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 2c65_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 0.000 175.512 175.510 0.004 0.000 1.280 3 N CA 0.000 52.933 53.050 -0.195 0.000 0.885 3 N CB 0.000 38.404 38.487 -0.138 0.000 1.341 4 K N 0.706 121.118 120.400 0.020 0.000 2.201 4 K HA 0.583 4.903 4.320 -0.000 0.000 0.278 4 K C -0.579 176.061 176.600 0.066 0.000 1.027 4 K CA -0.513 55.799 56.287 0.042 0.000 0.909 4 K CB 1.485 33.995 32.500 0.016 0.000 1.062 4 K HN 0.596 nan 8.250 nan 0.000 0.465 5 C N -0.959 118.384 119.300 0.072 0.000 3.293 5 C HA 0.386 4.846 4.460 -0.000 0.000 0.362 5 C C 0.697 175.722 174.990 0.060 0.000 1.539 5 C CA -0.801 58.259 59.018 0.070 0.000 1.201 5 C CB 0.893 28.688 27.740 0.091 0.000 1.770 5 C HN 0.784 nan 8.230 nan 0.000 0.440 6 D N 0.237 120.675 120.400 0.063 0.000 2.149 6 D HA 0.136 4.776 4.640 -0.000 0.000 0.206 6 D C 0.300 176.664 176.300 0.107 0.000 0.967 6 D CA 1.706 55.753 54.000 0.078 0.000 0.848 6 D CB 0.271 41.114 40.800 0.073 0.000 0.998 6 D HN 0.482 nan 8.370 nan 0.000 0.474 7 V N 1.424 121.391 119.914 0.089 0.000 2.623 7 V HA 0.248 4.368 4.120 -0.000 0.000 0.304 7 V C -0.188 175.937 176.094 0.052 0.000 1.054 7 V CA -0.828 61.526 62.300 0.091 0.000 0.882 7 V CB 2.793 34.658 31.823 0.070 0.000 1.002 7 V HN -0.241 nan 8.190 nan 0.000 0.424 8 V N 5.299 125.239 119.914 0.043 0.000 2.407 8 V HA 0.395 4.515 4.120 -0.000 0.000 0.278 8 V C -0.047 176.041 176.094 -0.011 0.000 1.037 8 V CA -0.402 61.894 62.300 -0.006 0.000 0.900 8 V CB 1.831 33.645 31.823 -0.016 0.000 0.983 8 V HN 0.634 nan 8.190 nan 0.000 0.459 9 V N 6.305 126.198 119.914 -0.034 0.000 2.370 9 V HA 0.318 4.438 4.120 -0.000 0.000 0.279 9 V C 0.020 176.088 176.094 -0.042 0.000 1.029 9 V CA -0.556 61.730 62.300 -0.025 0.000 0.870 9 V CB 1.744 33.555 31.823 -0.019 0.000 0.984 9 V HN 0.601 nan 8.190 nan 0.000 0.451 10 V N 4.704 124.607 119.914 -0.018 0.000 2.368 10 V HA 0.797 4.917 4.120 -0.000 0.000 0.266 10 V C 0.688 176.787 176.094 0.008 0.000 1.045 10 V CA 0.440 62.730 62.300 -0.017 0.000 0.899 10 V CB 0.435 32.266 31.823 0.012 0.000 1.006 10 V HN 1.262 nan 8.190 nan 0.000 0.470 11 G N 3.660 112.452 108.800 -0.013 0.000 3.367 11 G HA2 0.180 4.140 3.960 -0.000 0.000 0.686 11 G HA3 0.180 4.140 3.960 -0.000 0.000 0.686 11 G C 0.086 174.990 174.900 0.005 0.000 1.146 11 G CA -0.503 44.602 45.100 0.008 0.000 0.913 11 G HN 1.206 nan 8.290 nan 0.000 0.554 12 G N 0.804 109.605 108.800 0.001 0.000 3.959 12 G HA2 0.675 4.635 3.960 -0.000 0.000 0.298 12 G HA3 0.675 4.635 3.960 -0.000 0.000 0.298 12 G C 0.909 175.827 174.900 0.029 0.000 1.211 12 G CA 0.934 46.036 45.100 0.003 0.000 1.001 12 G HN 1.299 nan 8.290 nan 0.000 0.561 13 G N -0.101 108.728 108.800 0.048 0.000 2.553 13 G HA2 0.328 4.288 3.960 -0.000 0.000 0.278 13 G HA3 0.328 4.288 3.960 -0.000 0.000 0.278 13 G C 1.213 176.142 174.900 0.049 0.000 1.349 13 G CA -0.737 44.401 45.100 0.064 0.000 1.037 13 G HN 0.141 nan 8.290 nan 0.000 0.508 14 I N -0.577 120.025 120.570 0.053 0.000 2.208 14 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 14 I C 3.020 179.164 176.117 0.044 0.000 1.097 14 I CA 1.648 62.973 61.300 0.040 0.000 1.363 14 I CB -0.129 37.899 38.000 0.047 0.000 1.051 14 I HN 0.469 nan 8.210 nan 0.000 0.413 15 S N 0.478 116.216 115.700 0.064 0.000 2.355 15 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 15 S C 2.098 176.727 174.600 0.049 0.000 1.031 15 S CA 1.595 59.836 58.200 0.069 0.000 0.993 15 S CB -0.583 62.677 63.200 0.099 0.000 0.859 15 S HN 0.579 nan 8.310 nan 0.000 0.453 16 G N 1.476 110.303 108.800 0.046 0.000 2.418 16 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 16 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 16 G C 1.440 176.345 174.900 0.008 0.000 1.158 16 G CA 0.937 46.053 45.100 0.027 0.000 0.771 16 G HN 0.387 nan 8.290 nan 0.000 0.545 17 M N 1.210 120.814 119.600 0.006 0.000 2.132 17 M HA 0.087 4.567 4.480 -0.000 0.000 0.263 17 M C 2.999 179.292 176.300 -0.010 0.000 1.065 17 M CA 1.211 56.505 55.300 -0.011 0.000 1.122 17 M CB -1.321 31.270 32.600 -0.014 0.000 1.365 17 M HN 0.311 nan 8.290 nan 0.000 0.411 18 A N 0.197 123.017 122.820 0.001 0.000 1.933 18 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 18 A C 2.451 180.035 177.584 -0.001 0.000 1.175 18 A CA 2.051 54.088 52.037 0.001 0.000 0.628 18 A CB -0.872 18.135 19.000 0.012 0.000 0.814 18 A HN 0.466 nan 8.150 nan 0.000 0.444 19 A N -0.053 122.767 122.820 0.000 0.000 1.877 19 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 19 A C 2.532 180.112 177.584 -0.008 0.000 1.186 19 A CA 2.139 54.170 52.037 -0.010 0.000 0.620 19 A CB -1.102 17.894 19.000 -0.008 0.000 0.822 19 A HN 1.058 nan 8.150 nan 0.000 0.443 20 A N -0.275 122.542 122.820 -0.004 0.000 1.902 20 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 20 A C 2.150 179.750 177.584 0.025 0.000 1.181 20 A CA 2.074 54.112 52.037 0.003 0.000 0.623 20 A CB -0.493 18.496 19.000 -0.017 0.000 0.818 20 A HN 0.564 nan 8.150 nan 0.000 0.443 21 K N -0.488 119.917 120.400 0.008 0.000 2.032 21 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 21 K C 2.006 178.645 176.600 0.066 0.000 1.048 21 K CA 1.567 57.872 56.287 0.030 0.000 0.927 21 K CB -0.316 32.184 32.500 0.001 0.000 0.712 21 K HN 0.465 nan 8.250 nan 0.000 0.441 22 L N 1.137 122.376 121.223 0.027 0.000 2.017 22 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 22 L C 2.188 179.066 176.870 0.012 0.000 1.073 22 L CA 1.211 56.059 54.840 0.012 0.000 0.745 22 L CB -0.160 41.890 42.059 -0.014 0.000 0.894 22 L HN 0.247 nan 8.230 nan 0.000 0.432 23 L N -1.075 120.156 121.223 0.013 0.000 2.046 23 L HA -0.273 4.067 4.340 -0.000 0.000 0.208 23 L C 2.601 179.492 176.870 0.035 0.000 1.077 23 L CA 1.557 56.400 54.840 0.006 0.000 0.747 23 L CB -0.876 41.183 42.059 -0.000 0.000 0.896 23 L HN 0.416 nan 8.230 nan 0.000 0.432 24 H N 0.334 119.392 119.070 -0.020 0.000 2.319 24 H HA -0.204 4.352 4.556 -0.000 0.000 0.299 24 H C 1.821 177.141 175.328 -0.013 0.000 1.092 24 H CA 2.090 58.130 56.048 -0.013 0.000 1.302 24 H CB 0.014 29.769 29.762 -0.012 0.000 1.373 24 H HN 0.216 nan 8.280 nan 0.000 0.497 25 D N -0.555 119.861 120.400 0.028 0.000 2.218 25 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 25 D C 1.872 178.130 176.300 -0.070 0.000 0.976 25 D CA 1.204 55.186 54.000 -0.030 0.000 0.853 25 D CB -0.207 40.611 40.800 0.030 0.000 0.939 25 D HN 0.337 nan 8.370 nan 0.000 0.481 26 S N -1.199 114.466 115.700 -0.058 0.000 2.562 26 S HA 0.244 4.714 4.470 -0.000 0.000 0.221 26 S C 1.597 176.155 174.600 -0.071 0.000 0.975 26 S CA 0.611 58.778 58.200 -0.055 0.000 0.918 26 S CB 0.701 63.875 63.200 -0.043 0.000 0.772 26 S HN 0.454 nan 8.310 nan 0.000 0.531 27 G N 0.874 109.606 108.800 -0.114 0.000 2.179 27 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 27 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 27 G C -0.020 174.832 174.900 -0.080 0.000 0.990 27 G CA -0.372 44.659 45.100 -0.116 0.000 0.646 27 G HN 0.408 nan 8.290 nan 0.000 0.517 28 L N 0.763 121.953 121.223 -0.055 0.000 2.418 28 L HA 0.408 4.748 4.340 -0.000 0.000 0.265 28 L C 0.151 177.028 176.870 0.012 0.000 1.143 28 L CA -0.983 53.850 54.840 -0.012 0.000 0.809 28 L CB 0.544 42.605 42.059 0.003 0.000 1.124 28 L HN 0.014 nan 8.230 nan 0.000 0.456 29 N N 2.049 120.770 118.700 0.034 0.000 2.406 29 N HA 0.265 5.005 4.740 -0.000 0.000 0.251 29 N C -0.651 174.901 175.510 0.070 0.000 1.069 29 N CA -0.111 52.975 53.050 0.060 0.000 0.947 29 N CB 1.521 40.039 38.487 0.052 0.000 1.111 29 N HN 0.355 nan 8.380 nan 0.000 0.497 30 V N 0.147 120.114 119.914 0.088 0.000 2.667 30 V HA 0.730 4.850 4.120 -0.000 0.000 0.308 30 V C -0.045 176.073 176.094 0.041 0.000 1.048 30 V CA -0.728 61.608 62.300 0.061 0.000 0.928 30 V CB 1.953 33.811 31.823 0.058 0.000 1.004 30 V HN 0.153 nan 8.190 nan 0.000 0.444 31 V N 3.691 123.610 119.914 0.008 0.000 2.656 31 V HA 0.543 4.663 4.120 -0.000 0.000 0.307 31 V C -0.342 175.699 176.094 -0.089 0.000 1.051 31 V CA -0.535 61.741 62.300 -0.039 0.000 0.893 31 V CB 2.092 33.882 31.823 -0.054 0.000 0.999 31 V HN 0.837 nan 8.190 nan 0.000 0.426 32 V N 6.084 125.937 119.914 -0.100 0.000 2.370 32 V HA 0.455 4.575 4.120 -0.000 0.000 0.283 32 V C -0.229 175.771 176.094 -0.156 0.000 1.023 32 V CA -0.444 61.793 62.300 -0.105 0.000 0.857 32 V CB 1.501 33.283 31.823 -0.068 0.000 0.985 32 V HN 0.613 nan 8.190 nan 0.000 0.443 33 L N 4.606 125.721 121.223 -0.181 0.000 2.262 33 L HA 0.591 4.930 4.340 -0.000 0.000 0.288 33 L C -0.150 176.640 176.870 -0.133 0.000 1.035 33 L CA -0.341 54.375 54.840 -0.207 0.000 0.820 33 L CB 1.356 43.250 42.059 -0.274 0.000 1.204 33 L HN 0.618 nan 8.230 nan 0.000 0.424 34 E N 2.374 122.502 120.200 -0.120 0.000 2.158 34 E HA 0.484 4.834 4.350 -0.000 0.000 0.271 34 E C 0.359 176.861 176.600 -0.163 0.000 0.911 34 E CA -0.311 56.022 56.400 -0.112 0.000 0.767 34 E CB 2.051 31.707 29.700 -0.073 0.000 1.120 34 E HN 0.549 nan 8.360 nan 0.000 0.405 35 A N 5.453 128.112 122.820 -0.269 0.000 1.902 35 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 35 A C 1.075 178.435 177.584 -0.373 0.000 1.181 35 A CA 1.036 52.776 52.037 -0.494 0.000 0.623 35 A CB -0.217 18.081 19.000 -1.171 0.000 0.818 35 A HN 0.615 nan 8.150 nan 0.000 0.443 36 R N -0.080 120.279 120.500 -0.235 0.000 2.580 36 R HA 0.232 4.572 4.340 -0.000 0.000 0.267 36 R C 0.192 176.459 176.300 -0.055 0.000 1.125 36 R CA 0.161 56.203 56.100 -0.097 0.000 1.188 36 R CB 0.139 30.421 30.300 -0.030 0.000 1.155 36 R HN 0.471 nan 8.270 nan 0.000 0.586 37 D N 0.373 120.758 120.400 -0.023 0.000 2.324 37 D HA -0.039 4.601 4.640 -0.000 0.000 0.235 37 D C -0.098 176.206 176.300 0.007 0.000 1.095 37 D CA 0.118 54.113 54.000 -0.008 0.000 0.871 37 D CB -0.047 40.754 40.800 0.001 0.000 0.906 37 D HN 0.435 nan 8.370 nan 0.000 0.522 38 R N -1.159 119.346 120.500 0.009 0.000 2.739 38 R HA 0.577 4.917 4.340 -0.000 0.000 0.271 38 R C -0.644 175.680 176.300 0.040 0.000 1.010 38 R CA -1.109 55.016 56.100 0.040 0.000 0.897 38 R CB 1.264 31.611 30.300 0.078 0.000 1.236 38 R HN -0.102 nan 8.270 nan 0.000 0.466 39 V N -1.322 118.623 119.914 0.053 0.000 3.262 39 V HA 0.856 4.976 4.120 -0.000 0.000 0.313 39 V C 0.951 177.104 176.094 0.098 0.000 1.070 39 V CA 0.435 62.767 62.300 0.052 0.000 1.049 39 V CB 0.788 32.626 31.823 0.026 0.000 1.157 39 V HN 1.192 nan 8.190 nan 0.000 0.454 40 G N -0.827 108.029 108.800 0.094 0.000 2.339 40 G HA2 0.131 4.091 3.960 -0.000 0.000 0.209 40 G HA3 0.131 4.091 3.960 -0.000 0.000 0.209 40 G C 1.623 176.616 174.900 0.155 0.000 1.015 40 G CA 0.766 45.942 45.100 0.128 0.000 0.635 40 G HN 2.605 nan 8.290 nan 0.000 0.499 41 G N 0.624 109.529 108.800 0.174 0.000 2.646 41 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.324 41 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.324 41 G C 0.987 176.058 174.900 0.286 0.000 1.195 41 G CA 1.544 46.767 45.100 0.204 0.000 0.976 41 G HN 1.185 nan 8.290 nan 0.000 0.546 42 R N 1.847 122.421 120.500 0.122 0.000 2.323 42 R HA 0.205 4.545 4.340 -0.000 0.000 0.198 42 R C 1.099 177.302 176.300 -0.162 0.000 0.988 42 R CA 1.075 57.066 56.100 -0.182 0.000 1.041 42 R CB -0.189 29.978 30.300 -0.221 0.000 0.926 42 R HN 0.710 nan 8.270 nan 0.000 0.476 43 T N -2.449 112.165 114.554 0.100 0.000 2.867 43 T HA 0.369 4.719 4.350 -0.000 0.000 0.282 43 T C -0.945 173.991 174.700 0.394 0.000 1.000 43 T CA -0.634 61.576 62.100 0.183 0.000 1.042 43 T CB 1.608 70.548 68.868 0.120 0.000 0.973 43 T HN 0.104 nan 8.240 nan 0.000 0.465 44 Y N 1.142 121.598 120.300 0.260 0.000 2.313 44 Y HA 0.425 4.975 4.550 -0.000 0.000 0.320 44 Y C -1.228 174.789 175.900 0.194 0.000 1.171 44 Y CA -0.797 57.452 58.100 0.249 0.000 1.093 44 Y CB 1.555 40.220 38.460 0.342 0.000 1.224 44 Y HN 0.892 nan 8.280 nan 0.000 0.421 45 T N 7.718 122.111 114.554 -0.269 0.000 2.756 45 T HA 0.423 4.773 4.350 -0.000 0.000 0.290 45 T C -0.910 173.476 174.700 -0.524 0.000 0.985 45 T CA -0.414 61.525 62.100 -0.269 0.000 0.955 45 T CB 0.678 69.496 68.868 -0.082 0.000 0.930 45 T HN 0.568 nan 8.240 nan 0.000 0.451 46 L N 4.379 125.317 121.223 -0.475 0.000 2.326 46 L HA 0.653 4.993 4.340 -0.000 0.000 0.278 46 L C -0.311 176.486 176.870 -0.122 0.000 1.092 46 L CA -0.148 54.482 54.840 -0.350 0.000 0.810 46 L CB 0.518 42.457 42.059 -0.200 0.000 1.153 46 L HN 0.437 nan 8.230 nan 0.000 0.439 47 R N 3.531 123.983 120.500 -0.080 0.000 2.494 47 R HA 0.655 4.995 4.340 -0.000 0.000 0.305 47 R C -1.044 175.232 176.300 -0.040 0.000 0.959 47 R CA -0.579 55.499 56.100 -0.037 0.000 0.864 47 R CB 1.345 31.635 30.300 -0.017 0.000 1.159 47 R HN 0.901 nan 8.270 nan 0.000 0.446 48 N N -1.202 117.458 118.700 -0.067 0.000 3.020 48 N HA 0.057 4.797 4.740 -0.000 0.000 0.248 48 N C -0.130 175.319 175.510 -0.101 0.000 1.480 48 N CA -0.881 52.126 53.050 -0.070 0.000 0.874 48 N CB 0.661 39.110 38.487 -0.064 0.000 1.433 48 N HN 0.240 nan 8.380 nan 0.000 0.530 49 Q N -0.448 119.301 119.800 -0.085 0.000 2.170 49 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 49 Q C 0.557 176.512 176.000 -0.075 0.000 0.976 49 Q CA 1.282 57.050 55.803 -0.058 0.000 0.858 49 Q CB 0.023 28.735 28.738 -0.043 0.000 0.907 49 Q HN 0.501 nan 8.270 nan 0.000 0.433 50 K N -0.062 120.195 120.400 -0.239 0.000 2.217 50 K HA -0.053 4.267 4.320 -0.000 0.000 0.202 50 K C 1.944 178.329 176.600 -0.358 0.000 1.051 50 K CA 1.149 57.186 56.287 -0.417 0.000 0.952 50 K CB 0.159 32.038 32.500 -1.035 0.000 0.736 50 K HN 0.273 nan 8.250 nan 0.000 0.453 51 V N -3.022 116.661 119.914 -0.386 0.000 3.604 51 V HA 0.230 4.350 4.120 -0.000 0.000 0.277 51 V C 1.409 177.103 176.094 -0.667 0.000 1.399 51 V CA 0.551 62.580 62.300 -0.452 0.000 1.034 51 V CB 0.240 31.824 31.823 -0.398 0.000 0.824 51 V HN 0.235 nan 8.190 nan 0.000 0.439 52 K N 0.693 120.770 120.400 -0.538 0.000 11.046 52 K HA -0.313 4.007 4.320 -0.000 0.000 0.528 52 K C 0.163 176.653 176.600 -0.184 0.000 0.384 52 K CA 2.630 58.649 56.287 -0.447 0.000 1.939 52 K CB -1.453 30.576 32.500 -0.786 0.000 0.775 52 K HN 0.948 nan 8.250 nan 0.000 1.232 53 Y N -1.883 118.261 120.300 -0.260 0.000 2.562 53 Y HA 0.739 5.289 4.550 -0.000 0.000 0.345 53 Y C -1.171 174.683 175.900 -0.076 0.000 1.045 53 Y CA -0.762 57.252 58.100 -0.144 0.000 1.028 53 Y CB 2.098 40.493 38.460 -0.108 0.000 1.297 53 Y HN 0.012 nan 8.280 nan 0.000 0.463 54 V N 2.296 122.271 119.914 0.102 0.000 2.817 54 V HA 0.359 4.479 4.120 -0.000 0.000 0.303 54 V C -1.598 174.561 176.094 0.108 0.000 1.151 54 V CA -0.640 61.725 62.300 0.107 0.000 0.929 54 V CB 1.922 33.827 31.823 0.138 0.000 1.030 54 V HN 0.926 nan 8.190 nan 0.000 0.427 55 D N 5.532 126.010 120.400 0.129 0.000 2.343 55 D HA 0.298 4.938 4.640 -0.000 0.000 0.255 55 D C 0.783 177.171 176.300 0.147 0.000 1.187 55 D CA 0.277 54.341 54.000 0.106 0.000 0.875 55 D CB 1.851 42.685 40.800 0.058 0.000 1.136 55 D HN 0.529 nan 8.370 nan 0.000 0.469 56 L N 1.482 122.849 121.223 0.239 0.000 2.590 56 L HA 0.238 4.578 4.340 -0.000 0.000 0.227 56 L C 1.495 178.761 176.870 0.660 0.000 1.099 56 L CA -0.003 55.075 54.840 0.397 0.000 0.872 56 L CB 0.456 42.764 42.059 0.416 0.000 1.088 56 L HN 0.344 nan 8.230 nan 0.000 0.479 57 G N -0.709 108.398 108.800 0.513 0.000 3.247 57 G HA2 0.422 4.382 3.960 -0.000 0.000 0.163 57 G HA3 0.422 4.382 3.960 -0.000 0.000 0.163 57 G C -0.127 174.800 174.900 0.044 0.000 1.206 57 G CA -0.041 45.184 45.100 0.209 0.000 0.918 57 G HN 0.075 nan 8.290 nan 0.000 0.625 58 G N -0.721 108.038 108.800 -0.068 0.000 2.321 58 G HA2 0.364 4.324 3.960 -0.000 0.000 0.237 58 G HA3 0.364 4.324 3.960 -0.000 0.000 0.237 58 G C 0.538 175.418 174.900 -0.033 0.000 1.282 58 G CA 0.936 45.999 45.100 -0.062 0.000 0.886 58 G HN 0.847 nan 8.290 nan 0.000 0.528 59 S N 1.225 116.850 115.700 -0.126 0.000 3.330 59 S HA 0.184 4.654 4.470 -0.000 0.000 0.259 59 S C 0.097 174.458 174.600 -0.398 0.000 1.095 59 S CA -0.334 57.692 58.200 -0.290 0.000 0.841 59 S CB -0.012 62.867 63.200 -0.536 0.000 0.890 59 S HN 0.488 nan 8.310 nan 0.000 0.446 60 Y N 2.921 123.189 120.300 -0.053 0.000 2.319 60 Y HA 0.516 5.066 4.550 -0.000 0.000 0.328 60 Y C 0.312 176.095 175.900 -0.194 0.000 1.133 60 Y CA -0.302 57.722 58.100 -0.127 0.000 1.265 60 Y CB 1.150 39.581 38.460 -0.049 0.000 1.218 60 Y HN 0.139 nan 8.280 nan 0.000 0.508 61 V N -0.094 119.706 119.914 -0.191 0.000 3.102 61 V HA 1.105 5.225 4.120 -0.000 0.000 0.312 61 V C -0.302 175.601 176.094 -0.318 0.000 1.135 61 V CA -0.501 61.605 62.300 -0.323 0.000 1.022 61 V CB 1.730 33.277 31.823 -0.460 0.000 1.056 61 V HN 0.941 nan 8.190 nan 0.000 0.436 62 G N 0.287 108.855 108.800 -0.387 0.000 2.548 62 G HA2 0.694 4.654 3.960 -0.000 0.000 0.301 62 G HA3 0.694 4.654 3.960 -0.000 0.000 0.301 62 G C -3.463 171.271 174.900 -0.277 0.000 1.349 62 G CA -1.014 43.910 45.100 -0.294 0.000 0.792 62 G HN 0.724 nan 8.290 nan 0.000 0.481 63 P HA 0.121 nan 4.420 nan 0.000 0.265 63 P C 0.808 178.085 177.300 -0.037 0.000 1.187 63 P CA 2.018 65.072 63.100 -0.078 0.000 0.766 63 P CB 0.851 32.533 31.700 -0.029 0.000 0.820 64 T N -1.419 113.148 114.554 0.022 0.000 6.424 64 T HA -0.249 4.101 4.350 -0.000 0.000 0.279 64 T C 0.247 175.001 174.700 0.091 0.000 2.176 64 T CA 0.975 63.176 62.100 0.168 0.000 3.628 64 T CB -2.685 66.411 68.868 0.381 0.000 1.165 64 T HN 0.583 nan 8.240 nan 0.000 1.080 65 Q N 1.359 121.012 119.800 -0.245 0.000 3.150 65 Q HA 0.377 4.717 4.340 -0.000 0.000 0.297 65 Q C 0.905 176.820 176.000 -0.143 0.000 1.382 65 Q CA -0.474 55.089 55.803 -0.399 0.000 1.059 65 Q CB 0.208 28.511 28.738 -0.725 0.000 1.559 65 Q HN 0.494 nan 8.270 nan 0.000 0.548 66 N N 0.853 119.546 118.700 -0.012 0.000 2.331 66 N HA -0.070 4.670 4.740 -0.000 0.000 0.180 66 N C 1.241 176.769 175.510 0.031 0.000 1.019 66 N CA 0.803 53.865 53.050 0.020 0.000 0.881 66 N CB 0.267 38.786 38.487 0.054 0.000 0.972 66 N HN 0.387 nan 8.380 nan 0.000 0.435 67 R N 0.540 121.066 120.500 0.042 0.000 2.057 67 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 67 R C 2.056 178.380 176.300 0.040 0.000 1.136 67 R CA 0.719 56.848 56.100 0.050 0.000 0.952 67 R CB -0.412 29.932 30.300 0.073 0.000 0.848 67 R HN 0.083 nan 8.270 nan 0.000 0.430 68 I N 1.364 121.955 120.570 0.034 0.000 2.286 68 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 68 I C 1.851 178.043 176.117 0.125 0.000 1.115 68 I CA 1.409 62.753 61.300 0.072 0.000 1.392 68 I CB -0.097 37.958 38.000 0.093 0.000 1.065 68 I HN 0.110 nan 8.210 nan 0.000 0.418 69 L N 0.094 121.374 121.223 0.096 0.000 2.056 69 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 69 L C 2.743 179.663 176.870 0.083 0.000 1.078 69 L CA 1.288 56.200 54.840 0.120 0.000 0.749 69 L CB -0.824 41.258 42.059 0.039 0.000 0.901 69 L HN 0.262 nan 8.230 nan 0.000 0.433 70 R N 0.707 121.236 120.500 0.048 0.000 2.066 70 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 70 R C 2.299 178.609 176.300 0.015 0.000 1.131 70 R CA 1.550 57.668 56.100 0.031 0.000 0.955 70 R CB -0.607 29.709 30.300 0.028 0.000 0.851 70 R HN 0.236 nan 8.270 nan 0.000 0.432 71 L N 1.263 122.492 121.223 0.009 0.000 2.012 71 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 71 L C 2.436 179.271 176.870 -0.059 0.000 1.073 71 L CA 2.359 57.188 54.840 -0.019 0.000 0.748 71 L CB -0.916 41.131 42.059 -0.019 0.000 0.891 71 L HN 0.249 nan 8.230 nan 0.000 0.431 72 A N -0.682 122.088 122.820 -0.084 0.000 1.902 72 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 72 A C 2.469 179.995 177.584 -0.096 0.000 1.181 72 A CA 2.034 53.950 52.037 -0.200 0.000 0.623 72 A CB -0.666 18.104 19.000 -0.383 0.000 0.818 72 A HN 0.518 nan 8.150 nan 0.000 0.443 73 K N -0.327 120.067 120.400 -0.010 0.000 2.057 73 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 73 K C 2.086 178.679 176.600 -0.012 0.000 1.049 73 K CA 1.734 58.026 56.287 0.008 0.000 0.931 73 K CB -0.189 32.328 32.500 0.030 0.000 0.714 73 K HN 0.629 nan 8.250 nan 0.000 0.440 74 E N 0.456 120.646 120.200 -0.017 0.000 2.118 74 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 74 E C 1.662 178.243 176.600 -0.031 0.000 0.992 74 E CA 0.962 57.351 56.400 -0.018 0.000 0.804 74 E CB 0.013 29.705 29.700 -0.013 0.000 0.741 74 E HN 0.353 nan 8.360 nan 0.000 0.458 75 L N -0.669 120.521 121.223 -0.054 0.000 2.599 75 L HA 0.144 4.484 4.340 -0.000 0.000 0.230 75 L C 1.350 178.180 176.870 -0.068 0.000 1.141 75 L CA 0.473 55.272 54.840 -0.069 0.000 0.877 75 L CB 0.189 42.186 42.059 -0.104 0.000 1.009 75 L HN 0.397 nan 8.230 nan 0.000 0.447 76 G N 0.103 108.872 108.800 -0.052 0.000 2.131 76 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.223 76 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.223 76 G C 0.075 174.949 174.900 -0.042 0.000 0.990 76 G CA -0.360 44.717 45.100 -0.038 0.000 0.671 76 G HN 0.189 nan 8.290 nan 0.000 0.521 77 L N -0.164 121.022 121.223 -0.062 0.000 2.399 77 L HA 0.751 5.091 4.340 -0.000 0.000 0.265 77 L C 0.601 177.505 176.870 0.057 0.000 1.089 77 L CA -0.738 54.073 54.840 -0.049 0.000 0.802 77 L CB 1.118 43.054 42.059 -0.204 0.000 1.180 77 L HN 0.201 nan 8.230 nan 0.000 0.454 78 E N -0.233 120.043 120.200 0.128 0.000 2.336 78 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 78 E C -1.002 175.753 176.600 0.257 0.000 0.906 78 E CA -0.739 55.760 56.400 0.164 0.000 0.781 78 E CB 2.441 32.208 29.700 0.112 0.000 1.261 78 E HN 0.660 nan 8.360 nan 0.000 0.436 79 T N -1.415 113.237 114.554 0.163 0.000 2.952 79 T HA 0.628 4.978 4.350 -0.000 0.000 0.286 79 T C -0.736 174.039 174.700 0.125 0.000 1.024 79 T CA -0.696 61.432 62.100 0.046 0.000 1.029 79 T CB 0.683 69.456 68.868 -0.158 0.000 1.094 79 T HN 0.532 nan 8.240 nan 0.000 0.515 80 Y N -1.434 118.861 120.300 -0.009 0.000 2.609 80 Y HA 0.740 5.290 4.550 0.000 0.000 0.342 80 Y C -0.750 175.150 175.900 -0.000 0.000 1.058 80 Y CA -1.558 56.550 58.100 0.012 0.000 1.055 80 Y CB 1.400 39.889 38.460 0.047 0.000 1.292 80 Y HN 0.622 nan 8.280 nan 0.000 0.476 81 K N 2.152 122.605 120.400 0.089 0.000 2.234 81 K HA 0.442 4.762 4.320 -0.000 0.000 0.282 81 K C -0.844 175.784 176.600 0.047 0.000 1.039 81 K CA -0.768 55.514 56.287 -0.008 0.000 0.928 81 K CB 1.631 34.156 32.500 0.043 0.000 1.039 81 K HN 0.578 nan 8.250 nan 0.000 0.470 82 V N 3.216 123.099 119.914 -0.052 0.000 2.673 82 V HA -0.102 4.018 4.120 -0.000 0.000 0.303 82 V C 0.529 176.669 176.094 0.077 0.000 1.046 82 V CA -0.181 62.148 62.300 0.048 0.000 1.126 82 V CB 0.428 32.272 31.823 0.035 0.000 0.934 82 V HN 0.727 nan 8.190 nan 0.000 0.487 83 N N 3.742 122.513 118.700 0.118 0.000 2.438 83 N HA 0.035 4.775 4.740 -0.000 0.000 0.267 83 N C 0.208 175.743 175.510 0.042 0.000 1.222 83 N CA 0.439 53.546 53.050 0.095 0.000 0.930 83 N CB 0.295 38.863 38.487 0.136 0.000 1.083 83 N HN 0.814 nan 8.380 nan 0.000 0.476 84 E N 3.028 123.241 120.200 0.022 0.000 3.191 84 E HA 0.118 4.468 4.350 -0.000 0.000 0.192 84 E C 0.277 176.875 176.600 -0.003 0.000 0.972 84 E CA -0.070 56.324 56.400 -0.009 0.000 1.266 84 E CB 0.269 29.949 29.700 -0.033 0.000 1.076 84 E HN 0.448 nan 8.360 nan 0.000 0.462 85 V N 0.456 120.380 119.914 0.018 0.000 2.323 85 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 85 V C 0.951 177.052 176.094 0.012 0.000 1.041 85 V CA 1.564 63.873 62.300 0.015 0.000 1.025 85 V CB -0.113 31.721 31.823 0.020 0.000 0.656 85 V HN 0.256 nan 8.190 nan 0.000 0.451 86 E N -0.677 119.537 120.200 0.024 0.000 3.099 86 E HA 0.398 4.748 4.350 -0.000 0.000 0.259 86 E C 0.202 176.814 176.600 0.020 0.000 1.274 86 E CA -0.641 55.778 56.400 0.031 0.000 1.111 86 E CB 0.254 29.988 29.700 0.057 0.000 1.327 86 E HN 0.301 nan 8.360 nan 0.000 0.652 87 R N 0.189 120.723 120.500 0.058 0.000 2.539 87 R HA 0.290 4.630 4.340 -0.000 0.000 0.275 87 R C -0.488 175.770 176.300 -0.071 0.000 1.077 87 R CA -0.573 55.535 56.100 0.014 0.000 1.097 87 R CB 0.127 30.501 30.300 0.122 0.000 1.018 87 R HN 0.172 nan 8.270 nan 0.000 0.483 88 L N 2.432 123.441 121.223 -0.357 0.000 2.456 88 L HA 0.378 4.718 4.340 -0.000 0.000 0.257 88 L C 0.208 176.856 176.870 -0.370 0.000 1.162 88 L CA 0.172 54.697 54.840 -0.525 0.000 0.808 88 L CB 0.457 41.880 42.059 -1.059 0.000 1.136 88 L HN 0.459 nan 8.230 nan 0.000 0.466 89 I N 0.228 120.722 120.570 -0.127 0.000 2.465 89 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 89 I C -0.612 175.803 176.117 0.497 0.000 1.014 89 I CA -0.474 60.908 61.300 0.137 0.000 1.093 89 I CB 1.537 39.470 38.000 -0.110 0.000 1.267 89 I HN 0.544 nan 8.210 nan 0.000 0.431 90 H N 5.263 124.662 119.070 0.548 0.000 2.541 90 H HA 0.304 4.860 4.556 -0.000 0.000 0.316 90 H C -1.213 174.355 175.328 0.401 0.000 1.043 90 H CA -0.748 55.560 56.048 0.433 0.000 1.232 90 H CB 0.879 30.803 29.762 0.271 0.000 1.406 90 H HN 0.600 nan 8.280 nan 0.000 0.469 91 H N 4.746 123.973 119.070 0.261 0.000 2.597 91 H HA 0.353 4.909 4.556 -0.000 0.000 0.303 91 H C -1.308 174.040 175.328 0.034 0.000 1.057 91 H CA -0.397 55.729 56.048 0.129 0.000 1.261 91 H CB 0.416 30.245 29.762 0.113 0.000 1.397 91 H HN 0.267 nan 8.280 nan 0.000 0.461 92 V N 6.042 125.848 119.914 -0.180 0.000 2.588 92 V HA 0.175 4.295 4.120 -0.000 0.000 0.304 92 V C -0.034 176.006 176.094 -0.090 0.000 1.042 92 V CA -1.279 60.933 62.300 -0.146 0.000 0.877 92 V CB 1.759 33.431 31.823 -0.253 0.000 0.996 92 V HN 0.937 nan 8.190 nan 0.000 0.425 93 K N 3.472 123.845 120.400 -0.045 0.000 3.311 93 K HA -0.258 4.062 4.320 -0.000 0.000 0.270 93 K C 1.090 177.653 176.600 -0.061 0.000 0.927 93 K CA 0.794 57.071 56.287 -0.016 0.000 0.706 93 K CB -1.327 31.180 32.500 0.011 0.000 1.418 93 K HN 1.677 nan 8.250 nan 0.000 0.459 94 G N -0.197 108.519 108.800 -0.139 0.000 2.162 94 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 94 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 94 G C -0.178 174.549 174.900 -0.288 0.000 0.976 94 G CA 0.970 46.016 45.100 -0.091 0.000 0.655 94 G HN 0.414 nan 8.290 nan 0.000 0.533 95 K N 0.039 120.089 120.400 -0.583 0.000 2.422 95 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 95 K C -0.652 175.573 176.600 -0.625 0.000 0.933 95 K CA -0.649 55.349 56.287 -0.482 0.000 0.798 95 K CB 2.040 34.317 32.500 -0.372 0.000 1.238 95 K HN 0.058 nan 8.250 nan 0.000 0.428 96 S N 1.690 117.180 115.700 -0.351 0.000 2.499 96 S HA 0.349 4.819 4.470 -0.000 0.000 0.279 96 S C -1.156 173.234 174.600 -0.349 0.000 1.219 96 S CA -0.481 57.648 58.200 -0.119 0.000 1.062 96 S CB 0.116 63.351 63.200 0.058 0.000 0.978 96 S HN 0.352 nan 8.310 nan 0.000 0.489 97 Y N 2.911 123.295 120.300 0.140 0.000 2.447 97 Y HA 0.350 4.900 4.550 0.000 0.000 0.325 97 Y C -2.436 173.661 175.900 0.328 0.000 0.976 97 Y CA -2.430 55.790 58.100 0.199 0.000 1.280 97 Y CB 0.761 39.325 38.460 0.174 0.000 1.104 97 Y HN 0.463 nan 8.280 nan 0.000 0.486 98 P HA 0.224 nan 4.420 nan 0.000 0.271 98 P C -0.838 176.755 177.300 0.488 0.000 1.218 98 P CA 0.001 63.324 63.100 0.372 0.000 0.780 98 P CB 0.607 32.516 31.700 0.348 0.000 0.901 99 F N -1.080 118.996 119.950 0.211 0.000 2.741 99 F HA 0.710 5.237 4.527 0.000 0.000 0.313 99 F C -1.083 174.800 175.800 0.138 0.000 1.153 99 F CA -1.307 56.805 58.000 0.187 0.000 0.931 99 F CB 1.457 40.574 39.000 0.195 0.000 1.335 99 F HN 0.052 nan 8.300 nan 0.000 0.460 100 R N 0.809 121.443 120.500 0.222 0.000 2.854 100 R HA 0.787 5.126 4.340 -0.000 0.000 0.271 100 R C -0.473 175.964 176.300 0.229 0.000 0.994 100 R CA -0.827 55.321 56.100 0.080 0.000 0.945 100 R CB 1.816 32.164 30.300 0.080 0.000 1.194 100 R HN 1.491 nan 8.270 nan 0.000 0.476 101 G N 1.422 110.296 108.800 0.123 0.000 2.707 101 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 101 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 101 G C -2.110 172.898 174.900 0.179 0.000 1.315 101 G CA -0.782 44.407 45.100 0.148 0.000 0.832 101 G HN 0.451 nan 8.290 nan 0.000 0.573 102 P HA 0.118 nan 4.420 nan 0.000 0.218 102 P C 0.640 177.804 177.300 -0.225 0.000 1.152 102 P CA 0.942 63.957 63.100 -0.142 0.000 0.826 102 P CB 0.118 31.579 31.700 -0.398 0.000 0.790 103 F N 1.613 121.499 119.950 -0.108 0.000 2.404 103 F HA 0.365 4.892 4.527 0.000 0.000 0.345 103 F C -1.892 173.715 175.800 -0.322 0.000 1.110 103 F CA -2.802 55.023 58.000 -0.291 0.000 1.130 103 F CB 0.076 38.807 39.000 -0.448 0.000 1.129 103 F HN -0.211 nan 8.300 nan 0.000 0.500 104 P HA 0.109 nan 4.420 nan 0.000 0.271 104 P C -2.430 174.627 177.300 -0.405 0.000 1.233 104 P CA -0.939 61.594 63.100 -0.944 0.000 0.764 104 P CB -0.049 31.139 31.700 -0.853 0.000 0.825 105 P HA 0.202 nan 4.420 nan 0.000 0.279 105 P C -0.835 176.344 177.300 -0.200 0.000 1.252 105 P CA -0.291 62.684 63.100 -0.208 0.000 0.811 105 P CB 0.956 32.568 31.700 -0.147 0.000 1.035 106 V N -2.506 117.254 119.914 -0.257 0.000 2.962 106 V HA 0.487 4.607 4.120 -0.000 0.000 0.313 106 V C -0.175 175.793 176.094 -0.211 0.000 1.099 106 V CA -0.648 61.534 62.300 -0.197 0.000 0.971 106 V CB 2.087 33.703 31.823 -0.346 0.000 1.028 106 V HN 0.598 nan 8.190 nan 0.000 0.430 107 W N -0.291 120.985 121.300 -0.041 0.000 2.792 107 W HA 0.343 5.003 4.660 -0.000 0.000 0.262 107 W C 1.261 177.774 176.519 -0.010 0.000 1.212 107 W CA 0.158 57.491 57.345 -0.020 0.000 1.433 107 W CB 0.278 29.720 29.460 -0.030 0.000 1.004 107 W HN 0.710 nan 8.180 nan 0.000 0.608 108 N N 2.305 121.119 118.700 0.190 0.000 2.454 108 N HA -0.037 4.703 4.740 -0.000 0.000 0.260 108 N C -1.759 173.818 175.510 0.112 0.000 1.218 108 N CA -0.408 52.717 53.050 0.126 0.000 0.904 108 N CB 1.585 40.129 38.487 0.094 0.000 1.065 108 N HN -0.143 nan 8.380 nan 0.000 0.462 109 P HA -0.081 nan 4.420 nan 0.000 0.216 109 P C 1.514 178.881 177.300 0.112 0.000 1.153 109 P CA 0.718 63.863 63.100 0.076 0.000 0.848 109 P CB 0.337 32.060 31.700 0.040 0.000 0.787 110 I N -0.669 119.955 120.570 0.090 0.000 2.252 110 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 110 I C 1.949 178.134 176.117 0.113 0.000 1.102 110 I CA 1.803 63.153 61.300 0.083 0.000 1.385 110 I CB -2.050 35.993 38.000 0.071 0.000 1.064 110 I HN 0.012 nan 8.210 nan 0.000 0.414 111 T N 0.378 115.009 114.554 0.128 0.000 2.788 111 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 111 T C 1.885 176.686 174.700 0.169 0.000 1.044 111 T CA 1.366 63.564 62.100 0.163 0.000 1.139 111 T CB -0.614 68.325 68.868 0.119 0.000 0.867 111 T HN 0.294 nan 8.240 nan 0.000 0.454 112 Y N 1.898 122.199 120.300 0.001 0.000 2.128 112 Y HA -0.129 4.421 4.550 -0.000 0.000 0.284 112 Y C 2.038 177.952 175.900 0.022 0.000 1.154 112 Y CA 1.205 59.283 58.100 -0.036 0.000 1.149 112 Y CB -0.515 37.891 38.460 -0.091 0.000 0.976 112 Y HN 0.108 nan 8.280 nan 0.000 0.505 113 L N -0.211 121.106 121.223 0.156 0.000 2.042 113 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 113 L C 2.172 179.033 176.870 -0.014 0.000 1.076 113 L CA 1.789 56.662 54.840 0.054 0.000 0.749 113 L CB -0.639 41.455 42.059 0.057 0.000 0.893 113 L HN 0.241 nan 8.230 nan 0.000 0.432 114 D N -0.942 119.484 120.400 0.044 0.000 2.097 114 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 114 D C 2.190 178.511 176.300 0.034 0.000 0.984 114 D CA 1.212 55.244 54.000 0.054 0.000 0.826 114 D CB 0.052 40.916 40.800 0.107 0.000 0.973 114 D HN 0.293 nan 8.370 nan 0.000 0.460 115 H N -0.545 118.486 119.070 -0.065 0.000 2.293 115 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 115 H C 2.001 177.315 175.328 -0.023 0.000 1.082 115 H CA 1.472 57.499 56.048 -0.035 0.000 1.308 115 H CB -0.182 29.560 29.762 -0.033 0.000 1.375 115 H HN 0.177 nan 8.280 nan 0.000 0.495 116 N N 1.001 119.637 118.700 -0.108 0.000 2.069 116 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 116 N C 1.754 177.200 175.510 -0.107 0.000 1.031 116 N CA 1.422 54.345 53.050 -0.211 0.000 0.852 116 N CB -0.317 37.924 38.487 -0.411 0.000 1.018 116 N HN 0.288 nan 8.380 nan 0.000 0.423 117 N N -0.987 117.664 118.700 -0.081 0.000 2.188 117 N HA -0.187 4.553 4.740 -0.000 0.000 0.184 117 N C 1.705 177.174 175.510 -0.068 0.000 1.018 117 N CA 0.878 53.886 53.050 -0.071 0.000 0.858 117 N CB -0.250 38.208 38.487 -0.048 0.000 0.989 117 N HN 0.312 nan 8.380 nan 0.000 0.426 118 F N 0.760 120.591 119.950 -0.198 0.000 2.046 118 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 118 F C 1.764 177.397 175.800 -0.278 0.000 1.123 118 F CA 1.645 59.462 58.000 -0.306 0.000 1.199 118 F CB -0.989 37.691 39.000 -0.533 0.000 0.972 118 F HN 0.055 nan 8.300 nan 0.000 0.474 119 W N 0.689 121.668 121.300 -0.535 0.000 2.358 119 W HA -0.106 4.554 4.660 -0.000 0.000 0.303 119 W C 2.860 179.100 176.519 -0.465 0.000 1.208 119 W CA 1.564 58.534 57.345 -0.625 0.000 1.274 119 W CB -0.670 28.543 29.460 -0.411 0.000 1.138 119 W HN -0.044 nan 8.180 nan 0.000 0.515 120 R N 0.109 120.528 120.500 -0.135 0.000 2.083 120 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 120 R C 1.940 178.137 176.300 -0.171 0.000 1.137 120 R CA 2.251 58.259 56.100 -0.154 0.000 0.951 120 R CB -0.694 29.514 30.300 -0.154 0.000 0.851 120 R HN 0.042 nan 8.270 nan 0.000 0.434 121 T N 1.262 115.694 114.554 -0.203 0.000 2.821 121 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 121 T C 1.825 176.388 174.700 -0.227 0.000 1.046 121 T CA 1.330 63.319 62.100 -0.186 0.000 1.139 121 T CB -0.051 68.727 68.868 -0.150 0.000 0.871 121 T HN 0.171 nan 8.240 nan 0.000 0.454 122 M N 1.657 121.061 119.600 -0.326 0.000 2.082 122 M HA -0.119 4.361 4.480 -0.000 0.000 0.258 122 M C 1.842 178.042 176.300 -0.166 0.000 1.069 122 M CA 1.564 56.709 55.300 -0.259 0.000 1.102 122 M CB -1.114 31.311 32.600 -0.292 0.000 1.336 122 M HN 0.185 nan 8.290 nan 0.000 0.404 123 D N 0.389 120.702 120.400 -0.144 0.000 2.149 123 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 123 D C 1.618 177.861 176.300 -0.096 0.000 0.972 123 D CA 0.981 54.915 54.000 -0.111 0.000 0.835 123 D CB -0.310 40.431 40.800 -0.098 0.000 0.966 123 D HN 0.283 nan 8.370 nan 0.000 0.476 124 D N 0.423 120.763 120.400 -0.099 0.000 2.092 124 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 124 D C 2.212 178.502 176.300 -0.017 0.000 0.994 124 D CA 0.879 54.842 54.000 -0.061 0.000 0.828 124 D CB -0.268 40.494 40.800 -0.064 0.000 0.963 124 D HN 0.242 nan 8.370 nan 0.000 0.450 125 M N 0.127 119.688 119.600 -0.065 0.000 2.117 125 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 125 M C 2.363 178.700 176.300 0.063 0.000 1.065 125 M CA 1.666 56.933 55.300 -0.055 0.000 1.114 125 M CB -0.505 31.799 32.600 -0.492 0.000 1.361 125 M HN 0.036 nan 8.290 nan 0.000 0.408 126 G N 0.267 109.048 108.800 -0.032 0.000 2.450 126 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 126 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 126 G C 1.622 176.524 174.900 0.004 0.000 1.130 126 G CA 0.627 45.715 45.100 -0.020 0.000 0.760 126 G HN 0.412 nan 8.290 nan 0.000 0.557 127 R N 0.108 120.607 120.500 -0.002 0.000 2.241 127 R HA -0.007 4.333 4.340 -0.000 0.000 0.224 127 R C 1.607 177.916 176.300 0.016 0.000 1.101 127 R CA 0.855 56.948 56.100 -0.012 0.000 0.995 127 R CB 0.053 30.339 30.300 -0.023 0.000 0.870 127 R HN 0.273 nan 8.270 nan 0.000 0.463 128 E N 0.221 120.472 120.200 0.085 0.000 2.479 128 E HA 0.102 4.452 4.350 -0.000 0.000 0.193 128 E C 0.032 176.665 176.600 0.055 0.000 1.049 128 E CA 0.312 56.756 56.400 0.072 0.000 0.870 128 E CB 0.436 30.207 29.700 0.119 0.000 0.944 128 E HN 0.319 nan 8.360 nan 0.000 0.492 129 I N 2.657 123.274 120.570 0.078 0.000 2.354 129 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 129 I C -2.436 173.684 176.117 0.007 0.000 1.007 129 I CA -2.385 58.957 61.300 0.071 0.000 1.167 129 I CB 1.559 39.667 38.000 0.181 0.000 1.320 129 I HN -0.342 nan 8.210 nan 0.000 0.458 130 P HA 0.124 nan 4.420 nan 0.000 0.267 130 P C 0.508 177.776 177.300 -0.052 0.000 1.205 130 P CA 0.152 63.183 63.100 -0.115 0.000 0.765 130 P CB 0.935 32.511 31.700 -0.208 0.000 0.828 131 S N 2.090 117.777 115.700 -0.022 0.000 2.383 131 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 131 S C 1.251 175.950 174.600 0.165 0.000 1.030 131 S CA 1.813 60.080 58.200 0.112 0.000 1.002 131 S CB -0.587 62.585 63.200 -0.047 0.000 0.829 131 S HN 0.676 nan 8.310 nan 0.000 0.467 132 D N 0.371 120.716 120.400 -0.092 0.000 2.339 132 D HA 0.286 4.926 4.640 -0.000 0.000 0.217 132 D C 0.258 176.325 176.300 -0.389 0.000 1.050 132 D CA 0.321 54.218 54.000 -0.171 0.000 0.856 132 D CB 0.084 40.720 40.800 -0.274 0.000 0.922 132 D HN 0.269 nan 8.370 nan 0.000 0.518 133 A N 1.090 123.512 122.820 -0.665 0.000 3.208 133 A HA 0.335 4.655 4.320 -0.000 0.000 0.252 133 A C -2.168 174.625 177.584 -1.319 0.000 1.225 133 A CA -0.743 50.405 52.037 -1.481 0.000 0.980 133 A CB 0.750 19.186 19.000 -0.941 0.000 1.414 133 A HN -0.103 nan 8.150 nan 0.000 0.721 134 P HA -0.188 nan 4.420 nan 0.000 0.218 134 P C 1.278 178.379 177.300 -0.332 0.000 1.148 134 P CA 1.640 64.431 63.100 -0.515 0.000 0.822 134 P CB -0.360 31.010 31.700 -0.550 0.000 0.784 135 W N 0.866 122.094 121.300 -0.121 0.000 2.632 135 W HA 0.088 4.747 4.660 -0.000 0.000 0.248 135 W C 1.292 177.767 176.519 -0.073 0.000 1.259 135 W CA 0.407 57.701 57.345 -0.085 0.000 1.288 135 W CB -1.456 27.949 29.460 -0.092 0.000 1.136 135 W HN -0.089 nan 8.180 nan 0.000 0.640 136 K N 0.785 121.007 120.400 -0.297 0.000 2.404 136 K HA 0.322 4.642 4.320 -0.000 0.000 0.194 136 K C 1.010 177.522 176.600 -0.146 0.000 1.023 136 K CA 0.152 56.339 56.287 -0.166 0.000 1.094 136 K CB 0.013 32.375 32.500 -0.230 0.000 0.841 136 K HN 0.095 nan 8.250 nan 0.000 0.523 137 A N 2.370 125.101 122.820 -0.148 0.000 2.531 137 A HA 0.069 4.389 4.320 -0.000 0.000 0.236 137 A C -1.617 175.841 177.584 -0.211 0.000 1.062 137 A CA -0.946 50.998 52.037 -0.156 0.000 0.760 137 A CB 0.067 18.994 19.000 -0.121 0.000 0.995 137 A HN -0.007 nan 8.150 nan 0.000 0.501 138 P HA -0.123 nan 4.420 nan 0.000 0.216 138 P C 0.500 177.608 177.300 -0.320 0.000 1.150 138 P CA 1.234 64.197 63.100 -0.229 0.000 0.843 138 P CB 0.050 31.630 31.700 -0.200 0.000 0.787 139 L N -2.197 118.676 121.223 -0.583 0.000 2.984 139 L HA 0.357 4.697 4.340 -0.000 0.000 0.246 139 L C 1.840 178.316 176.870 -0.656 0.000 1.268 139 L CA -0.306 54.091 54.840 -0.737 0.000 1.054 139 L CB -0.459 40.875 42.059 -1.209 0.000 1.393 139 L HN -0.106 nan 8.230 nan 0.000 0.532 140 A N 0.553 123.168 122.820 -0.341 0.000 1.892 140 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 140 A C 2.185 179.766 177.584 -0.006 0.000 1.188 140 A CA 1.785 53.758 52.037 -0.106 0.000 0.631 140 A CB -0.160 18.829 19.000 -0.018 0.000 0.822 140 A HN 0.513 nan 8.150 nan 0.000 0.447 141 E N -0.936 119.245 120.200 -0.032 0.000 2.047 141 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 141 E C 2.131 178.762 176.600 0.052 0.000 0.987 141 E CA 1.178 57.592 56.400 0.022 0.000 0.799 141 E CB -0.243 29.457 29.700 0.001 0.000 0.752 141 E HN 0.837 nan 8.360 nan 0.000 0.449 142 E N 0.188 120.387 120.200 -0.002 0.000 2.058 142 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 142 E C 1.722 178.482 176.600 0.265 0.000 0.997 142 E CA 1.285 57.730 56.400 0.075 0.000 0.801 142 E CB -0.007 29.692 29.700 -0.001 0.000 0.746 142 E HN 0.282 nan 8.360 nan 0.000 0.450 143 W N 0.849 122.191 121.300 0.070 0.000 2.476 143 W HA 0.001 4.661 4.660 -0.000 0.000 0.281 143 W C 1.906 178.495 176.519 0.116 0.000 1.230 143 W CA 0.598 57.997 57.345 0.090 0.000 1.287 143 W CB -0.938 28.577 29.460 0.091 0.000 1.108 143 W HN 0.220 nan 8.180 nan 0.000 0.567 144 D N -0.201 120.395 120.400 0.327 0.000 2.269 144 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 144 D C 1.240 177.665 176.300 0.210 0.000 0.963 144 D CA 0.946 55.104 54.000 0.263 0.000 0.864 144 D CB -0.197 40.731 40.800 0.214 0.000 0.936 144 D HN -0.109 nan 8.370 nan 0.000 0.505 145 N N -0.544 118.264 118.700 0.181 0.000 2.322 145 N HA 0.113 4.853 4.740 -0.000 0.000 0.194 145 N C -0.213 175.376 175.510 0.131 0.000 1.126 145 N CA 0.162 53.294 53.050 0.137 0.000 0.845 145 N CB 0.288 38.838 38.487 0.106 0.000 0.976 145 N HN 0.304 nan 8.380 nan 0.000 0.475 146 M N -0.008 119.686 119.600 0.158 0.000 2.456 146 M HA 0.218 4.698 4.480 -0.000 0.000 0.324 146 M C 0.141 176.517 176.300 0.127 0.000 1.124 146 M CA -0.620 54.757 55.300 0.128 0.000 0.959 146 M CB 2.101 34.784 32.600 0.138 0.000 1.692 146 M HN -0.025 nan 8.290 nan 0.000 0.444 147 T N -0.512 114.097 114.554 0.091 0.000 2.816 147 T HA 0.247 4.597 4.350 -0.000 0.000 0.282 147 T C 1.150 175.873 174.700 0.039 0.000 0.993 147 T CA -0.830 61.317 62.100 0.078 0.000 0.994 147 T CB 0.861 69.766 68.868 0.062 0.000 1.025 147 T HN 0.616 nan 8.240 nan 0.000 0.529 148 M N 0.290 119.889 119.600 -0.003 0.000 2.279 148 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 148 M C 2.182 178.427 176.300 -0.092 0.000 1.062 148 M CA 1.501 56.751 55.300 -0.084 0.000 1.099 148 M CB -1.280 31.168 32.600 -0.253 0.000 1.394 148 M HN 0.855 nan 8.290 nan 0.000 0.426 149 K N 0.627 120.988 120.400 -0.065 0.000 2.026 149 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 149 K C 1.706 178.280 176.600 -0.044 0.000 1.048 149 K CA 1.604 57.861 56.287 -0.050 0.000 0.929 149 K CB 0.032 32.538 32.500 0.010 0.000 0.713 149 K HN 0.389 nan 8.250 nan 0.000 0.439 150 E N 0.618 120.808 120.200 -0.018 0.000 2.058 150 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 150 E C 2.052 178.637 176.600 -0.025 0.000 0.997 150 E CA 1.205 57.596 56.400 -0.015 0.000 0.801 150 E CB -0.173 29.535 29.700 0.013 0.000 0.746 150 E HN 0.183 nan 8.360 nan 0.000 0.450 151 L N 1.177 122.387 121.223 -0.021 0.000 2.017 151 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 151 L C 2.100 178.949 176.870 -0.035 0.000 1.073 151 L CA 1.608 56.430 54.840 -0.029 0.000 0.745 151 L CB -0.404 41.629 42.059 -0.043 0.000 0.894 151 L HN 0.128 nan 8.230 nan 0.000 0.432 152 L N -0.829 120.359 121.223 -0.058 0.000 2.083 152 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 152 L C 2.221 179.023 176.870 -0.113 0.000 1.083 152 L CA 1.229 56.011 54.840 -0.097 0.000 0.752 152 L CB -0.935 41.025 42.059 -0.165 0.000 0.899 152 L HN 0.285 nan 8.230 nan 0.000 0.433 153 D N 0.402 120.740 120.400 -0.105 0.000 2.144 153 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 153 D C 2.200 178.410 176.300 -0.149 0.000 0.984 153 D CA 1.210 55.134 54.000 -0.127 0.000 0.834 153 D CB 0.011 40.748 40.800 -0.104 0.000 0.955 153 D HN 0.301 nan 8.370 nan 0.000 0.465 154 K N -0.161 120.182 120.400 -0.095 0.000 2.062 154 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 154 K C 1.976 178.561 176.600 -0.026 0.000 1.051 154 K CA 0.365 56.608 56.287 -0.072 0.000 0.941 154 K CB 0.178 32.672 32.500 -0.009 0.000 0.719 154 K HN 0.069 nan 8.250 nan 0.000 0.440 155 L N 0.613 121.845 121.223 0.015 0.000 2.162 155 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 155 L C 0.502 177.476 176.870 0.173 0.000 1.086 155 L CA 0.730 55.640 54.840 0.116 0.000 0.778 155 L CB -0.075 42.044 42.059 0.101 0.000 0.928 155 L HN 0.186 nan 8.230 nan 0.000 0.446 156 C N -0.383 118.928 119.300 0.019 0.000 2.281 156 C HA 0.115 4.575 4.460 -0.000 0.000 0.336 156 C C 1.049 176.044 174.990 0.008 0.000 1.217 156 C CA -0.982 58.035 59.018 -0.002 0.000 1.730 156 C CB -1.007 26.627 27.740 -0.176 0.000 2.338 156 C HN 0.473 nan 8.230 nan 0.000 0.521 157 W N 1.904 123.166 121.300 -0.063 0.000 3.139 157 W HA 0.117 4.777 4.660 -0.000 0.000 0.260 157 W C 1.461 177.961 176.519 -0.032 0.000 1.312 157 W CA 0.163 57.486 57.345 -0.037 0.000 1.606 157 W CB -0.128 29.321 29.460 -0.018 0.000 1.118 157 W HN 0.670 nan 8.180 nan 0.000 0.675 158 T N -3.564 111.067 114.554 0.128 0.000 2.887 158 T HA 0.294 4.644 4.350 -0.000 0.000 0.288 158 T C 0.832 175.529 174.700 -0.005 0.000 1.021 158 T CA -0.638 61.506 62.100 0.073 0.000 1.000 158 T CB 2.585 71.518 68.868 0.108 0.000 1.034 158 T HN -0.226 nan 8.240 nan 0.000 0.467 159 E N 1.117 121.316 120.200 -0.000 0.000 2.150 159 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 159 E C 2.132 178.722 176.600 -0.016 0.000 0.985 159 E CA 1.175 57.560 56.400 -0.024 0.000 0.814 159 E CB -0.425 29.270 29.700 -0.009 0.000 0.752 159 E HN 0.736 nan 8.360 nan 0.000 0.466 160 S N 0.588 116.314 115.700 0.043 0.000 2.359 160 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 160 S C 2.075 176.694 174.600 0.032 0.000 1.039 160 S CA 1.698 59.975 58.200 0.128 0.000 1.042 160 S CB -0.112 63.243 63.200 0.258 0.000 0.915 160 S HN 0.310 nan 8.310 nan 0.000 0.439 161 A N 1.189 123.897 122.820 -0.187 0.000 1.898 161 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 161 A C 2.180 179.420 177.584 -0.573 0.000 1.181 161 A CA 1.811 53.420 52.037 -0.714 0.000 0.620 161 A CB -0.737 17.897 19.000 -0.611 0.000 0.819 161 A HN 0.645 nan 8.150 nan 0.000 0.442 162 K N -0.526 119.661 120.400 -0.355 0.000 2.057 162 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 162 K C 2.239 178.682 176.600 -0.261 0.000 1.049 162 K CA 1.747 57.836 56.287 -0.329 0.000 0.931 162 K CB -0.183 32.194 32.500 -0.206 0.000 0.714 162 K HN 0.632 nan 8.250 nan 0.000 0.440 163 Q N 0.272 119.980 119.800 -0.153 0.000 2.084 163 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 163 Q C 2.101 178.078 176.000 -0.038 0.000 0.978 163 Q CA 1.320 57.088 55.803 -0.059 0.000 0.844 163 Q CB -0.082 28.664 28.738 0.015 0.000 0.898 163 Q HN 0.219 nan 8.270 nan 0.000 0.426 164 L N 0.445 121.631 121.223 -0.063 0.000 2.056 164 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 164 L C 2.113 178.909 176.870 -0.123 0.000 1.078 164 L CA 1.974 56.816 54.840 0.002 0.000 0.749 164 L CB -0.795 41.314 42.059 0.084 0.000 0.901 164 L HN 0.132 nan 8.230 nan 0.000 0.433 165 A N -1.591 120.929 122.820 -0.500 0.000 1.940 165 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 165 A C 2.262 179.715 177.584 -0.220 0.000 1.176 165 A CA 2.312 53.945 52.037 -0.673 0.000 0.631 165 A CB -1.192 16.929 19.000 -1.465 0.000 0.814 165 A HN 0.509 nan 8.150 nan 0.000 0.446 166 T N 0.044 114.473 114.554 -0.208 0.000 2.746 166 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 166 T C 1.866 176.539 174.700 -0.045 0.000 1.039 166 T CA 1.353 63.373 62.100 -0.134 0.000 1.142 166 T CB -0.387 68.419 68.868 -0.104 0.000 0.866 166 T HN 0.415 nan 8.240 nan 0.000 0.444 167 L N 0.339 121.585 121.223 0.038 0.000 2.012 167 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 167 L C 2.246 179.215 176.870 0.165 0.000 1.073 167 L CA 1.564 56.474 54.840 0.116 0.000 0.748 167 L CB -0.428 41.738 42.059 0.178 0.000 0.891 167 L HN 0.206 nan 8.230 nan 0.000 0.431 168 F N -0.015 119.976 119.950 0.067 0.000 2.065 168 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 168 F C 2.112 178.000 175.800 0.147 0.000 1.112 168 F CA 2.178 60.280 58.000 0.170 0.000 1.212 168 F CB -0.918 38.255 39.000 0.288 0.000 0.975 168 F HN -0.096 nan 8.300 nan 0.000 0.476 169 V N 1.155 120.916 119.914 -0.256 0.000 2.295 169 V HA -0.367 3.753 4.120 -0.000 0.000 0.246 169 V C 2.122 178.052 176.094 -0.273 0.000 1.049 169 V CA 2.456 64.438 62.300 -0.530 0.000 1.024 169 V CB -1.116 30.271 31.823 -0.728 0.000 0.648 169 V HN 0.425 nan 8.190 nan 0.000 0.447 170 N N 0.051 118.649 118.700 -0.169 0.000 2.104 170 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 170 N C 1.745 177.200 175.510 -0.093 0.000 1.024 170 N CA 1.340 54.318 53.050 -0.120 0.000 0.853 170 N CB -0.220 38.243 38.487 -0.040 0.000 1.008 170 N HN 0.329 nan 8.380 nan 0.000 0.424 171 L N 0.680 121.891 121.223 -0.020 0.000 2.109 171 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 171 L C 2.321 179.222 176.870 0.053 0.000 1.086 171 L CA 1.316 56.173 54.840 0.029 0.000 0.760 171 L CB -0.766 41.328 42.059 0.057 0.000 0.910 171 L HN 0.256 nan 8.230 nan 0.000 0.437 172 C N -1.212 118.097 119.300 0.015 0.000 2.466 172 C HA 0.005 4.465 4.460 -0.000 0.000 0.278 172 C C 2.211 177.231 174.990 0.050 0.000 1.288 172 C CA 1.066 60.133 59.018 0.082 0.000 1.722 172 C CB -0.536 27.159 27.740 -0.075 0.000 2.017 172 C HN 0.527 nan 8.230 nan 0.000 0.488 173 V N -1.412 118.443 119.914 -0.098 0.000 3.252 173 V HA 0.326 4.446 4.120 -0.000 0.000 0.320 173 V C 0.730 176.655 176.094 -0.283 0.000 1.459 173 V CA 0.977 63.182 62.300 -0.159 0.000 1.095 173 V CB -1.229 30.634 31.823 0.067 0.000 0.997 173 V HN 0.613 nan 8.190 nan 0.000 0.469 174 T N -1.441 112.865 114.554 -0.414 0.000 3.760 174 T HA -0.088 4.262 4.350 -0.000 0.000 0.366 174 T C 0.145 174.672 174.700 -0.289 0.000 0.761 174 T CA 1.344 63.202 62.100 -0.404 0.000 1.887 174 T CB -2.563 65.946 68.868 -0.599 0.000 1.811 174 T HN 2.441 nan 8.240 nan 0.000 0.749 175 A N -0.319 122.315 122.820 -0.309 0.000 2.594 175 A HA 0.727 5.047 4.320 -0.000 0.000 0.291 175 A C -0.418 176.941 177.584 -0.375 0.000 1.105 175 A CA -1.070 50.711 52.037 -0.427 0.000 0.694 175 A CB 1.219 19.738 19.000 -0.802 0.000 1.291 175 A HN 0.340 nan 8.150 nan 0.000 0.410 176 E N 0.508 120.444 120.200 -0.441 0.000 2.373 176 E HA 0.237 4.587 4.350 -0.000 0.000 0.263 176 E C 1.265 177.550 176.600 -0.525 0.000 1.073 176 E CA 0.534 56.644 56.400 -0.484 0.000 0.894 176 E CB 0.833 30.066 29.700 -0.778 0.000 1.008 176 E HN 0.804 nan 8.360 nan 0.000 0.420 177 T N -1.301 113.018 114.554 -0.392 0.000 2.833 177 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 177 T C 1.435 175.999 174.700 -0.227 0.000 1.054 177 T CA 1.667 63.588 62.100 -0.299 0.000 1.135 177 T CB -0.386 68.356 68.868 -0.211 0.000 0.869 177 T HN 0.622 nan 8.240 nan 0.000 0.466 178 H N 0.586 119.586 119.070 -0.115 0.000 2.555 178 H HA 0.259 4.815 4.556 -0.000 0.000 0.269 178 H C 1.455 176.747 175.328 -0.060 0.000 0.988 178 H CA 0.771 56.773 56.048 -0.076 0.000 1.178 178 H CB -0.195 29.525 29.762 -0.071 0.000 1.373 178 H HN 0.509 nan 8.280 nan 0.000 0.588 179 E N 1.336 121.325 120.200 -0.353 0.000 2.318 179 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 179 E C 0.751 177.307 176.600 -0.074 0.000 0.998 179 E CA 0.414 56.690 56.400 -0.207 0.000 0.859 179 E CB 0.822 30.251 29.700 -0.452 0.000 0.812 179 E HN 0.360 nan 8.360 nan 0.000 0.492 180 V N -1.092 118.772 119.914 -0.082 0.000 2.667 180 V HA 0.429 4.549 4.120 -0.000 0.000 0.308 180 V C -0.018 176.206 176.094 0.216 0.000 1.048 180 V CA -1.176 61.188 62.300 0.107 0.000 0.928 180 V CB 1.849 33.775 31.823 0.172 0.000 1.004 180 V HN -0.034 nan 8.190 nan 0.000 0.444 181 S N 3.205 119.112 115.700 0.346 0.000 2.549 181 S HA 0.455 4.925 4.470 -0.000 0.000 0.286 181 S C 1.413 176.254 174.600 0.402 0.000 1.314 181 S CA 0.204 58.619 58.200 0.358 0.000 1.062 181 S CB 0.997 64.445 63.200 0.413 0.000 0.865 181 S HN 1.750 nan 8.310 nan 0.000 0.498 182 A N 4.753 127.743 122.820 0.283 0.000 1.898 182 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 182 A C 2.017 179.774 177.584 0.289 0.000 1.181 182 A CA 1.492 53.667 52.037 0.231 0.000 0.620 182 A CB -0.917 18.147 19.000 0.107 0.000 0.819 182 A HN 0.955 nan 8.150 nan 0.000 0.442 183 L N -1.363 120.077 121.223 0.362 0.000 2.012 183 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 183 L C 2.233 179.339 176.870 0.394 0.000 1.073 183 L CA 2.598 57.684 54.840 0.410 0.000 0.748 183 L CB -0.800 41.503 42.059 0.407 0.000 0.891 183 L HN 0.661 nan 8.230 nan 0.000 0.431 184 W N -0.613 120.849 121.300 0.270 0.000 2.358 184 W HA -0.277 4.383 4.660 -0.000 0.000 0.303 184 W C 2.343 179.119 176.519 0.428 0.000 1.208 184 W CA 1.884 59.407 57.345 0.296 0.000 1.274 184 W CB -0.660 28.952 29.460 0.253 0.000 1.138 184 W HN 0.293 nan 8.180 nan 0.000 0.515 185 F N 0.762 120.771 119.950 0.098 0.000 2.134 185 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 185 F C 2.069 177.773 175.800 -0.160 0.000 1.097 185 F CA 2.143 59.999 58.000 -0.240 0.000 1.264 185 F CB -0.636 38.339 39.000 -0.042 0.000 1.001 185 F HN -0.171 nan 8.300 nan 0.000 0.479 186 L N -1.308 119.927 121.223 0.020 0.000 2.083 186 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 186 L C 2.278 179.078 176.870 -0.117 0.000 1.083 186 L CA 1.555 56.351 54.840 -0.074 0.000 0.752 186 L CB -1.005 41.038 42.059 -0.026 0.000 0.899 186 L HN 0.441 nan 8.230 nan 0.000 0.433 187 W N 0.111 121.289 121.300 -0.204 0.000 2.355 187 W HA -0.316 4.344 4.660 -0.000 0.000 0.309 187 W C 2.632 178.943 176.519 -0.347 0.000 1.206 187 W CA 1.601 58.809 57.345 -0.228 0.000 1.284 187 W CB -0.651 28.706 29.460 -0.171 0.000 1.145 187 W HN 0.110 nan 8.180 nan 0.000 0.502 188 Y N 0.604 120.444 120.300 -0.766 0.000 2.128 188 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 188 Y C 2.377 177.727 175.900 -0.917 0.000 1.154 188 Y CA 3.063 60.508 58.100 -1.091 0.000 1.149 188 Y CB -0.790 36.991 38.460 -1.131 0.000 0.976 188 Y HN -0.137 nan 8.280 nan 0.000 0.505 189 V N 0.929 120.447 119.914 -0.661 0.000 2.307 189 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 189 V C 2.501 178.283 176.094 -0.521 0.000 1.045 189 V CA 2.197 64.190 62.300 -0.511 0.000 1.024 189 V CB -0.683 30.930 31.823 -0.350 0.000 0.651 189 V HN 0.322 nan 8.190 nan 0.000 0.449 190 K N 1.135 121.245 120.400 -0.484 0.000 2.063 190 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 190 K C 2.141 178.418 176.600 -0.539 0.000 1.048 190 K CA 2.302 58.341 56.287 -0.413 0.000 0.928 190 K CB -0.172 32.157 32.500 -0.286 0.000 0.713 190 K HN 0.717 nan 8.250 nan 0.000 0.442 191 Q N -0.809 118.516 119.800 -0.791 0.000 2.472 191 Q HA 0.003 4.343 4.340 -0.000 0.000 0.208 191 Q C 1.538 177.018 176.000 -0.867 0.000 0.958 191 Q CA 0.994 56.326 55.803 -0.786 0.000 0.932 191 Q CB -0.484 27.607 28.738 -1.079 0.000 1.007 191 Q HN 0.156 nan 8.270 nan 0.000 0.508 192 C N 0.011 118.652 119.300 -1.099 0.000 2.791 192 C HA 0.598 5.058 4.460 -0.000 0.000 0.270 192 C C 1.547 175.787 174.990 -1.249 0.000 1.257 192 C CA 0.218 58.186 59.018 -1.750 0.000 1.699 192 C CB -0.833 25.860 27.740 -1.746 0.000 1.904 192 C HN 0.830 nan 8.230 nan 0.000 0.603 193 G N -0.033 108.368 108.800 -0.665 0.000 2.163 193 G HA2 0.314 4.274 3.960 -0.000 0.000 0.213 193 G HA3 0.314 4.274 3.960 -0.000 0.000 0.213 193 G C 0.440 175.177 174.900 -0.272 0.000 0.991 193 G CA -0.015 44.868 45.100 -0.362 0.000 0.653 193 G HN 1.614 nan 8.290 nan 0.000 0.518 194 G N -1.981 106.636 108.800 -0.305 0.000 2.592 194 G HA2 0.329 4.289 3.960 -0.000 0.000 0.684 194 G HA3 0.329 4.289 3.960 -0.000 0.000 0.684 194 G C 1.032 175.861 174.900 -0.119 0.000 1.291 194 G CA 0.975 45.964 45.100 -0.186 0.000 0.891 194 G HN 1.832 nan 8.290 nan 0.000 0.544 195 T N -2.930 111.604 114.554 -0.034 0.000 2.708 195 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 195 T C 2.361 176.994 174.700 -0.112 0.000 1.037 195 T CA 2.979 65.087 62.100 0.013 0.000 1.146 195 T CB -0.887 68.072 68.868 0.151 0.000 0.865 195 T HN 0.990 nan 8.240 nan 0.000 0.435 196 T N 1.387 115.912 114.554 -0.048 0.000 2.708 196 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 196 T C 2.134 176.740 174.700 -0.157 0.000 1.037 196 T CA 1.573 63.592 62.100 -0.135 0.000 1.146 196 T CB -0.339 68.544 68.868 0.025 0.000 0.865 196 T HN 0.301 nan 8.240 nan 0.000 0.435 197 R N 0.900 121.346 120.500 -0.089 0.000 2.081 197 R HA 0.124 4.464 4.340 -0.000 0.000 0.235 197 R C 2.207 178.515 176.300 0.014 0.000 1.131 197 R CA 1.228 57.308 56.100 -0.033 0.000 0.960 197 R CB -0.849 29.428 30.300 -0.039 0.000 0.856 197 R HN 0.461 nan 8.270 nan 0.000 0.436 198 I N 0.342 120.883 120.570 -0.048 0.000 2.439 198 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 198 I C 1.666 177.832 176.117 0.082 0.000 1.139 198 I CA 1.095 62.425 61.300 0.049 0.000 1.438 198 I CB 0.083 38.090 38.000 0.013 0.000 1.085 198 I HN 0.337 nan 8.210 nan 0.000 0.427 199 I N -2.689 117.841 120.570 -0.066 0.000 3.603 199 I HA 0.135 4.305 4.170 -0.000 0.000 0.297 199 I C 0.679 176.684 176.117 -0.187 0.000 1.269 199 I CA -0.031 61.176 61.300 -0.154 0.000 1.361 199 I CB -0.064 37.689 38.000 -0.411 0.000 1.063 199 I HN -0.096 nan 8.210 nan 0.000 0.448 200 S N 1.403 117.003 115.700 -0.167 0.000 2.565 200 S HA 0.276 4.745 4.470 -0.000 0.000 0.274 200 S C 0.917 175.469 174.600 -0.079 0.000 1.309 200 S CA -0.353 57.762 58.200 -0.142 0.000 1.043 200 S CB 1.719 64.839 63.200 -0.134 0.000 0.939 200 S HN 0.292 nan 8.310 nan 0.000 0.504 201 T N 2.435 116.945 114.554 -0.073 0.000 2.824 201 T HA 0.008 4.358 4.350 -0.000 0.000 0.238 201 T C 0.628 175.289 174.700 -0.064 0.000 1.067 201 T CA 0.700 62.756 62.100 -0.072 0.000 1.286 201 T CB -0.375 68.454 68.868 -0.066 0.000 0.980 201 T HN 0.615 nan 8.240 nan 0.000 0.414 202 T N 3.547 118.069 114.554 -0.053 0.000 2.831 202 T HA 0.101 4.451 4.350 -0.000 0.000 0.291 202 T C 0.705 175.379 174.700 -0.043 0.000 0.981 202 T CA 0.377 62.452 62.100 -0.042 0.000 1.174 202 T CB -0.194 68.656 68.868 -0.030 0.000 0.929 202 T HN 0.523 nan 8.240 nan 0.000 0.532 203 N N 0.827 119.504 118.700 -0.038 0.000 2.741 203 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 203 N C 0.149 175.645 175.510 -0.025 0.000 1.112 203 N CA 1.406 54.438 53.050 -0.029 0.000 0.750 203 N CB -1.055 37.420 38.487 -0.020 0.000 1.119 203 N HN 0.963 nan 8.380 nan 0.000 0.561 204 G N -3.117 105.661 108.800 -0.036 0.000 2.975 204 G HA2 0.567 4.527 3.960 -0.000 0.000 0.291 204 G HA3 0.567 4.527 3.960 -0.000 0.000 0.291 204 G C 0.980 175.856 174.900 -0.039 0.000 1.334 204 G CA -0.029 45.067 45.100 -0.006 0.000 0.843 204 G HN 0.301 nan 8.290 nan 0.000 0.548 205 G N -0.897 107.917 108.800 0.023 0.000 2.479 205 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 205 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 205 G C 1.181 176.026 174.900 -0.091 0.000 1.115 205 G CA 1.017 46.044 45.100 -0.122 0.000 0.757 205 G HN 0.407 nan 8.290 nan 0.000 0.560 206 Q N -0.452 119.300 119.800 -0.080 0.000 2.204 206 Q HA 0.270 4.610 4.340 -0.000 0.000 0.209 206 Q C 1.669 177.607 176.000 -0.103 0.000 0.861 206 Q CA -0.102 55.607 55.803 -0.157 0.000 0.971 206 Q CB 0.696 29.248 28.738 -0.311 0.000 1.095 206 Q HN 0.634 nan 8.270 nan 0.000 0.486 207 E N 0.455 120.597 120.200 -0.095 0.000 2.106 207 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 207 E C -0.039 176.493 176.600 -0.113 0.000 0.984 207 E CA 0.760 57.103 56.400 -0.094 0.000 0.806 207 E CB 0.429 30.070 29.700 -0.099 0.000 0.750 207 E HN 0.151 nan 8.360 nan 0.000 0.458 208 R N -0.875 119.534 120.500 -0.151 0.000 2.836 208 R HA 0.466 4.806 4.340 -0.000 0.000 0.269 208 R C -1.084 174.992 176.300 -0.373 0.000 1.010 208 R CA -0.732 55.191 56.100 -0.295 0.000 0.930 208 R CB 2.012 32.117 30.300 -0.324 0.000 1.218 208 R HN -0.179 nan 8.270 nan 0.000 0.473 209 K N 0.576 120.587 120.400 -0.648 0.000 2.444 209 K HA 0.433 4.753 4.320 -0.000 0.000 0.252 209 K C -1.167 175.118 176.600 -0.525 0.000 0.993 209 K CA -0.703 55.221 56.287 -0.604 0.000 0.847 209 K CB 1.613 33.813 32.500 -0.500 0.000 1.340 209 K HN 0.245 nan 8.250 nan 0.000 0.446 210 F N 1.185 121.076 119.950 -0.097 0.000 2.427 210 F HA 0.140 4.667 4.527 -0.000 0.000 0.352 210 F C 0.483 176.337 175.800 0.090 0.000 1.100 210 F CA -0.911 57.078 58.000 -0.018 0.000 1.191 210 F CB 0.926 39.891 39.000 -0.058 0.000 1.128 210 F HN 0.016 nan 8.300 nan 0.000 0.533 211 V N 3.892 124.007 119.914 0.335 0.000 2.493 211 V HA 0.184 4.304 4.120 -0.000 0.000 0.292 211 V C 0.980 176.956 176.094 -0.195 0.000 1.016 211 V CA 1.276 63.684 62.300 0.181 0.000 1.097 211 V CB 0.085 31.998 31.823 0.150 0.000 0.947 211 V HN 1.116 nan 8.190 nan 0.000 0.479 212 G N 3.262 111.517 108.800 -0.909 0.000 2.199 212 G HA2 0.131 4.091 3.960 -0.000 0.000 0.254 212 G HA3 0.131 4.091 3.960 -0.000 0.000 0.254 212 G C 0.806 175.186 174.900 -0.867 0.000 0.982 212 G CA -0.038 44.269 45.100 -1.321 0.000 0.632 212 G HN 2.457 nan 8.290 nan 0.000 0.529 213 G N -1.545 107.026 108.800 -0.381 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 0.795 175.706 174.900 0.018 0.000 1.214 213 G CA 0.840 45.918 45.100 -0.037 0.000 0.796 213 G HN 1.867 nan 8.290 nan 0.000 0.654 214 S N -0.047 115.721 115.700 0.112 0.000 2.453 214 S HA 0.134 4.604 4.470 -0.000 0.000 0.231 214 S C 2.540 177.131 174.600 -0.015 0.000 1.005 214 S CA 1.627 59.892 58.200 0.108 0.000 0.949 214 S CB -0.042 63.284 63.200 0.210 0.000 0.774 214 S HN 2.172 nan 8.310 nan 0.000 0.510 215 G N 1.412 110.216 108.800 0.007 0.000 2.462 215 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 215 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 215 G C 1.445 176.320 174.900 -0.042 0.000 1.121 215 G CA 0.689 45.797 45.100 0.013 0.000 0.758 215 G HN 0.627 nan 8.290 nan 0.000 0.559 216 Q N -0.255 119.485 119.800 -0.101 0.000 2.226 216 Q HA -0.067 4.273 4.340 -0.000 0.000 0.204 216 Q C 2.759 178.666 176.000 -0.154 0.000 0.975 216 Q CA 1.032 56.756 55.803 -0.133 0.000 0.866 216 Q CB -0.178 28.454 28.738 -0.175 0.000 0.915 216 Q HN 0.440 nan 8.270 nan 0.000 0.440 217 V N 0.242 120.036 119.914 -0.200 0.000 2.233 217 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 217 V C 2.136 178.168 176.094 -0.102 0.000 1.050 217 V CA 2.171 64.356 62.300 -0.192 0.000 1.010 217 V CB -0.622 31.071 31.823 -0.218 0.000 0.637 217 V HN 0.299 nan 8.190 nan 0.000 0.444 218 S N -0.746 114.918 115.700 -0.059 0.000 2.383 218 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 218 S C 1.915 176.497 174.600 -0.030 0.000 1.026 218 S CA 1.434 59.618 58.200 -0.027 0.000 0.981 218 S CB -0.270 62.936 63.200 0.011 0.000 0.818 218 S HN 0.680 nan 8.310 nan 0.000 0.472 219 E N 1.075 121.256 120.200 -0.031 0.000 2.058 219 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 219 E C 2.345 178.917 176.600 -0.047 0.000 0.997 219 E CA 0.959 57.341 56.400 -0.030 0.000 0.801 219 E CB -0.089 29.593 29.700 -0.030 0.000 0.746 219 E HN 0.352 nan 8.360 nan 0.000 0.450 220 R N 0.160 120.621 120.500 -0.065 0.000 2.115 220 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 220 R C 2.315 178.576 176.300 -0.066 0.000 1.100 220 R CA 0.809 56.868 56.100 -0.068 0.000 0.980 220 R CB -0.149 30.101 30.300 -0.084 0.000 0.875 220 R HN 0.225 nan 8.270 nan 0.000 0.445 221 I N 0.576 121.106 120.570 -0.067 0.000 2.353 221 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 221 I C 2.638 178.708 176.117 -0.079 0.000 1.119 221 I CA 1.039 62.296 61.300 -0.071 0.000 1.417 221 I CB -0.165 37.799 38.000 -0.061 0.000 1.078 221 I HN 0.190 nan 8.210 nan 0.000 0.421 222 M N 0.932 120.495 119.600 -0.061 0.000 2.117 222 M HA -0.246 4.234 4.480 -0.000 0.000 0.262 222 M C 1.631 177.895 176.300 -0.061 0.000 1.065 222 M CA 1.967 57.232 55.300 -0.057 0.000 1.114 222 M CB -0.204 32.375 32.600 -0.036 0.000 1.361 222 M HN 0.130 nan 8.290 nan 0.000 0.408 223 D N 0.782 121.150 120.400 -0.054 0.000 2.123 223 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 223 D C 2.062 178.326 176.300 -0.060 0.000 0.992 223 D CA 1.485 55.456 54.000 -0.048 0.000 0.833 223 D CB -0.508 40.267 40.800 -0.042 0.000 0.954 223 D HN 0.436 nan 8.370 nan 0.000 0.455 224 L N 0.075 121.251 121.223 -0.079 0.000 2.046 224 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 224 L C 2.456 179.219 176.870 -0.178 0.000 1.077 224 L CA 0.746 55.525 54.840 -0.103 0.000 0.747 224 L CB -0.295 41.701 42.059 -0.106 0.000 0.896 224 L HN 0.028 nan 8.230 nan 0.000 0.432 225 L N -1.062 120.036 121.223 -0.208 0.000 2.418 225 L HA 0.089 4.429 4.340 -0.000 0.000 0.218 225 L C 1.704 178.493 176.870 -0.134 0.000 1.125 225 L CA 0.444 55.123 54.840 -0.267 0.000 0.835 225 L CB -0.838 41.088 42.059 -0.221 0.000 0.953 225 L HN 0.468 nan 8.230 nan 0.000 0.454 226 G N 1.922 110.672 108.800 -0.084 0.000 2.622 226 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.307 226 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.307 226 G C 0.601 175.484 174.900 -0.028 0.000 1.226 226 G CA 0.538 45.613 45.100 -0.042 0.000 0.997 226 G HN 0.510 nan 8.290 nan 0.000 0.551 227 D N 1.086 121.481 120.400 -0.009 0.000 2.378 227 D HA 0.011 4.651 4.640 -0.000 0.000 0.227 227 D C 2.099 178.405 176.300 0.011 0.000 1.012 227 D CA 0.932 54.936 54.000 0.006 0.000 0.905 227 D CB -0.359 40.452 40.800 0.019 0.000 0.895 227 D HN 0.645 nan 8.370 nan 0.000 0.532 228 R N -0.051 120.446 120.500 -0.005 0.000 2.189 228 R HA 0.080 4.420 4.340 -0.000 0.000 0.218 228 R C 0.358 176.640 176.300 -0.029 0.000 1.074 228 R CA 0.303 56.400 56.100 -0.005 0.000 0.991 228 R CB 0.216 30.506 30.300 -0.017 0.000 0.883 228 R HN 0.084 nan 8.270 nan 0.000 0.457 229 V N 3.024 122.916 119.914 -0.037 0.000 2.406 229 V HA 0.110 4.230 4.120 -0.000 0.000 0.272 229 V C -0.088 175.985 176.094 -0.036 0.000 1.043 229 V CA -0.360 61.912 62.300 -0.047 0.000 0.915 229 V CB 1.282 33.078 31.823 -0.045 0.000 0.988 229 V HN 0.043 nan 8.190 nan 0.000 0.466 230 K N 6.502 126.868 120.400 -0.057 0.000 2.334 230 K HA 0.537 4.857 4.320 -0.000 0.000 0.265 230 K C -0.675 175.897 176.600 -0.047 0.000 1.039 230 K CA -0.307 55.958 56.287 -0.038 0.000 0.920 230 K CB 1.818 34.285 32.500 -0.055 0.000 1.160 230 K HN 0.504 nan 8.250 nan 0.000 0.451 231 L N 1.634 122.842 121.223 -0.025 0.000 2.399 231 L HA 0.178 4.518 4.340 -0.000 0.000 0.266 231 L C 0.713 177.566 176.870 -0.029 0.000 1.114 231 L CA -0.212 54.609 54.840 -0.031 0.000 0.804 231 L CB 0.278 42.327 42.059 -0.016 0.000 1.146 231 L HN 0.698 nan 8.230 nan 0.000 0.451 232 E N 0.607 120.777 120.200 -0.050 0.000 2.389 232 E HA -0.233 4.117 4.350 -0.000 0.000 0.243 232 E C -0.488 176.091 176.600 -0.036 0.000 1.154 232 E CA 0.287 56.659 56.400 -0.047 0.000 0.723 232 E CB -0.861 28.831 29.700 -0.013 0.000 1.261 232 E HN 0.376 nan 8.360 nan 0.000 0.390 233 R N 0.226 120.687 120.500 -0.065 0.000 2.724 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 233 R C -2.692 173.552 176.300 -0.092 0.000 1.481 233 R CA -1.973 54.101 56.100 -0.044 0.000 1.652 233 R CB 0.587 30.859 30.300 -0.045 0.000 1.175 233 R HN -0.006 nan 8.270 nan 0.000 0.613 234 P HA 0.014 nan 4.420 nan 0.000 0.271 234 P C -0.312 176.973 177.300 -0.025 0.000 1.226 234 P CA -0.169 62.850 63.100 -0.136 0.000 0.765 234 P CB 0.931 32.567 31.700 -0.106 0.000 0.835 235 V N 5.582 125.483 119.914 -0.022 0.000 2.555 235 V HA 0.057 4.177 4.120 -0.000 0.000 0.286 235 V C 1.709 177.828 176.094 0.042 0.000 1.044 235 V CA 0.438 62.742 62.300 0.006 0.000 1.026 235 V CB 0.301 32.113 31.823 -0.019 0.000 0.981 235 V HN 0.542 nan 8.190 nan 0.000 0.480 236 I N 1.820 122.426 120.570 0.060 0.000 4.323 236 I HA 0.450 4.620 4.170 -0.000 0.000 0.328 236 I C -0.004 176.203 176.117 0.149 0.000 1.310 236 I CA 0.102 61.465 61.300 0.105 0.000 1.186 236 I CB 0.634 38.678 38.000 0.074 0.000 1.130 236 I HN 0.502 nan 8.210 nan 0.000 0.411 237 Y N 1.832 122.075 120.300 -0.096 0.000 2.436 237 Y HA 0.682 5.232 4.550 -0.000 0.000 0.327 237 Y C -1.913 173.898 175.900 -0.148 0.000 1.138 237 Y CA -1.494 56.527 58.100 -0.131 0.000 1.042 237 Y CB 1.648 40.053 38.460 -0.090 0.000 1.302 237 Y HN -0.014 nan 8.280 nan 0.000 0.439 238 I N 5.771 125.895 120.570 -0.743 0.000 2.447 238 I HA 0.293 4.463 4.170 -0.000 0.000 0.287 238 I C -1.408 174.305 176.117 -0.673 0.000 1.023 238 I CA -0.692 60.268 61.300 -0.567 0.000 1.083 238 I CB 1.824 39.643 38.000 -0.303 0.000 1.245 238 I HN 0.528 nan 8.210 nan 0.000 0.434 239 D N 6.060 126.136 120.400 -0.540 0.000 2.425 239 D HA 0.278 4.918 4.640 -0.000 0.000 0.240 239 D C -0.240 175.988 176.300 -0.120 0.000 1.080 239 D CA -0.193 53.604 54.000 -0.339 0.000 0.836 239 D CB 1.545 42.199 40.800 -0.243 0.000 1.125 239 D HN 0.489 nan 8.370 nan 0.000 0.525 240 Q N 1.806 121.574 119.800 -0.054 0.000 2.175 240 Q HA 0.079 4.419 4.340 -0.000 0.000 0.225 240 Q C 1.115 177.110 176.000 -0.009 0.000 0.837 240 Q CA 0.001 55.791 55.803 -0.022 0.000 1.032 240 Q CB 0.791 29.530 28.738 0.002 0.000 1.137 240 Q HN 0.580 nan 8.270 nan 0.000 0.483 241 T N -2.542 112.012 114.554 -0.001 0.000 3.088 241 T HA 0.109 4.459 4.350 -0.000 0.000 0.259 241 T C 0.931 175.634 174.700 0.005 0.000 1.122 241 T CA 0.252 62.359 62.100 0.012 0.000 1.095 241 T CB 0.289 69.175 68.868 0.029 0.000 0.930 241 T HN 0.071 nan 8.240 nan 0.000 0.508 242 R N 0.139 120.637 120.500 -0.003 0.000 2.944 242 R HA 0.483 4.823 4.340 -0.000 0.000 0.233 242 R C 1.411 177.699 176.300 -0.020 0.000 1.346 242 R CA -0.781 55.316 56.100 -0.006 0.000 1.082 242 R CB 0.784 31.084 30.300 0.000 0.000 1.434 242 R HN 0.090 nan 8.270 nan 0.000 0.510 243 E N 0.731 120.918 120.200 -0.022 0.000 2.058 243 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 243 E C -0.290 176.276 176.600 -0.056 0.000 0.997 243 E CA 1.250 57.630 56.400 -0.034 0.000 0.801 243 E CB 0.159 29.843 29.700 -0.026 0.000 0.746 243 E HN 0.290 nan 8.360 nan 0.000 0.450 244 N N 0.168 118.839 118.700 -0.047 0.000 2.417 244 N HA 0.183 4.923 4.740 -0.000 0.000 0.300 244 N C -0.936 174.545 175.510 -0.048 0.000 1.102 244 N CA -0.399 52.615 53.050 -0.060 0.000 0.886 244 N CB 2.066 40.529 38.487 -0.039 0.000 1.203 244 N HN -0.145 nan 8.380 nan 0.000 0.496 245 V N 2.015 121.894 119.914 -0.059 0.000 2.637 245 V HA 0.176 4.296 4.120 -0.000 0.000 0.296 245 V C 0.478 176.561 176.094 -0.018 0.000 1.046 245 V CA -0.271 62.004 62.300 -0.042 0.000 1.066 245 V CB 0.207 32.008 31.823 -0.038 0.000 0.968 245 V HN 0.370 nan 8.190 nan 0.000 0.483 246 L N 5.491 126.697 121.223 -0.028 0.000 2.296 246 L HA 0.587 4.927 4.340 -0.000 0.000 0.286 246 L C -0.641 176.216 176.870 -0.022 0.000 1.023 246 L CA -0.542 54.298 54.840 -0.001 0.000 0.812 246 L CB 1.821 43.892 42.059 0.020 0.000 1.223 246 L HN 0.374 nan 8.230 nan 0.000 0.421 247 V N 2.826 122.772 119.914 0.053 0.000 2.407 247 V HA 0.349 4.469 4.120 -0.000 0.000 0.291 247 V C -0.230 175.956 176.094 0.153 0.000 1.018 247 V CA -0.630 61.704 62.300 0.057 0.000 0.842 247 V CB 1.732 33.588 31.823 0.054 0.000 0.996 247 V HN 0.722 nan 8.190 nan 0.000 0.426 248 E N 2.877 123.164 120.200 0.144 0.000 2.191 248 E HA 0.653 5.003 4.350 -0.000 0.000 0.274 248 E C -0.260 176.415 176.600 0.125 0.000 0.948 248 E CA -0.457 56.041 56.400 0.163 0.000 0.802 248 E CB 1.809 31.617 29.700 0.180 0.000 1.137 248 E HN 0.837 nan 8.360 nan 0.000 0.397 249 T N 0.945 115.576 114.554 0.128 0.000 2.952 249 T HA 0.203 4.553 4.350 -0.000 0.000 0.286 249 T C 0.928 175.667 174.700 0.064 0.000 1.024 249 T CA -0.848 61.310 62.100 0.097 0.000 1.029 249 T CB 1.167 70.116 68.868 0.135 0.000 1.094 249 T HN 0.431 nan 8.240 nan 0.000 0.515 250 L N 1.726 122.989 121.223 0.067 0.000 2.083 250 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 250 L C 1.890 178.853 176.870 0.156 0.000 1.083 250 L CA 2.124 57.012 54.840 0.081 0.000 0.752 250 L CB -1.164 40.948 42.059 0.089 0.000 0.899 250 L HN 0.942 nan 8.230 nan 0.000 0.433 251 N N -2.531 116.257 118.700 0.147 0.000 2.471 251 N HA -0.106 4.634 4.740 -0.000 0.000 0.205 251 N C 0.187 175.847 175.510 0.249 0.000 1.251 251 N CA 0.349 53.502 53.050 0.172 0.000 0.843 251 N CB -0.444 38.102 38.487 0.099 0.000 1.044 251 N HN 0.477 nan 8.380 nan 0.000 0.461 252 H N -2.323 116.763 119.070 0.027 0.000 3.257 252 H HA -0.143 4.413 4.556 -0.000 0.000 0.222 252 H C -0.806 174.526 175.328 0.008 0.000 1.143 252 H CA 0.677 56.731 56.048 0.011 0.000 1.152 252 H CB -1.362 28.397 29.762 -0.005 0.000 1.188 252 H HN 0.639 nan 8.280 nan 0.000 0.315 253 E N 0.455 120.722 120.200 0.113 0.000 2.319 253 E HA 0.436 4.786 4.350 -0.000 0.000 0.268 253 E C 0.034 176.635 176.600 0.002 0.000 1.050 253 E CA -0.536 55.880 56.400 0.026 0.000 0.878 253 E CB 1.326 31.069 29.700 0.071 0.000 1.066 253 E HN 0.045 nan 8.360 nan 0.000 0.406 254 M N 2.578 122.079 119.600 -0.165 0.000 2.321 254 M HA 0.351 4.831 4.480 -0.000 0.000 0.315 254 M C -2.036 174.072 176.300 -0.319 0.000 1.052 254 M CA -0.397 54.842 55.300 -0.101 0.000 0.936 254 M CB 0.960 33.529 32.600 -0.051 0.000 1.639 254 M HN 0.386 nan 8.290 nan 0.000 0.433 255 Y N 1.577 121.884 120.300 0.012 0.000 2.446 255 Y HA 0.612 5.162 4.550 -0.000 0.000 0.345 255 Y C -0.488 175.413 175.900 0.002 0.000 0.984 255 Y CA -0.668 57.437 58.100 0.007 0.000 1.058 255 Y CB 1.848 40.311 38.460 0.006 0.000 1.220 255 Y HN 0.597 nan 8.280 nan 0.000 0.455 256 E N 1.717 121.991 120.200 0.125 0.000 2.199 256 E HA 0.829 5.179 4.350 -0.000 0.000 0.265 256 E C -1.547 175.091 176.600 0.063 0.000 0.882 256 E CA -0.675 55.763 56.400 0.063 0.000 0.759 256 E CB 1.294 31.007 29.700 0.022 0.000 1.148 256 E HN 0.764 nan 8.360 nan 0.000 0.412 257 A N 3.594 126.435 122.820 0.034 0.000 2.594 257 A HA 0.382 4.702 4.320 -0.000 0.000 0.291 257 A C -0.028 177.531 177.584 -0.041 0.000 1.105 257 A CA -0.644 51.407 52.037 0.024 0.000 0.694 257 A CB 1.524 20.556 19.000 0.054 0.000 1.291 257 A HN 0.680 nan 8.150 nan 0.000 0.410 258 K N -0.773 119.588 120.400 -0.064 0.000 2.116 258 K HA 0.091 4.411 4.320 -0.000 0.000 0.203 258 K C -0.644 175.628 176.600 -0.547 0.000 1.052 258 K CA 1.490 57.611 56.287 -0.277 0.000 0.952 258 K CB -0.073 32.309 32.500 -0.196 0.000 0.729 258 K HN 0.612 nan 8.250 nan 0.000 0.446 259 Y N -1.258 119.061 120.300 0.033 0.000 2.615 259 Y HA 0.401 4.951 4.550 -0.000 0.000 0.341 259 Y C -0.611 175.312 175.900 0.039 0.000 1.089 259 Y CA -1.301 56.834 58.100 0.058 0.000 1.049 259 Y CB 1.809 40.300 38.460 0.052 0.000 1.296 259 Y HN -0.423 nan 8.280 nan 0.000 0.470 260 V N 2.903 122.954 119.914 0.227 0.000 2.735 260 V HA 0.484 4.604 4.120 -0.000 0.000 0.310 260 V C -0.689 175.451 176.094 0.077 0.000 1.061 260 V CA -0.875 61.487 62.300 0.103 0.000 0.913 260 V CB 2.168 34.017 31.823 0.044 0.000 1.005 260 V HN 0.541 nan 8.190 nan 0.000 0.428 261 I N 2.728 123.313 120.570 0.026 0.000 2.362 261 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 261 I C 0.263 176.368 176.117 -0.020 0.000 0.994 261 I CA -0.166 61.130 61.300 -0.007 0.000 1.158 261 I CB 1.904 39.907 38.000 0.006 0.000 1.315 261 I HN 0.603 nan 8.210 nan 0.000 0.451 262 S N 5.442 121.099 115.700 -0.072 0.000 2.399 262 S HA 0.495 4.965 4.470 -0.000 0.000 0.301 262 S C 0.486 175.172 174.600 0.144 0.000 1.093 262 S CA -0.466 57.768 58.200 0.057 0.000 1.077 262 S CB 0.494 63.773 63.200 0.132 0.000 0.980 262 S HN 0.716 nan 8.310 nan 0.000 0.494 263 A N 5.880 128.771 122.820 0.118 0.000 2.827 263 A HA 0.445 4.765 4.320 -0.000 0.000 0.300 263 A C 0.396 178.060 177.584 0.134 0.000 1.237 263 A CA -0.674 51.438 52.037 0.124 0.000 0.964 263 A CB -0.535 18.514 19.000 0.081 0.000 1.143 263 A HN 0.906 nan 8.150 nan 0.000 0.554 264 I N -3.935 116.732 120.570 0.162 0.000 2.750 264 I HA 0.660 4.830 4.170 -0.000 0.000 0.308 264 I C -2.899 173.315 176.117 0.161 0.000 1.016 264 I CA -3.077 58.315 61.300 0.155 0.000 1.098 264 I CB 1.375 39.468 38.000 0.155 0.000 1.279 264 I HN -0.163 nan 8.210 nan 0.000 0.454 265 P HA 0.109 nan 4.420 nan 0.000 0.264 265 P C -2.163 175.190 177.300 0.088 0.000 1.183 265 P CA -0.560 62.609 63.100 0.114 0.000 0.763 265 P CB -0.024 31.731 31.700 0.091 0.000 0.807 266 P HA -0.238 nan 4.420 nan 0.000 0.216 266 P C 1.627 178.908 177.300 -0.032 0.000 1.157 266 P CA 1.900 65.002 63.100 0.004 0.000 0.880 266 P CB -0.273 31.398 31.700 -0.047 0.000 0.791 267 T N -1.310 113.200 114.554 -0.073 0.000 2.881 267 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 267 T C 1.517 176.205 174.700 -0.020 0.000 1.068 267 T CA 0.770 62.816 62.100 -0.091 0.000 1.131 267 T CB -0.828 67.951 68.868 -0.147 0.000 0.871 267 T HN -0.035 nan 8.240 nan 0.000 0.479 268 L N 0.433 121.674 121.223 0.030 0.000 2.549 268 L HA 0.115 4.455 4.340 -0.000 0.000 0.229 268 L C 2.776 179.717 176.870 0.119 0.000 1.158 268 L CA 0.687 55.573 54.840 0.077 0.000 0.842 268 L CB -0.741 41.390 42.059 0.120 0.000 0.952 268 L HN 0.351 nan 8.230 nan 0.000 0.452 269 G N -0.141 108.739 108.800 0.133 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 1.605 176.640 174.900 0.226 0.000 1.115 269 G CA 0.240 45.478 45.100 0.230 0.000 0.757 269 G HN 0.159 nan 8.290 nan 0.000 0.560 270 M N 0.374 120.034 119.600 0.099 0.000 2.279 270 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 270 M C 2.086 178.393 176.300 0.011 0.000 1.062 270 M CA 0.981 56.307 55.300 0.043 0.000 1.099 270 M CB -0.485 32.105 32.600 -0.018 0.000 1.394 270 M HN 0.228 nan 8.290 nan 0.000 0.426 271 K N 0.148 120.578 120.400 0.050 0.000 2.555 271 K HA 0.139 4.459 4.320 -0.000 0.000 0.193 271 K C 0.379 177.017 176.600 0.063 0.000 1.032 271 K CA 0.462 56.786 56.287 0.062 0.000 1.004 271 K CB 0.119 32.693 32.500 0.124 0.000 0.804 271 K HN 0.333 nan 8.250 nan 0.000 0.496 272 I N 1.323 121.892 120.570 -0.003 0.000 2.404 272 I HA 0.130 4.300 4.170 -0.000 0.000 0.293 272 I C 0.099 176.046 176.117 -0.284 0.000 0.992 272 I CA -0.746 60.459 61.300 -0.158 0.000 1.149 272 I CB 1.325 39.087 38.000 -0.397 0.000 1.315 272 I HN 0.037 nan 8.210 nan 0.000 0.446 273 H N 6.161 125.122 119.070 -0.182 0.000 2.562 273 H HA 0.335 4.891 4.556 -0.000 0.000 0.314 273 H C -1.075 174.150 175.328 -0.171 0.000 1.079 273 H CA -0.161 55.878 56.048 -0.014 0.000 1.349 273 H CB 1.119 30.963 29.762 0.137 0.000 1.432 273 H HN 0.328 nan 8.280 nan 0.000 0.479 274 F N 1.979 122.021 119.950 0.153 0.000 2.443 274 F HA 0.164 4.691 4.527 -0.000 0.000 0.335 274 F C 0.621 176.454 175.800 0.055 0.000 1.104 274 F CA -0.706 57.314 58.000 0.034 0.000 1.013 274 F CB 1.327 40.337 39.000 0.017 0.000 1.136 274 F HN 0.472 nan 8.300 nan 0.000 0.470 275 N N 4.444 123.217 118.700 0.122 0.000 2.461 275 N HA 0.415 5.155 4.740 -0.000 0.000 0.284 275 N C -3.023 172.527 175.510 0.066 0.000 1.049 275 N CA -2.349 50.770 53.050 0.115 0.000 0.889 275 N CB 2.111 40.690 38.487 0.152 0.000 1.365 275 N HN 0.068 nan 8.380 nan 0.000 0.499 276 P HA 0.306 nan 4.420 nan 0.000 0.274 276 P C -2.641 174.728 177.300 0.116 0.000 1.260 276 P CA -0.964 62.188 63.100 0.087 0.000 0.793 276 P CB -0.370 31.361 31.700 0.052 0.000 1.048 277 P HA 0.086 nan 4.420 nan 0.000 0.269 277 P C 0.103 177.412 177.300 0.015 0.000 1.217 277 P CA 0.207 63.363 63.100 0.094 0.000 0.783 277 P CB 0.177 31.915 31.700 0.063 0.000 0.898 278 L N 3.067 124.249 121.223 -0.068 0.000 2.483 278 L HA 0.118 4.458 4.340 -0.000 0.000 0.275 278 L C -1.667 175.145 176.870 -0.098 0.000 1.220 278 L CA -1.524 53.206 54.840 -0.183 0.000 0.833 278 L CB -0.720 41.141 42.059 -0.331 0.000 1.102 278 L HN 0.297 nan 8.230 nan 0.000 0.490 279 P HA -0.063 nan 4.420 nan 0.000 0.267 279 P C 0.680 177.944 177.300 -0.059 0.000 1.200 279 P CA -0.137 62.926 63.100 -0.062 0.000 0.772 279 P CB 0.459 32.122 31.700 -0.063 0.000 0.855 280 M N 2.190 121.769 119.600 -0.036 0.000 2.103 280 M HA -0.253 4.227 4.480 -0.000 0.000 0.255 280 M C 1.152 177.454 176.300 0.003 0.000 1.074 280 M CA 2.372 57.661 55.300 -0.018 0.000 1.090 280 M CB -0.408 32.184 32.600 -0.013 0.000 1.325 280 M HN 0.175 nan 8.290 nan 0.000 0.403 281 M N -0.305 119.292 119.600 -0.004 0.000 2.132 281 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 281 M C 2.322 178.660 176.300 0.064 0.000 1.065 281 M CA 1.792 57.125 55.300 0.055 0.000 1.122 281 M CB -1.426 31.151 32.600 -0.039 0.000 1.365 281 M HN 0.452 nan 8.290 nan 0.000 0.411 282 R N 0.299 120.766 120.500 -0.055 0.000 2.075 282 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 282 R C 2.014 178.227 176.300 -0.145 0.000 1.126 282 R CA 1.660 57.680 56.100 -0.134 0.000 0.963 282 R CB -0.212 29.958 30.300 -0.216 0.000 0.858 282 R HN 0.326 nan 8.270 nan 0.000 0.435 283 N N 0.517 119.147 118.700 -0.116 0.000 2.060 283 N HA -0.235 4.505 4.740 -0.000 0.000 0.195 283 N C 1.573 177.018 175.510 -0.108 0.000 1.028 283 N CA 1.989 54.978 53.050 -0.101 0.000 0.861 283 N CB 0.010 38.460 38.487 -0.062 0.000 1.029 283 N HN 0.357 nan 8.380 nan 0.000 0.428 284 Q N -1.134 118.611 119.800 -0.092 0.000 2.212 284 Q HA -0.040 4.300 4.340 -0.000 0.000 0.199 284 Q C 1.982 177.736 176.000 -0.411 0.000 0.950 284 Q CA 0.584 56.280 55.803 -0.178 0.000 0.863 284 Q CB -0.117 28.586 28.738 -0.058 0.000 0.944 284 Q HN 0.490 nan 8.270 nan 0.000 0.465 285 M N 1.725 121.083 119.600 -0.402 0.000 2.106 285 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 285 M C 2.005 178.067 176.300 -0.396 0.000 1.068 285 M CA 1.685 56.679 55.300 -0.511 0.000 1.100 285 M CB -0.476 32.005 32.600 -0.198 0.000 1.351 285 M HN 0.303 nan 8.290 nan 0.000 0.404 286 I N -1.550 118.854 120.570 -0.276 0.000 3.334 286 I HA -0.068 4.102 4.170 -0.000 0.000 0.282 286 I C 1.414 177.399 176.117 -0.221 0.000 1.313 286 I CA 1.347 62.513 61.300 -0.223 0.000 1.396 286 I CB -1.013 36.901 38.000 -0.143 0.000 1.054 286 I HN 0.320 nan 8.210 nan 0.000 0.495 287 T N -2.563 111.836 114.554 -0.257 0.000 3.069 287 T HA 0.295 4.645 4.350 -0.000 0.000 0.252 287 T C 1.447 175.973 174.700 -0.290 0.000 1.053 287 T CA -0.257 61.703 62.100 -0.233 0.000 0.964 287 T CB -0.010 68.745 68.868 -0.189 0.000 1.005 287 T HN 0.411 nan 8.240 nan 0.000 0.532 288 R N 0.968 121.234 120.500 -0.390 0.000 2.508 288 R HA 0.330 4.670 4.340 -0.000 0.000 0.300 288 R C -0.150 175.823 176.300 -0.545 0.000 0.970 288 R CA -0.005 55.834 56.100 -0.435 0.000 1.102 288 R CB 1.351 31.335 30.300 -0.525 0.000 1.246 288 R HN 0.427 nan 8.270 nan 0.000 0.539 289 V N -0.711 118.861 119.914 -0.570 0.000 2.383 289 V HA 0.464 4.584 4.120 -0.000 0.000 0.261 289 V C -2.692 173.029 176.094 -0.623 0.000 0.987 289 V CA -2.341 59.500 62.300 -0.765 0.000 0.853 289 V CB 0.736 32.067 31.823 -0.820 0.000 1.095 289 V HN -0.108 nan 8.190 nan 0.000 0.461 290 P HA 0.517 nan 4.420 nan 0.000 0.276 290 P C -0.668 176.300 177.300 -0.553 0.000 1.252 290 P CA -0.373 62.383 63.100 -0.574 0.000 0.802 290 P CB 1.866 33.215 31.700 -0.586 0.000 1.035 291 L N 0.298 121.377 121.223 -0.240 0.000 2.352 291 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 291 L C 1.498 178.419 176.870 0.083 0.000 1.034 291 L CA -0.156 54.644 54.840 -0.066 0.000 0.806 291 L CB 0.470 42.526 42.059 -0.004 0.000 1.244 291 L HN 0.481 nan 8.230 nan 0.000 0.447 292 G N 0.059 108.942 108.800 0.138 0.000 2.631 292 G HA2 0.389 4.349 3.960 -0.000 0.000 0.271 292 G HA3 0.389 4.349 3.960 -0.000 0.000 0.271 292 G C -0.735 174.176 174.900 0.017 0.000 1.302 292 G CA -0.362 44.785 45.100 0.077 0.000 1.002 292 G HN 0.503 nan 8.290 nan 0.000 0.519 293 S N -1.395 114.286 115.700 -0.033 0.000 2.605 293 S HA 0.583 5.053 4.470 -0.000 0.000 0.308 293 S C -1.033 173.565 174.600 -0.004 0.000 1.113 293 S CA -0.499 57.710 58.200 0.015 0.000 1.049 293 S CB 1.684 64.900 63.200 0.026 0.000 1.001 293 S HN 0.835 nan 8.310 nan 0.000 0.480 294 V N 4.851 124.819 119.914 0.090 0.000 3.000 294 V HA 0.570 4.690 4.120 -0.000 0.000 0.300 294 V C -1.958 174.313 176.094 0.296 0.000 1.251 294 V CA -0.752 61.641 62.300 0.154 0.000 0.972 294 V CB 1.779 33.656 31.823 0.089 0.000 1.065 294 V HN 0.877 nan 8.190 nan 0.000 0.431 295 I N 5.224 125.975 120.570 0.302 0.000 2.378 295 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 295 I C -0.231 176.136 176.117 0.416 0.000 0.992 295 I CA -0.623 60.871 61.300 0.324 0.000 1.154 295 I CB 1.715 39.843 38.000 0.213 0.000 1.315 295 I HN 0.515 nan 8.210 nan 0.000 0.448 296 K N 5.911 126.587 120.400 0.460 0.000 2.234 296 K HA 0.583 4.903 4.320 -0.000 0.000 0.277 296 K C -1.454 175.270 176.600 0.207 0.000 1.038 296 K CA -0.312 56.213 56.287 0.397 0.000 0.888 296 K CB 0.948 33.747 32.500 0.499 0.000 1.091 296 K HN 0.703 nan 8.250 nan 0.000 0.467 297 C N 5.319 124.700 119.300 0.135 0.000 2.441 297 C HA 0.576 5.036 4.460 -0.000 0.000 0.318 297 C C -0.868 174.182 174.990 0.099 0.000 1.222 297 C CA -1.080 58.017 59.018 0.132 0.000 1.474 297 C CB 0.079 28.004 27.740 0.308 0.000 2.125 297 C HN 0.731 nan 8.230 nan 0.000 0.479 298 I N 3.061 123.656 120.570 0.041 0.000 2.439 298 I HA 0.417 4.587 4.170 -0.000 0.000 0.285 298 I C -0.280 175.877 176.117 0.067 0.000 1.021 298 I CA -0.141 61.144 61.300 -0.024 0.000 1.091 298 I CB 1.438 39.372 38.000 -0.111 0.000 1.242 298 I HN 0.350 nan 8.210 nan 0.000 0.439 299 V N 6.688 126.631 119.914 0.049 0.000 2.394 299 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 299 V C -0.623 175.313 176.094 -0.263 0.000 1.031 299 V CA -0.680 61.661 62.300 0.067 0.000 0.881 299 V CB 0.814 32.715 31.823 0.130 0.000 0.982 299 V HN 0.408 nan 8.190 nan 0.000 0.451 300 Y N 4.125 124.374 120.300 -0.085 0.000 2.361 300 Y HA 0.671 5.221 4.550 0.000 0.000 0.332 300 Y C -0.259 175.498 175.900 -0.239 0.000 1.101 300 Y CA -0.413 57.681 58.100 -0.011 0.000 1.137 300 Y CB 1.386 39.941 38.460 0.158 0.000 1.207 300 Y HN 0.532 nan 8.280 nan 0.000 0.463 301 Y N -0.085 120.462 120.300 0.411 0.000 2.605 301 Y HA 0.283 4.833 4.550 -0.000 0.000 0.343 301 Y C 1.109 177.152 175.900 0.238 0.000 1.036 301 Y CA -1.409 56.903 58.100 0.353 0.000 1.065 301 Y CB 1.915 40.679 38.460 0.507 0.000 1.288 301 Y HN 0.503 nan 8.280 nan 0.000 0.481 302 K N 0.428 121.042 120.400 0.357 0.000 2.057 302 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 302 K C -0.524 176.148 176.600 0.120 0.000 1.049 302 K CA 1.684 58.077 56.287 0.176 0.000 0.931 302 K CB 0.197 32.773 32.500 0.126 0.000 0.714 302 K HN 0.728 nan 8.250 nan 0.000 0.440 303 E N -0.627 119.661 120.200 0.147 0.000 2.393 303 E HA 0.208 4.558 4.350 -0.000 0.000 0.273 303 E C -2.657 173.814 176.600 -0.215 0.000 0.918 303 E CA -2.334 54.059 56.400 -0.012 0.000 0.773 303 E CB 2.240 31.923 29.700 -0.027 0.000 1.275 303 E HN -0.020 nan 8.360 nan 0.000 0.451 304 P HA 0.033 nan 4.420 nan 0.000 0.230 304 P C 0.285 176.639 177.300 -1.576 0.000 1.791 304 P CA -0.022 62.143 63.100 -1.558 0.000 1.020 304 P CB -0.918 30.175 31.700 -1.010 0.000 1.977 305 F N -0.001 119.395 119.950 -0.924 0.000 2.250 305 F HA -0.111 4.415 4.527 -0.000 0.000 0.301 305 F C 1.756 177.391 175.800 -0.275 0.000 1.077 305 F CA -0.029 57.719 58.000 -0.421 0.000 1.348 305 F CB -1.746 37.135 39.000 -0.198 0.000 1.040 305 F HN 0.126 nan 8.300 nan 0.000 0.509 306 W N 1.387 122.343 121.300 -0.573 0.000 2.374 306 W HA 0.019 4.679 4.660 0.000 0.000 0.288 306 W C 2.029 178.493 176.519 -0.092 0.000 1.218 306 W CA 0.897 58.104 57.345 -0.229 0.000 1.245 306 W CB -1.155 28.105 29.460 -0.334 0.000 1.126 306 W HN -0.137 nan 8.180 nan 0.000 0.545 307 R N 1.261 121.546 120.500 -0.358 0.000 2.120 307 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 307 R C 2.042 178.262 176.300 -0.133 0.000 1.123 307 R CA 1.749 57.741 56.100 -0.181 0.000 0.975 307 R CB -0.459 29.672 30.300 -0.281 0.000 0.866 307 R HN 0.315 nan 8.270 nan 0.000 0.446 308 K N 0.725 121.041 120.400 -0.140 0.000 2.209 308 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 308 K C 1.343 177.876 176.600 -0.112 0.000 1.048 308 K CA 1.034 57.263 56.287 -0.097 0.000 0.940 308 K CB 0.043 32.507 32.500 -0.060 0.000 0.729 308 K HN 0.150 nan 8.250 nan 0.000 0.451 309 K N 0.869 121.175 120.400 -0.158 0.000 2.410 309 K HA -0.021 4.299 4.320 -0.000 0.000 0.200 309 K C -0.497 175.786 176.600 -0.528 0.000 1.023 309 K CA 0.055 56.138 56.287 -0.340 0.000 1.149 309 K CB 0.319 32.570 32.500 -0.414 0.000 0.859 309 K HN 0.009 nan 8.250 nan 0.000 0.514 310 D N 0.263 120.500 120.400 -0.272 0.000 2.800 310 D HA -0.216 4.424 4.640 -0.000 0.000 0.232 310 D C -1.384 174.866 176.300 -0.084 0.000 1.137 310 D CA 0.899 54.801 54.000 -0.162 0.000 0.718 310 D CB -1.398 39.324 40.800 -0.131 0.000 1.084 310 D HN 0.350 nan 8.370 nan 0.000 0.432 311 Y N -0.884 119.454 120.300 0.063 0.000 2.377 311 Y HA 0.325 4.875 4.550 -0.000 0.000 0.339 311 Y C 2.009 177.987 175.900 0.130 0.000 1.011 311 Y CA -0.946 57.192 58.100 0.064 0.000 1.093 311 Y CB 1.312 39.820 38.460 0.079 0.000 1.201 311 Y HN 0.255 nan 8.280 nan 0.000 0.455 312 C N -1.078 118.345 119.300 0.204 0.000 2.514 312 C HA 0.468 4.928 4.460 -0.000 0.000 0.271 312 C C 1.701 176.751 174.990 0.100 0.000 1.399 312 C CA 0.554 59.667 59.018 0.160 0.000 1.765 312 C CB -0.855 26.906 27.740 0.033 0.000 1.893 312 C HN 1.222 nan 8.230 nan 0.000 0.531 313 G N -0.177 108.512 108.800 -0.185 0.000 2.231 313 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.206 313 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.206 313 G C 0.038 174.599 174.900 -0.565 0.000 0.996 313 G CA 0.169 44.836 45.100 -0.722 0.000 0.645 313 G HN 0.555 nan 8.290 nan 0.000 0.498 314 T N 2.403 116.731 114.554 -0.376 0.000 2.779 314 T HA 0.610 4.960 4.350 -0.000 0.000 0.296 314 T C 0.311 174.814 174.700 -0.329 0.000 0.938 314 T CA 0.620 62.485 62.100 -0.393 0.000 1.119 314 T CB 0.787 69.491 68.868 -0.274 0.000 0.891 314 T HN 0.291 nan 8.240 nan 0.000 0.526 315 M N 4.088 123.475 119.600 -0.355 0.000 2.259 315 M HA 0.486 4.966 4.480 -0.000 0.000 0.304 315 M C -0.878 175.443 176.300 0.033 0.000 1.019 315 M CA -0.557 54.658 55.300 -0.142 0.000 0.922 315 M CB 2.181 34.669 32.600 -0.187 0.000 1.600 315 M HN 0.410 nan 8.290 nan 0.000 0.433 316 I N 4.755 125.492 120.570 0.277 0.000 2.354 316 I HA 0.442 4.612 4.170 -0.000 0.000 0.286 316 I C -0.837 175.562 176.117 0.470 0.000 1.007 316 I CA -0.346 61.215 61.300 0.435 0.000 1.167 316 I CB 1.012 39.264 38.000 0.418 0.000 1.320 316 I HN 0.616 nan 8.210 nan 0.000 0.458 317 I N 5.601 126.400 120.570 0.382 0.000 2.390 317 I HA 0.268 4.438 4.170 -0.000 0.000 0.283 317 I C -0.608 175.695 176.117 0.309 0.000 1.016 317 I CA -0.683 60.820 61.300 0.338 0.000 1.151 317 I CB 1.040 39.175 38.000 0.225 0.000 1.293 317 I HN 0.419 nan 8.210 nan 0.000 0.458 318 D N 4.757 125.343 120.400 0.311 0.000 2.357 318 D HA 0.597 5.237 4.640 -0.000 0.000 0.242 318 D C 0.514 176.927 176.300 0.188 0.000 1.153 318 D CA 0.637 54.780 54.000 0.238 0.000 0.918 318 D CB 1.261 42.176 40.800 0.192 0.000 1.181 318 D HN 0.834 nan 8.370 nan 0.000 0.435 319 G N 0.764 109.653 108.800 0.149 0.000 2.587 319 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 319 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 319 G C 0.447 175.420 174.900 0.123 0.000 1.236 319 G CA -0.139 45.035 45.100 0.123 0.000 0.820 319 G HN 0.386 nan 8.290 nan 0.000 0.645 320 E N 0.182 120.448 120.200 0.111 0.000 2.106 320 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 320 E C 2.164 178.828 176.600 0.107 0.000 0.984 320 E CA 2.349 58.825 56.400 0.127 0.000 0.806 320 E CB -0.034 29.735 29.700 0.116 0.000 0.750 320 E HN 0.613 nan 8.360 nan 0.000 0.458 321 E N 0.624 120.878 120.200 0.089 0.000 2.106 321 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 321 E C 0.414 177.050 176.600 0.060 0.000 0.984 321 E CA 0.960 57.402 56.400 0.070 0.000 0.806 321 E CB -0.429 29.310 29.700 0.066 0.000 0.750 321 E HN 0.307 nan 8.360 nan 0.000 0.458 322 A N 2.445 125.311 122.820 0.077 0.000 2.491 322 A HA 0.125 4.445 4.320 -0.000 0.000 0.261 322 A C -1.382 176.234 177.584 0.054 0.000 1.101 322 A CA -1.021 51.056 52.037 0.066 0.000 0.772 322 A CB 0.087 19.149 19.000 0.103 0.000 1.043 322 A HN 0.008 nan 8.150 nan 0.000 0.501 323 P HA -0.048 nan 4.420 nan 0.000 0.218 323 P C 0.238 177.577 177.300 0.064 0.000 1.149 323 P CA 1.002 64.115 63.100 0.021 0.000 0.817 323 P CB 0.090 31.784 31.700 -0.010 0.000 0.785 324 V N 0.199 120.172 119.914 0.099 0.000 2.448 324 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 324 V C 1.172 177.391 176.094 0.209 0.000 1.025 324 V CA -0.143 62.265 62.300 0.181 0.000 0.859 324 V CB 1.311 33.275 31.823 0.234 0.000 0.988 324 V HN -0.022 nan 8.190 nan 0.000 0.431 325 A N 4.491 127.462 122.820 0.251 0.000 2.195 325 A HA 0.301 4.621 4.320 -0.000 0.000 0.210 325 A C 0.176 177.990 177.584 0.384 0.000 1.165 325 A CA 0.608 52.813 52.037 0.279 0.000 0.806 325 A CB 0.147 19.296 19.000 0.248 0.000 0.847 325 A HN 0.770 nan 8.150 nan 0.000 0.482 326 Y N -0.180 120.249 120.300 0.215 0.000 2.442 326 Y HA 0.463 5.013 4.550 0.000 0.000 0.330 326 Y C -0.425 175.534 175.900 0.099 0.000 1.100 326 Y CA -0.462 57.749 58.100 0.184 0.000 1.034 326 Y CB 1.467 40.085 38.460 0.264 0.000 1.285 326 Y HN 0.122 nan 8.280 nan 0.000 0.440 327 T N 3.957 118.173 114.554 -0.563 0.000 2.906 327 T HA 0.871 5.221 4.350 -0.000 0.000 0.295 327 T C -1.512 172.710 174.700 -0.796 0.000 1.075 327 T CA -0.829 60.925 62.100 -0.576 0.000 1.005 327 T CB 1.886 70.414 68.868 -0.567 0.000 1.136 327 T HN 0.614 nan 8.240 nan 0.000 0.498 328 L N 1.051 121.954 121.223 -0.535 0.000 2.409 328 L HA 0.486 4.826 4.340 -0.000 0.000 0.262 328 L C -0.647 176.029 176.870 -0.324 0.000 0.992 328 L CA -1.253 53.346 54.840 -0.401 0.000 0.817 328 L CB 2.240 44.153 42.059 -0.244 0.000 1.350 328 L HN 0.751 nan 8.230 nan 0.000 0.411 329 D N 1.005 121.250 120.400 -0.258 0.000 2.434 329 D HA -0.055 4.585 4.640 -0.000 0.000 0.252 329 D C -0.189 176.127 176.300 0.027 0.000 1.185 329 D CA 0.617 54.546 54.000 -0.120 0.000 0.886 329 D CB 1.126 41.981 40.800 0.092 0.000 1.148 329 D HN 0.496 nan 8.370 nan 0.000 0.483 330 D N 1.908 122.327 120.400 0.032 0.000 2.462 330 D HA 0.069 4.709 4.640 -0.000 0.000 0.221 330 D C -0.302 176.077 176.300 0.131 0.000 1.173 330 D CA -0.138 53.907 54.000 0.076 0.000 0.831 330 D CB 0.377 41.160 40.800 -0.029 0.000 1.001 330 D HN 0.238 nan 8.370 nan 0.000 0.499 331 T N 1.580 116.251 114.554 0.194 0.000 2.946 331 T HA 0.012 4.362 4.350 -0.000 0.000 0.311 331 T C 0.542 175.308 174.700 0.111 0.000 1.063 331 T CA -0.101 62.109 62.100 0.184 0.000 1.139 331 T CB 0.769 69.754 68.868 0.195 0.000 0.994 331 T HN -0.066 nan 8.240 nan 0.000 0.547 332 K N 3.827 124.254 120.400 0.045 0.000 2.380 332 K HA 0.068 4.388 4.320 -0.000 0.000 0.267 332 K C -1.391 175.085 176.600 -0.207 0.000 0.990 332 K CA -1.838 54.373 56.287 -0.127 0.000 0.946 332 K CB 0.150 32.617 32.500 -0.055 0.000 0.937 332 K HN 0.336 nan 8.250 nan 0.000 0.491 333 P HA -0.137 nan 4.420 nan 0.000 0.219 333 P C 0.365 177.591 177.300 -0.123 0.000 1.146 333 P CA 1.355 64.239 63.100 -0.359 0.000 0.808 333 P CB 0.341 31.741 31.700 -0.501 0.000 0.779 334 E N -0.986 119.161 120.200 -0.088 0.000 2.347 334 E HA 0.109 4.459 4.350 -0.000 0.000 0.196 334 E C 1.612 178.205 176.600 -0.012 0.000 1.008 334 E CA 1.091 57.477 56.400 -0.023 0.000 0.852 334 E CB -0.826 28.881 29.700 0.013 0.000 0.783 334 E HN 0.327 nan 8.360 nan 0.000 0.505 335 G N 0.543 109.337 108.800 -0.011 0.000 2.176 335 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.232 335 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.232 335 G C 0.099 174.996 174.900 -0.006 0.000 0.986 335 G CA 0.205 45.297 45.100 -0.013 0.000 0.643 335 G HN 0.360 nan 8.290 nan 0.000 0.522 336 N N -0.622 118.097 118.700 0.031 0.000 2.530 336 N HA 0.530 5.270 4.740 -0.000 0.000 0.283 336 N C 0.520 176.124 175.510 0.157 0.000 1.238 336 N CA -0.851 52.200 53.050 0.002 0.000 0.971 336 N CB -0.008 38.414 38.487 -0.107 0.000 1.195 336 N HN 0.598 nan 8.380 nan 0.000 0.583 337 Y N -2.716 117.614 120.300 0.051 0.000 3.108 337 Y HA -0.173 4.377 4.550 -0.000 0.000 0.208 337 Y C 0.613 176.648 175.900 0.225 0.000 1.245 337 Y CA 0.312 58.496 58.100 0.140 0.000 1.171 337 Y CB -2.356 36.150 38.460 0.077 0.000 1.331 337 Y HN 0.752 nan 8.280 nan 0.000 0.534 338 A N 0.318 123.297 122.820 0.265 0.000 2.565 338 A HA 0.563 4.883 4.320 -0.000 0.000 0.237 338 A C 0.743 178.567 177.584 0.401 0.000 1.053 338 A CA 0.625 52.830 52.037 0.280 0.000 0.755 338 A CB 0.118 19.212 19.000 0.156 0.000 0.980 338 A HN 1.524 nan 8.150 nan 0.000 0.506 339 A N 2.349 125.413 122.820 0.406 0.000 2.605 339 A HA 0.621 4.941 4.320 -0.000 0.000 0.294 339 A C -1.043 176.544 177.584 0.004 0.000 1.062 339 A CA -0.528 51.562 52.037 0.090 0.000 0.682 339 A CB 0.959 19.672 19.000 -0.478 0.000 1.278 339 A HN 0.714 nan 8.150 nan 0.000 0.410 340 I N 2.546 123.014 120.570 -0.169 0.000 2.389 340 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 340 I C -0.225 175.736 176.117 -0.261 0.000 0.999 340 I CA -0.386 60.676 61.300 -0.398 0.000 1.129 340 I CB 1.646 39.261 38.000 -0.642 0.000 1.288 340 I HN 0.756 nan 8.210 nan 0.000 0.444 341 M N 5.777 125.219 119.600 -0.264 0.000 2.209 341 M HA 0.606 5.086 4.480 -0.000 0.000 0.355 341 M C -0.343 175.807 176.300 -0.250 0.000 1.171 341 M CA -0.171 55.007 55.300 -0.205 0.000 1.069 341 M CB 1.153 33.652 32.600 -0.167 0.000 1.622 341 M HN 0.693 nan 8.290 nan 0.000 0.459 342 G N 4.418 113.131 108.800 -0.145 0.000 2.563 342 G HA2 0.687 4.647 3.960 -0.000 0.000 0.302 342 G HA3 0.687 4.647 3.960 -0.000 0.000 0.302 342 G C -1.913 172.941 174.900 -0.076 0.000 1.301 342 G CA -0.543 44.517 45.100 -0.067 0.000 0.965 342 G HN 0.660 nan 8.290 nan 0.000 0.480 343 F N 0.604 120.706 119.950 0.252 0.000 2.420 343 F HA 0.493 5.020 4.527 0.000 0.000 0.342 343 F C 0.552 176.473 175.800 0.202 0.000 1.113 343 F CA -0.707 57.447 58.000 0.256 0.000 1.059 343 F CB 2.112 41.296 39.000 0.307 0.000 1.128 343 F HN 0.050 nan 8.300 nan 0.000 0.475 344 I N 5.225 126.015 120.570 0.366 0.000 2.304 344 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 344 I C -0.695 175.520 176.117 0.164 0.000 1.018 344 I CA -0.332 61.096 61.300 0.213 0.000 1.260 344 I CB 0.887 38.979 38.000 0.153 0.000 1.390 344 I HN 0.387 nan 8.210 nan 0.000 0.475 345 L N 6.455 127.731 121.223 0.087 0.000 2.317 345 L HA 0.712 5.052 4.340 -0.000 0.000 0.281 345 L C 0.923 177.757 176.870 -0.059 0.000 1.024 345 L CA -0.188 54.664 54.840 0.020 0.000 0.810 345 L CB 1.565 43.643 42.059 0.032 0.000 1.240 345 L HN 0.914 nan 8.230 nan 0.000 0.427 346 A N 2.124 124.905 122.820 -0.066 0.000 5.308 346 A HA -0.363 3.957 4.320 -0.000 0.000 0.321 346 A C 1.673 179.245 177.584 -0.020 0.000 1.849 346 A CA 1.522 53.524 52.037 -0.058 0.000 0.713 346 A CB -1.592 17.370 19.000 -0.063 0.000 1.360 346 A HN 1.082 nan 8.150 nan 0.000 0.384 347 H N 0.980 120.040 119.070 -0.016 0.000 2.456 347 H HA -0.026 4.530 4.556 0.000 0.000 0.296 347 H C 1.664 177.010 175.328 0.030 0.000 1.079 347 H CA 1.808 57.864 56.048 0.013 0.000 1.322 347 H CB -0.370 29.407 29.762 0.025 0.000 1.388 347 H HN 0.736 nan 8.280 nan 0.000 0.538 348 K N 0.717 120.770 120.400 -0.579 0.000 2.211 348 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 348 K C 2.559 179.102 176.600 -0.095 0.000 1.050 348 K CA 0.881 56.961 56.287 -0.345 0.000 0.945 348 K CB 0.049 32.360 32.500 -0.315 0.000 0.732 348 K HN 0.333 nan 8.250 nan 0.000 0.451 349 A N 1.453 124.246 122.820 -0.045 0.000 1.898 349 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 349 A C 2.073 179.677 177.584 0.034 0.000 1.181 349 A CA 1.305 53.359 52.037 0.029 0.000 0.620 349 A CB -0.265 18.768 19.000 0.055 0.000 0.819 349 A HN 0.113 nan 8.150 nan 0.000 0.442 350 R N -0.189 120.331 120.500 0.032 0.000 2.066 350 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 350 R C 2.337 178.664 176.300 0.044 0.000 1.131 350 R CA 1.753 57.881 56.100 0.046 0.000 0.955 350 R CB -0.300 30.039 30.300 0.065 0.000 0.851 350 R HN 0.611 nan 8.270 nan 0.000 0.432 351 K N 0.569 120.996 120.400 0.044 0.000 2.026 351 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 351 K C 1.558 178.178 176.600 0.032 0.000 1.048 351 K CA 1.345 57.661 56.287 0.048 0.000 0.929 351 K CB 0.000 32.539 32.500 0.065 0.000 0.713 351 K HN 0.171 nan 8.250 nan 0.000 0.439 352 L N 0.321 121.558 121.223 0.023 0.000 2.558 352 L HA 0.104 4.444 4.340 -0.000 0.000 0.225 352 L C 2.222 179.113 176.870 0.035 0.000 1.128 352 L CA 0.213 55.068 54.840 0.025 0.000 0.868 352 L CB -0.059 42.013 42.059 0.022 0.000 1.006 352 L HN 0.193 nan 8.230 nan 0.000 0.454 353 A N 0.595 123.438 122.820 0.037 0.000 2.070 353 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 353 A C 2.326 179.928 177.584 0.030 0.000 1.159 353 A CA 1.030 53.090 52.037 0.038 0.000 0.656 353 A CB -0.345 18.677 19.000 0.037 0.000 0.800 353 A HN 0.366 nan 8.150 nan 0.000 0.453 354 R N -0.589 119.927 120.500 0.027 0.000 2.148 354 R HA 0.074 4.414 4.340 -0.000 0.000 0.227 354 R C 0.250 176.562 176.300 0.020 0.000 1.103 354 R CA 0.279 56.392 56.100 0.021 0.000 0.983 354 R CB -0.473 29.839 30.300 0.021 0.000 0.874 354 R HN 0.439 nan 8.270 nan 0.000 0.451 355 L N 0.687 121.923 121.223 0.022 0.000 2.475 355 L HA 0.111 4.451 4.340 -0.000 0.000 0.253 355 L C 1.038 177.922 176.870 0.024 0.000 1.198 355 L CA -0.481 54.370 54.840 0.019 0.000 0.814 355 L CB 0.398 42.466 42.059 0.015 0.000 1.134 355 L HN 0.126 nan 8.230 nan 0.000 0.478 356 T N -2.922 111.644 114.554 0.021 0.000 2.849 356 T HA 0.129 4.479 4.350 -0.000 0.000 0.284 356 T C 0.864 175.592 174.700 0.046 0.000 1.004 356 T CA -0.699 61.418 62.100 0.028 0.000 1.021 356 T CB 1.326 70.206 68.868 0.020 0.000 1.013 356 T HN 0.660 nan 8.240 nan 0.000 0.527 357 K N 0.343 120.786 120.400 0.072 0.000 2.074 357 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 357 K C 1.907 178.563 176.600 0.093 0.000 1.048 357 K CA 1.948 58.322 56.287 0.145 0.000 0.926 357 K CB -0.205 32.387 32.500 0.154 0.000 0.713 357 K HN 0.691 nan 8.250 nan 0.000 0.444 358 E N 0.708 120.929 120.200 0.035 0.000 2.110 358 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 358 E C 1.807 178.368 176.600 -0.065 0.000 0.988 358 E CA 1.421 57.806 56.400 -0.025 0.000 0.804 358 E CB 0.015 29.711 29.700 -0.008 0.000 0.745 358 E HN 0.407 nan 8.360 nan 0.000 0.458 359 E N 0.187 120.365 120.200 -0.036 0.000 2.072 359 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 359 E C 2.132 178.690 176.600 -0.071 0.000 0.985 359 E CA 0.706 57.080 56.400 -0.044 0.000 0.801 359 E CB -0.015 29.674 29.700 -0.018 0.000 0.750 359 E HN 0.123 nan 8.360 nan 0.000 0.452 360 R N 0.279 120.743 120.500 -0.059 0.000 2.075 360 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 360 R C 2.466 178.619 176.300 -0.245 0.000 1.126 360 R CA 0.801 56.854 56.100 -0.078 0.000 0.963 360 R CB -0.346 29.978 30.300 0.041 0.000 0.858 360 R HN 0.122 nan 8.270 nan 0.000 0.435 361 L N 1.812 122.776 121.223 -0.431 0.000 2.012 361 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 361 L C 2.216 178.870 176.870 -0.360 0.000 1.073 361 L CA 1.906 56.336 54.840 -0.683 0.000 0.748 361 L CB -0.472 41.142 42.059 -0.741 0.000 0.891 361 L HN 0.010 nan 8.230 nan 0.000 0.431 362 K N -0.503 119.763 120.400 -0.224 0.000 2.032 362 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 362 K C 2.188 178.698 176.600 -0.150 0.000 1.048 362 K CA 1.825 58.025 56.287 -0.145 0.000 0.927 362 K CB -0.107 32.338 32.500 -0.093 0.000 0.712 362 K HN 0.342 nan 8.250 nan 0.000 0.441 363 K N 0.167 120.475 120.400 -0.152 0.000 2.057 363 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 363 K C 2.127 178.586 176.600 -0.234 0.000 1.049 363 K CA 1.189 57.389 56.287 -0.144 0.000 0.931 363 K CB -0.114 32.324 32.500 -0.103 0.000 0.714 363 K HN 0.053 nan 8.250 nan 0.000 0.440 364 L N 0.833 121.858 121.223 -0.330 0.000 2.027 364 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 364 L C 2.475 178.886 176.870 -0.766 0.000 1.074 364 L CA 1.509 55.973 54.840 -0.627 0.000 0.745 364 L CB -0.757 40.967 42.059 -0.559 0.000 0.898 364 L HN 0.232 nan 8.230 nan 0.000 0.433 365 C N -0.618 118.463 119.300 -0.365 0.000 2.413 365 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 365 C C 2.652 177.608 174.990 -0.057 0.000 1.248 365 C CA 0.656 59.616 59.018 -0.096 0.000 1.742 365 C CB -0.793 26.949 27.740 0.004 0.000 2.017 365 C HN 0.552 nan 8.230 nan 0.000 0.481 366 E N 0.246 120.386 120.200 -0.101 0.000 2.106 366 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 366 E C 2.001 178.564 176.600 -0.061 0.000 0.984 366 E CA 0.907 57.273 56.400 -0.055 0.000 0.806 366 E CB -0.283 29.385 29.700 -0.054 0.000 0.750 366 E HN 0.516 nan 8.360 nan 0.000 0.458 367 L N 0.458 121.597 121.223 -0.140 0.000 2.017 367 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 367 L C 2.028 178.905 176.870 0.012 0.000 1.073 367 L CA 1.759 56.533 54.840 -0.111 0.000 0.745 367 L CB -0.628 41.326 42.059 -0.175 0.000 0.894 367 L HN 0.197 nan 8.230 nan 0.000 0.432 368 Y N -0.790 119.496 120.300 -0.024 0.000 2.224 368 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 368 Y C 2.527 178.438 175.900 0.018 0.000 1.146 368 Y CA 0.273 58.364 58.100 -0.015 0.000 1.182 368 Y CB -0.509 37.980 38.460 0.049 0.000 0.983 368 Y HN 0.385 nan 8.280 nan 0.000 0.524 369 A N 0.568 123.497 122.820 0.183 0.000 1.902 369 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 369 A C 2.124 179.756 177.584 0.080 0.000 1.181 369 A CA 1.987 54.095 52.037 0.118 0.000 0.623 369 A CB -0.590 18.450 19.000 0.067 0.000 0.818 369 A HN 0.389 nan 8.150 nan 0.000 0.443 370 K N -0.555 119.868 120.400 0.039 0.000 2.002 370 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 370 K C 1.840 178.433 176.600 -0.012 0.000 1.048 370 K CA 1.695 57.990 56.287 0.014 0.000 0.930 370 K CB -0.259 32.228 32.500 -0.022 0.000 0.714 370 K HN 0.234 nan 8.250 nan 0.000 0.438 371 V N 1.345 121.190 119.914 -0.115 0.000 2.358 371 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 371 V C 2.073 178.121 176.094 -0.077 0.000 1.047 371 V CA 1.469 63.658 62.300 -0.185 0.000 1.035 371 V CB -0.315 31.351 31.823 -0.262 0.000 0.658 371 V HN 0.308 nan 8.190 nan 0.000 0.452 372 L N 0.499 121.716 121.223 -0.010 0.000 2.554 372 L HA 0.271 4.611 4.340 -0.000 0.000 0.226 372 L C 1.634 178.647 176.870 0.239 0.000 1.137 372 L CA 0.728 55.610 54.840 0.070 0.000 0.863 372 L CB -0.746 41.439 42.059 0.209 0.000 0.985 372 L HN 0.549 nan 8.230 nan 0.000 0.451 373 G N 0.832 109.728 108.800 0.160 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 -0.081 174.912 174.900 0.154 0.000 1.040 373 G CA 0.479 45.672 45.100 0.154 0.000 1.004 373 G HN 0.345 nan 8.290 nan 0.000 0.509 374 S N -0.842 114.941 115.700 0.138 0.000 2.677 374 S HA 0.445 4.915 4.470 -0.000 0.000 0.283 374 S C 1.111 175.687 174.600 -0.040 0.000 1.159 374 S CA -0.774 57.468 58.200 0.071 0.000 1.001 374 S CB 1.715 65.027 63.200 0.187 0.000 1.032 374 S HN 0.243 nan 8.310 nan 0.000 0.487 375 L N 1.936 123.112 121.223 -0.079 0.000 2.362 375 L HA -0.085 4.255 4.340 -0.000 0.000 0.219 375 L C 2.100 178.857 176.870 -0.187 0.000 1.134 375 L CA 1.165 55.951 54.840 -0.090 0.000 0.807 375 L CB -0.347 41.674 42.059 -0.063 0.000 0.927 375 L HN 0.703 nan 8.230 nan 0.000 0.447 376 E N 0.486 120.439 120.200 -0.411 0.000 2.204 376 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 376 E C 2.232 178.435 176.600 -0.662 0.000 0.990 376 E CA 0.953 56.939 56.400 -0.691 0.000 0.821 376 E CB -0.121 28.808 29.700 -1.285 0.000 0.750 376 E HN 0.506 nan 8.360 nan 0.000 0.477 377 A N 0.790 123.330 122.820 -0.466 0.000 2.172 377 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 377 A C 1.896 179.652 177.584 0.287 0.000 1.154 377 A CA 0.708 52.768 52.037 0.039 0.000 0.701 377 A CB -0.306 18.859 19.000 0.275 0.000 0.789 377 A HN 0.164 nan 8.150 nan 0.000 0.465 378 L N -1.188 120.104 121.223 0.114 0.000 2.591 378 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 378 L C 0.319 177.267 176.870 0.130 0.000 1.133 378 L CA 0.242 55.148 54.840 0.109 0.000 0.880 378 L CB 0.023 42.103 42.059 0.036 0.000 1.033 378 L HN 0.192 nan 8.230 nan 0.000 0.450 379 E N 0.819 121.144 120.200 0.209 0.000 3.312 379 E HA 0.186 4.536 4.350 -0.000 0.000 0.215 379 E C -2.253 174.517 176.600 0.282 0.000 1.160 379 E CA -1.765 54.748 56.400 0.187 0.000 1.267 379 E CB 0.557 30.325 29.700 0.112 0.000 1.361 379 E HN 0.051 nan 8.360 nan 0.000 0.433 380 P HA -0.032 nan 4.420 nan 0.000 0.271 380 P C 0.763 178.094 177.300 0.051 0.000 1.218 380 P CA -0.067 63.000 63.100 -0.055 0.000 0.780 380 P CB 1.609 33.233 31.700 -0.128 0.000 0.901 381 V N -1.810 118.152 119.914 0.079 0.000 3.565 381 V HA 0.312 4.432 4.120 -0.000 0.000 0.260 381 V C 0.470 176.691 176.094 0.212 0.000 1.231 381 V CA 0.776 63.160 62.300 0.140 0.000 1.100 381 V CB -1.193 30.718 31.823 0.146 0.000 0.807 381 V HN 0.679 nan 8.190 nan 0.000 0.454 382 H N -1.169 117.968 119.070 0.111 0.000 2.987 382 H HA 0.612 5.168 4.556 -0.000 0.000 0.316 382 H C -2.312 173.219 175.328 0.339 0.000 1.380 382 H CA -0.695 55.434 56.048 0.135 0.000 1.160 382 H CB 1.898 31.633 29.762 -0.044 0.000 1.865 382 H HN 0.149 nan 8.280 nan 0.000 0.521 383 Y N 1.650 121.666 120.300 -0.472 0.000 2.479 383 Y HA 0.506 5.056 4.550 -0.000 0.000 0.338 383 Y C -1.697 174.078 175.900 -0.210 0.000 1.055 383 Y CA -0.647 57.368 58.100 -0.143 0.000 1.023 383 Y CB 1.723 40.117 38.460 -0.110 0.000 1.287 383 Y HN 0.621 nan 8.280 nan 0.000 0.447 384 E N 4.464 124.413 120.200 -0.418 0.000 2.317 384 E HA 0.427 4.777 4.350 -0.000 0.000 0.270 384 E C -1.432 174.810 176.600 -0.597 0.000 0.885 384 E CA -0.778 55.389 56.400 -0.388 0.000 0.760 384 E CB 2.736 32.443 29.700 0.012 0.000 1.227 384 E HN 0.782 nan 8.360 nan 0.000 0.434 385 E N 0.422 120.376 120.200 -0.411 0.000 2.430 385 E HA 0.663 5.013 4.350 -0.000 0.000 0.279 385 E C -1.204 175.356 176.600 -0.067 0.000 1.003 385 E CA -1.067 55.194 56.400 -0.231 0.000 0.801 385 E CB 2.598 32.138 29.700 -0.267 0.000 1.313 385 E HN 0.175 nan 8.360 nan 0.000 0.459 386 K N 1.304 121.717 120.400 0.022 0.000 2.581 386 K HA 0.264 4.584 4.320 -0.000 0.000 0.249 386 K C -1.634 174.950 176.600 -0.028 0.000 0.966 386 K CA -0.725 55.518 56.287 -0.073 0.000 0.811 386 K CB 1.467 33.890 32.500 -0.129 0.000 1.223 386 K HN 0.521 nan 8.250 nan 0.000 0.438 387 N N 4.053 122.697 118.700 -0.094 0.000 2.437 387 N HA 0.108 4.848 4.740 -0.000 0.000 0.243 387 N C -0.257 175.215 175.510 -0.064 0.000 1.041 387 N CA -0.377 52.680 53.050 0.012 0.000 0.940 387 N CB 0.343 38.843 38.487 0.021 0.000 1.133 387 N HN 0.641 nan 8.380 nan 0.000 0.506 388 W N 2.183 123.534 121.300 0.085 0.000 2.800 388 W HA 0.072 4.732 4.660 -0.000 0.000 0.249 388 W C 1.916 178.462 176.519 0.045 0.000 1.294 388 W CA -0.122 57.268 57.345 0.074 0.000 1.402 388 W CB -0.134 29.389 29.460 0.105 0.000 1.126 388 W HN 0.588 nan 8.180 nan 0.000 0.652 389 C N 0.472 119.889 119.300 0.195 0.000 2.432 389 C HA -0.155 4.305 4.460 -0.000 0.000 0.282 389 C C 2.328 177.353 174.990 0.057 0.000 1.388 389 C CA 1.409 60.495 59.018 0.115 0.000 1.777 389 C CB -1.453 26.337 27.740 0.084 0.000 1.882 389 C HN 0.494 nan 8.230 nan 0.000 0.520 390 E N 0.743 120.956 120.200 0.021 0.000 2.489 390 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 390 E C -0.063 176.514 176.600 -0.038 0.000 1.057 390 E CA 0.337 56.723 56.400 -0.023 0.000 0.866 390 E CB -0.173 29.498 29.700 -0.049 0.000 0.916 390 E HN 0.500 nan 8.360 nan 0.000 0.500 391 E N 2.215 122.411 120.200 -0.005 0.000 2.129 391 E HA -0.018 4.332 4.350 -0.000 0.000 0.283 391 E C 0.477 177.065 176.600 -0.019 0.000 1.080 391 E CA 0.015 56.416 56.400 0.002 0.000 0.867 391 E CB 1.499 31.258 29.700 0.099 0.000 1.056 391 E HN 0.353 nan 8.360 nan 0.000 0.404 392 Q N 2.972 122.698 119.800 -0.124 0.000 2.135 392 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 392 Q C 0.366 176.137 176.000 -0.382 0.000 0.981 392 Q CA 1.625 57.238 55.803 -0.317 0.000 0.856 392 Q CB 0.091 28.508 28.738 -0.536 0.000 0.902 392 Q HN 0.598 nan 8.270 nan 0.000 0.425 393 Y N -0.928 119.405 120.300 0.055 0.000 2.524 393 Y HA 0.248 4.798 4.550 -0.000 0.000 0.266 393 Y C 1.475 177.439 175.900 0.107 0.000 1.180 393 Y CA -0.263 57.879 58.100 0.070 0.000 1.244 393 Y CB 0.893 39.387 38.460 0.057 0.000 1.125 393 Y HN 0.080 nan 8.280 nan 0.000 0.524 394 S N -1.647 114.182 115.700 0.215 0.000 2.931 394 S HA 0.288 4.758 4.470 -0.000 0.000 0.251 394 S C 1.840 176.524 174.600 0.140 0.000 1.078 394 S CA 0.539 58.871 58.200 0.220 0.000 0.835 394 S CB 0.622 64.035 63.200 0.354 0.000 0.798 394 S HN 0.525 nan 8.310 nan 0.000 0.495 395 G N 1.047 109.911 108.800 0.108 0.000 2.225 395 G HA2 0.098 4.058 3.960 -0.000 0.000 0.254 395 G HA3 0.098 4.058 3.960 -0.000 0.000 0.254 395 G C 0.488 175.434 174.900 0.077 0.000 0.988 395 G CA 0.060 45.192 45.100 0.054 0.000 0.625 395 G HN 1.381 nan 8.290 nan 0.000 0.527 396 G N -2.345 106.543 108.800 0.147 0.000 2.350 396 G HA2 0.514 4.474 3.960 -0.000 0.000 0.282 396 G HA3 0.514 4.474 3.960 -0.000 0.000 0.282 396 G C -0.958 174.033 174.900 0.151 0.000 1.314 396 G CA 0.308 45.504 45.100 0.160 0.000 0.915 396 G HN 1.475 nan 8.290 nan 0.000 0.499 397 C N -1.630 117.714 119.300 0.074 0.000 3.311 397 C HA 0.604 5.064 4.460 -0.000 0.000 0.325 397 C C 0.740 175.620 174.990 -0.183 0.000 1.352 397 C CA -0.635 58.360 59.018 -0.038 0.000 1.308 397 C CB 0.818 28.438 27.740 -0.200 0.000 1.619 397 C HN 0.725 nan 8.230 nan 0.000 0.469 398 Y N 0.565 120.802 120.300 -0.106 0.000 2.395 398 Y HA 0.238 4.788 4.550 -0.000 0.000 0.293 398 Y C 1.560 177.429 175.900 -0.051 0.000 1.123 398 Y CA 1.069 59.076 58.100 -0.155 0.000 1.227 398 Y CB -0.451 37.890 38.460 -0.197 0.000 1.012 398 Y HN 0.683 nan 8.280 nan 0.000 0.552 399 T N -1.888 112.748 114.554 0.136 0.000 2.665 399 T HA 0.339 4.689 4.350 -0.000 0.000 0.303 399 T C -0.837 173.964 174.700 0.168 0.000 1.334 399 T CA -0.698 61.523 62.100 0.201 0.000 1.011 399 T CB 1.017 70.101 68.868 0.360 0.000 1.573 399 T HN -0.154 nan 8.240 nan 0.000 0.492 400 T N 2.649 117.316 114.554 0.189 0.000 2.851 400 T HA 0.477 4.827 4.350 -0.000 0.000 0.298 400 T C -0.785 173.929 174.700 0.024 0.000 0.977 400 T CA 0.046 62.160 62.100 0.023 0.000 1.126 400 T CB -0.387 68.486 68.868 0.009 0.000 0.916 400 T HN 0.467 nan 8.240 nan 0.000 0.529 401 Y N 0.936 121.019 120.300 -0.363 0.000 2.496 401 Y HA 0.791 5.341 4.550 -0.000 0.000 0.331 401 Y C -1.255 174.072 175.900 -0.955 0.000 1.140 401 Y CA -2.261 55.265 58.100 -0.958 0.000 1.166 401 Y CB 0.769 38.826 38.460 -0.671 0.000 1.249 401 Y HN 0.402 nan 8.280 nan 0.000 0.479 402 F N 3.213 122.392 119.950 -1.284 0.000 2.375 402 F HA 0.561 5.088 4.527 -0.000 0.000 0.361 402 F C -2.310 173.391 175.800 -0.167 0.000 1.117 402 F CA -2.763 54.861 58.000 -0.626 0.000 1.037 402 F CB 1.454 40.128 39.000 -0.544 0.000 1.192 402 F HN 0.360 nan 8.300 nan 0.000 0.452 403 P HA 0.086 nan 4.420 nan 0.000 0.271 403 P C -2.519 174.876 177.300 0.158 0.000 1.244 403 P CA -1.043 62.134 63.100 0.129 0.000 0.793 403 P CB -0.163 31.562 31.700 0.043 0.000 0.984 404 P HA -0.040 nan 4.420 nan 0.000 0.264 404 P C 0.879 178.267 177.300 0.147 0.000 1.183 404 P CA 1.249 64.446 63.100 0.162 0.000 0.763 404 P CB -0.040 31.737 31.700 0.130 0.000 0.807 405 G N 2.859 111.761 108.800 0.169 0.000 2.217 405 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G C 0.803 175.818 174.900 0.192 0.000 0.990 405 G CA 0.081 45.272 45.100 0.153 0.000 0.627 405 G HN 0.433 nan 8.290 nan 0.000 0.522 406 I N 0.163 120.876 120.570 0.239 0.000 2.400 406 I HA 0.160 4.330 4.170 -0.000 0.000 0.248 406 I C 2.627 178.987 176.117 0.405 0.000 1.109 406 I CA 1.270 62.765 61.300 0.326 0.000 1.425 406 I CB -1.169 36.941 38.000 0.184 0.000 1.094 406 I HN 0.271 nan 8.210 nan 0.000 0.425 407 L N 1.194 122.640 121.223 0.371 0.000 2.046 407 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 407 L C 2.665 179.617 176.870 0.137 0.000 1.077 407 L CA 2.525 57.462 54.840 0.162 0.000 0.747 407 L CB -0.980 41.075 42.059 -0.007 0.000 0.896 407 L HN 0.429 nan 8.230 nan 0.000 0.432 408 T N -4.134 110.509 114.554 0.148 0.000 2.821 408 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 408 T C 1.816 176.485 174.700 -0.053 0.000 1.046 408 T CA 1.042 63.201 62.100 0.097 0.000 1.139 408 T CB -0.367 68.561 68.868 0.100 0.000 0.871 408 T HN 0.350 nan 8.240 nan 0.000 0.454 409 Q N -0.038 119.729 119.800 -0.055 0.000 2.187 409 Q HA 0.100 4.440 4.340 -0.000 0.000 0.199 409 Q C 1.157 176.840 176.000 -0.528 0.000 0.957 409 Q CA 1.216 56.843 55.803 -0.292 0.000 0.857 409 Q CB -0.030 28.533 28.738 -0.292 0.000 0.929 409 Q HN 0.784 nan 8.270 nan 0.000 0.453 410 Y N -1.783 118.451 120.300 -0.110 0.000 2.471 410 Y HA 0.270 4.820 4.550 -0.000 0.000 0.249 410 Y C 2.000 177.780 175.900 -0.200 0.000 1.116 410 Y CA 0.074 58.092 58.100 -0.137 0.000 1.240 410 Y CB 0.231 38.653 38.460 -0.065 0.000 1.251 410 Y HN 0.080 nan 8.280 nan 0.000 0.527 411 G N 1.648 110.361 108.800 -0.145 0.000 2.442 411 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 411 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 411 G C 1.720 176.164 174.900 -0.760 0.000 1.141 411 G CA 1.175 46.098 45.100 -0.296 0.000 0.763 411 G HN 0.443 nan 8.290 nan 0.000 0.554 412 R N 0.223 119.966 120.500 -1.261 0.000 2.237 412 R HA 0.059 4.399 4.340 -0.000 0.000 0.219 412 R C 1.915 177.981 176.300 -0.389 0.000 1.080 412 R CA 1.190 56.650 56.100 -1.066 0.000 0.995 412 R CB -0.598 29.117 30.300 -0.975 0.000 0.875 412 R HN 0.268 nan 8.270 nan 0.000 0.462 413 V N 1.612 121.352 119.914 -0.290 0.000 2.871 413 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 413 V C 2.477 178.469 176.094 -0.170 0.000 1.082 413 V CA 0.970 63.164 62.300 -0.177 0.000 1.105 413 V CB -0.483 31.266 31.823 -0.124 0.000 0.713 413 V HN 0.254 nan 8.190 nan 0.000 0.473 414 L N 0.890 122.050 121.223 -0.106 0.000 1.997 414 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 414 L C 2.449 179.264 176.870 -0.093 0.000 1.074 414 L CA 2.339 57.139 54.840 -0.067 0.000 0.763 414 L CB -0.253 41.867 42.059 0.102 0.000 0.890 414 L HN 0.467 nan 8.230 nan 0.000 0.434 415 R N -0.707 119.837 120.500 0.073 0.000 2.546 415 R HA 0.149 4.489 4.340 -0.000 0.000 0.320 415 R C 0.476 176.924 176.300 0.246 0.000 1.021 415 R CA -0.224 56.007 56.100 0.218 0.000 1.088 415 R CB -0.058 30.427 30.300 0.310 0.000 1.278 415 R HN 0.234 nan 8.270 nan 0.000 0.557 416 Q N 2.683 122.551 119.800 0.114 0.000 2.286 416 Q HA 0.198 4.538 4.340 -0.000 0.000 0.267 416 Q C -2.107 174.008 176.000 0.191 0.000 1.028 416 Q CA -2.105 53.764 55.803 0.110 0.000 0.901 416 Q CB 0.856 29.602 28.738 0.012 0.000 1.183 416 Q HN 0.030 nan 8.270 nan 0.000 0.392 417 P HA -0.045 nan 4.420 nan 0.000 0.267 417 P C -1.249 176.040 177.300 -0.019 0.000 1.200 417 P CA -0.049 62.981 63.100 -0.116 0.000 0.772 417 P CB 0.658 32.022 31.700 -0.560 0.000 0.855 418 V N 3.357 123.268 119.914 -0.006 0.000 2.275 418 V HA 0.150 4.270 4.120 -0.000 0.000 0.272 418 V C 0.703 176.754 176.094 -0.071 0.000 1.028 418 V CA 0.116 62.416 62.300 -0.001 0.000 0.810 418 V CB 0.007 31.873 31.823 0.072 0.000 1.043 418 V HN 0.771 nan 8.190 nan 0.000 0.453 419 D N 4.041 124.402 120.400 -0.064 0.000 4.372 419 D HA -0.304 4.336 4.640 -0.000 0.000 0.169 419 D C 1.358 177.636 176.300 -0.036 0.000 0.680 419 D CA 2.413 56.394 54.000 -0.033 0.000 1.152 419 D CB -0.271 40.524 40.800 -0.009 0.000 0.585 419 D HN 0.566 nan 8.370 nan 0.000 0.493 420 R N -0.123 120.384 120.500 0.011 0.000 2.432 420 R HA 0.448 4.788 4.340 -0.000 0.000 0.260 420 R C -0.170 176.232 176.300 0.170 0.000 0.935 420 R CA -0.154 56.051 56.100 0.175 0.000 1.080 420 R CB 0.463 30.801 30.300 0.063 0.000 1.155 420 R HN 0.290 nan 8.270 nan 0.000 0.531 421 I N 1.210 121.725 120.570 -0.093 0.000 2.331 421 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 421 I C -0.584 175.183 176.117 -0.583 0.000 0.998 421 I CA -0.645 60.520 61.300 -0.226 0.000 1.267 421 I CB 0.691 38.526 38.000 -0.275 0.000 1.386 421 I HN -0.085 nan 8.210 nan 0.000 0.476 422 Y N 5.245 125.294 120.300 -0.418 0.000 2.528 422 Y HA 0.546 5.096 4.550 -0.000 0.000 0.335 422 Y C -0.557 175.003 175.900 -0.567 0.000 1.093 422 Y CA -0.731 57.152 58.100 -0.362 0.000 1.134 422 Y CB 1.585 39.961 38.460 -0.139 0.000 1.253 422 Y HN 0.280 nan 8.280 nan 0.000 0.478 423 F N 1.240 121.299 119.950 0.181 0.000 2.427 423 F HA 0.708 5.235 4.527 -0.000 0.000 0.348 423 F C 0.406 176.283 175.800 0.128 0.000 1.125 423 F CA -0.593 57.486 58.000 0.132 0.000 0.989 423 F CB 1.114 40.176 39.000 0.103 0.000 1.165 423 F HN 0.603 nan 8.300 nan 0.000 0.442 424 A N 2.328 125.297 122.820 0.249 0.000 3.322 424 A HA 0.949 5.269 4.320 -0.000 0.000 0.201 424 A C 0.412 178.127 177.584 0.219 0.000 1.668 424 A CA -0.376 51.774 52.037 0.187 0.000 0.861 424 A CB -0.106 18.962 19.000 0.113 0.000 1.769 424 A HN 1.489 nan 8.150 nan 0.000 0.578 425 G N -2.538 106.370 108.800 0.181 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 0.431 175.463 174.900 0.219 0.000 1.177 425 G CA 0.618 45.832 45.100 0.191 0.000 0.775 425 G HN 1.550 nan 8.290 nan 0.000 0.613 426 T N 0.242 114.927 114.554 0.219 0.000 2.849 426 T HA -0.110 4.239 4.350 -0.000 0.000 0.270 426 T C 2.106 177.006 174.700 0.332 0.000 1.066 426 T CA 2.674 64.929 62.100 0.258 0.000 1.130 426 T CB -0.177 68.840 68.868 0.249 0.000 0.864 426 T HN 0.628 nan 8.240 nan 0.000 0.481 427 E N 0.495 120.898 120.200 0.339 0.000 2.265 427 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 427 E C 2.218 179.073 176.600 0.425 0.000 0.996 427 E CA 1.522 58.174 56.400 0.421 0.000 0.832 427 E CB -0.193 29.720 29.700 0.356 0.000 0.756 427 E HN 0.718 nan 8.360 nan 0.000 0.491 428 T N -2.678 112.090 114.554 0.357 0.000 3.086 428 T HA 0.455 4.805 4.350 -0.000 0.000 0.250 428 T C 0.817 175.755 174.700 0.397 0.000 1.074 428 T CA 0.007 62.320 62.100 0.354 0.000 0.988 428 T CB 0.204 69.257 68.868 0.308 0.000 0.988 428 T HN 0.096 nan 8.240 nan 0.000 0.530 429 A N 1.734 124.791 122.820 0.396 0.000 2.346 429 A HA 0.544 4.864 4.320 -0.000 0.000 0.252 429 A C 1.486 179.337 177.584 0.445 0.000 1.089 429 A CA 0.141 52.414 52.037 0.393 0.000 0.797 429 A CB 0.323 19.514 19.000 0.318 0.000 1.047 429 A HN 0.519 nan 8.150 nan 0.000 0.494 430 T N -2.641 112.152 114.554 0.398 0.000 3.040 430 T HA 0.245 4.595 4.350 -0.000 0.000 0.266 430 T C 0.209 175.012 174.700 0.172 0.000 1.005 430 T CA 0.585 62.871 62.100 0.310 0.000 0.906 430 T CB -0.362 68.628 68.868 0.203 0.000 1.082 430 T HN 0.755 nan 8.240 nan 0.000 0.531 431 H N -0.943 118.156 119.070 0.048 0.000 2.934 431 H HA 0.268 4.824 4.556 -0.000 0.000 0.340 431 H C -0.983 174.372 175.328 0.045 0.000 1.008 431 H CA -1.027 54.979 56.048 -0.069 0.000 1.317 431 H CB 0.916 30.699 29.762 0.035 0.000 1.670 431 H HN 0.305 nan 8.280 nan 0.000 0.516 432 W N 2.198 123.213 121.300 -0.475 0.000 5.538 432 W HA -0.248 4.412 4.660 0.000 0.000 0.377 432 W C 0.530 176.968 176.519 -0.136 0.000 1.406 432 W CA 0.984 58.031 57.345 -0.497 0.000 0.940 432 W CB -1.738 27.350 29.460 -0.620 0.000 2.536 432 W HN 0.402 nan 8.180 nan 0.000 1.504 433 S N 0.517 116.230 115.700 0.023 0.000 2.558 433 S HA 0.375 4.845 4.470 -0.000 0.000 0.293 433 S C 1.430 176.215 174.600 0.307 0.000 1.292 433 S CA 1.755 60.085 58.200 0.217 0.000 1.063 433 S CB 0.782 64.177 63.200 0.325 0.000 0.831 433 S HN 1.454 nan 8.310 nan 0.000 0.499 434 G N 3.020 112.090 108.800 0.452 0.000 2.232 434 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 434 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 434 G C -0.192 174.852 174.900 0.240 0.000 0.996 434 G CA 0.257 45.645 45.100 0.480 0.000 0.626 434 G HN 0.688 nan 8.290 nan 0.000 0.509 435 Y N -0.370 120.052 120.300 0.204 0.000 2.602 435 Y HA 0.716 5.266 4.550 -0.000 0.000 0.330 435 Y C 2.002 177.953 175.900 0.085 0.000 1.114 435 Y CA -0.743 57.432 58.100 0.126 0.000 1.182 435 Y CB 0.819 39.345 38.460 0.110 0.000 1.305 435 Y HN -0.023 nan 8.280 nan 0.000 0.502 436 M N -0.173 119.547 119.600 0.201 0.000 2.149 436 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 436 M C 1.819 178.190 176.300 0.118 0.000 1.064 436 M CA 1.918 57.298 55.300 0.134 0.000 1.102 436 M CB -0.247 32.426 32.600 0.121 0.000 1.369 436 M HN 0.774 nan 8.290 nan 0.000 0.408 437 E N 0.826 121.075 120.200 0.082 0.000 2.038 437 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 437 E C 1.980 178.650 176.600 0.116 0.000 1.000 437 E CA 2.112 58.525 56.400 0.022 0.000 0.803 437 E CB -0.703 28.882 29.700 -0.193 0.000 0.750 437 E HN 0.424 nan 8.360 nan 0.000 0.448 438 G N 0.102 109.019 108.800 0.195 0.000 2.422 438 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 438 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 438 G C 1.717 176.736 174.900 0.198 0.000 1.146 438 G CA 1.202 46.437 45.100 0.224 0.000 0.769 438 G HN 0.483 nan 8.290 nan 0.000 0.547 439 A N 0.269 123.195 122.820 0.176 0.000 1.883 439 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 439 A C 2.629 180.280 177.584 0.111 0.000 1.186 439 A CA 2.079 54.202 52.037 0.143 0.000 0.624 439 A CB -0.733 18.340 19.000 0.121 0.000 0.822 439 A HN 0.285 nan 8.150 nan 0.000 0.444 440 V N 0.037 120.009 119.914 0.096 0.000 2.295 440 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 440 V C 2.538 178.677 176.094 0.076 0.000 1.049 440 V CA 2.233 64.575 62.300 0.071 0.000 1.024 440 V CB -0.839 31.019 31.823 0.058 0.000 0.648 440 V HN 0.744 nan 8.190 nan 0.000 0.447 441 E N 0.441 120.707 120.200 0.110 0.000 2.049 441 E HA -0.299 4.051 4.350 -0.000 0.000 0.198 441 E C 2.211 178.860 176.600 0.082 0.000 1.007 441 E CA 1.872 58.348 56.400 0.126 0.000 0.809 441 E CB -0.197 29.628 29.700 0.208 0.000 0.749 441 E HN 0.556 nan 8.360 nan 0.000 0.450 442 A N 0.519 123.407 122.820 0.114 0.000 1.929 442 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 442 A C 2.388 179.996 177.584 0.041 0.000 1.176 442 A CA 1.566 53.659 52.037 0.094 0.000 0.628 442 A CB -0.903 18.198 19.000 0.169 0.000 0.816 442 A HN 0.447 nan 8.150 nan 0.000 0.444 443 G N -0.300 108.529 108.800 0.049 0.000 2.404 443 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 443 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 443 G C 1.434 176.322 174.900 -0.020 0.000 1.174 443 G CA 0.951 46.066 45.100 0.024 0.000 0.780 443 G HN 0.639 nan 8.290 nan 0.000 0.537 444 E N -0.219 119.966 120.200 -0.025 0.000 2.107 444 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 444 E C 2.522 179.050 176.600 -0.120 0.000 0.982 444 E CA 0.195 56.563 56.400 -0.053 0.000 0.809 444 E CB -0.097 29.587 29.700 -0.026 0.000 0.756 444 E HN 0.283 nan 8.360 nan 0.000 0.459 445 R N 1.069 121.464 120.500 -0.174 0.000 2.073 445 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 445 R C 2.214 178.338 176.300 -0.293 0.000 1.134 445 R CA 1.376 57.260 56.100 -0.360 0.000 0.952 445 R CB -0.225 29.699 30.300 -0.626 0.000 0.850 445 R HN 0.135 nan 8.270 nan 0.000 0.433 446 A N 0.858 123.578 122.820 -0.166 0.000 1.902 446 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 446 A C 2.389 179.862 177.584 -0.184 0.000 1.181 446 A CA 1.722 53.698 52.037 -0.101 0.000 0.623 446 A CB -0.708 18.294 19.000 0.004 0.000 0.818 446 A HN 0.536 nan 8.150 nan 0.000 0.443 447 A N -0.072 122.657 122.820 -0.152 0.000 1.883 447 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 447 A C 2.253 179.709 177.584 -0.213 0.000 1.186 447 A CA 1.648 53.586 52.037 -0.165 0.000 0.624 447 A CB -0.495 18.445 19.000 -0.100 0.000 0.822 447 A HN 0.557 nan 8.150 nan 0.000 0.444 448 R N -0.500 119.883 120.500 -0.195 0.000 2.115 448 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 448 R C 2.051 178.226 176.300 -0.209 0.000 1.111 448 R CA 1.241 57.233 56.100 -0.180 0.000 0.976 448 R CB -0.290 29.914 30.300 -0.161 0.000 0.870 448 R HN 0.682 nan 8.270 nan 0.000 0.445 449 E N 0.705 120.739 120.200 -0.276 0.000 2.085 449 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 449 E C 1.968 178.244 176.600 -0.540 0.000 0.994 449 E CA 1.187 57.408 56.400 -0.299 0.000 0.801 449 E CB -0.103 29.449 29.700 -0.246 0.000 0.743 449 E HN 0.345 nan 8.360 nan 0.000 0.453 450 I N 0.869 120.986 120.570 -0.756 0.000 2.252 450 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 450 I C 2.319 178.104 176.117 -0.554 0.000 1.102 450 I CA 0.792 61.546 61.300 -0.910 0.000 1.385 450 I CB -0.143 37.369 38.000 -0.812 0.000 1.064 450 I HN 0.108 nan 8.210 nan 0.000 0.414 451 L N -0.046 120.983 121.223 -0.323 0.000 2.042 451 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 451 L C 2.730 179.525 176.870 -0.124 0.000 1.076 451 L CA 1.664 56.395 54.840 -0.182 0.000 0.749 451 L CB -0.921 41.069 42.059 -0.114 0.000 0.893 451 L HN 0.360 nan 8.230 nan 0.000 0.432 452 H N 0.120 119.076 119.070 -0.190 0.000 2.357 452 H HA -0.110 4.446 4.556 -0.000 0.000 0.301 452 H C 2.126 177.390 175.328 -0.107 0.000 1.082 452 H CA 1.475 57.452 56.048 -0.118 0.000 1.342 452 H CB 0.042 29.752 29.762 -0.087 0.000 1.389 452 H HN 0.256 nan 8.280 nan 0.000 0.511 453 A N 0.493 123.143 122.820 -0.284 0.000 1.978 453 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 453 A C 2.259 179.744 177.584 -0.165 0.000 1.170 453 A CA 1.803 53.689 52.037 -0.252 0.000 0.636 453 A CB -0.628 18.202 19.000 -0.284 0.000 0.810 453 A HN 0.572 nan 8.150 nan 0.000 0.448 454 M N -1.291 118.197 119.600 -0.188 0.000 2.618 454 M HA 0.162 4.642 4.480 -0.000 0.000 0.240 454 M C 1.312 177.572 176.300 -0.068 0.000 1.123 454 M CA 0.710 55.975 55.300 -0.058 0.000 1.060 454 M CB 0.141 32.713 32.600 -0.047 0.000 1.535 454 M HN 0.607 nan 8.290 nan 0.000 0.507 455 G N 1.250 109.970 108.800 -0.133 0.000 2.153 455 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 455 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 455 G C 0.857 175.728 174.900 -0.049 0.000 0.994 455 G CA 0.544 45.582 45.100 -0.105 0.000 0.698 455 G HN 0.486 nan 8.290 nan 0.000 0.521 456 K N -0.543 119.829 120.400 -0.046 0.000 2.262 456 K HA 0.299 4.619 4.320 -0.000 0.000 0.200 456 K C 1.366 177.965 176.600 -0.001 0.000 1.049 456 K CA 1.285 57.557 56.287 -0.024 0.000 0.979 456 K CB 0.291 32.770 32.500 -0.035 0.000 0.773 456 K HN 0.810 nan 8.250 nan 0.000 0.474 457 I N -1.694 118.891 120.570 0.025 0.000 2.865 457 I HA 0.453 4.623 4.170 -0.000 0.000 0.302 457 I C -2.979 173.228 176.117 0.150 0.000 1.140 457 I CA -3.022 58.312 61.300 0.057 0.000 1.021 457 I CB 2.351 40.370 38.000 0.031 0.000 1.233 457 I HN -0.254 nan 8.210 nan 0.000 0.427 458 P HA 0.130 nan 4.420 nan 0.000 0.274 458 P C 0.193 177.518 177.300 0.043 0.000 1.246 458 P CA -0.032 63.152 63.100 0.140 0.000 0.795 458 P CB 1.166 32.907 31.700 0.069 0.000 1.006 459 E N 0.728 120.872 120.200 -0.093 0.000 2.118 459 E HA -0.234 4.115 4.350 -0.000 0.000 0.195 459 E C 1.205 177.719 176.600 -0.143 0.000 0.992 459 E CA 1.489 57.646 56.400 -0.405 0.000 0.804 459 E CB -0.160 29.372 29.700 -0.281 0.000 0.741 459 E HN 0.496 nan 8.360 nan 0.000 0.458 460 D N -0.104 120.275 120.400 -0.036 0.000 2.392 460 D HA -0.165 4.475 4.640 -0.000 0.000 0.228 460 D C 0.896 177.219 176.300 0.038 0.000 1.003 460 D CA 0.682 54.694 54.000 0.019 0.000 0.917 460 D CB -0.099 40.715 40.800 0.023 0.000 0.890 460 D HN 0.332 nan 8.370 nan 0.000 0.532 461 E N -0.334 119.871 120.200 0.009 0.000 2.481 461 E HA 0.176 4.526 4.350 -0.000 0.000 0.198 461 E C 1.953 178.546 176.600 -0.012 0.000 1.027 461 E CA -0.308 56.100 56.400 0.014 0.000 0.900 461 E CB 0.388 30.093 29.700 0.008 0.000 0.993 461 E HN 0.302 nan 8.360 nan 0.000 0.482 462 I N 0.046 120.593 120.570 -0.039 0.000 2.179 462 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 462 I C 0.469 176.454 176.117 -0.220 0.000 1.088 462 I CA 1.172 62.383 61.300 -0.149 0.000 1.357 462 I CB 0.051 37.947 38.000 -0.172 0.000 1.051 462 I HN 0.096 nan 8.210 nan 0.000 0.409 463 W N 1.518 122.813 121.300 -0.008 0.000 2.361 463 W HA 0.486 5.146 4.660 -0.000 0.000 0.309 463 W C 0.118 176.641 176.519 0.007 0.000 1.122 463 W CA -0.223 57.129 57.345 0.012 0.000 1.208 463 W CB 0.600 30.069 29.460 0.015 0.000 1.246 463 W HN -0.039 nan 8.180 nan 0.000 0.490 464 Q N 2.684 122.608 119.800 0.207 0.000 2.340 464 Q HA 0.406 4.746 4.340 -0.000 0.000 0.268 464 Q C 0.118 176.194 176.000 0.128 0.000 1.031 464 Q CA -0.539 55.340 55.803 0.126 0.000 0.804 464 Q CB 1.694 30.470 28.738 0.065 0.000 1.286 464 Q HN 0.568 nan 8.270 nan 0.000 0.448 465 S N 2.459 118.216 115.700 0.095 0.000 2.589 465 S HA 0.251 4.721 4.470 -0.000 0.000 0.265 465 S C -0.192 174.449 174.600 0.068 0.000 1.342 465 S CA -0.514 57.731 58.200 0.075 0.000 1.005 465 S CB 1.304 64.531 63.200 0.044 0.000 0.909 465 S HN 0.670 nan 8.310 nan 0.000 0.555 466 E N 0.939 121.179 120.200 0.067 0.000 2.199 466 E HA 0.573 4.923 4.350 -0.000 0.000 0.265 466 E C -2.814 173.815 176.600 0.048 0.000 0.882 466 E CA -2.140 54.297 56.400 0.062 0.000 0.759 466 E CB 1.048 30.798 29.700 0.084 0.000 1.148 466 E HN 0.537 nan 8.360 nan 0.000 0.412 467 P HA 0.079 nan 4.420 nan 0.000 0.269 467 P C -0.779 176.540 177.300 0.031 0.000 1.209 467 P CA -0.223 62.894 63.100 0.029 0.000 0.776 467 P CB 0.527 32.241 31.700 0.023 0.000 0.876 468 E N 1.557 121.773 120.200 0.026 0.000 2.414 468 E HA 0.079 4.429 4.350 -0.000 0.000 0.263 468 E C -0.092 176.520 176.600 0.019 0.000 1.000 468 E CA -0.275 56.141 56.400 0.026 0.000 0.914 468 E CB 0.387 30.100 29.700 0.021 0.000 0.948 468 E HN 0.375 nan 8.360 nan 0.000 0.444 469 S N 2.964 118.674 115.700 0.016 0.000 2.546 469 S HA -0.057 4.413 4.470 -0.000 0.000 0.290 469 S C 1.223 175.828 174.600 0.009 0.000 1.290 469 S CA -0.070 58.136 58.200 0.012 0.000 1.069 469 S CB 0.741 63.943 63.200 0.003 0.000 0.846 469 S HN 0.531 nan 8.310 nan 0.000 0.495 470 V N 2.017 121.937 119.914 0.011 0.000 2.719 470 V HA 0.035 4.155 4.120 -0.000 0.000 0.252 470 V C 1.518 177.616 176.094 0.008 0.000 1.065 470 V CA 1.558 63.864 62.300 0.010 0.000 1.086 470 V CB -0.591 31.239 31.823 0.011 0.000 0.700 470 V HN 0.814 nan 8.190 nan 0.000 0.467 471 D N 0.948 121.353 120.400 0.008 0.000 2.249 471 D HA 0.094 4.734 4.640 -0.000 0.000 0.205 471 D C 0.820 177.118 176.300 -0.004 0.000 0.962 471 D CA 1.089 55.094 54.000 0.008 0.000 0.860 471 D CB 0.773 41.583 40.800 0.016 0.000 0.955 471 D HN 0.517 nan 8.370 nan 0.000 0.505 472 V N 3.581 123.487 119.914 -0.012 0.000 2.320 472 V HA 0.195 4.315 4.120 -0.000 0.000 0.257 472 V C -2.413 173.668 176.094 -0.022 0.000 0.996 472 V CA -1.288 60.994 62.300 -0.029 0.000 0.928 472 V CB 1.214 33.002 31.823 -0.058 0.000 1.169 472 V HN -0.052 nan 8.190 nan 0.000 0.475 473 P HA 0.358 nan 4.420 nan 0.000 0.275 473 P C -0.349 176.948 177.300 -0.005 0.000 1.228 473 P CA 0.078 63.175 63.100 -0.004 0.000 0.786 473 P CB 1.549 33.249 31.700 -0.001 0.000 0.927 474 A N 3.214 126.036 122.820 0.003 0.000 2.274 474 A HA 0.315 4.635 4.320 -0.000 0.000 0.309 474 A C 0.283 177.870 177.584 0.006 0.000 1.226 474 A CA -0.525 51.517 52.037 0.008 0.000 0.853 474 A CB 0.196 19.212 19.000 0.026 0.000 1.146 474 A HN 0.445 nan 8.150 nan 0.000 0.518 475 Q N 2.678 122.480 119.800 0.003 0.000 2.293 475 Q HA 0.329 4.669 4.340 -0.000 0.000 0.251 475 Q C -2.249 173.752 176.000 0.002 0.000 0.930 475 Q CA -1.689 54.115 55.803 0.002 0.000 0.893 475 Q CB 0.866 29.604 28.738 -0.000 0.000 1.215 475 Q HN 0.564 nan 8.270 nan 0.000 0.425 476 P HA 0.136 nan 4.420 nan 0.000 0.272 476 P C -0.298 176.999 177.300 -0.005 0.000 1.230 476 P CA -0.279 62.818 63.100 -0.004 0.000 0.788 476 P CB 0.714 32.411 31.700 -0.006 0.000 0.949 477 I N 2.034 122.596 120.570 -0.012 0.000 2.352 477 I HA 0.166 4.336 4.170 -0.000 0.000 0.290 477 I C 1.229 177.337 176.117 -0.015 0.000 1.036 477 I CA 0.230 61.522 61.300 -0.013 0.000 1.336 477 I CB 0.109 38.094 38.000 -0.024 0.000 1.407 477 I HN 0.424 nan 8.210 nan 0.000 0.497 478 T N 2.126 116.675 114.554 -0.008 0.000 2.932 478 T HA 0.830 5.180 4.350 -0.000 0.000 0.289 478 T C -0.036 174.653 174.700 -0.018 0.000 1.039 478 T CA -0.670 61.424 62.100 -0.010 0.000 1.024 478 T CB 2.239 71.108 68.868 0.001 0.000 1.090 478 T HN 0.644 nan 8.240 nan 0.000 0.496 479 T N -1.310 113.229 114.554 -0.026 0.000 2.906 479 T HA 0.731 5.081 4.350 -0.000 0.000 0.295 479 T C 0.219 174.913 174.700 -0.011 0.000 1.075 479 T CA -0.707 61.366 62.100 -0.044 0.000 1.005 479 T CB 1.337 70.153 68.868 -0.087 0.000 1.136 479 T HN 1.035 nan 8.240 nan 0.000 0.498 480 T N -0.586 113.965 114.554 -0.005 0.000 2.902 480 T HA 0.427 4.777 4.350 -0.000 0.000 0.280 480 T C 0.842 175.595 174.700 0.090 0.000 0.992 480 T CA -0.854 61.280 62.100 0.058 0.000 1.015 480 T CB 0.695 69.601 68.868 0.064 0.000 1.044 480 T HN 0.539 nan 8.240 nan 0.000 0.520 481 F N 0.825 120.797 119.950 0.037 0.000 2.095 481 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 481 F C 1.942 177.818 175.800 0.128 0.000 1.104 481 F CA 1.458 59.526 58.000 0.114 0.000 1.232 481 F CB -0.456 38.606 39.000 0.102 0.000 0.987 481 F HN 0.507 nan 8.300 nan 0.000 0.475 482 L N -0.054 121.295 121.223 0.210 0.000 2.083 482 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 482 L C 2.383 179.253 176.870 -0.001 0.000 1.083 482 L CA 1.620 56.527 54.840 0.111 0.000 0.752 482 L CB -0.753 41.395 42.059 0.149 0.000 0.899 482 L HN 0.173 nan 8.230 nan 0.000 0.433 483 E N -0.119 120.065 120.200 -0.025 0.000 2.085 483 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 483 E C 2.359 178.841 176.600 -0.197 0.000 0.994 483 E CA 1.119 57.458 56.400 -0.102 0.000 0.801 483 E CB -0.005 29.622 29.700 -0.122 0.000 0.743 483 E HN 0.392 nan 8.360 nan 0.000 0.453 484 R N -0.488 119.834 120.500 -0.296 0.000 2.092 484 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 484 R C 1.781 177.687 176.300 -0.656 0.000 1.119 484 R CA 1.042 56.826 56.100 -0.526 0.000 0.970 484 R CB 0.039 29.901 30.300 -0.730 0.000 0.864 484 R HN 0.307 nan 8.270 nan 0.000 0.440 485 H N -0.904 117.968 119.070 -0.330 0.000 2.874 485 H HA 0.203 4.759 4.556 -0.000 0.000 0.264 485 H C 0.360 175.579 175.328 -0.181 0.000 1.007 485 H CA -0.202 55.650 56.048 -0.326 0.000 1.207 485 H CB 0.491 29.891 29.762 -0.603 0.000 1.487 485 H HN 0.023 nan 8.280 nan 0.000 0.505 486 L N 4.629 125.829 121.223 -0.039 0.000 2.525 486 L HA 0.044 4.384 4.340 -0.000 0.000 0.278 486 L C -1.659 175.196 176.870 -0.025 0.000 1.218 486 L CA -1.359 53.483 54.840 0.003 0.000 0.878 486 L CB 0.327 42.421 42.059 0.059 0.000 1.127 486 L HN -0.008 nan 8.230 nan 0.000 0.492 487 P HA 0.108 nan 4.420 nan 0.000 0.274 487 P C -0.577 176.682 177.300 -0.069 0.000 1.237 487 P CA -0.576 62.495 63.100 -0.048 0.000 0.793 487 P CB 0.993 32.664 31.700 -0.049 0.000 0.977 488 S N 0.178 115.818 115.700 -0.100 0.000 2.626 488 S HA 0.085 4.555 4.470 -0.000 0.000 0.257 488 S C 1.519 175.989 174.600 -0.216 0.000 1.288 488 S CA -0.533 57.584 58.200 -0.138 0.000 0.980 488 S CB -0.384 62.731 63.200 -0.143 0.000 0.975 488 S HN 0.221 nan 8.310 nan 0.000 0.577 489 V N 2.363 122.083 119.914 -0.324 0.000 2.261 489 V HA -0.071 4.049 4.120 -0.000 0.000 0.246 489 V C -0.425 175.255 176.094 -0.690 0.000 1.047 489 V CA 1.918 63.935 62.300 -0.472 0.000 1.015 489 V CB -1.943 29.584 31.823 -0.493 0.000 0.642 489 V HN 0.799 nan 8.190 nan 0.000 0.446 490 P HA -0.117 nan 4.420 nan 0.000 0.218 490 P C 1.761 178.860 177.300 -0.335 0.000 1.149 490 P CA 2.006 64.659 63.100 -0.745 0.000 0.817 490 P CB -0.301 31.074 31.700 -0.541 0.000 0.785 491 G N 0.662 109.311 108.800 -0.253 0.000 2.418 491 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 491 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 491 G C 1.541 176.366 174.900 -0.125 0.000 1.158 491 G CA 0.658 45.672 45.100 -0.143 0.000 0.771 491 G HN 0.256 nan 8.290 nan 0.000 0.545 492 L N 0.335 121.469 121.223 -0.148 0.000 2.083 492 L HA 0.116 4.456 4.340 -0.000 0.000 0.209 492 L C 2.681 179.488 176.870 -0.105 0.000 1.083 492 L CA 1.284 56.059 54.840 -0.108 0.000 0.752 492 L CB -0.274 41.724 42.059 -0.101 0.000 0.899 492 L HN 0.207 nan 8.230 nan 0.000 0.433 493 L N -1.037 120.094 121.223 -0.155 0.000 2.093 493 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 493 L C 2.745 179.570 176.870 -0.075 0.000 1.085 493 L CA 1.092 55.860 54.840 -0.119 0.000 0.755 493 L CB -0.513 41.444 42.059 -0.169 0.000 0.904 493 L HN 0.210 nan 8.230 nan 0.000 0.435 494 R N -0.369 120.082 120.500 -0.081 0.000 2.115 494 R HA -0.146 4.194 4.340 -0.000 0.000 0.230 494 R C 2.216 178.495 176.300 -0.034 0.000 1.111 494 R CA 1.042 57.115 56.100 -0.046 0.000 0.976 494 R CB -0.330 29.945 30.300 -0.043 0.000 0.870 494 R HN 0.203 nan 8.270 nan 0.000 0.445 495 L N 0.980 122.178 121.223 -0.041 0.000 2.141 495 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 495 L C 1.059 177.916 176.870 -0.022 0.000 1.094 495 L CA 1.274 56.096 54.840 -0.029 0.000 0.763 495 L CB -0.040 42.000 42.059 -0.031 0.000 0.908 495 L HN 0.016 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 37.988 38.000 -0.020 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494