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 2v5z_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 0.000 175.515 175.510 0.009 0.000 1.280 3 N CA 0.000 52.946 53.050 -0.173 0.000 0.885 3 N CB 0.000 38.401 38.487 -0.142 0.000 1.341 4 K N 1.841 122.256 120.400 0.025 0.000 2.211 4 K HA 0.513 4.833 4.320 -0.000 0.000 0.275 4 K C 0.133 176.773 176.600 0.067 0.000 1.024 4 K CA -0.362 55.951 56.287 0.043 0.000 0.887 4 K CB 1.772 34.283 32.500 0.019 0.000 1.084 4 K HN 0.551 nan 8.250 nan 0.000 0.463 5 C N -0.846 118.499 119.300 0.074 0.000 3.336 5 C HA 0.422 4.882 4.460 -0.000 0.000 0.339 5 C C 0.807 175.834 174.990 0.061 0.000 1.468 5 C CA -0.776 58.285 59.018 0.072 0.000 1.287 5 C CB 1.006 28.800 27.740 0.091 0.000 1.682 5 C HN 0.770 nan 8.230 nan 0.000 0.451 6 D N 0.266 120.705 120.400 0.064 0.000 2.149 6 D HA 0.132 4.772 4.640 -0.000 0.000 0.206 6 D C 0.310 176.675 176.300 0.108 0.000 0.967 6 D CA 1.687 55.734 54.000 0.078 0.000 0.848 6 D CB 0.246 41.091 40.800 0.075 0.000 0.998 6 D HN 0.483 nan 8.370 nan 0.000 0.474 7 V N 1.499 121.467 119.914 0.090 0.000 2.623 7 V HA 0.254 4.374 4.120 -0.000 0.000 0.304 7 V C -0.145 175.980 176.094 0.053 0.000 1.054 7 V CA -0.840 61.516 62.300 0.092 0.000 0.882 7 V CB 2.759 34.625 31.823 0.072 0.000 1.002 7 V HN -0.235 nan 8.190 nan 0.000 0.424 8 V N 5.293 125.234 119.914 0.044 0.000 2.407 8 V HA 0.394 4.514 4.120 -0.000 0.000 0.278 8 V C -0.036 176.053 176.094 -0.009 0.000 1.037 8 V CA -0.392 61.905 62.300 -0.005 0.000 0.900 8 V CB 1.805 33.619 31.823 -0.014 0.000 0.983 8 V HN 0.636 nan 8.190 nan 0.000 0.459 9 V N 6.216 126.110 119.914 -0.034 0.000 2.370 9 V HA 0.330 4.450 4.120 -0.000 0.000 0.279 9 V C 0.002 176.071 176.094 -0.041 0.000 1.029 9 V CA -0.574 61.711 62.300 -0.024 0.000 0.870 9 V CB 1.766 33.577 31.823 -0.019 0.000 0.984 9 V HN 0.600 nan 8.190 nan 0.000 0.451 10 V N 4.620 124.524 119.914 -0.018 0.000 2.368 10 V HA 0.801 4.921 4.120 -0.000 0.000 0.266 10 V C 0.681 176.779 176.094 0.007 0.000 1.045 10 V CA 0.420 62.709 62.300 -0.017 0.000 0.899 10 V CB 0.437 32.267 31.823 0.012 0.000 1.006 10 V HN 1.271 nan 8.190 nan 0.000 0.470 11 G N 3.646 112.436 108.800 -0.016 0.000 3.367 11 G HA2 0.175 4.135 3.960 -0.000 0.000 0.686 11 G HA3 0.175 4.135 3.960 -0.000 0.000 0.686 11 G C 0.078 174.980 174.900 0.003 0.000 1.146 11 G CA -0.507 44.596 45.100 0.005 0.000 0.913 11 G HN 1.222 nan 8.290 nan 0.000 0.554 12 G N 0.857 109.656 108.800 -0.001 0.000 4.125 12 G HA2 0.683 4.643 3.960 -0.000 0.000 0.301 12 G HA3 0.683 4.643 3.960 -0.000 0.000 0.301 12 G C 0.878 175.794 174.900 0.026 0.000 1.273 12 G CA 0.919 46.019 45.100 0.001 0.000 1.095 12 G HN 1.288 nan 8.290 nan 0.000 0.582 13 G N -0.124 108.703 108.800 0.045 0.000 2.535 13 G HA2 0.349 4.309 3.960 -0.000 0.000 0.282 13 G HA3 0.349 4.309 3.960 -0.000 0.000 0.282 13 G C 1.192 176.120 174.900 0.047 0.000 1.350 13 G CA -0.766 44.370 45.100 0.061 0.000 1.039 13 G HN 0.145 nan 8.290 nan 0.000 0.509 14 I N -0.533 120.068 120.570 0.051 0.000 2.264 14 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 14 I C 3.012 179.153 176.117 0.041 0.000 1.111 14 I CA 1.624 62.947 61.300 0.038 0.000 1.382 14 I CB -0.091 37.935 38.000 0.044 0.000 1.060 14 I HN 0.469 nan 8.210 nan 0.000 0.418 15 S N 0.507 116.243 115.700 0.061 0.000 2.355 15 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 15 S C 2.116 176.743 174.600 0.045 0.000 1.031 15 S CA 1.592 59.831 58.200 0.065 0.000 0.993 15 S CB -0.590 62.666 63.200 0.094 0.000 0.859 15 S HN 0.567 nan 8.310 nan 0.000 0.453 16 G N 1.538 110.364 108.800 0.043 0.000 2.418 16 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 16 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 16 G C 1.453 176.357 174.900 0.007 0.000 1.158 16 G CA 0.959 46.074 45.100 0.025 0.000 0.771 16 G HN 0.396 nan 8.290 nan 0.000 0.545 17 M N 1.242 120.845 119.600 0.004 0.000 2.117 17 M HA 0.069 4.549 4.480 -0.000 0.000 0.262 17 M C 2.997 179.290 176.300 -0.011 0.000 1.065 17 M CA 1.227 56.520 55.300 -0.011 0.000 1.114 17 M CB -1.333 31.258 32.600 -0.014 0.000 1.361 17 M HN 0.313 nan 8.290 nan 0.000 0.408 18 A N 0.196 123.016 122.820 -0.001 0.000 1.933 18 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 18 A C 2.453 180.035 177.584 -0.003 0.000 1.175 18 A CA 2.063 54.100 52.037 -0.001 0.000 0.628 18 A CB -0.861 18.144 19.000 0.009 0.000 0.814 18 A HN 0.470 nan 8.150 nan 0.000 0.444 19 A N -0.085 122.733 122.820 -0.003 0.000 1.873 19 A HA 0.181 4.501 4.320 -0.000 0.000 0.215 19 A C 2.529 180.108 177.584 -0.009 0.000 1.186 19 A CA 2.078 54.108 52.037 -0.013 0.000 0.616 19 A CB -1.088 17.906 19.000 -0.010 0.000 0.823 19 A HN 1.050 nan 8.150 nan 0.000 0.442 20 A N -0.233 122.584 122.820 -0.005 0.000 1.902 20 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 20 A C 2.151 179.751 177.584 0.026 0.000 1.181 20 A CA 2.075 54.113 52.037 0.003 0.000 0.623 20 A CB -0.492 18.498 19.000 -0.017 0.000 0.818 20 A HN 0.561 nan 8.150 nan 0.000 0.443 21 K N -0.500 119.906 120.400 0.011 0.000 2.026 21 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 21 K C 2.006 178.645 176.600 0.065 0.000 1.048 21 K CA 1.549 57.857 56.287 0.035 0.000 0.929 21 K CB -0.313 32.190 32.500 0.004 0.000 0.713 21 K HN 0.463 nan 8.250 nan 0.000 0.439 22 L N 1.137 122.375 121.223 0.026 0.000 2.017 22 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 22 L C 2.173 179.049 176.870 0.009 0.000 1.073 22 L CA 1.192 56.038 54.840 0.009 0.000 0.745 22 L CB -0.141 41.907 42.059 -0.017 0.000 0.894 22 L HN 0.244 nan 8.230 nan 0.000 0.432 23 L N -1.124 120.106 121.223 0.013 0.000 2.056 23 L HA -0.262 4.078 4.340 -0.000 0.000 0.207 23 L C 2.601 179.492 176.870 0.034 0.000 1.078 23 L CA 1.509 56.353 54.840 0.006 0.000 0.749 23 L CB -0.852 41.208 42.059 0.001 0.000 0.901 23 L HN 0.410 nan 8.230 nan 0.000 0.433 24 H N 0.341 119.399 119.070 -0.020 0.000 2.319 24 H HA -0.201 4.355 4.556 -0.000 0.000 0.299 24 H C 1.784 177.104 175.328 -0.013 0.000 1.092 24 H CA 2.057 58.097 56.048 -0.014 0.000 1.302 24 H CB 0.021 29.775 29.762 -0.013 0.000 1.373 24 H HN 0.215 nan 8.280 nan 0.000 0.497 25 D N -0.605 119.798 120.400 0.005 0.000 2.263 25 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 25 D C 1.805 178.059 176.300 -0.078 0.000 0.971 25 D CA 1.125 55.096 54.000 -0.047 0.000 0.867 25 D CB -0.149 40.664 40.800 0.021 0.000 0.929 25 D HN 0.346 nan 8.370 nan 0.000 0.492 26 S N -1.166 114.496 115.700 -0.064 0.000 2.558 26 S HA 0.257 4.727 4.470 -0.000 0.000 0.217 26 S C 1.589 176.145 174.600 -0.073 0.000 0.975 26 S CA 0.577 58.742 58.200 -0.058 0.000 0.912 26 S CB 0.804 63.978 63.200 -0.044 0.000 0.776 26 S HN 0.438 nan 8.310 nan 0.000 0.526 27 G N 0.967 109.698 108.800 -0.114 0.000 2.163 27 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 27 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 27 G C -0.076 174.779 174.900 -0.076 0.000 0.991 27 G CA -0.429 44.602 45.100 -0.114 0.000 0.653 27 G HN 0.400 nan 8.290 nan 0.000 0.518 28 L N 0.674 121.865 121.223 -0.052 0.000 2.399 28 L HA 0.445 4.785 4.340 -0.000 0.000 0.266 28 L C 0.087 176.968 176.870 0.018 0.000 1.114 28 L CA -1.098 53.737 54.840 -0.009 0.000 0.804 28 L CB 0.712 42.774 42.059 0.005 0.000 1.146 28 L HN -0.006 nan 8.230 nan 0.000 0.451 29 N N 2.063 120.786 118.700 0.038 0.000 2.406 29 N HA 0.274 5.014 4.740 -0.000 0.000 0.251 29 N C -0.637 174.916 175.510 0.071 0.000 1.069 29 N CA -0.102 52.986 53.050 0.063 0.000 0.947 29 N CB 1.530 40.050 38.487 0.054 0.000 1.111 29 N HN 0.363 nan 8.380 nan 0.000 0.497 30 V N 0.176 120.142 119.914 0.086 0.000 2.815 30 V HA 0.755 4.875 4.120 -0.000 0.000 0.314 30 V C -0.116 176.000 176.094 0.036 0.000 1.064 30 V CA -0.721 61.614 62.300 0.058 0.000 0.952 30 V CB 1.997 33.852 31.823 0.055 0.000 1.020 30 V HN 0.163 nan 8.190 nan 0.000 0.439 31 V N 3.501 123.417 119.914 0.004 0.000 2.709 31 V HA 0.546 4.666 4.120 -0.000 0.000 0.308 31 V C -0.415 175.624 176.094 -0.092 0.000 1.062 31 V CA -0.523 61.751 62.300 -0.044 0.000 0.901 31 V CB 2.117 33.906 31.823 -0.058 0.000 1.003 31 V HN 0.845 nan 8.190 nan 0.000 0.425 32 V N 6.035 125.887 119.914 -0.103 0.000 2.370 32 V HA 0.463 4.583 4.120 -0.000 0.000 0.283 32 V C -0.245 175.756 176.094 -0.155 0.000 1.023 32 V CA -0.449 61.787 62.300 -0.106 0.000 0.857 32 V CB 1.503 33.284 31.823 -0.070 0.000 0.985 32 V HN 0.618 nan 8.190 nan 0.000 0.443 33 L N 4.559 125.675 121.223 -0.180 0.000 2.262 33 L HA 0.601 4.941 4.340 -0.000 0.000 0.288 33 L C -0.152 176.638 176.870 -0.134 0.000 1.035 33 L CA -0.337 54.381 54.840 -0.203 0.000 0.820 33 L CB 1.360 43.260 42.059 -0.265 0.000 1.204 33 L HN 0.613 nan 8.230 nan 0.000 0.424 34 E N 2.337 122.462 120.200 -0.124 0.000 2.176 34 E HA 0.487 4.837 4.350 -0.000 0.000 0.267 34 E C 0.329 176.827 176.600 -0.170 0.000 0.893 34 E CA -0.322 56.008 56.400 -0.117 0.000 0.761 34 E CB 2.062 31.716 29.700 -0.077 0.000 1.133 34 E HN 0.549 nan 8.360 nan 0.000 0.409 35 A N 5.429 128.086 122.820 -0.271 0.000 1.930 35 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 35 A C 1.079 178.441 177.584 -0.371 0.000 1.175 35 A CA 0.991 52.735 52.037 -0.488 0.000 0.627 35 A CB -0.181 18.140 19.000 -1.131 0.000 0.815 35 A HN 0.603 nan 8.150 nan 0.000 0.443 36 R N -0.119 120.242 120.500 -0.232 0.000 2.580 36 R HA 0.241 4.581 4.340 -0.000 0.000 0.267 36 R C 0.151 176.414 176.300 -0.062 0.000 1.125 36 R CA 0.148 56.187 56.100 -0.102 0.000 1.188 36 R CB 0.140 30.420 30.300 -0.033 0.000 1.155 36 R HN 0.453 nan 8.270 nan 0.000 0.586 37 D N 0.288 120.670 120.400 -0.030 0.000 2.324 37 D HA -0.032 4.608 4.640 -0.000 0.000 0.235 37 D C -0.125 176.177 176.300 0.003 0.000 1.095 37 D CA 0.082 54.074 54.000 -0.014 0.000 0.871 37 D CB -0.041 40.755 40.800 -0.006 0.000 0.906 37 D HN 0.428 nan 8.370 nan 0.000 0.522 38 R N -1.225 119.280 120.500 0.007 0.000 2.710 38 R HA 0.584 4.924 4.340 -0.000 0.000 0.270 38 R C -0.661 175.662 176.300 0.037 0.000 1.021 38 R CA -1.122 55.001 56.100 0.038 0.000 0.889 38 R CB 1.223 31.572 30.300 0.081 0.000 1.243 38 R HN -0.099 nan 8.270 nan 0.000 0.464 39 V N -1.399 118.545 119.914 0.050 0.000 3.262 39 V HA 0.858 4.978 4.120 -0.000 0.000 0.313 39 V C 0.945 177.095 176.094 0.093 0.000 1.070 39 V CA 0.445 62.774 62.300 0.048 0.000 1.049 39 V CB 0.788 32.624 31.823 0.022 0.000 1.157 39 V HN 1.194 nan 8.190 nan 0.000 0.454 40 G N -0.757 108.096 108.800 0.089 0.000 2.339 40 G HA2 0.143 4.103 3.960 -0.000 0.000 0.209 40 G HA3 0.143 4.103 3.960 -0.000 0.000 0.209 40 G C 1.640 176.629 174.900 0.148 0.000 1.015 40 G CA 0.780 45.953 45.100 0.121 0.000 0.635 40 G HN 2.634 nan 8.290 nan 0.000 0.499 41 G N 0.581 109.481 108.800 0.167 0.000 2.620 41 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.315 41 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.315 41 G C 0.958 176.020 174.900 0.269 0.000 1.179 41 G CA 1.469 46.684 45.100 0.192 0.000 0.971 41 G HN 1.195 nan 8.290 nan 0.000 0.544 42 R N 1.864 122.435 120.500 0.118 0.000 2.323 42 R HA 0.225 4.564 4.340 -0.000 0.000 0.198 42 R C 1.065 177.281 176.300 -0.141 0.000 0.988 42 R CA 1.051 57.056 56.100 -0.159 0.000 1.041 42 R CB -0.132 30.040 30.300 -0.213 0.000 0.926 42 R HN 0.711 nan 8.270 nan 0.000 0.476 43 T N -2.428 112.187 114.554 0.101 0.000 2.867 43 T HA 0.373 4.723 4.350 -0.000 0.000 0.282 43 T C -0.941 173.989 174.700 0.382 0.000 1.000 43 T CA -0.635 61.573 62.100 0.180 0.000 1.042 43 T CB 1.606 70.544 68.868 0.117 0.000 0.973 43 T HN 0.115 nan 8.240 nan 0.000 0.465 44 Y N 1.123 121.572 120.300 0.248 0.000 2.313 44 Y HA 0.416 4.966 4.550 -0.000 0.000 0.320 44 Y C -1.218 174.794 175.900 0.187 0.000 1.171 44 Y CA -0.762 57.480 58.100 0.237 0.000 1.093 44 Y CB 1.484 40.140 38.460 0.327 0.000 1.224 44 Y HN 0.888 nan 8.280 nan 0.000 0.421 45 T N 7.748 122.140 114.554 -0.270 0.000 2.756 45 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 45 T C -0.853 173.537 174.700 -0.517 0.000 0.985 45 T CA -0.396 61.544 62.100 -0.266 0.000 0.955 45 T CB 0.606 69.424 68.868 -0.084 0.000 0.930 45 T HN 0.573 nan 8.240 nan 0.000 0.451 46 L N 4.450 125.388 121.223 -0.475 0.000 2.326 46 L HA 0.650 4.990 4.340 -0.000 0.000 0.278 46 L C -0.309 176.490 176.870 -0.119 0.000 1.092 46 L CA -0.136 54.495 54.840 -0.348 0.000 0.810 46 L CB 0.513 42.450 42.059 -0.204 0.000 1.153 46 L HN 0.438 nan 8.230 nan 0.000 0.439 47 R N 3.552 124.005 120.500 -0.078 0.000 2.494 47 R HA 0.655 4.995 4.340 -0.000 0.000 0.305 47 R C -1.081 175.197 176.300 -0.036 0.000 0.959 47 R CA -0.586 55.493 56.100 -0.034 0.000 0.864 47 R CB 1.363 31.653 30.300 -0.017 0.000 1.159 47 R HN 0.899 nan 8.270 nan 0.000 0.446 48 N N -0.977 117.687 118.700 -0.059 0.000 3.020 48 N HA 0.071 4.811 4.740 -0.000 0.000 0.248 48 N C -0.156 175.297 175.510 -0.095 0.000 1.480 48 N CA -0.850 52.161 53.050 -0.065 0.000 0.874 48 N CB 0.663 39.116 38.487 -0.058 0.000 1.433 48 N HN 0.164 nan 8.380 nan 0.000 0.530 49 Q N -0.243 119.509 119.800 -0.081 0.000 2.167 49 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 49 Q C 0.655 176.613 176.000 -0.071 0.000 0.970 49 Q CA 1.271 57.040 55.803 -0.057 0.000 0.855 49 Q CB -0.028 28.686 28.738 -0.039 0.000 0.911 49 Q HN 0.542 nan 8.270 nan 0.000 0.438 50 K N -0.028 120.238 120.400 -0.224 0.000 2.155 50 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 50 K C 1.973 178.385 176.600 -0.314 0.000 1.052 50 K CA 1.294 57.351 56.287 -0.382 0.000 0.948 50 K CB 0.114 32.032 32.500 -0.971 0.000 0.728 50 K HN 0.260 nan 8.250 nan 0.000 0.448 51 V N -2.865 116.833 119.914 -0.360 0.000 3.645 51 V HA 0.213 4.333 4.120 -0.000 0.000 0.275 51 V C 1.435 177.141 176.094 -0.648 0.000 1.356 51 V CA 0.575 62.617 62.300 -0.430 0.000 1.051 51 V CB 0.185 31.791 31.823 -0.362 0.000 0.828 51 V HN 0.253 nan 8.190 nan 0.000 0.441 52 K N 0.571 120.669 120.400 -0.505 0.000 10.883 52 K HA -0.308 4.011 4.320 -0.000 0.000 0.526 52 K C 0.149 176.652 176.600 -0.162 0.000 0.382 52 K CA 2.551 58.589 56.287 -0.415 0.000 1.943 52 K CB -1.437 30.622 32.500 -0.736 0.000 0.766 52 K HN 0.938 nan 8.250 nan 0.000 1.214 53 Y N -1.891 118.259 120.300 -0.249 0.000 2.562 53 Y HA 0.737 5.287 4.550 -0.000 0.000 0.345 53 Y C -1.199 174.659 175.900 -0.070 0.000 1.045 53 Y CA -0.806 57.212 58.100 -0.137 0.000 1.028 53 Y CB 2.092 40.490 38.460 -0.103 0.000 1.297 53 Y HN -0.012 nan 8.280 nan 0.000 0.463 54 V N 2.425 122.398 119.914 0.098 0.000 2.777 54 V HA 0.359 4.479 4.120 -0.000 0.000 0.306 54 V C -1.581 174.576 176.094 0.104 0.000 1.112 54 V CA -0.644 61.718 62.300 0.102 0.000 0.917 54 V CB 1.946 33.849 31.823 0.134 0.000 1.018 54 V HN 0.927 nan 8.190 nan 0.000 0.426 55 D N 5.736 126.210 120.400 0.123 0.000 2.339 55 D HA 0.285 4.925 4.640 -0.000 0.000 0.256 55 D C 0.848 177.237 176.300 0.147 0.000 1.214 55 D CA 0.222 54.284 54.000 0.103 0.000 0.877 55 D CB 1.830 42.664 40.800 0.056 0.000 1.111 55 D HN 0.515 nan 8.370 nan 0.000 0.478 56 L N 1.516 122.879 121.223 0.234 0.000 2.554 56 L HA 0.204 4.544 4.340 -0.000 0.000 0.225 56 L C 1.540 178.793 176.870 0.640 0.000 1.104 56 L CA 0.072 55.146 54.840 0.390 0.000 0.866 56 L CB 0.336 42.644 42.059 0.415 0.000 1.047 56 L HN 0.325 nan 8.230 nan 0.000 0.468 57 G N -0.804 108.305 108.800 0.514 0.000 3.175 57 G HA2 0.429 4.389 3.960 -0.000 0.000 0.153 57 G HA3 0.429 4.389 3.960 -0.000 0.000 0.153 57 G C -0.156 174.786 174.900 0.071 0.000 1.216 57 G CA -0.066 45.183 45.100 0.248 0.000 0.943 57 G HN 0.083 nan 8.290 nan 0.000 0.611 58 G N -0.795 107.980 108.800 -0.042 0.000 2.321 58 G HA2 0.365 4.325 3.960 -0.000 0.000 0.237 58 G HA3 0.365 4.325 3.960 -0.000 0.000 0.237 58 G C 0.536 175.413 174.900 -0.039 0.000 1.282 58 G CA 0.915 45.984 45.100 -0.051 0.000 0.886 58 G HN 0.840 nan 8.290 nan 0.000 0.528 59 S N 1.191 116.803 115.700 -0.146 0.000 3.113 59 S HA 0.191 4.661 4.470 -0.000 0.000 0.265 59 S C 0.064 174.419 174.600 -0.408 0.000 1.079 59 S CA -0.324 57.692 58.200 -0.307 0.000 0.892 59 S CB 0.042 62.906 63.200 -0.560 0.000 0.880 59 S HN 0.495 nan 8.310 nan 0.000 0.444 60 Y N 2.822 123.080 120.300 -0.070 0.000 2.304 60 Y HA 0.544 5.094 4.550 -0.000 0.000 0.328 60 Y C 0.270 176.045 175.900 -0.207 0.000 1.123 60 Y CA -0.471 57.541 58.100 -0.146 0.000 1.218 60 Y CB 1.230 39.644 38.460 -0.077 0.000 1.207 60 Y HN 0.119 nan 8.280 nan 0.000 0.495 61 V N -0.146 119.658 119.914 -0.182 0.000 3.102 61 V HA 1.105 5.224 4.120 -0.000 0.000 0.312 61 V C -0.318 175.599 176.094 -0.295 0.000 1.135 61 V CA -0.535 61.583 62.300 -0.303 0.000 1.022 61 V CB 1.702 33.264 31.823 -0.434 0.000 1.056 61 V HN 0.938 nan 8.190 nan 0.000 0.436 62 G N 0.443 109.028 108.800 -0.357 0.000 2.606 62 G HA2 0.714 4.674 3.960 -0.000 0.000 0.300 62 G HA3 0.714 4.674 3.960 -0.000 0.000 0.300 62 G C -3.437 171.311 174.900 -0.254 0.000 1.360 62 G CA -1.138 43.798 45.100 -0.273 0.000 0.783 62 G HN 0.722 nan 8.290 nan 0.000 0.484 63 P HA 0.109 nan 4.420 nan 0.000 0.265 63 P C 0.794 178.079 177.300 -0.025 0.000 1.187 63 P CA 1.983 65.044 63.100 -0.066 0.000 0.766 63 P CB 0.875 32.563 31.700 -0.020 0.000 0.820 64 T N -1.339 113.231 114.554 0.026 0.000 6.424 64 T HA -0.247 4.103 4.350 -0.000 0.000 0.279 64 T C 0.241 174.989 174.700 0.079 0.000 2.176 64 T CA 0.974 63.167 62.100 0.156 0.000 3.628 64 T CB -2.661 66.421 68.868 0.357 0.000 1.165 64 T HN 0.583 nan 8.240 nan 0.000 1.080 65 Q N 1.324 120.987 119.800 -0.228 0.000 3.091 65 Q HA 0.377 4.717 4.340 -0.000 0.000 0.301 65 Q C 0.874 176.785 176.000 -0.149 0.000 1.337 65 Q CA -0.485 55.081 55.803 -0.394 0.000 1.083 65 Q CB 0.233 28.542 28.738 -0.716 0.000 1.477 65 Q HN 0.489 nan 8.270 nan 0.000 0.537 66 N N 0.845 119.531 118.700 -0.023 0.000 2.354 66 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 66 N C 1.251 176.775 175.510 0.024 0.000 1.021 66 N CA 0.792 53.850 53.050 0.013 0.000 0.887 66 N CB 0.268 38.784 38.487 0.049 0.000 0.974 66 N HN 0.380 nan 8.380 nan 0.000 0.437 67 R N 0.515 121.034 120.500 0.032 0.000 2.066 67 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 67 R C 2.043 178.362 176.300 0.033 0.000 1.131 67 R CA 0.757 56.882 56.100 0.040 0.000 0.955 67 R CB -0.372 29.964 30.300 0.060 0.000 0.851 67 R HN 0.093 nan 8.270 nan 0.000 0.432 68 I N 1.261 121.847 120.570 0.026 0.000 2.315 68 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 68 I C 1.831 178.019 176.117 0.119 0.000 1.117 68 I CA 1.368 62.707 61.300 0.065 0.000 1.404 68 I CB -0.079 37.969 38.000 0.080 0.000 1.071 68 I HN 0.098 nan 8.210 nan 0.000 0.419 69 L N 0.171 121.449 121.223 0.092 0.000 2.046 69 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 69 L C 2.753 179.672 176.870 0.081 0.000 1.077 69 L CA 1.365 56.276 54.840 0.118 0.000 0.747 69 L CB -0.853 41.231 42.059 0.041 0.000 0.896 69 L HN 0.258 nan 8.230 nan 0.000 0.432 70 R N 0.721 121.248 120.500 0.046 0.000 2.066 70 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 70 R C 2.307 178.615 176.300 0.014 0.000 1.131 70 R CA 1.639 57.756 56.100 0.029 0.000 0.955 70 R CB -0.611 29.704 30.300 0.026 0.000 0.851 70 R HN 0.250 nan 8.270 nan 0.000 0.432 71 L N 1.194 122.421 121.223 0.007 0.000 2.017 71 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 71 L C 2.416 179.251 176.870 -0.058 0.000 1.073 71 L CA 2.310 57.138 54.840 -0.020 0.000 0.745 71 L CB -0.829 41.218 42.059 -0.020 0.000 0.894 71 L HN 0.243 nan 8.230 nan 0.000 0.432 72 A N -0.672 122.099 122.820 -0.081 0.000 1.902 72 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 72 A C 2.463 179.987 177.584 -0.099 0.000 1.181 72 A CA 1.945 53.864 52.037 -0.197 0.000 0.623 72 A CB -0.637 18.135 19.000 -0.380 0.000 0.818 72 A HN 0.510 nan 8.150 nan 0.000 0.443 73 K N -0.301 120.091 120.400 -0.013 0.000 2.057 73 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 73 K C 2.082 178.673 176.600 -0.014 0.000 1.049 73 K CA 1.713 58.004 56.287 0.006 0.000 0.931 73 K CB -0.189 32.329 32.500 0.029 0.000 0.714 73 K HN 0.623 nan 8.250 nan 0.000 0.440 74 E N 0.472 120.661 120.200 -0.018 0.000 2.118 74 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 74 E C 1.672 178.253 176.600 -0.032 0.000 0.992 74 E CA 0.964 57.353 56.400 -0.019 0.000 0.804 74 E CB 0.011 29.703 29.700 -0.014 0.000 0.741 74 E HN 0.354 nan 8.360 nan 0.000 0.458 75 L N -0.713 120.477 121.223 -0.055 0.000 2.599 75 L HA 0.138 4.478 4.340 -0.000 0.000 0.230 75 L C 1.365 178.193 176.870 -0.069 0.000 1.141 75 L CA 0.486 55.284 54.840 -0.070 0.000 0.877 75 L CB 0.184 42.180 42.059 -0.104 0.000 1.009 75 L HN 0.395 nan 8.230 nan 0.000 0.447 76 G N 0.096 108.864 108.800 -0.054 0.000 2.131 76 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.223 76 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.223 76 G C 0.055 174.930 174.900 -0.043 0.000 0.990 76 G CA -0.380 44.696 45.100 -0.040 0.000 0.671 76 G HN 0.185 nan 8.290 nan 0.000 0.521 77 L N -0.158 121.027 121.223 -0.063 0.000 2.399 77 L HA 0.770 5.110 4.340 -0.000 0.000 0.265 77 L C 0.602 177.505 176.870 0.055 0.000 1.089 77 L CA -0.754 54.054 54.840 -0.052 0.000 0.802 77 L CB 1.154 43.087 42.059 -0.212 0.000 1.180 77 L HN 0.170 nan 8.230 nan 0.000 0.454 78 E N -0.244 120.032 120.200 0.127 0.000 2.336 78 E HA 0.457 4.807 4.350 -0.000 0.000 0.267 78 E C -1.044 175.713 176.600 0.263 0.000 0.906 78 E CA -0.688 55.811 56.400 0.166 0.000 0.781 78 E CB 2.564 32.331 29.700 0.112 0.000 1.261 78 E HN 0.672 nan 8.360 nan 0.000 0.436 79 T N -1.370 113.291 114.554 0.178 0.000 2.952 79 T HA 0.644 4.994 4.350 -0.000 0.000 0.286 79 T C -0.751 174.039 174.700 0.150 0.000 1.024 79 T CA -0.678 61.468 62.100 0.077 0.000 1.029 79 T CB 0.753 69.548 68.868 -0.122 0.000 1.094 79 T HN 0.529 nan 8.240 nan 0.000 0.515 80 Y N -1.426 118.874 120.300 -0.000 0.000 2.609 80 Y HA 0.734 5.284 4.550 0.000 0.000 0.342 80 Y C -0.819 175.084 175.900 0.005 0.000 1.058 80 Y CA -1.530 56.581 58.100 0.018 0.000 1.055 80 Y CB 1.412 39.903 38.460 0.052 0.000 1.292 80 Y HN 0.632 nan 8.280 nan 0.000 0.476 81 K N 2.261 122.714 120.400 0.090 0.000 2.234 81 K HA 0.435 4.755 4.320 -0.000 0.000 0.282 81 K C -0.823 175.796 176.600 0.032 0.000 1.039 81 K CA -0.791 55.490 56.287 -0.010 0.000 0.928 81 K CB 1.671 34.195 32.500 0.039 0.000 1.039 81 K HN 0.574 nan 8.250 nan 0.000 0.470 82 V N 3.240 123.116 119.914 -0.064 0.000 2.673 82 V HA -0.109 4.011 4.120 -0.000 0.000 0.303 82 V C 0.565 176.693 176.094 0.057 0.000 1.046 82 V CA -0.140 62.176 62.300 0.026 0.000 1.126 82 V CB 0.307 32.127 31.823 -0.004 0.000 0.934 82 V HN 0.729 nan 8.190 nan 0.000 0.487 83 N N 3.883 122.644 118.700 0.102 0.000 2.438 83 N HA 0.022 4.762 4.740 -0.000 0.000 0.267 83 N C 0.225 175.754 175.510 0.031 0.000 1.222 83 N CA 0.494 53.595 53.050 0.085 0.000 0.930 83 N CB 0.268 38.832 38.487 0.129 0.000 1.083 83 N HN 0.819 nan 8.380 nan 0.000 0.476 84 E N 3.009 123.218 120.200 0.015 0.000 3.191 84 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 84 E C 0.251 176.847 176.600 -0.007 0.000 0.972 84 E CA -0.065 56.325 56.400 -0.015 0.000 1.266 84 E CB 0.255 29.931 29.700 -0.040 0.000 1.076 84 E HN 0.447 nan 8.360 nan 0.000 0.462 85 V N 0.442 120.364 119.914 0.013 0.000 2.323 85 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 85 V C 0.956 177.055 176.094 0.008 0.000 1.041 85 V CA 1.565 63.872 62.300 0.011 0.000 1.025 85 V CB -0.114 31.719 31.823 0.016 0.000 0.656 85 V HN 0.254 nan 8.190 nan 0.000 0.451 86 E N -0.653 119.558 120.200 0.019 0.000 3.099 86 E HA 0.400 4.750 4.350 -0.000 0.000 0.259 86 E C 0.183 176.791 176.600 0.013 0.000 1.274 86 E CA -0.657 55.759 56.400 0.026 0.000 1.111 86 E CB 0.247 29.976 29.700 0.049 0.000 1.327 86 E HN 0.294 nan 8.360 nan 0.000 0.652 87 R N 0.219 120.749 120.500 0.049 0.000 2.490 87 R HA 0.290 4.630 4.340 -0.000 0.000 0.280 87 R C -0.501 175.750 176.300 -0.082 0.000 1.077 87 R CA -0.576 55.526 56.100 0.004 0.000 1.065 87 R CB 0.133 30.502 30.300 0.114 0.000 1.003 87 R HN 0.171 nan 8.270 nan 0.000 0.470 88 L N 2.632 123.631 121.223 -0.374 0.000 2.456 88 L HA 0.369 4.709 4.340 -0.000 0.000 0.257 88 L C 0.210 176.843 176.870 -0.396 0.000 1.162 88 L CA 0.206 54.723 54.840 -0.538 0.000 0.808 88 L CB 0.460 41.892 42.059 -1.045 0.000 1.136 88 L HN 0.463 nan 8.230 nan 0.000 0.466 89 I N 0.381 120.867 120.570 -0.140 0.000 2.465 89 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 89 I C -0.593 175.807 176.117 0.471 0.000 1.014 89 I CA -0.482 60.893 61.300 0.126 0.000 1.093 89 I CB 1.546 39.477 38.000 -0.116 0.000 1.267 89 I HN 0.544 nan 8.210 nan 0.000 0.431 90 H N 5.430 124.813 119.070 0.522 0.000 2.551 90 H HA 0.327 4.883 4.556 -0.000 0.000 0.321 90 H C -1.357 174.211 175.328 0.399 0.000 1.028 90 H CA -0.721 55.582 56.048 0.425 0.000 1.215 90 H CB 0.973 30.907 29.762 0.288 0.000 1.414 90 H HN 0.626 nan 8.280 nan 0.000 0.480 91 H N 4.562 123.730 119.070 0.162 0.000 2.541 91 H HA 0.404 4.960 4.556 -0.000 0.000 0.316 91 H C -1.462 173.844 175.328 -0.036 0.000 1.043 91 H CA -0.434 55.653 56.048 0.065 0.000 1.232 91 H CB 0.853 30.662 29.762 0.079 0.000 1.406 91 H HN 0.340 nan 8.280 nan 0.000 0.469 92 V N 5.811 125.569 119.914 -0.260 0.000 2.808 92 V HA 0.254 4.374 4.120 -0.000 0.000 0.308 92 V C -0.601 175.426 176.094 -0.112 0.000 1.099 92 V CA -0.895 61.301 62.300 -0.172 0.000 0.920 92 V CB 1.501 33.151 31.823 -0.289 0.000 1.014 92 V HN 1.052 nan 8.190 nan 0.000 0.425 93 K N 4.721 125.091 120.400 -0.049 0.000 3.156 93 K HA -0.220 4.100 4.320 -0.000 0.000 0.266 93 K C 0.914 177.475 176.600 -0.065 0.000 0.966 93 K CA 0.886 57.161 56.287 -0.019 0.000 0.719 93 K CB -1.557 30.951 32.500 0.013 0.000 1.333 93 K HN 1.918 nan 8.250 nan 0.000 0.468 94 G N -0.140 108.574 108.800 -0.143 0.000 2.148 94 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G C -0.198 174.534 174.900 -0.281 0.000 0.981 94 G CA 0.980 46.019 45.100 -0.101 0.000 0.670 94 G HN 0.394 nan 8.290 nan 0.000 0.528 95 K N -0.079 119.979 120.400 -0.571 0.000 2.422 95 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 95 K C -0.686 175.561 176.600 -0.589 0.000 0.933 95 K CA -0.678 55.331 56.287 -0.463 0.000 0.798 95 K CB 2.040 34.322 32.500 -0.363 0.000 1.238 95 K HN 0.063 nan 8.250 nan 0.000 0.428 96 S N 1.528 117.025 115.700 -0.338 0.000 2.480 96 S HA 0.391 4.861 4.470 -0.000 0.000 0.286 96 S C -1.184 173.209 174.600 -0.345 0.000 1.180 96 S CA -0.499 57.625 58.200 -0.126 0.000 1.075 96 S CB 0.172 63.403 63.200 0.052 0.000 0.996 96 S HN 0.359 nan 8.310 nan 0.000 0.487 97 Y N 2.642 123.023 120.300 0.135 0.000 2.426 97 Y HA 0.354 4.904 4.550 0.000 0.000 0.325 97 Y C -2.480 173.616 175.900 0.328 0.000 0.989 97 Y CA -2.402 55.819 58.100 0.201 0.000 1.284 97 Y CB 0.867 39.438 38.460 0.185 0.000 1.104 97 Y HN 0.456 nan 8.280 nan 0.000 0.481 98 P HA 0.272 nan 4.420 nan 0.000 0.275 98 P C -0.845 176.743 177.300 0.481 0.000 1.228 98 P CA -0.052 63.268 63.100 0.367 0.000 0.786 98 P CB 0.662 32.569 31.700 0.345 0.000 0.927 99 F N -1.055 119.015 119.950 0.201 0.000 2.741 99 F HA 0.710 5.237 4.527 0.000 0.000 0.313 99 F C -1.092 174.786 175.800 0.129 0.000 1.153 99 F CA -1.320 56.786 58.000 0.176 0.000 0.931 99 F CB 1.445 40.554 39.000 0.182 0.000 1.335 99 F HN 0.054 nan 8.300 nan 0.000 0.460 100 R N 0.818 121.455 120.500 0.228 0.000 2.854 100 R HA 0.784 5.124 4.340 -0.000 0.000 0.271 100 R C -0.428 176.008 176.300 0.226 0.000 0.994 100 R CA -0.805 55.349 56.100 0.090 0.000 0.945 100 R CB 1.796 32.147 30.300 0.085 0.000 1.194 100 R HN 1.488 nan 8.270 nan 0.000 0.476 101 G N 1.503 110.376 108.800 0.122 0.000 2.746 101 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.685 101 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.685 101 G C -2.019 172.985 174.900 0.173 0.000 1.350 101 G CA -0.773 44.412 45.100 0.141 0.000 0.837 101 G HN 0.461 nan 8.290 nan 0.000 0.564 102 P HA 0.113 nan 4.420 nan 0.000 0.222 102 P C 0.494 177.633 177.300 -0.268 0.000 1.153 102 P CA 1.038 64.037 63.100 -0.167 0.000 0.798 102 P CB 0.126 31.579 31.700 -0.411 0.000 0.796 103 F N 1.075 121.016 119.950 -0.014 0.000 2.443 103 F HA 0.440 4.967 4.527 0.000 0.000 0.335 103 F C -2.029 173.538 175.800 -0.387 0.000 1.104 103 F CA -3.007 54.868 58.000 -0.208 0.000 1.013 103 F CB 0.689 39.484 39.000 -0.342 0.000 1.136 103 F HN -0.285 nan 8.300 nan 0.000 0.470 104 P HA 0.107 nan 4.420 nan 0.000 0.268 104 P C -2.453 174.553 177.300 -0.490 0.000 1.204 104 P CA -0.943 61.443 63.100 -1.190 0.000 0.768 104 P CB -0.154 30.980 31.700 -0.943 0.000 0.842 105 P HA 0.116 nan 4.420 nan 0.000 0.274 105 P C -0.929 176.201 177.300 -0.283 0.000 1.231 105 P CA 0.073 63.013 63.100 -0.267 0.000 0.790 105 P CB 0.657 32.245 31.700 -0.188 0.000 0.951 106 V N 1.995 121.694 119.914 -0.359 0.000 2.588 106 V HA 0.238 4.358 4.120 -0.000 0.000 0.304 106 V C 0.140 176.044 176.094 -0.317 0.000 1.042 106 V CA -0.207 61.925 62.300 -0.280 0.000 0.877 106 V CB 1.801 33.417 31.823 -0.345 0.000 0.996 106 V HN 0.687 nan 8.190 nan 0.000 0.425 107 W N 0.766 122.036 121.300 -0.049 0.000 2.699 107 W HA 0.219 4.879 4.660 -0.000 0.000 0.265 107 W C 1.350 177.859 176.519 -0.017 0.000 1.210 107 W CA -0.110 57.214 57.345 -0.035 0.000 1.414 107 W CB 0.271 29.709 29.460 -0.038 0.000 1.043 107 W HN 0.515 nan 8.180 nan 0.000 0.599 108 N N 2.249 121.064 118.700 0.191 0.000 2.412 108 N HA -0.049 4.691 4.740 -0.000 0.000 0.258 108 N C -1.769 173.810 175.510 0.115 0.000 1.236 108 N CA -0.322 52.805 53.050 0.128 0.000 0.882 108 N CB 1.497 40.043 38.487 0.098 0.000 1.066 108 N HN -0.139 nan 8.380 nan 0.000 0.465 109 P HA -0.081 nan 4.420 nan 0.000 0.216 109 P C 1.535 178.907 177.300 0.119 0.000 1.153 109 P CA 0.731 63.885 63.100 0.090 0.000 0.848 109 P CB 0.329 32.063 31.700 0.056 0.000 0.787 110 I N -0.660 119.965 120.570 0.091 0.000 2.252 110 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 110 I C 1.942 178.120 176.117 0.101 0.000 1.102 110 I CA 1.803 63.150 61.300 0.078 0.000 1.385 110 I CB -2.027 36.011 38.000 0.064 0.000 1.064 110 I HN 0.015 nan 8.210 nan 0.000 0.414 111 T N 0.397 115.023 114.554 0.120 0.000 2.746 111 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 111 T C 1.883 176.681 174.700 0.163 0.000 1.039 111 T CA 1.396 63.590 62.100 0.156 0.000 1.142 111 T CB -0.641 68.303 68.868 0.128 0.000 0.866 111 T HN 0.314 nan 8.240 nan 0.000 0.444 112 Y N 1.907 122.208 120.300 0.001 0.000 2.128 112 Y HA -0.148 4.402 4.550 -0.000 0.000 0.284 112 Y C 2.034 177.941 175.900 0.012 0.000 1.154 112 Y CA 1.250 59.325 58.100 -0.042 0.000 1.149 112 Y CB -0.495 37.908 38.460 -0.096 0.000 0.976 112 Y HN 0.109 nan 8.280 nan 0.000 0.505 113 L N -0.189 121.070 121.223 0.060 0.000 2.046 113 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 113 L C 2.170 178.989 176.870 -0.085 0.000 1.077 113 L CA 1.733 56.552 54.840 -0.036 0.000 0.747 113 L CB -0.640 41.430 42.059 0.019 0.000 0.896 113 L HN 0.247 nan 8.230 nan 0.000 0.432 114 D N -0.886 119.507 120.400 -0.011 0.000 2.097 114 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 114 D C 2.192 178.474 176.300 -0.029 0.000 0.984 114 D CA 1.237 55.237 54.000 0.001 0.000 0.826 114 D CB 0.042 40.877 40.800 0.058 0.000 0.973 114 D HN 0.287 nan 8.370 nan 0.000 0.460 115 H N -0.103 118.898 119.070 -0.116 0.000 2.290 115 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 115 H C 2.159 177.434 175.328 -0.087 0.000 1.087 115 H CA 1.296 57.290 56.048 -0.091 0.000 1.291 115 H CB -0.255 29.464 29.762 -0.073 0.000 1.369 115 H HN 0.292 nan 8.280 nan 0.000 0.492 116 N N 1.094 119.686 118.700 -0.180 0.000 2.069 116 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 116 N C 1.821 177.242 175.510 -0.148 0.000 1.031 116 N CA 0.973 53.861 53.050 -0.271 0.000 0.852 116 N CB -0.230 37.940 38.487 -0.529 0.000 1.018 116 N HN 0.412 nan 8.380 nan 0.000 0.423 117 N N -0.144 118.478 118.700 -0.129 0.000 2.188 117 N HA -0.179 4.561 4.740 -0.000 0.000 0.184 117 N C 1.884 177.332 175.510 -0.103 0.000 1.018 117 N CA 0.704 53.690 53.050 -0.106 0.000 0.858 117 N CB -0.257 38.181 38.487 -0.083 0.000 0.989 117 N HN 0.242 nan 8.380 nan 0.000 0.426 118 F N 0.727 120.525 119.950 -0.254 0.000 2.051 118 F HA -0.123 4.404 4.527 -0.000 0.000 0.296 118 F C 1.741 177.324 175.800 -0.362 0.000 1.122 118 F CA 1.628 59.405 58.000 -0.371 0.000 1.201 118 F CB -0.935 37.704 39.000 -0.601 0.000 0.978 118 F HN 0.056 nan 8.300 nan 0.000 0.472 119 W N 0.687 121.659 121.300 -0.547 0.000 2.358 119 W HA -0.098 4.562 4.660 -0.000 0.000 0.303 119 W C 2.849 179.074 176.519 -0.489 0.000 1.208 119 W CA 1.556 58.507 57.345 -0.657 0.000 1.274 119 W CB -0.695 28.469 29.460 -0.492 0.000 1.138 119 W HN -0.053 nan 8.180 nan 0.000 0.515 120 R N 0.123 120.532 120.500 -0.152 0.000 2.091 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 120 R C 1.922 178.112 176.300 -0.184 0.000 1.136 120 R CA 2.242 58.245 56.100 -0.161 0.000 0.959 120 R CB -0.675 29.530 30.300 -0.157 0.000 0.856 120 R HN 0.048 nan 8.270 nan 0.000 0.437 121 T N 1.210 115.632 114.554 -0.221 0.000 2.821 121 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 121 T C 1.828 176.383 174.700 -0.242 0.000 1.046 121 T CA 1.260 63.241 62.100 -0.199 0.000 1.139 121 T CB -0.049 68.721 68.868 -0.164 0.000 0.871 121 T HN 0.159 nan 8.240 nan 0.000 0.454 122 M N 1.691 121.076 119.600 -0.358 0.000 2.082 122 M HA -0.119 4.361 4.480 -0.000 0.000 0.258 122 M C 1.814 178.000 176.300 -0.191 0.000 1.069 122 M CA 1.545 56.663 55.300 -0.302 0.000 1.102 122 M CB -1.083 31.283 32.600 -0.389 0.000 1.336 122 M HN 0.190 nan 8.290 nan 0.000 0.404 123 D N 0.293 120.593 120.400 -0.166 0.000 2.149 123 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 123 D C 1.605 177.843 176.300 -0.103 0.000 0.972 123 D CA 0.950 54.876 54.000 -0.124 0.000 0.835 123 D CB -0.293 40.442 40.800 -0.109 0.000 0.966 123 D HN 0.282 nan 8.370 nan 0.000 0.476 124 D N 0.456 120.793 120.400 -0.105 0.000 2.092 124 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 124 D C 2.200 178.490 176.300 -0.017 0.000 0.994 124 D CA 0.875 54.837 54.000 -0.064 0.000 0.828 124 D CB -0.261 40.500 40.800 -0.065 0.000 0.963 124 D HN 0.238 nan 8.370 nan 0.000 0.450 125 M N 0.117 119.683 119.600 -0.056 0.000 2.117 125 M HA -0.049 4.431 4.480 -0.000 0.000 0.262 125 M C 2.339 178.685 176.300 0.077 0.000 1.065 125 M CA 1.631 56.920 55.300 -0.019 0.000 1.114 125 M CB -0.450 31.896 32.600 -0.424 0.000 1.361 125 M HN 0.033 nan 8.290 nan 0.000 0.408 126 G N 0.268 109.052 108.800 -0.028 0.000 2.450 126 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 126 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 126 G C 1.616 176.515 174.900 -0.002 0.000 1.130 126 G CA 0.598 45.685 45.100 -0.022 0.000 0.760 126 G HN 0.413 nan 8.290 nan 0.000 0.557 127 R N 0.121 120.617 120.500 -0.007 0.000 2.193 127 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 127 R C 1.642 177.947 176.300 0.008 0.000 1.110 127 R CA 0.883 56.972 56.100 -0.018 0.000 0.988 127 R CB 0.039 30.322 30.300 -0.028 0.000 0.871 127 R HN 0.267 nan 8.270 nan 0.000 0.458 128 E N 0.280 120.522 120.200 0.070 0.000 2.479 128 E HA 0.094 4.444 4.350 -0.000 0.000 0.193 128 E C 0.080 176.706 176.600 0.043 0.000 1.049 128 E CA 0.321 56.755 56.400 0.057 0.000 0.870 128 E CB 0.399 30.155 29.700 0.093 0.000 0.944 128 E HN 0.326 nan 8.360 nan 0.000 0.492 129 I N 2.817 123.429 120.570 0.070 0.000 2.328 129 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 129 I C -2.399 173.719 176.117 0.002 0.000 1.012 129 I CA -2.347 58.992 61.300 0.064 0.000 1.195 129 I CB 1.387 39.490 38.000 0.173 0.000 1.350 129 I HN -0.340 nan 8.210 nan 0.000 0.464 130 P HA 0.114 nan 4.420 nan 0.000 0.267 130 P C 0.509 177.778 177.300 -0.053 0.000 1.205 130 P CA 0.159 63.190 63.100 -0.114 0.000 0.765 130 P CB 0.911 32.489 31.700 -0.204 0.000 0.828 131 S N 2.046 117.731 115.700 -0.026 0.000 2.383 131 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 131 S C 1.240 175.933 174.600 0.156 0.000 1.030 131 S CA 1.812 60.073 58.200 0.102 0.000 1.002 131 S CB -0.585 62.586 63.200 -0.049 0.000 0.829 131 S HN 0.679 nan 8.310 nan 0.000 0.467 132 D N 0.386 120.734 120.400 -0.087 0.000 2.339 132 D HA 0.290 4.930 4.640 -0.000 0.000 0.217 132 D C 0.250 176.321 176.300 -0.381 0.000 1.050 132 D CA 0.303 54.205 54.000 -0.164 0.000 0.856 132 D CB 0.083 40.727 40.800 -0.260 0.000 0.922 132 D HN 0.268 nan 8.370 nan 0.000 0.518 133 A N 1.108 123.544 122.820 -0.639 0.000 3.330 133 A HA 0.342 4.662 4.320 -0.000 0.000 0.256 133 A C -2.177 174.634 177.584 -1.289 0.000 1.185 133 A CA -0.752 50.432 52.037 -1.422 0.000 0.940 133 A CB 0.789 19.229 19.000 -0.934 0.000 1.397 133 A HN -0.102 nan 8.150 nan 0.000 0.678 134 P HA -0.177 nan 4.420 nan 0.000 0.219 134 P C 1.232 178.338 177.300 -0.322 0.000 1.146 134 P CA 1.517 64.316 63.100 -0.501 0.000 0.808 134 P CB -0.338 31.046 31.700 -0.526 0.000 0.779 135 W N 0.775 122.004 121.300 -0.119 0.000 2.721 135 W HA 0.123 4.783 4.660 -0.000 0.000 0.245 135 W C 1.278 177.753 176.519 -0.073 0.000 1.276 135 W CA 0.345 57.640 57.345 -0.084 0.000 1.342 135 W CB -1.390 28.016 29.460 -0.090 0.000 1.135 135 W HN -0.103 nan 8.180 nan 0.000 0.654 136 K N 0.813 121.028 120.400 -0.309 0.000 2.404 136 K HA 0.317 4.637 4.320 -0.000 0.000 0.194 136 K C 1.005 177.516 176.600 -0.150 0.000 1.023 136 K CA 0.145 56.327 56.287 -0.175 0.000 1.094 136 K CB 0.018 32.373 32.500 -0.243 0.000 0.841 136 K HN 0.095 nan 8.250 nan 0.000 0.523 137 A N 2.353 125.084 122.820 -0.149 0.000 2.531 137 A HA 0.076 4.396 4.320 -0.000 0.000 0.236 137 A C -1.617 175.842 177.584 -0.208 0.000 1.062 137 A CA -0.970 50.974 52.037 -0.155 0.000 0.760 137 A CB 0.070 19.000 19.000 -0.118 0.000 0.995 137 A HN -0.008 nan 8.150 nan 0.000 0.501 138 P HA -0.134 nan 4.420 nan 0.000 0.216 138 P C 0.476 177.586 177.300 -0.318 0.000 1.150 138 P CA 1.269 64.232 63.100 -0.229 0.000 0.843 138 P CB 0.041 31.619 31.700 -0.204 0.000 0.787 139 L N -2.271 118.607 121.223 -0.574 0.000 3.062 139 L HA 0.365 4.705 4.340 -0.000 0.000 0.255 139 L C 1.824 178.316 176.870 -0.630 0.000 1.274 139 L CA -0.327 54.080 54.840 -0.720 0.000 1.047 139 L CB -0.445 40.904 42.059 -1.184 0.000 1.402 139 L HN -0.110 nan 8.230 nan 0.000 0.550 140 A N 0.556 123.184 122.820 -0.321 0.000 1.873 140 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 140 A C 2.185 179.773 177.584 0.006 0.000 1.193 140 A CA 1.819 53.801 52.037 -0.091 0.000 0.629 140 A CB -0.164 18.831 19.000 -0.009 0.000 0.826 140 A HN 0.524 nan 8.150 nan 0.000 0.447 141 E N -0.967 119.220 120.200 -0.022 0.000 2.047 141 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 141 E C 2.136 178.772 176.600 0.061 0.000 0.987 141 E CA 1.139 57.557 56.400 0.030 0.000 0.799 141 E CB -0.234 29.470 29.700 0.007 0.000 0.752 141 E HN 0.827 nan 8.360 nan 0.000 0.449 142 E N 0.186 120.392 120.200 0.011 0.000 2.070 142 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 142 E C 1.721 178.486 176.600 0.276 0.000 1.004 142 E CA 1.328 57.781 56.400 0.087 0.000 0.805 142 E CB -0.009 29.698 29.700 0.013 0.000 0.744 142 E HN 0.287 nan 8.360 nan 0.000 0.451 143 W N 0.845 122.187 121.300 0.071 0.000 2.476 143 W HA -0.006 4.654 4.660 -0.000 0.000 0.281 143 W C 1.929 178.519 176.519 0.119 0.000 1.230 143 W CA 0.624 58.024 57.345 0.092 0.000 1.287 143 W CB -0.971 28.544 29.460 0.092 0.000 1.108 143 W HN 0.217 nan 8.180 nan 0.000 0.567 144 D N -0.205 120.393 120.400 0.331 0.000 2.269 144 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 144 D C 1.260 177.686 176.300 0.211 0.000 0.963 144 D CA 0.946 55.104 54.000 0.263 0.000 0.864 144 D CB -0.209 40.721 40.800 0.216 0.000 0.936 144 D HN -0.106 nan 8.370 nan 0.000 0.505 145 N N -0.376 118.433 118.700 0.182 0.000 2.383 145 N HA 0.088 4.828 4.740 -0.000 0.000 0.192 145 N C -0.158 175.432 175.510 0.133 0.000 1.141 145 N CA 0.111 53.244 53.050 0.138 0.000 0.851 145 N CB 0.263 38.814 38.487 0.107 0.000 0.976 145 N HN 0.311 nan 8.380 nan 0.000 0.465 146 M N 0.353 120.049 119.600 0.159 0.000 2.465 146 M HA 0.212 4.692 4.480 -0.000 0.000 0.316 146 M C -0.220 176.159 176.300 0.132 0.000 1.121 146 M CA -0.569 54.811 55.300 0.132 0.000 0.934 146 M CB 1.811 34.498 32.600 0.145 0.000 1.692 146 M HN 0.015 nan 8.290 nan 0.000 0.444 147 T N 0.587 115.200 114.554 0.099 0.000 2.816 147 T HA 0.242 4.592 4.350 -0.000 0.000 0.282 147 T C 1.123 175.856 174.700 0.054 0.000 0.993 147 T CA -0.848 61.306 62.100 0.090 0.000 0.994 147 T CB 0.885 69.799 68.868 0.075 0.000 1.025 147 T HN 0.696 nan 8.240 nan 0.000 0.529 148 M N 0.299 119.912 119.600 0.022 0.000 2.279 148 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 148 M C 2.182 178.443 176.300 -0.065 0.000 1.062 148 M CA 1.491 56.761 55.300 -0.049 0.000 1.099 148 M CB -1.271 31.216 32.600 -0.188 0.000 1.394 148 M HN 0.861 nan 8.290 nan 0.000 0.426 149 K N 0.622 120.996 120.400 -0.043 0.000 2.026 149 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 149 K C 1.690 178.271 176.600 -0.032 0.000 1.048 149 K CA 1.586 57.853 56.287 -0.034 0.000 0.929 149 K CB 0.036 32.549 32.500 0.021 0.000 0.713 149 K HN 0.388 nan 8.250 nan 0.000 0.439 150 E N 0.551 120.746 120.200 -0.008 0.000 2.085 150 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 150 E C 2.031 178.620 176.600 -0.018 0.000 0.994 150 E CA 1.123 57.518 56.400 -0.008 0.000 0.801 150 E CB -0.133 29.578 29.700 0.018 0.000 0.743 150 E HN 0.190 nan 8.360 nan 0.000 0.453 151 L N 1.057 122.270 121.223 -0.015 0.000 2.046 151 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 151 L C 2.053 178.904 176.870 -0.031 0.000 1.077 151 L CA 1.533 56.358 54.840 -0.025 0.000 0.747 151 L CB -0.327 41.709 42.059 -0.038 0.000 0.896 151 L HN 0.116 nan 8.230 nan 0.000 0.432 152 L N -0.833 120.360 121.223 -0.050 0.000 2.093 152 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 152 L C 2.180 178.986 176.870 -0.107 0.000 1.085 152 L CA 1.123 55.910 54.840 -0.089 0.000 0.755 152 L CB -0.878 41.092 42.059 -0.149 0.000 0.904 152 L HN 0.265 nan 8.230 nan 0.000 0.435 153 D N 0.390 120.731 120.400 -0.097 0.000 2.144 153 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 153 D C 2.193 178.408 176.300 -0.141 0.000 0.984 153 D CA 1.204 55.133 54.000 -0.119 0.000 0.834 153 D CB 0.032 40.774 40.800 -0.097 0.000 0.955 153 D HN 0.303 nan 8.370 nan 0.000 0.465 154 K N -0.324 120.021 120.400 -0.091 0.000 2.076 154 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 154 K C 1.923 178.509 176.600 -0.023 0.000 1.051 154 K CA 0.286 56.530 56.287 -0.071 0.000 0.949 154 K CB 0.038 32.531 32.500 -0.013 0.000 0.726 154 K HN 0.027 nan 8.250 nan 0.000 0.443 155 L N 0.698 121.928 121.223 0.012 0.000 2.162 155 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 155 L C 0.179 177.141 176.870 0.153 0.000 1.086 155 L CA 1.054 55.955 54.840 0.100 0.000 0.778 155 L CB 0.265 42.374 42.059 0.083 0.000 0.928 155 L HN 0.043 nan 8.230 nan 0.000 0.446 156 C N -0.056 119.252 119.300 0.014 0.000 2.281 156 C HA 0.160 4.620 4.460 -0.000 0.000 0.336 156 C C 0.787 175.786 174.990 0.014 0.000 1.217 156 C CA -0.795 58.218 59.018 -0.009 0.000 1.730 156 C CB -1.172 26.459 27.740 -0.181 0.000 2.338 156 C HN 0.608 nan 8.230 nan 0.000 0.521 157 W N 1.891 123.145 121.300 -0.078 0.000 3.003 157 W HA 0.115 4.775 4.660 -0.000 0.000 0.257 157 W C 1.480 177.973 176.519 -0.044 0.000 1.308 157 W CA 0.185 57.501 57.345 -0.049 0.000 1.529 157 W CB -0.121 29.321 29.460 -0.030 0.000 1.115 157 W HN 0.672 nan 8.180 nan 0.000 0.659 158 T N -3.473 111.150 114.554 0.115 0.000 2.887 158 T HA 0.292 4.642 4.350 -0.000 0.000 0.288 158 T C 0.830 175.521 174.700 -0.015 0.000 1.021 158 T CA -0.632 61.504 62.100 0.059 0.000 1.000 158 T CB 2.570 71.492 68.868 0.089 0.000 1.034 158 T HN -0.213 nan 8.240 nan 0.000 0.467 159 E N 1.107 121.304 120.200 -0.006 0.000 2.150 159 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 159 E C 2.122 178.710 176.600 -0.019 0.000 0.985 159 E CA 1.115 57.499 56.400 -0.026 0.000 0.814 159 E CB -0.388 29.307 29.700 -0.009 0.000 0.752 159 E HN 0.735 nan 8.360 nan 0.000 0.466 160 S N 0.665 116.387 115.700 0.036 0.000 2.353 160 S HA -0.199 4.271 4.470 -0.000 0.000 0.222 160 S C 2.088 176.696 174.600 0.014 0.000 1.035 160 S CA 1.653 59.924 58.200 0.118 0.000 1.025 160 S CB -0.102 63.244 63.200 0.242 0.000 0.902 160 S HN 0.306 nan 8.310 nan 0.000 0.440 161 A N 1.222 123.908 122.820 -0.223 0.000 1.902 161 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 161 A C 2.191 179.433 177.584 -0.570 0.000 1.181 161 A CA 1.812 53.410 52.037 -0.732 0.000 0.623 161 A CB -0.743 17.858 19.000 -0.666 0.000 0.818 161 A HN 0.640 nan 8.150 nan 0.000 0.443 162 K N -0.543 119.641 120.400 -0.359 0.000 2.097 162 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 162 K C 2.239 178.690 176.600 -0.249 0.000 1.049 162 K CA 1.671 57.764 56.287 -0.325 0.000 0.933 162 K CB -0.174 32.204 32.500 -0.204 0.000 0.717 162 K HN 0.646 nan 8.250 nan 0.000 0.442 163 Q N 0.249 119.961 119.800 -0.146 0.000 2.046 163 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 163 Q C 2.113 178.096 176.000 -0.028 0.000 0.975 163 Q CA 1.296 57.069 55.803 -0.050 0.000 0.836 163 Q CB -0.069 28.683 28.738 0.024 0.000 0.896 163 Q HN 0.208 nan 8.270 nan 0.000 0.428 164 L N 0.434 121.627 121.223 -0.051 0.000 2.056 164 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 164 L C 2.124 178.939 176.870 -0.092 0.000 1.078 164 L CA 1.855 56.707 54.840 0.020 0.000 0.749 164 L CB -0.730 41.391 42.059 0.102 0.000 0.901 164 L HN 0.130 nan 8.230 nan 0.000 0.433 165 A N -1.594 120.950 122.820 -0.461 0.000 1.908 165 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 165 A C 2.266 179.742 177.584 -0.180 0.000 1.181 165 A CA 2.345 54.001 52.037 -0.636 0.000 0.627 165 A CB -1.177 16.989 19.000 -1.390 0.000 0.818 165 A HN 0.499 nan 8.150 nan 0.000 0.445 166 T N 0.058 114.508 114.554 -0.173 0.000 2.708 166 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 166 T C 1.873 176.562 174.700 -0.018 0.000 1.037 166 T CA 1.351 63.390 62.100 -0.102 0.000 1.146 166 T CB -0.413 68.405 68.868 -0.083 0.000 0.865 166 T HN 0.413 nan 8.240 nan 0.000 0.435 167 L N 0.322 121.581 121.223 0.059 0.000 2.012 167 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 167 L C 2.242 179.215 176.870 0.172 0.000 1.073 167 L CA 1.640 56.558 54.840 0.131 0.000 0.748 167 L CB -0.432 41.744 42.059 0.195 0.000 0.891 167 L HN 0.219 nan 8.230 nan 0.000 0.431 168 F N -0.167 119.835 119.950 0.087 0.000 2.091 168 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 168 F C 2.100 177.995 175.800 0.157 0.000 1.103 168 F CA 2.179 60.291 58.000 0.187 0.000 1.228 168 F CB -0.787 38.405 39.000 0.320 0.000 0.984 168 F HN -0.103 nan 8.300 nan 0.000 0.477 169 V N 1.111 120.908 119.914 -0.194 0.000 2.295 169 V HA -0.362 3.758 4.120 -0.000 0.000 0.246 169 V C 2.084 178.021 176.094 -0.262 0.000 1.049 169 V CA 2.463 64.467 62.300 -0.493 0.000 1.024 169 V CB -1.103 30.316 31.823 -0.673 0.000 0.648 169 V HN 0.425 nan 8.190 nan 0.000 0.447 170 N N 0.042 118.648 118.700 -0.157 0.000 2.104 170 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 170 N C 1.746 177.206 175.510 -0.084 0.000 1.024 170 N CA 1.321 54.304 53.050 -0.111 0.000 0.853 170 N CB -0.212 38.253 38.487 -0.037 0.000 1.008 170 N HN 0.329 nan 8.380 nan 0.000 0.424 171 L N 0.749 121.956 121.223 -0.026 0.000 2.109 171 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 171 L C 2.022 178.927 176.870 0.057 0.000 1.086 171 L CA 1.383 56.232 54.840 0.014 0.000 0.760 171 L CB -0.549 41.520 42.059 0.018 0.000 0.910 171 L HN 0.220 nan 8.230 nan 0.000 0.437 172 C N -1.332 117.971 119.300 0.006 0.000 2.446 172 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 172 C C 2.230 177.311 174.990 0.152 0.000 1.275 172 C CA 1.022 60.094 59.018 0.091 0.000 1.727 172 C CB -0.528 27.197 27.740 -0.026 0.000 2.010 172 C HN 0.561 nan 8.230 nan 0.000 0.486 173 V N -2.058 117.859 119.914 0.005 0.000 3.276 173 V HA 0.303 4.423 4.120 -0.000 0.000 0.319 173 V C 0.732 176.709 176.094 -0.196 0.000 1.476 173 V CA 0.779 63.049 62.300 -0.050 0.000 1.097 173 V CB -1.310 30.586 31.823 0.123 0.000 0.988 173 V HN 0.535 nan 8.190 nan 0.000 0.473 174 T N -1.386 112.971 114.554 -0.329 0.000 3.760 174 T HA -0.085 4.265 4.350 -0.000 0.000 0.366 174 T C 0.129 174.664 174.700 -0.274 0.000 0.761 174 T CA 1.326 63.203 62.100 -0.371 0.000 1.887 174 T CB -2.578 65.935 68.868 -0.592 0.000 1.811 174 T HN 2.451 nan 8.240 nan 0.000 0.749 175 A N -0.248 122.397 122.820 -0.292 0.000 2.587 175 A HA 0.722 5.042 4.320 -0.000 0.000 0.293 175 A C -0.353 177.011 177.584 -0.366 0.000 1.087 175 A CA -1.062 50.725 52.037 -0.418 0.000 0.692 175 A CB 1.244 19.770 19.000 -0.789 0.000 1.291 175 A HN 0.352 nan 8.150 nan 0.000 0.407 176 E N 0.559 120.503 120.200 -0.428 0.000 2.373 176 E HA 0.215 4.565 4.350 -0.000 0.000 0.263 176 E C 1.263 177.562 176.600 -0.502 0.000 1.073 176 E CA 0.565 56.684 56.400 -0.469 0.000 0.894 176 E CB 0.776 30.027 29.700 -0.747 0.000 1.008 176 E HN 0.806 nan 8.360 nan 0.000 0.420 177 T N -1.283 113.049 114.554 -0.370 0.000 2.833 177 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 177 T C 1.451 176.032 174.700 -0.199 0.000 1.054 177 T CA 1.692 63.629 62.100 -0.272 0.000 1.135 177 T CB -0.393 68.364 68.868 -0.184 0.000 0.869 177 T HN 0.629 nan 8.240 nan 0.000 0.466 178 H N 0.597 119.606 119.070 -0.101 0.000 2.555 178 H HA 0.255 4.811 4.556 -0.000 0.000 0.269 178 H C 1.475 176.773 175.328 -0.050 0.000 0.988 178 H CA 0.784 56.793 56.048 -0.065 0.000 1.178 178 H CB -0.187 29.537 29.762 -0.063 0.000 1.373 178 H HN 0.503 nan 8.280 nan 0.000 0.588 179 E N 1.357 121.368 120.200 -0.315 0.000 2.250 179 E HA 0.041 4.391 4.350 -0.000 0.000 0.192 179 E C 0.801 177.369 176.600 -0.053 0.000 0.986 179 E CA 0.459 56.751 56.400 -0.181 0.000 0.849 179 E CB 0.787 30.231 29.700 -0.427 0.000 0.797 179 E HN 0.361 nan 8.360 nan 0.000 0.482 180 V N -1.024 118.852 119.914 -0.064 0.000 2.667 180 V HA 0.419 4.539 4.120 -0.000 0.000 0.308 180 V C -0.011 176.222 176.094 0.231 0.000 1.048 180 V CA -1.158 61.218 62.300 0.125 0.000 0.928 180 V CB 1.851 33.792 31.823 0.197 0.000 1.004 180 V HN -0.032 nan 8.190 nan 0.000 0.444 181 S N 3.319 119.231 115.700 0.353 0.000 2.549 181 S HA 0.437 4.907 4.470 -0.000 0.000 0.286 181 S C 1.440 176.288 174.600 0.414 0.000 1.314 181 S CA 0.198 58.618 58.200 0.366 0.000 1.062 181 S CB 0.946 64.397 63.200 0.417 0.000 0.865 181 S HN 1.756 nan 8.310 nan 0.000 0.498 182 A N 4.845 127.839 122.820 0.291 0.000 1.902 182 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 182 A C 2.017 179.775 177.584 0.290 0.000 1.181 182 A CA 1.560 53.740 52.037 0.238 0.000 0.623 182 A CB -0.903 18.162 19.000 0.108 0.000 0.818 182 A HN 0.943 nan 8.150 nan 0.000 0.443 183 L N -1.416 120.024 121.223 0.362 0.000 2.012 183 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 183 L C 2.232 179.338 176.870 0.393 0.000 1.073 183 L CA 2.561 57.646 54.840 0.407 0.000 0.748 183 L CB -0.806 41.496 42.059 0.404 0.000 0.891 183 L HN 0.662 nan 8.230 nan 0.000 0.431 184 W N -0.611 120.853 121.300 0.272 0.000 2.358 184 W HA -0.285 4.375 4.660 -0.000 0.000 0.303 184 W C 2.344 179.126 176.519 0.438 0.000 1.208 184 W CA 1.917 59.442 57.345 0.300 0.000 1.274 184 W CB -0.657 28.956 29.460 0.255 0.000 1.138 184 W HN 0.288 nan 8.180 nan 0.000 0.515 185 F N 0.743 120.744 119.950 0.085 0.000 2.134 185 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 185 F C 2.071 177.780 175.800 -0.150 0.000 1.097 185 F CA 2.098 59.949 58.000 -0.249 0.000 1.264 185 F CB -0.635 38.352 39.000 -0.022 0.000 1.001 185 F HN -0.169 nan 8.300 nan 0.000 0.479 186 L N -1.316 119.912 121.223 0.009 0.000 2.083 186 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 186 L C 2.286 179.080 176.870 -0.127 0.000 1.083 186 L CA 1.594 56.384 54.840 -0.084 0.000 0.752 186 L CB -1.025 41.016 42.059 -0.032 0.000 0.899 186 L HN 0.434 nan 8.230 nan 0.000 0.433 187 W N 0.114 121.291 121.300 -0.206 0.000 2.335 187 W HA -0.322 4.338 4.660 -0.000 0.000 0.311 187 W C 2.631 178.942 176.519 -0.347 0.000 1.213 187 W CA 1.638 58.846 57.345 -0.229 0.000 1.274 187 W CB -0.662 28.696 29.460 -0.169 0.000 1.148 187 W HN 0.107 nan 8.180 nan 0.000 0.498 188 Y N 0.580 120.428 120.300 -0.753 0.000 2.128 188 Y HA -0.316 4.234 4.550 -0.000 0.000 0.284 188 Y C 2.394 177.749 175.900 -0.909 0.000 1.154 188 Y CA 3.073 60.534 58.100 -1.065 0.000 1.149 188 Y CB -0.804 37.000 38.460 -1.093 0.000 0.976 188 Y HN -0.137 nan 8.280 nan 0.000 0.505 189 V N 0.870 120.376 119.914 -0.680 0.000 2.307 189 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 189 V C 2.496 178.277 176.094 -0.522 0.000 1.045 189 V CA 2.190 64.174 62.300 -0.526 0.000 1.024 189 V CB -0.693 30.912 31.823 -0.364 0.000 0.651 189 V HN 0.315 nan 8.190 nan 0.000 0.449 190 K N 1.161 121.270 120.400 -0.485 0.000 2.063 190 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 190 K C 2.145 178.423 176.600 -0.537 0.000 1.048 190 K CA 2.326 58.364 56.287 -0.415 0.000 0.928 190 K CB -0.189 32.136 32.500 -0.291 0.000 0.713 190 K HN 0.721 nan 8.250 nan 0.000 0.442 191 Q N -0.807 118.525 119.800 -0.780 0.000 2.472 191 Q HA -0.004 4.336 4.340 -0.000 0.000 0.208 191 Q C 1.549 177.040 176.000 -0.848 0.000 0.958 191 Q CA 1.022 56.361 55.803 -0.775 0.000 0.932 191 Q CB -0.480 27.620 28.738 -1.063 0.000 1.007 191 Q HN 0.159 nan 8.270 nan 0.000 0.508 192 C N -0.176 118.484 119.300 -1.066 0.000 2.791 192 C HA 0.595 5.055 4.460 -0.000 0.000 0.270 192 C C 1.564 175.808 174.990 -1.244 0.000 1.257 192 C CA 0.246 58.245 59.018 -1.698 0.000 1.699 192 C CB -0.740 26.028 27.740 -1.620 0.000 1.904 192 C HN 0.831 nan 8.230 nan 0.000 0.603 193 G N -0.070 108.332 108.800 -0.662 0.000 2.163 193 G HA2 0.315 4.275 3.960 -0.000 0.000 0.213 193 G HA3 0.315 4.275 3.960 -0.000 0.000 0.213 193 G C 0.440 175.179 174.900 -0.269 0.000 0.991 193 G CA -0.011 44.868 45.100 -0.368 0.000 0.653 193 G HN 1.608 nan 8.290 nan 0.000 0.518 194 G N -1.937 106.685 108.800 -0.297 0.000 2.592 194 G HA2 0.328 4.288 3.960 -0.000 0.000 0.684 194 G HA3 0.328 4.288 3.960 -0.000 0.000 0.684 194 G C 1.034 175.877 174.900 -0.095 0.000 1.291 194 G CA 0.975 45.968 45.100 -0.178 0.000 0.891 194 G HN 1.831 nan 8.290 nan 0.000 0.544 195 T N -2.914 111.632 114.554 -0.012 0.000 2.708 195 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 195 T C 2.363 177.060 174.700 -0.005 0.000 1.037 195 T CA 2.991 65.137 62.100 0.076 0.000 1.146 195 T CB -0.902 68.064 68.868 0.162 0.000 0.865 195 T HN 1.003 nan 8.240 nan 0.000 0.435 196 T N 1.389 115.941 114.554 -0.003 0.000 2.684 196 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 196 T C 2.130 176.778 174.700 -0.086 0.000 1.036 196 T CA 1.596 63.662 62.100 -0.056 0.000 1.148 196 T CB -0.347 68.534 68.868 0.022 0.000 0.863 196 T HN 0.311 nan 8.240 nan 0.000 0.436 197 R N 0.887 121.359 120.500 -0.045 0.000 2.081 197 R HA 0.114 4.454 4.340 -0.000 0.000 0.235 197 R C 2.212 178.546 176.300 0.057 0.000 1.131 197 R CA 1.224 57.324 56.100 0.000 0.000 0.960 197 R CB -0.838 29.453 30.300 -0.016 0.000 0.856 197 R HN 0.462 nan 8.270 nan 0.000 0.436 198 I N 0.242 120.822 120.570 0.017 0.000 2.439 198 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 198 I C 1.550 177.748 176.117 0.135 0.000 1.139 198 I CA 1.137 62.504 61.300 0.112 0.000 1.438 198 I CB 0.081 38.128 38.000 0.079 0.000 1.085 198 I HN 0.326 nan 8.210 nan 0.000 0.427 199 I N -2.593 117.996 120.570 0.031 0.000 3.603 199 I HA 0.149 4.319 4.170 -0.000 0.000 0.297 199 I C 0.755 176.793 176.117 -0.131 0.000 1.269 199 I CA 0.017 61.283 61.300 -0.056 0.000 1.361 199 I CB -0.104 37.756 38.000 -0.234 0.000 1.063 199 I HN -0.117 nan 8.210 nan 0.000 0.448 200 S N 1.161 116.789 115.700 -0.120 0.000 2.562 200 S HA 0.304 4.774 4.470 -0.000 0.000 0.275 200 S C 0.967 175.529 174.600 -0.064 0.000 1.281 200 S CA -0.297 57.832 58.200 -0.118 0.000 1.045 200 S CB 1.607 64.739 63.200 -0.112 0.000 0.962 200 S HN 0.315 nan 8.310 nan 0.000 0.503 201 T N 2.319 116.833 114.554 -0.067 0.000 2.764 201 T HA 0.016 4.366 4.350 -0.000 0.000 0.243 201 T C 0.626 175.286 174.700 -0.066 0.000 1.065 201 T CA 0.688 62.743 62.100 -0.074 0.000 1.219 201 T CB -0.351 68.472 68.868 -0.076 0.000 0.918 201 T HN 0.605 nan 8.240 nan 0.000 0.409 202 T N 3.543 118.063 114.554 -0.056 0.000 2.831 202 T HA 0.109 4.459 4.350 -0.000 0.000 0.291 202 T C 0.685 175.361 174.700 -0.041 0.000 0.981 202 T CA 0.382 62.456 62.100 -0.043 0.000 1.174 202 T CB -0.184 68.664 68.868 -0.032 0.000 0.929 202 T HN 0.518 nan 8.240 nan 0.000 0.532 203 N N 0.852 119.531 118.700 -0.035 0.000 2.782 203 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 203 N C 0.125 175.626 175.510 -0.016 0.000 1.101 203 N CA 1.398 54.434 53.050 -0.024 0.000 0.764 203 N CB -1.056 37.421 38.487 -0.016 0.000 1.122 203 N HN 0.962 nan 8.380 nan 0.000 0.561 204 G N -3.143 105.641 108.800 -0.026 0.000 2.975 204 G HA2 0.564 4.524 3.960 -0.000 0.000 0.291 204 G HA3 0.564 4.524 3.960 -0.000 0.000 0.291 204 G C 0.956 175.842 174.900 -0.024 0.000 1.334 204 G CA -0.025 45.080 45.100 0.007 0.000 0.843 204 G HN 0.302 nan 8.290 nan 0.000 0.548 205 G N -0.918 107.906 108.800 0.040 0.000 2.479 205 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.220 205 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.220 205 G C 1.148 176.007 174.900 -0.068 0.000 1.115 205 G CA 1.008 46.067 45.100 -0.068 0.000 0.757 205 G HN 0.404 nan 8.290 nan 0.000 0.560 206 Q N -0.438 119.313 119.800 -0.082 0.000 2.201 206 Q HA 0.274 4.614 4.340 -0.000 0.000 0.217 206 Q C 1.631 177.545 176.000 -0.142 0.000 0.860 206 Q CA -0.122 55.564 55.803 -0.195 0.000 0.984 206 Q CB 0.727 29.262 28.738 -0.340 0.000 1.095 206 Q HN 0.624 nan 8.270 nan 0.000 0.477 207 E N 0.513 120.649 120.200 -0.107 0.000 2.110 207 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 207 E C -0.040 176.490 176.600 -0.117 0.000 0.988 207 E CA 0.786 57.126 56.400 -0.101 0.000 0.804 207 E CB 0.433 30.074 29.700 -0.098 0.000 0.745 207 E HN 0.160 nan 8.360 nan 0.000 0.458 208 R N -0.845 119.567 120.500 -0.147 0.000 2.836 208 R HA 0.463 4.803 4.340 -0.000 0.000 0.269 208 R C -1.067 175.030 176.300 -0.339 0.000 1.010 208 R CA -0.738 55.198 56.100 -0.274 0.000 0.930 208 R CB 2.007 32.127 30.300 -0.301 0.000 1.218 208 R HN -0.178 nan 8.270 nan 0.000 0.473 209 K N 0.595 120.633 120.400 -0.603 0.000 2.400 209 K HA 0.439 4.759 4.320 -0.000 0.000 0.246 209 K C -1.135 175.165 176.600 -0.499 0.000 0.995 209 K CA -0.701 55.243 56.287 -0.572 0.000 0.840 209 K CB 1.566 33.773 32.500 -0.488 0.000 1.293 209 K HN 0.243 nan 8.250 nan 0.000 0.445 210 F N 1.097 120.998 119.950 -0.081 0.000 2.427 210 F HA 0.144 4.671 4.527 -0.000 0.000 0.352 210 F C 0.481 176.349 175.800 0.113 0.000 1.100 210 F CA -0.935 57.065 58.000 -0.001 0.000 1.191 210 F CB 0.927 39.900 39.000 -0.046 0.000 1.128 210 F HN 0.012 nan 8.300 nan 0.000 0.533 211 V N 3.796 123.921 119.914 0.352 0.000 2.493 211 V HA 0.204 4.324 4.120 -0.000 0.000 0.292 211 V C 0.950 176.945 176.094 -0.166 0.000 1.016 211 V CA 1.252 63.669 62.300 0.196 0.000 1.097 211 V CB 0.075 31.991 31.823 0.155 0.000 0.947 211 V HN 1.114 nan 8.190 nan 0.000 0.479 212 G N 3.322 111.628 108.800 -0.823 0.000 2.195 212 G HA2 0.140 4.100 3.960 -0.000 0.000 0.246 212 G HA3 0.140 4.100 3.960 -0.000 0.000 0.246 212 G C 0.782 175.177 174.900 -0.841 0.000 0.984 212 G CA -0.081 44.263 45.100 -1.261 0.000 0.633 212 G HN 2.423 nan 8.290 nan 0.000 0.525 213 G N -1.477 107.111 108.800 -0.353 0.000 2.617 213 G HA2 0.378 4.338 3.960 -0.000 0.000 0.686 213 G HA3 0.378 4.338 3.960 -0.000 0.000 0.686 213 G C 0.802 175.714 174.900 0.020 0.000 1.214 213 G CA 0.853 45.935 45.100 -0.030 0.000 0.796 213 G HN 1.872 nan 8.290 nan 0.000 0.654 214 S N -0.004 115.761 115.700 0.108 0.000 2.453 214 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 214 S C 2.549 177.143 174.600 -0.010 0.000 1.005 214 S CA 1.635 59.899 58.200 0.106 0.000 0.949 214 S CB -0.072 63.245 63.200 0.196 0.000 0.774 214 S HN 2.186 nan 8.310 nan 0.000 0.510 215 G N 1.401 110.204 108.800 0.006 0.000 2.462 215 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 215 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 215 G C 1.451 176.325 174.900 -0.043 0.000 1.121 215 G CA 0.712 45.817 45.100 0.008 0.000 0.758 215 G HN 0.634 nan 8.290 nan 0.000 0.559 216 Q N -0.268 119.472 119.800 -0.099 0.000 2.226 216 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 216 Q C 2.751 178.661 176.000 -0.150 0.000 0.975 216 Q CA 0.951 56.676 55.803 -0.130 0.000 0.866 216 Q CB -0.157 28.477 28.738 -0.172 0.000 0.915 216 Q HN 0.440 nan 8.270 nan 0.000 0.440 217 V N 0.218 120.019 119.914 -0.188 0.000 2.255 217 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 217 V C 2.114 178.149 176.094 -0.098 0.000 1.051 217 V CA 2.160 64.352 62.300 -0.181 0.000 1.018 217 V CB -0.576 31.125 31.823 -0.203 0.000 0.641 217 V HN 0.295 nan 8.190 nan 0.000 0.445 218 S N -0.800 114.866 115.700 -0.056 0.000 2.387 218 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 218 S C 1.902 176.484 174.600 -0.031 0.000 1.026 218 S CA 1.313 59.496 58.200 -0.027 0.000 0.972 218 S CB -0.232 62.973 63.200 0.009 0.000 0.814 218 S HN 0.679 nan 8.310 nan 0.000 0.477 219 E N 1.105 121.285 120.200 -0.034 0.000 2.051 219 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 219 E C 2.325 178.896 176.600 -0.048 0.000 0.991 219 E CA 0.843 57.224 56.400 -0.033 0.000 0.799 219 E CB -0.071 29.610 29.700 -0.033 0.000 0.748 219 E HN 0.351 nan 8.360 nan 0.000 0.449 220 R N 0.228 120.689 120.500 -0.065 0.000 2.148 220 R HA -0.022 4.318 4.340 -0.000 0.000 0.223 220 R C 2.291 178.552 176.300 -0.064 0.000 1.088 220 R CA 0.767 56.827 56.100 -0.067 0.000 0.985 220 R CB -0.132 30.118 30.300 -0.082 0.000 0.880 220 R HN 0.224 nan 8.270 nan 0.000 0.451 221 I N 0.553 121.084 120.570 -0.065 0.000 2.353 221 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 221 I C 2.625 178.696 176.117 -0.076 0.000 1.119 221 I CA 1.002 62.261 61.300 -0.068 0.000 1.417 221 I CB -0.159 37.806 38.000 -0.058 0.000 1.078 221 I HN 0.189 nan 8.210 nan 0.000 0.421 222 M N 0.969 120.533 119.600 -0.060 0.000 2.108 222 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 222 M C 1.667 177.930 176.300 -0.062 0.000 1.066 222 M CA 1.997 57.262 55.300 -0.058 0.000 1.107 222 M CB -0.202 32.375 32.600 -0.038 0.000 1.356 222 M HN 0.134 nan 8.290 nan 0.000 0.406 223 D N 0.706 121.073 120.400 -0.055 0.000 2.104 223 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 223 D C 2.054 178.317 176.300 -0.061 0.000 0.994 223 D CA 1.510 55.480 54.000 -0.049 0.000 0.830 223 D CB -0.535 40.240 40.800 -0.042 0.000 0.959 223 D HN 0.435 nan 8.370 nan 0.000 0.452 224 L N 0.075 121.252 121.223 -0.078 0.000 2.046 224 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 224 L C 2.432 179.195 176.870 -0.179 0.000 1.077 224 L CA 0.740 55.521 54.840 -0.099 0.000 0.747 224 L CB -0.291 41.710 42.059 -0.096 0.000 0.896 224 L HN 0.029 nan 8.230 nan 0.000 0.432 225 L N -1.109 119.991 121.223 -0.205 0.000 2.418 225 L HA 0.113 4.453 4.340 -0.000 0.000 0.218 225 L C 1.667 178.452 176.870 -0.143 0.000 1.125 225 L CA 0.424 55.102 54.840 -0.270 0.000 0.835 225 L CB -0.738 41.187 42.059 -0.223 0.000 0.953 225 L HN 0.455 nan 8.230 nan 0.000 0.454 226 G N 1.879 110.626 108.800 -0.089 0.000 2.591 226 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.298 226 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.298 226 G C 0.501 175.381 174.900 -0.033 0.000 1.195 226 G CA 0.509 45.581 45.100 -0.046 0.000 0.989 226 G HN 0.506 nan 8.290 nan 0.000 0.551 227 D N 0.940 121.331 120.400 -0.014 0.000 2.363 227 D HA 0.048 4.688 4.640 -0.000 0.000 0.226 227 D C 2.057 178.360 176.300 0.004 0.000 1.020 227 D CA 0.843 54.844 54.000 0.000 0.000 0.892 227 D CB -0.311 40.498 40.800 0.014 0.000 0.900 227 D HN 0.634 nan 8.370 nan 0.000 0.531 228 R N -0.073 120.420 120.500 -0.013 0.000 2.189 228 R HA 0.096 4.436 4.340 -0.000 0.000 0.218 228 R C 0.271 176.551 176.300 -0.034 0.000 1.074 228 R CA 0.282 56.374 56.100 -0.012 0.000 0.991 228 R CB 0.252 30.536 30.300 -0.026 0.000 0.883 228 R HN 0.093 nan 8.270 nan 0.000 0.457 229 V N 3.024 122.913 119.914 -0.042 0.000 2.406 229 V HA 0.109 4.229 4.120 -0.000 0.000 0.272 229 V C -0.079 175.990 176.094 -0.041 0.000 1.043 229 V CA -0.342 61.928 62.300 -0.051 0.000 0.915 229 V CB 1.295 33.089 31.823 -0.048 0.000 0.988 229 V HN 0.043 nan 8.190 nan 0.000 0.466 230 K N 6.475 126.838 120.400 -0.062 0.000 2.334 230 K HA 0.536 4.856 4.320 -0.000 0.000 0.265 230 K C -0.682 175.885 176.600 -0.055 0.000 1.039 230 K CA -0.322 55.938 56.287 -0.045 0.000 0.920 230 K CB 1.825 34.291 32.500 -0.057 0.000 1.160 230 K HN 0.503 nan 8.250 nan 0.000 0.451 231 L N 1.609 122.811 121.223 -0.035 0.000 2.399 231 L HA 0.173 4.513 4.340 -0.000 0.000 0.266 231 L C 0.726 177.569 176.870 -0.044 0.000 1.114 231 L CA -0.167 54.648 54.840 -0.042 0.000 0.804 231 L CB 0.250 42.294 42.059 -0.025 0.000 1.146 231 L HN 0.704 nan 8.230 nan 0.000 0.451 232 E N 0.716 120.876 120.200 -0.067 0.000 2.389 232 E HA -0.226 4.124 4.350 -0.000 0.000 0.243 232 E C -0.511 176.047 176.600 -0.070 0.000 1.154 232 E CA 0.299 56.656 56.400 -0.071 0.000 0.723 232 E CB -0.769 28.907 29.700 -0.039 0.000 1.261 232 E HN 0.377 nan 8.360 nan 0.000 0.390 233 R N 0.215 120.659 120.500 -0.093 0.000 2.724 233 R HA 0.247 4.587 4.340 -0.000 0.000 0.284 233 R C -2.713 173.517 176.300 -0.117 0.000 1.481 233 R CA -1.916 54.140 56.100 -0.075 0.000 1.652 233 R CB 0.634 30.896 30.300 -0.063 0.000 1.175 233 R HN -0.019 nan 8.270 nan 0.000 0.613 234 P HA 0.023 nan 4.420 nan 0.000 0.271 234 P C -0.300 176.972 177.300 -0.046 0.000 1.226 234 P CA -0.195 62.811 63.100 -0.158 0.000 0.765 234 P CB 0.943 32.559 31.700 -0.139 0.000 0.835 235 V N 5.542 125.436 119.914 -0.033 0.000 2.555 235 V HA 0.050 4.170 4.120 -0.000 0.000 0.286 235 V C 1.704 177.823 176.094 0.042 0.000 1.044 235 V CA 0.468 62.771 62.300 0.005 0.000 1.026 235 V CB 0.263 32.077 31.823 -0.016 0.000 0.981 235 V HN 0.541 nan 8.190 nan 0.000 0.480 236 I N 1.756 122.366 120.570 0.067 0.000 4.323 236 I HA 0.455 4.625 4.170 -0.000 0.000 0.328 236 I C -0.028 176.187 176.117 0.163 0.000 1.310 236 I CA 0.075 61.443 61.300 0.114 0.000 1.186 236 I CB 0.634 38.688 38.000 0.089 0.000 1.130 236 I HN 0.498 nan 8.210 nan 0.000 0.411 237 Y N 1.860 122.116 120.300 -0.073 0.000 2.436 237 Y HA 0.676 5.226 4.550 -0.000 0.000 0.327 237 Y C -1.916 173.910 175.900 -0.123 0.000 1.138 237 Y CA -1.463 56.575 58.100 -0.104 0.000 1.042 237 Y CB 1.610 40.041 38.460 -0.049 0.000 1.302 237 Y HN -0.012 nan 8.280 nan 0.000 0.439 238 I N 5.826 125.974 120.570 -0.703 0.000 2.447 238 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 238 I C -1.343 174.394 176.117 -0.634 0.000 1.023 238 I CA -0.687 60.296 61.300 -0.528 0.000 1.083 238 I CB 1.820 39.654 38.000 -0.276 0.000 1.245 238 I HN 0.519 nan 8.210 nan 0.000 0.434 239 D N 6.067 126.174 120.400 -0.489 0.000 2.425 239 D HA 0.275 4.915 4.640 -0.000 0.000 0.240 239 D C -0.256 175.982 176.300 -0.103 0.000 1.080 239 D CA -0.197 53.616 54.000 -0.312 0.000 0.836 239 D CB 1.615 42.286 40.800 -0.215 0.000 1.125 239 D HN 0.513 nan 8.370 nan 0.000 0.525 240 Q N 1.699 121.474 119.800 -0.042 0.000 2.175 240 Q HA 0.075 4.415 4.340 -0.000 0.000 0.225 240 Q C 1.166 177.166 176.000 0.000 0.000 0.837 240 Q CA -0.007 55.789 55.803 -0.012 0.000 1.032 240 Q CB 0.781 29.525 28.738 0.010 0.000 1.137 240 Q HN 0.536 nan 8.270 nan 0.000 0.483 241 T N -2.506 112.053 114.554 0.008 0.000 3.088 241 T HA 0.122 4.472 4.350 -0.000 0.000 0.259 241 T C 0.860 175.568 174.700 0.012 0.000 1.122 241 T CA 0.196 62.307 62.100 0.019 0.000 1.095 241 T CB 0.267 69.156 68.868 0.035 0.000 0.930 241 T HN 0.073 nan 8.240 nan 0.000 0.508 242 R N 0.106 120.609 120.500 0.005 0.000 2.943 242 R HA 0.490 4.830 4.340 -0.000 0.000 0.246 242 R C 1.262 177.554 176.300 -0.013 0.000 1.201 242 R CA -0.784 55.316 56.100 0.001 0.000 1.056 242 R CB 0.966 31.270 30.300 0.007 0.000 1.243 242 R HN 0.109 nan 8.270 nan 0.000 0.498 243 E N 0.759 120.949 120.200 -0.016 0.000 2.070 243 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 243 E C -0.239 176.331 176.600 -0.050 0.000 1.004 243 E CA 1.294 57.677 56.400 -0.029 0.000 0.805 243 E CB 0.161 29.847 29.700 -0.023 0.000 0.744 243 E HN 0.284 nan 8.360 nan 0.000 0.451 244 N N 0.179 118.855 118.700 -0.041 0.000 2.456 244 N HA 0.177 4.917 4.740 -0.000 0.000 0.296 244 N C -1.019 174.469 175.510 -0.038 0.000 1.102 244 N CA -0.385 52.634 53.050 -0.051 0.000 0.924 244 N CB 2.044 40.512 38.487 -0.032 0.000 1.186 244 N HN -0.128 nan 8.380 nan 0.000 0.492 245 V N 2.231 122.117 119.914 -0.047 0.000 2.637 245 V HA 0.179 4.299 4.120 -0.000 0.000 0.296 245 V C 0.487 176.578 176.094 -0.004 0.000 1.046 245 V CA -0.262 62.021 62.300 -0.028 0.000 1.066 245 V CB 0.242 32.050 31.823 -0.025 0.000 0.968 245 V HN 0.365 nan 8.190 nan 0.000 0.483 246 L N 5.459 126.676 121.223 -0.010 0.000 2.296 246 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 246 L C -0.653 176.221 176.870 0.006 0.000 1.023 246 L CA -0.581 54.272 54.840 0.021 0.000 0.812 246 L CB 1.816 43.901 42.059 0.044 0.000 1.223 246 L HN 0.369 nan 8.230 nan 0.000 0.421 247 V N 2.735 122.695 119.914 0.076 0.000 2.378 247 V HA 0.343 4.463 4.120 -0.000 0.000 0.288 247 V C -0.205 175.995 176.094 0.176 0.000 1.016 247 V CA -0.622 61.727 62.300 0.081 0.000 0.840 247 V CB 1.727 33.592 31.823 0.070 0.000 0.994 247 V HN 0.728 nan 8.190 nan 0.000 0.431 248 E N 2.955 123.261 120.200 0.176 0.000 2.191 248 E HA 0.643 4.993 4.350 -0.000 0.000 0.274 248 E C -0.227 176.468 176.600 0.159 0.000 0.948 248 E CA -0.456 56.067 56.400 0.205 0.000 0.802 248 E CB 1.763 31.612 29.700 0.249 0.000 1.137 248 E HN 0.840 nan 8.360 nan 0.000 0.397 249 T N 0.974 115.620 114.554 0.154 0.000 2.952 249 T HA 0.204 4.554 4.350 -0.000 0.000 0.286 249 T C 0.913 175.636 174.700 0.038 0.000 1.024 249 T CA -0.845 61.309 62.100 0.090 0.000 1.029 249 T CB 1.148 70.079 68.868 0.106 0.000 1.094 249 T HN 0.441 nan 8.240 nan 0.000 0.515 250 L N 1.599 122.815 121.223 -0.012 0.000 2.131 250 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 250 L C 1.846 178.570 176.870 -0.244 0.000 1.092 250 L CA 2.024 56.816 54.840 -0.080 0.000 0.759 250 L CB -1.090 40.944 42.059 -0.042 0.000 0.903 250 L HN 0.932 nan 8.230 nan 0.000 0.435 251 N N -2.562 116.034 118.700 -0.173 0.000 2.413 251 N HA -0.069 4.671 4.740 -0.000 0.000 0.207 251 N C 0.173 175.601 175.510 -0.135 0.000 1.206 251 N CA 0.482 53.400 53.050 -0.220 0.000 0.832 251 N CB -0.454 37.985 38.487 -0.079 0.000 1.037 251 N HN 0.551 nan 8.380 nan 0.000 0.467 252 H N -2.868 116.216 119.070 0.023 0.000 3.642 252 H HA -0.158 4.398 4.556 -0.000 0.000 0.185 252 H C -0.730 174.602 175.328 0.006 0.000 0.992 252 H CA 0.688 56.740 56.048 0.008 0.000 1.216 252 H CB -1.379 28.378 29.762 -0.008 0.000 1.055 252 H HN 0.529 nan 8.280 nan 0.000 0.351 253 E N 1.384 121.656 120.200 0.120 0.000 2.366 253 E HA 0.282 4.632 4.350 -0.000 0.000 0.266 253 E C 0.183 176.798 176.600 0.025 0.000 1.051 253 E CA -0.173 56.248 56.400 0.036 0.000 0.884 253 E CB 0.688 30.429 29.700 0.068 0.000 1.006 253 E HN 0.068 nan 8.360 nan 0.000 0.417 254 M N 2.438 121.950 119.600 -0.146 0.000 2.311 254 M HA 0.351 4.830 4.480 -0.000 0.000 0.325 254 M C -1.262 174.847 176.300 -0.319 0.000 1.061 254 M CA -0.621 54.626 55.300 -0.090 0.000 0.957 254 M CB 0.882 33.453 32.600 -0.049 0.000 1.646 254 M HN 0.466 nan 8.290 nan 0.000 0.434 255 Y N 0.305 120.620 120.300 0.026 0.000 2.409 255 Y HA 0.486 5.036 4.550 -0.000 0.000 0.343 255 Y C 0.013 175.920 175.900 0.011 0.000 0.973 255 Y CA -0.688 57.422 58.100 0.016 0.000 1.064 255 Y CB 1.847 40.314 38.460 0.013 0.000 1.207 255 Y HN 0.577 nan 8.280 nan 0.000 0.452 256 E N 1.877 122.156 120.200 0.132 0.000 2.199 256 E HA 0.840 5.190 4.350 -0.000 0.000 0.265 256 E C -1.501 175.140 176.600 0.068 0.000 0.882 256 E CA -0.692 55.750 56.400 0.070 0.000 0.759 256 E CB 1.310 31.026 29.700 0.028 0.000 1.148 256 E HN 0.766 nan 8.360 nan 0.000 0.412 257 A N 3.577 126.420 122.820 0.039 0.000 2.594 257 A HA 0.366 4.686 4.320 -0.000 0.000 0.291 257 A C -0.056 177.504 177.584 -0.040 0.000 1.105 257 A CA -0.643 51.409 52.037 0.026 0.000 0.694 257 A CB 1.515 20.548 19.000 0.055 0.000 1.291 257 A HN 0.680 nan 8.150 nan 0.000 0.410 258 K N -0.726 119.633 120.400 -0.070 0.000 2.116 258 K HA 0.090 4.410 4.320 -0.000 0.000 0.203 258 K C -0.618 175.657 176.600 -0.541 0.000 1.052 258 K CA 1.522 57.635 56.287 -0.290 0.000 0.952 258 K CB -0.080 32.280 32.500 -0.234 0.000 0.729 258 K HN 0.614 nan 8.250 nan 0.000 0.446 259 Y N -1.235 119.088 120.300 0.038 0.000 2.615 259 Y HA 0.415 4.965 4.550 -0.000 0.000 0.341 259 Y C -0.630 175.296 175.900 0.044 0.000 1.089 259 Y CA -1.316 56.822 58.100 0.064 0.000 1.049 259 Y CB 1.833 40.328 38.460 0.059 0.000 1.296 259 Y HN -0.421 nan 8.280 nan 0.000 0.470 260 V N 2.978 123.032 119.914 0.233 0.000 2.656 260 V HA 0.474 4.594 4.120 -0.000 0.000 0.307 260 V C -0.680 175.462 176.094 0.080 0.000 1.051 260 V CA -0.865 61.499 62.300 0.106 0.000 0.893 260 V CB 2.121 33.974 31.823 0.049 0.000 0.999 260 V HN 0.544 nan 8.190 nan 0.000 0.426 261 I N 2.826 123.414 120.570 0.030 0.000 2.339 261 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 261 I C 0.304 176.410 176.117 -0.019 0.000 0.994 261 I CA -0.142 61.155 61.300 -0.005 0.000 1.191 261 I CB 1.866 39.870 38.000 0.008 0.000 1.343 261 I HN 0.594 nan 8.210 nan 0.000 0.458 262 S N 5.403 121.061 115.700 -0.071 0.000 2.400 262 S HA 0.497 4.967 4.470 -0.000 0.000 0.295 262 S C 0.485 175.169 174.600 0.140 0.000 1.113 262 S CA -0.470 57.762 58.200 0.054 0.000 1.064 262 S CB 0.473 63.746 63.200 0.122 0.000 0.990 262 S HN 0.715 nan 8.310 nan 0.000 0.502 263 A N 5.877 128.766 122.820 0.115 0.000 2.827 263 A HA 0.453 4.773 4.320 -0.000 0.000 0.300 263 A C 0.346 178.009 177.584 0.131 0.000 1.237 263 A CA -0.670 51.440 52.037 0.122 0.000 0.964 263 A CB -0.538 18.510 19.000 0.080 0.000 1.143 263 A HN 0.900 nan 8.150 nan 0.000 0.554 264 I N -3.969 116.696 120.570 0.159 0.000 2.750 264 I HA 0.668 4.838 4.170 -0.000 0.000 0.308 264 I C -2.884 173.329 176.117 0.159 0.000 1.016 264 I CA -3.077 58.314 61.300 0.151 0.000 1.098 264 I CB 1.388 39.478 38.000 0.151 0.000 1.279 264 I HN -0.161 nan 8.210 nan 0.000 0.454 265 P HA 0.090 nan 4.420 nan 0.000 0.263 265 P C -2.154 175.200 177.300 0.089 0.000 1.175 265 P CA -0.530 62.638 63.100 0.113 0.000 0.761 265 P CB -0.057 31.697 31.700 0.090 0.000 0.794 266 P HA -0.229 nan 4.420 nan 0.000 0.216 266 P C 1.603 178.886 177.300 -0.028 0.000 1.157 266 P CA 1.876 64.980 63.100 0.006 0.000 0.880 266 P CB -0.255 31.418 31.700 -0.045 0.000 0.791 267 T N -1.423 113.090 114.554 -0.068 0.000 2.915 267 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 267 T C 1.511 176.202 174.700 -0.016 0.000 1.071 267 T CA 0.682 62.731 62.100 -0.084 0.000 1.132 267 T CB -0.810 67.973 68.868 -0.140 0.000 0.878 267 T HN -0.035 nan 8.240 nan 0.000 0.479 268 L N 0.387 121.630 121.223 0.034 0.000 2.551 268 L HA 0.128 4.468 4.340 -0.000 0.000 0.228 268 L C 2.766 179.709 176.870 0.123 0.000 1.153 268 L CA 0.667 55.555 54.840 0.080 0.000 0.851 268 L CB -0.654 41.477 42.059 0.120 0.000 0.959 268 L HN 0.346 nan 8.230 nan 0.000 0.451 269 G N -0.197 108.686 108.800 0.138 0.000 2.479 269 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 269 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 269 G C 1.595 176.636 174.900 0.234 0.000 1.115 269 G CA 0.227 45.468 45.100 0.236 0.000 0.757 269 G HN 0.154 nan 8.290 nan 0.000 0.560 270 M N 0.360 120.025 119.600 0.109 0.000 2.358 270 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 270 M C 2.073 178.393 176.300 0.033 0.000 1.064 270 M CA 0.990 56.324 55.300 0.056 0.000 1.093 270 M CB -0.488 32.107 32.600 -0.008 0.000 1.401 270 M HN 0.225 nan 8.290 nan 0.000 0.440 271 K N 0.075 120.517 120.400 0.069 0.000 2.525 271 K HA 0.156 4.476 4.320 -0.000 0.000 0.192 271 K C 0.373 177.028 176.600 0.092 0.000 1.029 271 K CA 0.426 56.763 56.287 0.082 0.000 1.029 271 K CB 0.191 32.771 32.500 0.133 0.000 0.814 271 K HN 0.327 nan 8.250 nan 0.000 0.503 272 I N 1.263 121.851 120.570 0.031 0.000 2.404 272 I HA 0.130 4.300 4.170 -0.000 0.000 0.293 272 I C 0.104 176.084 176.117 -0.228 0.000 0.992 272 I CA -0.735 60.492 61.300 -0.122 0.000 1.149 272 I CB 1.334 39.106 38.000 -0.381 0.000 1.315 272 I HN 0.037 nan 8.210 nan 0.000 0.446 273 H N 6.098 125.069 119.070 -0.164 0.000 2.580 273 H HA 0.332 4.888 4.556 -0.000 0.000 0.322 273 H C -1.081 174.146 175.328 -0.167 0.000 1.082 273 H CA -0.172 55.875 56.048 -0.001 0.000 1.383 273 H CB 1.132 30.990 29.762 0.159 0.000 1.450 273 H HN 0.326 nan 8.280 nan 0.000 0.505 274 F N 1.946 121.991 119.950 0.159 0.000 2.443 274 F HA 0.166 4.693 4.527 -0.000 0.000 0.335 274 F C 0.602 176.434 175.800 0.053 0.000 1.104 274 F CA -0.704 57.319 58.000 0.037 0.000 1.013 274 F CB 1.320 40.333 39.000 0.022 0.000 1.136 274 F HN 0.473 nan 8.300 nan 0.000 0.470 275 N N 4.399 123.168 118.700 0.114 0.000 2.461 275 N HA 0.414 5.154 4.740 -0.000 0.000 0.284 275 N C -3.009 172.542 175.510 0.067 0.000 1.049 275 N CA -2.333 50.784 53.050 0.110 0.000 0.889 275 N CB 2.117 40.689 38.487 0.143 0.000 1.365 275 N HN 0.071 nan 8.380 nan 0.000 0.499 276 P HA 0.302 nan 4.420 nan 0.000 0.274 276 P C -2.638 174.734 177.300 0.119 0.000 1.260 276 P CA -0.953 62.202 63.100 0.091 0.000 0.793 276 P CB -0.357 31.378 31.700 0.057 0.000 1.048 277 P HA 0.091 nan 4.420 nan 0.000 0.268 277 P C 0.119 177.430 177.300 0.019 0.000 1.208 277 P CA 0.202 63.360 63.100 0.096 0.000 0.777 277 P CB 0.187 31.926 31.700 0.066 0.000 0.875 278 L N 3.107 124.291 121.223 -0.064 0.000 2.483 278 L HA 0.126 4.466 4.340 -0.000 0.000 0.275 278 L C -1.652 175.162 176.870 -0.092 0.000 1.220 278 L CA -1.518 53.217 54.840 -0.175 0.000 0.833 278 L CB -0.691 41.174 42.059 -0.323 0.000 1.102 278 L HN 0.302 nan 8.230 nan 0.000 0.490 279 P HA -0.049 nan 4.420 nan 0.000 0.268 279 P C 0.667 177.935 177.300 -0.054 0.000 1.208 279 P CA -0.184 62.882 63.100 -0.057 0.000 0.777 279 P CB 0.467 32.133 31.700 -0.057 0.000 0.875 280 M N 1.903 121.484 119.600 -0.032 0.000 2.113 280 M HA -0.251 4.229 4.480 -0.000 0.000 0.255 280 M C 1.237 177.542 176.300 0.009 0.000 1.073 280 M CA 2.336 57.628 55.300 -0.014 0.000 1.091 280 M CB -0.354 32.241 32.600 -0.009 0.000 1.309 280 M HN 0.191 nan 8.290 nan 0.000 0.407 281 M N -0.452 119.150 119.600 0.004 0.000 2.117 281 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 281 M C 2.297 178.638 176.300 0.068 0.000 1.065 281 M CA 1.789 57.129 55.300 0.068 0.000 1.114 281 M CB -1.482 31.104 32.600 -0.024 0.000 1.361 281 M HN 0.432 nan 8.290 nan 0.000 0.408 282 R N 0.292 120.762 120.500 -0.050 0.000 2.092 282 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 282 R C 2.011 178.225 176.300 -0.142 0.000 1.119 282 R CA 1.630 57.652 56.100 -0.129 0.000 0.970 282 R CB -0.202 29.973 30.300 -0.208 0.000 0.864 282 R HN 0.331 nan 8.270 nan 0.000 0.440 283 N N 0.520 119.153 118.700 -0.112 0.000 2.061 283 N HA -0.227 4.513 4.740 -0.000 0.000 0.193 283 N C 1.565 177.009 175.510 -0.109 0.000 1.030 283 N CA 1.926 54.916 53.050 -0.101 0.000 0.856 283 N CB 0.020 38.471 38.487 -0.061 0.000 1.023 283 N HN 0.347 nan 8.380 nan 0.000 0.424 284 Q N -1.115 118.626 119.800 -0.098 0.000 2.212 284 Q HA -0.037 4.303 4.340 -0.000 0.000 0.199 284 Q C 1.969 177.719 176.000 -0.417 0.000 0.950 284 Q CA 0.563 56.254 55.803 -0.188 0.000 0.863 284 Q CB -0.105 28.586 28.738 -0.078 0.000 0.944 284 Q HN 0.487 nan 8.270 nan 0.000 0.465 285 M N 1.701 121.054 119.600 -0.411 0.000 2.106 285 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 285 M C 2.002 178.070 176.300 -0.386 0.000 1.068 285 M CA 1.685 56.685 55.300 -0.501 0.000 1.100 285 M CB -0.475 32.002 32.600 -0.205 0.000 1.351 285 M HN 0.307 nan 8.290 nan 0.000 0.404 286 I N -1.534 118.873 120.570 -0.271 0.000 3.334 286 I HA -0.069 4.101 4.170 -0.000 0.000 0.282 286 I C 1.433 177.421 176.117 -0.215 0.000 1.313 286 I CA 1.366 62.535 61.300 -0.218 0.000 1.396 286 I CB -1.016 36.901 38.000 -0.139 0.000 1.054 286 I HN 0.323 nan 8.210 nan 0.000 0.495 287 T N -2.483 111.921 114.554 -0.250 0.000 3.069 287 T HA 0.288 4.638 4.350 -0.000 0.000 0.252 287 T C 1.451 175.982 174.700 -0.281 0.000 1.053 287 T CA -0.238 61.727 62.100 -0.225 0.000 0.964 287 T CB -0.024 68.734 68.868 -0.183 0.000 1.005 287 T HN 0.418 nan 8.240 nan 0.000 0.532 288 R N 0.970 121.244 120.500 -0.377 0.000 2.508 288 R HA 0.330 4.670 4.340 -0.000 0.000 0.300 288 R C -0.165 175.817 176.300 -0.530 0.000 0.970 288 R CA -0.017 55.831 56.100 -0.421 0.000 1.102 288 R CB 1.369 31.367 30.300 -0.503 0.000 1.246 288 R HN 0.428 nan 8.270 nan 0.000 0.539 289 V N -0.754 118.828 119.914 -0.554 0.000 2.383 289 V HA 0.469 4.589 4.120 -0.000 0.000 0.261 289 V C -2.696 173.035 176.094 -0.605 0.000 0.987 289 V CA -2.348 59.507 62.300 -0.740 0.000 0.853 289 V CB 0.752 32.094 31.823 -0.801 0.000 1.095 289 V HN -0.106 nan 8.190 nan 0.000 0.461 290 P HA 0.512 nan 4.420 nan 0.000 0.276 290 P C -0.664 176.315 177.300 -0.535 0.000 1.252 290 P CA -0.349 62.415 63.100 -0.560 0.000 0.802 290 P CB 1.840 33.190 31.700 -0.582 0.000 1.035 291 L N 0.344 121.430 121.223 -0.228 0.000 2.352 291 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 291 L C 1.484 178.406 176.870 0.087 0.000 1.034 291 L CA -0.159 54.646 54.840 -0.058 0.000 0.806 291 L CB 0.483 42.539 42.059 -0.005 0.000 1.244 291 L HN 0.479 nan 8.230 nan 0.000 0.447 292 G N 0.005 108.885 108.800 0.133 0.000 2.631 292 G HA2 0.405 4.365 3.960 -0.000 0.000 0.271 292 G HA3 0.405 4.365 3.960 -0.000 0.000 0.271 292 G C -0.756 174.143 174.900 -0.003 0.000 1.302 292 G CA -0.363 44.778 45.100 0.068 0.000 1.002 292 G HN 0.504 nan 8.290 nan 0.000 0.519 293 S N -1.424 114.243 115.700 -0.055 0.000 2.561 293 S HA 0.595 5.065 4.470 -0.000 0.000 0.303 293 S C -1.026 173.547 174.600 -0.046 0.000 1.110 293 S CA -0.512 57.680 58.200 -0.014 0.000 1.034 293 S CB 1.712 64.916 63.200 0.007 0.000 1.010 293 S HN 0.840 nan 8.310 nan 0.000 0.482 294 V N 4.754 124.689 119.914 0.035 0.000 3.000 294 V HA 0.557 4.677 4.120 -0.000 0.000 0.300 294 V C -1.964 174.274 176.094 0.239 0.000 1.251 294 V CA -0.731 61.620 62.300 0.084 0.000 0.972 294 V CB 1.754 33.553 31.823 -0.040 0.000 1.065 294 V HN 0.884 nan 8.190 nan 0.000 0.431 295 I N 5.321 126.044 120.570 0.255 0.000 2.362 295 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 295 I C -0.219 176.128 176.117 0.383 0.000 0.994 295 I CA -0.613 60.859 61.300 0.287 0.000 1.158 295 I CB 1.706 39.819 38.000 0.188 0.000 1.315 295 I HN 0.521 nan 8.210 nan 0.000 0.451 296 K N 5.990 126.652 120.400 0.436 0.000 2.234 296 K HA 0.579 4.899 4.320 -0.000 0.000 0.277 296 K C -1.442 175.281 176.600 0.205 0.000 1.038 296 K CA -0.319 56.209 56.287 0.402 0.000 0.888 296 K CB 0.948 33.753 32.500 0.508 0.000 1.091 296 K HN 0.699 nan 8.250 nan 0.000 0.467 297 C N 5.373 124.753 119.300 0.134 0.000 2.441 297 C HA 0.573 5.033 4.460 -0.000 0.000 0.318 297 C C -0.837 174.199 174.990 0.077 0.000 1.222 297 C CA -1.096 57.988 59.018 0.110 0.000 1.474 297 C CB 0.015 27.923 27.740 0.280 0.000 2.125 297 C HN 0.729 nan 8.230 nan 0.000 0.479 298 I N 3.058 123.632 120.570 0.008 0.000 2.439 298 I HA 0.425 4.595 4.170 -0.000 0.000 0.285 298 I C -0.261 175.874 176.117 0.031 0.000 1.021 298 I CA -0.153 61.118 61.300 -0.049 0.000 1.091 298 I CB 1.428 39.354 38.000 -0.124 0.000 1.242 298 I HN 0.355 nan 8.210 nan 0.000 0.439 299 V N 6.710 126.635 119.914 0.019 0.000 2.394 299 V HA 0.385 4.505 4.120 -0.000 0.000 0.282 299 V C -0.638 175.284 176.094 -0.287 0.000 1.031 299 V CA -0.685 61.636 62.300 0.036 0.000 0.881 299 V CB 0.803 32.693 31.823 0.112 0.000 0.982 299 V HN 0.410 nan 8.190 nan 0.000 0.451 300 Y N 4.110 124.351 120.300 -0.099 0.000 2.361 300 Y HA 0.675 5.225 4.550 0.000 0.000 0.332 300 Y C -0.259 175.505 175.900 -0.226 0.000 1.101 300 Y CA -0.434 57.655 58.100 -0.018 0.000 1.137 300 Y CB 1.407 39.960 38.460 0.155 0.000 1.207 300 Y HN 0.533 nan 8.280 nan 0.000 0.463 301 Y N -0.091 120.457 120.300 0.414 0.000 2.605 301 Y HA 0.288 4.838 4.550 -0.000 0.000 0.343 301 Y C 1.110 177.156 175.900 0.244 0.000 1.036 301 Y CA -1.386 56.928 58.100 0.356 0.000 1.065 301 Y CB 1.920 40.685 38.460 0.509 0.000 1.288 301 Y HN 0.497 nan 8.280 nan 0.000 0.481 302 K N 0.392 121.008 120.400 0.360 0.000 2.097 302 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 302 K C -0.567 176.106 176.600 0.121 0.000 1.049 302 K CA 1.639 58.033 56.287 0.178 0.000 0.933 302 K CB 0.212 32.787 32.500 0.124 0.000 0.717 302 K HN 0.730 nan 8.250 nan 0.000 0.442 303 E N -0.638 119.649 120.200 0.146 0.000 2.408 303 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 303 E C -2.679 173.797 176.600 -0.208 0.000 0.935 303 E CA -2.292 54.102 56.400 -0.011 0.000 0.775 303 E CB 2.236 31.920 29.700 -0.026 0.000 1.277 303 E HN -0.040 nan 8.360 nan 0.000 0.455 304 P HA 0.032 nan 4.420 nan 0.000 0.237 304 P C 0.223 176.611 177.300 -1.521 0.000 1.788 304 P CA -0.019 62.178 63.100 -1.505 0.000 1.061 304 P CB -0.888 30.225 31.700 -0.978 0.000 1.967 305 F N 0.087 119.474 119.950 -0.938 0.000 2.269 305 F HA -0.098 4.429 4.527 -0.000 0.000 0.301 305 F C 1.747 177.382 175.800 -0.275 0.000 1.082 305 F CA -0.082 57.662 58.000 -0.427 0.000 1.360 305 F CB -1.687 37.192 39.000 -0.201 0.000 1.041 305 F HN 0.129 nan 8.300 nan 0.000 0.512 306 W N 1.387 122.370 121.300 -0.528 0.000 2.374 306 W HA 0.020 4.680 4.660 0.000 0.000 0.288 306 W C 2.005 178.471 176.519 -0.088 0.000 1.218 306 W CA 0.879 58.098 57.345 -0.210 0.000 1.245 306 W CB -1.131 28.144 29.460 -0.309 0.000 1.126 306 W HN -0.133 nan 8.180 nan 0.000 0.545 307 R N 1.231 121.523 120.500 -0.346 0.000 2.120 307 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 307 R C 2.017 178.236 176.300 -0.136 0.000 1.123 307 R CA 1.725 57.716 56.100 -0.181 0.000 0.975 307 R CB -0.446 29.691 30.300 -0.273 0.000 0.866 307 R HN 0.302 nan 8.270 nan 0.000 0.446 308 K N 0.691 121.006 120.400 -0.140 0.000 2.211 308 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 308 K C 1.408 177.937 176.600 -0.118 0.000 1.050 308 K CA 1.018 57.245 56.287 -0.100 0.000 0.945 308 K CB 0.071 32.534 32.500 -0.061 0.000 0.732 308 K HN 0.117 nan 8.250 nan 0.000 0.451 309 K N 0.796 121.095 120.400 -0.169 0.000 2.417 309 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 309 K C -0.480 175.784 176.600 -0.559 0.000 1.023 309 K CA 0.111 56.180 56.287 -0.363 0.000 1.122 309 K CB 0.308 32.538 32.500 -0.450 0.000 0.850 309 K HN 0.018 nan 8.250 nan 0.000 0.521 310 D N 0.173 120.397 120.400 -0.294 0.000 2.800 310 D HA -0.213 4.427 4.640 -0.000 0.000 0.232 310 D C -1.386 174.859 176.300 -0.093 0.000 1.137 310 D CA 0.890 54.785 54.000 -0.175 0.000 0.718 310 D CB -1.405 39.314 40.800 -0.134 0.000 1.084 310 D HN 0.340 nan 8.370 nan 0.000 0.432 311 Y N -0.886 119.449 120.300 0.058 0.000 2.377 311 Y HA 0.320 4.870 4.550 -0.000 0.000 0.339 311 Y C 2.026 178.000 175.900 0.123 0.000 1.011 311 Y CA -0.962 57.174 58.100 0.059 0.000 1.093 311 Y CB 1.288 39.793 38.460 0.075 0.000 1.201 311 Y HN 0.251 nan 8.280 nan 0.000 0.455 312 C N -1.011 118.408 119.300 0.199 0.000 2.495 312 C HA 0.447 4.907 4.460 -0.000 0.000 0.275 312 C C 1.720 176.772 174.990 0.103 0.000 1.392 312 C CA 0.624 59.733 59.018 0.152 0.000 1.766 312 C CB -0.876 26.880 27.740 0.025 0.000 1.933 312 C HN 1.222 nan 8.230 nan 0.000 0.519 313 G N -0.298 108.402 108.800 -0.166 0.000 2.255 313 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.196 313 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.196 313 G C 0.040 174.614 174.900 -0.543 0.000 0.998 313 G CA 0.164 44.859 45.100 -0.675 0.000 0.656 313 G HN 0.555 nan 8.290 nan 0.000 0.490 314 T N 2.443 116.777 114.554 -0.366 0.000 2.779 314 T HA 0.610 4.960 4.350 -0.000 0.000 0.296 314 T C 0.306 174.809 174.700 -0.328 0.000 0.938 314 T CA 0.618 62.486 62.100 -0.388 0.000 1.119 314 T CB 0.789 69.485 68.868 -0.285 0.000 0.891 314 T HN 0.285 nan 8.240 nan 0.000 0.526 315 M N 4.120 123.509 119.600 -0.352 0.000 2.259 315 M HA 0.485 4.965 4.480 -0.000 0.000 0.304 315 M C -0.904 175.400 176.300 0.007 0.000 1.019 315 M CA -0.574 54.634 55.300 -0.153 0.000 0.922 315 M CB 2.105 34.589 32.600 -0.193 0.000 1.600 315 M HN 0.415 nan 8.290 nan 0.000 0.433 316 I N 4.840 125.561 120.570 0.252 0.000 2.354 316 I HA 0.439 4.609 4.170 -0.000 0.000 0.286 316 I C -0.837 175.555 176.117 0.458 0.000 1.007 316 I CA -0.264 61.295 61.300 0.432 0.000 1.167 316 I CB 0.931 39.217 38.000 0.476 0.000 1.320 316 I HN 0.603 nan 8.210 nan 0.000 0.458 317 I N 5.216 126.007 120.570 0.369 0.000 2.390 317 I HA 0.296 4.466 4.170 -0.000 0.000 0.283 317 I C -0.333 175.960 176.117 0.294 0.000 1.016 317 I CA -0.527 60.963 61.300 0.318 0.000 1.151 317 I CB 1.229 39.355 38.000 0.210 0.000 1.293 317 I HN 0.451 nan 8.210 nan 0.000 0.458 318 D N 4.560 125.134 120.400 0.290 0.000 2.312 318 D HA 0.663 5.303 4.640 -0.000 0.000 0.248 318 D C 0.171 176.581 176.300 0.183 0.000 1.086 318 D CA 0.522 54.659 54.000 0.229 0.000 0.948 318 D CB 1.840 42.768 40.800 0.214 0.000 1.162 318 D HN 0.804 nan 8.370 nan 0.000 0.446 319 G N 1.840 110.729 108.800 0.147 0.000 2.742 319 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 319 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 319 G C 0.443 175.415 174.900 0.120 0.000 1.220 319 G CA 0.151 45.325 45.100 0.122 0.000 0.783 319 G HN 0.447 nan 8.290 nan 0.000 0.646 320 E N 0.496 120.761 120.200 0.110 0.000 2.153 320 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 320 E C 2.156 178.818 176.600 0.103 0.000 0.988 320 E CA 2.550 59.025 56.400 0.125 0.000 0.811 320 E CB 0.007 29.775 29.700 0.114 0.000 0.746 320 E HN 0.687 nan 8.360 nan 0.000 0.466 321 E N 0.475 120.727 120.200 0.086 0.000 2.150 321 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 321 E C 0.487 177.120 176.600 0.055 0.000 0.985 321 E CA 0.939 57.379 56.400 0.066 0.000 0.814 321 E CB -0.405 29.332 29.700 0.062 0.000 0.752 321 E HN 0.292 nan 8.360 nan 0.000 0.466 322 A N 2.609 125.471 122.820 0.071 0.000 2.451 322 A HA 0.163 4.482 4.320 -0.000 0.000 0.266 322 A C -1.385 176.226 177.584 0.046 0.000 1.119 322 A CA -1.124 50.948 52.037 0.058 0.000 0.786 322 A CB 0.148 19.204 19.000 0.093 0.000 1.061 322 A HN 0.003 nan 8.150 nan 0.000 0.503 323 P HA -0.044 nan 4.420 nan 0.000 0.219 323 P C 0.240 177.573 177.300 0.055 0.000 1.150 323 P CA 0.976 64.084 63.100 0.014 0.000 0.814 323 P CB 0.077 31.768 31.700 -0.015 0.000 0.787 324 V N 0.180 120.147 119.914 0.088 0.000 2.417 324 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 324 V C 1.183 177.396 176.094 0.198 0.000 1.024 324 V CA -0.107 62.294 62.300 0.168 0.000 0.861 324 V CB 1.303 33.255 31.823 0.216 0.000 0.985 324 V HN -0.019 nan 8.190 nan 0.000 0.436 325 A N 4.389 127.355 122.820 0.244 0.000 2.169 325 A HA 0.314 4.634 4.320 -0.000 0.000 0.210 325 A C 0.173 177.985 177.584 0.380 0.000 1.168 325 A CA 0.581 52.783 52.037 0.275 0.000 0.813 325 A CB 0.185 19.332 19.000 0.246 0.000 0.861 325 A HN 0.754 nan 8.150 nan 0.000 0.481 326 Y N -0.084 120.343 120.300 0.212 0.000 2.442 326 Y HA 0.470 5.020 4.550 0.000 0.000 0.330 326 Y C -0.431 175.524 175.900 0.092 0.000 1.100 326 Y CA -0.461 57.749 58.100 0.183 0.000 1.034 326 Y CB 1.551 40.170 38.460 0.266 0.000 1.285 326 Y HN 0.122 nan 8.280 nan 0.000 0.440 327 T N 4.009 118.251 114.554 -0.519 0.000 2.906 327 T HA 0.874 5.224 4.350 -0.000 0.000 0.295 327 T C -1.490 172.771 174.700 -0.731 0.000 1.075 327 T CA -0.812 60.966 62.100 -0.537 0.000 1.005 327 T CB 1.843 70.392 68.868 -0.532 0.000 1.136 327 T HN 0.606 nan 8.240 nan 0.000 0.498 328 L N 1.009 121.928 121.223 -0.507 0.000 2.393 328 L HA 0.507 4.847 4.340 -0.000 0.000 0.260 328 L C -0.649 176.030 176.870 -0.318 0.000 1.002 328 L CA -1.273 53.332 54.840 -0.392 0.000 0.818 328 L CB 2.210 44.112 42.059 -0.262 0.000 1.369 328 L HN 0.728 nan 8.230 nan 0.000 0.412 329 D N 0.862 121.114 120.400 -0.248 0.000 2.450 329 D HA -0.033 4.607 4.640 -0.000 0.000 0.247 329 D C -0.232 176.083 176.300 0.026 0.000 1.162 329 D CA 0.580 54.511 54.000 -0.114 0.000 0.879 329 D CB 1.157 42.008 40.800 0.085 0.000 1.163 329 D HN 0.496 nan 8.370 nan 0.000 0.472 330 D N 1.853 122.275 120.400 0.037 0.000 2.462 330 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 330 D C -0.327 176.059 176.300 0.143 0.000 1.173 330 D CA -0.139 53.911 54.000 0.084 0.000 0.831 330 D CB 0.376 41.164 40.800 -0.020 0.000 1.001 330 D HN 0.234 nan 8.370 nan 0.000 0.499 331 T N 1.464 116.141 114.554 0.204 0.000 2.940 331 T HA 0.021 4.371 4.350 -0.000 0.000 0.309 331 T C 0.556 175.337 174.700 0.135 0.000 1.056 331 T CA -0.050 62.169 62.100 0.197 0.000 1.137 331 T CB 0.836 69.826 68.868 0.203 0.000 0.976 331 T HN -0.045 nan 8.240 nan 0.000 0.547 332 K N 3.814 124.255 120.400 0.068 0.000 2.276 332 K HA 0.073 4.393 4.320 -0.000 0.000 0.259 332 K C -1.389 175.103 176.600 -0.180 0.000 1.001 332 K CA -1.657 54.570 56.287 -0.099 0.000 0.927 332 K CB 0.242 32.721 32.500 -0.034 0.000 0.969 332 K HN 0.349 nan 8.250 nan 0.000 0.490 333 P HA -0.135 nan 4.420 nan 0.000 0.219 333 P C 0.332 177.564 177.300 -0.113 0.000 1.146 333 P CA 1.382 64.281 63.100 -0.335 0.000 0.808 333 P CB 0.303 31.707 31.700 -0.493 0.000 0.779 334 E N -1.033 119.120 120.200 -0.078 0.000 2.418 334 E HA 0.133 4.483 4.350 -0.000 0.000 0.197 334 E C 1.576 178.170 176.600 -0.009 0.000 1.026 334 E CA 0.978 57.366 56.400 -0.019 0.000 0.862 334 E CB -0.803 28.906 29.700 0.014 0.000 0.799 334 E HN 0.316 nan 8.360 nan 0.000 0.518 335 G N 0.625 109.421 108.800 -0.007 0.000 2.176 335 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.232 335 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.232 335 G C 0.141 175.039 174.900 -0.004 0.000 0.986 335 G CA 0.244 45.339 45.100 -0.010 0.000 0.643 335 G HN 0.372 nan 8.290 nan 0.000 0.522 336 N N -0.645 118.071 118.700 0.028 0.000 2.530 336 N HA 0.523 5.263 4.740 -0.000 0.000 0.283 336 N C 0.544 176.141 175.510 0.145 0.000 1.238 336 N CA -0.812 52.232 53.050 -0.010 0.000 0.971 336 N CB -0.048 38.359 38.487 -0.134 0.000 1.195 336 N HN 0.614 nan 8.380 nan 0.000 0.583 337 Y N -2.774 117.558 120.300 0.054 0.000 3.108 337 Y HA -0.178 4.372 4.550 -0.000 0.000 0.208 337 Y C 0.615 176.651 175.900 0.226 0.000 1.245 337 Y CA 0.306 58.490 58.100 0.140 0.000 1.171 337 Y CB -2.374 36.132 38.460 0.076 0.000 1.331 337 Y HN 0.749 nan 8.280 nan 0.000 0.534 338 A N 0.294 123.277 122.820 0.271 0.000 2.584 338 A HA 0.529 4.849 4.320 -0.000 0.000 0.239 338 A C 0.754 178.582 177.584 0.407 0.000 1.043 338 A CA 0.662 52.874 52.037 0.291 0.000 0.756 338 A CB 0.058 19.162 19.000 0.172 0.000 0.963 338 A HN 1.511 nan 8.150 nan 0.000 0.511 339 A N 2.472 125.529 122.820 0.396 0.000 2.605 339 A HA 0.633 4.953 4.320 -0.000 0.000 0.294 339 A C -1.030 176.551 177.584 -0.006 0.000 1.062 339 A CA -0.532 51.551 52.037 0.078 0.000 0.682 339 A CB 0.979 19.704 19.000 -0.460 0.000 1.278 339 A HN 0.722 nan 8.150 nan 0.000 0.410 340 I N 2.461 122.925 120.570 -0.177 0.000 2.389 340 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 340 I C -0.237 175.722 176.117 -0.263 0.000 0.999 340 I CA -0.395 60.672 61.300 -0.389 0.000 1.129 340 I CB 1.658 39.276 38.000 -0.636 0.000 1.288 340 I HN 0.755 nan 8.210 nan 0.000 0.444 341 M N 5.740 125.183 119.600 -0.262 0.000 2.188 341 M HA 0.607 5.087 4.480 -0.000 0.000 0.357 341 M C -0.319 175.826 176.300 -0.258 0.000 1.204 341 M CA -0.137 55.038 55.300 -0.209 0.000 1.095 341 M CB 1.094 33.594 32.600 -0.166 0.000 1.604 341 M HN 0.704 nan 8.290 nan 0.000 0.464 342 G N 4.436 113.138 108.800 -0.163 0.000 2.612 342 G HA2 0.692 4.652 3.960 -0.000 0.000 0.298 342 G HA3 0.692 4.652 3.960 -0.000 0.000 0.298 342 G C -1.966 172.877 174.900 -0.095 0.000 1.336 342 G CA -0.553 44.490 45.100 -0.095 0.000 0.953 342 G HN 0.656 nan 8.290 nan 0.000 0.482 343 F N 0.611 120.703 119.950 0.237 0.000 2.436 343 F HA 0.488 5.015 4.527 0.000 0.000 0.340 343 F C 0.522 176.429 175.800 0.178 0.000 1.113 343 F CA -0.751 57.388 58.000 0.232 0.000 1.022 343 F CB 2.165 41.331 39.000 0.277 0.000 1.128 343 F HN 0.051 nan 8.300 nan 0.000 0.466 344 I N 5.354 126.130 120.570 0.345 0.000 2.304 344 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 344 I C -0.655 175.545 176.117 0.138 0.000 1.018 344 I CA -0.312 61.103 61.300 0.193 0.000 1.260 344 I CB 0.787 38.870 38.000 0.137 0.000 1.390 344 I HN 0.390 nan 8.210 nan 0.000 0.475 345 L N 6.425 127.688 121.223 0.068 0.000 2.325 345 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 345 L C 0.970 177.796 176.870 -0.073 0.000 1.023 345 L CA -0.221 54.617 54.840 -0.004 0.000 0.811 345 L CB 1.537 43.604 42.059 0.014 0.000 1.249 345 L HN 0.905 nan 8.230 nan 0.000 0.431 346 A N 2.125 124.896 122.820 -0.082 0.000 5.308 346 A HA -0.369 3.951 4.320 -0.000 0.000 0.321 346 A C 1.720 179.287 177.584 -0.028 0.000 1.849 346 A CA 1.586 53.583 52.037 -0.067 0.000 0.713 346 A CB -1.623 17.337 19.000 -0.068 0.000 1.360 346 A HN 1.093 nan 8.150 nan 0.000 0.384 347 H N 1.002 120.058 119.070 -0.025 0.000 2.457 347 H HA -0.058 4.498 4.556 -0.000 0.000 0.297 347 H C 1.680 177.021 175.328 0.022 0.000 1.092 347 H CA 1.889 57.941 56.048 0.006 0.000 1.309 347 H CB -0.369 29.405 29.762 0.020 0.000 1.382 347 H HN 0.738 nan 8.280 nan 0.000 0.535 348 K N 0.691 120.751 120.400 -0.568 0.000 2.148 348 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 348 K C 2.594 179.131 176.600 -0.105 0.000 1.050 348 K CA 0.881 56.959 56.287 -0.350 0.000 0.942 348 K CB 0.036 32.345 32.500 -0.318 0.000 0.724 348 K HN 0.332 nan 8.250 nan 0.000 0.446 349 A N 1.492 124.278 122.820 -0.058 0.000 1.902 349 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 349 A C 2.078 179.674 177.584 0.020 0.000 1.181 349 A CA 1.363 53.407 52.037 0.011 0.000 0.623 349 A CB -0.291 18.729 19.000 0.032 0.000 0.818 349 A HN 0.115 nan 8.150 nan 0.000 0.443 350 R N -0.227 120.285 120.500 0.020 0.000 2.066 350 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 350 R C 2.330 178.652 176.300 0.036 0.000 1.131 350 R CA 1.788 57.910 56.100 0.036 0.000 0.955 350 R CB -0.305 30.028 30.300 0.056 0.000 0.851 350 R HN 0.617 nan 8.270 nan 0.000 0.432 351 K N 0.481 120.902 120.400 0.034 0.000 2.025 351 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 351 K C 1.512 178.127 176.600 0.025 0.000 1.049 351 K CA 1.317 57.628 56.287 0.040 0.000 0.933 351 K CB 0.015 32.548 32.500 0.055 0.000 0.714 351 K HN 0.163 nan 8.250 nan 0.000 0.438 352 L N 0.257 121.489 121.223 0.015 0.000 2.558 352 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 352 L C 2.177 179.063 176.870 0.027 0.000 1.128 352 L CA 0.155 55.006 54.840 0.018 0.000 0.868 352 L CB -0.002 42.065 42.059 0.015 0.000 1.006 352 L HN 0.184 nan 8.230 nan 0.000 0.454 353 A N 0.605 123.443 122.820 0.029 0.000 2.019 353 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 353 A C 2.347 179.945 177.584 0.023 0.000 1.164 353 A CA 1.074 53.128 52.037 0.029 0.000 0.644 353 A CB -0.337 18.679 19.000 0.027 0.000 0.805 353 A HN 0.358 nan 8.150 nan 0.000 0.449 354 R N -0.561 119.952 120.500 0.021 0.000 2.152 354 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 354 R C 0.274 176.584 176.300 0.015 0.000 1.117 354 R CA 0.392 56.502 56.100 0.016 0.000 0.981 354 R CB -0.556 29.754 30.300 0.016 0.000 0.870 354 R HN 0.447 nan 8.270 nan 0.000 0.451 355 L N 0.624 121.857 121.223 0.017 0.000 2.475 355 L HA 0.100 4.440 4.340 -0.000 0.000 0.253 355 L C 1.089 177.970 176.870 0.019 0.000 1.198 355 L CA -0.469 54.380 54.840 0.014 0.000 0.814 355 L CB 0.376 42.442 42.059 0.011 0.000 1.134 355 L HN 0.123 nan 8.230 nan 0.000 0.478 356 T N -2.904 111.659 114.554 0.016 0.000 2.849 356 T HA 0.126 4.476 4.350 -0.000 0.000 0.284 356 T C 0.863 175.586 174.700 0.039 0.000 1.004 356 T CA -0.663 61.450 62.100 0.023 0.000 1.021 356 T CB 1.271 70.148 68.868 0.015 0.000 1.013 356 T HN 0.667 nan 8.240 nan 0.000 0.527 357 K N 0.302 120.740 120.400 0.062 0.000 2.063 357 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 357 K C 1.927 178.572 176.600 0.075 0.000 1.048 357 K CA 1.870 58.233 56.287 0.127 0.000 0.928 357 K CB -0.204 32.380 32.500 0.141 0.000 0.713 357 K HN 0.681 nan 8.250 nan 0.000 0.442 358 E N 0.796 121.010 120.200 0.023 0.000 2.077 358 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 358 E C 1.804 178.362 176.600 -0.070 0.000 0.989 358 E CA 1.476 57.856 56.400 -0.033 0.000 0.800 358 E CB 0.001 29.693 29.700 -0.013 0.000 0.746 358 E HN 0.410 nan 8.360 nan 0.000 0.452 359 E N 0.203 120.380 120.200 -0.040 0.000 2.110 359 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 359 E C 2.147 178.704 176.600 -0.071 0.000 0.988 359 E CA 0.754 57.127 56.400 -0.046 0.000 0.804 359 E CB -0.042 29.646 29.700 -0.021 0.000 0.745 359 E HN 0.135 nan 8.360 nan 0.000 0.458 360 R N 0.298 120.762 120.500 -0.060 0.000 2.075 360 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 360 R C 2.476 178.638 176.300 -0.229 0.000 1.126 360 R CA 0.797 56.852 56.100 -0.075 0.000 0.963 360 R CB -0.381 29.943 30.300 0.039 0.000 0.858 360 R HN 0.118 nan 8.270 nan 0.000 0.435 361 L N 1.881 122.852 121.223 -0.420 0.000 2.013 361 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 361 L C 2.222 178.878 176.870 -0.357 0.000 1.073 361 L CA 1.922 56.354 54.840 -0.679 0.000 0.753 361 L CB -0.491 41.107 42.059 -0.769 0.000 0.890 361 L HN 0.021 nan 8.230 nan 0.000 0.432 362 K N -0.549 119.716 120.400 -0.225 0.000 2.026 362 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 362 K C 2.177 178.689 176.600 -0.145 0.000 1.048 362 K CA 1.737 57.937 56.287 -0.145 0.000 0.929 362 K CB -0.106 32.338 32.500 -0.094 0.000 0.713 362 K HN 0.343 nan 8.250 nan 0.000 0.439 363 K N 0.184 120.495 120.400 -0.147 0.000 2.057 363 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 363 K C 2.104 178.569 176.600 -0.224 0.000 1.049 363 K CA 1.180 57.384 56.287 -0.140 0.000 0.931 363 K CB -0.105 32.335 32.500 -0.101 0.000 0.714 363 K HN 0.056 nan 8.250 nan 0.000 0.440 364 L N 0.768 121.804 121.223 -0.312 0.000 2.027 364 L HA -0.195 4.145 4.340 -0.000 0.000 0.206 364 L C 2.453 178.891 176.870 -0.720 0.000 1.074 364 L CA 1.515 56.001 54.840 -0.589 0.000 0.745 364 L CB -0.719 41.031 42.059 -0.514 0.000 0.898 364 L HN 0.229 nan 8.230 nan 0.000 0.433 365 C N -0.666 118.432 119.300 -0.336 0.000 2.429 365 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 365 C C 2.638 177.599 174.990 -0.047 0.000 1.262 365 C CA 0.561 59.531 59.018 -0.080 0.000 1.733 365 C CB -0.785 26.965 27.740 0.016 0.000 2.010 365 C HN 0.551 nan 8.230 nan 0.000 0.483 366 E N 0.358 120.502 120.200 -0.093 0.000 2.106 366 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 366 E C 2.004 178.569 176.600 -0.058 0.000 0.984 366 E CA 0.945 57.314 56.400 -0.052 0.000 0.806 366 E CB -0.286 29.383 29.700 -0.052 0.000 0.750 366 E HN 0.524 nan 8.360 nan 0.000 0.458 367 L N 0.427 121.568 121.223 -0.137 0.000 2.017 367 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 367 L C 2.043 178.916 176.870 0.004 0.000 1.073 367 L CA 1.737 56.508 54.840 -0.115 0.000 0.745 367 L CB -0.583 41.367 42.059 -0.182 0.000 0.894 367 L HN 0.191 nan 8.230 nan 0.000 0.432 368 Y N -0.797 119.490 120.300 -0.023 0.000 2.224 368 Y HA -0.219 4.331 4.550 -0.000 0.000 0.289 368 Y C 2.518 178.428 175.900 0.018 0.000 1.146 368 Y CA 0.257 58.347 58.100 -0.016 0.000 1.182 368 Y CB -0.498 37.990 38.460 0.047 0.000 0.983 368 Y HN 0.388 nan 8.280 nan 0.000 0.524 369 A N 0.526 123.456 122.820 0.182 0.000 1.902 369 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 369 A C 2.126 179.759 177.584 0.081 0.000 1.181 369 A CA 1.663 53.774 52.037 0.122 0.000 0.623 369 A CB -0.495 18.549 19.000 0.073 0.000 0.818 369 A HN 0.349 nan 8.150 nan 0.000 0.443 370 K N -0.568 119.856 120.400 0.040 0.000 2.002 370 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 370 K C 1.913 178.508 176.600 -0.010 0.000 1.048 370 K CA 1.653 57.949 56.287 0.015 0.000 0.930 370 K CB -0.297 32.189 32.500 -0.023 0.000 0.714 370 K HN 0.297 nan 8.250 nan 0.000 0.438 371 V N 1.429 121.281 119.914 -0.104 0.000 2.379 371 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 371 V C 2.019 178.067 176.094 -0.076 0.000 1.044 371 V CA 1.445 63.640 62.300 -0.176 0.000 1.036 371 V CB -0.290 31.379 31.823 -0.256 0.000 0.664 371 V HN 0.282 nan 8.190 nan 0.000 0.453 372 L N 0.480 121.697 121.223 -0.010 0.000 2.554 372 L HA 0.284 4.624 4.340 -0.000 0.000 0.226 372 L C 1.628 178.633 176.870 0.226 0.000 1.137 372 L CA 0.720 55.599 54.840 0.066 0.000 0.863 372 L CB -0.720 41.456 42.059 0.196 0.000 0.985 372 L HN 0.536 nan 8.230 nan 0.000 0.451 373 G N 0.857 109.748 108.800 0.152 0.000 2.338 373 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.296 373 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.296 373 G C -0.080 174.911 174.900 0.151 0.000 1.040 373 G CA 0.486 45.674 45.100 0.147 0.000 1.004 373 G HN 0.343 nan 8.290 nan 0.000 0.509 374 S N -0.825 114.958 115.700 0.139 0.000 2.677 374 S HA 0.443 4.913 4.470 -0.000 0.000 0.283 374 S C 1.103 175.686 174.600 -0.029 0.000 1.159 374 S CA -0.780 57.467 58.200 0.078 0.000 1.001 374 S CB 1.696 65.019 63.200 0.205 0.000 1.032 374 S HN 0.250 nan 8.310 nan 0.000 0.487 375 L N 1.935 123.114 121.223 -0.073 0.000 2.362 375 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 375 L C 2.088 178.850 176.870 -0.182 0.000 1.134 375 L CA 1.109 55.898 54.840 -0.086 0.000 0.807 375 L CB -0.345 41.678 42.059 -0.060 0.000 0.927 375 L HN 0.696 nan 8.230 nan 0.000 0.447 376 E N 0.528 120.485 120.200 -0.404 0.000 2.204 376 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 376 E C 2.248 178.453 176.600 -0.658 0.000 0.990 376 E CA 0.959 56.939 56.400 -0.699 0.000 0.821 376 E CB -0.111 28.784 29.700 -1.342 0.000 0.750 376 E HN 0.508 nan 8.360 nan 0.000 0.477 377 A N 0.747 123.308 122.820 -0.431 0.000 2.121 377 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 377 A C 1.890 179.652 177.584 0.297 0.000 1.154 377 A CA 0.727 52.805 52.037 0.068 0.000 0.679 377 A CB -0.299 18.876 19.000 0.292 0.000 0.795 377 A HN 0.166 nan 8.150 nan 0.000 0.458 378 L N -1.212 120.084 121.223 0.122 0.000 2.591 378 L HA 0.123 4.463 4.340 -0.000 0.000 0.228 378 L C 0.382 177.331 176.870 0.131 0.000 1.133 378 L CA 0.255 55.164 54.840 0.114 0.000 0.880 378 L CB 0.018 42.101 42.059 0.040 0.000 1.033 378 L HN 0.211 nan 8.230 nan 0.000 0.450 379 E N 0.873 121.197 120.200 0.206 0.000 3.312 379 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 379 E C -2.246 174.524 176.600 0.284 0.000 1.160 379 E CA -1.743 54.768 56.400 0.186 0.000 1.267 379 E CB 0.610 30.376 29.700 0.110 0.000 1.361 379 E HN 0.056 nan 8.360 nan 0.000 0.433 380 P HA -0.039 nan 4.420 nan 0.000 0.271 380 P C 0.790 178.128 177.300 0.062 0.000 1.218 380 P CA -0.043 63.038 63.100 -0.032 0.000 0.780 380 P CB 1.605 33.236 31.700 -0.115 0.000 0.901 381 V N -1.661 118.306 119.914 0.090 0.000 3.565 381 V HA 0.286 4.406 4.120 -0.000 0.000 0.260 381 V C 0.534 176.757 176.094 0.215 0.000 1.231 381 V CA 0.874 63.261 62.300 0.144 0.000 1.100 381 V CB -1.155 30.758 31.823 0.149 0.000 0.807 381 V HN 0.665 nan 8.190 nan 0.000 0.454 382 H N -1.272 117.867 119.070 0.116 0.000 3.003 382 H HA 0.635 5.191 4.556 0.000 0.000 0.327 382 H C -2.271 173.265 175.328 0.346 0.000 1.353 382 H CA -0.762 55.371 56.048 0.142 0.000 1.142 382 H CB 1.977 31.717 29.762 -0.037 0.000 1.864 382 H HN 0.146 nan 8.280 nan 0.000 0.529 383 Y N 1.351 121.367 120.300 -0.474 0.000 2.482 383 Y HA 0.497 5.047 4.550 -0.000 0.000 0.334 383 Y C -1.743 174.015 175.900 -0.237 0.000 1.091 383 Y CA -0.638 57.365 58.100 -0.162 0.000 1.027 383 Y CB 1.734 40.121 38.460 -0.122 0.000 1.306 383 Y HN 0.630 nan 8.280 nan 0.000 0.446 384 E N 4.294 124.222 120.200 -0.453 0.000 2.340 384 E HA 0.418 4.768 4.350 -0.000 0.000 0.273 384 E C -1.509 174.727 176.600 -0.607 0.000 0.891 384 E CA -0.803 55.350 56.400 -0.412 0.000 0.757 384 E CB 2.801 32.492 29.700 -0.015 0.000 1.231 384 E HN 0.762 nan 8.360 nan 0.000 0.439 385 E N 0.481 120.430 120.200 -0.419 0.000 2.412 385 E HA 0.661 5.011 4.350 -0.000 0.000 0.279 385 E C -1.218 175.337 176.600 -0.075 0.000 0.984 385 E CA -1.053 55.202 56.400 -0.242 0.000 0.788 385 E CB 2.665 32.200 29.700 -0.274 0.000 1.277 385 E HN 0.175 nan 8.360 nan 0.000 0.455 386 K N 1.446 121.854 120.400 0.012 0.000 2.565 386 K HA 0.270 4.590 4.320 -0.000 0.000 0.249 386 K C -1.555 175.019 176.600 -0.043 0.000 0.958 386 K CA -0.748 55.489 56.287 -0.084 0.000 0.806 386 K CB 1.473 33.882 32.500 -0.152 0.000 1.194 386 K HN 0.523 nan 8.250 nan 0.000 0.434 387 N N 4.105 122.740 118.700 -0.107 0.000 2.437 387 N HA 0.099 4.839 4.740 -0.000 0.000 0.243 387 N C -0.263 175.201 175.510 -0.076 0.000 1.041 387 N CA -0.348 52.699 53.050 -0.005 0.000 0.940 387 N CB 0.349 38.840 38.487 0.007 0.000 1.133 387 N HN 0.648 nan 8.380 nan 0.000 0.506 388 W N 2.172 123.507 121.300 0.059 0.000 2.937 388 W HA 0.071 4.731 4.660 -0.000 0.000 0.245 388 W C 1.921 178.454 176.519 0.023 0.000 1.306 388 W CA -0.119 57.255 57.345 0.048 0.000 1.470 388 W CB -0.128 29.376 29.460 0.072 0.000 1.132 388 W HN 0.588 nan 8.180 nan 0.000 0.675 389 C N 0.472 119.875 119.300 0.172 0.000 2.432 389 C HA -0.149 4.311 4.460 -0.000 0.000 0.282 389 C C 2.330 177.346 174.990 0.043 0.000 1.388 389 C CA 1.367 60.444 59.018 0.097 0.000 1.777 389 C CB -1.450 26.330 27.740 0.067 0.000 1.882 389 C HN 0.492 nan 8.230 nan 0.000 0.520 390 E N 0.763 120.968 120.200 0.007 0.000 2.478 390 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 390 E C -0.061 176.510 176.600 -0.049 0.000 1.045 390 E CA 0.370 56.749 56.400 -0.034 0.000 0.868 390 E CB -0.168 29.496 29.700 -0.060 0.000 0.885 390 E HN 0.502 nan 8.360 nan 0.000 0.505 391 E N 2.189 122.378 120.200 -0.017 0.000 2.129 391 E HA -0.013 4.337 4.350 -0.000 0.000 0.283 391 E C 0.468 177.047 176.600 -0.034 0.000 1.080 391 E CA 0.001 56.394 56.400 -0.012 0.000 0.867 391 E CB 1.519 31.269 29.700 0.083 0.000 1.056 391 E HN 0.344 nan 8.360 nan 0.000 0.404 392 Q N 2.959 122.674 119.800 -0.142 0.000 2.135 392 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 392 Q C 0.355 176.112 176.000 -0.405 0.000 0.981 392 Q CA 1.623 57.222 55.803 -0.340 0.000 0.856 392 Q CB 0.097 28.498 28.738 -0.562 0.000 0.902 392 Q HN 0.599 nan 8.270 nan 0.000 0.425 393 Y N -0.989 119.337 120.300 0.045 0.000 2.524 393 Y HA 0.251 4.801 4.550 -0.000 0.000 0.266 393 Y C 1.488 177.446 175.900 0.096 0.000 1.180 393 Y CA -0.304 57.831 58.100 0.059 0.000 1.244 393 Y CB 0.905 39.392 38.460 0.046 0.000 1.125 393 Y HN 0.075 nan 8.280 nan 0.000 0.524 394 S N -1.601 114.220 115.700 0.201 0.000 2.807 394 S HA 0.288 4.758 4.470 -0.000 0.000 0.247 394 S C 1.839 176.517 174.600 0.130 0.000 1.078 394 S CA 0.557 58.881 58.200 0.207 0.000 0.867 394 S CB 0.580 63.981 63.200 0.336 0.000 0.797 394 S HN 0.526 nan 8.310 nan 0.000 0.515 395 G N 1.040 109.897 108.800 0.096 0.000 2.225 395 G HA2 0.091 4.051 3.960 -0.000 0.000 0.254 395 G HA3 0.091 4.051 3.960 -0.000 0.000 0.254 395 G C 0.489 175.429 174.900 0.067 0.000 0.988 395 G CA 0.074 45.202 45.100 0.046 0.000 0.625 395 G HN 1.382 nan 8.290 nan 0.000 0.527 396 G N -2.364 106.514 108.800 0.131 0.000 2.362 396 G HA2 0.517 4.477 3.960 -0.000 0.000 0.288 396 G HA3 0.517 4.477 3.960 -0.000 0.000 0.288 396 G C -0.967 174.005 174.900 0.121 0.000 1.305 396 G CA 0.303 45.485 45.100 0.136 0.000 0.910 396 G HN 1.480 nan 8.290 nan 0.000 0.518 397 C N -1.640 117.679 119.300 0.032 0.000 3.311 397 C HA 0.594 5.054 4.460 -0.000 0.000 0.325 397 C C 0.745 175.578 174.990 -0.263 0.000 1.352 397 C CA -0.635 58.326 59.018 -0.094 0.000 1.308 397 C CB 0.795 28.377 27.740 -0.265 0.000 1.619 397 C HN 0.739 nan 8.230 nan 0.000 0.469 398 Y N 0.565 120.798 120.300 -0.112 0.000 2.395 398 Y HA 0.237 4.787 4.550 -0.000 0.000 0.293 398 Y C 1.548 177.419 175.900 -0.049 0.000 1.123 398 Y CA 1.071 59.078 58.100 -0.155 0.000 1.227 398 Y CB -0.341 38.007 38.460 -0.186 0.000 1.012 398 Y HN 0.676 nan 8.280 nan 0.000 0.552 399 T N -1.844 112.798 114.554 0.147 0.000 2.711 399 T HA 0.335 4.685 4.350 -0.000 0.000 0.302 399 T C -0.840 173.968 174.700 0.180 0.000 1.373 399 T CA -0.722 61.505 62.100 0.211 0.000 1.000 399 T CB 1.058 70.146 68.868 0.367 0.000 1.483 399 T HN -0.153 nan 8.240 nan 0.000 0.499 400 T N 2.721 117.395 114.554 0.199 0.000 2.851 400 T HA 0.474 4.824 4.350 -0.000 0.000 0.298 400 T C -0.771 173.956 174.700 0.045 0.000 0.977 400 T CA 0.045 62.167 62.100 0.038 0.000 1.126 400 T CB -0.382 68.496 68.868 0.017 0.000 0.916 400 T HN 0.468 nan 8.240 nan 0.000 0.529 401 Y N 0.947 121.047 120.300 -0.334 0.000 2.496 401 Y HA 0.790 5.340 4.550 -0.000 0.000 0.331 401 Y C -1.250 174.105 175.900 -0.909 0.000 1.140 401 Y CA -2.233 55.325 58.100 -0.903 0.000 1.166 401 Y CB 0.769 38.838 38.460 -0.653 0.000 1.249 401 Y HN 0.401 nan 8.280 nan 0.000 0.479 402 F N 3.241 122.444 119.950 -1.246 0.000 2.402 402 F HA 0.561 5.088 4.527 -0.000 0.000 0.355 402 F C -2.304 173.393 175.800 -0.171 0.000 1.123 402 F CA -2.750 54.880 58.000 -0.616 0.000 1.021 402 F CB 1.463 40.146 39.000 -0.528 0.000 1.160 402 F HN 0.362 nan 8.300 nan 0.000 0.451 403 P HA 0.097 nan 4.420 nan 0.000 0.271 403 P C -2.527 174.869 177.300 0.160 0.000 1.244 403 P CA -1.088 62.090 63.100 0.130 0.000 0.793 403 P CB -0.149 31.578 31.700 0.045 0.000 0.984 404 P HA -0.038 nan 4.420 nan 0.000 0.262 404 P C 0.878 178.268 177.300 0.149 0.000 1.182 404 P CA 1.241 64.441 63.100 0.166 0.000 0.761 404 P CB -0.045 31.735 31.700 0.134 0.000 0.795 405 G N 2.912 111.814 108.800 0.171 0.000 2.217 405 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G C 0.795 175.809 174.900 0.190 0.000 0.990 405 G CA 0.075 45.267 45.100 0.153 0.000 0.627 405 G HN 0.433 nan 8.290 nan 0.000 0.522 406 I N 0.152 120.864 120.570 0.237 0.000 2.400 406 I HA 0.162 4.332 4.170 -0.000 0.000 0.248 406 I C 2.624 178.979 176.117 0.397 0.000 1.109 406 I CA 1.229 62.723 61.300 0.322 0.000 1.425 406 I CB -1.174 36.940 38.000 0.191 0.000 1.094 406 I HN 0.269 nan 8.210 nan 0.000 0.425 407 L N 1.207 122.649 121.223 0.364 0.000 2.042 407 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 407 L C 2.655 179.599 176.870 0.123 0.000 1.076 407 L CA 2.526 57.458 54.840 0.154 0.000 0.749 407 L CB -0.964 41.091 42.059 -0.007 0.000 0.893 407 L HN 0.428 nan 8.230 nan 0.000 0.432 408 T N -4.168 110.468 114.554 0.137 0.000 2.821 408 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 408 T C 1.809 176.472 174.700 -0.062 0.000 1.046 408 T CA 1.010 63.161 62.100 0.085 0.000 1.139 408 T CB -0.351 68.573 68.868 0.094 0.000 0.871 408 T HN 0.356 nan 8.240 nan 0.000 0.454 409 Q N -0.091 119.672 119.800 -0.061 0.000 2.212 409 Q HA 0.106 4.446 4.340 -0.000 0.000 0.199 409 Q C 1.142 176.830 176.000 -0.520 0.000 0.950 409 Q CA 1.165 56.792 55.803 -0.293 0.000 0.863 409 Q CB 0.005 28.562 28.738 -0.301 0.000 0.944 409 Q HN 0.772 nan 8.270 nan 0.000 0.465 410 Y N -1.728 118.508 120.300 -0.108 0.000 2.471 410 Y HA 0.267 4.817 4.550 -0.000 0.000 0.249 410 Y C 2.008 177.793 175.900 -0.192 0.000 1.116 410 Y CA 0.082 58.103 58.100 -0.132 0.000 1.240 410 Y CB 0.272 38.695 38.460 -0.063 0.000 1.251 410 Y HN 0.081 nan 8.280 nan 0.000 0.527 411 G N 1.582 110.299 108.800 -0.139 0.000 2.450 411 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 411 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 411 G C 1.763 176.242 174.900 -0.701 0.000 1.130 411 G CA 1.068 46.002 45.100 -0.278 0.000 0.760 411 G HN 0.397 nan 8.290 nan 0.000 0.557 412 R N 0.704 120.519 120.500 -1.141 0.000 2.237 412 R HA 0.008 4.348 4.340 -0.000 0.000 0.219 412 R C 2.041 178.113 176.300 -0.380 0.000 1.080 412 R CA 1.566 57.035 56.100 -1.053 0.000 0.995 412 R CB -0.710 28.985 30.300 -1.009 0.000 0.875 412 R HN 0.520 nan 8.270 nan 0.000 0.462 413 V N -2.051 117.699 119.914 -0.273 0.000 3.649 413 V HA 0.107 4.227 4.120 -0.000 0.000 0.275 413 V C 2.074 178.071 176.094 -0.162 0.000 1.281 413 V CA 0.160 62.361 62.300 -0.166 0.000 1.143 413 V CB -0.339 31.398 31.823 -0.144 0.000 0.892 413 V HN 0.141 nan 8.190 nan 0.000 0.441 414 L N 1.593 122.755 121.223 -0.103 0.000 2.021 414 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 414 L C 2.779 179.595 176.870 -0.090 0.000 1.074 414 L CA 2.711 57.513 54.840 -0.062 0.000 0.760 414 L CB -0.087 42.031 42.059 0.097 0.000 0.889 414 L HN 0.553 nan 8.230 nan 0.000 0.433 415 R N -0.758 119.781 120.500 0.065 0.000 2.577 415 R HA 0.143 4.483 4.340 -0.000 0.000 0.344 415 R C 0.480 176.928 176.300 0.246 0.000 1.037 415 R CA -0.243 55.981 56.100 0.207 0.000 1.102 415 R CB -0.050 30.435 30.300 0.308 0.000 1.313 415 R HN 0.225 nan 8.270 nan 0.000 0.561 416 Q N 2.661 122.529 119.800 0.114 0.000 2.286 416 Q HA 0.215 4.555 4.340 -0.000 0.000 0.267 416 Q C -2.107 174.014 176.000 0.200 0.000 1.028 416 Q CA -2.115 53.758 55.803 0.118 0.000 0.901 416 Q CB 0.885 29.635 28.738 0.021 0.000 1.183 416 Q HN 0.034 nan 8.270 nan 0.000 0.392 417 P HA -0.048 nan 4.420 nan 0.000 0.267 417 P C -1.265 176.033 177.300 -0.004 0.000 1.200 417 P CA -0.050 62.998 63.100 -0.087 0.000 0.772 417 P CB 0.657 32.045 31.700 -0.519 0.000 0.855 418 V N 3.372 123.290 119.914 0.006 0.000 2.275 418 V HA 0.153 4.273 4.120 -0.000 0.000 0.272 418 V C 0.681 176.739 176.094 -0.061 0.000 1.028 418 V CA 0.098 62.403 62.300 0.008 0.000 0.810 418 V CB 0.072 31.942 31.823 0.078 0.000 1.043 418 V HN 0.771 nan 8.190 nan 0.000 0.453 419 D N 4.021 124.389 120.400 -0.055 0.000 4.372 419 D HA -0.302 4.338 4.640 -0.000 0.000 0.169 419 D C 1.352 177.634 176.300 -0.031 0.000 0.680 419 D CA 2.403 56.387 54.000 -0.025 0.000 1.152 419 D CB -0.261 40.538 40.800 -0.001 0.000 0.585 419 D HN 0.571 nan 8.370 nan 0.000 0.493 420 R N -0.137 120.371 120.500 0.015 0.000 2.468 420 R HA 0.451 4.791 4.340 -0.000 0.000 0.280 420 R C -0.195 176.199 176.300 0.158 0.000 0.963 420 R CA -0.156 56.048 56.100 0.173 0.000 1.083 420 R CB 0.477 30.833 30.300 0.093 0.000 1.200 420 R HN 0.286 nan 8.270 nan 0.000 0.541 421 I N 1.262 121.775 120.570 -0.095 0.000 2.315 421 I HA 0.219 4.388 4.170 -0.000 0.000 0.291 421 I C -0.568 175.200 176.117 -0.582 0.000 1.006 421 I CA -0.621 60.542 61.300 -0.228 0.000 1.265 421 I CB 0.649 38.490 38.000 -0.265 0.000 1.387 421 I HN -0.080 nan 8.210 nan 0.000 0.475 422 Y N 5.296 125.352 120.300 -0.406 0.000 2.528 422 Y HA 0.546 5.096 4.550 -0.000 0.000 0.335 422 Y C -0.531 175.034 175.900 -0.557 0.000 1.093 422 Y CA -0.711 57.179 58.100 -0.348 0.000 1.134 422 Y CB 1.546 39.927 38.460 -0.131 0.000 1.253 422 Y HN 0.281 nan 8.280 nan 0.000 0.478 423 F N 1.214 121.276 119.950 0.187 0.000 2.427 423 F HA 0.710 5.237 4.527 -0.000 0.000 0.348 423 F C 0.399 176.278 175.800 0.131 0.000 1.125 423 F CA -0.598 57.484 58.000 0.137 0.000 0.989 423 F CB 1.115 40.179 39.000 0.108 0.000 1.165 423 F HN 0.598 nan 8.300 nan 0.000 0.442 424 A N 2.289 125.258 122.820 0.248 0.000 3.444 424 A HA 0.953 5.273 4.320 -0.000 0.000 0.189 424 A C 0.391 178.104 177.584 0.216 0.000 1.542 424 A CA -0.394 51.755 52.037 0.186 0.000 0.867 424 A CB -0.045 19.021 19.000 0.111 0.000 1.712 424 A HN 1.500 nan 8.150 nan 0.000 0.556 425 G N -2.522 106.384 108.800 0.177 0.000 2.777 425 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 425 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 425 G C 0.428 175.456 174.900 0.215 0.000 1.177 425 G CA 0.596 45.808 45.100 0.187 0.000 0.775 425 G HN 1.531 nan 8.290 nan 0.000 0.613 426 T N 0.232 114.915 114.554 0.215 0.000 2.849 426 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 426 T C 2.111 177.008 174.700 0.329 0.000 1.066 426 T CA 2.677 64.929 62.100 0.255 0.000 1.130 426 T CB -0.171 68.845 68.868 0.247 0.000 0.864 426 T HN 0.623 nan 8.240 nan 0.000 0.481 427 E N 0.468 120.868 120.200 0.334 0.000 2.265 427 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 427 E C 2.230 179.080 176.600 0.416 0.000 0.996 427 E CA 1.511 58.158 56.400 0.412 0.000 0.832 427 E CB -0.185 29.723 29.700 0.346 0.000 0.756 427 E HN 0.707 nan 8.360 nan 0.000 0.491 428 T N -2.595 112.168 114.554 0.349 0.000 3.107 428 T HA 0.444 4.794 4.350 -0.000 0.000 0.249 428 T C 0.807 175.738 174.700 0.386 0.000 1.096 428 T CA 0.014 62.322 62.100 0.346 0.000 1.012 428 T CB 0.189 69.239 68.868 0.304 0.000 0.977 428 T HN 0.094 nan 8.240 nan 0.000 0.527 429 A N 1.720 124.771 122.820 0.385 0.000 2.346 429 A HA 0.545 4.865 4.320 -0.000 0.000 0.252 429 A C 1.496 179.340 177.584 0.432 0.000 1.089 429 A CA 0.108 52.373 52.037 0.380 0.000 0.797 429 A CB 0.361 19.545 19.000 0.306 0.000 1.047 429 A HN 0.507 nan 8.150 nan 0.000 0.494 430 T N -2.513 112.275 114.554 0.390 0.000 3.010 430 T HA 0.238 4.588 4.350 -0.000 0.000 0.257 430 T C 0.243 175.047 174.700 0.174 0.000 1.020 430 T CA 0.629 62.915 62.100 0.311 0.000 0.938 430 T CB -0.362 68.637 68.868 0.218 0.000 1.049 430 T HN 0.752 nan 8.240 nan 0.000 0.522 431 H N -1.013 118.081 119.070 0.040 0.000 2.934 431 H HA 0.271 4.827 4.556 -0.000 0.000 0.340 431 H C -0.993 174.343 175.328 0.013 0.000 1.008 431 H CA -1.072 54.922 56.048 -0.091 0.000 1.317 431 H CB 0.922 30.690 29.762 0.009 0.000 1.670 431 H HN 0.308 nan 8.280 nan 0.000 0.516 432 W N 2.172 123.183 121.300 -0.483 0.000 5.121 432 W HA -0.247 4.413 4.660 0.000 0.000 0.372 432 W C 0.494 176.910 176.519 -0.171 0.000 1.394 432 W CA 0.945 57.960 57.345 -0.550 0.000 0.885 432 W CB -1.720 27.332 29.460 -0.681 0.000 2.520 432 W HN 0.400 nan 8.180 nan 0.000 1.455 433 S N 0.539 116.248 115.700 0.015 0.000 2.558 433 S HA 0.376 4.846 4.470 -0.000 0.000 0.293 433 S C 1.408 176.206 174.600 0.329 0.000 1.292 433 S CA 1.744 60.076 58.200 0.220 0.000 1.063 433 S CB 0.762 64.161 63.200 0.332 0.000 0.831 433 S HN 1.433 nan 8.310 nan 0.000 0.499 434 G N 3.096 112.177 108.800 0.468 0.000 2.232 434 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.226 434 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.226 434 G C -0.211 174.855 174.900 0.277 0.000 0.996 434 G CA 0.224 45.626 45.100 0.503 0.000 0.626 434 G HN 0.680 nan 8.290 nan 0.000 0.509 435 Y N -0.400 120.009 120.300 0.182 0.000 2.602 435 Y HA 0.723 5.273 4.550 -0.000 0.000 0.330 435 Y C 1.982 177.924 175.900 0.069 0.000 1.114 435 Y CA -0.788 57.372 58.100 0.100 0.000 1.182 435 Y CB 0.810 39.317 38.460 0.077 0.000 1.305 435 Y HN -0.026 nan 8.280 nan 0.000 0.502 436 M N -0.139 119.572 119.600 0.185 0.000 2.149 436 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 436 M C 1.826 178.190 176.300 0.108 0.000 1.064 436 M CA 1.915 57.288 55.300 0.122 0.000 1.102 436 M CB -0.228 32.435 32.600 0.106 0.000 1.369 436 M HN 0.783 nan 8.290 nan 0.000 0.408 437 E N 0.766 121.009 120.200 0.071 0.000 2.058 437 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 437 E C 1.966 178.627 176.600 0.101 0.000 0.997 437 E CA 2.080 58.485 56.400 0.009 0.000 0.801 437 E CB -0.683 28.895 29.700 -0.204 0.000 0.746 437 E HN 0.423 nan 8.360 nan 0.000 0.450 438 G N 0.113 109.019 108.800 0.177 0.000 2.422 438 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 438 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 438 G C 1.714 176.726 174.900 0.186 0.000 1.146 438 G CA 1.183 46.409 45.100 0.210 0.000 0.769 438 G HN 0.482 nan 8.290 nan 0.000 0.547 439 A N 0.227 123.147 122.820 0.166 0.000 1.883 439 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 439 A C 2.627 180.272 177.584 0.102 0.000 1.186 439 A CA 2.028 54.146 52.037 0.135 0.000 0.624 439 A CB -0.693 18.377 19.000 0.115 0.000 0.822 439 A HN 0.279 nan 8.150 nan 0.000 0.444 440 V N 0.064 120.031 119.914 0.087 0.000 2.295 440 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 440 V C 2.541 178.674 176.094 0.064 0.000 1.049 440 V CA 2.223 64.561 62.300 0.062 0.000 1.024 440 V CB -0.831 31.022 31.823 0.050 0.000 0.648 440 V HN 0.753 nan 8.190 nan 0.000 0.447 441 E N 0.477 120.734 120.200 0.095 0.000 2.070 441 E HA -0.300 4.050 4.350 -0.000 0.000 0.197 441 E C 2.212 178.849 176.600 0.062 0.000 1.004 441 E CA 1.868 58.332 56.400 0.106 0.000 0.805 441 E CB -0.200 29.610 29.700 0.184 0.000 0.744 441 E HN 0.552 nan 8.360 nan 0.000 0.451 442 A N 0.593 123.471 122.820 0.097 0.000 1.898 442 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 442 A C 2.416 180.018 177.584 0.030 0.000 1.181 442 A CA 1.662 53.748 52.037 0.082 0.000 0.620 442 A CB -1.000 18.095 19.000 0.159 0.000 0.819 442 A HN 0.454 nan 8.150 nan 0.000 0.442 443 G N -0.397 108.426 108.800 0.039 0.000 2.404 443 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 443 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 443 G C 1.441 176.324 174.900 -0.027 0.000 1.174 443 G CA 0.951 46.061 45.100 0.017 0.000 0.780 443 G HN 0.639 nan 8.290 nan 0.000 0.537 444 E N -0.209 119.970 120.200 -0.034 0.000 2.106 444 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 444 E C 2.581 179.102 176.600 -0.132 0.000 0.984 444 E CA 0.258 56.620 56.400 -0.063 0.000 0.806 444 E CB -0.106 29.572 29.700 -0.036 0.000 0.750 444 E HN 0.189 nan 8.360 nan 0.000 0.458 445 R N 1.251 121.635 120.500 -0.194 0.000 2.073 445 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 445 R C 2.123 178.241 176.300 -0.304 0.000 1.134 445 R CA 1.530 57.398 56.100 -0.386 0.000 0.952 445 R CB -0.384 29.505 30.300 -0.685 0.000 0.850 445 R HN 0.152 nan 8.270 nan 0.000 0.433 446 A N 0.789 123.505 122.820 -0.173 0.000 1.933 446 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 446 A C 2.417 179.890 177.584 -0.185 0.000 1.175 446 A CA 1.833 53.807 52.037 -0.105 0.000 0.628 446 A CB -0.696 18.305 19.000 0.001 0.000 0.814 446 A HN 0.513 nan 8.150 nan 0.000 0.444 447 A N -0.126 122.601 122.820 -0.156 0.000 1.902 447 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 447 A C 2.244 179.703 177.584 -0.208 0.000 1.181 447 A CA 1.558 53.496 52.037 -0.165 0.000 0.623 447 A CB -0.461 18.478 19.000 -0.102 0.000 0.818 447 A HN 0.551 nan 8.150 nan 0.000 0.443 448 R N -0.461 119.922 120.500 -0.194 0.000 2.148 448 R HA -0.070 4.270 4.340 -0.000 0.000 0.223 448 R C 1.999 178.180 176.300 -0.198 0.000 1.088 448 R CA 1.186 57.179 56.100 -0.177 0.000 0.985 448 R CB -0.245 29.958 30.300 -0.162 0.000 0.880 448 R HN 0.678 nan 8.270 nan 0.000 0.451 449 E N 0.730 120.771 120.200 -0.265 0.000 2.077 449 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 449 E C 1.952 178.250 176.600 -0.504 0.000 0.989 449 E CA 1.136 57.368 56.400 -0.279 0.000 0.800 449 E CB -0.078 29.488 29.700 -0.222 0.000 0.746 449 E HN 0.332 nan 8.360 nan 0.000 0.452 450 I N 0.924 121.063 120.570 -0.718 0.000 2.252 450 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 450 I C 2.329 178.134 176.117 -0.521 0.000 1.102 450 I CA 0.841 61.622 61.300 -0.865 0.000 1.385 450 I CB -0.168 37.358 38.000 -0.790 0.000 1.064 450 I HN 0.109 nan 8.210 nan 0.000 0.414 451 L N -0.026 121.014 121.223 -0.305 0.000 2.042 451 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 451 L C 2.727 179.528 176.870 -0.114 0.000 1.076 451 L CA 1.667 56.405 54.840 -0.171 0.000 0.749 451 L CB -0.909 41.086 42.059 -0.107 0.000 0.893 451 L HN 0.366 nan 8.230 nan 0.000 0.432 452 H N 0.043 119.006 119.070 -0.178 0.000 2.357 452 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 452 H C 2.115 177.386 175.328 -0.096 0.000 1.082 452 H CA 1.403 57.387 56.048 -0.108 0.000 1.342 452 H CB 0.087 29.803 29.762 -0.076 0.000 1.389 452 H HN 0.260 nan 8.280 nan 0.000 0.511 453 A N 0.388 123.053 122.820 -0.258 0.000 1.972 453 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 453 A C 2.225 179.719 177.584 -0.149 0.000 1.169 453 A CA 1.690 53.590 52.037 -0.228 0.000 0.635 453 A CB -0.564 18.279 19.000 -0.262 0.000 0.810 453 A HN 0.559 nan 8.150 nan 0.000 0.446 454 M N -1.387 118.112 119.600 -0.170 0.000 2.561 454 M HA 0.172 4.652 4.480 -0.000 0.000 0.238 454 M C 1.288 177.550 176.300 -0.064 0.000 1.131 454 M CA 0.723 55.993 55.300 -0.051 0.000 1.046 454 M CB 0.224 32.802 32.600 -0.037 0.000 1.532 454 M HN 0.597 nan 8.290 nan 0.000 0.497 455 G N 1.326 110.049 108.800 -0.128 0.000 2.147 455 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 455 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 455 G C 0.802 175.672 174.900 -0.050 0.000 1.005 455 G CA 0.496 45.533 45.100 -0.104 0.000 0.713 455 G HN 0.481 nan 8.290 nan 0.000 0.515 456 K N -0.576 119.797 120.400 -0.045 0.000 2.262 456 K HA 0.338 4.658 4.320 -0.000 0.000 0.200 456 K C 1.321 177.920 176.600 -0.001 0.000 1.049 456 K CA 1.237 57.511 56.287 -0.023 0.000 0.979 456 K CB 0.324 32.804 32.500 -0.033 0.000 0.773 456 K HN 0.800 nan 8.250 nan 0.000 0.474 457 I N -1.703 118.880 120.570 0.023 0.000 2.865 457 I HA 0.460 4.630 4.170 -0.000 0.000 0.302 457 I C -2.948 173.254 176.117 0.142 0.000 1.140 457 I CA -3.016 58.317 61.300 0.055 0.000 1.021 457 I CB 2.250 40.269 38.000 0.032 0.000 1.233 457 I HN -0.250 nan 8.210 nan 0.000 0.427 458 P HA 0.113 nan 4.420 nan 0.000 0.274 458 P C 0.214 177.561 177.300 0.077 0.000 1.246 458 P CA -0.023 63.162 63.100 0.142 0.000 0.795 458 P CB 1.086 32.829 31.700 0.072 0.000 1.006 459 E N 0.626 120.808 120.200 -0.031 0.000 2.118 459 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 459 E C 0.948 177.476 176.600 -0.119 0.000 0.992 459 E CA 1.707 57.905 56.400 -0.336 0.000 0.804 459 E CB -0.207 29.355 29.700 -0.229 0.000 0.741 459 E HN 0.514 nan 8.360 nan 0.000 0.458 460 D N -0.327 120.060 120.400 -0.022 0.000 2.378 460 D HA -0.131 4.509 4.640 -0.000 0.000 0.227 460 D C 0.946 177.271 176.300 0.043 0.000 1.012 460 D CA 0.637 54.652 54.000 0.024 0.000 0.905 460 D CB -0.145 40.670 40.800 0.026 0.000 0.895 460 D HN 0.274 nan 8.370 nan 0.000 0.532 461 E N -0.534 119.677 120.200 0.019 0.000 2.481 461 E HA 0.198 4.548 4.350 -0.000 0.000 0.198 461 E C 1.654 178.252 176.600 -0.004 0.000 1.027 461 E CA -0.239 56.173 56.400 0.020 0.000 0.900 461 E CB 0.246 29.955 29.700 0.014 0.000 0.993 461 E HN 0.345 nan 8.360 nan 0.000 0.482 462 I N -0.010 120.546 120.570 -0.023 0.000 2.179 462 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 462 I C 0.452 176.443 176.117 -0.210 0.000 1.088 462 I CA 1.120 62.341 61.300 -0.131 0.000 1.357 462 I CB 0.064 37.979 38.000 -0.142 0.000 1.051 462 I HN 0.094 nan 8.210 nan 0.000 0.409 463 W N 1.831 123.126 121.300 -0.008 0.000 2.349 463 W HA 0.482 5.142 4.660 -0.000 0.000 0.309 463 W C -0.305 176.218 176.519 0.007 0.000 1.083 463 W CA -0.295 57.056 57.345 0.010 0.000 1.224 463 W CB 0.610 30.078 29.460 0.014 0.000 1.256 463 W HN -0.050 nan 8.180 nan 0.000 0.461 464 Q N 2.109 122.024 119.800 0.190 0.000 2.337 464 Q HA 0.378 4.718 4.340 -0.000 0.000 0.270 464 Q C 0.098 176.170 176.000 0.120 0.000 1.043 464 Q CA -0.830 55.045 55.803 0.119 0.000 0.794 464 Q CB 2.341 31.115 28.738 0.060 0.000 1.281 464 Q HN 0.542 nan 8.270 nan 0.000 0.446 465 S N 1.201 116.957 115.700 0.092 0.000 2.589 465 S HA 0.257 4.727 4.470 -0.000 0.000 0.265 465 S C -0.143 174.497 174.600 0.067 0.000 1.342 465 S CA -0.498 57.747 58.200 0.075 0.000 1.005 465 S CB 1.140 64.369 63.200 0.047 0.000 0.909 465 S HN 0.609 nan 8.310 nan 0.000 0.555 466 E N 0.904 121.144 120.200 0.067 0.000 2.218 466 E HA 0.570 4.920 4.350 -0.000 0.000 0.263 466 E C -2.805 173.825 176.600 0.049 0.000 0.879 466 E CA -2.103 54.334 56.400 0.062 0.000 0.762 466 E CB 1.020 30.768 29.700 0.080 0.000 1.166 466 E HN 0.542 nan 8.360 nan 0.000 0.415 467 P HA 0.069 nan 4.420 nan 0.000 0.269 467 P C -0.749 176.570 177.300 0.032 0.000 1.209 467 P CA -0.198 62.919 63.100 0.030 0.000 0.776 467 P CB 0.520 32.234 31.700 0.024 0.000 0.876 468 E N 1.381 121.597 120.200 0.028 0.000 2.384 468 E HA 0.092 4.442 4.350 -0.000 0.000 0.266 468 E C -0.096 176.516 176.600 0.020 0.000 1.012 468 E CA -0.301 56.115 56.400 0.027 0.000 0.901 468 E CB 0.419 30.133 29.700 0.023 0.000 0.967 468 E HN 0.388 nan 8.360 nan 0.000 0.435 469 S N 2.916 118.627 115.700 0.018 0.000 2.546 469 S HA -0.054 4.416 4.470 -0.000 0.000 0.290 469 S C 1.178 175.785 174.600 0.011 0.000 1.290 469 S CA -0.071 58.137 58.200 0.013 0.000 1.069 469 S CB 0.806 64.009 63.200 0.005 0.000 0.846 469 S HN 0.521 nan 8.310 nan 0.000 0.495 470 V N 1.877 121.798 119.914 0.012 0.000 2.951 470 V HA 0.074 4.194 4.120 -0.000 0.000 0.255 470 V C 1.443 177.543 176.094 0.010 0.000 1.088 470 V CA 1.425 63.732 62.300 0.011 0.000 1.109 470 V CB -0.543 31.287 31.823 0.012 0.000 0.724 470 V HN 0.808 nan 8.190 nan 0.000 0.471 471 D N 1.019 121.426 120.400 0.011 0.000 2.271 471 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 471 D C 0.798 177.098 176.300 0.000 0.000 0.967 471 D CA 1.055 55.061 54.000 0.011 0.000 0.867 471 D CB 0.794 41.605 40.800 0.019 0.000 0.960 471 D HN 0.511 nan 8.370 nan 0.000 0.509 472 V N 3.840 123.749 119.914 -0.008 0.000 2.320 472 V HA 0.197 4.317 4.120 -0.000 0.000 0.257 472 V C -2.368 173.715 176.094 -0.017 0.000 0.996 472 V CA -1.325 60.961 62.300 -0.023 0.000 0.928 472 V CB 1.174 32.967 31.823 -0.050 0.000 1.169 472 V HN -0.048 nan 8.190 nan 0.000 0.475 473 P HA 0.313 nan 4.420 nan 0.000 0.271 473 P C -0.364 176.935 177.300 -0.002 0.000 1.218 473 P CA 0.118 63.217 63.100 -0.001 0.000 0.780 473 P CB 1.486 33.187 31.700 0.001 0.000 0.901 474 A N 3.382 126.205 122.820 0.006 0.000 2.260 474 A HA 0.318 4.638 4.320 -0.000 0.000 0.314 474 A C 0.273 177.862 177.584 0.009 0.000 1.257 474 A CA -0.553 51.490 52.037 0.011 0.000 0.871 474 A CB 0.268 19.285 19.000 0.028 0.000 1.166 474 A HN 0.441 nan 8.150 nan 0.000 0.522 475 Q N 2.728 122.531 119.800 0.005 0.000 2.293 475 Q HA 0.342 4.682 4.340 -0.000 0.000 0.251 475 Q C -2.281 173.721 176.000 0.004 0.000 0.930 475 Q CA -1.709 54.096 55.803 0.004 0.000 0.893 475 Q CB 0.870 29.608 28.738 0.001 0.000 1.215 475 Q HN 0.564 nan 8.270 nan 0.000 0.425 476 P HA 0.171 nan 4.420 nan 0.000 0.272 476 P C -0.316 176.981 177.300 -0.005 0.000 1.223 476 P CA -0.366 62.733 63.100 -0.003 0.000 0.784 476 P CB 0.736 32.433 31.700 -0.005 0.000 0.923 477 I N 2.130 122.693 120.570 -0.011 0.000 2.396 477 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 477 I C 1.256 177.363 176.117 -0.016 0.000 1.056 477 I CA 0.275 61.567 61.300 -0.014 0.000 1.365 477 I CB -0.017 37.968 38.000 -0.025 0.000 1.407 477 I HN 0.431 nan 8.210 nan 0.000 0.509 478 T N 2.151 116.699 114.554 -0.009 0.000 2.932 478 T HA 0.836 5.186 4.350 -0.000 0.000 0.289 478 T C -0.053 174.637 174.700 -0.016 0.000 1.039 478 T CA -0.667 61.427 62.100 -0.010 0.000 1.024 478 T CB 2.263 71.132 68.868 0.002 0.000 1.090 478 T HN 0.646 nan 8.240 nan 0.000 0.496 479 T N -1.274 113.267 114.554 -0.022 0.000 2.906 479 T HA 0.731 5.081 4.350 -0.000 0.000 0.295 479 T C 0.186 174.882 174.700 -0.007 0.000 1.075 479 T CA -0.703 61.375 62.100 -0.037 0.000 1.005 479 T CB 1.347 70.168 68.868 -0.079 0.000 1.136 479 T HN 1.044 nan 8.240 nan 0.000 0.498 480 T N -0.553 114.001 114.554 0.000 0.000 2.902 480 T HA 0.442 4.792 4.350 -0.000 0.000 0.280 480 T C 0.831 175.580 174.700 0.082 0.000 0.992 480 T CA -0.860 61.275 62.100 0.059 0.000 1.015 480 T CB 0.739 69.647 68.868 0.067 0.000 1.044 480 T HN 0.522 nan 8.240 nan 0.000 0.520 481 F N 0.788 120.755 119.950 0.028 0.000 2.095 481 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 481 F C 1.943 177.805 175.800 0.104 0.000 1.104 481 F CA 1.483 59.541 58.000 0.096 0.000 1.232 481 F CB -0.461 38.603 39.000 0.106 0.000 0.987 481 F HN 0.507 nan 8.300 nan 0.000 0.475 482 L N -0.178 121.162 121.223 0.195 0.000 2.093 482 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 482 L C 2.361 179.231 176.870 0.000 0.000 1.085 482 L CA 1.567 56.470 54.840 0.105 0.000 0.755 482 L CB -0.753 41.392 42.059 0.145 0.000 0.904 482 L HN 0.160 nan 8.230 nan 0.000 0.435 483 E N -0.110 120.078 120.200 -0.021 0.000 2.085 483 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 483 E C 2.363 178.845 176.600 -0.196 0.000 0.994 483 E CA 1.049 57.395 56.400 -0.091 0.000 0.801 483 E CB 0.003 29.644 29.700 -0.099 0.000 0.743 483 E HN 0.385 nan 8.360 nan 0.000 0.453 484 R N -0.421 119.894 120.500 -0.308 0.000 2.090 484 R HA -0.051 4.289 4.340 -0.000 0.000 0.228 484 R C 1.731 177.638 176.300 -0.656 0.000 1.110 484 R CA 1.032 56.806 56.100 -0.543 0.000 0.973 484 R CB 0.038 29.875 30.300 -0.772 0.000 0.869 484 R HN 0.314 nan 8.270 nan 0.000 0.440 485 H N -0.862 118.017 119.070 -0.318 0.000 2.874 485 H HA 0.209 4.765 4.556 -0.000 0.000 0.264 485 H C 0.386 175.609 175.328 -0.176 0.000 1.007 485 H CA -0.183 55.678 56.048 -0.311 0.000 1.207 485 H CB 0.482 29.907 29.762 -0.561 0.000 1.487 485 H HN 0.018 nan 8.280 nan 0.000 0.505 486 L N 4.532 125.732 121.223 -0.037 0.000 2.490 486 L HA 0.062 4.402 4.340 -0.000 0.000 0.274 486 L C -1.628 175.224 176.870 -0.031 0.000 1.201 486 L CA -1.415 53.425 54.840 0.001 0.000 0.869 486 L CB 0.314 42.407 42.059 0.056 0.000 1.123 486 L HN -0.013 nan 8.230 nan 0.000 0.484 487 P HA 0.100 nan 4.420 nan 0.000 0.274 487 P C -0.542 176.710 177.300 -0.081 0.000 1.237 487 P CA -0.560 62.507 63.100 -0.055 0.000 0.793 487 P CB 0.968 32.636 31.700 -0.054 0.000 0.977 488 S N 0.251 115.884 115.700 -0.111 0.000 2.626 488 S HA 0.077 4.547 4.470 -0.000 0.000 0.257 488 S C 1.509 175.974 174.600 -0.225 0.000 1.288 488 S CA -0.513 57.595 58.200 -0.153 0.000 0.980 488 S CB -0.366 62.739 63.200 -0.157 0.000 0.975 488 S HN 0.220 nan 8.310 nan 0.000 0.577 489 V N 2.323 122.038 119.914 -0.331 0.000 2.261 489 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 489 V C -0.412 175.275 176.094 -0.679 0.000 1.047 489 V CA 1.911 63.931 62.300 -0.468 0.000 1.015 489 V CB -1.941 29.590 31.823 -0.487 0.000 0.642 489 V HN 0.807 nan 8.190 nan 0.000 0.446 490 P HA -0.103 nan 4.420 nan 0.000 0.218 490 P C 1.746 178.843 177.300 -0.339 0.000 1.149 490 P CA 1.936 64.586 63.100 -0.750 0.000 0.817 490 P CB -0.275 31.081 31.700 -0.574 0.000 0.785 491 G N 0.684 109.328 108.800 -0.260 0.000 2.418 491 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 491 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 491 G C 1.519 176.342 174.900 -0.129 0.000 1.158 491 G CA 0.572 45.582 45.100 -0.149 0.000 0.771 491 G HN 0.246 nan 8.290 nan 0.000 0.545 492 L N 0.341 121.473 121.223 -0.152 0.000 2.093 492 L HA 0.143 4.483 4.340 -0.000 0.000 0.208 492 L C 2.674 179.480 176.870 -0.106 0.000 1.085 492 L CA 1.248 56.022 54.840 -0.110 0.000 0.755 492 L CB -0.291 41.706 42.059 -0.103 0.000 0.904 492 L HN 0.201 nan 8.230 nan 0.000 0.435 493 L N -1.091 120.039 121.223 -0.156 0.000 2.093 493 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 493 L C 2.756 179.581 176.870 -0.075 0.000 1.085 493 L CA 1.013 55.782 54.840 -0.118 0.000 0.755 493 L CB -0.533 41.426 42.059 -0.167 0.000 0.904 493 L HN 0.210 nan 8.230 nan 0.000 0.435 494 R N -0.287 120.163 120.500 -0.083 0.000 2.096 494 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 494 R C 2.234 178.513 176.300 -0.036 0.000 1.127 494 R CA 1.200 57.271 56.100 -0.048 0.000 0.968 494 R CB -0.412 29.860 30.300 -0.046 0.000 0.861 494 R HN 0.206 nan 8.270 nan 0.000 0.440 495 L N 1.025 122.222 121.223 -0.043 0.000 2.141 495 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 495 L C 1.104 177.960 176.870 -0.023 0.000 1.094 495 L CA 1.309 56.132 54.840 -0.030 0.000 0.763 495 L CB -0.075 41.965 42.059 -0.032 0.000 0.908 495 L HN 0.021 nan 8.230 nan 0.000 0.437 496 I N 0.000 120.554 120.570 -0.027 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.289 61.300 -0.018 0.000 1.566 496 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494