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 2xcg_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.496 175.510 -0.023 0.000 1.280 3 N CA 0.000 52.948 53.050 -0.171 0.000 0.885 3 N CB 0.000 38.216 38.487 -0.452 0.000 1.341 4 K N 1.199 121.607 120.400 0.013 0.000 2.138 4 K HA 0.847 5.167 4.320 -0.000 0.000 0.263 4 K C -0.350 176.288 176.600 0.063 0.000 0.965 4 K CA -0.712 55.598 56.287 0.038 0.000 0.868 4 K CB 1.437 33.946 32.500 0.014 0.000 1.083 4 K HN 0.661 nan 8.250 nan 0.000 0.443 5 C N -1.262 118.080 119.300 0.070 0.000 3.314 5 C HA 0.376 4.836 4.460 -0.000 0.000 0.344 5 C C 0.645 175.669 174.990 0.057 0.000 1.461 5 C CA -0.779 58.280 59.018 0.069 0.000 1.249 5 C CB 0.882 28.677 27.740 0.092 0.000 1.632 5 C HN 0.819 nan 8.230 nan 0.000 0.452 6 D N 0.296 120.732 120.400 0.059 0.000 2.120 6 D HA 0.132 4.772 4.640 -0.000 0.000 0.202 6 D C 0.383 176.742 176.300 0.100 0.000 0.972 6 D CA 1.697 55.739 54.000 0.070 0.000 0.837 6 D CB 0.228 41.068 40.800 0.068 0.000 0.989 6 D HN 0.504 nan 8.370 nan 0.000 0.469 7 V N 1.201 121.166 119.914 0.085 0.000 2.733 7 V HA 0.260 4.380 4.120 -0.000 0.000 0.306 7 V C -0.249 175.875 176.094 0.050 0.000 1.084 7 V CA -0.862 61.491 62.300 0.089 0.000 0.905 7 V CB 2.880 34.746 31.823 0.071 0.000 1.010 7 V HN -0.255 nan 8.190 nan 0.000 0.424 8 V N 4.966 124.905 119.914 0.041 0.000 2.427 8 V HA 0.460 4.580 4.120 -0.000 0.000 0.286 8 V C -0.147 175.938 176.094 -0.015 0.000 1.034 8 V CA -0.464 61.830 62.300 -0.010 0.000 0.893 8 V CB 1.928 33.741 31.823 -0.018 0.000 0.982 8 V HN 0.633 nan 8.190 nan 0.000 0.452 9 V N 6.040 125.929 119.914 -0.040 0.000 2.370 9 V HA 0.333 4.453 4.120 -0.000 0.000 0.283 9 V C -0.035 176.031 176.094 -0.046 0.000 1.023 9 V CA -0.597 61.686 62.300 -0.029 0.000 0.857 9 V CB 1.809 33.618 31.823 -0.024 0.000 0.985 9 V HN 0.607 nan 8.190 nan 0.000 0.443 10 V N 4.642 124.542 119.914 -0.023 0.000 2.389 10 V HA 0.781 4.901 4.120 -0.000 0.000 0.264 10 V C 0.719 176.813 176.094 0.001 0.000 1.049 10 V CA 0.471 62.758 62.300 -0.022 0.000 0.932 10 V CB 0.370 32.197 31.823 0.007 0.000 1.011 10 V HN 1.265 nan 8.190 nan 0.000 0.475 11 G N 3.648 112.435 108.800 -0.021 0.000 3.367 11 G HA2 0.195 4.155 3.960 -0.000 0.000 0.686 11 G HA3 0.195 4.155 3.960 -0.000 0.000 0.686 11 G C 0.058 174.956 174.900 -0.003 0.000 1.146 11 G CA -0.510 44.590 45.100 0.000 0.000 0.913 11 G HN 1.209 nan 8.290 nan 0.000 0.554 12 G N 0.796 109.592 108.800 -0.007 0.000 4.098 12 G HA2 0.684 4.644 3.960 -0.000 0.000 0.300 12 G HA3 0.684 4.644 3.960 -0.000 0.000 0.300 12 G C 0.879 175.791 174.900 0.020 0.000 1.187 12 G CA 0.926 46.023 45.100 -0.005 0.000 0.964 12 G HN 1.293 nan 8.290 nan 0.000 0.559 13 G N -0.093 108.730 108.800 0.039 0.000 2.535 13 G HA2 0.344 4.304 3.960 -0.000 0.000 0.282 13 G HA3 0.344 4.304 3.960 -0.000 0.000 0.282 13 G C 1.200 176.124 174.900 0.040 0.000 1.350 13 G CA -0.745 44.388 45.100 0.055 0.000 1.039 13 G HN 0.140 nan 8.290 nan 0.000 0.509 14 I N -0.577 120.019 120.570 0.044 0.000 2.194 14 I HA -0.228 3.942 4.170 -0.000 0.000 0.246 14 I C 3.024 179.161 176.117 0.035 0.000 1.093 14 I CA 1.702 63.020 61.300 0.030 0.000 1.355 14 I CB -0.098 37.922 38.000 0.034 0.000 1.046 14 I HN 0.470 nan 8.210 nan 0.000 0.413 15 S N 0.423 116.156 115.700 0.056 0.000 2.355 15 S HA -0.115 4.355 4.470 -0.000 0.000 0.222 15 S C 2.119 176.744 174.600 0.041 0.000 1.031 15 S CA 1.533 59.769 58.200 0.061 0.000 0.993 15 S CB -0.620 62.635 63.200 0.092 0.000 0.859 15 S HN 0.572 nan 8.310 nan 0.000 0.453 16 G N 1.760 110.583 108.800 0.039 0.000 2.446 16 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 16 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 16 G C 1.468 176.369 174.900 0.001 0.000 1.168 16 G CA 1.067 46.179 45.100 0.020 0.000 0.771 16 G HN 0.399 nan 8.290 nan 0.000 0.551 17 M N 1.159 120.758 119.600 -0.002 0.000 2.117 17 M HA 0.037 4.517 4.480 -0.000 0.000 0.262 17 M C 3.039 179.328 176.300 -0.018 0.000 1.065 17 M CA 1.339 56.628 55.300 -0.018 0.000 1.114 17 M CB -1.326 31.260 32.600 -0.023 0.000 1.361 17 M HN 0.323 nan 8.290 nan 0.000 0.408 18 A N 0.348 123.163 122.820 -0.007 0.000 1.902 18 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 18 A C 2.464 180.043 177.584 -0.008 0.000 1.181 18 A CA 2.261 54.294 52.037 -0.006 0.000 0.623 18 A CB -0.958 18.045 19.000 0.005 0.000 0.818 18 A HN 0.479 nan 8.150 nan 0.000 0.443 19 A N -0.149 122.667 122.820 -0.006 0.000 1.877 19 A HA 0.135 4.455 4.320 -0.000 0.000 0.216 19 A C 2.535 180.111 177.584 -0.013 0.000 1.186 19 A CA 2.280 54.307 52.037 -0.016 0.000 0.620 19 A CB -1.095 17.896 19.000 -0.015 0.000 0.822 19 A HN 1.088 nan 8.150 nan 0.000 0.443 20 A N -0.344 122.470 122.820 -0.010 0.000 1.902 20 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 20 A C 2.145 179.739 177.584 0.017 0.000 1.181 20 A CA 2.017 54.052 52.037 -0.003 0.000 0.623 20 A CB -0.489 18.498 19.000 -0.021 0.000 0.818 20 A HN 0.564 nan 8.150 nan 0.000 0.443 21 K N -0.439 119.959 120.400 -0.003 0.000 2.032 21 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 21 K C 1.997 178.632 176.600 0.059 0.000 1.048 21 K CA 1.649 57.945 56.287 0.015 0.000 0.927 21 K CB -0.323 32.169 32.500 -0.014 0.000 0.712 21 K HN 0.467 nan 8.250 nan 0.000 0.441 22 L N 1.083 122.319 121.223 0.023 0.000 2.017 22 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 22 L C 2.191 179.069 176.870 0.013 0.000 1.073 22 L CA 1.143 55.989 54.840 0.011 0.000 0.745 22 L CB -0.142 41.908 42.059 -0.016 0.000 0.894 22 L HN 0.252 nan 8.230 nan 0.000 0.432 23 L N -1.030 120.201 121.223 0.013 0.000 2.017 23 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 23 L C 2.597 179.490 176.870 0.039 0.000 1.073 23 L CA 1.604 56.449 54.840 0.008 0.000 0.745 23 L CB -0.891 41.168 42.059 -0.000 0.000 0.894 23 L HN 0.414 nan 8.230 nan 0.000 0.432 24 H N 0.382 119.439 119.070 -0.021 0.000 2.319 24 H HA -0.228 4.328 4.556 -0.000 0.000 0.297 24 H C 1.823 177.142 175.328 -0.015 0.000 1.097 24 H CA 2.216 58.255 56.048 -0.015 0.000 1.285 24 H CB -0.004 29.750 29.762 -0.014 0.000 1.368 24 H HN 0.238 nan 8.280 nan 0.000 0.495 25 D N -0.668 119.766 120.400 0.055 0.000 2.218 25 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 25 D C 2.122 178.386 176.300 -0.061 0.000 0.976 25 D CA 1.403 55.397 54.000 -0.011 0.000 0.853 25 D CB -0.416 40.409 40.800 0.040 0.000 0.939 25 D HN 0.546 nan 8.370 nan 0.000 0.481 26 S N -1.136 114.533 115.700 -0.051 0.000 2.593 26 S HA 0.270 4.740 4.470 -0.000 0.000 0.217 26 S C 1.624 176.183 174.600 -0.068 0.000 0.966 26 S CA 0.678 58.847 58.200 -0.051 0.000 0.914 26 S CB 0.365 63.542 63.200 -0.039 0.000 0.776 26 S HN 0.286 nan 8.310 nan 0.000 0.523 27 G N 0.550 109.283 108.800 -0.111 0.000 2.175 27 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 27 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 27 G C -0.097 174.757 174.900 -0.077 0.000 0.982 27 G CA 0.098 45.130 45.100 -0.112 0.000 0.641 27 G HN 0.524 nan 8.290 nan 0.000 0.527 28 L N 0.746 121.938 121.223 -0.052 0.000 2.418 28 L HA 0.379 4.719 4.340 -0.000 0.000 0.265 28 L C 0.243 177.118 176.870 0.007 0.000 1.143 28 L CA -0.971 53.861 54.840 -0.012 0.000 0.809 28 L CB 0.526 42.587 42.059 0.004 0.000 1.124 28 L HN 0.021 nan 8.230 nan 0.000 0.456 29 N N 2.150 120.866 118.700 0.027 0.000 2.401 29 N HA 0.246 4.986 4.740 -0.000 0.000 0.255 29 N C -0.609 174.939 175.510 0.064 0.000 1.110 29 N CA -0.080 53.002 53.050 0.052 0.000 0.949 29 N CB 1.457 39.971 38.487 0.046 0.000 1.110 29 N HN 0.360 nan 8.380 nan 0.000 0.490 30 V N 0.216 120.178 119.914 0.080 0.000 2.815 30 V HA 0.751 4.871 4.120 -0.000 0.000 0.314 30 V C -0.080 176.037 176.094 0.037 0.000 1.064 30 V CA -0.721 61.612 62.300 0.056 0.000 0.952 30 V CB 1.999 33.853 31.823 0.053 0.000 1.020 30 V HN 0.160 nan 8.190 nan 0.000 0.439 31 V N 3.405 123.321 119.914 0.003 0.000 2.709 31 V HA 0.554 4.674 4.120 -0.000 0.000 0.308 31 V C -0.405 175.633 176.094 -0.093 0.000 1.062 31 V CA -0.539 61.735 62.300 -0.044 0.000 0.901 31 V CB 2.129 33.914 31.823 -0.064 0.000 1.003 31 V HN 0.846 nan 8.190 nan 0.000 0.425 32 V N 5.875 125.726 119.914 -0.105 0.000 2.370 32 V HA 0.471 4.591 4.120 -0.000 0.000 0.283 32 V C -0.264 175.733 176.094 -0.161 0.000 1.023 32 V CA -0.459 61.776 62.300 -0.109 0.000 0.857 32 V CB 1.525 33.304 31.823 -0.073 0.000 0.985 32 V HN 0.616 nan 8.190 nan 0.000 0.443 33 L N 4.470 125.582 121.223 -0.186 0.000 2.265 33 L HA 0.608 4.948 4.340 -0.000 0.000 0.289 33 L C -0.190 176.595 176.870 -0.142 0.000 1.033 33 L CA -0.376 54.337 54.840 -0.211 0.000 0.814 33 L CB 1.426 43.321 42.059 -0.273 0.000 1.203 33 L HN 0.598 nan 8.230 nan 0.000 0.423 34 E N 2.301 122.423 120.200 -0.130 0.000 2.158 34 E HA 0.479 4.829 4.350 -0.000 0.000 0.271 34 E C 0.347 176.841 176.600 -0.177 0.000 0.911 34 E CA -0.327 55.999 56.400 -0.123 0.000 0.767 34 E CB 2.046 31.698 29.700 -0.082 0.000 1.120 34 E HN 0.559 nan 8.360 nan 0.000 0.405 35 A N 5.544 128.195 122.820 -0.282 0.000 1.902 35 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 35 A C 1.087 178.445 177.584 -0.377 0.000 1.181 35 A CA 1.024 52.761 52.037 -0.499 0.000 0.623 35 A CB -0.204 18.079 19.000 -1.196 0.000 0.818 35 A HN 0.606 nan 8.150 nan 0.000 0.443 36 R N -0.006 120.350 120.500 -0.240 0.000 2.583 36 R HA 0.210 4.550 4.340 -0.000 0.000 0.268 36 R C 0.179 176.440 176.300 -0.065 0.000 1.101 36 R CA 0.179 56.217 56.100 -0.105 0.000 1.180 36 R CB 0.154 30.432 30.300 -0.037 0.000 1.128 36 R HN 0.482 nan 8.270 nan 0.000 0.568 37 D N 0.575 120.956 120.400 -0.031 0.000 2.323 37 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 37 D C -0.049 176.252 176.300 0.002 0.000 1.129 37 D CA 0.130 54.122 54.000 -0.014 0.000 0.865 37 D CB -0.018 40.779 40.800 -0.004 0.000 0.913 37 D HN 0.443 nan 8.370 nan 0.000 0.517 38 R N -1.188 119.314 120.500 0.004 0.000 2.764 38 R HA 0.580 4.920 4.340 -0.000 0.000 0.270 38 R C -0.613 175.707 176.300 0.034 0.000 1.014 38 R CA -1.074 55.047 56.100 0.036 0.000 0.904 38 R CB 1.268 31.612 30.300 0.072 0.000 1.236 38 R HN -0.102 nan 8.270 nan 0.000 0.466 39 V N -1.626 118.317 119.914 0.048 0.000 3.336 39 V HA 0.850 4.970 4.120 -0.000 0.000 0.314 39 V C 0.962 177.110 176.094 0.091 0.000 1.088 39 V CA 0.365 62.693 62.300 0.046 0.000 1.033 39 V CB 0.760 32.595 31.823 0.020 0.000 1.181 39 V HN 1.191 nan 8.190 nan 0.000 0.449 40 G N -1.103 107.748 108.800 0.085 0.000 2.284 40 G HA2 0.119 4.079 3.960 -0.000 0.000 0.216 40 G HA3 0.119 4.079 3.960 -0.000 0.000 0.216 40 G C 1.691 176.679 174.900 0.146 0.000 1.009 40 G CA 0.792 45.964 45.100 0.119 0.000 0.625 40 G HN 2.687 nan 8.290 nan 0.000 0.501 41 G N 0.467 109.364 108.800 0.163 0.000 2.602 41 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.310 41 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.310 41 G C 0.907 175.965 174.900 0.263 0.000 1.183 41 G CA 1.428 46.640 45.100 0.186 0.000 0.979 41 G HN 1.221 nan 8.290 nan 0.000 0.545 42 R N 1.755 122.316 120.500 0.102 0.000 2.313 42 R HA 0.240 4.580 4.340 -0.000 0.000 0.199 42 R C 1.177 177.368 176.300 -0.182 0.000 0.958 42 R CA 0.996 56.972 56.100 -0.207 0.000 1.047 42 R CB -0.098 30.044 30.300 -0.263 0.000 0.955 42 R HN 0.722 nan 8.270 nan 0.000 0.481 43 T N -2.295 112.305 114.554 0.076 0.000 2.907 43 T HA 0.345 4.695 4.350 -0.000 0.000 0.284 43 T C -0.876 174.059 174.700 0.390 0.000 1.004 43 T CA -0.568 61.634 62.100 0.170 0.000 1.063 43 T CB 1.545 70.478 68.868 0.108 0.000 0.992 43 T HN 0.116 nan 8.240 nan 0.000 0.483 44 Y N 0.899 121.348 120.300 0.247 0.000 2.299 44 Y HA 0.410 4.960 4.550 -0.000 0.000 0.318 44 Y C -1.290 174.722 175.900 0.187 0.000 1.205 44 Y CA -0.800 57.444 58.100 0.241 0.000 1.106 44 Y CB 1.420 40.086 38.460 0.343 0.000 1.246 44 Y HN 0.906 nan 8.280 nan 0.000 0.415 45 T N 7.690 122.071 114.554 -0.288 0.000 2.772 45 T HA 0.459 4.809 4.350 -0.000 0.000 0.288 45 T C -1.039 173.356 174.700 -0.508 0.000 0.994 45 T CA -0.423 61.513 62.100 -0.272 0.000 0.951 45 T CB 0.778 69.594 68.868 -0.087 0.000 0.933 45 T HN 0.560 nan 8.240 nan 0.000 0.447 46 L N 4.269 125.214 121.223 -0.463 0.000 2.312 46 L HA 0.697 5.037 4.340 -0.000 0.000 0.281 46 L C -0.394 176.406 176.870 -0.116 0.000 1.070 46 L CA -0.249 54.395 54.840 -0.327 0.000 0.805 46 L CB 0.661 42.591 42.059 -0.215 0.000 1.174 46 L HN 0.424 nan 8.230 nan 0.000 0.434 47 R N 3.383 123.838 120.500 -0.075 0.000 2.494 47 R HA 0.666 5.006 4.340 -0.000 0.000 0.305 47 R C -1.060 175.212 176.300 -0.047 0.000 0.959 47 R CA -0.605 55.472 56.100 -0.039 0.000 0.864 47 R CB 1.350 31.640 30.300 -0.018 0.000 1.159 47 R HN 0.897 nan 8.270 nan 0.000 0.446 48 N N -1.427 117.226 118.700 -0.078 0.000 3.020 48 N HA 0.042 4.782 4.740 -0.000 0.000 0.248 48 N C -0.152 175.289 175.510 -0.115 0.000 1.480 48 N CA -0.984 52.017 53.050 -0.082 0.000 0.874 48 N CB 0.720 39.162 38.487 -0.075 0.000 1.433 48 N HN 0.424 nan 8.380 nan 0.000 0.530 49 Q N -0.464 119.280 119.800 -0.093 0.000 2.167 49 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 49 Q C 0.528 176.480 176.000 -0.081 0.000 0.970 49 Q CA 1.147 56.912 55.803 -0.063 0.000 0.855 49 Q CB 0.068 28.781 28.738 -0.041 0.000 0.911 49 Q HN 0.483 nan 8.270 nan 0.000 0.438 50 K N 0.036 120.291 120.400 -0.241 0.000 2.155 50 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 50 K C 1.975 178.366 176.600 -0.349 0.000 1.052 50 K CA 1.348 57.399 56.287 -0.393 0.000 0.948 50 K CB 0.228 32.139 32.500 -0.980 0.000 0.728 50 K HN 0.345 nan 8.250 nan 0.000 0.448 51 V N -2.877 116.784 119.914 -0.422 0.000 3.645 51 V HA 0.220 4.340 4.120 -0.000 0.000 0.275 51 V C 1.397 177.072 176.094 -0.698 0.000 1.356 51 V CA 0.611 62.607 62.300 -0.506 0.000 1.051 51 V CB 0.190 31.752 31.823 -0.435 0.000 0.828 51 V HN 0.259 nan 8.190 nan 0.000 0.441 52 K N 0.581 120.645 120.400 -0.560 0.000 11.134 52 K HA -0.303 4.017 4.320 -0.000 0.000 0.527 52 K C 0.133 176.616 176.600 -0.195 0.000 0.391 52 K CA 2.457 58.468 56.287 -0.459 0.000 1.928 52 K CB -1.498 30.541 32.500 -0.767 0.000 0.781 52 K HN 0.936 nan 8.250 nan 0.000 1.243 53 Y N -1.540 118.605 120.300 -0.257 0.000 2.562 53 Y HA 0.753 5.303 4.550 -0.000 0.000 0.345 53 Y C -1.121 174.732 175.900 -0.078 0.000 1.045 53 Y CA -0.765 57.248 58.100 -0.144 0.000 1.028 53 Y CB 2.138 40.534 38.460 -0.107 0.000 1.297 53 Y HN 0.030 nan 8.280 nan 0.000 0.463 54 V N 2.344 122.308 119.914 0.083 0.000 2.777 54 V HA 0.365 4.485 4.120 -0.000 0.000 0.306 54 V C -1.580 174.573 176.094 0.098 0.000 1.112 54 V CA -0.648 61.709 62.300 0.095 0.000 0.917 54 V CB 1.965 33.867 31.823 0.133 0.000 1.018 54 V HN 0.931 nan 8.190 nan 0.000 0.426 55 D N 5.458 125.930 120.400 0.120 0.000 2.343 55 D HA 0.303 4.943 4.640 -0.000 0.000 0.255 55 D C 0.776 177.162 176.300 0.144 0.000 1.187 55 D CA 0.245 54.305 54.000 0.099 0.000 0.875 55 D CB 1.911 42.743 40.800 0.054 0.000 1.136 55 D HN 0.520 nan 8.370 nan 0.000 0.469 56 L N 1.516 122.875 121.223 0.227 0.000 2.590 56 L HA 0.225 4.565 4.340 -0.000 0.000 0.227 56 L C 1.502 178.771 176.870 0.666 0.000 1.099 56 L CA 0.034 55.107 54.840 0.388 0.000 0.872 56 L CB 0.412 42.714 42.059 0.405 0.000 1.088 56 L HN 0.329 nan 8.230 nan 0.000 0.479 57 G N -0.767 108.362 108.800 0.548 0.000 3.039 57 G HA2 0.452 4.412 3.960 -0.000 0.000 0.159 57 G HA3 0.452 4.412 3.960 -0.000 0.000 0.159 57 G C -0.184 174.760 174.900 0.074 0.000 1.284 57 G CA -0.108 45.159 45.100 0.278 0.000 0.996 57 G HN 0.076 nan 8.290 nan 0.000 0.592 58 G N -0.866 107.894 108.800 -0.067 0.000 2.414 58 G HA2 0.394 4.354 3.960 -0.000 0.000 0.236 58 G HA3 0.394 4.354 3.960 -0.000 0.000 0.236 58 G C 0.853 175.722 174.900 -0.050 0.000 1.293 58 G CA 0.973 46.030 45.100 -0.071 0.000 0.869 58 G HN 1.358 nan 8.290 nan 0.000 0.556 59 S N 0.525 116.131 115.700 -0.156 0.000 2.917 59 S HA 0.157 4.627 4.470 -0.000 0.000 0.269 59 S C 0.155 174.489 174.600 -0.444 0.000 1.072 59 S CA -0.343 57.667 58.200 -0.318 0.000 0.967 59 S CB 0.134 63.010 63.200 -0.540 0.000 0.906 59 S HN 0.461 nan 8.310 nan 0.000 0.463 60 Y N 3.304 123.555 120.300 -0.081 0.000 2.299 60 Y HA 0.617 5.167 4.550 -0.000 0.000 0.326 60 Y C 0.392 176.158 175.900 -0.223 0.000 1.164 60 Y CA -0.493 57.512 58.100 -0.159 0.000 1.234 60 Y CB 1.443 39.850 38.460 -0.088 0.000 1.219 60 Y HN 0.288 nan 8.280 nan 0.000 0.497 61 V N -0.171 119.621 119.914 -0.205 0.000 3.102 61 V HA 1.101 5.221 4.120 -0.000 0.000 0.312 61 V C -0.342 175.566 176.094 -0.310 0.000 1.135 61 V CA -0.550 61.557 62.300 -0.321 0.000 1.022 61 V CB 1.702 33.263 31.823 -0.437 0.000 1.056 61 V HN 0.926 nan 8.190 nan 0.000 0.436 62 G N 0.536 109.108 108.800 -0.379 0.000 2.600 62 G HA2 0.740 4.700 3.960 -0.000 0.000 0.293 62 G HA3 0.740 4.700 3.960 -0.000 0.000 0.293 62 G C -3.444 171.290 174.900 -0.277 0.000 1.408 62 G CA -1.178 43.748 45.100 -0.290 0.000 0.782 62 G HN 0.719 nan 8.290 nan 0.000 0.482 63 P HA 0.158 nan 4.420 nan 0.000 0.267 63 P C 0.750 178.028 177.300 -0.037 0.000 1.200 63 P CA 1.812 64.864 63.100 -0.081 0.000 0.772 63 P CB 0.976 32.659 31.700 -0.029 0.000 0.855 64 T N -1.826 112.737 114.554 0.015 0.000 6.412 64 T HA -0.251 4.099 4.350 -0.000 0.000 0.279 64 T C 0.199 174.921 174.700 0.037 0.000 2.177 64 T CA 1.038 63.221 62.100 0.139 0.000 3.599 64 T CB -2.750 66.323 68.868 0.342 0.000 1.259 64 T HN 0.594 nan 8.240 nan 0.000 1.146 65 Q N 1.270 120.920 119.800 -0.249 0.000 3.091 65 Q HA 0.389 4.729 4.340 -0.000 0.000 0.301 65 Q C 0.954 176.856 176.000 -0.163 0.000 1.337 65 Q CA -0.493 55.065 55.803 -0.408 0.000 1.083 65 Q CB 0.254 28.562 28.738 -0.718 0.000 1.477 65 Q HN 0.494 nan 8.270 nan 0.000 0.537 66 N N 0.878 119.553 118.700 -0.042 0.000 2.331 66 N HA -0.071 4.669 4.740 -0.000 0.000 0.180 66 N C 1.244 176.762 175.510 0.012 0.000 1.019 66 N CA 0.813 53.862 53.050 -0.000 0.000 0.881 66 N CB 0.262 38.772 38.487 0.037 0.000 0.972 66 N HN 0.387 nan 8.380 nan 0.000 0.435 67 R N 0.610 121.122 120.500 0.021 0.000 2.062 67 R HA -0.012 4.327 4.340 -0.000 0.000 0.231 67 R C 2.105 178.418 176.300 0.023 0.000 1.136 67 R CA 0.799 56.918 56.100 0.031 0.000 0.948 67 R CB -0.413 29.918 30.300 0.051 0.000 0.845 67 R HN 0.099 nan 8.270 nan 0.000 0.430 68 I N 1.282 121.860 120.570 0.014 0.000 2.286 68 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 68 I C 1.874 178.052 176.117 0.102 0.000 1.115 68 I CA 1.413 62.743 61.300 0.049 0.000 1.392 68 I CB -0.080 37.956 38.000 0.060 0.000 1.065 68 I HN 0.098 nan 8.210 nan 0.000 0.418 69 L N 0.197 121.465 121.223 0.075 0.000 2.046 69 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 69 L C 2.766 179.677 176.870 0.070 0.000 1.077 69 L CA 1.407 56.308 54.840 0.101 0.000 0.747 69 L CB -0.889 41.184 42.059 0.024 0.000 0.896 69 L HN 0.267 nan 8.230 nan 0.000 0.432 70 R N 0.789 121.311 120.500 0.037 0.000 2.073 70 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 70 R C 2.310 178.615 176.300 0.010 0.000 1.134 70 R CA 1.812 57.926 56.100 0.023 0.000 0.952 70 R CB -0.682 29.630 30.300 0.020 0.000 0.850 70 R HN 0.260 nan 8.270 nan 0.000 0.433 71 L N 1.114 122.338 121.223 0.002 0.000 2.017 71 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 71 L C 2.456 179.289 176.870 -0.061 0.000 1.073 71 L CA 2.354 57.179 54.840 -0.024 0.000 0.745 71 L CB -0.870 41.174 42.059 -0.026 0.000 0.894 71 L HN 0.244 nan 8.230 nan 0.000 0.432 72 A N -0.570 122.200 122.820 -0.084 0.000 1.908 72 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 72 A C 2.473 180.000 177.584 -0.095 0.000 1.181 72 A CA 2.077 53.997 52.037 -0.195 0.000 0.627 72 A CB -0.690 18.101 19.000 -0.349 0.000 0.818 72 A HN 0.525 nan 8.150 nan 0.000 0.445 73 K N -0.300 120.095 120.400 -0.010 0.000 2.032 73 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 73 K C 2.100 178.691 176.600 -0.016 0.000 1.048 73 K CA 1.748 58.038 56.287 0.005 0.000 0.927 73 K CB -0.201 32.315 32.500 0.026 0.000 0.712 73 K HN 0.640 nan 8.250 nan 0.000 0.441 74 E N 0.548 120.736 120.200 -0.020 0.000 2.118 74 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 74 E C 1.678 178.257 176.600 -0.035 0.000 0.992 74 E CA 1.103 57.491 56.400 -0.021 0.000 0.804 74 E CB -0.036 29.654 29.700 -0.016 0.000 0.741 74 E HN 0.364 nan 8.360 nan 0.000 0.458 75 L N -0.708 120.480 121.223 -0.059 0.000 2.610 75 L HA 0.161 4.501 4.340 -0.000 0.000 0.232 75 L C 1.430 178.256 176.870 -0.073 0.000 1.149 75 L CA 0.479 55.274 54.840 -0.075 0.000 0.872 75 L CB 0.156 42.149 42.059 -0.111 0.000 0.992 75 L HN 0.419 nan 8.230 nan 0.000 0.447 76 G N -0.002 108.763 108.800 -0.057 0.000 2.144 76 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 76 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 76 G C 0.077 174.950 174.900 -0.045 0.000 0.988 76 G CA -0.407 44.668 45.100 -0.042 0.000 0.659 76 G HN 0.182 nan 8.290 nan 0.000 0.522 77 L N 0.211 121.395 121.223 -0.065 0.000 2.399 77 L HA 0.764 5.104 4.340 -0.000 0.000 0.265 77 L C 0.274 177.182 176.870 0.063 0.000 1.089 77 L CA -0.858 53.953 54.840 -0.048 0.000 0.802 77 L CB 0.941 42.873 42.059 -0.211 0.000 1.180 77 L HN 0.028 nan 8.230 nan 0.000 0.454 78 E N 0.311 120.591 120.200 0.134 0.000 2.336 78 E HA 0.465 4.815 4.350 -0.000 0.000 0.267 78 E C -0.815 175.930 176.600 0.241 0.000 0.906 78 E CA -0.531 55.965 56.400 0.159 0.000 0.781 78 E CB 2.359 32.123 29.700 0.107 0.000 1.261 78 E HN 0.664 nan 8.360 nan 0.000 0.436 79 T N -1.603 113.038 114.554 0.145 0.000 2.948 79 T HA 0.730 5.080 4.350 -0.000 0.000 0.285 79 T C -0.433 174.332 174.700 0.108 0.000 1.019 79 T CA -0.691 61.423 62.100 0.024 0.000 1.013 79 T CB 0.828 69.587 68.868 -0.181 0.000 1.117 79 T HN 0.490 nan 8.240 nan 0.000 0.533 80 Y N -1.561 118.727 120.300 -0.021 0.000 2.609 80 Y HA 0.756 5.306 4.550 0.000 0.000 0.342 80 Y C -0.860 175.035 175.900 -0.007 0.000 1.058 80 Y CA -1.564 56.539 58.100 0.005 0.000 1.055 80 Y CB 1.357 39.841 38.460 0.041 0.000 1.292 80 Y HN 0.628 nan 8.280 nan 0.000 0.476 81 K N 2.130 122.594 120.400 0.106 0.000 2.234 81 K HA 0.471 4.791 4.320 -0.000 0.000 0.282 81 K C -0.858 175.786 176.600 0.074 0.000 1.039 81 K CA -0.827 55.463 56.287 0.005 0.000 0.928 81 K CB 1.694 34.218 32.500 0.040 0.000 1.039 81 K HN 0.575 nan 8.250 nan 0.000 0.470 82 V N 3.222 123.121 119.914 -0.025 0.000 2.673 82 V HA -0.107 4.013 4.120 -0.000 0.000 0.303 82 V C 0.552 176.696 176.094 0.083 0.000 1.046 82 V CA -0.163 62.175 62.300 0.064 0.000 1.126 82 V CB 0.310 32.151 31.823 0.031 0.000 0.934 82 V HN 0.734 nan 8.190 nan 0.000 0.487 83 N N 3.884 122.658 118.700 0.123 0.000 2.434 83 N HA -0.004 4.736 4.740 -0.000 0.000 0.268 83 N C 0.258 175.791 175.510 0.038 0.000 1.256 83 N CA 0.575 53.681 53.050 0.093 0.000 0.914 83 N CB 0.246 38.811 38.487 0.130 0.000 1.088 83 N HN 0.818 nan 8.380 nan 0.000 0.478 84 E N 2.937 123.148 120.200 0.019 0.000 3.191 84 E HA 0.118 4.468 4.350 -0.000 0.000 0.192 84 E C 0.314 176.909 176.600 -0.007 0.000 0.972 84 E CA -0.078 56.314 56.400 -0.014 0.000 1.266 84 E CB 0.270 29.947 29.700 -0.038 0.000 1.076 84 E HN 0.444 nan 8.360 nan 0.000 0.462 85 V N 0.494 120.416 119.914 0.013 0.000 2.323 85 V HA -0.145 3.975 4.120 -0.000 0.000 0.244 85 V C 0.929 177.026 176.094 0.006 0.000 1.041 85 V CA 1.559 63.864 62.300 0.009 0.000 1.025 85 V CB -0.089 31.742 31.823 0.013 0.000 0.656 85 V HN 0.253 nan 8.190 nan 0.000 0.451 86 E N -0.610 119.601 120.200 0.019 0.000 3.099 86 E HA 0.405 4.755 4.350 -0.000 0.000 0.259 86 E C 0.187 176.797 176.600 0.017 0.000 1.274 86 E CA -0.635 55.782 56.400 0.027 0.000 1.111 86 E CB 0.238 29.970 29.700 0.053 0.000 1.327 86 E HN 0.313 nan 8.360 nan 0.000 0.652 87 R N 0.120 120.655 120.500 0.059 0.000 2.490 87 R HA 0.330 4.670 4.340 -0.000 0.000 0.278 87 R C -0.463 175.805 176.300 -0.052 0.000 1.069 87 R CA -0.635 55.475 56.100 0.017 0.000 1.080 87 R CB 0.144 30.515 30.300 0.119 0.000 1.030 87 R HN 0.171 nan 8.270 nan 0.000 0.491 88 L N 2.245 123.278 121.223 -0.318 0.000 2.456 88 L HA 0.352 4.692 4.340 -0.000 0.000 0.257 88 L C 0.165 176.878 176.870 -0.262 0.000 1.162 88 L CA 0.242 54.804 54.840 -0.462 0.000 0.808 88 L CB 0.456 41.904 42.059 -1.018 0.000 1.136 88 L HN 0.456 nan 8.230 nan 0.000 0.466 89 I N 0.332 120.875 120.570 -0.045 0.000 2.465 89 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 89 I C -0.562 175.871 176.117 0.528 0.000 1.014 89 I CA -0.484 60.937 61.300 0.201 0.000 1.093 89 I CB 1.541 39.496 38.000 -0.074 0.000 1.267 89 I HN 0.539 nan 8.210 nan 0.000 0.431 90 H N 5.302 124.683 119.070 0.518 0.000 2.504 90 H HA 0.332 4.888 4.556 -0.000 0.000 0.322 90 H C -1.341 174.214 175.328 0.377 0.000 1.055 90 H CA -0.732 55.543 56.048 0.378 0.000 1.231 90 H CB 0.967 30.835 29.762 0.177 0.000 1.417 90 H HN 0.622 nan 8.280 nan 0.000 0.472 91 H N 4.716 123.905 119.070 0.197 0.000 2.541 91 H HA 0.397 4.953 4.556 -0.000 0.000 0.316 91 H C -1.421 173.907 175.328 0.000 0.000 1.043 91 H CA -0.448 55.655 56.048 0.092 0.000 1.232 91 H CB 0.589 30.406 29.762 0.091 0.000 1.406 91 H HN 0.283 nan 8.280 nan 0.000 0.469 92 V N 5.951 125.738 119.914 -0.212 0.000 2.686 92 V HA 0.194 4.314 4.120 -0.000 0.000 0.306 92 V C -0.413 175.629 176.094 -0.087 0.000 1.065 92 V CA -1.307 60.903 62.300 -0.150 0.000 0.894 92 V CB 1.832 33.509 31.823 -0.243 0.000 1.004 92 V HN 0.895 nan 8.190 nan 0.000 0.424 93 K N 3.265 123.646 120.400 -0.032 0.000 3.311 93 K HA -0.241 4.079 4.320 -0.000 0.000 0.270 93 K C 1.078 177.649 176.600 -0.049 0.000 0.927 93 K CA 0.950 57.234 56.287 -0.006 0.000 0.706 93 K CB -1.559 30.952 32.500 0.019 0.000 1.418 93 K HN 1.852 nan 8.250 nan 0.000 0.459 94 G N -0.254 108.489 108.800 -0.095 0.000 2.153 94 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.252 94 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.252 94 G C -0.022 174.703 174.900 -0.291 0.000 0.994 94 G CA 1.137 46.195 45.100 -0.070 0.000 0.698 94 G HN 0.548 nan 8.290 nan 0.000 0.521 95 K N -0.151 119.871 120.400 -0.631 0.000 2.469 95 K HA 0.615 4.935 4.320 -0.000 0.000 0.254 95 K C -0.455 175.759 176.600 -0.643 0.000 0.939 95 K CA -0.533 55.440 56.287 -0.522 0.000 0.812 95 K CB 1.363 33.640 32.500 -0.373 0.000 1.301 95 K HN 0.045 nan 8.250 nan 0.000 0.433 96 S N 2.331 117.832 115.700 -0.331 0.000 2.499 96 S HA 0.358 4.828 4.470 -0.000 0.000 0.279 96 S C -1.345 173.071 174.600 -0.305 0.000 1.219 96 S CA -0.361 57.775 58.200 -0.107 0.000 1.062 96 S CB 0.208 63.447 63.200 0.065 0.000 0.978 96 S HN 0.395 nan 8.310 nan 0.000 0.489 97 Y N 2.756 123.132 120.300 0.127 0.000 2.376 97 Y HA 0.371 4.921 4.550 -0.000 0.000 0.326 97 Y C -2.491 173.601 175.900 0.320 0.000 0.970 97 Y CA -2.333 55.884 58.100 0.195 0.000 1.248 97 Y CB 1.032 39.596 38.460 0.173 0.000 1.117 97 Y HN 0.460 nan 8.280 nan 0.000 0.476 98 P HA 0.334 nan 4.420 nan 0.000 0.278 98 P C -0.993 176.600 177.300 0.487 0.000 1.238 98 P CA -0.218 63.116 63.100 0.390 0.000 0.794 98 P CB 0.738 32.654 31.700 0.359 0.000 0.955 99 F N -0.856 119.216 119.950 0.203 0.000 2.741 99 F HA 0.691 5.218 4.527 0.000 0.000 0.313 99 F C -1.309 174.566 175.800 0.126 0.000 1.153 99 F CA -1.250 56.857 58.000 0.177 0.000 0.931 99 F CB 1.491 40.602 39.000 0.184 0.000 1.335 99 F HN 0.017 nan 8.300 nan 0.000 0.460 100 R N 1.016 121.601 120.500 0.143 0.000 2.807 100 R HA 0.791 5.131 4.340 -0.000 0.000 0.276 100 R C -0.508 175.909 176.300 0.195 0.000 0.979 100 R CA -0.768 55.329 56.100 -0.006 0.000 0.928 100 R CB 1.872 32.188 30.300 0.025 0.000 1.191 100 R HN 1.464 nan 8.270 nan 0.000 0.471 101 G N 1.589 110.443 108.800 0.090 0.000 2.479 101 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 101 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 101 G C -2.372 172.575 174.900 0.079 0.000 1.295 101 G CA -1.101 44.065 45.100 0.109 0.000 0.922 101 G HN 0.403 nan 8.290 nan 0.000 0.582 102 P HA 0.173 nan 4.420 nan 0.000 0.217 102 P C 0.345 177.190 177.300 -0.759 0.000 1.150 102 P CA 1.208 64.050 63.100 -0.430 0.000 0.832 102 P CB 0.047 31.461 31.700 -0.476 0.000 0.787 103 F N -1.436 118.482 119.950 -0.054 0.000 2.551 103 F HA 0.426 4.953 4.527 0.000 0.000 0.316 103 F C -2.281 173.327 175.800 -0.321 0.000 1.089 103 F CA -3.076 54.800 58.000 -0.206 0.000 0.915 103 F CB 0.832 39.638 39.000 -0.323 0.000 1.186 103 F HN -0.340 nan 8.300 nan 0.000 0.456 104 P HA 0.141 nan 4.420 nan 0.000 0.268 104 P C -2.514 174.571 177.300 -0.358 0.000 1.205 104 P CA -0.902 61.589 63.100 -1.016 0.000 0.771 104 P CB -0.234 30.885 31.700 -0.969 0.000 0.858 105 P HA 0.083 nan 4.420 nan 0.000 0.269 105 P C -0.776 176.324 177.300 -0.332 0.000 1.215 105 P CA 0.212 63.164 63.100 -0.246 0.000 0.780 105 P CB 0.455 32.049 31.700 -0.177 0.000 0.898 106 V N 2.072 121.709 119.914 -0.461 0.000 2.588 106 V HA 0.242 4.362 4.120 -0.000 0.000 0.304 106 V C 0.128 175.979 176.094 -0.405 0.000 1.042 106 V CA -0.213 61.860 62.300 -0.378 0.000 0.877 106 V CB 1.768 33.320 31.823 -0.452 0.000 0.996 106 V HN 0.671 nan 8.190 nan 0.000 0.425 107 W N 0.831 122.124 121.300 -0.012 0.000 2.699 107 W HA 0.206 4.866 4.660 -0.000 0.000 0.267 107 W C 1.358 177.883 176.519 0.009 0.000 1.182 107 W CA -0.113 57.236 57.345 0.006 0.000 1.453 107 W CB 0.148 29.603 29.460 -0.008 0.000 1.054 107 W HN 0.510 nan 8.180 nan 0.000 0.595 108 N N 3.436 122.251 118.700 0.192 0.000 2.359 108 N HA -0.071 4.669 4.740 -0.000 0.000 0.261 108 N C -1.292 174.284 175.510 0.110 0.000 1.267 108 N CA -0.164 52.960 53.050 0.123 0.000 0.864 108 N CB 1.325 39.865 38.487 0.088 0.000 1.063 108 N HN -0.080 nan 8.380 nan 0.000 0.474 109 P HA -0.134 nan 4.420 nan 0.000 0.217 109 P C 1.519 178.881 177.300 0.103 0.000 1.150 109 P CA 0.800 63.944 63.100 0.072 0.000 0.832 109 P CB 0.358 32.078 31.700 0.033 0.000 0.787 110 I N 0.365 120.982 120.570 0.078 0.000 2.233 110 I HA -0.124 4.046 4.170 -0.000 0.000 0.243 110 I C 2.332 178.501 176.117 0.087 0.000 1.093 110 I CA 1.495 62.834 61.300 0.065 0.000 1.380 110 I CB -2.286 35.745 38.000 0.052 0.000 1.067 110 I HN -0.010 nan 8.210 nan 0.000 0.413 111 T N 0.482 115.094 114.554 0.097 0.000 2.720 111 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 111 T C 1.909 176.666 174.700 0.095 0.000 1.037 111 T CA 1.658 63.826 62.100 0.113 0.000 1.144 111 T CB -0.705 68.203 68.868 0.067 0.000 0.864 111 T HN 0.289 nan 8.240 nan 0.000 0.444 112 Y N 2.006 122.276 120.300 -0.051 0.000 2.081 112 Y HA -0.163 4.387 4.550 -0.000 0.000 0.280 112 Y C 2.088 177.975 175.900 -0.021 0.000 1.163 112 Y CA 1.228 59.279 58.100 -0.082 0.000 1.135 112 Y CB -0.594 37.803 38.460 -0.105 0.000 0.970 112 Y HN 0.114 nan 8.280 nan 0.000 0.498 113 L N -0.219 121.110 121.223 0.178 0.000 2.042 113 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 113 L C 2.222 179.069 176.870 -0.039 0.000 1.076 113 L CA 1.881 56.759 54.840 0.064 0.000 0.749 113 L CB -0.715 41.374 42.059 0.050 0.000 0.893 113 L HN 0.243 nan 8.230 nan 0.000 0.432 114 D N -0.974 119.425 120.400 -0.002 0.000 2.117 114 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 114 D C 2.183 178.436 176.300 -0.078 0.000 0.987 114 D CA 1.248 55.242 54.000 -0.011 0.000 0.829 114 D CB 0.066 40.896 40.800 0.051 0.000 0.961 114 D HN 0.316 nan 8.370 nan 0.000 0.460 115 H N -0.354 118.585 119.070 -0.217 0.000 2.326 115 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 115 H C 2.158 177.297 175.328 -0.315 0.000 1.081 115 H CA 1.132 57.006 56.048 -0.291 0.000 1.334 115 H CB -0.180 29.449 29.762 -0.223 0.000 1.385 115 H HN 0.272 nan 8.280 nan 0.000 0.504 116 N N 1.224 119.792 118.700 -0.219 0.000 2.061 116 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 116 N C 1.797 177.204 175.510 -0.172 0.000 1.030 116 N CA 0.993 53.906 53.050 -0.228 0.000 0.856 116 N CB -0.249 38.036 38.487 -0.336 0.000 1.023 116 N HN 0.409 nan 8.380 nan 0.000 0.424 117 N N -0.254 118.349 118.700 -0.162 0.000 2.223 117 N HA -0.177 4.563 4.740 -0.000 0.000 0.185 117 N C 1.852 177.231 175.510 -0.219 0.000 1.016 117 N CA 0.641 53.598 53.050 -0.155 0.000 0.863 117 N CB -0.235 38.185 38.487 -0.110 0.000 0.983 117 N HN 0.242 nan 8.380 nan 0.000 0.429 118 F N 0.650 120.337 119.950 -0.439 0.000 2.075 118 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 118 F C 1.729 177.158 175.800 -0.617 0.000 1.113 118 F CA 1.610 59.245 58.000 -0.608 0.000 1.218 118 F CB -0.781 37.675 39.000 -0.906 0.000 0.984 118 F HN 0.065 nan 8.300 nan 0.000 0.472 119 W N 0.544 121.560 121.300 -0.472 0.000 2.358 119 W HA -0.103 4.557 4.660 0.000 0.000 0.303 119 W C 2.769 179.004 176.519 -0.474 0.000 1.208 119 W CA 1.242 58.227 57.345 -0.600 0.000 1.274 119 W CB -0.638 28.428 29.460 -0.657 0.000 1.138 119 W HN -0.071 nan 8.180 nan 0.000 0.515 120 R N 0.209 120.604 120.500 -0.174 0.000 2.096 120 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 120 R C 1.867 178.037 176.300 -0.217 0.000 1.127 120 R CA 2.066 58.065 56.100 -0.167 0.000 0.968 120 R CB -0.598 29.609 30.300 -0.155 0.000 0.861 120 R HN 0.035 nan 8.270 nan 0.000 0.440 121 T N 1.246 115.621 114.554 -0.297 0.000 2.821 121 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 121 T C 1.836 176.326 174.700 -0.349 0.000 1.046 121 T CA 1.272 63.196 62.100 -0.294 0.000 1.139 121 T CB -0.020 68.674 68.868 -0.290 0.000 0.871 121 T HN 0.187 nan 8.240 nan 0.000 0.454 122 M N 1.548 120.855 119.600 -0.488 0.000 2.108 122 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 122 M C 1.768 177.925 176.300 -0.239 0.000 1.066 122 M CA 1.500 56.565 55.300 -0.393 0.000 1.107 122 M CB -0.953 31.403 32.600 -0.407 0.000 1.356 122 M HN 0.186 nan 8.290 nan 0.000 0.406 123 D N 0.584 120.867 120.400 -0.194 0.000 2.149 123 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 123 D C 1.590 177.817 176.300 -0.120 0.000 0.972 123 D CA 1.040 54.957 54.000 -0.139 0.000 0.835 123 D CB -0.319 40.415 40.800 -0.110 0.000 0.966 123 D HN 0.294 nan 8.370 nan 0.000 0.476 124 D N 0.399 120.724 120.400 -0.125 0.000 2.123 124 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 124 D C 2.203 178.482 176.300 -0.035 0.000 0.992 124 D CA 0.753 54.705 54.000 -0.080 0.000 0.833 124 D CB -0.246 40.506 40.800 -0.081 0.000 0.954 124 D HN 0.247 nan 8.370 nan 0.000 0.455 125 M N 0.230 119.778 119.600 -0.088 0.000 2.117 125 M HA -0.056 4.424 4.480 -0.000 0.000 0.262 125 M C 2.350 178.685 176.300 0.058 0.000 1.065 125 M CA 1.669 56.938 55.300 -0.052 0.000 1.114 125 M CB -0.481 31.825 32.600 -0.490 0.000 1.361 125 M HN 0.031 nan 8.290 nan 0.000 0.408 126 G N 0.158 108.929 108.800 -0.048 0.000 2.450 126 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 126 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 126 G C 1.607 176.503 174.900 -0.008 0.000 1.130 126 G CA 0.618 45.698 45.100 -0.032 0.000 0.760 126 G HN 0.408 nan 8.290 nan 0.000 0.557 127 R N 0.136 120.627 120.500 -0.015 0.000 2.241 127 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 127 R C 1.459 177.760 176.300 0.001 0.000 1.101 127 R CA 0.828 56.913 56.100 -0.025 0.000 0.995 127 R CB 0.080 30.360 30.300 -0.033 0.000 0.870 127 R HN 0.287 nan 8.270 nan 0.000 0.463 128 E N 0.189 120.427 120.200 0.064 0.000 2.463 128 E HA 0.116 4.466 4.350 -0.000 0.000 0.193 128 E C -0.070 176.550 176.600 0.033 0.000 1.041 128 E CA 0.242 56.669 56.400 0.044 0.000 0.879 128 E CB 0.513 30.254 29.700 0.069 0.000 0.997 128 E HN 0.312 nan 8.360 nan 0.000 0.478 129 I N 2.672 123.278 120.570 0.060 0.000 2.359 129 I HA 0.222 4.392 4.170 -0.000 0.000 0.284 129 I C -2.443 173.669 176.117 -0.008 0.000 1.018 129 I CA -2.328 59.004 61.300 0.054 0.000 1.173 129 I CB 1.500 39.599 38.000 0.166 0.000 1.326 129 I HN -0.349 nan 8.210 nan 0.000 0.462 130 P HA 0.117 nan 4.420 nan 0.000 0.267 130 P C 0.544 177.798 177.300 -0.077 0.000 1.205 130 P CA 0.199 63.221 63.100 -0.130 0.000 0.765 130 P CB 0.951 32.521 31.700 -0.217 0.000 0.828 131 S N 2.089 117.762 115.700 -0.046 0.000 2.383 131 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 131 S C 1.252 175.924 174.600 0.121 0.000 1.030 131 S CA 1.810 60.054 58.200 0.074 0.000 1.002 131 S CB -0.591 62.564 63.200 -0.074 0.000 0.829 131 S HN 0.678 nan 8.310 nan 0.000 0.467 132 D N 0.316 120.651 120.400 -0.109 0.000 2.339 132 D HA 0.287 4.927 4.640 -0.000 0.000 0.217 132 D C 0.227 176.289 176.300 -0.397 0.000 1.050 132 D CA 0.314 54.205 54.000 -0.182 0.000 0.856 132 D CB 0.067 40.703 40.800 -0.274 0.000 0.922 132 D HN 0.260 nan 8.370 nan 0.000 0.518 133 A N 1.076 123.492 122.820 -0.673 0.000 3.208 133 A HA 0.320 4.640 4.320 -0.000 0.000 0.252 133 A C -2.217 174.548 177.584 -1.365 0.000 1.225 133 A CA -0.733 50.412 52.037 -1.487 0.000 0.980 133 A CB 0.712 19.175 19.000 -0.896 0.000 1.414 133 A HN -0.089 nan 8.150 nan 0.000 0.721 134 P HA -0.159 nan 4.420 nan 0.000 0.220 134 P C 1.241 178.321 177.300 -0.366 0.000 1.148 134 P CA 1.360 64.132 63.100 -0.547 0.000 0.803 134 P CB -0.346 31.013 31.700 -0.568 0.000 0.782 135 W N 0.938 122.157 121.300 -0.136 0.000 2.632 135 W HA 0.082 4.742 4.660 -0.000 0.000 0.248 135 W C 1.235 177.706 176.519 -0.081 0.000 1.259 135 W CA 0.407 57.695 57.345 -0.095 0.000 1.288 135 W CB -1.440 27.961 29.460 -0.098 0.000 1.136 135 W HN -0.094 nan 8.180 nan 0.000 0.640 136 K N 0.740 120.961 120.400 -0.298 0.000 2.374 136 K HA 0.342 4.662 4.320 -0.000 0.000 0.196 136 K C 0.968 177.474 176.600 -0.155 0.000 1.023 136 K CA 0.108 56.294 56.287 -0.169 0.000 1.103 136 K CB 0.070 32.437 32.500 -0.222 0.000 0.848 136 K HN 0.088 nan 8.250 nan 0.000 0.528 137 A N 2.420 125.145 122.820 -0.159 0.000 2.531 137 A HA 0.075 4.395 4.320 -0.000 0.000 0.236 137 A C -1.587 175.866 177.584 -0.219 0.000 1.062 137 A CA -0.950 50.986 52.037 -0.168 0.000 0.760 137 A CB 0.070 18.988 19.000 -0.137 0.000 0.995 137 A HN -0.008 nan 8.150 nan 0.000 0.501 138 P HA -0.104 nan 4.420 nan 0.000 0.216 138 P C 0.540 177.647 177.300 -0.321 0.000 1.150 138 P CA 1.203 64.163 63.100 -0.233 0.000 0.837 138 P CB 0.016 31.592 31.700 -0.207 0.000 0.786 139 L N -1.810 119.067 121.223 -0.577 0.000 2.912 139 L HA 0.346 4.686 4.340 -0.000 0.000 0.240 139 L C 1.906 178.411 176.870 -0.609 0.000 1.262 139 L CA -0.296 54.112 54.840 -0.719 0.000 1.058 139 L CB -0.648 40.684 42.059 -1.213 0.000 1.383 139 L HN -0.109 nan 8.230 nan 0.000 0.512 140 A N 0.621 123.250 122.820 -0.319 0.000 1.892 140 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 140 A C 2.214 179.795 177.584 -0.004 0.000 1.188 140 A CA 1.810 53.786 52.037 -0.101 0.000 0.631 140 A CB -0.169 18.819 19.000 -0.020 0.000 0.822 140 A HN 0.528 nan 8.150 nan 0.000 0.447 141 E N -0.997 119.185 120.200 -0.030 0.000 2.047 141 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 141 E C 2.131 178.764 176.600 0.055 0.000 0.987 141 E CA 1.078 57.493 56.400 0.025 0.000 0.799 141 E CB -0.202 29.502 29.700 0.005 0.000 0.752 141 E HN 0.830 nan 8.360 nan 0.000 0.449 142 E N 0.267 120.468 120.200 0.003 0.000 2.070 142 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 142 E C 1.699 178.457 176.600 0.263 0.000 1.004 142 E CA 1.377 57.825 56.400 0.079 0.000 0.805 142 E CB -0.024 29.680 29.700 0.007 0.000 0.744 142 E HN 0.283 nan 8.360 nan 0.000 0.451 143 W N 0.893 122.233 121.300 0.067 0.000 2.436 143 W HA -0.016 4.644 4.660 -0.000 0.000 0.284 143 W C 1.927 178.518 176.519 0.120 0.000 1.225 143 W CA 0.741 58.139 57.345 0.088 0.000 1.271 143 W CB -0.975 28.537 29.460 0.085 0.000 1.114 143 W HN 0.240 nan 8.180 nan 0.000 0.559 144 D N -0.329 120.268 120.400 0.329 0.000 2.277 144 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 144 D C 1.291 177.721 176.300 0.218 0.000 0.962 144 D CA 0.906 55.068 54.000 0.269 0.000 0.865 144 D CB -0.203 40.730 40.800 0.221 0.000 0.939 144 D HN -0.118 nan 8.370 nan 0.000 0.510 145 N N -0.165 118.646 118.700 0.186 0.000 2.383 145 N HA 0.095 4.835 4.740 -0.000 0.000 0.192 145 N C 0.064 175.657 175.510 0.138 0.000 1.141 145 N CA 0.152 53.288 53.050 0.143 0.000 0.851 145 N CB 0.038 38.591 38.487 0.110 0.000 0.976 145 N HN 0.466 nan 8.380 nan 0.000 0.465 146 M N -1.515 118.183 119.600 0.164 0.000 2.591 146 M HA 0.502 4.982 4.480 -0.000 0.000 0.306 146 M C -0.064 176.322 176.300 0.142 0.000 1.190 146 M CA -0.857 54.523 55.300 0.134 0.000 0.889 146 M CB 1.945 34.620 32.600 0.126 0.000 1.728 146 M HN -0.118 nan 8.290 nan 0.000 0.458 147 T N -0.844 113.777 114.554 0.111 0.000 2.847 147 T HA 0.302 4.652 4.350 -0.000 0.000 0.279 147 T C 1.067 175.814 174.700 0.079 0.000 0.984 147 T CA -0.863 61.303 62.100 0.109 0.000 0.988 147 T CB 0.855 69.778 68.868 0.092 0.000 1.040 147 T HN 0.782 nan 8.240 nan 0.000 0.528 148 M N 0.276 119.911 119.600 0.058 0.000 2.213 148 M HA -0.024 4.455 4.480 -0.000 0.000 0.263 148 M C 2.188 178.471 176.300 -0.028 0.000 1.062 148 M CA 1.554 56.852 55.300 -0.004 0.000 1.105 148 M CB -1.272 31.253 32.600 -0.124 0.000 1.385 148 M HN 0.864 nan 8.290 nan 0.000 0.417 149 K N 0.597 120.987 120.400 -0.016 0.000 2.026 149 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 149 K C 1.699 178.288 176.600 -0.018 0.000 1.048 149 K CA 1.604 57.882 56.287 -0.015 0.000 0.929 149 K CB 0.022 32.544 32.500 0.037 0.000 0.713 149 K HN 0.387 nan 8.250 nan 0.000 0.439 150 E N 0.638 120.841 120.200 0.005 0.000 2.058 150 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 150 E C 2.072 178.666 176.600 -0.011 0.000 0.997 150 E CA 1.285 57.685 56.400 -0.000 0.000 0.801 150 E CB -0.196 29.520 29.700 0.026 0.000 0.746 150 E HN 0.192 nan 8.360 nan 0.000 0.450 151 L N 1.209 122.431 121.223 -0.002 0.000 2.012 151 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 151 L C 2.113 178.976 176.870 -0.012 0.000 1.073 151 L CA 1.583 56.414 54.840 -0.014 0.000 0.748 151 L CB -0.347 41.694 42.059 -0.030 0.000 0.891 151 L HN 0.133 nan 8.230 nan 0.000 0.431 152 L N -0.940 120.270 121.223 -0.020 0.000 2.046 152 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 152 L C 2.231 179.035 176.870 -0.110 0.000 1.077 152 L CA 1.300 56.099 54.840 -0.067 0.000 0.747 152 L CB -0.980 40.990 42.059 -0.148 0.000 0.896 152 L HN 0.281 nan 8.230 nan 0.000 0.432 153 D N 0.145 120.485 120.400 -0.101 0.000 2.144 153 D HA -0.195 4.445 4.640 -0.000 0.000 0.199 153 D C 2.140 178.348 176.300 -0.152 0.000 0.984 153 D CA 1.120 55.043 54.000 -0.129 0.000 0.834 153 D CB -0.050 40.688 40.800 -0.103 0.000 0.955 153 D HN 0.219 nan 8.370 nan 0.000 0.465 154 K N 0.358 120.699 120.400 -0.098 0.000 2.062 154 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 154 K C 2.149 178.718 176.600 -0.051 0.000 1.051 154 K CA 0.552 56.789 56.287 -0.083 0.000 0.941 154 K CB -0.006 32.480 32.500 -0.024 0.000 0.719 154 K HN 0.147 nan 8.250 nan 0.000 0.440 155 L N 0.477 121.698 121.223 -0.005 0.000 2.162 155 L HA -0.000 4.340 4.340 -0.000 0.000 0.205 155 L C 0.833 177.781 176.870 0.129 0.000 1.086 155 L CA -0.011 54.881 54.840 0.087 0.000 0.778 155 L CB 0.180 42.300 42.059 0.101 0.000 0.928 155 L HN 0.123 nan 8.230 nan 0.000 0.446 156 C N -0.211 119.075 119.300 -0.022 0.000 2.281 156 C HA 0.095 4.555 4.460 -0.000 0.000 0.336 156 C C 0.914 175.869 174.990 -0.058 0.000 1.217 156 C CA -0.950 58.031 59.018 -0.062 0.000 1.730 156 C CB -0.795 26.796 27.740 -0.249 0.000 2.338 156 C HN 0.470 nan 8.230 nan 0.000 0.521 157 W N 1.849 123.090 121.300 -0.099 0.000 3.003 157 W HA 0.108 4.768 4.660 -0.000 0.000 0.257 157 W C 1.492 177.975 176.519 -0.061 0.000 1.308 157 W CA 0.209 57.515 57.345 -0.065 0.000 1.529 157 W CB -0.135 29.299 29.460 -0.043 0.000 1.115 157 W HN 0.671 nan 8.180 nan 0.000 0.659 158 T N -3.338 111.271 114.554 0.092 0.000 2.885 158 T HA 0.293 4.643 4.350 -0.000 0.000 0.285 158 T C 0.838 175.513 174.700 -0.041 0.000 1.019 158 T CA -0.633 61.490 62.100 0.040 0.000 1.010 158 T CB 2.559 71.471 68.868 0.074 0.000 1.022 158 T HN -0.209 nan 8.240 nan 0.000 0.466 159 E N 1.106 121.290 120.200 -0.025 0.000 2.150 159 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 159 E C 2.145 178.719 176.600 -0.043 0.000 0.985 159 E CA 1.136 57.508 56.400 -0.046 0.000 0.814 159 E CB -0.413 29.274 29.700 -0.021 0.000 0.752 159 E HN 0.739 nan 8.360 nan 0.000 0.466 160 S N 0.665 116.374 115.700 0.015 0.000 2.359 160 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 160 S C 2.084 176.659 174.600 -0.041 0.000 1.035 160 S CA 1.614 59.871 58.200 0.095 0.000 1.018 160 S CB -0.086 63.254 63.200 0.234 0.000 0.876 160 S HN 0.299 nan 8.310 nan 0.000 0.448 161 A N 1.135 123.782 122.820 -0.288 0.000 1.898 161 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 161 A C 2.171 179.354 177.584 -0.668 0.000 1.181 161 A CA 1.767 53.298 52.037 -0.843 0.000 0.620 161 A CB -0.712 17.824 19.000 -0.774 0.000 0.819 161 A HN 0.645 nan 8.150 nan 0.000 0.442 162 K N -0.468 119.672 120.400 -0.434 0.000 2.097 162 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 162 K C 2.206 178.646 176.600 -0.268 0.000 1.049 162 K CA 1.703 57.761 56.287 -0.381 0.000 0.933 162 K CB -0.167 32.188 32.500 -0.243 0.000 0.717 162 K HN 0.646 nan 8.250 nan 0.000 0.442 163 Q N 0.195 119.899 119.800 -0.160 0.000 2.079 163 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 163 Q C 2.086 178.078 176.000 -0.013 0.000 0.974 163 Q CA 1.182 56.955 55.803 -0.050 0.000 0.840 163 Q CB -0.053 28.697 28.738 0.020 0.000 0.898 163 Q HN 0.209 nan 8.270 nan 0.000 0.430 164 L N 0.457 121.654 121.223 -0.042 0.000 2.109 164 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 164 L C 2.122 179.019 176.870 0.045 0.000 1.086 164 L CA 1.719 56.600 54.840 0.068 0.000 0.760 164 L CB -0.658 41.477 42.059 0.127 0.000 0.910 164 L HN 0.130 nan 8.230 nan 0.000 0.437 165 A N -1.557 121.067 122.820 -0.327 0.000 1.902 165 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 165 A C 2.265 179.813 177.584 -0.060 0.000 1.181 165 A CA 2.319 54.097 52.037 -0.432 0.000 0.623 165 A CB -1.164 17.097 19.000 -1.233 0.000 0.818 165 A HN 0.489 nan 8.150 nan 0.000 0.443 166 T N 0.450 114.944 114.554 -0.099 0.000 2.708 166 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 166 T C 1.820 176.553 174.700 0.057 0.000 1.037 166 T CA 1.210 63.288 62.100 -0.036 0.000 1.146 166 T CB -0.279 68.564 68.868 -0.042 0.000 0.865 166 T HN 0.227 nan 8.240 nan 0.000 0.435 167 L N 0.335 121.631 121.223 0.120 0.000 2.013 167 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 167 L C 2.239 179.233 176.870 0.206 0.000 1.073 167 L CA 1.894 56.836 54.840 0.171 0.000 0.753 167 L CB -1.137 41.056 42.059 0.224 0.000 0.890 167 L HN 0.277 nan 8.230 nan 0.000 0.432 168 F N 0.225 120.273 119.950 0.163 0.000 2.069 168 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 168 F C 2.396 178.320 175.800 0.207 0.000 1.113 168 F CA 1.760 59.912 58.000 0.254 0.000 1.214 168 F CB -0.345 38.979 39.000 0.540 0.000 0.978 168 F HN -0.177 nan 8.300 nan 0.000 0.474 169 V N 0.935 120.941 119.914 0.152 0.000 2.287 169 V HA -0.373 3.747 4.120 -0.000 0.000 0.248 169 V C 1.971 177.994 176.094 -0.119 0.000 1.053 169 V CA 2.531 64.714 62.300 -0.195 0.000 1.027 169 V CB -1.065 30.493 31.823 -0.442 0.000 0.646 169 V HN 0.422 nan 8.190 nan 0.000 0.447 170 N N -0.002 118.654 118.700 -0.074 0.000 2.120 170 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 170 N C 1.752 177.217 175.510 -0.075 0.000 1.024 170 N CA 1.278 54.284 53.050 -0.074 0.000 0.852 170 N CB -0.195 38.283 38.487 -0.015 0.000 1.003 170 N HN 0.354 nan 8.380 nan 0.000 0.424 171 L N 0.733 121.927 121.223 -0.048 0.000 2.072 171 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 171 L C 1.958 178.817 176.870 -0.019 0.000 1.079 171 L CA 1.468 56.273 54.840 -0.058 0.000 0.752 171 L CB -0.522 41.461 42.059 -0.126 0.000 0.906 171 L HN 0.201 nan 8.230 nan 0.000 0.436 172 C N -1.315 117.945 119.300 -0.066 0.000 2.440 172 C HA 0.006 4.466 4.460 -0.000 0.000 0.278 172 C C 2.237 177.335 174.990 0.180 0.000 1.295 172 C CA 0.884 59.928 59.018 0.045 0.000 1.738 172 C CB -0.625 27.075 27.740 -0.067 0.000 1.987 172 C HN 0.585 nan 8.230 nan 0.000 0.492 173 V N -2.081 117.863 119.914 0.051 0.000 3.276 173 V HA 0.292 4.412 4.120 -0.000 0.000 0.319 173 V C 0.758 176.733 176.094 -0.198 0.000 1.476 173 V CA 0.784 63.075 62.300 -0.015 0.000 1.097 173 V CB -1.318 30.614 31.823 0.181 0.000 0.988 173 V HN 0.503 nan 8.190 nan 0.000 0.473 174 T N -1.272 113.072 114.554 -0.350 0.000 3.760 174 T HA -0.069 4.281 4.350 -0.000 0.000 0.366 174 T C 0.145 174.681 174.700 -0.274 0.000 0.761 174 T CA 1.365 63.230 62.100 -0.391 0.000 1.887 174 T CB -2.608 65.879 68.868 -0.634 0.000 1.811 174 T HN 2.469 nan 8.240 nan 0.000 0.749 175 A N -0.363 122.293 122.820 -0.273 0.000 2.594 175 A HA 0.740 5.060 4.320 -0.000 0.000 0.291 175 A C -0.479 176.904 177.584 -0.335 0.000 1.105 175 A CA -1.063 50.739 52.037 -0.392 0.000 0.694 175 A CB 1.234 19.780 19.000 -0.756 0.000 1.291 175 A HN 0.326 nan 8.150 nan 0.000 0.410 176 E N 0.392 120.345 120.200 -0.411 0.000 2.349 176 E HA 0.279 4.629 4.350 -0.000 0.000 0.262 176 E C 1.215 177.536 176.600 -0.465 0.000 1.088 176 E CA 0.489 56.630 56.400 -0.433 0.000 0.899 176 E CB 0.991 30.252 29.700 -0.732 0.000 1.044 176 E HN 0.795 nan 8.360 nan 0.000 0.420 177 T N -1.457 112.898 114.554 -0.331 0.000 2.833 177 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 177 T C 1.439 176.031 174.700 -0.181 0.000 1.054 177 T CA 1.584 63.542 62.100 -0.236 0.000 1.135 177 T CB -0.369 68.411 68.868 -0.146 0.000 0.869 177 T HN 0.606 nan 8.240 nan 0.000 0.466 178 H N 0.711 119.736 119.070 -0.075 0.000 2.547 178 H HA 0.241 4.797 4.556 -0.000 0.000 0.272 178 H C 1.491 176.802 175.328 -0.028 0.000 0.989 178 H CA 0.823 56.845 56.048 -0.044 0.000 1.214 178 H CB -0.227 29.508 29.762 -0.045 0.000 1.389 178 H HN 0.500 nan 8.280 nan 0.000 0.577 179 E N 1.371 121.373 120.200 -0.330 0.000 2.230 179 E HA 0.033 4.383 4.350 -0.000 0.000 0.192 179 E C 0.799 177.382 176.600 -0.028 0.000 0.987 179 E CA 0.531 56.831 56.400 -0.168 0.000 0.841 179 E CB 0.693 30.142 29.700 -0.418 0.000 0.783 179 E HN 0.370 nan 8.360 nan 0.000 0.481 180 V N -1.221 118.674 119.914 -0.032 0.000 2.715 180 V HA 0.413 4.533 4.120 -0.000 0.000 0.310 180 V C -0.027 176.228 176.094 0.268 0.000 1.054 180 V CA -1.190 61.205 62.300 0.159 0.000 0.928 180 V CB 1.869 33.839 31.823 0.245 0.000 1.007 180 V HN -0.043 nan 8.190 nan 0.000 0.437 181 S N 3.269 119.199 115.700 0.384 0.000 2.549 181 S HA 0.401 4.871 4.470 -0.000 0.000 0.286 181 S C 1.465 176.335 174.600 0.450 0.000 1.314 181 S CA 0.218 58.658 58.200 0.399 0.000 1.062 181 S CB 0.857 64.326 63.200 0.448 0.000 0.865 181 S HN 1.772 nan 8.310 nan 0.000 0.498 182 A N 5.028 128.039 122.820 0.318 0.000 1.902 182 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 182 A C 2.020 179.789 177.584 0.307 0.000 1.181 182 A CA 1.608 53.803 52.037 0.263 0.000 0.623 182 A CB -0.888 18.187 19.000 0.125 0.000 0.818 182 A HN 0.960 nan 8.150 nan 0.000 0.443 183 L N -1.431 120.016 121.223 0.373 0.000 2.012 183 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 183 L C 2.226 179.336 176.870 0.400 0.000 1.073 183 L CA 2.572 57.659 54.840 0.412 0.000 0.748 183 L CB -0.789 41.512 42.059 0.404 0.000 0.891 183 L HN 0.659 nan 8.230 nan 0.000 0.431 184 W N -0.582 120.895 121.300 0.296 0.000 2.358 184 W HA -0.277 4.383 4.660 -0.000 0.000 0.303 184 W C 2.339 179.140 176.519 0.471 0.000 1.208 184 W CA 1.905 59.449 57.345 0.332 0.000 1.274 184 W CB -0.678 28.969 29.460 0.312 0.000 1.138 184 W HN 0.293 nan 8.180 nan 0.000 0.515 185 F N 0.734 120.784 119.950 0.166 0.000 2.146 185 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 185 F C 2.106 177.851 175.800 -0.090 0.000 1.096 185 F CA 2.136 60.042 58.000 -0.156 0.000 1.275 185 F CB -0.690 38.364 39.000 0.091 0.000 1.008 185 F HN -0.174 nan 8.300 nan 0.000 0.480 186 L N -1.237 120.006 121.223 0.032 0.000 2.083 186 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 186 L C 2.306 179.105 176.870 -0.119 0.000 1.083 186 L CA 1.650 56.444 54.840 -0.077 0.000 0.752 186 L CB -1.024 41.012 42.059 -0.039 0.000 0.899 186 L HN 0.455 nan 8.230 nan 0.000 0.433 187 W N 0.097 121.275 121.300 -0.204 0.000 2.335 187 W HA -0.317 4.343 4.660 -0.000 0.000 0.311 187 W C 2.604 178.917 176.519 -0.343 0.000 1.213 187 W CA 1.579 58.786 57.345 -0.229 0.000 1.274 187 W CB -0.649 28.708 29.460 -0.172 0.000 1.148 187 W HN 0.108 nan 8.180 nan 0.000 0.498 188 Y N 0.542 120.375 120.300 -0.779 0.000 2.165 188 Y HA -0.280 4.270 4.550 -0.000 0.000 0.286 188 Y C 2.381 177.733 175.900 -0.914 0.000 1.155 188 Y CA 2.928 60.367 58.100 -1.102 0.000 1.164 188 Y CB -0.757 37.034 38.460 -1.115 0.000 0.978 188 Y HN -0.137 nan 8.280 nan 0.000 0.513 189 V N 0.864 120.377 119.914 -0.668 0.000 2.307 189 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 189 V C 2.507 178.287 176.094 -0.523 0.000 1.045 189 V CA 2.177 64.167 62.300 -0.518 0.000 1.024 189 V CB -0.685 30.938 31.823 -0.333 0.000 0.651 189 V HN 0.304 nan 8.190 nan 0.000 0.449 190 K N 1.200 121.313 120.400 -0.478 0.000 2.063 190 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 190 K C 2.154 178.431 176.600 -0.538 0.000 1.048 190 K CA 2.384 58.425 56.287 -0.410 0.000 0.928 190 K CB -0.232 32.097 32.500 -0.285 0.000 0.713 190 K HN 0.722 nan 8.250 nan 0.000 0.442 191 Q N -0.740 118.593 119.800 -0.778 0.000 2.488 191 Q HA -0.012 4.328 4.340 -0.000 0.000 0.211 191 Q C 1.437 176.898 176.000 -0.899 0.000 0.967 191 Q CA 1.080 56.410 55.803 -0.787 0.000 0.926 191 Q CB -0.478 27.631 28.738 -1.048 0.000 0.992 191 Q HN 0.164 nan 8.270 nan 0.000 0.506 192 C N 0.236 118.857 119.300 -1.130 0.000 2.754 192 C HA 0.620 5.080 4.460 -0.000 0.000 0.276 192 C C 1.510 175.768 174.990 -1.219 0.000 1.264 192 C CA 0.080 58.022 59.018 -1.793 0.000 1.700 192 C CB -0.884 25.847 27.740 -1.681 0.000 1.885 192 C HN 0.829 nan 8.230 nan 0.000 0.607 193 G N 0.206 108.603 108.800 -0.672 0.000 2.157 193 G HA2 0.284 4.244 3.960 -0.000 0.000 0.239 193 G HA3 0.284 4.244 3.960 -0.000 0.000 0.239 193 G C 0.469 175.212 174.900 -0.262 0.000 0.982 193 G CA 0.034 44.915 45.100 -0.364 0.000 0.650 193 G HN 1.660 nan 8.290 nan 0.000 0.527 194 G N -2.144 106.483 108.800 -0.289 0.000 2.592 194 G HA2 0.330 4.290 3.960 -0.000 0.000 0.684 194 G HA3 0.330 4.290 3.960 -0.000 0.000 0.684 194 G C 1.001 175.856 174.900 -0.075 0.000 1.291 194 G CA 0.960 45.959 45.100 -0.169 0.000 0.891 194 G HN 1.835 nan 8.290 nan 0.000 0.544 195 T N -2.992 111.570 114.554 0.012 0.000 2.708 195 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 195 T C 2.343 177.112 174.700 0.114 0.000 1.037 195 T CA 2.910 65.098 62.100 0.146 0.000 1.146 195 T CB -0.774 68.154 68.868 0.101 0.000 0.865 195 T HN 0.922 nan 8.240 nan 0.000 0.435 196 T N 1.350 115.930 114.554 0.043 0.000 2.708 196 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 196 T C 2.130 176.802 174.700 -0.046 0.000 1.037 196 T CA 1.485 63.564 62.100 -0.036 0.000 1.146 196 T CB -0.316 68.543 68.868 -0.016 0.000 0.865 196 T HN 0.309 nan 8.240 nan 0.000 0.435 197 R N 0.990 121.473 120.500 -0.029 0.000 2.081 197 R HA 0.115 4.455 4.340 -0.000 0.000 0.235 197 R C 2.219 178.547 176.300 0.047 0.000 1.131 197 R CA 1.224 57.323 56.100 -0.001 0.000 0.960 197 R CB -0.878 29.405 30.300 -0.029 0.000 0.856 197 R HN 0.455 nan 8.270 nan 0.000 0.436 198 I N -0.593 119.974 120.570 -0.004 0.000 2.394 198 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 198 I C 1.281 177.445 176.117 0.078 0.000 1.136 198 I CA 1.067 62.392 61.300 0.043 0.000 1.425 198 I CB 0.135 38.105 38.000 -0.051 0.000 1.079 198 I HN 0.233 nan 8.210 nan 0.000 0.425 199 I N -0.395 120.202 120.570 0.045 0.000 3.783 199 I HA 0.091 4.261 4.170 -0.000 0.000 0.310 199 I C 1.029 177.093 176.117 -0.089 0.000 1.274 199 I CA 0.391 61.679 61.300 -0.020 0.000 1.294 199 I CB 0.053 38.080 38.000 0.046 0.000 1.051 199 I HN -0.037 nan 8.210 nan 0.000 0.435 200 S N -0.384 115.267 115.700 -0.081 0.000 2.601 200 S HA 0.235 4.705 4.470 -0.000 0.000 0.271 200 S C 1.246 175.808 174.600 -0.062 0.000 1.305 200 S CA -0.185 57.960 58.200 -0.092 0.000 1.022 200 S CB 1.385 64.531 63.200 -0.089 0.000 0.940 200 S HN 0.266 nan 8.310 nan 0.000 0.525 201 T N 1.748 116.262 114.554 -0.066 0.000 3.065 201 T HA 0.045 4.395 4.350 -0.000 0.000 0.234 201 T C 0.570 175.231 174.700 -0.065 0.000 1.017 201 T CA 0.538 62.593 62.100 -0.075 0.000 1.292 201 T CB -0.388 68.435 68.868 -0.075 0.000 1.005 201 T HN 0.590 nan 8.240 nan 0.000 0.423 202 T N 3.639 118.160 114.554 -0.056 0.000 2.829 202 T HA 0.135 4.485 4.350 -0.000 0.000 0.293 202 T C 0.661 175.336 174.700 -0.041 0.000 0.970 202 T CA 0.300 62.374 62.100 -0.044 0.000 1.168 202 T CB -0.130 68.717 68.868 -0.035 0.000 0.911 202 T HN 0.498 nan 8.240 nan 0.000 0.535 203 N N 0.906 119.584 118.700 -0.037 0.000 2.782 203 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 203 N C 0.129 175.630 175.510 -0.016 0.000 1.101 203 N CA 1.374 54.408 53.050 -0.026 0.000 0.764 203 N CB -1.053 37.423 38.487 -0.018 0.000 1.122 203 N HN 0.958 nan 8.380 nan 0.000 0.561 204 G N -3.066 105.718 108.800 -0.026 0.000 2.975 204 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 204 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 204 G C 0.876 175.763 174.900 -0.022 0.000 1.334 204 G CA -0.040 45.065 45.100 0.009 0.000 0.843 204 G HN 0.280 nan 8.290 nan 0.000 0.548 205 G N -1.029 107.795 108.800 0.039 0.000 2.598 205 G HA2 0.029 3.989 3.960 -0.000 0.000 0.215 205 G HA3 0.029 3.989 3.960 -0.000 0.000 0.215 205 G C 1.109 175.968 174.900 -0.069 0.000 1.131 205 G CA 0.634 45.685 45.100 -0.082 0.000 0.785 205 G HN 0.481 nan 8.290 nan 0.000 0.539 206 Q N -0.402 119.345 119.800 -0.089 0.000 2.222 206 Q HA 0.196 4.536 4.340 -0.000 0.000 0.206 206 Q C 1.721 177.645 176.000 -0.127 0.000 0.877 206 Q CA -0.243 55.439 55.803 -0.202 0.000 0.958 206 Q CB 0.463 29.014 28.738 -0.312 0.000 1.075 206 Q HN 0.590 nan 8.270 nan 0.000 0.483 207 E N 1.040 121.181 120.200 -0.099 0.000 2.110 207 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 207 E C 0.109 176.645 176.600 -0.107 0.000 0.988 207 E CA 0.805 57.148 56.400 -0.096 0.000 0.804 207 E CB 0.482 30.121 29.700 -0.102 0.000 0.745 207 E HN 0.158 nan 8.360 nan 0.000 0.458 208 R N -0.788 119.627 120.500 -0.141 0.000 2.808 208 R HA 0.452 4.792 4.340 -0.000 0.000 0.272 208 R C -1.087 174.987 176.300 -0.376 0.000 0.995 208 R CA -0.729 55.198 56.100 -0.289 0.000 0.917 208 R CB 2.041 32.147 30.300 -0.323 0.000 1.217 208 R HN -0.171 nan 8.270 nan 0.000 0.471 209 K N 0.693 120.690 120.400 -0.672 0.000 2.400 209 K HA 0.435 4.755 4.320 -0.000 0.000 0.246 209 K C -1.119 175.138 176.600 -0.572 0.000 0.995 209 K CA -0.696 55.201 56.287 -0.651 0.000 0.840 209 K CB 1.570 33.726 32.500 -0.574 0.000 1.293 209 K HN 0.247 nan 8.250 nan 0.000 0.445 210 F N 1.114 120.987 119.950 -0.129 0.000 2.427 210 F HA 0.145 4.672 4.527 -0.000 0.000 0.352 210 F C 0.473 176.319 175.800 0.076 0.000 1.100 210 F CA -0.910 57.068 58.000 -0.038 0.000 1.191 210 F CB 0.975 39.933 39.000 -0.071 0.000 1.128 210 F HN 0.017 nan 8.300 nan 0.000 0.533 211 V N 3.764 123.872 119.914 0.324 0.000 2.493 211 V HA 0.192 4.312 4.120 -0.000 0.000 0.292 211 V C 0.967 176.945 176.094 -0.193 0.000 1.016 211 V CA 1.221 63.628 62.300 0.179 0.000 1.097 211 V CB 0.140 32.051 31.823 0.147 0.000 0.947 211 V HN 1.108 nan 8.190 nan 0.000 0.479 212 G N 3.303 111.566 108.800 -0.894 0.000 2.199 212 G HA2 0.118 4.078 3.960 -0.000 0.000 0.254 212 G HA3 0.118 4.078 3.960 -0.000 0.000 0.254 212 G C 0.813 175.220 174.900 -0.821 0.000 0.982 212 G CA -0.004 44.290 45.100 -1.343 0.000 0.632 212 G HN 2.450 nan 8.290 nan 0.000 0.529 213 G N -1.664 106.929 108.800 -0.345 0.000 2.617 213 G HA2 0.381 4.341 3.960 -0.000 0.000 0.686 213 G HA3 0.381 4.341 3.960 -0.000 0.000 0.686 213 G C 0.751 175.661 174.900 0.016 0.000 1.214 213 G CA 0.823 45.906 45.100 -0.027 0.000 0.796 213 G HN 1.867 nan 8.290 nan 0.000 0.654 214 S N -0.144 115.616 115.700 0.100 0.000 2.489 214 S HA 0.180 4.650 4.470 -0.000 0.000 0.228 214 S C 2.490 177.074 174.600 -0.027 0.000 0.995 214 S CA 1.501 59.756 58.200 0.093 0.000 0.934 214 S CB 0.139 63.461 63.200 0.203 0.000 0.771 214 S HN 2.142 nan 8.310 nan 0.000 0.522 215 G N 1.507 110.305 108.800 -0.004 0.000 2.462 215 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 215 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 215 G C 1.441 176.310 174.900 -0.051 0.000 1.121 215 G CA 0.654 45.757 45.100 0.004 0.000 0.758 215 G HN 0.625 nan 8.290 nan 0.000 0.559 216 Q N -0.231 119.503 119.800 -0.109 0.000 2.226 216 Q HA -0.049 4.291 4.340 -0.000 0.000 0.204 216 Q C 2.740 178.639 176.000 -0.168 0.000 0.975 216 Q CA 0.899 56.618 55.803 -0.141 0.000 0.866 216 Q CB -0.153 28.476 28.738 -0.182 0.000 0.915 216 Q HN 0.436 nan 8.270 nan 0.000 0.440 217 V N 0.262 120.048 119.914 -0.214 0.000 2.233 217 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 217 V C 2.132 178.160 176.094 -0.110 0.000 1.050 217 V CA 2.194 64.374 62.300 -0.201 0.000 1.010 217 V CB -0.656 31.031 31.823 -0.226 0.000 0.637 217 V HN 0.300 nan 8.190 nan 0.000 0.444 218 S N -0.741 114.919 115.700 -0.066 0.000 2.383 218 S HA -0.191 4.279 4.470 -0.000 0.000 0.227 218 S C 1.916 176.494 174.600 -0.037 0.000 1.026 218 S CA 1.470 59.650 58.200 -0.034 0.000 0.981 218 S CB -0.286 62.916 63.200 0.004 0.000 0.818 218 S HN 0.685 nan 8.310 nan 0.000 0.472 219 E N 0.988 121.166 120.200 -0.038 0.000 2.077 219 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 219 E C 2.333 178.902 176.600 -0.052 0.000 0.989 219 E CA 0.882 57.261 56.400 -0.036 0.000 0.800 219 E CB -0.073 29.606 29.700 -0.035 0.000 0.746 219 E HN 0.351 nan 8.360 nan 0.000 0.452 220 R N 0.152 120.609 120.500 -0.072 0.000 2.148 220 R HA 0.002 4.342 4.340 -0.000 0.000 0.223 220 R C 2.307 178.563 176.300 -0.074 0.000 1.088 220 R CA 0.693 56.748 56.100 -0.075 0.000 0.985 220 R CB -0.098 30.148 30.300 -0.091 0.000 0.880 220 R HN 0.210 nan 8.270 nan 0.000 0.451 221 I N 0.693 121.217 120.570 -0.076 0.000 2.252 221 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 221 I C 2.661 178.727 176.117 -0.085 0.000 1.102 221 I CA 1.143 62.395 61.300 -0.080 0.000 1.385 221 I CB -0.185 37.772 38.000 -0.071 0.000 1.064 221 I HN 0.193 nan 8.210 nan 0.000 0.414 222 M N 0.873 120.433 119.600 -0.066 0.000 2.159 222 M HA -0.244 4.236 4.480 -0.000 0.000 0.263 222 M C 1.603 177.865 176.300 -0.063 0.000 1.063 222 M CA 1.940 57.204 55.300 -0.061 0.000 1.110 222 M CB -0.232 32.344 32.600 -0.040 0.000 1.374 222 M HN 0.147 nan 8.290 nan 0.000 0.411 223 D N 0.869 121.235 120.400 -0.058 0.000 2.104 223 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 223 D C 2.060 178.321 176.300 -0.064 0.000 0.994 223 D CA 1.502 55.471 54.000 -0.052 0.000 0.830 223 D CB -0.532 40.240 40.800 -0.046 0.000 0.959 223 D HN 0.438 nan 8.370 nan 0.000 0.452 224 L N 0.092 121.264 121.223 -0.086 0.000 2.046 224 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 224 L C 2.451 179.219 176.870 -0.170 0.000 1.077 224 L CA 0.740 55.513 54.840 -0.112 0.000 0.747 224 L CB -0.299 41.680 42.059 -0.134 0.000 0.896 224 L HN 0.023 nan 8.230 nan 0.000 0.432 225 L N -1.022 120.089 121.223 -0.187 0.000 2.418 225 L HA 0.102 4.442 4.340 -0.000 0.000 0.218 225 L C 1.757 178.563 176.870 -0.107 0.000 1.125 225 L CA 0.388 55.094 54.840 -0.224 0.000 0.835 225 L CB -0.786 41.157 42.059 -0.193 0.000 0.953 225 L HN 0.451 nan 8.230 nan 0.000 0.454 226 G N 2.067 110.825 108.800 -0.070 0.000 2.651 226 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.315 226 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.315 226 G C 0.527 175.413 174.900 -0.023 0.000 1.258 226 G CA 0.733 45.812 45.100 -0.035 0.000 1.002 226 G HN 0.555 nan 8.290 nan 0.000 0.551 227 D N 0.874 121.270 120.400 -0.006 0.000 2.363 227 D HA 0.058 4.698 4.640 -0.000 0.000 0.226 227 D C 2.066 178.373 176.300 0.012 0.000 1.020 227 D CA 0.825 54.829 54.000 0.006 0.000 0.892 227 D CB -0.317 40.494 40.800 0.018 0.000 0.900 227 D HN 0.642 nan 8.370 nan 0.000 0.531 228 R N -0.073 120.427 120.500 -0.000 0.000 2.189 228 R HA 0.071 4.411 4.340 -0.000 0.000 0.223 228 R C 0.247 176.531 176.300 -0.027 0.000 1.092 228 R CA 0.363 56.462 56.100 -0.000 0.000 0.989 228 R CB 0.125 30.422 30.300 -0.005 0.000 0.876 228 R HN 0.117 nan 8.270 nan 0.000 0.457 229 V N 2.934 122.826 119.914 -0.036 0.000 2.406 229 V HA 0.109 4.229 4.120 -0.000 0.000 0.272 229 V C -0.056 176.015 176.094 -0.040 0.000 1.043 229 V CA -0.326 61.945 62.300 -0.049 0.000 0.915 229 V CB 1.345 33.141 31.823 -0.046 0.000 0.988 229 V HN 0.049 nan 8.190 nan 0.000 0.466 230 K N 6.486 126.849 120.400 -0.063 0.000 2.389 230 K HA 0.534 4.854 4.320 -0.000 0.000 0.261 230 K C -0.705 175.861 176.600 -0.057 0.000 1.014 230 K CA -0.340 55.919 56.287 -0.046 0.000 0.920 230 K CB 1.870 34.332 32.500 -0.063 0.000 1.149 230 K HN 0.498 nan 8.250 nan 0.000 0.444 231 L N 1.702 122.904 121.223 -0.036 0.000 2.418 231 L HA 0.154 4.494 4.340 -0.000 0.000 0.265 231 L C 0.729 177.572 176.870 -0.044 0.000 1.143 231 L CA -0.141 54.673 54.840 -0.042 0.000 0.809 231 L CB 0.207 42.252 42.059 -0.024 0.000 1.124 231 L HN 0.697 nan 8.230 nan 0.000 0.456 232 E N 0.438 120.598 120.200 -0.066 0.000 2.389 232 E HA -0.241 4.109 4.350 -0.000 0.000 0.243 232 E C -0.467 176.092 176.600 -0.067 0.000 1.154 232 E CA 0.290 56.650 56.400 -0.068 0.000 0.723 232 E CB -0.950 28.732 29.700 -0.030 0.000 1.261 232 E HN 0.379 nan 8.360 nan 0.000 0.390 233 R N 0.220 120.663 120.500 -0.095 0.000 2.724 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 233 R C -2.695 173.526 176.300 -0.131 0.000 1.481 233 R CA -1.981 54.069 56.100 -0.084 0.000 1.652 233 R CB 0.612 30.867 30.300 -0.074 0.000 1.175 233 R HN -0.012 nan 8.270 nan 0.000 0.613 234 P HA -0.002 nan 4.420 nan 0.000 0.271 234 P C -0.305 176.954 177.300 -0.068 0.000 1.226 234 P CA -0.143 62.852 63.100 -0.175 0.000 0.765 234 P CB 0.872 32.488 31.700 -0.140 0.000 0.835 235 V N 5.668 125.551 119.914 -0.051 0.000 2.572 235 V HA 0.035 4.155 4.120 -0.000 0.000 0.291 235 V C 1.735 177.842 176.094 0.021 0.000 1.039 235 V CA 0.478 62.768 62.300 -0.015 0.000 1.055 235 V CB 0.224 32.029 31.823 -0.029 0.000 0.969 235 V HN 0.545 nan 8.190 nan 0.000 0.482 236 I N 1.942 122.536 120.570 0.039 0.000 4.323 236 I HA 0.447 4.617 4.170 -0.000 0.000 0.328 236 I C 0.014 176.215 176.117 0.139 0.000 1.310 236 I CA 0.118 61.468 61.300 0.084 0.000 1.186 236 I CB 0.627 38.654 38.000 0.044 0.000 1.130 236 I HN 0.507 nan 8.210 nan 0.000 0.411 237 Y N 1.729 121.972 120.300 -0.095 0.000 2.436 237 Y HA 0.685 5.235 4.550 -0.000 0.000 0.327 237 Y C -1.962 173.856 175.900 -0.137 0.000 1.138 237 Y CA -1.532 56.495 58.100 -0.123 0.000 1.042 237 Y CB 1.611 40.033 38.460 -0.065 0.000 1.302 237 Y HN -0.009 nan 8.280 nan 0.000 0.439 238 I N 5.737 125.891 120.570 -0.692 0.000 2.499 238 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 238 I C -1.467 174.268 176.117 -0.636 0.000 1.048 238 I CA -0.706 60.278 61.300 -0.527 0.000 1.062 238 I CB 1.931 39.776 38.000 -0.259 0.000 1.238 238 I HN 0.534 nan 8.210 nan 0.000 0.426 239 D N 6.080 126.176 120.400 -0.507 0.000 2.481 239 D HA 0.276 4.916 4.640 -0.000 0.000 0.246 239 D C -0.345 175.889 176.300 -0.109 0.000 1.109 239 D CA -0.223 53.581 54.000 -0.326 0.000 0.845 239 D CB 1.631 42.270 40.800 -0.269 0.000 1.160 239 D HN 0.503 nan 8.370 nan 0.000 0.534 240 Q N 1.869 121.644 119.800 -0.043 0.000 2.175 240 Q HA 0.086 4.426 4.340 -0.000 0.000 0.225 240 Q C 1.076 177.076 176.000 0.000 0.000 0.837 240 Q CA -0.002 55.794 55.803 -0.011 0.000 1.032 240 Q CB 0.790 29.535 28.738 0.012 0.000 1.137 240 Q HN 0.566 nan 8.270 nan 0.000 0.483 241 T N -2.754 111.804 114.554 0.007 0.000 3.088 241 T HA 0.141 4.491 4.350 -0.000 0.000 0.259 241 T C 0.922 175.629 174.700 0.012 0.000 1.122 241 T CA 0.145 62.256 62.100 0.018 0.000 1.095 241 T CB 0.323 69.212 68.868 0.034 0.000 0.930 241 T HN 0.063 nan 8.240 nan 0.000 0.508 242 R N 0.326 120.829 120.500 0.004 0.000 2.944 242 R HA 0.494 4.834 4.340 -0.000 0.000 0.233 242 R C 1.523 177.814 176.300 -0.014 0.000 1.346 242 R CA -0.663 55.437 56.100 -0.000 0.000 1.082 242 R CB 0.756 31.059 30.300 0.005 0.000 1.434 242 R HN 0.169 nan 8.270 nan 0.000 0.510 243 E N 0.699 120.889 120.200 -0.017 0.000 2.038 243 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 243 E C -0.284 176.286 176.600 -0.051 0.000 1.000 243 E CA 1.210 57.592 56.400 -0.030 0.000 0.803 243 E CB 0.155 29.841 29.700 -0.023 0.000 0.750 243 E HN 0.306 nan 8.360 nan 0.000 0.448 244 N N 0.186 118.860 118.700 -0.043 0.000 2.430 244 N HA 0.203 4.943 4.740 -0.000 0.000 0.298 244 N C -0.990 174.494 175.510 -0.044 0.000 1.130 244 N CA -0.472 52.544 53.050 -0.057 0.000 0.894 244 N CB 1.995 40.459 38.487 -0.040 0.000 1.209 244 N HN -0.112 nan 8.380 nan 0.000 0.503 245 V N 1.673 121.556 119.914 -0.052 0.000 2.614 245 V HA 0.207 4.327 4.120 -0.000 0.000 0.291 245 V C 0.419 176.508 176.094 -0.009 0.000 1.049 245 V CA -0.342 61.939 62.300 -0.032 0.000 1.038 245 V CB 0.272 32.080 31.823 -0.026 0.000 0.980 245 V HN 0.363 nan 8.190 nan 0.000 0.481 246 L N 5.435 126.648 121.223 -0.018 0.000 2.296 246 L HA 0.581 4.921 4.340 -0.000 0.000 0.286 246 L C -0.662 176.203 176.870 -0.008 0.000 1.023 246 L CA -0.561 54.285 54.840 0.009 0.000 0.812 246 L CB 1.827 43.902 42.059 0.028 0.000 1.223 246 L HN 0.371 nan 8.230 nan 0.000 0.421 247 V N 2.807 122.761 119.914 0.066 0.000 2.409 247 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 247 V C -0.214 175.980 176.094 0.165 0.000 1.020 247 V CA -0.627 61.715 62.300 0.071 0.000 0.848 247 V CB 1.743 33.603 31.823 0.062 0.000 0.990 247 V HN 0.729 nan 8.190 nan 0.000 0.430 248 E N 2.988 123.282 120.200 0.156 0.000 2.191 248 E HA 0.643 4.993 4.350 -0.000 0.000 0.274 248 E C -0.246 176.427 176.600 0.121 0.000 0.948 248 E CA -0.480 56.028 56.400 0.179 0.000 0.802 248 E CB 1.816 31.651 29.700 0.224 0.000 1.137 248 E HN 0.836 nan 8.360 nan 0.000 0.397 249 T N 1.068 115.685 114.554 0.106 0.000 2.952 249 T HA 0.197 4.547 4.350 -0.000 0.000 0.286 249 T C 0.951 175.611 174.700 -0.066 0.000 1.024 249 T CA -0.841 61.278 62.100 0.032 0.000 1.029 249 T CB 1.158 70.065 68.868 0.064 0.000 1.094 249 T HN 0.454 nan 8.240 nan 0.000 0.515 250 L N 1.666 122.828 121.223 -0.102 0.000 2.083 250 L HA 0.019 4.358 4.340 -0.000 0.000 0.209 250 L C 1.860 178.477 176.870 -0.422 0.000 1.083 250 L CA 2.080 56.801 54.840 -0.198 0.000 0.752 250 L CB -1.118 40.886 42.059 -0.092 0.000 0.899 250 L HN 0.937 nan 8.230 nan 0.000 0.433 251 N N -2.339 116.213 118.700 -0.247 0.000 2.413 251 N HA -0.092 4.648 4.740 -0.000 0.000 0.207 251 N C -0.396 175.068 175.510 -0.076 0.000 1.206 251 N CA 0.130 53.076 53.050 -0.174 0.000 0.832 251 N CB -0.374 38.108 38.487 -0.008 0.000 1.037 251 N HN 0.392 nan 8.380 nan 0.000 0.467 252 H N -1.611 117.476 119.070 0.027 0.000 2.882 252 H HA -0.124 4.432 4.556 -0.000 0.000 0.314 252 H C -0.995 174.339 175.328 0.010 0.000 1.270 252 H CA 0.753 56.808 56.048 0.012 0.000 1.165 252 H CB -2.030 27.730 29.762 -0.004 0.000 1.436 252 H HN 0.683 nan 8.280 nan 0.000 0.431 253 E N 0.060 120.313 120.200 0.089 0.000 2.244 253 E HA 0.606 4.956 4.350 -0.000 0.000 0.266 253 E C -0.097 176.513 176.600 0.017 0.000 0.914 253 E CA -1.113 55.303 56.400 0.027 0.000 0.794 253 E CB 1.972 31.718 29.700 0.077 0.000 1.210 253 E HN 0.074 nan 8.360 nan 0.000 0.414 254 M N 2.289 121.796 119.600 -0.155 0.000 2.321 254 M HA 0.390 4.870 4.480 -0.000 0.000 0.315 254 M C -2.086 174.011 176.300 -0.338 0.000 1.052 254 M CA -0.385 54.858 55.300 -0.095 0.000 0.936 254 M CB 1.020 33.598 32.600 -0.036 0.000 1.639 254 M HN 0.416 nan 8.290 nan 0.000 0.433 255 Y N 1.499 121.810 120.300 0.018 0.000 2.485 255 Y HA 0.643 5.193 4.550 -0.000 0.000 0.345 255 Y C -0.523 175.380 175.900 0.005 0.000 0.998 255 Y CA -0.697 57.409 58.100 0.010 0.000 1.059 255 Y CB 1.887 40.351 38.460 0.006 0.000 1.234 255 Y HN 0.611 nan 8.280 nan 0.000 0.461 256 E N 1.606 121.879 120.200 0.122 0.000 2.234 256 E HA 0.844 5.194 4.350 -0.000 0.000 0.266 256 E C -1.623 175.015 176.600 0.062 0.000 0.877 256 E CA -0.717 55.721 56.400 0.063 0.000 0.758 256 E CB 1.432 31.145 29.700 0.022 0.000 1.170 256 E HN 0.769 nan 8.360 nan 0.000 0.415 257 A N 3.505 126.345 122.820 0.034 0.000 2.594 257 A HA 0.380 4.700 4.320 -0.000 0.000 0.291 257 A C -0.135 177.421 177.584 -0.047 0.000 1.105 257 A CA -0.647 51.403 52.037 0.021 0.000 0.694 257 A CB 1.519 20.552 19.000 0.054 0.000 1.291 257 A HN 0.688 nan 8.150 nan 0.000 0.410 258 K N -0.777 119.575 120.400 -0.080 0.000 2.116 258 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 258 K C -0.650 175.608 176.600 -0.570 0.000 1.052 258 K CA 1.493 57.595 56.287 -0.309 0.000 0.952 258 K CB -0.071 32.265 32.500 -0.273 0.000 0.729 258 K HN 0.602 nan 8.250 nan 0.000 0.446 259 Y N -1.425 118.894 120.300 0.033 0.000 2.655 259 Y HA 0.417 4.967 4.550 -0.000 0.000 0.336 259 Y C -0.651 175.273 175.900 0.040 0.000 1.154 259 Y CA -1.344 56.791 58.100 0.059 0.000 1.055 259 Y CB 1.750 40.241 38.460 0.053 0.000 1.295 259 Y HN -0.433 nan 8.280 nan 0.000 0.465 260 V N 2.659 122.713 119.914 0.233 0.000 2.789 260 V HA 0.495 4.615 4.120 -0.000 0.000 0.311 260 V C -0.746 175.393 176.094 0.074 0.000 1.073 260 V CA -0.886 61.476 62.300 0.103 0.000 0.921 260 V CB 2.277 34.129 31.823 0.048 0.000 1.009 260 V HN 0.535 nan 8.190 nan 0.000 0.426 261 I N 2.467 123.048 120.570 0.020 0.000 2.378 261 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 261 I C 0.185 176.280 176.117 -0.036 0.000 0.992 261 I CA -0.214 61.074 61.300 -0.019 0.000 1.154 261 I CB 1.949 39.947 38.000 -0.003 0.000 1.315 261 I HN 0.596 nan 8.210 nan 0.000 0.448 262 S N 5.253 120.892 115.700 -0.102 0.000 2.411 262 S HA 0.526 4.996 4.470 -0.000 0.000 0.294 262 S C 0.394 175.065 174.600 0.117 0.000 1.115 262 S CA -0.440 57.776 58.200 0.026 0.000 1.071 262 S CB 0.542 63.793 63.200 0.084 0.000 0.967 262 S HN 0.713 nan 8.310 nan 0.000 0.488 263 A N 5.946 128.829 122.820 0.106 0.000 2.911 263 A HA 0.468 4.788 4.320 -0.000 0.000 0.304 263 A C 0.291 177.951 177.584 0.128 0.000 1.144 263 A CA -0.676 51.431 52.037 0.117 0.000 0.988 263 A CB -0.520 18.525 19.000 0.075 0.000 1.141 263 A HN 0.893 nan 8.150 nan 0.000 0.552 264 I N -4.040 116.624 120.570 0.157 0.000 2.910 264 I HA 0.696 4.866 4.170 -0.000 0.000 0.310 264 I C -2.919 173.295 176.117 0.161 0.000 1.043 264 I CA -3.116 58.275 61.300 0.151 0.000 1.053 264 I CB 1.462 39.553 38.000 0.151 0.000 1.242 264 I HN -0.162 nan 8.210 nan 0.000 0.452 265 P HA 0.164 nan 4.420 nan 0.000 0.267 265 P C -2.179 175.179 177.300 0.096 0.000 1.200 265 P CA -0.733 62.439 63.100 0.120 0.000 0.772 265 P CB -0.001 31.756 31.700 0.094 0.000 0.855 266 P HA -0.217 nan 4.420 nan 0.000 0.215 266 P C 1.627 178.914 177.300 -0.022 0.000 1.157 266 P CA 1.887 64.996 63.100 0.015 0.000 0.874 266 P CB -0.273 31.405 31.700 -0.036 0.000 0.790 267 T N -1.255 113.261 114.554 -0.064 0.000 2.833 267 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 267 T C 1.558 176.249 174.700 -0.015 0.000 1.054 267 T CA 0.777 62.828 62.100 -0.083 0.000 1.135 267 T CB -0.836 67.949 68.868 -0.138 0.000 0.869 267 T HN -0.045 nan 8.240 nan 0.000 0.466 268 L N 0.503 121.746 121.223 0.033 0.000 2.456 268 L HA 0.086 4.426 4.340 -0.000 0.000 0.224 268 L C 2.811 179.754 176.870 0.122 0.000 1.148 268 L CA 0.746 55.634 54.840 0.079 0.000 0.825 268 L CB -0.813 41.318 42.059 0.120 0.000 0.937 268 L HN 0.364 nan 8.230 nan 0.000 0.450 269 G N -0.091 108.792 108.800 0.138 0.000 2.499 269 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.221 269 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.221 269 G C 1.602 176.638 174.900 0.227 0.000 1.109 269 G CA 0.322 45.561 45.100 0.231 0.000 0.749 269 G HN 0.166 nan 8.290 nan 0.000 0.568 270 M N 0.333 119.994 119.600 0.103 0.000 2.279 270 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 270 M C 2.121 178.434 176.300 0.021 0.000 1.062 270 M CA 0.992 56.322 55.300 0.050 0.000 1.099 270 M CB -0.501 32.091 32.600 -0.013 0.000 1.394 270 M HN 0.238 nan 8.290 nan 0.000 0.426 271 K N 0.087 120.521 120.400 0.057 0.000 2.555 271 K HA 0.130 4.450 4.320 -0.000 0.000 0.193 271 K C 0.374 177.016 176.600 0.071 0.000 1.032 271 K CA 0.451 56.779 56.287 0.067 0.000 1.004 271 K CB 0.107 32.682 32.500 0.124 0.000 0.804 271 K HN 0.327 nan 8.250 nan 0.000 0.496 272 I N 1.293 121.866 120.570 0.005 0.000 2.404 272 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 272 I C 0.108 176.046 176.117 -0.298 0.000 0.992 272 I CA -0.731 60.475 61.300 -0.156 0.000 1.149 272 I CB 1.302 39.072 38.000 -0.384 0.000 1.315 272 I HN 0.042 nan 8.210 nan 0.000 0.446 273 H N 6.170 125.119 119.070 -0.202 0.000 2.562 273 H HA 0.335 4.891 4.556 -0.000 0.000 0.314 273 H C -1.071 174.150 175.328 -0.178 0.000 1.079 273 H CA -0.183 55.850 56.048 -0.025 0.000 1.349 273 H CB 1.137 30.977 29.762 0.130 0.000 1.432 273 H HN 0.327 nan 8.280 nan 0.000 0.479 274 F N 1.988 122.032 119.950 0.157 0.000 2.443 274 F HA 0.158 4.685 4.527 -0.000 0.000 0.335 274 F C 0.634 176.473 175.800 0.065 0.000 1.104 274 F CA -0.704 57.323 58.000 0.046 0.000 1.013 274 F CB 1.309 40.323 39.000 0.023 0.000 1.136 274 F HN 0.474 nan 8.300 nan 0.000 0.470 275 N N 4.438 123.217 118.700 0.132 0.000 2.461 275 N HA 0.422 5.162 4.740 -0.000 0.000 0.284 275 N C -3.010 172.546 175.510 0.076 0.000 1.049 275 N CA -2.370 50.754 53.050 0.124 0.000 0.889 275 N CB 2.065 40.649 38.487 0.162 0.000 1.365 275 N HN 0.074 nan 8.380 nan 0.000 0.499 276 P HA 0.307 nan 4.420 nan 0.000 0.273 276 P C -2.635 174.738 177.300 0.121 0.000 1.250 276 P CA -0.973 62.183 63.100 0.094 0.000 0.793 276 P CB -0.411 31.323 31.700 0.058 0.000 1.011 277 P HA 0.054 nan 4.420 nan 0.000 0.267 277 P C 0.094 177.406 177.300 0.019 0.000 1.201 277 P CA 0.319 63.478 63.100 0.097 0.000 0.775 277 P CB 0.156 31.895 31.700 0.065 0.000 0.854 278 L N 3.771 124.956 121.223 -0.063 0.000 2.499 278 L HA 0.105 4.445 4.340 -0.000 0.000 0.281 278 L C -1.634 175.178 176.870 -0.097 0.000 1.234 278 L CA -1.519 53.212 54.840 -0.182 0.000 0.839 278 L CB -0.658 41.201 42.059 -0.332 0.000 1.104 278 L HN 0.307 nan 8.230 nan 0.000 0.500 279 P HA -0.043 nan 4.420 nan 0.000 0.268 279 P C 0.574 177.839 177.300 -0.058 0.000 1.208 279 P CA -0.149 62.915 63.100 -0.061 0.000 0.777 279 P CB 0.435 32.098 31.700 -0.062 0.000 0.875 280 M N 0.274 119.854 119.600 -0.034 0.000 2.106 280 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 280 M C 1.408 177.710 176.300 0.004 0.000 1.068 280 M CA 2.295 57.585 55.300 -0.017 0.000 1.100 280 M CB -0.896 31.700 32.600 -0.007 0.000 1.351 280 M HN 0.085 nan 8.290 nan 0.000 0.404 281 M N 0.284 119.885 119.600 0.001 0.000 2.175 281 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 281 M C 2.433 178.770 176.300 0.062 0.000 1.063 281 M CA 1.726 57.067 55.300 0.068 0.000 1.119 281 M CB -1.194 31.397 32.600 -0.016 0.000 1.377 281 M HN 0.475 nan 8.290 nan 0.000 0.415 282 R N 0.319 120.786 120.500 -0.056 0.000 2.073 282 R HA -0.153 4.187 4.340 -0.000 0.000 0.229 282 R C 2.013 178.223 176.300 -0.150 0.000 1.120 282 R CA 1.591 57.607 56.100 -0.141 0.000 0.967 282 R CB -0.204 29.960 30.300 -0.227 0.000 0.862 282 R HN 0.310 nan 8.270 nan 0.000 0.436 283 N N 0.611 119.239 118.700 -0.120 0.000 2.060 283 N HA -0.247 4.493 4.740 -0.000 0.000 0.195 283 N C 1.592 177.034 175.510 -0.114 0.000 1.028 283 N CA 2.054 55.043 53.050 -0.102 0.000 0.861 283 N CB -0.013 38.438 38.487 -0.060 0.000 1.029 283 N HN 0.350 nan 8.380 nan 0.000 0.428 284 Q N -1.186 118.551 119.800 -0.105 0.000 2.163 284 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 284 Q C 1.999 177.744 176.000 -0.425 0.000 0.954 284 Q CA 0.599 56.286 55.803 -0.194 0.000 0.851 284 Q CB -0.120 28.570 28.738 -0.080 0.000 0.928 284 Q HN 0.493 nan 8.270 nan 0.000 0.459 285 M N 1.689 121.030 119.600 -0.432 0.000 2.106 285 M HA -0.171 4.309 4.480 -0.000 0.000 0.259 285 M C 2.017 178.078 176.300 -0.397 0.000 1.068 285 M CA 1.692 56.673 55.300 -0.531 0.000 1.100 285 M CB -0.465 32.001 32.600 -0.223 0.000 1.351 285 M HN 0.304 nan 8.290 nan 0.000 0.404 286 I N -1.643 118.760 120.570 -0.278 0.000 3.334 286 I HA -0.065 4.105 4.170 -0.000 0.000 0.282 286 I C 1.506 177.493 176.117 -0.216 0.000 1.313 286 I CA 1.333 62.501 61.300 -0.219 0.000 1.396 286 I CB -0.980 36.936 38.000 -0.140 0.000 1.054 286 I HN 0.302 nan 8.210 nan 0.000 0.495 287 T N -2.439 111.965 114.554 -0.250 0.000 3.086 287 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 287 T C 1.511 176.041 174.700 -0.284 0.000 1.074 287 T CA -0.147 61.816 62.100 -0.228 0.000 0.988 287 T CB -0.075 68.682 68.868 -0.184 0.000 0.988 287 T HN 0.423 nan 8.240 nan 0.000 0.530 288 R N 0.939 121.210 120.500 -0.381 0.000 2.508 288 R HA 0.319 4.659 4.340 -0.000 0.000 0.300 288 R C -0.123 175.857 176.300 -0.532 0.000 0.970 288 R CA -0.003 55.844 56.100 -0.423 0.000 1.102 288 R CB 1.314 31.309 30.300 -0.508 0.000 1.246 288 R HN 0.432 nan 8.270 nan 0.000 0.539 289 V N -0.771 118.810 119.914 -0.555 0.000 2.383 289 V HA 0.454 4.574 4.120 -0.000 0.000 0.261 289 V C -2.661 173.071 176.094 -0.604 0.000 0.987 289 V CA -2.274 59.582 62.300 -0.740 0.000 0.853 289 V CB 0.698 32.054 31.823 -0.779 0.000 1.095 289 V HN -0.106 nan 8.190 nan 0.000 0.461 290 P HA 0.497 nan 4.420 nan 0.000 0.276 290 P C -0.642 176.341 177.300 -0.528 0.000 1.261 290 P CA -0.315 62.450 63.100 -0.559 0.000 0.800 290 P CB 1.810 33.158 31.700 -0.586 0.000 1.066 291 L N 0.011 121.101 121.223 -0.222 0.000 2.352 291 L HA 0.594 4.934 4.340 -0.000 0.000 0.269 291 L C 1.443 178.378 176.870 0.108 0.000 1.034 291 L CA -0.223 54.592 54.840 -0.042 0.000 0.806 291 L CB 0.584 42.648 42.059 0.009 0.000 1.244 291 L HN 0.475 nan 8.230 nan 0.000 0.447 292 G N -0.246 108.641 108.800 0.145 0.000 2.611 292 G HA2 0.458 4.418 3.960 -0.000 0.000 0.273 292 G HA3 0.458 4.418 3.960 -0.000 0.000 0.273 292 G C -0.833 174.072 174.900 0.009 0.000 1.305 292 G CA -0.351 44.795 45.100 0.077 0.000 1.010 292 G HN 0.494 nan 8.290 nan 0.000 0.509 293 S N -1.554 114.119 115.700 -0.045 0.000 2.532 293 S HA 0.618 5.088 4.470 -0.000 0.000 0.299 293 S C -1.099 173.483 174.600 -0.031 0.000 1.105 293 S CA -0.511 57.689 58.200 0.000 0.000 1.018 293 S CB 1.765 64.977 63.200 0.020 0.000 1.021 293 S HN 0.892 nan 8.310 nan 0.000 0.483 294 V N 4.506 124.456 119.914 0.059 0.000 3.023 294 V HA 0.540 4.660 4.120 -0.000 0.000 0.294 294 V C -2.010 174.240 176.094 0.261 0.000 1.324 294 V CA -0.697 61.669 62.300 0.111 0.000 0.979 294 V CB 1.713 33.542 31.823 0.009 0.000 1.093 294 V HN 0.891 nan 8.190 nan 0.000 0.434 295 I N 5.247 125.978 120.570 0.268 0.000 2.378 295 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 295 I C -0.238 176.111 176.117 0.386 0.000 0.992 295 I CA -0.636 60.840 61.300 0.294 0.000 1.154 295 I CB 1.742 39.856 38.000 0.190 0.000 1.315 295 I HN 0.543 nan 8.210 nan 0.000 0.448 296 K N 5.855 126.516 120.400 0.434 0.000 2.211 296 K HA 0.611 4.931 4.320 -0.000 0.000 0.275 296 K C -1.509 175.210 176.600 0.199 0.000 1.024 296 K CA -0.291 56.229 56.287 0.388 0.000 0.887 296 K CB 1.106 33.904 32.500 0.497 0.000 1.084 296 K HN 0.704 nan 8.250 nan 0.000 0.463 297 C N 5.204 124.579 119.300 0.126 0.000 2.482 297 C HA 0.568 5.028 4.460 -0.000 0.000 0.317 297 C C -0.993 174.049 174.990 0.087 0.000 1.197 297 C CA -1.028 58.059 59.018 0.116 0.000 1.432 297 C CB 0.166 28.074 27.740 0.280 0.000 2.062 297 C HN 0.757 nan 8.230 nan 0.000 0.471 298 I N 3.136 123.722 120.570 0.027 0.000 2.439 298 I HA 0.433 4.603 4.170 -0.000 0.000 0.285 298 I C -0.318 175.821 176.117 0.037 0.000 1.021 298 I CA -0.153 61.123 61.300 -0.039 0.000 1.091 298 I CB 1.502 39.433 38.000 -0.114 0.000 1.242 298 I HN 0.342 nan 8.210 nan 0.000 0.439 299 V N 6.682 126.607 119.914 0.019 0.000 2.394 299 V HA 0.394 4.514 4.120 -0.000 0.000 0.282 299 V C -0.638 175.275 176.094 -0.302 0.000 1.031 299 V CA -0.695 61.622 62.300 0.028 0.000 0.881 299 V CB 0.880 32.763 31.823 0.099 0.000 0.982 299 V HN 0.409 nan 8.190 nan 0.000 0.451 300 Y N 4.036 124.276 120.300 -0.101 0.000 2.387 300 Y HA 0.674 5.224 4.550 -0.000 0.000 0.330 300 Y C -0.275 175.485 175.900 -0.234 0.000 1.133 300 Y CA -0.407 57.686 58.100 -0.012 0.000 1.152 300 Y CB 1.448 39.999 38.460 0.152 0.000 1.215 300 Y HN 0.531 nan 8.280 nan 0.000 0.466 301 Y N -0.109 120.435 120.300 0.407 0.000 2.609 301 Y HA 0.271 4.821 4.550 -0.000 0.000 0.342 301 Y C 1.077 177.122 175.900 0.242 0.000 1.058 301 Y CA -1.400 56.914 58.100 0.356 0.000 1.055 301 Y CB 1.973 40.742 38.460 0.515 0.000 1.292 301 Y HN 0.511 nan 8.280 nan 0.000 0.476 302 K N 0.483 121.100 120.400 0.361 0.000 2.057 302 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 302 K C -0.531 176.144 176.600 0.126 0.000 1.049 302 K CA 1.710 58.106 56.287 0.182 0.000 0.931 302 K CB 0.204 32.783 32.500 0.132 0.000 0.714 302 K HN 0.742 nan 8.250 nan 0.000 0.440 303 E N -0.754 119.537 120.200 0.152 0.000 2.416 303 E HA 0.219 4.569 4.350 -0.000 0.000 0.273 303 E C -2.661 173.809 176.600 -0.216 0.000 0.935 303 E CA -2.352 54.040 56.400 -0.012 0.000 0.784 303 E CB 2.174 31.854 29.700 -0.034 0.000 1.301 303 E HN -0.022 nan 8.360 nan 0.000 0.454 304 P HA 0.047 nan 4.420 nan 0.000 0.225 304 P C 0.172 176.536 177.300 -1.560 0.000 1.813 304 P CA -0.053 62.127 63.100 -1.533 0.000 1.013 304 P CB -0.853 30.241 31.700 -1.010 0.000 1.961 305 F N -0.007 119.391 119.950 -0.920 0.000 2.333 305 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 305 F C 1.770 177.410 175.800 -0.267 0.000 1.083 305 F CA -0.089 57.663 58.000 -0.413 0.000 1.395 305 F CB -1.702 37.183 39.000 -0.191 0.000 1.056 305 F HN 0.128 nan 8.300 nan 0.000 0.529 306 W N 1.366 122.343 121.300 -0.538 0.000 2.374 306 W HA 0.035 4.695 4.660 0.000 0.000 0.288 306 W C 2.031 178.500 176.519 -0.083 0.000 1.218 306 W CA 0.834 58.059 57.345 -0.200 0.000 1.245 306 W CB -1.137 28.142 29.460 -0.302 0.000 1.126 306 W HN -0.147 nan 8.180 nan 0.000 0.545 307 R N 1.252 121.537 120.500 -0.358 0.000 2.127 307 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 307 R C 2.014 178.230 176.300 -0.139 0.000 1.134 307 R CA 1.865 57.850 56.100 -0.191 0.000 0.975 307 R CB -0.447 29.678 30.300 -0.291 0.000 0.865 307 R HN 0.306 nan 8.270 nan 0.000 0.447 308 K N 0.548 120.864 120.400 -0.141 0.000 2.283 308 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 308 K C 1.342 177.874 176.600 -0.114 0.000 1.048 308 K CA 0.967 57.195 56.287 -0.099 0.000 0.948 308 K CB 0.078 32.542 32.500 -0.060 0.000 0.742 308 K HN 0.098 nan 8.250 nan 0.000 0.458 309 K N 0.894 121.198 120.400 -0.161 0.000 2.410 309 K HA -0.025 4.295 4.320 -0.000 0.000 0.200 309 K C -0.563 175.726 176.600 -0.518 0.000 1.023 309 K CA 0.052 56.138 56.287 -0.335 0.000 1.149 309 K CB 0.331 32.574 32.500 -0.428 0.000 0.859 309 K HN 0.007 nan 8.250 nan 0.000 0.514 310 D N 0.257 120.493 120.400 -0.273 0.000 2.800 310 D HA -0.225 4.415 4.640 -0.000 0.000 0.232 310 D C -1.374 174.863 176.300 -0.104 0.000 1.137 310 D CA 0.953 54.850 54.000 -0.172 0.000 0.718 310 D CB -1.326 39.395 40.800 -0.132 0.000 1.084 310 D HN 0.341 nan 8.370 nan 0.000 0.432 311 Y N -0.980 119.358 120.300 0.064 0.000 2.377 311 Y HA 0.328 4.878 4.550 -0.000 0.000 0.339 311 Y C 1.979 177.956 175.900 0.128 0.000 1.011 311 Y CA -0.951 57.191 58.100 0.070 0.000 1.093 311 Y CB 1.329 39.842 38.460 0.089 0.000 1.201 311 Y HN 0.253 nan 8.280 nan 0.000 0.455 312 C N -1.186 118.241 119.300 0.211 0.000 2.563 312 C HA 0.499 4.959 4.460 -0.000 0.000 0.268 312 C C 1.680 176.742 174.990 0.120 0.000 1.365 312 C CA 0.511 59.627 59.018 0.164 0.000 1.754 312 C CB -0.802 26.959 27.740 0.035 0.000 1.932 312 C HN 1.221 nan 8.230 nan 0.000 0.536 313 G N -0.075 108.644 108.800 -0.136 0.000 2.231 313 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.206 313 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.206 313 G C 0.034 174.616 174.900 -0.531 0.000 0.996 313 G CA 0.174 44.887 45.100 -0.644 0.000 0.645 313 G HN 0.554 nan 8.290 nan 0.000 0.498 314 T N 2.424 116.762 114.554 -0.359 0.000 2.814 314 T HA 0.624 4.974 4.350 -0.000 0.000 0.297 314 T C 0.294 174.793 174.700 -0.334 0.000 0.956 314 T CA 0.594 62.456 62.100 -0.397 0.000 1.123 314 T CB 0.828 69.524 68.868 -0.288 0.000 0.902 314 T HN 0.298 nan 8.240 nan 0.000 0.528 315 M N 3.980 123.354 119.600 -0.375 0.000 2.327 315 M HA 0.491 4.971 4.480 -0.000 0.000 0.298 315 M C -0.906 175.392 176.300 -0.003 0.000 1.065 315 M CA -0.590 54.617 55.300 -0.155 0.000 0.916 315 M CB 2.269 34.757 32.600 -0.188 0.000 1.630 315 M HN 0.407 nan 8.290 nan 0.000 0.442 316 I N 4.644 125.370 120.570 0.261 0.000 2.354 316 I HA 0.452 4.622 4.170 -0.000 0.000 0.286 316 I C -0.830 175.551 176.117 0.440 0.000 1.007 316 I CA -0.325 61.230 61.300 0.425 0.000 1.167 316 I CB 0.943 39.205 38.000 0.437 0.000 1.320 316 I HN 0.609 nan 8.210 nan 0.000 0.458 317 I N 5.311 126.094 120.570 0.356 0.000 2.420 317 I HA 0.283 4.453 4.170 -0.000 0.000 0.282 317 I C -0.316 175.973 176.117 0.286 0.000 1.019 317 I CA -0.526 60.958 61.300 0.307 0.000 1.130 317 I CB 1.323 39.442 38.000 0.199 0.000 1.262 317 I HN 0.469 nan 8.210 nan 0.000 0.454 318 D N 4.330 124.904 120.400 0.289 0.000 2.354 318 D HA 0.651 5.291 4.640 -0.000 0.000 0.247 318 D C 0.229 176.640 176.300 0.184 0.000 1.138 318 D CA 0.616 54.754 54.000 0.229 0.000 0.958 318 D CB 1.852 42.778 40.800 0.209 0.000 1.144 318 D HN 0.794 nan 8.370 nan 0.000 0.458 319 G N 1.395 110.284 108.800 0.149 0.000 2.650 319 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 319 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 319 G C 0.454 175.426 174.900 0.121 0.000 1.205 319 G CA 0.195 45.369 45.100 0.123 0.000 0.781 319 G HN 0.452 nan 8.290 nan 0.000 0.648 320 E N 0.263 120.529 120.200 0.110 0.000 2.106 320 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 320 E C 2.166 178.827 176.600 0.103 0.000 0.984 320 E CA 2.451 58.926 56.400 0.125 0.000 0.806 320 E CB -0.042 29.727 29.700 0.117 0.000 0.750 320 E HN 0.686 nan 8.360 nan 0.000 0.458 321 E N 0.318 120.569 120.200 0.085 0.000 2.208 321 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 321 E C 0.332 176.964 176.600 0.054 0.000 0.988 321 E CA 0.792 57.231 56.400 0.065 0.000 0.828 321 E CB -0.196 29.539 29.700 0.058 0.000 0.763 321 E HN 0.285 nan 8.360 nan 0.000 0.478 322 A N 2.496 125.358 122.820 0.069 0.000 2.451 322 A HA 0.161 4.481 4.320 -0.000 0.000 0.266 322 A C -1.427 176.184 177.584 0.045 0.000 1.119 322 A CA -1.160 50.910 52.037 0.056 0.000 0.786 322 A CB 0.200 19.253 19.000 0.089 0.000 1.061 322 A HN -0.018 nan 8.150 nan 0.000 0.503 323 P HA -0.030 nan 4.420 nan 0.000 0.219 323 P C 0.226 177.559 177.300 0.055 0.000 1.150 323 P CA 0.900 64.010 63.100 0.016 0.000 0.814 323 P CB 0.104 31.798 31.700 -0.011 0.000 0.787 324 V N 0.331 120.298 119.914 0.088 0.000 2.417 324 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 324 V C 1.145 177.354 176.094 0.191 0.000 1.024 324 V CA -0.132 62.267 62.300 0.165 0.000 0.861 324 V CB 1.277 33.229 31.823 0.216 0.000 0.985 324 V HN -0.017 nan 8.190 nan 0.000 0.436 325 A N 4.581 127.539 122.820 0.230 0.000 2.220 325 A HA 0.329 4.649 4.320 -0.000 0.000 0.211 325 A C 0.123 177.924 177.584 0.361 0.000 1.176 325 A CA 0.492 52.685 52.037 0.259 0.000 0.834 325 A CB 0.164 19.300 19.000 0.227 0.000 0.868 325 A HN 0.733 nan 8.150 nan 0.000 0.488 326 Y N -0.123 120.294 120.300 0.196 0.000 2.482 326 Y HA 0.478 5.028 4.550 -0.000 0.000 0.334 326 Y C -0.424 175.524 175.900 0.081 0.000 1.091 326 Y CA -0.415 57.785 58.100 0.167 0.000 1.027 326 Y CB 1.650 40.255 38.460 0.241 0.000 1.306 326 Y HN 0.120 nan 8.280 nan 0.000 0.446 327 T N 3.885 118.105 114.554 -0.556 0.000 2.896 327 T HA 0.859 5.209 4.350 -0.000 0.000 0.297 327 T C -1.526 172.739 174.700 -0.726 0.000 1.108 327 T CA -0.822 60.953 62.100 -0.541 0.000 1.004 327 T CB 1.792 70.337 68.868 -0.540 0.000 1.159 327 T HN 0.603 nan 8.240 nan 0.000 0.499 328 L N 1.009 121.934 121.223 -0.495 0.000 2.371 328 L HA 0.527 4.867 4.340 -0.000 0.000 0.262 328 L C -0.553 176.122 176.870 -0.325 0.000 1.006 328 L CA -1.281 53.330 54.840 -0.382 0.000 0.818 328 L CB 2.114 44.032 42.059 -0.235 0.000 1.354 328 L HN 0.730 nan 8.230 nan 0.000 0.415 329 D N 0.814 121.065 120.400 -0.250 0.000 2.434 329 D HA -0.042 4.598 4.640 -0.000 0.000 0.252 329 D C -0.232 176.084 176.300 0.026 0.000 1.185 329 D CA 0.536 54.466 54.000 -0.118 0.000 0.886 329 D CB 1.146 42.005 40.800 0.099 0.000 1.148 329 D HN 0.486 nan 8.370 nan 0.000 0.483 330 D N 1.975 122.393 120.400 0.030 0.000 2.424 330 D HA 0.072 4.712 4.640 -0.000 0.000 0.220 330 D C -0.278 176.104 176.300 0.137 0.000 1.150 330 D CA -0.126 53.923 54.000 0.082 0.000 0.831 330 D CB 0.354 41.142 40.800 -0.019 0.000 0.981 330 D HN 0.239 nan 8.370 nan 0.000 0.500 331 T N 1.404 116.077 114.554 0.199 0.000 2.932 331 T HA 0.037 4.387 4.350 -0.000 0.000 0.312 331 T C 0.580 175.343 174.700 0.104 0.000 1.071 331 T CA -0.141 62.069 62.100 0.183 0.000 1.128 331 T CB 0.848 69.827 68.868 0.186 0.000 0.984 331 T HN -0.070 nan 8.240 nan 0.000 0.549 332 K N 3.412 123.839 120.400 0.045 0.000 2.276 332 K HA 0.100 4.420 4.320 -0.000 0.000 0.259 332 K C -1.433 175.044 176.600 -0.204 0.000 1.001 332 K CA -1.875 54.336 56.287 -0.126 0.000 0.927 332 K CB 0.166 32.633 32.500 -0.054 0.000 0.969 332 K HN 0.330 nan 8.250 nan 0.000 0.490 333 P HA -0.098 nan 4.420 nan 0.000 0.222 333 P C 0.276 177.505 177.300 -0.119 0.000 1.147 333 P CA 1.235 64.134 63.100 -0.335 0.000 0.790 333 P CB 0.343 31.755 31.700 -0.481 0.000 0.780 334 E N -0.839 119.310 120.200 -0.085 0.000 2.427 334 E HA 0.146 4.496 4.350 -0.000 0.000 0.196 334 E C 1.566 178.157 176.600 -0.015 0.000 1.028 334 E CA 0.956 57.342 56.400 -0.024 0.000 0.864 334 E CB -0.792 28.914 29.700 0.011 0.000 0.813 334 E HN 0.300 nan 8.360 nan 0.000 0.514 335 G N 0.669 109.460 108.800 -0.015 0.000 2.176 335 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.232 335 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.232 335 G C 0.097 174.990 174.900 -0.012 0.000 0.986 335 G CA 0.225 45.314 45.100 -0.019 0.000 0.643 335 G HN 0.363 nan 8.290 nan 0.000 0.522 336 N N -0.719 117.996 118.700 0.024 0.000 2.563 336 N HA 0.538 5.278 4.740 -0.000 0.000 0.288 336 N C 0.482 176.083 175.510 0.151 0.000 1.246 336 N CA -0.937 52.110 53.050 -0.004 0.000 0.946 336 N CB 0.028 38.445 38.487 -0.116 0.000 1.213 336 N HN 0.596 nan 8.380 nan 0.000 0.578 337 Y N -2.507 117.821 120.300 0.048 0.000 3.037 337 Y HA -0.167 4.383 4.550 -0.000 0.000 0.204 337 Y C 0.651 176.684 175.900 0.221 0.000 1.275 337 Y CA 0.298 58.479 58.100 0.135 0.000 1.066 337 Y CB -2.371 36.135 38.460 0.077 0.000 1.305 337 Y HN 0.754 nan 8.280 nan 0.000 0.499 338 A N 0.307 123.283 122.820 0.261 0.000 2.587 338 A HA 0.533 4.853 4.320 -0.000 0.000 0.235 338 A C 0.760 178.585 177.584 0.401 0.000 1.044 338 A CA 0.659 52.863 52.037 0.278 0.000 0.754 338 A CB 0.079 19.174 19.000 0.157 0.000 0.968 338 A HN 1.565 nan 8.150 nan 0.000 0.509 339 A N 2.359 125.427 122.820 0.413 0.000 2.605 339 A HA 0.628 4.948 4.320 -0.000 0.000 0.294 339 A C -1.012 176.581 177.584 0.014 0.000 1.062 339 A CA -0.545 51.554 52.037 0.103 0.000 0.682 339 A CB 0.954 19.680 19.000 -0.457 0.000 1.278 339 A HN 0.735 nan 8.150 nan 0.000 0.410 340 I N 2.376 122.841 120.570 -0.175 0.000 2.406 340 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 340 I C -0.222 175.740 176.117 -0.260 0.000 0.999 340 I CA -0.393 60.668 61.300 -0.398 0.000 1.124 340 I CB 1.675 39.283 38.000 -0.652 0.000 1.289 340 I HN 0.753 nan 8.210 nan 0.000 0.441 341 M N 5.560 125.004 119.600 -0.259 0.000 2.188 341 M HA 0.600 5.080 4.480 -0.000 0.000 0.357 341 M C -0.314 175.834 176.300 -0.252 0.000 1.204 341 M CA -0.125 55.053 55.300 -0.204 0.000 1.095 341 M CB 1.148 33.650 32.600 -0.163 0.000 1.604 341 M HN 0.718 nan 8.290 nan 0.000 0.464 342 G N 4.290 113.000 108.800 -0.151 0.000 2.563 342 G HA2 0.708 4.668 3.960 -0.000 0.000 0.302 342 G HA3 0.708 4.668 3.960 -0.000 0.000 0.302 342 G C -1.963 172.878 174.900 -0.099 0.000 1.301 342 G CA -0.548 44.497 45.100 -0.091 0.000 0.965 342 G HN 0.649 nan 8.290 nan 0.000 0.480 343 F N 0.365 120.452 119.950 0.227 0.000 2.436 343 F HA 0.501 5.028 4.527 0.000 0.000 0.340 343 F C 0.487 176.391 175.800 0.172 0.000 1.113 343 F CA -0.738 57.395 58.000 0.223 0.000 1.022 343 F CB 2.273 41.428 39.000 0.258 0.000 1.128 343 F HN 0.053 nan 8.300 nan 0.000 0.466 344 I N 5.149 125.921 120.570 0.336 0.000 2.297 344 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 344 I C -0.711 175.491 176.117 0.141 0.000 1.033 344 I CA -0.292 61.122 61.300 0.190 0.000 1.253 344 I CB 0.768 38.852 38.000 0.140 0.000 1.396 344 I HN 0.384 nan 8.210 nan 0.000 0.476 345 L N 6.566 127.831 121.223 0.071 0.000 2.317 345 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 345 L C 0.922 177.751 176.870 -0.068 0.000 1.024 345 L CA -0.172 54.669 54.840 0.002 0.000 0.810 345 L CB 1.527 43.595 42.059 0.014 0.000 1.240 345 L HN 0.904 nan 8.230 nan 0.000 0.427 346 A N 2.122 124.896 122.820 -0.076 0.000 5.382 346 A HA -0.362 3.958 4.320 -0.000 0.000 0.307 346 A C 1.687 179.260 177.584 -0.018 0.000 1.937 346 A CA 1.437 53.438 52.037 -0.061 0.000 0.715 346 A CB -1.600 17.362 19.000 -0.063 0.000 1.293 346 A HN 1.086 nan 8.150 nan 0.000 0.374 347 H N 1.102 120.165 119.070 -0.012 0.000 2.457 347 H HA -0.070 4.486 4.556 -0.000 0.000 0.297 347 H C 1.647 176.993 175.328 0.031 0.000 1.092 347 H CA 1.895 57.954 56.048 0.018 0.000 1.309 347 H CB -0.394 29.388 29.762 0.033 0.000 1.382 347 H HN 0.744 nan 8.280 nan 0.000 0.535 348 K N 0.751 120.823 120.400 -0.547 0.000 2.211 348 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 348 K C 2.581 179.128 176.600 -0.088 0.000 1.050 348 K CA 0.884 56.980 56.287 -0.319 0.000 0.945 348 K CB 0.018 32.343 32.500 -0.291 0.000 0.732 348 K HN 0.336 nan 8.250 nan 0.000 0.451 349 A N 1.559 124.354 122.820 -0.043 0.000 1.933 349 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 349 A C 2.090 179.692 177.584 0.031 0.000 1.175 349 A CA 1.335 53.386 52.037 0.023 0.000 0.628 349 A CB -0.269 18.757 19.000 0.045 0.000 0.814 349 A HN 0.127 nan 8.150 nan 0.000 0.444 350 R N -0.299 120.219 120.500 0.032 0.000 2.062 350 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 350 R C 2.320 178.647 176.300 0.045 0.000 1.128 350 R CA 1.709 57.837 56.100 0.046 0.000 0.960 350 R CB -0.299 30.040 30.300 0.065 0.000 0.855 350 R HN 0.627 nan 8.270 nan 0.000 0.432 351 K N 0.611 121.039 120.400 0.047 0.000 2.026 351 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 351 K C 1.524 178.144 176.600 0.033 0.000 1.048 351 K CA 1.396 57.714 56.287 0.051 0.000 0.929 351 K CB -0.031 32.512 32.500 0.071 0.000 0.713 351 K HN 0.147 nan 8.250 nan 0.000 0.439 352 L N 0.280 121.517 121.223 0.023 0.000 2.558 352 L HA 0.112 4.452 4.340 -0.000 0.000 0.225 352 L C 2.231 179.120 176.870 0.031 0.000 1.128 352 L CA 0.223 55.077 54.840 0.024 0.000 0.868 352 L CB -0.073 41.999 42.059 0.021 0.000 1.006 352 L HN 0.223 nan 8.230 nan 0.000 0.454 353 A N 0.531 123.371 122.820 0.033 0.000 2.067 353 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 353 A C 2.411 180.011 177.584 0.026 0.000 1.158 353 A CA 1.208 53.265 52.037 0.033 0.000 0.661 353 A CB -0.488 18.530 19.000 0.031 0.000 0.801 353 A HN 0.373 nan 8.150 nan 0.000 0.452 354 R N -0.529 119.985 120.500 0.024 0.000 2.193 354 R HA 0.015 4.355 4.340 -0.000 0.000 0.229 354 R C 0.212 176.523 176.300 0.017 0.000 1.110 354 R CA 0.340 56.451 56.100 0.019 0.000 0.988 354 R CB -0.381 29.930 30.300 0.019 0.000 0.871 354 R HN 0.505 nan 8.270 nan 0.000 0.458 355 L N 0.614 121.849 121.223 0.020 0.000 2.475 355 L HA 0.157 4.497 4.340 -0.000 0.000 0.253 355 L C 0.848 177.731 176.870 0.022 0.000 1.198 355 L CA -0.490 54.360 54.840 0.017 0.000 0.814 355 L CB 0.799 42.866 42.059 0.013 0.000 1.134 355 L HN 0.170 nan 8.230 nan 0.000 0.478 356 T N -2.780 111.785 114.554 0.018 0.000 2.849 356 T HA 0.116 4.466 4.350 -0.000 0.000 0.284 356 T C 0.879 175.605 174.700 0.044 0.000 1.004 356 T CA -0.663 61.452 62.100 0.026 0.000 1.021 356 T CB 1.274 70.152 68.868 0.018 0.000 1.013 356 T HN 0.674 nan 8.240 nan 0.000 0.527 357 K N 0.374 120.816 120.400 0.069 0.000 2.074 357 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 357 K C 1.925 178.579 176.600 0.090 0.000 1.048 357 K CA 1.942 58.314 56.287 0.142 0.000 0.926 357 K CB -0.211 32.379 32.500 0.150 0.000 0.713 357 K HN 0.688 nan 8.250 nan 0.000 0.444 358 E N 0.734 120.953 120.200 0.032 0.000 2.110 358 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 358 E C 1.805 178.364 176.600 -0.068 0.000 0.988 358 E CA 1.483 57.865 56.400 -0.029 0.000 0.804 358 E CB 0.001 29.695 29.700 -0.011 0.000 0.745 358 E HN 0.422 nan 8.360 nan 0.000 0.458 359 E N 0.231 120.408 120.200 -0.038 0.000 2.072 359 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 359 E C 2.134 178.691 176.600 -0.073 0.000 0.985 359 E CA 0.738 57.110 56.400 -0.046 0.000 0.801 359 E CB -0.028 29.660 29.700 -0.020 0.000 0.750 359 E HN 0.123 nan 8.360 nan 0.000 0.452 360 R N 0.297 120.762 120.500 -0.059 0.000 2.081 360 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 360 R C 2.476 178.631 176.300 -0.241 0.000 1.131 360 R CA 0.864 56.918 56.100 -0.076 0.000 0.960 360 R CB -0.378 29.947 30.300 0.042 0.000 0.856 360 R HN 0.130 nan 8.270 nan 0.000 0.436 361 L N 1.806 122.769 121.223 -0.434 0.000 2.012 361 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 361 L C 2.215 178.863 176.870 -0.370 0.000 1.073 361 L CA 1.915 56.331 54.840 -0.707 0.000 0.748 361 L CB -0.475 41.110 42.059 -0.791 0.000 0.891 361 L HN 0.007 nan 8.230 nan 0.000 0.431 362 K N -0.486 119.775 120.400 -0.231 0.000 2.026 362 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 362 K C 2.160 178.670 176.600 -0.150 0.000 1.048 362 K CA 1.734 57.932 56.287 -0.149 0.000 0.929 362 K CB -0.106 32.337 32.500 -0.095 0.000 0.713 362 K HN 0.341 nan 8.250 nan 0.000 0.439 363 K N 0.181 120.491 120.400 -0.151 0.000 2.063 363 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 363 K C 2.099 178.563 176.600 -0.226 0.000 1.048 363 K CA 1.272 57.473 56.287 -0.142 0.000 0.928 363 K CB -0.119 32.320 32.500 -0.101 0.000 0.713 363 K HN 0.060 nan 8.250 nan 0.000 0.442 364 L N 0.696 121.728 121.223 -0.318 0.000 2.056 364 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 364 L C 2.434 178.877 176.870 -0.713 0.000 1.078 364 L CA 1.485 55.969 54.840 -0.593 0.000 0.749 364 L CB -0.631 41.098 42.059 -0.549 0.000 0.901 364 L HN 0.231 nan 8.230 nan 0.000 0.433 365 C N -0.703 118.388 119.300 -0.349 0.000 2.429 365 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 365 C C 2.646 177.600 174.990 -0.059 0.000 1.262 365 C CA 0.522 59.482 59.018 -0.097 0.000 1.733 365 C CB -0.723 27.020 27.740 0.005 0.000 2.010 365 C HN 0.547 nan 8.230 nan 0.000 0.483 366 E N 0.350 120.490 120.200 -0.100 0.000 2.077 366 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 366 E C 1.995 178.558 176.600 -0.061 0.000 0.989 366 E CA 0.969 57.335 56.400 -0.056 0.000 0.800 366 E CB -0.278 29.390 29.700 -0.053 0.000 0.746 366 E HN 0.507 nan 8.360 nan 0.000 0.452 367 L N 0.453 121.595 121.223 -0.136 0.000 1.989 367 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 367 L C 2.033 178.908 176.870 0.009 0.000 1.071 367 L CA 1.783 56.557 54.840 -0.110 0.000 0.749 367 L CB -0.623 41.332 42.059 -0.174 0.000 0.890 367 L HN 0.215 nan 8.230 nan 0.000 0.431 368 Y N -0.851 119.435 120.300 -0.022 0.000 2.274 368 Y HA -0.215 4.335 4.550 -0.000 0.000 0.290 368 Y C 2.506 178.418 175.900 0.020 0.000 1.145 368 Y CA 0.215 58.306 58.100 -0.014 0.000 1.203 368 Y CB -0.499 37.992 38.460 0.051 0.000 0.984 368 Y HN 0.394 nan 8.280 nan 0.000 0.533 369 A N 0.812 123.740 122.820 0.180 0.000 1.902 369 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 369 A C 2.084 179.716 177.584 0.079 0.000 1.181 369 A CA 1.783 53.889 52.037 0.114 0.000 0.623 369 A CB -0.436 18.600 19.000 0.061 0.000 0.818 369 A HN 0.387 nan 8.150 nan 0.000 0.443 370 K N -0.588 119.836 120.400 0.040 0.000 2.025 370 K HA -0.025 4.295 4.320 -0.000 0.000 0.207 370 K C 1.863 178.458 176.600 -0.008 0.000 1.049 370 K CA 1.375 57.673 56.287 0.019 0.000 0.933 370 K CB -0.319 32.176 32.500 -0.009 0.000 0.714 370 K HN 0.288 nan 8.250 nan 0.000 0.438 371 V N 1.690 121.540 119.914 -0.107 0.000 2.379 371 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 371 V C 2.014 178.068 176.094 -0.067 0.000 1.044 371 V CA 1.503 63.695 62.300 -0.181 0.000 1.036 371 V CB -0.355 31.316 31.823 -0.255 0.000 0.664 371 V HN 0.256 nan 8.190 nan 0.000 0.453 372 L N 0.507 121.730 121.223 0.001 0.000 2.554 372 L HA 0.276 4.616 4.340 -0.000 0.000 0.226 372 L C 1.607 178.628 176.870 0.251 0.000 1.137 372 L CA 0.739 55.633 54.840 0.089 0.000 0.863 372 L CB -0.744 41.448 42.059 0.222 0.000 0.985 372 L HN 0.542 nan 8.230 nan 0.000 0.451 373 G N 0.876 109.776 108.800 0.167 0.000 2.338 373 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.296 373 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.296 373 G C 0.089 175.079 174.900 0.151 0.000 1.040 373 G CA 0.637 45.832 45.100 0.158 0.000 1.004 373 G HN 0.349 nan 8.290 nan 0.000 0.509 374 S N -1.125 114.651 115.700 0.126 0.000 2.614 374 S HA 0.545 5.015 4.470 -0.000 0.000 0.275 374 S C 1.217 175.779 174.600 -0.063 0.000 1.161 374 S CA -0.629 57.599 58.200 0.046 0.000 0.969 374 S CB 0.950 64.218 63.200 0.113 0.000 1.059 374 S HN 0.422 nan 8.310 nan 0.000 0.482 375 L N 3.786 124.952 121.223 -0.094 0.000 2.362 375 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 375 L C 2.146 178.891 176.870 -0.208 0.000 1.134 375 L CA 0.961 55.738 54.840 -0.105 0.000 0.807 375 L CB -0.300 41.717 42.059 -0.070 0.000 0.927 375 L HN 0.739 nan 8.230 nan 0.000 0.447 376 E N 0.645 120.579 120.200 -0.442 0.000 2.265 376 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 376 E C 2.224 178.398 176.600 -0.709 0.000 0.996 376 E CA 0.941 56.916 56.400 -0.709 0.000 0.832 376 E CB -0.050 28.890 29.700 -1.266 0.000 0.756 376 E HN 0.516 nan 8.360 nan 0.000 0.491 377 A N 1.015 123.512 122.820 -0.538 0.000 2.121 377 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 377 A C 1.985 179.728 177.584 0.266 0.000 1.154 377 A CA 0.651 52.682 52.037 -0.010 0.000 0.679 377 A CB -0.330 18.808 19.000 0.230 0.000 0.795 377 A HN 0.150 nan 8.150 nan 0.000 0.458 378 L N -0.365 120.919 121.223 0.100 0.000 2.599 378 L HA 0.072 4.412 4.340 -0.000 0.000 0.230 378 L C 0.173 177.119 176.870 0.127 0.000 1.141 378 L CA 0.169 55.070 54.840 0.102 0.000 0.877 378 L CB -0.041 42.036 42.059 0.030 0.000 1.009 378 L HN 0.212 nan 8.230 nan 0.000 0.447 379 E N 1.103 121.427 120.200 0.206 0.000 3.312 379 E HA 0.267 4.617 4.350 -0.000 0.000 0.215 379 E C -2.267 174.501 176.600 0.279 0.000 1.160 379 E CA -1.714 54.799 56.400 0.188 0.000 1.267 379 E CB 0.262 30.036 29.700 0.123 0.000 1.361 379 E HN 0.139 nan 8.360 nan 0.000 0.433 380 P HA -0.000 nan 4.420 nan 0.000 0.269 380 P C 1.100 178.433 177.300 0.055 0.000 1.209 380 P CA -0.076 62.996 63.100 -0.047 0.000 0.776 380 P CB 1.415 33.042 31.700 -0.122 0.000 0.876 381 V N -1.740 118.224 119.914 0.083 0.000 3.644 381 V HA 0.298 4.418 4.120 -0.000 0.000 0.267 381 V C 0.510 176.733 176.094 0.216 0.000 1.277 381 V CA 0.775 63.161 62.300 0.143 0.000 1.096 381 V CB -1.224 30.688 31.823 0.148 0.000 0.828 381 V HN 0.695 nan 8.190 nan 0.000 0.446 382 H N -1.152 117.991 119.070 0.121 0.000 2.987 382 H HA 0.613 5.169 4.556 -0.000 0.000 0.316 382 H C -2.309 173.224 175.328 0.342 0.000 1.380 382 H CA -0.724 55.411 56.048 0.145 0.000 1.160 382 H CB 1.906 31.655 29.762 -0.022 0.000 1.865 382 H HN 0.139 nan 8.280 nan 0.000 0.521 383 Y N 1.669 121.685 120.300 -0.474 0.000 2.441 383 Y HA 0.500 5.050 4.550 -0.000 0.000 0.334 383 Y C -1.667 174.113 175.900 -0.200 0.000 1.061 383 Y CA -0.669 57.344 58.100 -0.146 0.000 1.032 383 Y CB 1.701 40.090 38.460 -0.118 0.000 1.266 383 Y HN 0.624 nan 8.280 nan 0.000 0.441 384 E N 4.497 124.464 120.200 -0.389 0.000 2.288 384 E HA 0.435 4.785 4.350 -0.000 0.000 0.268 384 E C -1.398 174.849 176.600 -0.589 0.000 0.885 384 E CA -0.776 55.396 56.400 -0.380 0.000 0.767 384 E CB 2.712 32.419 29.700 0.013 0.000 1.220 384 E HN 0.784 nan 8.360 nan 0.000 0.427 385 E N 0.381 120.333 120.200 -0.412 0.000 2.412 385 E HA 0.657 5.007 4.350 -0.000 0.000 0.279 385 E C -1.208 175.344 176.600 -0.080 0.000 0.984 385 E CA -1.060 55.199 56.400 -0.236 0.000 0.788 385 E CB 2.558 32.096 29.700 -0.271 0.000 1.277 385 E HN 0.172 nan 8.360 nan 0.000 0.455 386 K N 1.286 121.686 120.400 0.000 0.000 2.581 386 K HA 0.269 4.589 4.320 -0.000 0.000 0.249 386 K C -1.614 174.941 176.600 -0.076 0.000 0.966 386 K CA -0.739 55.486 56.287 -0.104 0.000 0.811 386 K CB 1.489 33.895 32.500 -0.157 0.000 1.223 386 K HN 0.522 nan 8.250 nan 0.000 0.438 387 N N 4.093 122.712 118.700 -0.134 0.000 2.462 387 N HA 0.104 4.844 4.740 -0.000 0.000 0.242 387 N C -0.221 175.226 175.510 -0.106 0.000 1.010 387 N CA -0.385 52.651 53.050 -0.023 0.000 0.939 387 N CB 0.342 38.827 38.487 -0.002 0.000 1.127 387 N HN 0.647 nan 8.380 nan 0.000 0.509 388 W N 2.195 123.536 121.300 0.069 0.000 2.699 388 W HA 0.041 4.701 4.660 -0.000 0.000 0.249 388 W C 1.953 178.491 176.519 0.032 0.000 1.280 388 W CA -0.083 57.297 57.345 0.058 0.000 1.345 388 W CB -0.161 29.349 29.460 0.083 0.000 1.128 388 W HN 0.587 nan 8.180 nan 0.000 0.642 389 C N -0.315 119.091 119.300 0.177 0.000 2.419 389 C HA -0.139 4.321 4.460 -0.000 0.000 0.283 389 C C 2.066 177.085 174.990 0.048 0.000 1.373 389 C CA 0.812 59.892 59.018 0.103 0.000 1.781 389 C CB -1.162 26.621 27.740 0.072 0.000 1.886 389 C HN 0.371 nan 8.230 nan 0.000 0.520 390 E N 0.552 120.757 120.200 0.008 0.000 2.435 390 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 390 E C 0.345 176.918 176.600 -0.046 0.000 1.029 390 E CA 0.341 56.720 56.400 -0.035 0.000 0.865 390 E CB 0.042 29.697 29.700 -0.076 0.000 0.833 390 E HN 0.605 nan 8.360 nan 0.000 0.510 391 E N 1.477 121.669 120.200 -0.013 0.000 2.129 391 E HA -0.031 4.319 4.350 -0.000 0.000 0.283 391 E C 0.478 177.061 176.600 -0.029 0.000 1.080 391 E CA 0.097 56.493 56.400 -0.007 0.000 0.867 391 E CB 1.308 31.063 29.700 0.092 0.000 1.056 391 E HN 0.243 nan 8.360 nan 0.000 0.404 392 Q N 2.950 122.670 119.800 -0.132 0.000 2.152 392 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 392 Q C 0.374 176.145 176.000 -0.382 0.000 0.985 392 Q CA 1.711 57.318 55.803 -0.327 0.000 0.863 392 Q CB 0.070 28.472 28.738 -0.560 0.000 0.904 392 Q HN 0.603 nan 8.270 nan 0.000 0.422 393 Y N -1.029 119.298 120.300 0.046 0.000 2.524 393 Y HA 0.250 4.800 4.550 -0.000 0.000 0.266 393 Y C 1.550 177.508 175.900 0.097 0.000 1.180 393 Y CA -0.265 57.870 58.100 0.060 0.000 1.244 393 Y CB 0.896 39.384 38.460 0.046 0.000 1.125 393 Y HN 0.077 nan 8.280 nan 0.000 0.524 394 S N -1.572 114.253 115.700 0.209 0.000 2.807 394 S HA 0.278 4.748 4.470 -0.000 0.000 0.247 394 S C 1.874 176.555 174.600 0.135 0.000 1.078 394 S CA 0.613 58.940 58.200 0.212 0.000 0.867 394 S CB 0.559 63.962 63.200 0.338 0.000 0.797 394 S HN 0.551 nan 8.310 nan 0.000 0.515 395 G N 0.978 109.838 108.800 0.101 0.000 2.217 395 G HA2 0.071 4.031 3.960 -0.000 0.000 0.246 395 G HA3 0.071 4.031 3.960 -0.000 0.000 0.246 395 G C 0.484 175.430 174.900 0.075 0.000 0.990 395 G CA 0.040 45.170 45.100 0.050 0.000 0.627 395 G HN 1.353 nan 8.290 nan 0.000 0.522 396 G N -2.299 106.586 108.800 0.142 0.000 2.352 396 G HA2 0.513 4.473 3.960 -0.000 0.000 0.283 396 G HA3 0.513 4.473 3.960 -0.000 0.000 0.283 396 G C -1.017 173.972 174.900 0.148 0.000 1.308 396 G CA 0.334 45.530 45.100 0.160 0.000 0.892 396 G HN 1.446 nan 8.290 nan 0.000 0.504 397 C N -1.539 117.799 119.300 0.064 0.000 3.239 397 C HA 0.623 5.083 4.460 -0.000 0.000 0.317 397 C C 0.742 175.592 174.990 -0.234 0.000 1.310 397 C CA -0.615 58.364 59.018 -0.066 0.000 1.371 397 C CB 0.878 28.473 27.740 -0.241 0.000 1.714 397 C HN 0.707 nan 8.230 nan 0.000 0.473 398 Y N 0.615 120.855 120.300 -0.100 0.000 2.337 398 Y HA 0.231 4.781 4.550 -0.000 0.000 0.293 398 Y C 1.581 177.457 175.900 -0.040 0.000 1.123 398 Y CA 1.061 59.073 58.100 -0.146 0.000 1.201 398 Y CB -0.357 37.999 38.460 -0.173 0.000 1.011 398 Y HN 0.684 nan 8.280 nan 0.000 0.545 399 T N -1.911 112.748 114.554 0.174 0.000 2.665 399 T HA 0.334 4.684 4.350 -0.000 0.000 0.303 399 T C -0.852 173.967 174.700 0.199 0.000 1.334 399 T CA -0.706 61.534 62.100 0.234 0.000 1.011 399 T CB 1.034 70.136 68.868 0.391 0.000 1.573 399 T HN -0.164 nan 8.240 nan 0.000 0.492 400 T N 2.714 117.397 114.554 0.216 0.000 2.851 400 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 400 T C -0.791 173.935 174.700 0.042 0.000 0.977 400 T CA 0.045 62.170 62.100 0.041 0.000 1.126 400 T CB -0.403 68.484 68.868 0.032 0.000 0.916 400 T HN 0.466 nan 8.240 nan 0.000 0.529 401 Y N 0.947 121.034 120.300 -0.354 0.000 2.528 401 Y HA 0.792 5.342 4.550 -0.000 0.000 0.335 401 Y C -1.223 174.114 175.900 -0.939 0.000 1.093 401 Y CA -2.229 55.292 58.100 -0.965 0.000 1.134 401 Y CB 0.757 38.775 38.460 -0.737 0.000 1.253 401 Y HN 0.396 nan 8.280 nan 0.000 0.478 402 F N 3.280 122.491 119.950 -1.231 0.000 2.388 402 F HA 0.567 5.094 4.527 -0.000 0.000 0.358 402 F C -2.297 173.423 175.800 -0.133 0.000 1.122 402 F CA -2.724 54.933 58.000 -0.571 0.000 1.056 402 F CB 1.452 40.179 39.000 -0.457 0.000 1.155 402 F HN 0.362 nan 8.300 nan 0.000 0.461 403 P HA 0.133 nan 4.420 nan 0.000 0.273 403 P C -2.557 174.849 177.300 0.176 0.000 1.250 403 P CA -1.213 61.974 63.100 0.147 0.000 0.793 403 P CB -0.112 31.622 31.700 0.057 0.000 1.011 404 P HA -0.010 nan 4.420 nan 0.000 0.265 404 P C 0.819 178.215 177.300 0.160 0.000 1.193 404 P CA 1.094 64.301 63.100 0.178 0.000 0.765 404 P CB 0.024 31.812 31.700 0.146 0.000 0.823 405 G N 2.895 111.803 108.800 0.181 0.000 2.217 405 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 405 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 405 G C 0.794 175.815 174.900 0.201 0.000 0.990 405 G CA 0.069 45.266 45.100 0.161 0.000 0.627 405 G HN 0.437 nan 8.290 nan 0.000 0.522 406 I N 0.161 120.884 120.570 0.256 0.000 2.494 406 I HA 0.174 4.344 4.170 -0.000 0.000 0.250 406 I C 2.603 178.978 176.117 0.430 0.000 1.112 406 I CA 1.227 62.737 61.300 0.349 0.000 1.438 406 I CB -1.101 37.028 38.000 0.216 0.000 1.111 406 I HN 0.273 nan 8.210 nan 0.000 0.431 407 L N 1.223 122.687 121.223 0.401 0.000 2.046 407 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 407 L C 2.602 179.556 176.870 0.141 0.000 1.077 407 L CA 2.445 57.392 54.840 0.178 0.000 0.747 407 L CB -0.905 41.153 42.059 -0.002 0.000 0.896 407 L HN 0.406 nan 8.230 nan 0.000 0.432 408 T N -4.306 110.338 114.554 0.150 0.000 2.857 408 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 408 T C 1.805 176.478 174.700 -0.044 0.000 1.048 408 T CA 0.826 62.985 62.100 0.099 0.000 1.139 408 T CB -0.327 68.600 68.868 0.099 0.000 0.874 408 T HN 0.342 nan 8.240 nan 0.000 0.455 409 Q N -0.004 119.764 119.800 -0.054 0.000 2.187 409 Q HA 0.091 4.431 4.340 -0.000 0.000 0.199 409 Q C 1.092 176.770 176.000 -0.537 0.000 0.957 409 Q CA 1.223 56.844 55.803 -0.305 0.000 0.857 409 Q CB -0.036 28.507 28.738 -0.326 0.000 0.929 409 Q HN 0.775 nan 8.270 nan 0.000 0.453 410 Y N -1.790 118.453 120.300 -0.096 0.000 2.499 410 Y HA 0.261 4.811 4.550 -0.000 0.000 0.253 410 Y C 2.020 177.804 175.900 -0.195 0.000 1.105 410 Y CA 0.057 58.082 58.100 -0.125 0.000 1.240 410 Y CB 0.244 38.673 38.460 -0.050 0.000 1.289 410 Y HN 0.082 nan 8.280 nan 0.000 0.534 411 G N 0.883 109.595 108.800 -0.146 0.000 2.469 411 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.219 411 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.219 411 G C 1.642 176.051 174.900 -0.819 0.000 1.150 411 G CA 0.866 45.761 45.100 -0.341 0.000 0.763 411 G HN 0.293 nan 8.290 nan 0.000 0.561 412 R N -0.310 119.409 120.500 -1.302 0.000 2.200 412 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 412 R C 2.480 178.546 176.300 -0.389 0.000 1.127 412 R CA 0.950 56.440 56.100 -1.016 0.000 0.989 412 R CB -0.269 29.539 30.300 -0.820 0.000 0.869 412 R HN 0.362 nan 8.270 nan 0.000 0.459 413 V N 0.811 120.553 119.914 -0.287 0.000 2.719 413 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 413 V C 2.248 178.237 176.094 -0.174 0.000 1.065 413 V CA 1.013 63.207 62.300 -0.177 0.000 1.086 413 V CB -0.373 31.380 31.823 -0.117 0.000 0.700 413 V HN 0.267 nan 8.190 nan 0.000 0.467 414 L N 1.230 122.388 121.223 -0.109 0.000 2.013 414 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 414 L C 2.479 179.304 176.870 -0.075 0.000 1.073 414 L CA 2.502 57.298 54.840 -0.073 0.000 0.753 414 L CB -0.964 41.158 42.059 0.104 0.000 0.890 414 L HN 0.529 nan 8.230 nan 0.000 0.432 415 R N -0.272 120.277 120.500 0.081 0.000 2.468 415 R HA 0.110 4.450 4.340 -0.000 0.000 0.280 415 R C 0.683 177.124 176.300 0.234 0.000 0.963 415 R CA -0.183 56.047 56.100 0.218 0.000 1.083 415 R CB -0.071 30.421 30.300 0.320 0.000 1.200 415 R HN 0.271 nan 8.270 nan 0.000 0.541 416 Q N 2.588 122.447 119.800 0.099 0.000 2.297 416 Q HA 0.223 4.563 4.340 -0.000 0.000 0.267 416 Q C -2.142 173.961 176.000 0.173 0.000 1.006 416 Q CA -2.159 53.703 55.803 0.099 0.000 0.896 416 Q CB 0.991 29.731 28.738 0.002 0.000 1.186 416 Q HN 0.060 nan 8.270 nan 0.000 0.392 417 P HA -0.032 nan 4.420 nan 0.000 0.269 417 P C -1.288 176.006 177.300 -0.009 0.000 1.215 417 P CA -0.123 62.919 63.100 -0.096 0.000 0.780 417 P CB 0.671 32.041 31.700 -0.551 0.000 0.898 418 V N 3.071 122.989 119.914 0.006 0.000 2.284 418 V HA 0.158 4.278 4.120 -0.000 0.000 0.274 418 V C 0.649 176.707 176.094 -0.061 0.000 1.023 418 V CA 0.086 62.388 62.300 0.004 0.000 0.808 418 V CB 0.076 31.938 31.823 0.066 0.000 1.035 418 V HN 0.789 nan 8.190 nan 0.000 0.445 419 D N 4.140 124.507 120.400 -0.054 0.000 4.372 419 D HA -0.308 4.332 4.640 -0.000 0.000 0.169 419 D C 1.314 177.605 176.300 -0.014 0.000 0.680 419 D CA 2.392 56.380 54.000 -0.019 0.000 1.152 419 D CB -0.258 40.543 40.800 0.002 0.000 0.585 419 D HN 0.572 nan 8.370 nan 0.000 0.493 420 R N -0.083 120.438 120.500 0.035 0.000 2.468 420 R HA 0.447 4.787 4.340 -0.000 0.000 0.280 420 R C -0.234 176.172 176.300 0.177 0.000 0.963 420 R CA -0.139 56.083 56.100 0.204 0.000 1.083 420 R CB 0.343 30.716 30.300 0.122 0.000 1.200 420 R HN 0.290 nan 8.270 nan 0.000 0.541 421 I N 1.048 121.568 120.570 -0.083 0.000 2.336 421 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 421 I C -0.566 175.198 176.117 -0.589 0.000 0.991 421 I CA -0.769 60.401 61.300 -0.216 0.000 1.227 421 I CB 0.751 38.599 38.000 -0.253 0.000 1.366 421 I HN -0.083 nan 8.210 nan 0.000 0.466 422 Y N 5.190 125.249 120.300 -0.401 0.000 2.496 422 Y HA 0.539 5.089 4.550 -0.000 0.000 0.331 422 Y C -0.526 175.016 175.900 -0.596 0.000 1.140 422 Y CA -0.668 57.222 58.100 -0.350 0.000 1.166 422 Y CB 1.497 39.867 38.460 -0.149 0.000 1.249 422 Y HN 0.289 nan 8.280 nan 0.000 0.479 423 F N 1.293 121.343 119.950 0.167 0.000 2.427 423 F HA 0.694 5.221 4.527 -0.000 0.000 0.348 423 F C 0.411 176.287 175.800 0.126 0.000 1.125 423 F CA -0.563 57.513 58.000 0.125 0.000 0.989 423 F CB 1.057 40.115 39.000 0.097 0.000 1.165 423 F HN 0.605 nan 8.300 nan 0.000 0.442 424 A N 2.362 125.320 122.820 0.230 0.000 3.687 424 A HA 0.947 5.267 4.320 -0.000 0.000 0.164 424 A C 0.427 178.141 177.584 0.216 0.000 1.564 424 A CA -0.370 51.773 52.037 0.178 0.000 0.896 424 A CB -0.161 18.900 19.000 0.103 0.000 1.731 424 A HN 1.468 nan 8.150 nan 0.000 0.607 425 G N -2.521 106.385 108.800 0.177 0.000 2.777 425 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 425 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 425 G C 0.433 175.465 174.900 0.220 0.000 1.177 425 G CA 0.623 45.837 45.100 0.190 0.000 0.775 425 G HN 1.547 nan 8.290 nan 0.000 0.613 426 T N 0.246 114.931 114.554 0.219 0.000 2.849 426 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 426 T C 2.125 177.028 174.700 0.337 0.000 1.066 426 T CA 2.618 64.874 62.100 0.259 0.000 1.130 426 T CB -0.185 68.831 68.868 0.247 0.000 0.864 426 T HN 0.629 nan 8.240 nan 0.000 0.481 427 E N 0.602 121.010 120.200 0.347 0.000 2.267 427 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 427 E C 2.239 179.100 176.600 0.435 0.000 0.998 427 E CA 1.596 58.255 56.400 0.432 0.000 0.830 427 E CB -0.269 29.652 29.700 0.368 0.000 0.751 427 E HN 0.719 nan 8.360 nan 0.000 0.491 428 T N -2.559 112.214 114.554 0.364 0.000 3.107 428 T HA 0.437 4.787 4.350 -0.000 0.000 0.249 428 T C 0.806 175.748 174.700 0.402 0.000 1.096 428 T CA 0.042 62.359 62.100 0.363 0.000 1.012 428 T CB 0.142 69.202 68.868 0.320 0.000 0.977 428 T HN 0.106 nan 8.240 nan 0.000 0.527 429 A N 1.698 124.758 122.820 0.399 0.000 2.346 429 A HA 0.546 4.866 4.320 -0.000 0.000 0.252 429 A C 1.517 179.363 177.584 0.437 0.000 1.089 429 A CA 0.096 52.370 52.037 0.395 0.000 0.797 429 A CB 0.359 19.550 19.000 0.318 0.000 1.047 429 A HN 0.502 nan 8.150 nan 0.000 0.494 430 T N -2.590 112.196 114.554 0.387 0.000 3.044 430 T HA 0.246 4.596 4.350 -0.000 0.000 0.260 430 T C 0.238 175.040 174.700 0.169 0.000 1.019 430 T CA 0.658 62.934 62.100 0.295 0.000 0.921 430 T CB -0.402 68.567 68.868 0.167 0.000 1.053 430 T HN 0.751 nan 8.240 nan 0.000 0.533 431 H N -1.135 117.956 119.070 0.034 0.000 3.017 431 H HA 0.271 4.827 4.556 -0.000 0.000 0.340 431 H C -1.006 174.324 175.328 0.004 0.000 1.014 431 H CA -1.173 54.810 56.048 -0.108 0.000 1.341 431 H CB 0.988 30.749 29.762 -0.002 0.000 1.739 431 H HN 0.287 nan 8.280 nan 0.000 0.506 432 W N 2.186 123.221 121.300 -0.441 0.000 5.538 432 W HA -0.250 4.410 4.660 0.000 0.000 0.377 432 W C 0.507 176.941 176.519 -0.142 0.000 1.406 432 W CA 0.972 58.008 57.345 -0.516 0.000 0.940 432 W CB -1.668 27.404 29.460 -0.647 0.000 2.536 432 W HN 0.377 nan 8.180 nan 0.000 1.504 433 S N 0.483 116.207 115.700 0.041 0.000 2.552 433 S HA 0.380 4.850 4.470 -0.000 0.000 0.289 433 S C 1.417 176.223 174.600 0.343 0.000 1.304 433 S CA 1.697 60.043 58.200 0.243 0.000 1.063 433 S CB 0.807 64.216 63.200 0.349 0.000 0.848 433 S HN 1.401 nan 8.310 nan 0.000 0.499 434 G N 3.031 112.115 108.800 0.473 0.000 2.232 434 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.226 434 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.226 434 G C -0.203 174.842 174.900 0.240 0.000 0.996 434 G CA 0.216 45.617 45.100 0.501 0.000 0.626 434 G HN 0.681 nan 8.290 nan 0.000 0.509 435 Y N -0.288 120.117 120.300 0.175 0.000 2.602 435 Y HA 0.722 5.272 4.550 -0.000 0.000 0.330 435 Y C 1.994 177.928 175.900 0.057 0.000 1.114 435 Y CA -0.726 57.426 58.100 0.086 0.000 1.182 435 Y CB 0.873 39.369 38.460 0.059 0.000 1.305 435 Y HN -0.015 nan 8.280 nan 0.000 0.502 436 M N -0.124 119.577 119.600 0.169 0.000 2.108 436 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 436 M C 1.884 178.240 176.300 0.095 0.000 1.066 436 M CA 2.017 57.383 55.300 0.109 0.000 1.107 436 M CB -0.270 32.386 32.600 0.093 0.000 1.356 436 M HN 0.791 nan 8.290 nan 0.000 0.406 437 E N 0.732 120.961 120.200 0.049 0.000 2.065 437 E HA -0.177 4.173 4.350 -0.000 0.000 0.201 437 E C 1.928 178.588 176.600 0.100 0.000 1.016 437 E CA 2.197 58.594 56.400 -0.005 0.000 0.818 437 E CB -0.726 28.836 29.700 -0.231 0.000 0.749 437 E HN 0.452 nan 8.360 nan 0.000 0.453 438 G N -0.149 108.760 108.800 0.182 0.000 2.422 438 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 438 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 438 G C 1.698 176.712 174.900 0.190 0.000 1.140 438 G CA 1.056 46.286 45.100 0.217 0.000 0.775 438 G HN 0.479 nan 8.290 nan 0.000 0.545 439 A N 0.294 123.213 122.820 0.166 0.000 1.902 439 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 439 A C 2.607 180.252 177.584 0.102 0.000 1.181 439 A CA 1.885 54.002 52.037 0.135 0.000 0.623 439 A CB -0.628 18.439 19.000 0.112 0.000 0.818 439 A HN 0.255 nan 8.150 nan 0.000 0.443 440 V N 0.123 120.089 119.914 0.085 0.000 2.295 440 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 440 V C 2.547 178.681 176.094 0.067 0.000 1.049 440 V CA 2.243 64.579 62.300 0.060 0.000 1.024 440 V CB -0.800 31.051 31.823 0.046 0.000 0.648 440 V HN 0.751 nan 8.190 nan 0.000 0.447 441 E N 0.460 120.720 120.200 0.101 0.000 2.058 441 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 441 E C 2.217 178.866 176.600 0.081 0.000 0.997 441 E CA 1.773 58.244 56.400 0.118 0.000 0.801 441 E CB -0.186 29.633 29.700 0.198 0.000 0.746 441 E HN 0.550 nan 8.360 nan 0.000 0.450 442 A N 0.616 123.504 122.820 0.113 0.000 1.929 442 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 442 A C 2.409 180.015 177.584 0.036 0.000 1.176 442 A CA 1.560 53.654 52.037 0.094 0.000 0.628 442 A CB -0.959 18.142 19.000 0.169 0.000 0.816 442 A HN 0.447 nan 8.150 nan 0.000 0.444 443 G N -0.305 108.522 108.800 0.044 0.000 2.418 443 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 443 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 443 G C 1.436 176.320 174.900 -0.027 0.000 1.158 443 G CA 0.985 46.095 45.100 0.017 0.000 0.771 443 G HN 0.649 nan 8.290 nan 0.000 0.545 444 E N -0.254 119.927 120.200 -0.032 0.000 2.107 444 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 444 E C 2.574 179.098 176.600 -0.127 0.000 0.982 444 E CA 0.134 56.498 56.400 -0.060 0.000 0.809 444 E CB -0.100 29.581 29.700 -0.031 0.000 0.756 444 E HN 0.182 nan 8.360 nan 0.000 0.459 445 R N 1.308 121.697 120.500 -0.186 0.000 2.073 445 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 445 R C 2.131 178.246 176.300 -0.307 0.000 1.134 445 R CA 1.586 57.456 56.100 -0.383 0.000 0.952 445 R CB -0.392 29.498 30.300 -0.683 0.000 0.850 445 R HN 0.158 nan 8.270 nan 0.000 0.433 446 A N 0.722 123.435 122.820 -0.177 0.000 1.902 446 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 446 A C 2.412 179.887 177.584 -0.183 0.000 1.181 446 A CA 1.826 53.800 52.037 -0.105 0.000 0.623 446 A CB -0.693 18.307 19.000 0.000 0.000 0.818 446 A HN 0.515 nan 8.150 nan 0.000 0.443 447 A N -0.072 122.656 122.820 -0.154 0.000 1.902 447 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 447 A C 2.240 179.697 177.584 -0.212 0.000 1.181 447 A CA 1.518 53.454 52.037 -0.168 0.000 0.623 447 A CB -0.472 18.467 19.000 -0.101 0.000 0.818 447 A HN 0.555 nan 8.150 nan 0.000 0.443 448 R N -0.352 120.031 120.500 -0.195 0.000 2.115 448 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 448 R C 2.026 178.201 176.300 -0.209 0.000 1.111 448 R CA 1.339 57.330 56.100 -0.181 0.000 0.976 448 R CB -0.318 29.883 30.300 -0.165 0.000 0.870 448 R HN 0.683 nan 8.270 nan 0.000 0.445 449 E N 0.759 120.795 120.200 -0.274 0.000 2.085 449 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 449 E C 1.999 178.280 176.600 -0.531 0.000 0.994 449 E CA 1.191 57.417 56.400 -0.289 0.000 0.801 449 E CB -0.142 29.417 29.700 -0.236 0.000 0.743 449 E HN 0.332 nan 8.360 nan 0.000 0.453 450 I N 0.942 121.061 120.570 -0.752 0.000 2.226 450 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 450 I C 2.326 178.116 176.117 -0.545 0.000 1.100 450 I CA 0.927 61.690 61.300 -0.896 0.000 1.374 450 I CB -0.160 37.359 38.000 -0.802 0.000 1.057 450 I HN 0.115 nan 8.210 nan 0.000 0.413 451 L N -0.175 120.857 121.223 -0.318 0.000 2.042 451 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 451 L C 2.721 179.516 176.870 -0.124 0.000 1.076 451 L CA 1.578 56.310 54.840 -0.179 0.000 0.749 451 L CB -0.892 41.100 42.059 -0.111 0.000 0.893 451 L HN 0.358 nan 8.230 nan 0.000 0.432 452 H N 0.201 119.157 119.070 -0.190 0.000 2.326 452 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 452 H C 2.118 177.381 175.328 -0.108 0.000 1.081 452 H CA 1.499 57.475 56.048 -0.120 0.000 1.334 452 H CB 0.015 29.724 29.762 -0.089 0.000 1.385 452 H HN 0.247 nan 8.280 nan 0.000 0.504 453 A N 0.419 123.033 122.820 -0.342 0.000 2.024 453 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 453 A C 2.242 179.716 177.584 -0.184 0.000 1.164 453 A CA 1.705 53.563 52.037 -0.298 0.000 0.643 453 A CB -0.660 18.183 19.000 -0.263 0.000 0.806 453 A HN 0.569 nan 8.150 nan 0.000 0.451 454 M N -1.258 118.228 119.600 -0.190 0.000 2.618 454 M HA 0.154 4.634 4.480 -0.000 0.000 0.240 454 M C 1.357 177.620 176.300 -0.061 0.000 1.123 454 M CA 0.728 55.994 55.300 -0.056 0.000 1.060 454 M CB 0.132 32.709 32.600 -0.039 0.000 1.535 454 M HN 0.604 nan 8.290 nan 0.000 0.507 455 G N 1.078 109.807 108.800 -0.118 0.000 2.155 455 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 455 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 455 G C 0.912 175.794 174.900 -0.030 0.000 0.983 455 G CA 0.693 45.747 45.100 -0.077 0.000 0.676 455 G HN 0.479 nan 8.290 nan 0.000 0.528 456 K N -0.413 119.968 120.400 -0.032 0.000 2.243 456 K HA 0.307 4.627 4.320 -0.000 0.000 0.201 456 K C 1.427 178.031 176.600 0.007 0.000 1.051 456 K CA 1.322 57.600 56.287 -0.015 0.000 0.970 456 K CB 0.192 32.674 32.500 -0.029 0.000 0.755 456 K HN 0.813 nan 8.250 nan 0.000 0.465 457 I N -2.053 118.539 120.570 0.037 0.000 2.969 457 I HA 0.468 4.638 4.170 -0.000 0.000 0.307 457 I C -2.987 173.214 176.117 0.139 0.000 1.149 457 I CA -2.997 58.338 61.300 0.058 0.000 1.008 457 I CB 2.362 40.378 38.000 0.028 0.000 1.232 457 I HN -0.255 nan 8.210 nan 0.000 0.435 458 P HA 0.143 nan 4.420 nan 0.000 0.276 458 P C 0.198 177.474 177.300 -0.041 0.000 1.252 458 P CA -0.022 63.136 63.100 0.097 0.000 0.802 458 P CB 1.208 32.936 31.700 0.046 0.000 1.035 459 E N 0.715 120.790 120.200 -0.209 0.000 2.130 459 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 459 E C 1.135 177.636 176.600 -0.164 0.000 0.998 459 E CA 1.541 57.659 56.400 -0.469 0.000 0.806 459 E CB -0.127 29.367 29.700 -0.344 0.000 0.738 459 E HN 0.486 nan 8.360 nan 0.000 0.459 460 D N -0.069 120.296 120.400 -0.058 0.000 2.378 460 D HA -0.151 4.489 4.640 -0.000 0.000 0.227 460 D C 0.866 177.182 176.300 0.026 0.000 1.012 460 D CA 0.659 54.663 54.000 0.007 0.000 0.905 460 D CB -0.158 40.650 40.800 0.014 0.000 0.895 460 D HN 0.327 nan 8.370 nan 0.000 0.532 461 E N -0.332 119.866 120.200 -0.004 0.000 2.474 461 E HA 0.179 4.529 4.350 -0.000 0.000 0.195 461 E C 1.896 178.487 176.600 -0.016 0.000 1.039 461 E CA -0.286 56.117 56.400 0.005 0.000 0.881 461 E CB 0.371 30.071 29.700 -0.001 0.000 0.970 461 E HN 0.325 nan 8.360 nan 0.000 0.486 462 I N 0.006 120.553 120.570 -0.038 0.000 2.179 462 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 462 I C 0.513 176.508 176.117 -0.204 0.000 1.088 462 I CA 1.169 62.384 61.300 -0.142 0.000 1.357 462 I CB 0.078 37.982 38.000 -0.160 0.000 1.051 462 I HN 0.092 nan 8.210 nan 0.000 0.409 463 W N 1.364 122.660 121.300 -0.006 0.000 2.391 463 W HA 0.491 5.151 4.660 -0.000 0.000 0.311 463 W C 0.098 176.622 176.519 0.008 0.000 1.087 463 W CA -0.245 57.108 57.345 0.014 0.000 1.209 463 W CB 0.719 30.189 29.460 0.017 0.000 1.273 463 W HN -0.054 nan 8.180 nan 0.000 0.482 464 Q N 2.663 122.588 119.800 0.208 0.000 2.337 464 Q HA 0.450 4.790 4.340 -0.000 0.000 0.270 464 Q C 0.048 176.125 176.000 0.127 0.000 1.043 464 Q CA -0.577 55.303 55.803 0.127 0.000 0.794 464 Q CB 1.752 30.530 28.738 0.066 0.000 1.281 464 Q HN 0.551 nan 8.270 nan 0.000 0.446 465 S N 2.377 118.135 115.700 0.096 0.000 2.596 465 S HA 0.289 4.759 4.470 -0.000 0.000 0.260 465 S C -0.191 174.452 174.600 0.071 0.000 1.336 465 S CA -0.519 57.729 58.200 0.081 0.000 0.993 465 S CB 1.250 64.481 63.200 0.051 0.000 0.923 465 S HN 0.681 nan 8.310 nan 0.000 0.567 466 E N 0.784 121.027 120.200 0.072 0.000 2.224 466 E HA 0.575 4.925 4.350 -0.000 0.000 0.265 466 E C -2.799 173.831 176.600 0.050 0.000 0.878 466 E CA -2.150 54.288 56.400 0.062 0.000 0.759 466 E CB 1.027 30.774 29.700 0.077 0.000 1.164 466 E HN 0.524 nan 8.360 nan 0.000 0.414 467 P HA 0.055 nan 4.420 nan 0.000 0.269 467 P C -0.742 176.577 177.300 0.030 0.000 1.209 467 P CA -0.155 62.962 63.100 0.029 0.000 0.776 467 P CB 0.492 32.206 31.700 0.023 0.000 0.876 468 E N 1.458 121.674 120.200 0.027 0.000 2.414 468 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 468 E C -0.114 176.496 176.600 0.017 0.000 1.000 468 E CA -0.251 56.163 56.400 0.024 0.000 0.914 468 E CB 0.387 30.099 29.700 0.021 0.000 0.948 468 E HN 0.367 nan 8.360 nan 0.000 0.444 469 S N 3.042 118.749 115.700 0.012 0.000 2.546 469 S HA -0.058 4.412 4.470 -0.000 0.000 0.290 469 S C 1.234 175.837 174.600 0.005 0.000 1.290 469 S CA -0.056 58.148 58.200 0.007 0.000 1.069 469 S CB 0.734 63.932 63.200 -0.004 0.000 0.846 469 S HN 0.529 nan 8.310 nan 0.000 0.495 470 V N 2.148 122.066 119.914 0.008 0.000 2.809 470 V HA 0.018 4.138 4.120 -0.000 0.000 0.256 470 V C 1.532 177.629 176.094 0.005 0.000 1.080 470 V CA 1.624 63.928 62.300 0.007 0.000 1.102 470 V CB -0.583 31.245 31.823 0.009 0.000 0.705 470 V HN 0.826 nan 8.190 nan 0.000 0.475 471 D N 0.904 121.307 120.400 0.005 0.000 2.249 471 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 471 D C 0.810 177.105 176.300 -0.009 0.000 0.962 471 D CA 1.207 55.208 54.000 0.003 0.000 0.860 471 D CB 0.773 41.579 40.800 0.010 0.000 0.955 471 D HN 0.531 nan 8.370 nan 0.000 0.505 472 V N 3.155 123.059 119.914 -0.017 0.000 2.464 472 V HA 0.178 4.298 4.120 -0.000 0.000 0.255 472 V C -2.437 173.641 176.094 -0.026 0.000 0.946 472 V CA -1.171 61.108 62.300 -0.034 0.000 0.988 472 V CB 1.377 33.162 31.823 -0.064 0.000 1.210 472 V HN -0.045 nan 8.190 nan 0.000 0.523 473 P HA 0.397 nan 4.420 nan 0.000 0.274 473 P C -0.251 177.046 177.300 -0.006 0.000 1.231 473 P CA 0.078 63.174 63.100 -0.006 0.000 0.790 473 P CB 1.643 33.342 31.700 -0.001 0.000 0.951 474 A N 2.919 125.741 122.820 0.003 0.000 2.331 474 A HA 0.359 4.679 4.320 -0.000 0.000 0.283 474 A C 0.223 177.810 177.584 0.006 0.000 1.142 474 A CA -0.363 51.679 52.037 0.008 0.000 0.812 474 A CB 0.089 19.104 19.000 0.026 0.000 1.074 474 A HN 0.458 nan 8.150 nan 0.000 0.497 475 Q N 1.137 120.939 119.800 0.003 0.000 2.214 475 Q HA 0.456 4.795 4.340 -0.000 0.000 0.251 475 Q C -2.470 173.531 176.000 0.003 0.000 0.936 475 Q CA -2.104 53.700 55.803 0.002 0.000 0.894 475 Q CB 0.389 29.127 28.738 -0.000 0.000 1.252 475 Q HN 0.466 nan 8.270 nan 0.000 0.448 476 P HA 0.085 nan 4.420 nan 0.000 0.269 476 P C -0.432 176.866 177.300 -0.003 0.000 1.209 476 P CA -0.108 62.991 63.100 -0.002 0.000 0.776 476 P CB 0.491 32.190 31.700 -0.001 0.000 0.876 477 I N 2.539 123.104 120.570 -0.008 0.000 2.371 477 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 477 I C 1.033 177.145 176.117 -0.008 0.000 1.028 477 I CA 0.199 61.493 61.300 -0.011 0.000 1.345 477 I CB 0.258 38.246 38.000 -0.020 0.000 1.407 477 I HN 0.414 nan 8.210 nan 0.000 0.501 478 T N 2.090 116.643 114.554 -0.001 0.000 2.926 478 T HA 0.858 5.208 4.350 -0.000 0.000 0.289 478 T C -0.036 174.668 174.700 0.007 0.000 1.054 478 T CA -0.676 61.426 62.100 0.004 0.000 1.015 478 T CB 2.305 71.181 68.868 0.014 0.000 1.167 478 T HN 0.644 nan 8.240 nan 0.000 0.526 479 T N -1.703 112.855 114.554 0.007 0.000 2.883 479 T HA 0.746 5.096 4.350 -0.000 0.000 0.296 479 T C 0.008 174.726 174.700 0.029 0.000 1.117 479 T CA -0.670 61.434 62.100 0.006 0.000 1.006 479 T CB 1.338 70.188 68.868 -0.030 0.000 1.191 479 T HN 1.064 nan 8.240 nan 0.000 0.508 480 T N -0.807 113.773 114.554 0.044 0.000 2.927 480 T HA 0.481 4.831 4.350 -0.000 0.000 0.281 480 T C 0.846 175.614 174.700 0.112 0.000 0.998 480 T CA -0.866 61.292 62.100 0.096 0.000 1.019 480 T CB 0.895 69.829 68.868 0.111 0.000 1.061 480 T HN 0.528 nan 8.240 nan 0.000 0.518 481 F N 0.842 120.827 119.950 0.058 0.000 2.087 481 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 481 F C 1.993 177.870 175.800 0.128 0.000 1.100 481 F CA 1.627 59.699 58.000 0.120 0.000 1.226 481 F CB -0.490 38.584 39.000 0.122 0.000 0.983 481 F HN 0.524 nan 8.300 nan 0.000 0.479 482 L N -0.099 121.270 121.223 0.242 0.000 2.046 482 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 482 L C 2.398 179.291 176.870 0.038 0.000 1.077 482 L CA 1.777 56.705 54.840 0.147 0.000 0.747 482 L CB -0.803 41.359 42.059 0.172 0.000 0.896 482 L HN 0.197 nan 8.230 nan 0.000 0.432 483 E N -0.146 120.070 120.200 0.027 0.000 2.085 483 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 483 E C 2.339 178.850 176.600 -0.149 0.000 0.994 483 E CA 1.131 57.514 56.400 -0.029 0.000 0.801 483 E CB -0.054 29.636 29.700 -0.015 0.000 0.743 483 E HN 0.424 nan 8.360 nan 0.000 0.453 484 R N -0.427 119.905 120.500 -0.280 0.000 2.115 484 R HA -0.043 4.297 4.340 -0.000 0.000 0.226 484 R C 1.649 177.534 176.300 -0.691 0.000 1.100 484 R CA 0.932 56.713 56.100 -0.532 0.000 0.980 484 R CB 0.060 29.918 30.300 -0.736 0.000 0.875 484 R HN 0.321 nan 8.270 nan 0.000 0.445 485 H N -0.819 118.079 119.070 -0.287 0.000 3.058 485 H HA 0.216 4.772 4.556 -0.000 0.000 0.258 485 H C 0.480 175.722 175.328 -0.144 0.000 1.015 485 H CA -0.230 55.648 56.048 -0.283 0.000 1.210 485 H CB 0.502 29.946 29.762 -0.531 0.000 1.481 485 H HN -0.005 nan 8.280 nan 0.000 0.492 486 L N 4.655 125.877 121.223 -0.000 0.000 2.514 486 L HA 0.024 4.364 4.340 -0.000 0.000 0.280 486 L C -1.618 175.249 176.870 -0.005 0.000 1.223 486 L CA -1.200 53.659 54.840 0.031 0.000 0.864 486 L CB 0.196 42.307 42.059 0.088 0.000 1.118 486 L HN 0.001 nan 8.230 nan 0.000 0.494 487 P HA 0.112 nan 4.420 nan 0.000 0.274 487 P C -0.585 176.677 177.300 -0.064 0.000 1.246 487 P CA -0.577 62.499 63.100 -0.040 0.000 0.795 487 P CB 1.061 32.734 31.700 -0.044 0.000 1.006 488 S N 0.098 115.739 115.700 -0.098 0.000 2.626 488 S HA 0.097 4.567 4.470 -0.000 0.000 0.257 488 S C 1.522 175.993 174.600 -0.215 0.000 1.288 488 S CA -0.562 57.556 58.200 -0.138 0.000 0.980 488 S CB -0.360 62.755 63.200 -0.142 0.000 0.975 488 S HN 0.223 nan 8.310 nan 0.000 0.577 489 V N 2.368 122.086 119.914 -0.326 0.000 2.261 489 V HA -0.057 4.062 4.120 -0.000 0.000 0.246 489 V C -0.454 175.219 176.094 -0.703 0.000 1.047 489 V CA 1.906 63.909 62.300 -0.495 0.000 1.015 489 V CB -1.804 29.704 31.823 -0.526 0.000 0.642 489 V HN 0.818 nan 8.190 nan 0.000 0.446 490 P HA -0.061 nan 4.420 nan 0.000 0.223 490 P C 1.679 178.790 177.300 -0.315 0.000 1.151 490 P CA 1.742 64.431 63.100 -0.685 0.000 0.787 490 P CB -0.198 31.216 31.700 -0.477 0.000 0.788 491 G N 0.906 109.559 108.800 -0.244 0.000 2.402 491 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 491 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 491 G C 1.442 176.268 174.900 -0.125 0.000 1.162 491 G CA 0.446 45.461 45.100 -0.141 0.000 0.777 491 G HN 0.261 nan 8.290 nan 0.000 0.539 492 L N 0.369 121.503 121.223 -0.148 0.000 2.201 492 L HA 0.202 4.542 4.340 -0.000 0.000 0.212 492 L C 2.471 179.273 176.870 -0.113 0.000 1.105 492 L CA 1.143 55.916 54.840 -0.112 0.000 0.775 492 L CB -0.181 41.814 42.059 -0.105 0.000 0.913 492 L HN 0.193 nan 8.230 nan 0.000 0.440 493 L N -1.284 119.841 121.223 -0.163 0.000 2.095 493 L HA -0.071 4.269 4.340 -0.000 0.000 0.204 493 L C 2.671 179.490 176.870 -0.084 0.000 1.080 493 L CA 0.781 55.542 54.840 -0.130 0.000 0.759 493 L CB -0.487 41.462 42.059 -0.184 0.000 0.914 493 L HN 0.141 nan 8.230 nan 0.000 0.439 494 R N 0.079 120.526 120.500 -0.087 0.000 2.127 494 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 494 R C 1.591 177.868 176.300 -0.039 0.000 1.134 494 R CA 1.093 57.163 56.100 -0.051 0.000 0.975 494 R CB -0.180 30.091 30.300 -0.047 0.000 0.865 494 R HN 0.165 nan 8.270 nan 0.000 0.447 495 L N 0.646 121.842 121.223 -0.046 0.000 2.715 495 L HA 0.287 4.627 4.340 -0.000 0.000 0.238 495 L C -0.328 176.525 176.870 -0.029 0.000 1.212 495 L CA 0.552 55.372 54.840 -0.033 0.000 1.017 495 L CB 0.206 42.245 42.059 -0.034 0.000 1.269 495 L HN 0.059 nan 8.230 nan 0.000 0.452 496 I N 0.000 120.552 120.570 -0.030 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 496 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494