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 2c72_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 SGHMEGAVEA 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 0.000 175.513 175.510 0.004 0.000 1.280 3 N CA 0.000 52.936 53.050 -0.190 0.000 0.885 3 N CB 0.000 38.410 38.487 -0.129 0.000 1.341 4 K N 1.744 122.158 120.400 0.024 0.000 2.183 4 K HA 0.555 4.875 4.320 -0.000 0.000 0.274 4 K C 0.138 176.779 176.600 0.069 0.000 1.009 4 K CA -0.356 55.958 56.287 0.044 0.000 0.888 4 K CB 1.793 34.305 32.500 0.019 0.000 1.078 4 K HN 0.618 nan 8.250 nan 0.000 0.459 5 C N -0.985 118.359 119.300 0.073 0.000 3.314 5 C HA 0.400 4.860 4.460 -0.000 0.000 0.344 5 C C 0.756 175.780 174.990 0.057 0.000 1.461 5 C CA -0.784 58.276 59.018 0.069 0.000 1.249 5 C CB 0.948 28.740 27.740 0.087 0.000 1.632 5 C HN 0.772 nan 8.230 nan 0.000 0.452 6 D N 0.300 120.736 120.400 0.060 0.000 2.149 6 D HA 0.135 4.775 4.640 -0.000 0.000 0.206 6 D C 0.357 176.718 176.300 0.102 0.000 0.967 6 D CA 1.672 55.716 54.000 0.073 0.000 0.848 6 D CB 0.201 41.043 40.800 0.070 0.000 0.998 6 D HN 0.492 nan 8.370 nan 0.000 0.474 7 V N 1.373 121.338 119.914 0.084 0.000 2.686 7 V HA 0.266 4.386 4.120 -0.000 0.000 0.306 7 V C -0.171 175.950 176.094 0.045 0.000 1.065 7 V CA -0.860 61.492 62.300 0.086 0.000 0.894 7 V CB 2.804 34.667 31.823 0.067 0.000 1.004 7 V HN -0.242 nan 8.190 nan 0.000 0.424 8 V N 5.183 125.118 119.914 0.036 0.000 2.407 8 V HA 0.402 4.522 4.120 -0.000 0.000 0.278 8 V C -0.063 176.019 176.094 -0.019 0.000 1.037 8 V CA -0.408 61.883 62.300 -0.016 0.000 0.900 8 V CB 1.832 33.642 31.823 -0.022 0.000 0.983 8 V HN 0.639 nan 8.190 nan 0.000 0.459 9 V N 6.241 126.128 119.914 -0.044 0.000 2.370 9 V HA 0.324 4.444 4.120 -0.000 0.000 0.279 9 V C 0.011 176.076 176.094 -0.049 0.000 1.029 9 V CA -0.579 61.702 62.300 -0.031 0.000 0.870 9 V CB 1.744 33.552 31.823 -0.026 0.000 0.984 9 V HN 0.601 nan 8.190 nan 0.000 0.451 10 V N 4.675 124.574 119.914 -0.024 0.000 2.368 10 V HA 0.794 4.914 4.120 -0.000 0.000 0.266 10 V C 0.703 176.799 176.094 0.003 0.000 1.045 10 V CA 0.454 62.741 62.300 -0.022 0.000 0.899 10 V CB 0.399 32.226 31.823 0.007 0.000 1.006 10 V HN 1.271 nan 8.190 nan 0.000 0.470 11 G N 3.654 112.443 108.800 -0.018 0.000 3.233 11 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 11 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 11 G C 0.055 174.955 174.900 -0.000 0.000 1.153 11 G CA -0.506 44.597 45.100 0.004 0.000 0.853 11 G HN 1.219 nan 8.290 nan 0.000 0.582 12 G N 0.786 109.584 108.800 -0.003 0.000 4.291 12 G HA2 0.690 4.650 3.960 -0.000 0.000 0.304 12 G HA3 0.690 4.650 3.960 -0.000 0.000 0.304 12 G C 0.851 175.765 174.900 0.024 0.000 1.264 12 G CA 0.926 46.025 45.100 -0.002 0.000 1.039 12 G HN 1.296 nan 8.290 nan 0.000 0.578 13 G N -0.135 108.690 108.800 0.043 0.000 2.535 13 G HA2 0.358 4.318 3.960 -0.000 0.000 0.282 13 G HA3 0.358 4.318 3.960 -0.000 0.000 0.282 13 G C 1.201 176.127 174.900 0.043 0.000 1.350 13 G CA -0.770 44.365 45.100 0.058 0.000 1.039 13 G HN 0.140 nan 8.290 nan 0.000 0.509 14 I N -0.533 120.064 120.570 0.046 0.000 2.208 14 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 14 I C 3.009 179.148 176.117 0.036 0.000 1.097 14 I CA 1.654 62.974 61.300 0.032 0.000 1.363 14 I CB -0.104 37.918 38.000 0.037 0.000 1.051 14 I HN 0.469 nan 8.210 nan 0.000 0.413 15 S N 0.500 116.234 115.700 0.057 0.000 2.345 15 S HA -0.114 4.356 4.470 -0.000 0.000 0.220 15 S C 2.119 176.745 174.600 0.043 0.000 1.031 15 S CA 1.554 59.791 58.200 0.063 0.000 0.996 15 S CB -0.619 62.637 63.200 0.094 0.000 0.882 15 S HN 0.566 nan 8.310 nan 0.000 0.445 16 G N 1.795 110.620 108.800 0.041 0.000 2.446 16 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 16 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 16 G C 1.460 176.362 174.900 0.003 0.000 1.168 16 G CA 1.132 46.245 45.100 0.022 0.000 0.771 16 G HN 0.386 nan 8.290 nan 0.000 0.551 17 M N 1.281 120.881 119.600 -0.000 0.000 2.086 17 M HA 0.029 4.509 4.480 -0.000 0.000 0.261 17 M C 3.024 179.314 176.300 -0.016 0.000 1.067 17 M CA 1.295 56.585 55.300 -0.017 0.000 1.116 17 M CB -1.455 31.132 32.600 -0.020 0.000 1.348 17 M HN 0.319 nan 8.290 nan 0.000 0.407 18 A N 0.035 122.851 122.820 -0.006 0.000 1.933 18 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 18 A C 2.441 180.021 177.584 -0.006 0.000 1.175 18 A CA 2.144 54.177 52.037 -0.006 0.000 0.628 18 A CB -0.886 18.116 19.000 0.004 0.000 0.814 18 A HN 0.487 nan 8.150 nan 0.000 0.444 19 A N -0.120 122.697 122.820 -0.005 0.000 1.873 19 A HA 0.187 4.507 4.320 -0.000 0.000 0.215 19 A C 2.528 180.105 177.584 -0.011 0.000 1.186 19 A CA 2.056 54.084 52.037 -0.014 0.000 0.616 19 A CB -1.076 17.917 19.000 -0.011 0.000 0.823 19 A HN 1.050 nan 8.150 nan 0.000 0.442 20 A N -0.235 122.580 122.820 -0.008 0.000 1.902 20 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 20 A C 2.146 179.743 177.584 0.022 0.000 1.181 20 A CA 2.041 54.077 52.037 -0.001 0.000 0.623 20 A CB -0.479 18.508 19.000 -0.023 0.000 0.818 20 A HN 0.565 nan 8.150 nan 0.000 0.443 21 K N -0.414 119.989 120.400 0.005 0.000 2.026 21 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 21 K C 2.016 178.654 176.600 0.064 0.000 1.048 21 K CA 1.568 57.873 56.287 0.029 0.000 0.929 21 K CB -0.338 32.161 32.500 -0.003 0.000 0.713 21 K HN 0.456 nan 8.250 nan 0.000 0.439 22 L N 1.230 122.467 121.223 0.024 0.000 1.989 22 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 22 L C 2.253 179.129 176.870 0.010 0.000 1.071 22 L CA 1.335 56.180 54.840 0.008 0.000 0.749 22 L CB -0.224 41.824 42.059 -0.018 0.000 0.890 22 L HN 0.263 nan 8.230 nan 0.000 0.431 23 L N -0.995 120.234 121.223 0.010 0.000 2.046 23 L HA -0.290 4.050 4.340 -0.000 0.000 0.208 23 L C 2.617 179.506 176.870 0.033 0.000 1.077 23 L CA 1.665 56.507 54.840 0.004 0.000 0.747 23 L CB -0.894 41.164 42.059 -0.002 0.000 0.896 23 L HN 0.446 nan 8.230 nan 0.000 0.432 24 H N 0.258 119.314 119.070 -0.023 0.000 2.319 24 H HA -0.200 4.356 4.556 -0.000 0.000 0.299 24 H C 1.824 177.142 175.328 -0.016 0.000 1.092 24 H CA 2.072 58.110 56.048 -0.017 0.000 1.302 24 H CB 0.002 29.755 29.762 -0.016 0.000 1.373 24 H HN 0.222 nan 8.280 nan 0.000 0.497 25 D N -0.614 119.793 120.400 0.012 0.000 2.218 25 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 25 D C 2.132 178.384 176.300 -0.079 0.000 0.976 25 D CA 1.432 55.406 54.000 -0.043 0.000 0.853 25 D CB -0.410 40.404 40.800 0.023 0.000 0.939 25 D HN 0.550 nan 8.370 nan 0.000 0.481 26 S N -1.195 114.467 115.700 -0.064 0.000 2.593 26 S HA 0.272 4.742 4.470 -0.000 0.000 0.217 26 S C 1.621 176.176 174.600 -0.074 0.000 0.966 26 S CA 0.642 58.806 58.200 -0.059 0.000 0.914 26 S CB 0.400 63.573 63.200 -0.045 0.000 0.776 26 S HN 0.286 nan 8.310 nan 0.000 0.523 27 G N 0.577 109.306 108.800 -0.118 0.000 2.159 27 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.227 27 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.227 27 G C -0.136 174.718 174.900 -0.077 0.000 0.986 27 G CA 0.049 45.079 45.100 -0.118 0.000 0.651 27 G HN 0.516 nan 8.290 nan 0.000 0.523 28 L N 0.647 121.838 121.223 -0.053 0.000 2.399 28 L HA 0.408 4.748 4.340 -0.000 0.000 0.266 28 L C 0.190 177.069 176.870 0.015 0.000 1.114 28 L CA -1.030 53.804 54.840 -0.010 0.000 0.804 28 L CB 0.622 42.683 42.059 0.003 0.000 1.146 28 L HN 0.010 nan 8.230 nan 0.000 0.451 29 N N 2.202 120.922 118.700 0.034 0.000 2.406 29 N HA 0.256 4.996 4.740 -0.000 0.000 0.251 29 N C -0.638 174.911 175.510 0.066 0.000 1.069 29 N CA -0.084 53.001 53.050 0.058 0.000 0.947 29 N CB 1.506 40.023 38.487 0.050 0.000 1.111 29 N HN 0.360 nan 8.380 nan 0.000 0.497 30 V N 0.168 120.130 119.914 0.080 0.000 2.715 30 V HA 0.734 4.854 4.120 -0.000 0.000 0.310 30 V C -0.072 176.039 176.094 0.028 0.000 1.054 30 V CA -0.745 61.587 62.300 0.052 0.000 0.928 30 V CB 1.969 33.822 31.823 0.049 0.000 1.007 30 V HN 0.153 nan 8.190 nan 0.000 0.437 31 V N 3.679 123.588 119.914 -0.007 0.000 2.656 31 V HA 0.544 4.664 4.120 -0.000 0.000 0.307 31 V C -0.353 175.676 176.094 -0.109 0.000 1.051 31 V CA -0.540 61.723 62.300 -0.062 0.000 0.893 31 V CB 2.069 33.837 31.823 -0.091 0.000 0.999 31 V HN 0.832 nan 8.190 nan 0.000 0.426 32 V N 6.069 125.911 119.914 -0.119 0.000 2.370 32 V HA 0.450 4.570 4.120 -0.000 0.000 0.283 32 V C -0.219 175.774 176.094 -0.168 0.000 1.023 32 V CA -0.436 61.794 62.300 -0.117 0.000 0.857 32 V CB 1.488 33.264 31.823 -0.078 0.000 0.985 32 V HN 0.618 nan 8.190 nan 0.000 0.443 33 L N 4.577 125.687 121.223 -0.190 0.000 2.262 33 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 33 L C -0.120 176.665 176.870 -0.141 0.000 1.035 33 L CA -0.341 54.371 54.840 -0.213 0.000 0.820 33 L CB 1.299 43.197 42.059 -0.269 0.000 1.204 33 L HN 0.603 nan 8.230 nan 0.000 0.424 34 E N 2.349 122.471 120.200 -0.130 0.000 2.158 34 E HA 0.468 4.818 4.350 -0.000 0.000 0.271 34 E C 0.399 176.893 176.600 -0.176 0.000 0.911 34 E CA -0.302 56.025 56.400 -0.122 0.000 0.767 34 E CB 2.028 31.680 29.700 -0.081 0.000 1.120 34 E HN 0.555 nan 8.360 nan 0.000 0.405 35 A N 5.550 128.202 122.820 -0.280 0.000 1.902 35 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 35 A C 1.099 178.445 177.584 -0.396 0.000 1.181 35 A CA 1.060 52.788 52.037 -0.515 0.000 0.623 35 A CB -0.205 18.082 19.000 -1.188 0.000 0.818 35 A HN 0.611 nan 8.150 nan 0.000 0.443 36 R N -0.084 120.265 120.500 -0.251 0.000 2.580 36 R HA 0.224 4.564 4.340 -0.000 0.000 0.267 36 R C 0.148 176.407 176.300 -0.069 0.000 1.125 36 R CA 0.164 56.197 56.100 -0.113 0.000 1.188 36 R CB 0.154 30.430 30.300 -0.040 0.000 1.155 36 R HN 0.479 nan 8.270 nan 0.000 0.586 37 D N 0.513 120.892 120.400 -0.035 0.000 2.323 37 D HA -0.034 4.606 4.640 -0.000 0.000 0.239 37 D C -0.095 176.205 176.300 -0.000 0.000 1.129 37 D CA 0.089 54.079 54.000 -0.017 0.000 0.865 37 D CB -0.041 40.755 40.800 -0.007 0.000 0.913 37 D HN 0.444 nan 8.370 nan 0.000 0.517 38 R N -1.338 119.163 120.500 0.003 0.000 2.734 38 R HA 0.576 4.916 4.340 -0.000 0.000 0.271 38 R C -0.747 175.574 176.300 0.035 0.000 1.021 38 R CA -1.099 55.022 56.100 0.035 0.000 0.893 38 R CB 1.174 31.518 30.300 0.074 0.000 1.244 38 R HN -0.100 nan 8.270 nan 0.000 0.464 39 V N -1.623 118.320 119.914 0.050 0.000 3.234 39 V HA 0.874 4.994 4.120 -0.000 0.000 0.317 39 V C 0.918 177.068 176.094 0.095 0.000 1.081 39 V CA 0.403 62.732 62.300 0.048 0.000 1.037 39 V CB 0.809 32.644 31.823 0.020 0.000 1.148 39 V HN 1.205 nan 8.190 nan 0.000 0.453 40 G N -0.839 108.015 108.800 0.090 0.000 2.339 40 G HA2 0.133 4.093 3.960 -0.000 0.000 0.209 40 G HA3 0.133 4.093 3.960 -0.000 0.000 0.209 40 G C 1.667 176.656 174.900 0.149 0.000 1.015 40 G CA 0.792 45.966 45.100 0.123 0.000 0.635 40 G HN 2.653 nan 8.290 nan 0.000 0.499 41 G N 0.566 109.468 108.800 0.169 0.000 2.620 41 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.315 41 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.315 41 G C 0.972 176.032 174.900 0.266 0.000 1.179 41 G CA 1.514 46.730 45.100 0.194 0.000 0.971 41 G HN 1.191 nan 8.290 nan 0.000 0.544 42 R N 1.818 122.377 120.500 0.098 0.000 2.316 42 R HA 0.195 4.535 4.340 -0.000 0.000 0.202 42 R C 1.209 177.390 176.300 -0.199 0.000 1.029 42 R CA 1.119 57.086 56.100 -0.222 0.000 1.018 42 R CB -0.230 29.925 30.300 -0.242 0.000 0.888 42 R HN 0.721 nan 8.270 nan 0.000 0.471 43 T N -2.432 112.166 114.554 0.072 0.000 2.867 43 T HA 0.342 4.692 4.350 -0.000 0.000 0.282 43 T C -0.905 174.025 174.700 0.383 0.000 1.000 43 T CA -0.606 61.591 62.100 0.163 0.000 1.042 43 T CB 1.550 70.482 68.868 0.107 0.000 0.973 43 T HN 0.116 nan 8.240 nan 0.000 0.465 44 Y N 1.198 121.652 120.300 0.257 0.000 2.287 44 Y HA 0.406 4.956 4.550 -0.000 0.000 0.321 44 Y C -1.181 174.836 175.900 0.195 0.000 1.173 44 Y CA -0.809 57.443 58.100 0.252 0.000 1.124 44 Y CB 1.420 40.093 38.460 0.355 0.000 1.201 44 Y HN 0.885 nan 8.280 nan 0.000 0.421 45 T N 7.750 122.134 114.554 -0.283 0.000 2.753 45 T HA 0.407 4.757 4.350 -0.000 0.000 0.297 45 T C -0.804 173.577 174.700 -0.531 0.000 0.981 45 T CA -0.386 61.544 62.100 -0.283 0.000 0.956 45 T CB 0.573 69.390 68.868 -0.086 0.000 0.936 45 T HN 0.572 nan 8.240 nan 0.000 0.463 46 L N 4.434 125.354 121.223 -0.504 0.000 2.305 46 L HA 0.644 4.984 4.340 -0.000 0.000 0.281 46 L C -0.284 176.515 176.870 -0.119 0.000 1.085 46 L CA -0.161 54.467 54.840 -0.354 0.000 0.813 46 L CB 0.511 42.441 42.059 -0.215 0.000 1.157 46 L HN 0.422 nan 8.230 nan 0.000 0.436 47 R N 3.532 123.987 120.500 -0.074 0.000 2.494 47 R HA 0.665 5.005 4.340 -0.000 0.000 0.305 47 R C -1.072 175.204 176.300 -0.039 0.000 0.959 47 R CA -0.584 55.495 56.100 -0.035 0.000 0.864 47 R CB 1.358 31.648 30.300 -0.016 0.000 1.159 47 R HN 0.899 nan 8.270 nan 0.000 0.446 48 N N -1.383 117.276 118.700 -0.069 0.000 3.046 48 N HA 0.023 4.763 4.740 -0.000 0.000 0.243 48 N C -0.179 175.266 175.510 -0.109 0.000 1.452 48 N CA -0.968 52.037 53.050 -0.074 0.000 0.882 48 N CB 0.735 39.181 38.487 -0.068 0.000 1.425 48 N HN 0.400 nan 8.380 nan 0.000 0.517 49 Q N -0.365 119.381 119.800 -0.089 0.000 2.170 49 Q HA -0.066 4.274 4.340 -0.000 0.000 0.203 49 Q C 0.520 176.477 176.000 -0.073 0.000 0.976 49 Q CA 1.227 56.995 55.803 -0.058 0.000 0.858 49 Q CB 0.057 28.771 28.738 -0.039 0.000 0.907 49 Q HN 0.505 nan 8.270 nan 0.000 0.433 50 K N 0.038 120.298 120.400 -0.233 0.000 2.155 50 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 50 K C 2.018 178.408 176.600 -0.350 0.000 1.052 50 K CA 1.412 57.461 56.287 -0.397 0.000 0.948 50 K CB 0.047 31.955 32.500 -0.986 0.000 0.728 50 K HN 0.346 nan 8.250 nan 0.000 0.448 51 V N -2.731 116.930 119.914 -0.423 0.000 3.645 51 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 51 V C 1.440 177.118 176.094 -0.694 0.000 1.356 51 V CA 0.699 62.699 62.300 -0.501 0.000 1.051 51 V CB 0.180 31.750 31.823 -0.422 0.000 0.828 51 V HN 0.278 nan 8.190 nan 0.000 0.441 52 K N 0.568 120.626 120.400 -0.570 0.000 10.883 52 K HA -0.306 4.014 4.320 -0.000 0.000 0.526 52 K C 0.141 176.630 176.600 -0.186 0.000 0.382 52 K CA 2.525 58.530 56.287 -0.471 0.000 1.943 52 K CB -1.481 30.517 32.500 -0.837 0.000 0.766 52 K HN 0.951 nan 8.250 nan 0.000 1.214 53 Y N -1.853 118.288 120.300 -0.264 0.000 2.562 53 Y HA 0.735 5.285 4.550 -0.000 0.000 0.345 53 Y C -1.186 174.670 175.900 -0.074 0.000 1.045 53 Y CA -0.766 57.248 58.100 -0.145 0.000 1.028 53 Y CB 2.074 40.470 38.460 -0.107 0.000 1.297 53 Y HN 0.018 nan 8.280 nan 0.000 0.463 54 V N 2.257 122.226 119.914 0.091 0.000 2.851 54 V HA 0.384 4.504 4.120 -0.000 0.000 0.307 54 V C -1.594 174.560 176.094 0.099 0.000 1.129 54 V CA -0.646 61.713 62.300 0.098 0.000 0.932 54 V CB 1.997 33.903 31.823 0.138 0.000 1.024 54 V HN 0.916 nan 8.190 nan 0.000 0.426 55 D N 5.755 126.224 120.400 0.116 0.000 2.338 55 D HA 0.286 4.926 4.640 -0.000 0.000 0.255 55 D C 0.885 177.270 176.300 0.141 0.000 1.237 55 D CA 0.229 54.285 54.000 0.093 0.000 0.883 55 D CB 1.744 42.567 40.800 0.039 0.000 1.087 55 D HN 0.519 nan 8.370 nan 0.000 0.485 56 L N 1.442 122.800 121.223 0.226 0.000 2.529 56 L HA 0.192 4.532 4.340 -0.000 0.000 0.223 56 L C 1.555 178.829 176.870 0.673 0.000 1.113 56 L CA 0.128 55.203 54.840 0.393 0.000 0.861 56 L CB 0.292 42.597 42.059 0.410 0.000 1.012 56 L HN 0.319 nan 8.230 nan 0.000 0.461 57 G N -0.839 108.286 108.800 0.543 0.000 3.099 57 G HA2 0.427 4.387 3.960 -0.000 0.000 0.151 57 G HA3 0.427 4.387 3.960 -0.000 0.000 0.151 57 G C -0.144 174.790 174.900 0.057 0.000 1.265 57 G CA -0.068 45.171 45.100 0.232 0.000 0.981 57 G HN 0.096 nan 8.290 nan 0.000 0.601 58 G N -0.848 107.908 108.800 -0.072 0.000 2.321 58 G HA2 0.356 4.316 3.960 -0.000 0.000 0.237 58 G HA3 0.356 4.316 3.960 -0.000 0.000 0.237 58 G C 0.568 175.430 174.900 -0.063 0.000 1.282 58 G CA 0.918 45.974 45.100 -0.072 0.000 0.886 58 G HN 0.867 nan 8.290 nan 0.000 0.528 59 S N 1.213 116.803 115.700 -0.182 0.000 3.113 59 S HA 0.195 4.665 4.470 -0.000 0.000 0.265 59 S C 0.059 174.393 174.600 -0.444 0.000 1.079 59 S CA -0.317 57.672 58.200 -0.353 0.000 0.892 59 S CB 0.055 62.867 63.200 -0.647 0.000 0.880 59 S HN 0.497 nan 8.310 nan 0.000 0.444 60 Y N 2.786 123.028 120.300 -0.096 0.000 2.304 60 Y HA 0.564 5.114 4.550 -0.000 0.000 0.328 60 Y C 0.246 175.999 175.900 -0.245 0.000 1.123 60 Y CA -0.542 57.451 58.100 -0.178 0.000 1.218 60 Y CB 1.311 39.706 38.460 -0.109 0.000 1.207 60 Y HN 0.123 nan 8.280 nan 0.000 0.495 61 V N -0.244 119.541 119.914 -0.214 0.000 3.102 61 V HA 1.104 5.224 4.120 -0.000 0.000 0.312 61 V C -0.314 175.591 176.094 -0.314 0.000 1.135 61 V CA -0.536 61.565 62.300 -0.332 0.000 1.022 61 V CB 1.679 33.236 31.823 -0.443 0.000 1.056 61 V HN 0.945 nan 8.190 nan 0.000 0.436 62 G N 0.331 108.908 108.800 -0.372 0.000 2.606 62 G HA2 0.713 4.673 3.960 -0.000 0.000 0.300 62 G HA3 0.713 4.673 3.960 -0.000 0.000 0.300 62 G C -3.465 171.280 174.900 -0.258 0.000 1.360 62 G CA -1.139 43.795 45.100 -0.277 0.000 0.783 62 G HN 0.702 nan 8.290 nan 0.000 0.484 63 P HA 0.133 nan 4.420 nan 0.000 0.265 63 P C 0.799 178.090 177.300 -0.015 0.000 1.187 63 P CA 1.947 65.010 63.100 -0.061 0.000 0.766 63 P CB 0.811 32.505 31.700 -0.009 0.000 0.820 64 T N -1.490 113.081 114.554 0.027 0.000 6.412 64 T HA -0.256 4.094 4.350 -0.000 0.000 0.279 64 T C 0.260 174.969 174.700 0.014 0.000 2.177 64 T CA 0.992 63.178 62.100 0.144 0.000 3.599 64 T CB -2.721 66.368 68.868 0.369 0.000 1.259 64 T HN 0.582 nan 8.240 nan 0.000 1.146 65 Q N 1.271 120.910 119.800 -0.269 0.000 3.207 65 Q HA 0.366 4.706 4.340 -0.000 0.000 0.335 65 Q C 0.953 176.845 176.000 -0.181 0.000 1.374 65 Q CA -0.475 55.067 55.803 -0.436 0.000 1.023 65 Q CB 0.191 28.493 28.738 -0.727 0.000 1.576 65 Q HN 0.497 nan 8.270 nan 0.000 0.515 66 N N 0.834 119.495 118.700 -0.065 0.000 2.331 66 N HA -0.085 4.655 4.740 -0.000 0.000 0.180 66 N C 1.249 176.761 175.510 0.003 0.000 1.019 66 N CA 0.879 53.923 53.050 -0.011 0.000 0.881 66 N CB 0.245 38.752 38.487 0.032 0.000 0.972 66 N HN 0.384 nan 8.380 nan 0.000 0.435 67 R N 0.517 121.021 120.500 0.006 0.000 2.062 67 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 67 R C 2.090 178.399 176.300 0.015 0.000 1.128 67 R CA 0.716 56.828 56.100 0.021 0.000 0.960 67 R CB -0.393 29.930 30.300 0.039 0.000 0.855 67 R HN 0.089 nan 8.270 nan 0.000 0.432 68 I N 1.288 121.861 120.570 0.006 0.000 2.286 68 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 68 I C 1.853 178.029 176.117 0.098 0.000 1.115 68 I CA 1.402 62.729 61.300 0.045 0.000 1.392 68 I CB -0.056 37.979 38.000 0.058 0.000 1.065 68 I HN 0.106 nan 8.210 nan 0.000 0.418 69 L N 0.115 121.381 121.223 0.072 0.000 2.046 69 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 69 L C 2.761 179.671 176.870 0.067 0.000 1.077 69 L CA 1.412 56.310 54.840 0.098 0.000 0.747 69 L CB -0.876 41.199 42.059 0.026 0.000 0.896 69 L HN 0.265 nan 8.230 nan 0.000 0.432 70 R N 0.763 121.284 120.500 0.034 0.000 2.066 70 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 70 R C 2.325 178.628 176.300 0.005 0.000 1.131 70 R CA 1.724 57.836 56.100 0.020 0.000 0.955 70 R CB -0.643 29.668 30.300 0.018 0.000 0.851 70 R HN 0.246 nan 8.270 nan 0.000 0.432 71 L N 1.191 122.413 121.223 -0.002 0.000 2.012 71 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 71 L C 2.452 179.281 176.870 -0.068 0.000 1.073 71 L CA 2.387 57.210 54.840 -0.028 0.000 0.748 71 L CB -0.889 41.154 42.059 -0.028 0.000 0.891 71 L HN 0.252 nan 8.230 nan 0.000 0.431 72 A N -0.610 122.154 122.820 -0.094 0.000 1.902 72 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 72 A C 2.475 179.992 177.584 -0.111 0.000 1.181 72 A CA 2.070 53.978 52.037 -0.215 0.000 0.623 72 A CB -0.694 18.063 19.000 -0.404 0.000 0.818 72 A HN 0.528 nan 8.150 nan 0.000 0.443 73 K N -0.353 120.035 120.400 -0.020 0.000 2.063 73 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 73 K C 2.087 178.676 176.600 -0.019 0.000 1.048 73 K CA 1.745 58.032 56.287 0.000 0.000 0.928 73 K CB -0.192 32.322 32.500 0.024 0.000 0.713 73 K HN 0.633 nan 8.250 nan 0.000 0.442 74 E N 0.480 120.666 120.200 -0.024 0.000 2.118 74 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 74 E C 1.717 178.294 176.600 -0.038 0.000 0.992 74 E CA 0.968 57.354 56.400 -0.024 0.000 0.804 74 E CB 0.003 29.691 29.700 -0.019 0.000 0.741 74 E HN 0.351 nan 8.360 nan 0.000 0.458 75 L N -0.660 120.525 121.223 -0.063 0.000 2.610 75 L HA 0.118 4.458 4.340 -0.000 0.000 0.232 75 L C 1.362 178.186 176.870 -0.076 0.000 1.149 75 L CA 0.497 55.289 54.840 -0.079 0.000 0.872 75 L CB 0.106 42.096 42.059 -0.116 0.000 0.992 75 L HN 0.397 nan 8.230 nan 0.000 0.447 76 G N 0.169 108.933 108.800 -0.060 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 0.030 174.901 174.900 -0.048 0.000 0.990 76 G CA -0.386 44.687 45.100 -0.044 0.000 0.671 76 G HN 0.190 nan 8.290 nan 0.000 0.521 77 L N -0.104 121.077 121.223 -0.069 0.000 2.360 77 L HA 0.742 5.082 4.340 -0.000 0.000 0.271 77 L C 0.538 177.442 176.870 0.055 0.000 1.057 77 L CA -0.770 54.035 54.840 -0.058 0.000 0.803 77 L CB 1.229 43.147 42.059 -0.234 0.000 1.207 77 L HN 0.195 nan 8.230 nan 0.000 0.445 78 E N 0.057 120.333 120.200 0.127 0.000 2.299 78 E HA 0.472 4.822 4.350 -0.000 0.000 0.265 78 E C -0.924 175.832 176.600 0.261 0.000 0.911 78 E CA -0.741 55.758 56.400 0.164 0.000 0.789 78 E CB 2.428 32.196 29.700 0.113 0.000 1.246 78 E HN 0.655 nan 8.360 nan 0.000 0.427 79 T N -1.300 113.359 114.554 0.175 0.000 2.952 79 T HA 0.625 4.975 4.350 -0.000 0.000 0.286 79 T C -0.745 174.039 174.700 0.139 0.000 1.024 79 T CA -0.709 61.429 62.100 0.063 0.000 1.029 79 T CB 0.674 69.458 68.868 -0.139 0.000 1.094 79 T HN 0.531 nan 8.240 nan 0.000 0.515 80 Y N -1.375 118.921 120.300 -0.006 0.000 2.609 80 Y HA 0.740 5.290 4.550 0.000 0.000 0.342 80 Y C -0.754 175.145 175.900 -0.001 0.000 1.058 80 Y CA -1.551 56.557 58.100 0.013 0.000 1.055 80 Y CB 1.421 39.909 38.460 0.048 0.000 1.292 80 Y HN 0.619 nan 8.280 nan 0.000 0.476 81 K N 2.211 122.659 120.400 0.079 0.000 2.234 81 K HA 0.432 4.752 4.320 -0.000 0.000 0.282 81 K C -0.832 175.786 176.600 0.030 0.000 1.039 81 K CA -0.777 55.500 56.287 -0.017 0.000 0.928 81 K CB 1.635 34.154 32.500 0.032 0.000 1.039 81 K HN 0.576 nan 8.250 nan 0.000 0.470 82 V N 3.269 123.143 119.914 -0.067 0.000 2.673 82 V HA -0.113 4.007 4.120 -0.000 0.000 0.303 82 V C 0.571 176.695 176.094 0.050 0.000 1.046 82 V CA -0.124 62.188 62.300 0.020 0.000 1.126 82 V CB 0.283 32.096 31.823 -0.017 0.000 0.934 82 V HN 0.732 nan 8.190 nan 0.000 0.487 83 N N 3.830 122.587 118.700 0.096 0.000 2.438 83 N HA 0.025 4.765 4.740 -0.000 0.000 0.267 83 N C 0.266 175.788 175.510 0.020 0.000 1.222 83 N CA 0.509 53.605 53.050 0.077 0.000 0.930 83 N CB 0.296 38.856 38.487 0.122 0.000 1.083 83 N HN 0.823 nan 8.380 nan 0.000 0.476 84 E N 2.849 123.049 120.200 0.001 0.000 3.067 84 E HA 0.105 4.455 4.350 -0.000 0.000 0.188 84 E C 0.357 176.941 176.600 -0.027 0.000 0.964 84 E CA -0.042 56.338 56.400 -0.033 0.000 1.286 84 E CB 0.290 29.955 29.700 -0.059 0.000 1.051 84 E HN 0.442 nan 8.360 nan 0.000 0.465 85 V N 0.571 120.484 119.914 -0.002 0.000 2.307 85 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 85 V C 0.983 177.072 176.094 -0.009 0.000 1.045 85 V CA 1.672 63.969 62.300 -0.004 0.000 1.024 85 V CB -0.141 31.684 31.823 0.004 0.000 0.651 85 V HN 0.251 nan 8.190 nan 0.000 0.449 86 E N -0.701 119.501 120.200 0.003 0.000 3.099 86 E HA 0.385 4.735 4.350 -0.000 0.000 0.259 86 E C 0.219 176.815 176.600 -0.007 0.000 1.274 86 E CA -0.629 55.777 56.400 0.009 0.000 1.111 86 E CB 0.208 29.929 29.700 0.034 0.000 1.327 86 E HN 0.314 nan 8.360 nan 0.000 0.652 87 R N 0.242 120.760 120.500 0.030 0.000 2.490 87 R HA 0.278 4.618 4.340 -0.000 0.000 0.280 87 R C -0.473 175.760 176.300 -0.111 0.000 1.077 87 R CA -0.575 55.512 56.100 -0.022 0.000 1.065 87 R CB 0.106 30.462 30.300 0.093 0.000 1.003 87 R HN 0.171 nan 8.270 nan 0.000 0.470 88 L N 2.666 123.631 121.223 -0.429 0.000 2.466 88 L HA 0.332 4.672 4.340 -0.000 0.000 0.257 88 L C 0.252 176.837 176.870 -0.474 0.000 1.189 88 L CA 0.302 54.782 54.840 -0.600 0.000 0.813 88 L CB 0.378 41.776 42.059 -1.102 0.000 1.118 88 L HN 0.469 nan 8.230 nan 0.000 0.471 89 I N 0.257 120.711 120.570 -0.193 0.000 2.465 89 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 89 I C -0.577 175.815 176.117 0.458 0.000 1.014 89 I CA -0.476 60.880 61.300 0.092 0.000 1.093 89 I CB 1.522 39.444 38.000 -0.130 0.000 1.267 89 I HN 0.540 nan 8.210 nan 0.000 0.431 90 H N 5.430 124.825 119.070 0.541 0.000 2.541 90 H HA 0.319 4.875 4.556 -0.000 0.000 0.316 90 H C -1.306 174.273 175.328 0.417 0.000 1.043 90 H CA -0.715 55.604 56.048 0.452 0.000 1.232 90 H CB 0.885 30.845 29.762 0.330 0.000 1.406 90 H HN 0.617 nan 8.280 nan 0.000 0.469 91 H N 4.542 123.750 119.070 0.232 0.000 2.541 91 H HA 0.412 4.968 4.556 -0.000 0.000 0.316 91 H C -1.447 173.891 175.328 0.016 0.000 1.043 91 H CA -0.426 55.684 56.048 0.104 0.000 1.232 91 H CB 0.858 30.678 29.762 0.098 0.000 1.406 91 H HN 0.347 nan 8.280 nan 0.000 0.469 92 V N 5.712 125.489 119.914 -0.228 0.000 2.888 92 V HA 0.252 4.372 4.120 -0.000 0.000 0.309 92 V C -0.743 175.292 176.094 -0.099 0.000 1.114 92 V CA -0.945 61.267 62.300 -0.147 0.000 0.940 92 V CB 1.581 33.242 31.823 -0.269 0.000 1.021 92 V HN 1.030 nan 8.190 nan 0.000 0.426 93 K N 4.694 125.071 120.400 -0.040 0.000 3.311 93 K HA -0.222 4.098 4.320 -0.000 0.000 0.270 93 K C 0.916 177.476 176.600 -0.066 0.000 0.927 93 K CA 0.934 57.212 56.287 -0.014 0.000 0.706 93 K CB -1.584 30.927 32.500 0.018 0.000 1.418 93 K HN 1.953 nan 8.250 nan 0.000 0.459 94 G N -0.019 108.697 108.800 -0.139 0.000 2.148 94 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 94 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 94 G C -0.092 174.641 174.900 -0.278 0.000 0.981 94 G CA 0.941 45.987 45.100 -0.089 0.000 0.670 94 G HN 0.447 nan 8.290 nan 0.000 0.528 95 K N 0.054 120.084 120.400 -0.616 0.000 2.468 95 K HA 0.596 4.916 4.320 -0.000 0.000 0.252 95 K C -0.564 175.663 176.600 -0.621 0.000 0.932 95 K CA -0.524 55.468 56.287 -0.492 0.000 0.794 95 K CB 1.390 33.669 32.500 -0.368 0.000 1.241 95 K HN 0.047 nan 8.250 nan 0.000 0.428 96 S N 2.522 118.018 115.700 -0.339 0.000 2.475 96 S HA 0.358 4.828 4.470 -0.000 0.000 0.281 96 S C -1.335 173.081 174.600 -0.307 0.000 1.198 96 S CA -0.362 57.773 58.200 -0.108 0.000 1.063 96 S CB 0.225 63.466 63.200 0.068 0.000 0.972 96 S HN 0.390 nan 8.310 nan 0.000 0.486 97 Y N 3.012 123.399 120.300 0.144 0.000 2.575 97 Y HA 0.344 4.894 4.550 -0.000 0.000 0.326 97 Y C -2.448 173.655 175.900 0.339 0.000 0.979 97 Y CA -2.450 55.778 58.100 0.212 0.000 1.286 97 Y CB 0.644 39.219 38.460 0.192 0.000 1.093 97 Y HN 0.459 nan 8.280 nan 0.000 0.501 98 P HA 0.210 nan 4.420 nan 0.000 0.271 98 P C -0.876 176.703 177.300 0.464 0.000 1.218 98 P CA -0.030 63.284 63.100 0.357 0.000 0.780 98 P CB 0.544 32.462 31.700 0.363 0.000 0.901 99 F N -0.775 119.296 119.950 0.202 0.000 2.668 99 F HA 0.689 5.216 4.527 -0.000 0.000 0.309 99 F C -0.757 175.112 175.800 0.114 0.000 1.117 99 F CA -1.288 56.814 58.000 0.170 0.000 0.951 99 F CB 1.481 40.585 39.000 0.174 0.000 1.323 99 F HN 0.046 nan 8.300 nan 0.000 0.451 100 R N 0.900 121.529 120.500 0.214 0.000 2.875 100 R HA 0.814 5.154 4.340 -0.000 0.000 0.251 100 R C -0.137 176.264 176.300 0.169 0.000 1.123 100 R CA -0.669 55.476 56.100 0.074 0.000 1.064 100 R CB 1.581 31.922 30.300 0.069 0.000 1.205 100 R HN 1.403 nan 8.270 nan 0.000 0.503 101 G N 0.685 109.515 108.800 0.050 0.000 2.829 101 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.628 101 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.628 101 G C -2.172 172.708 174.900 -0.034 0.000 1.412 101 G CA -0.797 44.311 45.100 0.012 0.000 0.864 101 G HN 0.445 nan 8.290 nan 0.000 0.544 102 P HA 0.198 nan 4.420 nan 0.000 0.220 102 P C 0.444 177.447 177.300 -0.495 0.000 1.152 102 P CA 1.089 63.798 63.100 -0.652 0.000 0.812 102 P CB 0.127 30.960 31.700 -1.444 0.000 0.792 103 F N -0.975 119.093 119.950 0.198 0.000 2.546 103 F HA 0.471 4.998 4.527 -0.000 0.000 0.320 103 F C -2.344 173.181 175.800 -0.458 0.000 1.076 103 F CA -3.338 54.634 58.000 -0.046 0.000 0.928 103 F CB 0.984 39.881 39.000 -0.172 0.000 1.189 103 F HN -0.411 nan 8.300 nan 0.000 0.465 104 P HA 0.154 nan 4.420 nan 0.000 0.267 104 P C -2.531 174.462 177.300 -0.511 0.000 1.209 104 P CA -0.859 61.508 63.100 -1.222 0.000 0.763 104 P CB -0.057 31.146 31.700 -0.829 0.000 0.816 105 P HA 0.147 nan 4.420 nan 0.000 0.271 105 P C -0.821 176.269 177.300 -0.350 0.000 1.218 105 P CA 0.078 62.982 63.100 -0.326 0.000 0.780 105 P CB 0.560 32.092 31.700 -0.281 0.000 0.901 106 V N 3.060 122.737 119.914 -0.396 0.000 2.444 106 V HA 0.237 4.357 4.120 -0.000 0.000 0.294 106 V C -0.072 175.847 176.094 -0.291 0.000 1.022 106 V CA -0.196 61.925 62.300 -0.297 0.000 0.850 106 V CB 1.598 33.199 31.823 -0.370 0.000 0.992 106 V HN 0.696 nan 8.190 nan 0.000 0.426 107 W N 1.229 122.512 121.300 -0.028 0.000 2.630 107 W HA 0.185 4.845 4.660 -0.000 0.000 0.275 107 W C 1.409 177.925 176.519 -0.006 0.000 1.192 107 W CA -0.096 57.236 57.345 -0.021 0.000 1.410 107 W CB 0.189 29.631 29.460 -0.029 0.000 1.075 107 W HN 0.500 nan 8.180 nan 0.000 0.581 108 N N 2.262 121.091 118.700 0.215 0.000 2.365 108 N HA -0.061 4.679 4.740 -0.000 0.000 0.265 108 N C -1.780 173.810 175.510 0.132 0.000 1.288 108 N CA -0.273 52.862 53.050 0.141 0.000 0.869 108 N CB 1.288 39.837 38.487 0.104 0.000 1.071 108 N HN -0.124 nan 8.380 nan 0.000 0.480 109 P HA -0.111 nan 4.420 nan 0.000 0.215 109 P C 1.556 178.934 177.300 0.129 0.000 1.153 109 P CA 0.799 63.962 63.100 0.104 0.000 0.853 109 P CB 0.316 32.055 31.700 0.065 0.000 0.788 110 I N -0.734 119.893 120.570 0.095 0.000 2.202 110 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 110 I C 1.991 178.167 176.117 0.099 0.000 1.091 110 I CA 1.843 63.190 61.300 0.077 0.000 1.368 110 I CB -2.069 35.968 38.000 0.061 0.000 1.058 110 I HN 0.018 nan 8.210 nan 0.000 0.410 111 T N 0.433 115.058 114.554 0.119 0.000 2.746 111 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 111 T C 1.898 176.693 174.700 0.159 0.000 1.039 111 T CA 1.482 63.673 62.100 0.152 0.000 1.142 111 T CB -0.670 68.269 68.868 0.118 0.000 0.866 111 T HN 0.302 nan 8.240 nan 0.000 0.444 112 Y N 1.831 122.132 120.300 0.003 0.000 2.128 112 Y HA -0.151 4.399 4.550 -0.000 0.000 0.284 112 Y C 2.054 177.970 175.900 0.026 0.000 1.154 112 Y CA 1.227 59.309 58.100 -0.030 0.000 1.149 112 Y CB -0.495 37.923 38.460 -0.069 0.000 0.976 112 Y HN 0.118 nan 8.280 nan 0.000 0.505 113 L N -0.255 121.031 121.223 0.106 0.000 2.046 113 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 113 L C 2.174 179.000 176.870 -0.072 0.000 1.077 113 L CA 1.806 56.652 54.840 0.011 0.000 0.747 113 L CB -0.626 41.454 42.059 0.035 0.000 0.896 113 L HN 0.241 nan 8.230 nan 0.000 0.432 114 D N -0.991 119.398 120.400 -0.019 0.000 2.097 114 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 114 D C 2.183 178.425 176.300 -0.097 0.000 0.984 114 D CA 1.212 55.194 54.000 -0.030 0.000 0.826 114 D CB 0.079 40.898 40.800 0.032 0.000 0.973 114 D HN 0.293 nan 8.370 nan 0.000 0.460 115 H N -0.161 118.795 119.070 -0.189 0.000 2.293 115 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 115 H C 2.162 177.358 175.328 -0.220 0.000 1.082 115 H CA 1.251 57.170 56.048 -0.215 0.000 1.308 115 H CB -0.287 29.398 29.762 -0.129 0.000 1.375 115 H HN 0.282 nan 8.280 nan 0.000 0.495 116 N N 1.186 119.763 118.700 -0.205 0.000 2.061 116 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 116 N C 1.821 177.242 175.510 -0.148 0.000 1.030 116 N CA 1.110 54.019 53.050 -0.235 0.000 0.856 116 N CB -0.263 37.955 38.487 -0.448 0.000 1.023 116 N HN 0.419 nan 8.380 nan 0.000 0.424 117 N N -0.210 118.396 118.700 -0.157 0.000 2.166 117 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 117 N C 1.913 177.306 175.510 -0.195 0.000 1.019 117 N CA 0.791 53.752 53.050 -0.149 0.000 0.856 117 N CB -0.287 38.128 38.487 -0.120 0.000 0.993 117 N HN 0.245 nan 8.380 nan 0.000 0.426 118 F N 0.696 120.404 119.950 -0.402 0.000 2.075 118 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 118 F C 1.751 177.209 175.800 -0.571 0.000 1.113 118 F CA 1.677 59.335 58.000 -0.571 0.000 1.218 118 F CB -0.761 37.713 39.000 -0.876 0.000 0.984 118 F HN 0.089 nan 8.300 nan 0.000 0.472 119 W N 0.488 121.596 121.300 -0.319 0.000 2.358 119 W HA -0.094 4.566 4.660 -0.000 0.000 0.303 119 W C 2.774 179.033 176.519 -0.433 0.000 1.208 119 W CA 1.222 58.291 57.345 -0.460 0.000 1.274 119 W CB -0.662 28.572 29.460 -0.377 0.000 1.138 119 W HN -0.079 nan 8.180 nan 0.000 0.515 120 R N 0.287 120.703 120.500 -0.141 0.000 2.081 120 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 120 R C 1.927 178.090 176.300 -0.228 0.000 1.131 120 R CA 2.204 58.202 56.100 -0.170 0.000 0.960 120 R CB -0.688 29.517 30.300 -0.158 0.000 0.856 120 R HN 0.035 nan 8.270 nan 0.000 0.436 121 T N 1.331 115.705 114.554 -0.299 0.000 2.746 121 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 121 T C 1.859 176.330 174.700 -0.382 0.000 1.039 121 T CA 1.431 63.342 62.100 -0.314 0.000 1.142 121 T CB -0.057 68.622 68.868 -0.315 0.000 0.866 121 T HN 0.187 nan 8.240 nan 0.000 0.444 122 M N 1.514 120.795 119.600 -0.531 0.000 2.080 122 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 122 M C 1.863 177.991 176.300 -0.287 0.000 1.068 122 M CA 1.545 56.569 55.300 -0.460 0.000 1.109 122 M CB -0.997 31.295 32.600 -0.513 0.000 1.342 122 M HN 0.190 nan 8.290 nan 0.000 0.405 123 D N 0.464 120.722 120.400 -0.236 0.000 2.149 123 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 123 D C 1.603 177.811 176.300 -0.155 0.000 0.972 123 D CA 1.013 54.905 54.000 -0.180 0.000 0.835 123 D CB -0.313 40.393 40.800 -0.157 0.000 0.966 123 D HN 0.287 nan 8.370 nan 0.000 0.476 124 D N 0.392 120.698 120.400 -0.157 0.000 2.104 124 D HA -0.123 4.516 4.640 -0.000 0.000 0.194 124 D C 2.211 178.472 176.300 -0.065 0.000 0.994 124 D CA 0.796 54.730 54.000 -0.109 0.000 0.830 124 D CB -0.251 40.483 40.800 -0.110 0.000 0.959 124 D HN 0.237 nan 8.370 nan 0.000 0.452 125 M N 0.217 119.743 119.600 -0.124 0.000 2.117 125 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 125 M C 2.341 178.659 176.300 0.030 0.000 1.065 125 M CA 1.738 56.980 55.300 -0.096 0.000 1.114 125 M CB -0.484 31.773 32.600 -0.570 0.000 1.361 125 M HN 0.036 nan 8.290 nan 0.000 0.408 126 G N 0.082 108.834 108.800 -0.080 0.000 2.450 126 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 126 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 126 G C 1.594 176.474 174.900 -0.035 0.000 1.130 126 G CA 0.586 45.650 45.100 -0.059 0.000 0.760 126 G HN 0.412 nan 8.290 nan 0.000 0.557 127 R N 0.145 120.620 120.500 -0.041 0.000 2.241 127 R HA -0.005 4.335 4.340 -0.000 0.000 0.224 127 R C 1.534 177.826 176.300 -0.013 0.000 1.101 127 R CA 0.835 56.908 56.100 -0.045 0.000 0.995 127 R CB 0.063 30.331 30.300 -0.054 0.000 0.870 127 R HN 0.274 nan 8.270 nan 0.000 0.463 128 E N 0.239 120.471 120.200 0.053 0.000 2.479 128 E HA 0.102 4.452 4.350 -0.000 0.000 0.193 128 E C 0.007 176.624 176.600 0.028 0.000 1.049 128 E CA 0.289 56.715 56.400 0.043 0.000 0.870 128 E CB 0.445 30.197 29.700 0.086 0.000 0.944 128 E HN 0.319 nan 8.360 nan 0.000 0.492 129 I N 2.746 123.347 120.570 0.051 0.000 2.359 129 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 129 I C -2.421 173.684 176.117 -0.020 0.000 1.018 129 I CA -2.356 58.972 61.300 0.047 0.000 1.173 129 I CB 1.449 39.543 38.000 0.157 0.000 1.326 129 I HN -0.348 nan 8.210 nan 0.000 0.462 130 P HA 0.091 nan 4.420 nan 0.000 0.267 130 P C 0.536 177.788 177.300 -0.079 0.000 1.209 130 P CA 0.260 63.275 63.100 -0.140 0.000 0.763 130 P CB 0.861 32.421 31.700 -0.233 0.000 0.816 131 S N 2.250 117.918 115.700 -0.054 0.000 2.383 131 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 131 S C 1.295 175.980 174.600 0.141 0.000 1.030 131 S CA 1.844 60.087 58.200 0.071 0.000 1.002 131 S CB -0.586 62.555 63.200 -0.098 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.481 120.817 120.400 -0.107 0.000 2.340 132 D HA 0.252 4.892 4.640 -0.000 0.000 0.220 132 D C 0.292 176.358 176.300 -0.391 0.000 1.039 132 D CA 0.391 54.282 54.000 -0.181 0.000 0.866 132 D CB 0.070 40.695 40.800 -0.292 0.000 0.913 132 D HN 0.280 nan 8.370 nan 0.000 0.523 133 A N 1.078 123.502 122.820 -0.660 0.000 3.330 133 A HA 0.352 4.672 4.320 -0.000 0.000 0.256 133 A C -2.149 174.638 177.584 -1.328 0.000 1.185 133 A CA -0.780 50.356 52.037 -1.502 0.000 0.940 133 A CB 0.869 19.274 19.000 -0.993 0.000 1.397 133 A HN -0.111 nan 8.150 nan 0.000 0.678 134 P HA -0.187 nan 4.420 nan 0.000 0.218 134 P C 1.274 178.362 177.300 -0.354 0.000 1.148 134 P CA 1.601 64.391 63.100 -0.518 0.000 0.822 134 P CB -0.341 31.037 31.700 -0.537 0.000 0.784 135 W N 0.923 122.142 121.300 -0.136 0.000 2.632 135 W HA 0.084 4.744 4.660 -0.000 0.000 0.248 135 W C 1.321 177.789 176.519 -0.086 0.000 1.259 135 W CA 0.443 57.729 57.345 -0.098 0.000 1.288 135 W CB -1.445 27.953 29.460 -0.104 0.000 1.136 135 W HN -0.092 nan 8.180 nan 0.000 0.640 136 K N 0.767 120.958 120.400 -0.348 0.000 2.374 136 K HA 0.317 4.637 4.320 -0.000 0.000 0.196 136 K C 1.030 177.526 176.600 -0.172 0.000 1.023 136 K CA 0.195 56.361 56.287 -0.201 0.000 1.103 136 K CB 0.012 32.352 32.500 -0.266 0.000 0.848 136 K HN 0.091 nan 8.250 nan 0.000 0.528 137 A N 2.480 125.195 122.820 -0.176 0.000 2.565 137 A HA 0.051 4.371 4.320 -0.000 0.000 0.237 137 A C -1.624 175.822 177.584 -0.230 0.000 1.053 137 A CA -0.913 51.017 52.037 -0.178 0.000 0.755 137 A CB 0.054 18.969 19.000 -0.142 0.000 0.980 137 A HN -0.008 nan 8.150 nan 0.000 0.506 138 P HA -0.137 nan 4.420 nan 0.000 0.216 138 P C 0.544 177.641 177.300 -0.338 0.000 1.153 138 P CA 1.240 64.192 63.100 -0.247 0.000 0.858 138 P CB 0.034 31.600 31.700 -0.223 0.000 0.789 139 L N -2.035 118.823 121.223 -0.609 0.000 2.912 139 L HA 0.337 4.677 4.340 -0.000 0.000 0.240 139 L C 1.843 178.314 176.870 -0.665 0.000 1.262 139 L CA -0.308 54.075 54.840 -0.761 0.000 1.058 139 L CB -0.568 40.740 42.059 -1.253 0.000 1.383 139 L HN -0.088 nan 8.230 nan 0.000 0.512 140 A N 0.554 123.164 122.820 -0.350 0.000 1.873 140 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 140 A C 2.189 179.764 177.584 -0.015 0.000 1.193 140 A CA 1.682 53.647 52.037 -0.120 0.000 0.629 140 A CB -0.165 18.816 19.000 -0.032 0.000 0.826 140 A HN 0.511 nan 8.150 nan 0.000 0.447 141 E N -0.829 119.349 120.200 -0.037 0.000 2.051 141 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 141 E C 2.127 178.756 176.600 0.048 0.000 0.991 141 E CA 1.289 57.699 56.400 0.017 0.000 0.799 141 E CB -0.261 29.436 29.700 -0.005 0.000 0.748 141 E HN 0.828 nan 8.360 nan 0.000 0.449 142 E N 0.167 120.364 120.200 -0.005 0.000 2.058 142 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 142 E C 1.804 178.561 176.600 0.261 0.000 0.997 142 E CA 1.330 57.774 56.400 0.073 0.000 0.801 142 E CB -0.023 29.676 29.700 -0.002 0.000 0.746 142 E HN 0.285 nan 8.360 nan 0.000 0.450 143 W N 0.946 122.283 121.300 0.061 0.000 2.436 143 W HA -0.039 4.621 4.660 -0.000 0.000 0.284 143 W C 1.982 178.569 176.519 0.114 0.000 1.225 143 W CA 0.727 58.121 57.345 0.082 0.000 1.271 143 W CB -1.062 28.444 29.460 0.078 0.000 1.114 143 W HN 0.233 nan 8.180 nan 0.000 0.559 144 D N -0.224 120.372 120.400 0.326 0.000 2.224 144 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 144 D C 1.328 177.756 176.300 0.213 0.000 0.965 144 D CA 0.974 55.132 54.000 0.263 0.000 0.852 144 D CB -0.222 40.705 40.800 0.212 0.000 0.947 144 D HN -0.103 nan 8.370 nan 0.000 0.494 145 N N -0.197 118.612 118.700 0.181 0.000 2.398 145 N HA 0.081 4.821 4.740 -0.000 0.000 0.188 145 N C 0.097 175.687 175.510 0.134 0.000 1.122 145 N CA 0.168 53.301 53.050 0.138 0.000 0.866 145 N CB 0.023 38.573 38.487 0.105 0.000 0.970 145 N HN 0.468 nan 8.380 nan 0.000 0.462 146 M N -1.457 118.240 119.600 0.161 0.000 2.602 146 M HA 0.501 4.981 4.480 -0.000 0.000 0.312 146 M C -0.069 176.315 176.300 0.142 0.000 1.181 146 M CA -0.856 54.523 55.300 0.133 0.000 0.910 146 M CB 1.872 34.546 32.600 0.123 0.000 1.723 146 M HN -0.131 nan 8.290 nan 0.000 0.459 147 T N -0.995 113.625 114.554 0.111 0.000 2.847 147 T HA 0.305 4.655 4.350 -0.000 0.000 0.279 147 T C 1.078 175.824 174.700 0.077 0.000 0.984 147 T CA -0.865 61.300 62.100 0.109 0.000 0.988 147 T CB 0.896 69.819 68.868 0.093 0.000 1.040 147 T HN 0.766 nan 8.240 nan 0.000 0.528 148 M N 0.262 119.895 119.600 0.054 0.000 2.279 148 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 148 M C 2.167 178.448 176.300 -0.033 0.000 1.062 148 M CA 1.523 56.817 55.300 -0.011 0.000 1.099 148 M CB -1.278 31.242 32.600 -0.133 0.000 1.394 148 M HN 0.860 nan 8.290 nan 0.000 0.426 149 K N 0.584 120.973 120.400 -0.019 0.000 2.026 149 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 149 K C 1.686 178.274 176.600 -0.019 0.000 1.048 149 K CA 1.522 57.798 56.287 -0.018 0.000 0.929 149 K CB 0.050 32.570 32.500 0.034 0.000 0.713 149 K HN 0.389 nan 8.250 nan 0.000 0.439 150 E N 0.614 120.817 120.200 0.004 0.000 2.077 150 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 150 E C 2.052 178.645 176.600 -0.011 0.000 0.989 150 E CA 1.114 57.513 56.400 -0.001 0.000 0.800 150 E CB -0.142 29.573 29.700 0.024 0.000 0.746 150 E HN 0.186 nan 8.360 nan 0.000 0.452 151 L N 1.203 122.424 121.223 -0.004 0.000 2.017 151 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 151 L C 2.108 178.975 176.870 -0.005 0.000 1.073 151 L CA 1.574 56.405 54.840 -0.014 0.000 0.745 151 L CB -0.368 41.672 42.059 -0.032 0.000 0.894 151 L HN 0.124 nan 8.230 nan 0.000 0.432 152 L N -0.887 120.327 121.223 -0.016 0.000 2.042 152 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 152 L C 2.268 179.067 176.870 -0.118 0.000 1.076 152 L CA 1.417 56.209 54.840 -0.080 0.000 0.749 152 L CB -1.087 40.868 42.059 -0.173 0.000 0.893 152 L HN 0.282 nan 8.230 nan 0.000 0.432 153 D N 0.443 120.781 120.400 -0.104 0.000 2.149 153 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 153 D C 2.228 178.438 176.300 -0.150 0.000 0.990 153 D CA 1.227 55.151 54.000 -0.128 0.000 0.839 153 D CB -0.029 40.710 40.800 -0.101 0.000 0.948 153 D HN 0.323 nan 8.370 nan 0.000 0.460 154 K N -0.067 120.277 120.400 -0.094 0.000 2.062 154 K HA 0.031 4.351 4.320 -0.000 0.000 0.205 154 K C 2.253 178.834 176.600 -0.032 0.000 1.051 154 K CA 0.563 56.805 56.287 -0.075 0.000 0.941 154 K CB 0.041 32.529 32.500 -0.019 0.000 0.719 154 K HN 0.165 nan 8.250 nan 0.000 0.440 155 L N 0.380 121.611 121.223 0.012 0.000 2.249 155 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 155 L C 0.786 177.751 176.870 0.157 0.000 1.090 155 L CA 0.011 54.917 54.840 0.110 0.000 0.802 155 L CB 0.152 42.286 42.059 0.125 0.000 0.947 155 L HN 0.107 nan 8.230 nan 0.000 0.453 156 C N -0.083 119.210 119.300 -0.010 0.000 2.281 156 C HA 0.105 4.565 4.460 -0.000 0.000 0.336 156 C C 0.838 175.807 174.990 -0.035 0.000 1.217 156 C CA -0.893 58.085 59.018 -0.066 0.000 1.730 156 C CB -0.876 26.697 27.740 -0.278 0.000 2.338 156 C HN 0.472 nan 8.230 nan 0.000 0.521 157 W N 1.882 123.115 121.300 -0.111 0.000 3.139 157 W HA 0.132 4.792 4.660 -0.000 0.000 0.260 157 W C 1.402 177.882 176.519 -0.065 0.000 1.312 157 W CA 0.099 57.401 57.345 -0.072 0.000 1.606 157 W CB -0.108 29.323 29.460 -0.048 0.000 1.118 157 W HN 0.665 nan 8.180 nan 0.000 0.675 158 T N -3.562 111.042 114.554 0.084 0.000 2.887 158 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 158 T C 0.804 175.480 174.700 -0.040 0.000 1.021 158 T CA -0.630 61.492 62.100 0.037 0.000 1.000 158 T CB 2.601 71.512 68.868 0.071 0.000 1.034 158 T HN -0.232 nan 8.240 nan 0.000 0.467 159 E N 1.146 121.333 120.200 -0.022 0.000 2.150 159 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 159 E C 2.119 178.700 176.600 -0.031 0.000 0.985 159 E CA 1.155 57.531 56.400 -0.040 0.000 0.814 159 E CB -0.368 29.323 29.700 -0.015 0.000 0.752 159 E HN 0.740 nan 8.360 nan 0.000 0.466 160 S N 0.588 116.304 115.700 0.026 0.000 2.353 160 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 160 S C 2.088 176.689 174.600 0.003 0.000 1.035 160 S CA 1.630 59.898 58.200 0.113 0.000 1.025 160 S CB -0.105 63.243 63.200 0.246 0.000 0.902 160 S HN 0.299 nan 8.310 nan 0.000 0.440 161 A N 1.183 123.842 122.820 -0.268 0.000 1.902 161 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 161 A C 2.188 179.393 177.584 -0.631 0.000 1.181 161 A CA 1.837 53.373 52.037 -0.836 0.000 0.623 161 A CB -0.728 17.787 19.000 -0.809 0.000 0.818 161 A HN 0.649 nan 8.150 nan 0.000 0.443 162 K N -0.570 119.583 120.400 -0.412 0.000 2.097 162 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 162 K C 2.239 178.690 176.600 -0.248 0.000 1.049 162 K CA 1.641 57.708 56.287 -0.366 0.000 0.933 162 K CB -0.165 32.193 32.500 -0.235 0.000 0.717 162 K HN 0.643 nan 8.250 nan 0.000 0.442 163 Q N 0.230 119.949 119.800 -0.135 0.000 2.046 163 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 163 Q C 2.088 178.101 176.000 0.023 0.000 0.975 163 Q CA 1.241 57.029 55.803 -0.025 0.000 0.836 163 Q CB -0.064 28.699 28.738 0.042 0.000 0.896 163 Q HN 0.200 nan 8.270 nan 0.000 0.428 164 L N 0.433 121.668 121.223 0.021 0.000 2.056 164 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 164 L C 2.108 179.052 176.870 0.123 0.000 1.078 164 L CA 1.845 56.764 54.840 0.132 0.000 0.749 164 L CB -0.722 41.466 42.059 0.214 0.000 0.901 164 L HN 0.136 nan 8.230 nan 0.000 0.433 165 A N -1.699 120.995 122.820 -0.210 0.000 1.933 165 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 165 A C 2.257 179.826 177.584 -0.026 0.000 1.175 165 A CA 2.233 54.075 52.037 -0.326 0.000 0.628 165 A CB -1.123 17.147 19.000 -1.218 0.000 0.814 165 A HN 0.485 nan 8.150 nan 0.000 0.444 166 T N 0.107 114.614 114.554 -0.079 0.000 2.708 166 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 166 T C 1.869 176.604 174.700 0.059 0.000 1.037 166 T CA 1.387 63.469 62.100 -0.030 0.000 1.146 166 T CB -0.396 68.449 68.868 -0.038 0.000 0.865 166 T HN 0.390 nan 8.240 nan 0.000 0.435 167 L N 0.092 121.391 121.223 0.126 0.000 2.042 167 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 167 L C 2.228 179.219 176.870 0.203 0.000 1.076 167 L CA 1.528 56.470 54.840 0.170 0.000 0.749 167 L CB -0.385 41.805 42.059 0.218 0.000 0.893 167 L HN 0.226 nan 8.230 nan 0.000 0.432 168 F N -0.429 119.610 119.950 0.148 0.000 2.091 168 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 168 F C 2.119 178.041 175.800 0.203 0.000 1.103 168 F CA 2.172 60.302 58.000 0.217 0.000 1.228 168 F CB -0.435 38.837 39.000 0.453 0.000 0.984 168 F HN -0.136 nan 8.300 nan 0.000 0.477 169 V N 0.956 120.977 119.914 0.179 0.000 2.261 169 V HA -0.364 3.756 4.120 -0.000 0.000 0.246 169 V C 2.010 178.047 176.094 -0.096 0.000 1.047 169 V CA 2.489 64.692 62.300 -0.162 0.000 1.015 169 V CB -1.069 30.486 31.823 -0.447 0.000 0.642 169 V HN 0.417 nan 8.190 nan 0.000 0.446 170 N N 0.022 118.687 118.700 -0.059 0.000 2.094 170 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 170 N C 1.768 177.248 175.510 -0.050 0.000 1.023 170 N CA 1.482 54.500 53.050 -0.054 0.000 0.857 170 N CB -0.219 38.272 38.487 0.007 0.000 1.013 170 N HN 0.347 nan 8.380 nan 0.000 0.426 171 L N 0.810 122.019 121.223 -0.024 0.000 2.072 171 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 171 L C 2.105 178.983 176.870 0.014 0.000 1.079 171 L CA 1.458 56.283 54.840 -0.025 0.000 0.752 171 L CB -0.570 41.436 42.059 -0.089 0.000 0.906 171 L HN 0.210 nan 8.230 nan 0.000 0.436 172 C N -1.194 118.079 119.300 -0.044 0.000 2.429 172 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 172 C C 2.239 177.370 174.990 0.234 0.000 1.262 172 C CA 1.018 60.081 59.018 0.076 0.000 1.733 172 C CB -0.686 27.033 27.740 -0.034 0.000 2.010 172 C HN 0.584 nan 8.230 nan 0.000 0.483 173 V N -2.071 117.903 119.914 0.100 0.000 3.252 173 V HA 0.303 4.423 4.120 -0.000 0.000 0.320 173 V C 0.781 176.774 176.094 -0.167 0.000 1.459 173 V CA 0.774 63.090 62.300 0.025 0.000 1.095 173 V CB -1.347 30.614 31.823 0.230 0.000 0.997 173 V HN 0.527 nan 8.190 nan 0.000 0.469 174 T N -1.430 112.937 114.554 -0.312 0.000 3.760 174 T HA -0.100 4.250 4.350 -0.000 0.000 0.366 174 T C 0.141 174.689 174.700 -0.254 0.000 0.761 174 T CA 1.351 63.237 62.100 -0.357 0.000 1.887 174 T CB -2.558 65.953 68.868 -0.595 0.000 1.811 174 T HN 2.427 nan 8.240 nan 0.000 0.749 175 A N -0.300 122.363 122.820 -0.261 0.000 2.594 175 A HA 0.735 5.055 4.320 -0.000 0.000 0.291 175 A C -0.358 177.029 177.584 -0.327 0.000 1.105 175 A CA -1.056 50.748 52.037 -0.389 0.000 0.694 175 A CB 1.236 19.771 19.000 -0.775 0.000 1.291 175 A HN 0.348 nan 8.150 nan 0.000 0.410 176 E N 0.520 120.479 120.200 -0.402 0.000 2.373 176 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 176 E C 1.229 177.536 176.600 -0.488 0.000 1.073 176 E CA 0.556 56.682 56.400 -0.458 0.000 0.894 176 E CB 0.830 30.062 29.700 -0.779 0.000 1.008 176 E HN 0.792 nan 8.360 nan 0.000 0.420 177 T N -1.312 113.029 114.554 -0.355 0.000 2.833 177 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 177 T C 1.458 176.049 174.700 -0.182 0.000 1.054 177 T CA 1.643 63.597 62.100 -0.243 0.000 1.135 177 T CB -0.389 68.388 68.868 -0.151 0.000 0.869 177 T HN 0.625 nan 8.240 nan 0.000 0.466 178 H N 0.726 119.753 119.070 -0.072 0.000 2.547 178 H HA 0.234 4.790 4.556 -0.000 0.000 0.272 178 H C 1.493 176.805 175.328 -0.026 0.000 0.989 178 H CA 0.855 56.878 56.048 -0.042 0.000 1.214 178 H CB -0.209 29.526 29.762 -0.046 0.000 1.389 178 H HN 0.499 nan 8.280 nan 0.000 0.577 179 E N 1.379 121.406 120.200 -0.289 0.000 2.230 179 E HA 0.037 4.387 4.350 -0.000 0.000 0.192 179 E C 0.814 177.407 176.600 -0.011 0.000 0.987 179 E CA 0.488 56.806 56.400 -0.138 0.000 0.841 179 E CB 0.736 30.205 29.700 -0.384 0.000 0.783 179 E HN 0.367 nan 8.360 nan 0.000 0.481 180 V N -1.006 118.894 119.914 -0.022 0.000 2.667 180 V HA 0.416 4.536 4.120 -0.000 0.000 0.308 180 V C 0.004 176.260 176.094 0.270 0.000 1.048 180 V CA -1.171 61.234 62.300 0.174 0.000 0.928 180 V CB 1.841 33.829 31.823 0.275 0.000 1.004 180 V HN -0.028 nan 8.190 nan 0.000 0.444 181 S N 3.287 119.219 115.700 0.387 0.000 2.560 181 S HA 0.447 4.917 4.470 -0.000 0.000 0.284 181 S C 1.426 176.290 174.600 0.440 0.000 1.327 181 S CA 0.199 58.633 58.200 0.389 0.000 1.055 181 S CB 0.986 64.446 63.200 0.433 0.000 0.868 181 S HN 1.752 nan 8.310 nan 0.000 0.506 182 A N 4.747 127.754 122.820 0.312 0.000 1.898 182 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 182 A C 2.027 179.792 177.584 0.301 0.000 1.181 182 A CA 1.556 53.746 52.037 0.255 0.000 0.620 182 A CB -0.947 18.124 19.000 0.119 0.000 0.819 182 A HN 0.966 nan 8.150 nan 0.000 0.442 183 L N -1.339 120.106 121.223 0.371 0.000 2.012 183 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 183 L C 2.229 179.339 176.870 0.399 0.000 1.073 183 L CA 2.623 57.711 54.840 0.413 0.000 0.748 183 L CB -0.854 41.448 42.059 0.404 0.000 0.891 183 L HN 0.660 nan 8.230 nan 0.000 0.431 184 W N -0.533 120.941 121.300 0.290 0.000 2.355 184 W HA -0.290 4.370 4.660 -0.000 0.000 0.309 184 W C 2.364 179.169 176.519 0.475 0.000 1.206 184 W CA 2.008 59.548 57.345 0.325 0.000 1.284 184 W CB -0.727 28.912 29.460 0.299 0.000 1.145 184 W HN 0.293 nan 8.180 nan 0.000 0.502 185 F N 0.705 120.722 119.950 0.111 0.000 2.146 185 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 185 F C 2.101 177.831 175.800 -0.116 0.000 1.096 185 F CA 2.110 59.985 58.000 -0.208 0.000 1.275 185 F CB -0.657 38.383 39.000 0.067 0.000 1.008 185 F HN -0.171 nan 8.300 nan 0.000 0.480 186 L N -1.288 119.960 121.223 0.041 0.000 2.083 186 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 186 L C 2.283 179.075 176.870 -0.131 0.000 1.083 186 L CA 1.591 56.384 54.840 -0.079 0.000 0.752 186 L CB -0.982 41.046 42.059 -0.052 0.000 0.899 186 L HN 0.447 nan 8.230 nan 0.000 0.433 187 W N 0.019 121.193 121.300 -0.211 0.000 2.355 187 W HA -0.307 4.353 4.660 -0.000 0.000 0.309 187 W C 2.614 178.919 176.519 -0.357 0.000 1.206 187 W CA 1.500 58.703 57.345 -0.236 0.000 1.284 187 W CB -0.579 28.780 29.460 -0.168 0.000 1.145 187 W HN 0.114 nan 8.180 nan 0.000 0.502 188 Y N 0.617 120.454 120.300 -0.772 0.000 2.165 188 Y HA -0.279 4.271 4.550 -0.000 0.000 0.286 188 Y C 2.349 177.688 175.900 -0.936 0.000 1.155 188 Y CA 2.893 60.336 58.100 -1.096 0.000 1.164 188 Y CB -0.822 36.952 38.460 -1.144 0.000 0.978 188 Y HN -0.132 nan 8.280 nan 0.000 0.513 189 V N 0.903 120.363 119.914 -0.756 0.000 2.307 189 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 189 V C 2.520 178.263 176.094 -0.586 0.000 1.045 189 V CA 2.181 64.118 62.300 -0.605 0.000 1.024 189 V CB -0.681 30.893 31.823 -0.414 0.000 0.651 189 V HN 0.306 nan 8.190 nan 0.000 0.449 190 K N 1.127 121.209 120.400 -0.531 0.000 2.063 190 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 190 K C 2.122 178.366 176.600 -0.593 0.000 1.048 190 K CA 2.390 58.400 56.287 -0.462 0.000 0.928 190 K CB -0.210 32.089 32.500 -0.335 0.000 0.713 190 K HN 0.710 nan 8.250 nan 0.000 0.442 191 Q N -0.750 118.550 119.800 -0.832 0.000 2.482 191 Q HA 0.002 4.342 4.340 -0.000 0.000 0.209 191 Q C 1.279 176.752 176.000 -0.878 0.000 0.961 191 Q CA 0.899 56.207 55.803 -0.825 0.000 0.945 191 Q CB -0.477 27.623 28.738 -1.063 0.000 1.012 191 Q HN 0.150 nan 8.270 nan 0.000 0.515 192 C N 0.413 119.058 119.300 -1.092 0.000 2.688 192 C HA 0.638 5.098 4.460 -0.000 0.000 0.297 192 C C 1.497 175.766 174.990 -1.202 0.000 1.308 192 C CA 0.044 58.061 59.018 -1.670 0.000 1.726 192 C CB -0.926 25.859 27.740 -1.592 0.000 1.982 192 C HN 0.825 nan 8.230 nan 0.000 0.604 193 G N 0.388 108.775 108.800 -0.688 0.000 2.157 193 G HA2 0.248 4.208 3.960 -0.000 0.000 0.248 193 G HA3 0.248 4.208 3.960 -0.000 0.000 0.248 193 G C 0.490 175.216 174.900 -0.289 0.000 0.979 193 G CA 0.103 44.974 45.100 -0.382 0.000 0.650 193 G HN 1.679 nan 8.290 nan 0.000 0.529 194 G N -2.343 106.256 108.800 -0.335 0.000 2.525 194 G HA2 0.344 4.304 3.960 -0.000 0.000 0.685 194 G HA3 0.344 4.304 3.960 -0.000 0.000 0.685 194 G C 1.002 175.812 174.900 -0.149 0.000 1.290 194 G CA 0.949 45.913 45.100 -0.227 0.000 0.915 194 G HN 1.852 nan 8.290 nan 0.000 0.548 195 T N -2.867 111.627 114.554 -0.100 0.000 2.684 195 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 195 T C 2.353 177.033 174.700 -0.034 0.000 1.036 195 T CA 3.026 65.106 62.100 -0.033 0.000 1.148 195 T CB -0.868 67.883 68.868 -0.194 0.000 0.863 195 T HN 0.998 nan 8.240 nan 0.000 0.436 196 T N 1.317 115.829 114.554 -0.069 0.000 2.708 196 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 196 T C 2.136 176.910 174.700 0.123 0.000 1.037 196 T CA 1.523 63.674 62.100 0.085 0.000 1.146 196 T CB -0.327 68.611 68.868 0.116 0.000 0.865 196 T HN 0.300 nan 8.240 nan 0.000 0.435 197 R N 0.951 121.480 120.500 0.049 0.000 2.081 197 R HA 0.130 4.470 4.340 -0.000 0.000 0.235 197 R C 2.244 178.627 176.300 0.139 0.000 1.131 197 R CA 1.159 57.307 56.100 0.081 0.000 0.960 197 R CB -0.890 29.420 30.300 0.016 0.000 0.856 197 R HN 0.463 nan 8.270 nan 0.000 0.436 198 I N -0.556 120.031 120.570 0.028 0.000 2.394 198 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 198 I C 1.490 177.690 176.117 0.139 0.000 1.136 198 I CA 1.193 62.528 61.300 0.059 0.000 1.425 198 I CB 0.105 38.043 38.000 -0.104 0.000 1.079 198 I HN 0.253 nan 8.210 nan 0.000 0.425 199 I N -0.471 120.191 120.570 0.155 0.000 3.462 199 I HA 0.079 4.249 4.170 -0.000 0.000 0.290 199 I C 1.080 177.275 176.117 0.132 0.000 1.236 199 I CA 0.384 61.771 61.300 0.146 0.000 1.418 199 I CB 0.167 38.347 38.000 0.300 0.000 1.102 199 I HN -0.035 nan 8.210 nan 0.000 0.441 200 S N -0.010 115.772 115.700 0.136 0.000 2.580 200 S HA 0.166 4.636 4.470 -0.000 0.000 0.274 200 S C 1.206 175.814 174.600 0.013 0.000 1.329 200 S CA -0.126 58.112 58.200 0.063 0.000 1.036 200 S CB 1.331 64.554 63.200 0.038 0.000 0.919 200 S HN 0.281 nan 8.310 nan 0.000 0.515 201 T N 2.323 116.862 114.554 -0.025 0.000 2.824 201 T HA 0.011 4.361 4.350 -0.000 0.000 0.238 201 T C 0.630 175.292 174.700 -0.063 0.000 1.067 201 T CA 0.695 62.757 62.100 -0.065 0.000 1.286 201 T CB -0.390 68.432 68.868 -0.076 0.000 0.980 201 T HN 0.624 nan 8.240 nan 0.000 0.414 202 T N 3.420 117.935 114.554 -0.067 0.000 2.871 202 T HA 0.104 4.454 4.350 -0.000 0.000 0.296 202 T C 0.757 175.430 174.700 -0.044 0.000 0.998 202 T CA 0.419 62.485 62.100 -0.057 0.000 1.162 202 T CB -0.114 68.718 68.868 -0.060 0.000 0.947 202 T HN 0.530 nan 8.240 nan 0.000 0.536 203 N N 0.584 119.266 118.700 -0.031 0.000 2.800 203 N HA -0.150 4.590 4.740 -0.000 0.000 0.250 203 N C 0.194 175.716 175.510 0.019 0.000 1.078 203 N CA 1.516 54.561 53.050 -0.008 0.000 0.804 203 N CB -1.063 37.423 38.487 -0.003 0.000 1.135 203 N HN 0.942 nan 8.380 nan 0.000 0.565 204 G N -3.075 105.731 108.800 0.011 0.000 3.086 204 G HA2 0.570 4.530 3.960 -0.000 0.000 0.282 204 G HA3 0.570 4.530 3.960 -0.000 0.000 0.282 204 G C 0.990 175.896 174.900 0.010 0.000 1.343 204 G CA -0.044 45.094 45.100 0.064 0.000 0.895 204 G HN 0.287 nan 8.290 nan 0.000 0.557 205 G N -0.946 107.901 108.800 0.079 0.000 2.479 205 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 205 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 205 G C 1.185 176.029 174.900 -0.094 0.000 1.115 205 G CA 0.961 46.001 45.100 -0.099 0.000 0.757 205 G HN 0.405 nan 8.290 nan 0.000 0.560 206 Q N -0.465 119.284 119.800 -0.085 0.000 2.204 206 Q HA 0.269 4.609 4.340 -0.000 0.000 0.209 206 Q C 1.671 177.575 176.000 -0.160 0.000 0.861 206 Q CA -0.109 55.572 55.803 -0.203 0.000 0.971 206 Q CB 0.688 29.205 28.738 -0.368 0.000 1.095 206 Q HN 0.629 nan 8.270 nan 0.000 0.486 207 E N 0.581 120.712 120.200 -0.115 0.000 2.110 207 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 207 E C -0.045 176.481 176.600 -0.124 0.000 0.988 207 E CA 0.836 57.171 56.400 -0.108 0.000 0.804 207 E CB 0.414 30.053 29.700 -0.102 0.000 0.745 207 E HN 0.153 nan 8.360 nan 0.000 0.458 208 R N -0.949 119.458 120.500 -0.154 0.000 2.799 208 R HA 0.459 4.799 4.340 -0.000 0.000 0.270 208 R C -1.111 174.985 176.300 -0.340 0.000 1.010 208 R CA -0.748 55.185 56.100 -0.279 0.000 0.916 208 R CB 2.008 32.126 30.300 -0.303 0.000 1.228 208 R HN -0.176 nan 8.270 nan 0.000 0.469 209 K N 0.685 120.727 120.400 -0.598 0.000 2.444 209 K HA 0.431 4.751 4.320 -0.000 0.000 0.252 209 K C -1.140 175.144 176.600 -0.526 0.000 0.993 209 K CA -0.703 55.236 56.287 -0.579 0.000 0.847 209 K CB 1.622 33.823 32.500 -0.498 0.000 1.340 209 K HN 0.248 nan 8.250 nan 0.000 0.446 210 F N 1.203 121.097 119.950 -0.093 0.000 2.427 210 F HA 0.119 4.646 4.527 -0.000 0.000 0.352 210 F C 0.530 176.393 175.800 0.105 0.000 1.100 210 F CA -0.882 57.111 58.000 -0.013 0.000 1.191 210 F CB 0.849 39.815 39.000 -0.055 0.000 1.128 210 F HN 0.023 nan 8.300 nan 0.000 0.533 211 V N 3.978 124.107 119.914 0.358 0.000 2.509 211 V HA 0.180 4.300 4.120 -0.000 0.000 0.297 211 V C 0.974 176.973 176.094 -0.159 0.000 1.014 211 V CA 1.331 63.760 62.300 0.215 0.000 1.127 211 V CB 0.002 31.925 31.823 0.168 0.000 0.925 211 V HN 1.121 nan 8.190 nan 0.000 0.480 212 G N 3.259 111.558 108.800 -0.835 0.000 2.195 212 G HA2 0.154 4.114 3.960 -0.000 0.000 0.246 212 G HA3 0.154 4.114 3.960 -0.000 0.000 0.246 212 G C 0.778 175.161 174.900 -0.862 0.000 0.984 212 G CA -0.086 44.241 45.100 -1.289 0.000 0.633 212 G HN 2.438 nan 8.290 nan 0.000 0.525 213 G N -1.413 107.177 108.800 -0.349 0.000 2.650 213 G HA2 0.374 4.333 3.960 -0.000 0.000 0.686 213 G HA3 0.374 4.333 3.960 -0.000 0.000 0.686 213 G C 0.823 175.744 174.900 0.035 0.000 1.205 213 G CA 0.865 45.954 45.100 -0.017 0.000 0.781 213 G HN 1.878 nan 8.290 nan 0.000 0.648 214 S N 0.061 115.834 115.700 0.121 0.000 2.453 214 S HA 0.116 4.586 4.470 -0.000 0.000 0.231 214 S C 2.579 177.177 174.600 -0.003 0.000 1.005 214 S CA 1.672 59.954 58.200 0.136 0.000 0.949 214 S CB -0.154 63.166 63.200 0.201 0.000 0.774 214 S HN 2.218 nan 8.310 nan 0.000 0.510 215 G N 1.325 110.131 108.800 0.010 0.000 2.499 215 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.221 215 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.221 215 G C 1.449 176.323 174.900 -0.043 0.000 1.109 215 G CA 0.733 45.840 45.100 0.010 0.000 0.749 215 G HN 0.642 nan 8.290 nan 0.000 0.568 216 Q N -0.319 119.421 119.800 -0.101 0.000 2.226 216 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 216 Q C 2.747 178.651 176.000 -0.159 0.000 0.975 216 Q CA 0.850 56.572 55.803 -0.135 0.000 0.866 216 Q CB -0.113 28.518 28.738 -0.178 0.000 0.915 216 Q HN 0.444 nan 8.270 nan 0.000 0.440 217 V N 0.238 120.032 119.914 -0.200 0.000 2.233 217 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 217 V C 2.130 178.160 176.094 -0.107 0.000 1.050 217 V CA 2.155 64.338 62.300 -0.197 0.000 1.010 217 V CB -0.635 31.059 31.823 -0.215 0.000 0.637 217 V HN 0.293 nan 8.190 nan 0.000 0.444 218 S N -0.667 114.995 115.700 -0.062 0.000 2.368 218 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 218 S C 1.919 176.498 174.600 -0.036 0.000 1.029 218 S CA 1.524 59.705 58.200 -0.032 0.000 0.988 218 S CB -0.292 62.911 63.200 0.006 0.000 0.838 218 S HN 0.682 nan 8.310 nan 0.000 0.462 219 E N 0.997 121.175 120.200 -0.036 0.000 2.051 219 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 219 E C 2.350 178.919 176.600 -0.051 0.000 0.991 219 E CA 0.923 57.302 56.400 -0.034 0.000 0.799 219 E CB -0.085 29.595 29.700 -0.034 0.000 0.748 219 E HN 0.354 nan 8.360 nan 0.000 0.449 220 R N 0.166 120.624 120.500 -0.070 0.000 2.148 220 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 220 R C 2.321 178.578 176.300 -0.071 0.000 1.088 220 R CA 0.722 56.778 56.100 -0.073 0.000 0.985 220 R CB -0.112 30.134 30.300 -0.090 0.000 0.880 220 R HN 0.219 nan 8.270 nan 0.000 0.451 221 I N 0.606 121.132 120.570 -0.073 0.000 2.252 221 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 221 I C 2.639 178.706 176.117 -0.084 0.000 1.102 221 I CA 1.101 62.356 61.300 -0.076 0.000 1.385 221 I CB -0.165 37.795 38.000 -0.067 0.000 1.064 221 I HN 0.201 nan 8.210 nan 0.000 0.414 222 M N 0.859 120.419 119.600 -0.066 0.000 2.108 222 M HA -0.267 4.213 4.480 -0.000 0.000 0.261 222 M C 1.649 177.909 176.300 -0.066 0.000 1.066 222 M CA 1.992 57.254 55.300 -0.063 0.000 1.107 222 M CB -0.234 32.341 32.600 -0.041 0.000 1.356 222 M HN 0.160 nan 8.290 nan 0.000 0.406 223 D N 0.651 121.016 120.400 -0.059 0.000 2.123 223 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 223 D C 2.022 178.283 176.300 -0.064 0.000 0.992 223 D CA 1.437 55.406 54.000 -0.052 0.000 0.833 223 D CB -0.508 40.264 40.800 -0.046 0.000 0.954 223 D HN 0.425 nan 8.370 nan 0.000 0.455 224 L N 0.034 121.207 121.223 -0.083 0.000 2.046 224 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 224 L C 2.424 179.185 176.870 -0.181 0.000 1.077 224 L CA 0.732 55.508 54.840 -0.108 0.000 0.747 224 L CB -0.261 41.729 42.059 -0.115 0.000 0.896 224 L HN 0.035 nan 8.230 nan 0.000 0.432 225 L N -1.126 119.976 121.223 -0.202 0.000 2.418 225 L HA 0.110 4.450 4.340 -0.000 0.000 0.218 225 L C 1.659 178.450 176.870 -0.131 0.000 1.125 225 L CA 0.406 55.094 54.840 -0.252 0.000 0.835 225 L CB -0.742 41.189 42.059 -0.213 0.000 0.953 225 L HN 0.452 nan 8.230 nan 0.000 0.454 226 G N 1.935 110.685 108.800 -0.085 0.000 2.611 226 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.301 226 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.301 226 G C 0.454 175.334 174.900 -0.033 0.000 1.233 226 G CA 0.576 45.649 45.100 -0.045 0.000 0.993 226 G HN 0.533 nan 8.290 nan 0.000 0.553 227 D N 0.742 121.134 120.400 -0.014 0.000 2.378 227 D HA 0.045 4.685 4.640 -0.000 0.000 0.227 227 D C 2.037 178.338 176.300 0.003 0.000 1.012 227 D CA 0.878 54.878 54.000 -0.000 0.000 0.905 227 D CB -0.297 40.511 40.800 0.013 0.000 0.895 227 D HN 0.631 nan 8.370 nan 0.000 0.532 228 R N -0.142 120.351 120.500 -0.013 0.000 2.237 228 R HA 0.079 4.419 4.340 -0.000 0.000 0.219 228 R C 0.167 176.442 176.300 -0.041 0.000 1.080 228 R CA 0.331 56.422 56.100 -0.015 0.000 0.995 228 R CB 0.199 30.483 30.300 -0.027 0.000 0.875 228 R HN 0.118 nan 8.270 nan 0.000 0.462 229 V N 2.869 122.754 119.914 -0.047 0.000 2.406 229 V HA 0.125 4.245 4.120 -0.000 0.000 0.272 229 V C -0.123 175.943 176.094 -0.047 0.000 1.043 229 V CA -0.462 61.804 62.300 -0.057 0.000 0.915 229 V CB 1.378 33.169 31.823 -0.053 0.000 0.988 229 V HN 0.031 nan 8.190 nan 0.000 0.466 230 K N 6.450 126.808 120.400 -0.071 0.000 2.316 230 K HA 0.546 4.866 4.320 -0.000 0.000 0.267 230 K C -0.703 175.861 176.600 -0.060 0.000 1.025 230 K CA -0.311 55.944 56.287 -0.052 0.000 0.896 230 K CB 1.868 34.325 32.500 -0.071 0.000 1.124 230 K HN 0.503 nan 8.250 nan 0.000 0.451 231 L N 1.639 122.839 121.223 -0.037 0.000 2.399 231 L HA 0.185 4.525 4.340 -0.000 0.000 0.266 231 L C 0.692 177.536 176.870 -0.044 0.000 1.114 231 L CA -0.228 54.586 54.840 -0.043 0.000 0.804 231 L CB 0.293 42.337 42.059 -0.026 0.000 1.146 231 L HN 0.698 nan 8.230 nan 0.000 0.451 232 E N 0.654 120.813 120.200 -0.068 0.000 2.389 232 E HA -0.233 4.117 4.350 -0.000 0.000 0.243 232 E C -0.481 176.077 176.600 -0.070 0.000 1.154 232 E CA 0.287 56.644 56.400 -0.072 0.000 0.723 232 E CB -0.827 28.853 29.700 -0.034 0.000 1.261 232 E HN 0.371 nan 8.360 nan 0.000 0.390 233 R N 0.168 120.610 120.500 -0.097 0.000 2.724 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 233 R C -2.710 173.514 176.300 -0.127 0.000 1.481 233 R CA -1.975 54.077 56.100 -0.080 0.000 1.652 233 R CB 0.604 30.864 30.300 -0.067 0.000 1.175 233 R HN -0.010 nan 8.270 nan 0.000 0.613 234 P HA 0.007 nan 4.420 nan 0.000 0.271 234 P C -0.315 176.947 177.300 -0.063 0.000 1.226 234 P CA -0.143 62.853 63.100 -0.172 0.000 0.765 234 P CB 0.921 32.532 31.700 -0.148 0.000 0.835 235 V N 5.538 125.425 119.914 -0.044 0.000 2.555 235 V HA 0.059 4.179 4.120 -0.000 0.000 0.286 235 V C 1.692 177.801 176.094 0.025 0.000 1.044 235 V CA 0.444 62.737 62.300 -0.011 0.000 1.026 235 V CB 0.362 32.169 31.823 -0.027 0.000 0.981 235 V HN 0.535 nan 8.190 nan 0.000 0.480 236 I N 1.732 122.328 120.570 0.042 0.000 4.323 236 I HA 0.451 4.621 4.170 -0.000 0.000 0.328 236 I C -0.033 176.170 176.117 0.143 0.000 1.310 236 I CA 0.094 61.446 61.300 0.086 0.000 1.186 236 I CB 0.625 38.650 38.000 0.042 0.000 1.130 236 I HN 0.501 nan 8.210 nan 0.000 0.411 237 Y N 1.836 122.080 120.300 -0.093 0.000 2.436 237 Y HA 0.681 5.231 4.550 -0.000 0.000 0.327 237 Y C -1.957 173.863 175.900 -0.134 0.000 1.138 237 Y CA -1.597 56.431 58.100 -0.119 0.000 1.042 237 Y CB 1.607 40.027 38.460 -0.066 0.000 1.302 237 Y HN -0.006 nan 8.280 nan 0.000 0.439 238 I N 5.842 125.991 120.570 -0.702 0.000 2.478 238 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 238 I C -1.385 174.345 176.117 -0.645 0.000 1.042 238 I CA -0.693 60.276 61.300 -0.552 0.000 1.067 238 I CB 1.853 39.681 38.000 -0.288 0.000 1.233 238 I HN 0.518 nan 8.210 nan 0.000 0.431 239 D N 6.083 126.161 120.400 -0.537 0.000 2.425 239 D HA 0.274 4.914 4.640 -0.000 0.000 0.240 239 D C -0.236 175.992 176.300 -0.120 0.000 1.080 239 D CA -0.183 53.612 54.000 -0.341 0.000 0.836 239 D CB 1.657 42.290 40.800 -0.279 0.000 1.125 239 D HN 0.513 nan 8.370 nan 0.000 0.525 240 Q N 1.736 121.507 119.800 -0.048 0.000 2.172 240 Q HA 0.073 4.413 4.340 -0.000 0.000 0.217 240 Q C 1.153 177.152 176.000 -0.002 0.000 0.832 240 Q CA 0.013 55.807 55.803 -0.015 0.000 1.010 240 Q CB 0.829 29.574 28.738 0.011 0.000 1.133 240 Q HN 0.564 nan 8.270 nan 0.000 0.489 241 T N -2.604 111.953 114.554 0.005 0.000 3.088 241 T HA 0.133 4.483 4.350 -0.000 0.000 0.259 241 T C 0.918 175.624 174.700 0.010 0.000 1.122 241 T CA 0.189 62.299 62.100 0.017 0.000 1.095 241 T CB 0.308 69.197 68.868 0.034 0.000 0.930 241 T HN 0.049 nan 8.240 nan 0.000 0.508 242 R N 0.139 120.640 120.500 0.001 0.000 2.893 242 R HA 0.483 4.823 4.340 -0.000 0.000 0.245 242 R C 1.362 177.652 176.300 -0.017 0.000 1.192 242 R CA -0.800 55.299 56.100 -0.002 0.000 1.077 242 R CB 0.852 31.154 30.300 0.003 0.000 1.253 242 R HN 0.058 nan 8.270 nan 0.000 0.505 243 E N 0.625 120.814 120.200 -0.019 0.000 2.077 243 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 243 E C -0.292 176.275 176.600 -0.054 0.000 0.989 243 E CA 1.111 57.492 56.400 -0.032 0.000 0.800 243 E CB 0.205 29.890 29.700 -0.025 0.000 0.746 243 E HN 0.292 nan 8.360 nan 0.000 0.452 244 N N 0.233 118.906 118.700 -0.046 0.000 2.456 244 N HA 0.163 4.903 4.740 -0.000 0.000 0.296 244 N C -0.844 174.637 175.510 -0.048 0.000 1.102 244 N CA -0.342 52.673 53.050 -0.058 0.000 0.924 244 N CB 2.086 40.550 38.487 -0.038 0.000 1.186 244 N HN -0.169 nan 8.380 nan 0.000 0.492 245 V N 2.167 122.046 119.914 -0.060 0.000 2.637 245 V HA 0.173 4.293 4.120 -0.000 0.000 0.296 245 V C 0.512 176.593 176.094 -0.021 0.000 1.046 245 V CA -0.246 62.029 62.300 -0.042 0.000 1.066 245 V CB 0.267 32.069 31.823 -0.037 0.000 0.968 245 V HN 0.374 nan 8.190 nan 0.000 0.483 246 L N 5.468 126.671 121.223 -0.034 0.000 2.296 246 L HA 0.590 4.930 4.340 -0.000 0.000 0.286 246 L C -0.663 176.186 176.870 -0.035 0.000 1.023 246 L CA -0.537 54.298 54.840 -0.010 0.000 0.812 246 L CB 1.862 43.925 42.059 0.007 0.000 1.223 246 L HN 0.379 nan 8.230 nan 0.000 0.421 247 V N 2.886 122.827 119.914 0.045 0.000 2.407 247 V HA 0.351 4.471 4.120 -0.000 0.000 0.291 247 V C -0.261 175.924 176.094 0.152 0.000 1.018 247 V CA -0.635 61.696 62.300 0.052 0.000 0.842 247 V CB 1.762 33.618 31.823 0.054 0.000 0.996 247 V HN 0.726 nan 8.190 nan 0.000 0.426 248 E N 3.028 123.313 120.200 0.142 0.000 2.191 248 E HA 0.644 4.994 4.350 -0.000 0.000 0.274 248 E C -0.210 176.462 176.600 0.120 0.000 0.948 248 E CA -0.467 56.037 56.400 0.173 0.000 0.802 248 E CB 1.825 31.660 29.700 0.226 0.000 1.137 248 E HN 0.830 nan 8.360 nan 0.000 0.397 249 T N 1.050 115.669 114.554 0.107 0.000 2.936 249 T HA 0.191 4.541 4.350 -0.000 0.000 0.282 249 T C 0.975 175.634 174.700 -0.067 0.000 1.003 249 T CA -0.838 61.283 62.100 0.036 0.000 1.005 249 T CB 1.089 70.001 68.868 0.073 0.000 1.097 249 T HN 0.446 nan 8.240 nan 0.000 0.532 250 L N 1.323 122.484 121.223 -0.102 0.000 2.083 250 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 250 L C 1.947 178.561 176.870 -0.426 0.000 1.083 250 L CA 1.788 56.508 54.840 -0.200 0.000 0.752 250 L CB -0.960 41.044 42.059 -0.092 0.000 0.899 250 L HN 0.892 nan 8.230 nan 0.000 0.433 251 N N -1.215 117.337 118.700 -0.245 0.000 2.413 251 N HA -0.139 4.601 4.740 -0.000 0.000 0.207 251 N C -0.327 175.146 175.510 -0.060 0.000 1.206 251 N CA 0.290 53.242 53.050 -0.163 0.000 0.832 251 N CB -0.798 37.686 38.487 -0.004 0.000 1.037 251 N HN 0.581 nan 8.380 nan 0.000 0.467 252 H N -1.441 117.643 119.070 0.023 0.000 2.886 252 H HA -0.125 4.431 4.556 -0.000 0.000 0.294 252 H C -0.944 174.384 175.328 0.000 0.000 1.246 252 H CA 0.759 56.811 56.048 0.007 0.000 1.142 252 H CB -2.165 27.592 29.762 -0.009 0.000 1.358 252 H HN 0.577 nan 8.280 nan 0.000 0.406 253 E N 0.230 120.474 120.200 0.074 0.000 2.214 253 E HA 0.521 4.871 4.350 -0.000 0.000 0.274 253 E C 0.067 176.652 176.600 -0.024 0.000 0.977 253 E CA -0.980 55.418 56.400 -0.003 0.000 0.827 253 E CB 1.578 31.300 29.700 0.037 0.000 1.130 253 E HN 0.049 nan 8.360 nan 0.000 0.394 254 M N 2.807 122.293 119.600 -0.189 0.000 2.243 254 M HA 0.348 4.828 4.480 -0.000 0.000 0.324 254 M C -2.011 174.075 176.300 -0.357 0.000 1.031 254 M CA -0.430 54.798 55.300 -0.119 0.000 0.949 254 M CB 0.808 33.378 32.600 -0.050 0.000 1.615 254 M HN 0.382 nan 8.290 nan 0.000 0.430 255 Y N 1.705 122.013 120.300 0.013 0.000 2.429 255 Y HA 0.612 5.162 4.550 -0.000 0.000 0.342 255 Y C -0.348 175.552 175.900 -0.000 0.000 1.004 255 Y CA -0.656 57.447 58.100 0.005 0.000 1.075 255 Y CB 1.682 40.143 38.460 0.001 0.000 1.214 255 Y HN 0.591 nan 8.280 nan 0.000 0.455 256 E N 1.739 122.011 120.200 0.120 0.000 2.224 256 E HA 0.818 5.168 4.350 -0.000 0.000 0.265 256 E C -1.568 175.067 176.600 0.059 0.000 0.878 256 E CA -0.665 55.770 56.400 0.060 0.000 0.759 256 E CB 1.248 30.960 29.700 0.020 0.000 1.164 256 E HN 0.777 nan 8.360 nan 0.000 0.414 257 A N 3.639 126.478 122.820 0.031 0.000 2.594 257 A HA 0.387 4.707 4.320 -0.000 0.000 0.291 257 A C -0.065 177.489 177.584 -0.050 0.000 1.105 257 A CA -0.644 51.404 52.037 0.018 0.000 0.694 257 A CB 1.510 20.539 19.000 0.049 0.000 1.291 257 A HN 0.682 nan 8.150 nan 0.000 0.410 258 K N -0.813 119.539 120.400 -0.080 0.000 2.116 258 K HA 0.110 4.430 4.320 -0.000 0.000 0.203 258 K C -0.686 175.570 176.600 -0.573 0.000 1.052 258 K CA 1.449 57.551 56.287 -0.309 0.000 0.952 258 K CB -0.054 32.294 32.500 -0.253 0.000 0.729 258 K HN 0.601 nan 8.250 nan 0.000 0.446 259 Y N -1.181 119.139 120.300 0.034 0.000 2.615 259 Y HA 0.409 4.959 4.550 -0.000 0.000 0.341 259 Y C -0.674 175.250 175.900 0.040 0.000 1.089 259 Y CA -1.322 56.814 58.100 0.060 0.000 1.049 259 Y CB 1.891 40.380 38.460 0.047 0.000 1.296 259 Y HN -0.424 nan 8.280 nan 0.000 0.470 260 V N 3.079 123.131 119.914 0.231 0.000 2.735 260 V HA 0.483 4.603 4.120 -0.000 0.000 0.310 260 V C -0.698 175.442 176.094 0.077 0.000 1.061 260 V CA -0.856 61.505 62.300 0.103 0.000 0.913 260 V CB 2.157 34.007 31.823 0.045 0.000 1.005 260 V HN 0.546 nan 8.190 nan 0.000 0.428 261 I N 2.783 123.367 120.570 0.024 0.000 2.362 261 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 261 I C 0.270 176.372 176.117 -0.026 0.000 0.994 261 I CA -0.164 61.129 61.300 -0.011 0.000 1.158 261 I CB 1.911 39.913 38.000 0.004 0.000 1.315 261 I HN 0.600 nan 8.210 nan 0.000 0.451 262 S N 5.396 121.047 115.700 -0.081 0.000 2.400 262 S HA 0.505 4.975 4.470 -0.000 0.000 0.295 262 S C 0.472 175.148 174.600 0.127 0.000 1.113 262 S CA -0.454 57.771 58.200 0.041 0.000 1.064 262 S CB 0.501 63.761 63.200 0.101 0.000 0.990 262 S HN 0.714 nan 8.310 nan 0.000 0.502 263 A N 5.877 128.762 122.820 0.109 0.000 2.827 263 A HA 0.448 4.768 4.320 -0.000 0.000 0.300 263 A C 0.356 178.017 177.584 0.129 0.000 1.237 263 A CA -0.671 51.436 52.037 0.118 0.000 0.964 263 A CB -0.503 18.541 19.000 0.075 0.000 1.143 263 A HN 0.903 nan 8.150 nan 0.000 0.554 264 I N -3.884 116.780 120.570 0.157 0.000 2.750 264 I HA 0.665 4.835 4.170 -0.000 0.000 0.308 264 I C -2.902 173.312 176.117 0.161 0.000 1.016 264 I CA -3.064 58.326 61.300 0.151 0.000 1.098 264 I CB 1.445 39.537 38.000 0.152 0.000 1.279 264 I HN -0.163 nan 8.210 nan 0.000 0.454 265 P HA 0.098 nan 4.420 nan 0.000 0.263 265 P C -2.160 175.196 177.300 0.093 0.000 1.175 265 P CA -0.520 62.649 63.100 0.115 0.000 0.761 265 P CB -0.031 31.723 31.700 0.091 0.000 0.794 266 P HA -0.242 nan 4.420 nan 0.000 0.215 266 P C 1.633 178.918 177.300 -0.024 0.000 1.163 266 P CA 1.945 65.052 63.100 0.013 0.000 0.894 266 P CB -0.290 31.384 31.700 -0.042 0.000 0.791 267 T N -1.301 113.210 114.554 -0.071 0.000 2.881 267 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 267 T C 1.515 176.205 174.700 -0.017 0.000 1.068 267 T CA 0.783 62.830 62.100 -0.087 0.000 1.131 267 T CB -0.837 67.945 68.868 -0.143 0.000 0.871 267 T HN -0.041 nan 8.240 nan 0.000 0.479 268 L N 0.390 121.632 121.223 0.031 0.000 2.549 268 L HA 0.117 4.457 4.340 -0.000 0.000 0.229 268 L C 2.793 179.736 176.870 0.122 0.000 1.158 268 L CA 0.723 55.609 54.840 0.077 0.000 0.842 268 L CB -0.776 41.352 42.059 0.115 0.000 0.952 268 L HN 0.352 nan 8.230 nan 0.000 0.452 269 G N -0.134 108.749 108.800 0.139 0.000 2.470 269 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 269 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 269 G C 1.610 176.654 174.900 0.240 0.000 1.121 269 G CA 0.213 45.458 45.100 0.241 0.000 0.766 269 G HN 0.144 nan 8.290 nan 0.000 0.553 270 M N 0.490 120.155 119.600 0.108 0.000 2.279 270 M HA -0.013 4.467 4.480 -0.000 0.000 0.264 270 M C 2.103 178.419 176.300 0.027 0.000 1.062 270 M CA 1.033 56.365 55.300 0.053 0.000 1.099 270 M CB -0.533 32.059 32.600 -0.013 0.000 1.394 270 M HN 0.246 nan 8.290 nan 0.000 0.426 271 K N 0.017 120.454 120.400 0.062 0.000 2.555 271 K HA 0.135 4.455 4.320 -0.000 0.000 0.193 271 K C 0.374 177.024 176.600 0.083 0.000 1.032 271 K CA 0.439 56.770 56.287 0.073 0.000 1.004 271 K CB 0.100 32.673 32.500 0.121 0.000 0.804 271 K HN 0.327 nan 8.250 nan 0.000 0.496 272 I N 1.313 121.896 120.570 0.022 0.000 2.404 272 I HA 0.122 4.292 4.170 -0.000 0.000 0.293 272 I C 0.116 176.090 176.117 -0.237 0.000 0.992 272 I CA -0.741 60.478 61.300 -0.136 0.000 1.149 272 I CB 1.303 39.056 38.000 -0.411 0.000 1.315 272 I HN 0.045 nan 8.210 nan 0.000 0.446 273 H N 6.175 125.148 119.070 -0.160 0.000 2.562 273 H HA 0.324 4.880 4.556 -0.000 0.000 0.314 273 H C -1.073 174.185 175.328 -0.116 0.000 1.079 273 H CA -0.205 55.849 56.048 0.010 0.000 1.349 273 H CB 1.055 30.899 29.762 0.138 0.000 1.432 273 H HN 0.325 nan 8.280 nan 0.000 0.479 274 F N 2.034 122.094 119.950 0.183 0.000 2.443 274 F HA 0.159 4.686 4.527 -0.000 0.000 0.335 274 F C 0.642 176.497 175.800 0.092 0.000 1.104 274 F CA -0.692 57.351 58.000 0.071 0.000 1.013 274 F CB 1.272 40.295 39.000 0.038 0.000 1.136 274 F HN 0.475 nan 8.300 nan 0.000 0.470 275 N N 4.508 123.303 118.700 0.158 0.000 2.461 275 N HA 0.422 5.162 4.740 -0.000 0.000 0.284 275 N C -3.006 172.554 175.510 0.083 0.000 1.049 275 N CA -2.386 50.749 53.050 0.141 0.000 0.889 275 N CB 2.097 40.696 38.487 0.186 0.000 1.365 275 N HN 0.069 nan 8.380 nan 0.000 0.499 276 P HA 0.298 nan 4.420 nan 0.000 0.274 276 P C -2.629 174.748 177.300 0.129 0.000 1.260 276 P CA -0.963 62.196 63.100 0.099 0.000 0.793 276 P CB -0.384 31.353 31.700 0.062 0.000 1.048 277 P HA 0.072 nan 4.420 nan 0.000 0.268 277 P C 0.089 177.403 177.300 0.023 0.000 1.208 277 P CA 0.263 63.424 63.100 0.102 0.000 0.777 277 P CB 0.170 31.910 31.700 0.067 0.000 0.875 278 L N 3.327 124.511 121.223 -0.065 0.000 2.483 278 L HA 0.123 4.463 4.340 -0.000 0.000 0.275 278 L C -1.636 175.176 176.870 -0.096 0.000 1.220 278 L CA -1.514 53.217 54.840 -0.182 0.000 0.833 278 L CB -0.677 41.177 42.059 -0.342 0.000 1.102 278 L HN 0.312 nan 8.230 nan 0.000 0.490 279 P HA -0.056 nan 4.420 nan 0.000 0.268 279 P C 0.629 177.894 177.300 -0.058 0.000 1.208 279 P CA -0.207 62.857 63.100 -0.060 0.000 0.777 279 P CB 0.460 32.124 31.700 -0.060 0.000 0.875 280 M N 1.832 121.412 119.600 -0.034 0.000 2.089 280 M HA -0.222 4.258 4.480 -0.000 0.000 0.257 280 M C 1.239 177.544 176.300 0.009 0.000 1.071 280 M CA 2.283 57.574 55.300 -0.015 0.000 1.096 280 M CB -0.371 32.224 32.600 -0.008 0.000 1.330 280 M HN 0.179 nan 8.290 nan 0.000 0.403 281 M N -0.329 119.274 119.600 0.005 0.000 2.086 281 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 281 M C 2.304 178.648 176.300 0.073 0.000 1.067 281 M CA 1.831 57.177 55.300 0.076 0.000 1.116 281 M CB -1.502 31.086 32.600 -0.021 0.000 1.348 281 M HN 0.426 nan 8.290 nan 0.000 0.407 282 R N 0.342 120.808 120.500 -0.056 0.000 2.075 282 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 282 R C 2.031 178.236 176.300 -0.159 0.000 1.126 282 R CA 1.783 57.796 56.100 -0.145 0.000 0.963 282 R CB -0.249 29.914 30.300 -0.228 0.000 0.858 282 R HN 0.334 nan 8.270 nan 0.000 0.435 283 N N 0.460 119.082 118.700 -0.130 0.000 2.060 283 N HA -0.244 4.496 4.740 -0.000 0.000 0.195 283 N C 1.628 177.064 175.510 -0.124 0.000 1.028 283 N CA 2.079 55.060 53.050 -0.115 0.000 0.861 283 N CB -0.023 38.421 38.487 -0.071 0.000 1.029 283 N HN 0.365 nan 8.380 nan 0.000 0.428 284 Q N -1.149 118.583 119.800 -0.114 0.000 2.137 284 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 284 Q C 1.991 177.720 176.000 -0.452 0.000 0.960 284 Q CA 0.707 56.383 55.803 -0.212 0.000 0.847 284 Q CB -0.135 28.545 28.738 -0.098 0.000 0.915 284 Q HN 0.505 nan 8.270 nan 0.000 0.448 285 M N 1.666 120.990 119.600 -0.461 0.000 2.108 285 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 285 M C 1.985 178.045 176.300 -0.400 0.000 1.066 285 M CA 1.640 56.615 55.300 -0.540 0.000 1.107 285 M CB -0.488 31.976 32.600 -0.228 0.000 1.356 285 M HN 0.299 nan 8.290 nan 0.000 0.406 286 I N -1.468 118.931 120.570 -0.284 0.000 3.334 286 I HA -0.063 4.107 4.170 -0.000 0.000 0.282 286 I C 1.392 177.376 176.117 -0.222 0.000 1.313 286 I CA 1.332 62.497 61.300 -0.225 0.000 1.396 286 I CB -0.979 36.934 38.000 -0.144 0.000 1.054 286 I HN 0.316 nan 8.210 nan 0.000 0.495 287 T N -2.665 111.733 114.554 -0.260 0.000 3.069 287 T HA 0.296 4.646 4.350 -0.000 0.000 0.252 287 T C 1.464 175.991 174.700 -0.289 0.000 1.053 287 T CA -0.242 61.718 62.100 -0.233 0.000 0.964 287 T CB -0.017 68.738 68.868 -0.189 0.000 1.005 287 T HN 0.407 nan 8.240 nan 0.000 0.532 288 R N 0.958 121.226 120.500 -0.386 0.000 2.508 288 R HA 0.326 4.666 4.340 -0.000 0.000 0.300 288 R C -0.112 175.867 176.300 -0.535 0.000 0.970 288 R CA 0.013 55.857 56.100 -0.426 0.000 1.102 288 R CB 1.334 31.327 30.300 -0.511 0.000 1.246 288 R HN 0.429 nan 8.270 nan 0.000 0.539 289 V N -0.791 118.785 119.914 -0.564 0.000 2.383 289 V HA 0.467 4.587 4.120 -0.000 0.000 0.261 289 V C -2.701 173.025 176.094 -0.614 0.000 0.987 289 V CA -2.325 59.522 62.300 -0.756 0.000 0.853 289 V CB 0.712 32.048 31.823 -0.810 0.000 1.095 289 V HN -0.111 nan 8.190 nan 0.000 0.461 290 P HA 0.505 nan 4.420 nan 0.000 0.276 290 P C -0.640 176.333 177.300 -0.546 0.000 1.252 290 P CA -0.323 62.437 63.100 -0.567 0.000 0.802 290 P CB 1.817 33.160 31.700 -0.595 0.000 1.035 291 L N 0.202 121.289 121.223 -0.226 0.000 2.352 291 L HA 0.592 4.932 4.340 -0.000 0.000 0.269 291 L C 1.457 178.391 176.870 0.107 0.000 1.034 291 L CA -0.184 54.627 54.840 -0.049 0.000 0.806 291 L CB 0.572 42.631 42.059 0.000 0.000 1.244 291 L HN 0.474 nan 8.230 nan 0.000 0.447 292 G N -0.179 108.709 108.800 0.148 0.000 2.611 292 G HA2 0.437 4.397 3.960 -0.000 0.000 0.273 292 G HA3 0.437 4.397 3.960 -0.000 0.000 0.273 292 G C -0.814 174.091 174.900 0.009 0.000 1.305 292 G CA -0.354 44.797 45.100 0.084 0.000 1.010 292 G HN 0.489 nan 8.290 nan 0.000 0.509 293 S N -1.426 114.248 115.700 -0.045 0.000 2.561 293 S HA 0.587 5.057 4.470 -0.000 0.000 0.303 293 S C -1.091 173.491 174.600 -0.029 0.000 1.110 293 S CA -0.486 57.714 58.200 -0.001 0.000 1.034 293 S CB 1.685 64.898 63.200 0.022 0.000 1.010 293 S HN 0.805 nan 8.310 nan 0.000 0.482 294 V N 4.815 124.762 119.914 0.054 0.000 3.000 294 V HA 0.570 4.690 4.120 -0.000 0.000 0.300 294 V C -1.937 174.311 176.094 0.257 0.000 1.251 294 V CA -0.736 61.628 62.300 0.107 0.000 0.972 294 V CB 1.804 33.622 31.823 -0.009 0.000 1.065 294 V HN 0.877 nan 8.190 nan 0.000 0.431 295 I N 5.364 126.095 120.570 0.269 0.000 2.362 295 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 295 I C -0.191 176.166 176.117 0.401 0.000 0.994 295 I CA -0.577 60.901 61.300 0.297 0.000 1.158 295 I CB 1.670 39.787 38.000 0.195 0.000 1.315 295 I HN 0.513 nan 8.210 nan 0.000 0.451 296 K N 6.049 126.726 120.400 0.462 0.000 2.211 296 K HA 0.582 4.902 4.320 -0.000 0.000 0.275 296 K C -1.424 175.309 176.600 0.222 0.000 1.024 296 K CA -0.313 56.233 56.287 0.432 0.000 0.887 296 K CB 0.931 33.758 32.500 0.545 0.000 1.084 296 K HN 0.700 nan 8.250 nan 0.000 0.463 297 C N 5.165 124.555 119.300 0.149 0.000 2.498 297 C HA 0.592 5.052 4.460 -0.000 0.000 0.316 297 C C -0.854 174.190 174.990 0.091 0.000 1.209 297 C CA -1.077 58.019 59.018 0.129 0.000 1.518 297 C CB 0.144 28.067 27.740 0.304 0.000 2.147 297 C HN 0.740 nan 8.230 nan 0.000 0.483 298 I N 2.800 123.386 120.570 0.027 0.000 2.439 298 I HA 0.420 4.590 4.170 -0.000 0.000 0.285 298 I C -0.329 175.790 176.117 0.004 0.000 1.021 298 I CA -0.141 61.123 61.300 -0.060 0.000 1.091 298 I CB 1.477 39.386 38.000 -0.151 0.000 1.242 298 I HN 0.356 nan 8.210 nan 0.000 0.439 299 V N 6.641 126.552 119.914 -0.004 0.000 2.394 299 V HA 0.387 4.507 4.120 -0.000 0.000 0.282 299 V C -0.631 175.278 176.094 -0.308 0.000 1.031 299 V CA -0.686 61.624 62.300 0.017 0.000 0.881 299 V CB 0.846 32.729 31.823 0.100 0.000 0.982 299 V HN 0.410 nan 8.190 nan 0.000 0.451 300 Y N 4.093 124.336 120.300 -0.095 0.000 2.361 300 Y HA 0.661 5.211 4.550 -0.000 0.000 0.332 300 Y C -0.259 175.503 175.900 -0.230 0.000 1.101 300 Y CA -0.368 57.725 58.100 -0.013 0.000 1.137 300 Y CB 1.358 39.914 38.460 0.159 0.000 1.207 300 Y HN 0.531 nan 8.280 nan 0.000 0.463 301 Y N 0.003 120.555 120.300 0.419 0.000 2.605 301 Y HA 0.277 4.827 4.550 -0.000 0.000 0.343 301 Y C 1.117 177.163 175.900 0.244 0.000 1.036 301 Y CA -1.403 56.913 58.100 0.360 0.000 1.065 301 Y CB 1.941 40.712 38.460 0.519 0.000 1.288 301 Y HN 0.512 nan 8.280 nan 0.000 0.481 302 K N 0.484 121.098 120.400 0.358 0.000 2.063 302 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 302 K C -0.536 176.137 176.600 0.122 0.000 1.048 302 K CA 1.719 58.112 56.287 0.177 0.000 0.928 302 K CB 0.184 32.760 32.500 0.127 0.000 0.713 302 K HN 0.731 nan 8.250 nan 0.000 0.442 303 E N -0.577 119.712 120.200 0.149 0.000 2.393 303 E HA 0.214 4.564 4.350 -0.000 0.000 0.273 303 E C -2.642 173.837 176.600 -0.202 0.000 0.918 303 E CA -2.364 54.031 56.400 -0.010 0.000 0.773 303 E CB 2.146 31.828 29.700 -0.030 0.000 1.275 303 E HN -0.007 nan 8.360 nan 0.000 0.451 304 P HA 0.035 nan 4.420 nan 0.000 0.230 304 P C 0.283 176.662 177.300 -1.534 0.000 1.791 304 P CA -0.050 62.140 63.100 -1.518 0.000 1.020 304 P CB -0.896 30.206 31.700 -0.997 0.000 1.977 305 F N 0.223 119.624 119.950 -0.916 0.000 2.250 305 F HA -0.127 4.400 4.527 -0.000 0.000 0.301 305 F C 1.798 177.424 175.800 -0.291 0.000 1.077 305 F CA 0.066 57.811 58.000 -0.426 0.000 1.348 305 F CB -1.821 37.059 39.000 -0.200 0.000 1.040 305 F HN 0.136 nan 8.300 nan 0.000 0.509 306 W N 1.348 122.303 121.300 -0.575 0.000 2.350 306 W HA -0.007 4.653 4.660 -0.000 0.000 0.289 306 W C 2.051 178.510 176.519 -0.100 0.000 1.215 306 W CA 0.966 58.171 57.345 -0.233 0.000 1.236 306 W CB -1.151 28.106 29.460 -0.339 0.000 1.130 306 W HN -0.122 nan 8.180 nan 0.000 0.541 307 R N 1.138 121.401 120.500 -0.394 0.000 2.120 307 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 307 R C 2.008 178.214 176.300 -0.155 0.000 1.123 307 R CA 1.830 57.804 56.100 -0.211 0.000 0.975 307 R CB -0.426 29.687 30.300 -0.311 0.000 0.866 307 R HN 0.258 nan 8.270 nan 0.000 0.446 308 K N 0.631 120.935 120.400 -0.160 0.000 2.209 308 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 308 K C 1.361 177.887 176.600 -0.123 0.000 1.048 308 K CA 1.077 57.298 56.287 -0.109 0.000 0.940 308 K CB 0.124 32.583 32.500 -0.069 0.000 0.729 308 K HN 0.087 nan 8.250 nan 0.000 0.451 309 K N 0.717 121.016 120.400 -0.168 0.000 2.437 309 K HA -0.019 4.301 4.320 -0.000 0.000 0.198 309 K C -0.486 175.771 176.600 -0.572 0.000 1.024 309 K CA 0.159 56.232 56.287 -0.357 0.000 1.148 309 K CB 0.359 32.611 32.500 -0.414 0.000 0.860 309 K HN 0.030 nan 8.250 nan 0.000 0.515 310 D N 0.436 120.653 120.400 -0.305 0.000 2.746 310 D HA -0.214 4.426 4.640 -0.000 0.000 0.236 310 D C -1.396 174.823 176.300 -0.136 0.000 1.129 310 D CA 0.900 54.782 54.000 -0.198 0.000 0.691 310 D CB -1.474 39.231 40.800 -0.158 0.000 1.077 310 D HN 0.348 nan 8.370 nan 0.000 0.432 311 Y N -0.890 119.440 120.300 0.049 0.000 2.377 311 Y HA 0.318 4.868 4.550 -0.000 0.000 0.339 311 Y C 2.028 178.000 175.900 0.121 0.000 1.011 311 Y CA -0.966 57.164 58.100 0.050 0.000 1.093 311 Y CB 1.287 39.787 38.460 0.066 0.000 1.201 311 Y HN 0.252 nan 8.280 nan 0.000 0.455 312 C N -0.959 118.453 119.300 0.187 0.000 2.468 312 C HA 0.424 4.884 4.460 -0.000 0.000 0.277 312 C C 1.733 176.783 174.990 0.099 0.000 1.400 312 C CA 0.612 59.716 59.018 0.144 0.000 1.770 312 C CB -0.926 26.822 27.740 0.012 0.000 1.905 312 C HN 1.229 nan 8.230 nan 0.000 0.519 313 G N -0.313 108.379 108.800 -0.180 0.000 2.211 313 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.201 313 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.201 313 G C 0.022 174.583 174.900 -0.565 0.000 0.997 313 G CA 0.166 44.840 45.100 -0.709 0.000 0.652 313 G HN 0.564 nan 8.290 nan 0.000 0.500 314 T N 2.395 116.719 114.554 -0.384 0.000 2.779 314 T HA 0.614 4.964 4.350 -0.000 0.000 0.296 314 T C 0.317 174.809 174.700 -0.346 0.000 0.938 314 T CA 0.588 62.444 62.100 -0.406 0.000 1.119 314 T CB 0.800 69.490 68.868 -0.297 0.000 0.891 314 T HN 0.287 nan 8.240 nan 0.000 0.526 315 M N 4.134 123.511 119.600 -0.372 0.000 2.259 315 M HA 0.480 4.960 4.480 -0.000 0.000 0.304 315 M C -0.858 175.436 176.300 -0.010 0.000 1.019 315 M CA -0.575 54.624 55.300 -0.167 0.000 0.922 315 M CB 2.117 34.596 32.600 -0.201 0.000 1.600 315 M HN 0.414 nan 8.290 nan 0.000 0.433 316 I N 4.876 125.589 120.570 0.238 0.000 2.328 316 I HA 0.437 4.607 4.170 -0.000 0.000 0.287 316 I C -0.807 175.581 176.117 0.453 0.000 1.012 316 I CA -0.310 61.239 61.300 0.415 0.000 1.195 316 I CB 0.864 39.131 38.000 0.446 0.000 1.350 316 I HN 0.609 nan 8.210 nan 0.000 0.464 317 I N 5.320 126.112 120.570 0.371 0.000 2.420 317 I HA 0.287 4.457 4.170 -0.000 0.000 0.282 317 I C -0.360 175.942 176.117 0.308 0.000 1.019 317 I CA -0.503 60.994 61.300 0.329 0.000 1.130 317 I CB 1.246 39.372 38.000 0.210 0.000 1.262 317 I HN 0.456 nan 8.210 nan 0.000 0.454 318 D N 4.420 125.009 120.400 0.315 0.000 2.312 318 D HA 0.674 5.314 4.640 -0.000 0.000 0.248 318 D C 0.221 176.640 176.300 0.199 0.000 1.086 318 D CA 0.590 54.739 54.000 0.249 0.000 0.948 318 D CB 1.911 42.853 40.800 0.237 0.000 1.162 318 D HN 0.794 nan 8.370 nan 0.000 0.446 319 G N 1.728 110.625 108.800 0.162 0.000 2.617 319 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 319 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 319 G C 0.418 175.396 174.900 0.130 0.000 1.214 319 G CA 0.131 45.311 45.100 0.133 0.000 0.796 319 G HN 0.441 nan 8.290 nan 0.000 0.654 320 E N 0.197 120.467 120.200 0.117 0.000 2.150 320 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 320 E C 2.173 178.836 176.600 0.106 0.000 0.985 320 E CA 2.370 58.848 56.400 0.130 0.000 0.814 320 E CB -0.002 29.771 29.700 0.122 0.000 0.752 320 E HN 0.631 nan 8.360 nan 0.000 0.466 321 E N 0.509 120.762 120.200 0.089 0.000 2.150 321 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 321 E C 0.418 177.051 176.600 0.055 0.000 0.985 321 E CA 0.909 57.349 56.400 0.067 0.000 0.814 321 E CB -0.391 29.348 29.700 0.064 0.000 0.752 321 E HN 0.283 nan 8.360 nan 0.000 0.466 322 A N 2.662 125.526 122.820 0.072 0.000 2.484 322 A HA 0.157 4.477 4.320 -0.000 0.000 0.268 322 A C -1.384 176.227 177.584 0.045 0.000 1.114 322 A CA -1.114 50.958 52.037 0.058 0.000 0.780 322 A CB 0.134 19.192 19.000 0.096 0.000 1.061 322 A HN -0.004 nan 8.150 nan 0.000 0.505 323 P HA -0.056 nan 4.420 nan 0.000 0.217 323 P C 0.261 177.591 177.300 0.051 0.000 1.150 323 P CA 1.021 64.126 63.100 0.009 0.000 0.832 323 P CB 0.090 31.777 31.700 -0.023 0.000 0.787 324 V N 0.192 120.153 119.914 0.079 0.000 2.409 324 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 324 V C 1.166 177.377 176.094 0.194 0.000 1.020 324 V CA -0.126 62.271 62.300 0.161 0.000 0.848 324 V CB 1.275 33.219 31.823 0.202 0.000 0.990 324 V HN -0.017 nan 8.190 nan 0.000 0.430 325 A N 4.576 127.540 122.820 0.240 0.000 2.195 325 A HA 0.309 4.629 4.320 -0.000 0.000 0.210 325 A C 0.169 177.975 177.584 0.371 0.000 1.165 325 A CA 0.573 52.773 52.037 0.272 0.000 0.806 325 A CB 0.153 19.301 19.000 0.247 0.000 0.847 325 A HN 0.766 nan 8.150 nan 0.000 0.482 326 Y N -0.219 120.205 120.300 0.206 0.000 2.482 326 Y HA 0.463 5.013 4.550 -0.000 0.000 0.334 326 Y C -0.455 175.497 175.900 0.087 0.000 1.091 326 Y CA -0.393 57.812 58.100 0.176 0.000 1.027 326 Y CB 1.497 40.108 38.460 0.251 0.000 1.306 326 Y HN 0.123 nan 8.280 nan 0.000 0.446 327 T N 3.988 118.205 114.554 -0.561 0.000 2.906 327 T HA 0.871 5.221 4.350 -0.000 0.000 0.295 327 T C -1.555 172.702 174.700 -0.739 0.000 1.075 327 T CA -0.820 60.953 62.100 -0.546 0.000 1.005 327 T CB 1.857 70.404 68.868 -0.535 0.000 1.136 327 T HN 0.613 nan 8.240 nan 0.000 0.498 328 L N 1.019 121.936 121.223 -0.510 0.000 2.393 328 L HA 0.502 4.842 4.340 -0.000 0.000 0.260 328 L C -0.630 176.040 176.870 -0.334 0.000 1.002 328 L CA -1.269 53.333 54.840 -0.398 0.000 0.818 328 L CB 2.210 44.109 42.059 -0.266 0.000 1.369 328 L HN 0.738 nan 8.230 nan 0.000 0.412 329 D N 0.937 121.175 120.400 -0.269 0.000 2.450 329 D HA -0.050 4.590 4.640 -0.000 0.000 0.247 329 D C -0.225 176.083 176.300 0.013 0.000 1.162 329 D CA 0.623 54.544 54.000 -0.133 0.000 0.879 329 D CB 1.151 41.998 40.800 0.078 0.000 1.163 329 D HN 0.511 nan 8.370 nan 0.000 0.472 330 D N 1.851 122.267 120.400 0.027 0.000 2.462 330 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 330 D C -0.302 176.085 176.300 0.146 0.000 1.173 330 D CA -0.144 53.905 54.000 0.081 0.000 0.831 330 D CB 0.398 41.186 40.800 -0.021 0.000 1.001 330 D HN 0.230 nan 8.370 nan 0.000 0.499 331 T N 1.420 116.098 114.554 0.207 0.000 2.932 331 T HA 0.036 4.386 4.350 -0.000 0.000 0.312 331 T C 0.536 175.318 174.700 0.137 0.000 1.071 331 T CA -0.134 62.087 62.100 0.203 0.000 1.128 331 T CB 0.827 69.819 68.868 0.207 0.000 0.984 331 T HN -0.079 nan 8.240 nan 0.000 0.549 332 K N 3.436 123.878 120.400 0.070 0.000 2.276 332 K HA 0.108 4.428 4.320 -0.000 0.000 0.259 332 K C -1.440 175.050 176.600 -0.183 0.000 1.001 332 K CA -2.019 54.209 56.287 -0.098 0.000 0.927 332 K CB 0.184 32.663 32.500 -0.034 0.000 0.969 332 K HN 0.308 nan 8.250 nan 0.000 0.490 333 P HA -0.131 nan 4.420 nan 0.000 0.219 333 P C 0.338 177.568 177.300 -0.117 0.000 1.146 333 P CA 1.351 64.250 63.100 -0.335 0.000 0.808 333 P CB 0.319 31.731 31.700 -0.480 0.000 0.779 334 E N -1.108 119.042 120.200 -0.083 0.000 2.418 334 E HA 0.127 4.477 4.350 -0.000 0.000 0.197 334 E C 1.577 178.168 176.600 -0.015 0.000 1.026 334 E CA 0.989 57.374 56.400 -0.024 0.000 0.862 334 E CB -0.840 28.866 29.700 0.010 0.000 0.799 334 E HN 0.308 nan 8.360 nan 0.000 0.518 335 G N 0.647 109.440 108.800 -0.012 0.000 2.175 335 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 335 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 335 G C 0.118 175.011 174.900 -0.011 0.000 0.982 335 G CA 0.263 45.353 45.100 -0.016 0.000 0.641 335 G HN 0.375 nan 8.290 nan 0.000 0.527 336 N N -0.681 118.031 118.700 0.021 0.000 2.530 336 N HA 0.528 5.268 4.740 -0.000 0.000 0.283 336 N C 0.518 176.111 175.510 0.138 0.000 1.238 336 N CA -0.880 52.157 53.050 -0.021 0.000 0.971 336 N CB -0.019 38.373 38.487 -0.157 0.000 1.195 336 N HN 0.607 nan 8.380 nan 0.000 0.583 337 Y N -2.677 117.653 120.300 0.051 0.000 3.108 337 Y HA -0.174 4.376 4.550 -0.000 0.000 0.208 337 Y C 0.610 176.648 175.900 0.230 0.000 1.245 337 Y CA 0.302 58.483 58.100 0.135 0.000 1.171 337 Y CB -2.360 36.139 38.460 0.064 0.000 1.331 337 Y HN 0.748 nan 8.280 nan 0.000 0.534 338 A N 0.332 123.316 122.820 0.274 0.000 2.584 338 A HA 0.536 4.856 4.320 -0.000 0.000 0.239 338 A C 0.745 178.590 177.584 0.434 0.000 1.043 338 A CA 0.641 52.855 52.037 0.295 0.000 0.756 338 A CB 0.068 19.167 19.000 0.165 0.000 0.963 338 A HN 1.504 nan 8.150 nan 0.000 0.511 339 A N 2.508 125.586 122.820 0.431 0.000 2.604 339 A HA 0.633 4.953 4.320 -0.000 0.000 0.295 339 A C -1.022 176.556 177.584 -0.009 0.000 1.067 339 A CA -0.539 51.567 52.037 0.115 0.000 0.683 339 A CB 0.977 19.728 19.000 -0.416 0.000 1.281 339 A HN 0.707 nan 8.150 nan 0.000 0.407 340 I N 2.478 122.933 120.570 -0.191 0.000 2.389 340 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 340 I C -0.178 175.774 176.117 -0.275 0.000 0.999 340 I CA -0.415 60.632 61.300 -0.422 0.000 1.129 340 I CB 1.600 39.191 38.000 -0.682 0.000 1.288 340 I HN 0.749 nan 8.210 nan 0.000 0.444 341 M N 5.860 125.297 119.600 -0.272 0.000 2.188 341 M HA 0.599 5.079 4.480 -0.000 0.000 0.357 341 M C -0.305 175.837 176.300 -0.264 0.000 1.204 341 M CA -0.133 55.039 55.300 -0.213 0.000 1.095 341 M CB 1.032 33.532 32.600 -0.167 0.000 1.604 341 M HN 0.699 nan 8.290 nan 0.000 0.464 342 G N 4.477 113.181 108.800 -0.159 0.000 2.563 342 G HA2 0.702 4.662 3.960 -0.000 0.000 0.302 342 G HA3 0.702 4.662 3.960 -0.000 0.000 0.302 342 G C -1.954 172.892 174.900 -0.090 0.000 1.301 342 G CA -0.552 44.497 45.100 -0.084 0.000 0.965 342 G HN 0.659 nan 8.290 nan 0.000 0.480 343 F N 0.576 120.670 119.950 0.241 0.000 2.427 343 F HA 0.471 4.998 4.527 -0.000 0.000 0.346 343 F C 0.512 176.422 175.800 0.184 0.000 1.120 343 F CA -0.743 57.400 58.000 0.239 0.000 1.033 343 F CB 2.207 41.378 39.000 0.284 0.000 1.126 343 F HN 0.058 nan 8.300 nan 0.000 0.462 344 I N 5.396 126.175 120.570 0.348 0.000 2.301 344 I HA 0.229 4.398 4.170 -0.000 0.000 0.292 344 I C -0.627 175.580 176.117 0.151 0.000 1.046 344 I CA -0.233 61.187 61.300 0.199 0.000 1.282 344 I CB 0.619 38.704 38.000 0.141 0.000 1.409 344 I HN 0.389 nan 8.210 nan 0.000 0.484 345 L N 6.674 127.950 121.223 0.089 0.000 2.309 345 L HA 0.686 5.026 4.340 -0.000 0.000 0.282 345 L C 0.970 177.811 176.870 -0.048 0.000 1.036 345 L CA -0.144 54.709 54.840 0.021 0.000 0.806 345 L CB 1.468 43.550 42.059 0.040 0.000 1.220 345 L HN 0.904 nan 8.230 nan 0.000 0.429 346 A N 2.176 124.961 122.820 -0.057 0.000 5.295 346 A HA -0.365 3.955 4.320 -0.000 0.000 0.313 346 A C 1.687 179.267 177.584 -0.006 0.000 1.912 346 A CA 1.477 53.488 52.037 -0.043 0.000 0.714 346 A CB -1.594 17.384 19.000 -0.037 0.000 1.319 346 A HN 1.079 nan 8.150 nan 0.000 0.375 347 H N 1.112 120.179 119.070 -0.006 0.000 2.457 347 H HA -0.030 4.526 4.556 -0.000 0.000 0.297 347 H C 1.660 177.009 175.328 0.035 0.000 1.092 347 H CA 1.837 57.898 56.048 0.022 0.000 1.309 347 H CB -0.375 29.409 29.762 0.037 0.000 1.382 347 H HN 0.740 nan 8.280 nan 0.000 0.535 348 K N 0.721 120.771 120.400 -0.584 0.000 2.148 348 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 348 K C 2.572 179.110 176.600 -0.103 0.000 1.050 348 K CA 0.901 56.977 56.287 -0.352 0.000 0.942 348 K CB 0.023 32.341 32.500 -0.304 0.000 0.724 348 K HN 0.330 nan 8.250 nan 0.000 0.446 349 A N 1.533 124.322 122.820 -0.051 0.000 1.902 349 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 349 A C 2.097 179.697 177.584 0.026 0.000 1.181 349 A CA 1.347 53.396 52.037 0.019 0.000 0.623 349 A CB -0.287 18.740 19.000 0.044 0.000 0.818 349 A HN 0.116 nan 8.150 nan 0.000 0.443 350 R N -0.255 120.261 120.500 0.026 0.000 2.062 350 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 350 R C 2.325 178.649 176.300 0.039 0.000 1.136 350 R CA 1.836 57.961 56.100 0.043 0.000 0.948 350 R CB -0.335 30.004 30.300 0.065 0.000 0.845 350 R HN 0.624 nan 8.270 nan 0.000 0.430 351 K N 0.454 120.876 120.400 0.038 0.000 2.032 351 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 351 K C 1.555 178.171 176.600 0.026 0.000 1.048 351 K CA 1.452 57.763 56.287 0.041 0.000 0.927 351 K CB -0.045 32.486 32.500 0.051 0.000 0.712 351 K HN 0.149 nan 8.250 nan 0.000 0.441 352 L N 0.093 121.325 121.223 0.016 0.000 2.558 352 L HA 0.119 4.459 4.340 -0.000 0.000 0.225 352 L C 2.245 179.132 176.870 0.029 0.000 1.128 352 L CA 0.237 55.089 54.840 0.020 0.000 0.868 352 L CB -0.091 41.977 42.059 0.016 0.000 1.006 352 L HN 0.215 nan 8.230 nan 0.000 0.454 353 A N 0.662 123.501 122.820 0.032 0.000 2.019 353 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 353 A C 2.363 179.963 177.584 0.026 0.000 1.164 353 A CA 1.215 53.271 52.037 0.033 0.000 0.644 353 A CB -0.370 18.649 19.000 0.031 0.000 0.805 353 A HN 0.355 nan 8.150 nan 0.000 0.449 354 R N -0.561 119.952 120.500 0.023 0.000 2.120 354 R HA 0.018 4.358 4.340 -0.000 0.000 0.234 354 R C 0.349 176.659 176.300 0.018 0.000 1.123 354 R CA 0.410 56.521 56.100 0.019 0.000 0.975 354 R CB -0.550 29.761 30.300 0.019 0.000 0.866 354 R HN 0.454 nan 8.270 nan 0.000 0.446 355 L N 0.864 122.098 121.223 0.020 0.000 2.474 355 L HA 0.049 4.389 4.340 -0.000 0.000 0.259 355 L C 1.064 177.947 176.870 0.023 0.000 1.232 355 L CA -0.249 54.602 54.840 0.017 0.000 0.821 355 L CB 0.168 42.236 42.059 0.014 0.000 1.108 355 L HN 0.185 nan 8.230 nan 0.000 0.495 356 T N -2.625 111.940 114.554 0.020 0.000 2.849 356 T HA 0.120 4.470 4.350 -0.000 0.000 0.284 356 T C 0.882 175.609 174.700 0.046 0.000 1.004 356 T CA -0.699 61.417 62.100 0.027 0.000 1.021 356 T CB 1.335 70.215 68.868 0.019 0.000 1.013 356 T HN 0.676 nan 8.240 nan 0.000 0.527 357 K N 0.414 120.857 120.400 0.071 0.000 2.074 357 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 357 K C 1.905 178.565 176.600 0.100 0.000 1.048 357 K CA 2.002 58.375 56.287 0.145 0.000 0.926 357 K CB -0.200 32.390 32.500 0.149 0.000 0.713 357 K HN 0.696 nan 8.250 nan 0.000 0.444 358 E N 0.693 120.915 120.200 0.038 0.000 2.072 358 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 358 E C 1.818 178.380 176.600 -0.063 0.000 0.985 358 E CA 1.431 57.819 56.400 -0.021 0.000 0.801 358 E CB 0.006 29.703 29.700 -0.005 0.000 0.750 358 E HN 0.406 nan 8.360 nan 0.000 0.452 359 E N 0.210 120.390 120.200 -0.034 0.000 2.077 359 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 359 E C 2.136 178.694 176.600 -0.070 0.000 0.989 359 E CA 0.761 57.136 56.400 -0.043 0.000 0.800 359 E CB -0.016 29.674 29.700 -0.017 0.000 0.746 359 E HN 0.118 nan 8.360 nan 0.000 0.452 360 R N 0.237 120.703 120.500 -0.056 0.000 2.075 360 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 360 R C 2.467 178.626 176.300 -0.234 0.000 1.126 360 R CA 0.793 56.850 56.100 -0.071 0.000 0.963 360 R CB -0.351 29.979 30.300 0.049 0.000 0.858 360 R HN 0.126 nan 8.270 nan 0.000 0.435 361 L N 1.842 122.809 121.223 -0.427 0.000 2.012 361 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 361 L C 2.207 178.860 176.870 -0.361 0.000 1.073 361 L CA 1.920 56.342 54.840 -0.697 0.000 0.748 361 L CB -0.497 41.105 42.059 -0.761 0.000 0.891 361 L HN 0.010 nan 8.230 nan 0.000 0.431 362 K N -0.500 119.766 120.400 -0.224 0.000 2.032 362 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 362 K C 2.187 178.700 176.600 -0.145 0.000 1.048 362 K CA 1.832 58.034 56.287 -0.142 0.000 0.927 362 K CB -0.115 32.330 32.500 -0.091 0.000 0.712 362 K HN 0.342 nan 8.250 nan 0.000 0.441 363 K N 0.176 120.488 120.400 -0.148 0.000 2.057 363 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 363 K C 2.124 178.587 176.600 -0.229 0.000 1.049 363 K CA 1.258 57.460 56.287 -0.142 0.000 0.931 363 K CB -0.128 32.309 32.500 -0.104 0.000 0.714 363 K HN 0.054 nan 8.250 nan 0.000 0.440 364 L N 0.825 121.857 121.223 -0.319 0.000 2.027 364 L HA -0.206 4.134 4.340 -0.000 0.000 0.206 364 L C 2.470 178.914 176.870 -0.709 0.000 1.074 364 L CA 1.528 56.008 54.840 -0.599 0.000 0.745 364 L CB -0.717 41.026 42.059 -0.526 0.000 0.898 364 L HN 0.241 nan 8.230 nan 0.000 0.433 365 C N -0.681 118.427 119.300 -0.320 0.000 2.429 365 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 365 C C 2.643 177.610 174.990 -0.039 0.000 1.262 365 C CA 0.609 59.592 59.018 -0.058 0.000 1.733 365 C CB -0.808 26.949 27.740 0.027 0.000 2.010 365 C HN 0.552 nan 8.230 nan 0.000 0.483 366 E N 0.354 120.500 120.200 -0.090 0.000 2.077 366 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 366 E C 2.005 178.566 176.600 -0.064 0.000 0.989 366 E CA 1.046 57.413 56.400 -0.054 0.000 0.800 366 E CB -0.305 29.362 29.700 -0.054 0.000 0.746 366 E HN 0.525 nan 8.360 nan 0.000 0.452 367 L N 0.365 121.500 121.223 -0.147 0.000 2.017 367 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 367 L C 2.018 178.879 176.870 -0.014 0.000 1.073 367 L CA 1.747 56.508 54.840 -0.132 0.000 0.745 367 L CB -0.547 41.387 42.059 -0.207 0.000 0.894 367 L HN 0.200 nan 8.230 nan 0.000 0.432 368 Y N -0.894 119.389 120.300 -0.029 0.000 2.242 368 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 368 Y C 2.529 178.437 175.900 0.013 0.000 1.137 368 Y CA 0.236 58.322 58.100 -0.023 0.000 1.181 368 Y CB -0.470 38.015 38.460 0.041 0.000 0.989 368 Y HN 0.375 nan 8.280 nan 0.000 0.527 369 A N 0.817 123.746 122.820 0.182 0.000 1.908 369 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 369 A C 2.091 179.721 177.584 0.078 0.000 1.181 369 A CA 1.908 54.015 52.037 0.117 0.000 0.627 369 A CB -0.509 18.531 19.000 0.066 0.000 0.818 369 A HN 0.379 nan 8.150 nan 0.000 0.445 370 K N -0.633 119.789 120.400 0.036 0.000 2.002 370 K HA -0.077 4.243 4.320 -0.000 0.000 0.209 370 K C 1.915 178.507 176.600 -0.013 0.000 1.048 370 K CA 1.572 57.867 56.287 0.014 0.000 0.930 370 K CB -0.402 32.087 32.500 -0.019 0.000 0.714 370 K HN 0.297 nan 8.250 nan 0.000 0.438 371 V N 1.672 121.516 119.914 -0.117 0.000 2.358 371 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 371 V C 2.070 178.105 176.094 -0.098 0.000 1.047 371 V CA 1.530 63.712 62.300 -0.197 0.000 1.035 371 V CB -0.376 31.281 31.823 -0.276 0.000 0.658 371 V HN 0.273 nan 8.190 nan 0.000 0.452 372 L N 0.457 121.661 121.223 -0.031 0.000 2.492 372 L HA 0.249 4.589 4.340 -0.000 0.000 0.223 372 L C 1.650 178.653 176.870 0.222 0.000 1.132 372 L CA 0.766 55.633 54.840 0.045 0.000 0.850 372 L CB -0.763 41.413 42.059 0.195 0.000 0.966 372 L HN 0.554 nan 8.230 nan 0.000 0.454 373 G N 0.765 109.655 108.800 0.150 0.000 2.323 373 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.292 373 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.292 373 G C -0.065 174.926 174.900 0.153 0.000 1.040 373 G CA 0.456 45.646 45.100 0.149 0.000 0.942 373 G HN 0.336 nan 8.290 nan 0.000 0.506 374 S N -0.823 114.959 115.700 0.137 0.000 2.677 374 S HA 0.449 4.919 4.470 -0.000 0.000 0.283 374 S C 1.165 175.738 174.600 -0.045 0.000 1.159 374 S CA -0.766 57.475 58.200 0.068 0.000 1.001 374 S CB 1.685 64.995 63.200 0.183 0.000 1.032 374 S HN 0.251 nan 8.310 nan 0.000 0.487 375 L N 1.990 123.163 121.223 -0.083 0.000 2.265 375 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 375 L C 2.113 178.866 176.870 -0.195 0.000 1.117 375 L CA 1.187 55.971 54.840 -0.095 0.000 0.782 375 L CB -0.378 41.642 42.059 -0.065 0.000 0.914 375 L HN 0.704 nan 8.230 nan 0.000 0.441 376 E N 0.568 120.515 120.200 -0.423 0.000 2.265 376 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 376 E C 2.234 178.415 176.600 -0.699 0.000 0.996 376 E CA 0.964 56.940 56.400 -0.708 0.000 0.832 376 E CB -0.146 28.797 29.700 -1.262 0.000 0.756 376 E HN 0.518 nan 8.360 nan 0.000 0.491 377 A N 0.926 123.446 122.820 -0.501 0.000 2.121 377 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 377 A C 1.952 179.713 177.584 0.295 0.000 1.154 377 A CA 0.714 52.771 52.037 0.034 0.000 0.679 377 A CB -0.313 18.850 19.000 0.273 0.000 0.795 377 A HN 0.164 nan 8.150 nan 0.000 0.458 378 L N -0.441 120.852 121.223 0.118 0.000 2.591 378 L HA 0.079 4.419 4.340 -0.000 0.000 0.228 378 L C 0.224 177.175 176.870 0.134 0.000 1.133 378 L CA 0.173 55.080 54.840 0.112 0.000 0.880 378 L CB 0.014 42.095 42.059 0.036 0.000 1.033 378 L HN 0.218 nan 8.230 nan 0.000 0.450 379 E N 1.133 121.462 120.200 0.214 0.000 3.312 379 E HA 0.264 4.614 4.350 -0.000 0.000 0.215 379 E C -2.277 174.491 176.600 0.281 0.000 1.160 379 E CA -1.670 54.843 56.400 0.188 0.000 1.267 379 E CB 0.344 30.111 29.700 0.112 0.000 1.361 379 E HN 0.145 nan 8.360 nan 0.000 0.433 380 P HA 0.015 nan 4.420 nan 0.000 0.271 380 P C 1.106 178.438 177.300 0.054 0.000 1.218 380 P CA -0.116 62.953 63.100 -0.052 0.000 0.780 380 P CB 1.494 33.115 31.700 -0.132 0.000 0.901 381 V N -1.660 118.304 119.914 0.084 0.000 3.565 381 V HA 0.298 4.418 4.120 -0.000 0.000 0.260 381 V C 0.497 176.720 176.094 0.216 0.000 1.231 381 V CA 0.821 63.207 62.300 0.143 0.000 1.100 381 V CB -1.189 30.724 31.823 0.150 0.000 0.807 381 V HN 0.685 nan 8.190 nan 0.000 0.454 382 H N -1.176 117.965 119.070 0.119 0.000 2.987 382 H HA 0.614 5.170 4.556 -0.000 0.000 0.316 382 H C -2.296 173.245 175.328 0.356 0.000 1.380 382 H CA -0.711 55.426 56.048 0.150 0.000 1.160 382 H CB 1.917 31.666 29.762 -0.023 0.000 1.865 382 H HN 0.152 nan 8.280 nan 0.000 0.521 383 Y N 1.675 121.699 120.300 -0.460 0.000 2.479 383 Y HA 0.508 5.058 4.550 -0.000 0.000 0.338 383 Y C -1.709 174.066 175.900 -0.207 0.000 1.055 383 Y CA -0.664 57.350 58.100 -0.143 0.000 1.023 383 Y CB 1.738 40.130 38.460 -0.113 0.000 1.287 383 Y HN 0.623 nan 8.280 nan 0.000 0.447 384 E N 4.535 124.491 120.200 -0.406 0.000 2.293 384 E HA 0.406 4.756 4.350 -0.000 0.000 0.270 384 E C -1.462 174.782 176.600 -0.594 0.000 0.879 384 E CA -0.765 55.402 56.400 -0.388 0.000 0.756 384 E CB 2.673 32.388 29.700 0.025 0.000 1.208 384 E HN 0.782 nan 8.360 nan 0.000 0.428 385 E N 0.488 120.428 120.200 -0.433 0.000 2.413 385 E HA 0.700 5.050 4.350 -0.000 0.000 0.277 385 E C -1.141 175.409 176.600 -0.082 0.000 0.958 385 E CA -1.125 55.127 56.400 -0.246 0.000 0.779 385 E CB 2.278 31.813 29.700 -0.275 0.000 1.278 385 E HN 0.059 nan 8.360 nan 0.000 0.456 386 K N 1.426 121.829 120.400 0.004 0.000 2.581 386 K HA 0.318 4.638 4.320 -0.000 0.000 0.249 386 K C -1.815 174.746 176.600 -0.065 0.000 0.966 386 K CA -0.633 55.594 56.287 -0.101 0.000 0.811 386 K CB 1.543 33.937 32.500 -0.177 0.000 1.223 386 K HN 0.550 nan 8.250 nan 0.000 0.438 387 N N 4.252 122.878 118.700 -0.122 0.000 2.469 387 N HA 0.118 4.858 4.740 -0.000 0.000 0.239 387 N C -0.139 175.316 175.510 -0.091 0.000 1.053 387 N CA -0.291 52.750 53.050 -0.015 0.000 0.937 387 N CB 0.223 38.711 38.487 0.001 0.000 1.163 387 N HN 0.671 nan 8.380 nan 0.000 0.509 388 W N 2.211 123.554 121.300 0.071 0.000 2.595 388 W HA 0.006 4.666 4.660 -0.000 0.000 0.257 388 W C 2.025 178.564 176.519 0.032 0.000 1.267 388 W CA -0.025 57.356 57.345 0.060 0.000 1.300 388 W CB -0.228 29.283 29.460 0.085 0.000 1.120 388 W HN 0.587 nan 8.180 nan 0.000 0.618 389 C N 0.431 119.839 119.300 0.181 0.000 2.419 389 C HA -0.183 4.277 4.460 -0.000 0.000 0.281 389 C C 2.336 177.356 174.990 0.049 0.000 1.336 389 C CA 1.461 60.541 59.018 0.104 0.000 1.770 389 C CB -1.521 26.263 27.740 0.074 0.000 1.929 389 C HN 0.506 nan 8.230 nan 0.000 0.509 390 E N 0.863 121.070 120.200 0.012 0.000 2.481 390 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 390 E C -0.031 176.544 176.600 -0.042 0.000 1.047 390 E CA 0.394 56.777 56.400 -0.028 0.000 0.867 390 E CB -0.209 29.459 29.700 -0.054 0.000 0.858 390 E HN 0.494 nan 8.360 nan 0.000 0.513 391 E N 2.205 122.399 120.200 -0.010 0.000 2.070 391 E HA -0.023 4.327 4.350 -0.000 0.000 0.282 391 E C 0.509 177.094 176.600 -0.024 0.000 1.104 391 E CA 0.040 56.439 56.400 -0.001 0.000 0.876 391 E CB 1.439 31.201 29.700 0.103 0.000 1.055 391 E HN 0.363 nan 8.360 nan 0.000 0.401 392 Q N 2.972 122.697 119.800 -0.125 0.000 2.096 392 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 392 Q C 0.372 176.137 176.000 -0.392 0.000 0.982 392 Q CA 1.663 57.274 55.803 -0.321 0.000 0.850 392 Q CB 0.072 28.491 28.738 -0.532 0.000 0.901 392 Q HN 0.600 nan 8.270 nan 0.000 0.422 393 Y N -0.934 119.395 120.300 0.049 0.000 2.532 393 Y HA 0.239 4.789 4.550 -0.000 0.000 0.283 393 Y C 1.485 177.445 175.900 0.101 0.000 1.181 393 Y CA -0.265 57.873 58.100 0.063 0.000 1.256 393 Y CB 0.869 39.358 38.460 0.049 0.000 1.112 393 Y HN 0.075 nan 8.280 nan 0.000 0.521 394 S N -1.651 114.172 115.700 0.205 0.000 2.807 394 S HA 0.281 4.751 4.470 -0.000 0.000 0.247 394 S C 1.870 176.550 174.600 0.134 0.000 1.078 394 S CA 0.557 58.885 58.200 0.213 0.000 0.867 394 S CB 0.568 63.978 63.200 0.350 0.000 0.797 394 S HN 0.537 nan 8.310 nan 0.000 0.515 395 G N 1.055 109.914 108.800 0.099 0.000 2.225 395 G HA2 0.053 4.013 3.960 -0.000 0.000 0.254 395 G HA3 0.053 4.013 3.960 -0.000 0.000 0.254 395 G C 0.477 175.420 174.900 0.073 0.000 0.988 395 G CA 0.097 45.226 45.100 0.048 0.000 0.625 395 G HN 1.358 nan 8.290 nan 0.000 0.527 396 G N -2.372 106.511 108.800 0.138 0.000 2.356 396 G HA2 0.526 4.486 3.960 -0.000 0.000 0.288 396 G HA3 0.526 4.486 3.960 -0.000 0.000 0.288 396 G C -1.058 173.925 174.900 0.137 0.000 1.302 396 G CA 0.339 45.528 45.100 0.148 0.000 0.887 396 G HN 1.423 nan 8.290 nan 0.000 0.521 397 C N -1.550 117.781 119.300 0.052 0.000 3.239 397 C HA 0.606 5.066 4.460 -0.000 0.000 0.317 397 C C 0.760 175.590 174.990 -0.267 0.000 1.310 397 C CA -0.628 58.342 59.018 -0.081 0.000 1.371 397 C CB 0.851 28.445 27.740 -0.244 0.000 1.714 397 C HN 0.721 nan 8.230 nan 0.000 0.473 398 Y N 0.602 120.845 120.300 -0.095 0.000 2.337 398 Y HA 0.225 4.775 4.550 -0.000 0.000 0.293 398 Y C 1.563 177.442 175.900 -0.034 0.000 1.123 398 Y CA 1.093 59.114 58.100 -0.133 0.000 1.201 398 Y CB -0.379 37.993 38.460 -0.146 0.000 1.011 398 Y HN 0.679 nan 8.280 nan 0.000 0.545 399 T N -1.874 112.770 114.554 0.149 0.000 2.711 399 T HA 0.335 4.685 4.350 -0.000 0.000 0.302 399 T C -0.835 173.969 174.700 0.174 0.000 1.373 399 T CA -0.721 61.506 62.100 0.211 0.000 1.000 399 T CB 1.048 70.133 68.868 0.362 0.000 1.483 399 T HN -0.155 nan 8.240 nan 0.000 0.499 400 T N 2.750 117.419 114.554 0.193 0.000 2.851 400 T HA 0.473 4.823 4.350 -0.000 0.000 0.298 400 T C -0.786 173.927 174.700 0.021 0.000 0.977 400 T CA 0.060 62.176 62.100 0.028 0.000 1.126 400 T CB -0.381 68.495 68.868 0.012 0.000 0.916 400 T HN 0.470 nan 8.240 nan 0.000 0.529 401 Y N 0.939 121.016 120.300 -0.373 0.000 2.528 401 Y HA 0.785 5.335 4.550 -0.000 0.000 0.335 401 Y C -1.280 174.048 175.900 -0.953 0.000 1.093 401 Y CA -2.240 55.276 58.100 -0.973 0.000 1.134 401 Y CB 0.783 38.821 38.460 -0.703 0.000 1.253 401 Y HN 0.407 nan 8.280 nan 0.000 0.478 402 F N 3.473 122.654 119.950 -1.282 0.000 2.375 402 F HA 0.558 5.085 4.527 -0.000 0.000 0.361 402 F C -2.301 173.402 175.800 -0.161 0.000 1.117 402 F CA -2.719 54.911 58.000 -0.617 0.000 1.037 402 F CB 1.459 40.155 39.000 -0.506 0.000 1.192 402 F HN 0.366 nan 8.300 nan 0.000 0.452 403 P HA 0.092 nan 4.420 nan 0.000 0.271 403 P C -2.522 174.882 177.300 0.174 0.000 1.233 403 P CA -1.073 62.111 63.100 0.141 0.000 0.789 403 P CB -0.150 31.578 31.700 0.048 0.000 0.951 404 P HA -0.044 nan 4.420 nan 0.000 0.264 404 P C 0.924 178.318 177.300 0.157 0.000 1.183 404 P CA 1.254 64.459 63.100 0.176 0.000 0.763 404 P CB -0.051 31.734 31.700 0.143 0.000 0.807 405 G N 2.780 111.685 108.800 0.176 0.000 2.225 405 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 405 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 405 G C 0.836 175.851 174.900 0.193 0.000 0.988 405 G CA 0.131 45.324 45.100 0.156 0.000 0.625 405 G HN 0.431 nan 8.290 nan 0.000 0.527 406 I N 0.188 120.905 120.570 0.245 0.000 2.339 406 I HA 0.123 4.293 4.170 -0.000 0.000 0.245 406 I C 2.658 179.021 176.117 0.410 0.000 1.096 406 I CA 1.405 62.907 61.300 0.337 0.000 1.408 406 I CB -1.235 36.895 38.000 0.217 0.000 1.092 406 I HN 0.285 nan 8.210 nan 0.000 0.423 407 L N 1.091 122.540 121.223 0.376 0.000 2.046 407 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 407 L C 2.633 179.574 176.870 0.119 0.000 1.077 407 L CA 2.484 57.410 54.840 0.142 0.000 0.747 407 L CB -0.937 41.095 42.059 -0.046 0.000 0.896 407 L HN 0.435 nan 8.230 nan 0.000 0.432 408 T N -4.338 110.298 114.554 0.137 0.000 2.857 408 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 408 T C 1.817 176.484 174.700 -0.056 0.000 1.048 408 T CA 0.905 63.060 62.100 0.092 0.000 1.139 408 T CB -0.319 68.607 68.868 0.097 0.000 0.874 408 T HN 0.344 nan 8.240 nan 0.000 0.455 409 Q N -0.058 119.704 119.800 -0.063 0.000 2.163 409 Q HA 0.114 4.454 4.340 -0.000 0.000 0.198 409 Q C 1.151 176.836 176.000 -0.525 0.000 0.954 409 Q CA 1.221 56.844 55.803 -0.300 0.000 0.851 409 Q CB -0.024 28.525 28.738 -0.315 0.000 0.928 409 Q HN 0.774 nan 8.270 nan 0.000 0.459 410 Y N -1.719 118.517 120.300 -0.107 0.000 2.432 410 Y HA 0.264 4.814 4.550 -0.000 0.000 0.252 410 Y C 2.015 177.797 175.900 -0.197 0.000 1.097 410 Y CA 0.091 58.111 58.100 -0.133 0.000 1.250 410 Y CB 0.233 38.657 38.460 -0.060 0.000 1.245 410 Y HN 0.088 nan 8.280 nan 0.000 0.522 411 G N 0.753 109.475 108.800 -0.130 0.000 2.442 411 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 411 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 411 G C 1.670 176.112 174.900 -0.763 0.000 1.141 411 G CA 0.832 45.758 45.100 -0.290 0.000 0.763 411 G HN 0.286 nan 8.290 nan 0.000 0.554 412 R N -0.222 119.540 120.500 -1.231 0.000 2.139 412 R HA -0.084 4.256 4.340 -0.000 0.000 0.243 412 R C 2.593 178.644 176.300 -0.416 0.000 1.145 412 R CA 1.519 56.968 56.100 -1.085 0.000 0.976 412 R CB -0.324 29.466 30.300 -0.851 0.000 0.866 412 R HN 0.499 nan 8.270 nan 0.000 0.449 413 V N -1.808 117.932 119.914 -0.289 0.000 3.649 413 V HA 0.029 4.149 4.120 -0.000 0.000 0.275 413 V C 1.752 177.737 176.094 -0.182 0.000 1.281 413 V CA 0.426 62.617 62.300 -0.182 0.000 1.143 413 V CB -0.143 31.588 31.823 -0.154 0.000 0.892 413 V HN 0.069 nan 8.190 nan 0.000 0.441 414 L N 2.537 123.690 121.223 -0.116 0.000 1.990 414 L HA -0.120 4.220 4.340 -0.000 0.000 0.213 414 L C 2.600 179.414 176.870 -0.093 0.000 1.072 414 L CA 2.697 57.495 54.840 -0.069 0.000 0.755 414 L CB -0.460 41.658 42.059 0.099 0.000 0.889 414 L HN 0.656 nan 8.230 nan 0.000 0.432 415 R N -0.928 119.612 120.500 0.066 0.000 2.546 415 R HA 0.177 4.517 4.340 -0.000 0.000 0.320 415 R C 0.484 176.926 176.300 0.236 0.000 1.021 415 R CA -0.255 55.970 56.100 0.208 0.000 1.088 415 R CB -0.369 30.123 30.300 0.320 0.000 1.278 415 R HN 0.343 nan 8.270 nan 0.000 0.557 416 Q N 2.652 122.509 119.800 0.095 0.000 2.286 416 Q HA 0.203 4.543 4.340 -0.000 0.000 0.267 416 Q C -2.114 173.995 176.000 0.182 0.000 1.028 416 Q CA -2.106 53.757 55.803 0.100 0.000 0.901 416 Q CB 0.856 29.596 28.738 0.003 0.000 1.183 416 Q HN 0.029 nan 8.270 nan 0.000 0.392 417 P HA -0.060 nan 4.420 nan 0.000 0.267 417 P C -1.263 176.041 177.300 0.006 0.000 1.200 417 P CA -0.026 63.023 63.100 -0.086 0.000 0.772 417 P CB 0.644 32.028 31.700 -0.527 0.000 0.855 418 V N 3.449 123.382 119.914 0.032 0.000 2.257 418 V HA 0.149 4.269 4.120 -0.000 0.000 0.269 418 V C 0.680 176.744 176.094 -0.049 0.000 1.040 418 V CA 0.152 62.465 62.300 0.023 0.000 0.813 418 V CB 0.018 31.897 31.823 0.093 0.000 1.065 418 V HN 0.785 nan 8.190 nan 0.000 0.457 419 D N 4.042 124.413 120.400 -0.048 0.000 4.438 419 D HA -0.301 4.338 4.640 -0.000 0.000 0.158 419 D C 1.323 177.613 176.300 -0.016 0.000 0.686 419 D CA 2.362 56.352 54.000 -0.017 0.000 1.183 419 D CB -0.290 40.513 40.800 0.005 0.000 0.623 419 D HN 0.557 nan 8.370 nan 0.000 0.521 420 R N -0.068 120.448 120.500 0.028 0.000 2.468 420 R HA 0.453 4.793 4.340 -0.000 0.000 0.280 420 R C -0.248 176.156 176.300 0.173 0.000 0.963 420 R CA -0.135 56.079 56.100 0.189 0.000 1.083 420 R CB 0.425 30.778 30.300 0.088 0.000 1.200 420 R HN 0.291 nan 8.270 nan 0.000 0.541 421 I N 1.205 121.719 120.570 -0.092 0.000 2.321 421 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 421 I C -0.602 175.160 176.117 -0.591 0.000 0.998 421 I CA -0.735 60.430 61.300 -0.226 0.000 1.227 421 I CB 0.723 38.569 38.000 -0.258 0.000 1.368 421 I HN -0.076 nan 8.210 nan 0.000 0.466 422 Y N 5.274 125.331 120.300 -0.404 0.000 2.487 422 Y HA 0.530 5.080 4.550 -0.000 0.000 0.337 422 Y C -0.504 175.067 175.900 -0.548 0.000 1.076 422 Y CA -0.693 57.199 58.100 -0.348 0.000 1.115 422 Y CB 1.530 39.911 38.460 -0.133 0.000 1.235 422 Y HN 0.290 nan 8.280 nan 0.000 0.468 423 F N 1.368 121.427 119.950 0.182 0.000 2.403 423 F HA 0.696 5.223 4.527 -0.000 0.000 0.355 423 F C 0.413 176.293 175.800 0.133 0.000 1.119 423 F CA -0.566 57.515 58.000 0.135 0.000 1.007 423 F CB 0.987 40.051 39.000 0.106 0.000 1.194 423 F HN 0.602 nan 8.300 nan 0.000 0.443 424 A N 2.347 125.313 122.820 0.243 0.000 3.444 424 A HA 0.952 5.271 4.320 -0.000 0.000 0.189 424 A C 0.425 178.140 177.584 0.219 0.000 1.542 424 A CA -0.383 51.765 52.037 0.186 0.000 0.867 424 A CB -0.100 18.965 19.000 0.109 0.000 1.712 424 A HN 1.455 nan 8.150 nan 0.000 0.556 425 G N -2.508 106.400 108.800 0.179 0.000 2.777 425 G HA2 0.081 4.041 3.960 -0.000 0.000 0.686 425 G HA3 0.081 4.041 3.960 -0.000 0.000 0.686 425 G C 0.434 175.467 174.900 0.222 0.000 1.177 425 G CA 0.623 45.839 45.100 0.192 0.000 0.775 425 G HN 1.559 nan 8.290 nan 0.000 0.613 426 T N 0.257 114.944 114.554 0.221 0.000 2.849 426 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 426 T C 2.118 177.026 174.700 0.346 0.000 1.066 426 T CA 2.683 64.942 62.100 0.265 0.000 1.130 426 T CB -0.177 68.844 68.868 0.254 0.000 0.864 426 T HN 0.628 nan 8.240 nan 0.000 0.481 427 E N 0.509 120.919 120.200 0.350 0.000 2.267 427 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 427 E C 2.245 179.111 176.600 0.444 0.000 0.998 427 E CA 1.592 58.252 56.400 0.433 0.000 0.830 427 E CB -0.215 29.700 29.700 0.358 0.000 0.751 427 E HN 0.717 nan 8.360 nan 0.000 0.491 428 T N -2.530 112.246 114.554 0.370 0.000 3.107 428 T HA 0.451 4.801 4.350 -0.000 0.000 0.249 428 T C 0.784 175.731 174.700 0.412 0.000 1.096 428 T CA 0.021 62.341 62.100 0.367 0.000 1.012 428 T CB 0.172 69.233 68.868 0.321 0.000 0.977 428 T HN 0.102 nan 8.240 nan 0.000 0.527 429 A N 1.735 124.803 122.820 0.412 0.000 2.346 429 A HA 0.535 4.855 4.320 -0.000 0.000 0.252 429 A C 1.518 179.377 177.584 0.458 0.000 1.089 429 A CA 0.126 52.407 52.037 0.407 0.000 0.797 429 A CB 0.335 19.532 19.000 0.329 0.000 1.047 429 A HN 0.511 nan 8.150 nan 0.000 0.494 430 T N -2.474 112.324 114.554 0.406 0.000 3.010 430 T HA 0.244 4.594 4.350 -0.000 0.000 0.257 430 T C 0.254 175.052 174.700 0.163 0.000 1.020 430 T CA 0.685 62.969 62.100 0.306 0.000 0.938 430 T CB -0.399 68.577 68.868 0.181 0.000 1.049 430 T HN 0.761 nan 8.240 nan 0.000 0.522 431 H N -1.234 117.864 119.070 0.046 0.000 2.877 431 H HA 0.301 4.857 4.556 -0.000 0.000 0.347 431 H C -1.010 174.330 175.328 0.020 0.000 1.042 431 H CA -1.219 54.775 56.048 -0.091 0.000 1.276 431 H CB 0.974 30.743 29.762 0.011 0.000 1.681 431 H HN 0.285 nan 8.280 nan 0.000 0.521 432 W N 2.167 123.303 121.300 -0.274 0.000 5.121 432 W HA -0.258 4.402 4.660 0.000 0.000 0.372 432 W C 0.485 176.922 176.519 -0.136 0.000 1.394 432 W CA 0.924 58.020 57.345 -0.415 0.000 0.885 432 W CB -1.622 27.539 29.460 -0.497 0.000 2.520 432 W HN 0.383 nan 8.180 nan 0.000 1.455 433 S N 0.431 116.165 115.700 0.057 0.000 2.558 433 S HA 0.366 4.836 4.470 -0.000 0.000 0.287 433 S C 1.462 176.301 174.600 0.398 0.000 1.321 433 S CA 1.786 60.142 58.200 0.261 0.000 1.048 433 S CB 0.761 64.179 63.200 0.363 0.000 0.844 433 S HN 1.443 nan 8.310 nan 0.000 0.512 434 G N 3.160 112.273 108.800 0.522 0.000 2.225 434 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.254 434 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.254 434 G C -0.053 175.026 174.900 0.300 0.000 0.988 434 G CA 0.580 46.014 45.100 0.556 0.000 0.625 434 G HN 0.865 nan 8.290 nan 0.000 0.527 435 H N -1.106 118.097 119.070 0.222 0.000 2.676 435 H HA 0.716 5.272 4.556 -0.000 0.000 0.352 435 H C 1.726 177.105 175.328 0.084 0.000 1.193 435 H CA -0.366 55.757 56.048 0.126 0.000 1.243 435 H CB 0.834 30.669 29.762 0.122 0.000 1.751 435 H HN 0.001 nan 8.280 nan 0.000 0.567 436 M N 0.063 119.750 119.600 0.144 0.000 2.149 436 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 436 M C 1.886 178.236 176.300 0.082 0.000 1.064 436 M CA 1.728 57.085 55.300 0.094 0.000 1.102 436 M CB -0.135 32.512 32.600 0.078 0.000 1.369 436 M HN 0.646 nan 8.290 nan 0.000 0.408 437 E N 0.812 121.032 120.200 0.034 0.000 2.070 437 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 437 E C 1.960 178.616 176.600 0.092 0.000 1.004 437 E CA 2.110 58.501 56.400 -0.014 0.000 0.805 437 E CB -0.684 28.876 29.700 -0.234 0.000 0.744 437 E HN 0.437 nan 8.360 nan 0.000 0.451 438 G N 0.052 108.959 108.800 0.178 0.000 2.422 438 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 438 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 438 G C 1.713 176.727 174.900 0.190 0.000 1.146 438 G CA 1.158 46.389 45.100 0.218 0.000 0.769 438 G HN 0.481 nan 8.290 nan 0.000 0.547 439 A N 0.278 123.197 122.820 0.165 0.000 1.883 439 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 439 A C 2.627 180.271 177.584 0.100 0.000 1.186 439 A CA 2.043 54.160 52.037 0.133 0.000 0.624 439 A CB -0.717 18.349 19.000 0.110 0.000 0.822 439 A HN 0.279 nan 8.150 nan 0.000 0.444 440 V N 0.126 120.088 119.914 0.082 0.000 2.261 440 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 440 V C 2.558 178.690 176.094 0.063 0.000 1.047 440 V CA 2.248 64.581 62.300 0.056 0.000 1.015 440 V CB -0.842 31.005 31.823 0.040 0.000 0.642 440 V HN 0.748 nan 8.190 nan 0.000 0.446 441 E N 0.490 120.747 120.200 0.094 0.000 2.070 441 E HA -0.295 4.055 4.350 -0.000 0.000 0.197 441 E C 2.215 178.858 176.600 0.073 0.000 1.004 441 E CA 1.878 58.345 56.400 0.111 0.000 0.805 441 E CB -0.192 29.622 29.700 0.191 0.000 0.744 441 E HN 0.549 nan 8.360 nan 0.000 0.451 442 A N 0.626 123.510 122.820 0.108 0.000 1.898 442 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 442 A C 2.420 180.026 177.584 0.037 0.000 1.181 442 A CA 1.657 53.749 52.037 0.092 0.000 0.620 442 A CB -0.998 18.104 19.000 0.171 0.000 0.819 442 A HN 0.450 nan 8.150 nan 0.000 0.442 443 G N -0.305 108.521 108.800 0.044 0.000 2.421 443 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 443 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 443 G C 1.434 176.319 174.900 -0.025 0.000 1.171 443 G CA 0.969 46.080 45.100 0.019 0.000 0.775 443 G HN 0.645 nan 8.290 nan 0.000 0.543 444 E N -0.186 119.995 120.200 -0.031 0.000 2.106 444 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 444 E C 2.577 179.101 176.600 -0.127 0.000 0.984 444 E CA 0.286 56.650 56.400 -0.060 0.000 0.806 444 E CB -0.118 29.563 29.700 -0.032 0.000 0.750 444 E HN 0.193 nan 8.360 nan 0.000 0.458 445 R N 1.301 121.689 120.500 -0.186 0.000 2.073 445 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 445 R C 2.146 178.264 176.300 -0.304 0.000 1.134 445 R CA 1.577 57.449 56.100 -0.381 0.000 0.952 445 R CB -0.412 29.479 30.300 -0.683 0.000 0.850 445 R HN 0.159 nan 8.270 nan 0.000 0.433 446 A N 0.846 123.562 122.820 -0.173 0.000 1.902 446 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 446 A C 2.443 179.917 177.584 -0.182 0.000 1.181 446 A CA 1.935 53.911 52.037 -0.101 0.000 0.623 446 A CB -0.787 18.216 19.000 0.006 0.000 0.818 446 A HN 0.519 nan 8.150 nan 0.000 0.443 447 A N -0.116 122.613 122.820 -0.152 0.000 1.883 447 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 447 A C 2.254 179.711 177.584 -0.212 0.000 1.186 447 A CA 1.682 53.620 52.037 -0.165 0.000 0.624 447 A CB -0.499 18.440 19.000 -0.101 0.000 0.822 447 A HN 0.562 nan 8.150 nan 0.000 0.444 448 R N -0.548 119.835 120.500 -0.196 0.000 2.148 448 R HA -0.078 4.262 4.340 -0.000 0.000 0.227 448 R C 2.044 178.221 176.300 -0.204 0.000 1.103 448 R CA 1.217 57.209 56.100 -0.180 0.000 0.983 448 R CB -0.269 29.935 30.300 -0.159 0.000 0.874 448 R HN 0.685 nan 8.270 nan 0.000 0.451 449 E N 0.724 120.762 120.200 -0.270 0.000 2.085 449 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 449 E C 1.970 178.254 176.600 -0.528 0.000 0.994 449 E CA 1.130 57.360 56.400 -0.284 0.000 0.801 449 E CB -0.083 29.485 29.700 -0.220 0.000 0.743 449 E HN 0.329 nan 8.360 nan 0.000 0.453 450 I N 0.915 121.036 120.570 -0.749 0.000 2.252 450 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 450 I C 2.310 178.096 176.117 -0.552 0.000 1.102 450 I CA 0.821 61.574 61.300 -0.912 0.000 1.385 450 I CB -0.142 37.380 38.000 -0.797 0.000 1.064 450 I HN 0.111 nan 8.210 nan 0.000 0.414 451 L N -0.053 120.977 121.223 -0.322 0.000 2.042 451 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 451 L C 2.716 179.509 176.870 -0.130 0.000 1.076 451 L CA 1.682 56.412 54.840 -0.183 0.000 0.749 451 L CB -0.910 41.080 42.059 -0.115 0.000 0.893 451 L HN 0.368 nan 8.230 nan 0.000 0.432 452 H N 0.051 119.004 119.070 -0.194 0.000 2.357 452 H HA -0.096 4.460 4.556 -0.000 0.000 0.301 452 H C 2.129 177.392 175.328 -0.109 0.000 1.082 452 H CA 1.452 57.428 56.048 -0.120 0.000 1.342 452 H CB 0.048 29.758 29.762 -0.087 0.000 1.389 452 H HN 0.248 nan 8.280 nan 0.000 0.511 453 A N 0.570 123.212 122.820 -0.297 0.000 1.978 453 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 453 A C 2.260 179.742 177.584 -0.170 0.000 1.170 453 A CA 1.782 53.663 52.037 -0.260 0.000 0.636 453 A CB -0.651 18.185 19.000 -0.273 0.000 0.810 453 A HN 0.575 nan 8.150 nan 0.000 0.448 454 M N -1.256 118.229 119.600 -0.192 0.000 2.618 454 M HA 0.150 4.630 4.480 -0.000 0.000 0.240 454 M C 1.337 177.595 176.300 -0.071 0.000 1.123 454 M CA 0.739 56.004 55.300 -0.059 0.000 1.060 454 M CB 0.085 32.660 32.600 -0.042 0.000 1.535 454 M HN 0.613 nan 8.290 nan 0.000 0.507 455 G N 1.169 109.886 108.800 -0.138 0.000 2.153 455 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 455 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 455 G C 0.865 175.732 174.900 -0.054 0.000 0.994 455 G CA 0.560 45.595 45.100 -0.110 0.000 0.698 455 G HN 0.483 nan 8.290 nan 0.000 0.521 456 K N -0.515 119.854 120.400 -0.051 0.000 2.243 456 K HA 0.313 4.633 4.320 -0.000 0.000 0.201 456 K C 1.369 177.966 176.600 -0.005 0.000 1.051 456 K CA 1.290 57.560 56.287 -0.027 0.000 0.970 456 K CB 0.248 32.726 32.500 -0.038 0.000 0.755 456 K HN 0.813 nan 8.250 nan 0.000 0.465 457 I N -1.968 118.614 120.570 0.019 0.000 2.969 457 I HA 0.462 4.632 4.170 -0.000 0.000 0.307 457 I C -2.992 173.211 176.117 0.142 0.000 1.149 457 I CA -3.005 58.326 61.300 0.053 0.000 1.008 457 I CB 2.357 40.375 38.000 0.029 0.000 1.232 457 I HN -0.257 nan 8.210 nan 0.000 0.435 458 P HA 0.147 nan 4.420 nan 0.000 0.276 458 P C 0.210 177.553 177.300 0.071 0.000 1.252 458 P CA -0.054 63.136 63.100 0.150 0.000 0.802 458 P CB 1.158 32.903 31.700 0.075 0.000 1.035 459 E N 0.617 120.782 120.200 -0.058 0.000 2.130 459 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 459 E C 0.966 177.488 176.600 -0.131 0.000 0.998 459 E CA 1.651 57.825 56.400 -0.376 0.000 0.806 459 E CB -0.135 29.413 29.700 -0.252 0.000 0.738 459 E HN 0.493 nan 8.360 nan 0.000 0.459 460 D N -0.293 120.091 120.400 -0.027 0.000 2.378 460 D HA -0.123 4.517 4.640 -0.000 0.000 0.227 460 D C 0.848 177.173 176.300 0.042 0.000 1.012 460 D CA 0.552 54.567 54.000 0.025 0.000 0.905 460 D CB -0.192 40.625 40.800 0.029 0.000 0.895 460 D HN 0.288 nan 8.370 nan 0.000 0.532 461 E N -0.418 119.791 120.200 0.015 0.000 2.481 461 E HA 0.196 4.546 4.350 -0.000 0.000 0.198 461 E C 1.792 178.386 176.600 -0.010 0.000 1.027 461 E CA -0.263 56.147 56.400 0.017 0.000 0.900 461 E CB 0.335 30.043 29.700 0.012 0.000 0.993 461 E HN 0.310 nan 8.360 nan 0.000 0.482 462 I N -0.009 120.540 120.570 -0.035 0.000 2.142 462 I HA -0.178 3.992 4.170 -0.000 0.000 0.240 462 I C 0.489 176.471 176.117 -0.225 0.000 1.078 462 I CA 1.122 62.332 61.300 -0.150 0.000 1.343 462 I CB 0.050 37.945 38.000 -0.175 0.000 1.046 462 I HN 0.097 nan 8.210 nan 0.000 0.405 463 W N 1.783 123.082 121.300 -0.003 0.000 2.335 463 W HA 0.462 5.122 4.660 -0.000 0.000 0.307 463 W C 0.147 176.675 176.519 0.015 0.000 1.117 463 W CA -0.202 57.154 57.345 0.018 0.000 1.228 463 W CB 0.542 30.015 29.460 0.021 0.000 1.240 463 W HN -0.014 nan 8.180 nan 0.000 0.468 464 Q N 2.815 122.736 119.800 0.201 0.000 2.340 464 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 464 Q C 0.105 176.185 176.000 0.134 0.000 1.031 464 Q CA -0.554 55.325 55.803 0.127 0.000 0.804 464 Q CB 1.677 30.453 28.738 0.064 0.000 1.286 464 Q HN 0.552 nan 8.270 nan 0.000 0.448 465 S N 2.496 118.261 115.700 0.107 0.000 2.584 465 S HA 0.245 4.714 4.470 -0.000 0.000 0.270 465 S C -0.201 174.448 174.600 0.081 0.000 1.346 465 S CA -0.521 57.736 58.200 0.095 0.000 1.018 465 S CB 1.322 64.562 63.200 0.067 0.000 0.899 465 S HN 0.671 nan 8.310 nan 0.000 0.542 466 E N 1.169 121.419 120.200 0.084 0.000 2.191 466 E HA 0.565 4.915 4.350 -0.000 0.000 0.263 466 E C -2.765 173.870 176.600 0.058 0.000 0.881 466 E CA -2.176 54.266 56.400 0.070 0.000 0.757 466 E CB 0.988 30.737 29.700 0.081 0.000 1.147 466 E HN 0.535 nan 8.360 nan 0.000 0.414 467 P HA 0.054 nan 4.420 nan 0.000 0.269 467 P C -0.707 176.614 177.300 0.036 0.000 1.209 467 P CA -0.157 62.964 63.100 0.036 0.000 0.776 467 P CB 0.510 32.226 31.700 0.028 0.000 0.876 468 E N 1.405 121.625 120.200 0.033 0.000 2.384 468 E HA 0.087 4.437 4.350 -0.000 0.000 0.266 468 E C -0.129 176.484 176.600 0.022 0.000 1.012 468 E CA -0.318 56.101 56.400 0.031 0.000 0.901 468 E CB 0.434 30.152 29.700 0.030 0.000 0.967 468 E HN 0.377 nan 8.360 nan 0.000 0.435 469 S N 2.934 118.644 115.700 0.016 0.000 2.546 469 S HA -0.048 4.422 4.470 -0.000 0.000 0.290 469 S C 1.202 175.808 174.600 0.010 0.000 1.290 469 S CA -0.085 58.121 58.200 0.011 0.000 1.069 469 S CB 0.780 63.981 63.200 0.001 0.000 0.846 469 S HN 0.521 nan 8.310 nan 0.000 0.495 470 V N 2.096 122.017 119.914 0.012 0.000 2.871 470 V HA 0.037 4.157 4.120 -0.000 0.000 0.256 470 V C 1.473 177.573 176.094 0.009 0.000 1.082 470 V CA 1.556 63.863 62.300 0.011 0.000 1.105 470 V CB -0.560 31.270 31.823 0.012 0.000 0.713 470 V HN 0.815 nan 8.190 nan 0.000 0.473 471 D N 0.956 121.361 120.400 0.009 0.000 2.213 471 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 471 D C 0.783 177.082 176.300 -0.002 0.000 0.961 471 D CA 1.129 55.134 54.000 0.008 0.000 0.853 471 D CB 0.753 41.562 40.800 0.016 0.000 0.967 471 D HN 0.521 nan 8.370 nan 0.000 0.496 472 V N 3.641 123.548 119.914 -0.010 0.000 2.384 472 V HA 0.203 4.323 4.120 -0.000 0.000 0.257 472 V C -2.413 173.671 176.094 -0.017 0.000 0.969 472 V CA -1.277 61.008 62.300 -0.026 0.000 0.910 472 V CB 1.326 33.117 31.823 -0.054 0.000 1.150 472 V HN -0.046 nan 8.190 nan 0.000 0.481 473 P HA 0.411 nan 4.420 nan 0.000 0.277 473 P C -0.393 176.909 177.300 0.003 0.000 1.240 473 P CA -0.024 63.077 63.100 0.002 0.000 0.798 473 P CB 1.706 33.408 31.700 0.005 0.000 0.979 474 A N 3.184 126.012 122.820 0.014 0.000 2.274 474 A HA 0.333 4.652 4.320 -0.000 0.000 0.309 474 A C 0.296 177.892 177.584 0.019 0.000 1.226 474 A CA -0.519 51.531 52.037 0.022 0.000 0.853 474 A CB 0.191 19.217 19.000 0.043 0.000 1.146 474 A HN 0.452 nan 8.150 nan 0.000 0.518 475 Q N 2.580 122.390 119.800 0.016 0.000 2.299 475 Q HA 0.359 4.699 4.340 -0.000 0.000 0.246 475 Q C -2.311 173.700 176.000 0.019 0.000 0.935 475 Q CA -1.762 54.050 55.803 0.015 0.000 0.887 475 Q CB 0.821 29.565 28.738 0.011 0.000 1.223 475 Q HN 0.568 nan 8.270 nan 0.000 0.439 476 P HA 0.187 nan 4.420 nan 0.000 0.274 476 P C -0.373 176.935 177.300 0.014 0.000 1.231 476 P CA -0.371 62.736 63.100 0.012 0.000 0.790 476 P CB 0.744 32.448 31.700 0.007 0.000 0.951 477 I N 2.123 122.699 120.570 0.009 0.000 2.352 477 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 477 I C 1.198 177.319 176.117 0.006 0.000 1.036 477 I CA 0.109 61.417 61.300 0.013 0.000 1.336 477 I CB 0.054 38.055 38.000 0.000 0.000 1.407 477 I HN 0.407 nan 8.210 nan 0.000 0.497 478 T N 2.051 116.617 114.554 0.019 0.000 2.918 478 T HA 0.798 5.148 4.350 -0.000 0.000 0.286 478 T C 0.044 174.755 174.700 0.019 0.000 1.026 478 T CA -0.694 61.417 62.100 0.017 0.000 1.031 478 T CB 2.106 70.990 68.868 0.027 0.000 1.046 478 T HN 0.640 nan 8.240 nan 0.000 0.479 479 T N -1.096 113.464 114.554 0.010 0.000 2.924 479 T HA 0.728 5.078 4.350 -0.000 0.000 0.291 479 T C 0.292 175.013 174.700 0.036 0.000 1.045 479 T CA -0.749 61.354 62.100 0.006 0.000 1.015 479 T CB 1.345 70.190 68.868 -0.039 0.000 1.103 479 T HN 1.001 nan 8.240 nan 0.000 0.496 480 T N -0.497 114.088 114.554 0.052 0.000 2.902 480 T HA 0.419 4.769 4.350 -0.000 0.000 0.280 480 T C 0.838 175.614 174.700 0.127 0.000 0.992 480 T CA -0.880 61.282 62.100 0.103 0.000 1.015 480 T CB 0.717 69.653 68.868 0.113 0.000 1.044 480 T HN 0.525 nan 8.240 nan 0.000 0.520 481 F N 0.831 120.820 119.950 0.066 0.000 2.091 481 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 481 F C 1.923 177.808 175.800 0.143 0.000 1.103 481 F CA 1.500 59.576 58.000 0.127 0.000 1.228 481 F CB -0.476 38.590 39.000 0.110 0.000 0.984 481 F HN 0.513 nan 8.300 nan 0.000 0.477 482 L N -0.089 121.261 121.223 0.212 0.000 2.056 482 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 482 L C 2.393 179.284 176.870 0.035 0.000 1.078 482 L CA 1.660 56.573 54.840 0.123 0.000 0.749 482 L CB -0.762 41.398 42.059 0.168 0.000 0.901 482 L HN 0.159 nan 8.230 nan 0.000 0.433 483 E N -0.139 120.083 120.200 0.036 0.000 2.085 483 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 483 E C 2.357 178.876 176.600 -0.134 0.000 0.994 483 E CA 1.180 57.571 56.400 -0.015 0.000 0.801 483 E CB -0.046 29.651 29.700 -0.003 0.000 0.743 483 E HN 0.361 nan 8.360 nan 0.000 0.453 484 R N -0.438 119.920 120.500 -0.237 0.000 2.081 484 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 484 R C 1.801 177.727 176.300 -0.624 0.000 1.131 484 R CA 1.220 57.033 56.100 -0.479 0.000 0.960 484 R CB -0.009 29.896 30.300 -0.658 0.000 0.856 484 R HN 0.334 nan 8.270 nan 0.000 0.436 485 H N -1.090 117.793 119.070 -0.311 0.000 3.046 485 H HA 0.201 4.757 4.556 -0.000 0.000 0.262 485 H C 0.323 175.548 175.328 -0.172 0.000 1.044 485 H CA -0.230 55.633 56.048 -0.307 0.000 1.209 485 H CB 0.493 29.922 29.762 -0.556 0.000 1.507 485 H HN 0.033 nan 8.280 nan 0.000 0.507 486 L N 4.595 125.801 121.223 -0.027 0.000 2.525 486 L HA 0.021 4.361 4.340 -0.000 0.000 0.278 486 L C -1.686 175.171 176.870 -0.021 0.000 1.218 486 L CA -1.255 53.593 54.840 0.014 0.000 0.878 486 L CB 0.259 42.364 42.059 0.076 0.000 1.127 486 L HN -0.009 nan 8.230 nan 0.000 0.492 487 P HA 0.119 nan 4.420 nan 0.000 0.276 487 P C -0.597 176.655 177.300 -0.081 0.000 1.244 487 P CA -0.598 62.470 63.100 -0.053 0.000 0.801 487 P CB 1.039 32.707 31.700 -0.052 0.000 1.006 488 S N 0.163 115.794 115.700 -0.116 0.000 2.617 488 S HA 0.078 4.548 4.470 -0.000 0.000 0.259 488 S C 1.524 175.984 174.600 -0.234 0.000 1.301 488 S CA -0.527 57.576 58.200 -0.162 0.000 0.984 488 S CB -0.385 62.713 63.200 -0.170 0.000 0.954 488 S HN 0.221 nan 8.310 nan 0.000 0.572 489 V N 2.323 122.031 119.914 -0.342 0.000 2.255 489 V HA -0.080 4.040 4.120 -0.000 0.000 0.247 489 V C -0.413 175.258 176.094 -0.705 0.000 1.051 489 V CA 1.965 63.970 62.300 -0.493 0.000 1.018 489 V CB -1.956 29.551 31.823 -0.527 0.000 0.641 489 V HN 0.806 nan 8.190 nan 0.000 0.445 490 P HA -0.109 nan 4.420 nan 0.000 0.218 490 P C 1.733 178.833 177.300 -0.334 0.000 1.149 490 P CA 1.973 64.641 63.100 -0.719 0.000 0.817 490 P CB -0.272 31.123 31.700 -0.507 0.000 0.785 491 G N 0.706 109.351 108.800 -0.259 0.000 2.404 491 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 491 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 491 G C 1.524 176.346 174.900 -0.130 0.000 1.174 491 G CA 0.589 45.599 45.100 -0.150 0.000 0.780 491 G HN 0.248 nan 8.290 nan 0.000 0.537 492 L N 0.460 121.592 121.223 -0.151 0.000 2.083 492 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 492 L C 2.670 179.475 176.870 -0.108 0.000 1.083 492 L CA 1.354 56.127 54.840 -0.110 0.000 0.752 492 L CB -0.294 41.702 42.059 -0.105 0.000 0.899 492 L HN 0.211 nan 8.230 nan 0.000 0.433 493 L N -1.089 120.039 121.223 -0.159 0.000 2.093 493 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 493 L C 2.733 179.555 176.870 -0.080 0.000 1.085 493 L CA 1.098 55.864 54.840 -0.124 0.000 0.755 493 L CB -0.514 41.440 42.059 -0.175 0.000 0.904 493 L HN 0.211 nan 8.230 nan 0.000 0.435 494 R N -0.406 120.043 120.500 -0.085 0.000 2.115 494 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 494 R C 2.190 178.467 176.300 -0.038 0.000 1.111 494 R CA 0.967 57.037 56.100 -0.051 0.000 0.976 494 R CB -0.261 30.009 30.300 -0.049 0.000 0.870 494 R HN 0.197 nan 8.270 nan 0.000 0.445 495 L N 0.795 121.992 121.223 -0.044 0.000 2.156 495 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 495 L C 1.054 177.909 176.870 -0.024 0.000 1.095 495 L CA 1.167 55.989 54.840 -0.030 0.000 0.770 495 L CB -0.023 42.017 42.059 -0.031 0.000 0.914 495 L HN 0.022 nan 8.230 nan 0.000 0.439 496 I N 0.000 120.553 120.570 -0.029 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 496 I CB 0.000 37.986 38.000 -0.023 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494