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 2byb_1_A 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 LRLIGLTTI 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 0.000 175.477 175.510 -0.055 0.000 1.280 3 N CA 0.000 52.896 53.050 -0.257 0.000 0.885 3 N CB 0.000 38.400 38.487 -0.144 0.000 1.341 4 K N 1.175 121.572 120.400 -0.006 0.000 2.143 4 K HA 0.560 4.880 4.320 0.000 0.000 0.272 4 K C -0.077 176.561 176.600 0.063 0.000 1.001 4 K CA -0.446 55.861 56.287 0.033 0.000 0.915 4 K CB 1.550 34.056 32.500 0.011 0.000 1.047 4 K HN 0.627 nan 8.250 nan 0.000 0.458 5 C N -1.211 118.132 119.300 0.072 0.000 3.293 5 C HA 0.364 4.824 4.460 0.000 0.000 0.362 5 C C 0.570 175.597 174.990 0.061 0.000 1.539 5 C CA -0.794 58.267 59.018 0.072 0.000 1.201 5 C CB 0.751 28.548 27.740 0.094 0.000 1.770 5 C HN 0.809 nan 8.230 nan 0.000 0.440 6 D N 0.356 120.794 120.400 0.064 0.000 2.144 6 D HA 0.128 4.768 4.640 0.000 0.000 0.207 6 D C 0.292 176.654 176.300 0.104 0.000 0.970 6 D CA 1.665 55.711 54.000 0.077 0.000 0.853 6 D CB 0.164 41.006 40.800 0.070 0.000 1.007 6 D HN 0.451 nan 8.370 nan 0.000 0.469 7 V N 1.592 121.558 119.914 0.087 0.000 2.577 7 V HA 0.233 4.353 4.120 0.000 0.000 0.303 7 V C -0.202 175.923 176.094 0.051 0.000 1.042 7 V CA -0.799 61.553 62.300 0.088 0.000 0.872 7 V CB 2.782 34.646 31.823 0.068 0.000 0.998 7 V HN -0.202 nan 8.190 nan 0.000 0.423 8 V N 5.521 125.462 119.914 0.044 0.000 2.407 8 V HA 0.380 4.500 4.120 0.000 0.000 0.278 8 V C -0.018 176.070 176.094 -0.010 0.000 1.037 8 V CA -0.432 61.865 62.300 -0.006 0.000 0.900 8 V CB 1.779 33.590 31.823 -0.020 0.000 0.983 8 V HN 0.625 nan 8.190 nan 0.000 0.459 9 V N 6.119 126.013 119.914 -0.034 0.000 2.370 9 V HA 0.300 4.420 4.120 0.000 0.000 0.279 9 V C 0.062 176.134 176.094 -0.037 0.000 1.029 9 V CA -0.595 61.693 62.300 -0.021 0.000 0.870 9 V CB 1.638 33.450 31.823 -0.017 0.000 0.984 9 V HN 0.607 nan 8.190 nan 0.000 0.451 10 V N 4.562 124.470 119.914 -0.010 0.000 2.372 10 V HA 0.789 4.909 4.120 0.000 0.000 0.261 10 V C 0.733 176.837 176.094 0.017 0.000 1.055 10 V CA 0.447 62.743 62.300 -0.007 0.000 0.930 10 V CB 0.214 32.049 31.823 0.021 0.000 1.031 10 V HN 1.273 nan 8.190 nan 0.000 0.479 11 G N 3.472 112.268 108.800 -0.006 0.000 3.187 11 G HA2 0.254 4.214 3.960 0.000 0.000 0.682 11 G HA3 0.254 4.214 3.960 0.000 0.000 0.682 11 G C -0.018 174.888 174.900 0.009 0.000 1.266 11 G CA -0.521 44.587 45.100 0.014 0.000 0.902 11 G HN 1.128 nan 8.290 nan 0.000 0.589 12 G N 0.550 109.354 108.800 0.006 0.000 4.291 12 G HA2 0.684 4.644 3.960 0.000 0.000 0.304 12 G HA3 0.684 4.644 3.960 0.000 0.000 0.304 12 G C 0.767 175.686 174.900 0.032 0.000 1.264 12 G CA 0.875 45.980 45.100 0.007 0.000 1.039 12 G HN 1.253 nan 8.290 nan 0.000 0.578 13 G N -0.300 108.530 108.800 0.049 0.000 2.535 13 G HA2 0.407 4.367 3.960 0.000 0.000 0.303 13 G HA3 0.407 4.367 3.960 0.000 0.000 0.303 13 G C 1.185 176.114 174.900 0.049 0.000 1.237 13 G CA -0.861 44.278 45.100 0.064 0.000 0.986 13 G HN 0.125 nan 8.290 nan 0.000 0.494 14 I N -0.351 120.249 120.570 0.050 0.000 2.185 14 I HA -0.272 3.898 4.170 0.000 0.000 0.246 14 I C 3.002 179.144 176.117 0.042 0.000 1.088 14 I CA 1.762 63.084 61.300 0.037 0.000 1.347 14 I CB -0.093 37.933 38.000 0.043 0.000 1.041 14 I HN 0.471 nan 8.210 nan 0.000 0.415 15 S N 0.407 116.144 115.700 0.062 0.000 2.348 15 S HA -0.129 4.341 4.470 0.000 0.000 0.221 15 S C 2.123 176.751 174.600 0.047 0.000 1.033 15 S CA 1.606 59.845 58.200 0.066 0.000 1.010 15 S CB -0.674 62.583 63.200 0.095 0.000 0.891 15 S HN 0.589 nan 8.310 nan 0.000 0.442 16 G N 1.643 110.471 108.800 0.046 0.000 2.440 16 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 16 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 16 G C 1.426 176.331 174.900 0.009 0.000 1.154 16 G CA 1.063 46.180 45.100 0.027 0.000 0.767 16 G HN 0.401 nan 8.290 nan 0.000 0.552 17 M N 1.143 120.746 119.600 0.005 0.000 2.175 17 M HA 0.090 4.570 4.480 0.000 0.000 0.264 17 M C 2.969 179.262 176.300 -0.012 0.000 1.063 17 M CA 1.163 56.456 55.300 -0.012 0.000 1.119 17 M CB -1.277 31.314 32.600 -0.016 0.000 1.377 17 M HN 0.313 nan 8.290 nan 0.000 0.415 18 A N 0.162 122.981 122.820 -0.001 0.000 1.930 18 A HA 0.082 4.402 4.320 0.000 0.000 0.217 18 A C 2.450 180.033 177.584 -0.001 0.000 1.175 18 A CA 1.860 53.897 52.037 -0.000 0.000 0.627 18 A CB -0.755 18.250 19.000 0.009 0.000 0.815 18 A HN 0.455 nan 8.150 nan 0.000 0.443 19 A N 0.020 122.840 122.820 0.000 0.000 1.855 19 A HA 0.214 4.534 4.320 0.000 0.000 0.215 19 A C 2.543 180.124 177.584 -0.006 0.000 1.191 19 A CA 1.997 54.028 52.037 -0.009 0.000 0.613 19 A CB -1.196 17.800 19.000 -0.006 0.000 0.829 19 A HN 1.049 nan 8.150 nan 0.000 0.442 20 A N 0.057 122.875 122.820 -0.003 0.000 1.892 20 A HA -0.263 4.057 4.320 0.000 0.000 0.218 20 A C 2.159 179.760 177.584 0.030 0.000 1.188 20 A CA 2.380 54.419 52.037 0.004 0.000 0.631 20 A CB -0.610 18.379 19.000 -0.019 0.000 0.822 20 A HN 0.591 nan 8.150 nan 0.000 0.447 21 K N -0.565 119.842 120.400 0.012 0.000 2.032 21 K HA -0.151 4.169 4.320 0.000 0.000 0.209 21 K C 2.026 178.670 176.600 0.073 0.000 1.048 21 K CA 1.660 57.970 56.287 0.039 0.000 0.927 21 K CB -0.350 32.154 32.500 0.006 0.000 0.712 21 K HN 0.455 nan 8.250 nan 0.000 0.441 22 L N 1.140 122.382 121.223 0.031 0.000 1.970 22 L HA -0.217 4.123 4.340 0.000 0.000 0.212 22 L C 2.266 179.145 176.870 0.015 0.000 1.071 22 L CA 1.415 56.264 54.840 0.015 0.000 0.751 22 L CB -0.259 41.794 42.059 -0.011 0.000 0.889 22 L HN 0.254 nan 8.230 nan 0.000 0.432 23 L N -1.010 120.220 121.223 0.012 0.000 2.079 23 L HA -0.290 4.050 4.340 0.000 0.000 0.210 23 L C 2.582 179.474 176.870 0.037 0.000 1.081 23 L CA 1.640 56.484 54.840 0.006 0.000 0.752 23 L CB -0.940 41.118 42.059 -0.001 0.000 0.896 23 L HN 0.449 nan 8.230 nan 0.000 0.433 24 H N 0.204 119.262 119.070 -0.020 0.000 2.293 24 H HA -0.190 4.366 4.556 0.000 0.000 0.300 24 H C 1.862 177.181 175.328 -0.014 0.000 1.082 24 H CA 1.978 58.018 56.048 -0.014 0.000 1.308 24 H CB -0.035 29.720 29.762 -0.012 0.000 1.375 24 H HN 0.178 nan 8.280 nan 0.000 0.495 25 D N -0.409 120.004 120.400 0.022 0.000 2.265 25 D HA -0.104 4.536 4.640 0.000 0.000 0.208 25 D C 1.603 177.856 176.300 -0.078 0.000 0.977 25 D CA 1.283 55.258 54.000 -0.042 0.000 0.871 25 D CB -0.200 40.614 40.800 0.024 0.000 0.925 25 D HN 0.361 nan 8.370 nan 0.000 0.485 26 S N -1.207 114.455 115.700 -0.063 0.000 2.575 26 S HA 0.292 4.762 4.470 0.000 0.000 0.215 26 S C 1.504 176.061 174.600 -0.072 0.000 0.966 26 S CA 0.439 58.605 58.200 -0.058 0.000 0.911 26 S CB 0.802 63.977 63.200 -0.043 0.000 0.780 26 S HN 0.410 nan 8.310 nan 0.000 0.514 27 G N 1.363 110.094 108.800 -0.116 0.000 2.143 27 G HA2 -0.219 3.741 3.960 0.000 0.000 0.249 27 G HA3 -0.219 3.741 3.960 0.000 0.000 0.249 27 G C -0.033 174.827 174.900 -0.068 0.000 0.981 27 G CA -0.130 44.902 45.100 -0.112 0.000 0.665 27 G HN 0.449 nan 8.290 nan 0.000 0.528 28 L N 0.160 121.356 121.223 -0.045 0.000 2.399 28 L HA 0.443 4.783 4.340 0.000 0.000 0.265 28 L C 0.072 176.958 176.870 0.025 0.000 1.089 28 L CA -1.119 53.718 54.840 -0.004 0.000 0.802 28 L CB 0.732 42.794 42.059 0.005 0.000 1.180 28 L HN -0.002 nan 8.230 nan 0.000 0.454 29 N N 1.937 120.662 118.700 0.042 0.000 2.420 29 N HA 0.284 5.024 4.740 0.000 0.000 0.249 29 N C -0.557 174.995 175.510 0.069 0.000 1.033 29 N CA -0.155 52.934 53.050 0.065 0.000 0.944 29 N CB 1.521 40.041 38.487 0.055 0.000 1.113 29 N HN 0.342 nan 8.380 nan 0.000 0.502 30 V N -0.087 119.876 119.914 0.081 0.000 2.850 30 V HA 0.753 4.873 4.120 0.000 0.000 0.315 30 V C 0.111 176.227 176.094 0.036 0.000 1.064 30 V CA -0.753 61.580 62.300 0.054 0.000 0.979 30 V CB 1.940 33.791 31.823 0.047 0.000 1.039 30 V HN 0.172 nan 8.190 nan 0.000 0.452 31 V N 2.525 122.441 119.914 0.003 0.000 2.638 31 V HA 0.508 4.628 4.120 0.000 0.000 0.306 31 V C -0.415 175.625 176.094 -0.089 0.000 1.052 31 V CA -0.504 61.769 62.300 -0.044 0.000 0.885 31 V CB 2.055 33.841 31.823 -0.062 0.000 0.999 31 V HN 0.824 nan 8.190 nan 0.000 0.424 32 V N 6.011 125.867 119.914 -0.097 0.000 2.398 32 V HA 0.478 4.598 4.120 0.000 0.000 0.286 32 V C -0.249 175.759 176.094 -0.145 0.000 1.026 32 V CA -0.455 61.786 62.300 -0.099 0.000 0.868 32 V CB 1.593 33.377 31.823 -0.066 0.000 0.982 32 V HN 0.627 nan 8.190 nan 0.000 0.443 33 L N 4.470 125.596 121.223 -0.163 0.000 2.277 33 L HA 0.552 4.893 4.340 0.000 0.000 0.284 33 L C -0.204 176.594 176.870 -0.120 0.000 1.028 33 L CA -0.389 54.342 54.840 -0.182 0.000 0.835 33 L CB 1.432 43.347 42.059 -0.241 0.000 1.215 33 L HN 0.611 nan 8.230 nan 0.000 0.425 34 E N 2.280 122.416 120.200 -0.108 0.000 2.133 34 E HA 0.444 4.794 4.350 0.000 0.000 0.274 34 E C 0.524 177.032 176.600 -0.154 0.000 0.930 34 E CA -0.261 56.077 56.400 -0.103 0.000 0.770 34 E CB 2.013 31.674 29.700 -0.066 0.000 1.104 34 E HN 0.555 nan 8.360 nan 0.000 0.403 35 A N 5.576 128.241 122.820 -0.259 0.000 1.933 35 A HA -0.082 4.238 4.320 0.000 0.000 0.218 35 A C 1.074 178.427 177.584 -0.386 0.000 1.175 35 A CA 1.111 52.860 52.037 -0.480 0.000 0.628 35 A CB -0.170 18.176 19.000 -1.090 0.000 0.814 35 A HN 0.607 nan 8.150 nan 0.000 0.444 36 R N -0.385 119.974 120.500 -0.235 0.000 2.541 36 R HA 0.282 4.622 4.340 0.000 0.000 0.254 36 R C 0.148 176.422 176.300 -0.043 0.000 1.130 36 R CA 0.088 56.132 56.100 -0.093 0.000 1.152 36 R CB 0.152 30.441 30.300 -0.018 0.000 1.222 36 R HN 0.419 nan 8.270 nan 0.000 0.579 37 D N 0.232 120.627 120.400 -0.007 0.000 2.319 37 D HA -0.018 4.622 4.640 0.000 0.000 0.230 37 D C -0.218 176.098 176.300 0.027 0.000 1.094 37 D CA -0.011 53.994 54.000 0.007 0.000 0.856 37 D CB -0.009 40.800 40.800 0.014 0.000 0.915 37 D HN 0.426 nan 8.370 nan 0.000 0.517 38 R N -1.239 119.282 120.500 0.035 0.000 2.739 38 R HA 0.598 4.938 4.340 0.000 0.000 0.271 38 R C -0.580 175.753 176.300 0.056 0.000 1.010 38 R CA -1.129 55.009 56.100 0.064 0.000 0.897 38 R CB 1.200 31.578 30.300 0.128 0.000 1.236 38 R HN -0.110 nan 8.270 nan 0.000 0.466 39 V N -1.518 118.430 119.914 0.057 0.000 3.262 39 V HA 0.869 4.989 4.120 0.000 0.000 0.313 39 V C 0.943 177.098 176.094 0.102 0.000 1.070 39 V CA 0.371 62.705 62.300 0.056 0.000 1.049 39 V CB 0.815 32.653 31.823 0.024 0.000 1.157 39 V HN 1.177 nan 8.190 nan 0.000 0.454 40 G N -1.111 107.747 108.800 0.097 0.000 2.428 40 G HA2 0.134 4.094 3.960 0.000 0.000 0.199 40 G HA3 0.134 4.094 3.960 0.000 0.000 0.199 40 G C 1.426 176.417 174.900 0.152 0.000 1.005 40 G CA 0.678 45.855 45.100 0.128 0.000 0.671 40 G HN 2.398 nan 8.290 nan 0.000 0.485 41 G N 0.866 109.767 108.800 0.169 0.000 2.699 41 G HA2 -0.453 3.507 3.960 0.000 0.000 0.351 41 G HA3 -0.453 3.507 3.960 0.000 0.000 0.351 41 G C 1.084 176.138 174.900 0.256 0.000 1.191 41 G CA 1.772 46.992 45.100 0.200 0.000 0.953 41 G HN 1.148 nan 8.290 nan 0.000 0.557 42 R N 1.774 122.326 120.500 0.085 0.000 2.323 42 R HA 0.229 4.569 4.340 0.000 0.000 0.198 42 R C 0.960 177.128 176.300 -0.220 0.000 0.988 42 R CA 0.991 56.947 56.100 -0.241 0.000 1.041 42 R CB -0.125 30.009 30.300 -0.276 0.000 0.926 42 R HN 0.680 nan 8.270 nan 0.000 0.476 43 T N -2.611 111.991 114.554 0.079 0.000 2.855 43 T HA 0.417 4.767 4.350 0.000 0.000 0.281 43 T C -0.989 173.936 174.700 0.375 0.000 1.007 43 T CA -0.692 61.508 62.100 0.167 0.000 1.009 43 T CB 1.665 70.601 68.868 0.114 0.000 0.983 43 T HN 0.136 nan 8.240 nan 0.000 0.455 44 Y N 1.136 121.585 120.300 0.248 0.000 2.299 44 Y HA 0.419 4.969 4.550 0.000 0.000 0.318 44 Y C -1.240 174.783 175.900 0.206 0.000 1.205 44 Y CA -0.624 57.629 58.100 0.255 0.000 1.106 44 Y CB 1.506 40.191 38.460 0.376 0.000 1.246 44 Y HN 0.917 nan 8.280 nan 0.000 0.415 45 T N 7.501 121.863 114.554 -0.320 0.000 2.756 45 T HA 0.443 4.793 4.350 0.000 0.000 0.290 45 T C -0.802 173.554 174.700 -0.574 0.000 0.985 45 T CA -0.451 61.482 62.100 -0.278 0.000 0.955 45 T CB 0.882 69.696 68.868 -0.089 0.000 0.930 45 T HN 0.625 nan 8.240 nan 0.000 0.451 46 L N 4.184 125.145 121.223 -0.436 0.000 2.292 46 L HA 0.656 4.996 4.340 0.000 0.000 0.284 46 L C -0.257 176.548 176.870 -0.107 0.000 1.065 46 L CA -0.268 54.392 54.840 -0.299 0.000 0.806 46 L CB 0.543 42.555 42.059 -0.078 0.000 1.175 46 L HN 0.450 nan 8.230 nan 0.000 0.431 47 R N 3.590 124.041 120.500 -0.082 0.000 2.460 47 R HA 0.676 5.016 4.340 0.000 0.000 0.303 47 R C -1.074 175.198 176.300 -0.047 0.000 0.968 47 R CA -0.518 55.557 56.100 -0.043 0.000 0.889 47 R CB 1.373 31.657 30.300 -0.028 0.000 1.123 47 R HN 0.923 nan 8.270 nan 0.000 0.455 48 N N -1.415 117.240 118.700 -0.076 0.000 3.127 48 N HA -0.026 4.714 4.740 0.000 0.000 0.239 48 N C -0.232 175.203 175.510 -0.125 0.000 1.407 48 N CA -0.892 52.106 53.050 -0.086 0.000 0.891 48 N CB 0.776 39.215 38.487 -0.079 0.000 1.447 48 N HN 0.360 nan 8.380 nan 0.000 0.507 49 Q N -0.090 119.651 119.800 -0.099 0.000 2.135 49 Q HA -0.089 4.251 4.340 0.000 0.000 0.204 49 Q C 0.536 176.486 176.000 -0.083 0.000 0.981 49 Q CA 1.442 57.204 55.803 -0.069 0.000 0.856 49 Q CB 0.021 28.733 28.738 -0.044 0.000 0.902 49 Q HN 0.583 nan 8.270 nan 0.000 0.425 50 K N -0.055 120.210 120.400 -0.226 0.000 2.155 50 K HA -0.068 4.252 4.320 0.000 0.000 0.203 50 K C 1.986 178.387 176.600 -0.331 0.000 1.052 50 K CA 1.341 57.411 56.287 -0.361 0.000 0.948 50 K CB 0.127 32.111 32.500 -0.860 0.000 0.728 50 K HN 0.310 nan 8.250 nan 0.000 0.448 51 V N -2.365 117.295 119.914 -0.425 0.000 3.645 51 V HA 0.180 4.300 4.120 0.000 0.000 0.275 51 V C 1.456 177.104 176.094 -0.742 0.000 1.356 51 V CA 0.666 62.670 62.300 -0.493 0.000 1.051 51 V CB 0.131 31.732 31.823 -0.370 0.000 0.828 51 V HN 0.298 nan 8.190 nan 0.000 0.441 52 K N 0.840 120.868 120.400 -0.620 0.000 11.046 52 K HA -0.322 3.998 4.320 0.000 0.000 0.528 52 K C 0.195 176.683 176.600 -0.187 0.000 0.384 52 K CA 2.664 58.677 56.287 -0.457 0.000 1.939 52 K CB -1.575 30.517 32.500 -0.681 0.000 0.775 52 K HN 0.965 nan 8.250 nan 0.000 1.232 53 Y N -1.918 118.236 120.300 -0.243 0.000 2.588 53 Y HA 0.767 5.317 4.550 0.000 0.000 0.343 53 Y C -1.160 174.703 175.900 -0.062 0.000 1.065 53 Y CA -0.726 57.295 58.100 -0.131 0.000 1.038 53 Y CB 2.072 40.474 38.460 -0.098 0.000 1.297 53 Y HN 0.061 nan 8.280 nan 0.000 0.467 54 V N 2.093 122.062 119.914 0.092 0.000 2.882 54 V HA 0.287 4.407 4.120 0.000 0.000 0.295 54 V C -1.714 174.461 176.094 0.134 0.000 1.273 54 V CA -0.714 61.651 62.300 0.109 0.000 0.949 54 V CB 2.029 33.938 31.823 0.144 0.000 1.071 54 V HN 0.955 nan 8.190 nan 0.000 0.432 55 D N 5.833 126.323 120.400 0.150 0.000 2.312 55 D HA 0.328 4.968 4.640 0.000 0.000 0.252 55 D C 0.716 177.143 176.300 0.212 0.000 1.150 55 D CA 0.040 54.131 54.000 0.151 0.000 0.870 55 D CB 2.078 42.940 40.800 0.103 0.000 1.153 55 D HN 0.492 nan 8.370 nan 0.000 0.457 56 L N 1.306 122.730 121.223 0.335 0.000 2.640 56 L HA 0.244 4.584 4.340 0.000 0.000 0.230 56 L C 1.396 178.703 176.870 0.728 0.000 1.123 56 L CA -0.044 55.085 54.840 0.480 0.000 0.900 56 L CB 0.427 42.784 42.059 0.496 0.000 1.146 56 L HN 0.360 nan 8.230 nan 0.000 0.484 57 G N -0.677 108.449 108.800 0.544 0.000 3.340 57 G HA2 0.411 4.371 3.960 0.000 0.000 0.176 57 G HA3 0.411 4.371 3.960 0.000 0.000 0.176 57 G C -0.188 174.750 174.900 0.063 0.000 1.103 57 G CA -0.016 45.187 45.100 0.171 0.000 0.779 57 G HN 0.040 nan 8.290 nan 0.000 0.673 58 G N -0.380 108.382 108.800 -0.063 0.000 2.224 58 G HA2 0.369 4.329 3.960 0.000 0.000 0.239 58 G HA3 0.369 4.329 3.960 0.000 0.000 0.239 58 G C 0.518 175.431 174.900 0.023 0.000 1.240 58 G CA 1.058 46.142 45.100 -0.026 0.000 0.896 58 G HN 0.893 nan 8.290 nan 0.000 0.496 59 S N 1.508 117.191 115.700 -0.028 0.000 3.770 59 S HA 0.190 4.660 4.470 0.000 0.000 0.238 59 S C 0.124 174.544 174.600 -0.299 0.000 1.143 59 S CA -0.334 57.756 58.200 -0.183 0.000 0.869 59 S CB -0.137 62.818 63.200 -0.409 0.000 1.057 59 S HN 0.482 nan 8.310 nan 0.000 0.507 60 Y N 2.821 123.099 120.300 -0.037 0.000 2.309 60 Y HA 0.504 5.054 4.550 0.000 0.000 0.327 60 Y C 0.243 176.020 175.900 -0.204 0.000 1.172 60 Y CA -0.219 57.806 58.100 -0.126 0.000 1.280 60 Y CB 1.133 39.562 38.460 -0.053 0.000 1.234 60 Y HN 0.150 nan 8.280 nan 0.000 0.512 61 V N -0.217 119.585 119.914 -0.188 0.000 3.040 61 V HA 1.083 5.203 4.120 0.000 0.000 0.312 61 V C -0.242 175.674 176.094 -0.296 0.000 1.115 61 V CA -0.662 61.449 62.300 -0.315 0.000 0.998 61 V CB 1.612 33.157 31.823 -0.464 0.000 1.042 61 V HN 0.921 nan 8.190 nan 0.000 0.433 62 G N 0.495 109.073 108.800 -0.370 0.000 2.645 62 G HA2 0.749 4.709 3.960 0.000 0.000 0.292 62 G HA3 0.749 4.709 3.960 0.000 0.000 0.292 62 G C -3.451 171.298 174.900 -0.252 0.000 1.415 62 G CA -1.418 43.516 45.100 -0.277 0.000 0.785 62 G HN 0.661 nan 8.290 nan 0.000 0.483 63 P HA 0.111 nan 4.420 nan 0.000 0.269 63 P C 0.966 178.258 177.300 -0.015 0.000 1.211 63 P CA 1.890 64.955 63.100 -0.058 0.000 0.781 63 P CB 0.575 32.270 31.700 -0.009 0.000 0.877 64 T N -2.400 112.180 114.554 0.044 0.000 7.578 64 T HA -0.300 4.050 4.350 0.000 0.000 0.299 64 T C 0.254 174.979 174.700 0.042 0.000 2.097 64 T CA 1.387 63.587 62.100 0.166 0.000 3.248 64 T CB -2.642 66.462 68.868 0.394 0.000 2.014 64 T HN 0.614 nan 8.240 nan 0.000 1.198 65 Q N 1.020 120.670 119.800 -0.250 0.000 3.091 65 Q HA 0.363 4.703 4.340 0.000 0.000 0.301 65 Q C 0.786 176.680 176.000 -0.177 0.000 1.337 65 Q CA -0.482 55.060 55.803 -0.434 0.000 1.083 65 Q CB 0.288 28.581 28.738 -0.741 0.000 1.477 65 Q HN 0.484 nan 8.270 nan 0.000 0.537 66 N N 0.459 119.126 118.700 -0.055 0.000 2.446 66 N HA -0.012 4.728 4.740 0.000 0.000 0.179 66 N C 1.097 176.615 175.510 0.013 0.000 1.054 66 N CA 0.597 53.646 53.050 -0.001 0.000 0.905 66 N CB 0.408 38.920 38.487 0.042 0.000 0.973 66 N HN 0.349 nan 8.380 nan 0.000 0.448 67 R N 0.428 120.934 120.500 0.011 0.000 2.057 67 R HA 0.116 4.456 4.340 0.000 0.000 0.224 67 R C 2.025 178.338 176.300 0.022 0.000 1.136 67 R CA 0.392 56.509 56.100 0.027 0.000 0.968 67 R CB -0.342 29.985 30.300 0.045 0.000 0.863 67 R HN 0.029 nan 8.270 nan 0.000 0.433 68 I N 1.354 121.932 120.570 0.014 0.000 2.315 68 I HA -0.253 3.917 4.170 0.000 0.000 0.251 68 I C 1.741 177.919 176.117 0.101 0.000 1.125 68 I CA 1.533 62.865 61.300 0.054 0.000 1.392 68 I CB 0.009 38.056 38.000 0.079 0.000 1.065 68 I HN 0.126 nan 8.210 nan 0.000 0.424 69 L N -0.096 121.172 121.223 0.075 0.000 2.072 69 L HA -0.111 4.229 4.340 0.000 0.000 0.205 69 L C 2.714 179.626 176.870 0.070 0.000 1.079 69 L CA 0.990 55.892 54.840 0.104 0.000 0.752 69 L CB -0.781 41.301 42.059 0.037 0.000 0.906 69 L HN 0.220 nan 8.230 nan 0.000 0.436 70 R N 0.739 121.262 120.500 0.038 0.000 2.081 70 R HA -0.201 4.139 4.340 0.000 0.000 0.235 70 R C 2.271 178.578 176.300 0.012 0.000 1.131 70 R CA 1.741 57.856 56.100 0.025 0.000 0.960 70 R CB -0.583 29.730 30.300 0.023 0.000 0.856 70 R HN 0.249 nan 8.270 nan 0.000 0.436 71 L N 0.966 122.192 121.223 0.006 0.000 2.005 71 L HA -0.033 4.307 4.340 0.000 0.000 0.207 71 L C 2.460 179.296 176.870 -0.058 0.000 1.072 71 L CA 2.355 57.182 54.840 -0.022 0.000 0.744 71 L CB -0.949 41.096 42.059 -0.024 0.000 0.895 71 L HN 0.214 nan 8.230 nan 0.000 0.433 72 A N -0.531 122.238 122.820 -0.085 0.000 1.908 72 A HA -0.296 4.024 4.320 0.000 0.000 0.218 72 A C 2.484 180.014 177.584 -0.090 0.000 1.181 72 A CA 2.183 54.103 52.037 -0.194 0.000 0.627 72 A CB -0.722 18.053 19.000 -0.375 0.000 0.818 72 A HN 0.539 nan 8.150 nan 0.000 0.445 73 K N -0.369 120.027 120.400 -0.007 0.000 2.097 73 K HA -0.184 4.136 4.320 0.000 0.000 0.205 73 K C 2.043 178.637 176.600 -0.010 0.000 1.050 73 K CA 1.574 57.867 56.287 0.011 0.000 0.938 73 K CB -0.177 32.343 32.500 0.032 0.000 0.718 73 K HN 0.628 nan 8.250 nan 0.000 0.442 74 E N 0.467 120.657 120.200 -0.016 0.000 2.204 74 E HA -0.159 4.191 4.350 0.000 0.000 0.195 74 E C 1.521 178.103 176.600 -0.031 0.000 0.990 74 E CA 0.794 57.184 56.400 -0.017 0.000 0.821 74 E CB 0.066 29.759 29.700 -0.013 0.000 0.750 74 E HN 0.348 nan 8.360 nan 0.000 0.477 75 L N -0.805 120.386 121.223 -0.054 0.000 2.591 75 L HA 0.217 4.557 4.340 0.000 0.000 0.228 75 L C 1.270 178.099 176.870 -0.069 0.000 1.133 75 L CA 0.409 55.207 54.840 -0.069 0.000 0.880 75 L CB 0.475 42.472 42.059 -0.104 0.000 1.033 75 L HN 0.343 nan 8.230 nan 0.000 0.450 76 G N 0.140 108.910 108.800 -0.051 0.000 2.131 76 G HA2 -0.221 3.739 3.960 0.000 0.000 0.223 76 G HA3 -0.221 3.739 3.960 0.000 0.000 0.223 76 G C 0.073 174.950 174.900 -0.037 0.000 0.990 76 G CA -0.356 44.721 45.100 -0.037 0.000 0.671 76 G HN 0.180 nan 8.290 nan 0.000 0.521 77 L N -0.234 120.958 121.223 -0.051 0.000 2.399 77 L HA 0.769 5.109 4.340 0.000 0.000 0.265 77 L C 0.576 177.491 176.870 0.074 0.000 1.089 77 L CA -0.731 54.088 54.840 -0.036 0.000 0.802 77 L CB 1.247 43.195 42.059 -0.186 0.000 1.180 77 L HN 0.177 nan 8.230 nan 0.000 0.454 78 E N -0.273 120.013 120.200 0.143 0.000 2.312 78 E HA 0.426 4.776 4.350 0.000 0.000 0.267 78 E C -1.002 175.751 176.600 0.256 0.000 0.894 78 E CA -0.676 55.826 56.400 0.170 0.000 0.773 78 E CB 2.510 32.278 29.700 0.112 0.000 1.241 78 E HN 0.659 nan 8.360 nan 0.000 0.432 79 T N -1.110 113.543 114.554 0.165 0.000 2.945 79 T HA 0.620 4.970 4.350 0.000 0.000 0.286 79 T C -0.730 174.060 174.700 0.150 0.000 1.025 79 T CA -0.669 61.469 62.100 0.064 0.000 1.039 79 T CB 0.625 69.420 68.868 -0.121 0.000 1.068 79 T HN 0.512 nan 8.240 nan 0.000 0.497 80 Y N -1.117 119.174 120.300 -0.014 0.000 2.576 80 Y HA 0.743 5.293 4.550 0.000 0.000 0.346 80 Y C -0.646 175.253 175.900 -0.002 0.000 1.018 80 Y CA -1.532 56.574 58.100 0.010 0.000 1.050 80 Y CB 1.515 40.001 38.460 0.043 0.000 1.280 80 Y HN 0.607 nan 8.280 nan 0.000 0.474 81 K N 2.136 122.543 120.400 0.012 0.000 2.234 81 K HA 0.434 4.754 4.320 0.000 0.000 0.282 81 K C -0.925 175.645 176.600 -0.051 0.000 1.039 81 K CA -0.830 55.414 56.287 -0.071 0.000 0.928 81 K CB 1.728 34.236 32.500 0.013 0.000 1.039 81 K HN 0.596 nan 8.250 nan 0.000 0.470 82 V N 3.540 123.388 119.914 -0.110 0.000 2.540 82 V HA -0.100 4.020 4.120 0.000 0.000 0.297 82 V C 0.538 176.659 176.094 0.046 0.000 1.024 82 V CA -0.136 62.163 62.300 -0.002 0.000 1.105 82 V CB 0.218 32.057 31.823 0.026 0.000 0.938 82 V HN 0.744 nan 8.190 nan 0.000 0.482 83 N N 4.113 122.872 118.700 0.098 0.000 2.447 83 N HA 0.021 4.761 4.740 0.000 0.000 0.263 83 N C 0.245 175.778 175.510 0.037 0.000 1.226 83 N CA 0.502 53.603 53.050 0.084 0.000 0.906 83 N CB 0.295 38.856 38.487 0.124 0.000 1.060 83 N HN 0.865 nan 8.380 nan 0.000 0.468 84 E N 3.009 123.221 120.200 0.021 0.000 3.625 84 E HA 0.093 4.443 4.350 0.000 0.000 0.166 84 E C -0.312 176.285 176.600 -0.004 0.000 0.978 84 E CA -0.061 56.334 56.400 -0.008 0.000 1.429 84 E CB 0.003 29.686 29.700 -0.029 0.000 1.100 84 E HN 0.452 nan 8.360 nan 0.000 0.428 85 V N 0.438 120.359 119.914 0.012 0.000 2.535 85 V HA -0.013 4.107 4.120 0.000 0.000 0.246 85 V C 0.805 176.900 176.094 0.002 0.000 1.045 85 V CA 1.412 63.717 62.300 0.009 0.000 1.058 85 V CB 0.121 31.952 31.823 0.013 0.000 0.689 85 V HN 0.241 nan 8.190 nan 0.000 0.461 86 E N -0.937 119.269 120.200 0.010 0.000 2.601 86 E HA 0.459 4.809 4.350 0.000 0.000 0.250 86 E C 0.065 176.665 176.600 -0.000 0.000 1.099 86 E CA -0.753 55.650 56.400 0.006 0.000 0.968 86 E CB 0.477 30.189 29.700 0.020 0.000 1.290 86 E HN 0.225 nan 8.360 nan 0.000 0.505 87 R N 0.242 120.752 120.500 0.016 0.000 2.641 87 R HA 0.273 4.613 4.340 0.000 0.000 0.269 87 R C -0.495 175.779 176.300 -0.045 0.000 1.074 87 R CA -0.495 55.602 56.100 -0.004 0.000 1.133 87 R CB 0.111 30.454 30.300 0.071 0.000 1.029 87 R HN 0.170 nan 8.270 nan 0.000 0.488 88 L N 2.123 123.151 121.223 -0.325 0.000 2.454 88 L HA 0.453 4.793 4.340 0.000 0.000 0.256 88 L C 0.189 176.856 176.870 -0.337 0.000 1.136 88 L CA -0.078 54.480 54.840 -0.471 0.000 0.804 88 L CB 0.436 41.948 42.059 -0.912 0.000 1.181 88 L HN 0.470 nan 8.230 nan 0.000 0.469 89 I N -0.019 120.479 120.570 -0.120 0.000 2.466 89 I HA 0.265 4.435 4.170 0.000 0.000 0.289 89 I C -0.778 175.614 176.117 0.458 0.000 1.026 89 I CA -0.420 60.969 61.300 0.148 0.000 1.078 89 I CB 1.526 39.488 38.000 -0.063 0.000 1.249 89 I HN 0.568 nan 8.210 nan 0.000 0.429 90 H N 5.604 125.009 119.070 0.558 0.000 2.504 90 H HA 0.327 4.883 4.556 0.000 0.000 0.322 90 H C -1.300 174.281 175.328 0.421 0.000 1.055 90 H CA -0.730 55.604 56.048 0.475 0.000 1.231 90 H CB 1.050 31.038 29.762 0.376 0.000 1.417 90 H HN 0.608 nan 8.280 nan 0.000 0.472 91 H N 4.678 123.877 119.070 0.214 0.000 2.597 91 H HA 0.366 4.922 4.556 0.000 0.000 0.303 91 H C -1.427 173.891 175.328 -0.016 0.000 1.057 91 H CA -0.432 55.661 56.048 0.076 0.000 1.261 91 H CB 0.567 30.378 29.762 0.083 0.000 1.397 91 H HN 0.283 nan 8.280 nan 0.000 0.461 92 V N 6.499 126.278 119.914 -0.225 0.000 2.483 92 V HA 0.195 4.315 4.120 0.000 0.000 0.297 92 V C -0.175 175.856 176.094 -0.105 0.000 1.027 92 V CA -1.156 61.058 62.300 -0.142 0.000 0.855 92 V CB 1.598 33.337 31.823 -0.140 0.000 0.995 92 V HN 0.885 nan 8.190 nan 0.000 0.424 93 K N 3.957 124.319 120.400 -0.065 0.000 3.278 93 K HA -0.222 4.098 4.320 0.000 0.000 0.270 93 K C 1.028 177.568 176.600 -0.100 0.000 0.955 93 K CA 0.957 57.222 56.287 -0.036 0.000 0.723 93 K CB -1.290 31.213 32.500 0.006 0.000 1.382 93 K HN 1.779 nan 8.250 nan 0.000 0.461 94 G N -0.249 108.430 108.800 -0.202 0.000 2.160 94 G HA2 -0.339 3.621 3.960 0.000 0.000 0.251 94 G HA3 -0.339 3.621 3.960 0.000 0.000 0.251 94 G C -0.184 174.505 174.900 -0.351 0.000 1.008 94 G CA 1.048 46.044 45.100 -0.173 0.000 0.724 94 G HN 0.427 nan 8.290 nan 0.000 0.514 95 K N -0.442 119.532 120.400 -0.710 0.000 2.523 95 K HA 0.600 4.920 4.320 0.000 0.000 0.257 95 K C -0.760 175.472 176.600 -0.613 0.000 0.932 95 K CA -0.670 55.319 56.287 -0.497 0.000 0.812 95 K CB 1.976 34.251 32.500 -0.376 0.000 1.326 95 K HN 0.058 nan 8.250 nan 0.000 0.433 96 S N 1.520 117.006 115.700 -0.358 0.000 2.480 96 S HA 0.405 4.875 4.470 0.000 0.000 0.286 96 S C -1.258 173.114 174.600 -0.379 0.000 1.180 96 S CA -0.529 57.582 58.200 -0.148 0.000 1.075 96 S CB 0.193 63.426 63.200 0.055 0.000 0.996 96 S HN 0.364 nan 8.310 nan 0.000 0.487 97 Y N 3.158 123.567 120.300 0.180 0.000 2.464 97 Y HA 0.347 4.897 4.550 0.000 0.000 0.326 97 Y C -2.347 173.773 175.900 0.367 0.000 0.969 97 Y CA -2.448 55.796 58.100 0.240 0.000 1.270 97 Y CB 0.792 39.382 38.460 0.218 0.000 1.103 97 Y HN 0.455 nan 8.280 nan 0.000 0.491 98 P HA 0.220 nan 4.420 nan 0.000 0.271 98 P C -0.801 176.792 177.300 0.488 0.000 1.218 98 P CA -0.002 63.341 63.100 0.405 0.000 0.780 98 P CB 0.672 32.596 31.700 0.375 0.000 0.901 99 F N -0.819 119.269 119.950 0.230 0.000 2.789 99 F HA 0.744 5.271 4.527 0.000 0.000 0.319 99 F C -1.083 174.802 175.800 0.142 0.000 1.168 99 F CA -1.350 56.764 58.000 0.190 0.000 0.934 99 F CB 1.515 40.631 39.000 0.194 0.000 1.375 99 F HN 0.043 nan 8.300 nan 0.000 0.480 100 R N 0.918 121.562 120.500 0.239 0.000 2.686 100 R HA 0.746 5.086 4.340 0.000 0.000 0.283 100 R C -0.688 175.761 176.300 0.248 0.000 0.978 100 R CA -0.828 55.329 56.100 0.094 0.000 0.897 100 R CB 1.793 32.148 30.300 0.092 0.000 1.192 100 R HN 1.473 nan 8.270 nan 0.000 0.457 101 G N 2.199 111.093 108.800 0.157 0.000 2.497 101 G HA2 -0.118 3.842 3.960 0.000 0.000 0.686 101 G HA3 -0.118 3.842 3.960 0.000 0.000 0.686 101 G C -2.402 172.628 174.900 0.216 0.000 1.288 101 G CA -0.973 44.243 45.100 0.193 0.000 0.899 101 G HN 0.416 nan 8.290 nan 0.000 0.608 102 P HA 0.200 nan 4.420 nan 0.000 0.241 102 P C 0.100 177.220 177.300 -0.300 0.000 1.191 102 P CA 0.775 63.816 63.100 -0.098 0.000 0.771 102 P CB 0.057 31.611 31.700 -0.244 0.000 0.929 103 F N 0.996 120.988 119.950 0.070 0.000 2.507 103 F HA 0.439 4.966 4.527 0.000 0.000 0.325 103 F C -2.188 173.407 175.800 -0.341 0.000 1.116 103 F CA -2.976 54.947 58.000 -0.129 0.000 0.930 103 F CB 1.256 40.126 39.000 -0.218 0.000 1.146 103 F HN -0.340 nan 8.300 nan 0.000 0.447 104 P HA 0.062 nan 4.420 nan 0.000 0.264 104 P C -2.364 174.662 177.300 -0.456 0.000 1.193 104 P CA -0.713 61.709 63.100 -1.131 0.000 0.763 104 P CB -0.204 31.009 31.700 -0.812 0.000 0.810 105 P HA 0.035 nan 4.420 nan 0.000 0.269 105 P C -0.802 176.369 177.300 -0.215 0.000 1.209 105 P CA 0.186 63.151 63.100 -0.226 0.000 0.776 105 P CB 0.678 32.300 31.700 -0.130 0.000 0.876 106 V N 3.455 123.215 119.914 -0.256 0.000 2.577 106 V HA 0.356 4.476 4.120 0.000 0.000 0.303 106 V C -0.356 175.626 176.094 -0.185 0.000 1.042 106 V CA -0.483 61.707 62.300 -0.183 0.000 0.872 106 V CB 1.555 33.190 31.823 -0.312 0.000 0.998 106 V HN 0.569 nan 8.190 nan 0.000 0.423 107 W N 2.958 124.254 121.300 -0.007 0.000 2.630 107 W HA 0.297 4.957 4.660 0.000 0.000 0.275 107 W C 1.361 177.883 176.519 0.004 0.000 1.192 107 W CA 0.268 57.611 57.345 -0.005 0.000 1.410 107 W CB 0.154 29.598 29.460 -0.028 0.000 1.075 107 W HN 0.621 nan 8.180 nan 0.000 0.581 108 N N 2.389 121.224 118.700 0.226 0.000 2.434 108 N HA -0.030 4.710 4.740 0.000 0.000 0.268 108 N C -1.867 173.726 175.510 0.138 0.000 1.256 108 N CA -0.525 52.614 53.050 0.149 0.000 0.914 108 N CB 1.297 39.847 38.487 0.105 0.000 1.088 108 N HN -0.112 nan 8.380 nan 0.000 0.478 109 P HA -0.091 nan 4.420 nan 0.000 0.222 109 P C 1.414 178.796 177.300 0.137 0.000 1.147 109 P CA 0.627 63.790 63.100 0.106 0.000 0.790 109 P CB 0.374 32.101 31.700 0.045 0.000 0.780 110 I N -0.748 119.887 120.570 0.107 0.000 2.162 110 I HA -0.136 4.034 4.170 0.000 0.000 0.238 110 I C 1.998 178.186 176.117 0.118 0.000 1.076 110 I CA 1.722 63.079 61.300 0.095 0.000 1.353 110 I CB -2.045 36.003 38.000 0.080 0.000 1.063 110 I HN -0.004 nan 8.210 nan 0.000 0.408 111 T N 0.718 115.345 114.554 0.122 0.000 2.699 111 T HA -0.272 4.078 4.350 0.000 0.000 0.268 111 T C 1.885 176.654 174.700 0.116 0.000 1.036 111 T CA 1.695 63.878 62.100 0.138 0.000 1.147 111 T CB -0.681 68.233 68.868 0.077 0.000 0.862 111 T HN 0.270 nan 8.240 nan 0.000 0.446 112 Y N 1.752 122.049 120.300 -0.005 0.000 2.097 112 Y HA -0.144 4.406 4.550 0.000 0.000 0.282 112 Y C 2.115 178.032 175.900 0.028 0.000 1.152 112 Y CA 1.244 59.327 58.100 -0.029 0.000 1.136 112 Y CB -0.491 37.927 38.460 -0.069 0.000 0.975 112 Y HN 0.129 nan 8.280 nan 0.000 0.498 113 L N -0.375 120.953 121.223 0.174 0.000 2.046 113 L HA -0.226 4.114 4.340 0.000 0.000 0.208 113 L C 2.150 179.020 176.870 0.000 0.000 1.077 113 L CA 1.812 56.703 54.840 0.084 0.000 0.747 113 L CB -0.660 41.439 42.059 0.067 0.000 0.896 113 L HN 0.240 nan 8.230 nan 0.000 0.432 114 D N -0.871 119.551 120.400 0.038 0.000 2.097 114 D HA -0.182 4.458 4.640 0.000 0.000 0.197 114 D C 2.187 178.489 176.300 0.003 0.000 0.984 114 D CA 1.217 55.239 54.000 0.036 0.000 0.826 114 D CB 0.056 40.913 40.800 0.094 0.000 0.973 114 D HN 0.291 nan 8.370 nan 0.000 0.460 115 H N -0.501 118.501 119.070 -0.114 0.000 2.293 115 H HA -0.121 4.435 4.556 0.000 0.000 0.300 115 H C 2.001 177.277 175.328 -0.088 0.000 1.082 115 H CA 1.438 57.418 56.048 -0.113 0.000 1.308 115 H CB -0.187 29.506 29.762 -0.116 0.000 1.375 115 H HN 0.177 nan 8.280 nan 0.000 0.495 116 N N 1.021 119.644 118.700 -0.128 0.000 2.060 116 N HA -0.194 4.546 4.740 0.000 0.000 0.195 116 N C 1.763 177.232 175.510 -0.069 0.000 1.028 116 N CA 1.567 54.531 53.050 -0.144 0.000 0.861 116 N CB -0.343 38.018 38.487 -0.211 0.000 1.029 116 N HN 0.291 nan 8.380 nan 0.000 0.428 117 N N -1.038 117.621 118.700 -0.067 0.000 2.244 117 N HA -0.187 4.553 4.740 0.000 0.000 0.183 117 N C 1.697 177.154 175.510 -0.088 0.000 1.016 117 N CA 0.887 53.894 53.050 -0.072 0.000 0.866 117 N CB -0.250 38.203 38.487 -0.057 0.000 0.980 117 N HN 0.326 nan 8.380 nan 0.000 0.430 118 F N 0.487 120.291 119.950 -0.244 0.000 2.084 118 F HA -0.051 4.476 4.527 0.000 0.000 0.296 118 F C 1.755 177.356 175.800 -0.333 0.000 1.111 118 F CA 1.402 59.184 58.000 -0.363 0.000 1.224 118 F CB -0.820 37.812 39.000 -0.613 0.000 0.991 118 F HN 0.049 nan 8.300 nan 0.000 0.471 119 W N 0.656 121.711 121.300 -0.408 0.000 2.379 119 W HA -0.079 4.581 4.660 0.000 0.000 0.307 119 W C 2.815 179.076 176.519 -0.431 0.000 1.200 119 W CA 1.358 58.399 57.345 -0.506 0.000 1.297 119 W CB -0.734 28.547 29.460 -0.298 0.000 1.140 119 W HN -0.106 nan 8.180 nan 0.000 0.507 120 R N 0.197 120.641 120.500 -0.093 0.000 2.134 120 R HA -0.219 4.121 4.340 0.000 0.000 0.248 120 R C 1.855 178.043 176.300 -0.188 0.000 1.143 120 R CA 2.610 58.625 56.100 -0.142 0.000 0.957 120 R CB -0.724 29.494 30.300 -0.135 0.000 0.867 120 R HN 0.101 nan 8.270 nan 0.000 0.441 121 T N 0.900 115.307 114.554 -0.245 0.000 2.857 121 T HA -0.082 4.268 4.350 0.000 0.000 0.266 121 T C 1.831 176.361 174.700 -0.285 0.000 1.048 121 T CA 1.091 63.052 62.100 -0.231 0.000 1.139 121 T CB -0.057 68.699 68.868 -0.187 0.000 0.874 121 T HN 0.125 nan 8.240 nan 0.000 0.455 122 M N 2.042 121.383 119.600 -0.432 0.000 2.088 122 M HA -0.149 4.331 4.480 0.000 0.000 0.256 122 M C 1.888 178.053 176.300 -0.226 0.000 1.071 122 M CA 1.652 56.736 55.300 -0.359 0.000 1.097 122 M CB -1.244 31.118 32.600 -0.397 0.000 1.315 122 M HN 0.176 nan 8.290 nan 0.000 0.406 123 D N 0.301 120.586 120.400 -0.192 0.000 2.117 123 D HA -0.136 4.504 4.640 0.000 0.000 0.197 123 D C 1.640 177.865 176.300 -0.125 0.000 0.987 123 D CA 1.164 55.076 54.000 -0.146 0.000 0.829 123 D CB -0.369 40.355 40.800 -0.128 0.000 0.961 123 D HN 0.310 nan 8.370 nan 0.000 0.460 124 D N 0.155 120.481 120.400 -0.123 0.000 2.104 124 D HA -0.129 4.511 4.640 0.000 0.000 0.194 124 D C 2.203 178.480 176.300 -0.038 0.000 0.994 124 D CA 0.787 54.739 54.000 -0.080 0.000 0.830 124 D CB -0.258 40.496 40.800 -0.076 0.000 0.959 124 D HN 0.231 nan 8.370 nan 0.000 0.452 125 M N 0.008 119.558 119.600 -0.084 0.000 2.117 125 M HA -0.053 4.427 4.480 0.000 0.000 0.262 125 M C 2.306 178.615 176.300 0.015 0.000 1.065 125 M CA 1.640 56.894 55.300 -0.078 0.000 1.114 125 M CB -0.426 31.929 32.600 -0.408 0.000 1.361 125 M HN 0.054 nan 8.290 nan 0.000 0.408 126 G N -0.130 108.629 108.800 -0.068 0.000 2.432 126 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 126 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 126 G C 1.545 176.432 174.900 -0.023 0.000 1.135 126 G CA 0.488 45.560 45.100 -0.047 0.000 0.767 126 G HN 0.389 nan 8.290 nan 0.000 0.550 127 R N 0.105 120.586 120.500 -0.032 0.000 2.261 127 R HA -0.050 4.290 4.340 0.000 0.000 0.236 127 R C 1.676 177.979 176.300 0.004 0.000 1.141 127 R CA 1.023 57.104 56.100 -0.032 0.000 1.001 127 R CB 0.051 30.328 30.300 -0.037 0.000 0.866 127 R HN 0.259 nan 8.270 nan 0.000 0.468 128 E N -0.037 120.206 120.200 0.072 0.000 2.479 128 E HA 0.096 4.446 4.350 0.000 0.000 0.193 128 E C -0.109 176.532 176.600 0.067 0.000 1.049 128 E CA 0.307 56.756 56.400 0.081 0.000 0.870 128 E CB 0.457 30.256 29.700 0.166 0.000 0.944 128 E HN 0.297 nan 8.360 nan 0.000 0.492 129 I N 2.429 123.043 120.570 0.073 0.000 2.354 129 I HA 0.212 4.382 4.170 0.000 0.000 0.286 129 I C -2.444 173.678 176.117 0.007 0.000 1.007 129 I CA -2.376 58.968 61.300 0.072 0.000 1.167 129 I CB 1.744 39.843 38.000 0.165 0.000 1.320 129 I HN -0.314 nan 8.210 nan 0.000 0.458 130 P HA 0.133 nan 4.420 nan 0.000 0.271 130 P C 0.425 177.709 177.300 -0.027 0.000 1.216 130 P CA 0.099 63.138 63.100 -0.102 0.000 0.771 130 P CB 0.968 32.548 31.700 -0.200 0.000 0.864 131 S N 1.851 117.537 115.700 -0.022 0.000 2.382 131 S HA -0.159 4.311 4.470 0.000 0.000 0.228 131 S C 1.337 176.053 174.600 0.192 0.000 1.027 131 S CA 1.795 60.053 58.200 0.097 0.000 0.991 131 S CB -0.554 62.606 63.200 -0.067 0.000 0.823 131 S HN 0.685 nan 8.310 nan 0.000 0.469 132 D N 0.459 120.817 120.400 -0.070 0.000 2.346 132 D HA 0.198 4.838 4.640 0.000 0.000 0.206 132 D C 0.362 176.441 176.300 -0.368 0.000 1.001 132 D CA 0.434 54.346 54.000 -0.147 0.000 0.871 132 D CB 0.085 40.723 40.800 -0.269 0.000 0.943 132 D HN 0.260 nan 8.370 nan 0.000 0.518 133 A N 0.933 123.384 122.820 -0.615 0.000 3.156 133 A HA 0.460 4.780 4.320 0.000 0.000 0.311 133 A C -2.232 174.596 177.584 -1.260 0.000 1.129 133 A CA -0.918 50.261 52.037 -1.430 0.000 0.809 133 A CB 1.275 19.654 19.000 -1.036 0.000 1.257 133 A HN -0.130 nan 8.150 nan 0.000 0.491 134 P HA -0.145 nan 4.420 nan 0.000 0.218 134 P C 1.235 178.382 177.300 -0.254 0.000 1.149 134 P CA 1.253 64.093 63.100 -0.433 0.000 0.817 134 P CB -0.281 31.170 31.700 -0.416 0.000 0.785 135 W N 0.568 121.811 121.300 -0.095 0.000 2.747 135 W HA 0.057 4.717 4.660 0.000 0.000 0.244 135 W C 1.171 177.657 176.519 -0.055 0.000 1.270 135 W CA 0.441 57.747 57.345 -0.064 0.000 1.333 135 W CB -1.477 27.939 29.460 -0.074 0.000 1.139 135 W HN -0.072 nan 8.180 nan 0.000 0.662 136 K N 0.592 120.823 120.400 -0.283 0.000 2.374 136 K HA 0.315 4.635 4.320 0.000 0.000 0.196 136 K C 1.061 177.583 176.600 -0.130 0.000 1.023 136 K CA 0.137 56.320 56.287 -0.174 0.000 1.103 136 K CB 0.082 32.423 32.500 -0.264 0.000 0.848 136 K HN 0.104 nan 8.250 nan 0.000 0.528 137 A N 2.047 124.795 122.820 -0.120 0.000 2.483 137 A HA 0.123 4.443 4.320 0.000 0.000 0.238 137 A C -1.675 175.800 177.584 -0.181 0.000 1.070 137 A CA -1.007 50.956 52.037 -0.123 0.000 0.770 137 A CB 0.069 19.030 19.000 -0.066 0.000 1.008 137 A HN -0.033 nan 8.150 nan 0.000 0.497 138 P HA -0.120 nan 4.420 nan 0.000 0.216 138 P C 0.325 177.433 177.300 -0.321 0.000 1.153 138 P CA 1.246 64.213 63.100 -0.221 0.000 0.858 138 P CB 0.001 31.583 31.700 -0.197 0.000 0.789 139 L N -1.956 118.911 121.223 -0.593 0.000 3.084 139 L HA 0.377 4.717 4.340 0.000 0.000 0.238 139 L C 1.675 178.150 176.870 -0.659 0.000 1.327 139 L CA -0.433 53.950 54.840 -0.760 0.000 1.094 139 L CB -0.443 40.908 42.059 -1.179 0.000 1.477 139 L HN -0.107 nan 8.230 nan 0.000 0.514 140 A N 0.355 122.998 122.820 -0.295 0.000 1.858 140 A HA -0.172 4.148 4.320 0.000 0.000 0.216 140 A C 2.196 179.791 177.584 0.018 0.000 1.190 140 A CA 1.516 53.508 52.037 -0.074 0.000 0.617 140 A CB -0.103 18.899 19.000 0.003 0.000 0.827 140 A HN 0.546 nan 8.150 nan 0.000 0.443 141 E N -0.733 119.459 120.200 -0.013 0.000 2.017 141 E HA -0.234 4.116 4.350 0.000 0.000 0.193 141 E C 2.097 178.734 176.600 0.061 0.000 0.997 141 E CA 1.217 57.637 56.400 0.034 0.000 0.804 141 E CB -0.341 29.364 29.700 0.008 0.000 0.757 141 E HN 0.810 nan 8.360 nan 0.000 0.448 142 E N 0.252 120.456 120.200 0.006 0.000 2.108 142 E HA -0.234 4.116 4.350 0.000 0.000 0.203 142 E C 1.719 178.476 176.600 0.263 0.000 1.022 142 E CA 1.667 58.110 56.400 0.071 0.000 0.823 142 E CB -0.071 29.611 29.700 -0.029 0.000 0.744 142 E HN 0.300 nan 8.360 nan 0.000 0.456 143 W N 0.560 121.905 121.300 0.075 0.000 2.518 143 W HA 0.040 4.700 4.660 0.000 0.000 0.273 143 W C 1.851 178.444 176.519 0.123 0.000 1.247 143 W CA 0.725 58.128 57.345 0.096 0.000 1.288 143 W CB -0.749 28.769 29.460 0.097 0.000 1.107 143 W HN 0.240 nan 8.180 nan 0.000 0.586 144 D N -0.341 120.261 120.400 0.338 0.000 2.249 144 D HA -0.110 4.530 4.640 0.000 0.000 0.205 144 D C 1.392 177.818 176.300 0.208 0.000 0.962 144 D CA 0.877 55.038 54.000 0.267 0.000 0.860 144 D CB -0.155 40.780 40.800 0.226 0.000 0.955 144 D HN -0.143 nan 8.370 nan 0.000 0.505 145 N N -0.422 118.385 118.700 0.179 0.000 2.521 145 N HA 0.032 4.772 4.740 0.000 0.000 0.188 145 N C -0.018 175.573 175.510 0.136 0.000 1.146 145 N CA 0.402 53.535 53.050 0.138 0.000 0.893 145 N CB 0.095 38.647 38.487 0.108 0.000 0.975 145 N HN 0.347 nan 8.380 nan 0.000 0.451 146 M N -0.358 119.341 119.600 0.165 0.000 2.598 146 M HA 0.225 4.705 4.480 0.000 0.000 0.317 146 M C 0.285 176.667 176.300 0.136 0.000 1.179 146 M CA -0.674 54.708 55.300 0.137 0.000 0.936 146 M CB 2.118 34.805 32.600 0.145 0.000 1.713 146 M HN -0.054 nan 8.290 nan 0.000 0.460 147 T N -1.068 113.547 114.554 0.102 0.000 2.881 147 T HA 0.287 4.637 4.350 0.000 0.000 0.278 147 T C 1.058 175.799 174.700 0.067 0.000 0.982 147 T CA -0.877 61.278 62.100 0.091 0.000 0.989 147 T CB 0.868 69.776 68.868 0.068 0.000 1.058 147 T HN 0.586 nan 8.240 nan 0.000 0.529 148 M N 0.265 119.888 119.600 0.038 0.000 2.279 148 M HA -0.006 4.474 4.480 0.000 0.000 0.264 148 M C 2.144 178.424 176.300 -0.033 0.000 1.062 148 M CA 1.411 56.705 55.300 -0.010 0.000 1.099 148 M CB -1.292 31.224 32.600 -0.140 0.000 1.394 148 M HN 0.826 nan 8.290 nan 0.000 0.426 149 K N 0.727 121.111 120.400 -0.027 0.000 2.002 149 K HA -0.189 4.131 4.320 0.000 0.000 0.209 149 K C 1.641 178.230 176.600 -0.018 0.000 1.048 149 K CA 1.675 57.949 56.287 -0.022 0.000 0.930 149 K CB -0.005 32.510 32.500 0.025 0.000 0.714 149 K HN 0.451 nan 8.250 nan 0.000 0.438 150 E N 0.785 120.988 120.200 0.006 0.000 2.110 150 E HA -0.218 4.132 4.350 0.000 0.000 0.193 150 E C 2.086 178.687 176.600 0.001 0.000 0.988 150 E CA 0.944 57.346 56.400 0.004 0.000 0.804 150 E CB -0.206 29.510 29.700 0.027 0.000 0.745 150 E HN 0.165 nan 8.360 nan 0.000 0.458 151 L N 1.224 122.454 121.223 0.011 0.000 2.046 151 L HA -0.141 4.199 4.340 0.000 0.000 0.208 151 L C 2.092 178.966 176.870 0.007 0.000 1.077 151 L CA 1.515 56.362 54.840 0.011 0.000 0.747 151 L CB -0.300 41.764 42.059 0.008 0.000 0.896 151 L HN 0.131 nan 8.230 nan 0.000 0.432 152 L N -0.865 120.344 121.223 -0.024 0.000 2.017 152 L HA -0.227 4.113 4.340 0.000 0.000 0.208 152 L C 2.288 179.092 176.870 -0.110 0.000 1.073 152 L CA 1.439 56.223 54.840 -0.093 0.000 0.745 152 L CB -0.940 41.020 42.059 -0.164 0.000 0.894 152 L HN 0.274 nan 8.230 nan 0.000 0.432 153 D N 0.155 120.498 120.400 -0.096 0.000 2.172 153 D HA -0.250 4.390 4.640 0.000 0.000 0.196 153 D C 2.100 178.327 176.300 -0.122 0.000 0.999 153 D CA 1.394 55.328 54.000 -0.111 0.000 0.856 153 D CB -0.081 40.666 40.800 -0.088 0.000 0.934 153 D HN 0.256 nan 8.370 nan 0.000 0.453 154 K N -0.181 120.180 120.400 -0.064 0.000 2.103 154 K HA -0.037 4.283 4.320 0.000 0.000 0.204 154 K C 1.867 178.486 176.600 0.033 0.000 1.052 154 K CA 0.417 56.685 56.287 -0.031 0.000 0.945 154 K CB 0.182 32.694 32.500 0.020 0.000 0.722 154 K HN 0.063 nan 8.250 nan 0.000 0.443 155 L N 0.677 121.936 121.223 0.060 0.000 2.253 155 L HA 0.087 4.427 4.340 0.000 0.000 0.205 155 L C 0.337 177.335 176.870 0.213 0.000 1.078 155 L CA 0.447 55.384 54.840 0.162 0.000 0.805 155 L CB 0.216 42.367 42.059 0.154 0.000 0.963 155 L HN 0.185 nan 8.230 nan 0.000 0.459 156 C N -0.120 119.203 119.300 0.039 0.000 2.281 156 C HA 0.116 4.576 4.460 0.000 0.000 0.336 156 C C 0.933 175.950 174.990 0.046 0.000 1.217 156 C CA -0.864 58.153 59.018 -0.002 0.000 1.730 156 C CB -0.998 26.617 27.740 -0.208 0.000 2.338 156 C HN 0.476 nan 8.230 nan 0.000 0.521 157 W N 1.931 123.189 121.300 -0.070 0.000 3.290 157 W HA 0.154 4.814 4.660 0.000 0.000 0.287 157 W C 1.344 177.843 176.519 -0.032 0.000 1.288 157 W CA 0.028 57.349 57.345 -0.040 0.000 1.725 157 W CB -0.127 29.321 29.460 -0.019 0.000 1.103 157 W HN 0.675 nan 8.180 nan 0.000 0.670 158 T N -3.733 110.891 114.554 0.117 0.000 2.876 158 T HA 0.293 4.643 4.350 0.000 0.000 0.289 158 T C 0.828 175.527 174.700 -0.001 0.000 1.014 158 T CA -0.614 61.527 62.100 0.068 0.000 0.986 158 T CB 2.629 71.563 68.868 0.111 0.000 1.021 158 T HN -0.246 nan 8.240 nan 0.000 0.458 159 E N 1.263 121.465 120.200 0.003 0.000 2.110 159 E HA -0.120 4.230 4.350 0.000 0.000 0.193 159 E C 2.128 178.729 176.600 0.001 0.000 0.988 159 E CA 1.376 57.767 56.400 -0.016 0.000 0.804 159 E CB -0.407 29.291 29.700 -0.003 0.000 0.745 159 E HN 0.757 nan 8.360 nan 0.000 0.458 160 S N 0.251 115.987 115.700 0.060 0.000 2.370 160 S HA -0.161 4.309 4.470 0.000 0.000 0.226 160 S C 2.017 176.675 174.600 0.097 0.000 1.033 160 S CA 1.532 59.818 58.200 0.143 0.000 1.011 160 S CB -0.046 63.292 63.200 0.230 0.000 0.852 160 S HN 0.297 nan 8.310 nan 0.000 0.457 161 A N 0.981 123.741 122.820 -0.101 0.000 1.970 161 A HA 0.081 4.401 4.320 0.000 0.000 0.216 161 A C 2.144 179.415 177.584 -0.521 0.000 1.170 161 A CA 1.399 53.060 52.037 -0.627 0.000 0.645 161 A CB -0.566 18.019 19.000 -0.692 0.000 0.816 161 A HN 0.608 nan 8.150 nan 0.000 0.447 162 K N -0.287 119.917 120.400 -0.327 0.000 2.148 162 K HA -0.172 4.148 4.320 0.000 0.000 0.204 162 K C 2.123 178.592 176.600 -0.217 0.000 1.050 162 K CA 1.498 57.598 56.287 -0.311 0.000 0.942 162 K CB -0.146 32.230 32.500 -0.205 0.000 0.724 162 K HN 0.645 nan 8.250 nan 0.000 0.446 163 Q N 0.404 120.136 119.800 -0.113 0.000 2.016 163 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 163 Q C 2.132 178.139 176.000 0.013 0.000 0.978 163 Q CA 1.344 57.136 55.803 -0.018 0.000 0.833 163 Q CB -0.156 28.613 28.738 0.052 0.000 0.895 163 Q HN 0.184 nan 8.270 nan 0.000 0.427 164 L N 0.667 121.903 121.223 0.022 0.000 2.083 164 L HA -0.139 4.201 4.340 0.000 0.000 0.209 164 L C 2.124 179.019 176.870 0.042 0.000 1.083 164 L CA 2.029 56.928 54.840 0.099 0.000 0.752 164 L CB -0.759 41.410 42.059 0.184 0.000 0.899 164 L HN 0.175 nan 8.230 nan 0.000 0.433 165 A N -2.094 120.564 122.820 -0.270 0.000 1.930 165 A HA -0.153 4.167 4.320 0.000 0.000 0.217 165 A C 2.248 179.799 177.584 -0.055 0.000 1.175 165 A CA 1.997 53.806 52.037 -0.379 0.000 0.627 165 A CB -0.995 17.257 19.000 -1.247 0.000 0.815 165 A HN 0.475 nan 8.150 nan 0.000 0.443 166 T N 0.171 114.662 114.554 -0.105 0.000 2.708 166 T HA -0.114 4.236 4.350 0.000 0.000 0.266 166 T C 1.862 176.570 174.700 0.013 0.000 1.037 166 T CA 1.391 63.452 62.100 -0.065 0.000 1.146 166 T CB -0.381 68.451 68.868 -0.059 0.000 0.865 166 T HN 0.366 nan 8.240 nan 0.000 0.435 167 L N 0.229 121.507 121.223 0.091 0.000 2.012 167 L HA -0.095 4.245 4.340 0.000 0.000 0.210 167 L C 2.238 179.223 176.870 0.192 0.000 1.073 167 L CA 1.568 56.497 54.840 0.148 0.000 0.748 167 L CB -0.405 41.776 42.059 0.203 0.000 0.891 167 L HN 0.239 nan 8.230 nan 0.000 0.431 168 F N -0.226 119.804 119.950 0.134 0.000 2.065 168 F HA -0.275 4.252 4.527 0.000 0.000 0.298 168 F C 2.115 178.020 175.800 0.176 0.000 1.112 168 F CA 2.274 60.410 58.000 0.227 0.000 1.212 168 F CB -0.778 38.496 39.000 0.457 0.000 0.975 168 F HN -0.131 nan 8.300 nan 0.000 0.476 169 V N 1.172 120.972 119.914 -0.190 0.000 2.295 169 V HA -0.359 3.761 4.120 0.000 0.000 0.246 169 V C 2.115 178.023 176.094 -0.309 0.000 1.049 169 V CA 2.414 64.398 62.300 -0.526 0.000 1.024 169 V CB -1.203 30.207 31.823 -0.687 0.000 0.648 169 V HN 0.433 nan 8.190 nan 0.000 0.447 170 N N 0.114 118.707 118.700 -0.178 0.000 2.037 170 N HA -0.246 4.494 4.740 0.000 0.000 0.196 170 N C 1.760 177.215 175.510 -0.092 0.000 1.034 170 N CA 1.457 54.435 53.050 -0.119 0.000 0.861 170 N CB -0.277 38.195 38.487 -0.025 0.000 1.039 170 N HN 0.275 nan 8.380 nan 0.000 0.427 171 L N 0.801 122.010 121.223 -0.024 0.000 2.141 171 L HA -0.080 4.260 4.340 0.000 0.000 0.209 171 L C 2.121 179.043 176.870 0.087 0.000 1.094 171 L CA 1.322 56.180 54.840 0.031 0.000 0.763 171 L CB -0.519 41.550 42.059 0.016 0.000 0.908 171 L HN 0.305 nan 8.230 nan 0.000 0.437 172 C N -1.862 117.446 119.300 0.013 0.000 2.500 172 C HA 0.010 4.470 4.460 0.000 0.000 0.279 172 C C 2.162 177.259 174.990 0.177 0.000 1.288 172 C CA 0.878 59.969 59.018 0.122 0.000 1.710 172 C CB -0.265 27.481 27.740 0.009 0.000 2.052 172 C HN 0.511 nan 8.230 nan 0.000 0.488 173 V N -1.952 117.947 119.914 -0.025 0.000 3.252 173 V HA 0.306 4.426 4.120 0.000 0.000 0.320 173 V C 0.727 176.670 176.094 -0.252 0.000 1.459 173 V CA 0.808 63.051 62.300 -0.096 0.000 1.095 173 V CB -1.280 30.588 31.823 0.074 0.000 0.997 173 V HN 0.538 nan 8.190 nan 0.000 0.469 174 T N -1.663 112.658 114.554 -0.387 0.000 3.897 174 T HA -0.096 4.254 4.350 0.000 0.000 0.353 174 T C 0.115 174.646 174.700 -0.282 0.000 0.758 174 T CA 1.356 63.210 62.100 -0.409 0.000 1.883 174 T CB -2.581 65.914 68.868 -0.623 0.000 1.849 174 T HN 2.444 nan 8.240 nan 0.000 0.791 175 A N -0.357 122.279 122.820 -0.306 0.000 2.587 175 A HA 0.735 5.055 4.320 0.000 0.000 0.293 175 A C -0.363 176.992 177.584 -0.382 0.000 1.087 175 A CA -1.051 50.732 52.037 -0.422 0.000 0.692 175 A CB 1.255 19.780 19.000 -0.791 0.000 1.291 175 A HN 0.351 nan 8.150 nan 0.000 0.407 176 E N 0.455 120.385 120.200 -0.450 0.000 2.374 176 E HA 0.238 4.588 4.350 0.000 0.000 0.260 176 E C 1.204 177.484 176.600 -0.532 0.000 1.101 176 E CA 0.512 56.620 56.400 -0.487 0.000 0.907 176 E CB 0.741 29.997 29.700 -0.740 0.000 1.014 176 E HN 0.794 nan 8.360 nan 0.000 0.427 177 T N -1.261 113.068 114.554 -0.376 0.000 2.759 177 T HA -0.210 4.140 4.350 0.000 0.000 0.269 177 T C 1.425 175.993 174.700 -0.220 0.000 1.042 177 T CA 1.696 63.631 62.100 -0.276 0.000 1.140 177 T CB -0.406 68.363 68.868 -0.165 0.000 0.864 177 T HN 0.618 nan 8.240 nan 0.000 0.455 178 H N 0.539 119.539 119.070 -0.117 0.000 2.556 178 H HA 0.286 4.842 4.556 0.000 0.000 0.268 178 H C 1.429 176.716 175.328 -0.069 0.000 0.996 178 H CA 0.666 56.667 56.048 -0.078 0.000 1.157 178 H CB -0.146 29.571 29.762 -0.074 0.000 1.355 178 H HN 0.501 nan 8.280 nan 0.000 0.597 179 E N 1.235 121.196 120.200 -0.398 0.000 2.216 179 E HA 0.049 4.399 4.350 0.000 0.000 0.192 179 E C 0.796 177.321 176.600 -0.124 0.000 0.973 179 E CA 0.419 56.664 56.400 -0.259 0.000 0.851 179 E CB 0.843 30.240 29.700 -0.505 0.000 0.804 179 E HN 0.346 nan 8.360 nan 0.000 0.477 180 V N -0.696 119.129 119.914 -0.150 0.000 2.630 180 V HA 0.406 4.526 4.120 0.000 0.000 0.305 180 V C 0.079 176.292 176.094 0.199 0.000 1.046 180 V CA -1.128 61.195 62.300 0.039 0.000 0.934 180 V CB 1.781 33.649 31.823 0.075 0.000 1.003 180 V HN -0.021 nan 8.190 nan 0.000 0.451 181 S N 3.006 118.908 115.700 0.336 0.000 2.560 181 S HA 0.460 4.930 4.470 0.000 0.000 0.284 181 S C 1.359 176.216 174.600 0.428 0.000 1.327 181 S CA 0.175 58.595 58.200 0.366 0.000 1.055 181 S CB 1.009 64.460 63.200 0.419 0.000 0.868 181 S HN 1.667 nan 8.310 nan 0.000 0.506 182 A N 4.723 127.727 122.820 0.307 0.000 1.872 182 A HA 0.030 4.350 4.320 0.000 0.000 0.214 182 A C 2.011 179.766 177.584 0.285 0.000 1.187 182 A CA 1.354 53.545 52.037 0.256 0.000 0.614 182 A CB -0.975 18.096 19.000 0.117 0.000 0.826 182 A HN 0.913 nan 8.150 nan 0.000 0.442 183 L N -1.158 120.275 121.223 0.350 0.000 1.978 183 L HA -0.221 4.119 4.340 0.000 0.000 0.218 183 L C 2.249 179.353 176.870 0.390 0.000 1.075 183 L CA 2.764 57.843 54.840 0.398 0.000 0.767 183 L CB -0.996 41.306 42.059 0.404 0.000 0.890 183 L HN 0.681 nan 8.230 nan 0.000 0.434 184 W N -0.891 120.567 121.300 0.262 0.000 2.363 184 W HA -0.275 4.385 4.660 0.000 0.000 0.296 184 W C 2.303 179.093 176.519 0.452 0.000 1.212 184 W CA 1.704 59.227 57.345 0.297 0.000 1.260 184 W CB -0.524 29.082 29.460 0.243 0.000 1.131 184 W HN 0.299 nan 8.180 nan 0.000 0.530 185 F N 0.585 120.613 119.950 0.130 0.000 2.259 185 F HA -0.063 4.464 4.527 0.000 0.000 0.298 185 F C 1.964 177.692 175.800 -0.120 0.000 1.088 185 F CA 1.745 59.616 58.000 -0.216 0.000 1.358 185 F CB -0.555 38.452 39.000 0.013 0.000 1.040 185 F HN -0.181 nan 8.300 nan 0.000 0.505 186 L N -1.239 119.959 121.223 -0.042 0.000 2.093 186 L HA -0.193 4.147 4.340 0.000 0.000 0.208 186 L C 2.304 179.090 176.870 -0.138 0.000 1.085 186 L CA 1.629 56.390 54.840 -0.133 0.000 0.755 186 L CB -1.029 40.986 42.059 -0.073 0.000 0.904 186 L HN 0.436 nan 8.230 nan 0.000 0.435 187 W N 0.116 121.285 121.300 -0.218 0.000 2.354 187 W HA -0.303 4.357 4.660 0.000 0.000 0.315 187 W C 2.635 178.947 176.519 -0.345 0.000 1.206 187 W CA 1.502 58.710 57.345 -0.227 0.000 1.290 187 W CB -0.725 28.643 29.460 -0.154 0.000 1.152 187 W HN 0.076 nan 8.180 nan 0.000 0.489 188 Y N 1.006 120.936 120.300 -0.618 0.000 2.030 188 Y HA -0.406 4.144 4.550 0.000 0.000 0.272 188 Y C 2.426 177.824 175.900 -0.837 0.000 1.185 188 Y CA 3.405 60.935 58.100 -0.948 0.000 1.120 188 Y CB -1.008 36.841 38.460 -1.018 0.000 0.955 188 Y HN -0.115 nan 8.280 nan 0.000 0.495 189 V N 0.930 120.440 119.914 -0.673 0.000 2.427 189 V HA -0.274 3.846 4.120 0.000 0.000 0.248 189 V C 2.485 178.257 176.094 -0.536 0.000 1.051 189 V CA 2.196 64.172 62.300 -0.538 0.000 1.048 189 V CB -0.686 30.900 31.823 -0.395 0.000 0.666 189 V HN 0.355 nan 8.190 nan 0.000 0.456 190 K N 1.298 121.386 120.400 -0.520 0.000 2.025 190 K HA -0.240 4.080 4.320 0.000 0.000 0.207 190 K C 2.222 178.497 176.600 -0.542 0.000 1.049 190 K CA 2.205 58.230 56.287 -0.435 0.000 0.933 190 K CB -0.215 32.100 32.500 -0.308 0.000 0.714 190 K HN 0.688 nan 8.250 nan 0.000 0.438 191 Q N -0.318 119.029 119.800 -0.755 0.000 2.437 191 Q HA -0.047 4.293 4.340 0.000 0.000 0.210 191 Q C 1.615 177.160 176.000 -0.758 0.000 0.972 191 Q CA 1.334 56.698 55.803 -0.732 0.000 0.903 191 Q CB -0.691 27.436 28.738 -1.017 0.000 0.967 191 Q HN 0.187 nan 8.270 nan 0.000 0.486 192 C N 0.663 119.367 119.300 -0.993 0.000 2.578 192 C HA 0.516 4.976 4.460 0.000 0.000 0.285 192 C C 1.617 175.839 174.990 -1.281 0.000 1.297 192 C CA 0.176 58.245 59.018 -1.581 0.000 1.690 192 C CB -1.357 25.487 27.740 -1.493 0.000 1.773 192 C HN 0.853 nan 8.230 nan 0.000 0.594 193 G N 0.149 108.531 108.800 -0.696 0.000 2.159 193 G HA2 0.234 4.194 3.960 0.000 0.000 0.256 193 G HA3 0.234 4.194 3.960 0.000 0.000 0.256 193 G C 0.491 175.199 174.900 -0.320 0.000 0.977 193 G CA 0.108 44.958 45.100 -0.417 0.000 0.652 193 G HN 1.718 nan 8.290 nan 0.000 0.531 194 G N -2.470 106.121 108.800 -0.348 0.000 2.541 194 G HA2 0.357 4.317 3.960 0.000 0.000 0.686 194 G HA3 0.357 4.317 3.960 0.000 0.000 0.686 194 G C 1.010 175.825 174.900 -0.141 0.000 1.286 194 G CA 0.928 45.895 45.100 -0.220 0.000 0.894 194 G HN 1.877 nan 8.290 nan 0.000 0.575 195 T N -2.842 111.672 114.554 -0.065 0.000 2.699 195 T HA -0.164 4.186 4.350 0.000 0.000 0.268 195 T C 2.307 176.966 174.700 -0.068 0.000 1.036 195 T CA 3.097 65.191 62.100 -0.009 0.000 1.147 195 T CB -0.755 68.103 68.868 -0.017 0.000 0.862 195 T HN 1.000 nan 8.240 nan 0.000 0.446 196 T N 1.112 115.636 114.554 -0.050 0.000 2.812 196 T HA 0.048 4.398 4.350 0.000 0.000 0.264 196 T C 2.110 176.773 174.700 -0.062 0.000 1.042 196 T CA 1.237 63.317 62.100 -0.034 0.000 1.140 196 T CB -0.297 68.601 68.868 0.050 0.000 0.870 196 T HN 0.297 nan 8.240 nan 0.000 0.445 197 R N 1.043 121.513 120.500 -0.050 0.000 2.081 197 R HA 0.141 4.481 4.340 0.000 0.000 0.235 197 R C 2.152 178.480 176.300 0.047 0.000 1.131 197 R CA 1.195 57.291 56.100 -0.006 0.000 0.960 197 R CB -0.848 29.413 30.300 -0.065 0.000 0.856 197 R HN 0.432 nan 8.270 nan 0.000 0.436 198 I N 0.271 120.829 120.570 -0.020 0.000 2.406 198 I HA -0.140 4.030 4.170 0.000 0.000 0.249 198 I C 1.810 177.994 176.117 0.111 0.000 1.122 198 I CA 1.067 62.408 61.300 0.070 0.000 1.431 198 I CB 0.033 38.048 38.000 0.026 0.000 1.087 198 I HN 0.308 nan 8.210 nan 0.000 0.424 199 I N -2.481 118.104 120.570 0.025 0.000 3.059 199 I HA 0.070 4.240 4.170 0.000 0.000 0.270 199 I C 0.843 176.897 176.117 -0.104 0.000 1.238 199 I CA 0.155 61.425 61.300 -0.050 0.000 1.478 199 I CB -0.061 37.805 38.000 -0.223 0.000 1.097 199 I HN -0.069 nan 8.210 nan 0.000 0.455 200 S N 0.904 116.552 115.700 -0.086 0.000 2.610 200 S HA 0.333 4.803 4.470 0.000 0.000 0.273 200 S C 0.849 175.418 174.600 -0.051 0.000 1.274 200 S CA -0.362 57.782 58.200 -0.092 0.000 1.023 200 S CB 1.893 65.041 63.200 -0.086 0.000 0.962 200 S HN 0.285 nan 8.310 nan 0.000 0.523 201 T N 1.754 116.277 114.554 -0.053 0.000 2.967 201 T HA 0.057 4.407 4.350 0.000 0.000 0.238 201 T C 0.456 175.125 174.700 -0.052 0.000 1.024 201 T CA 0.543 62.606 62.100 -0.062 0.000 1.234 201 T CB -0.356 68.474 68.868 -0.063 0.000 0.931 201 T HN 0.611 nan 8.240 nan 0.000 0.417 202 T N 3.683 118.213 114.554 -0.040 0.000 2.831 202 T HA 0.111 4.461 4.350 0.000 0.000 0.291 202 T C 0.703 175.389 174.700 -0.023 0.000 0.981 202 T CA 0.321 62.404 62.100 -0.028 0.000 1.174 202 T CB -0.108 68.750 68.868 -0.017 0.000 0.929 202 T HN 0.478 nan 8.240 nan 0.000 0.532 203 N N 0.696 119.385 118.700 -0.019 0.000 2.828 203 N HA -0.147 4.593 4.740 0.000 0.000 0.248 203 N C 0.241 175.753 175.510 0.004 0.000 1.044 203 N CA 1.507 54.553 53.050 -0.007 0.000 0.851 203 N CB -1.070 37.418 38.487 0.002 0.000 1.136 203 N HN 0.932 nan 8.380 nan 0.000 0.572 204 G N -2.937 105.858 108.800 -0.008 0.000 3.176 204 G HA2 0.588 4.548 3.960 0.000 0.000 0.272 204 G HA3 0.588 4.548 3.960 0.000 0.000 0.272 204 G C 0.906 175.799 174.900 -0.011 0.000 1.349 204 G CA -0.047 45.068 45.100 0.024 0.000 0.953 204 G HN 0.249 nan 8.290 nan 0.000 0.559 205 G N -1.175 107.646 108.800 0.036 0.000 2.598 205 G HA2 0.125 4.085 3.960 0.000 0.000 0.215 205 G HA3 0.125 4.085 3.960 0.000 0.000 0.215 205 G C 1.032 175.871 174.900 -0.102 0.000 1.131 205 G CA 0.682 45.710 45.100 -0.120 0.000 0.785 205 G HN 0.381 nan 8.290 nan 0.000 0.539 206 Q N -0.388 119.359 119.800 -0.088 0.000 2.175 206 Q HA 0.246 4.586 4.340 0.000 0.000 0.225 206 Q C 1.561 177.499 176.000 -0.104 0.000 0.837 206 Q CA -0.135 55.563 55.803 -0.176 0.000 1.032 206 Q CB 0.851 29.363 28.738 -0.377 0.000 1.137 206 Q HN 0.635 nan 8.270 nan 0.000 0.483 207 E N 0.547 120.696 120.200 -0.085 0.000 2.106 207 E HA -0.087 4.263 4.350 0.000 0.000 0.192 207 E C 0.009 176.548 176.600 -0.102 0.000 0.984 207 E CA 0.811 57.160 56.400 -0.084 0.000 0.806 207 E CB 0.432 30.079 29.700 -0.088 0.000 0.750 207 E HN 0.141 nan 8.360 nan 0.000 0.458 208 R N -1.169 119.253 120.500 -0.129 0.000 2.817 208 R HA 0.512 4.853 4.340 0.000 0.000 0.268 208 R C -1.195 174.893 176.300 -0.353 0.000 1.027 208 R CA -0.779 55.155 56.100 -0.277 0.000 0.928 208 R CB 1.941 32.062 30.300 -0.297 0.000 1.228 208 R HN -0.186 nan 8.270 nan 0.000 0.469 209 K N 0.617 120.663 120.400 -0.591 0.000 2.527 209 K HA 0.360 4.680 4.320 0.000 0.000 0.260 209 K C -1.347 174.995 176.600 -0.430 0.000 0.937 209 K CA -0.646 55.305 56.287 -0.559 0.000 0.826 209 K CB 1.855 34.053 32.500 -0.504 0.000 1.359 209 K HN 0.247 nan 8.250 nan 0.000 0.434 210 F N 1.262 121.188 119.950 -0.040 0.000 2.484 210 F HA 0.078 4.605 4.527 0.000 0.000 0.360 210 F C 0.769 176.642 175.800 0.122 0.000 1.101 210 F CA -0.700 57.315 58.000 0.025 0.000 1.251 210 F CB 0.586 39.565 39.000 -0.035 0.000 1.132 210 F HN 0.021 nan 8.300 nan 0.000 0.570 211 V N 3.581 123.684 119.914 0.316 0.000 2.485 211 V HA 0.249 4.369 4.120 0.000 0.000 0.287 211 V C 0.941 176.899 176.094 -0.226 0.000 1.022 211 V CA 1.085 63.463 62.300 0.129 0.000 1.067 211 V CB 0.191 32.072 31.823 0.098 0.000 0.967 211 V HN 1.102 nan 8.190 nan 0.000 0.479 212 G N 3.389 111.621 108.800 -0.948 0.000 2.199 212 G HA2 0.123 4.083 3.960 0.000 0.000 0.254 212 G HA3 0.123 4.083 3.960 0.000 0.000 0.254 212 G C 0.802 175.193 174.900 -0.849 0.000 0.982 212 G CA -0.047 44.260 45.100 -1.322 0.000 0.632 212 G HN 2.408 nan 8.290 nan 0.000 0.529 213 G N -1.413 107.176 108.800 -0.350 0.000 2.675 213 G HA2 0.338 4.298 3.960 0.000 0.000 0.686 213 G HA3 0.338 4.298 3.960 0.000 0.000 0.686 213 G C 0.831 175.760 174.900 0.048 0.000 1.215 213 G CA 0.875 45.983 45.100 0.014 0.000 0.777 213 G HN 1.914 nan 8.290 nan 0.000 0.638 214 S N -0.087 115.701 115.700 0.147 0.000 2.515 214 S HA 0.162 4.632 4.470 0.000 0.000 0.231 214 S C 2.443 177.032 174.600 -0.019 0.000 0.987 214 S CA 1.513 59.782 58.200 0.114 0.000 0.936 214 S CB 0.073 63.428 63.200 0.258 0.000 0.766 214 S HN 2.147 nan 8.310 nan 0.000 0.528 215 G N 1.376 110.174 108.800 -0.004 0.000 2.470 215 G HA2 -0.138 3.822 3.960 0.000 0.000 0.220 215 G HA3 -0.138 3.822 3.960 0.000 0.000 0.220 215 G C 1.424 176.289 174.900 -0.057 0.000 1.121 215 G CA 0.474 45.569 45.100 -0.008 0.000 0.766 215 G HN 0.650 nan 8.290 nan 0.000 0.553 216 Q N -0.132 119.602 119.800 -0.109 0.000 2.364 216 Q HA -0.020 4.320 4.340 0.000 0.000 0.209 216 Q C 2.595 178.499 176.000 -0.160 0.000 0.977 216 Q CA 0.631 56.352 55.803 -0.137 0.000 0.885 216 Q CB -0.100 28.535 28.738 -0.173 0.000 0.941 216 Q HN 0.425 nan 8.270 nan 0.000 0.464 217 V N 0.152 119.948 119.914 -0.196 0.000 2.244 217 V HA -0.259 3.861 4.120 0.000 0.000 0.244 217 V C 2.115 178.142 176.094 -0.112 0.000 1.042 217 V CA 2.090 64.268 62.300 -0.203 0.000 1.006 217 V CB -0.522 31.159 31.823 -0.238 0.000 0.641 217 V HN 0.304 nan 8.190 nan 0.000 0.446 218 S N -0.524 115.134 115.700 -0.069 0.000 2.368 218 S HA -0.232 4.238 4.470 0.000 0.000 0.225 218 S C 1.891 176.469 174.600 -0.038 0.000 1.030 218 S CA 1.658 59.837 58.200 -0.035 0.000 0.999 218 S CB -0.335 62.867 63.200 0.002 0.000 0.844 218 S HN 0.661 nan 8.310 nan 0.000 0.459 219 E N 0.934 121.110 120.200 -0.040 0.000 2.070 219 E HA -0.160 4.190 4.350 0.000 0.000 0.197 219 E C 2.396 178.965 176.600 -0.052 0.000 1.004 219 E CA 1.113 57.490 56.400 -0.039 0.000 0.805 219 E CB -0.110 29.565 29.700 -0.043 0.000 0.744 219 E HN 0.355 nan 8.360 nan 0.000 0.451 220 R N 0.164 120.623 120.500 -0.070 0.000 2.115 220 R HA -0.028 4.312 4.340 0.000 0.000 0.226 220 R C 2.388 178.648 176.300 -0.067 0.000 1.100 220 R CA 0.801 56.859 56.100 -0.070 0.000 0.980 220 R CB -0.135 30.114 30.300 -0.085 0.000 0.875 220 R HN 0.212 nan 8.270 nan 0.000 0.445 221 I N 0.648 121.177 120.570 -0.069 0.000 2.226 221 I HA -0.328 3.842 4.170 0.000 0.000 0.245 221 I C 2.658 178.728 176.117 -0.078 0.000 1.100 221 I CA 1.318 62.575 61.300 -0.070 0.000 1.374 221 I CB -0.283 37.680 38.000 -0.061 0.000 1.057 221 I HN 0.255 nan 8.210 nan 0.000 0.413 222 M N 0.964 120.526 119.600 -0.064 0.000 2.149 222 M HA -0.251 4.229 4.480 0.000 0.000 0.261 222 M C 1.670 177.932 176.300 -0.063 0.000 1.064 222 M CA 2.001 57.264 55.300 -0.061 0.000 1.102 222 M CB -0.269 32.307 32.600 -0.040 0.000 1.369 222 M HN 0.143 nan 8.290 nan 0.000 0.408 223 D N 0.958 121.325 120.400 -0.055 0.000 2.106 223 D HA -0.195 4.445 4.640 0.000 0.000 0.191 223 D C 2.008 178.272 176.300 -0.061 0.000 0.997 223 D CA 1.656 55.627 54.000 -0.050 0.000 0.834 223 D CB -0.654 40.120 40.800 -0.044 0.000 0.956 223 D HN 0.431 nan 8.370 nan 0.000 0.448 224 L N 0.042 121.220 121.223 -0.075 0.000 2.127 224 L HA -0.131 4.209 4.340 0.000 0.000 0.211 224 L C 2.431 179.194 176.870 -0.179 0.000 1.089 224 L CA 0.699 55.482 54.840 -0.095 0.000 0.757 224 L CB -0.296 41.709 42.059 -0.090 0.000 0.899 224 L HN 0.051 nan 8.230 nan 0.000 0.434 225 L N -1.246 119.855 121.223 -0.202 0.000 2.375 225 L HA 0.141 4.481 4.340 0.000 0.000 0.215 225 L C 1.768 178.557 176.870 -0.135 0.000 1.108 225 L CA 0.454 55.137 54.840 -0.262 0.000 0.830 225 L CB -0.763 41.163 42.059 -0.222 0.000 0.959 225 L HN 0.455 nan 8.230 nan 0.000 0.457 226 G N 2.240 110.988 108.800 -0.086 0.000 2.596 226 G HA2 -0.469 3.491 3.960 0.000 0.000 0.304 226 G HA3 -0.469 3.491 3.960 0.000 0.000 0.304 226 G C 0.379 175.259 174.900 -0.034 0.000 1.189 226 G CA 0.713 45.786 45.100 -0.046 0.000 0.986 226 G HN 0.589 nan 8.290 nan 0.000 0.548 227 D N 0.536 120.926 120.400 -0.016 0.000 2.324 227 D HA 0.225 4.865 4.640 0.000 0.000 0.235 227 D C 2.000 178.303 176.300 0.004 0.000 1.095 227 D CA 0.671 54.670 54.000 -0.002 0.000 0.871 227 D CB -0.030 40.776 40.800 0.010 0.000 0.906 227 D HN 0.596 nan 8.370 nan 0.000 0.522 228 R N 0.012 120.504 120.500 -0.013 0.000 2.153 228 R HA 0.102 4.442 4.340 0.000 0.000 0.218 228 R C 0.142 176.421 176.300 -0.034 0.000 1.072 228 R CA 0.260 56.353 56.100 -0.012 0.000 0.990 228 R CB 0.192 30.475 30.300 -0.027 0.000 0.889 228 R HN 0.145 nan 8.270 nan 0.000 0.452 229 V N 3.426 123.314 119.914 -0.043 0.000 2.439 229 V HA 0.057 4.177 4.120 0.000 0.000 0.271 229 V C 0.065 176.137 176.094 -0.036 0.000 1.040 229 V CA -0.035 62.236 62.300 -0.048 0.000 1.002 229 V CB 0.894 32.690 31.823 -0.045 0.000 1.000 229 V HN 0.071 nan 8.190 nan 0.000 0.477 230 K N 6.501 126.870 120.400 -0.052 0.000 2.263 230 K HA 0.565 4.885 4.320 0.000 0.000 0.272 230 K C -0.681 175.893 176.600 -0.044 0.000 1.033 230 K CA -0.350 55.916 56.287 -0.035 0.000 0.884 230 K CB 2.026 34.499 32.500 -0.045 0.000 1.107 230 K HN 0.491 nan 8.250 nan 0.000 0.460 231 L N 1.568 122.776 121.223 -0.025 0.000 2.375 231 L HA 0.203 4.543 4.340 0.000 0.000 0.268 231 L C 0.701 177.553 176.870 -0.031 0.000 1.058 231 L CA -0.328 54.494 54.840 -0.031 0.000 0.803 231 L CB 0.464 42.514 42.059 -0.015 0.000 1.212 231 L HN 0.709 nan 8.230 nan 0.000 0.451 232 E N 0.350 120.520 120.200 -0.050 0.000 2.440 232 E HA -0.246 4.104 4.350 0.000 0.000 0.246 232 E C -0.443 176.133 176.600 -0.041 0.000 1.165 232 E CA 0.326 56.695 56.400 -0.051 0.000 0.726 232 E CB -0.913 28.775 29.700 -0.020 0.000 1.271 232 E HN 0.366 nan 8.360 nan 0.000 0.397 233 R N 0.302 120.765 120.500 -0.062 0.000 3.050 233 R HA 0.237 4.577 4.340 0.000 0.000 0.275 233 R C -2.648 173.604 176.300 -0.081 0.000 1.373 233 R CA -1.925 54.150 56.100 -0.042 0.000 1.612 233 R CB 0.503 30.780 30.300 -0.039 0.000 1.218 233 R HN 0.001 nan 8.270 nan 0.000 0.621 234 P HA 0.011 nan 4.420 nan 0.000 0.271 234 P C -0.344 176.955 177.300 -0.001 0.000 1.226 234 P CA -0.158 62.876 63.100 -0.111 0.000 0.765 234 P CB 0.982 32.640 31.700 -0.070 0.000 0.835 235 V N 5.556 125.470 119.914 0.000 0.000 2.555 235 V HA 0.079 4.199 4.120 0.000 0.000 0.286 235 V C 1.656 177.787 176.094 0.062 0.000 1.044 235 V CA 0.395 62.710 62.300 0.024 0.000 1.026 235 V CB 0.496 32.315 31.823 -0.006 0.000 0.981 235 V HN 0.525 nan 8.190 nan 0.000 0.480 236 I N 1.896 122.510 120.570 0.074 0.000 4.288 236 I HA 0.450 4.620 4.170 0.000 0.000 0.331 236 I C -0.062 176.136 176.117 0.135 0.000 1.322 236 I CA 0.050 61.413 61.300 0.104 0.000 1.149 236 I CB 0.572 38.612 38.000 0.066 0.000 1.112 236 I HN 0.504 nan 8.210 nan 0.000 0.403 237 Y N 1.894 122.133 120.300 -0.101 0.000 2.436 237 Y HA 0.667 5.217 4.550 0.000 0.000 0.327 237 Y C -1.954 173.848 175.900 -0.164 0.000 1.138 237 Y CA -1.467 56.550 58.100 -0.139 0.000 1.042 237 Y CB 1.593 39.995 38.460 -0.096 0.000 1.302 237 Y HN -0.024 nan 8.280 nan 0.000 0.439 238 I N 6.060 126.156 120.570 -0.790 0.000 2.447 238 I HA 0.287 4.457 4.170 0.000 0.000 0.287 238 I C -1.359 174.358 176.117 -0.666 0.000 1.023 238 I CA -0.664 60.271 61.300 -0.607 0.000 1.083 238 I CB 1.829 39.590 38.000 -0.398 0.000 1.245 238 I HN 0.548 nan 8.210 nan 0.000 0.434 239 D N 6.659 126.747 120.400 -0.521 0.000 2.440 239 D HA 0.258 4.898 4.640 0.000 0.000 0.239 239 D C -0.271 175.958 176.300 -0.119 0.000 1.084 239 D CA -0.222 53.584 54.000 -0.324 0.000 0.843 239 D CB 1.550 42.199 40.800 -0.251 0.000 1.097 239 D HN 0.547 nan 8.370 nan 0.000 0.531 240 Q N 1.844 121.613 119.800 -0.053 0.000 2.175 240 Q HA 0.077 4.417 4.340 0.000 0.000 0.225 240 Q C 1.354 177.349 176.000 -0.007 0.000 0.837 240 Q CA -0.056 55.734 55.803 -0.021 0.000 1.032 240 Q CB 0.704 29.444 28.738 0.003 0.000 1.137 240 Q HN 0.513 nan 8.270 nan 0.000 0.483 241 T N -2.589 111.965 114.554 -0.001 0.000 3.023 241 T HA 0.081 4.431 4.350 0.000 0.000 0.266 241 T C 0.951 175.653 174.700 0.004 0.000 1.093 241 T CA 0.299 62.405 62.100 0.011 0.000 1.129 241 T CB 0.275 69.159 68.868 0.026 0.000 0.899 241 T HN 0.002 nan 8.240 nan 0.000 0.491 242 R N 0.583 121.081 120.500 -0.003 0.000 2.700 242 R HA 0.474 4.814 4.340 0.000 0.000 0.253 242 R C 1.631 177.919 176.300 -0.020 0.000 1.091 242 R CA -0.604 55.492 56.100 -0.006 0.000 1.104 242 R CB 0.513 30.813 30.300 -0.001 0.000 1.202 242 R HN 0.142 nan 8.270 nan 0.000 0.532 243 E N 0.612 120.799 120.200 -0.021 0.000 2.049 243 E HA -0.200 4.150 4.350 0.000 0.000 0.198 243 E C -0.352 176.216 176.600 -0.054 0.000 1.007 243 E CA 1.306 57.686 56.400 -0.033 0.000 0.809 243 E CB 0.119 29.804 29.700 -0.025 0.000 0.749 243 E HN 0.336 nan 8.360 nan 0.000 0.450 244 N N 0.166 118.838 118.700 -0.046 0.000 2.492 244 N HA 0.167 4.907 4.740 0.000 0.000 0.289 244 N C -0.818 174.662 175.510 -0.050 0.000 1.133 244 N CA -0.343 52.672 53.050 -0.059 0.000 0.961 244 N CB 1.954 40.418 38.487 -0.038 0.000 1.186 244 N HN -0.137 nan 8.380 nan 0.000 0.493 245 V N 1.978 121.856 119.914 -0.061 0.000 2.555 245 V HA 0.176 4.296 4.120 0.000 0.000 0.286 245 V C 0.431 176.514 176.094 -0.019 0.000 1.044 245 V CA -0.331 61.943 62.300 -0.043 0.000 1.026 245 V CB 0.233 32.032 31.823 -0.041 0.000 0.981 245 V HN 0.352 nan 8.190 nan 0.000 0.480 246 L N 5.673 126.880 121.223 -0.028 0.000 2.282 246 L HA 0.590 4.930 4.340 0.000 0.000 0.288 246 L C -0.581 176.273 176.870 -0.026 0.000 1.033 246 L CA -0.495 54.344 54.840 -0.002 0.000 0.807 246 L CB 1.642 43.712 42.059 0.019 0.000 1.209 246 L HN 0.358 nan 8.230 nan 0.000 0.423 247 V N 2.745 122.690 119.914 0.051 0.000 2.407 247 V HA 0.318 4.438 4.120 0.000 0.000 0.291 247 V C -0.206 175.983 176.094 0.159 0.000 1.018 247 V CA -0.619 61.712 62.300 0.052 0.000 0.842 247 V CB 1.694 33.542 31.823 0.042 0.000 0.996 247 V HN 0.730 nan 8.190 nan 0.000 0.426 248 E N 2.979 123.274 120.200 0.158 0.000 2.191 248 E HA 0.542 4.892 4.350 0.000 0.000 0.278 248 E C 0.019 176.708 176.600 0.147 0.000 0.972 248 E CA -0.437 56.073 56.400 0.183 0.000 0.804 248 E CB 1.640 31.462 29.700 0.204 0.000 1.110 248 E HN 0.835 nan 8.360 nan 0.000 0.394 249 T N 1.087 115.739 114.554 0.164 0.000 2.881 249 T HA 0.122 4.472 4.350 0.000 0.000 0.278 249 T C 1.118 175.891 174.700 0.122 0.000 0.982 249 T CA -0.775 61.401 62.100 0.126 0.000 0.989 249 T CB 0.978 69.930 68.868 0.140 0.000 1.058 249 T HN 0.471 nan 8.240 nan 0.000 0.529 250 L N 1.507 122.795 121.223 0.109 0.000 2.131 250 L HA 0.013 4.353 4.340 0.000 0.000 0.210 250 L C 1.803 178.787 176.870 0.190 0.000 1.092 250 L CA 1.958 56.877 54.840 0.132 0.000 0.759 250 L CB -1.062 41.060 42.059 0.105 0.000 0.903 250 L HN 0.932 nan 8.230 nan 0.000 0.435 251 N N -2.560 116.222 118.700 0.137 0.000 2.416 251 N HA -0.047 4.693 4.740 0.000 0.000 0.215 251 N C 0.321 175.937 175.510 0.176 0.000 1.208 251 N CA 0.296 53.400 53.050 0.091 0.000 0.834 251 N CB -0.505 38.007 38.487 0.042 0.000 1.072 251 N HN 0.482 nan 8.380 nan 0.000 0.472 252 H N -2.418 116.666 119.070 0.023 0.000 3.641 252 H HA -0.181 4.375 4.556 0.000 0.000 0.193 252 H C -0.668 174.668 175.328 0.012 0.000 1.013 252 H CA 0.722 56.775 56.048 0.009 0.000 1.212 252 H CB -1.155 28.602 29.762 -0.009 0.000 1.089 252 H HN 0.611 nan 8.280 nan 0.000 0.339 253 E N 0.881 121.166 120.200 0.143 0.000 2.398 253 E HA 0.264 4.614 4.350 0.000 0.000 0.263 253 E C 0.123 176.750 176.600 0.045 0.000 1.046 253 E CA 0.074 56.507 56.400 0.056 0.000 0.908 253 E CB 0.818 30.580 29.700 0.104 0.000 0.963 253 E HN 0.055 nan 8.360 nan 0.000 0.431 254 M N 2.841 122.367 119.600 -0.124 0.000 2.321 254 M HA 0.318 4.798 4.480 0.000 0.000 0.315 254 M C -1.996 174.127 176.300 -0.296 0.000 1.052 254 M CA -0.453 54.804 55.300 -0.071 0.000 0.936 254 M CB 0.916 33.487 32.600 -0.049 0.000 1.639 254 M HN 0.360 nan 8.290 nan 0.000 0.433 255 Y N 1.488 121.798 120.300 0.016 0.000 2.468 255 Y HA 0.634 5.184 4.550 0.000 0.000 0.342 255 Y C -0.396 175.506 175.900 0.003 0.000 1.021 255 Y CA -0.671 57.435 58.100 0.009 0.000 1.079 255 Y CB 1.782 40.247 38.460 0.008 0.000 1.226 255 Y HN 0.586 nan 8.280 nan 0.000 0.460 256 E N 1.476 121.751 120.200 0.126 0.000 2.244 256 E HA 0.767 5.117 4.350 0.000 0.000 0.260 256 E C -1.534 175.103 176.600 0.062 0.000 0.884 256 E CA -0.590 55.848 56.400 0.062 0.000 0.777 256 E CB 1.185 30.896 29.700 0.019 0.000 1.197 256 E HN 0.762 nan 8.360 nan 0.000 0.416 257 A N 3.537 126.380 122.820 0.038 0.000 2.435 257 A HA 0.423 4.743 4.320 0.000 0.000 0.296 257 A C 0.361 177.920 177.584 -0.040 0.000 1.147 257 A CA -0.614 51.439 52.037 0.027 0.000 0.775 257 A CB 1.371 20.405 19.000 0.056 0.000 1.340 257 A HN 0.662 nan 8.150 nan 0.000 0.427 258 K N -0.795 119.570 120.400 -0.059 0.000 2.062 258 K HA 0.033 4.353 4.320 0.000 0.000 0.205 258 K C -0.575 175.706 176.600 -0.530 0.000 1.051 258 K CA 1.508 57.640 56.287 -0.257 0.000 0.941 258 K CB -0.142 32.272 32.500 -0.144 0.000 0.719 258 K HN 0.621 nan 8.250 nan 0.000 0.440 259 Y N -1.188 119.130 120.300 0.031 0.000 2.644 259 Y HA 0.409 4.959 4.550 0.000 0.000 0.338 259 Y C -0.555 175.369 175.900 0.040 0.000 1.119 259 Y CA -1.322 56.812 58.100 0.055 0.000 1.060 259 Y CB 1.818 40.304 38.460 0.043 0.000 1.294 259 Y HN -0.412 nan 8.280 nan 0.000 0.472 260 V N 2.469 122.530 119.914 0.245 0.000 2.789 260 V HA 0.479 4.599 4.120 0.000 0.000 0.311 260 V C -0.791 175.357 176.094 0.091 0.000 1.073 260 V CA -0.895 61.474 62.300 0.114 0.000 0.921 260 V CB 2.284 34.139 31.823 0.053 0.000 1.009 260 V HN 0.545 nan 8.190 nan 0.000 0.426 261 I N 2.623 123.216 120.570 0.038 0.000 2.330 261 I HA 0.330 4.500 4.170 0.000 0.000 0.289 261 I C 0.322 176.440 176.117 0.003 0.000 1.001 261 I CA -0.147 61.160 61.300 0.012 0.000 1.193 261 I CB 1.877 39.887 38.000 0.016 0.000 1.345 261 I HN 0.637 nan 8.210 nan 0.000 0.461 262 S N 5.649 121.329 115.700 -0.034 0.000 2.400 262 S HA 0.488 4.958 4.470 0.000 0.000 0.295 262 S C 0.421 175.114 174.600 0.154 0.000 1.113 262 S CA -0.467 57.784 58.200 0.086 0.000 1.064 262 S CB 0.416 63.726 63.200 0.184 0.000 0.990 262 S HN 0.704 nan 8.310 nan 0.000 0.502 263 A N 6.151 129.045 122.820 0.124 0.000 3.041 263 A HA 0.512 4.832 4.320 0.000 0.000 0.307 263 A C 0.217 177.880 177.584 0.132 0.000 1.116 263 A CA -0.720 51.393 52.037 0.127 0.000 1.001 263 A CB -0.570 18.480 19.000 0.084 0.000 1.112 263 A HN 0.924 nan 8.150 nan 0.000 0.556 264 I N -4.277 116.388 120.570 0.159 0.000 3.002 264 I HA 0.697 4.867 4.170 0.000 0.000 0.310 264 I C -3.035 173.177 176.117 0.157 0.000 1.087 264 I CA -3.172 58.219 61.300 0.152 0.000 1.017 264 I CB 1.651 39.745 38.000 0.157 0.000 1.226 264 I HN -0.153 nan 8.210 nan 0.000 0.443 265 P HA 0.150 nan 4.420 nan 0.000 0.265 265 P C -2.170 175.184 177.300 0.090 0.000 1.187 265 P CA -0.601 62.566 63.100 0.112 0.000 0.766 265 P CB 0.029 31.781 31.700 0.087 0.000 0.820 266 P HA -0.234 nan 4.420 nan 0.000 0.216 266 P C 1.625 178.902 177.300 -0.039 0.000 1.154 266 P CA 1.827 64.928 63.100 0.003 0.000 0.865 266 P CB -0.224 31.449 31.700 -0.044 0.000 0.789 267 T N -1.138 113.372 114.554 -0.073 0.000 2.821 267 T HA -0.071 4.279 4.350 0.000 0.000 0.267 267 T C 1.522 176.213 174.700 -0.015 0.000 1.046 267 T CA 0.799 62.847 62.100 -0.086 0.000 1.139 267 T CB -0.855 67.929 68.868 -0.140 0.000 0.871 267 T HN -0.029 nan 8.240 nan 0.000 0.454 268 L N 0.660 121.903 121.223 0.033 0.000 2.549 268 L HA 0.061 4.401 4.340 0.000 0.000 0.230 268 L C 2.725 179.670 176.870 0.124 0.000 1.162 268 L CA 0.660 55.549 54.840 0.082 0.000 0.834 268 L CB -0.740 41.394 42.059 0.126 0.000 0.947 268 L HN 0.342 nan 8.230 nan 0.000 0.452 269 G N -0.255 108.621 108.800 0.127 0.000 2.448 269 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 269 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 269 G C 1.607 176.642 174.900 0.225 0.000 1.127 269 G CA 0.220 45.447 45.100 0.212 0.000 0.766 269 G HN 0.131 nan 8.290 nan 0.000 0.552 270 M N 0.656 120.319 119.600 0.104 0.000 2.267 270 M HA -0.038 4.442 4.480 0.000 0.000 0.263 270 M C 2.091 178.430 176.300 0.065 0.000 1.063 270 M CA 1.104 56.439 55.300 0.058 0.000 1.090 270 M CB -0.609 31.986 32.600 -0.008 0.000 1.392 270 M HN 0.249 nan 8.290 nan 0.000 0.422 271 K N -0.251 120.210 120.400 0.102 0.000 2.525 271 K HA 0.175 4.495 4.320 0.000 0.000 0.192 271 K C 0.317 177.015 176.600 0.164 0.000 1.029 271 K CA 0.327 56.687 56.287 0.122 0.000 1.029 271 K CB 0.167 32.753 32.500 0.144 0.000 0.814 271 K HN 0.319 nan 8.250 nan 0.000 0.503 272 I N 0.882 121.528 120.570 0.128 0.000 2.474 272 I HA 0.169 4.339 4.170 0.000 0.000 0.294 272 I C 0.041 176.134 176.117 -0.040 0.000 1.005 272 I CA -0.841 60.463 61.300 0.007 0.000 1.113 272 I CB 1.557 39.414 38.000 -0.239 0.000 1.289 272 I HN 0.053 nan 8.210 nan 0.000 0.436 273 H N 5.571 124.570 119.070 -0.118 0.000 2.489 273 H HA 0.408 4.964 4.556 0.000 0.000 0.322 273 H C -1.232 174.030 175.328 -0.110 0.000 1.091 273 H CA -0.401 55.677 56.048 0.049 0.000 1.291 273 H CB 1.504 31.365 29.762 0.165 0.000 1.436 273 H HN 0.304 nan 8.280 nan 0.000 0.480 274 F N 1.690 121.730 119.950 0.149 0.000 2.480 274 F HA 0.202 4.729 4.527 0.000 0.000 0.329 274 F C 0.424 176.253 175.800 0.048 0.000 1.091 274 F CA -0.773 57.245 58.000 0.030 0.000 0.972 274 F CB 1.630 40.639 39.000 0.016 0.000 1.150 274 F HN 0.485 nan 8.300 nan 0.000 0.467 275 N N 3.612 122.387 118.700 0.125 0.000 2.430 275 N HA 0.445 5.185 4.740 0.000 0.000 0.290 275 N C -3.082 172.467 175.510 0.066 0.000 1.063 275 N CA -2.259 50.859 53.050 0.115 0.000 0.883 275 N CB 2.331 40.906 38.487 0.147 0.000 1.465 275 N HN 0.058 nan 8.380 nan 0.000 0.493 276 P HA 0.292 nan 4.420 nan 0.000 0.274 276 P C -2.662 174.705 177.300 0.112 0.000 1.260 276 P CA -0.929 62.221 63.100 0.084 0.000 0.793 276 P CB -0.456 31.276 31.700 0.053 0.000 1.048 277 P HA 0.109 nan 4.420 nan 0.000 0.269 277 P C 0.197 177.500 177.300 0.005 0.000 1.215 277 P CA 0.065 63.215 63.100 0.083 0.000 0.780 277 P CB 0.186 31.918 31.700 0.053 0.000 0.898 278 L N 3.406 124.570 121.223 -0.099 0.000 2.536 278 L HA 0.029 4.369 4.340 0.000 0.000 0.294 278 L C -1.430 175.377 176.870 -0.106 0.000 1.257 278 L CA -1.126 53.590 54.840 -0.206 0.000 0.850 278 L CB -0.639 41.206 42.059 -0.356 0.000 1.105 278 L HN 0.344 nan 8.230 nan 0.000 0.517 279 P HA -0.047 nan 4.420 nan 0.000 0.272 279 P C 0.577 177.839 177.300 -0.064 0.000 1.230 279 P CA -0.403 62.661 63.100 -0.061 0.000 0.788 279 P CB 0.553 32.222 31.700 -0.051 0.000 0.949 280 M N 1.273 120.849 119.600 -0.041 0.000 2.116 280 M HA -0.216 4.264 4.480 0.000 0.000 0.255 280 M C 1.225 177.524 176.300 -0.003 0.000 1.075 280 M CA 2.280 57.565 55.300 -0.025 0.000 1.087 280 M CB -0.300 32.289 32.600 -0.018 0.000 1.340 280 M HN 0.163 nan 8.290 nan 0.000 0.402 281 M N -0.788 118.809 119.600 -0.006 0.000 2.248 281 M HA -0.067 4.414 4.480 0.000 0.000 0.265 281 M C 2.264 178.601 176.300 0.062 0.000 1.079 281 M CA 1.463 56.802 55.300 0.065 0.000 1.150 281 M CB -1.191 31.393 32.600 -0.027 0.000 1.366 281 M HN 0.389 nan 8.290 nan 0.000 0.433 282 R N 0.838 121.302 120.500 -0.059 0.000 2.083 282 R HA -0.212 4.128 4.340 0.000 0.000 0.237 282 R C 2.011 178.215 176.300 -0.160 0.000 1.137 282 R CA 2.154 58.166 56.100 -0.145 0.000 0.951 282 R CB -0.317 29.851 30.300 -0.220 0.000 0.851 282 R HN 0.332 nan 8.270 nan 0.000 0.434 283 N N 0.231 118.850 118.700 -0.135 0.000 2.060 283 N HA -0.245 4.495 4.740 0.000 0.000 0.195 283 N C 1.619 177.052 175.510 -0.129 0.000 1.028 283 N CA 2.060 55.032 53.050 -0.129 0.000 0.861 283 N CB -0.037 38.398 38.487 -0.087 0.000 1.029 283 N HN 0.378 nan 8.380 nan 0.000 0.428 284 Q N -1.154 118.583 119.800 -0.106 0.000 2.163 284 Q HA -0.043 4.297 4.340 0.000 0.000 0.198 284 Q C 2.010 177.760 176.000 -0.416 0.000 0.954 284 Q CA 0.635 56.326 55.803 -0.186 0.000 0.851 284 Q CB -0.128 28.581 28.738 -0.048 0.000 0.928 284 Q HN 0.492 nan 8.270 nan 0.000 0.459 285 M N 1.587 120.942 119.600 -0.408 0.000 2.089 285 M HA -0.198 4.282 4.480 0.000 0.000 0.257 285 M C 2.031 178.092 176.300 -0.398 0.000 1.071 285 M CA 1.734 56.734 55.300 -0.501 0.000 1.096 285 M CB -0.520 31.957 32.600 -0.204 0.000 1.330 285 M HN 0.299 nan 8.290 nan 0.000 0.403 286 I N -1.741 118.657 120.570 -0.285 0.000 3.083 286 I HA -0.096 4.074 4.170 0.000 0.000 0.273 286 I C 1.620 177.599 176.117 -0.230 0.000 1.297 286 I CA 1.424 62.584 61.300 -0.233 0.000 1.452 286 I CB -1.176 36.730 38.000 -0.157 0.000 1.078 286 I HN 0.318 nan 8.210 nan 0.000 0.484 287 T N -2.238 112.161 114.554 -0.259 0.000 3.144 287 T HA 0.289 4.639 4.350 0.000 0.000 0.249 287 T C 1.394 175.926 174.700 -0.280 0.000 1.089 287 T CA -0.173 61.788 62.100 -0.231 0.000 0.989 287 T CB -0.060 68.694 68.868 -0.190 0.000 0.992 287 T HN 0.453 nan 8.240 nan 0.000 0.540 288 R N 0.320 120.599 120.500 -0.368 0.000 2.541 288 R HA 0.280 4.620 4.340 0.000 0.000 0.332 288 R C -0.159 175.824 176.300 -0.528 0.000 0.951 288 R CA 0.096 55.944 56.100 -0.419 0.000 1.136 288 R CB 1.645 31.642 30.300 -0.504 0.000 1.449 288 R HN 0.421 nan 8.270 nan 0.000 0.531 289 V N 0.081 119.655 119.914 -0.567 0.000 2.313 289 V HA 0.509 4.629 4.120 0.000 0.000 0.262 289 V C -2.637 173.087 176.094 -0.617 0.000 1.011 289 V CA -2.188 59.658 62.300 -0.757 0.000 0.858 289 V CB 0.618 31.954 31.823 -0.812 0.000 1.104 289 V HN -0.117 nan 8.190 nan 0.000 0.456 290 P HA 0.543 nan 4.420 nan 0.000 0.278 290 P C -0.751 176.189 177.300 -0.600 0.000 1.258 290 P CA -0.442 62.299 63.100 -0.599 0.000 0.811 290 P CB 2.142 33.476 31.700 -0.610 0.000 1.063 291 L N 0.202 121.265 121.223 -0.266 0.000 2.334 291 L HA 0.601 4.941 4.340 0.000 0.000 0.270 291 L C 1.398 178.308 176.870 0.068 0.000 1.018 291 L CA -0.222 54.574 54.840 -0.074 0.000 0.811 291 L CB 0.950 43.000 42.059 -0.014 0.000 1.271 291 L HN 0.496 nan 8.230 nan 0.000 0.443 292 G N -0.072 108.796 108.800 0.112 0.000 2.516 292 G HA2 0.458 4.418 3.960 0.000 0.000 0.276 292 G HA3 0.458 4.418 3.960 0.000 0.000 0.276 292 G C -0.847 174.059 174.900 0.010 0.000 1.390 292 G CA -0.352 44.792 45.100 0.074 0.000 1.050 292 G HN 0.496 nan 8.290 nan 0.000 0.519 293 S N -1.543 114.132 115.700 -0.042 0.000 2.594 293 S HA 0.596 5.066 4.470 0.000 0.000 0.296 293 S C -1.134 173.449 174.600 -0.029 0.000 1.124 293 S CA -0.489 57.710 58.200 -0.002 0.000 1.011 293 S CB 1.725 64.935 63.200 0.017 0.000 1.016 293 S HN 0.868 nan 8.310 nan 0.000 0.485 294 V N 4.485 124.433 119.914 0.057 0.000 3.077 294 V HA 0.605 4.725 4.120 0.000 0.000 0.299 294 V C -2.021 174.228 176.094 0.259 0.000 1.276 294 V CA -0.755 61.613 62.300 0.113 0.000 0.993 294 V CB 1.815 33.649 31.823 0.018 0.000 1.076 294 V HN 0.877 nan 8.190 nan 0.000 0.434 295 I N 5.047 125.784 120.570 0.278 0.000 2.433 295 I HA 0.544 4.714 4.170 0.000 0.000 0.292 295 I C -0.311 176.050 176.117 0.406 0.000 1.001 295 I CA -0.585 60.897 61.300 0.304 0.000 1.119 295 I CB 1.806 39.923 38.000 0.196 0.000 1.289 295 I HN 0.525 nan 8.210 nan 0.000 0.438 296 K N 5.700 126.368 120.400 0.447 0.000 2.211 296 K HA 0.624 4.944 4.320 0.000 0.000 0.275 296 K C -1.549 175.180 176.600 0.215 0.000 1.024 296 K CA -0.325 56.216 56.287 0.422 0.000 0.887 296 K CB 1.062 33.892 32.500 0.550 0.000 1.084 296 K HN 0.719 nan 8.250 nan 0.000 0.463 297 C N 5.376 124.760 119.300 0.140 0.000 2.396 297 C HA 0.558 5.018 4.460 0.000 0.000 0.321 297 C C -0.865 174.191 174.990 0.109 0.000 1.233 297 C CA -1.037 58.069 59.018 0.146 0.000 1.440 297 C CB 0.008 27.930 27.740 0.304 0.000 2.110 297 C HN 0.740 nan 8.230 nan 0.000 0.473 298 I N 3.381 123.990 120.570 0.065 0.000 2.411 298 I HA 0.391 4.561 4.170 0.000 0.000 0.284 298 I C -0.210 175.950 176.117 0.072 0.000 1.012 298 I CA -0.091 61.200 61.300 -0.014 0.000 1.119 298 I CB 1.320 39.264 38.000 -0.093 0.000 1.261 298 I HN 0.348 nan 8.210 nan 0.000 0.448 299 V N 6.677 126.618 119.914 0.044 0.000 2.394 299 V HA 0.377 4.497 4.120 0.000 0.000 0.282 299 V C -0.589 175.342 176.094 -0.273 0.000 1.031 299 V CA -0.673 61.654 62.300 0.046 0.000 0.881 299 V CB 0.752 32.635 31.823 0.100 0.000 0.982 299 V HN 0.396 nan 8.190 nan 0.000 0.451 300 Y N 4.100 124.327 120.300 -0.121 0.000 2.361 300 Y HA 0.691 5.241 4.550 0.000 0.000 0.332 300 Y C -0.250 175.490 175.900 -0.267 0.000 1.101 300 Y CA -0.572 57.508 58.100 -0.033 0.000 1.137 300 Y CB 1.336 39.891 38.460 0.158 0.000 1.207 300 Y HN 0.538 nan 8.280 nan 0.000 0.463 301 Y N -0.214 120.341 120.300 0.424 0.000 2.634 301 Y HA 0.335 4.885 4.550 0.000 0.000 0.340 301 Y C 1.157 177.201 175.900 0.241 0.000 1.058 301 Y CA -1.385 56.932 58.100 0.361 0.000 1.081 301 Y CB 1.744 40.528 38.460 0.540 0.000 1.295 301 Y HN 0.465 nan 8.280 nan 0.000 0.487 302 K N 0.319 120.928 120.400 0.349 0.000 2.057 302 K HA -0.043 4.277 4.320 0.000 0.000 0.206 302 K C -0.561 176.102 176.600 0.105 0.000 1.050 302 K CA 1.554 57.942 56.287 0.167 0.000 0.935 302 K CB 0.192 32.762 32.500 0.117 0.000 0.715 302 K HN 0.733 nan 8.250 nan 0.000 0.439 303 E N -0.615 119.663 120.200 0.130 0.000 2.343 303 E HA 0.220 4.570 4.350 0.000 0.000 0.270 303 E C -2.649 173.841 176.600 -0.182 0.000 0.895 303 E CA -2.352 54.040 56.400 -0.013 0.000 0.767 303 E CB 2.110 31.798 29.700 -0.019 0.000 1.248 303 E HN -0.100 nan 8.360 nan 0.000 0.440 304 P HA 0.044 nan 4.420 nan 0.000 0.237 304 P C 0.032 176.518 177.300 -1.356 0.000 1.788 304 P CA -0.050 62.194 63.100 -1.427 0.000 1.061 304 P CB -0.845 30.220 31.700 -1.058 0.000 1.967 305 F N -0.008 119.477 119.950 -0.776 0.000 2.269 305 F HA -0.107 4.420 4.527 0.000 0.000 0.301 305 F C 1.713 177.422 175.800 -0.152 0.000 1.082 305 F CA -0.121 57.687 58.000 -0.320 0.000 1.360 305 F CB -1.731 37.182 39.000 -0.145 0.000 1.041 305 F HN 0.158 nan 8.300 nan 0.000 0.512 306 W N 1.494 122.438 121.300 -0.594 0.000 2.342 306 W HA -0.052 4.608 4.660 0.000 0.000 0.297 306 W C 2.109 178.598 176.519 -0.051 0.000 1.213 306 W CA 1.154 58.366 57.345 -0.222 0.000 1.251 306 W CB -1.195 28.055 29.460 -0.351 0.000 1.136 306 W HN -0.137 nan 8.180 nan 0.000 0.526 307 R N 1.132 121.476 120.500 -0.260 0.000 2.105 307 R HA -0.136 4.204 4.340 0.000 0.000 0.239 307 R C 2.027 178.263 176.300 -0.105 0.000 1.135 307 R CA 2.003 58.017 56.100 -0.143 0.000 0.967 307 R CB -0.490 29.663 30.300 -0.245 0.000 0.861 307 R HN 0.247 nan 8.270 nan 0.000 0.442 308 K N 0.785 121.124 120.400 -0.100 0.000 2.103 308 K HA -0.133 4.187 4.320 0.000 0.000 0.207 308 K C 1.552 178.109 176.600 -0.072 0.000 1.048 308 K CA 1.295 57.545 56.287 -0.063 0.000 0.930 308 K CB 0.049 32.535 32.500 -0.023 0.000 0.716 308 K HN 0.097 nan 8.250 nan 0.000 0.444 309 K N 0.601 120.953 120.400 -0.081 0.000 2.458 309 K HA -0.040 4.280 4.320 0.000 0.000 0.194 309 K C -0.475 175.808 176.600 -0.528 0.000 1.024 309 K CA 0.280 56.422 56.287 -0.242 0.000 1.108 309 K CB 0.226 32.622 32.500 -0.174 0.000 0.846 309 K HN 0.058 nan 8.250 nan 0.000 0.518 310 D N 0.020 120.231 120.400 -0.316 0.000 2.760 310 D HA -0.194 4.446 4.640 0.000 0.000 0.244 310 D C -1.597 174.517 176.300 -0.311 0.000 1.096 310 D CA 0.764 54.611 54.000 -0.255 0.000 0.716 310 D CB -1.443 39.226 40.800 -0.218 0.000 1.075 310 D HN 0.301 nan 8.370 nan 0.000 0.434 311 Y N -0.729 119.601 120.300 0.050 0.000 2.361 311 Y HA 0.299 4.849 4.550 0.000 0.000 0.337 311 Y C 1.955 177.925 175.900 0.117 0.000 0.965 311 Y CA -0.944 57.186 58.100 0.050 0.000 1.091 311 Y CB 1.311 39.807 38.460 0.059 0.000 1.182 311 Y HN 0.250 nan 8.280 nan 0.000 0.450 312 C N -0.867 118.550 119.300 0.196 0.000 2.448 312 C HA 0.325 4.785 4.460 0.000 0.000 0.280 312 C C 1.822 176.906 174.990 0.157 0.000 1.398 312 C CA 0.635 59.748 59.018 0.158 0.000 1.774 312 C CB -1.077 26.682 27.740 0.032 0.000 1.888 312 C HN 1.272 nan 8.230 nan 0.000 0.519 313 G N -0.419 108.324 108.800 -0.095 0.000 2.179 313 G HA2 -0.145 3.815 3.960 0.000 0.000 0.220 313 G HA3 -0.145 3.815 3.960 0.000 0.000 0.220 313 G C 0.005 174.590 174.900 -0.525 0.000 0.990 313 G CA 0.205 44.927 45.100 -0.630 0.000 0.646 313 G HN 0.574 nan 8.290 nan 0.000 0.517 314 T N 1.952 116.297 114.554 -0.347 0.000 2.794 314 T HA 0.649 4.999 4.350 0.000 0.000 0.296 314 T C 0.306 174.814 174.700 -0.319 0.000 0.949 314 T CA 0.504 62.375 62.100 -0.382 0.000 1.101 314 T CB 0.950 69.645 68.868 -0.288 0.000 0.905 314 T HN 0.277 nan 8.240 nan 0.000 0.516 315 M N 3.931 123.329 119.600 -0.337 0.000 2.327 315 M HA 0.487 4.967 4.480 0.000 0.000 0.298 315 M C -1.047 175.265 176.300 0.019 0.000 1.065 315 M CA -0.574 54.638 55.300 -0.147 0.000 0.916 315 M CB 2.205 34.679 32.600 -0.209 0.000 1.630 315 M HN 0.422 nan 8.290 nan 0.000 0.442 316 I N 4.717 125.435 120.570 0.247 0.000 2.354 316 I HA 0.427 4.597 4.170 0.000 0.000 0.286 316 I C -0.809 175.578 176.117 0.450 0.000 1.007 316 I CA -0.290 61.253 61.300 0.405 0.000 1.167 316 I CB 1.111 39.355 38.000 0.408 0.000 1.320 316 I HN 0.601 nan 8.210 nan 0.000 0.458 317 I N 5.615 126.403 120.570 0.364 0.000 2.428 317 I HA 0.238 4.408 4.170 0.000 0.000 0.279 317 I C -0.489 175.810 176.117 0.303 0.000 1.040 317 I CA -0.674 60.816 61.300 0.315 0.000 1.171 317 I CB 0.679 38.795 38.000 0.195 0.000 1.312 317 I HN 0.431 nan 8.210 nan 0.000 0.470 318 D N 5.284 125.875 120.400 0.319 0.000 2.399 318 D HA 0.520 5.160 4.640 0.000 0.000 0.241 318 D C 0.525 176.945 176.300 0.200 0.000 1.133 318 D CA 0.651 54.799 54.000 0.246 0.000 0.890 318 D CB 1.640 42.558 40.800 0.195 0.000 1.201 318 D HN 0.801 nan 8.370 nan 0.000 0.432 319 G N 1.004 109.900 108.800 0.159 0.000 2.317 319 G HA2 -0.030 3.930 3.960 0.000 0.000 0.445 319 G HA3 -0.030 3.930 3.960 0.000 0.000 0.445 319 G C 0.268 175.240 174.900 0.120 0.000 1.486 319 G CA -0.401 44.777 45.100 0.131 0.000 0.991 319 G HN 0.343 nan 8.290 nan 0.000 0.660 320 E N -0.051 120.212 120.200 0.105 0.000 2.122 320 E HA 0.061 4.411 4.350 0.000 0.000 0.190 320 E C 2.120 178.774 176.600 0.090 0.000 0.977 320 E CA 2.052 58.521 56.400 0.115 0.000 0.820 320 E CB 0.032 29.799 29.700 0.112 0.000 0.770 320 E HN 0.567 nan 8.360 nan 0.000 0.462 321 E N 0.935 121.181 120.200 0.076 0.000 2.118 321 E HA -0.054 4.296 4.350 0.000 0.000 0.195 321 E C 0.505 177.131 176.600 0.042 0.000 0.992 321 E CA 1.092 57.526 56.400 0.056 0.000 0.804 321 E CB -0.567 29.166 29.700 0.056 0.000 0.741 321 E HN 0.300 nan 8.360 nan 0.000 0.458 322 A N 2.325 125.179 122.820 0.058 0.000 2.484 322 A HA 0.148 4.468 4.320 0.000 0.000 0.268 322 A C -1.431 176.170 177.584 0.029 0.000 1.114 322 A CA -1.094 50.969 52.037 0.043 0.000 0.780 322 A CB 0.077 19.126 19.000 0.082 0.000 1.061 322 A HN -0.006 nan 8.150 nan 0.000 0.505 323 P HA -0.047 nan 4.420 nan 0.000 0.219 323 P C 0.110 177.435 177.300 0.041 0.000 1.146 323 P CA 1.045 64.142 63.100 -0.006 0.000 0.808 323 P CB 0.074 31.750 31.700 -0.041 0.000 0.779 324 V N -0.623 119.336 119.914 0.075 0.000 2.638 324 V HA 0.506 4.626 4.120 0.000 0.000 0.306 324 V C 0.855 177.062 176.094 0.187 0.000 1.052 324 V CA -0.284 62.110 62.300 0.157 0.000 0.885 324 V CB 1.716 33.651 31.823 0.188 0.000 0.999 324 V HN -0.084 nan 8.190 nan 0.000 0.424 325 A N 4.221 127.184 122.820 0.239 0.000 2.220 325 A HA 0.368 4.688 4.320 0.000 0.000 0.211 325 A C 0.074 177.876 177.584 0.364 0.000 1.176 325 A CA 0.607 52.804 52.037 0.267 0.000 0.834 325 A CB 0.181 19.325 19.000 0.241 0.000 0.868 325 A HN 0.792 nan 8.150 nan 0.000 0.488 326 Y N -0.295 120.117 120.300 0.188 0.000 2.519 326 Y HA 0.483 5.033 4.550 0.000 0.000 0.336 326 Y C -0.452 175.491 175.900 0.073 0.000 1.089 326 Y CA -0.379 57.812 58.100 0.152 0.000 1.025 326 Y CB 1.617 40.206 38.460 0.214 0.000 1.318 326 Y HN 0.133 nan 8.280 nan 0.000 0.452 327 T N 3.521 117.758 114.554 -0.528 0.000 2.883 327 T HA 0.838 5.188 4.350 0.000 0.000 0.301 327 T C -1.753 172.525 174.700 -0.703 0.000 1.158 327 T CA -0.873 60.915 62.100 -0.521 0.000 1.007 327 T CB 1.840 70.387 68.868 -0.534 0.000 1.186 327 T HN 0.646 nan 8.240 nan 0.000 0.499 328 L N 1.205 122.131 121.223 -0.495 0.000 2.455 328 L HA 0.439 4.779 4.340 0.000 0.000 0.264 328 L C -0.747 175.956 176.870 -0.278 0.000 0.968 328 L CA -1.159 53.459 54.840 -0.370 0.000 0.827 328 L CB 2.292 44.214 42.059 -0.229 0.000 1.317 328 L HN 0.815 nan 8.230 nan 0.000 0.407 329 D N 1.528 121.802 120.400 -0.210 0.000 2.531 329 D HA -0.098 4.542 4.640 0.000 0.000 0.239 329 D C -0.212 176.133 176.300 0.077 0.000 1.144 329 D CA 0.805 54.791 54.000 -0.024 0.000 0.869 329 D CB 1.058 41.968 40.800 0.183 0.000 1.160 329 D HN 0.528 nan 8.370 nan 0.000 0.484 330 D N 2.031 122.485 120.400 0.090 0.000 2.538 330 D HA 0.080 4.720 4.640 0.000 0.000 0.231 330 D C -0.305 176.087 176.300 0.154 0.000 1.229 330 D CA -0.230 53.834 54.000 0.107 0.000 0.828 330 D CB 0.430 41.231 40.800 0.001 0.000 1.035 330 D HN 0.212 nan 8.370 nan 0.000 0.495 331 T N 0.867 115.547 114.554 0.211 0.000 2.855 331 T HA 0.082 4.432 4.350 0.000 0.000 0.314 331 T C 0.520 175.304 174.700 0.141 0.000 1.077 331 T CA -0.175 62.038 62.100 0.188 0.000 1.095 331 T CB 0.872 69.839 68.868 0.166 0.000 0.987 331 T HN -0.068 nan 8.240 nan 0.000 0.546 332 K N 2.534 122.967 120.400 0.056 0.000 2.126 332 K HA 0.178 4.498 4.320 0.000 0.000 0.257 332 K C -1.506 174.979 176.600 -0.191 0.000 1.007 332 K CA -2.202 54.010 56.287 -0.125 0.000 0.928 332 K CB 0.460 32.910 32.500 -0.083 0.000 1.013 332 K HN 0.322 nan 8.250 nan 0.000 0.473 333 P HA -0.124 nan 4.420 nan 0.000 0.222 333 P C 0.268 177.510 177.300 -0.098 0.000 1.147 333 P CA 1.282 64.215 63.100 -0.279 0.000 0.790 333 P CB 0.367 31.819 31.700 -0.412 0.000 0.780 334 E N -0.598 119.553 120.200 -0.082 0.000 2.347 334 E HA 0.096 4.446 4.350 0.000 0.000 0.196 334 E C 1.634 178.228 176.600 -0.010 0.000 1.008 334 E CA 1.042 57.428 56.400 -0.022 0.000 0.852 334 E CB -0.864 28.841 29.700 0.009 0.000 0.783 334 E HN 0.311 nan 8.360 nan 0.000 0.505 335 G N 0.696 109.491 108.800 -0.008 0.000 2.176 335 G HA2 -0.303 3.657 3.960 0.000 0.000 0.253 335 G HA3 -0.303 3.657 3.960 0.000 0.000 0.253 335 G C 0.025 174.919 174.900 -0.011 0.000 0.979 335 G CA 0.351 45.444 45.100 -0.012 0.000 0.641 335 G HN 0.391 nan 8.290 nan 0.000 0.530 336 N N -0.866 117.849 118.700 0.024 0.000 2.530 336 N HA 0.552 5.292 4.740 0.000 0.000 0.283 336 N C 0.473 176.061 175.510 0.130 0.000 1.238 336 N CA -0.986 52.050 53.050 -0.022 0.000 0.971 336 N CB -0.002 38.389 38.487 -0.159 0.000 1.195 336 N HN 0.501 nan 8.380 nan 0.000 0.583 337 Y N -2.715 117.621 120.300 0.060 0.000 3.108 337 Y HA -0.177 4.373 4.550 0.000 0.000 0.208 337 Y C 0.507 176.538 175.900 0.218 0.000 1.245 337 Y CA 0.217 58.410 58.100 0.154 0.000 1.171 337 Y CB -2.342 36.178 38.460 0.099 0.000 1.331 337 Y HN 0.752 nan 8.280 nan 0.000 0.534 338 A N 0.302 123.267 122.820 0.242 0.000 2.584 338 A HA 0.520 4.840 4.320 0.000 0.000 0.239 338 A C 0.749 178.567 177.584 0.389 0.000 1.043 338 A CA 0.658 52.846 52.037 0.252 0.000 0.756 338 A CB 0.059 19.128 19.000 0.114 0.000 0.963 338 A HN 1.459 nan 8.150 nan 0.000 0.511 339 A N 2.548 125.597 122.820 0.382 0.000 2.594 339 A HA 0.679 4.999 4.320 0.000 0.000 0.295 339 A C -0.946 176.677 177.584 0.066 0.000 1.071 339 A CA -0.525 51.560 52.037 0.080 0.000 0.685 339 A CB 1.075 19.815 19.000 -0.432 0.000 1.285 339 A HN 0.717 nan 8.150 nan 0.000 0.405 340 I N 2.348 122.828 120.570 -0.151 0.000 2.436 340 I HA 0.362 4.532 4.170 0.000 0.000 0.289 340 I C -0.277 175.684 176.117 -0.260 0.000 1.010 340 I CA -0.352 60.719 61.300 -0.382 0.000 1.098 340 I CB 1.685 39.282 38.000 -0.672 0.000 1.266 340 I HN 0.742 nan 8.210 nan 0.000 0.434 341 M N 5.261 124.710 119.600 -0.250 0.000 2.233 341 M HA 0.642 5.122 4.480 0.000 0.000 0.355 341 M C -0.322 175.835 176.300 -0.239 0.000 1.191 341 M CA -0.120 55.062 55.300 -0.197 0.000 1.101 341 M CB 1.412 33.920 32.600 -0.152 0.000 1.592 341 M HN 0.723 nan 8.290 nan 0.000 0.461 342 G N 4.046 112.747 108.800 -0.165 0.000 2.659 342 G HA2 0.670 4.630 3.960 0.000 0.000 0.296 342 G HA3 0.670 4.630 3.960 0.000 0.000 0.296 342 G C -2.092 172.744 174.900 -0.106 0.000 1.369 342 G CA -0.544 44.511 45.100 -0.074 0.000 0.937 342 G HN 0.650 nan 8.290 nan 0.000 0.485 343 F N 0.957 121.055 119.950 0.248 0.000 2.426 343 F HA 0.470 4.997 4.527 0.000 0.000 0.348 343 F C 0.522 176.433 175.800 0.186 0.000 1.124 343 F CA -0.765 57.383 58.000 0.245 0.000 1.008 343 F CB 2.075 41.253 39.000 0.297 0.000 1.139 343 F HN 0.074 nan 8.300 nan 0.000 0.452 344 I N 5.698 126.475 120.570 0.345 0.000 2.312 344 I HA 0.260 4.430 4.170 0.000 0.000 0.291 344 I C -0.585 175.624 176.117 0.153 0.000 1.031 344 I CA -0.264 61.155 61.300 0.198 0.000 1.293 344 I CB 0.641 38.724 38.000 0.138 0.000 1.403 344 I HN 0.399 nan 8.210 nan 0.000 0.484 345 L N 6.264 127.539 121.223 0.087 0.000 2.331 345 L HA 0.743 5.083 4.340 0.000 0.000 0.275 345 L C 0.943 177.790 176.870 -0.037 0.000 1.022 345 L CA -0.327 54.520 54.840 0.012 0.000 0.812 345 L CB 1.542 43.610 42.059 0.016 0.000 1.257 345 L HN 0.885 nan 8.230 nan 0.000 0.435 346 A N 1.775 124.561 122.820 -0.057 0.000 5.391 346 A HA -0.358 3.962 4.320 0.000 0.000 0.315 346 A C 1.607 179.197 177.584 0.011 0.000 1.874 346 A CA 1.549 53.567 52.037 -0.032 0.000 0.714 346 A CB -1.595 17.391 19.000 -0.023 0.000 1.335 346 A HN 1.109 nan 8.150 nan 0.000 0.382 347 H N 0.940 120.001 119.070 -0.015 0.000 2.489 347 H HA 0.026 4.582 4.556 0.000 0.000 0.293 347 H C 1.614 176.956 175.328 0.023 0.000 1.066 347 H CA 1.768 57.823 56.048 0.011 0.000 1.305 347 H CB -0.366 29.412 29.762 0.025 0.000 1.386 347 H HN 0.737 nan 8.280 nan 0.000 0.551 348 K N 0.663 120.760 120.400 -0.504 0.000 2.167 348 K HA 0.119 4.439 4.320 0.000 0.000 0.203 348 K C 2.561 179.097 176.600 -0.106 0.000 1.052 348 K CA 0.751 56.838 56.287 -0.334 0.000 0.956 348 K CB 0.094 32.415 32.500 -0.298 0.000 0.735 348 K HN 0.288 nan 8.250 nan 0.000 0.451 349 A N 1.728 124.517 122.820 -0.052 0.000 1.883 349 A HA -0.196 4.124 4.320 0.000 0.000 0.217 349 A C 2.116 179.710 177.584 0.016 0.000 1.186 349 A CA 1.502 53.547 52.037 0.013 0.000 0.624 349 A CB -0.353 18.667 19.000 0.034 0.000 0.822 349 A HN 0.126 nan 8.150 nan 0.000 0.444 350 R N -0.437 120.071 120.500 0.014 0.000 2.075 350 R HA -0.069 4.271 4.340 0.000 0.000 0.232 350 R C 2.339 178.653 176.300 0.023 0.000 1.126 350 R CA 1.836 57.953 56.100 0.029 0.000 0.963 350 R CB -0.246 30.084 30.300 0.050 0.000 0.858 350 R HN 0.657 nan 8.270 nan 0.000 0.435 351 K N 0.441 120.848 120.400 0.012 0.000 2.007 351 K HA -0.040 4.280 4.320 0.000 0.000 0.206 351 K C 1.680 178.284 176.600 0.006 0.000 1.047 351 K CA 1.148 57.443 56.287 0.014 0.000 0.937 351 K CB -0.007 32.500 32.500 0.011 0.000 0.718 351 K HN 0.112 nan 8.250 nan 0.000 0.438 352 L N 0.797 122.017 121.223 -0.004 0.000 2.465 352 L HA 0.020 4.360 4.340 0.000 0.000 0.224 352 L C 2.387 179.267 176.870 0.018 0.000 1.145 352 L CA 0.441 55.284 54.840 0.004 0.000 0.834 352 L CB -0.402 41.658 42.059 0.001 0.000 0.944 352 L HN 0.266 nan 8.230 nan 0.000 0.451 353 A N 0.736 123.569 122.820 0.021 0.000 2.024 353 A HA -0.215 4.105 4.320 0.000 0.000 0.220 353 A C 2.360 179.955 177.584 0.017 0.000 1.164 353 A CA 1.432 53.483 52.037 0.024 0.000 0.643 353 A CB -0.429 18.584 19.000 0.022 0.000 0.806 353 A HN 0.378 nan 8.150 nan 0.000 0.451 354 R N -0.826 119.682 120.500 0.014 0.000 2.235 354 R HA 0.156 4.496 4.340 0.000 0.000 0.213 354 R C 0.272 176.577 176.300 0.010 0.000 1.059 354 R CA 0.143 56.250 56.100 0.011 0.000 0.997 354 R CB -0.325 29.981 30.300 0.010 0.000 0.884 354 R HN 0.472 nan 8.270 nan 0.000 0.462 355 L N 0.011 121.240 121.223 0.011 0.000 2.479 355 L HA 0.209 4.549 4.340 0.000 0.000 0.249 355 L C 0.938 177.817 176.870 0.016 0.000 1.178 355 L CA -0.707 54.139 54.840 0.009 0.000 0.811 355 L CB 0.512 42.574 42.059 0.005 0.000 1.187 355 L HN 0.078 nan 8.230 nan 0.000 0.480 356 T N -3.387 111.175 114.554 0.014 0.000 2.874 356 T HA 0.162 4.512 4.350 0.000 0.000 0.281 356 T C 0.825 175.548 174.700 0.038 0.000 0.994 356 T CA -0.751 61.362 62.100 0.022 0.000 1.015 356 T CB 1.441 70.318 68.868 0.015 0.000 1.028 356 T HN 0.592 nan 8.240 nan 0.000 0.523 357 K N 0.251 120.690 120.400 0.066 0.000 2.113 357 K HA -0.214 4.106 4.320 0.000 0.000 0.208 357 K C 1.921 178.570 176.600 0.081 0.000 1.047 357 K CA 1.949 58.318 56.287 0.136 0.000 0.928 357 K CB -0.131 32.458 32.500 0.148 0.000 0.716 357 K HN 0.691 nan 8.250 nan 0.000 0.446 358 E N 0.270 120.485 120.200 0.025 0.000 2.107 358 E HA -0.122 4.228 4.350 0.000 0.000 0.191 358 E C 1.732 178.290 176.600 -0.069 0.000 0.982 358 E CA 1.084 57.467 56.400 -0.028 0.000 0.809 358 E CB 0.115 29.809 29.700 -0.009 0.000 0.756 358 E HN 0.339 nan 8.360 nan 0.000 0.459 359 E N 0.236 120.411 120.200 -0.041 0.000 2.072 359 E HA -0.118 4.232 4.350 0.000 0.000 0.191 359 E C 2.112 178.666 176.600 -0.077 0.000 0.985 359 E CA 0.718 57.089 56.400 -0.049 0.000 0.801 359 E CB 0.024 29.709 29.700 -0.024 0.000 0.750 359 E HN 0.108 nan 8.360 nan 0.000 0.452 360 R N 0.412 120.875 120.500 -0.063 0.000 2.082 360 R HA -0.171 4.169 4.340 0.000 0.000 0.234 360 R C 2.520 178.673 176.300 -0.244 0.000 1.136 360 R CA 1.210 57.259 56.100 -0.085 0.000 0.935 360 R CB -0.645 29.670 30.300 0.025 0.000 0.842 360 R HN 0.116 nan 8.270 nan 0.000 0.430 361 L N 1.901 122.841 121.223 -0.471 0.000 2.034 361 L HA -0.312 4.028 4.340 0.000 0.000 0.217 361 L C 2.216 178.870 176.870 -0.360 0.000 1.077 361 L CA 2.009 56.427 54.840 -0.703 0.000 0.769 361 L CB -0.462 41.133 42.059 -0.772 0.000 0.890 361 L HN 0.098 nan 8.230 nan 0.000 0.435 362 K N -0.706 119.557 120.400 -0.229 0.000 2.057 362 K HA -0.213 4.107 4.320 0.000 0.000 0.207 362 K C 2.199 178.710 176.600 -0.148 0.000 1.049 362 K CA 1.692 57.891 56.287 -0.146 0.000 0.931 362 K CB -0.111 32.331 32.500 -0.096 0.000 0.714 362 K HN 0.362 nan 8.250 nan 0.000 0.440 363 K N 0.129 120.434 120.400 -0.158 0.000 2.097 363 K HA -0.131 4.189 4.320 0.000 0.000 0.206 363 K C 2.025 178.481 176.600 -0.240 0.000 1.049 363 K CA 0.949 57.143 56.287 -0.154 0.000 0.933 363 K CB -0.031 32.398 32.500 -0.119 0.000 0.717 363 K HN 0.054 nan 8.250 nan 0.000 0.442 364 L N 0.780 121.802 121.223 -0.336 0.000 2.005 364 L HA -0.177 4.163 4.340 0.000 0.000 0.207 364 L C 2.428 178.893 176.870 -0.674 0.000 1.072 364 L CA 1.466 55.927 54.840 -0.633 0.000 0.744 364 L CB -0.943 40.768 42.059 -0.581 0.000 0.895 364 L HN 0.220 nan 8.230 nan 0.000 0.433 365 C N -0.506 118.609 119.300 -0.307 0.000 2.413 365 C HA -0.194 4.266 4.460 0.000 0.000 0.276 365 C C 2.669 177.635 174.990 -0.039 0.000 1.236 365 C CA 0.708 59.696 59.018 -0.050 0.000 1.735 365 C CB -0.784 26.970 27.740 0.023 0.000 2.031 365 C HN 0.548 nan 8.230 nan 0.000 0.474 366 E N 0.205 120.353 120.200 -0.086 0.000 2.058 366 E HA -0.252 4.098 4.350 0.000 0.000 0.194 366 E C 1.997 178.554 176.600 -0.071 0.000 0.997 366 E CA 1.258 57.623 56.400 -0.059 0.000 0.801 366 E CB -0.335 29.328 29.700 -0.062 0.000 0.746 366 E HN 0.531 nan 8.360 nan 0.000 0.450 367 L N 0.431 121.567 121.223 -0.144 0.000 1.989 367 L HA -0.240 4.100 4.340 0.000 0.000 0.211 367 L C 2.042 178.886 176.870 -0.045 0.000 1.071 367 L CA 1.831 56.588 54.840 -0.139 0.000 0.749 367 L CB -0.712 41.218 42.059 -0.215 0.000 0.890 367 L HN 0.226 nan 8.230 nan 0.000 0.431 368 Y N -0.853 119.415 120.300 -0.052 0.000 2.293 368 Y HA -0.167 4.383 4.550 0.000 0.000 0.291 368 Y C 2.473 178.359 175.900 -0.024 0.000 1.137 368 Y CA 0.238 58.304 58.100 -0.058 0.000 1.202 368 Y CB -0.435 38.023 38.460 -0.003 0.000 0.990 368 Y HN 0.397 nan 8.280 nan 0.000 0.537 369 A N 0.478 123.380 122.820 0.135 0.000 1.969 369 A HA -0.150 4.170 4.320 0.000 0.000 0.218 369 A C 2.115 179.727 177.584 0.047 0.000 1.169 369 A CA 1.231 53.320 52.037 0.086 0.000 0.635 369 A CB -0.311 18.719 19.000 0.050 0.000 0.810 369 A HN 0.326 nan 8.150 nan 0.000 0.445 370 K N -0.370 120.037 120.400 0.013 0.000 2.001 370 K HA -0.058 4.262 4.320 0.000 0.000 0.208 370 K C 1.938 178.523 176.600 -0.025 0.000 1.048 370 K CA 1.476 57.762 56.287 -0.002 0.000 0.932 370 K CB -0.441 32.044 32.500 -0.026 0.000 0.715 370 K HN 0.301 nan 8.250 nan 0.000 0.437 371 V N 1.990 121.820 119.914 -0.140 0.000 2.343 371 V HA -0.216 3.904 4.120 0.000 0.000 0.247 371 V C 2.176 178.192 176.094 -0.131 0.000 1.051 371 V CA 1.601 63.785 62.300 -0.193 0.000 1.036 371 V CB -0.399 31.253 31.823 -0.286 0.000 0.654 371 V HN 0.276 nan 8.190 nan 0.000 0.451 372 L N 0.199 121.357 121.223 -0.109 0.000 2.492 372 L HA 0.255 4.595 4.340 0.000 0.000 0.223 372 L C 1.725 178.632 176.870 0.061 0.000 1.132 372 L CA 0.796 55.555 54.840 -0.135 0.000 0.850 372 L CB -0.554 41.515 42.059 0.018 0.000 0.966 372 L HN 0.580 nan 8.230 nan 0.000 0.454 373 G N 0.334 109.177 108.800 0.072 0.000 2.221 373 G HA2 -0.263 3.697 3.960 0.000 0.000 0.265 373 G HA3 -0.263 3.697 3.960 0.000 0.000 0.265 373 G C 0.079 175.049 174.900 0.118 0.000 1.041 373 G CA 0.432 45.594 45.100 0.104 0.000 0.807 373 G HN 0.316 nan 8.290 nan 0.000 0.502 374 S N -0.670 115.100 115.700 0.116 0.000 2.756 374 S HA 0.476 4.946 4.470 0.000 0.000 0.303 374 S C 1.306 175.889 174.600 -0.029 0.000 1.135 374 S CA -0.697 57.556 58.200 0.088 0.000 1.066 374 S CB 1.490 64.852 63.200 0.270 0.000 1.008 374 S HN 0.273 nan 8.310 nan 0.000 0.482 375 L N 2.331 123.514 121.223 -0.066 0.000 2.191 375 L HA -0.108 4.232 4.340 0.000 0.000 0.212 375 L C 2.206 178.966 176.870 -0.182 0.000 1.103 375 L CA 1.239 56.027 54.840 -0.087 0.000 0.769 375 L CB -0.324 41.699 42.059 -0.059 0.000 0.908 375 L HN 0.675 nan 8.230 nan 0.000 0.438 376 E N 0.347 120.321 120.200 -0.377 0.000 2.273 376 E HA -0.232 4.118 4.350 0.000 0.000 0.198 376 E C 2.166 178.334 176.600 -0.719 0.000 1.002 376 E CA 0.990 56.994 56.400 -0.660 0.000 0.828 376 E CB -0.158 28.831 29.700 -1.185 0.000 0.747 376 E HN 0.542 nan 8.360 nan 0.000 0.491 377 A N 0.647 123.162 122.820 -0.508 0.000 2.168 377 A HA -0.042 4.278 4.320 0.000 0.000 0.215 377 A C 1.862 179.593 177.584 0.244 0.000 1.152 377 A CA 0.541 52.560 52.037 -0.030 0.000 0.716 377 A CB -0.194 18.939 19.000 0.223 0.000 0.794 377 A HN 0.150 nan 8.150 nan 0.000 0.465 378 L N -1.202 120.072 121.223 0.086 0.000 2.612 378 L HA 0.158 4.498 4.340 0.000 0.000 0.230 378 L C 0.770 177.710 176.870 0.117 0.000 1.140 378 L CA 0.315 55.211 54.840 0.093 0.000 0.896 378 L CB 0.066 42.141 42.059 0.025 0.000 1.065 378 L HN 0.235 nan 8.230 nan 0.000 0.447 379 E N 0.658 120.977 120.200 0.199 0.000 3.846 379 E HA 0.198 4.548 4.350 0.000 0.000 0.216 379 E C -2.287 174.476 176.600 0.272 0.000 1.092 379 E CA -1.730 54.770 56.400 0.167 0.000 1.370 379 E CB 0.644 30.394 29.700 0.083 0.000 1.227 379 E HN 0.045 nan 8.360 nan 0.000 0.442 380 P HA 0.005 nan 4.420 nan 0.000 0.274 380 P C 0.702 178.040 177.300 0.063 0.000 1.256 380 P CA -0.150 62.932 63.100 -0.030 0.000 0.795 380 P CB 1.560 33.151 31.700 -0.182 0.000 1.038 381 V N -3.697 116.271 119.914 0.090 0.000 3.570 381 V HA 0.353 4.473 4.120 0.000 0.000 0.257 381 V C 0.494 176.712 176.094 0.205 0.000 1.272 381 V CA 0.732 63.116 62.300 0.140 0.000 1.079 381 V CB -1.040 30.869 31.823 0.144 0.000 0.829 381 V HN 0.671 nan 8.190 nan 0.000 0.454 382 H N -1.022 118.116 119.070 0.112 0.000 2.967 382 H HA 0.655 5.212 4.556 0.000 0.000 0.318 382 H C -2.260 173.274 175.328 0.343 0.000 1.375 382 H CA -0.751 55.370 56.048 0.123 0.000 1.132 382 H CB 2.098 31.807 29.762 -0.089 0.000 1.848 382 H HN 0.176 nan 8.280 nan 0.000 0.524 383 Y N 1.332 121.323 120.300 -0.515 0.000 2.436 383 Y HA 0.440 4.990 4.550 0.000 0.000 0.327 383 Y C -1.915 173.826 175.900 -0.265 0.000 1.138 383 Y CA -0.637 57.370 58.100 -0.156 0.000 1.042 383 Y CB 1.559 39.953 38.460 -0.110 0.000 1.302 383 Y HN 0.645 nan 8.280 nan 0.000 0.439 384 E N 4.650 124.596 120.200 -0.424 0.000 2.317 384 E HA 0.460 4.810 4.350 0.000 0.000 0.270 384 E C -1.487 174.771 176.600 -0.569 0.000 0.885 384 E CA -0.888 55.268 56.400 -0.408 0.000 0.760 384 E CB 2.851 32.552 29.700 0.001 0.000 1.227 384 E HN 0.744 nan 8.360 nan 0.000 0.434 385 E N 0.560 120.517 120.200 -0.405 0.000 2.372 385 E HA 0.619 4.969 4.350 0.000 0.000 0.279 385 E C -1.217 175.343 176.600 -0.066 0.000 0.946 385 E CA -1.049 55.218 56.400 -0.222 0.000 0.769 385 E CB 2.634 32.183 29.700 -0.252 0.000 1.230 385 E HN 0.196 nan 8.360 nan 0.000 0.442 386 K N 1.800 122.217 120.400 0.028 0.000 2.507 386 K HA 0.308 4.628 4.320 0.000 0.000 0.251 386 K C -1.471 175.097 176.600 -0.053 0.000 0.943 386 K CA -0.795 55.437 56.287 -0.092 0.000 0.794 386 K CB 1.507 33.889 32.500 -0.197 0.000 1.188 386 K HN 0.511 nan 8.250 nan 0.000 0.428 387 N N 4.255 122.869 118.700 -0.143 0.000 2.462 387 N HA 0.125 4.865 4.740 0.000 0.000 0.242 387 N C -0.403 175.035 175.510 -0.119 0.000 1.010 387 N CA -0.447 52.586 53.050 -0.029 0.000 0.939 387 N CB 0.347 38.822 38.487 -0.020 0.000 1.127 387 N HN 0.667 nan 8.380 nan 0.000 0.509 388 W N 2.152 123.487 121.300 0.059 0.000 2.937 388 W HA 0.094 4.754 4.660 0.000 0.000 0.245 388 W C 1.945 178.478 176.519 0.024 0.000 1.306 388 W CA -0.150 57.223 57.345 0.047 0.000 1.470 388 W CB -0.159 29.346 29.460 0.076 0.000 1.132 388 W HN 0.578 nan 8.180 nan 0.000 0.675 389 C N 0.538 119.937 119.300 0.167 0.000 2.419 389 C HA -0.172 4.288 4.460 0.000 0.000 0.283 389 C C 2.386 177.399 174.990 0.039 0.000 1.373 389 C CA 1.637 60.710 59.018 0.092 0.000 1.781 389 C CB -1.365 26.414 27.740 0.064 0.000 1.886 389 C HN 0.505 nan 8.230 nan 0.000 0.520 390 E N 0.504 120.704 120.200 -0.001 0.000 2.474 390 E HA 0.016 4.366 4.350 0.000 0.000 0.194 390 E C -0.107 176.461 176.600 -0.053 0.000 1.041 390 E CA 0.212 56.588 56.400 -0.040 0.000 0.874 390 E CB -0.192 29.469 29.700 -0.065 0.000 0.914 390 E HN 0.489 nan 8.360 nan 0.000 0.498 391 E N 2.366 122.552 120.200 -0.024 0.000 2.104 391 E HA -0.051 4.299 4.350 0.000 0.000 0.278 391 E C 0.556 177.147 176.600 -0.015 0.000 1.127 391 E CA 0.088 56.486 56.400 -0.003 0.000 0.897 391 E CB 1.383 31.140 29.700 0.095 0.000 1.043 391 E HN 0.391 nan 8.360 nan 0.000 0.410 392 Q N 2.986 122.718 119.800 -0.113 0.000 2.181 392 Q HA -0.201 4.139 4.340 0.000 0.000 0.205 392 Q C 0.309 176.091 176.000 -0.363 0.000 0.980 392 Q CA 1.627 57.251 55.803 -0.297 0.000 0.862 392 Q CB 0.089 28.535 28.738 -0.485 0.000 0.905 392 Q HN 0.609 nan 8.270 nan 0.000 0.429 393 Y N -1.042 119.292 120.300 0.057 0.000 2.555 393 Y HA 0.288 4.838 4.550 0.000 0.000 0.259 393 Y C 1.521 177.486 175.900 0.109 0.000 1.179 393 Y CA -0.302 57.842 58.100 0.073 0.000 1.230 393 Y CB 1.000 39.498 38.460 0.063 0.000 1.146 393 Y HN 0.088 nan 8.280 nan 0.000 0.526 394 S N -1.424 114.412 115.700 0.226 0.000 2.691 394 S HA 0.293 4.763 4.470 0.000 0.000 0.241 394 S C 1.823 176.504 174.600 0.135 0.000 1.077 394 S CA 0.619 58.949 58.200 0.217 0.000 0.900 394 S CB 0.551 63.954 63.200 0.339 0.000 0.805 394 S HN 0.527 nan 8.310 nan 0.000 0.529 395 G N 0.924 109.786 108.800 0.103 0.000 2.194 395 G HA2 0.162 4.122 3.960 0.000 0.000 0.236 395 G HA3 0.162 4.122 3.960 0.000 0.000 0.236 395 G C 0.472 175.409 174.900 0.061 0.000 0.987 395 G CA -0.042 45.084 45.100 0.044 0.000 0.635 395 G HN 1.370 nan 8.290 nan 0.000 0.520 396 G N -2.326 106.552 108.800 0.129 0.000 2.340 396 G HA2 0.505 4.465 3.960 0.000 0.000 0.282 396 G HA3 0.505 4.465 3.960 0.000 0.000 0.282 396 G C -0.770 174.219 174.900 0.149 0.000 1.312 396 G CA 0.291 45.478 45.100 0.146 0.000 0.942 396 G HN 1.514 nan 8.290 nan 0.000 0.495 397 C N -1.991 117.354 119.300 0.075 0.000 3.320 397 C HA 0.586 5.046 4.460 0.000 0.000 0.335 397 C C 1.145 176.027 174.990 -0.180 0.000 1.430 397 C CA -0.539 58.457 59.018 -0.037 0.000 1.271 397 C CB 0.523 28.154 27.740 -0.182 0.000 1.609 397 C HN 0.764 nan 8.230 nan 0.000 0.457 398 Y N 0.742 120.969 120.300 -0.122 0.000 2.207 398 Y HA 0.108 4.658 4.550 0.000 0.000 0.287 398 Y C 1.598 177.457 175.900 -0.067 0.000 1.156 398 Y CA 1.766 59.767 58.100 -0.165 0.000 1.182 398 Y CB -0.681 37.657 38.460 -0.203 0.000 0.979 398 Y HN 0.705 nan 8.280 nan 0.000 0.521 399 T N -2.156 112.476 114.554 0.130 0.000 2.665 399 T HA 0.353 4.703 4.350 0.000 0.000 0.303 399 T C -0.786 174.014 174.700 0.167 0.000 1.334 399 T CA -0.716 61.498 62.100 0.190 0.000 1.011 399 T CB 1.160 70.226 68.868 0.331 0.000 1.573 399 T HN -0.132 nan 8.240 nan 0.000 0.492 400 T N 2.632 117.301 114.554 0.191 0.000 2.851 400 T HA 0.502 4.852 4.350 0.000 0.000 0.298 400 T C -0.906 173.834 174.700 0.066 0.000 0.977 400 T CA 0.060 62.182 62.100 0.036 0.000 1.126 400 T CB -0.346 68.542 68.868 0.034 0.000 0.916 400 T HN 0.466 nan 8.240 nan 0.000 0.529 401 Y N 1.093 121.216 120.300 -0.296 0.000 2.549 401 Y HA 0.803 5.353 4.550 0.000 0.000 0.339 401 Y C -1.402 173.950 175.900 -0.914 0.000 1.053 401 Y CA -2.317 55.291 58.100 -0.821 0.000 1.105 401 Y CB 0.791 38.849 38.460 -0.670 0.000 1.258 401 Y HN 0.391 nan 8.280 nan 0.000 0.478 402 F N 3.314 122.455 119.950 -1.350 0.000 2.402 402 F HA 0.579 5.106 4.527 0.000 0.000 0.355 402 F C -2.363 173.311 175.800 -0.211 0.000 1.123 402 F CA -2.873 54.735 58.000 -0.654 0.000 1.021 402 F CB 1.523 40.207 39.000 -0.526 0.000 1.160 402 F HN 0.346 nan 8.300 nan 0.000 0.451 403 P HA 0.179 nan 4.420 nan 0.000 0.274 403 P C -2.628 174.755 177.300 0.139 0.000 1.246 403 P CA -1.521 61.653 63.100 0.123 0.000 0.795 403 P CB -0.100 31.632 31.700 0.054 0.000 1.006 404 P HA 0.073 nan 4.420 nan 0.000 0.268 404 P C 0.860 178.245 177.300 0.141 0.000 1.204 404 P CA 0.965 64.161 63.100 0.159 0.000 0.768 404 P CB -0.013 31.768 31.700 0.135 0.000 0.842 405 G N 2.536 111.435 108.800 0.165 0.000 2.176 405 G HA2 -0.226 3.734 3.960 0.000 0.000 0.232 405 G HA3 -0.226 3.734 3.960 0.000 0.000 0.232 405 G C 0.659 175.666 174.900 0.179 0.000 0.986 405 G CA -0.014 45.174 45.100 0.146 0.000 0.643 405 G HN 0.430 nan 8.290 nan 0.000 0.522 406 I N -0.197 120.508 120.570 0.225 0.000 2.729 406 I HA 0.228 4.398 4.170 0.000 0.000 0.256 406 I C 2.559 178.897 176.117 0.369 0.000 1.115 406 I CA 0.905 62.389 61.300 0.307 0.000 1.446 406 I CB -1.224 36.885 38.000 0.182 0.000 1.176 406 I HN 0.213 nan 8.210 nan 0.000 0.446 407 L N 1.363 122.799 121.223 0.355 0.000 2.081 407 L HA -0.219 4.121 4.340 0.000 0.000 0.212 407 L C 2.540 179.493 176.870 0.139 0.000 1.080 407 L CA 2.546 57.490 54.840 0.174 0.000 0.754 407 L CB -0.906 41.176 42.059 0.037 0.000 0.893 407 L HN 0.437 nan 8.230 nan 0.000 0.433 408 T N -4.931 109.709 114.554 0.143 0.000 2.978 408 T HA -0.069 4.281 4.350 0.000 0.000 0.262 408 T C 1.754 176.422 174.700 -0.053 0.000 1.063 408 T CA 0.479 62.635 62.100 0.093 0.000 1.140 408 T CB -0.197 68.736 68.868 0.107 0.000 0.886 408 T HN 0.308 nan 8.240 nan 0.000 0.470 409 Q N 0.003 119.764 119.800 -0.065 0.000 2.163 409 Q HA 0.128 4.468 4.340 0.000 0.000 0.198 409 Q C 0.979 176.673 176.000 -0.510 0.000 0.954 409 Q CA 1.179 56.807 55.803 -0.291 0.000 0.851 409 Q CB -0.032 28.528 28.738 -0.296 0.000 0.928 409 Q HN 0.746 nan 8.270 nan 0.000 0.459 410 Y N -1.522 118.711 120.300 -0.111 0.000 2.471 410 Y HA 0.271 4.821 4.550 0.000 0.000 0.249 410 Y C 2.010 177.794 175.900 -0.193 0.000 1.116 410 Y CA 0.080 58.098 58.100 -0.136 0.000 1.240 410 Y CB 0.343 38.763 38.460 -0.068 0.000 1.251 410 Y HN 0.093 nan 8.280 nan 0.000 0.527 411 G N 1.494 110.205 108.800 -0.148 0.000 2.432 411 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 411 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 411 G C 1.773 176.270 174.900 -0.671 0.000 1.135 411 G CA 1.001 45.940 45.100 -0.269 0.000 0.767 411 G HN 0.368 nan 8.290 nan 0.000 0.550 412 R N 0.282 120.060 120.500 -1.203 0.000 2.235 412 R HA 0.096 4.436 4.340 0.000 0.000 0.213 412 R C 1.880 177.980 176.300 -0.334 0.000 1.059 412 R CA 0.994 56.481 56.100 -1.022 0.000 0.997 412 R CB -0.643 29.031 30.300 -1.043 0.000 0.884 412 R HN 0.254 nan 8.270 nan 0.000 0.462 413 V N 1.832 121.585 119.914 -0.267 0.000 2.719 413 V HA -0.133 3.987 4.120 0.000 0.000 0.252 413 V C 2.552 178.554 176.094 -0.153 0.000 1.065 413 V CA 0.942 63.146 62.300 -0.161 0.000 1.086 413 V CB -0.412 31.340 31.823 -0.119 0.000 0.700 413 V HN 0.245 nan 8.190 nan 0.000 0.467 414 L N 0.700 121.868 121.223 -0.092 0.000 2.010 414 L HA -0.265 4.075 4.340 0.000 0.000 0.219 414 L C 2.354 179.172 176.870 -0.087 0.000 1.077 414 L CA 2.478 57.283 54.840 -0.057 0.000 0.773 414 L CB -0.253 41.872 42.059 0.111 0.000 0.892 414 L HN 0.480 nan 8.230 nan 0.000 0.436 415 R N -0.969 119.580 120.500 0.081 0.000 2.613 415 R HA 0.175 4.515 4.340 0.000 0.000 0.361 415 R C 0.430 176.895 176.300 0.275 0.000 1.072 415 R CA -0.230 56.013 56.100 0.239 0.000 1.089 415 R CB -0.029 30.468 30.300 0.328 0.000 1.343 415 R HN 0.233 nan 8.270 nan 0.000 0.571 416 Q N 2.629 122.514 119.800 0.141 0.000 2.297 416 Q HA 0.207 4.547 4.340 0.000 0.000 0.267 416 Q C -2.103 174.048 176.000 0.250 0.000 1.006 416 Q CA -2.213 53.673 55.803 0.138 0.000 0.896 416 Q CB 0.924 29.682 28.738 0.034 0.000 1.186 416 Q HN 0.036 nan 8.270 nan 0.000 0.392 417 P HA -0.061 nan 4.420 nan 0.000 0.266 417 P C -1.190 176.123 177.300 0.022 0.000 1.195 417 P CA 0.074 63.101 63.100 -0.122 0.000 0.768 417 P CB 0.566 31.973 31.700 -0.488 0.000 0.838 418 V N 3.315 123.258 119.914 0.047 0.000 2.259 418 V HA 0.141 4.261 4.120 0.000 0.000 0.267 418 V C 0.846 176.915 176.094 -0.042 0.000 1.051 418 V CA 0.181 62.502 62.300 0.035 0.000 0.830 418 V CB -0.225 31.666 31.823 0.113 0.000 1.080 418 V HN 0.757 nan 8.190 nan 0.000 0.467 419 D N 4.114 124.490 120.400 -0.039 0.000 4.508 419 D HA -0.307 4.333 4.640 0.000 0.000 0.178 419 D C 1.367 177.668 176.300 0.002 0.000 0.644 419 D CA 2.485 56.480 54.000 -0.008 0.000 1.244 419 D CB -0.409 40.398 40.800 0.010 0.000 0.727 419 D HN 0.545 nan 8.370 nan 0.000 0.495 420 R N -0.144 120.376 120.500 0.033 0.000 2.472 420 R HA 0.454 4.794 4.340 0.000 0.000 0.279 420 R C -0.164 176.264 176.300 0.214 0.000 0.953 420 R CA -0.160 56.061 56.100 0.201 0.000 1.088 420 R CB 0.500 30.837 30.300 0.062 0.000 1.197 420 R HN 0.303 nan 8.270 nan 0.000 0.536 421 I N 0.483 121.009 120.570 -0.073 0.000 2.428 421 I HA 0.284 4.454 4.170 0.000 0.000 0.296 421 I C -0.668 175.054 176.117 -0.658 0.000 0.985 421 I CA -0.722 60.445 61.300 -0.222 0.000 1.260 421 I CB 0.916 38.752 38.000 -0.274 0.000 1.389 421 I HN -0.116 nan 8.210 nan 0.000 0.484 422 Y N 3.917 123.895 120.300 -0.538 0.000 2.524 422 Y HA 0.529 5.079 4.550 0.000 0.000 0.347 422 Y C -0.851 174.709 175.900 -0.566 0.000 1.005 422 Y CA -0.721 57.128 58.100 -0.418 0.000 1.025 422 Y CB 1.958 40.325 38.460 -0.155 0.000 1.275 422 Y HN 0.255 nan 8.280 nan 0.000 0.460 423 F N 1.514 121.571 119.950 0.179 0.000 2.426 423 F HA 0.771 5.298 4.527 0.000 0.000 0.348 423 F C 0.461 176.342 175.800 0.135 0.000 1.124 423 F CA -0.566 57.517 58.000 0.139 0.000 1.008 423 F CB 1.272 40.338 39.000 0.111 0.000 1.139 423 F HN 0.598 nan 8.300 nan 0.000 0.452 424 A N 2.195 125.165 122.820 0.250 0.000 3.687 424 A HA 0.948 5.268 4.320 0.000 0.000 0.164 424 A C 0.399 178.109 177.584 0.211 0.000 1.564 424 A CA -0.431 51.717 52.037 0.184 0.000 0.896 424 A CB -0.148 18.922 19.000 0.116 0.000 1.731 424 A HN 1.539 nan 8.150 nan 0.000 0.607 425 G N -2.367 106.537 108.800 0.174 0.000 2.767 425 G HA2 0.060 4.020 3.960 0.000 0.000 0.686 425 G HA3 0.060 4.020 3.960 0.000 0.000 0.686 425 G C 0.458 175.486 174.900 0.213 0.000 1.213 425 G CA 0.641 45.852 45.100 0.184 0.000 0.803 425 G HN 1.602 nan 8.290 nan 0.000 0.603 426 T N 0.259 114.939 114.554 0.210 0.000 2.869 426 T HA -0.116 4.234 4.350 0.000 0.000 0.270 426 T C 2.043 176.939 174.700 0.327 0.000 1.082 426 T CA 2.670 64.920 62.100 0.249 0.000 1.123 426 T CB -0.152 68.856 68.868 0.233 0.000 0.856 426 T HN 0.619 nan 8.240 nan 0.000 0.499 427 E N 0.311 120.711 120.200 0.333 0.000 2.338 427 E HA -0.032 4.318 4.350 0.000 0.000 0.197 427 E C 2.180 179.036 176.600 0.426 0.000 1.007 427 E CA 1.391 58.039 56.400 0.414 0.000 0.849 427 E CB -0.035 29.871 29.700 0.343 0.000 0.774 427 E HN 0.702 nan 8.360 nan 0.000 0.506 428 T N -2.710 112.062 114.554 0.363 0.000 3.069 428 T HA 0.458 4.808 4.350 0.000 0.000 0.252 428 T C 0.806 175.749 174.700 0.406 0.000 1.053 428 T CA -0.038 62.279 62.100 0.361 0.000 0.964 428 T CB 0.289 69.346 68.868 0.314 0.000 1.005 428 T HN 0.080 nan 8.240 nan 0.000 0.532 429 A N 1.888 124.950 122.820 0.404 0.000 2.406 429 A HA 0.517 4.838 4.320 0.000 0.000 0.243 429 A C 1.480 179.340 177.584 0.459 0.000 1.082 429 A CA 0.183 52.461 52.037 0.401 0.000 0.786 429 A CB 0.260 19.454 19.000 0.323 0.000 1.029 429 A HN 0.519 nan 8.150 nan 0.000 0.495 430 T N -2.211 112.590 114.554 0.411 0.000 3.044 430 T HA 0.240 4.590 4.350 0.000 0.000 0.260 430 T C 0.218 175.025 174.700 0.178 0.000 1.019 430 T CA 0.642 62.939 62.100 0.328 0.000 0.921 430 T CB -0.404 68.599 68.868 0.225 0.000 1.053 430 T HN 0.770 nan 8.240 nan 0.000 0.533 431 H N -1.071 118.030 119.070 0.052 0.000 3.018 431 H HA 0.269 4.825 4.556 0.000 0.000 0.334 431 H C -0.987 174.376 175.328 0.058 0.000 0.983 431 H CA -1.121 54.888 56.048 -0.064 0.000 1.363 431 H CB 0.829 30.605 29.762 0.022 0.000 1.668 431 H HN 0.305 nan 8.280 nan 0.000 0.513 432 W N 2.262 123.352 121.300 -0.351 0.000 4.849 432 W HA -0.256 4.404 4.660 0.000 0.000 0.358 432 W C 0.525 177.009 176.519 -0.059 0.000 1.331 432 W CA 0.989 58.100 57.345 -0.390 0.000 0.844 432 W CB -1.646 27.476 29.460 -0.564 0.000 2.434 432 W HN 0.455 nan 8.180 nan 0.000 1.458 433 S N 0.780 116.539 115.700 0.099 0.000 2.575 433 S HA 0.363 4.833 4.470 0.000 0.000 0.295 433 S C 1.346 176.157 174.600 0.352 0.000 1.267 433 S CA 1.641 59.998 58.200 0.261 0.000 1.074 433 S CB 0.659 64.082 63.200 0.372 0.000 0.829 433 S HN 1.426 nan 8.310 nan 0.000 0.497 434 G N 3.293 112.348 108.800 0.425 0.000 2.211 434 G HA2 -0.171 3.789 3.960 0.000 0.000 0.201 434 G HA3 -0.171 3.789 3.960 0.000 0.000 0.201 434 G C -0.211 174.768 174.900 0.130 0.000 0.997 434 G CA 0.028 45.362 45.100 0.389 0.000 0.652 434 G HN 0.687 nan 8.290 nan 0.000 0.500 435 Y N -0.411 120.000 120.300 0.186 0.000 2.596 435 Y HA 0.712 5.262 4.550 0.000 0.000 0.326 435 Y C 2.058 177.996 175.900 0.063 0.000 1.167 435 Y CA -0.775 57.383 58.100 0.096 0.000 1.246 435 Y CB 0.751 39.246 38.460 0.058 0.000 1.347 435 Y HN -0.038 nan 8.280 nan 0.000 0.515 436 M N -0.130 119.583 119.600 0.189 0.000 2.229 436 M HA -0.142 4.339 4.480 0.000 0.000 0.264 436 M C 1.788 178.146 176.300 0.096 0.000 1.063 436 M CA 1.546 56.918 55.300 0.119 0.000 1.114 436 M CB -0.190 32.478 32.600 0.113 0.000 1.387 436 M HN 0.769 nan 8.290 nan 0.000 0.420 437 E N 0.852 121.085 120.200 0.054 0.000 2.038 437 E HA -0.161 4.189 4.350 0.000 0.000 0.195 437 E C 1.941 178.593 176.600 0.086 0.000 1.000 437 E CA 2.103 58.499 56.400 -0.006 0.000 0.803 437 E CB -0.603 28.965 29.700 -0.218 0.000 0.750 437 E HN 0.416 nan 8.360 nan 0.000 0.448 438 G N -0.110 108.789 108.800 0.165 0.000 2.443 438 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 438 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 438 G C 1.678 176.690 174.900 0.186 0.000 1.131 438 G CA 0.886 46.109 45.100 0.205 0.000 0.775 438 G HN 0.467 nan 8.290 nan 0.000 0.547 439 A N 0.471 123.390 122.820 0.164 0.000 1.873 439 A HA -0.036 4.284 4.320 0.000 0.000 0.218 439 A C 2.619 180.264 177.584 0.101 0.000 1.193 439 A CA 2.103 54.219 52.037 0.133 0.000 0.629 439 A CB -0.792 18.275 19.000 0.112 0.000 0.826 439 A HN 0.270 nan 8.150 nan 0.000 0.447 440 V N 0.188 120.153 119.914 0.084 0.000 2.261 440 V HA -0.308 3.812 4.120 0.000 0.000 0.246 440 V C 2.574 178.707 176.094 0.064 0.000 1.047 440 V CA 2.409 64.745 62.300 0.060 0.000 1.015 440 V CB -0.940 30.911 31.823 0.047 0.000 0.642 440 V HN 0.822 nan 8.190 nan 0.000 0.446 441 E N 0.616 120.872 120.200 0.093 0.000 2.070 441 E HA -0.299 4.051 4.350 0.000 0.000 0.197 441 E C 2.154 178.795 176.600 0.068 0.000 1.004 441 E CA 1.918 58.382 56.400 0.106 0.000 0.805 441 E CB -0.281 29.527 29.700 0.180 0.000 0.744 441 E HN 0.547 nan 8.360 nan 0.000 0.451 442 A N 0.701 123.581 122.820 0.100 0.000 1.898 442 A HA -0.014 4.306 4.320 0.000 0.000 0.216 442 A C 2.461 180.067 177.584 0.037 0.000 1.181 442 A CA 1.582 53.669 52.037 0.083 0.000 0.620 442 A CB -1.152 17.945 19.000 0.162 0.000 0.819 442 A HN 0.474 nan 8.150 nan 0.000 0.442 443 G N -0.313 108.516 108.800 0.049 0.000 2.446 443 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 443 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 443 G C 1.457 176.348 174.900 -0.015 0.000 1.168 443 G CA 1.052 46.167 45.100 0.025 0.000 0.771 443 G HN 0.643 nan 8.290 nan 0.000 0.551 444 E N -0.262 119.926 120.200 -0.020 0.000 2.072 444 E HA -0.065 4.285 4.350 0.000 0.000 0.191 444 E C 2.547 179.084 176.600 -0.104 0.000 0.985 444 E CA 0.320 56.693 56.400 -0.045 0.000 0.801 444 E CB -0.156 29.531 29.700 -0.023 0.000 0.750 444 E HN 0.283 nan 8.360 nan 0.000 0.452 445 R N 1.042 121.451 120.500 -0.152 0.000 2.083 445 R HA -0.168 4.172 4.340 0.000 0.000 0.237 445 R C 2.148 178.281 176.300 -0.280 0.000 1.137 445 R CA 1.580 57.487 56.100 -0.321 0.000 0.951 445 R CB -0.258 29.715 30.300 -0.544 0.000 0.851 445 R HN 0.150 nan 8.270 nan 0.000 0.434 446 A N 0.515 123.239 122.820 -0.160 0.000 1.969 446 A HA 0.005 4.325 4.320 0.000 0.000 0.218 446 A C 2.333 179.815 177.584 -0.169 0.000 1.169 446 A CA 1.405 53.383 52.037 -0.099 0.000 0.635 446 A CB -0.505 18.503 19.000 0.012 0.000 0.810 446 A HN 0.538 nan 8.150 nan 0.000 0.445 447 A N 0.219 122.955 122.820 -0.141 0.000 1.902 447 A HA -0.165 4.155 4.320 0.000 0.000 0.217 447 A C 2.221 179.691 177.584 -0.190 0.000 1.181 447 A CA 1.488 53.435 52.037 -0.150 0.000 0.623 447 A CB -0.427 18.519 19.000 -0.091 0.000 0.818 447 A HN 0.558 nan 8.150 nan 0.000 0.443 448 R N -0.383 120.009 120.500 -0.179 0.000 2.148 448 R HA -0.047 4.293 4.340 0.000 0.000 0.223 448 R C 1.959 178.147 176.300 -0.187 0.000 1.088 448 R CA 1.143 57.145 56.100 -0.164 0.000 0.985 448 R CB -0.228 29.988 30.300 -0.140 0.000 0.880 448 R HN 0.664 nan 8.270 nan 0.000 0.451 449 E N 0.912 120.960 120.200 -0.253 0.000 2.051 449 E HA -0.170 4.180 4.350 0.000 0.000 0.192 449 E C 1.982 178.285 176.600 -0.494 0.000 0.991 449 E CA 1.112 57.353 56.400 -0.264 0.000 0.799 449 E CB -0.076 29.497 29.700 -0.211 0.000 0.748 449 E HN 0.323 nan 8.360 nan 0.000 0.449 450 I N 1.021 121.141 120.570 -0.749 0.000 2.226 450 I HA -0.277 3.893 4.170 0.000 0.000 0.245 450 I C 2.376 178.155 176.117 -0.563 0.000 1.100 450 I CA 0.901 61.652 61.300 -0.914 0.000 1.374 450 I CB -0.218 37.294 38.000 -0.814 0.000 1.057 450 I HN 0.112 nan 8.210 nan 0.000 0.413 451 L N -0.047 120.982 121.223 -0.324 0.000 2.046 451 L HA -0.272 4.068 4.340 0.000 0.000 0.208 451 L C 2.760 179.549 176.870 -0.136 0.000 1.077 451 L CA 1.587 56.314 54.840 -0.188 0.000 0.747 451 L CB -0.845 41.146 42.059 -0.113 0.000 0.896 451 L HN 0.328 nan 8.230 nan 0.000 0.432 452 H N 0.197 119.156 119.070 -0.186 0.000 2.352 452 H HA -0.172 4.384 4.556 0.000 0.000 0.299 452 H C 2.082 177.343 175.328 -0.112 0.000 1.097 452 H CA 1.585 57.562 56.048 -0.119 0.000 1.311 452 H CB 0.034 29.743 29.762 -0.089 0.000 1.377 452 H HN 0.292 nan 8.280 nan 0.000 0.504 453 A N 0.239 122.882 122.820 -0.295 0.000 2.070 453 A HA -0.122 4.198 4.320 0.000 0.000 0.220 453 A C 2.194 179.669 177.584 -0.181 0.000 1.159 453 A CA 1.705 53.584 52.037 -0.263 0.000 0.656 453 A CB -0.533 18.282 19.000 -0.308 0.000 0.800 453 A HN 0.585 nan 8.150 nan 0.000 0.453 454 M N -1.775 117.710 119.600 -0.192 0.000 2.502 454 M HA 0.231 4.711 4.480 0.000 0.000 0.243 454 M C 1.288 177.538 176.300 -0.083 0.000 1.130 454 M CA 0.716 55.973 55.300 -0.072 0.000 1.055 454 M CB 0.364 32.939 32.600 -0.042 0.000 1.457 454 M HN 0.560 nan 8.290 nan 0.000 0.488 455 G N 1.291 110.002 108.800 -0.149 0.000 2.136 455 G HA2 -0.227 3.733 3.960 0.000 0.000 0.242 455 G HA3 -0.227 3.733 3.960 0.000 0.000 0.242 455 G C 0.864 175.730 174.900 -0.057 0.000 0.989 455 G CA 0.253 45.285 45.100 -0.114 0.000 0.682 455 G HN 0.438 nan 8.290 nan 0.000 0.522 456 K N -0.366 120.001 120.400 -0.054 0.000 2.243 456 K HA 0.243 4.563 4.320 0.000 0.000 0.201 456 K C 1.444 178.041 176.600 -0.005 0.000 1.051 456 K CA 1.369 57.638 56.287 -0.029 0.000 0.970 456 K CB 0.318 32.795 32.500 -0.038 0.000 0.755 456 K HN 0.848 nan 8.250 nan 0.000 0.465 457 I N -1.455 119.126 120.570 0.019 0.000 2.969 457 I HA 0.441 4.612 4.170 0.000 0.000 0.307 457 I C -2.966 173.243 176.117 0.153 0.000 1.149 457 I CA -2.929 58.406 61.300 0.058 0.000 1.008 457 I CB 2.389 40.412 38.000 0.038 0.000 1.232 457 I HN -0.261 nan 8.210 nan 0.000 0.435 458 P HA 0.096 nan 4.420 nan 0.000 0.274 458 P C 0.317 177.669 177.300 0.087 0.000 1.246 458 P CA -0.070 63.127 63.100 0.162 0.000 0.795 458 P CB 1.047 32.796 31.700 0.081 0.000 1.006 459 E N 0.585 120.752 120.200 -0.056 0.000 2.114 459 E HA -0.321 4.029 4.350 0.000 0.000 0.199 459 E C 1.026 177.559 176.600 -0.112 0.000 1.008 459 E CA 1.690 57.875 56.400 -0.357 0.000 0.810 459 E CB -0.336 29.225 29.700 -0.231 0.000 0.739 459 E HN 0.309 nan 8.360 nan 0.000 0.456 460 D N 0.522 120.910 120.400 -0.020 0.000 2.244 460 D HA -0.203 4.437 4.640 0.000 0.000 0.197 460 D C 1.174 177.498 176.300 0.039 0.000 1.006 460 D CA 1.394 55.408 54.000 0.023 0.000 0.888 460 D CB -0.049 40.767 40.800 0.028 0.000 0.912 460 D HN 0.403 nan 8.370 nan 0.000 0.452 461 E N -1.316 118.894 120.200 0.016 0.000 2.481 461 E HA 0.141 4.491 4.350 0.000 0.000 0.198 461 E C 1.928 178.526 176.600 -0.004 0.000 1.027 461 E CA -0.298 56.115 56.400 0.021 0.000 0.900 461 E CB 0.509 30.219 29.700 0.017 0.000 0.993 461 E HN 0.317 nan 8.360 nan 0.000 0.482 462 I N -0.084 120.467 120.570 -0.032 0.000 2.202 462 I HA -0.165 4.005 4.170 0.000 0.000 0.242 462 I C 0.521 176.506 176.117 -0.221 0.000 1.091 462 I CA 1.106 62.321 61.300 -0.143 0.000 1.368 462 I CB 0.082 37.974 38.000 -0.181 0.000 1.058 462 I HN 0.083 nan 8.210 nan 0.000 0.410 463 W N 1.319 122.620 121.300 0.001 0.000 2.391 463 W HA 0.535 5.195 4.660 0.000 0.000 0.311 463 W C 0.062 176.591 176.519 0.016 0.000 1.087 463 W CA -0.224 57.133 57.345 0.021 0.000 1.209 463 W CB 0.809 30.283 29.460 0.023 0.000 1.273 463 W HN -0.069 nan 8.180 nan 0.000 0.482 464 Q N 2.549 122.482 119.800 0.222 0.000 2.289 464 Q HA 0.417 4.757 4.340 0.000 0.000 0.270 464 Q C -0.300 175.779 176.000 0.130 0.000 1.038 464 Q CA -0.557 55.326 55.803 0.133 0.000 0.812 464 Q CB 1.797 30.576 28.738 0.068 0.000 1.300 464 Q HN 0.495 nan 8.270 nan 0.000 0.427 465 S N 2.348 118.109 115.700 0.103 0.000 2.617 465 S HA 0.446 4.916 4.470 0.000 0.000 0.269 465 S C -0.251 174.395 174.600 0.076 0.000 1.292 465 S CA -0.570 57.684 58.200 0.090 0.000 1.010 465 S CB 1.493 64.731 63.200 0.062 0.000 0.944 465 S HN 0.660 nan 8.310 nan 0.000 0.536 466 E N 1.322 121.569 120.200 0.080 0.000 2.176 466 E HA 0.590 4.940 4.350 0.000 0.000 0.267 466 E C -2.678 173.955 176.600 0.055 0.000 0.893 466 E CA -2.172 54.269 56.400 0.068 0.000 0.761 466 E CB 0.923 30.673 29.700 0.083 0.000 1.133 466 E HN 0.567 nan 8.360 nan 0.000 0.409 467 P HA 0.090 nan 4.420 nan 0.000 0.269 467 P C -0.737 176.584 177.300 0.035 0.000 1.209 467 P CA -0.235 62.885 63.100 0.033 0.000 0.776 467 P CB 0.523 32.239 31.700 0.026 0.000 0.876 468 E N 1.304 121.523 120.200 0.031 0.000 2.392 468 E HA 0.105 4.456 4.350 0.000 0.000 0.264 468 E C -0.103 176.510 176.600 0.021 0.000 1.024 468 E CA -0.344 56.073 56.400 0.030 0.000 0.903 468 E CB 0.434 30.151 29.700 0.027 0.000 0.963 468 E HN 0.399 nan 8.360 nan 0.000 0.432 469 S N 2.940 118.650 115.700 0.017 0.000 2.546 469 S HA -0.050 4.420 4.470 0.000 0.000 0.290 469 S C 1.086 175.693 174.600 0.010 0.000 1.290 469 S CA -0.105 58.103 58.200 0.012 0.000 1.069 469 S CB 0.891 64.093 63.200 0.003 0.000 0.846 469 S HN 0.558 nan 8.310 nan 0.000 0.495 470 V N 1.980 121.901 119.914 0.012 0.000 3.306 470 V HA 0.102 4.222 4.120 0.000 0.000 0.264 470 V C 1.242 177.342 176.094 0.009 0.000 1.149 470 V CA 1.391 63.697 62.300 0.011 0.000 1.143 470 V CB -0.479 31.351 31.823 0.012 0.000 0.767 470 V HN 0.828 nan 8.190 nan 0.000 0.476 471 D N 0.913 121.319 120.400 0.009 0.000 2.277 471 D HA 0.127 4.767 4.640 0.000 0.000 0.209 471 D C 0.867 177.166 176.300 -0.001 0.000 0.970 471 D CA 1.110 55.115 54.000 0.009 0.000 0.874 471 D CB 0.931 41.740 40.800 0.016 0.000 0.982 471 D HN 0.531 nan 8.370 nan 0.000 0.504 472 V N 3.489 123.398 119.914 -0.009 0.000 2.454 472 V HA 0.194 4.314 4.120 0.000 0.000 0.255 472 V C -2.410 173.674 176.094 -0.017 0.000 1.009 472 V CA -1.177 61.109 62.300 -0.024 0.000 1.149 472 V CB 1.012 32.804 31.823 -0.052 0.000 1.418 472 V HN -0.030 nan 8.190 nan 0.000 0.567 473 P HA 0.366 nan 4.420 nan 0.000 0.274 473 P C -0.312 176.990 177.300 0.003 0.000 1.237 473 P CA 0.059 63.160 63.100 0.002 0.000 0.793 473 P CB 1.516 33.219 31.700 0.005 0.000 0.977 474 A N 2.717 125.544 122.820 0.012 0.000 2.289 474 A HA 0.279 4.599 4.320 0.000 0.000 0.298 474 A C 0.364 177.956 177.584 0.013 0.000 1.208 474 A CA -0.520 51.528 52.037 0.018 0.000 0.845 474 A CB 0.086 19.108 19.000 0.037 0.000 1.125 474 A HN 0.461 nan 8.150 nan 0.000 0.517 475 Q N 2.654 122.461 119.800 0.011 0.000 2.293 475 Q HA 0.299 4.639 4.340 0.000 0.000 0.251 475 Q C -2.189 173.816 176.000 0.008 0.000 0.930 475 Q CA -1.503 54.305 55.803 0.008 0.000 0.893 475 Q CB 0.897 29.640 28.738 0.008 0.000 1.215 475 Q HN 0.577 nan 8.270 nan 0.000 0.425 476 P HA 0.161 nan 4.420 nan 0.000 0.272 476 P C -0.380 176.917 177.300 -0.004 0.000 1.223 476 P CA -0.297 62.801 63.100 -0.003 0.000 0.784 476 P CB 0.754 32.451 31.700 -0.006 0.000 0.923 477 I N 2.321 122.883 120.570 -0.013 0.000 2.352 477 I HA 0.161 4.331 4.170 0.000 0.000 0.290 477 I C 1.076 177.179 176.117 -0.023 0.000 1.036 477 I CA 0.194 61.483 61.300 -0.017 0.000 1.336 477 I CB 0.126 38.107 38.000 -0.032 0.000 1.407 477 I HN 0.400 nan 8.210 nan 0.000 0.497 478 T N 1.902 116.446 114.554 -0.017 0.000 2.856 478 T HA 0.714 5.064 4.350 0.000 0.000 0.283 478 T C 0.044 174.724 174.700 -0.033 0.000 1.008 478 T CA -0.750 61.338 62.100 -0.019 0.000 0.997 478 T CB 1.929 70.794 68.868 -0.005 0.000 0.992 478 T HN 0.623 nan 8.240 nan 0.000 0.454 479 T N -0.522 114.010 114.554 -0.037 0.000 2.918 479 T HA 0.679 5.029 4.350 0.000 0.000 0.286 479 T C 0.609 175.303 174.700 -0.010 0.000 1.026 479 T CA -0.703 61.367 62.100 -0.050 0.000 1.031 479 T CB 1.185 70.003 68.868 -0.083 0.000 1.046 479 T HN 0.968 nan 8.240 nan 0.000 0.479 480 T N 0.001 114.552 114.554 -0.004 0.000 2.788 480 T HA 0.316 4.666 4.350 0.000 0.000 0.287 480 T C 0.805 175.565 174.700 0.101 0.000 1.007 480 T CA -0.761 61.373 62.100 0.057 0.000 1.005 480 T CB 0.332 69.232 68.868 0.054 0.000 1.012 480 T HN 0.542 nan 8.240 nan 0.000 0.530 481 F N 0.469 120.440 119.950 0.035 0.000 2.146 481 F HA 0.092 4.619 4.527 0.000 0.000 0.298 481 F C 1.972 177.853 175.800 0.135 0.000 1.096 481 F CA 1.159 59.226 58.000 0.112 0.000 1.275 481 F CB -0.450 38.603 39.000 0.088 0.000 1.008 481 F HN 0.476 nan 8.300 nan 0.000 0.480 482 L N 0.144 121.456 121.223 0.149 0.000 2.017 482 L HA -0.232 4.108 4.340 0.000 0.000 0.208 482 L C 2.394 179.242 176.870 -0.037 0.000 1.073 482 L CA 1.861 56.731 54.840 0.050 0.000 0.745 482 L CB -0.886 41.225 42.059 0.088 0.000 0.894 482 L HN 0.148 nan 8.230 nan 0.000 0.432 483 E N -0.087 120.095 120.200 -0.030 0.000 2.114 483 E HA -0.263 4.087 4.350 0.000 0.000 0.199 483 E C 2.312 178.809 176.600 -0.172 0.000 1.008 483 E CA 1.377 57.731 56.400 -0.077 0.000 0.810 483 E CB -0.079 29.566 29.700 -0.092 0.000 0.739 483 E HN 0.433 nan 8.360 nan 0.000 0.456 484 R N -0.552 119.786 120.500 -0.269 0.000 2.153 484 R HA -0.012 4.328 4.340 0.000 0.000 0.218 484 R C 1.639 177.515 176.300 -0.706 0.000 1.072 484 R CA 0.902 56.710 56.100 -0.486 0.000 0.990 484 R CB 0.061 30.004 30.300 -0.595 0.000 0.889 484 R HN 0.343 nan 8.270 nan 0.000 0.452 485 H N -0.541 118.324 119.070 -0.342 0.000 3.046 485 H HA 0.222 4.778 4.556 0.000 0.000 0.262 485 H C 0.478 175.689 175.328 -0.196 0.000 1.044 485 H CA -0.252 55.594 56.048 -0.337 0.000 1.209 485 H CB 0.583 29.976 29.762 -0.615 0.000 1.507 485 H HN -0.009 nan 8.280 nan 0.000 0.507 486 L N 4.631 125.818 121.223 -0.059 0.000 2.525 486 L HA 0.014 4.354 4.340 0.000 0.000 0.278 486 L C -1.598 175.251 176.870 -0.036 0.000 1.218 486 L CA -1.218 53.612 54.840 -0.015 0.000 0.878 486 L CB 0.185 42.265 42.059 0.036 0.000 1.127 486 L HN 0.009 nan 8.230 nan 0.000 0.492 487 P HA 0.108 nan 4.420 nan 0.000 0.274 487 P C -0.611 176.646 177.300 -0.071 0.000 1.256 487 P CA -0.579 62.487 63.100 -0.056 0.000 0.795 487 P CB 0.791 32.456 31.700 -0.057 0.000 1.038 488 S N -0.735 114.901 115.700 -0.107 0.000 2.661 488 S HA 0.151 4.621 4.470 0.000 0.000 0.265 488 S C 1.538 176.009 174.600 -0.216 0.000 1.225 488 S CA -0.627 57.486 58.200 -0.146 0.000 0.986 488 S CB -0.321 62.779 63.200 -0.167 0.000 1.008 488 S HN 0.213 nan 8.310 nan 0.000 0.565 489 V N 2.432 122.159 119.914 -0.311 0.000 2.233 489 V HA -0.097 4.023 4.120 0.000 0.000 0.247 489 V C -0.409 175.286 176.094 -0.665 0.000 1.050 489 V CA 2.065 64.098 62.300 -0.445 0.000 1.010 489 V CB -2.012 29.553 31.823 -0.431 0.000 0.637 489 V HN 0.803 nan 8.190 nan 0.000 0.444 490 P HA -0.116 nan 4.420 nan 0.000 0.218 490 P C 1.703 178.789 177.300 -0.357 0.000 1.149 490 P CA 2.057 64.678 63.100 -0.799 0.000 0.817 490 P CB -0.294 31.006 31.700 -0.667 0.000 0.785 491 G N 0.287 108.925 108.800 -0.271 0.000 2.422 491 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 491 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 491 G C 1.496 176.319 174.900 -0.128 0.000 1.140 491 G CA 0.381 45.388 45.100 -0.155 0.000 0.775 491 G HN 0.233 nan 8.290 nan 0.000 0.545 492 L N 0.361 121.495 121.223 -0.149 0.000 2.056 492 L HA 0.198 4.538 4.340 0.000 0.000 0.207 492 L C 2.636 179.446 176.870 -0.100 0.000 1.078 492 L CA 1.233 56.010 54.840 -0.106 0.000 0.749 492 L CB -0.439 41.562 42.059 -0.097 0.000 0.901 492 L HN 0.177 nan 8.230 nan 0.000 0.433 493 L N -0.801 120.333 121.223 -0.148 0.000 2.046 493 L HA -0.219 4.121 4.340 0.000 0.000 0.208 493 L C 2.750 179.577 176.870 -0.070 0.000 1.077 493 L CA 1.399 56.173 54.840 -0.109 0.000 0.747 493 L CB -0.395 41.570 42.059 -0.155 0.000 0.896 493 L HN 0.212 nan 8.230 nan 0.000 0.432 494 R N -0.627 119.824 120.500 -0.082 0.000 2.120 494 R HA -0.159 4.181 4.340 0.000 0.000 0.234 494 R C 2.140 178.419 176.300 -0.036 0.000 1.123 494 R CA 1.004 57.076 56.100 -0.048 0.000 0.975 494 R CB -0.240 30.031 30.300 -0.048 0.000 0.866 494 R HN 0.184 nan 8.270 nan 0.000 0.446 495 L N 0.235 121.432 121.223 -0.044 0.000 2.109 495 L HA -0.044 4.296 4.340 0.000 0.000 0.207 495 L C 1.850 178.707 176.870 -0.022 0.000 1.086 495 L CA 1.344 56.166 54.840 -0.030 0.000 0.760 495 L CB -0.017 42.023 42.059 -0.032 0.000 0.910 495 L HN 0.136 nan 8.230 nan 0.000 0.437 496 I N -1.089 119.466 120.570 -0.025 0.000 2.286 496 I HA -0.214 3.956 4.170 0.000 0.000 0.248 496 I C 2.423 178.535 176.117 -0.009 0.000 1.115 496 I CA 1.240 62.531 61.300 -0.015 0.000 1.392 496 I CB -0.961 37.030 38.000 -0.014 0.000 1.065 496 I HN 0.353 nan 8.210 nan 0.000 0.418 497 G N 0.896 109.690 108.800 -0.010 0.000 2.422 497 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 497 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 497 G C 1.723 176.622 174.900 -0.002 0.000 1.146 497 G CA 0.523 45.622 45.100 -0.003 0.000 0.769 497 G HN 0.248 nan 8.290 nan 0.000 0.547 498 L N -0.223 120.997 121.223 -0.006 0.000 2.068 498 L HA 0.026 4.366 4.340 0.000 0.000 0.204 498 L C 3.085 179.953 176.870 -0.003 0.000 1.076 498 L CA 1.442 56.279 54.840 -0.004 0.000 0.753 498 L CB -0.391 41.665 42.059 -0.006 0.000 0.910 498 L HN 0.274 nan 8.230 nan 0.000 0.439 499 T N -1.405 113.147 114.554 -0.004 0.000 2.946 499 T HA -0.158 4.192 4.350 0.000 0.000 0.271 499 T C 1.702 176.402 174.700 -0.001 0.000 1.104 499 T CA 1.815 63.914 62.100 -0.003 0.000 1.114 499 T CB -0.236 68.630 68.868 -0.003 0.000 0.867 499 T HN 0.614 nan 8.240 nan 0.000 0.513 500 T N 0.090 114.644 114.554 0.000 0.000 2.837 500 T HA 0.366 4.716 4.350 0.000 0.000 0.242 500 T C 1.588 176.290 174.700 0.002 0.000 1.044 500 T CA 0.759 62.861 62.100 0.002 0.000 1.202 500 T CB -1.229 67.641 68.868 0.003 0.000 0.905 500 T HN 0.422 nan 8.240 nan 0.000 0.413 501 I N 0.000 120.572 120.570 0.003 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.302 61.300 0.003 0.000 1.566 501 I CB 0.000 38.002 38.000 0.004 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494