.010 30 V HN 0.180 nan 8.190 nan 0.000 0.433 31 V N 4.002 123.915 119.914 -0.002 0.000 2.604 31 V HA 0.582 4.702 4.120 0.000 0.000 0.305 31 V C -0.327 175.706 176.094 -0.102 0.000 1.043 31 V CA -0.546 61.721 62.300 -0.056 0.000 0.888 31 V CB 2.116 33.888 31.823 -0.084 0.000 0.995 31 V HN 0.853 nan 8.190 nan 0.000 0.429 32 V N 6.015 125.861 119.914 -0.112 0.000 2.370 32 V HA 0.465 4.585 4.120 0.000 0.000 0.283 32 V C -0.276 175.718 176.094 -0.166 0.000 1.023 32 V CA -0.449 61.783 62.300 -0.115 0.000 0.857 32 V CB 1.500 33.277 31.823 -0.077 0.000 0.985 32 V HN 0.604 nan 8.190 nan 0.000 0.443 33 L N 4.551 125.661 121.223 -0.189 0.000 2.276 33 L HA 0.617 4.957 4.340 0.000 0.000 0.286 33 L C -0.249 176.534 176.870 -0.145 0.000 1.024 33 L CA -0.381 54.330 54.840 -0.215 0.000 0.826 33 L CB 1.482 43.371 42.059 -0.283 0.000 1.211 33 L HN 0.603 nan 8.230 nan 0.000 0.422 34 E N 2.290 122.410 120.200 -0.134 0.000 2.176 34 E HA 0.498 4.849 4.350 0.000 0.000 0.267 34 E C 0.326 176.818 176.600 -0.180 0.000 0.893 34 E CA -0.318 56.006 56.400 -0.126 0.000 0.761 34 E CB 2.062 31.710 29.700 -0.087 0.000 1.133 34 E HN 0.551 nan 8.360 nan 0.000 0.409 35 A N 5.446 128.097 122.820 -0.282 0.000 1.902 35 A HA -0.057 4.263 4.320 0.000 0.000 0.217 35 A C 1.129 178.478 177.584 -0.391 0.000 1.181 35 A CA 1.065 52.794 52.037 -0.512 0.000 0.623 35 A CB -0.213 18.072 19.000 -1.192 0.000 0.818 35 A HN 0.608 nan 8.150 nan 0.000 0.443 36 R N -0.119 120.228 120.500 -0.255 0.000 2.580 36 R HA 0.223 4.563 4.340 0.000 0.000 0.267 36 R C 0.221 176.474 176.300 -0.078 0.000 1.125 36 R CA 0.192 56.219 56.100 -0.122 0.000 1.188 36 R CB 0.162 30.429 30.300 -0.055 0.000 1.155 36 R HN 0.494 nan 8.270 nan 0.000 0.586 37 D N 0.447 120.819 120.400 -0.046 0.000 2.323 37 D HA -0.040 4.600 4.640 0.000 0.000 0.239 37 D C -0.131 176.160 176.300 -0.014 0.000 1.129 37 D CA 0.148 54.131 54.000 -0.027 0.000 0.865 37 D CB -0.073 40.718 40.800 -0.015 0.000 0.913 37 D HN 0.429 nan 8.370 nan 0.000 0.517 38 R N -1.377 119.114 120.500 -0.016 0.000 2.734 38 R HA 0.585 4.925 4.340 0.000 0.000 0.271 38 R C -0.726 175.582 176.300 0.013 0.000 1.021 38 R CA -1.126 54.982 56.100 0.012 0.000 0.893 38 R CB 1.153 31.475 30.300 0.038 0.000 1.244 38 R HN -0.094 nan 8.270 nan 0.000 0.464 39 V N -1.615 118.318 119.914 0.031 0.000 3.234 39 V HA 0.866 4.986 4.120 0.000 0.000 0.317 39 V C 0.918 177.058 176.094 0.077 0.000 1.081 39 V CA 0.443 62.763 62.300 0.033 0.000 1.037 39 V CB 0.791 32.621 31.823 0.012 0.000 1.148 39 V HN 1.203 nan 8.190 nan 0.000 0.453 40 G N -0.696 108.149 108.800 0.075 0.000 2.339 40 G HA2 0.131 4.091 3.960 0.000 0.000 0.209 40 G HA3 0.131 4.091 3.960 0.000 0.000 0.209 40 G C 1.658 176.638 174.900 0.133 0.000 1.015 40 G CA 0.806 45.971 45.100 0.109 0.000 0.635 40 G HN 2.627 nan 8.290 nan 0.000 0.499 41 G N 0.605 109.495 108.800 0.150 0.000 2.620 41 G HA2 -0.415 3.545 3.960 0.000 0.000 0.315 41 G HA3 -0.415 3.545 3.960 0.000 0.000 0.315 41 G C 0.971 176.023 174.900 0.253 0.000 1.179 41 G CA 1.525 46.733 45.100 0.180 0.000 0.971 41 G HN 1.208 nan 8.290 nan 0.000 0.544 42 R N 1.858 122.417 120.500 0.097 0.000 2.323 42 R HA 0.235 4.576 4.340 0.000 0.000 0.198 42 R C 0.987 177.175 176.300 -0.187 0.000 0.988 42 R CA 1.037 57.017 56.100 -0.200 0.000 1.041 42 R CB -0.097 30.053 30.300 -0.250 0.000 0.926 42 R HN 0.700 nan 8.270 nan 0.000 0.476 43 T N -2.340 112.260 114.554 0.078 0.000 2.824 43 T HA 0.358 4.708 4.350 0.000 0.000 0.280 43 T C -0.992 173.926 174.700 0.363 0.000 0.995 43 T CA -0.649 61.547 62.100 0.159 0.000 1.009 43 T CB 1.570 70.500 68.868 0.104 0.000 0.955 43 T HN 0.097 nan 8.240 nan 0.000 0.452 44 Y N 1.580 122.025 120.300 0.243 0.000 2.298 44 Y HA 0.422 4.972 4.550 0.000 0.000 0.322 44 Y C -1.108 174.906 175.900 0.190 0.000 1.138 44 Y CA -0.933 57.314 58.100 0.244 0.000 1.127 44 Y CB 1.447 40.121 38.460 0.356 0.000 1.178 44 Y HN 0.870 nan 8.280 nan 0.000 0.428 45 T N 7.715 122.145 114.554 -0.206 0.000 2.738 45 T HA 0.381 4.731 4.350 0.000 0.000 0.298 45 T C -0.670 173.717 174.700 -0.522 0.000 0.962 45 T CA -0.359 61.578 62.100 -0.272 0.000 0.972 45 T CB 0.543 69.368 68.868 -0.072 0.000 0.928 45 T HN 0.572 nan 8.240 nan 0.000 0.474 46 L N 4.650 125.560 121.223 -0.521 0.000 2.305 46 L HA 0.561 4.901 4.340 0.000 0.000 0.281 46 L C -0.190 176.609 176.870 -0.118 0.000 1.085 46 L CA -0.139 54.488 54.840 -0.355 0.000 0.813 46 L CB 0.401 42.312 42.059 -0.246 0.000 1.157 46 L HN 0.448 nan 8.230 nan 0.000 0.436 47 R N 3.693 124.152 120.500 -0.068 0.000 2.387 47 R HA 0.623 4.963 4.340 0.000 0.000 0.314 47 R C -0.987 175.292 176.300 -0.036 0.000 0.958 47 R CA -0.540 55.542 56.100 -0.030 0.000 0.846 47 R CB 1.201 31.497 30.300 -0.007 0.000 1.147 47 R HN 0.872 nan 8.270 nan 0.000 0.447 48 N N -1.108 117.553 118.700 -0.065 0.000 2.934 48 N HA 0.035 4.775 4.740 0.000 0.000 0.253 48 N C -0.163 175.286 175.510 -0.100 0.000 1.466 48 N CA -0.958 52.052 53.050 -0.067 0.000 0.858 48 N CB 0.720 39.172 38.487 -0.059 0.000 1.459 48 N HN 0.296 nan 8.380 nan 0.000 0.532 49 Q N -0.269 119.483 119.800 -0.080 0.000 2.224 49 Q HA -0.003 4.337 4.340 0.000 0.000 0.203 49 Q C 0.453 176.411 176.000 -0.070 0.000 0.970 49 Q CA 1.284 57.055 55.803 -0.053 0.000 0.865 49 Q CB 0.048 28.767 28.738 -0.031 0.000 0.922 49 Q HN 0.541 nan 8.270 nan 0.000 0.445 50 K N 0.160 120.426 120.400 -0.222 0.000 2.155 50 K HA -0.053 4.267 4.320 0.000 0.000 0.203 50 K C 2.007 178.374 176.600 -0.389 0.000 1.052 50 K CA 1.349 57.394 56.287 -0.404 0.000 0.948 50 K CB 0.037 31.978 32.500 -0.931 0.000 0.728 50 K HN 0.324 nan 8.250 nan 0.000 0.448 51 V N -2.830 116.826 119.914 -0.429 0.000 3.645 51 V HA 0.225 4.345 4.120 0.000 0.000 0.275 51 V C 1.421 177.108 176.094 -0.679 0.000 1.356 51 V CA 0.737 62.738 62.300 -0.498 0.000 1.051 51 V CB 0.224 31.782 31.823 -0.441 0.000 0.828 51 V HN 0.284 nan 8.190 nan 0.000 0.441 52 K N 0.478 120.565 120.400 -0.522 0.000 10.392 52 K HA -0.303 4.017 4.320 0.000 0.000 0.519 52 K C 0.133 176.621 176.600 -0.186 0.000 0.376 52 K CA 2.454 58.474 56.287 -0.445 0.000 1.951 52 K CB -1.462 30.556 32.500 -0.803 0.000 0.744 52 K HN 0.969 nan 8.250 nan 0.000 1.160 53 Y N -1.950 118.193 120.300 -0.263 0.000 2.571 53 Y HA 0.726 5.276 4.550 0.000 0.000 0.341 53 Y C -1.293 174.556 175.900 -0.086 0.000 1.076 53 Y CA -0.712 57.299 58.100 -0.149 0.000 1.029 53 Y CB 2.063 40.456 38.460 -0.111 0.000 1.308 53 Y HN 0.013 nan 8.280 nan 0.000 0.461 54 V N 2.536 122.502 119.914 0.087 0.000 2.752 54 V HA 0.339 4.459 4.120 0.000 0.000 0.302 54 V C -1.594 174.547 176.094 0.078 0.000 1.133 54 V CA -0.659 61.694 62.300 0.089 0.000 0.919 54 V CB 1.864 33.756 31.823 0.116 0.000 1.026 54 V HN 0.923 nan 8.190 nan 0.000 0.429 55 D N 5.937 126.401 120.400 0.106 0.000 2.358 55 D HA 0.248 4.888 4.640 0.000 0.000 0.258 55 D C 0.870 177.245 176.300 0.126 0.000 1.223 55 D CA 0.268 54.317 54.000 0.082 0.000 0.886 55 D CB 1.820 42.647 40.800 0.045 0.000 1.120 55 D HN 0.518 nan 8.370 nan 0.000 0.482 56 L N 1.471 122.820 121.223 0.209 0.000 2.585 56 L HA 0.211 4.551 4.340 0.000 0.000 0.226 56 L C 1.492 178.770 176.870 0.679 0.000 1.113 56 L CA 0.061 55.132 54.840 0.385 0.000 0.876 56 L CB 0.352 42.641 42.059 0.383 0.000 1.072 56 L HN 0.351 nan 8.230 nan 0.000 0.468 57 G N -0.861 108.239 108.800 0.499 0.000 3.302 57 G HA2 0.431 4.391 3.960 0.000 0.000 0.170 57 G HA3 0.431 4.391 3.960 0.000 0.000 0.170 57 G C -0.164 174.752 174.900 0.027 0.000 1.119 57 G CA -0.030 45.166 45.100 0.159 0.000 0.826 57 G HN 0.068 nan 8.290 nan 0.000 0.646 58 G N -0.771 107.977 108.800 -0.086 0.000 2.391 58 G HA2 0.367 4.327 3.960 0.000 0.000 0.234 58 G HA3 0.367 4.327 3.960 0.000 0.000 0.234 58 G C 0.529 175.402 174.900 -0.045 0.000 1.284 58 G CA 1.011 46.071 45.100 -0.068 0.000 0.873 58 G HN 0.931 nan 8.290 nan 0.000 0.549 59 S N 0.831 116.448 115.700 -0.139 0.000 3.640 59 S HA 0.165 4.635 4.470 0.000 0.000 0.246 59 S C 0.035 174.398 174.600 -0.396 0.000 1.133 59 S CA -0.351 57.667 58.200 -0.303 0.000 0.882 59 S CB -0.160 62.684 63.200 -0.593 0.000 1.015 59 S HN 0.492 nan 8.310 nan 0.000 0.469 60 Y N 3.019 123.283 120.300 -0.061 0.000 2.309 60 Y HA 0.517 5.067 4.550 0.000 0.000 0.327 60 Y C 0.305 176.077 175.900 -0.214 0.000 1.172 60 Y CA -0.277 57.735 58.100 -0.147 0.000 1.280 60 Y CB 1.062 39.478 38.460 -0.073 0.000 1.234 60 Y HN 0.145 nan 8.280 nan 0.000 0.512 61 V N -0.198 119.597 119.914 -0.199 0.000 3.078 61 V HA 1.099 5.219 4.120 0.000 0.000 0.311 61 V C -0.346 175.553 176.094 -0.325 0.000 1.138 61 V CA -0.458 61.643 62.300 -0.332 0.000 1.007 61 V CB 1.713 33.269 31.823 -0.445 0.000 1.045 61 V HN 0.948 nan 8.190 nan 0.000 0.432 62 G N 0.573 109.137 108.800 -0.394 0.000 2.619 62 G HA2 0.730 4.690 3.960 0.000 0.000 0.305 62 G HA3 0.730 4.690 3.960 0.000 0.000 0.305 62 G C -3.433 171.300 174.900 -0.278 0.000 1.330 62 G CA -1.095 43.828 45.100 -0.296 0.000 0.789 62 G HN 0.725 nan 8.290 nan 0.000 0.487 63 P HA 0.123 nan 4.420 nan 0.000 0.266 63 P C 0.783 178.055 177.300 -0.046 0.000 1.193 63 P CA 1.984 65.032 63.100 -0.085 0.000 0.770 63 P CB 0.839 32.518 31.700 -0.035 0.000 0.836 64 T N -1.677 112.885 114.554 0.014 0.000 6.412 64 T HA -0.261 4.089 4.350 0.000 0.000 0.279 64 T C 0.192 174.906 174.700 0.024 0.000 2.177 64 T CA 1.141 63.327 62.100 0.144 0.000 3.599 64 T CB -2.732 66.349 68.868 0.355 0.000 1.259 64 T HN 0.607 nan 8.240 nan 0.000 1.146 65 Q N 1.177 120.813 119.800 -0.273 0.000 3.091 65 Q HA 0.394 4.734 4.340 0.000 0.000 0.301 65 Q C 0.822 176.719 176.000 -0.171 0.000 1.337 65 Q CA -0.528 55.020 55.803 -0.425 0.000 1.083 65 Q CB 0.326 28.622 28.738 -0.737 0.000 1.477 65 Q HN 0.464 nan 8.270 nan 0.000 0.537 66 N N 0.828 119.501 118.700 -0.045 0.000 2.354 66 N HA -0.047 4.693 4.740 0.000 0.000 0.179 66 N C 1.230 176.747 175.510 0.013 0.000 1.021 66 N CA 0.758 53.807 53.050 -0.001 0.000 0.887 66 N CB 0.302 38.812 38.487 0.039 0.000 0.974 66 N HN 0.372 nan 8.380 nan 0.000 0.437 67 R N 0.537 121.049 120.500 0.021 0.000 2.057 67 R HA 0.022 4.362 4.340 0.000 0.000 0.229 67 R C 2.064 178.377 176.300 0.023 0.000 1.136 67 R CA 0.685 56.804 56.100 0.031 0.000 0.952 67 R CB -0.426 29.905 30.300 0.052 0.000 0.848 67 R HN 0.080 nan 8.270 nan 0.000 0.430 68 I N 1.440 122.018 120.570 0.013 0.000 2.208 68 I HA -0.245 3.925 4.170 0.000 0.000 0.245 68 I C 1.904 178.081 176.117 0.100 0.000 1.097 68 I CA 1.500 62.830 61.300 0.050 0.000 1.363 68 I CB -0.154 37.883 38.000 0.061 0.000 1.051 68 I HN 0.110 nan 8.210 nan 0.000 0.413 69 L N 0.194 121.461 121.223 0.072 0.000 2.012 69 L HA -0.219 4.121 4.340 0.000 0.000 0.210 69 L C 2.788 179.701 176.870 0.072 0.000 1.073 69 L CA 1.625 56.523 54.840 0.098 0.000 0.748 69 L CB -0.885 41.185 42.059 0.018 0.000 0.891 69 L HN 0.287 nan 8.230 nan 0.000 0.431 70 R N 0.663 121.186 120.500 0.038 0.000 2.073 70 R HA -0.195 4.145 4.340 0.000 0.000 0.234 70 R C 2.291 178.598 176.300 0.011 0.000 1.134 70 R CA 1.721 57.835 56.100 0.024 0.000 0.952 70 R CB -0.707 29.606 30.300 0.021 0.000 0.850 70 R HN 0.246 nan 8.270 nan 0.000 0.433 71 L N 1.166 122.392 121.223 0.005 0.000 1.989 71 L HA -0.090 4.250 4.340 0.000 0.000 0.211 71 L C 2.468 179.303 176.870 -0.057 0.000 1.071 71 L CA 2.423 57.250 54.840 -0.022 0.000 0.749 71 L CB -0.955 41.090 42.059 -0.023 0.000 0.890 71 L HN 0.254 nan 8.230 nan 0.000 0.431 72 A N -0.760 122.014 122.820 -0.077 0.000 1.902 72 A HA -0.261 4.059 4.320 0.000 0.000 0.217 72 A C 2.474 180.002 177.584 -0.093 0.000 1.181 72 A CA 1.976 53.898 52.037 -0.192 0.000 0.623 72 A CB -0.661 18.124 19.000 -0.359 0.000 0.818 72 A HN 0.516 nan 8.150 nan 0.000 0.443 73 K N -0.214 120.184 120.400 -0.004 0.000 2.097 73 K HA -0.194 4.126 4.320 0.000 0.000 0.206 73 K C 2.024 178.618 176.600 -0.011 0.000 1.049 73 K CA 1.628 57.921 56.287 0.011 0.000 0.933 73 K CB -0.165 32.355 32.500 0.034 0.000 0.717 73 K HN 0.636 nan 8.250 nan 0.000 0.442 74 E N 0.590 120.779 120.200 -0.017 0.000 2.204 74 E HA -0.156 4.194 4.350 0.000 0.000 0.195 74 E C 1.656 178.237 176.600 -0.033 0.000 0.990 74 E CA 0.706 57.094 56.400 -0.019 0.000 0.821 74 E CB 0.027 29.718 29.700 -0.015 0.000 0.750 74 E HN 0.355 nan 8.360 nan 0.000 0.477 75 L N -0.478 120.711 121.223 -0.057 0.000 2.599 75 L HA 0.150 4.490 4.340 0.000 0.000 0.230 75 L C 1.345 178.174 176.870 -0.069 0.000 1.141 75 L CA 0.461 55.256 54.840 -0.074 0.000 0.877 75 L CB 0.082 42.073 42.059 -0.114 0.000 1.009 75 L HN 0.399 nan 8.230 nan 0.000 0.447 76 G N 0.423 109.192 108.800 -0.052 0.000 2.132 76 G HA2 -0.239 3.721 3.960 0.000 0.000 0.228 76 G HA3 -0.239 3.721 3.960 0.000 0.000 0.228 76 G C 0.071 174.947 174.900 -0.040 0.000 1.000 76 G CA -0.302 44.776 45.100 -0.037 0.000 0.693 76 G HN 0.202 nan 8.290 nan 0.000 0.515 77 L N -0.161 121.027 121.223 -0.057 0.000 2.379 77 L HA 0.647 4.987 4.340 0.000 0.000 0.269 77 L C 0.646 177.557 176.870 0.068 0.000 1.084 77 L CA -0.627 54.187 54.840 -0.044 0.000 0.802 77 L CB 1.159 43.095 42.059 -0.207 0.000 1.175 77 L HN 0.166 nan 8.230 nan 0.000 0.448 78 E N 0.364 120.640 120.200 0.126 0.000 2.207 78 E HA 0.391 4.741 4.350 0.000 0.000 0.270 78 E C -0.746 176.008 176.600 0.256 0.000 0.927 78 E CA -0.574 55.922 56.400 0.160 0.000 0.799 78 E CB 2.391 32.161 29.700 0.116 0.000 1.172 78 E HN 0.651 nan 8.360 nan 0.000 0.404 79 T N -0.634 114.021 114.554 0.168 0.000 2.945 79 T HA 0.594 4.944 4.350 0.000 0.000 0.286 79 T C -0.721 174.055 174.700 0.127 0.000 1.025 79 T CA -0.629 61.498 62.100 0.046 0.000 1.039 79 T CB 0.692 69.460 68.868 -0.166 0.000 1.068 79 T HN 0.499 nan 8.240 nan 0.000 0.497 80 Y N -1.194 119.095 120.300 -0.018 0.000 2.581 80 Y HA 0.716 5.266 4.550 0.000 0.000 0.345 80 Y C -0.733 175.164 175.900 -0.006 0.000 1.036 80 Y CA -1.522 56.581 58.100 0.005 0.000 1.042 80 Y CB 1.411 39.896 38.460 0.041 0.000 1.289 80 Y HN 0.649 nan 8.280 nan 0.000 0.471 81 K N 2.401 122.849 120.400 0.080 0.000 2.297 81 K HA 0.407 4.728 4.320 0.000 0.000 0.286 81 K C -0.780 175.847 176.600 0.045 0.000 1.053 81 K CA -0.689 55.593 56.287 -0.008 0.000 0.940 81 K CB 1.432 33.957 32.500 0.041 0.000 1.019 81 K HN 0.599 nan 8.250 nan 0.000 0.475 82 V N 3.375 123.257 119.914 -0.053 0.000 2.694 82 V HA -0.121 3.999 4.120 0.000 0.000 0.306 82 V C 0.630 176.764 176.094 0.067 0.000 1.054 82 V CA -0.131 62.193 62.300 0.040 0.000 1.161 82 V CB 0.216 32.045 31.823 0.010 0.000 0.916 82 V HN 0.736 nan 8.190 nan 0.000 0.490 83 N N 3.865 122.633 118.700 0.112 0.000 2.417 83 N HA -0.019 4.721 4.740 0.000 0.000 0.272 83 N C 0.358 175.889 175.510 0.035 0.000 1.304 83 N CA 0.619 53.722 53.050 0.089 0.000 0.906 83 N CB 0.190 38.756 38.487 0.132 0.000 1.135 83 N HN 0.827 nan 8.380 nan 0.000 0.483 84 E N 2.741 122.951 120.200 0.018 0.000 2.921 84 E HA 0.101 4.451 4.350 0.000 0.000 0.203 84 E C 0.555 177.153 176.600 -0.003 0.000 0.975 84 E CA -0.055 56.338 56.400 -0.012 0.000 1.225 84 E CB 0.326 30.006 29.700 -0.034 0.000 1.048 84 E HN 0.430 nan 8.360 nan 0.000 0.477 85 V N 0.658 120.582 119.914 0.017 0.000 2.261 85 V HA -0.206 3.914 4.120 0.000 0.000 0.246 85 V C 0.998 177.099 176.094 0.012 0.000 1.047 85 V CA 1.712 64.021 62.300 0.015 0.000 1.015 85 V CB -0.190 31.644 31.823 0.018 0.000 0.642 85 V HN 0.255 nan 8.190 nan 0.000 0.446 86 E N -0.765 119.448 120.200 0.023 0.000 3.188 86 E HA 0.369 4.720 4.350 0.000 0.000 0.262 86 E C 0.272 176.882 176.600 0.017 0.000 1.341 86 E CA -0.644 55.773 56.400 0.027 0.000 1.140 86 E CB 0.182 29.910 29.700 0.046 0.000 1.306 86 E HN 0.286 nan 8.360 nan 0.000 0.694 87 R N 0.235 120.766 120.500 0.052 0.000 2.543 87 R HA 0.220 4.560 4.340 0.000 0.000 0.277 87 R C -0.491 175.764 176.300 -0.075 0.000 1.074 87 R CA -0.459 55.652 56.100 0.018 0.000 1.076 87 R CB 0.097 30.477 30.300 0.133 0.000 0.993 87 R HN 0.180 nan 8.270 nan 0.000 0.459 88 L N 3.013 124.003 121.223 -0.388 0.000 2.456 88 L HA 0.365 4.705 4.340 0.000 0.000 0.257 88 L C 0.218 176.823 176.870 -0.442 0.000 1.162 88 L CA 0.247 54.739 54.840 -0.579 0.000 0.808 88 L CB 0.539 41.913 42.059 -1.142 0.000 1.136 88 L HN 0.463 nan 8.230 nan 0.000 0.466 89 I N 0.491 120.946 120.570 -0.192 0.000 2.465 89 I HA 0.269 4.439 4.170 0.000 0.000 0.291 89 I C -0.573 175.794 176.117 0.417 0.000 1.014 89 I CA -0.493 60.852 61.300 0.075 0.000 1.093 89 I CB 1.531 39.449 38.000 -0.136 0.000 1.267 89 I HN 0.543 nan 8.210 nan 0.000 0.431 90 H N 5.485 124.858 119.070 0.505 0.000 2.581 90 H HA 0.308 4.864 4.556 0.000 0.000 0.308 90 H C -1.278 174.305 175.328 0.425 0.000 1.040 90 H CA -0.708 55.614 56.048 0.458 0.000 1.231 90 H CB 0.810 30.804 29.762 0.387 0.000 1.396 90 H HN 0.617 nan 8.280 nan 0.000 0.467 91 H N 4.335 123.533 119.070 0.213 0.000 2.556 91 H HA 0.407 4.963 4.556 0.000 0.000 0.310 91 H C -1.432 173.895 175.328 -0.001 0.000 1.057 91 H CA -0.418 55.687 56.048 0.094 0.000 1.264 91 H CB 0.914 30.731 29.762 0.091 0.000 1.404 91 H HN 0.339 nan 8.280 nan 0.000 0.462 92 V N 6.339 126.118 119.914 -0.224 0.000 2.711 92 V HA 0.239 4.359 4.120 0.000 0.000 0.304 92 V C -0.755 175.280 176.094 -0.099 0.000 1.097 92 V CA -0.815 61.393 62.300 -0.153 0.000 0.906 92 V CB 1.322 32.963 31.823 -0.303 0.000 1.015 92 V HN 1.059 nan 8.190 nan 0.000 0.427 93 K N 4.806 125.178 120.400 -0.047 0.000 3.150 93 K HA -0.190 4.130 4.320 0.000 0.000 0.267 93 K C 0.900 177.460 176.600 -0.066 0.000 1.028 93 K CA 0.827 57.103 56.287 -0.018 0.000 0.753 93 K CB -1.466 31.042 32.500 0.013 0.000 1.288 93 K HN 1.936 nan 8.250 nan 0.000 0.473 94 G N 0.169 108.896 108.800 -0.122 0.000 2.155 94 G HA2 -0.368 3.592 3.960 0.000 0.000 0.257 94 G HA3 -0.368 3.592 3.960 0.000 0.000 0.257 94 G C -0.075 174.644 174.900 -0.303 0.000 0.983 94 G CA 1.156 46.206 45.100 -0.083 0.000 0.676 94 G HN 0.448 nan 8.290 nan 0.000 0.528 95 K N -0.061 119.967 120.400 -0.621 0.000 2.426 95 K HA 0.632 4.952 4.320 0.000 0.000 0.251 95 K C -0.549 175.700 176.600 -0.584 0.000 0.941 95 K CA -0.534 55.472 56.287 -0.469 0.000 0.808 95 K CB 1.411 33.722 32.500 -0.314 0.000 1.265 95 K HN 0.050 nan 8.250 nan 0.000 0.432 96 S N 2.153 117.644 115.700 -0.349 0.000 2.462 96 S HA 0.415 4.885 4.470 0.000 0.000 0.294 96 S C -1.451 172.929 174.600 -0.368 0.000 1.144 96 S CA -0.429 57.692 58.200 -0.132 0.000 1.088 96 S CB 0.360 63.604 63.200 0.073 0.000 1.009 96 S HN 0.414 nan 8.310 nan 0.000 0.484 97 Y N 2.319 122.711 120.300 0.154 0.000 2.526 97 Y HA 0.355 4.905 4.550 0.000 0.000 0.328 97 Y C -2.516 173.590 175.900 0.344 0.000 0.995 97 Y CA -2.442 55.791 58.100 0.222 0.000 1.304 97 Y CB 0.651 39.235 38.460 0.206 0.000 1.096 97 Y HN 0.449 nan 8.280 nan 0.000 0.499 98 P HA 0.186 nan 4.420 nan 0.000 0.269 98 P C -0.872 176.716 177.300 0.480 0.000 1.209 98 P CA 0.078 63.400 63.100 0.369 0.000 0.776 98 P CB 0.492 32.411 31.700 0.366 0.000 0.876 99 F N -1.185 118.896 119.950 0.218 0.000 2.678 99 F HA 0.665 5.192 4.527 0.000 0.000 0.308 99 F C -0.727 175.159 175.800 0.144 0.000 1.118 99 F CA -1.404 56.709 58.000 0.187 0.000 0.959 99 F CB 1.313 40.427 39.000 0.190 0.000 1.305 99 F HN 0.034 nan 8.300 nan 0.000 0.443 100 R N 1.091 121.728 120.500 0.229 0.000 2.691 100 R HA 0.822 5.162 4.340 0.000 0.000 0.259 100 R C 0.019 176.471 176.300 0.254 0.000 1.048 100 R CA -0.269 55.898 56.100 0.111 0.000 1.086 100 R CB 1.328 31.692 30.300 0.106 0.000 1.166 100 R HN 1.424 nan 8.270 nan 0.000 0.526 101 G N 0.730 109.619 108.800 0.148 0.000 2.781 101 G HA2 -0.171 3.789 3.960 0.000 0.000 0.683 101 G HA3 -0.171 3.789 3.960 0.000 0.000 0.683 101 G C -2.153 172.895 174.900 0.247 0.000 1.390 101 G CA -0.834 44.373 45.100 0.179 0.000 0.850 101 G HN 0.467 nan 8.290 nan 0.000 0.557 102 P HA 0.112 nan 4.420 nan 0.000 0.216 102 P C 0.716 178.052 177.300 0.060 0.000 1.153 102 P CA 1.091 64.205 63.100 0.025 0.000 0.844 102 P CB 0.155 31.765 31.700 -0.149 0.000 0.787 103 F N -0.242 119.765 119.950 0.096 0.000 2.443 103 F HA 0.397 4.924 4.527 0.000 0.000 0.335 103 F C -2.019 173.503 175.800 -0.462 0.000 1.104 103 F CA -3.028 54.887 58.000 -0.141 0.000 1.013 103 F CB 1.340 40.214 39.000 -0.210 0.000 1.136 103 F HN -0.297 nan 8.300 nan 0.000 0.470 104 P HA 0.105 nan 4.420 nan 0.000 0.271 104 P C -2.503 174.508 177.300 -0.482 0.000 1.216 104 P CA -0.988 61.375 63.100 -1.228 0.000 0.771 104 P CB -0.107 31.064 31.700 -0.881 0.000 0.864 105 P HA 0.120 nan 4.420 nan 0.000 0.275 105 P C -0.973 176.158 177.300 -0.282 0.000 1.227 105 P CA 0.035 62.973 63.100 -0.270 0.000 0.781 105 P CB 0.683 32.255 31.700 -0.213 0.000 0.906 106 V N 3.368 123.087 119.914 -0.326 0.000 2.407 106 V HA 0.190 4.310 4.120 0.000 0.000 0.291 106 V C 0.374 176.323 176.094 -0.243 0.000 1.018 106 V CA -0.195 61.957 62.300 -0.247 0.000 0.842 106 V CB 1.369 33.002 31.823 -0.317 0.000 0.996 106 V HN 0.680 nan 8.190 nan 0.000 0.426 107 W N 1.405 122.679 121.300 -0.042 0.000 2.574 107 W HA 0.151 4.811 4.660 0.000 0.000 0.282 107 W C 1.472 177.975 176.519 -0.028 0.000 1.197 107 W CA 0.022 57.344 57.345 -0.038 0.000 1.376 107 W CB 0.236 29.673 29.460 -0.039 0.000 1.091 107 W HN 0.513 nan 8.180 nan 0.000 0.569 108 N N 2.006 120.828 118.700 0.204 0.000 2.414 108 N HA -0.041 4.699 4.740 0.000 0.000 0.268 108 N C -1.839 173.741 175.510 0.118 0.000 1.286 108 N CA -0.506 52.623 53.050 0.131 0.000 0.896 108 N CB 1.172 39.714 38.487 0.090 0.000 1.093 108 N HN -0.123 nan 8.380 nan 0.000 0.480 109 P HA -0.150 nan 4.420 nan 0.000 0.216 109 P C 1.511 178.881 177.300 0.117 0.000 1.150 109 P CA 0.810 63.963 63.100 0.088 0.000 0.843 109 P CB 0.328 32.054 31.700 0.044 0.000 0.787 110 I N -0.761 119.860 120.570 0.086 0.000 2.133 110 I HA -0.171 3.999 4.170 0.000 0.000 0.238 110 I C 2.044 178.215 176.117 0.091 0.000 1.074 110 I CA 1.898 63.240 61.300 0.071 0.000 1.342 110 I CB -2.096 35.940 38.000 0.060 0.000 1.053 110 I HN 0.015 nan 8.210 nan 0.000 0.404 111 T N 0.570 115.185 114.554 0.101 0.000 2.699 111 T HA -0.273 4.077 4.350 0.000 0.000 0.268 111 T C 1.882 176.642 174.700 0.101 0.000 1.036 111 T CA 1.776 63.947 62.100 0.119 0.000 1.147 111 T CB -0.694 68.213 68.868 0.065 0.000 0.862 111 T HN 0.336 nan 8.240 nan 0.000 0.446 112 Y N 1.691 121.966 120.300 -0.042 0.000 2.145 112 Y HA -0.083 4.467 4.550 0.000 0.000 0.286 112 Y C 2.054 177.940 175.900 -0.022 0.000 1.145 112 Y CA 1.111 59.164 58.100 -0.078 0.000 1.148 112 Y CB -0.492 37.902 38.460 -0.111 0.000 0.981 112 Y HN 0.117 nan 8.280 nan 0.000 0.507 113 L N -0.098 121.179 121.223 0.091 0.000 2.079 113 L HA -0.229 4.111 4.340 0.000 0.000 0.210 113 L C 2.166 178.983 176.870 -0.088 0.000 1.081 113 L CA 1.812 56.648 54.840 -0.007 0.000 0.752 113 L CB -0.603 41.470 42.059 0.024 0.000 0.896 113 L HN 0.251 nan 8.230 nan 0.000 0.433 114 D N -0.984 119.401 120.400 -0.026 0.000 2.103 114 D HA -0.185 4.455 4.640 0.000 0.000 0.199 114 D C 2.179 178.434 176.300 -0.076 0.000 0.978 114 D CA 1.229 55.216 54.000 -0.021 0.000 0.829 114 D CB 0.048 40.881 40.800 0.054 0.000 0.981 114 D HN 0.298 nan 8.370 nan 0.000 0.464 115 H N -0.157 118.792 119.070 -0.201 0.000 2.319 115 H HA -0.120 4.436 4.556 0.000 0.000 0.299 115 H C 2.136 177.319 175.328 -0.242 0.000 1.092 115 H CA 1.241 57.152 56.048 -0.229 0.000 1.302 115 H CB -0.196 29.459 29.762 -0.179 0.000 1.373 115 H HN 0.288 nan 8.280 nan 0.000 0.497 116 N N 1.067 119.615 118.700 -0.253 0.000 2.104 116 N HA -0.177 4.563 4.740 0.000 0.000 0.190 116 N C 1.809 177.211 175.510 -0.179 0.000 1.024 116 N CA 0.910 53.784 53.050 -0.293 0.000 0.853 116 N CB -0.176 38.022 38.487 -0.481 0.000 1.008 116 N HN 0.411 nan 8.380 nan 0.000 0.424 117 N N -0.043 118.555 118.700 -0.169 0.000 2.216 117 N HA -0.163 4.577 4.740 0.000 0.000 0.183 117 N C 1.879 177.283 175.510 -0.176 0.000 1.017 117 N CA 0.531 53.491 53.050 -0.149 0.000 0.861 117 N CB -0.300 38.114 38.487 -0.122 0.000 0.986 117 N HN 0.199 nan 8.380 nan 0.000 0.428 118 F N 0.990 120.725 119.950 -0.358 0.000 2.046 118 F HA -0.164 4.363 4.527 0.000 0.000 0.297 118 F C 1.791 177.314 175.800 -0.463 0.000 1.123 118 F CA 1.882 59.581 58.000 -0.502 0.000 1.199 118 F CB -0.941 37.574 39.000 -0.809 0.000 0.972 118 F HN 0.077 nan 8.300 nan 0.000 0.474 119 W N 0.493 121.572 121.300 -0.368 0.000 2.363 119 W HA -0.130 4.530 4.660 0.000 0.000 0.296 119 W C 2.795 179.077 176.519 -0.395 0.000 1.212 119 W CA 1.299 58.377 57.345 -0.446 0.000 1.260 119 W CB -0.585 28.693 29.460 -0.304 0.000 1.131 119 W HN -0.026 nan 8.180 nan 0.000 0.530 120 R N 0.211 120.638 120.500 -0.122 0.000 2.075 120 R HA -0.126 4.214 4.340 0.000 0.000 0.232 120 R C 1.920 178.104 176.300 -0.193 0.000 1.126 120 R CA 2.067 58.082 56.100 -0.143 0.000 0.963 120 R CB -0.663 29.550 30.300 -0.145 0.000 0.858 120 R HN 0.025 nan 8.270 nan 0.000 0.435 121 T N 1.533 115.931 114.554 -0.259 0.000 2.746 121 T HA -0.123 4.227 4.350 0.000 0.000 0.267 121 T C 1.880 176.390 174.700 -0.316 0.000 1.039 121 T CA 1.416 63.360 62.100 -0.261 0.000 1.142 121 T CB -0.069 68.646 68.868 -0.255 0.000 0.866 121 T HN 0.175 nan 8.240 nan 0.000 0.444 122 M N 1.575 120.899 119.600 -0.459 0.000 2.106 122 M HA -0.134 4.346 4.480 0.000 0.000 0.259 122 M C 1.832 177.995 176.300 -0.229 0.000 1.068 122 M CA 1.558 56.627 55.300 -0.386 0.000 1.100 122 M CB -1.024 31.301 32.600 -0.458 0.000 1.351 122 M HN 0.202 nan 8.290 nan 0.000 0.404 123 D N 0.370 120.660 120.400 -0.183 0.000 2.149 123 D HA -0.110 4.530 4.640 0.000 0.000 0.201 123 D C 1.595 177.826 176.300 -0.116 0.000 0.972 123 D CA 0.977 54.897 54.000 -0.133 0.000 0.835 123 D CB -0.266 40.471 40.800 -0.105 0.000 0.966 123 D HN 0.289 nan 8.370 nan 0.000 0.476 124 D N 0.478 120.807 120.400 -0.119 0.000 2.104 124 D HA -0.139 4.501 4.640 0.000 0.000 0.194 124 D C 2.190 178.470 176.300 -0.032 0.000 0.994 124 D CA 0.868 54.822 54.000 -0.076 0.000 0.830 124 D CB -0.270 40.483 40.800 -0.079 0.000 0.959 124 D HN 0.256 nan 8.370 nan 0.000 0.452 125 M N 0.216 119.763 119.600 -0.089 0.000 2.175 125 M HA -0.036 4.444 4.480 0.000 0.000 0.264 125 M C 2.337 178.662 176.300 0.042 0.000 1.063 125 M CA 1.525 56.783 55.300 -0.070 0.000 1.119 125 M CB -0.397 31.894 32.600 -0.515 0.000 1.377 125 M HN 0.029 nan 8.290 nan 0.000 0.415 126 G N 0.422 109.190 108.800 -0.053 0.000 2.440 126 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 126 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 126 G C 1.602 176.495 174.900 -0.011 0.000 1.154 126 G CA 0.654 45.729 45.100 -0.042 0.000 0.767 126 G HN 0.404 nan 8.290 nan 0.000 0.552 127 R N 0.210 120.698 120.500 -0.019 0.000 2.193 127 R HA -0.014 4.326 4.340 0.000 0.000 0.229 127 R C 1.880 178.185 176.300 0.008 0.000 1.110 127 R CA 0.923 57.009 56.100 -0.024 0.000 0.988 127 R CB 0.013 30.294 30.300 -0.032 0.000 0.871 127 R HN 0.275 nan 8.270 nan 0.000 0.458 128 E N 0.299 120.544 120.200 0.075 0.000 2.502 128 E HA 0.052 4.402 4.350 0.000 0.000 0.194 128 E C 0.179 176.807 176.600 0.046 0.000 1.062 128 E CA 0.455 56.896 56.400 0.069 0.000 0.867 128 E CB 0.341 30.121 29.700 0.133 0.000 0.888 128 E HN 0.350 nan 8.360 nan 0.000 0.510 129 I N 2.796 123.408 120.570 0.070 0.000 2.330 129 I HA 0.205 4.375 4.170 0.000 0.000 0.286 129 I C -2.407 173.709 176.117 -0.002 0.000 1.025 129 I CA -2.360 58.977 61.300 0.062 0.000 1.197 129 I CB 1.338 39.439 38.000 0.169 0.000 1.358 129 I HN -0.355 nan 8.210 nan 0.000 0.467 130 P HA 0.095 nan 4.420 nan 0.000 0.267 130 P C 0.556 177.821 177.300 -0.059 0.000 1.205 130 P CA 0.236 63.264 63.100 -0.121 0.000 0.765 130 P CB 0.866 32.438 31.700 -0.214 0.000 0.828 131 S N 2.123 117.807 115.700 -0.027 0.000 2.383 131 S HA -0.169 4.301 4.470 0.000 0.000 0.229 131 S C 1.278 175.968 174.600 0.150 0.000 1.030 131 S CA 1.840 60.103 58.200 0.105 0.000 1.002 131 S CB -0.609 62.569 63.200 -0.037 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.514 120.856 120.400 -0.096 0.000 2.340 132 D HA 0.248 4.888 4.640 0.000 0.000 0.220 132 D C 0.316 176.377 176.300 -0.399 0.000 1.039 132 D CA 0.426 54.322 54.000 -0.174 0.000 0.866 132 D CB 0.067 40.699 40.800 -0.279 0.000 0.913 132 D HN 0.286 nan 8.370 nan 0.000 0.523 133 A N 0.967 123.384 122.820 -0.670 0.000 3.200 133 A HA 0.356 4.676 4.320 0.000 0.000 0.274 133 A C -2.191 174.600 177.584 -1.321 0.000 1.220 133 A CA -0.780 50.350 52.037 -1.512 0.000 0.904 133 A CB 0.843 19.258 19.000 -0.976 0.000 1.415 133 A HN -0.122 nan 8.150 nan 0.000 0.630 134 P HA -0.181 nan 4.420 nan 0.000 0.218 134 P C 1.309 178.415 177.300 -0.324 0.000 1.148 134 P CA 1.624 64.424 63.100 -0.500 0.000 0.822 134 P CB -0.359 31.024 31.700 -0.528 0.000 0.784 135 W N 0.848 122.078 121.300 -0.117 0.000 2.632 135 W HA 0.067 4.727 4.660 0.000 0.000 0.248 135 W C 1.261 177.738 176.519 -0.071 0.000 1.259 135 W CA 0.432 57.729 57.345 -0.080 0.000 1.288 135 W CB -1.475 27.933 29.460 -0.087 0.000 1.136 135 W HN -0.086 nan 8.180 nan 0.000 0.640 136 K N 0.742 120.953 120.400 -0.316 0.000 2.374 136 K HA 0.307 4.627 4.320 0.000 0.000 0.196 136 K C 0.996 177.508 176.600 -0.147 0.000 1.023 136 K CA 0.210 56.392 56.287 -0.175 0.000 1.103 136 K CB 0.022 32.377 32.500 -0.242 0.000 0.848 136 K HN 0.098 nan 8.250 nan 0.000 0.528 137 A N 2.416 125.147 122.820 -0.148 0.000 2.540 137 A HA 0.063 4.383 4.320 0.000 0.000 0.239 137 A C -1.653 175.801 177.584 -0.216 0.000 1.061 137 A CA -0.917 51.025 52.037 -0.157 0.000 0.758 137 A CB 0.073 19.004 19.000 -0.114 0.000 0.991 137 A HN -0.010 nan 8.150 nan 0.000 0.502 138 P HA -0.143 nan 4.420 nan 0.000 0.217 138 P C 0.468 177.570 177.300 -0.329 0.000 1.151 138 P CA 1.269 64.227 63.100 -0.237 0.000 0.849 138 P CB 0.045 31.619 31.700 -0.210 0.000 0.787 139 L N -2.299 118.563 121.223 -0.603 0.000 2.984 139 L HA 0.360 4.700 4.340 0.000 0.000 0.246 139 L C 1.796 178.247 176.870 -0.699 0.000 1.268 139 L CA -0.354 54.030 54.840 -0.760 0.000 1.054 139 L CB -0.454 40.882 42.059 -1.205 0.000 1.393 139 L HN -0.101 nan 8.230 nan 0.000 0.532 140 A N 0.551 123.162 122.820 -0.348 0.000 1.873 140 A HA -0.224 4.096 4.320 0.000 0.000 0.218 140 A C 2.191 179.780 177.584 0.009 0.000 1.193 140 A CA 1.812 53.792 52.037 -0.096 0.000 0.629 140 A CB -0.163 18.831 19.000 -0.009 0.000 0.826 140 A HN 0.528 nan 8.150 nan 0.000 0.447 141 E N -0.906 119.281 120.200 -0.022 0.000 2.031 141 E HA -0.228 4.122 4.350 0.000 0.000 0.193 141 E C 2.147 178.789 176.600 0.070 0.000 0.994 141 E CA 1.212 57.633 56.400 0.034 0.000 0.800 141 E CB -0.302 29.402 29.700 0.008 0.000 0.752 141 E HN 0.842 nan 8.360 nan 0.000 0.447 142 E N 0.309 120.522 120.200 0.022 0.000 2.070 142 E HA -0.220 4.130 4.350 0.000 0.000 0.197 142 E C 1.785 178.559 176.600 0.291 0.000 1.004 142 E CA 1.427 57.887 56.400 0.100 0.000 0.805 142 E CB -0.057 29.659 29.700 0.027 0.000 0.744 142 E HN 0.280 nan 8.360 nan 0.000 0.451 143 W N 0.951 122.296 121.300 0.075 0.000 2.436 143 W HA -0.025 4.636 4.660 0.000 0.000 0.284 143 W C 1.984 178.579 176.519 0.126 0.000 1.225 143 W CA 0.793 58.196 57.345 0.096 0.000 1.271 143 W CB -1.021 28.495 29.460 0.095 0.000 1.114 143 W HN 0.243 nan 8.180 nan 0.000 0.559 144 D N -0.299 120.307 120.400 0.343 0.000 2.224 144 D HA -0.123 4.517 4.640 0.000 0.000 0.205 144 D C 1.355 177.788 176.300 0.221 0.000 0.965 144 D CA 0.931 55.097 54.000 0.277 0.000 0.852 144 D CB -0.220 40.717 40.800 0.229 0.000 0.947 144 D HN -0.101 nan 8.370 nan 0.000 0.494 145 N N -0.503 118.310 118.700 0.189 0.000 2.461 145 N HA 0.067 4.807 4.740 0.000 0.000 0.188 145 N C -0.034 175.560 175.510 0.139 0.000 1.134 145 N CA 0.212 53.349 53.050 0.144 0.000 0.878 145 N CB 0.217 38.771 38.487 0.112 0.000 0.972 145 N HN 0.322 nan 8.380 nan 0.000 0.456 146 M N 0.083 119.783 119.600 0.167 0.000 2.508 146 M HA 0.193 4.673 4.480 0.000 0.000 0.327 146 M C 0.202 176.589 176.300 0.145 0.000 1.160 146 M CA -0.593 54.791 55.300 0.140 0.000 0.980 146 M CB 1.958 34.647 32.600 0.149 0.000 1.693 146 M HN -0.023 nan 8.290 nan 0.000 0.452 147 T N -0.270 114.352 114.554 0.112 0.000 2.816 147 T HA 0.217 4.567 4.350 0.000 0.000 0.282 147 T C 1.155 175.906 174.700 0.084 0.000 0.993 147 T CA -0.829 61.337 62.100 0.109 0.000 0.994 147 T CB 0.806 69.729 68.868 0.091 0.000 1.025 147 T HN 0.620 nan 8.240 nan 0.000 0.529 148 M N 0.266 119.904 119.600 0.063 0.000 2.202 148 M HA -0.019 4.461 4.480 0.000 0.000 0.262 148 M C 2.137 178.425 176.300 -0.019 0.000 1.063 148 M CA 1.638 56.944 55.300 0.010 0.000 1.097 148 M CB -1.440 31.097 32.600 -0.106 0.000 1.382 148 M HN 0.878 nan 8.290 nan 0.000 0.413 149 K N 0.775 121.166 120.400 -0.016 0.000 2.032 149 K HA -0.163 4.157 4.320 0.000 0.000 0.209 149 K C 1.678 178.269 176.600 -0.015 0.000 1.048 149 K CA 1.771 58.048 56.287 -0.015 0.000 0.927 149 K CB -0.143 32.378 32.500 0.035 0.000 0.712 149 K HN 0.406 nan 8.250 nan 0.000 0.441 150 E N 0.059 120.264 120.200 0.008 0.000 2.077 150 E HA -0.195 4.155 4.350 0.000 0.000 0.193 150 E C 1.970 178.569 176.600 -0.002 0.000 0.989 150 E CA 1.209 57.612 56.400 0.005 0.000 0.800 150 E CB -0.217 29.501 29.700 0.030 0.000 0.746 150 E HN 0.211 nan 8.360 nan 0.000 0.452 151 L N 1.224 122.452 121.223 0.008 0.000 2.017 151 L HA -0.177 4.163 4.340 0.000 0.000 0.208 151 L C 2.081 178.954 176.870 0.006 0.000 1.073 151 L CA 1.565 56.406 54.840 0.001 0.000 0.745 151 L CB -0.429 41.626 42.059 -0.008 0.000 0.894 151 L HN 0.125 nan 8.230 nan 0.000 0.432 152 L N -0.757 120.460 121.223 -0.010 0.000 2.042 152 L HA -0.250 4.090 4.340 0.000 0.000 0.210 152 L C 2.281 179.088 176.870 -0.106 0.000 1.076 152 L CA 1.521 56.314 54.840 -0.078 0.000 0.749 152 L CB -1.095 40.869 42.059 -0.159 0.000 0.893 152 L HN 0.290 nan 8.230 nan 0.000 0.432 153 D N 0.361 120.706 120.400 -0.091 0.000 2.149 153 D HA -0.158 4.482 4.640 0.000 0.000 0.198 153 D C 2.220 178.440 176.300 -0.133 0.000 0.990 153 D CA 1.236 55.167 54.000 -0.115 0.000 0.839 153 D CB -0.037 40.707 40.800 -0.092 0.000 0.948 153 D HN 0.347 nan 8.370 nan 0.000 0.460 154 K N -0.287 120.068 120.400 -0.076 0.000 2.062 154 K HA -0.041 4.279 4.320 0.000 0.000 0.205 154 K C 1.869 178.472 176.600 0.004 0.000 1.051 154 K CA 0.391 56.647 56.287 -0.052 0.000 0.941 154 K CB 0.103 32.604 32.500 0.002 0.000 0.719 154 K HN 0.024 nan 8.250 nan 0.000 0.440 155 L N 0.731 121.976 121.223 0.038 0.000 2.127 155 L HA -0.023 4.317 4.340 0.000 0.000 0.203 155 L C 0.595 177.576 176.870 0.186 0.000 1.080 155 L CA 0.940 55.858 54.840 0.130 0.000 0.768 155 L CB -0.113 42.029 42.059 0.140 0.000 0.924 155 L HN 0.111 nan 8.230 nan 0.000 0.444 156 C N -0.649 118.665 119.300 0.023 0.000 2.281 156 C HA 0.116 4.576 4.460 0.000 0.000 0.336 156 C C 0.925 175.923 174.990 0.014 0.000 1.217 156 C CA -1.059 57.943 59.018 -0.026 0.000 1.730 156 C CB -1.330 26.262 27.740 -0.247 0.000 2.338 156 C HN 0.507 nan 8.230 nan 0.000 0.521 157 W N 1.934 123.178 121.300 -0.093 0.000 3.256 157 W HA 0.127 4.787 4.660 0.000 0.000 0.269 157 W C 1.376 177.864 176.519 -0.052 0.000 1.310 157 W CA 0.089 57.399 57.345 -0.060 0.000 1.673 157 W CB -0.197 29.240 29.460 -0.039 0.000 1.115 157 W HN 0.667 nan 8.180 nan 0.000 0.686 158 T N -3.700 110.916 114.554 0.104 0.000 2.863 158 T HA 0.292 4.642 4.350 0.000 0.000 0.285 158 T C 0.836 175.523 174.700 -0.023 0.000 1.009 158 T CA -0.656 61.476 62.100 0.053 0.000 0.989 158 T CB 2.607 71.531 68.868 0.092 0.000 1.004 158 T HN -0.218 nan 8.240 nan 0.000 0.455 159 E N 1.194 121.386 120.200 -0.013 0.000 2.153 159 E HA -0.124 4.226 4.350 0.000 0.000 0.194 159 E C 2.130 178.715 176.600 -0.024 0.000 0.988 159 E CA 1.354 57.734 56.400 -0.033 0.000 0.811 159 E CB -0.341 29.351 29.700 -0.012 0.000 0.746 159 E HN 0.758 nan 8.360 nan 0.000 0.466 160 S N 0.449 116.171 115.700 0.037 0.000 2.368 160 S HA -0.138 4.332 4.470 0.000 0.000 0.225 160 S C 2.074 176.698 174.600 0.040 0.000 1.030 160 S CA 1.424 59.699 58.200 0.125 0.000 0.999 160 S CB -0.033 63.310 63.200 0.239 0.000 0.844 160 S HN 0.278 nan 8.310 nan 0.000 0.459 161 A N 1.245 123.938 122.820 -0.212 0.000 1.930 161 A HA 0.009 4.329 4.320 0.000 0.000 0.217 161 A C 2.185 179.401 177.584 -0.613 0.000 1.175 161 A CA 1.609 53.169 52.037 -0.794 0.000 0.627 161 A CB -0.667 17.858 19.000 -0.791 0.000 0.815 161 A HN 0.631 nan 8.150 nan 0.000 0.443 162 K N -0.378 119.787 120.400 -0.391 0.000 2.057 162 K HA -0.204 4.116 4.320 0.000 0.000 0.207 162 K C 2.233 178.690 176.600 -0.238 0.000 1.049 162 K CA 1.672 57.750 56.287 -0.349 0.000 0.931 162 K CB -0.203 32.163 32.500 -0.224 0.000 0.714 162 K HN 0.629 nan 8.250 nan 0.000 0.440 163 Q N 0.360 120.085 119.800 -0.124 0.000 2.061 163 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 163 Q C 2.126 178.138 176.000 0.019 0.000 0.984 163 Q CA 1.549 57.340 55.803 -0.021 0.000 0.846 163 Q CB -0.144 28.622 28.738 0.047 0.000 0.902 163 Q HN 0.215 nan 8.270 nan 0.000 0.421 164 L N 0.424 121.653 121.223 0.009 0.000 2.072 164 L HA -0.047 4.293 4.340 0.000 0.000 0.205 164 L C 2.142 179.081 176.870 0.115 0.000 1.079 164 L CA 1.890 56.805 54.840 0.126 0.000 0.752 164 L CB -0.868 41.311 42.059 0.201 0.000 0.906 164 L HN 0.146 nan 8.230 nan 0.000 0.436 165 A N -1.606 121.078 122.820 -0.228 0.000 1.908 165 A HA -0.229 4.091 4.320 0.000 0.000 0.218 165 A C 2.273 179.848 177.584 -0.015 0.000 1.181 165 A CA 2.384 54.213 52.037 -0.347 0.000 0.627 165 A CB -1.187 17.101 19.000 -1.187 0.000 0.818 165 A HN 0.492 nan 8.150 nan 0.000 0.445 166 T N -0.036 114.473 114.554 -0.075 0.000 2.708 166 T HA -0.114 4.236 4.350 0.000 0.000 0.266 166 T C 1.862 176.591 174.700 0.048 0.000 1.037 166 T CA 1.397 63.475 62.100 -0.036 0.000 1.146 166 T CB -0.359 68.483 68.868 -0.043 0.000 0.865 166 T HN 0.407 nan 8.240 nan 0.000 0.435 167 L N 0.100 121.399 121.223 0.125 0.000 2.046 167 L HA -0.019 4.321 4.340 0.000 0.000 0.208 167 L C 2.223 179.217 176.870 0.207 0.000 1.077 167 L CA 1.373 56.315 54.840 0.170 0.000 0.747 167 L CB -0.372 41.820 42.059 0.223 0.000 0.896 167 L HN 0.218 nan 8.230 nan 0.000 0.432 168 F N -0.268 119.778 119.950 0.160 0.000 2.091 168 F HA -0.261 4.266 4.527 0.000 0.000 0.299 168 F C 2.059 177.978 175.800 0.197 0.000 1.103 168 F CA 2.169 60.312 58.000 0.239 0.000 1.228 168 F CB -0.481 38.826 39.000 0.512 0.000 0.984 168 F HN -0.128 nan 8.300 nan 0.000 0.477 169 V N 0.893 120.821 119.914 0.024 0.000 2.270 169 V HA -0.332 3.788 4.120 0.000 0.000 0.245 169 V C 2.016 177.990 176.094 -0.200 0.000 1.043 169 V CA 2.396 64.493 62.300 -0.337 0.000 1.014 169 V CB -1.063 30.424 31.823 -0.560 0.000 0.645 169 V HN 0.397 nan 8.190 nan 0.000 0.447 170 N N 0.195 118.824 118.700 -0.118 0.000 2.060 170 N HA -0.252 4.488 4.740 0.000 0.000 0.195 170 N C 1.778 177.243 175.510 -0.075 0.000 1.028 170 N CA 1.566 54.563 53.050 -0.088 0.000 0.861 170 N CB -0.260 38.220 38.487 -0.011 0.000 1.029 170 N HN 0.349 nan 8.380 nan 0.000 0.428 171 L N 0.887 122.083 121.223 -0.044 0.000 2.027 171 L HA -0.047 4.293 4.340 0.000 0.000 0.206 171 L C 2.055 178.926 176.870 0.002 0.000 1.074 171 L CA 1.539 56.356 54.840 -0.037 0.000 0.745 171 L CB -0.601 41.402 42.059 -0.093 0.000 0.898 171 L HN 0.234 nan 8.230 nan 0.000 0.433 172 C N -1.299 117.965 119.300 -0.062 0.000 2.440 172 C HA -0.017 4.443 4.460 0.000 0.000 0.278 172 C C 2.252 177.369 174.990 0.212 0.000 1.295 172 C CA 0.918 59.977 59.018 0.068 0.000 1.738 172 C CB -0.720 26.987 27.740 -0.055 0.000 1.987 172 C HN 0.599 nan 8.230 nan 0.000 0.492 173 V N -2.418 117.528 119.914 0.053 0.000 3.337 173 V HA 0.295 4.415 4.120 0.000 0.000 0.307 173 V C 0.787 176.756 176.094 -0.209 0.000 1.505 173 V CA 0.778 63.066 62.300 -0.022 0.000 1.072 173 V CB -1.367 30.562 31.823 0.177 0.000 0.929 173 V HN 0.492 nan 8.190 nan 0.000 0.455 174 T N -1.247 113.107 114.554 -0.333 0.000 3.852 174 T HA -0.068 4.282 4.350 0.000 0.000 0.361 174 T C 0.085 174.620 174.700 -0.276 0.000 0.759 174 T CA 1.308 63.179 62.100 -0.380 0.000 1.899 174 T CB -2.585 65.900 68.868 -0.638 0.000 1.822 174 T HN 2.450 nan 8.240 nan 0.000 0.778 175 A N -0.190 122.459 122.820 -0.286 0.000 2.587 175 A HA 0.725 5.045 4.320 0.000 0.000 0.293 175 A C -0.442 176.929 177.584 -0.355 0.000 1.087 175 A CA -1.069 50.721 52.037 -0.411 0.000 0.692 175 A CB 1.241 19.767 19.000 -0.790 0.000 1.291 175 A HN 0.367 nan 8.150 nan 0.000 0.407 176 E N 0.619 120.564 120.200 -0.424 0.000 2.349 176 E HA 0.236 4.586 4.350 0.000 0.000 0.265 176 E C 1.237 177.526 176.600 -0.518 0.000 1.064 176 E CA 0.503 56.615 56.400 -0.481 0.000 0.886 176 E CB 0.927 30.155 29.700 -0.786 0.000 1.036 176 E HN 0.816 nan 8.360 nan 0.000 0.413 177 T N -1.136 113.190 114.554 -0.381 0.000 2.803 177 T HA -0.226 4.124 4.350 0.000 0.000 0.269 177 T C 1.434 176.015 174.700 -0.198 0.000 1.052 177 T CA 1.765 63.706 62.100 -0.266 0.000 1.136 177 T CB -0.427 68.341 68.868 -0.167 0.000 0.864 177 T HN 0.642 nan 8.240 nan 0.000 0.467 178 H N 0.444 119.463 119.070 -0.085 0.000 2.555 178 H HA 0.273 4.829 4.556 0.000 0.000 0.269 178 H C 1.450 176.754 175.328 -0.039 0.000 0.988 178 H CA 0.718 56.734 56.048 -0.053 0.000 1.178 178 H CB -0.148 29.581 29.762 -0.054 0.000 1.373 178 H HN 0.514 nan 8.280 nan 0.000 0.588 179 E N 1.381 121.430 120.200 -0.252 0.000 2.276 179 E HA 0.051 4.401 4.350 0.000 0.000 0.193 179 E C 0.779 177.359 176.600 -0.034 0.000 0.983 179 E CA 0.368 56.692 56.400 -0.125 0.000 0.861 179 E CB 0.896 30.376 29.700 -0.366 0.000 0.817 179 E HN 0.348 nan 8.360 nan 0.000 0.485 180 V N -0.750 119.130 119.914 -0.056 0.000 2.630 180 V HA 0.414 4.534 4.120 0.000 0.000 0.305 180 V C 0.040 176.279 176.094 0.242 0.000 1.046 180 V CA -1.158 61.215 62.300 0.123 0.000 0.934 180 V CB 1.817 33.755 31.823 0.191 0.000 1.003 180 V HN -0.012 nan 8.190 nan 0.000 0.451 181 S N 3.444 119.358 115.700 0.356 0.000 2.560 181 S HA 0.426 4.896 4.470 0.000 0.000 0.284 181 S C 1.419 176.279 174.600 0.433 0.000 1.327 181 S CA 0.215 58.640 58.200 0.376 0.000 1.055 181 S CB 0.964 64.423 63.200 0.431 0.000 0.868 181 S HN 1.757 nan 8.310 nan 0.000 0.506 182 A N 4.717 127.726 122.820 0.314 0.000 1.898 182 A HA 0.001 4.321 4.320 0.000 0.000 0.216 182 A C 2.032 179.802 177.584 0.311 0.000 1.181 182 A CA 1.482 53.678 52.037 0.265 0.000 0.620 182 A CB -0.945 18.132 19.000 0.128 0.000 0.819 182 A HN 0.950 nan 8.150 nan 0.000 0.442 183 L N -1.418 120.029 121.223 0.374 0.000 2.013 183 L HA -0.186 4.155 4.340 0.000 0.000 0.212 183 L C 2.230 179.347 176.870 0.412 0.000 1.073 183 L CA 2.563 57.654 54.840 0.418 0.000 0.753 183 L CB -0.742 41.568 42.059 0.419 0.000 0.890 183 L HN 0.667 nan 8.230 nan 0.000 0.432 184 W N -0.709 120.770 121.300 0.297 0.000 2.358 184 W HA -0.283 4.377 4.660 0.000 0.000 0.303 184 W C 2.354 179.152 176.519 0.465 0.000 1.208 184 W CA 1.902 59.450 57.345 0.338 0.000 1.274 184 W CB -0.618 29.030 29.460 0.313 0.000 1.138 184 W HN 0.284 nan 8.180 nan 0.000 0.515 185 F N 0.627 120.676 119.950 0.166 0.000 2.186 185 F HA -0.124 4.403 4.527 0.000 0.000 0.299 185 F C 2.020 177.773 175.800 -0.079 0.000 1.090 185 F CA 1.936 59.849 58.000 -0.145 0.000 1.307 185 F CB -0.566 38.489 39.000 0.091 0.000 1.019 185 F HN -0.185 nan 8.300 nan 0.000 0.489 186 L N -1.374 119.863 121.223 0.022 0.000 2.093 186 L HA -0.188 4.152 4.340 0.000 0.000 0.208 186 L C 2.250 179.051 176.870 -0.114 0.000 1.085 186 L CA 1.399 56.191 54.840 -0.080 0.000 0.755 186 L CB -0.973 41.064 42.059 -0.036 0.000 0.904 186 L HN 0.423 nan 8.230 nan 0.000 0.435 187 W N 0.178 121.360 121.300 -0.196 0.000 2.355 187 W HA -0.297 4.363 4.660 0.000 0.000 0.309 187 W C 2.633 178.950 176.519 -0.337 0.000 1.206 187 W CA 1.459 58.672 57.345 -0.220 0.000 1.284 187 W CB -0.664 28.696 29.460 -0.167 0.000 1.145 187 W HN 0.097 nan 8.180 nan 0.000 0.502 188 Y N 0.674 120.509 120.300 -0.776 0.000 2.165 188 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 188 Y C 2.367 177.700 175.900 -0.945 0.000 1.155 188 Y CA 2.988 60.409 58.100 -1.132 0.000 1.164 188 Y CB -0.821 36.954 38.460 -1.142 0.000 0.978 188 Y HN -0.133 nan 8.280 nan 0.000 0.513 189 V N 1.004 120.482 119.914 -0.726 0.000 2.270 189 V HA -0.294 3.826 4.120 0.000 0.000 0.245 189 V C 2.533 178.285 176.094 -0.569 0.000 1.043 189 V CA 2.234 64.184 62.300 -0.584 0.000 1.014 189 V CB -0.726 30.852 31.823 -0.408 0.000 0.645 189 V HN 0.326 nan 8.190 nan 0.000 0.447 190 K N 1.147 121.245 120.400 -0.502 0.000 2.044 190 K HA -0.281 4.039 4.320 0.000 0.000 0.210 190 K C 2.136 178.409 176.600 -0.545 0.000 1.049 190 K CA 2.509 58.539 56.287 -0.427 0.000 0.927 190 K CB -0.282 32.040 32.500 -0.297 0.000 0.713 190 K HN 0.720 nan 8.250 nan 0.000 0.443 191 Q N -0.680 118.652 119.800 -0.780 0.000 2.515 191 Q HA -0.008 4.332 4.340 0.000 0.000 0.212 191 Q C 1.427 176.912 176.000 -0.859 0.000 0.970 191 Q CA 1.046 56.398 55.803 -0.751 0.000 0.941 191 Q CB -0.508 27.627 28.738 -1.004 0.000 0.998 191 Q HN 0.178 nan 8.270 nan 0.000 0.518 192 C N 0.288 118.921 119.300 -1.112 0.000 2.693 192 C HA 0.616 5.076 4.460 0.000 0.000 0.286 192 C C 1.510 175.734 174.990 -1.276 0.000 1.277 192 C CA 0.104 58.061 59.018 -1.768 0.000 1.705 192 C CB -0.937 25.777 27.740 -1.709 0.000 1.879 192 C HN 0.830 nan 8.230 nan 0.000 0.607 193 G N 0.245 108.636 108.800 -0.682 0.000 2.157 193 G HA2 0.273 4.233 3.960 0.000 0.000 0.239 193 G HA3 0.273 4.233 3.960 0.000 0.000 0.239 193 G C 0.469 175.196 174.900 -0.287 0.000 0.982 193 G CA 0.044 44.919 45.100 -0.374 0.000 0.650 193 G HN 1.664 nan 8.290 nan 0.000 0.527 194 G N -2.191 106.415 108.800 -0.324 0.000 2.592 194 G HA2 0.321 4.281 3.960 0.000 0.000 0.684 194 G HA3 0.321 4.281 3.960 0.000 0.000 0.684 194 G C 1.029 175.847 174.900 -0.137 0.000 1.291 194 G CA 0.921 45.897 45.100 -0.205 0.000 0.891 194 G HN 1.843 nan 8.290 nan 0.000 0.544 195 T N -2.811 111.711 114.554 -0.053 0.000 2.720 195 T HA -0.134 4.216 4.350 0.000 0.000 0.268 195 T C 2.333 176.995 174.700 -0.064 0.000 1.037 195 T CA 2.966 65.075 62.100 0.015 0.000 1.144 195 T CB -0.753 68.110 68.868 -0.008 0.000 0.864 195 T HN 0.963 nan 8.240 nan 0.000 0.444 196 T N 1.261 115.762 114.554 -0.087 0.000 2.737 196 T HA 0.013 4.363 4.350 0.000 0.000 0.265 196 T C 2.129 176.757 174.700 -0.119 0.000 1.038 196 T CA 1.343 63.359 62.100 -0.140 0.000 1.144 196 T CB -0.292 68.539 68.868 -0.061 0.000 0.866 196 T HN 0.283 nan 8.240 nan 0.000 0.434 197 R N 0.956 121.405 120.500 -0.084 0.000 2.096 197 R HA 0.153 4.493 4.340 0.000 0.000 0.235 197 R C 2.195 178.499 176.300 0.007 0.000 1.127 197 R CA 1.075 57.154 56.100 -0.035 0.000 0.968 197 R CB -0.833 29.431 30.300 -0.061 0.000 0.861 197 R HN 0.452 nan 8.270 nan 0.000 0.440 198 I N 0.262 120.791 120.570 -0.069 0.000 2.353 198 I HA -0.167 4.003 4.170 0.000 0.000 0.248 198 I C 1.573 177.719 176.117 0.048 0.000 1.119 198 I CA 1.262 62.552 61.300 -0.017 0.000 1.417 198 I CB 0.078 38.015 38.000 -0.105 0.000 1.078 198 I HN 0.314 nan 8.210 nan 0.000 0.421 199 I N -2.597 117.979 120.570 0.010 0.000 3.427 199 I HA 0.140 4.310 4.170 0.000 0.000 0.288 199 I C 0.956 177.006 176.117 -0.112 0.000 1.249 199 I CA -0.029 61.242 61.300 -0.048 0.000 1.421 199 I CB -0.183 37.757 38.000 -0.100 0.000 1.086 199 I HN -0.111 nan 8.210 nan 0.000 0.448 200 S N 1.308 116.937 115.700 -0.117 0.000 2.580 200 S HA 0.244 4.714 4.470 0.000 0.000 0.274 200 S C 1.014 175.570 174.600 -0.074 0.000 1.329 200 S CA -0.122 58.009 58.200 -0.115 0.000 1.036 200 S CB 1.510 64.643 63.200 -0.111 0.000 0.919 200 S HN 0.333 nan 8.310 nan 0.000 0.515 201 T N 2.081 116.593 114.554 -0.070 0.000 2.896 201 T HA 0.030 4.380 4.350 0.000 0.000 0.238 201 T C 0.619 175.276 174.700 -0.072 0.000 1.045 201 T CA 0.614 62.665 62.100 -0.082 0.000 1.248 201 T CB -0.361 68.459 68.868 -0.080 0.000 0.955 201 T HN 0.601 nan 8.240 nan 0.000 0.416 202 T N 3.529 118.049 114.554 -0.057 0.000 2.871 202 T HA 0.112 4.462 4.350 0.000 0.000 0.296 202 T C 0.748 175.421 174.700 -0.044 0.000 0.998 202 T CA 0.438 62.511 62.100 -0.044 0.000 1.162 202 T CB -0.127 68.724 68.868 -0.029 0.000 0.947 202 T HN 0.533 nan 8.240 nan 0.000 0.536 203 N N 0.736 119.411 118.700 -0.041 0.000 2.800 203 N HA -0.151 4.589 4.740 0.000 0.000 0.250 203 N C 0.180 175.672 175.510 -0.030 0.000 1.078 203 N CA 1.525 54.555 53.050 -0.033 0.000 0.804 203 N CB -1.058 37.416 38.487 -0.023 0.000 1.135 203 N HN 0.930 nan 8.380 nan 0.000 0.565 204 G N -3.140 105.634 108.800 -0.043 0.000 3.086 204 G HA2 0.564 4.524 3.960 0.000 0.000 0.282 204 G HA3 0.564 4.524 3.960 0.000 0.000 0.282 204 G C 1.008 175.874 174.900 -0.056 0.000 1.343 204 G CA -0.028 45.061 45.100 -0.018 0.000 0.895 204 G HN 0.310 nan 8.290 nan 0.000 0.557 205 G N -0.889 107.910 108.800 -0.002 0.000 2.462 205 G HA2 -0.063 3.897 3.960 0.000 0.000 0.220 205 G HA3 -0.063 3.897 3.960 0.000 0.000 0.220 205 G C 1.209 176.030 174.900 -0.132 0.000 1.121 205 G CA 1.075 46.089 45.100 -0.144 0.000 0.758 205 G HN 0.420 nan 8.290 nan 0.000 0.559 206 Q N -0.537 119.194 119.800 -0.114 0.000 2.188 206 Q HA 0.278 4.618 4.340 0.000 0.000 0.212 206 Q C 1.673 177.586 176.000 -0.145 0.000 0.846 206 Q CA -0.132 55.552 55.803 -0.197 0.000 0.989 206 Q CB 0.716 29.231 28.738 -0.372 0.000 1.114 206 Q HN 0.616 nan 8.270 nan 0.000 0.488 207 E N 0.542 120.670 120.200 -0.119 0.000 2.110 207 E HA -0.104 4.246 4.350 0.000 0.000 0.193 207 E C -0.069 176.458 176.600 -0.122 0.000 0.988 207 E CA 0.842 57.176 56.400 -0.110 0.000 0.804 207 E CB 0.413 30.047 29.700 -0.110 0.000 0.745 207 E HN 0.151 nan 8.360 nan 0.000 0.458 208 R N -0.860 119.548 120.500 -0.154 0.000 2.774 208 R HA 0.413 4.753 4.340 0.000 0.000 0.272 208 R C -1.027 175.063 176.300 -0.351 0.000 1.000 208 R CA -0.736 55.193 56.100 -0.286 0.000 0.906 208 R CB 2.044 32.151 30.300 -0.321 0.000 1.227 208 R HN -0.152 nan 8.270 nan 0.000 0.468 209 K N 0.943 120.973 120.400 -0.616 0.000 2.395 209 K HA 0.441 4.761 4.320 0.000 0.000 0.245 209 K C -0.925 175.347 176.600 -0.547 0.000 1.017 209 K CA -0.788 55.142 56.287 -0.595 0.000 0.852 209 K CB 1.465 33.690 32.500 -0.459 0.000 1.311 209 K HN 0.218 nan 8.250 nan 0.000 0.452 210 F N 0.984 120.871 119.950 -0.105 0.000 2.412 210 F HA 0.120 4.647 4.527 0.000 0.000 0.348 210 F C 0.588 176.450 175.800 0.103 0.000 1.102 210 F CA -0.981 57.009 58.000 -0.017 0.000 1.196 210 F CB 0.952 39.916 39.000 -0.060 0.000 1.144 210 F HN 0.024 nan 8.300 nan 0.000 0.541 211 V N 3.656 123.780 119.914 0.350 0.000 2.493 211 V HA 0.215 4.335 4.120 0.000 0.000 0.292 211 V C 0.954 176.945 176.094 -0.172 0.000 1.016 211 V CA 1.265 63.681 62.300 0.194 0.000 1.097 211 V CB 0.040 31.954 31.823 0.152 0.000 0.947 211 V HN 1.115 nan 8.190 nan 0.000 0.479 212 G N 3.294 111.589 108.800 -0.843 0.000 2.217 212 G HA2 0.143 4.103 3.960 0.000 0.000 0.246 212 G HA3 0.143 4.103 3.960 0.000 0.000 0.246 212 G C 0.772 175.126 174.900 -0.910 0.000 0.990 212 G CA -0.106 44.223 45.100 -1.285 0.000 0.627 212 G HN 2.437 nan 8.290 nan 0.000 0.522 213 G N -1.356 107.207 108.800 -0.394 0.000 2.674 213 G HA2 0.380 4.340 3.960 0.000 0.000 0.686 213 G HA3 0.380 4.340 3.960 0.000 0.000 0.686 213 G C 0.807 175.708 174.900 0.003 0.000 1.195 213 G CA 0.848 45.914 45.100 -0.057 0.000 0.776 213 G HN 1.869 nan 8.290 nan 0.000 0.654 214 S N 0.204 115.967 115.700 0.106 0.000 2.474 214 S HA 0.091 4.561 4.470 0.000 0.000 0.235 214 S C 2.502 177.085 174.600 -0.028 0.000 0.997 214 S CA 1.724 59.979 58.200 0.092 0.000 0.949 214 S CB -0.043 63.273 63.200 0.193 0.000 0.766 214 S HN 2.140 nan 8.310 nan 0.000 0.517 215 G N 1.423 110.221 108.800 -0.005 0.000 2.448 215 G HA2 -0.164 3.796 3.960 0.000 0.000 0.219 215 G HA3 -0.164 3.796 3.960 0.000 0.000 0.219 215 G C 1.447 176.318 174.900 -0.048 0.000 1.127 215 G CA 0.578 45.683 45.100 0.008 0.000 0.766 215 G HN 0.646 nan 8.290 nan 0.000 0.552 216 Q N -0.102 119.633 119.800 -0.109 0.000 2.291 216 Q HA -0.042 4.298 4.340 0.000 0.000 0.206 216 Q C 2.682 178.586 176.000 -0.159 0.000 0.976 216 Q CA 0.847 56.568 55.803 -0.136 0.000 0.875 216 Q CB -0.157 28.475 28.738 -0.177 0.000 0.927 216 Q HN 0.425 nan 8.270 nan 0.000 0.450 217 V N 0.225 120.018 119.914 -0.202 0.000 2.261 217 V HA -0.280 3.840 4.120 0.000 0.000 0.246 217 V C 2.099 178.127 176.094 -0.109 0.000 1.047 217 V CA 2.137 64.318 62.300 -0.198 0.000 1.015 217 V CB -0.501 31.187 31.823 -0.226 0.000 0.642 217 V HN 0.299 nan 8.190 nan 0.000 0.446 218 S N -0.769 114.891 115.700 -0.066 0.000 2.387 218 S HA -0.146 4.324 4.470 0.000 0.000 0.226 218 S C 1.905 176.483 174.600 -0.037 0.000 1.026 218 S CA 1.211 59.390 58.200 -0.035 0.000 0.972 218 S CB -0.203 62.998 63.200 0.002 0.000 0.814 218 S HN 0.682 nan 8.310 nan 0.000 0.477 219 E N 1.223 121.402 120.200 -0.036 0.000 2.051 219 E HA -0.110 4.240 4.350 0.000 0.000 0.192 219 E C 2.340 178.910 176.600 -0.050 0.000 0.991 219 E CA 0.913 57.294 56.400 -0.033 0.000 0.799 219 E CB -0.100 29.582 29.700 -0.029 0.000 0.748 219 E HN 0.347 nan 8.360 nan 0.000 0.449 220 R N 0.297 120.756 120.500 -0.069 0.000 2.115 220 R HA -0.052 4.288 4.340 0.000 0.000 0.230 220 R C 2.385 178.642 176.300 -0.071 0.000 1.111 220 R CA 0.898 56.955 56.100 -0.072 0.000 0.976 220 R CB -0.228 30.019 30.300 -0.087 0.000 0.870 220 R HN 0.229 nan 8.270 nan 0.000 0.445 221 I N 0.639 121.165 120.570 -0.073 0.000 2.315 221 I HA -0.288 3.882 4.170 0.000 0.000 0.248 221 I C 2.670 178.735 176.117 -0.085 0.000 1.117 221 I CA 1.130 62.384 61.300 -0.076 0.000 1.404 221 I CB -0.199 37.760 38.000 -0.067 0.000 1.071 221 I HN 0.203 nan 8.210 nan 0.000 0.419 222 M N 0.929 120.488 119.600 -0.068 0.000 2.108 222 M HA -0.266 4.214 4.480 0.000 0.000 0.261 222 M C 1.729 177.988 176.300 -0.068 0.000 1.066 222 M CA 2.011 57.272 55.300 -0.065 0.000 1.107 222 M CB -0.219 32.355 32.600 -0.043 0.000 1.356 222 M HN 0.150 nan 8.290 nan 0.000 0.406 223 D N 0.637 121.001 120.400 -0.059 0.000 2.104 223 D HA -0.180 4.460 4.640 0.000 0.000 0.194 223 D C 2.025 178.286 176.300 -0.065 0.000 0.994 223 D CA 1.550 55.519 54.000 -0.052 0.000 0.830 223 D CB -0.582 40.192 40.800 -0.045 0.000 0.959 223 D HN 0.436 nan 8.370 nan 0.000 0.452 224 L N 0.062 121.235 121.223 -0.083 0.000 2.131 224 L HA -0.122 4.218 4.340 0.000 0.000 0.210 224 L C 2.382 179.137 176.870 -0.193 0.000 1.092 224 L CA 0.659 55.435 54.840 -0.107 0.000 0.759 224 L CB -0.235 41.759 42.059 -0.109 0.000 0.903 224 L HN 0.033 nan 8.230 nan 0.000 0.435 225 L N -1.280 119.817 121.223 -0.210 0.000 2.477 225 L HA 0.174 4.514 4.340 0.000 0.000 0.220 225 L C 1.653 178.439 176.870 -0.140 0.000 1.106 225 L CA 0.361 55.037 54.840 -0.275 0.000 0.851 225 L CB -0.528 41.397 42.059 -0.224 0.000 0.994 225 L HN 0.427 nan 8.230 nan 0.000 0.462 226 G N 1.904 110.651 108.800 -0.088 0.000 2.583 226 G HA2 -0.446 3.514 3.960 0.000 0.000 0.292 226 G HA3 -0.446 3.514 3.960 0.000 0.000 0.292 226 G C 0.608 175.489 174.900 -0.032 0.000 1.203 226 G CA 0.478 45.551 45.100 -0.044 0.000 0.987 226 G HN 0.495 nan 8.290 nan 0.000 0.554 227 D N 1.002 121.395 120.400 -0.012 0.000 2.378 227 D HA 0.000 4.640 4.640 0.000 0.000 0.227 227 D C 2.093 178.396 176.300 0.005 0.000 1.012 227 D CA 0.886 54.887 54.000 0.002 0.000 0.905 227 D CB -0.328 40.480 40.800 0.015 0.000 0.895 227 D HN 0.630 nan 8.370 nan 0.000 0.532 228 R N -0.073 120.422 120.500 -0.009 0.000 2.235 228 R HA 0.086 4.426 4.340 0.000 0.000 0.213 228 R C 0.364 176.643 176.300 -0.034 0.000 1.059 228 R CA 0.243 56.338 56.100 -0.009 0.000 0.997 228 R CB 0.281 30.572 30.300 -0.016 0.000 0.884 228 R HN 0.075 nan 8.270 nan 0.000 0.462 229 V N 2.967 122.855 119.914 -0.043 0.000 2.406 229 V HA 0.116 4.236 4.120 0.000 0.000 0.272 229 V C -0.102 175.966 176.094 -0.045 0.000 1.043 229 V CA -0.412 61.855 62.300 -0.055 0.000 0.915 229 V CB 1.346 33.137 31.823 -0.053 0.000 0.988 229 V HN 0.046 nan 8.190 nan 0.000 0.466 230 K N 6.530 126.889 120.400 -0.068 0.000 2.334 230 K HA 0.541 4.861 4.320 0.000 0.000 0.265 230 K C -0.719 175.845 176.600 -0.061 0.000 1.039 230 K CA -0.338 55.919 56.287 -0.049 0.000 0.920 230 K CB 1.849 34.314 32.500 -0.059 0.000 1.160 230 K HN 0.494 nan 8.250 nan 0.000 0.451 231 L N 1.543 122.742 121.223 -0.040 0.000 2.399 231 L HA 0.168 4.508 4.340 0.000 0.000 0.266 231 L C 0.726 177.567 176.870 -0.048 0.000 1.114 231 L CA -0.196 54.615 54.840 -0.048 0.000 0.804 231 L CB 0.213 42.254 42.059 -0.031 0.000 1.146 231 L HN 0.699 nan 8.230 nan 0.000 0.451 232 E N 0.514 120.671 120.200 -0.072 0.000 2.389 232 E HA -0.232 4.118 4.350 0.000 0.000 0.243 232 E C -0.495 176.064 176.600 -0.069 0.000 1.154 232 E CA 0.305 56.661 56.400 -0.074 0.000 0.723 232 E CB -0.740 28.939 29.700 -0.035 0.000 1.261 232 E HN 0.351 nan 8.360 nan 0.000 0.390 233 R N 0.139 120.581 120.500 -0.096 0.000 2.860 233 R HA 0.242 4.582 4.340 0.000 0.000 0.282 233 R C -2.696 173.526 176.300 -0.130 0.000 1.408 233 R CA -2.048 54.003 56.100 -0.082 0.000 1.636 233 R CB 0.522 30.779 30.300 -0.070 0.000 1.187 233 R HN -0.001 nan 8.270 nan 0.000 0.611 234 P HA 0.018 nan 4.420 nan 0.000 0.271 234 P C -0.279 176.981 177.300 -0.067 0.000 1.226 234 P CA -0.180 62.812 63.100 -0.181 0.000 0.765 234 P CB 0.925 32.517 31.700 -0.181 0.000 0.835 235 V N 5.673 125.557 119.914 -0.050 0.000 2.572 235 V HA 0.028 4.148 4.120 0.000 0.000 0.291 235 V C 1.772 177.880 176.094 0.024 0.000 1.039 235 V CA 0.466 62.757 62.300 -0.015 0.000 1.055 235 V CB 0.186 31.988 31.823 -0.035 0.000 0.969 235 V HN 0.546 nan 8.190 nan 0.000 0.482 236 I N 1.934 122.533 120.570 0.048 0.000 4.187 236 I HA 0.426 4.596 4.170 0.000 0.000 0.326 236 I C 0.035 176.252 176.117 0.167 0.000 1.302 236 I CA 0.158 61.521 61.300 0.105 0.000 1.196 236 I CB 0.582 38.624 38.000 0.070 0.000 1.095 236 I HN 0.511 nan 8.210 nan 0.000 0.411 237 Y N 1.919 122.169 120.300 -0.083 0.000 2.436 237 Y HA 0.668 5.218 4.550 0.000 0.000 0.327 237 Y C -1.844 173.968 175.900 -0.147 0.000 1.138 237 Y CA -1.522 56.509 58.100 -0.114 0.000 1.042 237 Y CB 1.602 40.025 38.460 -0.062 0.000 1.302 237 Y HN -0.017 nan 8.280 nan 0.000 0.439 238 I N 5.911 126.041 120.570 -0.733 0.000 2.447 238 I HA 0.305 4.475 4.170 0.000 0.000 0.287 238 I C -1.294 174.397 176.117 -0.710 0.000 1.023 238 I CA -0.686 60.256 61.300 -0.598 0.000 1.083 238 I CB 1.804 39.582 38.000 -0.371 0.000 1.245 238 I HN 0.527 nan 8.210 nan 0.000 0.434 239 D N 6.116 126.175 120.400 -0.569 0.000 2.425 239 D HA 0.270 4.910 4.640 0.000 0.000 0.240 239 D C -0.194 176.030 176.300 -0.127 0.000 1.080 239 D CA -0.193 53.592 54.000 -0.359 0.000 0.836 239 D CB 1.715 42.346 40.800 -0.282 0.000 1.125 239 D HN 0.535 nan 8.370 nan 0.000 0.525 240 Q N 1.565 121.333 119.800 -0.053 0.000 2.179 240 Q HA 0.052 4.392 4.340 0.000 0.000 0.213 240 Q C 1.475 177.474 176.000 -0.003 0.000 0.833 240 Q CA 0.019 55.811 55.803 -0.018 0.000 0.990 240 Q CB 0.865 29.608 28.738 0.009 0.000 1.132 240 Q HN 0.580 nan 8.270 nan 0.000 0.493 241 T N -1.948 112.610 114.554 0.006 0.000 2.867 241 T HA -0.025 4.325 4.350 0.000 0.000 0.268 241 T C 1.155 175.862 174.700 0.011 0.000 1.057 241 T CA 0.603 62.714 62.100 0.019 0.000 1.136 241 T CB 0.218 69.108 68.868 0.037 0.000 0.874 241 T HN 0.073 nan 8.240 nan 0.000 0.466 242 R N 0.169 120.672 120.500 0.004 0.000 2.740 242 R HA 0.474 4.814 4.340 0.000 0.000 0.223 242 R C 1.859 178.150 176.300 -0.015 0.000 1.362 242 R CA -0.597 55.503 56.100 -0.000 0.000 1.069 242 R CB 0.400 30.703 30.300 0.005 0.000 1.739 242 R HN 0.122 nan 8.270 nan 0.000 0.533 243 E N 0.425 120.614 120.200 -0.018 0.000 2.072 243 E HA -0.064 4.287 4.350 0.000 0.000 0.190 243 E C -0.347 176.221 176.600 -0.053 0.000 0.982 243 E CA 0.870 57.251 56.400 -0.031 0.000 0.803 243 E CB 0.214 29.900 29.700 -0.024 0.000 0.755 243 E HN 0.267 nan 8.360 nan 0.000 0.453 244 N N 0.060 118.733 118.700 -0.045 0.000 2.443 244 N HA 0.170 4.910 4.740 0.000 0.000 0.295 244 N C -1.071 174.411 175.510 -0.047 0.000 1.076 244 N CA -0.371 52.646 53.050 -0.056 0.000 0.919 244 N CB 2.028 40.494 38.487 -0.035 0.000 1.176 244 N HN -0.192 nan 8.380 nan 0.000 0.487 245 V N 2.575 122.453 119.914 -0.060 0.000 2.572 245 V HA 0.160 4.280 4.120 0.000 0.000 0.291 245 V C 0.344 176.425 176.094 -0.021 0.000 1.039 245 V CA -0.287 61.986 62.300 -0.045 0.000 1.055 245 V CB -0.029 31.768 31.823 -0.044 0.000 0.969 245 V HN 0.374 nan 8.190 nan 0.000 0.482 246 L N 5.810 127.015 121.223 -0.031 0.000 2.272 246 L HA 0.557 4.897 4.340 0.000 0.000 0.289 246 L C -0.564 176.289 176.870 -0.030 0.000 1.032 246 L CA -0.558 54.281 54.840 -0.003 0.000 0.810 246 L CB 1.606 43.679 42.059 0.023 0.000 1.205 246 L HN 0.362 nan 8.230 nan 0.000 0.422 247 V N 2.926 122.868 119.914 0.047 0.000 2.378 247 V HA 0.312 4.432 4.120 0.000 0.000 0.288 247 V C -0.086 176.098 176.094 0.151 0.000 1.016 247 V CA -0.590 61.739 62.300 0.049 0.000 0.840 247 V CB 1.696 33.546 31.823 0.045 0.000 0.994 247 V HN 0.740 nan 8.190 nan 0.000 0.431 248 E N 3.086 123.374 120.200 0.148 0.000 2.204 248 E HA 0.640 4.990 4.350 0.000 0.000 0.276 248 E C -0.152 176.522 176.600 0.124 0.000 0.974 248 E CA -0.453 56.054 56.400 0.178 0.000 0.815 248 E CB 1.725 31.563 29.700 0.230 0.000 1.119 248 E HN 0.824 nan 8.360 nan 0.000 0.393 249 T N 0.948 115.566 114.554 0.108 0.000 2.952 249 T HA 0.206 4.556 4.350 0.000 0.000 0.286 249 T C 0.902 175.570 174.700 -0.054 0.000 1.024 249 T CA -0.842 61.282 62.100 0.041 0.000 1.029 249 T CB 1.143 70.056 68.868 0.075 0.000 1.094 249 T HN 0.445 nan 8.240 nan 0.000 0.515 250 L N 1.670 122.839 121.223 -0.090 0.000 2.083 250 L HA 0.032 4.372 4.340 0.000 0.000 0.209 250 L C 1.941 178.570 176.870 -0.402 0.000 1.083 250 L CA 2.146 56.873 54.840 -0.188 0.000 0.752 250 L CB -1.097 40.909 42.059 -0.088 0.000 0.899 250 L HN 0.943 nan 8.230 nan 0.000 0.433 251 N N -2.360 116.208 118.700 -0.221 0.000 2.485 251 N HA -0.092 4.648 4.740 0.000 0.000 0.199 251 N C -0.304 175.186 175.510 -0.033 0.000 1.236 251 N CA 0.404 53.373 53.050 -0.135 0.000 0.852 251 N CB -0.515 37.974 38.487 0.002 0.000 1.018 251 N HN 0.515 nan 8.380 nan 0.000 0.457 252 H N -2.422 116.664 119.070 0.026 0.000 2.973 252 H HA -0.128 4.428 4.556 0.000 0.000 0.285 252 H C -1.018 174.313 175.328 0.006 0.000 1.277 252 H CA 0.764 56.818 56.048 0.010 0.000 1.137 252 H CB -2.022 27.737 29.762 -0.005 0.000 1.326 252 H HN 0.582 nan 8.280 nan 0.000 0.398 253 E N 0.433 120.684 120.200 0.085 0.000 2.221 253 E HA 0.603 4.953 4.350 0.000 0.000 0.268 253 E C -0.072 176.533 176.600 0.007 0.000 0.933 253 E CA -1.094 55.318 56.400 0.020 0.000 0.809 253 E CB 1.542 31.270 29.700 0.048 0.000 1.190 253 E HN 0.017 nan 8.360 nan 0.000 0.406 254 M N 2.116 121.615 119.600 -0.170 0.000 2.393 254 M HA 0.394 4.874 4.480 0.000 0.000 0.316 254 M C -1.608 174.478 176.300 -0.355 0.000 1.087 254 M CA -0.648 54.588 55.300 -0.106 0.000 0.937 254 M CB 1.228 33.797 32.600 -0.051 0.000 1.668 254 M HN 0.538 nan 8.290 nan 0.000 0.438 255 Y N 0.470 120.778 120.300 0.012 0.000 2.462 255 Y HA 0.496 5.046 4.550 0.000 0.000 0.346 255 Y C -0.072 175.828 175.900 -0.001 0.000 0.976 255 Y CA -0.745 57.358 58.100 0.004 0.000 1.044 255 Y CB 1.759 40.219 38.460 0.000 0.000 1.230 255 Y HN 0.554 nan 8.280 nan 0.000 0.455 256 E N 1.788 122.060 120.200 0.120 0.000 2.210 256 E HA 0.847 5.197 4.350 0.000 0.000 0.266 256 E C -1.502 175.132 176.600 0.057 0.000 0.883 256 E CA -0.679 55.756 56.400 0.058 0.000 0.761 256 E CB 1.332 31.043 29.700 0.019 0.000 1.156 256 E HN 0.781 nan 8.360 nan 0.000 0.412 257 A N 3.568 126.403 122.820 0.025 0.000 2.593 257 A HA 0.372 4.692 4.320 0.000 0.000 0.290 257 A C -0.092 177.455 177.584 -0.062 0.000 1.126 257 A CA -0.648 51.396 52.037 0.012 0.000 0.695 257 A CB 1.486 20.512 19.000 0.043 0.000 1.290 257 A HN 0.673 nan 8.150 nan 0.000 0.414 258 K N -0.854 119.486 120.400 -0.100 0.000 2.116 258 K HA 0.110 4.430 4.320 0.000 0.000 0.203 258 K C -0.688 175.519 176.600 -0.655 0.000 1.052 258 K CA 1.450 57.521 56.287 -0.360 0.000 0.952 258 K CB -0.050 32.270 32.500 -0.300 0.000 0.729 258 K HN 0.598 nan 8.250 nan 0.000 0.446 259 Y N -1.078 119.244 120.300 0.037 0.000 2.588 259 Y HA 0.389 4.939 4.550 0.000 0.000 0.343 259 Y C -0.688 175.237 175.900 0.040 0.000 1.065 259 Y CA -1.301 56.837 58.100 0.063 0.000 1.038 259 Y CB 1.930 40.423 38.460 0.054 0.000 1.297 259 Y HN -0.418 nan 8.280 nan 0.000 0.467 260 V N 3.327 123.377 119.914 0.226 0.000 2.656 260 V HA 0.476 4.596 4.120 0.000 0.000 0.307 260 V C -0.649 175.489 176.094 0.074 0.000 1.051 260 V CA -0.842 61.516 62.300 0.097 0.000 0.893 260 V CB 2.065 33.908 31.823 0.033 0.000 0.999 260 V HN 0.551 nan 8.190 nan 0.000 0.426 261 I N 2.949 123.533 120.570 0.023 0.000 2.339 261 I HA 0.330 4.500 4.170 0.000 0.000 0.290 261 I C 0.341 176.437 176.117 -0.036 0.000 0.994 261 I CA -0.138 61.155 61.300 -0.013 0.000 1.191 261 I CB 1.853 39.857 38.000 0.005 0.000 1.343 261 I HN 0.599 nan 8.210 nan 0.000 0.458 262 S N 5.373 121.012 115.700 -0.102 0.000 2.400 262 S HA 0.496 4.966 4.470 0.000 0.000 0.295 262 S C 0.521 175.190 174.600 0.116 0.000 1.113 262 S CA -0.442 57.768 58.200 0.017 0.000 1.064 262 S CB 0.484 63.715 63.200 0.051 0.000 0.990 262 S HN 0.723 nan 8.310 nan 0.000 0.502 263 A N 5.763 128.644 122.820 0.102 0.000 2.701 263 A HA 0.428 4.748 4.320 0.000 0.000 0.297 263 A C 0.402 178.060 177.584 0.124 0.000 1.197 263 A CA -0.660 51.445 52.037 0.113 0.000 0.963 263 A CB -0.452 18.590 19.000 0.071 0.000 1.175 263 A HN 0.905 nan 8.150 nan 0.000 0.531 264 I N -3.631 117.030 120.570 0.151 0.000 2.707 264 I HA 0.662 4.832 4.170 0.000 0.000 0.309 264 I C -2.865 173.347 176.117 0.159 0.000 1.001 264 I CA -3.006 58.383 61.300 0.147 0.000 1.129 264 I CB 1.356 39.445 38.000 0.147 0.000 1.308 264 I HN -0.159 nan 8.210 nan 0.000 0.466 265 P HA 0.141 nan 4.420 nan 0.000 0.264 265 P C -2.180 175.177 177.300 0.095 0.000 1.183 265 P CA -0.705 62.466 63.100 0.118 0.000 0.763 265 P CB -0.037 31.719 31.700 0.093 0.000 0.807 266 P HA -0.242 nan 4.420 nan 0.000 0.217 266 P C 1.615 178.902 177.300 -0.021 0.000 1.158 266 P CA 1.923 65.036 63.100 0.021 0.000 0.887 266 P CB -0.236 31.449 31.700 -0.026 0.000 0.792 267 T N -1.465 113.052 114.554 -0.062 0.000 2.915 267 T HA -0.036 4.314 4.350 0.000 0.000 0.269 267 T C 1.487 176.176 174.700 -0.019 0.000 1.071 267 T CA 0.660 62.710 62.100 -0.084 0.000 1.132 267 T CB -0.759 68.025 68.868 -0.141 0.000 0.878 267 T HN -0.036 nan 8.240 nan 0.000 0.479 268 L N 0.430 121.670 121.223 0.029 0.000 2.551 268 L HA 0.131 4.471 4.340 0.000 0.000 0.228 268 L C 2.827 179.767 176.870 0.116 0.000 1.153 268 L CA 0.705 55.589 54.840 0.072 0.000 0.851 268 L CB -0.892 41.233 42.059 0.110 0.000 0.959 268 L HN 0.342 nan 8.230 nan 0.000 0.451 269 G N 0.197 109.078 108.800 0.135 0.000 2.485 269 G HA2 -0.287 3.673 3.960 0.000 0.000 0.221 269 G HA3 -0.287 3.673 3.960 0.000 0.000 0.221 269 G C 1.606 176.640 174.900 0.224 0.000 1.115 269 G CA 0.416 45.653 45.100 0.228 0.000 0.751 269 G HN 0.161 nan 8.290 nan 0.000 0.567 270 M N 0.349 120.008 119.600 0.097 0.000 2.279 270 M HA 0.001 4.481 4.480 0.000 0.000 0.264 270 M C 2.159 178.466 176.300 0.012 0.000 1.062 270 M CA 1.012 56.336 55.300 0.041 0.000 1.099 270 M CB -0.521 32.067 32.600 -0.020 0.000 1.394 270 M HN 0.232 nan 8.290 nan 0.000 0.426 271 K N 0.019 120.447 120.400 0.048 0.000 2.504 271 K HA 0.131 4.451 4.320 0.000 0.000 0.195 271 K C 0.407 177.038 176.600 0.051 0.000 1.036 271 K CA 0.455 56.773 56.287 0.053 0.000 0.984 271 K CB 0.118 32.686 32.500 0.113 0.000 0.788 271 K HN 0.329 nan 8.250 nan 0.000 0.488 272 I N 1.103 121.674 120.570 0.002 0.000 2.412 272 I HA 0.129 4.299 4.170 0.000 0.000 0.296 272 I C 0.164 176.140 176.117 -0.236 0.000 0.987 272 I CA -0.745 60.474 61.300 -0.135 0.000 1.180 272 I CB 1.358 39.130 38.000 -0.380 0.000 1.340 272 I HN 0.025 nan 8.210 nan 0.000 0.455 273 H N 5.836 124.816 119.070 -0.151 0.000 2.489 273 H HA 0.379 4.935 4.556 0.000 0.000 0.322 273 H C -1.147 174.097 175.328 -0.140 0.000 1.091 273 H CA -0.283 55.779 56.048 0.023 0.000 1.291 273 H CB 1.332 31.192 29.762 0.163 0.000 1.436 273 H HN 0.315 nan 8.280 nan 0.000 0.480 274 F N 1.763 121.818 119.950 0.175 0.000 2.480 274 F HA 0.182 4.709 4.527 0.000 0.000 0.329 274 F C 0.541 176.386 175.800 0.076 0.000 1.091 274 F CA -0.748 57.282 58.000 0.051 0.000 0.972 274 F CB 1.452 40.469 39.000 0.028 0.000 1.150 274 F HN 0.467 nan 8.300 nan 0.000 0.467 275 N N 4.040 122.826 118.700 0.143 0.000 2.480 275 N HA 0.425 5.165 4.740 0.000 0.000 0.289 275 N C -3.099 172.458 175.510 0.079 0.000 1.073 275 N CA -2.297 50.834 53.050 0.135 0.000 0.885 275 N CB 2.174 40.774 38.487 0.187 0.000 1.421 275 N HN 0.059 nan 8.380 nan 0.000 0.503 276 P HA 0.341 nan 4.420 nan 0.000 0.274 276 P C -2.639 174.736 177.300 0.124 0.000 1.256 276 P CA -1.065 62.094 63.100 0.097 0.000 0.795 276 P CB -0.384 31.353 31.700 0.061 0.000 1.038 277 P HA 0.038 nan 4.420 nan 0.000 0.267 277 P C 0.117 177.428 177.300 0.019 0.000 1.201 277 P CA 0.366 63.523 63.100 0.096 0.000 0.775 277 P CB 0.138 31.876 31.700 0.063 0.000 0.854 278 L N 3.746 124.927 121.223 -0.070 0.000 2.499 278 L HA 0.076 4.416 4.340 0.000 0.000 0.281 278 L C -1.602 175.210 176.870 -0.097 0.000 1.234 278 L CA -1.429 53.300 54.840 -0.185 0.000 0.839 278 L CB -0.721 41.133 42.059 -0.343 0.000 1.104 278 L HN 0.316 nan 8.230 nan 0.000 0.500 279 P HA -0.061 nan 4.420 nan 0.000 0.268 279 P C 0.675 177.939 177.300 -0.059 0.000 1.208 279 P CA -0.197 62.867 63.100 -0.060 0.000 0.777 279 P CB 0.463 32.127 31.700 -0.059 0.000 0.875 280 M N 1.761 121.340 119.600 -0.035 0.000 2.103 280 M HA -0.245 4.235 4.480 0.000 0.000 0.255 280 M C 1.246 177.549 176.300 0.006 0.000 1.074 280 M CA 2.301 57.591 55.300 -0.017 0.000 1.090 280 M CB -0.329 32.264 32.600 -0.010 0.000 1.325 280 M HN 0.202 nan 8.290 nan 0.000 0.403 281 M N -0.542 119.060 119.600 0.003 0.000 2.099 281 M HA -0.155 4.325 4.480 0.000 0.000 0.262 281 M C 2.283 178.620 176.300 0.062 0.000 1.067 281 M CA 1.776 57.122 55.300 0.077 0.000 1.124 281 M CB -1.472 31.119 32.600 -0.015 0.000 1.353 281 M HN 0.412 nan 8.290 nan 0.000 0.410 282 R N 0.472 120.934 120.500 -0.063 0.000 2.081 282 R HA -0.187 4.153 4.340 0.000 0.000 0.235 282 R C 2.029 178.231 176.300 -0.163 0.000 1.131 282 R CA 1.882 57.892 56.100 -0.150 0.000 0.960 282 R CB -0.278 29.882 30.300 -0.233 0.000 0.856 282 R HN 0.337 nan 8.270 nan 0.000 0.436 283 N N 0.429 119.049 118.700 -0.134 0.000 2.060 283 N HA -0.244 4.496 4.740 0.000 0.000 0.195 283 N C 1.583 177.015 175.510 -0.130 0.000 1.028 283 N CA 2.079 55.057 53.050 -0.120 0.000 0.861 283 N CB -0.030 38.412 38.487 -0.075 0.000 1.029 283 N HN 0.380 nan 8.380 nan 0.000 0.428 284 Q N -1.234 118.491 119.800 -0.125 0.000 2.212 284 Q HA -0.031 4.309 4.340 0.000 0.000 0.199 284 Q C 1.974 177.699 176.000 -0.458 0.000 0.950 284 Q CA 0.561 56.231 55.803 -0.222 0.000 0.863 284 Q CB -0.099 28.572 28.738 -0.111 0.000 0.944 284 Q HN 0.494 nan 8.270 nan 0.000 0.465 285 M N 1.700 121.026 119.600 -0.458 0.000 2.108 285 M HA -0.162 4.318 4.480 0.000 0.000 0.261 285 M C 2.038 178.100 176.300 -0.396 0.000 1.066 285 M CA 1.644 56.630 55.300 -0.523 0.000 1.107 285 M CB -0.494 31.970 32.600 -0.227 0.000 1.356 285 M HN 0.296 nan 8.290 nan 0.000 0.406 286 I N -1.480 118.921 120.570 -0.282 0.000 3.083 286 I HA -0.105 4.065 4.170 0.000 0.000 0.273 286 I C 1.511 177.492 176.117 -0.225 0.000 1.297 286 I CA 1.478 62.644 61.300 -0.224 0.000 1.452 286 I CB -1.057 36.857 38.000 -0.143 0.000 1.078 286 I HN 0.332 nan 8.210 nan 0.000 0.484 287 T N -2.579 111.817 114.554 -0.263 0.000 3.069 287 T HA 0.275 4.625 4.350 0.000 0.000 0.252 287 T C 1.533 176.063 174.700 -0.284 0.000 1.053 287 T CA -0.209 61.752 62.100 -0.231 0.000 0.964 287 T CB -0.010 68.744 68.868 -0.190 0.000 1.005 287 T HN 0.384 nan 8.240 nan 0.000 0.532 288 R N 0.992 121.264 120.500 -0.380 0.000 2.472 288 R HA 0.325 4.665 4.340 0.000 0.000 0.279 288 R C -0.044 175.935 176.300 -0.536 0.000 0.953 288 R CA 0.021 55.864 56.100 -0.428 0.000 1.088 288 R CB 1.252 31.240 30.300 -0.520 0.000 1.197 288 R HN 0.436 nan 8.270 nan 0.000 0.536 289 V N -0.788 118.797 119.914 -0.549 0.000 2.383 289 V HA 0.471 4.591 4.120 0.000 0.000 0.261 289 V C -2.672 173.066 176.094 -0.594 0.000 0.987 289 V CA -2.337 59.528 62.300 -0.726 0.000 0.853 289 V CB 0.682 32.034 31.823 -0.785 0.000 1.095 289 V HN -0.109 nan 8.190 nan 0.000 0.461 290 P HA 0.478 nan 4.420 nan 0.000 0.274 290 P C -0.644 176.328 177.300 -0.548 0.000 1.246 290 P CA -0.281 62.483 63.100 -0.560 0.000 0.795 290 P CB 1.875 33.222 31.700 -0.589 0.000 1.006 291 L N 0.541 121.624 121.223 -0.233 0.000 2.352 291 L HA 0.584 4.924 4.340 0.000 0.000 0.269 291 L C 1.472 178.393 176.870 0.085 0.000 1.034 291 L CA -0.173 54.630 54.840 -0.062 0.000 0.806 291 L CB 0.510 42.567 42.059 -0.004 0.000 1.244 291 L HN 0.471 nan 8.230 nan 0.000 0.447 292 G N -0.084 108.799 108.800 0.138 0.000 2.653 292 G HA2 0.428 4.388 3.960 0.000 0.000 0.265 292 G HA3 0.428 4.388 3.960 0.000 0.000 0.265 292 G C -0.770 174.131 174.900 0.002 0.000 1.237 292 G CA -0.379 44.769 45.100 0.079 0.000 0.946 292 G HN 0.497 nan 8.290 nan 0.000 0.522 293 S N -1.349 114.326 115.700 -0.041 0.000 2.519 293 S HA 0.599 5.069 4.470 0.000 0.000 0.309 293 S C -0.956 173.631 174.600 -0.023 0.000 1.100 293 S CA -0.514 57.688 58.200 0.002 0.000 1.059 293 S CB 1.656 64.870 63.200 0.023 0.000 1.008 293 S HN 0.786 nan 8.310 nan 0.000 0.478 294 V N 4.833 124.787 119.914 0.065 0.000 3.000 294 V HA 0.559 4.679 4.120 0.000 0.000 0.300 294 V C -1.929 174.330 176.094 0.275 0.000 1.251 294 V CA -0.751 61.623 62.300 0.124 0.000 0.972 294 V CB 1.791 33.625 31.823 0.018 0.000 1.065 294 V HN 0.880 nan 8.190 nan 0.000 0.431 295 I N 5.256 125.996 120.570 0.284 0.000 2.362 295 I HA 0.513 4.683 4.170 0.000 0.000 0.289 295 I C -0.219 176.138 176.117 0.400 0.000 0.994 295 I CA -0.637 60.846 61.300 0.305 0.000 1.158 295 I CB 1.702 39.821 38.000 0.198 0.000 1.315 295 I HN 0.525 nan 8.210 nan 0.000 0.451 296 K N 5.907 126.582 120.400 0.457 0.000 2.211 296 K HA 0.566 4.886 4.320 0.000 0.000 0.275 296 K C -1.404 175.319 176.600 0.204 0.000 1.024 296 K CA -0.310 56.221 56.287 0.407 0.000 0.887 296 K CB 0.968 33.776 32.500 0.513 0.000 1.084 296 K HN 0.691 nan 8.250 nan 0.000 0.463 297 C N 5.369 124.743 119.300 0.123 0.000 2.441 297 C HA 0.570 5.030 4.460 0.000 0.000 0.318 297 C C -0.826 174.193 174.990 0.049 0.000 1.222 297 C CA -1.082 57.993 59.018 0.094 0.000 1.474 297 C CB 0.017 27.920 27.740 0.271 0.000 2.125 297 C HN 0.729 nan 8.230 nan 0.000 0.479 298 I N 3.079 123.632 120.570 -0.029 0.000 2.410 298 I HA 0.436 4.606 4.170 0.000 0.000 0.286 298 I C -0.281 175.817 176.117 -0.032 0.000 1.009 298 I CA -0.163 61.079 61.300 -0.097 0.000 1.111 298 I CB 1.413 39.301 38.000 -0.187 0.000 1.262 298 I HN 0.346 nan 8.210 nan 0.000 0.443 299 V N 6.681 126.583 119.914 -0.020 0.000 2.398 299 V HA 0.385 4.505 4.120 0.000 0.000 0.286 299 V C -0.621 175.289 176.094 -0.307 0.000 1.026 299 V CA -0.717 61.593 62.300 0.016 0.000 0.868 299 V CB 0.782 32.667 31.823 0.103 0.000 0.982 299 V HN 0.408 nan 8.190 nan 0.000 0.443 300 Y N 4.113 124.369 120.300 -0.074 0.000 2.334 300 Y HA 0.653 5.203 4.550 0.000 0.000 0.328 300 Y C -0.261 175.498 175.900 -0.234 0.000 1.130 300 Y CA -0.392 57.706 58.100 -0.003 0.000 1.163 300 Y CB 1.245 39.800 38.460 0.159 0.000 1.207 300 Y HN 0.529 nan 8.280 nan 0.000 0.471 301 Y N 0.066 120.616 120.300 0.416 0.000 2.576 301 Y HA 0.276 4.826 4.550 0.000 0.000 0.346 301 Y C 1.142 177.193 175.900 0.251 0.000 1.018 301 Y CA -1.435 56.886 58.100 0.368 0.000 1.050 301 Y CB 1.955 40.734 38.460 0.532 0.000 1.280 301 Y HN 0.526 nan 8.280 nan 0.000 0.474 302 K N 0.539 121.153 120.400 0.357 0.000 2.113 302 K HA -0.122 4.198 4.320 0.000 0.000 0.208 302 K C -0.522 176.154 176.600 0.127 0.000 1.047 302 K CA 1.799 58.194 56.287 0.180 0.000 0.928 302 K CB 0.185 32.764 32.500 0.131 0.000 0.716 302 K HN 0.758 nan 8.250 nan 0.000 0.446 303 E N -0.945 119.353 120.200 0.163 0.000 2.408 303 E HA 0.207 4.557 4.350 0.000 0.000 0.275 303 E C -2.673 173.800 176.600 -0.211 0.000 0.935 303 E CA -2.278 54.122 56.400 -0.000 0.000 0.775 303 E CB 2.323 32.016 29.700 -0.012 0.000 1.277 303 E HN -0.037 nan 8.360 nan 0.000 0.455 304 P HA 0.043 nan 4.420 nan 0.000 0.230 304 P C 0.159 176.516 177.300 -1.573 0.000 1.791 304 P CA -0.030 62.127 63.100 -1.572 0.000 1.020 304 P CB -0.920 30.180 31.700 -1.000 0.000 1.977 305 F N -0.462 118.932 119.950 -0.927 0.000 2.408 305 F HA -0.054 4.473 4.527 0.000 0.000 0.300 305 F C 1.613 177.257 175.800 -0.261 0.000 1.090 305 F CA -0.251 57.498 58.000 -0.418 0.000 1.427 305 F CB -1.460 37.419 39.000 -0.201 0.000 1.070 305 F HN 0.104 nan 8.300 nan 0.000 0.549 306 W N 1.372 122.426 121.300 -0.411 0.000 2.436 306 W HA 0.114 4.774 4.660 0.000 0.000 0.284 306 W C 2.023 178.515 176.519 -0.046 0.000 1.225 306 W CA 0.595 57.857 57.345 -0.138 0.000 1.271 306 W CB -1.099 28.202 29.460 -0.264 0.000 1.114 306 W HN -0.179 nan 8.180 nan 0.000 0.559 307 R N 1.369 121.682 120.500 -0.312 0.000 2.105 307 R HA -0.129 4.211 4.340 0.000 0.000 0.239 307 R C 2.001 178.224 176.300 -0.127 0.000 1.135 307 R CA 1.941 57.943 56.100 -0.163 0.000 0.967 307 R CB -0.578 29.564 30.300 -0.264 0.000 0.861 307 R HN 0.296 nan 8.270 nan 0.000 0.442 308 K N 0.795 121.114 120.400 -0.134 0.000 2.209 308 K HA -0.124 4.196 4.320 0.000 0.000 0.204 308 K C 1.550 178.088 176.600 -0.103 0.000 1.048 308 K CA 1.116 57.349 56.287 -0.091 0.000 0.940 308 K CB 0.011 32.479 32.500 -0.054 0.000 0.729 308 K HN 0.118 nan 8.250 nan 0.000 0.451 309 K N 0.757 121.076 120.400 -0.135 0.000 2.417 309 K HA -0.045 4.275 4.320 0.000 0.000 0.196 309 K C -0.457 175.826 176.600 -0.528 0.000 1.023 309 K CA 0.136 56.240 56.287 -0.306 0.000 1.122 309 K CB 0.273 32.580 32.500 -0.322 0.000 0.850 309 K HN 0.027 nan 8.250 nan 0.000 0.521 310 D N -0.022 120.203 120.400 -0.291 0.000 2.746 310 D HA -0.217 4.423 4.640 0.000 0.000 0.236 310 D C -1.465 174.739 176.300 -0.160 0.000 1.129 310 D CA 0.855 54.735 54.000 -0.199 0.000 0.691 310 D CB -1.368 39.335 40.800 -0.161 0.000 1.077 310 D HN 0.324 nan 8.370 nan 0.000 0.432 311 Y N -0.806 119.534 120.300 0.066 0.000 2.364 311 Y HA 0.311 4.861 4.550 0.000 0.000 0.340 311 Y C 2.049 178.032 175.900 0.139 0.000 0.975 311 Y CA -0.957 57.184 58.100 0.068 0.000 1.089 311 Y CB 1.271 39.782 38.460 0.085 0.000 1.192 311 Y HN 0.251 nan 8.280 nan 0.000 0.454 312 C N -0.857 118.566 119.300 0.205 0.000 2.468 312 C HA 0.380 4.840 4.460 0.000 0.000 0.277 312 C C 1.763 176.831 174.990 0.130 0.000 1.400 312 C CA 0.659 59.775 59.018 0.163 0.000 1.770 312 C CB -0.968 26.791 27.740 0.031 0.000 1.905 312 C HN 1.234 nan 8.230 nan 0.000 0.519 313 G N -0.469 108.247 108.800 -0.141 0.000 2.211 313 G HA2 -0.130 3.830 3.960 0.000 0.000 0.201 313 G HA3 -0.130 3.830 3.960 0.000 0.000 0.201 313 G C 0.020 174.593 174.900 -0.545 0.000 0.997 313 G CA 0.161 44.864 45.100 -0.662 0.000 0.652 313 G HN 0.555 nan 8.290 nan 0.000 0.500 314 T N 2.429 116.760 114.554 -0.372 0.000 2.752 314 T HA 0.599 4.949 4.350 0.000 0.000 0.295 314 T C 0.363 174.854 174.700 -0.348 0.000 0.923 314 T CA 0.617 62.476 62.100 -0.402 0.000 1.112 314 T CB 0.648 69.336 68.868 -0.300 0.000 0.884 314 T HN 0.300 nan 8.240 nan 0.000 0.525 315 M N 4.152 123.526 119.600 -0.376 0.000 2.326 315 M HA 0.503 4.983 4.480 0.000 0.000 0.306 315 M C -0.734 175.555 176.300 -0.018 0.000 1.054 315 M CA -0.592 54.603 55.300 -0.175 0.000 0.922 315 M CB 2.210 34.684 32.600 -0.209 0.000 1.632 315 M HN 0.402 nan 8.290 nan 0.000 0.436 316 I N 4.794 125.502 120.570 0.230 0.000 2.359 316 I HA 0.426 4.596 4.170 0.000 0.000 0.284 316 I C -0.878 175.508 176.117 0.447 0.000 1.018 316 I CA -0.314 61.232 61.300 0.411 0.000 1.173 316 I CB 0.745 39.016 38.000 0.451 0.000 1.326 316 I HN 0.613 nan 8.210 nan 0.000 0.462 317 I N 5.099 125.884 120.570 0.359 0.000 2.390 317 I HA 0.298 4.468 4.170 0.000 0.000 0.283 317 I C -0.294 176.004 176.117 0.301 0.000 1.016 317 I CA -0.469 61.022 61.300 0.318 0.000 1.151 317 I CB 1.194 39.317 38.000 0.205 0.000 1.293 317 I HN 0.452 nan 8.210 nan 0.000 0.458 318 D N 4.587 125.171 120.400 0.306 0.000 2.283 318 D HA 0.680 5.320 4.640 0.000 0.000 0.248 318 D C 0.128 176.548 176.300 0.199 0.000 1.072 318 D CA 0.472 54.618 54.000 0.243 0.000 0.929 318 D CB 2.013 42.951 40.800 0.229 0.000 1.182 318 D HN 0.798 nan 8.370 nan 0.000 0.433 319 G N 1.988 110.885 108.800 0.162 0.000 2.592 319 G HA2 -0.118 3.842 3.960 0.000 0.000 0.685 319 G HA3 -0.118 3.842 3.960 0.000 0.000 0.685 319 G C 0.402 175.380 174.900 0.130 0.000 1.278 319 G CA 0.027 45.208 45.100 0.135 0.000 0.822 319 G HN 0.421 nan 8.290 nan 0.000 0.652 320 E N 0.269 120.539 120.200 0.116 0.000 2.150 320 E HA -0.030 4.320 4.350 0.000 0.000 0.193 320 E C 2.117 178.780 176.600 0.106 0.000 0.985 320 E CA 2.356 58.833 56.400 0.129 0.000 0.814 320 E CB 0.063 29.834 29.700 0.119 0.000 0.752 320 E HN 0.640 nan 8.360 nan 0.000 0.466 321 E N 0.341 120.595 120.200 0.090 0.000 2.274 321 E HA 0.096 4.446 4.350 0.000 0.000 0.194 321 E C 0.352 176.987 176.600 0.058 0.000 0.996 321 E CA 0.827 57.269 56.400 0.069 0.000 0.840 321 E CB -0.306 29.433 29.700 0.065 0.000 0.772 321 E HN 0.269 nan 8.360 nan 0.000 0.491 322 A N 2.772 125.638 122.820 0.076 0.000 2.444 322 A HA 0.197 4.517 4.320 0.000 0.000 0.273 322 A C -1.393 176.222 177.584 0.051 0.000 1.136 322 A CA -1.211 50.864 52.037 0.064 0.000 0.799 322 A CB 0.193 19.255 19.000 0.102 0.000 1.081 322 A HN -0.020 nan 8.150 nan 0.000 0.509 323 P HA -0.065 nan 4.420 nan 0.000 0.217 323 P C 0.264 177.600 177.300 0.059 0.000 1.150 323 P CA 1.068 64.177 63.100 0.016 0.000 0.832 323 P CB 0.076 31.767 31.700 -0.016 0.000 0.787 324 V N -0.067 119.903 119.914 0.093 0.000 2.448 324 V HA 0.483 4.603 4.120 0.000 0.000 0.295 324 V C 1.096 177.308 176.094 0.198 0.000 1.025 324 V CA -0.138 62.264 62.300 0.170 0.000 0.859 324 V CB 1.388 33.339 31.823 0.214 0.000 0.988 324 V HN -0.029 nan 8.190 nan 0.000 0.431 325 A N 4.392 127.358 122.820 0.243 0.000 2.220 325 A HA 0.331 4.651 4.320 0.000 0.000 0.211 325 A C 0.116 177.924 177.584 0.374 0.000 1.176 325 A CA 0.528 52.728 52.037 0.273 0.000 0.834 325 A CB 0.179 19.326 19.000 0.246 0.000 0.868 325 A HN 0.737 nan 8.150 nan 0.000 0.488 326 Y N -0.002 120.417 120.300 0.199 0.000 2.442 326 Y HA 0.470 5.020 4.550 0.000 0.000 0.330 326 Y C -0.364 175.579 175.900 0.072 0.000 1.100 326 Y CA -0.485 57.716 58.100 0.168 0.000 1.034 326 Y CB 1.606 40.217 38.460 0.252 0.000 1.285 326 Y HN 0.121 nan 8.280 nan 0.000 0.440 327 T N 3.991 118.235 114.554 -0.517 0.000 2.906 327 T HA 0.869 5.219 4.350 0.000 0.000 0.295 327 T C -1.485 172.776 174.700 -0.732 0.000 1.075 327 T CA -0.826 60.950 62.100 -0.541 0.000 1.005 327 T CB 1.818 70.350 68.868 -0.561 0.000 1.136 327 T HN 0.589 nan 8.240 nan 0.000 0.498 328 L N 1.193 122.108 121.223 -0.513 0.000 2.409 328 L HA 0.479 4.819 4.340 0.000 0.000 0.262 328 L C -0.578 176.096 176.870 -0.327 0.000 0.992 328 L CA -1.251 53.350 54.840 -0.398 0.000 0.817 328 L CB 2.225 44.127 42.059 -0.262 0.000 1.350 328 L HN 0.753 nan 8.230 nan 0.000 0.411 329 D N 1.138 121.379 120.400 -0.265 0.000 2.472 329 D HA -0.064 4.576 4.640 0.000 0.000 0.248 329 D C -0.219 176.097 176.300 0.027 0.000 1.174 329 D CA 0.683 54.612 54.000 -0.118 0.000 0.883 329 D CB 1.124 41.986 40.800 0.103 0.000 1.149 329 D HN 0.531 nan 8.370 nan 0.000 0.488 330 D N 1.846 122.269 120.400 0.039 0.000 2.501 330 D HA 0.068 4.708 4.640 0.000 0.000 0.224 330 D C -0.351 176.034 176.300 0.142 0.000 1.202 330 D CA -0.187 53.864 54.000 0.085 0.000 0.829 330 D CB 0.393 41.184 40.800 -0.016 0.000 1.023 330 D HN 0.228 nan 8.370 nan 0.000 0.499 331 T N 1.628 116.306 114.554 0.208 0.000 2.946 331 T HA -0.020 4.330 4.350 0.000 0.000 0.312 331 T C 0.559 175.336 174.700 0.129 0.000 1.066 331 T CA 0.032 62.251 62.100 0.199 0.000 1.138 331 T CB 0.726 69.715 68.868 0.200 0.000 1.014 331 T HN -0.026 nan 8.240 nan 0.000 0.544 332 K N 3.875 124.311 120.400 0.061 0.000 2.336 332 K HA 0.057 4.377 4.320 0.000 0.000 0.262 332 K C -1.381 175.102 176.600 -0.195 0.000 0.992 332 K CA -1.603 54.620 56.287 -0.107 0.000 0.927 332 K CB 0.144 32.613 32.500 -0.053 0.000 0.956 332 K HN 0.361 nan 8.250 nan 0.000 0.495 333 P HA -0.097 nan 4.420 nan 0.000 0.223 333 P C 0.273 177.492 177.300 -0.135 0.000 1.151 333 P CA 1.218 64.094 63.100 -0.374 0.000 0.787 333 P CB 0.325 31.673 31.700 -0.586 0.000 0.788 334 E N -0.643 119.502 120.200 -0.093 0.000 2.418 334 E HA 0.128 4.478 4.350 0.000 0.000 0.197 334 E C 1.585 178.177 176.600 -0.014 0.000 1.026 334 E CA 0.994 57.377 56.400 -0.028 0.000 0.862 334 E CB -0.876 28.830 29.700 0.009 0.000 0.799 334 E HN 0.307 nan 8.360 nan 0.000 0.518 335 G N 0.727 109.520 108.800 -0.012 0.000 2.175 335 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 335 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 335 G C 0.107 175.005 174.900 -0.003 0.000 0.982 335 G CA 0.278 45.372 45.100 -0.011 0.000 0.641 335 G HN 0.369 nan 8.290 nan 0.000 0.527 336 N N -0.732 117.989 118.700 0.035 0.000 2.563 336 N HA 0.532 5.272 4.740 0.000 0.000 0.288 336 N C 0.527 176.142 175.510 0.175 0.000 1.246 336 N CA -0.871 52.190 53.050 0.017 0.000 0.946 336 N CB 0.052 38.487 38.487 -0.087 0.000 1.213 336 N HN 0.608 nan 8.380 nan 0.000 0.578 337 Y N -2.544 117.783 120.300 0.045 0.000 3.168 337 Y HA -0.171 4.379 4.550 0.000 0.000 0.207 337 Y C 0.572 176.608 175.900 0.227 0.000 1.280 337 Y CA 0.324 58.501 58.100 0.129 0.000 1.235 337 Y CB -2.333 36.161 38.460 0.056 0.000 1.370 337 Y HN 0.744 nan 8.280 nan 0.000 0.537 338 A N 0.375 123.360 122.820 0.275 0.000 2.580 338 A HA 0.511 4.831 4.320 0.000 0.000 0.244 338 A C 0.733 178.574 177.584 0.429 0.000 1.045 338 A CA 0.647 52.859 52.037 0.292 0.000 0.761 338 A CB -0.015 19.080 19.000 0.157 0.000 0.962 338 A HN 1.412 nan 8.150 nan 0.000 0.512 339 A N 3.045 126.111 122.820 0.409 0.000 2.574 339 A HA 0.650 4.970 4.320 0.000 0.000 0.297 339 A C -0.823 176.752 177.584 -0.015 0.000 1.062 339 A CA -0.532 51.554 52.037 0.081 0.000 0.686 339 A CB 1.059 19.843 19.000 -0.360 0.000 1.285 339 A HN 0.689 nan 8.150 nan 0.000 0.403 340 I N 3.024 123.476 120.570 -0.196 0.000 2.355 340 I HA 0.308 4.478 4.170 0.000 0.000 0.288 340 I C -0.110 175.841 176.117 -0.277 0.000 0.999 340 I CA -0.335 60.711 61.300 -0.424 0.000 1.163 340 I CB 1.541 39.133 38.000 -0.680 0.000 1.316 340 I HN 0.721 nan 8.210 nan 0.000 0.454 341 M N 5.970 125.408 119.600 -0.271 0.000 2.180 341 M HA 0.554 5.034 4.480 0.000 0.000 0.358 341 M C -0.252 175.879 176.300 -0.282 0.000 1.233 341 M CA -0.059 55.107 55.300 -0.223 0.000 1.114 341 M CB 0.969 33.467 32.600 -0.171 0.000 1.594 341 M HN 0.692 nan 8.290 nan 0.000 0.467 342 G N 4.596 113.280 108.800 -0.193 0.000 2.612 342 G HA2 0.686 4.646 3.960 0.000 0.000 0.298 342 G HA3 0.686 4.646 3.960 0.000 0.000 0.298 342 G C -1.910 172.901 174.900 -0.148 0.000 1.336 342 G CA -0.564 44.461 45.100 -0.126 0.000 0.953 342 G HN 0.658 nan 8.290 nan 0.000 0.482 343 F N 0.594 120.684 119.950 0.233 0.000 2.436 343 F HA 0.499 5.026 4.527 0.000 0.000 0.340 343 F C 0.571 176.483 175.800 0.186 0.000 1.113 343 F CA -0.735 57.407 58.000 0.236 0.000 1.022 343 F CB 2.121 41.290 39.000 0.282 0.000 1.128 343 F HN 0.051 nan 8.300 nan 0.000 0.466 344 I N 5.211 125.994 120.570 0.355 0.000 2.304 344 I HA 0.281 4.451 4.170 0.000 0.000 0.291 344 I C -0.715 175.496 176.117 0.157 0.000 1.018 344 I CA -0.364 61.059 61.300 0.205 0.000 1.260 344 I CB 0.866 38.952 38.000 0.144 0.000 1.390 344 I HN 0.387 nan 8.210 nan 0.000 0.475 345 L N 6.499 127.776 121.223 0.089 0.000 2.317 345 L HA 0.711 5.051 4.340 0.000 0.000 0.281 345 L C 0.923 177.765 176.870 -0.047 0.000 1.024 345 L CA -0.166 54.688 54.840 0.024 0.000 0.810 345 L CB 1.525 43.607 42.059 0.038 0.000 1.240 345 L HN 0.915 nan 8.230 nan 0.000 0.427 346 A N 2.175 124.961 122.820 -0.058 0.000 5.382 346 A HA -0.364 3.956 4.320 0.000 0.000 0.307 346 A C 1.674 179.252 177.584 -0.009 0.000 1.937 346 A CA 1.447 53.458 52.037 -0.043 0.000 0.715 346 A CB -1.578 17.398 19.000 -0.040 0.000 1.293 346 A HN 1.093 nan 8.150 nan 0.000 0.374 347 H N 1.024 120.088 119.070 -0.010 0.000 2.457 347 H HA -0.051 4.505 4.556 0.000 0.000 0.297 347 H C 1.645 176.993 175.328 0.033 0.000 1.092 347 H CA 1.937 57.997 56.048 0.019 0.000 1.309 347 H CB -0.362 29.421 29.762 0.034 0.000 1.382 347 H HN 0.729 nan 8.280 nan 0.000 0.535 348 K N 0.592 120.649 120.400 -0.572 0.000 2.155 348 K HA 0.101 4.421 4.320 0.000 0.000 0.203 348 K C 2.601 179.138 176.600 -0.105 0.000 1.052 348 K CA 0.811 56.885 56.287 -0.355 0.000 0.948 348 K CB 0.083 32.392 32.500 -0.317 0.000 0.728 348 K HN 0.317 nan 8.250 nan 0.000 0.448 349 A N 1.547 124.336 122.820 -0.053 0.000 1.877 349 A HA -0.183 4.137 4.320 0.000 0.000 0.216 349 A C 2.072 179.670 177.584 0.024 0.000 1.186 349 A CA 1.400 53.448 52.037 0.019 0.000 0.620 349 A CB -0.348 18.679 19.000 0.045 0.000 0.822 349 A HN 0.110 nan 8.150 nan 0.000 0.443 350 R N -0.136 120.377 120.500 0.023 0.000 2.082 350 R HA -0.152 4.188 4.340 0.000 0.000 0.234 350 R C 2.365 178.685 176.300 0.034 0.000 1.136 350 R CA 2.106 58.229 56.100 0.038 0.000 0.935 350 R CB -0.384 29.952 30.300 0.060 0.000 0.842 350 R HN 0.658 nan 8.270 nan 0.000 0.430 351 K N 0.454 120.871 120.400 0.029 0.000 2.032 351 K HA -0.131 4.189 4.320 0.000 0.000 0.209 351 K C 1.679 178.291 176.600 0.021 0.000 1.048 351 K CA 1.559 57.866 56.287 0.033 0.000 0.927 351 K CB -0.086 32.437 32.500 0.039 0.000 0.712 351 K HN 0.159 nan 8.250 nan 0.000 0.441 352 L N 0.256 121.486 121.223 0.012 0.000 2.509 352 L HA 0.104 4.444 4.340 0.000 0.000 0.222 352 L C 2.349 179.236 176.870 0.028 0.000 1.123 352 L CA 0.308 55.157 54.840 0.017 0.000 0.856 352 L CB -0.183 41.884 42.059 0.013 0.000 0.985 352 L HN 0.237 nan 8.230 nan 0.000 0.456 353 A N 0.758 123.596 122.820 0.031 0.000 2.024 353 A HA -0.202 4.118 4.320 0.000 0.000 0.220 353 A C 2.371 179.970 177.584 0.025 0.000 1.164 353 A CA 1.331 53.387 52.037 0.032 0.000 0.643 353 A CB -0.398 18.620 19.000 0.031 0.000 0.806 353 A HN 0.378 nan 8.150 nan 0.000 0.451 354 R N -0.635 119.878 120.500 0.022 0.000 2.120 354 R HA 0.046 4.386 4.340 0.000 0.000 0.234 354 R C 0.320 176.629 176.300 0.016 0.000 1.123 354 R CA 0.354 56.464 56.100 0.017 0.000 0.975 354 R CB -0.545 29.765 30.300 0.017 0.000 0.866 354 R HN 0.448 nan 8.270 nan 0.000 0.446 355 L N 0.896 122.129 121.223 0.017 0.000 2.476 355 L HA 0.071 4.411 4.340 0.000 0.000 0.255 355 L C 1.109 177.990 176.870 0.019 0.000 1.218 355 L CA -0.363 54.485 54.840 0.014 0.000 0.819 355 L CB 0.301 42.365 42.059 0.009 0.000 1.119 355 L HN 0.153 nan 8.230 nan 0.000 0.485 356 T N -2.684 111.879 114.554 0.015 0.000 2.816 356 T HA 0.110 4.460 4.350 0.000 0.000 0.282 356 T C 0.898 175.621 174.700 0.038 0.000 0.993 356 T CA -0.651 61.462 62.100 0.023 0.000 0.994 356 T CB 1.163 70.040 68.868 0.015 0.000 1.025 356 T HN 0.671 nan 8.240 nan 0.000 0.529 357 K N 0.251 120.689 120.400 0.064 0.000 2.113 357 K HA -0.205 4.115 4.320 0.000 0.000 0.208 357 K C 1.874 178.519 176.600 0.075 0.000 1.047 357 K CA 1.895 58.260 56.287 0.131 0.000 0.928 357 K CB -0.155 32.430 32.500 0.142 0.000 0.716 357 K HN 0.692 nan 8.250 nan 0.000 0.446 358 E N 0.529 120.740 120.200 0.017 0.000 2.107 358 E HA -0.110 4.240 4.350 0.000 0.000 0.191 358 E C 1.731 178.283 176.600 -0.080 0.000 0.982 358 E CA 1.137 57.511 56.400 -0.042 0.000 0.809 358 E CB 0.090 29.779 29.700 -0.019 0.000 0.756 358 E HN 0.382 nan 8.360 nan 0.000 0.459 359 E N 0.358 120.530 120.200 -0.047 0.000 2.077 359 E HA -0.129 4.221 4.350 0.000 0.000 0.193 359 E C 2.102 178.652 176.600 -0.083 0.000 0.989 359 E CA 0.768 57.136 56.400 -0.053 0.000 0.800 359 E CB -0.019 29.666 29.700 -0.025 0.000 0.746 359 E HN 0.118 nan 8.360 nan 0.000 0.452 360 R N 0.279 120.734 120.500 -0.075 0.000 2.075 360 R HA -0.119 4.221 4.340 0.000 0.000 0.232 360 R C 2.458 178.594 176.300 -0.273 0.000 1.126 360 R CA 0.707 56.750 56.100 -0.095 0.000 0.963 360 R CB -0.348 29.965 30.300 0.022 0.000 0.858 360 R HN 0.118 nan 8.270 nan 0.000 0.435 361 L N 1.890 122.824 121.223 -0.482 0.000 2.013 361 L HA -0.242 4.098 4.340 0.000 0.000 0.212 361 L C 2.178 178.816 176.870 -0.387 0.000 1.073 361 L CA 1.930 56.322 54.840 -0.746 0.000 0.753 361 L CB -0.519 41.090 42.059 -0.750 0.000 0.890 361 L HN 0.015 nan 8.230 nan 0.000 0.432 362 K N -0.539 119.716 120.400 -0.242 0.000 2.026 362 K HA -0.221 4.099 4.320 0.000 0.000 0.208 362 K C 2.180 178.688 176.600 -0.154 0.000 1.048 362 K CA 1.760 57.954 56.287 -0.154 0.000 0.929 362 K CB -0.105 32.335 32.500 -0.100 0.000 0.713 362 K HN 0.350 nan 8.250 nan 0.000 0.439 363 K N 0.184 120.490 120.400 -0.156 0.000 2.103 363 K HA -0.155 4.165 4.320 0.000 0.000 0.207 363 K C 2.087 178.550 176.600 -0.229 0.000 1.048 363 K CA 1.112 57.311 56.287 -0.146 0.000 0.930 363 K CB -0.074 32.362 32.500 -0.107 0.000 0.716 363 K HN 0.064 nan 8.250 nan 0.000 0.444 364 L N 0.563 121.590 121.223 -0.326 0.000 2.044 364 L HA -0.152 4.188 4.340 0.000 0.000 0.205 364 L C 2.422 178.833 176.870 -0.765 0.000 1.075 364 L CA 1.413 55.890 54.840 -0.605 0.000 0.747 364 L CB -0.652 41.086 42.059 -0.536 0.000 0.903 364 L HN 0.203 nan 8.230 nan 0.000 0.435 365 C N -0.555 118.522 119.300 -0.371 0.000 2.413 365 C HA -0.174 4.286 4.460 0.000 0.000 0.276 365 C C 2.651 177.596 174.990 -0.074 0.000 1.248 365 C CA 0.680 59.635 59.018 -0.106 0.000 1.742 365 C CB -0.795 26.947 27.740 0.003 0.000 2.017 365 C HN 0.544 nan 8.230 nan 0.000 0.481 366 E N 0.216 120.350 120.200 -0.110 0.000 2.110 366 E HA -0.208 4.142 4.350 0.000 0.000 0.193 366 E C 1.984 178.543 176.600 -0.067 0.000 0.988 366 E CA 0.912 57.275 56.400 -0.063 0.000 0.804 366 E CB -0.236 29.429 29.700 -0.059 0.000 0.745 366 E HN 0.534 nan 8.360 nan 0.000 0.458 367 L N 0.287 121.423 121.223 -0.144 0.000 1.994 367 L HA -0.202 4.138 4.340 0.000 0.000 0.208 367 L C 2.012 178.879 176.870 -0.005 0.000 1.071 367 L CA 1.741 56.510 54.840 -0.120 0.000 0.745 367 L CB -0.635 41.318 42.059 -0.177 0.000 0.892 367 L HN 0.204 nan 8.230 nan 0.000 0.431 368 Y N -0.539 119.739 120.300 -0.036 0.000 2.165 368 Y HA -0.282 4.268 4.550 0.000 0.000 0.286 368 Y C 2.555 178.459 175.900 0.007 0.000 1.155 368 Y CA 0.385 58.467 58.100 -0.030 0.000 1.164 368 Y CB -0.634 37.844 38.460 0.031 0.000 0.978 368 Y HN 0.402 nan 8.280 nan 0.000 0.513 369 A N 0.409 123.335 122.820 0.176 0.000 1.908 369 A HA -0.237 4.083 4.320 0.000 0.000 0.218 369 A C 2.183 179.813 177.584 0.076 0.000 1.181 369 A CA 1.876 53.982 52.037 0.115 0.000 0.627 369 A CB -0.549 18.491 19.000 0.066 0.000 0.818 369 A HN 0.371 nan 8.150 nan 0.000 0.445 370 K N -0.572 119.850 120.400 0.037 0.000 2.001 370 K HA -0.049 4.271 4.320 0.000 0.000 0.208 370 K C 1.957 178.554 176.600 -0.005 0.000 1.048 370 K CA 1.472 57.770 56.287 0.018 0.000 0.932 370 K CB -0.268 32.224 32.500 -0.013 0.000 0.715 370 K HN 0.290 nan 8.250 nan 0.000 0.437 371 V N 1.760 121.606 119.914 -0.112 0.000 2.295 371 V HA -0.224 3.896 4.120 0.000 0.000 0.246 371 V C 2.167 178.208 176.094 -0.089 0.000 1.049 371 V CA 1.517 63.705 62.300 -0.187 0.000 1.024 371 V CB -0.301 31.359 31.823 -0.272 0.000 0.648 371 V HN 0.301 nan 8.190 nan 0.000 0.447 372 L N 0.315 121.520 121.223 -0.031 0.000 2.478 372 L HA 0.229 4.569 4.340 0.000 0.000 0.223 372 L C 1.692 178.691 176.870 0.215 0.000 1.140 372 L CA 0.809 55.670 54.840 0.035 0.000 0.842 372 L CB -0.728 41.444 42.059 0.188 0.000 0.953 372 L HN 0.574 nan 8.230 nan 0.000 0.452 373 G N 0.624 109.511 108.800 0.144 0.000 2.273 373 G HA2 -0.259 3.701 3.960 0.000 0.000 0.280 373 G HA3 -0.259 3.701 3.960 0.000 0.000 0.280 373 G C -0.029 174.952 174.900 0.136 0.000 1.047 373 G CA 0.440 45.625 45.100 0.142 0.000 0.869 373 G HN 0.343 nan 8.290 nan 0.000 0.502 374 S N -0.637 115.138 115.700 0.126 0.000 2.733 374 S HA 0.475 4.945 4.470 0.000 0.000 0.294 374 S C 1.293 175.870 174.600 -0.038 0.000 1.149 374 S CA -0.717 57.518 58.200 0.059 0.000 1.034 374 S CB 1.709 65.001 63.200 0.153 0.000 1.015 374 S HN 0.246 nan 8.310 nan 0.000 0.486 375 L N 2.033 123.214 121.223 -0.071 0.000 2.127 375 L HA -0.172 4.168 4.340 0.000 0.000 0.211 375 L C 2.315 179.081 176.870 -0.173 0.000 1.089 375 L CA 1.387 56.175 54.840 -0.085 0.000 0.757 375 L CB -0.410 41.611 42.059 -0.064 0.000 0.899 375 L HN 0.696 nan 8.230 nan 0.000 0.434 376 E N 0.238 120.210 120.200 -0.380 0.000 2.219 376 E HA -0.245 4.105 4.350 0.000 0.000 0.198 376 E C 2.213 178.456 176.600 -0.595 0.000 0.998 376 E CA 1.079 57.095 56.400 -0.639 0.000 0.818 376 E CB -0.184 28.771 29.700 -1.242 0.000 0.741 376 E HN 0.541 nan 8.360 nan 0.000 0.477 377 A N 0.651 123.214 122.820 -0.427 0.000 2.125 377 A HA -0.098 4.222 4.320 0.000 0.000 0.219 377 A C 1.885 179.653 177.584 0.307 0.000 1.156 377 A CA 0.767 52.853 52.037 0.081 0.000 0.671 377 A CB -0.296 18.878 19.000 0.290 0.000 0.794 377 A HN 0.163 nan 8.150 nan 0.000 0.459 378 L N -1.228 120.072 121.223 0.128 0.000 2.591 378 L HA 0.137 4.477 4.340 0.000 0.000 0.228 378 L C 0.313 177.267 176.870 0.140 0.000 1.133 378 L CA 0.224 55.134 54.840 0.118 0.000 0.880 378 L CB 0.042 42.126 42.059 0.041 0.000 1.033 378 L HN 0.216 nan 8.230 nan 0.000 0.450 379 E N 0.944 121.280 120.200 0.227 0.000 3.406 379 E HA 0.188 4.538 4.350 0.000 0.000 0.210 379 E C -2.253 174.526 176.600 0.298 0.000 1.167 379 E CA -1.726 54.796 56.400 0.203 0.000 1.132 379 E CB 0.706 30.480 29.700 0.123 0.000 1.309 379 E HN 0.041 nan 8.360 nan 0.000 0.424 380 P HA -0.044 nan 4.420 nan 0.000 0.272 380 P C 0.761 178.095 177.300 0.057 0.000 1.223 380 P CA -0.019 63.044 63.100 -0.061 0.000 0.784 380 P CB 1.581 33.209 31.700 -0.120 0.000 0.923 381 V N -1.847 118.120 119.914 0.088 0.000 3.644 381 V HA 0.316 4.436 4.120 0.000 0.000 0.267 381 V C 0.442 176.665 176.094 0.215 0.000 1.277 381 V CA 0.747 63.133 62.300 0.143 0.000 1.096 381 V CB -1.188 30.721 31.823 0.143 0.000 0.828 381 V HN 0.676 nan 8.190 nan 0.000 0.446 382 H N -1.129 118.014 119.070 0.121 0.000 3.024 382 H HA 0.615 5.171 4.556 0.000 0.000 0.324 382 H C -2.317 173.231 175.328 0.367 0.000 1.347 382 H CA -0.662 55.483 56.048 0.162 0.000 1.182 382 H CB 1.945 31.700 29.762 -0.013 0.000 1.889 382 H HN 0.154 nan 8.280 nan 0.000 0.528 383 Y N 1.775 121.830 120.300 -0.408 0.000 2.441 383 Y HA 0.491 5.041 4.550 0.000 0.000 0.334 383 Y C -1.679 174.107 175.900 -0.190 0.000 1.061 383 Y CA -0.639 57.383 58.100 -0.130 0.000 1.032 383 Y CB 1.692 40.082 38.460 -0.117 0.000 1.266 383 Y HN 0.619 nan 8.280 nan 0.000 0.441 384 E N 4.600 124.540 120.200 -0.434 0.000 2.317 384 E HA 0.408 4.758 4.350 0.000 0.000 0.270 384 E C -1.439 174.787 176.600 -0.623 0.000 0.885 384 E CA -0.809 55.351 56.400 -0.399 0.000 0.760 384 E CB 2.814 32.522 29.700 0.013 0.000 1.227 384 E HN 0.780 nan 8.360 nan 0.000 0.434 385 E N 0.416 120.358 120.200 -0.430 0.000 2.413 385 E HA 0.702 5.052 4.350 0.000 0.000 0.277 385 E C -1.163 175.394 176.600 -0.071 0.000 0.958 385 E CA -1.116 55.139 56.400 -0.243 0.000 0.779 385 E CB 2.293 31.846 29.700 -0.246 0.000 1.278 385 E HN 0.080 nan 8.360 nan 0.000 0.456 386 K N 1.347 121.756 120.400 0.014 0.000 2.615 386 K HA 0.298 4.618 4.320 0.000 0.000 0.249 386 K C -1.757 174.805 176.600 -0.063 0.000 0.977 386 K CA -0.562 55.676 56.287 -0.082 0.000 0.833 386 K CB 1.442 33.882 32.500 -0.101 0.000 1.208 386 K HN 0.533 nan 8.250 nan 0.000 0.443 387 N N 4.220 122.848 118.700 -0.120 0.000 2.439 387 N HA 0.099 4.839 4.740 0.000 0.000 0.243 387 N C -0.098 175.340 175.510 -0.119 0.000 1.088 387 N CA -0.229 52.805 53.050 -0.027 0.000 0.940 387 N CB 0.218 38.702 38.487 -0.004 0.000 1.180 387 N HN 0.666 nan 8.380 nan 0.000 0.505 388 W N 2.114 123.460 121.300 0.078 0.000 2.525 388 W HA -0.007 4.653 4.660 0.000 0.000 0.259 388 W C 2.048 178.588 176.519 0.036 0.000 1.253 388 W CA -0.020 57.364 57.345 0.066 0.000 1.262 388 W CB -0.218 29.296 29.460 0.091 0.000 1.122 388 W HN 0.578 nan 8.180 nan 0.000 0.607 389 C N 0.451 119.859 119.300 0.180 0.000 2.419 389 C HA -0.168 4.293 4.460 0.000 0.000 0.283 389 C C 2.310 177.329 174.990 0.048 0.000 1.373 389 C CA 1.482 60.562 59.018 0.104 0.000 1.781 389 C CB -1.481 26.303 27.740 0.074 0.000 1.886 389 C HN 0.497 nan 8.230 nan 0.000 0.520 390 E N 0.669 120.876 120.200 0.012 0.000 2.479 390 E HA 0.016 4.366 4.350 0.000 0.000 0.193 390 E C -0.063 176.511 176.600 -0.044 0.000 1.049 390 E CA 0.258 56.642 56.400 -0.027 0.000 0.870 390 E CB -0.188 29.483 29.700 -0.049 0.000 0.944 390 E HN 0.498 nan 8.360 nan 0.000 0.492 391 E N 2.294 122.486 120.200 -0.014 0.000 2.070 391 E HA -0.024 4.326 4.350 0.000 0.000 0.282 391 E C 0.498 177.080 176.600 -0.030 0.000 1.104 391 E CA 0.032 56.428 56.400 -0.006 0.000 0.876 391 E CB 1.409 31.165 29.700 0.093 0.000 1.055 391 E HN 0.364 nan 8.360 nan 0.000 0.401 392 Q N 2.863 122.581 119.800 -0.137 0.000 2.152 392 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 392 Q C 0.356 176.112 176.000 -0.407 0.000 0.985 392 Q CA 1.669 57.271 55.803 -0.334 0.000 0.863 392 Q CB 0.082 28.494 28.738 -0.543 0.000 0.904 392 Q HN 0.596 nan 8.270 nan 0.000 0.422 393 Y N -0.990 119.337 120.300 0.044 0.000 2.571 393 Y HA 0.238 4.788 4.550 0.000 0.000 0.275 393 Y C 1.417 177.375 175.900 0.097 0.000 1.179 393 Y CA -0.246 57.889 58.100 0.058 0.000 1.242 393 Y CB 0.892 39.377 38.460 0.041 0.000 1.126 393 Y HN 0.079 nan 8.280 nan 0.000 0.524 394 S N -1.716 114.105 115.700 0.202 0.000 2.931 394 S HA 0.292 4.762 4.470 0.000 0.000 0.251 394 S C 1.818 176.497 174.600 0.132 0.000 1.078 394 S CA 0.465 58.790 58.200 0.209 0.000 0.835 394 S CB 0.691 64.095 63.200 0.339 0.000 0.798 394 S HN 0.505 nan 8.310 nan 0.000 0.495 395 G N 1.109 109.969 108.800 0.100 0.000 2.199 395 G HA2 0.121 4.081 3.960 0.000 0.000 0.254 395 G HA3 0.121 4.081 3.960 0.000 0.000 0.254 395 G C 0.485 175.426 174.900 0.069 0.000 0.982 395 G CA 0.087 45.215 45.100 0.046 0.000 0.632 395 G HN 1.383 nan 8.290 nan 0.000 0.529 396 G N -2.349 106.534 108.800 0.139 0.000 2.350 396 G HA2 0.514 4.474 3.960 0.000 0.000 0.282 396 G HA3 0.514 4.474 3.960 0.000 0.000 0.282 396 G C -0.950 174.038 174.900 0.146 0.000 1.314 396 G CA 0.316 45.508 45.100 0.153 0.000 0.915 396 G HN 1.493 nan 8.290 nan 0.000 0.499 397 C N -1.694 117.637 119.300 0.052 0.000 3.311 397 C HA 0.598 5.058 4.460 0.000 0.000 0.325 397 C C 0.774 175.611 174.990 -0.255 0.000 1.352 397 C CA -0.630 58.343 59.018 -0.075 0.000 1.308 397 C CB 0.728 28.323 27.740 -0.241 0.000 1.619 397 C HN 0.728 nan 8.230 nan 0.000 0.469 398 Y N 0.589 120.825 120.300 -0.107 0.000 2.286 398 Y HA 0.223 4.773 4.550 0.000 0.000 0.293 398 Y C 1.601 177.463 175.900 -0.063 0.000 1.124 398 Y CA 1.234 59.236 58.100 -0.164 0.000 1.178 398 Y CB -0.430 37.902 38.460 -0.213 0.000 1.010 398 Y HN 0.682 nan 8.280 nan 0.000 0.536 399 T N -1.867 112.771 114.554 0.141 0.000 2.671 399 T HA 0.359 4.709 4.350 0.000 0.000 0.300 399 T C -0.825 173.981 174.700 0.177 0.000 1.238 399 T CA -0.704 61.518 62.100 0.203 0.000 1.020 399 T CB 1.126 70.205 68.868 0.352 0.000 1.503 399 T HN -0.149 nan 8.240 nan 0.000 0.497 400 T N 2.643 117.322 114.554 0.210 0.000 2.794 400 T HA 0.475 4.825 4.350 0.000 0.000 0.296 400 T C -0.758 173.984 174.700 0.071 0.000 0.949 400 T CA -0.015 62.118 62.100 0.055 0.000 1.101 400 T CB -0.419 68.481 68.868 0.052 0.000 0.905 400 T HN 0.462 nan 8.240 nan 0.000 0.516 401 Y N 1.157 121.263 120.300 -0.323 0.000 2.453 401 Y HA 0.789 5.339 4.550 0.000 0.000 0.326 401 Y C -1.118 174.232 175.900 -0.917 0.000 1.186 401 Y CA -2.150 55.368 58.100 -0.969 0.000 1.200 401 Y CB 0.668 38.647 38.460 -0.801 0.000 1.247 401 Y HN 0.391 nan 8.280 nan 0.000 0.482 402 F N 3.058 122.204 119.950 -1.339 0.000 2.402 402 F HA 0.550 5.077 4.527 0.000 0.000 0.355 402 F C -2.291 173.392 175.800 -0.194 0.000 1.123 402 F CA -2.836 54.782 58.000 -0.636 0.000 1.021 402 F CB 1.413 40.116 39.000 -0.496 0.000 1.160 402 F HN 0.365 nan 8.300 nan 0.000 0.451 403 P HA 0.108 nan 4.420 nan 0.000 0.273 403 P C -2.558 174.838 177.300 0.161 0.000 1.250 403 P CA -1.167 62.009 63.100 0.126 0.000 0.793 403 P CB -0.186 31.538 31.700 0.041 0.000 1.011 404 P HA -0.018 nan 4.420 nan 0.000 0.262 404 P C 0.917 178.309 177.300 0.153 0.000 1.182 404 P CA 1.297 64.499 63.100 0.171 0.000 0.761 404 P CB -0.135 31.650 31.700 0.141 0.000 0.795 405 G N 2.894 111.802 108.800 0.179 0.000 2.213 405 G HA2 -0.255 3.705 3.960 0.000 0.000 0.236 405 G HA3 -0.255 3.705 3.960 0.000 0.000 0.236 405 G C 0.787 175.806 174.900 0.199 0.000 0.991 405 G CA 0.038 45.234 45.100 0.160 0.000 0.629 405 G HN 0.417 nan 8.290 nan 0.000 0.517 406 I N 0.300 121.020 120.570 0.250 0.000 2.339 406 I HA 0.155 4.325 4.170 0.000 0.000 0.245 406 I C 2.638 179.012 176.117 0.429 0.000 1.096 406 I CA 1.357 62.858 61.300 0.336 0.000 1.408 406 I CB -1.217 36.889 38.000 0.177 0.000 1.092 406 I HN 0.275 nan 8.210 nan 0.000 0.423 407 L N 1.053 122.532 121.223 0.425 0.000 2.083 407 L HA -0.199 4.141 4.340 0.000 0.000 0.209 407 L C 2.622 179.588 176.870 0.160 0.000 1.083 407 L CA 2.431 57.401 54.840 0.216 0.000 0.752 407 L CB -0.939 41.128 42.059 0.013 0.000 0.899 407 L HN 0.432 nan 8.230 nan 0.000 0.433 408 T N -4.278 110.373 114.554 0.161 0.000 2.857 408 T HA -0.138 4.212 4.350 0.000 0.000 0.266 408 T C 1.811 176.477 174.700 -0.057 0.000 1.048 408 T CA 0.899 63.060 62.100 0.101 0.000 1.139 408 T CB -0.322 68.609 68.868 0.105 0.000 0.874 408 T HN 0.340 nan 8.240 nan 0.000 0.455 409 Q N 0.076 119.836 119.800 -0.065 0.000 2.137 409 Q HA 0.096 4.436 4.340 0.000 0.000 0.198 409 Q C 1.219 176.904 176.000 -0.524 0.000 0.960 409 Q CA 1.298 56.910 55.803 -0.319 0.000 0.847 409 Q CB -0.083 28.442 28.738 -0.354 0.000 0.915 409 Q HN 0.772 nan 8.270 nan 0.000 0.448 410 Y N -1.547 118.694 120.300 -0.098 0.000 2.471 410 Y HA 0.269 4.819 4.550 0.000 0.000 0.249 410 Y C 2.012 177.806 175.900 -0.176 0.000 1.116 410 Y CA 0.067 58.092 58.100 -0.126 0.000 1.240 410 Y CB 0.206 38.629 38.460 -0.062 0.000 1.251 410 Y HN 0.091 nan 8.280 nan 0.000 0.527 411 G N 1.746 110.487 108.800 -0.098 0.000 2.476 411 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 411 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 411 G C 1.733 176.241 174.900 -0.653 0.000 1.164 411 G CA 1.194 46.161 45.100 -0.221 0.000 0.768 411 G HN 0.415 nan 8.290 nan 0.000 0.560 412 R N 0.143 119.869 120.500 -1.289 0.000 2.341 412 R HA 0.107 4.447 4.340 0.000 0.000 0.213 412 R C 1.514 177.572 176.300 -0.404 0.000 1.082 412 R CA 0.966 56.338 56.100 -1.213 0.000 1.017 412 R CB -0.414 29.151 30.300 -1.225 0.000 0.860 412 R HN 0.292 nan 8.270 nan 0.000 0.473 413 V N 0.985 120.726 119.914 -0.289 0.000 3.590 413 V HA 0.015 4.135 4.120 0.000 0.000 0.265 413 V C 2.218 178.207 176.094 -0.174 0.000 1.239 413 V CA 0.165 62.358 62.300 -0.179 0.000 1.117 413 V CB -0.006 31.727 31.823 -0.151 0.000 0.818 413 V HN 0.270 nan 8.190 nan 0.000 0.451 414 L N 0.946 122.108 121.223 -0.102 0.000 1.997 414 L HA -0.236 4.104 4.340 0.000 0.000 0.216 414 L C 2.389 179.192 176.870 -0.110 0.000 1.074 414 L CA 2.525 57.325 54.840 -0.067 0.000 0.763 414 L CB -0.204 41.920 42.059 0.109 0.000 0.890 414 L HN 0.464 nan 8.230 nan 0.000 0.434 415 R N -0.792 119.745 120.500 0.063 0.000 2.509 415 R HA 0.130 4.470 4.340 0.000 0.000 0.300 415 R C 0.611 177.057 176.300 0.243 0.000 0.985 415 R CA -0.232 55.995 56.100 0.211 0.000 1.092 415 R CB -0.083 30.405 30.300 0.314 0.000 1.237 415 R HN 0.238 nan 8.270 nan 0.000 0.546 416 Q N 2.797 122.659 119.800 0.103 0.000 2.271 416 Q HA 0.154 4.494 4.340 0.000 0.000 0.273 416 Q C -2.060 174.051 176.000 0.186 0.000 1.051 416 Q CA -2.031 53.835 55.803 0.105 0.000 0.901 416 Q CB 0.741 29.482 28.738 0.006 0.000 1.174 416 Q HN 0.036 nan 8.270 nan 0.000 0.385 417 P HA -0.059 nan 4.420 nan 0.000 0.265 417 P C -1.216 176.093 177.300 0.014 0.000 1.193 417 P CA 0.026 63.086 63.100 -0.067 0.000 0.765 417 P CB 0.638 32.047 31.700 -0.485 0.000 0.823 418 V N 3.870 123.828 119.914 0.074 0.000 2.277 418 V HA 0.122 4.242 4.120 0.000 0.000 0.269 418 V C 0.815 176.879 176.094 -0.050 0.000 1.036 418 V CA 0.273 62.596 62.300 0.038 0.000 0.821 418 V CB -0.128 31.762 31.823 0.113 0.000 1.052 418 V HN 0.776 nan 8.190 nan 0.000 0.462 419 D N 4.109 124.479 120.400 -0.051 0.000 4.438 419 D HA -0.308 4.332 4.640 0.000 0.000 0.158 419 D C 1.410 177.688 176.300 -0.036 0.000 0.686 419 D CA 2.463 56.449 54.000 -0.023 0.000 1.183 419 D CB -0.344 40.458 40.800 0.003 0.000 0.623 419 D HN 0.546 nan 8.370 nan 0.000 0.521 420 R N -0.208 120.297 120.500 0.008 0.000 2.432 420 R HA 0.435 4.775 4.340 0.000 0.000 0.260 420 R C -0.138 176.248 176.300 0.144 0.000 0.935 420 R CA -0.135 56.066 56.100 0.168 0.000 1.080 420 R CB 0.475 30.828 30.300 0.089 0.000 1.155 420 R HN 0.302 nan 8.270 nan 0.000 0.531 421 I N 1.252 121.753 120.570 -0.115 0.000 2.342 421 I HA 0.199 4.369 4.170 0.000 0.000 0.291 421 I C -0.603 175.143 176.117 -0.619 0.000 1.010 421 I CA -0.557 60.588 61.300 -0.258 0.000 1.308 421 I CB 0.616 38.447 38.000 -0.281 0.000 1.400 421 I HN -0.104 nan 8.210 nan 0.000 0.488 422 Y N 5.343 125.403 120.300 -0.400 0.000 2.446 422 Y HA 0.537 5.087 4.550 0.000 0.000 0.338 422 Y C -0.517 175.084 175.900 -0.498 0.000 1.055 422 Y CA -0.665 57.252 58.100 -0.305 0.000 1.101 422 Y CB 1.574 39.967 38.460 -0.111 0.000 1.221 422 Y HN 0.289 nan 8.280 nan 0.000 0.460 423 F N 1.533 121.590 119.950 0.179 0.000 2.426 423 F HA 0.716 5.243 4.527 0.000 0.000 0.348 423 F C 0.431 176.310 175.800 0.130 0.000 1.124 423 F CA -0.573 57.508 58.000 0.134 0.000 1.008 423 F CB 1.084 40.148 39.000 0.107 0.000 1.139 423 F HN 0.598 nan 8.300 nan 0.000 0.452 424 A N 2.220 125.184 122.820 0.240 0.000 3.444 424 A HA 0.962 5.282 4.320 0.000 0.000 0.189 424 A C 0.343 178.053 177.584 0.211 0.000 1.542 424 A CA -0.416 51.728 52.037 0.179 0.000 0.867 424 A CB 0.083 19.145 19.000 0.104 0.000 1.712 424 A HN 1.503 nan 8.150 nan 0.000 0.556 425 G N -2.513 106.390 108.800 0.172 0.000 2.785 425 G HA2 0.105 4.065 3.960 0.000 0.000 0.686 425 G HA3 0.105 4.065 3.960 0.000 0.000 0.686 425 G C 0.427 175.454 174.900 0.211 0.000 1.155 425 G CA 0.624 45.834 45.100 0.183 0.000 0.760 425 G HN 1.584 nan 8.290 nan 0.000 0.624 426 T N 0.074 114.754 114.554 0.209 0.000 2.849 426 T HA -0.100 4.250 4.350 0.000 0.000 0.270 426 T C 2.095 176.992 174.700 0.328 0.000 1.066 426 T CA 2.660 64.910 62.100 0.249 0.000 1.130 426 T CB -0.177 68.831 68.868 0.233 0.000 0.864 426 T HN 0.611 nan 8.240 nan 0.000 0.481 427 E N 0.501 120.902 120.200 0.334 0.000 2.265 427 E HA -0.065 4.285 4.350 0.000 0.000 0.196 427 E C 2.237 179.096 176.600 0.431 0.000 0.996 427 E CA 1.575 58.226 56.400 0.418 0.000 0.832 427 E CB -0.180 29.733 29.700 0.356 0.000 0.756 427 E HN 0.722 nan 8.360 nan 0.000 0.491 428 T N -2.625 112.145 114.554 0.360 0.000 3.086 428 T HA 0.457 4.807 4.350 0.000 0.000 0.250 428 T C 0.802 175.739 174.700 0.395 0.000 1.074 428 T CA 0.020 62.332 62.100 0.353 0.000 0.988 428 T CB 0.226 69.278 68.868 0.308 0.000 0.988 428 T HN 0.099 nan 8.240 nan 0.000 0.530 429 A N 1.825 124.884 122.820 0.398 0.000 2.346 429 A HA 0.533 4.853 4.320 0.000 0.000 0.252 429 A C 1.514 179.372 177.584 0.458 0.000 1.089 429 A CA 0.133 52.408 52.037 0.396 0.000 0.797 429 A CB 0.314 19.508 19.000 0.323 0.000 1.047 429 A HN 0.497 nan 8.150 nan 0.000 0.494 430 T N -2.468 112.337 114.554 0.419 0.000 3.010 430 T HA 0.234 4.584 4.350 0.000 0.000 0.257 430 T C 0.247 175.073 174.700 0.209 0.000 1.020 430 T CA 0.674 62.977 62.100 0.339 0.000 0.938 430 T CB -0.345 68.663 68.868 0.233 0.000 1.049 430 T HN 0.750 nan 8.240 nan 0.000 0.522 431 H N -0.990 118.126 119.070 0.076 0.000 3.018 431 H HA 0.268 4.824 4.556 0.000 0.000 0.334 431 H C -1.031 174.340 175.328 0.072 0.000 0.983 431 H CA -1.059 54.959 56.048 -0.049 0.000 1.363 431 H CB 0.821 30.608 29.762 0.041 0.000 1.668 431 H HN 0.311 nan 8.280 nan 0.000 0.513 432 W N 2.075 123.132 121.300 -0.405 0.000 5.121 432 W HA -0.248 4.412 4.660 0.000 0.000 0.372 432 W C 0.526 177.001 176.519 -0.074 0.000 1.394 432 W CA 0.943 58.037 57.345 -0.418 0.000 0.885 432 W CB -1.803 27.329 29.460 -0.546 0.000 2.520 432 W HN 0.405 nan 8.180 nan 0.000 1.455 433 S N 0.499 116.248 115.700 0.083 0.000 2.558 433 S HA 0.364 4.834 4.470 0.000 0.000 0.291 433 S C 1.469 176.277 174.600 0.347 0.000 1.306 433 S CA 1.876 60.237 58.200 0.268 0.000 1.056 433 S CB 0.762 64.207 63.200 0.409 0.000 0.836 433 S HN 1.502 nan 8.310 nan 0.000 0.504 434 G N 2.895 111.965 108.800 0.450 0.000 2.234 434 G HA2 -0.219 3.741 3.960 0.000 0.000 0.235 434 G HA3 -0.219 3.741 3.960 0.000 0.000 0.235 434 G C -0.134 174.841 174.900 0.125 0.000 0.997 434 G CA 0.389 45.736 45.100 0.411 0.000 0.623 434 G HN 0.693 nan 8.290 nan 0.000 0.514 435 Y N -0.495 119.912 120.300 0.179 0.000 2.631 435 Y HA 0.726 5.276 4.550 0.000 0.000 0.328 435 Y C 2.045 177.980 175.900 0.059 0.000 1.118 435 Y CA -0.709 57.445 58.100 0.090 0.000 1.206 435 Y CB 0.636 39.127 38.460 0.053 0.000 1.337 435 Y HN -0.024 nan 8.280 nan 0.000 0.515 436 M N -0.213 119.491 119.600 0.174 0.000 2.159 436 M HA -0.180 4.300 4.480 0.000 0.000 0.263 436 M C 1.843 178.198 176.300 0.092 0.000 1.063 436 M CA 1.811 57.176 55.300 0.109 0.000 1.110 436 M CB -0.248 32.411 32.600 0.097 0.000 1.374 436 M HN 0.768 nan 8.290 nan 0.000 0.411 437 E N 0.862 121.090 120.200 0.046 0.000 2.049 437 E HA -0.174 4.176 4.350 0.000 0.000 0.198 437 E C 1.967 178.627 176.600 0.099 0.000 1.007 437 E CA 2.204 58.599 56.400 -0.009 0.000 0.809 437 E CB -0.754 28.802 29.700 -0.239 0.000 0.749 437 E HN 0.435 nan 8.360 nan 0.000 0.450 438 G N -0.117 108.795 108.800 0.186 0.000 2.432 438 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 438 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 438 G C 1.691 176.705 174.900 0.190 0.000 1.135 438 G CA 1.131 46.365 45.100 0.222 0.000 0.767 438 G HN 0.480 nan 8.290 nan 0.000 0.550 439 A N 0.292 123.209 122.820 0.163 0.000 1.883 439 A HA 0.029 4.349 4.320 0.000 0.000 0.217 439 A C 2.614 180.256 177.584 0.098 0.000 1.186 439 A CA 1.945 54.060 52.037 0.130 0.000 0.624 439 A CB -0.661 18.404 19.000 0.108 0.000 0.822 439 A HN 0.263 nan 8.150 nan 0.000 0.444 440 V N 0.090 120.053 119.914 0.082 0.000 2.295 440 V HA -0.262 3.858 4.120 0.000 0.000 0.246 440 V C 2.544 178.674 176.094 0.059 0.000 1.049 440 V CA 2.206 64.540 62.300 0.056 0.000 1.024 440 V CB -0.803 31.046 31.823 0.044 0.000 0.648 440 V HN 0.735 nan 8.190 nan 0.000 0.447 441 E N 0.464 120.718 120.200 0.091 0.000 2.049 441 E HA -0.287 4.064 4.350 0.000 0.000 0.198 441 E C 2.224 178.856 176.600 0.054 0.000 1.007 441 E CA 1.853 58.314 56.400 0.102 0.000 0.809 441 E CB -0.181 29.631 29.700 0.186 0.000 0.749 441 E HN 0.547 nan 8.360 nan 0.000 0.450 442 A N 0.628 123.503 122.820 0.092 0.000 1.897 442 A HA -0.026 4.294 4.320 0.000 0.000 0.215 442 A C 2.417 180.019 177.584 0.030 0.000 1.181 442 A CA 1.601 53.684 52.037 0.076 0.000 0.620 442 A CB -1.011 18.085 19.000 0.161 0.000 0.821 442 A HN 0.447 nan 8.150 nan 0.000 0.443 443 G N -0.229 108.595 108.800 0.040 0.000 2.459 443 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 443 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 443 G C 1.436 176.321 174.900 -0.026 0.000 1.183 443 G CA 1.027 46.137 45.100 0.017 0.000 0.776 443 G HN 0.642 nan 8.290 nan 0.000 0.552 444 E N -0.237 119.943 120.200 -0.033 0.000 2.106 444 E HA -0.078 4.272 4.350 0.000 0.000 0.192 444 E C 2.538 179.063 176.600 -0.126 0.000 0.984 444 E CA 0.371 56.735 56.400 -0.060 0.000 0.806 444 E CB -0.115 29.565 29.700 -0.034 0.000 0.750 444 E HN 0.314 nan 8.360 nan 0.000 0.458 445 R N 1.100 121.488 120.500 -0.186 0.000 2.075 445 R HA -0.084 4.256 4.340 0.000 0.000 0.232 445 R C 2.146 178.271 176.300 -0.291 0.000 1.126 445 R CA 1.309 57.188 56.100 -0.369 0.000 0.963 445 R CB -0.188 29.712 30.300 -0.667 0.000 0.858 445 R HN 0.127 nan 8.270 nan 0.000 0.435 446 A N 0.987 123.709 122.820 -0.164 0.000 1.898 446 A HA -0.045 4.275 4.320 0.000 0.000 0.216 446 A C 2.408 179.890 177.584 -0.170 0.000 1.181 446 A CA 1.590 53.572 52.037 -0.092 0.000 0.620 446 A CB -0.686 18.320 19.000 0.011 0.000 0.819 446 A HN 0.522 nan 8.150 nan 0.000 0.442 447 A N -0.067 122.667 122.820 -0.144 0.000 1.883 447 A HA -0.209 4.111 4.320 0.000 0.000 0.217 447 A C 2.266 179.727 177.584 -0.204 0.000 1.186 447 A CA 1.699 53.642 52.037 -0.157 0.000 0.624 447 A CB -0.472 18.469 19.000 -0.098 0.000 0.822 447 A HN 0.554 nan 8.150 nan 0.000 0.444 448 R N -0.659 119.726 120.500 -0.191 0.000 2.115 448 R HA -0.049 4.291 4.340 0.000 0.000 0.226 448 R C 2.058 178.238 176.300 -0.201 0.000 1.100 448 R CA 1.082 57.077 56.100 -0.175 0.000 0.980 448 R CB -0.257 29.950 30.300 -0.154 0.000 0.875 448 R HN 0.670 nan 8.270 nan 0.000 0.445 449 E N 0.743 120.787 120.200 -0.260 0.000 2.097 449 E HA -0.222 4.128 4.350 0.000 0.000 0.196 449 E C 1.951 178.243 176.600 -0.513 0.000 1.000 449 E CA 1.244 57.478 56.400 -0.276 0.000 0.804 449 E CB -0.105 29.464 29.700 -0.219 0.000 0.740 449 E HN 0.348 nan 8.360 nan 0.000 0.454 450 I N 0.847 120.985 120.570 -0.720 0.000 2.202 450 I HA -0.271 3.899 4.170 0.000 0.000 0.242 450 I C 2.378 178.169 176.117 -0.542 0.000 1.091 450 I CA 0.781 61.554 61.300 -0.878 0.000 1.368 450 I CB -0.182 37.352 38.000 -0.777 0.000 1.058 450 I HN 0.114 nan 8.210 nan 0.000 0.410 451 L N 0.070 121.102 121.223 -0.318 0.000 2.043 451 L HA -0.315 4.025 4.340 0.000 0.000 0.212 451 L C 2.737 179.528 176.870 -0.130 0.000 1.075 451 L CA 1.869 56.600 54.840 -0.183 0.000 0.752 451 L CB -0.962 41.029 42.059 -0.114 0.000 0.891 451 L HN 0.387 nan 8.230 nan 0.000 0.432 452 H N -0.127 118.830 119.070 -0.189 0.000 2.389 452 H HA -0.090 4.466 4.556 0.000 0.000 0.299 452 H C 2.103 177.366 175.328 -0.109 0.000 1.081 452 H CA 1.407 57.385 56.048 -0.117 0.000 1.345 452 H CB 0.079 29.793 29.762 -0.080 0.000 1.393 452 H HN 0.271 nan 8.280 nan 0.000 0.520 453 A N 0.461 123.113 122.820 -0.280 0.000 1.972 453 A HA -0.129 4.191 4.320 0.000 0.000 0.219 453 A C 2.233 179.712 177.584 -0.176 0.000 1.169 453 A CA 1.685 53.572 52.037 -0.249 0.000 0.635 453 A CB -0.572 18.263 19.000 -0.275 0.000 0.810 453 A HN 0.563 nan 8.150 nan 0.000 0.446 454 M N -1.423 118.057 119.600 -0.201 0.000 2.618 454 M HA 0.164 4.644 4.480 0.000 0.000 0.240 454 M C 1.347 177.600 176.300 -0.078 0.000 1.123 454 M CA 0.753 56.010 55.300 -0.071 0.000 1.060 454 M CB 0.188 32.754 32.600 -0.057 0.000 1.535 454 M HN 0.608 nan 8.290 nan 0.000 0.507 455 G N 1.137 109.850 108.800 -0.145 0.000 2.143 455 G HA2 -0.271 3.689 3.960 0.000 0.000 0.249 455 G HA3 -0.271 3.689 3.960 0.000 0.000 0.249 455 G C 0.871 175.736 174.900 -0.058 0.000 0.981 455 G CA 0.483 45.513 45.100 -0.117 0.000 0.665 455 G HN 0.469 nan 8.290 nan 0.000 0.528 456 K N -0.427 119.940 120.400 -0.055 0.000 2.243 456 K HA 0.291 4.611 4.320 0.000 0.000 0.201 456 K C 1.366 177.962 176.600 -0.006 0.000 1.051 456 K CA 1.313 57.582 56.287 -0.030 0.000 0.970 456 K CB 0.222 32.698 32.500 -0.040 0.000 0.755 456 K HN 0.819 nan 8.250 nan 0.000 0.465 457 I N -1.909 118.672 120.570 0.019 0.000 2.865 457 I HA 0.446 4.617 4.170 0.000 0.000 0.302 457 I C -2.956 173.250 176.117 0.148 0.000 1.140 457 I CA -3.038 58.295 61.300 0.056 0.000 1.021 457 I CB 2.344 40.364 38.000 0.033 0.000 1.233 457 I HN -0.254 nan 8.210 nan 0.000 0.427 458 P HA 0.080 nan 4.420 nan 0.000 0.272 458 P C 0.208 177.554 177.300 0.077 0.000 1.230 458 P CA 0.003 63.189 63.100 0.144 0.000 0.788 458 P CB 1.073 32.815 31.700 0.070 0.000 0.949 459 E N 1.075 121.245 120.200 -0.050 0.000 2.130 459 E HA -0.220 4.130 4.350 0.000 0.000 0.196 459 E C 1.090 177.604 176.600 -0.142 0.000 0.998 459 E CA 1.561 57.716 56.400 -0.409 0.000 0.806 459 E CB -0.123 29.396 29.700 -0.302 0.000 0.738 459 E HN 0.552 nan 8.360 nan 0.000 0.459 460 D N -0.536 119.844 120.400 -0.033 0.000 2.378 460 D HA -0.131 4.509 4.640 0.000 0.000 0.227 460 D C 0.901 177.225 176.300 0.041 0.000 1.012 460 D CA 0.501 54.512 54.000 0.019 0.000 0.905 460 D CB -0.067 40.746 40.800 0.022 0.000 0.895 460 D HN 0.257 nan 8.370 nan 0.000 0.532 461 E N -0.310 119.900 120.200 0.017 0.000 2.498 461 E HA 0.165 4.515 4.350 0.000 0.000 0.203 461 E C 1.938 178.538 176.600 -0.000 0.000 1.013 461 E CA -0.296 56.117 56.400 0.022 0.000 0.927 461 E CB 0.405 30.114 29.700 0.015 0.000 1.012 461 E HN 0.262 nan 8.360 nan 0.000 0.482 462 I N 0.068 120.624 120.570 -0.023 0.000 2.163 462 I HA -0.197 3.973 4.170 0.000 0.000 0.243 462 I C 0.414 176.403 176.117 -0.213 0.000 1.085 462 I CA 1.218 62.441 61.300 -0.129 0.000 1.347 462 I CB 0.044 37.963 38.000 -0.135 0.000 1.044 462 I HN 0.094 nan 8.210 nan 0.000 0.408 463 W N 1.594 122.891 121.300 -0.005 0.000 2.349 463 W HA 0.494 5.154 4.660 0.000 0.000 0.309 463 W C 0.109 176.633 176.519 0.009 0.000 1.083 463 W CA -0.251 57.102 57.345 0.013 0.000 1.224 463 W CB 0.572 30.042 29.460 0.016 0.000 1.256 463 W HN -0.054 nan 8.180 nan 0.000 0.461 464 Q N 2.724 122.639 119.800 0.192 0.000 2.330 464 Q HA 0.387 4.727 4.340 0.000 0.000 0.269 464 Q C 0.143 176.218 176.000 0.125 0.000 1.022 464 Q CA -0.517 55.357 55.803 0.120 0.000 0.796 464 Q CB 1.738 30.511 28.738 0.058 0.000 1.271 464 Q HN 0.557 nan 8.270 nan 0.000 0.450 465 S N 2.514 118.272 115.700 0.098 0.000 2.579 465 S HA 0.195 4.665 4.470 0.000 0.000 0.275 465 S C -0.188 174.454 174.600 0.069 0.000 1.345 465 S CA -0.498 57.750 58.200 0.080 0.000 1.031 465 S CB 1.322 64.552 63.200 0.051 0.000 0.892 465 S HN 0.661 nan 8.310 nan 0.000 0.529 466 E N 1.503 121.746 120.200 0.072 0.000 2.176 466 E HA 0.560 4.910 4.350 0.000 0.000 0.267 466 E C -2.707 173.922 176.600 0.049 0.000 0.893 466 E CA -2.206 54.232 56.400 0.063 0.000 0.761 466 E CB 0.893 30.641 29.700 0.080 0.000 1.133 466 E HN 0.549 nan 8.360 nan 0.000 0.409 467 P HA 0.057 nan 4.420 nan 0.000 0.268 467 P C -0.723 176.594 177.300 0.030 0.000 1.205 467 P CA -0.167 62.950 63.100 0.028 0.000 0.771 467 P CB 0.522 32.235 31.700 0.022 0.000 0.858 468 E N 1.870 122.086 120.200 0.026 0.000 2.414 468 E HA 0.063 4.413 4.350 0.000 0.000 0.263 468 E C -0.122 176.487 176.600 0.016 0.000 1.000 468 E CA -0.291 56.123 56.400 0.024 0.000 0.914 468 E CB 0.413 30.125 29.700 0.021 0.000 0.948 468 E HN 0.360 nan 8.360 nan 0.000 0.444 469 S N 2.595 118.302 115.700 0.011 0.000 2.552 469 S HA -0.052 4.418 4.470 0.000 0.000 0.289 469 S C 1.096 175.699 174.600 0.005 0.000 1.304 469 S CA -0.036 58.168 58.200 0.006 0.000 1.063 469 S CB 0.820 64.017 63.200 -0.005 0.000 0.848 469 S HN 0.548 nan 8.310 nan 0.000 0.499 470 V N 1.834 121.752 119.914 0.007 0.000 3.235 470 V HA 0.113 4.233 4.120 0.000 0.000 0.259 470 V C 1.302 177.399 176.094 0.005 0.000 1.133 470 V CA 1.331 63.635 62.300 0.006 0.000 1.128 470 V CB -0.427 31.401 31.823 0.008 0.000 0.757 470 V HN 0.826 nan 8.190 nan 0.000 0.469 471 D N 0.962 121.364 120.400 0.004 0.000 2.271 471 D HA 0.114 4.754 4.640 0.000 0.000 0.206 471 D C 0.678 176.973 176.300 -0.009 0.000 0.967 471 D CA 1.077 55.079 54.000 0.003 0.000 0.867 471 D CB 0.996 41.802 40.800 0.010 0.000 0.960 471 D HN 0.515 nan 8.370 nan 0.000 0.509 472 V N 3.569 123.473 119.914 -0.018 0.000 2.405 472 V HA 0.194 4.314 4.120 0.000 0.000 0.253 472 V C -2.412 173.666 176.094 -0.028 0.000 0.963 472 V CA -1.190 61.089 62.300 -0.035 0.000 1.003 472 V CB 1.322 33.106 31.823 -0.066 0.000 1.251 472 V HN -0.039 nan 8.190 nan 0.000 0.520 473 P HA 0.437 nan 4.420 nan 0.000 0.277 473 P C -0.427 176.868 177.300 -0.008 0.000 1.240 473 P CA -0.091 63.005 63.100 -0.008 0.000 0.798 473 P CB 1.761 33.460 31.700 -0.003 0.000 0.979 474 A N 2.791 125.612 122.820 0.001 0.000 2.274 474 A HA 0.327 4.647 4.320 0.000 0.000 0.309 474 A C 0.275 177.862 177.584 0.004 0.000 1.226 474 A CA -0.515 51.525 52.037 0.005 0.000 0.853 474 A CB 0.161 19.174 19.000 0.022 0.000 1.146 474 A HN 0.437 nan 8.150 nan 0.000 0.518 475 Q N 2.715 122.516 119.800 0.000 0.000 2.293 475 Q HA 0.332 4.672 4.340 0.000 0.000 0.251 475 Q C -2.263 173.737 176.000 0.001 0.000 0.930 475 Q CA -1.728 54.075 55.803 0.000 0.000 0.893 475 Q CB 0.803 29.540 28.738 -0.001 0.000 1.215 475 Q HN 0.572 nan 8.270 nan 0.000 0.425 476 P HA 0.166 nan 4.420 nan 0.000 0.272 476 P C -0.323 176.973 177.300 -0.006 0.000 1.223 476 P CA -0.340 62.757 63.100 -0.004 0.000 0.784 476 P CB 0.786 32.483 31.700 -0.005 0.000 0.923 477 I N 2.375 122.937 120.570 -0.013 0.000 2.337 477 I HA 0.141 4.311 4.170 0.000 0.000 0.291 477 I C 1.135 177.246 176.117 -0.011 0.000 1.046 477 I CA 0.228 61.519 61.300 -0.015 0.000 1.324 477 I CB -0.004 37.979 38.000 -0.028 0.000 1.409 477 I HN 0.394 nan 8.210 nan 0.000 0.494 478 T N 2.172 116.726 114.554 -0.001 0.000 2.918 478 T HA 0.757 5.107 4.350 0.000 0.000 0.286 478 T C 0.121 174.823 174.700 0.004 0.000 1.026 478 T CA -0.731 61.371 62.100 0.003 0.000 1.031 478 T CB 2.030 70.905 68.868 0.012 0.000 1.046 478 T HN 0.626 nan 8.240 nan 0.000 0.479 479 T N -1.020 113.533 114.554 -0.001 0.000 2.932 479 T HA 0.728 5.078 4.350 0.000 0.000 0.289 479 T C 0.398 175.109 174.700 0.018 0.000 1.039 479 T CA -0.773 61.323 62.100 -0.008 0.000 1.024 479 T CB 1.359 70.200 68.868 -0.045 0.000 1.090 479 T HN 0.965 nan 8.240 nan 0.000 0.496 480 T N -0.675 113.895 114.554 0.027 0.000 2.881 480 T HA 0.416 4.766 4.350 0.000 0.000 0.278 480 T C 0.815 175.579 174.700 0.106 0.000 0.982 480 T CA -0.861 61.287 62.100 0.079 0.000 0.989 480 T CB 0.644 69.562 68.868 0.084 0.000 1.058 480 T HN 0.517 nan 8.240 nan 0.000 0.529 481 F N 0.680 120.656 119.950 0.043 0.000 2.095 481 F HA 0.022 4.549 4.527 0.000 0.000 0.298 481 F C 1.967 177.839 175.800 0.122 0.000 1.104 481 F CA 1.393 59.458 58.000 0.108 0.000 1.232 481 F CB -0.493 38.570 39.000 0.104 0.000 0.987 481 F HN 0.484 nan 8.300 nan 0.000 0.475 482 L N 0.000 121.310 121.223 0.144 0.000 2.046 482 L HA -0.218 4.122 4.340 0.000 0.000 0.208 482 L C 2.420 179.266 176.870 -0.040 0.000 1.077 482 L CA 1.786 56.650 54.840 0.039 0.000 0.747 482 L CB -0.884 41.250 42.059 0.125 0.000 0.896 482 L HN 0.212 nan 8.230 nan 0.000 0.432 483 E N -0.043 120.143 120.200 -0.023 0.000 2.097 483 E HA -0.260 4.090 4.350 0.000 0.000 0.196 483 E C 2.342 178.835 176.600 -0.179 0.000 1.000 483 E CA 1.347 57.704 56.400 -0.073 0.000 0.804 483 E CB -0.039 29.626 29.700 -0.058 0.000 0.740 483 E HN 0.406 nan 8.360 nan 0.000 0.454 484 R N -0.572 119.756 120.500 -0.287 0.000 2.090 484 R HA -0.048 4.292 4.340 0.000 0.000 0.228 484 R C 1.792 177.687 176.300 -0.675 0.000 1.110 484 R CA 1.028 56.818 56.100 -0.517 0.000 0.973 484 R CB 0.052 29.921 30.300 -0.719 0.000 0.869 484 R HN 0.302 nan 8.270 nan 0.000 0.440 485 H N -0.843 118.031 119.070 -0.326 0.000 2.827 485 H HA 0.203 4.759 4.556 0.000 0.000 0.269 485 H C 0.348 175.550 175.328 -0.210 0.000 1.031 485 H CA -0.195 55.657 56.048 -0.327 0.000 1.202 485 H CB 0.463 29.881 29.762 -0.574 0.000 1.511 485 H HN 0.031 nan 8.280 nan 0.000 0.517 486 L N 4.340 125.516 121.223 -0.078 0.000 2.514 486 L HA 0.048 4.388 4.340 0.000 0.000 0.280 486 L C -1.663 175.177 176.870 -0.051 0.000 1.223 486 L CA -1.338 53.485 54.840 -0.028 0.000 0.864 486 L CB 0.288 42.365 42.059 0.030 0.000 1.118 486 L HN -0.005 nan 8.230 nan 0.000 0.494 487 P HA 0.138 nan 4.420 nan 0.000 0.276 487 P C -0.633 176.609 177.300 -0.096 0.000 1.244 487 P CA -0.597 62.460 63.100 -0.071 0.000 0.801 487 P CB 1.105 32.764 31.700 -0.068 0.000 1.006 488 S N 0.103 115.725 115.700 -0.131 0.000 2.626 488 S HA 0.092 4.562 4.470 0.000 0.000 0.257 488 S C 1.542 175.991 174.600 -0.251 0.000 1.288 488 S CA -0.535 57.558 58.200 -0.178 0.000 0.980 488 S CB -0.510 62.576 63.200 -0.190 0.000 0.975 488 S HN 0.226 nan 8.310 nan 0.000 0.577 489 V N 2.418 122.110 119.914 -0.370 0.000 2.237 489 V HA -0.075 4.045 4.120 0.000 0.000 0.245 489 V C -0.451 175.227 176.094 -0.695 0.000 1.046 489 V CA 1.891 63.891 62.300 -0.500 0.000 1.007 489 V CB -2.007 29.501 31.823 -0.526 0.000 0.638 489 V HN 0.781 nan 8.190 nan 0.000 0.445 490 P HA -0.139 nan 4.420 nan 0.000 0.216 490 P C 1.766 178.855 177.300 -0.353 0.000 1.150 490 P CA 2.079 64.722 63.100 -0.761 0.000 0.837 490 P CB -0.338 31.015 31.700 -0.577 0.000 0.786 491 G N 0.572 109.206 108.800 -0.276 0.000 2.446 491 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 491 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 491 G C 1.555 176.372 174.900 -0.139 0.000 1.168 491 G CA 0.696 45.698 45.100 -0.163 0.000 0.771 491 G HN 0.240 nan 8.290 nan 0.000 0.551 492 L N 0.421 121.548 121.223 -0.161 0.000 2.046 492 L HA 0.059 4.399 4.340 0.000 0.000 0.208 492 L C 2.792 179.596 176.870 -0.110 0.000 1.077 492 L CA 1.333 56.103 54.840 -0.116 0.000 0.747 492 L CB -0.357 41.636 42.059 -0.110 0.000 0.896 492 L HN 0.222 nan 8.230 nan 0.000 0.432 493 L N -1.074 120.054 121.223 -0.157 0.000 2.017 493 L HA -0.206 4.134 4.340 0.000 0.000 0.208 493 L C 2.819 179.643 176.870 -0.077 0.000 1.073 493 L CA 1.070 55.840 54.840 -0.117 0.000 0.745 493 L CB -0.698 41.265 42.059 -0.160 0.000 0.894 493 L HN 0.232 nan 8.230 nan 0.000 0.432 494 R N -0.094 120.353 120.500 -0.088 0.000 2.091 494 R HA -0.167 4.173 4.340 0.000 0.000 0.238 494 R C 2.161 178.437 176.300 -0.040 0.000 1.136 494 R CA 1.267 57.335 56.100 -0.053 0.000 0.959 494 R CB -0.922 29.346 30.300 -0.054 0.000 0.856 494 R HN 0.249 nan 8.270 nan 0.000 0.437 495 L N 0.670 121.864 121.223 -0.048 0.000 2.201 495 L HA -0.057 4.283 4.340 0.000 0.000 0.212 495 L C 2.158 179.012 176.870 -0.027 0.000 1.105 495 L CA 1.245 56.065 54.840 -0.035 0.000 0.775 495 L CB -0.203 41.833 42.059 -0.038 0.000 0.913 495 L HN 0.083 nan 8.230 nan 0.000 0.440 496 I N -1.712 118.840 120.570 -0.030 0.000 2.277 496 I HA -0.122 4.048 4.170 0.000 0.000 0.243 496 I C 2.461 178.570 176.117 -0.013 0.000 1.094 496 I CA 1.071 62.359 61.300 -0.020 0.000 1.393 496 I CB -0.891 37.097 38.000 -0.021 0.000 1.078 496 I HN 0.282 nan 8.210 nan 0.000 0.417 497 G N 1.202 109.994 108.800 -0.015 0.000 2.476 497 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 497 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 497 G C 1.586 176.483 174.900 -0.006 0.000 1.164 497 G CA 0.832 45.928 45.100 -0.007 0.000 0.768 497 G HN 0.150 nan 8.290 nan 0.000 0.560 498 L N 0.567 121.784 121.223 -0.009 0.000 2.017 498 L HA -0.014 4.326 4.340 0.000 0.000 0.208 498 L C 3.209 180.075 176.870 -0.006 0.000 1.073 498 L CA 2.087 56.923 54.840 -0.007 0.000 0.745 498 L CB -1.030 41.023 42.059 -0.010 0.000 0.894 498 L HN 0.178 nan 8.230 nan 0.000 0.432 499 T N -1.404 113.146 114.554 -0.007 0.000 2.614 499 T HA -0.139 4.211 4.350 0.000 0.000 0.263 499 T C 0.865 175.563 174.700 -0.003 0.000 1.055 499 T CA 1.604 63.701 62.100 -0.005 0.000 1.162 499 T CB -0.329 68.536 68.868 -0.006 0.000 0.863 499 T HN 0.279 nan 8.240 nan 0.000 0.414 500 T N 2.778 117.331 114.554 -0.003 0.000 3.859 500 T HA 0.545 4.895 4.350 0.000 0.000 0.251 500 T C 0.027 174.727 174.700 0.000 0.000 1.079 500 T CA 0.053 62.153 62.100 -0.000 0.000 1.151 500 T CB -1.465 67.403 68.868 0.000 0.000 1.173 500 T HN 0.445 nan 8.240 nan 0.000 0.885 501 I N 0.000 120.570 120.570 0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.001 0.000 1.566 501 I CB 0.000 38.001 38.000 0.001 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494