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 1ojc_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.499 175.510 -0.019 0.000 1.280 3 N CA 0.000 52.934 53.050 -0.194 0.000 0.885 3 N CB 0.000 38.412 38.487 -0.124 0.000 1.341 4 K N 1.909 122.316 120.400 0.011 0.000 2.156 4 K HA 0.600 4.920 4.320 -0.000 0.000 0.271 4 K C 0.148 176.785 176.600 0.063 0.000 0.995 4 K CA -0.374 55.935 56.287 0.037 0.000 0.890 4 K CB 2.057 34.566 32.500 0.014 0.000 1.073 4 K HN 0.639 nan 8.250 nan 0.000 0.454 5 C N -1.263 118.078 119.300 0.068 0.000 3.284 5 C HA 0.376 4.836 4.460 -0.000 0.000 0.348 5 C C 0.630 175.654 174.990 0.057 0.000 1.448 5 C CA -0.782 58.277 59.018 0.068 0.000 1.223 5 C CB 0.907 28.700 27.740 0.089 0.000 1.588 5 C HN 0.802 nan 8.230 nan 0.000 0.451 6 D N 0.302 120.738 120.400 0.060 0.000 2.149 6 D HA 0.130 4.770 4.640 -0.000 0.000 0.206 6 D C 0.360 176.720 176.300 0.101 0.000 0.967 6 D CA 1.643 55.687 54.000 0.073 0.000 0.848 6 D CB 0.225 41.068 40.800 0.071 0.000 0.998 6 D HN 0.481 nan 8.370 nan 0.000 0.474 7 V N 1.517 121.482 119.914 0.084 0.000 2.577 7 V HA 0.251 4.371 4.120 -0.000 0.000 0.303 7 V C -0.157 175.966 176.094 0.049 0.000 1.042 7 V CA -0.829 61.521 62.300 0.085 0.000 0.872 7 V CB 2.776 34.639 31.823 0.066 0.000 0.998 7 V HN -0.233 nan 8.190 nan 0.000 0.423 8 V N 5.472 125.411 119.914 0.040 0.000 2.383 8 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 8 V C -0.017 176.069 176.094 -0.013 0.000 1.036 8 V CA -0.392 61.903 62.300 -0.008 0.000 0.889 8 V CB 1.772 33.584 31.823 -0.018 0.000 0.985 8 V HN 0.635 nan 8.190 nan 0.000 0.459 9 V N 6.330 126.223 119.914 -0.036 0.000 2.370 9 V HA 0.329 4.449 4.120 -0.000 0.000 0.279 9 V C 0.028 176.095 176.094 -0.045 0.000 1.029 9 V CA -0.558 61.726 62.300 -0.027 0.000 0.870 9 V CB 1.708 33.518 31.823 -0.021 0.000 0.984 9 V HN 0.599 nan 8.190 nan 0.000 0.451 10 V N 4.476 124.377 119.914 -0.021 0.000 2.348 10 V HA 0.832 4.952 4.120 -0.000 0.000 0.270 10 V C 0.659 176.756 176.094 0.005 0.000 1.037 10 V CA 0.358 62.645 62.300 -0.020 0.000 0.872 10 V CB 0.458 32.285 31.823 0.007 0.000 1.002 10 V HN 1.278 nan 8.190 nan 0.000 0.464 11 G N 3.576 112.366 108.800 -0.016 0.000 3.233 11 G HA2 0.216 4.176 3.960 -0.000 0.000 0.686 11 G HA3 0.216 4.176 3.960 -0.000 0.000 0.686 11 G C 0.066 174.967 174.900 0.001 0.000 1.153 11 G CA -0.487 44.616 45.100 0.005 0.000 0.853 11 G HN 1.215 nan 8.290 nan 0.000 0.582 12 G N 0.703 109.501 108.800 -0.003 0.000 4.098 12 G HA2 0.679 4.639 3.960 -0.000 0.000 0.300 12 G HA3 0.679 4.639 3.960 -0.000 0.000 0.300 12 G C 0.895 175.808 174.900 0.023 0.000 1.187 12 G CA 0.955 46.054 45.100 -0.001 0.000 0.964 12 G HN 1.299 nan 8.290 nan 0.000 0.559 13 G N -0.034 108.791 108.800 0.042 0.000 2.508 13 G HA2 0.338 4.298 3.960 -0.000 0.000 0.278 13 G HA3 0.338 4.298 3.960 -0.000 0.000 0.278 13 G C 1.167 176.093 174.900 0.043 0.000 1.389 13 G CA -0.710 44.424 45.100 0.057 0.000 1.050 13 G HN 0.124 nan 8.290 nan 0.000 0.522 14 I N -0.636 119.963 120.570 0.048 0.000 2.208 14 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 14 I C 3.046 179.186 176.117 0.038 0.000 1.097 14 I CA 1.569 62.890 61.300 0.035 0.000 1.363 14 I CB -0.086 37.939 38.000 0.041 0.000 1.051 14 I HN 0.463 nan 8.210 nan 0.000 0.413 15 S N 0.466 116.201 115.700 0.058 0.000 2.348 15 S HA -0.141 4.329 4.470 -0.000 0.000 0.221 15 S C 2.110 176.736 174.600 0.043 0.000 1.033 15 S CA 1.677 59.914 58.200 0.062 0.000 1.010 15 S CB -0.636 62.619 63.200 0.092 0.000 0.891 15 S HN 0.577 nan 8.310 nan 0.000 0.442 16 G N 1.611 110.435 108.800 0.040 0.000 2.421 16 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 16 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 16 G C 1.451 176.354 174.900 0.005 0.000 1.171 16 G CA 1.076 46.190 45.100 0.022 0.000 0.775 16 G HN 0.385 nan 8.290 nan 0.000 0.543 17 M N 1.337 120.937 119.600 0.001 0.000 2.080 17 M HA 0.032 4.512 4.480 -0.000 0.000 0.260 17 M C 3.004 179.296 176.300 -0.013 0.000 1.068 17 M CA 1.251 56.543 55.300 -0.014 0.000 1.109 17 M CB -1.460 31.129 32.600 -0.017 0.000 1.342 17 M HN 0.317 nan 8.290 nan 0.000 0.405 18 A N 0.086 122.904 122.820 -0.004 0.000 1.902 18 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 18 A C 2.457 180.038 177.584 -0.004 0.000 1.181 18 A CA 2.236 54.271 52.037 -0.003 0.000 0.623 18 A CB -0.965 18.038 19.000 0.006 0.000 0.818 18 A HN 0.482 nan 8.150 nan 0.000 0.443 19 A N -0.101 122.717 122.820 -0.003 0.000 1.877 19 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 19 A C 2.529 180.108 177.584 -0.009 0.000 1.186 19 A CA 2.217 54.247 52.037 -0.012 0.000 0.620 19 A CB -1.090 17.904 19.000 -0.009 0.000 0.822 19 A HN 1.089 nan 8.150 nan 0.000 0.443 20 A N -0.458 122.359 122.820 -0.005 0.000 1.933 20 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 20 A C 2.147 179.746 177.584 0.025 0.000 1.175 20 A CA 1.972 54.010 52.037 0.002 0.000 0.628 20 A CB -0.460 18.530 19.000 -0.017 0.000 0.814 20 A HN 0.547 nan 8.150 nan 0.000 0.444 21 K N -0.525 119.880 120.400 0.009 0.000 2.026 21 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 21 K C 2.006 178.644 176.600 0.063 0.000 1.048 21 K CA 1.596 57.901 56.287 0.029 0.000 0.929 21 K CB -0.322 32.179 32.500 0.001 0.000 0.713 21 K HN 0.457 nan 8.250 nan 0.000 0.439 22 L N 1.188 122.426 121.223 0.026 0.000 2.017 22 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 22 L C 2.214 179.091 176.870 0.012 0.000 1.073 22 L CA 1.218 56.065 54.840 0.011 0.000 0.745 22 L CB -0.142 41.908 42.059 -0.014 0.000 0.894 22 L HN 0.231 nan 8.230 nan 0.000 0.432 23 L N -1.219 120.013 121.223 0.014 0.000 2.056 23 L HA -0.258 4.082 4.340 -0.000 0.000 0.207 23 L C 2.582 179.472 176.870 0.033 0.000 1.078 23 L CA 1.440 56.284 54.840 0.006 0.000 0.749 23 L CB -0.772 41.287 42.059 0.000 0.000 0.901 23 L HN 0.410 nan 8.230 nan 0.000 0.433 24 H N 0.254 119.311 119.070 -0.021 0.000 2.353 24 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 24 H C 1.738 177.057 175.328 -0.014 0.000 1.090 24 H CA 1.989 58.029 56.048 -0.014 0.000 1.327 24 H CB 0.047 29.801 29.762 -0.013 0.000 1.383 24 H HN 0.213 nan 8.280 nan 0.000 0.508 25 D N -0.689 119.715 120.400 0.007 0.000 2.264 25 D HA -0.073 4.567 4.640 -0.000 0.000 0.208 25 D C 1.728 177.983 176.300 -0.075 0.000 0.966 25 D CA 0.991 54.964 54.000 -0.044 0.000 0.864 25 D CB -0.123 40.690 40.800 0.022 0.000 0.933 25 D HN 0.313 nan 8.370 nan 0.000 0.499 26 S N -1.238 114.423 115.700 -0.064 0.000 2.558 26 S HA 0.264 4.734 4.470 -0.000 0.000 0.217 26 S C 1.593 176.149 174.600 -0.073 0.000 0.975 26 S CA 0.571 58.736 58.200 -0.058 0.000 0.912 26 S CB 0.747 63.921 63.200 -0.044 0.000 0.776 26 S HN 0.441 nan 8.310 nan 0.000 0.526 27 G N 0.878 109.609 108.800 -0.115 0.000 2.179 27 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 27 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 27 G C -0.002 174.849 174.900 -0.081 0.000 0.990 27 G CA -0.384 44.647 45.100 -0.115 0.000 0.646 27 G HN 0.405 nan 8.290 nan 0.000 0.517 28 L N 0.958 122.147 121.223 -0.056 0.000 2.418 28 L HA 0.389 4.729 4.340 -0.000 0.000 0.265 28 L C 0.138 177.016 176.870 0.014 0.000 1.143 28 L CA -0.908 53.925 54.840 -0.013 0.000 0.809 28 L CB 0.548 42.607 42.059 0.000 0.000 1.124 28 L HN 0.042 nan 8.230 nan 0.000 0.456 29 N N 1.789 120.510 118.700 0.034 0.000 2.408 29 N HA 0.304 5.044 4.740 -0.000 0.000 0.257 29 N C -0.816 174.736 175.510 0.069 0.000 1.064 29 N CA -0.099 52.987 53.050 0.060 0.000 0.952 29 N CB 1.750 40.268 38.487 0.051 0.000 1.093 29 N HN 0.182 nan 8.380 nan 0.000 0.490 30 V N 1.778 121.743 119.914 0.085 0.000 2.769 30 V HA 0.539 4.659 4.120 -0.000 0.000 0.312 30 V C 0.172 176.289 176.094 0.039 0.000 1.061 30 V CA -0.862 61.473 62.300 0.059 0.000 0.931 30 V CB 2.372 34.229 31.823 0.057 0.000 1.010 30 V HN 0.211 nan 8.190 nan 0.000 0.433 31 V N 3.385 123.304 119.914 0.008 0.000 2.588 31 V HA 0.513 4.633 4.120 -0.000 0.000 0.304 31 V C -0.567 175.473 176.094 -0.090 0.000 1.042 31 V CA -0.571 61.706 62.300 -0.038 0.000 0.877 31 V CB 2.335 34.134 31.823 -0.039 0.000 0.996 31 V HN 0.642 nan 8.190 nan 0.000 0.425 32 V N 6.267 126.121 119.914 -0.101 0.000 2.370 32 V HA 0.480 4.600 4.120 -0.000 0.000 0.283 32 V C -0.275 175.726 176.094 -0.154 0.000 1.023 32 V CA -0.472 61.766 62.300 -0.104 0.000 0.857 32 V CB 1.553 33.335 31.823 -0.069 0.000 0.985 32 V HN 0.612 nan 8.190 nan 0.000 0.443 33 L N 4.522 125.640 121.223 -0.175 0.000 2.276 33 L HA 0.623 4.963 4.340 -0.000 0.000 0.286 33 L C -0.237 176.553 176.870 -0.133 0.000 1.024 33 L CA -0.373 54.347 54.840 -0.199 0.000 0.826 33 L CB 1.475 43.374 42.059 -0.266 0.000 1.211 33 L HN 0.602 nan 8.230 nan 0.000 0.422 34 E N 2.262 122.388 120.200 -0.124 0.000 2.187 34 E HA 0.513 4.863 4.350 -0.000 0.000 0.268 34 E C 0.240 176.737 176.600 -0.173 0.000 0.896 34 E CA -0.354 55.975 56.400 -0.119 0.000 0.766 34 E CB 2.110 31.762 29.700 -0.080 0.000 1.142 34 E HN 0.541 nan 8.360 nan 0.000 0.408 35 A N 5.245 127.898 122.820 -0.278 0.000 1.968 35 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 35 A C 1.066 178.418 177.584 -0.386 0.000 1.169 35 A CA 0.844 52.579 52.037 -0.503 0.000 0.638 35 A CB -0.103 18.189 19.000 -1.181 0.000 0.812 35 A HN 0.571 nan 8.150 nan 0.000 0.446 36 R N -0.125 120.232 120.500 -0.239 0.000 2.541 36 R HA 0.273 4.613 4.340 -0.000 0.000 0.263 36 R C 0.069 176.328 176.300 -0.068 0.000 1.112 36 R CA 0.126 56.161 56.100 -0.109 0.000 1.170 36 R CB 0.221 30.493 30.300 -0.046 0.000 1.167 36 R HN 0.409 nan 8.270 nan 0.000 0.582 37 D N 0.163 120.539 120.400 -0.039 0.000 2.319 37 D HA -0.020 4.620 4.640 -0.000 0.000 0.230 37 D C -0.157 176.138 176.300 -0.008 0.000 1.094 37 D CA 0.050 54.037 54.000 -0.023 0.000 0.856 37 D CB -0.028 40.764 40.800 -0.014 0.000 0.915 37 D HN 0.410 nan 8.370 nan 0.000 0.517 38 R N -1.238 119.258 120.500 -0.007 0.000 2.764 38 R HA 0.621 4.961 4.340 -0.000 0.000 0.270 38 R C -0.738 175.576 176.300 0.023 0.000 1.014 38 R CA -1.154 54.960 56.100 0.023 0.000 0.904 38 R CB 1.221 31.553 30.300 0.054 0.000 1.236 38 R HN -0.095 nan 8.270 nan 0.000 0.466 39 V N -1.792 118.146 119.914 0.041 0.000 3.109 39 V HA 0.878 4.998 4.120 -0.000 0.000 0.317 39 V C 0.871 177.016 176.094 0.084 0.000 1.074 39 V CA 0.337 62.661 62.300 0.040 0.000 1.033 39 V CB 0.862 32.695 31.823 0.018 0.000 1.111 39 V HN 1.186 nan 8.190 nan 0.000 0.458 40 G N -0.737 108.112 108.800 0.083 0.000 2.352 40 G HA2 0.163 4.123 3.960 -0.000 0.000 0.204 40 G HA3 0.163 4.123 3.960 -0.000 0.000 0.204 40 G C 1.517 176.500 174.900 0.139 0.000 1.004 40 G CA 0.716 45.885 45.100 0.114 0.000 0.648 40 G HN 2.536 nan 8.290 nan 0.000 0.491 41 G N 0.655 109.546 108.800 0.152 0.000 2.686 41 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.329 41 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.329 41 G C 1.012 176.065 174.900 0.254 0.000 1.187 41 G CA 1.578 46.787 45.100 0.181 0.000 0.965 41 G HN 1.150 nan 8.290 nan 0.000 0.549 42 R N 1.838 122.399 120.500 0.102 0.000 2.313 42 R HA 0.239 4.579 4.340 -0.000 0.000 0.199 42 R C 0.954 177.149 176.300 -0.176 0.000 0.958 42 R CA 0.970 56.962 56.100 -0.181 0.000 1.047 42 R CB -0.041 30.116 30.300 -0.238 0.000 0.955 42 R HN 0.689 nan 8.270 nan 0.000 0.481 43 T N -2.258 112.344 114.554 0.081 0.000 2.829 43 T HA 0.355 4.705 4.350 -0.000 0.000 0.282 43 T C -0.947 173.978 174.700 0.374 0.000 0.990 43 T CA -0.620 61.578 62.100 0.165 0.000 1.028 43 T CB 1.547 70.482 68.868 0.111 0.000 0.951 43 T HN 0.093 nan 8.240 nan 0.000 0.460 44 Y N 1.367 121.821 120.300 0.257 0.000 2.323 44 Y HA 0.433 4.983 4.550 -0.000 0.000 0.322 44 Y C -1.111 174.904 175.900 0.193 0.000 1.133 44 Y CA -0.865 57.383 58.100 0.247 0.000 1.093 44 Y CB 1.590 40.255 38.460 0.341 0.000 1.203 44 Y HN 0.871 nan 8.280 nan 0.000 0.427 45 T N 7.765 122.165 114.554 -0.257 0.000 2.743 45 T HA 0.410 4.760 4.350 -0.000 0.000 0.292 45 T C -0.833 173.537 174.700 -0.550 0.000 0.972 45 T CA -0.367 61.562 62.100 -0.285 0.000 0.967 45 T CB 0.576 69.395 68.868 -0.082 0.000 0.926 45 T HN 0.572 nan 8.240 nan 0.000 0.459 46 L N 4.590 125.516 121.223 -0.496 0.000 2.292 46 L HA 0.628 4.968 4.340 -0.000 0.000 0.284 46 L C -0.321 176.480 176.870 -0.114 0.000 1.065 46 L CA -0.223 54.410 54.840 -0.345 0.000 0.806 46 L CB 0.535 42.458 42.059 -0.226 0.000 1.175 46 L HN 0.443 nan 8.230 nan 0.000 0.431 47 R N 3.630 124.088 120.500 -0.069 0.000 2.437 47 R HA 0.626 4.966 4.340 -0.000 0.000 0.310 47 R C -1.058 175.222 176.300 -0.034 0.000 0.955 47 R CA -0.566 55.517 56.100 -0.029 0.000 0.851 47 R CB 1.250 31.545 30.300 -0.007 0.000 1.161 47 R HN 0.873 nan 8.270 nan 0.000 0.446 48 N N -1.167 117.496 118.700 -0.060 0.000 2.934 48 N HA 0.053 4.793 4.740 -0.000 0.000 0.253 48 N C -0.113 175.337 175.510 -0.099 0.000 1.466 48 N CA -0.964 52.046 53.050 -0.066 0.000 0.858 48 N CB 0.756 39.206 38.487 -0.063 0.000 1.459 48 N HN 0.312 nan 8.380 nan 0.000 0.532 49 Q N -0.317 119.432 119.800 -0.085 0.000 2.167 49 Q HA -0.037 4.303 4.340 -0.000 0.000 0.202 49 Q C 0.516 176.474 176.000 -0.071 0.000 0.970 49 Q CA 1.301 57.068 55.803 -0.059 0.000 0.855 49 Q CB 0.058 28.771 28.738 -0.041 0.000 0.911 49 Q HN 0.530 nan 8.270 nan 0.000 0.438 50 K N 0.013 120.285 120.400 -0.214 0.000 2.155 50 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 50 K C 2.015 178.441 176.600 -0.290 0.000 1.052 50 K CA 1.332 57.415 56.287 -0.340 0.000 0.948 50 K CB 0.055 32.038 32.500 -0.863 0.000 0.728 50 K HN 0.301 nan 8.250 nan 0.000 0.448 51 V N -2.541 117.154 119.914 -0.365 0.000 3.661 51 V HA 0.194 4.314 4.120 -0.000 0.000 0.271 51 V C 1.469 177.181 176.094 -0.636 0.000 1.315 51 V CA 0.609 62.640 62.300 -0.449 0.000 1.072 51 V CB 0.077 31.690 31.823 -0.350 0.000 0.830 51 V HN 0.280 nan 8.190 nan 0.000 0.443 52 K N 0.527 120.616 120.400 -0.518 0.000 11.134 52 K HA -0.310 4.010 4.320 -0.000 0.000 0.527 52 K C 0.142 176.638 176.600 -0.173 0.000 0.391 52 K CA 2.522 58.548 56.287 -0.435 0.000 1.928 52 K CB -1.430 30.592 32.500 -0.798 0.000 0.781 52 K HN 0.929 nan 8.250 nan 0.000 1.243 53 Y N -1.757 118.399 120.300 -0.240 0.000 2.534 53 Y HA 0.743 5.293 4.550 -0.000 0.000 0.345 53 Y C -1.160 174.698 175.900 -0.070 0.000 1.031 53 Y CA -0.768 57.253 58.100 -0.132 0.000 1.022 53 Y CB 2.075 40.477 38.460 -0.097 0.000 1.292 53 Y HN 0.016 nan 8.280 nan 0.000 0.459 54 V N 2.253 122.219 119.914 0.087 0.000 2.891 54 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 54 V C -1.648 174.498 176.094 0.088 0.000 1.171 54 V CA -0.626 61.726 62.300 0.087 0.000 0.943 54 V CB 2.077 33.969 31.823 0.114 0.000 1.037 54 V HN 0.927 nan 8.190 nan 0.000 0.427 55 D N 5.164 125.628 120.400 0.106 0.000 2.317 55 D HA 0.347 4.987 4.640 -0.000 0.000 0.252 55 D C 0.756 177.138 176.300 0.136 0.000 1.174 55 D CA 0.175 54.229 54.000 0.089 0.000 0.866 55 D CB 1.924 42.751 40.800 0.044 0.000 1.127 55 D HN 0.513 nan 8.370 nan 0.000 0.467 56 L N 1.393 122.752 121.223 0.227 0.000 2.590 56 L HA 0.248 4.588 4.340 -0.000 0.000 0.227 56 L C 1.443 178.718 176.870 0.674 0.000 1.099 56 L CA 0.030 55.106 54.840 0.394 0.000 0.872 56 L CB 0.440 42.736 42.059 0.395 0.000 1.088 56 L HN 0.346 nan 8.230 nan 0.000 0.479 57 G N -0.796 108.310 108.800 0.511 0.000 3.286 57 G HA2 0.417 4.377 3.960 -0.000 0.000 0.166 57 G HA3 0.417 4.377 3.960 -0.000 0.000 0.166 57 G C -0.171 174.748 174.900 0.032 0.000 1.155 57 G CA -0.049 45.159 45.100 0.179 0.000 0.871 57 G HN 0.064 nan 8.290 nan 0.000 0.637 58 G N -0.639 108.107 108.800 -0.089 0.000 2.287 58 G HA2 0.360 4.320 3.960 -0.000 0.000 0.235 58 G HA3 0.360 4.320 3.960 -0.000 0.000 0.235 58 G C 0.537 175.411 174.900 -0.042 0.000 1.258 58 G CA 0.975 46.032 45.100 -0.071 0.000 0.884 58 G HN 0.886 nan 8.290 nan 0.000 0.518 59 S N 1.332 116.955 115.700 -0.128 0.000 3.102 59 S HA 0.191 4.661 4.470 -0.000 0.000 0.265 59 S C 0.003 174.344 174.600 -0.433 0.000 1.072 59 S CA -0.294 57.721 58.200 -0.309 0.000 0.946 59 S CB 0.052 62.911 63.200 -0.568 0.000 0.901 59 S HN 0.497 nan 8.310 nan 0.000 0.437 60 Y N 2.718 122.968 120.300 -0.083 0.000 2.310 60 Y HA 0.583 5.133 4.550 -0.000 0.000 0.326 60 Y C 0.236 175.998 175.900 -0.229 0.000 1.151 60 Y CA -0.580 57.422 58.100 -0.163 0.000 1.195 60 Y CB 1.328 39.736 38.460 -0.087 0.000 1.210 60 Y HN 0.119 nan 8.280 nan 0.000 0.483 61 V N -0.357 119.431 119.914 -0.211 0.000 3.040 61 V HA 1.106 5.226 4.120 -0.000 0.000 0.312 61 V C -0.334 175.573 176.094 -0.311 0.000 1.115 61 V CA -0.561 61.543 62.300 -0.328 0.000 0.998 61 V CB 1.680 33.235 31.823 -0.447 0.000 1.042 61 V HN 0.946 nan 8.190 nan 0.000 0.433 62 G N 0.460 109.035 108.800 -0.376 0.000 2.663 62 G HA2 0.735 4.695 3.960 -0.000 0.000 0.299 62 G HA3 0.735 4.695 3.960 -0.000 0.000 0.299 62 G C -3.413 171.330 174.900 -0.261 0.000 1.372 62 G CA -1.211 43.719 45.100 -0.284 0.000 0.781 62 G HN 0.724 nan 8.290 nan 0.000 0.491 63 P HA 0.113 nan 4.420 nan 0.000 0.266 63 P C 0.779 178.059 177.300 -0.034 0.000 1.193 63 P CA 1.922 64.976 63.100 -0.075 0.000 0.770 63 P CB 0.887 32.570 31.700 -0.029 0.000 0.836 64 T N -1.712 112.853 114.554 0.017 0.000 7.013 64 T HA -0.255 4.095 4.350 -0.000 0.000 0.288 64 T C 0.346 175.060 174.700 0.023 0.000 2.146 64 T CA 1.004 63.185 62.100 0.135 0.000 3.498 64 T CB -2.673 66.401 68.868 0.343 0.000 1.517 64 T HN 0.589 nan 8.240 nan 0.000 1.113 65 Q N 1.468 121.113 119.800 -0.258 0.000 3.207 65 Q HA 0.342 4.682 4.340 -0.000 0.000 0.335 65 Q C 0.959 176.854 176.000 -0.175 0.000 1.374 65 Q CA -0.406 55.142 55.803 -0.424 0.000 1.023 65 Q CB 0.088 28.392 28.738 -0.724 0.000 1.576 65 Q HN 0.524 nan 8.270 nan 0.000 0.515 66 N N 0.775 119.442 118.700 -0.055 0.000 2.331 66 N HA -0.082 4.658 4.740 -0.000 0.000 0.180 66 N C 1.235 176.750 175.510 0.007 0.000 1.019 66 N CA 0.864 53.910 53.050 -0.006 0.000 0.881 66 N CB 0.246 38.755 38.487 0.035 0.000 0.972 66 N HN 0.370 nan 8.380 nan 0.000 0.435 67 R N 0.376 120.883 120.500 0.011 0.000 2.073 67 R HA 0.038 4.378 4.340 -0.000 0.000 0.229 67 R C 2.028 178.340 176.300 0.019 0.000 1.120 67 R CA 0.597 56.711 56.100 0.025 0.000 0.967 67 R CB -0.241 30.085 30.300 0.043 0.000 0.862 67 R HN 0.080 nan 8.270 nan 0.000 0.436 68 I N 1.029 121.604 120.570 0.009 0.000 2.315 68 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 68 I C 1.695 177.874 176.117 0.103 0.000 1.117 68 I CA 1.342 62.672 61.300 0.050 0.000 1.404 68 I CB -0.043 37.992 38.000 0.058 0.000 1.071 68 I HN 0.099 nan 8.210 nan 0.000 0.419 69 L N 0.198 121.464 121.223 0.071 0.000 2.046 69 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 69 L C 2.754 179.663 176.870 0.066 0.000 1.077 69 L CA 1.379 56.275 54.840 0.094 0.000 0.747 69 L CB -0.840 41.233 42.059 0.024 0.000 0.896 69 L HN 0.251 nan 8.230 nan 0.000 0.432 70 R N 0.744 121.264 120.500 0.035 0.000 2.066 70 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 70 R C 2.316 178.621 176.300 0.009 0.000 1.131 70 R CA 1.604 57.717 56.100 0.022 0.000 0.955 70 R CB -0.602 29.709 30.300 0.019 0.000 0.851 70 R HN 0.251 nan 8.270 nan 0.000 0.432 71 L N 1.210 122.435 121.223 0.002 0.000 2.012 71 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 71 L C 2.424 179.259 176.870 -0.059 0.000 1.073 71 L CA 2.377 57.203 54.840 -0.023 0.000 0.748 71 L CB -0.808 41.237 42.059 -0.024 0.000 0.891 71 L HN 0.242 nan 8.230 nan 0.000 0.431 72 A N -0.776 121.996 122.820 -0.079 0.000 1.902 72 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 72 A C 2.462 179.990 177.584 -0.093 0.000 1.181 72 A CA 1.895 53.821 52.037 -0.186 0.000 0.623 72 A CB -0.638 18.153 19.000 -0.349 0.000 0.818 72 A HN 0.499 nan 8.150 nan 0.000 0.443 73 K N -0.394 119.999 120.400 -0.011 0.000 2.032 73 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 73 K C 2.078 178.669 176.600 -0.015 0.000 1.048 73 K CA 1.728 58.018 56.287 0.004 0.000 0.927 73 K CB -0.182 32.333 32.500 0.025 0.000 0.712 73 K HN 0.637 nan 8.250 nan 0.000 0.441 74 E N 0.453 120.642 120.200 -0.019 0.000 2.160 74 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 74 E C 1.640 178.220 176.600 -0.033 0.000 0.991 74 E CA 0.822 57.210 56.400 -0.020 0.000 0.810 74 E CB 0.044 29.735 29.700 -0.015 0.000 0.742 74 E HN 0.335 nan 8.360 nan 0.000 0.466 75 L N -0.717 120.472 121.223 -0.057 0.000 2.599 75 L HA 0.156 4.496 4.340 -0.000 0.000 0.230 75 L C 1.299 178.127 176.870 -0.070 0.000 1.141 75 L CA 0.426 55.222 54.840 -0.073 0.000 0.877 75 L CB 0.184 42.177 42.059 -0.110 0.000 1.009 75 L HN 0.337 nan 8.230 nan 0.000 0.447 76 G N 0.542 109.310 108.800 -0.053 0.000 2.132 76 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.228 76 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.228 76 G C 0.010 174.884 174.900 -0.044 0.000 1.000 76 G CA -0.311 44.765 45.100 -0.039 0.000 0.693 76 G HN 0.204 nan 8.290 nan 0.000 0.515 77 L N -0.146 121.040 121.223 -0.062 0.000 2.379 77 L HA 0.682 5.022 4.340 -0.000 0.000 0.269 77 L C 0.633 177.539 176.870 0.061 0.000 1.084 77 L CA -0.738 54.072 54.840 -0.049 0.000 0.802 77 L CB 1.209 43.140 42.059 -0.213 0.000 1.175 77 L HN 0.153 nan 8.230 nan 0.000 0.448 78 E N 0.321 120.594 120.200 0.122 0.000 2.244 78 E HA 0.456 4.806 4.350 -0.000 0.000 0.266 78 E C -0.843 175.906 176.600 0.248 0.000 0.914 78 E CA -0.586 55.907 56.400 0.155 0.000 0.794 78 E CB 2.491 32.259 29.700 0.114 0.000 1.210 78 E HN 0.669 nan 8.360 nan 0.000 0.414 79 T N -1.188 113.468 114.554 0.170 0.000 2.949 79 T HA 0.637 4.987 4.350 -0.000 0.000 0.287 79 T C -0.744 174.044 174.700 0.148 0.000 1.034 79 T CA -0.702 61.442 62.100 0.072 0.000 1.018 79 T CB 0.801 69.596 68.868 -0.121 0.000 1.135 79 T HN 0.516 nan 8.240 nan 0.000 0.532 80 Y N -1.592 118.706 120.300 -0.004 0.000 2.588 80 Y HA 0.718 5.268 4.550 0.000 0.000 0.343 80 Y C -0.770 175.131 175.900 0.002 0.000 1.065 80 Y CA -1.542 56.566 58.100 0.014 0.000 1.038 80 Y CB 1.351 39.838 38.460 0.046 0.000 1.297 80 Y HN 0.637 nan 8.280 nan 0.000 0.467 81 K N 2.293 122.767 120.400 0.124 0.000 2.339 81 K HA 0.397 4.717 4.320 -0.000 0.000 0.286 81 K C -0.751 175.900 176.600 0.086 0.000 1.050 81 K CA -0.646 55.660 56.287 0.031 0.000 0.956 81 K CB 1.395 33.930 32.500 0.058 0.000 0.990 81 K HN 0.587 nan 8.250 nan 0.000 0.475 82 V N 3.364 123.269 119.914 -0.015 0.000 2.673 82 V HA -0.115 4.005 4.120 -0.000 0.000 0.303 82 V C 0.576 176.713 176.094 0.071 0.000 1.046 82 V CA -0.122 62.213 62.300 0.057 0.000 1.126 82 V CB 0.340 32.178 31.823 0.025 0.000 0.934 82 V HN 0.732 nan 8.190 nan 0.000 0.487 83 N N 3.837 122.600 118.700 0.105 0.000 2.438 83 N HA 0.031 4.771 4.740 -0.000 0.000 0.267 83 N C 0.234 175.764 175.510 0.032 0.000 1.222 83 N CA 0.463 53.563 53.050 0.083 0.000 0.930 83 N CB 0.276 38.836 38.487 0.121 0.000 1.083 83 N HN 0.813 nan 8.380 nan 0.000 0.476 84 E N 2.972 123.182 120.200 0.016 0.000 3.191 84 E HA 0.104 4.454 4.350 -0.000 0.000 0.192 84 E C 0.327 176.923 176.600 -0.006 0.000 0.972 84 E CA -0.036 56.356 56.400 -0.014 0.000 1.266 84 E CB 0.310 29.988 29.700 -0.037 0.000 1.076 84 E HN 0.454 nan 8.360 nan 0.000 0.462 85 V N 0.485 120.407 119.914 0.013 0.000 2.358 85 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 85 V C 0.977 177.076 176.094 0.009 0.000 1.047 85 V CA 1.596 63.903 62.300 0.012 0.000 1.035 85 V CB -0.143 31.689 31.823 0.016 0.000 0.658 85 V HN 0.240 nan 8.190 nan 0.000 0.452 86 E N -0.754 119.458 120.200 0.020 0.000 3.099 86 E HA 0.420 4.770 4.350 -0.000 0.000 0.259 86 E C 0.178 176.787 176.600 0.015 0.000 1.274 86 E CA -0.676 55.741 56.400 0.028 0.000 1.111 86 E CB 0.286 30.018 29.700 0.054 0.000 1.327 86 E HN 0.292 nan 8.360 nan 0.000 0.652 87 R N 0.224 120.758 120.500 0.056 0.000 2.441 87 R HA 0.314 4.654 4.340 -0.000 0.000 0.284 87 R C -0.526 175.724 176.300 -0.084 0.000 1.070 87 R CA -0.600 55.505 56.100 0.008 0.000 1.047 87 R CB 0.201 30.573 30.300 0.120 0.000 1.016 87 R HN 0.176 nan 8.270 nan 0.000 0.477 88 L N 2.698 123.692 121.223 -0.381 0.000 2.466 88 L HA 0.328 4.668 4.340 -0.000 0.000 0.257 88 L C 0.169 176.774 176.870 -0.441 0.000 1.189 88 L CA 0.344 54.838 54.840 -0.576 0.000 0.813 88 L CB 0.429 41.818 42.059 -1.117 0.000 1.118 88 L HN 0.464 nan 8.230 nan 0.000 0.471 89 I N 0.375 120.833 120.570 -0.187 0.000 2.465 89 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 89 I C -0.553 175.842 176.117 0.464 0.000 1.014 89 I CA -0.460 60.897 61.300 0.096 0.000 1.093 89 I CB 1.528 39.442 38.000 -0.144 0.000 1.267 89 I HN 0.529 nan 8.210 nan 0.000 0.431 90 H N 5.197 124.586 119.070 0.533 0.000 2.581 90 H HA 0.308 4.864 4.556 -0.000 0.000 0.308 90 H C -1.208 174.357 175.328 0.396 0.000 1.040 90 H CA -0.766 55.542 56.048 0.435 0.000 1.231 90 H CB 0.798 30.738 29.762 0.296 0.000 1.396 90 H HN 0.597 nan 8.280 nan 0.000 0.467 91 H N 4.362 123.579 119.070 0.246 0.000 2.594 91 H HA 0.369 4.925 4.556 -0.000 0.000 0.304 91 H C -1.309 174.027 175.328 0.013 0.000 1.068 91 H CA -0.325 55.790 56.048 0.111 0.000 1.308 91 H CB 0.612 30.435 29.762 0.101 0.000 1.409 91 H HN 0.294 nan 8.280 nan 0.000 0.460 92 V N 6.394 126.162 119.914 -0.244 0.000 2.623 92 V HA 0.174 4.294 4.120 -0.000 0.000 0.304 92 V C -0.489 175.533 176.094 -0.120 0.000 1.054 92 V CA -1.096 61.101 62.300 -0.172 0.000 0.882 92 V CB 1.665 33.309 31.823 -0.298 0.000 1.002 92 V HN 0.944 nan 8.190 nan 0.000 0.424 93 K N 4.181 124.543 120.400 -0.062 0.000 3.278 93 K HA -0.231 4.089 4.320 -0.000 0.000 0.270 93 K C 1.015 177.569 176.600 -0.076 0.000 0.955 93 K CA 0.862 57.132 56.287 -0.028 0.000 0.723 93 K CB -1.283 31.221 32.500 0.006 0.000 1.382 93 K HN 1.714 nan 8.250 nan 0.000 0.461 94 G N -0.028 108.686 108.800 -0.143 0.000 2.153 94 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.252 94 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.252 94 G C -0.059 174.696 174.900 -0.242 0.000 0.994 94 G CA 1.079 46.132 45.100 -0.078 0.000 0.698 94 G HN 0.466 nan 8.290 nan 0.000 0.521 95 K N -0.118 119.951 120.400 -0.552 0.000 2.469 95 K HA 0.613 4.933 4.320 -0.000 0.000 0.254 95 K C -0.631 175.624 176.600 -0.576 0.000 0.939 95 K CA -0.552 55.468 56.287 -0.445 0.000 0.812 95 K CB 1.436 33.728 32.500 -0.346 0.000 1.301 95 K HN 0.045 nan 8.250 nan 0.000 0.433 96 S N 2.233 117.737 115.700 -0.328 0.000 2.480 96 S HA 0.403 4.873 4.470 -0.000 0.000 0.286 96 S C -1.453 172.961 174.600 -0.311 0.000 1.180 96 S CA -0.407 57.731 58.200 -0.103 0.000 1.075 96 S CB 0.273 63.522 63.200 0.081 0.000 0.996 96 S HN 0.383 nan 8.310 nan 0.000 0.487 97 Y N 2.839 123.231 120.300 0.153 0.000 2.376 97 Y HA 0.362 4.912 4.550 -0.000 0.000 0.326 97 Y C -2.482 173.622 175.900 0.339 0.000 0.970 97 Y CA -2.529 55.703 58.100 0.221 0.000 1.248 97 Y CB 0.832 39.415 38.460 0.206 0.000 1.117 97 Y HN 0.449 nan 8.280 nan 0.000 0.476 98 P HA 0.216 nan 4.420 nan 0.000 0.271 98 P C -0.877 176.706 177.300 0.472 0.000 1.216 98 P CA 0.014 63.333 63.100 0.366 0.000 0.776 98 P CB 0.489 32.401 31.700 0.353 0.000 0.881 99 F N -0.302 119.769 119.950 0.202 0.000 2.711 99 F HA 0.709 5.236 4.527 -0.000 0.000 0.313 99 F C -0.989 174.887 175.800 0.127 0.000 1.141 99 F CA -1.357 56.746 58.000 0.172 0.000 0.941 99 F CB 1.515 40.617 39.000 0.170 0.000 1.349 99 F HN 0.031 nan 8.300 nan 0.000 0.464 100 R N 0.908 121.538 120.500 0.217 0.000 2.854 100 R HA 0.791 5.131 4.340 -0.000 0.000 0.271 100 R C -0.281 176.142 176.300 0.204 0.000 0.996 100 R CA -0.690 55.456 56.100 0.077 0.000 0.961 100 R CB 1.738 32.089 30.300 0.085 0.000 1.182 100 R HN 1.431 nan 8.270 nan 0.000 0.479 101 G N 1.365 110.224 108.800 0.099 0.000 2.710 101 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.668 101 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.668 101 G C -2.249 172.730 174.900 0.132 0.000 1.320 101 G CA -0.915 44.256 45.100 0.119 0.000 0.860 101 G HN 0.449 nan 8.290 nan 0.000 0.538 102 P HA 0.207 nan 4.420 nan 0.000 0.220 102 P C 0.515 177.698 177.300 -0.196 0.000 1.152 102 P CA 0.998 64.003 63.100 -0.160 0.000 0.812 102 P CB 0.169 31.637 31.700 -0.387 0.000 0.792 103 F N 0.113 120.091 119.950 0.047 0.000 2.495 103 F HA 0.412 4.939 4.527 -0.000 0.000 0.327 103 F C -2.124 173.470 175.800 -0.343 0.000 1.103 103 F CA -3.013 54.895 58.000 -0.153 0.000 0.949 103 F CB 1.488 40.331 39.000 -0.261 0.000 1.142 103 F HN -0.335 nan 8.300 nan 0.000 0.457 104 P HA 0.098 nan 4.420 nan 0.000 0.267 104 P C -2.472 174.516 177.300 -0.519 0.000 1.205 104 P CA -0.898 61.525 63.100 -1.127 0.000 0.765 104 P CB -0.093 31.070 31.700 -0.895 0.000 0.828 105 P HA 0.149 nan 4.420 nan 0.000 0.274 105 P C -1.013 176.072 177.300 -0.359 0.000 1.231 105 P CA -0.029 62.872 63.100 -0.333 0.000 0.790 105 P CB 0.770 32.317 31.700 -0.254 0.000 0.951 106 V N 2.244 121.907 119.914 -0.418 0.000 2.531 106 V HA 0.229 4.349 4.120 -0.000 0.000 0.301 106 V C 0.205 176.101 176.094 -0.331 0.000 1.034 106 V CA -0.224 61.874 62.300 -0.338 0.000 0.865 106 V CB 1.741 33.322 31.823 -0.403 0.000 0.995 106 V HN 0.693 nan 8.190 nan 0.000 0.424 107 W N 0.929 122.203 121.300 -0.045 0.000 2.630 107 W HA 0.196 4.856 4.660 -0.000 0.000 0.275 107 W C 1.407 177.914 176.519 -0.021 0.000 1.192 107 W CA -0.077 57.250 57.345 -0.029 0.000 1.410 107 W CB 0.310 29.746 29.460 -0.040 0.000 1.075 107 W HN 0.519 nan 8.180 nan 0.000 0.581 108 N N 2.056 120.870 118.700 0.191 0.000 2.411 108 N HA -0.051 4.689 4.740 -0.000 0.000 0.261 108 N C -1.807 173.769 175.510 0.110 0.000 1.248 108 N CA -0.301 52.821 53.050 0.121 0.000 0.885 108 N CB 1.388 39.925 38.487 0.084 0.000 1.062 108 N HN -0.121 nan 8.380 nan 0.000 0.471 109 P HA -0.055 nan 4.420 nan 0.000 0.217 109 P C 1.540 178.903 177.300 0.106 0.000 1.151 109 P CA 0.666 63.810 63.100 0.075 0.000 0.828 109 P CB 0.372 32.092 31.700 0.034 0.000 0.788 110 I N -0.568 120.050 120.570 0.079 0.000 2.202 110 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 110 I C 1.928 178.099 176.117 0.090 0.000 1.091 110 I CA 1.818 63.157 61.300 0.066 0.000 1.368 110 I CB -2.019 36.013 38.000 0.054 0.000 1.058 110 I HN 0.017 nan 8.210 nan 0.000 0.410 111 T N 0.485 115.101 114.554 0.103 0.000 2.720 111 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 111 T C 1.884 176.658 174.700 0.122 0.000 1.037 111 T CA 1.477 63.651 62.100 0.124 0.000 1.144 111 T CB -0.640 68.273 68.868 0.076 0.000 0.864 111 T HN 0.294 nan 8.240 nan 0.000 0.444 112 Y N 1.714 121.996 120.300 -0.030 0.000 2.128 112 Y HA -0.111 4.439 4.550 -0.000 0.000 0.284 112 Y C 2.060 177.956 175.900 -0.007 0.000 1.154 112 Y CA 1.177 59.239 58.100 -0.063 0.000 1.149 112 Y CB -0.454 37.948 38.460 -0.097 0.000 0.976 112 Y HN 0.116 nan 8.280 nan 0.000 0.505 113 L N -0.314 120.997 121.223 0.147 0.000 2.046 113 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 113 L C 2.195 179.046 176.870 -0.030 0.000 1.077 113 L CA 1.791 56.661 54.840 0.050 0.000 0.747 113 L CB -0.660 41.423 42.059 0.040 0.000 0.896 113 L HN 0.209 nan 8.230 nan 0.000 0.432 114 D N -0.892 119.514 120.400 0.009 0.000 2.117 114 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 114 D C 2.188 178.461 176.300 -0.046 0.000 0.987 114 D CA 1.284 55.287 54.000 0.005 0.000 0.829 114 D CB 0.055 40.893 40.800 0.064 0.000 0.961 114 D HN 0.306 nan 8.370 nan 0.000 0.460 115 H N -0.386 118.588 119.070 -0.159 0.000 2.326 115 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 115 H C 2.140 177.360 175.328 -0.181 0.000 1.081 115 H CA 1.119 57.054 56.048 -0.189 0.000 1.334 115 H CB -0.091 29.567 29.762 -0.174 0.000 1.385 115 H HN 0.276 nan 8.280 nan 0.000 0.504 116 N N 1.082 119.678 118.700 -0.173 0.000 2.069 116 N HA -0.175 4.564 4.740 -0.000 0.000 0.191 116 N C 1.829 177.264 175.510 -0.124 0.000 1.031 116 N CA 0.824 53.748 53.050 -0.210 0.000 0.852 116 N CB -0.168 38.120 38.487 -0.332 0.000 1.018 116 N HN 0.395 nan 8.380 nan 0.000 0.423 117 N N 0.013 118.644 118.700 -0.115 0.000 2.188 117 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 117 N C 1.874 177.306 175.510 -0.131 0.000 1.018 117 N CA 0.643 53.629 53.050 -0.107 0.000 0.858 117 N CB -0.281 38.157 38.487 -0.082 0.000 0.989 117 N HN 0.227 nan 8.380 nan 0.000 0.426 118 F N 0.708 120.471 119.950 -0.311 0.000 2.075 118 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 118 F C 1.754 177.304 175.800 -0.416 0.000 1.113 118 F CA 1.696 59.431 58.000 -0.443 0.000 1.218 118 F CB -0.828 37.742 39.000 -0.718 0.000 0.984 118 F HN 0.069 nan 8.300 nan 0.000 0.472 119 W N 0.510 121.582 121.300 -0.381 0.000 2.388 119 W HA -0.077 4.583 4.660 -0.000 0.000 0.294 119 W C 2.797 179.075 176.519 -0.402 0.000 1.212 119 W CA 1.236 58.297 57.345 -0.473 0.000 1.271 119 W CB -0.588 28.648 29.460 -0.373 0.000 1.126 119 W HN -0.073 nan 8.180 nan 0.000 0.535 120 R N 0.168 120.601 120.500 -0.111 0.000 2.081 120 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 120 R C 1.930 178.122 176.300 -0.180 0.000 1.131 120 R CA 2.071 58.089 56.100 -0.136 0.000 0.960 120 R CB -0.656 29.562 30.300 -0.136 0.000 0.856 120 R HN 0.019 nan 8.270 nan 0.000 0.436 121 T N 1.364 115.775 114.554 -0.238 0.000 2.746 121 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 121 T C 1.862 176.391 174.700 -0.286 0.000 1.039 121 T CA 1.435 63.393 62.100 -0.237 0.000 1.142 121 T CB -0.062 68.669 68.868 -0.227 0.000 0.866 121 T HN 0.184 nan 8.240 nan 0.000 0.444 122 M N 1.447 120.802 119.600 -0.409 0.000 2.082 122 M HA -0.140 4.340 4.480 -0.000 0.000 0.258 122 M C 1.881 178.054 176.300 -0.211 0.000 1.069 122 M CA 1.628 56.721 55.300 -0.345 0.000 1.102 122 M CB -0.984 31.375 32.600 -0.401 0.000 1.336 122 M HN 0.198 nan 8.290 nan 0.000 0.404 123 D N 0.373 120.671 120.400 -0.170 0.000 2.149 123 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 123 D C 1.600 177.833 176.300 -0.110 0.000 0.972 123 D CA 1.020 54.944 54.000 -0.127 0.000 0.835 123 D CB -0.339 40.399 40.800 -0.103 0.000 0.966 123 D HN 0.300 nan 8.370 nan 0.000 0.476 124 D N 0.245 120.578 120.400 -0.111 0.000 2.117 124 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 124 D C 2.169 178.453 176.300 -0.028 0.000 0.987 124 D CA 0.750 54.707 54.000 -0.071 0.000 0.829 124 D CB -0.221 40.537 40.800 -0.071 0.000 0.961 124 D HN 0.245 nan 8.370 nan 0.000 0.460 125 M N 0.200 119.753 119.600 -0.079 0.000 2.175 125 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 125 M C 2.305 178.632 176.300 0.045 0.000 1.063 125 M CA 1.524 56.791 55.300 -0.055 0.000 1.119 125 M CB -0.336 31.978 32.600 -0.477 0.000 1.377 125 M HN 0.022 nan 8.290 nan 0.000 0.415 126 G N -0.039 108.729 108.800 -0.053 0.000 2.450 126 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 126 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 126 G C 1.616 176.504 174.900 -0.019 0.000 1.130 126 G CA 0.642 45.715 45.100 -0.044 0.000 0.760 126 G HN 0.375 nan 8.290 nan 0.000 0.557 127 R N -0.021 120.466 120.500 -0.022 0.000 2.241 127 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 127 R C 1.675 177.977 176.300 0.004 0.000 1.101 127 R CA 0.828 56.912 56.100 -0.027 0.000 0.995 127 R CB 0.106 30.386 30.300 -0.033 0.000 0.870 127 R HN 0.234 nan 8.270 nan 0.000 0.463 128 E N -0.091 120.151 120.200 0.069 0.000 2.479 128 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 128 E C -0.078 176.548 176.600 0.045 0.000 1.049 128 E CA 0.338 56.777 56.400 0.065 0.000 0.870 128 E CB 0.475 30.250 29.700 0.125 0.000 0.944 128 E HN 0.313 nan 8.360 nan 0.000 0.492 129 I N 2.688 123.297 120.570 0.065 0.000 2.355 129 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 129 I C -2.420 173.691 176.117 -0.010 0.000 0.999 129 I CA -2.398 58.934 61.300 0.053 0.000 1.163 129 I CB 1.580 39.675 38.000 0.158 0.000 1.316 129 I HN -0.330 nan 8.210 nan 0.000 0.454 130 P HA 0.145 nan 4.420 nan 0.000 0.271 130 P C 0.458 177.720 177.300 -0.064 0.000 1.220 130 P CA 0.072 63.100 63.100 -0.121 0.000 0.768 130 P CB 1.001 32.578 31.700 -0.205 0.000 0.848 131 S N 2.128 117.805 115.700 -0.037 0.000 2.370 131 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 131 S C 1.330 176.006 174.600 0.127 0.000 1.033 131 S CA 1.881 60.133 58.200 0.088 0.000 1.011 131 S CB -0.636 62.526 63.200 -0.063 0.000 0.852 131 S HN 0.682 nan 8.310 nan 0.000 0.457 132 D N 0.602 120.941 120.400 -0.102 0.000 2.355 132 D HA 0.196 4.836 4.640 -0.000 0.000 0.218 132 D C 0.341 176.423 176.300 -0.363 0.000 1.004 132 D CA 0.486 54.381 54.000 -0.176 0.000 0.880 132 D CB 0.065 40.695 40.800 -0.283 0.000 0.911 132 D HN 0.294 nan 8.370 nan 0.000 0.528 133 A N 1.063 123.519 122.820 -0.607 0.000 3.277 133 A HA 0.370 4.690 4.320 -0.000 0.000 0.281 133 A C -2.133 174.667 177.584 -1.306 0.000 1.179 133 A CA -0.825 50.409 52.037 -1.339 0.000 0.879 133 A CB 1.031 19.516 19.000 -0.858 0.000 1.374 133 A HN -0.126 nan 8.150 nan 0.000 0.590 134 P HA -0.180 nan 4.420 nan 0.000 0.216 134 P C 1.252 178.318 177.300 -0.389 0.000 1.150 134 P CA 1.571 64.322 63.100 -0.583 0.000 0.837 134 P CB -0.321 31.009 31.700 -0.615 0.000 0.786 135 W N 0.748 121.974 121.300 -0.123 0.000 2.632 135 W HA 0.106 4.766 4.660 -0.000 0.000 0.248 135 W C 1.309 177.783 176.519 -0.074 0.000 1.259 135 W CA 0.356 57.651 57.345 -0.083 0.000 1.288 135 W CB -1.455 27.953 29.460 -0.087 0.000 1.136 135 W HN -0.092 nan 8.180 nan 0.000 0.640 136 K N 0.761 120.965 120.400 -0.327 0.000 2.404 136 K HA 0.311 4.631 4.320 -0.000 0.000 0.194 136 K C 0.997 177.507 176.600 -0.151 0.000 1.023 136 K CA 0.138 56.320 56.287 -0.176 0.000 1.094 136 K CB 0.007 32.362 32.500 -0.241 0.000 0.841 136 K HN 0.100 nan 8.250 nan 0.000 0.523 137 A N 2.278 125.005 122.820 -0.154 0.000 2.531 137 A HA 0.072 4.392 4.320 -0.000 0.000 0.236 137 A C -1.639 175.822 177.584 -0.206 0.000 1.062 137 A CA -0.963 50.981 52.037 -0.156 0.000 0.760 137 A CB 0.075 19.005 19.000 -0.117 0.000 0.995 137 A HN -0.004 nan 8.150 nan 0.000 0.501 138 P HA -0.143 nan 4.420 nan 0.000 0.216 138 P C 0.557 177.664 177.300 -0.322 0.000 1.153 138 P CA 1.280 64.241 63.100 -0.230 0.000 0.858 138 P CB 0.029 31.605 31.700 -0.207 0.000 0.789 139 L N -2.178 118.692 121.223 -0.587 0.000 2.928 139 L HA 0.348 4.688 4.340 -0.000 0.000 0.246 139 L C 1.894 178.367 176.870 -0.662 0.000 1.239 139 L CA -0.284 54.109 54.840 -0.745 0.000 1.035 139 L CB -0.599 40.735 42.059 -1.208 0.000 1.360 139 L HN -0.100 nan 8.230 nan 0.000 0.529 140 A N 0.752 123.366 122.820 -0.344 0.000 1.884 140 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 140 A C 2.214 179.799 177.584 0.001 0.000 1.197 140 A CA 1.875 53.850 52.037 -0.102 0.000 0.637 140 A CB -0.206 18.785 19.000 -0.015 0.000 0.827 140 A HN 0.514 nan 8.150 nan 0.000 0.450 141 E N -0.952 119.234 120.200 -0.024 0.000 2.072 141 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 141 E C 2.115 178.750 176.600 0.058 0.000 0.985 141 E CA 1.127 57.545 56.400 0.030 0.000 0.801 141 E CB -0.283 29.421 29.700 0.007 0.000 0.750 141 E HN 0.828 nan 8.360 nan 0.000 0.452 142 E N 0.129 120.332 120.200 0.006 0.000 2.058 142 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 142 E C 1.709 178.467 176.600 0.263 0.000 0.997 142 E CA 1.113 57.561 56.400 0.080 0.000 0.801 142 E CB 0.018 29.722 29.700 0.007 0.000 0.746 142 E HN 0.287 nan 8.360 nan 0.000 0.450 143 W N 0.825 122.169 121.300 0.072 0.000 2.518 143 W HA -0.013 4.647 4.660 -0.000 0.000 0.273 143 W C 1.864 178.457 176.519 0.123 0.000 1.247 143 W CA 0.579 57.979 57.345 0.093 0.000 1.288 143 W CB -0.865 28.650 29.460 0.091 0.000 1.107 143 W HN 0.204 nan 8.180 nan 0.000 0.586 144 D N -0.295 120.305 120.400 0.332 0.000 2.277 144 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 144 D C 1.209 177.638 176.300 0.215 0.000 0.962 144 D CA 0.912 55.073 54.000 0.269 0.000 0.865 144 D CB -0.184 40.751 40.800 0.225 0.000 0.939 144 D HN -0.126 nan 8.370 nan 0.000 0.510 145 N N -0.224 118.586 118.700 0.183 0.000 2.370 145 N HA 0.093 4.833 4.740 -0.000 0.000 0.198 145 N C -0.274 175.318 175.510 0.137 0.000 1.156 145 N CA 0.146 53.280 53.050 0.140 0.000 0.839 145 N CB 0.251 38.803 38.487 0.108 0.000 0.989 145 N HN 0.315 nan 8.380 nan 0.000 0.468 146 M N 0.216 119.915 119.600 0.165 0.000 2.464 146 M HA 0.206 4.686 4.480 -0.000 0.000 0.308 146 M C -0.267 176.118 176.300 0.142 0.000 1.127 146 M CA -0.588 54.796 55.300 0.141 0.000 0.913 146 M CB 1.945 34.640 32.600 0.157 0.000 1.689 146 M HN 0.006 nan 8.290 nan 0.000 0.445 147 T N 0.493 115.112 114.554 0.108 0.000 2.849 147 T HA 0.234 4.584 4.350 -0.000 0.000 0.284 147 T C 1.103 175.846 174.700 0.071 0.000 1.004 147 T CA -0.838 61.321 62.100 0.099 0.000 1.021 147 T CB 0.871 69.788 68.868 0.082 0.000 1.013 147 T HN 0.672 nan 8.240 nan 0.000 0.527 148 M N 0.319 119.944 119.600 0.042 0.000 2.213 148 M HA 0.007 4.487 4.480 -0.000 0.000 0.263 148 M C 2.139 178.419 176.300 -0.033 0.000 1.062 148 M CA 1.530 56.821 55.300 -0.015 0.000 1.105 148 M CB -1.403 31.109 32.600 -0.146 0.000 1.385 148 M HN 0.894 nan 8.290 nan 0.000 0.417 149 K N 0.721 121.107 120.400 -0.023 0.000 2.026 149 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 149 K C 1.694 178.283 176.600 -0.018 0.000 1.048 149 K CA 1.731 58.008 56.287 -0.018 0.000 0.929 149 K CB -0.108 32.411 32.500 0.032 0.000 0.713 149 K HN 0.369 nan 8.250 nan 0.000 0.439 150 E N 0.112 120.314 120.200 0.004 0.000 2.085 150 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 150 E C 1.985 178.583 176.600 -0.004 0.000 0.994 150 E CA 1.308 57.709 56.400 0.002 0.000 0.801 150 E CB -0.198 29.519 29.700 0.028 0.000 0.743 150 E HN 0.228 nan 8.360 nan 0.000 0.453 151 L N 1.050 122.275 121.223 0.004 0.000 2.046 151 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 151 L C 2.070 178.941 176.870 0.002 0.000 1.077 151 L CA 1.537 56.377 54.840 -0.001 0.000 0.747 151 L CB -0.310 41.743 42.059 -0.009 0.000 0.896 151 L HN 0.129 nan 8.230 nan 0.000 0.432 152 L N -0.904 120.311 121.223 -0.013 0.000 2.046 152 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 152 L C 2.212 179.025 176.870 -0.096 0.000 1.077 152 L CA 1.279 56.080 54.840 -0.064 0.000 0.747 152 L CB -0.937 41.042 42.059 -0.134 0.000 0.896 152 L HN 0.276 nan 8.230 nan 0.000 0.432 153 D N 0.330 120.677 120.400 -0.088 0.000 2.144 153 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 153 D C 2.210 178.427 176.300 -0.139 0.000 0.984 153 D CA 1.219 55.150 54.000 -0.115 0.000 0.834 153 D CB 0.021 40.764 40.800 -0.094 0.000 0.955 153 D HN 0.275 nan 8.370 nan 0.000 0.465 154 K N -0.204 120.146 120.400 -0.083 0.000 2.076 154 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 154 K C 2.224 178.816 176.600 -0.013 0.000 1.051 154 K CA 0.421 56.669 56.287 -0.064 0.000 0.949 154 K CB 0.123 32.618 32.500 -0.007 0.000 0.726 154 K HN 0.102 nan 8.250 nan 0.000 0.443 155 L N 0.347 121.587 121.223 0.028 0.000 2.127 155 L HA -0.025 4.315 4.340 -0.000 0.000 0.203 155 L C 0.708 177.686 176.870 0.180 0.000 1.080 155 L CA 0.141 55.056 54.840 0.124 0.000 0.768 155 L CB 0.109 42.247 42.059 0.131 0.000 0.924 155 L HN 0.128 nan 8.230 nan 0.000 0.444 156 C N -0.113 119.200 119.300 0.022 0.000 2.349 156 C HA 0.069 4.529 4.460 -0.000 0.000 0.348 156 C C 0.876 175.875 174.990 0.015 0.000 1.223 156 C CA -0.951 58.058 59.018 -0.015 0.000 1.746 156 C CB -1.024 26.588 27.740 -0.213 0.000 2.360 156 C HN 0.472 nan 8.230 nan 0.000 0.533 157 W N 1.853 123.104 121.300 -0.082 0.000 3.003 157 W HA 0.117 4.777 4.660 -0.000 0.000 0.257 157 W C 1.417 177.908 176.519 -0.045 0.000 1.308 157 W CA 0.136 57.450 57.345 -0.051 0.000 1.529 157 W CB -0.207 29.234 29.460 -0.031 0.000 1.115 157 W HN 0.662 nan 8.180 nan 0.000 0.659 158 T N -3.449 111.174 114.554 0.115 0.000 2.885 158 T HA 0.297 4.647 4.350 -0.000 0.000 0.285 158 T C 0.823 175.516 174.700 -0.011 0.000 1.019 158 T CA -0.650 61.487 62.100 0.061 0.000 1.010 158 T CB 2.596 71.519 68.868 0.093 0.000 1.022 158 T HN -0.215 nan 8.240 nan 0.000 0.466 159 E N 0.995 121.193 120.200 -0.004 0.000 2.150 159 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 159 E C 2.152 178.742 176.600 -0.017 0.000 0.985 159 E CA 1.180 57.565 56.400 -0.025 0.000 0.814 159 E CB -0.311 29.383 29.700 -0.009 0.000 0.752 159 E HN 0.747 nan 8.360 nan 0.000 0.466 160 S N 0.615 116.337 115.700 0.037 0.000 2.359 160 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 160 S C 2.098 176.736 174.600 0.062 0.000 1.035 160 S CA 1.492 59.761 58.200 0.115 0.000 1.018 160 S CB -0.049 63.268 63.200 0.195 0.000 0.876 160 S HN 0.275 nan 8.310 nan 0.000 0.448 161 A N 1.249 123.981 122.820 -0.148 0.000 1.898 161 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 161 A C 2.231 179.473 177.584 -0.570 0.000 1.181 161 A CA 1.562 53.179 52.037 -0.701 0.000 0.620 161 A CB -0.693 17.880 19.000 -0.712 0.000 0.819 161 A HN 0.593 nan 8.150 nan 0.000 0.442 162 K N -0.569 119.613 120.400 -0.363 0.000 2.057 162 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 162 K C 2.340 178.804 176.600 -0.226 0.000 1.049 162 K CA 1.710 57.803 56.287 -0.322 0.000 0.931 162 K CB -0.203 32.175 32.500 -0.203 0.000 0.714 162 K HN 0.631 nan 8.250 nan 0.000 0.440 163 Q N 0.266 119.995 119.800 -0.119 0.000 2.030 163 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 163 Q C 2.164 178.168 176.000 0.006 0.000 0.986 163 Q CA 1.535 57.324 55.803 -0.024 0.000 0.843 163 Q CB -0.139 28.624 28.738 0.041 0.000 0.904 163 Q HN 0.195 nan 8.270 nan 0.000 0.420 164 L N 0.314 121.534 121.223 -0.005 0.000 2.093 164 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 164 L C 2.118 179.006 176.870 0.030 0.000 1.085 164 L CA 1.867 56.760 54.840 0.088 0.000 0.755 164 L CB -0.689 41.473 42.059 0.171 0.000 0.904 164 L HN 0.124 nan 8.230 nan 0.000 0.435 165 A N -1.767 120.860 122.820 -0.321 0.000 1.933 165 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 165 A C 2.255 179.808 177.584 -0.051 0.000 1.175 165 A CA 2.185 53.966 52.037 -0.426 0.000 0.628 165 A CB -1.058 17.202 19.000 -1.233 0.000 0.814 165 A HN 0.485 nan 8.150 nan 0.000 0.444 166 T N 0.038 114.537 114.554 -0.092 0.000 2.737 166 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 166 T C 1.881 176.599 174.700 0.030 0.000 1.038 166 T CA 1.339 63.410 62.100 -0.049 0.000 1.144 166 T CB -0.398 68.441 68.868 -0.048 0.000 0.866 166 T HN 0.413 nan 8.240 nan 0.000 0.434 167 L N 0.378 121.665 121.223 0.107 0.000 2.042 167 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 167 L C 2.234 179.227 176.870 0.204 0.000 1.076 167 L CA 1.618 56.555 54.840 0.162 0.000 0.749 167 L CB -0.433 41.758 42.059 0.220 0.000 0.893 167 L HN 0.228 nan 8.230 nan 0.000 0.432 168 F N -0.221 119.818 119.950 0.148 0.000 2.091 168 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 168 F C 2.069 177.990 175.800 0.202 0.000 1.103 168 F CA 2.173 60.319 58.000 0.245 0.000 1.228 168 F CB -0.701 38.584 39.000 0.476 0.000 0.984 168 F HN -0.105 nan 8.300 nan 0.000 0.477 169 V N 1.021 120.861 119.914 -0.123 0.000 2.295 169 V HA -0.339 3.781 4.120 -0.000 0.000 0.246 169 V C 2.047 177.988 176.094 -0.254 0.000 1.049 169 V CA 2.415 64.448 62.300 -0.444 0.000 1.024 169 V CB -1.057 30.403 31.823 -0.605 0.000 0.648 169 V HN 0.413 nan 8.190 nan 0.000 0.447 170 N N 0.069 118.682 118.700 -0.146 0.000 2.104 170 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 170 N C 1.743 177.194 175.510 -0.098 0.000 1.024 170 N CA 1.339 54.322 53.050 -0.111 0.000 0.853 170 N CB -0.206 38.263 38.487 -0.030 0.000 1.008 170 N HN 0.326 nan 8.380 nan 0.000 0.424 171 L N 0.721 121.919 121.223 -0.041 0.000 2.072 171 L HA -0.005 4.335 4.340 -0.000 0.000 0.205 171 L C 1.979 178.865 176.870 0.028 0.000 1.079 171 L CA 1.425 56.259 54.840 -0.010 0.000 0.752 171 L CB -0.493 41.562 42.059 -0.006 0.000 0.906 171 L HN 0.227 nan 8.230 nan 0.000 0.436 172 C N -1.394 117.892 119.300 -0.024 0.000 2.440 172 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 172 C C 2.222 177.294 174.990 0.136 0.000 1.295 172 C CA 0.902 59.968 59.018 0.080 0.000 1.738 172 C CB -0.599 27.108 27.740 -0.055 0.000 1.987 172 C HN 0.563 nan 8.230 nan 0.000 0.492 173 V N -2.018 117.879 119.914 -0.028 0.000 3.252 173 V HA 0.292 4.412 4.120 -0.000 0.000 0.320 173 V C 0.779 176.721 176.094 -0.252 0.000 1.459 173 V CA 0.773 63.019 62.300 -0.090 0.000 1.095 173 V CB -1.373 30.516 31.823 0.109 0.000 0.997 173 V HN 0.514 nan 8.190 nan 0.000 0.469 174 T N -1.308 113.008 114.554 -0.396 0.000 3.760 174 T HA -0.107 4.243 4.350 -0.000 0.000 0.366 174 T C 0.169 174.688 174.700 -0.301 0.000 0.761 174 T CA 1.299 63.155 62.100 -0.407 0.000 1.887 174 T CB -2.589 65.912 68.868 -0.611 0.000 1.811 174 T HN 2.389 nan 8.240 nan 0.000 0.749 175 A N -0.285 122.341 122.820 -0.324 0.000 2.566 175 A HA 0.732 5.052 4.320 -0.000 0.000 0.292 175 A C -0.316 177.038 177.584 -0.383 0.000 1.112 175 A CA -1.063 50.700 52.037 -0.457 0.000 0.707 175 A CB 1.244 19.718 19.000 -0.877 0.000 1.302 175 A HN 0.347 nan 8.150 nan 0.000 0.409 176 E N 0.565 120.500 120.200 -0.443 0.000 2.373 176 E HA 0.213 4.563 4.350 -0.000 0.000 0.263 176 E C 1.258 177.559 176.600 -0.497 0.000 1.073 176 E CA 0.565 56.682 56.400 -0.472 0.000 0.894 176 E CB 0.840 30.079 29.700 -0.768 0.000 1.008 176 E HN 0.807 nan 8.360 nan 0.000 0.420 177 T N -1.144 113.198 114.554 -0.353 0.000 2.803 177 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 177 T C 1.462 176.051 174.700 -0.185 0.000 1.052 177 T CA 1.760 63.707 62.100 -0.256 0.000 1.136 177 T CB -0.401 68.370 68.868 -0.162 0.000 0.864 177 T HN 0.633 nan 8.240 nan 0.000 0.467 178 H N 0.610 119.623 119.070 -0.095 0.000 2.547 178 H HA 0.249 4.805 4.556 -0.000 0.000 0.272 178 H C 1.508 176.809 175.328 -0.045 0.000 0.989 178 H CA 0.838 56.850 56.048 -0.060 0.000 1.214 178 H CB -0.209 29.517 29.762 -0.060 0.000 1.389 178 H HN 0.504 nan 8.280 nan 0.000 0.577 179 E N 1.386 121.389 120.200 -0.329 0.000 2.299 179 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 179 E C 0.777 177.347 176.600 -0.050 0.000 0.998 179 E CA 0.447 56.741 56.400 -0.176 0.000 0.851 179 E CB 0.765 30.227 29.700 -0.395 0.000 0.795 179 E HN 0.368 nan 8.360 nan 0.000 0.492 180 V N -1.136 118.740 119.914 -0.064 0.000 2.667 180 V HA 0.425 4.545 4.120 -0.000 0.000 0.308 180 V C -0.043 176.185 176.094 0.223 0.000 1.048 180 V CA -1.181 61.183 62.300 0.107 0.000 0.928 180 V CB 1.867 33.782 31.823 0.153 0.000 1.004 180 V HN -0.033 nan 8.190 nan 0.000 0.444 181 S N 3.339 119.247 115.700 0.347 0.000 2.549 181 S HA 0.465 4.935 4.470 -0.000 0.000 0.283 181 S C 1.437 176.292 174.600 0.425 0.000 1.320 181 S CA 0.176 58.597 58.200 0.369 0.000 1.058 181 S CB 0.961 64.412 63.200 0.418 0.000 0.882 181 S HN 1.780 nan 8.310 nan 0.000 0.498 182 A N 4.903 127.905 122.820 0.303 0.000 1.902 182 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 182 A C 2.031 179.795 177.584 0.300 0.000 1.181 182 A CA 1.665 53.854 52.037 0.253 0.000 0.623 182 A CB -0.959 18.117 19.000 0.127 0.000 0.818 182 A HN 0.993 nan 8.150 nan 0.000 0.443 183 L N -1.485 119.959 121.223 0.367 0.000 2.012 183 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 183 L C 2.244 179.352 176.870 0.397 0.000 1.073 183 L CA 2.581 57.666 54.840 0.408 0.000 0.748 183 L CB -0.718 41.588 42.059 0.411 0.000 0.891 183 L HN 0.660 nan 8.230 nan 0.000 0.431 184 W N -0.608 120.864 121.300 0.286 0.000 2.358 184 W HA -0.276 4.384 4.660 -0.000 0.000 0.303 184 W C 2.307 179.104 176.519 0.464 0.000 1.208 184 W CA 1.847 59.384 57.345 0.320 0.000 1.274 184 W CB -0.618 29.008 29.460 0.277 0.000 1.138 184 W HN 0.285 nan 8.180 nan 0.000 0.515 185 F N 0.668 120.696 119.950 0.130 0.000 2.186 185 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 185 F C 1.993 177.725 175.800 -0.114 0.000 1.090 185 F CA 1.938 59.826 58.000 -0.187 0.000 1.307 185 F CB -0.540 38.488 39.000 0.046 0.000 1.019 185 F HN -0.173 nan 8.300 nan 0.000 0.489 186 L N -1.431 119.801 121.223 0.015 0.000 2.156 186 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 186 L C 2.221 179.017 176.870 -0.124 0.000 1.095 186 L CA 1.304 56.090 54.840 -0.089 0.000 0.770 186 L CB -0.927 41.102 42.059 -0.050 0.000 0.914 186 L HN 0.417 nan 8.230 nan 0.000 0.439 187 W N 0.023 121.198 121.300 -0.209 0.000 2.355 187 W HA -0.303 4.357 4.660 -0.000 0.000 0.309 187 W C 2.588 178.892 176.519 -0.358 0.000 1.206 187 W CA 1.447 58.650 57.345 -0.238 0.000 1.284 187 W CB -0.594 28.755 29.460 -0.187 0.000 1.145 187 W HN 0.113 nan 8.180 nan 0.000 0.502 188 Y N 0.625 120.453 120.300 -0.788 0.000 2.165 188 Y HA -0.288 4.262 4.550 -0.000 0.000 0.286 188 Y C 2.333 177.669 175.900 -0.940 0.000 1.155 188 Y CA 2.950 60.373 58.100 -1.129 0.000 1.164 188 Y CB -0.692 37.074 38.460 -1.156 0.000 0.978 188 Y HN -0.132 nan 8.280 nan 0.000 0.513 189 V N 0.651 120.146 119.914 -0.699 0.000 2.323 189 V HA -0.275 3.845 4.120 -0.000 0.000 0.244 189 V C 2.277 178.046 176.094 -0.542 0.000 1.041 189 V CA 2.159 64.132 62.300 -0.545 0.000 1.025 189 V CB -0.761 30.834 31.823 -0.380 0.000 0.656 189 V HN 0.371 nan 8.190 nan 0.000 0.451 190 K N 2.250 122.348 120.400 -0.503 0.000 2.063 190 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 190 K C 1.939 178.205 176.600 -0.558 0.000 1.048 190 K CA 2.320 58.346 56.287 -0.435 0.000 0.928 190 K CB -0.576 31.739 32.500 -0.308 0.000 0.713 190 K HN 0.614 nan 8.250 nan 0.000 0.442 191 Q N -0.740 118.579 119.800 -0.801 0.000 2.482 191 Q HA 0.073 4.413 4.340 -0.000 0.000 0.209 191 Q C 1.084 176.589 176.000 -0.825 0.000 0.961 191 Q CA 1.018 56.351 55.803 -0.784 0.000 0.945 191 Q CB -0.405 27.703 28.738 -1.050 0.000 1.012 191 Q HN 0.316 nan 8.270 nan 0.000 0.515 192 C N 0.062 118.737 119.300 -1.043 0.000 2.791 192 C HA 0.608 5.068 4.460 -0.000 0.000 0.270 192 C C 1.527 175.816 174.990 -1.168 0.000 1.257 192 C CA 0.164 58.209 59.018 -1.622 0.000 1.699 192 C CB -0.790 26.008 27.740 -1.569 0.000 1.904 192 C HN 0.828 nan 8.230 nan 0.000 0.603 193 G N 0.204 108.618 108.800 -0.643 0.000 2.157 193 G HA2 0.287 4.247 3.960 -0.000 0.000 0.239 193 G HA3 0.287 4.247 3.960 -0.000 0.000 0.239 193 G C 0.447 175.179 174.900 -0.280 0.000 0.982 193 G CA 0.030 44.909 45.100 -0.369 0.000 0.650 193 G HN 1.647 nan 8.290 nan 0.000 0.527 194 G N -2.228 106.386 108.800 -0.310 0.000 2.603 194 G HA2 0.340 4.300 3.960 -0.000 0.000 0.686 194 G HA3 0.340 4.300 3.960 -0.000 0.000 0.686 194 G C 0.979 175.805 174.900 -0.125 0.000 1.286 194 G CA 0.873 45.856 45.100 -0.194 0.000 0.871 194 G HN 1.802 nan 8.290 nan 0.000 0.568 195 T N -2.612 111.917 114.554 -0.041 0.000 2.684 195 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 195 T C 2.349 177.004 174.700 -0.075 0.000 1.036 195 T CA 2.922 65.036 62.100 0.023 0.000 1.148 195 T CB -0.801 68.091 68.868 0.040 0.000 0.863 195 T HN 0.927 nan 8.240 nan 0.000 0.436 196 T N 1.338 115.841 114.554 -0.085 0.000 2.708 196 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 196 T C 2.136 176.754 174.700 -0.138 0.000 1.037 196 T CA 1.508 63.514 62.100 -0.157 0.000 1.146 196 T CB -0.329 68.506 68.868 -0.055 0.000 0.865 196 T HN 0.291 nan 8.240 nan 0.000 0.435 197 R N 0.901 121.350 120.500 -0.084 0.000 2.081 197 R HA 0.108 4.448 4.340 -0.000 0.000 0.235 197 R C 2.177 178.493 176.300 0.026 0.000 1.131 197 R CA 1.213 57.295 56.100 -0.030 0.000 0.960 197 R CB -0.833 29.439 30.300 -0.046 0.000 0.856 197 R HN 0.466 nan 8.270 nan 0.000 0.436 198 I N 0.106 120.662 120.570 -0.023 0.000 2.439 198 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 198 I C 1.396 177.572 176.117 0.097 0.000 1.139 198 I CA 1.060 62.399 61.300 0.065 0.000 1.438 198 I CB 0.113 38.126 38.000 0.021 0.000 1.085 198 I HN 0.307 nan 8.210 nan 0.000 0.427 199 I N -2.754 117.818 120.570 0.002 0.000 3.783 199 I HA 0.184 4.354 4.170 -0.000 0.000 0.310 199 I C 0.855 176.896 176.117 -0.127 0.000 1.274 199 I CA -0.002 61.257 61.300 -0.068 0.000 1.294 199 I CB -0.183 37.709 38.000 -0.180 0.000 1.051 199 I HN -0.141 nan 8.210 nan 0.000 0.435 200 S N 1.223 116.846 115.700 -0.128 0.000 2.565 200 S HA 0.286 4.756 4.470 -0.000 0.000 0.274 200 S C 1.030 175.585 174.600 -0.075 0.000 1.309 200 S CA -0.165 57.961 58.200 -0.124 0.000 1.043 200 S CB 1.446 64.572 63.200 -0.124 0.000 0.939 200 S HN 0.344 nan 8.310 nan 0.000 0.504 201 T N 2.335 116.846 114.554 -0.072 0.000 2.896 201 T HA 0.020 4.370 4.350 -0.000 0.000 0.238 201 T C 0.589 175.248 174.700 -0.069 0.000 1.045 201 T CA 0.668 62.722 62.100 -0.077 0.000 1.248 201 T CB -0.336 68.488 68.868 -0.073 0.000 0.955 201 T HN 0.611 nan 8.240 nan 0.000 0.416 202 T N 3.569 118.088 114.554 -0.058 0.000 2.831 202 T HA 0.114 4.464 4.350 -0.000 0.000 0.291 202 T C 0.689 175.361 174.700 -0.047 0.000 0.981 202 T CA 0.385 62.457 62.100 -0.046 0.000 1.174 202 T CB -0.153 68.694 68.868 -0.034 0.000 0.929 202 T HN 0.514 nan 8.240 nan 0.000 0.532 203 N N 0.749 119.424 118.700 -0.042 0.000 2.800 203 N HA -0.142 4.598 4.740 -0.000 0.000 0.250 203 N C 0.155 175.648 175.510 -0.027 0.000 1.078 203 N CA 1.426 54.456 53.050 -0.032 0.000 0.804 203 N CB -1.076 37.396 38.487 -0.025 0.000 1.135 203 N HN 0.946 nan 8.380 nan 0.000 0.565 204 G N -3.030 105.747 108.800 -0.039 0.000 3.086 204 G HA2 0.574 4.534 3.960 -0.000 0.000 0.282 204 G HA3 0.574 4.534 3.960 -0.000 0.000 0.282 204 G C 0.961 175.834 174.900 -0.045 0.000 1.343 204 G CA -0.042 45.051 45.100 -0.011 0.000 0.895 204 G HN 0.288 nan 8.290 nan 0.000 0.557 205 G N -0.995 107.808 108.800 0.006 0.000 2.470 205 G HA2 0.003 3.963 3.960 -0.000 0.000 0.220 205 G HA3 0.003 3.963 3.960 -0.000 0.000 0.220 205 G C 1.145 175.983 174.900 -0.103 0.000 1.121 205 G CA 0.908 45.931 45.100 -0.128 0.000 0.766 205 G HN 0.408 nan 8.290 nan 0.000 0.553 206 Q N -0.421 119.320 119.800 -0.099 0.000 2.189 206 Q HA 0.280 4.620 4.340 -0.000 0.000 0.221 206 Q C 1.624 177.542 176.000 -0.136 0.000 0.848 206 Q CA -0.149 55.537 55.803 -0.194 0.000 1.007 206 Q CB 0.746 29.274 28.738 -0.350 0.000 1.116 206 Q HN 0.605 nan 8.270 nan 0.000 0.481 207 E N 0.540 120.676 120.200 -0.107 0.000 2.077 207 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 207 E C -0.052 176.484 176.600 -0.107 0.000 0.989 207 E CA 0.848 57.189 56.400 -0.098 0.000 0.800 207 E CB 0.428 30.067 29.700 -0.101 0.000 0.746 207 E HN 0.150 nan 8.360 nan 0.000 0.452 208 R N -0.763 119.651 120.500 -0.143 0.000 2.808 208 R HA 0.409 4.749 4.340 -0.000 0.000 0.272 208 R C -0.963 175.118 176.300 -0.365 0.000 0.995 208 R CA -0.770 55.164 56.100 -0.276 0.000 0.917 208 R CB 2.000 32.116 30.300 -0.306 0.000 1.217 208 R HN -0.148 nan 8.270 nan 0.000 0.471 209 K N 1.099 121.119 120.400 -0.634 0.000 2.395 209 K HA 0.428 4.748 4.320 -0.000 0.000 0.245 209 K C -0.866 175.389 176.600 -0.576 0.000 1.017 209 K CA -0.789 55.115 56.287 -0.638 0.000 0.852 209 K CB 1.510 33.694 32.500 -0.527 0.000 1.311 209 K HN 0.251 nan 8.250 nan 0.000 0.452 210 F N 0.983 120.858 119.950 -0.125 0.000 2.410 210 F HA 0.116 4.643 4.527 -0.000 0.000 0.348 210 F C 0.663 176.522 175.800 0.098 0.000 1.106 210 F CA -1.030 56.953 58.000 -0.028 0.000 1.163 210 F CB 1.043 40.007 39.000 -0.061 0.000 1.129 210 F HN 0.019 nan 8.300 nan 0.000 0.516 211 V N 3.727 123.853 119.914 0.352 0.000 2.493 211 V HA 0.198 4.318 4.120 -0.000 0.000 0.292 211 V C 0.959 176.971 176.094 -0.136 0.000 1.016 211 V CA 1.276 63.706 62.300 0.217 0.000 1.097 211 V CB 0.057 31.981 31.823 0.169 0.000 0.947 211 V HN 1.118 nan 8.190 nan 0.000 0.479 212 G N 3.265 111.619 108.800 -0.743 0.000 2.195 212 G HA2 0.139 4.099 3.960 -0.000 0.000 0.246 212 G HA3 0.139 4.099 3.960 -0.000 0.000 0.246 212 G C 0.800 175.160 174.900 -0.900 0.000 0.984 212 G CA -0.061 44.300 45.100 -1.231 0.000 0.633 212 G HN 2.439 nan 8.290 nan 0.000 0.525 213 G N -1.505 107.077 108.800 -0.364 0.000 2.617 213 G HA2 0.380 4.340 3.960 -0.000 0.000 0.686 213 G HA3 0.380 4.340 3.960 -0.000 0.000 0.686 213 G C 0.779 175.701 174.900 0.036 0.000 1.214 213 G CA 0.867 45.952 45.100 -0.025 0.000 0.796 213 G HN 1.880 nan 8.290 nan 0.000 0.654 214 S N -0.203 115.574 115.700 0.129 0.000 2.489 214 S HA 0.168 4.638 4.470 -0.000 0.000 0.228 214 S C 2.476 177.074 174.600 -0.004 0.000 0.995 214 S CA 1.556 59.840 58.200 0.141 0.000 0.934 214 S CB 0.075 63.426 63.200 0.251 0.000 0.771 214 S HN 2.164 nan 8.310 nan 0.000 0.522 215 G N 1.284 110.092 108.800 0.013 0.000 2.498 215 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 215 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 215 G C 1.419 176.297 174.900 -0.038 0.000 1.119 215 G CA 0.504 45.614 45.100 0.017 0.000 0.766 215 G HN 0.638 nan 8.290 nan 0.000 0.552 216 Q N -0.219 119.522 119.800 -0.099 0.000 2.224 216 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 216 Q C 2.714 178.619 176.000 -0.158 0.000 0.970 216 Q CA 0.849 56.572 55.803 -0.132 0.000 0.865 216 Q CB -0.124 28.509 28.738 -0.174 0.000 0.922 216 Q HN 0.425 nan 8.270 nan 0.000 0.445 217 V N 0.277 120.068 119.914 -0.205 0.000 2.255 217 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 217 V C 2.117 178.146 176.094 -0.108 0.000 1.051 217 V CA 2.138 64.317 62.300 -0.202 0.000 1.018 217 V CB -0.529 31.159 31.823 -0.226 0.000 0.641 217 V HN 0.287 nan 8.190 nan 0.000 0.445 218 S N -0.933 114.728 115.700 -0.063 0.000 2.395 218 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 218 S C 1.928 176.508 174.600 -0.033 0.000 1.027 218 S CA 1.171 59.352 58.200 -0.031 0.000 0.965 218 S CB -0.190 63.014 63.200 0.006 0.000 0.812 218 S HN 0.672 nan 8.310 nan 0.000 0.482 219 E N 1.014 121.194 120.200 -0.033 0.000 2.077 219 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 219 E C 2.309 178.881 176.600 -0.047 0.000 0.989 219 E CA 0.885 57.267 56.400 -0.030 0.000 0.800 219 E CB -0.039 29.644 29.700 -0.028 0.000 0.746 219 E HN 0.325 nan 8.360 nan 0.000 0.452 220 R N 0.100 120.561 120.500 -0.065 0.000 2.119 220 R HA 0.008 4.348 4.340 -0.000 0.000 0.222 220 R C 2.298 178.558 176.300 -0.067 0.000 1.088 220 R CA 0.725 56.784 56.100 -0.069 0.000 0.984 220 R CB -0.078 30.171 30.300 -0.085 0.000 0.884 220 R HN 0.205 nan 8.270 nan 0.000 0.447 221 I N 0.637 121.167 120.570 -0.068 0.000 2.315 221 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 221 I C 2.613 178.684 176.117 -0.078 0.000 1.117 221 I CA 1.046 62.304 61.300 -0.069 0.000 1.404 221 I CB -0.137 37.827 38.000 -0.060 0.000 1.071 221 I HN 0.204 nan 8.210 nan 0.000 0.419 222 M N 0.883 120.446 119.600 -0.062 0.000 2.159 222 M HA -0.249 4.231 4.480 -0.000 0.000 0.263 222 M C 1.643 177.905 176.300 -0.063 0.000 1.063 222 M CA 1.955 57.219 55.300 -0.060 0.000 1.110 222 M CB -0.191 32.385 32.600 -0.039 0.000 1.374 222 M HN 0.125 nan 8.290 nan 0.000 0.411 223 D N 0.723 121.089 120.400 -0.056 0.000 2.123 223 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 223 D C 2.059 178.321 176.300 -0.064 0.000 0.992 223 D CA 1.519 55.489 54.000 -0.051 0.000 0.833 223 D CB -0.491 40.282 40.800 -0.044 0.000 0.954 223 D HN 0.442 nan 8.370 nan 0.000 0.455 224 L N 0.056 121.231 121.223 -0.081 0.000 2.083 224 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 224 L C 2.379 179.136 176.870 -0.188 0.000 1.083 224 L CA 0.663 55.441 54.840 -0.103 0.000 0.752 224 L CB -0.252 41.748 42.059 -0.097 0.000 0.899 224 L HN 0.014 nan 8.230 nan 0.000 0.433 225 L N -1.075 120.023 121.223 -0.207 0.000 2.509 225 L HA 0.152 4.492 4.340 -0.000 0.000 0.222 225 L C 1.649 178.429 176.870 -0.149 0.000 1.123 225 L CA 0.378 55.052 54.840 -0.276 0.000 0.856 225 L CB -0.662 41.264 42.059 -0.222 0.000 0.985 225 L HN 0.426 nan 8.230 nan 0.000 0.456 226 G N 1.820 110.565 108.800 -0.092 0.000 2.583 226 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.292 226 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.292 226 G C 0.622 175.501 174.900 -0.034 0.000 1.203 226 G CA 0.459 45.530 45.100 -0.049 0.000 0.987 226 G HN 0.490 nan 8.290 nan 0.000 0.554 227 D N 1.007 121.397 120.400 -0.015 0.000 2.378 227 D HA -0.006 4.634 4.640 -0.000 0.000 0.227 227 D C 2.093 178.396 176.300 0.004 0.000 1.012 227 D CA 0.880 54.879 54.000 -0.001 0.000 0.905 227 D CB -0.334 40.473 40.800 0.012 0.000 0.895 227 D HN 0.636 nan 8.370 nan 0.000 0.532 228 R N 0.028 120.522 120.500 -0.011 0.000 2.237 228 R HA 0.066 4.406 4.340 -0.000 0.000 0.219 228 R C 0.410 176.692 176.300 -0.029 0.000 1.080 228 R CA 0.273 56.368 56.100 -0.008 0.000 0.995 228 R CB 0.201 30.488 30.300 -0.022 0.000 0.875 228 R HN 0.075 nan 8.270 nan 0.000 0.462 229 V N 2.955 122.845 119.914 -0.039 0.000 2.406 229 V HA 0.105 4.225 4.120 -0.000 0.000 0.272 229 V C -0.069 176.002 176.094 -0.038 0.000 1.043 229 V CA -0.362 61.909 62.300 -0.048 0.000 0.915 229 V CB 1.325 33.120 31.823 -0.048 0.000 0.988 229 V HN 0.052 nan 8.190 nan 0.000 0.466 230 K N 6.572 126.937 120.400 -0.059 0.000 2.316 230 K HA 0.543 4.863 4.320 -0.000 0.000 0.267 230 K C -0.741 175.826 176.600 -0.054 0.000 1.025 230 K CA -0.334 55.927 56.287 -0.043 0.000 0.896 230 K CB 1.922 34.392 32.500 -0.050 0.000 1.124 230 K HN 0.494 nan 8.250 nan 0.000 0.451 231 L N 1.690 122.892 121.223 -0.035 0.000 2.399 231 L HA 0.187 4.527 4.340 -0.000 0.000 0.266 231 L C 0.661 177.504 176.870 -0.044 0.000 1.114 231 L CA -0.222 54.593 54.840 -0.042 0.000 0.804 231 L CB 0.310 42.353 42.059 -0.027 0.000 1.146 231 L HN 0.709 nan 8.230 nan 0.000 0.451 232 E N 0.729 120.890 120.200 -0.066 0.000 2.389 232 E HA -0.228 4.122 4.350 -0.000 0.000 0.243 232 E C -0.493 176.070 176.600 -0.062 0.000 1.154 232 E CA 0.303 56.662 56.400 -0.068 0.000 0.723 232 E CB -0.763 28.915 29.700 -0.037 0.000 1.261 232 E HN 0.375 nan 8.360 nan 0.000 0.390 233 R N 0.208 120.658 120.500 -0.084 0.000 2.724 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 233 R C -2.709 173.530 176.300 -0.101 0.000 1.481 233 R CA -1.955 54.108 56.100 -0.061 0.000 1.652 233 R CB 0.611 30.879 30.300 -0.053 0.000 1.175 233 R HN -0.021 nan 8.270 nan 0.000 0.613 234 P HA 0.011 nan 4.420 nan 0.000 0.271 234 P C -0.308 176.980 177.300 -0.021 0.000 1.226 234 P CA -0.159 62.862 63.100 -0.133 0.000 0.765 234 P CB 0.916 32.552 31.700 -0.107 0.000 0.835 235 V N 5.584 125.488 119.914 -0.017 0.000 2.555 235 V HA 0.040 4.160 4.120 -0.000 0.000 0.286 235 V C 1.711 177.839 176.094 0.056 0.000 1.044 235 V CA 0.473 62.783 62.300 0.017 0.000 1.026 235 V CB 0.280 32.095 31.823 -0.013 0.000 0.981 235 V HN 0.528 nan 8.190 nan 0.000 0.480 236 I N 1.838 122.459 120.570 0.085 0.000 4.323 236 I HA 0.435 4.605 4.170 -0.000 0.000 0.328 236 I C 0.021 176.240 176.117 0.170 0.000 1.310 236 I CA 0.145 61.523 61.300 0.130 0.000 1.186 236 I CB 0.572 38.641 38.000 0.115 0.000 1.130 236 I HN 0.487 nan 8.210 nan 0.000 0.411 237 Y N 2.007 122.265 120.300 -0.069 0.000 2.399 237 Y HA 0.679 5.229 4.550 -0.000 0.000 0.327 237 Y C -1.798 174.028 175.900 -0.123 0.000 1.111 237 Y CA -1.679 56.359 58.100 -0.103 0.000 1.047 237 Y CB 1.570 39.996 38.460 -0.056 0.000 1.259 237 Y HN -0.017 nan 8.280 nan 0.000 0.434 238 I N 5.919 126.086 120.570 -0.672 0.000 2.418 238 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 238 I C -1.165 174.572 176.117 -0.633 0.000 1.008 238 I CA -0.679 60.301 61.300 -0.533 0.000 1.104 238 I CB 1.704 39.548 38.000 -0.259 0.000 1.264 238 I HN 0.515 nan 8.210 nan 0.000 0.438 239 D N 5.960 126.034 120.400 -0.543 0.000 2.344 239 D HA 0.271 4.911 4.640 -0.000 0.000 0.239 239 D C -0.220 176.009 176.300 -0.119 0.000 1.064 239 D CA -0.140 53.654 54.000 -0.344 0.000 0.829 239 D CB 1.761 42.397 40.800 -0.275 0.000 1.129 239 D HN 0.528 nan 8.370 nan 0.000 0.506 240 Q N 1.573 121.345 119.800 -0.046 0.000 2.155 240 Q HA 0.065 4.405 4.340 -0.000 0.000 0.220 240 Q C 1.230 177.229 176.000 -0.002 0.000 0.819 240 Q CA 0.007 55.802 55.803 -0.014 0.000 1.032 240 Q CB 0.903 29.648 28.738 0.013 0.000 1.151 240 Q HN 0.569 nan 8.270 nan 0.000 0.487 241 T N -2.477 112.080 114.554 0.005 0.000 3.023 241 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 241 T C 1.047 175.752 174.700 0.008 0.000 1.093 241 T CA 0.336 62.446 62.100 0.016 0.000 1.129 241 T CB 0.314 69.201 68.868 0.032 0.000 0.899 241 T HN 0.012 nan 8.240 nan 0.000 0.491 242 R N 0.369 120.869 120.500 -0.000 0.000 2.719 242 R HA 0.470 4.810 4.340 -0.000 0.000 0.233 242 R C 1.725 178.014 176.300 -0.018 0.000 1.257 242 R CA -0.581 55.516 56.100 -0.005 0.000 1.109 242 R CB 0.520 30.819 30.300 -0.001 0.000 1.447 242 R HN 0.143 nan 8.270 nan 0.000 0.537 243 E N 0.427 120.614 120.200 -0.020 0.000 2.058 243 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 243 E C -0.324 176.244 176.600 -0.054 0.000 0.997 243 E CA 1.228 57.608 56.400 -0.032 0.000 0.801 243 E CB 0.160 29.844 29.700 -0.025 0.000 0.746 243 E HN 0.277 nan 8.360 nan 0.000 0.450 244 N N 0.014 118.687 118.700 -0.046 0.000 2.417 244 N HA 0.188 4.928 4.740 -0.000 0.000 0.300 244 N C -1.024 174.457 175.510 -0.048 0.000 1.102 244 N CA -0.421 52.593 53.050 -0.059 0.000 0.886 244 N CB 2.113 40.576 38.487 -0.041 0.000 1.203 244 N HN -0.155 nan 8.380 nan 0.000 0.496 245 V N 2.064 121.943 119.914 -0.058 0.000 2.572 245 V HA 0.183 4.302 4.120 -0.000 0.000 0.291 245 V C 0.432 176.514 176.094 -0.020 0.000 1.039 245 V CA -0.254 62.021 62.300 -0.041 0.000 1.055 245 V CB 0.126 31.927 31.823 -0.036 0.000 0.969 245 V HN 0.367 nan 8.190 nan 0.000 0.482 246 L N 5.501 126.703 121.223 -0.034 0.000 2.287 246 L HA 0.583 4.923 4.340 -0.000 0.000 0.287 246 L C -0.587 176.262 176.870 -0.036 0.000 1.022 246 L CA -0.475 54.359 54.840 -0.010 0.000 0.814 246 L CB 1.800 43.863 42.059 0.006 0.000 1.217 246 L HN 0.382 nan 8.230 nan 0.000 0.420 247 V N 2.797 122.738 119.914 0.046 0.000 2.409 247 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 247 V C -0.203 175.984 176.094 0.156 0.000 1.020 247 V CA -0.622 61.708 62.300 0.051 0.000 0.848 247 V CB 1.742 33.594 31.823 0.050 0.000 0.990 247 V HN 0.724 nan 8.190 nan 0.000 0.430 248 E N 2.841 123.133 120.200 0.154 0.000 2.191 248 E HA 0.648 4.998 4.350 -0.000 0.000 0.274 248 E C -0.277 176.426 176.600 0.172 0.000 0.948 248 E CA -0.474 56.050 56.400 0.206 0.000 0.802 248 E CB 1.810 31.663 29.700 0.256 0.000 1.137 248 E HN 0.836 nan 8.360 nan 0.000 0.397 249 T N 0.979 115.643 114.554 0.184 0.000 2.952 249 T HA 0.191 4.541 4.350 -0.000 0.000 0.286 249 T C 1.004 175.784 174.700 0.134 0.000 1.024 249 T CA -0.855 61.326 62.100 0.135 0.000 1.029 249 T CB 1.139 70.087 68.868 0.134 0.000 1.094 249 T HN 0.429 nan 8.240 nan 0.000 0.515 250 L N 1.752 123.030 121.223 0.092 0.000 2.043 250 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 250 L C 1.815 178.700 176.870 0.026 0.000 1.075 250 L CA 2.229 57.116 54.840 0.078 0.000 0.752 250 L CB -1.279 40.812 42.059 0.053 0.000 0.891 250 L HN 0.948 nan 8.230 nan 0.000 0.432 251 N N -2.307 116.388 118.700 -0.010 0.000 2.413 251 N HA -0.057 4.683 4.740 -0.000 0.000 0.207 251 N C 0.179 175.664 175.510 -0.041 0.000 1.206 251 N CA 0.488 53.467 53.050 -0.118 0.000 0.832 251 N CB -0.643 37.809 38.487 -0.059 0.000 1.037 251 N HN 0.591 nan 8.380 nan 0.000 0.467 252 H N -2.904 116.182 119.070 0.026 0.000 3.257 252 H HA -0.157 4.399 4.556 -0.000 0.000 0.222 252 H C -0.836 174.501 175.328 0.014 0.000 1.143 252 H CA 0.345 56.401 56.048 0.014 0.000 1.152 252 H CB -1.490 28.270 29.762 -0.004 0.000 1.188 252 H HN 0.550 nan 8.280 nan 0.000 0.315 253 E N 1.268 121.558 120.200 0.150 0.000 2.343 253 E HA 0.330 4.680 4.350 -0.000 0.000 0.269 253 E C 0.248 176.880 176.600 0.053 0.000 1.047 253 E CA -0.260 56.176 56.400 0.061 0.000 0.874 253 E CB 0.891 30.654 29.700 0.106 0.000 1.033 253 E HN 0.080 nan 8.360 nan 0.000 0.409 254 M N 2.433 121.956 119.600 -0.129 0.000 2.364 254 M HA 0.364 4.844 4.480 -0.000 0.000 0.334 254 M C -1.278 174.838 176.300 -0.307 0.000 1.107 254 M CA -0.603 54.651 55.300 -0.076 0.000 0.988 254 M CB 1.045 33.616 32.600 -0.048 0.000 1.673 254 M HN 0.491 nan 8.290 nan 0.000 0.441 255 Y N 0.286 120.597 120.300 0.018 0.000 2.442 255 Y HA 0.440 4.990 4.550 -0.000 0.000 0.344 255 Y C -0.129 175.772 175.900 0.001 0.000 0.976 255 Y CA -0.710 57.395 58.100 0.009 0.000 1.040 255 Y CB 1.860 40.325 38.460 0.008 0.000 1.228 255 Y HN 0.569 nan 8.280 nan 0.000 0.451 256 E N 1.809 122.081 120.200 0.121 0.000 2.187 256 E HA 0.857 5.207 4.350 -0.000 0.000 0.268 256 E C -1.360 175.277 176.600 0.061 0.000 0.896 256 E CA -0.709 55.728 56.400 0.060 0.000 0.766 256 E CB 1.464 31.176 29.700 0.020 0.000 1.142 256 E HN 0.750 nan 8.360 nan 0.000 0.408 257 A N 3.199 126.037 122.820 0.030 0.000 2.609 257 A HA 0.359 4.679 4.320 -0.000 0.000 0.291 257 A C -0.120 177.434 177.584 -0.050 0.000 1.096 257 A CA -0.647 51.401 52.037 0.018 0.000 0.684 257 A CB 1.432 20.461 19.000 0.048 0.000 1.282 257 A HN 0.654 nan 8.150 nan 0.000 0.412 258 K N -0.763 119.588 120.400 -0.081 0.000 2.116 258 K HA 0.112 4.432 4.320 -0.000 0.000 0.203 258 K C -0.674 175.594 176.600 -0.553 0.000 1.052 258 K CA 1.445 57.547 56.287 -0.309 0.000 0.952 258 K CB -0.039 32.304 32.500 -0.263 0.000 0.729 258 K HN 0.603 nan 8.250 nan 0.000 0.446 259 Y N -0.958 119.358 120.300 0.027 0.000 2.588 259 Y HA 0.396 4.946 4.550 -0.000 0.000 0.343 259 Y C -0.647 175.273 175.900 0.033 0.000 1.065 259 Y CA -1.307 56.821 58.100 0.048 0.000 1.038 259 Y CB 1.945 40.415 38.460 0.016 0.000 1.297 259 Y HN -0.412 nan 8.280 nan 0.000 0.467 260 V N 3.457 123.505 119.914 0.225 0.000 2.656 260 V HA 0.473 4.593 4.120 -0.000 0.000 0.307 260 V C -0.584 175.558 176.094 0.079 0.000 1.051 260 V CA -0.862 61.500 62.300 0.103 0.000 0.893 260 V CB 2.058 33.910 31.823 0.048 0.000 0.999 260 V HN 0.556 nan 8.190 nan 0.000 0.426 261 I N 2.834 123.420 120.570 0.027 0.000 2.339 261 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 261 I C 0.296 176.399 176.117 -0.023 0.000 0.994 261 I CA -0.124 61.173 61.300 -0.005 0.000 1.191 261 I CB 1.880 39.883 38.000 0.006 0.000 1.343 261 I HN 0.597 nan 8.210 nan 0.000 0.458 262 S N 5.393 121.045 115.700 -0.080 0.000 2.399 262 S HA 0.524 4.994 4.470 -0.000 0.000 0.301 262 S C 0.392 175.067 174.600 0.125 0.000 1.093 262 S CA -0.479 57.739 58.200 0.031 0.000 1.077 262 S CB 0.509 63.743 63.200 0.056 0.000 0.980 262 S HN 0.708 nan 8.310 nan 0.000 0.494 263 A N 5.936 128.821 122.820 0.109 0.000 2.965 263 A HA 0.489 4.809 4.320 -0.000 0.000 0.304 263 A C 0.241 177.903 177.584 0.129 0.000 1.214 263 A CA -0.680 51.428 52.037 0.118 0.000 0.977 263 A CB -0.593 18.453 19.000 0.076 0.000 1.127 263 A HN 0.908 nan 8.150 nan 0.000 0.572 264 I N -4.058 116.609 120.570 0.162 0.000 2.846 264 I HA 0.695 4.865 4.170 -0.000 0.000 0.307 264 I C -2.965 173.251 176.117 0.165 0.000 1.053 264 I CA -3.139 58.254 61.300 0.155 0.000 1.050 264 I CB 1.695 39.789 38.000 0.156 0.000 1.239 264 I HN -0.150 nan 8.210 nan 0.000 0.439 265 P HA 0.136 nan 4.420 nan 0.000 0.262 265 P C -2.176 175.179 177.300 0.092 0.000 1.182 265 P CA -0.652 62.519 63.100 0.117 0.000 0.761 265 P CB -0.005 31.751 31.700 0.094 0.000 0.795 266 P HA -0.235 nan 4.420 nan 0.000 0.216 266 P C 1.608 178.893 177.300 -0.025 0.000 1.157 266 P CA 1.878 64.983 63.100 0.009 0.000 0.880 266 P CB -0.246 31.424 31.700 -0.050 0.000 0.791 267 T N -1.494 113.022 114.554 -0.064 0.000 2.962 267 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 267 T C 1.492 176.184 174.700 -0.013 0.000 1.088 267 T CA 0.669 62.721 62.100 -0.080 0.000 1.127 267 T CB -0.776 68.009 68.868 -0.139 0.000 0.883 267 T HN -0.030 nan 8.240 nan 0.000 0.493 268 L N 0.287 121.532 121.223 0.037 0.000 2.465 268 L HA 0.152 4.492 4.340 -0.000 0.000 0.224 268 L C 2.799 179.744 176.870 0.125 0.000 1.145 268 L CA 0.689 55.579 54.840 0.083 0.000 0.834 268 L CB -0.681 41.452 42.059 0.123 0.000 0.944 268 L HN 0.337 nan 8.230 nan 0.000 0.451 269 G N -0.144 108.741 108.800 0.142 0.000 2.479 269 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 269 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 269 G C 1.593 176.632 174.900 0.232 0.000 1.115 269 G CA 0.226 45.467 45.100 0.236 0.000 0.757 269 G HN 0.132 nan 8.290 nan 0.000 0.560 270 M N 0.456 120.121 119.600 0.109 0.000 2.358 270 M HA 0.004 4.484 4.480 -0.000 0.000 0.264 270 M C 2.139 178.456 176.300 0.029 0.000 1.064 270 M CA 0.959 56.291 55.300 0.054 0.000 1.093 270 M CB -0.511 32.084 32.600 -0.008 0.000 1.401 270 M HN 0.208 nan 8.290 nan 0.000 0.440 271 K N -0.051 120.389 120.400 0.067 0.000 2.486 271 K HA 0.128 4.448 4.320 -0.000 0.000 0.194 271 K C 0.453 177.104 176.600 0.084 0.000 1.033 271 K CA 0.465 56.799 56.287 0.079 0.000 1.004 271 K CB 0.168 32.748 32.500 0.134 0.000 0.798 271 K HN 0.333 nan 8.250 nan 0.000 0.495 272 I N 1.353 121.937 120.570 0.024 0.000 2.377 272 I HA 0.110 4.280 4.170 -0.000 0.000 0.293 272 I C 0.202 176.164 176.117 -0.257 0.000 0.987 272 I CA -0.672 60.545 61.300 -0.138 0.000 1.185 272 I CB 1.225 38.986 38.000 -0.399 0.000 1.341 272 I HN 0.018 nan 8.210 nan 0.000 0.455 273 H N 6.156 125.119 119.070 -0.179 0.000 2.562 273 H HA 0.332 4.888 4.556 -0.000 0.000 0.314 273 H C -1.061 174.176 175.328 -0.151 0.000 1.079 273 H CA -0.198 55.844 56.048 -0.011 0.000 1.349 273 H CB 1.042 30.886 29.762 0.136 0.000 1.432 273 H HN 0.325 nan 8.280 nan 0.000 0.479 274 F N 1.909 121.973 119.950 0.190 0.000 2.443 274 F HA 0.174 4.701 4.527 -0.000 0.000 0.335 274 F C 0.624 176.484 175.800 0.100 0.000 1.104 274 F CA -0.736 57.310 58.000 0.077 0.000 1.013 274 F CB 1.330 40.356 39.000 0.043 0.000 1.136 274 F HN 0.468 nan 8.300 nan 0.000 0.470 275 N N 4.128 122.933 118.700 0.175 0.000 2.461 275 N HA 0.420 5.160 4.740 -0.000 0.000 0.284 275 N C -3.041 172.523 175.510 0.089 0.000 1.049 275 N CA -2.321 50.820 53.050 0.152 0.000 0.889 275 N CB 2.156 40.762 38.487 0.198 0.000 1.365 275 N HN 0.076 nan 8.380 nan 0.000 0.499 276 P HA 0.345 nan 4.420 nan 0.000 0.275 276 P C -2.663 174.715 177.300 0.130 0.000 1.266 276 P CA -1.067 62.094 63.100 0.101 0.000 0.793 276 P CB -0.325 31.412 31.700 0.062 0.000 1.074 277 P HA 0.076 nan 4.420 nan 0.000 0.268 277 P C 0.124 177.441 177.300 0.028 0.000 1.208 277 P CA 0.262 63.425 63.100 0.106 0.000 0.777 277 P CB 0.166 31.910 31.700 0.073 0.000 0.875 278 L N 3.284 124.479 121.223 -0.048 0.000 2.483 278 L HA 0.115 4.455 4.340 -0.000 0.000 0.275 278 L C -1.637 175.183 176.870 -0.083 0.000 1.220 278 L CA -1.494 53.251 54.840 -0.159 0.000 0.833 278 L CB -0.740 41.146 42.059 -0.289 0.000 1.102 278 L HN 0.307 nan 8.230 nan 0.000 0.490 279 P HA -0.056 nan 4.420 nan 0.000 0.268 279 P C 0.643 177.912 177.300 -0.051 0.000 1.208 279 P CA -0.198 62.870 63.100 -0.054 0.000 0.777 279 P CB 0.458 32.125 31.700 -0.055 0.000 0.875 280 M N 1.883 121.465 119.600 -0.030 0.000 2.082 280 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 280 M C 1.239 177.544 176.300 0.008 0.000 1.069 280 M CA 2.270 57.562 55.300 -0.013 0.000 1.102 280 M CB -0.392 32.203 32.600 -0.009 0.000 1.336 280 M HN 0.207 nan 8.290 nan 0.000 0.404 281 M N -0.292 119.312 119.600 0.006 0.000 2.117 281 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 281 M C 2.288 178.630 176.300 0.070 0.000 1.065 281 M CA 1.845 57.188 55.300 0.073 0.000 1.114 281 M CB -1.511 31.078 32.600 -0.018 0.000 1.361 281 M HN 0.416 nan 8.290 nan 0.000 0.408 282 R N 0.497 120.968 120.500 -0.049 0.000 2.075 282 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 282 R C 1.981 178.197 176.300 -0.140 0.000 1.126 282 R CA 1.847 57.868 56.100 -0.131 0.000 0.963 282 R CB -0.282 29.895 30.300 -0.206 0.000 0.858 282 R HN 0.346 nan 8.270 nan 0.000 0.435 283 N N 0.147 118.782 118.700 -0.108 0.000 2.094 283 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 283 N C 1.572 177.018 175.510 -0.107 0.000 1.023 283 N CA 1.918 54.911 53.050 -0.095 0.000 0.857 283 N CB 0.065 38.517 38.487 -0.057 0.000 1.013 283 N HN 0.391 nan 8.380 nan 0.000 0.426 284 Q N -1.079 118.660 119.800 -0.102 0.000 2.204 284 Q HA -0.028 4.312 4.340 -0.000 0.000 0.198 284 Q C 1.962 177.702 176.000 -0.434 0.000 0.946 284 Q CA 0.479 56.167 55.803 -0.193 0.000 0.859 284 Q CB -0.095 28.600 28.738 -0.071 0.000 0.946 284 Q HN 0.493 nan 8.270 nan 0.000 0.474 285 M N 1.724 121.053 119.600 -0.450 0.000 2.082 285 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 285 M C 2.063 178.117 176.300 -0.409 0.000 1.069 285 M CA 1.725 56.699 55.300 -0.543 0.000 1.102 285 M CB -0.518 31.945 32.600 -0.229 0.000 1.336 285 M HN 0.310 nan 8.290 nan 0.000 0.404 286 I N -1.408 118.993 120.570 -0.282 0.000 3.241 286 I HA -0.099 4.071 4.170 -0.000 0.000 0.280 286 I C 1.480 177.467 176.117 -0.218 0.000 1.320 286 I CA 1.453 62.620 61.300 -0.223 0.000 1.413 286 I CB -0.969 36.947 38.000 -0.140 0.000 1.060 286 I HN 0.343 nan 8.210 nan 0.000 0.500 287 T N -2.510 111.893 114.554 -0.252 0.000 3.069 287 T HA 0.271 4.621 4.350 -0.000 0.000 0.252 287 T C 1.506 176.038 174.700 -0.281 0.000 1.053 287 T CA -0.194 61.771 62.100 -0.225 0.000 0.964 287 T CB -0.040 68.719 68.868 -0.181 0.000 1.005 287 T HN 0.409 nan 8.240 nan 0.000 0.532 288 R N 1.051 121.323 120.500 -0.379 0.000 2.509 288 R HA 0.333 4.673 4.340 -0.000 0.000 0.300 288 R C -0.131 175.853 176.300 -0.527 0.000 0.985 288 R CA -0.023 55.825 56.100 -0.420 0.000 1.092 288 R CB 1.261 31.259 30.300 -0.503 0.000 1.237 288 R HN 0.432 nan 8.270 nan 0.000 0.546 289 V N -0.865 118.720 119.914 -0.548 0.000 2.383 289 V HA 0.469 4.589 4.120 -0.000 0.000 0.261 289 V C -2.656 173.081 176.094 -0.595 0.000 0.987 289 V CA -2.331 59.533 62.300 -0.727 0.000 0.853 289 V CB 0.732 32.077 31.823 -0.797 0.000 1.095 289 V HN -0.103 nan 8.190 nan 0.000 0.461 290 P HA 0.514 nan 4.420 nan 0.000 0.276 290 P C -0.656 176.324 177.300 -0.533 0.000 1.261 290 P CA -0.363 62.408 63.100 -0.548 0.000 0.800 290 P CB 1.818 33.183 31.700 -0.558 0.000 1.066 291 L N -0.011 121.077 121.223 -0.225 0.000 2.334 291 L HA 0.591 4.931 4.340 -0.000 0.000 0.270 291 L C 1.426 178.355 176.870 0.098 0.000 1.018 291 L CA -0.276 54.533 54.840 -0.051 0.000 0.811 291 L CB 0.756 42.815 42.059 0.001 0.000 1.271 291 L HN 0.469 nan 8.230 nan 0.000 0.443 292 G N -0.027 108.860 108.800 0.144 0.000 2.611 292 G HA2 0.420 4.380 3.960 -0.000 0.000 0.273 292 G HA3 0.420 4.380 3.960 -0.000 0.000 0.273 292 G C -0.762 174.140 174.900 0.002 0.000 1.305 292 G CA -0.351 44.793 45.100 0.073 0.000 1.010 292 G HN 0.492 nan 8.290 nan 0.000 0.509 293 S N -1.486 114.184 115.700 -0.050 0.000 2.561 293 S HA 0.603 5.073 4.470 -0.000 0.000 0.303 293 S C -1.050 173.529 174.600 -0.035 0.000 1.110 293 S CA -0.499 57.697 58.200 -0.006 0.000 1.034 293 S CB 1.738 64.948 63.200 0.016 0.000 1.010 293 S HN 0.783 nan 8.310 nan 0.000 0.482 294 V N 4.658 124.603 119.914 0.052 0.000 3.000 294 V HA 0.558 4.678 4.120 -0.000 0.000 0.300 294 V C -1.948 174.299 176.094 0.255 0.000 1.251 294 V CA -0.711 61.650 62.300 0.102 0.000 0.972 294 V CB 1.803 33.620 31.823 -0.010 0.000 1.065 294 V HN 0.877 nan 8.190 nan 0.000 0.431 295 I N 5.228 125.958 120.570 0.267 0.000 2.362 295 I HA 0.518 4.688 4.170 -0.000 0.000 0.289 295 I C -0.196 176.162 176.117 0.401 0.000 0.994 295 I CA -0.582 60.897 61.300 0.300 0.000 1.158 295 I CB 1.704 39.822 38.000 0.197 0.000 1.315 295 I HN 0.508 nan 8.210 nan 0.000 0.451 296 K N 5.974 126.649 120.400 0.458 0.000 2.227 296 K HA 0.584 4.904 4.320 -0.000 0.000 0.280 296 K C -1.417 175.318 176.600 0.225 0.000 1.041 296 K CA -0.310 56.231 56.287 0.424 0.000 0.905 296 K CB 0.845 33.657 32.500 0.522 0.000 1.068 296 K HN 0.714 nan 8.250 nan 0.000 0.470 297 C N 5.172 124.567 119.300 0.158 0.000 2.498 297 C HA 0.587 5.047 4.460 -0.000 0.000 0.316 297 C C -0.801 174.247 174.990 0.097 0.000 1.209 297 C CA -1.134 57.963 59.018 0.133 0.000 1.518 297 C CB 0.103 28.027 27.740 0.307 0.000 2.147 297 C HN 0.737 nan 8.230 nan 0.000 0.483 298 I N 2.671 123.262 120.570 0.036 0.000 2.439 298 I HA 0.425 4.595 4.170 -0.000 0.000 0.285 298 I C -0.304 175.837 176.117 0.040 0.000 1.021 298 I CA -0.155 61.121 61.300 -0.041 0.000 1.091 298 I CB 1.475 39.392 38.000 -0.137 0.000 1.242 298 I HN 0.379 nan 8.210 nan 0.000 0.439 299 V N 6.659 126.592 119.914 0.030 0.000 2.394 299 V HA 0.371 4.491 4.120 -0.000 0.000 0.282 299 V C -0.609 175.322 176.094 -0.272 0.000 1.031 299 V CA -0.676 61.651 62.300 0.045 0.000 0.881 299 V CB 0.788 32.687 31.823 0.128 0.000 0.982 299 V HN 0.401 nan 8.190 nan 0.000 0.451 300 Y N 4.110 124.355 120.300 -0.092 0.000 2.334 300 Y HA 0.663 5.213 4.550 -0.000 0.000 0.328 300 Y C -0.250 175.501 175.900 -0.247 0.000 1.130 300 Y CA -0.422 57.666 58.100 -0.020 0.000 1.163 300 Y CB 1.261 39.809 38.460 0.147 0.000 1.207 300 Y HN 0.530 nan 8.280 nan 0.000 0.471 301 Y N -0.087 120.462 120.300 0.416 0.000 2.605 301 Y HA 0.301 4.851 4.550 -0.000 0.000 0.343 301 Y C 1.123 177.168 175.900 0.242 0.000 1.036 301 Y CA -1.399 56.914 58.100 0.357 0.000 1.065 301 Y CB 1.886 40.651 38.460 0.508 0.000 1.288 301 Y HN 0.489 nan 8.280 nan 0.000 0.481 302 K N 0.400 121.013 120.400 0.355 0.000 2.063 302 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 302 K C -0.506 176.166 176.600 0.120 0.000 1.048 302 K CA 1.771 58.165 56.287 0.178 0.000 0.928 302 K CB 0.179 32.758 32.500 0.132 0.000 0.713 302 K HN 0.711 nan 8.250 nan 0.000 0.442 303 E N -1.314 118.972 120.200 0.143 0.000 2.408 303 E HA 0.194 4.544 4.350 -0.000 0.000 0.275 303 E C -2.693 173.780 176.600 -0.213 0.000 0.935 303 E CA -2.133 54.257 56.400 -0.017 0.000 0.775 303 E CB 2.279 31.959 29.700 -0.034 0.000 1.277 303 E HN -0.089 nan 8.360 nan 0.000 0.455 304 P HA 0.049 nan 4.420 nan 0.000 0.230 304 P C 0.234 176.602 177.300 -1.554 0.000 1.791 304 P CA -0.056 62.123 63.100 -1.536 0.000 1.020 304 P CB -0.894 30.209 31.700 -0.996 0.000 1.977 305 F N 0.057 119.441 119.950 -0.943 0.000 2.250 305 F HA -0.133 4.394 4.527 -0.000 0.000 0.301 305 F C 1.743 177.366 175.800 -0.294 0.000 1.077 305 F CA 0.053 57.788 58.000 -0.443 0.000 1.348 305 F CB -1.788 37.082 39.000 -0.217 0.000 1.040 305 F HN 0.130 nan 8.300 nan 0.000 0.509 306 W N 1.256 122.220 121.300 -0.560 0.000 2.350 306 W HA -0.005 4.655 4.660 0.000 0.000 0.289 306 W C 2.077 178.536 176.519 -0.100 0.000 1.215 306 W CA 0.942 58.154 57.345 -0.222 0.000 1.236 306 W CB -1.138 28.129 29.460 -0.322 0.000 1.130 306 W HN -0.117 nan 8.180 nan 0.000 0.541 307 R N 1.244 121.526 120.500 -0.364 0.000 2.096 307 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 307 R C 2.165 178.378 176.300 -0.146 0.000 1.127 307 R CA 1.858 57.841 56.100 -0.195 0.000 0.968 307 R CB -0.409 29.718 30.300 -0.288 0.000 0.861 307 R HN 0.286 nan 8.270 nan 0.000 0.440 308 K N 0.583 120.892 120.400 -0.152 0.000 2.209 308 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 308 K C 1.486 178.013 176.600 -0.121 0.000 1.048 308 K CA 1.051 57.275 56.287 -0.106 0.000 0.940 308 K CB -0.012 32.446 32.500 -0.069 0.000 0.729 308 K HN 0.126 nan 8.250 nan 0.000 0.451 309 K N 0.927 121.228 120.400 -0.166 0.000 2.417 309 K HA -0.046 4.274 4.320 -0.000 0.000 0.196 309 K C -0.455 175.821 176.600 -0.540 0.000 1.023 309 K CA 0.116 56.197 56.287 -0.343 0.000 1.122 309 K CB 0.195 32.447 32.500 -0.414 0.000 0.850 309 K HN 0.033 nan 8.250 nan 0.000 0.521 310 D N -0.100 120.125 120.400 -0.291 0.000 2.835 310 D HA -0.217 4.423 4.640 -0.000 0.000 0.230 310 D C -1.395 174.846 176.300 -0.099 0.000 1.130 310 D CA 0.851 54.743 54.000 -0.180 0.000 0.738 310 D CB -1.391 39.325 40.800 -0.139 0.000 1.090 310 D HN 0.330 nan 8.370 nan 0.000 0.433 311 Y N -0.742 119.593 120.300 0.059 0.000 2.352 311 Y HA 0.303 4.853 4.550 -0.000 0.000 0.339 311 Y C 2.110 178.081 175.900 0.118 0.000 0.992 311 Y CA -0.968 57.168 58.100 0.059 0.000 1.100 311 Y CB 1.215 39.721 38.460 0.075 0.000 1.192 311 Y HN 0.261 nan 8.280 nan 0.000 0.458 312 C N -0.707 118.707 119.300 0.190 0.000 2.446 312 C HA 0.349 4.809 4.460 -0.000 0.000 0.279 312 C C 1.768 176.815 174.990 0.097 0.000 1.366 312 C CA 0.783 59.881 59.018 0.134 0.000 1.763 312 C CB -0.970 26.778 27.740 0.013 0.000 1.929 312 C HN 1.219 nan 8.230 nan 0.000 0.509 313 G N -0.572 108.136 108.800 -0.153 0.000 2.229 313 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.189 313 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.189 313 G C 0.032 174.605 174.900 -0.544 0.000 1.000 313 G CA 0.159 44.877 45.100 -0.635 0.000 0.663 313 G HN 0.572 nan 8.290 nan 0.000 0.493 314 T N 2.502 116.830 114.554 -0.377 0.000 2.779 314 T HA 0.617 4.967 4.350 -0.000 0.000 0.296 314 T C 0.310 174.796 174.700 -0.357 0.000 0.938 314 T CA 0.584 62.436 62.100 -0.412 0.000 1.119 314 T CB 0.813 69.495 68.868 -0.310 0.000 0.891 314 T HN 0.295 nan 8.240 nan 0.000 0.526 315 M N 4.078 123.448 119.600 -0.383 0.000 2.326 315 M HA 0.494 4.974 4.480 -0.000 0.000 0.306 315 M C -0.872 175.406 176.300 -0.036 0.000 1.054 315 M CA -0.597 54.596 55.300 -0.177 0.000 0.922 315 M CB 2.161 34.645 32.600 -0.194 0.000 1.632 315 M HN 0.406 nan 8.290 nan 0.000 0.436 316 I N 4.748 125.447 120.570 0.214 0.000 2.354 316 I HA 0.445 4.615 4.170 -0.000 0.000 0.286 316 I C -0.824 175.556 176.117 0.439 0.000 1.007 316 I CA -0.320 61.211 61.300 0.385 0.000 1.167 316 I CB 0.873 39.117 38.000 0.408 0.000 1.320 316 I HN 0.610 nan 8.210 nan 0.000 0.458 317 I N 5.197 125.983 120.570 0.359 0.000 2.382 317 I HA 0.299 4.468 4.170 -0.000 0.000 0.285 317 I C -0.201 176.096 176.117 0.300 0.000 1.007 317 I CA -0.538 60.956 61.300 0.323 0.000 1.142 317 I CB 1.144 39.274 38.000 0.216 0.000 1.289 317 I HN 0.469 nan 8.210 nan 0.000 0.453 318 D N 4.674 125.253 120.400 0.298 0.000 2.313 318 D HA 0.580 5.220 4.640 -0.000 0.000 0.247 318 D C 0.307 176.719 176.300 0.186 0.000 1.094 318 D CA 0.736 54.874 54.000 0.231 0.000 0.925 318 D CB 1.988 42.902 40.800 0.190 0.000 1.188 318 D HN 0.826 nan 8.370 nan 0.000 0.430 319 G N 1.535 110.425 108.800 0.150 0.000 2.539 319 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 319 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 319 G C 0.423 175.396 174.900 0.121 0.000 1.258 319 G CA -0.143 45.031 45.100 0.124 0.000 0.846 319 G HN 0.420 nan 8.290 nan 0.000 0.647 320 E N -0.006 120.259 120.200 0.109 0.000 2.158 320 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 320 E C 2.141 178.800 176.600 0.098 0.000 0.982 320 E CA 2.250 58.724 56.400 0.122 0.000 0.823 320 E CB -0.007 29.761 29.700 0.114 0.000 0.766 320 E HN 0.655 nan 8.360 nan 0.000 0.468 321 E N 0.408 120.657 120.200 0.083 0.000 2.152 321 E HA 0.073 4.423 4.350 -0.000 0.000 0.192 321 E C 0.435 177.066 176.600 0.051 0.000 0.983 321 E CA 0.853 57.291 56.400 0.063 0.000 0.818 321 E CB -0.230 29.506 29.700 0.060 0.000 0.758 321 E HN 0.260 nan 8.360 nan 0.000 0.467 322 A N 2.649 125.509 122.820 0.068 0.000 2.444 322 A HA 0.132 4.452 4.320 -0.000 0.000 0.273 322 A C -1.430 176.179 177.584 0.042 0.000 1.136 322 A CA -1.149 50.921 52.037 0.056 0.000 0.799 322 A CB 0.120 19.176 19.000 0.093 0.000 1.081 322 A HN -0.004 nan 8.150 nan 0.000 0.509 323 P HA -0.051 nan 4.420 nan 0.000 0.218 323 P C 0.240 177.569 177.300 0.050 0.000 1.149 323 P CA 1.008 64.113 63.100 0.007 0.000 0.817 323 P CB 0.070 31.756 31.700 -0.023 0.000 0.785 324 V N 0.053 120.013 119.914 0.078 0.000 2.448 324 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 324 V C 1.162 177.369 176.094 0.189 0.000 1.025 324 V CA -0.121 62.273 62.300 0.157 0.000 0.859 324 V CB 1.354 33.294 31.823 0.195 0.000 0.988 324 V HN -0.029 nan 8.190 nan 0.000 0.431 325 A N 4.339 127.303 122.820 0.239 0.000 2.169 325 A HA 0.314 4.634 4.320 -0.000 0.000 0.210 325 A C 0.180 177.985 177.584 0.370 0.000 1.168 325 A CA 0.598 52.798 52.037 0.272 0.000 0.813 325 A CB 0.181 19.330 19.000 0.248 0.000 0.861 325 A HN 0.753 nan 8.150 nan 0.000 0.481 326 Y N -0.111 120.312 120.300 0.206 0.000 2.482 326 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 326 Y C -0.388 175.560 175.900 0.080 0.000 1.091 326 Y CA -0.379 57.826 58.100 0.175 0.000 1.027 326 Y CB 1.607 40.222 38.460 0.259 0.000 1.306 326 Y HN 0.128 nan 8.280 nan 0.000 0.446 327 T N 3.759 117.986 114.554 -0.546 0.000 2.906 327 T HA 0.875 5.225 4.350 -0.000 0.000 0.295 327 T C -1.519 172.750 174.700 -0.718 0.000 1.075 327 T CA -0.817 60.968 62.100 -0.526 0.000 1.005 327 T CB 1.911 70.475 68.868 -0.507 0.000 1.136 327 T HN 0.607 nan 8.240 nan 0.000 0.498 328 L N 0.787 121.714 121.223 -0.494 0.000 2.376 328 L HA 0.500 4.840 4.340 -0.000 0.000 0.258 328 L C -0.622 176.050 176.870 -0.330 0.000 1.013 328 L CA -1.266 53.342 54.840 -0.386 0.000 0.822 328 L CB 2.213 44.125 42.059 -0.245 0.000 1.388 328 L HN 0.744 nan 8.230 nan 0.000 0.413 329 D N 0.945 121.194 120.400 -0.253 0.000 2.434 329 D HA -0.054 4.586 4.640 -0.000 0.000 0.252 329 D C -0.319 175.991 176.300 0.017 0.000 1.185 329 D CA 0.630 54.563 54.000 -0.112 0.000 0.886 329 D CB 1.131 41.983 40.800 0.088 0.000 1.148 329 D HN 0.511 nan 8.370 nan 0.000 0.483 330 D N 1.964 122.377 120.400 0.021 0.000 2.462 330 D HA 0.066 4.706 4.640 -0.000 0.000 0.221 330 D C -0.325 176.049 176.300 0.124 0.000 1.173 330 D CA -0.167 53.873 54.000 0.067 0.000 0.831 330 D CB 0.401 41.181 40.800 -0.032 0.000 1.001 330 D HN 0.211 nan 8.370 nan 0.000 0.499 331 T N 1.527 116.194 114.554 0.188 0.000 2.940 331 T HA 0.029 4.379 4.350 -0.000 0.000 0.309 331 T C 0.519 175.296 174.700 0.128 0.000 1.056 331 T CA -0.097 62.115 62.100 0.186 0.000 1.137 331 T CB 0.824 69.808 68.868 0.193 0.000 0.976 331 T HN -0.029 nan 8.240 nan 0.000 0.547 332 K N 4.008 124.449 120.400 0.069 0.000 2.380 332 K HA 0.063 4.383 4.320 -0.000 0.000 0.267 332 K C -1.427 175.077 176.600 -0.160 0.000 0.990 332 K CA -1.596 54.640 56.287 -0.086 0.000 0.946 332 K CB 0.180 32.659 32.500 -0.034 0.000 0.937 332 K HN 0.353 nan 8.250 nan 0.000 0.491 333 P HA -0.134 nan 4.420 nan 0.000 0.219 333 P C 0.298 177.526 177.300 -0.119 0.000 1.146 333 P CA 1.347 64.249 63.100 -0.330 0.000 0.808 333 P CB 0.290 31.664 31.700 -0.542 0.000 0.779 334 E N -0.920 119.230 120.200 -0.084 0.000 2.478 334 E HA 0.139 4.489 4.350 -0.000 0.000 0.198 334 E C 1.573 178.164 176.600 -0.015 0.000 1.046 334 E CA 0.931 57.315 56.400 -0.026 0.000 0.870 334 E CB -0.839 28.865 29.700 0.007 0.000 0.818 334 E HN 0.307 nan 8.360 nan 0.000 0.527 335 G N 0.747 109.540 108.800 -0.012 0.000 2.175 335 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 335 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 335 G C 0.131 175.025 174.900 -0.009 0.000 0.982 335 G CA 0.305 45.397 45.100 -0.015 0.000 0.641 335 G HN 0.375 nan 8.290 nan 0.000 0.527 336 N N -0.791 117.923 118.700 0.023 0.000 2.563 336 N HA 0.528 5.268 4.740 -0.000 0.000 0.288 336 N C 0.521 176.120 175.510 0.148 0.000 1.246 336 N CA -0.887 52.160 53.050 -0.006 0.000 0.946 336 N CB 0.051 38.464 38.487 -0.123 0.000 1.213 336 N HN 0.610 nan 8.380 nan 0.000 0.578 337 Y N -2.379 117.955 120.300 0.057 0.000 3.108 337 Y HA -0.175 4.375 4.550 -0.000 0.000 0.208 337 Y C 0.667 176.702 175.900 0.224 0.000 1.245 337 Y CA 0.347 58.532 58.100 0.142 0.000 1.171 337 Y CB -2.334 36.181 38.460 0.091 0.000 1.331 337 Y HN 0.744 nan 8.280 nan 0.000 0.534 338 A N 0.350 123.332 122.820 0.269 0.000 2.584 338 A HA 0.503 4.823 4.320 -0.000 0.000 0.239 338 A C 0.749 178.580 177.584 0.412 0.000 1.043 338 A CA 0.671 52.881 52.037 0.289 0.000 0.756 338 A CB 0.026 19.124 19.000 0.163 0.000 0.963 338 A HN 1.510 nan 8.150 nan 0.000 0.511 339 A N 2.683 125.745 122.820 0.403 0.000 2.589 339 A HA 0.627 4.947 4.320 -0.000 0.000 0.296 339 A C -0.949 176.623 177.584 -0.021 0.000 1.062 339 A CA -0.524 51.556 52.037 0.071 0.000 0.686 339 A CB 1.012 19.746 19.000 -0.444 0.000 1.282 339 A HN 0.716 nan 8.150 nan 0.000 0.404 340 I N 2.808 123.264 120.570 -0.189 0.000 2.389 340 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 340 I C -0.220 175.735 176.117 -0.270 0.000 0.999 340 I CA -0.370 60.683 61.300 -0.412 0.000 1.129 340 I CB 1.651 39.237 38.000 -0.690 0.000 1.288 340 I HN 0.739 nan 8.210 nan 0.000 0.444 341 M N 5.776 125.216 119.600 -0.266 0.000 2.188 341 M HA 0.574 5.054 4.480 -0.000 0.000 0.357 341 M C -0.289 175.862 176.300 -0.248 0.000 1.204 341 M CA -0.148 55.029 55.300 -0.205 0.000 1.095 341 M CB 1.093 33.595 32.600 -0.164 0.000 1.604 341 M HN 0.697 nan 8.290 nan 0.000 0.464 342 G N 4.532 113.245 108.800 -0.144 0.000 2.563 342 G HA2 0.688 4.648 3.960 -0.000 0.000 0.302 342 G HA3 0.688 4.648 3.960 -0.000 0.000 0.302 342 G C -1.925 172.940 174.900 -0.059 0.000 1.301 342 G CA -0.544 44.516 45.100 -0.067 0.000 0.965 342 G HN 0.667 nan 8.290 nan 0.000 0.480 343 F N 0.777 120.870 119.950 0.239 0.000 2.427 343 F HA 0.481 5.008 4.527 -0.000 0.000 0.346 343 F C 0.487 176.397 175.800 0.183 0.000 1.120 343 F CA -0.756 57.386 58.000 0.237 0.000 1.033 343 F CB 2.160 41.329 39.000 0.283 0.000 1.126 343 F HN 0.039 nan 8.300 nan 0.000 0.462 344 I N 5.540 126.323 120.570 0.354 0.000 2.307 344 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 344 I C -0.726 175.477 176.117 0.144 0.000 1.021 344 I CA -0.370 61.049 61.300 0.199 0.000 1.224 344 I CB 0.907 38.995 38.000 0.146 0.000 1.376 344 I HN 0.395 nan 8.210 nan 0.000 0.470 345 L N 6.490 127.759 121.223 0.077 0.000 2.317 345 L HA 0.720 5.060 4.340 -0.000 0.000 0.281 345 L C 0.915 177.753 176.870 -0.054 0.000 1.024 345 L CA -0.120 54.724 54.840 0.008 0.000 0.810 345 L CB 1.552 43.622 42.059 0.018 0.000 1.240 345 L HN 0.899 nan 8.230 nan 0.000 0.427 346 A N 2.131 124.910 122.820 -0.068 0.000 5.218 346 A HA -0.363 3.957 4.320 -0.000 0.000 0.318 346 A C 1.659 179.238 177.584 -0.008 0.000 1.887 346 A CA 1.525 53.529 52.037 -0.054 0.000 0.712 346 A CB -1.656 17.311 19.000 -0.055 0.000 1.343 346 A HN 1.072 nan 8.150 nan 0.000 0.377 347 H N 1.126 120.185 119.070 -0.019 0.000 2.491 347 H HA 0.075 4.631 4.556 -0.000 0.000 0.290 347 H C 1.720 177.064 175.328 0.026 0.000 1.050 347 H CA 1.674 57.728 56.048 0.010 0.000 1.309 347 H CB -0.280 29.496 29.762 0.024 0.000 1.392 347 H HN 0.716 nan 8.280 nan 0.000 0.554 348 K N 0.753 120.807 120.400 -0.578 0.000 2.148 348 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 348 K C 2.578 179.114 176.600 -0.107 0.000 1.050 348 K CA 0.989 57.063 56.287 -0.355 0.000 0.942 348 K CB 0.018 32.337 32.500 -0.301 0.000 0.724 348 K HN 0.318 nan 8.250 nan 0.000 0.446 349 A N 1.365 124.154 122.820 -0.053 0.000 1.908 349 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 349 A C 2.065 179.662 177.584 0.022 0.000 1.181 349 A CA 1.548 53.594 52.037 0.016 0.000 0.627 349 A CB -0.341 18.683 19.000 0.040 0.000 0.818 349 A HN 0.136 nan 8.150 nan 0.000 0.445 350 R N -0.399 120.113 120.500 0.021 0.000 2.066 350 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 350 R C 2.348 178.669 176.300 0.035 0.000 1.131 350 R CA 1.754 57.877 56.100 0.038 0.000 0.955 350 R CB -0.312 30.023 30.300 0.058 0.000 0.851 350 R HN 0.612 nan 8.270 nan 0.000 0.432 351 K N 0.523 120.941 120.400 0.032 0.000 2.026 351 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 351 K C 1.489 178.102 176.600 0.022 0.000 1.048 351 K CA 1.380 57.688 56.287 0.034 0.000 0.929 351 K CB -0.015 32.510 32.500 0.041 0.000 0.713 351 K HN 0.151 nan 8.250 nan 0.000 0.439 352 L N 0.086 121.317 121.223 0.012 0.000 2.591 352 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 352 L C 2.088 178.975 176.870 0.028 0.000 1.133 352 L CA 0.112 54.962 54.840 0.017 0.000 0.880 352 L CB 0.047 42.114 42.059 0.013 0.000 1.033 352 L HN 0.177 nan 8.230 nan 0.000 0.450 353 A N 0.444 123.282 122.820 0.030 0.000 2.067 353 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 353 A C 2.358 179.958 177.584 0.025 0.000 1.158 353 A CA 0.939 52.995 52.037 0.032 0.000 0.661 353 A CB -0.298 18.720 19.000 0.030 0.000 0.801 353 A HN 0.339 nan 8.150 nan 0.000 0.452 354 R N -0.614 119.899 120.500 0.022 0.000 2.148 354 R HA 0.075 4.415 4.340 -0.000 0.000 0.227 354 R C 0.159 176.469 176.300 0.017 0.000 1.103 354 R CA 0.238 56.348 56.100 0.018 0.000 0.983 354 R CB -0.435 29.875 30.300 0.017 0.000 0.874 354 R HN 0.441 nan 8.270 nan 0.000 0.451 355 L N 0.689 121.923 121.223 0.019 0.000 2.475 355 L HA 0.092 4.432 4.340 -0.000 0.000 0.253 355 L C 1.047 177.931 176.870 0.023 0.000 1.198 355 L CA -0.426 54.424 54.840 0.017 0.000 0.814 355 L CB 0.399 42.465 42.059 0.012 0.000 1.134 355 L HN 0.126 nan 8.230 nan 0.000 0.478 356 T N -2.789 111.777 114.554 0.020 0.000 2.849 356 T HA 0.125 4.475 4.350 -0.000 0.000 0.284 356 T C 0.910 175.637 174.700 0.045 0.000 1.004 356 T CA -0.672 61.445 62.100 0.028 0.000 1.021 356 T CB 1.260 70.140 68.868 0.020 0.000 1.013 356 T HN 0.624 nan 8.240 nan 0.000 0.527 357 K N 0.331 120.774 120.400 0.071 0.000 2.020 357 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 357 K C 2.075 178.726 176.600 0.084 0.000 1.050 357 K CA 2.092 58.463 56.287 0.140 0.000 0.929 357 K CB -0.248 32.340 32.500 0.147 0.000 0.714 357 K HN 0.696 nan 8.250 nan 0.000 0.443 358 E N 0.570 120.789 120.200 0.032 0.000 2.110 358 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 358 E C 1.821 178.382 176.600 -0.065 0.000 0.988 358 E CA 1.426 57.811 56.400 -0.025 0.000 0.804 358 E CB 0.006 29.703 29.700 -0.006 0.000 0.745 358 E HN 0.374 nan 8.360 nan 0.000 0.458 359 E N 0.036 120.214 120.200 -0.036 0.000 2.072 359 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 359 E C 2.107 178.664 176.600 -0.072 0.000 0.985 359 E CA 0.760 57.134 56.400 -0.043 0.000 0.801 359 E CB 0.032 29.722 29.700 -0.018 0.000 0.750 359 E HN 0.106 nan 8.360 nan 0.000 0.452 360 R N 0.131 120.593 120.500 -0.063 0.000 2.075 360 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 360 R C 2.447 178.599 176.300 -0.246 0.000 1.126 360 R CA 0.795 56.846 56.100 -0.082 0.000 0.963 360 R CB -0.331 29.991 30.300 0.037 0.000 0.858 360 R HN 0.135 nan 8.270 nan 0.000 0.435 361 L N 1.767 122.726 121.223 -0.440 0.000 2.012 361 L HA -0.213 4.126 4.340 -0.000 0.000 0.210 361 L C 2.167 178.829 176.870 -0.346 0.000 1.073 361 L CA 1.900 56.336 54.840 -0.675 0.000 0.748 361 L CB -0.430 41.181 42.059 -0.748 0.000 0.891 361 L HN -0.015 nan 8.230 nan 0.000 0.431 362 K N -0.553 119.717 120.400 -0.217 0.000 2.032 362 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 362 K C 2.173 178.689 176.600 -0.140 0.000 1.048 362 K CA 1.778 57.983 56.287 -0.137 0.000 0.927 362 K CB -0.089 32.358 32.500 -0.089 0.000 0.712 362 K HN 0.316 nan 8.250 nan 0.000 0.441 363 K N 0.158 120.471 120.400 -0.144 0.000 2.063 363 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 363 K C 2.107 178.575 176.600 -0.219 0.000 1.048 363 K CA 1.219 57.424 56.287 -0.138 0.000 0.928 363 K CB -0.149 32.289 32.500 -0.104 0.000 0.713 363 K HN 0.062 nan 8.250 nan 0.000 0.442 364 L N 0.830 121.866 121.223 -0.311 0.000 2.027 364 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 364 L C 2.508 178.959 176.870 -0.698 0.000 1.074 364 L CA 1.497 55.989 54.840 -0.581 0.000 0.745 364 L CB -0.693 41.058 42.059 -0.512 0.000 0.898 364 L HN 0.222 nan 8.230 nan 0.000 0.433 365 C N -0.674 118.438 119.300 -0.315 0.000 2.429 365 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 365 C C 2.651 177.620 174.990 -0.034 0.000 1.262 365 C CA 0.630 59.613 59.018 -0.058 0.000 1.733 365 C CB -0.756 26.996 27.740 0.020 0.000 2.010 365 C HN 0.548 nan 8.230 nan 0.000 0.483 366 E N 0.258 120.407 120.200 -0.086 0.000 2.106 366 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 366 E C 1.989 178.554 176.600 -0.058 0.000 0.984 366 E CA 0.972 57.343 56.400 -0.049 0.000 0.806 366 E CB -0.263 29.407 29.700 -0.051 0.000 0.750 366 E HN 0.529 nan 8.360 nan 0.000 0.458 367 L N 0.327 121.467 121.223 -0.138 0.000 1.994 367 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 367 L C 2.023 178.884 176.870 -0.014 0.000 1.071 367 L CA 1.736 56.501 54.840 -0.126 0.000 0.745 367 L CB -0.624 41.315 42.059 -0.199 0.000 0.892 367 L HN 0.193 nan 8.230 nan 0.000 0.431 368 Y N -0.598 119.686 120.300 -0.028 0.000 2.224 368 Y HA -0.249 4.301 4.550 -0.000 0.000 0.289 368 Y C 2.537 178.448 175.900 0.018 0.000 1.146 368 Y CA 0.322 58.411 58.100 -0.019 0.000 1.182 368 Y CB -0.527 37.960 38.460 0.045 0.000 0.983 368 Y HN 0.403 nan 8.280 nan 0.000 0.524 369 A N 0.498 123.427 122.820 0.181 0.000 1.902 369 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 369 A C 2.139 179.769 177.584 0.077 0.000 1.181 369 A CA 1.719 53.826 52.037 0.118 0.000 0.623 369 A CB -0.494 18.548 19.000 0.069 0.000 0.818 369 A HN 0.356 nan 8.150 nan 0.000 0.443 370 K N -0.584 119.835 120.400 0.032 0.000 1.985 370 K HA -0.081 4.239 4.320 -0.000 0.000 0.210 370 K C 1.963 178.546 176.600 -0.029 0.000 1.047 370 K CA 1.626 57.914 56.287 0.002 0.000 0.932 370 K CB -0.354 32.120 32.500 -0.043 0.000 0.716 370 K HN 0.300 nan 8.250 nan 0.000 0.439 371 V N 1.623 121.455 119.914 -0.136 0.000 2.358 371 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 371 V C 2.123 178.171 176.094 -0.078 0.000 1.047 371 V CA 1.546 63.722 62.300 -0.207 0.000 1.035 371 V CB -0.334 31.332 31.823 -0.262 0.000 0.658 371 V HN 0.283 nan 8.190 nan 0.000 0.452 372 L N 0.341 121.558 121.223 -0.010 0.000 2.492 372 L HA 0.267 4.607 4.340 -0.000 0.000 0.223 372 L C 1.665 178.683 176.870 0.247 0.000 1.132 372 L CA 0.798 55.682 54.840 0.074 0.000 0.850 372 L CB -0.655 41.521 42.059 0.195 0.000 0.966 372 L HN 0.563 nan 8.230 nan 0.000 0.454 373 G N 0.675 109.574 108.800 0.165 0.000 2.295 373 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.287 373 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.287 373 G C -0.065 174.927 174.900 0.154 0.000 1.055 373 G CA 0.413 45.607 45.100 0.157 0.000 0.922 373 G HN 0.334 nan 8.290 nan 0.000 0.503 374 S N -0.846 114.940 115.700 0.144 0.000 2.614 374 S HA 0.503 4.973 4.470 -0.000 0.000 0.288 374 S C 1.208 175.785 174.600 -0.039 0.000 1.137 374 S CA -0.784 57.452 58.200 0.060 0.000 0.992 374 S CB 1.817 65.086 63.200 0.114 0.000 1.026 374 S HN 0.240 nan 8.310 nan 0.000 0.486 375 L N 1.824 123.001 121.223 -0.076 0.000 2.265 375 L HA -0.076 4.264 4.340 -0.000 0.000 0.215 375 L C 2.199 178.965 176.870 -0.173 0.000 1.117 375 L CA 1.137 55.927 54.840 -0.084 0.000 0.782 375 L CB -0.380 41.644 42.059 -0.059 0.000 0.914 375 L HN 0.714 nan 8.230 nan 0.000 0.441 376 E N 0.490 120.458 120.200 -0.386 0.000 2.204 376 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 376 E C 2.248 178.469 176.600 -0.632 0.000 0.990 376 E CA 0.935 56.941 56.400 -0.657 0.000 0.821 376 E CB -0.085 28.875 29.700 -1.234 0.000 0.750 376 E HN 0.520 nan 8.360 nan 0.000 0.477 377 A N 0.640 123.199 122.820 -0.434 0.000 2.121 377 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 377 A C 1.893 179.656 177.584 0.297 0.000 1.154 377 A CA 0.726 52.806 52.037 0.071 0.000 0.679 377 A CB -0.273 18.891 19.000 0.273 0.000 0.795 377 A HN 0.167 nan 8.150 nan 0.000 0.458 378 L N -1.267 120.031 121.223 0.126 0.000 2.591 378 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 378 L C 0.480 177.432 176.870 0.136 0.000 1.133 378 L CA 0.292 55.201 54.840 0.116 0.000 0.880 378 L CB 0.028 42.112 42.059 0.042 0.000 1.033 378 L HN 0.216 nan 8.230 nan 0.000 0.450 379 E N 0.863 121.191 120.200 0.214 0.000 3.588 379 E HA 0.187 4.537 4.350 -0.000 0.000 0.213 379 E C -2.248 174.512 176.600 0.266 0.000 1.168 379 E CA -1.802 54.710 56.400 0.188 0.000 1.254 379 E CB 0.617 30.387 29.700 0.116 0.000 1.302 379 E HN 0.043 nan 8.360 nan 0.000 0.429 380 P HA -0.045 nan 4.420 nan 0.000 0.271 380 P C 0.802 178.131 177.300 0.050 0.000 1.218 380 P CA -0.015 63.051 63.100 -0.057 0.000 0.780 380 P CB 1.604 33.238 31.700 -0.111 0.000 0.901 381 V N -1.399 118.562 119.914 0.078 0.000 3.565 381 V HA 0.283 4.403 4.120 -0.000 0.000 0.260 381 V C 0.449 176.671 176.094 0.214 0.000 1.231 381 V CA 0.878 63.261 62.300 0.137 0.000 1.100 381 V CB -1.134 30.773 31.823 0.141 0.000 0.807 381 V HN 0.659 nan 8.190 nan 0.000 0.454 382 H N -1.165 117.970 119.070 0.109 0.000 3.024 382 H HA 0.609 5.165 4.556 -0.000 0.000 0.324 382 H C -2.304 173.229 175.328 0.342 0.000 1.347 382 H CA -0.780 55.349 56.048 0.136 0.000 1.182 382 H CB 1.879 31.613 29.762 -0.047 0.000 1.889 382 H HN 0.162 nan 8.280 nan 0.000 0.528 383 Y N 1.966 121.986 120.300 -0.467 0.000 2.433 383 Y HA 0.514 5.063 4.550 -0.000 0.000 0.337 383 Y C -1.614 174.135 175.900 -0.251 0.000 1.026 383 Y CA -0.632 57.361 58.100 -0.178 0.000 1.037 383 Y CB 1.622 40.011 38.460 -0.119 0.000 1.245 383 Y HN 0.610 nan 8.280 nan 0.000 0.443 384 E N 4.573 124.479 120.200 -0.490 0.000 2.317 384 E HA 0.438 4.788 4.350 -0.000 0.000 0.270 384 E C -1.461 174.783 176.600 -0.594 0.000 0.885 384 E CA -0.795 55.341 56.400 -0.440 0.000 0.760 384 E CB 2.834 32.516 29.700 -0.030 0.000 1.227 384 E HN 0.781 nan 8.360 nan 0.000 0.434 385 E N 0.366 120.325 120.200 -0.402 0.000 2.407 385 E HA 0.681 5.031 4.350 -0.000 0.000 0.279 385 E C -1.279 175.275 176.600 -0.077 0.000 1.012 385 E CA -1.083 55.179 56.400 -0.230 0.000 0.800 385 E CB 2.152 31.685 29.700 -0.278 0.000 1.276 385 E HN 0.092 nan 8.360 nan 0.000 0.452 386 K N 1.328 121.732 120.400 0.007 0.000 2.581 386 K HA 0.334 4.654 4.320 -0.000 0.000 0.249 386 K C -1.855 174.713 176.600 -0.054 0.000 0.966 386 K CA -0.592 55.642 56.287 -0.088 0.000 0.811 386 K CB 1.597 34.011 32.500 -0.143 0.000 1.223 386 K HN 0.539 nan 8.250 nan 0.000 0.438 387 N N 4.079 122.708 118.700 -0.117 0.000 2.437 387 N HA 0.130 4.870 4.740 -0.000 0.000 0.243 387 N C -0.169 175.282 175.510 -0.098 0.000 1.041 387 N CA -0.268 52.771 53.050 -0.018 0.000 0.940 387 N CB 0.287 38.772 38.487 -0.004 0.000 1.133 387 N HN 0.665 nan 8.380 nan 0.000 0.506 388 W N 2.175 123.518 121.300 0.071 0.000 2.678 388 W HA 0.051 4.711 4.660 -0.000 0.000 0.256 388 W C 2.019 178.558 176.519 0.034 0.000 1.280 388 W CA -0.058 57.324 57.345 0.062 0.000 1.345 388 W CB -0.181 29.331 29.460 0.086 0.000 1.118 388 W HN 0.588 nan 8.180 nan 0.000 0.629 389 C N 0.438 119.847 119.300 0.181 0.000 2.419 389 C HA -0.170 4.290 4.460 -0.000 0.000 0.283 389 C C 2.300 177.319 174.990 0.049 0.000 1.373 389 C CA 1.478 60.558 59.018 0.103 0.000 1.781 389 C CB -1.491 26.293 27.740 0.073 0.000 1.886 389 C HN 0.497 nan 8.230 nan 0.000 0.520 390 E N 0.710 120.918 120.200 0.014 0.000 2.479 390 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 390 E C -0.112 176.462 176.600 -0.043 0.000 1.049 390 E CA 0.264 56.649 56.400 -0.026 0.000 0.870 390 E CB -0.148 29.523 29.700 -0.047 0.000 0.944 390 E HN 0.486 nan 8.360 nan 0.000 0.492 391 E N 2.179 122.372 120.200 -0.012 0.000 2.129 391 E HA -0.016 4.334 4.350 -0.000 0.000 0.283 391 E C 0.490 177.075 176.600 -0.025 0.000 1.080 391 E CA -0.014 56.382 56.400 -0.006 0.000 0.867 391 E CB 1.552 31.303 29.700 0.086 0.000 1.056 391 E HN 0.358 nan 8.360 nan 0.000 0.404 392 Q N 3.050 122.772 119.800 -0.129 0.000 2.135 392 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 392 Q C 0.369 176.131 176.000 -0.397 0.000 0.981 392 Q CA 1.724 57.328 55.803 -0.331 0.000 0.856 392 Q CB 0.069 28.474 28.738 -0.554 0.000 0.902 392 Q HN 0.601 nan 8.270 nan 0.000 0.425 393 Y N -0.970 119.359 120.300 0.049 0.000 2.524 393 Y HA 0.282 4.832 4.550 -0.000 0.000 0.266 393 Y C 1.460 177.420 175.900 0.100 0.000 1.180 393 Y CA -0.279 57.859 58.100 0.064 0.000 1.244 393 Y CB 0.920 39.410 38.460 0.050 0.000 1.125 393 Y HN 0.081 nan 8.280 nan 0.000 0.524 394 S N -1.570 114.256 115.700 0.210 0.000 2.807 394 S HA 0.301 4.771 4.470 -0.000 0.000 0.247 394 S C 1.831 176.516 174.600 0.143 0.000 1.078 394 S CA 0.573 58.904 58.200 0.219 0.000 0.867 394 S CB 0.584 63.999 63.200 0.360 0.000 0.797 394 S HN 0.521 nan 8.310 nan 0.000 0.515 395 G N 0.991 109.857 108.800 0.110 0.000 2.217 395 G HA2 0.118 4.078 3.960 -0.000 0.000 0.246 395 G HA3 0.118 4.078 3.960 -0.000 0.000 0.246 395 G C 0.523 175.469 174.900 0.077 0.000 0.990 395 G CA 0.077 45.210 45.100 0.056 0.000 0.627 395 G HN 1.404 nan 8.290 nan 0.000 0.522 396 G N -2.267 106.621 108.800 0.147 0.000 2.320 396 G HA2 0.497 4.457 3.960 -0.000 0.000 0.274 396 G HA3 0.497 4.457 3.960 -0.000 0.000 0.274 396 G C -0.894 174.091 174.900 0.142 0.000 1.324 396 G CA 0.302 45.498 45.100 0.159 0.000 0.957 396 G HN 1.564 nan 8.290 nan 0.000 0.481 397 C N -1.617 117.715 119.300 0.053 0.000 3.307 397 C HA 0.587 5.047 4.460 -0.000 0.000 0.333 397 C C 0.755 175.601 174.990 -0.240 0.000 1.291 397 C CA -0.647 58.333 59.018 -0.063 0.000 1.273 397 C CB 0.712 28.332 27.740 -0.200 0.000 1.580 397 C HN 0.736 nan 8.230 nan 0.000 0.481 398 Y N 0.656 120.887 120.300 -0.116 0.000 2.337 398 Y HA 0.235 4.785 4.550 -0.000 0.000 0.293 398 Y C 1.587 177.451 175.900 -0.060 0.000 1.123 398 Y CA 1.198 59.199 58.100 -0.164 0.000 1.201 398 Y CB -0.399 37.933 38.460 -0.213 0.000 1.011 398 Y HN 0.682 nan 8.280 nan 0.000 0.545 399 T N -1.796 112.841 114.554 0.138 0.000 2.731 399 T HA 0.354 4.704 4.350 -0.000 0.000 0.300 399 T C -0.770 174.040 174.700 0.183 0.000 1.283 399 T CA -0.710 61.513 62.100 0.205 0.000 1.005 399 T CB 1.130 70.208 68.868 0.350 0.000 1.420 399 T HN -0.142 nan 8.240 nan 0.000 0.503 400 T N 2.804 117.484 114.554 0.210 0.000 2.814 400 T HA 0.451 4.801 4.350 -0.000 0.000 0.297 400 T C -0.770 173.986 174.700 0.094 0.000 0.956 400 T CA 0.090 62.227 62.100 0.061 0.000 1.123 400 T CB -0.488 68.415 68.868 0.060 0.000 0.902 400 T HN 0.467 nan 8.240 nan 0.000 0.528 401 Y N 1.221 121.338 120.300 -0.306 0.000 2.496 401 Y HA 0.790 5.340 4.550 -0.000 0.000 0.331 401 Y C -1.208 174.164 175.900 -0.879 0.000 1.140 401 Y CA -2.216 55.346 58.100 -0.897 0.000 1.166 401 Y CB 0.724 38.764 38.460 -0.700 0.000 1.249 401 Y HN 0.387 nan 8.280 nan 0.000 0.479 402 F N 3.147 122.311 119.950 -1.310 0.000 2.388 402 F HA 0.565 5.092 4.527 -0.000 0.000 0.358 402 F C -2.310 173.376 175.800 -0.190 0.000 1.122 402 F CA -2.839 54.782 58.000 -0.632 0.000 1.056 402 F CB 1.470 40.164 39.000 -0.511 0.000 1.155 402 F HN 0.363 nan 8.300 nan 0.000 0.461 403 P HA 0.121 nan 4.420 nan 0.000 0.272 403 P C -2.549 174.847 177.300 0.160 0.000 1.240 403 P CA -1.205 61.967 63.100 0.121 0.000 0.791 403 P CB -0.145 31.576 31.700 0.034 0.000 0.978 404 P HA -0.043 nan 4.420 nan 0.000 0.262 404 P C 0.882 178.273 177.300 0.152 0.000 1.182 404 P CA 1.274 64.475 63.100 0.169 0.000 0.761 404 P CB -0.064 31.718 31.700 0.137 0.000 0.795 405 G N 2.952 111.857 108.800 0.175 0.000 2.213 405 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 405 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 405 G C 0.775 175.794 174.900 0.199 0.000 0.991 405 G CA 0.080 45.275 45.100 0.158 0.000 0.629 405 G HN 0.430 nan 8.290 nan 0.000 0.517 406 I N 0.184 120.903 120.570 0.249 0.000 2.494 406 I HA 0.192 4.362 4.170 -0.000 0.000 0.250 406 I C 2.609 178.982 176.117 0.426 0.000 1.112 406 I CA 1.147 62.652 61.300 0.340 0.000 1.438 406 I CB -1.220 36.897 38.000 0.194 0.000 1.111 406 I HN 0.257 nan 8.210 nan 0.000 0.431 407 L N 1.221 122.690 121.223 0.410 0.000 2.079 407 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 407 L C 2.593 179.567 176.870 0.173 0.000 1.081 407 L CA 2.425 57.401 54.840 0.227 0.000 0.752 407 L CB -0.917 41.173 42.059 0.052 0.000 0.896 407 L HN 0.420 nan 8.230 nan 0.000 0.433 408 T N -4.426 110.227 114.554 0.166 0.000 2.951 408 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 408 T C 1.769 176.433 174.700 -0.061 0.000 1.073 408 T CA 0.776 62.938 62.100 0.102 0.000 1.134 408 T CB -0.235 68.697 68.868 0.106 0.000 0.884 408 T HN 0.333 nan 8.240 nan 0.000 0.479 409 Q N -0.151 119.608 119.800 -0.068 0.000 2.250 409 Q HA 0.147 4.487 4.340 -0.000 0.000 0.200 409 Q C 0.948 176.604 176.000 -0.573 0.000 0.941 409 Q CA 1.084 56.691 55.803 -0.327 0.000 0.872 409 Q CB 0.076 28.609 28.738 -0.342 0.000 0.965 409 Q HN 0.765 nan 8.270 nan 0.000 0.480 410 Y N -1.785 118.448 120.300 -0.112 0.000 2.499 410 Y HA 0.277 4.827 4.550 -0.000 0.000 0.253 410 Y C 1.990 177.770 175.900 -0.201 0.000 1.105 410 Y CA 0.074 58.090 58.100 -0.140 0.000 1.240 410 Y CB 0.148 38.565 38.460 -0.072 0.000 1.289 410 Y HN 0.073 nan 8.280 nan 0.000 0.534 411 G N 0.824 109.545 108.800 -0.131 0.000 2.442 411 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 411 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 411 G C 1.682 176.125 174.900 -0.761 0.000 1.141 411 G CA 0.889 45.825 45.100 -0.274 0.000 0.763 411 G HN 0.280 nan 8.290 nan 0.000 0.554 412 R N -0.581 119.120 120.500 -1.332 0.000 2.170 412 R HA -0.056 4.284 4.340 -0.000 0.000 0.242 412 R C 2.408 178.485 176.300 -0.371 0.000 1.145 412 R CA 1.081 56.562 56.100 -1.032 0.000 0.984 412 R CB -0.276 29.538 30.300 -0.808 0.000 0.869 412 R HN 0.346 nan 8.270 nan 0.000 0.455 413 V N 0.780 120.528 119.914 -0.278 0.000 3.235 413 V HA -0.091 4.029 4.120 -0.000 0.000 0.259 413 V C 2.098 178.100 176.094 -0.154 0.000 1.133 413 V CA 0.692 62.892 62.300 -0.166 0.000 1.128 413 V CB -0.169 31.576 31.823 -0.130 0.000 0.757 413 V HN 0.327 nan 8.190 nan 0.000 0.469 414 L N 0.908 122.078 121.223 -0.088 0.000 1.997 414 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 414 L C 2.355 179.177 176.870 -0.080 0.000 1.074 414 L CA 2.333 57.144 54.840 -0.049 0.000 0.763 414 L CB -0.208 41.924 42.059 0.121 0.000 0.890 414 L HN 0.464 nan 8.230 nan 0.000 0.434 415 R N -0.900 119.644 120.500 0.074 0.000 2.577 415 R HA 0.158 4.498 4.340 -0.000 0.000 0.344 415 R C 0.459 176.891 176.300 0.221 0.000 1.037 415 R CA -0.228 55.993 56.100 0.200 0.000 1.102 415 R CB -0.048 30.434 30.300 0.304 0.000 1.313 415 R HN 0.236 nan 8.270 nan 0.000 0.561 416 Q N 2.760 122.619 119.800 0.098 0.000 2.271 416 Q HA 0.175 4.515 4.340 -0.000 0.000 0.273 416 Q C -2.076 174.021 176.000 0.161 0.000 1.051 416 Q CA -2.079 53.781 55.803 0.094 0.000 0.901 416 Q CB 0.834 29.575 28.738 0.006 0.000 1.174 416 Q HN 0.048 nan 8.270 nan 0.000 0.385 417 P HA -0.055 nan 4.420 nan 0.000 0.265 417 P C -1.204 176.076 177.300 -0.033 0.000 1.193 417 P CA 0.045 63.068 63.100 -0.128 0.000 0.765 417 P CB 0.613 31.988 31.700 -0.542 0.000 0.823 418 V N 3.753 123.676 119.914 0.015 0.000 2.277 418 V HA 0.118 4.238 4.120 -0.000 0.000 0.269 418 V C 0.843 176.901 176.094 -0.062 0.000 1.036 418 V CA 0.220 62.525 62.300 0.009 0.000 0.821 418 V CB -0.117 31.750 31.823 0.074 0.000 1.052 418 V HN 0.774 nan 8.190 nan 0.000 0.462 419 D N 4.204 124.571 120.400 -0.054 0.000 4.372 419 D HA -0.320 4.320 4.640 -0.000 0.000 0.169 419 D C 1.384 177.678 176.300 -0.009 0.000 0.680 419 D CA 2.514 56.503 54.000 -0.019 0.000 1.152 419 D CB -0.332 40.470 40.800 0.004 0.000 0.585 419 D HN 0.552 nan 8.370 nan 0.000 0.493 420 R N -0.291 120.233 120.500 0.038 0.000 2.472 420 R HA 0.449 4.789 4.340 -0.000 0.000 0.279 420 R C -0.251 176.175 176.300 0.210 0.000 0.953 420 R CA -0.164 56.063 56.100 0.212 0.000 1.088 420 R CB 0.450 30.808 30.300 0.096 0.000 1.197 420 R HN 0.296 nan 8.270 nan 0.000 0.536 421 I N 1.325 121.866 120.570 -0.050 0.000 2.315 421 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 421 I C -0.559 175.260 176.117 -0.498 0.000 1.006 421 I CA -0.625 60.563 61.300 -0.186 0.000 1.265 421 I CB 0.619 38.466 38.000 -0.255 0.000 1.387 421 I HN -0.094 nan 8.210 nan 0.000 0.475 422 Y N 5.370 125.453 120.300 -0.363 0.000 2.496 422 Y HA 0.549 5.099 4.550 -0.000 0.000 0.331 422 Y C -0.486 175.116 175.900 -0.498 0.000 1.140 422 Y CA -0.736 57.183 58.100 -0.301 0.000 1.166 422 Y CB 1.392 39.786 38.460 -0.109 0.000 1.249 422 Y HN 0.281 nan 8.280 nan 0.000 0.479 423 F N 1.128 121.185 119.950 0.178 0.000 2.449 423 F HA 0.721 5.248 4.527 -0.000 0.000 0.342 423 F C 0.345 176.222 175.800 0.128 0.000 1.127 423 F CA -0.566 57.513 58.000 0.131 0.000 0.975 423 F CB 1.197 40.257 39.000 0.101 0.000 1.146 423 F HN 0.588 nan 8.300 nan 0.000 0.444 424 A N 2.137 125.112 122.820 0.258 0.000 3.200 424 A HA 0.976 5.296 4.320 -0.000 0.000 0.208 424 A C 0.200 177.915 177.584 0.218 0.000 1.360 424 A CA -0.515 51.636 52.037 0.191 0.000 0.892 424 A CB 0.406 19.475 19.000 0.114 0.000 1.600 424 A HN 1.526 nan 8.150 nan 0.000 0.501 425 G N -2.280 106.627 108.800 0.178 0.000 2.895 425 G HA2 0.132 4.092 3.960 -0.000 0.000 0.686 425 G HA3 0.132 4.092 3.960 -0.000 0.000 0.686 425 G C 0.411 175.440 174.900 0.213 0.000 1.108 425 G CA 0.621 45.833 45.100 0.187 0.000 0.761 425 G HN 1.617 nan 8.290 nan 0.000 0.611 426 T N 0.235 114.915 114.554 0.211 0.000 2.822 426 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 426 T C 2.073 176.968 174.700 0.326 0.000 1.064 426 T CA 2.748 64.998 62.100 0.251 0.000 1.131 426 T CB -0.150 68.860 68.868 0.236 0.000 0.858 426 T HN 0.615 nan 8.240 nan 0.000 0.483 427 E N 0.365 120.763 120.200 0.330 0.000 2.268 427 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 427 E C 2.241 179.090 176.600 0.416 0.000 0.995 427 E CA 1.439 58.084 56.400 0.409 0.000 0.836 427 E CB -0.130 29.778 29.700 0.346 0.000 0.763 427 E HN 0.706 nan 8.360 nan 0.000 0.491 428 T N -2.606 112.157 114.554 0.349 0.000 3.086 428 T HA 0.458 4.808 4.350 -0.000 0.000 0.250 428 T C 0.805 175.735 174.700 0.384 0.000 1.074 428 T CA -0.008 62.299 62.100 0.345 0.000 0.988 428 T CB 0.212 69.261 68.868 0.301 0.000 0.988 428 T HN 0.084 nan 8.240 nan 0.000 0.530 429 A N 1.727 124.777 122.820 0.383 0.000 2.346 429 A HA 0.542 4.862 4.320 -0.000 0.000 0.252 429 A C 1.515 179.365 177.584 0.443 0.000 1.089 429 A CA 0.116 52.384 52.037 0.386 0.000 0.797 429 A CB 0.345 19.535 19.000 0.315 0.000 1.047 429 A HN 0.505 nan 8.150 nan 0.000 0.494 430 T N -2.492 112.306 114.554 0.407 0.000 3.010 430 T HA 0.241 4.591 4.350 -0.000 0.000 0.257 430 T C 0.271 175.084 174.700 0.188 0.000 1.020 430 T CA 0.715 63.010 62.100 0.326 0.000 0.938 430 T CB -0.369 68.636 68.868 0.227 0.000 1.049 430 T HN 0.756 nan 8.240 nan 0.000 0.522 431 H N -1.195 117.908 119.070 0.055 0.000 2.934 431 H HA 0.289 4.845 4.556 -0.000 0.000 0.340 431 H C -1.028 174.319 175.328 0.031 0.000 1.008 431 H CA -1.190 54.809 56.048 -0.083 0.000 1.317 431 H CB 0.971 30.739 29.762 0.010 0.000 1.670 431 H HN 0.290 nan 8.280 nan 0.000 0.516 432 W N 2.282 123.384 121.300 -0.329 0.000 5.121 432 W HA -0.250 4.410 4.660 0.000 0.000 0.372 432 W C 0.401 176.874 176.519 -0.077 0.000 1.394 432 W CA 0.943 58.043 57.345 -0.407 0.000 0.885 432 W CB -1.585 27.550 29.460 -0.541 0.000 2.520 432 W HN 0.396 nan 8.180 nan 0.000 1.455 433 S N 0.581 116.327 115.700 0.076 0.000 2.552 433 S HA 0.398 4.868 4.470 -0.000 0.000 0.289 433 S C 1.400 176.236 174.600 0.394 0.000 1.304 433 S CA 1.590 59.949 58.200 0.265 0.000 1.063 433 S CB 0.850 64.269 63.200 0.365 0.000 0.848 433 S HN 1.445 nan 8.310 nan 0.000 0.499 434 G N 2.930 112.009 108.800 0.465 0.000 2.195 434 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.246 434 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.246 434 G C -0.185 174.841 174.900 0.210 0.000 0.984 434 G CA 0.397 45.763 45.100 0.443 0.000 0.633 434 G HN 0.690 nan 8.290 nan 0.000 0.525 435 Y N -0.600 119.820 120.300 0.200 0.000 2.602 435 Y HA 0.711 5.261 4.550 -0.000 0.000 0.330 435 Y C 1.994 177.933 175.900 0.066 0.000 1.114 435 Y CA -0.783 57.380 58.100 0.105 0.000 1.182 435 Y CB 0.775 39.280 38.460 0.076 0.000 1.305 435 Y HN -0.031 nan 8.280 nan 0.000 0.502 436 M N -0.168 119.536 119.600 0.174 0.000 2.149 436 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 436 M C 1.838 178.195 176.300 0.096 0.000 1.064 436 M CA 1.865 57.232 55.300 0.111 0.000 1.102 436 M CB -0.240 32.419 32.600 0.098 0.000 1.369 436 M HN 0.776 nan 8.290 nan 0.000 0.408 437 E N 0.871 121.103 120.200 0.054 0.000 2.049 437 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 437 E C 1.972 178.628 176.600 0.094 0.000 1.007 437 E CA 2.154 58.552 56.400 -0.004 0.000 0.809 437 E CB -0.719 28.848 29.700 -0.221 0.000 0.749 437 E HN 0.429 nan 8.360 nan 0.000 0.450 438 G N -0.083 108.824 108.800 0.179 0.000 2.432 438 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 438 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 438 G C 1.695 176.706 174.900 0.185 0.000 1.135 438 G CA 1.054 46.283 45.100 0.214 0.000 0.767 438 G HN 0.478 nan 8.290 nan 0.000 0.550 439 A N 0.282 123.199 122.820 0.162 0.000 1.902 439 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 439 A C 2.608 180.250 177.584 0.097 0.000 1.181 439 A CA 1.871 53.987 52.037 0.131 0.000 0.623 439 A CB -0.622 18.445 19.000 0.112 0.000 0.818 439 A HN 0.255 nan 8.150 nan 0.000 0.443 440 V N 0.086 120.048 119.914 0.081 0.000 2.295 440 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 440 V C 2.539 178.667 176.094 0.057 0.000 1.049 440 V CA 2.231 64.564 62.300 0.056 0.000 1.024 440 V CB -0.794 31.055 31.823 0.043 0.000 0.648 440 V HN 0.727 nan 8.190 nan 0.000 0.447 441 E N 0.378 120.630 120.200 0.087 0.000 2.049 441 E HA -0.288 4.062 4.350 -0.000 0.000 0.198 441 E C 2.243 178.874 176.600 0.052 0.000 1.007 441 E CA 1.823 58.281 56.400 0.096 0.000 0.809 441 E CB -0.188 29.615 29.700 0.172 0.000 0.749 441 E HN 0.549 nan 8.360 nan 0.000 0.450 442 A N 0.646 123.520 122.820 0.089 0.000 1.898 442 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 442 A C 2.428 180.029 177.584 0.027 0.000 1.181 442 A CA 1.696 53.776 52.037 0.073 0.000 0.620 442 A CB -1.074 18.018 19.000 0.152 0.000 0.819 442 A HN 0.449 nan 8.150 nan 0.000 0.442 443 G N -0.288 108.535 108.800 0.039 0.000 2.446 443 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 443 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 443 G C 1.438 176.324 174.900 -0.024 0.000 1.168 443 G CA 1.035 46.146 45.100 0.018 0.000 0.771 443 G HN 0.654 nan 8.290 nan 0.000 0.551 444 E N -0.301 119.880 120.200 -0.032 0.000 2.152 444 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 444 E C 2.566 179.093 176.600 -0.122 0.000 0.983 444 E CA 0.131 56.496 56.400 -0.059 0.000 0.818 444 E CB -0.083 29.596 29.700 -0.034 0.000 0.758 444 E HN 0.214 nan 8.360 nan 0.000 0.467 445 R N 1.247 121.639 120.500 -0.180 0.000 2.066 445 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 445 R C 2.139 178.273 176.300 -0.276 0.000 1.131 445 R CA 1.455 57.342 56.100 -0.355 0.000 0.955 445 R CB -0.321 29.606 30.300 -0.622 0.000 0.851 445 R HN 0.147 nan 8.270 nan 0.000 0.432 446 A N 0.854 123.581 122.820 -0.155 0.000 1.902 446 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 446 A C 2.411 179.898 177.584 -0.163 0.000 1.181 446 A CA 1.835 53.821 52.037 -0.084 0.000 0.623 446 A CB -0.720 18.287 19.000 0.013 0.000 0.818 446 A HN 0.510 nan 8.150 nan 0.000 0.443 447 A N -0.280 122.456 122.820 -0.141 0.000 1.908 447 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 447 A C 2.256 179.723 177.584 -0.195 0.000 1.181 447 A CA 1.604 53.548 52.037 -0.154 0.000 0.627 447 A CB -0.460 18.483 19.000 -0.095 0.000 0.818 447 A HN 0.544 nan 8.150 nan 0.000 0.445 448 R N -0.606 119.786 120.500 -0.180 0.000 2.148 448 R HA -0.067 4.273 4.340 -0.000 0.000 0.223 448 R C 2.029 178.221 176.300 -0.180 0.000 1.088 448 R CA 1.193 57.195 56.100 -0.163 0.000 0.985 448 R CB -0.221 29.989 30.300 -0.149 0.000 0.880 448 R HN 0.673 nan 8.270 nan 0.000 0.451 449 E N 0.560 120.618 120.200 -0.236 0.000 2.110 449 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 449 E C 1.913 178.236 176.600 -0.462 0.000 0.988 449 E CA 1.044 57.306 56.400 -0.230 0.000 0.804 449 E CB -0.018 29.596 29.700 -0.143 0.000 0.745 449 E HN 0.341 nan 8.360 nan 0.000 0.458 450 I N 0.814 120.975 120.570 -0.681 0.000 2.353 450 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 450 I C 2.252 178.047 176.117 -0.536 0.000 1.119 450 I CA 0.677 61.453 61.300 -0.874 0.000 1.417 450 I CB -0.081 37.441 38.000 -0.796 0.000 1.078 450 I HN 0.114 nan 8.210 nan 0.000 0.421 451 L N 0.007 121.046 121.223 -0.307 0.000 2.079 451 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 451 L C 2.715 179.516 176.870 -0.114 0.000 1.081 451 L CA 1.607 56.343 54.840 -0.173 0.000 0.752 451 L CB -0.877 41.118 42.059 -0.108 0.000 0.896 451 L HN 0.364 nan 8.230 nan 0.000 0.433 452 H N 0.132 119.096 119.070 -0.177 0.000 2.357 452 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 452 H C 2.105 177.373 175.328 -0.100 0.000 1.082 452 H CA 1.427 57.411 56.048 -0.107 0.000 1.342 452 H CB 0.079 29.798 29.762 -0.072 0.000 1.389 452 H HN 0.246 nan 8.280 nan 0.000 0.511 453 A N 0.302 122.949 122.820 -0.288 0.000 2.070 453 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 453 A C 2.166 179.646 177.584 -0.174 0.000 1.159 453 A CA 1.602 53.479 52.037 -0.266 0.000 0.656 453 A CB -0.558 18.261 19.000 -0.302 0.000 0.800 453 A HN 0.564 nan 8.150 nan 0.000 0.453 454 M N -1.435 118.052 119.600 -0.188 0.000 2.495 454 M HA 0.191 4.671 4.480 -0.000 0.000 0.237 454 M C 1.258 177.517 176.300 -0.068 0.000 1.131 454 M CA 0.703 55.967 55.300 -0.061 0.000 1.032 454 M CB 0.344 32.919 32.600 -0.042 0.000 1.513 454 M HN 0.578 nan 8.290 nan 0.000 0.488 455 G N 1.265 109.989 108.800 -0.128 0.000 2.143 455 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.248 455 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.248 455 G C 0.809 175.681 174.900 -0.047 0.000 0.991 455 G CA 0.589 45.631 45.100 -0.097 0.000 0.689 455 G HN 0.452 nan 8.290 nan 0.000 0.522 456 K N -0.602 119.771 120.400 -0.045 0.000 2.262 456 K HA 0.375 4.695 4.320 -0.000 0.000 0.200 456 K C 1.261 177.860 176.600 -0.001 0.000 1.049 456 K CA 1.217 57.490 56.287 -0.023 0.000 0.979 456 K CB 0.180 32.660 32.500 -0.035 0.000 0.773 456 K HN 0.806 nan 8.250 nan 0.000 0.474 457 I N -2.252 118.332 120.570 0.025 0.000 2.865 457 I HA 0.469 4.639 4.170 -0.000 0.000 0.302 457 I C -2.923 173.278 176.117 0.140 0.000 1.140 457 I CA -3.026 58.308 61.300 0.056 0.000 1.021 457 I CB 2.252 40.271 38.000 0.032 0.000 1.233 457 I HN -0.247 nan 8.210 nan 0.000 0.427 458 P HA 0.101 nan 4.420 nan 0.000 0.274 458 P C 0.237 177.576 177.300 0.066 0.000 1.237 458 P CA -0.037 63.144 63.100 0.135 0.000 0.793 458 P CB 1.144 32.886 31.700 0.069 0.000 0.977 459 E N 0.783 120.954 120.200 -0.049 0.000 2.130 459 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 459 E C 1.223 177.758 176.600 -0.109 0.000 0.998 459 E CA 1.452 57.645 56.400 -0.346 0.000 0.806 459 E CB -0.192 29.345 29.700 -0.271 0.000 0.738 459 E HN 0.423 nan 8.360 nan 0.000 0.459 460 D N 0.535 120.923 120.400 -0.021 0.000 2.254 460 D HA -0.197 4.443 4.640 -0.000 0.000 0.201 460 D C 1.137 177.462 176.300 0.041 0.000 0.998 460 D CA 1.156 55.169 54.000 0.022 0.000 0.885 460 D CB 0.018 40.833 40.800 0.025 0.000 0.915 460 D HN 0.284 nan 8.370 nan 0.000 0.460 461 E N -1.076 119.136 120.200 0.020 0.000 2.474 461 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 461 E C 1.981 178.583 176.600 0.004 0.000 1.039 461 E CA -0.326 56.088 56.400 0.023 0.000 0.881 461 E CB 0.444 30.154 29.700 0.017 0.000 0.970 461 E HN 0.321 nan 8.360 nan 0.000 0.486 462 I N -0.244 120.320 120.570 -0.010 0.000 2.252 462 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 462 I C 0.305 176.313 176.117 -0.182 0.000 1.102 462 I CA 0.970 62.203 61.300 -0.112 0.000 1.385 462 I CB 0.128 38.051 38.000 -0.128 0.000 1.064 462 I HN 0.124 nan 8.210 nan 0.000 0.414 463 W N 1.807 123.106 121.300 -0.001 0.000 2.283 463 W HA 0.480 5.140 4.660 -0.000 0.000 0.317 463 W C -0.060 176.467 176.519 0.014 0.000 1.042 463 W CA -0.341 57.014 57.345 0.018 0.000 1.348 463 W CB 0.461 29.933 29.460 0.021 0.000 1.216 463 W HN -0.055 nan 8.180 nan 0.000 0.404 464 Q N 2.046 121.951 119.800 0.176 0.000 2.282 464 Q HA 0.390 4.730 4.340 -0.000 0.000 0.260 464 Q C 0.499 176.577 176.000 0.130 0.000 0.964 464 Q CA -0.484 55.391 55.803 0.120 0.000 0.880 464 Q CB 1.658 30.432 28.738 0.061 0.000 1.286 464 Q HN 0.528 nan 8.270 nan 0.000 0.445 465 S N 1.750 117.512 115.700 0.104 0.000 2.624 465 S HA 0.342 4.812 4.470 -0.000 0.000 0.263 465 S C -0.270 174.376 174.600 0.077 0.000 1.287 465 S CA -0.674 57.581 58.200 0.092 0.000 0.990 465 S CB 1.336 64.574 63.200 0.063 0.000 0.950 465 S HN 0.596 nan 8.310 nan 0.000 0.561 466 E N 0.777 121.025 120.200 0.079 0.000 2.224 466 E HA 0.575 4.925 4.350 -0.000 0.000 0.265 466 E C -2.821 173.812 176.600 0.054 0.000 0.878 466 E CA -2.126 54.314 56.400 0.067 0.000 0.759 466 E CB 1.052 30.800 29.700 0.079 0.000 1.164 466 E HN 0.540 nan 8.360 nan 0.000 0.414 467 P HA 0.067 nan 4.420 nan 0.000 0.268 467 P C -0.694 176.625 177.300 0.032 0.000 1.205 467 P CA -0.179 62.940 63.100 0.032 0.000 0.771 467 P CB 0.529 32.244 31.700 0.025 0.000 0.858 468 E N 1.593 121.810 120.200 0.029 0.000 2.413 468 E HA 0.065 4.415 4.350 -0.000 0.000 0.263 468 E C -0.100 176.512 176.600 0.019 0.000 1.015 468 E CA -0.240 56.176 56.400 0.027 0.000 0.916 468 E CB 0.401 30.114 29.700 0.023 0.000 0.947 468 E HN 0.386 nan 8.360 nan 0.000 0.440 469 S N 3.033 118.741 115.700 0.013 0.000 2.537 469 S HA -0.026 4.444 4.470 -0.000 0.000 0.286 469 S C 1.172 175.777 174.600 0.007 0.000 1.299 469 S CA -0.165 58.040 58.200 0.009 0.000 1.067 469 S CB 0.899 64.099 63.200 -0.001 0.000 0.864 469 S HN 0.537 nan 8.310 nan 0.000 0.494 470 V N 2.187 122.106 119.914 0.010 0.000 2.719 470 V HA 0.015 4.135 4.120 -0.000 0.000 0.252 470 V C 1.585 177.683 176.094 0.007 0.000 1.065 470 V CA 1.609 63.914 62.300 0.009 0.000 1.086 470 V CB -0.650 31.180 31.823 0.010 0.000 0.700 470 V HN 0.838 nan 8.190 nan 0.000 0.467 471 D N 1.115 121.520 120.400 0.008 0.000 2.162 471 D HA 0.043 4.683 4.640 -0.000 0.000 0.203 471 D C 0.803 177.101 176.300 -0.003 0.000 0.967 471 D CA 1.433 55.438 54.000 0.007 0.000 0.840 471 D CB 0.511 41.320 40.800 0.015 0.000 0.972 471 D HN 0.528 nan 8.370 nan 0.000 0.482 472 V N 3.546 123.453 119.914 -0.012 0.000 2.320 472 V HA 0.208 4.328 4.120 -0.000 0.000 0.257 472 V C -2.382 173.699 176.094 -0.021 0.000 0.996 472 V CA -1.302 60.981 62.300 -0.027 0.000 0.928 472 V CB 1.141 32.931 31.823 -0.055 0.000 1.169 472 V HN -0.040 nan 8.190 nan 0.000 0.475 473 P HA 0.422 nan 4.420 nan 0.000 0.274 473 P C -0.407 176.890 177.300 -0.005 0.000 1.231 473 P CA -0.048 63.050 63.100 -0.004 0.000 0.790 473 P CB 1.645 33.345 31.700 0.000 0.000 0.951 474 A N 2.839 125.661 122.820 0.004 0.000 2.274 474 A HA 0.326 4.646 4.320 -0.000 0.000 0.309 474 A C 0.273 177.860 177.584 0.006 0.000 1.226 474 A CA -0.550 51.492 52.037 0.008 0.000 0.853 474 A CB 0.233 19.248 19.000 0.025 0.000 1.146 474 A HN 0.449 nan 8.150 nan 0.000 0.518 475 Q N 2.628 122.429 119.800 0.002 0.000 2.293 475 Q HA 0.320 4.660 4.340 -0.000 0.000 0.251 475 Q C -2.240 173.760 176.000 0.000 0.000 0.930 475 Q CA -1.571 54.232 55.803 0.001 0.000 0.893 475 Q CB 0.842 29.579 28.738 -0.002 0.000 1.215 475 Q HN 0.569 nan 8.270 nan 0.000 0.425 476 P HA 0.188 nan 4.420 nan 0.000 0.274 476 P C -0.372 176.923 177.300 -0.008 0.000 1.231 476 P CA -0.345 62.752 63.100 -0.006 0.000 0.790 476 P CB 0.768 32.464 31.700 -0.006 0.000 0.951 477 I N 2.212 122.773 120.570 -0.015 0.000 2.337 477 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 477 I C 1.124 177.233 176.117 -0.013 0.000 1.046 477 I CA 0.082 61.372 61.300 -0.016 0.000 1.324 477 I CB 0.052 38.035 38.000 -0.029 0.000 1.409 477 I HN 0.379 nan 8.210 nan 0.000 0.494 478 T N 2.093 116.645 114.554 -0.003 0.000 2.895 478 T HA 0.726 5.076 4.350 -0.000 0.000 0.283 478 T C 0.117 174.818 174.700 0.002 0.000 1.014 478 T CA -0.725 61.376 62.100 0.002 0.000 1.037 478 T CB 1.851 70.726 68.868 0.012 0.000 1.006 478 T HN 0.640 nan 8.240 nan 0.000 0.468 479 T N -0.786 113.766 114.554 -0.002 0.000 2.841 479 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 479 T C 0.444 175.154 174.700 0.017 0.000 1.000 479 T CA -0.821 61.273 62.100 -0.010 0.000 0.977 479 T CB 1.189 70.029 68.868 -0.046 0.000 0.979 479 T HN 0.959 nan 8.240 nan 0.000 0.446 480 T N 0.519 115.091 114.554 0.029 0.000 2.828 480 T HA 0.301 4.651 4.350 -0.000 0.000 0.290 480 T C 0.895 175.661 174.700 0.110 0.000 1.019 480 T CA -0.770 61.380 62.100 0.083 0.000 1.031 480 T CB 0.366 69.287 68.868 0.088 0.000 1.001 480 T HN 0.540 nan 8.240 nan 0.000 0.531 481 F N 0.923 120.902 119.950 0.049 0.000 2.126 481 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 481 F C 1.900 177.774 175.800 0.124 0.000 1.096 481 F CA 1.264 59.331 58.000 0.110 0.000 1.255 481 F CB -0.521 38.540 39.000 0.102 0.000 0.997 481 F HN 0.497 nan 8.300 nan 0.000 0.479 482 L N 0.634 121.938 121.223 0.134 0.000 2.017 482 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 482 L C 2.382 179.227 176.870 -0.041 0.000 1.073 482 L CA 1.972 56.836 54.840 0.039 0.000 0.745 482 L CB -0.750 41.383 42.059 0.123 0.000 0.894 482 L HN 0.155 nan 8.230 nan 0.000 0.432 483 E N -1.021 119.164 120.200 -0.026 0.000 2.153 483 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 483 E C 2.334 178.835 176.600 -0.166 0.000 0.988 483 E CA 0.930 57.288 56.400 -0.071 0.000 0.811 483 E CB -0.042 29.619 29.700 -0.066 0.000 0.746 483 E HN 0.383 nan 8.360 nan 0.000 0.466 484 R N -0.561 119.781 120.500 -0.263 0.000 2.119 484 R HA -0.017 4.323 4.340 -0.000 0.000 0.222 484 R C 1.621 177.552 176.300 -0.616 0.000 1.088 484 R CA 0.872 56.696 56.100 -0.462 0.000 0.984 484 R CB 0.180 30.125 30.300 -0.592 0.000 0.884 484 R HN 0.278 nan 8.270 nan 0.000 0.447 485 H N -0.943 117.926 119.070 -0.334 0.000 3.046 485 H HA 0.196 4.752 4.556 -0.000 0.000 0.262 485 H C 0.263 175.464 175.328 -0.212 0.000 1.044 485 H CA -0.183 55.664 56.048 -0.335 0.000 1.209 485 H CB 0.564 29.968 29.762 -0.597 0.000 1.507 485 H HN 0.018 nan 8.280 nan 0.000 0.507 486 L N 4.695 125.872 121.223 -0.076 0.000 2.490 486 L HA 0.044 4.384 4.340 -0.000 0.000 0.274 486 L C -1.644 175.200 176.870 -0.042 0.000 1.201 486 L CA -1.351 53.473 54.840 -0.027 0.000 0.869 486 L CB 0.347 42.422 42.059 0.025 0.000 1.123 486 L HN -0.013 nan 8.230 nan 0.000 0.484 487 P HA 0.100 nan 4.420 nan 0.000 0.274 487 P C -0.533 176.720 177.300 -0.079 0.000 1.246 487 P CA -0.559 62.506 63.100 -0.058 0.000 0.795 487 P CB 0.895 32.561 31.700 -0.057 0.000 1.006 488 S N -0.027 115.608 115.700 -0.108 0.000 2.626 488 S HA 0.099 4.569 4.470 -0.000 0.000 0.257 488 S C 1.504 175.969 174.600 -0.225 0.000 1.288 488 S CA -0.554 57.556 58.200 -0.150 0.000 0.980 488 S CB -0.363 62.745 63.200 -0.153 0.000 0.975 488 S HN 0.217 nan 8.310 nan 0.000 0.577 489 V N 2.396 122.104 119.914 -0.342 0.000 2.261 489 V HA -0.058 4.062 4.120 -0.000 0.000 0.246 489 V C -0.446 175.235 176.094 -0.688 0.000 1.047 489 V CA 1.851 63.857 62.300 -0.491 0.000 1.015 489 V CB -1.874 29.627 31.823 -0.537 0.000 0.642 489 V HN 0.805 nan 8.190 nan 0.000 0.446 490 P HA -0.106 nan 4.420 nan 0.000 0.220 490 P C 1.683 178.790 177.300 -0.321 0.000 1.148 490 P CA 1.926 64.604 63.100 -0.705 0.000 0.803 490 P CB -0.239 31.154 31.700 -0.513 0.000 0.782 491 G N 0.509 109.157 108.800 -0.252 0.000 2.402 491 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 491 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 491 G C 1.516 176.339 174.900 -0.127 0.000 1.162 491 G CA 0.394 45.407 45.100 -0.146 0.000 0.777 491 G HN 0.255 nan 8.290 nan 0.000 0.539 492 L N 0.205 121.336 121.223 -0.152 0.000 2.093 492 L HA 0.183 4.523 4.340 -0.000 0.000 0.208 492 L C 2.611 179.416 176.870 -0.109 0.000 1.085 492 L CA 1.144 55.917 54.840 -0.113 0.000 0.755 492 L CB -0.168 41.826 42.059 -0.109 0.000 0.904 492 L HN 0.172 nan 8.230 nan 0.000 0.435 493 L N -1.043 120.086 121.223 -0.157 0.000 2.141 493 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 493 L C 2.714 179.537 176.870 -0.078 0.000 1.094 493 L CA 0.801 55.569 54.840 -0.121 0.000 0.763 493 L CB -0.519 41.438 42.059 -0.169 0.000 0.908 493 L HN 0.189 nan 8.230 nan 0.000 0.437 494 R N -0.268 120.181 120.500 -0.085 0.000 2.115 494 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 494 R C 2.100 178.378 176.300 -0.037 0.000 1.111 494 R CA 1.012 57.082 56.100 -0.049 0.000 0.976 494 R CB -0.294 29.977 30.300 -0.047 0.000 0.870 494 R HN 0.234 nan 8.270 nan 0.000 0.445 495 L N 0.581 121.778 121.223 -0.044 0.000 2.376 495 L HA 0.025 4.365 4.340 -0.000 0.000 0.219 495 L C 1.026 177.882 176.870 -0.025 0.000 1.133 495 L CA 1.024 55.845 54.840 -0.032 0.000 0.816 495 L CB -0.017 42.022 42.059 -0.034 0.000 0.933 495 L HN 0.011 nan 8.230 nan 0.000 0.449 496 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 -0.019 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494