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 1oj9_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.501 175.510 -0.015 0.000 1.280 3 N CA 0.000 52.940 53.050 -0.183 0.000 0.885 3 N CB 0.000 38.419 38.487 -0.113 0.000 1.341 4 K N 1.885 122.291 120.400 0.011 0.000 2.172 4 K HA 0.578 4.898 4.320 -0.000 0.000 0.276 4 K C 0.088 176.726 176.600 0.063 0.000 1.013 4 K CA -0.352 55.957 56.287 0.037 0.000 0.913 4 K CB 1.969 34.479 32.500 0.015 0.000 1.055 4 K HN 0.652 nan 8.250 nan 0.000 0.461 5 C N -1.204 118.137 119.300 0.068 0.000 3.284 5 C HA 0.353 4.813 4.460 -0.000 0.000 0.348 5 C C 0.667 175.692 174.990 0.060 0.000 1.448 5 C CA -0.803 58.257 59.018 0.069 0.000 1.223 5 C CB 0.931 28.726 27.740 0.090 0.000 1.588 5 C HN 0.815 nan 8.230 nan 0.000 0.451 6 D N 0.327 120.766 120.400 0.064 0.000 2.120 6 D HA 0.117 4.757 4.640 -0.000 0.000 0.202 6 D C 0.392 176.756 176.300 0.108 0.000 0.972 6 D CA 1.695 55.742 54.000 0.079 0.000 0.837 6 D CB 0.214 41.059 40.800 0.076 0.000 0.989 6 D HN 0.502 nan 8.370 nan 0.000 0.469 7 V N 1.455 121.423 119.914 0.090 0.000 2.623 7 V HA 0.250 4.370 4.120 -0.000 0.000 0.304 7 V C -0.145 175.981 176.094 0.053 0.000 1.054 7 V CA -0.855 61.500 62.300 0.091 0.000 0.882 7 V CB 2.774 34.639 31.823 0.071 0.000 1.002 7 V HN -0.243 nan 8.190 nan 0.000 0.424 8 V N 5.321 125.262 119.914 0.045 0.000 2.407 8 V HA 0.392 4.512 4.120 -0.000 0.000 0.278 8 V C -0.028 176.059 176.094 -0.011 0.000 1.037 8 V CA -0.379 61.919 62.300 -0.003 0.000 0.900 8 V CB 1.811 33.626 31.823 -0.013 0.000 0.983 8 V HN 0.644 nan 8.190 nan 0.000 0.459 9 V N 6.227 126.120 119.914 -0.035 0.000 2.370 9 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 9 V C -0.007 176.060 176.094 -0.045 0.000 1.029 9 V CA -0.592 61.691 62.300 -0.027 0.000 0.870 9 V CB 1.737 33.548 31.823 -0.021 0.000 0.984 9 V HN 0.597 nan 8.190 nan 0.000 0.451 10 V N 4.399 124.300 119.914 -0.021 0.000 2.348 10 V HA 0.824 4.944 4.120 -0.000 0.000 0.270 10 V C 0.673 176.772 176.094 0.008 0.000 1.037 10 V CA 0.358 62.648 62.300 -0.017 0.000 0.872 10 V CB 0.407 32.237 31.823 0.012 0.000 1.002 10 V HN 1.285 nan 8.190 nan 0.000 0.464 11 G N 3.564 112.356 108.800 -0.013 0.000 3.233 11 G HA2 0.205 4.165 3.960 -0.000 0.000 0.686 11 G HA3 0.205 4.165 3.960 -0.000 0.000 0.686 11 G C 0.068 174.970 174.900 0.002 0.000 1.153 11 G CA -0.501 44.603 45.100 0.007 0.000 0.853 11 G HN 1.214 nan 8.290 nan 0.000 0.582 12 G N 0.737 109.536 108.800 -0.002 0.000 3.959 12 G HA2 0.679 4.639 3.960 -0.000 0.000 0.298 12 G HA3 0.679 4.639 3.960 -0.000 0.000 0.298 12 G C 0.873 175.787 174.900 0.023 0.000 1.211 12 G CA 0.938 46.038 45.100 -0.001 0.000 1.001 12 G HN 1.291 nan 8.290 nan 0.000 0.561 13 G N -0.144 108.682 108.800 0.043 0.000 2.535 13 G HA2 0.355 4.315 3.960 -0.000 0.000 0.282 13 G HA3 0.355 4.315 3.960 -0.000 0.000 0.282 13 G C 1.187 176.113 174.900 0.044 0.000 1.350 13 G CA -0.765 44.369 45.100 0.058 0.000 1.039 13 G HN 0.129 nan 8.290 nan 0.000 0.509 14 I N -0.538 120.061 120.570 0.047 0.000 2.194 14 I HA -0.228 3.942 4.170 -0.000 0.000 0.246 14 I C 3.020 179.160 176.117 0.038 0.000 1.093 14 I CA 1.671 62.991 61.300 0.034 0.000 1.355 14 I CB -0.084 37.939 38.000 0.039 0.000 1.046 14 I HN 0.473 nan 8.210 nan 0.000 0.413 15 S N 0.469 116.204 115.700 0.059 0.000 2.355 15 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 15 S C 2.103 176.731 174.600 0.045 0.000 1.031 15 S CA 1.597 59.835 58.200 0.064 0.000 0.993 15 S CB -0.588 62.668 63.200 0.095 0.000 0.859 15 S HN 0.570 nan 8.310 nan 0.000 0.453 16 G N 1.559 110.384 108.800 0.042 0.000 2.418 16 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 16 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 16 G C 1.453 176.357 174.900 0.006 0.000 1.158 16 G CA 0.982 46.096 45.100 0.024 0.000 0.771 16 G HN 0.399 nan 8.290 nan 0.000 0.545 17 M N 1.215 120.817 119.600 0.003 0.000 2.117 17 M HA 0.081 4.561 4.480 -0.000 0.000 0.262 17 M C 2.995 179.289 176.300 -0.011 0.000 1.065 17 M CA 1.212 56.506 55.300 -0.011 0.000 1.114 17 M CB -1.343 31.248 32.600 -0.016 0.000 1.361 17 M HN 0.313 nan 8.290 nan 0.000 0.408 18 A N 0.376 123.195 122.820 -0.002 0.000 1.877 18 A HA 0.003 4.322 4.320 -0.000 0.000 0.216 18 A C 2.481 180.063 177.584 -0.003 0.000 1.186 18 A CA 2.210 54.246 52.037 -0.002 0.000 0.620 18 A CB -1.009 17.995 19.000 0.007 0.000 0.822 18 A HN 0.462 nan 8.150 nan 0.000 0.443 19 A N -0.024 122.794 122.820 -0.002 0.000 1.892 19 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 19 A C 2.541 180.120 177.584 -0.007 0.000 1.188 19 A CA 2.537 54.568 52.037 -0.011 0.000 0.631 19 A CB -1.157 17.838 19.000 -0.009 0.000 0.822 19 A HN 1.139 nan 8.150 nan 0.000 0.447 20 A N -0.689 122.128 122.820 -0.003 0.000 1.902 20 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 20 A C 2.158 179.758 177.584 0.027 0.000 1.181 20 A CA 1.961 54.000 52.037 0.003 0.000 0.623 20 A CB -0.468 18.522 19.000 -0.017 0.000 0.818 20 A HN 0.544 nan 8.150 nan 0.000 0.443 21 K N -0.516 119.892 120.400 0.012 0.000 2.032 21 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 21 K C 2.022 178.660 176.600 0.064 0.000 1.048 21 K CA 1.615 57.924 56.287 0.036 0.000 0.927 21 K CB -0.341 32.164 32.500 0.008 0.000 0.712 21 K HN 0.476 nan 8.250 nan 0.000 0.441 22 L N 1.223 122.462 121.223 0.026 0.000 2.012 22 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 22 L C 2.265 179.141 176.870 0.010 0.000 1.073 22 L CA 1.273 56.118 54.840 0.009 0.000 0.748 22 L CB -0.192 41.858 42.059 -0.015 0.000 0.891 22 L HN 0.242 nan 8.230 nan 0.000 0.431 23 L N -1.079 120.151 121.223 0.012 0.000 2.046 23 L HA -0.282 4.058 4.340 -0.000 0.000 0.208 23 L C 2.599 179.490 176.870 0.035 0.000 1.077 23 L CA 1.585 56.429 54.840 0.007 0.000 0.747 23 L CB -0.793 41.268 42.059 0.003 0.000 0.896 23 L HN 0.437 nan 8.230 nan 0.000 0.432 24 H N 0.061 119.119 119.070 -0.020 0.000 2.357 24 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 24 H C 1.732 177.052 175.328 -0.013 0.000 1.082 24 H CA 1.854 57.894 56.048 -0.013 0.000 1.342 24 H CB 0.065 29.820 29.762 -0.012 0.000 1.389 24 H HN 0.208 nan 8.280 nan 0.000 0.511 25 D N -0.665 119.724 120.400 -0.018 0.000 2.264 25 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 25 D C 1.650 177.898 176.300 -0.087 0.000 0.966 25 D CA 0.942 54.902 54.000 -0.066 0.000 0.864 25 D CB -0.091 40.715 40.800 0.011 0.000 0.933 25 D HN 0.301 nan 8.370 nan 0.000 0.499 26 S N -1.235 114.423 115.700 -0.070 0.000 2.593 26 S HA 0.281 4.751 4.470 -0.000 0.000 0.217 26 S C 1.577 176.133 174.600 -0.074 0.000 0.966 26 S CA 0.546 58.709 58.200 -0.061 0.000 0.914 26 S CB 0.746 63.919 63.200 -0.045 0.000 0.776 26 S HN 0.438 nan 8.310 nan 0.000 0.523 27 G N 0.865 109.596 108.800 -0.115 0.000 2.179 27 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 27 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 27 G C 0.009 174.865 174.900 -0.073 0.000 0.990 27 G CA -0.388 44.646 45.100 -0.109 0.000 0.646 27 G HN 0.406 nan 8.290 nan 0.000 0.517 28 L N 0.996 122.191 121.223 -0.048 0.000 2.418 28 L HA 0.401 4.741 4.340 -0.000 0.000 0.265 28 L C 0.120 177.006 176.870 0.027 0.000 1.143 28 L CA -0.911 53.927 54.840 -0.004 0.000 0.809 28 L CB 0.508 42.572 42.059 0.009 0.000 1.124 28 L HN 0.042 nan 8.230 nan 0.000 0.456 29 N N 2.099 120.825 118.700 0.044 0.000 2.408 29 N HA 0.298 5.038 4.740 -0.000 0.000 0.257 29 N C -0.672 174.882 175.510 0.075 0.000 1.064 29 N CA -0.107 52.985 53.050 0.070 0.000 0.952 29 N CB 1.827 40.349 38.487 0.058 0.000 1.093 29 N HN 0.369 nan 8.380 nan 0.000 0.490 30 V N -0.013 119.954 119.914 0.088 0.000 2.769 30 V HA 0.719 4.838 4.120 -0.000 0.000 0.312 30 V C -0.200 175.916 176.094 0.036 0.000 1.061 30 V CA -0.741 61.594 62.300 0.059 0.000 0.931 30 V CB 1.967 33.824 31.823 0.055 0.000 1.010 30 V HN 0.170 nan 8.190 nan 0.000 0.433 31 V N 3.914 123.833 119.914 0.008 0.000 2.656 31 V HA 0.564 4.684 4.120 -0.000 0.000 0.307 31 V C -0.343 175.699 176.094 -0.088 0.000 1.051 31 V CA -0.534 61.743 62.300 -0.038 0.000 0.893 31 V CB 2.103 33.902 31.823 -0.040 0.000 0.999 31 V HN 0.844 nan 8.190 nan 0.000 0.426 32 V N 6.125 125.978 119.914 -0.101 0.000 2.370 32 V HA 0.463 4.583 4.120 -0.000 0.000 0.283 32 V C -0.246 175.755 176.094 -0.155 0.000 1.023 32 V CA -0.453 61.785 62.300 -0.104 0.000 0.857 32 V CB 1.531 33.312 31.823 -0.070 0.000 0.985 32 V HN 0.613 nan 8.190 nan 0.000 0.443 33 L N 4.604 125.721 121.223 -0.177 0.000 2.262 33 L HA 0.602 4.942 4.340 -0.000 0.000 0.288 33 L C -0.189 176.601 176.870 -0.133 0.000 1.035 33 L CA -0.339 54.379 54.840 -0.203 0.000 0.820 33 L CB 1.424 43.320 42.059 -0.271 0.000 1.204 33 L HN 0.623 nan 8.230 nan 0.000 0.424 34 E N 2.341 122.468 120.200 -0.123 0.000 2.187 34 E HA 0.510 4.860 4.350 -0.000 0.000 0.268 34 E C 0.245 176.744 176.600 -0.168 0.000 0.896 34 E CA -0.328 56.002 56.400 -0.116 0.000 0.766 34 E CB 2.095 31.747 29.700 -0.079 0.000 1.142 34 E HN 0.535 nan 8.360 nan 0.000 0.408 35 A N 5.223 127.881 122.820 -0.270 0.000 1.929 35 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 35 A C 1.051 178.407 177.584 -0.381 0.000 1.176 35 A CA 0.878 52.621 52.037 -0.489 0.000 0.628 35 A CB -0.154 18.167 19.000 -1.133 0.000 0.816 35 A HN 0.593 nan 8.150 nan 0.000 0.444 36 R N -0.003 120.350 120.500 -0.245 0.000 2.580 36 R HA 0.256 4.596 4.340 -0.000 0.000 0.267 36 R C 0.110 176.366 176.300 -0.072 0.000 1.125 36 R CA 0.157 56.188 56.100 -0.115 0.000 1.188 36 R CB 0.174 30.443 30.300 -0.050 0.000 1.155 36 R HN 0.437 nan 8.270 nan 0.000 0.586 37 D N 0.269 120.644 120.400 -0.042 0.000 2.323 37 D HA -0.026 4.614 4.640 -0.000 0.000 0.239 37 D C -0.178 176.117 176.300 -0.008 0.000 1.129 37 D CA 0.054 54.039 54.000 -0.024 0.000 0.865 37 D CB -0.083 40.707 40.800 -0.016 0.000 0.913 37 D HN 0.427 nan 8.370 nan 0.000 0.517 38 R N -1.325 119.171 120.500 -0.007 0.000 2.710 38 R HA 0.582 4.922 4.340 -0.000 0.000 0.270 38 R C -0.782 175.533 176.300 0.025 0.000 1.021 38 R CA -1.133 54.982 56.100 0.024 0.000 0.889 38 R CB 1.152 31.486 30.300 0.057 0.000 1.243 38 R HN -0.096 nan 8.270 nan 0.000 0.464 39 V N -1.417 118.521 119.914 0.041 0.000 3.109 39 V HA 0.879 4.999 4.120 -0.000 0.000 0.317 39 V C 0.898 177.044 176.094 0.087 0.000 1.074 39 V CA 0.440 62.765 62.300 0.042 0.000 1.033 39 V CB 0.832 32.666 31.823 0.018 0.000 1.111 39 V HN 1.200 nan 8.190 nan 0.000 0.458 40 G N -0.697 108.154 108.800 0.086 0.000 2.391 40 G HA2 0.173 4.133 3.960 -0.000 0.000 0.204 40 G HA3 0.173 4.133 3.960 -0.000 0.000 0.204 40 G C 1.561 176.548 174.900 0.144 0.000 1.012 40 G CA 0.752 45.924 45.100 0.120 0.000 0.651 40 G HN 2.559 nan 8.290 nan 0.000 0.494 41 G N 0.660 109.556 108.800 0.160 0.000 2.646 41 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.324 41 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.324 41 G C 0.992 176.052 174.900 0.267 0.000 1.195 41 G CA 1.554 46.767 45.100 0.187 0.000 0.976 41 G HN 1.156 nan 8.290 nan 0.000 0.546 42 R N 1.859 122.431 120.500 0.121 0.000 2.313 42 R HA 0.230 4.570 4.340 -0.000 0.000 0.199 42 R C 0.996 177.214 176.300 -0.137 0.000 0.958 42 R CA 1.011 57.026 56.100 -0.143 0.000 1.047 42 R CB -0.095 30.078 30.300 -0.210 0.000 0.955 42 R HN 0.698 nan 8.270 nan 0.000 0.481 43 T N -2.307 112.308 114.554 0.101 0.000 2.829 43 T HA 0.358 4.708 4.350 -0.000 0.000 0.282 43 T C -0.937 173.987 174.700 0.374 0.000 0.990 43 T CA -0.632 61.572 62.100 0.175 0.000 1.028 43 T CB 1.554 70.489 68.868 0.112 0.000 0.951 43 T HN 0.106 nan 8.240 nan 0.000 0.460 44 Y N 1.259 121.711 120.300 0.254 0.000 2.323 44 Y HA 0.434 4.984 4.550 -0.000 0.000 0.322 44 Y C -1.129 174.881 175.900 0.185 0.000 1.133 44 Y CA -0.812 57.430 58.100 0.236 0.000 1.093 44 Y CB 1.590 40.239 38.460 0.314 0.000 1.203 44 Y HN 0.859 nan 8.280 nan 0.000 0.427 45 T N 7.884 122.263 114.554 -0.292 0.000 2.753 45 T HA 0.383 4.733 4.350 -0.000 0.000 0.297 45 T C -0.783 173.567 174.700 -0.583 0.000 0.981 45 T CA -0.347 61.568 62.100 -0.309 0.000 0.956 45 T CB 0.429 69.237 68.868 -0.101 0.000 0.936 45 T HN 0.581 nan 8.240 nan 0.000 0.463 46 L N 4.739 125.646 121.223 -0.527 0.000 2.305 46 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 46 L C -0.254 176.541 176.870 -0.125 0.000 1.085 46 L CA -0.121 54.502 54.840 -0.363 0.000 0.813 46 L CB 0.454 42.389 42.059 -0.207 0.000 1.157 46 L HN 0.453 nan 8.230 nan 0.000 0.436 47 R N 3.640 124.093 120.500 -0.079 0.000 2.437 47 R HA 0.608 4.948 4.340 -0.000 0.000 0.310 47 R C -1.042 175.235 176.300 -0.039 0.000 0.955 47 R CA -0.566 55.511 56.100 -0.037 0.000 0.851 47 R CB 1.243 31.534 30.300 -0.016 0.000 1.161 47 R HN 0.873 nan 8.270 nan 0.000 0.446 48 N N -0.941 117.718 118.700 -0.068 0.000 2.934 48 N HA 0.095 4.835 4.740 -0.000 0.000 0.253 48 N C -0.065 175.382 175.510 -0.104 0.000 1.466 48 N CA -0.897 52.110 53.050 -0.072 0.000 0.858 48 N CB 0.703 39.150 38.487 -0.068 0.000 1.459 48 N HN 0.159 nan 8.380 nan 0.000 0.532 49 Q N -0.355 119.393 119.800 -0.087 0.000 2.167 49 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 49 Q C 0.658 176.610 176.000 -0.079 0.000 0.970 49 Q CA 1.268 57.035 55.803 -0.061 0.000 0.855 49 Q CB -0.006 28.709 28.738 -0.040 0.000 0.911 49 Q HN 0.518 nan 8.270 nan 0.000 0.438 50 K N -0.070 120.190 120.400 -0.234 0.000 2.103 50 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 50 K C 2.001 178.388 176.600 -0.354 0.000 1.052 50 K CA 1.260 57.312 56.287 -0.392 0.000 0.945 50 K CB 0.016 31.952 32.500 -0.939 0.000 0.722 50 K HN 0.267 nan 8.250 nan 0.000 0.443 51 V N -2.423 117.238 119.914 -0.423 0.000 3.621 51 V HA 0.196 4.316 4.120 -0.000 0.000 0.263 51 V C 1.494 177.207 176.094 -0.635 0.000 1.272 51 V CA 0.838 62.852 62.300 -0.478 0.000 1.080 51 V CB 0.132 31.716 31.823 -0.398 0.000 0.816 51 V HN 0.301 nan 8.190 nan 0.000 0.451 52 K N 0.564 120.658 120.400 -0.510 0.000 10.883 52 K HA -0.305 4.015 4.320 -0.000 0.000 0.526 52 K C 0.136 176.623 176.600 -0.188 0.000 0.382 52 K CA 2.458 58.476 56.287 -0.448 0.000 1.943 52 K CB -1.526 30.470 32.500 -0.839 0.000 0.766 52 K HN 0.970 nan 8.250 nan 0.000 1.214 53 Y N -1.765 118.383 120.300 -0.253 0.000 2.544 53 Y HA 0.736 5.286 4.550 -0.000 0.000 0.342 53 Y C -1.245 174.609 175.900 -0.077 0.000 1.062 53 Y CA -0.715 57.299 58.100 -0.143 0.000 1.023 53 Y CB 2.056 40.451 38.460 -0.109 0.000 1.308 53 Y HN 0.048 nan 8.280 nan 0.000 0.457 54 V N 2.469 122.439 119.914 0.092 0.000 2.891 54 V HA 0.359 4.479 4.120 -0.000 0.000 0.304 54 V C -1.565 174.581 176.094 0.086 0.000 1.171 54 V CA -0.671 61.686 62.300 0.095 0.000 0.943 54 V CB 2.015 33.910 31.823 0.120 0.000 1.037 54 V HN 0.926 nan 8.190 nan 0.000 0.427 55 D N 5.759 126.223 120.400 0.106 0.000 2.339 55 D HA 0.262 4.902 4.640 -0.000 0.000 0.256 55 D C 0.873 177.255 176.300 0.137 0.000 1.214 55 D CA 0.223 54.275 54.000 0.088 0.000 0.877 55 D CB 1.799 42.623 40.800 0.039 0.000 1.111 55 D HN 0.503 nan 8.370 nan 0.000 0.478 56 L N 1.490 122.848 121.223 0.225 0.000 2.529 56 L HA 0.189 4.529 4.340 -0.000 0.000 0.223 56 L C 1.518 178.785 176.870 0.662 0.000 1.113 56 L CA 0.124 55.197 54.840 0.389 0.000 0.861 56 L CB 0.318 42.621 42.059 0.407 0.000 1.012 56 L HN 0.332 nan 8.230 nan 0.000 0.461 57 G N -0.882 108.230 108.800 0.520 0.000 3.234 57 G HA2 0.420 4.380 3.960 -0.000 0.000 0.159 57 G HA3 0.420 4.380 3.960 -0.000 0.000 0.159 57 G C -0.175 174.756 174.900 0.051 0.000 1.175 57 G CA -0.048 45.191 45.100 0.231 0.000 0.900 57 G HN 0.080 nan 8.290 nan 0.000 0.621 58 G N -0.692 108.067 108.800 -0.069 0.000 2.321 58 G HA2 0.363 4.323 3.960 -0.000 0.000 0.237 58 G HA3 0.363 4.323 3.960 -0.000 0.000 0.237 58 G C 0.526 175.400 174.900 -0.043 0.000 1.282 58 G CA 0.955 46.017 45.100 -0.063 0.000 0.886 58 G HN 0.855 nan 8.290 nan 0.000 0.528 59 S N 1.275 116.893 115.700 -0.137 0.000 3.330 59 S HA 0.188 4.658 4.470 -0.000 0.000 0.259 59 S C 0.054 174.410 174.600 -0.407 0.000 1.095 59 S CA -0.318 57.698 58.200 -0.307 0.000 0.841 59 S CB 0.007 62.856 63.200 -0.586 0.000 0.890 59 S HN 0.495 nan 8.310 nan 0.000 0.446 60 Y N 2.840 123.096 120.300 -0.073 0.000 2.304 60 Y HA 0.549 5.099 4.550 -0.000 0.000 0.328 60 Y C 0.250 176.024 175.900 -0.209 0.000 1.123 60 Y CA -0.477 57.533 58.100 -0.150 0.000 1.218 60 Y CB 1.218 39.631 38.460 -0.078 0.000 1.207 60 Y HN 0.123 nan 8.280 nan 0.000 0.495 61 V N -0.198 119.602 119.914 -0.190 0.000 3.040 61 V HA 1.102 5.222 4.120 -0.000 0.000 0.312 61 V C -0.334 175.577 176.094 -0.305 0.000 1.115 61 V CA -0.530 61.584 62.300 -0.311 0.000 0.998 61 V CB 1.686 33.256 31.823 -0.422 0.000 1.042 61 V HN 0.937 nan 8.190 nan 0.000 0.433 62 G N 0.624 109.203 108.800 -0.368 0.000 2.663 62 G HA2 0.741 4.701 3.960 -0.000 0.000 0.299 62 G HA3 0.741 4.701 3.960 -0.000 0.000 0.299 62 G C -3.410 171.336 174.900 -0.256 0.000 1.372 62 G CA -1.189 43.744 45.100 -0.279 0.000 0.781 62 G HN 0.727 nan 8.290 nan 0.000 0.491 63 P HA 0.115 nan 4.420 nan 0.000 0.267 63 P C 0.793 178.077 177.300 -0.027 0.000 1.200 63 P CA 1.919 64.975 63.100 -0.072 0.000 0.772 63 P CB 0.865 32.548 31.700 -0.027 0.000 0.855 64 T N -1.812 112.756 114.554 0.023 0.000 7.679 64 T HA -0.268 4.082 4.350 -0.000 0.000 0.300 64 T C 0.316 175.026 174.700 0.016 0.000 2.098 64 T CA 1.164 63.344 62.100 0.134 0.000 3.313 64 T CB -2.695 66.375 68.868 0.336 0.000 1.898 64 T HN 0.602 nan 8.240 nan 0.000 1.144 65 Q N 1.295 120.947 119.800 -0.247 0.000 3.207 65 Q HA 0.360 4.700 4.340 -0.000 0.000 0.335 65 Q C 0.938 176.835 176.000 -0.172 0.000 1.374 65 Q CA -0.452 55.106 55.803 -0.409 0.000 1.023 65 Q CB 0.179 28.493 28.738 -0.707 0.000 1.576 65 Q HN 0.507 nan 8.270 nan 0.000 0.515 66 N N 0.735 119.399 118.700 -0.060 0.000 2.331 66 N HA -0.069 4.671 4.740 -0.000 0.000 0.180 66 N C 1.224 176.737 175.510 0.005 0.000 1.019 66 N CA 0.805 53.849 53.050 -0.010 0.000 0.881 66 N CB 0.273 38.778 38.487 0.030 0.000 0.972 66 N HN 0.373 nan 8.380 nan 0.000 0.435 67 R N 0.453 120.958 120.500 0.008 0.000 2.062 67 R HA 0.020 4.360 4.340 -0.000 0.000 0.229 67 R C 2.035 178.345 176.300 0.018 0.000 1.128 67 R CA 0.673 56.787 56.100 0.023 0.000 0.960 67 R CB -0.296 30.029 30.300 0.041 0.000 0.855 67 R HN 0.085 nan 8.270 nan 0.000 0.432 68 I N 1.152 121.728 120.570 0.010 0.000 2.315 68 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 68 I C 1.758 177.935 176.117 0.101 0.000 1.117 68 I CA 1.371 62.700 61.300 0.049 0.000 1.404 68 I CB -0.054 37.984 38.000 0.063 0.000 1.071 68 I HN 0.097 nan 8.210 nan 0.000 0.419 69 L N 0.197 121.466 121.223 0.076 0.000 2.056 69 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 69 L C 2.742 179.653 176.870 0.069 0.000 1.078 69 L CA 1.297 56.198 54.840 0.102 0.000 0.749 69 L CB -0.829 41.248 42.059 0.030 0.000 0.901 69 L HN 0.257 nan 8.230 nan 0.000 0.433 70 R N 0.758 121.280 120.500 0.036 0.000 2.073 70 R HA -0.168 4.172 4.340 -0.000 0.000 0.229 70 R C 2.299 178.604 176.300 0.008 0.000 1.120 70 R CA 1.545 57.658 56.100 0.022 0.000 0.967 70 R CB -0.595 29.716 30.300 0.019 0.000 0.862 70 R HN 0.254 nan 8.270 nan 0.000 0.436 71 L N 1.240 122.464 121.223 0.001 0.000 2.017 71 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 71 L C 2.414 179.249 176.870 -0.060 0.000 1.073 71 L CA 2.341 57.167 54.840 -0.024 0.000 0.745 71 L CB -0.833 41.211 42.059 -0.025 0.000 0.894 71 L HN 0.236 nan 8.230 nan 0.000 0.432 72 A N -0.679 122.092 122.820 -0.081 0.000 1.902 72 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 72 A C 2.468 180.000 177.584 -0.087 0.000 1.181 72 A CA 1.947 53.875 52.037 -0.182 0.000 0.623 72 A CB -0.661 18.141 19.000 -0.330 0.000 0.818 72 A HN 0.503 nan 8.150 nan 0.000 0.443 73 K N -0.388 120.007 120.400 -0.008 0.000 2.063 73 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 73 K C 2.090 178.683 176.600 -0.012 0.000 1.048 73 K CA 1.765 58.056 56.287 0.007 0.000 0.928 73 K CB -0.184 32.332 32.500 0.027 0.000 0.713 73 K HN 0.642 nan 8.250 nan 0.000 0.442 74 E N 0.470 120.660 120.200 -0.017 0.000 2.118 74 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 74 E C 1.715 178.296 176.600 -0.031 0.000 0.992 74 E CA 0.940 57.329 56.400 -0.018 0.000 0.804 74 E CB 0.013 29.704 29.700 -0.014 0.000 0.741 74 E HN 0.339 nan 8.360 nan 0.000 0.458 75 L N -0.662 120.529 121.223 -0.053 0.000 2.610 75 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 75 L C 1.322 178.153 176.870 -0.065 0.000 1.149 75 L CA 0.462 55.262 54.840 -0.068 0.000 0.872 75 L CB 0.066 42.063 42.059 -0.103 0.000 0.992 75 L HN 0.368 nan 8.230 nan 0.000 0.447 76 G N 0.461 109.232 108.800 -0.049 0.000 2.142 76 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.225 76 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.225 76 G C -0.039 174.838 174.900 -0.038 0.000 1.015 76 G CA -0.334 44.745 45.100 -0.035 0.000 0.716 76 G HN 0.201 nan 8.290 nan 0.000 0.508 77 L N -0.342 120.850 121.223 -0.052 0.000 2.360 77 L HA 0.750 5.090 4.340 -0.000 0.000 0.271 77 L C 0.575 177.486 176.870 0.068 0.000 1.057 77 L CA -0.827 53.991 54.840 -0.037 0.000 0.803 77 L CB 1.429 43.378 42.059 -0.184 0.000 1.207 77 L HN 0.154 nan 8.230 nan 0.000 0.445 78 E N 0.076 120.355 120.200 0.132 0.000 2.277 78 E HA 0.440 4.790 4.350 -0.000 0.000 0.266 78 E C -0.962 175.788 176.600 0.250 0.000 0.901 78 E CA -0.600 55.897 56.400 0.161 0.000 0.782 78 E CB 2.525 32.293 29.700 0.114 0.000 1.228 78 E HN 0.668 nan 8.360 nan 0.000 0.424 79 T N -0.922 113.728 114.554 0.161 0.000 2.945 79 T HA 0.608 4.958 4.350 -0.000 0.000 0.286 79 T C -0.690 174.087 174.700 0.128 0.000 1.025 79 T CA -0.666 61.463 62.100 0.047 0.000 1.039 79 T CB 0.710 69.486 68.868 -0.154 0.000 1.068 79 T HN 0.493 nan 8.240 nan 0.000 0.497 80 Y N -1.179 119.113 120.300 -0.012 0.000 2.605 80 Y HA 0.731 5.281 4.550 0.000 0.000 0.343 80 Y C -0.638 175.259 175.900 -0.005 0.000 1.036 80 Y CA -1.555 56.549 58.100 0.008 0.000 1.065 80 Y CB 1.440 39.924 38.460 0.041 0.000 1.288 80 Y HN 0.605 nan 8.280 nan 0.000 0.481 81 K N 2.158 122.617 120.400 0.099 0.000 2.258 81 K HA 0.405 4.725 4.320 -0.000 0.000 0.284 81 K C -0.861 175.769 176.600 0.050 0.000 1.051 81 K CA -0.727 55.562 56.287 0.003 0.000 0.923 81 K CB 1.583 34.110 32.500 0.045 0.000 1.046 81 K HN 0.594 nan 8.250 nan 0.000 0.474 82 V N 3.450 123.334 119.914 -0.050 0.000 2.617 82 V HA -0.120 4.000 4.120 -0.000 0.000 0.304 82 V C 0.599 176.727 176.094 0.057 0.000 1.040 82 V CA -0.066 62.254 62.300 0.033 0.000 1.149 82 V CB 0.198 32.023 31.823 0.004 0.000 0.914 82 V HN 0.728 nan 8.190 nan 0.000 0.487 83 N N 4.078 122.838 118.700 0.099 0.000 2.434 83 N HA 0.011 4.750 4.740 -0.000 0.000 0.268 83 N C 0.280 175.807 175.510 0.028 0.000 1.256 83 N CA 0.515 53.614 53.050 0.080 0.000 0.914 83 N CB 0.234 38.795 38.487 0.123 0.000 1.088 83 N HN 0.819 nan 8.380 nan 0.000 0.478 84 E N 2.983 123.190 120.200 0.012 0.000 3.191 84 E HA 0.104 4.454 4.350 -0.000 0.000 0.192 84 E C 0.315 176.909 176.600 -0.009 0.000 0.972 84 E CA -0.057 56.331 56.400 -0.019 0.000 1.266 84 E CB 0.277 29.951 29.700 -0.043 0.000 1.076 84 E HN 0.445 nan 8.360 nan 0.000 0.462 85 V N 0.492 120.413 119.914 0.012 0.000 2.307 85 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 85 V C 0.967 177.066 176.094 0.008 0.000 1.045 85 V CA 1.617 63.923 62.300 0.011 0.000 1.024 85 V CB -0.128 31.705 31.823 0.017 0.000 0.651 85 V HN 0.254 nan 8.190 nan 0.000 0.449 86 E N -0.726 119.486 120.200 0.020 0.000 3.099 86 E HA 0.398 4.748 4.350 -0.000 0.000 0.259 86 E C 0.201 176.811 176.600 0.017 0.000 1.274 86 E CA -0.643 55.775 56.400 0.029 0.000 1.111 86 E CB 0.252 29.985 29.700 0.055 0.000 1.327 86 E HN 0.299 nan 8.360 nan 0.000 0.652 87 R N 0.201 120.735 120.500 0.057 0.000 2.539 87 R HA 0.284 4.624 4.340 -0.000 0.000 0.275 87 R C -0.510 175.750 176.300 -0.068 0.000 1.077 87 R CA -0.556 55.554 56.100 0.016 0.000 1.097 87 R CB 0.144 30.521 30.300 0.129 0.000 1.018 87 R HN 0.178 nan 8.270 nan 0.000 0.483 88 L N 2.664 123.678 121.223 -0.348 0.000 2.439 88 L HA 0.360 4.700 4.340 -0.000 0.000 0.261 88 L C 0.176 176.836 176.870 -0.350 0.000 1.153 88 L CA 0.233 54.764 54.840 -0.514 0.000 0.808 88 L CB 0.526 41.955 42.059 -1.050 0.000 1.126 88 L HN 0.461 nan 8.230 nan 0.000 0.460 89 I N 0.520 121.016 120.570 -0.124 0.000 2.465 89 I HA 0.264 4.433 4.170 -0.000 0.000 0.291 89 I C -0.531 175.865 176.117 0.465 0.000 1.014 89 I CA -0.485 60.889 61.300 0.122 0.000 1.093 89 I CB 1.467 39.392 38.000 -0.124 0.000 1.267 89 I HN 0.540 nan 8.210 nan 0.000 0.431 90 H N 5.398 124.784 119.070 0.526 0.000 2.581 90 H HA 0.300 4.856 4.556 -0.000 0.000 0.308 90 H C -1.219 174.346 175.328 0.395 0.000 1.040 90 H CA -0.709 55.599 56.048 0.434 0.000 1.231 90 H CB 0.787 30.722 29.762 0.288 0.000 1.396 90 H HN 0.593 nan 8.280 nan 0.000 0.467 91 H N 4.312 123.523 119.070 0.234 0.000 2.556 91 H HA 0.398 4.954 4.556 -0.000 0.000 0.310 91 H C -1.417 173.911 175.328 -0.001 0.000 1.057 91 H CA -0.397 55.710 56.048 0.099 0.000 1.264 91 H CB 0.854 30.675 29.762 0.099 0.000 1.404 91 H HN 0.333 nan 8.280 nan 0.000 0.462 92 V N 6.121 125.875 119.914 -0.267 0.000 2.733 92 V HA 0.217 4.337 4.120 -0.000 0.000 0.306 92 V C -0.641 175.379 176.094 -0.124 0.000 1.084 92 V CA -0.900 61.294 62.300 -0.177 0.000 0.905 92 V CB 1.381 33.017 31.823 -0.311 0.000 1.010 92 V HN 1.044 nan 8.190 nan 0.000 0.424 93 K N 4.833 125.198 120.400 -0.058 0.000 3.278 93 K HA -0.216 4.104 4.320 -0.000 0.000 0.270 93 K C 0.897 177.455 176.600 -0.070 0.000 0.955 93 K CA 0.852 57.125 56.287 -0.025 0.000 0.723 93 K CB -1.356 31.149 32.500 0.009 0.000 1.382 93 K HN 1.823 nan 8.250 nan 0.000 0.461 94 G N 0.046 108.767 108.800 -0.132 0.000 2.153 94 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.252 94 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.252 94 G C -0.135 174.629 174.900 -0.226 0.000 0.994 94 G CA 0.935 46.002 45.100 -0.055 0.000 0.698 94 G HN 0.444 nan 8.290 nan 0.000 0.521 95 K N -0.127 119.921 120.400 -0.585 0.000 2.498 95 K HA 0.606 4.926 4.320 -0.000 0.000 0.254 95 K C -0.596 175.648 176.600 -0.593 0.000 0.933 95 K CA -0.541 55.473 56.287 -0.454 0.000 0.806 95 K CB 1.404 33.695 32.500 -0.347 0.000 1.301 95 K HN 0.049 nan 8.250 nan 0.000 0.432 96 S N 2.334 117.836 115.700 -0.331 0.000 2.480 96 S HA 0.406 4.876 4.470 -0.000 0.000 0.286 96 S C -1.437 172.967 174.600 -0.327 0.000 1.180 96 S CA -0.390 57.739 58.200 -0.120 0.000 1.075 96 S CB 0.271 63.515 63.200 0.073 0.000 0.996 96 S HN 0.390 nan 8.310 nan 0.000 0.487 97 Y N 2.744 123.135 120.300 0.151 0.000 2.376 97 Y HA 0.366 4.916 4.550 -0.000 0.000 0.326 97 Y C -2.497 173.603 175.900 0.333 0.000 0.970 97 Y CA -2.507 55.723 58.100 0.216 0.000 1.248 97 Y CB 0.853 39.433 38.460 0.200 0.000 1.117 97 Y HN 0.450 nan 8.280 nan 0.000 0.476 98 P HA 0.267 nan 4.420 nan 0.000 0.275 98 P C -0.865 176.721 177.300 0.475 0.000 1.228 98 P CA -0.080 63.244 63.100 0.373 0.000 0.786 98 P CB 0.621 32.532 31.700 0.352 0.000 0.927 99 F N -0.659 119.413 119.950 0.203 0.000 2.711 99 F HA 0.718 5.245 4.527 -0.000 0.000 0.313 99 F C -1.063 174.812 175.800 0.126 0.000 1.141 99 F CA -1.328 56.775 58.000 0.172 0.000 0.941 99 F CB 1.508 40.610 39.000 0.169 0.000 1.349 99 F HN 0.033 nan 8.300 nan 0.000 0.464 100 R N 0.800 121.427 120.500 0.211 0.000 2.854 100 R HA 0.765 5.105 4.340 -0.000 0.000 0.271 100 R C -0.452 175.975 176.300 0.212 0.000 0.994 100 R CA -0.707 55.433 56.100 0.067 0.000 0.945 100 R CB 1.835 32.182 30.300 0.078 0.000 1.194 100 R HN 1.458 nan 8.270 nan 0.000 0.476 101 G N 1.591 110.452 108.800 0.102 0.000 2.707 101 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 101 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 101 G C -2.311 172.679 174.900 0.149 0.000 1.315 101 G CA -1.025 44.151 45.100 0.127 0.000 0.832 101 G HN 0.436 nan 8.290 nan 0.000 0.573 102 P HA 0.153 nan 4.420 nan 0.000 0.217 102 P C 0.595 177.737 177.300 -0.263 0.000 1.151 102 P CA 1.002 63.981 63.100 -0.202 0.000 0.828 102 P CB 0.112 31.525 31.700 -0.479 0.000 0.788 103 F N 0.145 120.070 119.950 -0.041 0.000 2.420 103 F HA 0.381 4.908 4.527 -0.000 0.000 0.342 103 F C -2.009 173.597 175.800 -0.323 0.000 1.113 103 F CA -2.931 54.939 58.000 -0.217 0.000 1.059 103 F CB 0.560 39.336 39.000 -0.374 0.000 1.128 103 F HN -0.287 nan 8.300 nan 0.000 0.475 104 P HA 0.098 nan 4.420 nan 0.000 0.267 104 P C -2.381 174.620 177.300 -0.498 0.000 1.209 104 P CA -0.840 61.599 63.100 -1.101 0.000 0.763 104 P CB -0.082 31.024 31.700 -0.989 0.000 0.816 105 P HA 0.222 nan 4.420 nan 0.000 0.276 105 P C -0.963 176.145 177.300 -0.319 0.000 1.261 105 P CA -0.153 62.768 63.100 -0.298 0.000 0.800 105 P CB 0.814 32.366 31.700 -0.248 0.000 1.066 106 V N 0.163 119.849 119.914 -0.379 0.000 2.733 106 V HA 0.206 4.326 4.120 -0.000 0.000 0.306 106 V C -0.084 175.829 176.094 -0.301 0.000 1.084 106 V CA -0.235 61.881 62.300 -0.307 0.000 0.905 106 V CB 1.954 33.543 31.823 -0.391 0.000 1.010 106 V HN 0.691 nan 8.190 nan 0.000 0.424 107 W N 0.680 121.963 121.300 -0.029 0.000 2.699 107 W HA 0.220 4.880 4.660 -0.000 0.000 0.265 107 W C 1.366 177.879 176.519 -0.011 0.000 1.210 107 W CA -0.067 57.268 57.345 -0.016 0.000 1.414 107 W CB 0.331 29.773 29.460 -0.028 0.000 1.043 107 W HN 0.531 nan 8.180 nan 0.000 0.599 108 N N 2.221 121.037 118.700 0.192 0.000 2.411 108 N HA -0.052 4.688 4.740 -0.000 0.000 0.261 108 N C -1.785 173.792 175.510 0.112 0.000 1.248 108 N CA -0.290 52.834 53.050 0.123 0.000 0.885 108 N CB 1.381 39.919 38.487 0.086 0.000 1.062 108 N HN -0.121 nan 8.380 nan 0.000 0.471 109 P HA -0.083 nan 4.420 nan 0.000 0.216 109 P C 1.562 178.925 177.300 0.105 0.000 1.153 109 P CA 0.684 63.829 63.100 0.074 0.000 0.848 109 P CB 0.356 32.078 31.700 0.036 0.000 0.787 110 I N -0.589 120.030 120.570 0.081 0.000 2.202 110 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 110 I C 1.965 178.140 176.117 0.096 0.000 1.091 110 I CA 1.842 63.184 61.300 0.070 0.000 1.368 110 I CB -2.017 36.018 38.000 0.057 0.000 1.058 110 I HN 0.016 nan 8.210 nan 0.000 0.410 111 T N 0.361 114.980 114.554 0.108 0.000 2.788 111 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 111 T C 1.880 176.656 174.700 0.127 0.000 1.044 111 T CA 1.410 63.589 62.100 0.130 0.000 1.139 111 T CB -0.610 68.305 68.868 0.078 0.000 0.867 111 T HN 0.287 nan 8.240 nan 0.000 0.454 112 Y N 1.795 122.080 120.300 -0.026 0.000 2.128 112 Y HA -0.134 4.416 4.550 -0.000 0.000 0.284 112 Y C 2.057 177.960 175.900 0.005 0.000 1.154 112 Y CA 1.223 59.289 58.100 -0.057 0.000 1.149 112 Y CB -0.487 37.918 38.460 -0.092 0.000 0.976 112 Y HN 0.115 nan 8.280 nan 0.000 0.505 113 L N -0.285 121.039 121.223 0.168 0.000 2.046 113 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 113 L C 2.180 179.048 176.870 -0.004 0.000 1.077 113 L CA 1.797 56.680 54.840 0.071 0.000 0.747 113 L CB -0.643 41.448 42.059 0.054 0.000 0.896 113 L HN 0.225 nan 8.230 nan 0.000 0.432 114 D N -0.941 119.482 120.400 0.038 0.000 2.117 114 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 114 D C 2.191 178.494 176.300 0.006 0.000 0.982 114 D CA 1.222 55.245 54.000 0.039 0.000 0.828 114 D CB 0.054 40.909 40.800 0.092 0.000 0.967 114 D HN 0.305 nan 8.370 nan 0.000 0.464 115 H N -0.300 118.703 119.070 -0.110 0.000 2.321 115 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 115 H C 2.124 177.389 175.328 -0.104 0.000 1.087 115 H CA 1.152 57.129 56.048 -0.118 0.000 1.319 115 H CB -0.110 29.579 29.762 -0.121 0.000 1.379 115 H HN 0.277 nan 8.280 nan 0.000 0.501 116 N N 1.069 119.696 118.700 -0.122 0.000 2.120 116 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 116 N C 1.793 177.238 175.510 -0.109 0.000 1.024 116 N CA 0.787 53.724 53.050 -0.189 0.000 0.852 116 N CB -0.158 38.142 38.487 -0.311 0.000 1.003 116 N HN 0.406 nan 8.380 nan 0.000 0.424 117 N N -0.080 118.568 118.700 -0.086 0.000 2.270 117 N HA -0.159 4.581 4.740 -0.000 0.000 0.181 117 N C 1.855 177.310 175.510 -0.092 0.000 1.016 117 N CA 0.542 53.544 53.050 -0.080 0.000 0.870 117 N CB -0.226 38.228 38.487 -0.054 0.000 0.979 117 N HN 0.219 nan 8.380 nan 0.000 0.431 118 F N 0.807 120.606 119.950 -0.251 0.000 2.051 118 F HA -0.112 4.415 4.527 -0.000 0.000 0.296 118 F C 1.768 177.354 175.800 -0.356 0.000 1.122 118 F CA 1.610 59.389 58.000 -0.369 0.000 1.201 118 F CB -0.963 37.677 39.000 -0.600 0.000 0.978 118 F HN 0.042 nan 8.300 nan 0.000 0.472 119 W N 0.725 121.672 121.300 -0.588 0.000 2.335 119 W HA -0.147 4.513 4.660 -0.000 0.000 0.311 119 W C 2.866 179.088 176.519 -0.495 0.000 1.213 119 W CA 1.618 58.556 57.345 -0.677 0.000 1.274 119 W CB -0.698 28.445 29.460 -0.529 0.000 1.148 119 W HN -0.043 nan 8.180 nan 0.000 0.498 120 R N 0.111 120.519 120.500 -0.153 0.000 2.091 120 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 120 R C 1.955 178.149 176.300 -0.176 0.000 1.136 120 R CA 2.219 58.224 56.100 -0.158 0.000 0.959 120 R CB -0.687 29.524 30.300 -0.149 0.000 0.856 120 R HN 0.059 nan 8.270 nan 0.000 0.437 121 T N 1.324 115.753 114.554 -0.208 0.000 2.746 121 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 121 T C 1.849 176.411 174.700 -0.229 0.000 1.039 121 T CA 1.381 63.368 62.100 -0.188 0.000 1.142 121 T CB -0.073 68.702 68.868 -0.155 0.000 0.866 121 T HN 0.159 nan 8.240 nan 0.000 0.444 122 M N 1.734 121.134 119.600 -0.334 0.000 2.082 122 M HA -0.133 4.347 4.480 -0.000 0.000 0.258 122 M C 1.824 178.017 176.300 -0.178 0.000 1.069 122 M CA 1.595 56.730 55.300 -0.275 0.000 1.102 122 M CB -1.178 31.214 32.600 -0.346 0.000 1.336 122 M HN 0.193 nan 8.290 nan 0.000 0.404 123 D N 0.233 120.539 120.400 -0.158 0.000 2.149 123 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 123 D C 1.625 177.864 176.300 -0.101 0.000 0.972 123 D CA 0.944 54.872 54.000 -0.121 0.000 0.835 123 D CB -0.318 40.417 40.800 -0.108 0.000 0.966 123 D HN 0.289 nan 8.370 nan 0.000 0.476 124 D N 0.298 120.637 120.400 -0.101 0.000 2.104 124 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 124 D C 2.166 178.457 176.300 -0.015 0.000 0.994 124 D CA 0.821 54.784 54.000 -0.061 0.000 0.830 124 D CB -0.216 40.546 40.800 -0.062 0.000 0.959 124 D HN 0.232 nan 8.370 nan 0.000 0.452 125 M N 0.006 119.570 119.600 -0.060 0.000 2.175 125 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 125 M C 2.306 178.648 176.300 0.070 0.000 1.063 125 M CA 1.523 56.801 55.300 -0.037 0.000 1.119 125 M CB -0.354 31.976 32.600 -0.450 0.000 1.377 125 M HN 0.026 nan 8.290 nan 0.000 0.415 126 G N 0.115 108.898 108.800 -0.028 0.000 2.450 126 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 126 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 126 G C 1.632 176.528 174.900 -0.005 0.000 1.130 126 G CA 0.630 45.715 45.100 -0.025 0.000 0.760 126 G HN 0.389 nan 8.290 nan 0.000 0.557 127 R N 0.123 120.618 120.500 -0.008 0.000 2.241 127 R HA -0.007 4.333 4.340 -0.000 0.000 0.224 127 R C 1.681 177.984 176.300 0.006 0.000 1.101 127 R CA 0.903 56.991 56.100 -0.020 0.000 0.995 127 R CB 0.074 30.357 30.300 -0.028 0.000 0.870 127 R HN 0.305 nan 8.270 nan 0.000 0.463 128 E N 0.084 120.326 120.200 0.071 0.000 2.479 128 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 128 E C 0.017 176.639 176.600 0.036 0.000 1.049 128 E CA 0.338 56.770 56.400 0.054 0.000 0.870 128 E CB 0.470 30.224 29.700 0.090 0.000 0.944 128 E HN 0.334 nan 8.360 nan 0.000 0.492 129 I N 2.950 123.557 120.570 0.062 0.000 2.328 129 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 129 I C -2.439 173.673 176.117 -0.009 0.000 1.012 129 I CA -2.375 58.957 61.300 0.053 0.000 1.195 129 I CB 1.415 39.512 38.000 0.162 0.000 1.350 129 I HN -0.342 nan 8.210 nan 0.000 0.464 130 P HA 0.140 nan 4.420 nan 0.000 0.271 130 P C 0.515 177.771 177.300 -0.073 0.000 1.220 130 P CA 0.110 63.135 63.100 -0.126 0.000 0.768 130 P CB 1.030 32.605 31.700 -0.209 0.000 0.848 131 S N 2.192 117.864 115.700 -0.047 0.000 2.370 131 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 131 S C 1.281 175.954 174.600 0.122 0.000 1.033 131 S CA 1.917 60.159 58.200 0.070 0.000 1.011 131 S CB -0.632 62.519 63.200 -0.082 0.000 0.852 131 S HN 0.678 nan 8.310 nan 0.000 0.457 132 D N 0.449 120.785 120.400 -0.107 0.000 2.349 132 D HA 0.232 4.872 4.640 -0.000 0.000 0.215 132 D C 0.311 176.387 176.300 -0.373 0.000 1.016 132 D CA 0.453 54.347 54.000 -0.176 0.000 0.870 132 D CB 0.044 40.676 40.800 -0.280 0.000 0.917 132 D HN 0.282 nan 8.370 nan 0.000 0.524 133 A N 0.973 123.420 122.820 -0.622 0.000 3.277 133 A HA 0.379 4.699 4.320 -0.000 0.000 0.281 133 A C -2.140 174.674 177.584 -1.283 0.000 1.179 133 A CA -0.839 50.370 52.037 -1.380 0.000 0.879 133 A CB 0.998 19.465 19.000 -0.889 0.000 1.374 133 A HN -0.123 nan 8.150 nan 0.000 0.590 134 P HA -0.172 nan 4.420 nan 0.000 0.218 134 P C 1.238 178.316 177.300 -0.370 0.000 1.148 134 P CA 1.466 64.231 63.100 -0.558 0.000 0.822 134 P CB -0.315 31.028 31.700 -0.595 0.000 0.784 135 W N 0.814 122.038 121.300 -0.126 0.000 2.632 135 W HA 0.100 4.760 4.660 -0.000 0.000 0.248 135 W C 1.295 177.767 176.519 -0.077 0.000 1.259 135 W CA 0.389 57.682 57.345 -0.087 0.000 1.288 135 W CB -1.443 27.962 29.460 -0.092 0.000 1.136 135 W HN -0.090 nan 8.180 nan 0.000 0.640 136 K N 0.757 120.968 120.400 -0.316 0.000 2.374 136 K HA 0.319 4.639 4.320 -0.000 0.000 0.196 136 K C 1.019 177.527 176.600 -0.153 0.000 1.023 136 K CA 0.141 56.324 56.287 -0.174 0.000 1.103 136 K CB 0.027 32.388 32.500 -0.232 0.000 0.848 136 K HN 0.091 nan 8.250 nan 0.000 0.528 137 A N 2.365 125.090 122.820 -0.159 0.000 2.565 137 A HA 0.056 4.376 4.320 -0.000 0.000 0.237 137 A C -1.635 175.818 177.584 -0.218 0.000 1.053 137 A CA -0.922 51.015 52.037 -0.166 0.000 0.755 137 A CB 0.060 18.981 19.000 -0.132 0.000 0.980 137 A HN 0.001 nan 8.150 nan 0.000 0.506 138 P HA -0.128 nan 4.420 nan 0.000 0.216 138 P C 0.516 177.623 177.300 -0.322 0.000 1.150 138 P CA 1.237 64.196 63.100 -0.235 0.000 0.843 138 P CB 0.040 31.614 31.700 -0.209 0.000 0.787 139 L N -2.116 118.757 121.223 -0.584 0.000 2.984 139 L HA 0.359 4.699 4.340 -0.000 0.000 0.246 139 L C 1.850 178.331 176.870 -0.649 0.000 1.268 139 L CA -0.310 54.097 54.840 -0.720 0.000 1.054 139 L CB -0.528 40.858 42.059 -1.122 0.000 1.393 139 L HN -0.105 nan 8.230 nan 0.000 0.532 140 A N 0.606 123.220 122.820 -0.343 0.000 1.892 140 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 140 A C 2.203 179.787 177.584 0.000 0.000 1.188 140 A CA 1.823 53.794 52.037 -0.110 0.000 0.631 140 A CB -0.168 18.816 19.000 -0.027 0.000 0.822 140 A HN 0.525 nan 8.150 nan 0.000 0.447 141 E N -0.946 119.240 120.200 -0.024 0.000 2.047 141 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 141 E C 2.133 178.771 176.600 0.064 0.000 0.987 141 E CA 1.140 57.558 56.400 0.030 0.000 0.799 141 E CB -0.268 29.436 29.700 0.007 0.000 0.752 141 E HN 0.827 nan 8.360 nan 0.000 0.449 142 E N 0.159 120.370 120.200 0.019 0.000 2.085 142 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 142 E C 1.724 178.495 176.600 0.286 0.000 0.994 142 E CA 1.208 57.667 56.400 0.098 0.000 0.801 142 E CB 0.004 29.725 29.700 0.035 0.000 0.743 142 E HN 0.286 nan 8.360 nan 0.000 0.453 143 W N 0.833 122.176 121.300 0.071 0.000 2.476 143 W HA -0.012 4.648 4.660 -0.000 0.000 0.281 143 W C 1.912 178.502 176.519 0.119 0.000 1.230 143 W CA 0.646 58.046 57.345 0.092 0.000 1.287 143 W CB -0.914 28.601 29.460 0.092 0.000 1.108 143 W HN 0.206 nan 8.180 nan 0.000 0.567 144 D N -0.335 120.264 120.400 0.331 0.000 2.277 144 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 144 D C 1.120 177.545 176.300 0.208 0.000 0.962 144 D CA 0.918 55.075 54.000 0.263 0.000 0.865 144 D CB -0.202 40.730 40.800 0.219 0.000 0.939 144 D HN -0.122 nan 8.370 nan 0.000 0.510 145 N N -0.087 118.720 118.700 0.178 0.000 2.313 145 N HA 0.102 4.842 4.740 -0.000 0.000 0.207 145 N C -0.368 175.219 175.510 0.129 0.000 1.141 145 N CA 0.085 53.216 53.050 0.135 0.000 0.830 145 N CB 0.301 38.851 38.487 0.105 0.000 1.008 145 N HN 0.313 nan 8.380 nan 0.000 0.481 146 M N 0.461 120.153 119.600 0.153 0.000 2.386 146 M HA 0.203 4.683 4.480 -0.000 0.000 0.293 146 M C -0.485 175.892 176.300 0.128 0.000 1.120 146 M CA -0.541 54.836 55.300 0.129 0.000 0.909 146 M CB 1.828 34.516 32.600 0.146 0.000 1.661 146 M HN 0.042 nan 8.290 nan 0.000 0.452 147 T N 1.049 115.660 114.554 0.094 0.000 2.849 147 T HA 0.228 4.578 4.350 -0.000 0.000 0.284 147 T C 1.123 175.853 174.700 0.050 0.000 1.004 147 T CA -0.798 61.351 62.100 0.083 0.000 1.021 147 T CB 0.842 69.750 68.868 0.066 0.000 1.013 147 T HN 0.740 nan 8.240 nan 0.000 0.527 148 M N 0.333 119.944 119.600 0.017 0.000 2.279 148 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 148 M C 2.134 178.393 176.300 -0.068 0.000 1.062 148 M CA 1.534 56.805 55.300 -0.049 0.000 1.099 148 M CB -1.387 31.101 32.600 -0.187 0.000 1.394 148 M HN 0.900 nan 8.290 nan 0.000 0.426 149 K N 0.749 121.119 120.400 -0.051 0.000 2.057 149 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 149 K C 1.661 178.239 176.600 -0.037 0.000 1.049 149 K CA 1.615 57.876 56.287 -0.042 0.000 0.931 149 K CB -0.037 32.469 32.500 0.010 0.000 0.714 149 K HN 0.376 nan 8.250 nan 0.000 0.440 150 E N 0.313 120.505 120.200 -0.013 0.000 2.051 150 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 150 E C 2.001 178.587 176.600 -0.023 0.000 0.991 150 E CA 1.246 57.638 56.400 -0.013 0.000 0.799 150 E CB -0.225 29.483 29.700 0.014 0.000 0.748 150 E HN 0.222 nan 8.360 nan 0.000 0.449 151 L N 1.217 122.430 121.223 -0.018 0.000 2.012 151 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 151 L C 2.081 178.931 176.870 -0.034 0.000 1.073 151 L CA 1.601 56.425 54.840 -0.027 0.000 0.748 151 L CB -0.366 41.672 42.059 -0.035 0.000 0.891 151 L HN 0.129 nan 8.230 nan 0.000 0.431 152 L N -0.903 120.287 121.223 -0.055 0.000 2.093 152 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 152 L C 2.183 178.983 176.870 -0.118 0.000 1.085 152 L CA 1.165 55.946 54.840 -0.099 0.000 0.755 152 L CB -0.871 41.095 42.059 -0.154 0.000 0.904 152 L HN 0.286 nan 8.230 nan 0.000 0.435 153 D N 0.387 120.724 120.400 -0.105 0.000 2.178 153 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 153 D C 2.173 178.380 176.300 -0.155 0.000 0.980 153 D CA 1.233 55.157 54.000 -0.128 0.000 0.842 153 D CB 0.067 40.805 40.800 -0.104 0.000 0.948 153 D HN 0.279 nan 8.370 nan 0.000 0.472 154 K N -0.355 119.982 120.400 -0.104 0.000 2.186 154 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 154 K C 1.827 178.401 176.600 -0.044 0.000 1.052 154 K CA 0.176 56.409 56.287 -0.090 0.000 0.965 154 K CB 0.156 32.641 32.500 -0.026 0.000 0.746 154 K HN -0.005 nan 8.250 nan 0.000 0.457 155 L N 0.413 121.633 121.223 -0.006 0.000 2.168 155 L HA 0.081 4.421 4.340 -0.000 0.000 0.203 155 L C 0.006 176.961 176.870 0.142 0.000 1.078 155 L CA 1.015 55.908 54.840 0.088 0.000 0.780 155 L CB 0.298 42.403 42.059 0.076 0.000 0.939 155 L HN 0.022 nan 8.230 nan 0.000 0.451 156 C N 0.119 119.419 119.300 0.000 0.000 2.281 156 C HA 0.162 4.622 4.460 -0.000 0.000 0.336 156 C C 0.784 175.780 174.990 0.011 0.000 1.217 156 C CA -0.797 58.211 59.018 -0.017 0.000 1.730 156 C CB -1.309 26.315 27.740 -0.192 0.000 2.338 156 C HN 0.614 nan 8.230 nan 0.000 0.521 157 W N 1.896 123.152 121.300 -0.072 0.000 3.139 157 W HA 0.112 4.772 4.660 -0.000 0.000 0.260 157 W C 1.424 177.920 176.519 -0.038 0.000 1.312 157 W CA 0.160 57.478 57.345 -0.044 0.000 1.606 157 W CB -0.165 29.281 29.460 -0.024 0.000 1.118 157 W HN 0.668 nan 8.180 nan 0.000 0.675 158 T N -3.524 111.103 114.554 0.122 0.000 2.885 158 T HA 0.297 4.647 4.350 -0.000 0.000 0.285 158 T C 0.829 175.525 174.700 -0.007 0.000 1.019 158 T CA -0.653 61.488 62.100 0.068 0.000 1.010 158 T CB 2.596 71.525 68.868 0.102 0.000 1.022 158 T HN -0.240 nan 8.240 nan 0.000 0.466 159 E N 1.028 121.227 120.200 -0.001 0.000 2.150 159 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 159 E C 2.168 178.757 176.600 -0.018 0.000 0.985 159 E CA 1.239 57.624 56.400 -0.024 0.000 0.814 159 E CB -0.407 29.288 29.700 -0.008 0.000 0.752 159 E HN 0.744 nan 8.360 nan 0.000 0.466 160 S N 0.540 116.263 115.700 0.039 0.000 2.359 160 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 160 S C 2.085 176.712 174.600 0.045 0.000 1.035 160 S CA 1.630 59.902 58.200 0.119 0.000 1.018 160 S CB -0.096 63.235 63.200 0.219 0.000 0.876 160 S HN 0.287 nan 8.310 nan 0.000 0.448 161 A N 1.193 123.918 122.820 -0.158 0.000 1.930 161 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 161 A C 2.195 179.427 177.584 -0.586 0.000 1.175 161 A CA 1.718 53.331 52.037 -0.707 0.000 0.627 161 A CB -0.686 17.926 19.000 -0.647 0.000 0.815 161 A HN 0.644 nan 8.150 nan 0.000 0.443 162 K N -0.489 119.695 120.400 -0.360 0.000 2.057 162 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 162 K C 2.251 178.701 176.600 -0.250 0.000 1.050 162 K CA 1.580 57.670 56.287 -0.328 0.000 0.935 162 K CB -0.196 32.181 32.500 -0.206 0.000 0.715 162 K HN 0.632 nan 8.250 nan 0.000 0.439 163 Q N 0.379 120.093 119.800 -0.145 0.000 2.030 163 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 163 Q C 2.157 178.133 176.000 -0.040 0.000 0.986 163 Q CA 1.619 57.390 55.803 -0.053 0.000 0.843 163 Q CB -0.158 28.592 28.738 0.020 0.000 0.904 163 Q HN 0.213 nan 8.270 nan 0.000 0.420 164 L N 0.450 121.636 121.223 -0.061 0.000 2.046 164 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 164 L C 2.133 178.944 176.870 -0.099 0.000 1.077 164 L CA 1.983 56.824 54.840 0.002 0.000 0.747 164 L CB -0.786 41.310 42.059 0.061 0.000 0.896 164 L HN 0.158 nan 8.230 nan 0.000 0.432 165 A N -1.855 120.687 122.820 -0.463 0.000 1.933 165 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 165 A C 2.267 179.763 177.584 -0.146 0.000 1.175 165 A CA 2.234 53.913 52.037 -0.597 0.000 0.628 165 A CB -1.087 17.090 19.000 -1.372 0.000 0.814 165 A HN 0.489 nan 8.150 nan 0.000 0.444 166 T N 0.013 114.471 114.554 -0.160 0.000 2.737 166 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 166 T C 1.873 176.562 174.700 -0.019 0.000 1.038 166 T CA 1.350 63.389 62.100 -0.101 0.000 1.144 166 T CB -0.375 68.440 68.868 -0.088 0.000 0.866 166 T HN 0.408 nan 8.240 nan 0.000 0.434 167 L N 0.340 121.599 121.223 0.059 0.000 2.046 167 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 167 L C 2.224 179.198 176.870 0.173 0.000 1.077 167 L CA 1.518 56.435 54.840 0.128 0.000 0.747 167 L CB -0.414 41.759 42.059 0.190 0.000 0.896 167 L HN 0.221 nan 8.230 nan 0.000 0.432 168 F N -0.143 119.863 119.950 0.094 0.000 2.065 168 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 168 F C 2.090 177.996 175.800 0.177 0.000 1.112 168 F CA 2.209 60.330 58.000 0.201 0.000 1.212 168 F CB -0.774 38.433 39.000 0.345 0.000 0.975 168 F HN -0.109 nan 8.300 nan 0.000 0.476 169 V N 1.180 120.983 119.914 -0.187 0.000 2.295 169 V HA -0.363 3.757 4.120 -0.000 0.000 0.246 169 V C 2.072 178.013 176.094 -0.255 0.000 1.049 169 V CA 2.460 64.471 62.300 -0.481 0.000 1.024 169 V CB -1.137 30.287 31.823 -0.664 0.000 0.648 169 V HN 0.430 nan 8.190 nan 0.000 0.447 170 N N 0.054 118.662 118.700 -0.153 0.000 2.104 170 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 170 N C 1.746 177.207 175.510 -0.081 0.000 1.024 170 N CA 1.320 54.306 53.050 -0.107 0.000 0.853 170 N CB -0.209 38.259 38.487 -0.031 0.000 1.008 170 N HN 0.322 nan 8.380 nan 0.000 0.424 171 L N 0.770 121.977 121.223 -0.027 0.000 2.072 171 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 171 L C 2.031 178.933 176.870 0.053 0.000 1.079 171 L CA 1.367 56.211 54.840 0.005 0.000 0.752 171 L CB -0.504 41.557 42.059 0.003 0.000 0.906 171 L HN 0.225 nan 8.230 nan 0.000 0.436 172 C N -1.345 117.965 119.300 0.017 0.000 2.446 172 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 172 C C 2.186 177.283 174.990 0.179 0.000 1.275 172 C CA 0.985 60.078 59.018 0.125 0.000 1.727 172 C CB -0.610 27.134 27.740 0.007 0.000 2.010 172 C HN 0.556 nan 8.230 nan 0.000 0.486 173 V N -2.077 117.844 119.914 0.012 0.000 3.276 173 V HA 0.298 4.418 4.120 -0.000 0.000 0.319 173 V C 0.751 176.715 176.094 -0.217 0.000 1.476 173 V CA 0.740 63.005 62.300 -0.058 0.000 1.097 173 V CB -1.379 30.523 31.823 0.132 0.000 0.988 173 V HN 0.514 nan 8.190 nan 0.000 0.473 174 T N -1.326 113.016 114.554 -0.352 0.000 3.760 174 T HA -0.091 4.259 4.350 -0.000 0.000 0.366 174 T C 0.157 174.693 174.700 -0.274 0.000 0.761 174 T CA 1.311 63.188 62.100 -0.372 0.000 1.887 174 T CB -2.545 65.975 68.868 -0.580 0.000 1.811 174 T HN 2.429 nan 8.240 nan 0.000 0.749 175 A N -0.270 122.372 122.820 -0.298 0.000 2.587 175 A HA 0.713 5.033 4.320 -0.000 0.000 0.293 175 A C -0.369 176.990 177.584 -0.376 0.000 1.087 175 A CA -1.065 50.716 52.037 -0.427 0.000 0.692 175 A CB 1.232 19.742 19.000 -0.817 0.000 1.291 175 A HN 0.334 nan 8.150 nan 0.000 0.407 176 E N 0.656 120.593 120.200 -0.439 0.000 2.390 176 E HA 0.206 4.556 4.350 -0.000 0.000 0.261 176 E C 1.302 177.586 176.600 -0.527 0.000 1.076 176 E CA 0.595 56.696 56.400 -0.498 0.000 0.905 176 E CB 0.766 29.974 29.700 -0.820 0.000 0.984 176 E HN 0.805 nan 8.360 nan 0.000 0.427 177 T N -1.136 113.178 114.554 -0.400 0.000 2.803 177 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 177 T C 1.461 176.030 174.700 -0.217 0.000 1.052 177 T CA 1.755 63.678 62.100 -0.294 0.000 1.136 177 T CB -0.414 68.332 68.868 -0.203 0.000 0.864 177 T HN 0.640 nan 8.240 nan 0.000 0.467 178 H N 0.647 119.650 119.070 -0.113 0.000 2.547 178 H HA 0.240 4.796 4.556 -0.000 0.000 0.272 178 H C 1.463 176.755 175.328 -0.060 0.000 0.989 178 H CA 0.858 56.861 56.048 -0.076 0.000 1.214 178 H CB -0.194 29.524 29.762 -0.073 0.000 1.389 178 H HN 0.500 nan 8.280 nan 0.000 0.577 179 E N 1.359 121.388 120.200 -0.284 0.000 2.318 179 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 179 E C 0.695 177.253 176.600 -0.070 0.000 0.998 179 E CA 0.341 56.644 56.400 -0.161 0.000 0.859 179 E CB 0.895 30.358 29.700 -0.394 0.000 0.812 179 E HN 0.362 nan 8.360 nan 0.000 0.492 180 V N -1.156 118.710 119.914 -0.081 0.000 2.628 180 V HA 0.432 4.552 4.120 -0.000 0.000 0.306 180 V C -0.028 176.188 176.094 0.204 0.000 1.045 180 V CA -1.178 61.174 62.300 0.086 0.000 0.905 180 V CB 1.865 33.767 31.823 0.132 0.000 0.997 180 V HN -0.040 nan 8.190 nan 0.000 0.436 181 S N 3.354 119.249 115.700 0.326 0.000 2.549 181 S HA 0.443 4.913 4.470 -0.000 0.000 0.286 181 S C 1.451 176.293 174.600 0.404 0.000 1.314 181 S CA 0.210 58.621 58.200 0.352 0.000 1.062 181 S CB 0.958 64.404 63.200 0.410 0.000 0.865 181 S HN 1.763 nan 8.310 nan 0.000 0.498 182 A N 4.898 127.891 122.820 0.289 0.000 1.877 182 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 182 A C 2.029 179.793 177.584 0.300 0.000 1.186 182 A CA 1.614 53.796 52.037 0.242 0.000 0.620 182 A CB -0.945 18.127 19.000 0.120 0.000 0.822 182 A HN 0.957 nan 8.150 nan 0.000 0.443 183 L N -1.451 119.992 121.223 0.367 0.000 2.012 183 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 183 L C 2.245 179.353 176.870 0.396 0.000 1.073 183 L CA 2.585 57.671 54.840 0.410 0.000 0.748 183 L CB -0.762 41.541 42.059 0.407 0.000 0.891 183 L HN 0.660 nan 8.230 nan 0.000 0.431 184 W N -0.592 120.875 121.300 0.278 0.000 2.358 184 W HA -0.290 4.370 4.660 -0.000 0.000 0.303 184 W C 2.331 179.119 176.519 0.447 0.000 1.208 184 W CA 1.939 59.470 57.345 0.310 0.000 1.274 184 W CB -0.616 29.009 29.460 0.275 0.000 1.138 184 W HN 0.296 nan 8.180 nan 0.000 0.515 185 F N 0.599 120.631 119.950 0.138 0.000 2.186 185 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 185 F C 2.000 177.731 175.800 -0.115 0.000 1.090 185 F CA 1.923 59.813 58.000 -0.183 0.000 1.307 185 F CB -0.538 38.485 39.000 0.039 0.000 1.019 185 F HN -0.175 nan 8.300 nan 0.000 0.489 186 L N -1.330 119.910 121.223 0.029 0.000 2.093 186 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 186 L C 2.244 179.049 176.870 -0.108 0.000 1.085 186 L CA 1.408 56.208 54.840 -0.066 0.000 0.755 186 L CB -0.951 41.103 42.059 -0.009 0.000 0.904 186 L HN 0.421 nan 8.230 nan 0.000 0.435 187 W N 0.048 121.227 121.300 -0.202 0.000 2.355 187 W HA -0.307 4.353 4.660 -0.000 0.000 0.309 187 W C 2.610 178.923 176.519 -0.343 0.000 1.206 187 W CA 1.526 58.732 57.345 -0.231 0.000 1.284 187 W CB -0.604 28.745 29.460 -0.185 0.000 1.145 187 W HN 0.114 nan 8.180 nan 0.000 0.502 188 Y N 0.552 120.401 120.300 -0.752 0.000 2.165 188 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 188 Y C 2.355 177.718 175.900 -0.893 0.000 1.155 188 Y CA 2.972 60.437 58.100 -1.059 0.000 1.164 188 Y CB -0.739 37.067 38.460 -1.090 0.000 0.978 188 Y HN -0.144 nan 8.280 nan 0.000 0.513 189 V N 0.874 120.387 119.914 -0.669 0.000 2.307 189 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 189 V C 2.494 178.270 176.094 -0.530 0.000 1.045 189 V CA 2.163 64.142 62.300 -0.535 0.000 1.024 189 V CB -0.698 30.893 31.823 -0.385 0.000 0.651 189 V HN 0.306 nan 8.190 nan 0.000 0.449 190 K N 1.118 121.225 120.400 -0.488 0.000 2.063 190 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 190 K C 2.167 178.434 176.600 -0.553 0.000 1.048 190 K CA 2.426 58.457 56.287 -0.427 0.000 0.928 190 K CB -0.207 32.107 32.500 -0.310 0.000 0.713 190 K HN 0.725 nan 8.250 nan 0.000 0.442 191 Q N -0.793 118.533 119.800 -0.789 0.000 2.472 191 Q HA -0.012 4.328 4.340 -0.000 0.000 0.208 191 Q C 1.504 177.012 176.000 -0.820 0.000 0.958 191 Q CA 1.054 56.384 55.803 -0.788 0.000 0.932 191 Q CB -0.443 27.638 28.738 -1.095 0.000 1.007 191 Q HN 0.167 nan 8.270 nan 0.000 0.508 192 C N -0.004 118.674 119.300 -1.037 0.000 2.791 192 C HA 0.601 5.061 4.460 -0.000 0.000 0.270 192 C C 1.531 175.820 174.990 -1.168 0.000 1.257 192 C CA 0.164 58.209 59.018 -1.621 0.000 1.699 192 C CB -0.807 25.960 27.740 -1.622 0.000 1.904 192 C HN 0.827 nan 8.230 nan 0.000 0.603 193 G N 0.122 108.534 108.800 -0.647 0.000 2.144 193 G HA2 0.306 4.266 3.960 -0.000 0.000 0.218 193 G HA3 0.306 4.266 3.960 -0.000 0.000 0.218 193 G C 0.443 175.175 174.900 -0.281 0.000 0.988 193 G CA 0.014 44.889 45.100 -0.375 0.000 0.659 193 G HN 1.629 nan 8.290 nan 0.000 0.522 194 G N -2.139 106.476 108.800 -0.308 0.000 2.592 194 G HA2 0.337 4.297 3.960 -0.000 0.000 0.684 194 G HA3 0.337 4.297 3.960 -0.000 0.000 0.684 194 G C 0.981 175.811 174.900 -0.116 0.000 1.291 194 G CA 0.914 45.900 45.100 -0.190 0.000 0.891 194 G HN 1.796 nan 8.290 nan 0.000 0.544 195 T N -2.716 111.823 114.554 -0.026 0.000 2.708 195 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 195 T C 2.379 177.052 174.700 -0.045 0.000 1.037 195 T CA 2.908 65.044 62.100 0.059 0.000 1.146 195 T CB -0.910 68.037 68.868 0.132 0.000 0.865 195 T HN 0.971 nan 8.240 nan 0.000 0.435 196 T N 1.513 116.043 114.554 -0.040 0.000 2.652 196 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 196 T C 2.133 176.755 174.700 -0.131 0.000 1.039 196 T CA 1.712 63.738 62.100 -0.124 0.000 1.153 196 T CB -0.362 68.497 68.868 -0.016 0.000 0.863 196 T HN 0.287 nan 8.240 nan 0.000 0.428 197 R N 0.826 121.280 120.500 -0.077 0.000 2.091 197 R HA 0.095 4.435 4.340 -0.000 0.000 0.238 197 R C 2.237 178.552 176.300 0.025 0.000 1.136 197 R CA 1.253 57.336 56.100 -0.028 0.000 0.959 197 R CB -0.890 29.378 30.300 -0.052 0.000 0.856 197 R HN 0.481 nan 8.270 nan 0.000 0.437 198 I N 0.227 120.780 120.570 -0.028 0.000 2.315 198 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 198 I C 1.630 177.812 176.117 0.109 0.000 1.117 198 I CA 1.274 62.610 61.300 0.061 0.000 1.404 198 I CB 0.058 38.068 38.000 0.016 0.000 1.071 198 I HN 0.326 nan 8.210 nan 0.000 0.419 199 I N -2.751 117.828 120.570 0.015 0.000 3.603 199 I HA 0.135 4.305 4.170 -0.000 0.000 0.297 199 I C 0.831 176.876 176.117 -0.120 0.000 1.269 199 I CA 0.014 61.283 61.300 -0.052 0.000 1.361 199 I CB -0.118 37.761 38.000 -0.201 0.000 1.063 199 I HN -0.114 nan 8.210 nan 0.000 0.448 200 S N 1.344 116.971 115.700 -0.123 0.000 2.565 200 S HA 0.277 4.747 4.470 -0.000 0.000 0.274 200 S C 0.972 175.529 174.600 -0.072 0.000 1.309 200 S CA -0.287 57.839 58.200 -0.123 0.000 1.043 200 S CB 1.575 64.700 63.200 -0.125 0.000 0.939 200 S HN 0.315 nan 8.310 nan 0.000 0.504 201 T N 2.492 117.003 114.554 -0.072 0.000 2.824 201 T HA 0.004 4.354 4.350 -0.000 0.000 0.238 201 T C 0.626 175.283 174.700 -0.072 0.000 1.067 201 T CA 0.695 62.747 62.100 -0.080 0.000 1.286 201 T CB -0.395 68.426 68.868 -0.078 0.000 0.980 201 T HN 0.611 nan 8.240 nan 0.000 0.414 202 T N 3.522 118.039 114.554 -0.061 0.000 2.822 202 T HA 0.092 4.442 4.350 -0.000 0.000 0.288 202 T C 0.722 175.393 174.700 -0.048 0.000 0.991 202 T CA 0.456 62.526 62.100 -0.049 0.000 1.176 202 T CB -0.240 68.605 68.868 -0.038 0.000 0.951 202 T HN 0.539 nan 8.240 nan 0.000 0.526 203 N N 0.839 119.513 118.700 -0.042 0.000 2.782 203 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 203 N C 0.158 175.653 175.510 -0.026 0.000 1.101 203 N CA 1.449 54.480 53.050 -0.032 0.000 0.764 203 N CB -1.064 37.409 38.487 -0.024 0.000 1.122 203 N HN 0.953 nan 8.380 nan 0.000 0.561 204 G N -3.064 105.714 108.800 -0.036 0.000 3.021 204 G HA2 0.562 4.522 3.960 -0.000 0.000 0.290 204 G HA3 0.562 4.522 3.960 -0.000 0.000 0.290 204 G C 0.971 175.849 174.900 -0.037 0.000 1.291 204 G CA -0.001 45.097 45.100 -0.003 0.000 0.834 204 G HN 0.308 nan 8.290 nan 0.000 0.564 205 G N -0.884 107.929 108.800 0.021 0.000 2.462 205 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.220 205 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.220 205 G C 1.158 176.001 174.900 -0.095 0.000 1.121 205 G CA 1.044 46.080 45.100 -0.106 0.000 0.758 205 G HN 0.409 nan 8.290 nan 0.000 0.559 206 Q N -0.466 119.277 119.800 -0.094 0.000 2.189 206 Q HA 0.286 4.626 4.340 -0.000 0.000 0.221 206 Q C 1.599 177.514 176.000 -0.143 0.000 0.848 206 Q CA -0.153 55.533 55.803 -0.195 0.000 1.007 206 Q CB 0.776 29.301 28.738 -0.355 0.000 1.116 206 Q HN 0.599 nan 8.270 nan 0.000 0.481 207 E N 0.553 120.686 120.200 -0.110 0.000 2.077 207 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 207 E C -0.027 176.502 176.600 -0.118 0.000 0.989 207 E CA 0.857 57.195 56.400 -0.103 0.000 0.800 207 E CB 0.426 30.064 29.700 -0.102 0.000 0.746 207 E HN 0.156 nan 8.360 nan 0.000 0.452 208 R N -0.774 119.634 120.500 -0.152 0.000 2.808 208 R HA 0.411 4.750 4.340 -0.000 0.000 0.272 208 R C -0.940 175.148 176.300 -0.354 0.000 0.995 208 R CA -0.747 55.182 56.100 -0.284 0.000 0.917 208 R CB 1.994 32.105 30.300 -0.316 0.000 1.217 208 R HN -0.144 nan 8.270 nan 0.000 0.471 209 K N 1.025 121.050 120.400 -0.626 0.000 2.395 209 K HA 0.423 4.743 4.320 -0.000 0.000 0.245 209 K C -0.919 175.346 176.600 -0.559 0.000 1.017 209 K CA -0.810 55.109 56.287 -0.614 0.000 0.852 209 K CB 1.506 33.721 32.500 -0.475 0.000 1.311 209 K HN 0.237 nan 8.250 nan 0.000 0.452 210 F N 1.017 120.905 119.950 -0.104 0.000 2.410 210 F HA 0.117 4.643 4.527 -0.000 0.000 0.348 210 F C 0.652 176.513 175.800 0.101 0.000 1.106 210 F CA -1.004 56.987 58.000 -0.015 0.000 1.163 210 F CB 1.012 39.979 39.000 -0.056 0.000 1.129 210 F HN 0.022 nan 8.300 nan 0.000 0.516 211 V N 3.860 123.982 119.914 0.346 0.000 2.493 211 V HA 0.203 4.323 4.120 -0.000 0.000 0.292 211 V C 0.964 176.962 176.094 -0.160 0.000 1.016 211 V CA 1.301 63.720 62.300 0.198 0.000 1.097 211 V CB 0.048 31.965 31.823 0.157 0.000 0.947 211 V HN 1.119 nan 8.190 nan 0.000 0.479 212 G N 3.330 111.649 108.800 -0.801 0.000 2.217 212 G HA2 0.139 4.099 3.960 -0.000 0.000 0.246 212 G HA3 0.139 4.099 3.960 -0.000 0.000 0.246 212 G C 0.784 175.164 174.900 -0.866 0.000 0.990 212 G CA -0.086 44.254 45.100 -1.267 0.000 0.627 212 G HN 2.420 nan 8.290 nan 0.000 0.522 213 G N -1.426 107.166 108.800 -0.345 0.000 2.617 213 G HA2 0.380 4.340 3.960 -0.000 0.000 0.686 213 G HA3 0.380 4.340 3.960 -0.000 0.000 0.686 213 G C 0.817 175.731 174.900 0.023 0.000 1.214 213 G CA 0.875 45.956 45.100 -0.031 0.000 0.796 213 G HN 1.877 nan 8.290 nan 0.000 0.654 214 S N -0.024 115.745 115.700 0.114 0.000 2.453 214 S HA 0.111 4.581 4.470 -0.000 0.000 0.231 214 S C 2.538 177.124 174.600 -0.023 0.000 1.005 214 S CA 1.704 59.967 58.200 0.104 0.000 0.949 214 S CB -0.116 63.207 63.200 0.206 0.000 0.774 214 S HN 2.193 nan 8.310 nan 0.000 0.510 215 G N 1.341 110.140 108.800 -0.001 0.000 2.479 215 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 215 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 215 G C 1.440 176.312 174.900 -0.047 0.000 1.115 215 G CA 0.643 45.746 45.100 0.004 0.000 0.757 215 G HN 0.656 nan 8.290 nan 0.000 0.560 216 Q N -0.201 119.537 119.800 -0.104 0.000 2.226 216 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 216 Q C 2.712 178.620 176.000 -0.154 0.000 0.975 216 Q CA 0.906 56.630 55.803 -0.132 0.000 0.866 216 Q CB -0.170 28.466 28.738 -0.170 0.000 0.915 216 Q HN 0.422 nan 8.270 nan 0.000 0.440 217 V N 0.354 120.148 119.914 -0.201 0.000 2.233 217 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 217 V C 2.143 178.173 176.094 -0.107 0.000 1.050 217 V CA 2.174 64.356 62.300 -0.198 0.000 1.010 217 V CB -0.585 31.100 31.823 -0.231 0.000 0.637 217 V HN 0.303 nan 8.190 nan 0.000 0.444 218 S N -0.832 114.829 115.700 -0.065 0.000 2.383 218 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 218 S C 1.920 176.500 174.600 -0.033 0.000 1.026 218 S CA 1.414 59.595 58.200 -0.032 0.000 0.981 218 S CB -0.255 62.947 63.200 0.005 0.000 0.818 218 S HN 0.672 nan 8.310 nan 0.000 0.472 219 E N 0.985 121.165 120.200 -0.034 0.000 2.077 219 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 219 E C 2.355 178.928 176.600 -0.046 0.000 0.989 219 E CA 0.930 57.311 56.400 -0.032 0.000 0.800 219 E CB -0.062 29.620 29.700 -0.031 0.000 0.746 219 E HN 0.341 nan 8.360 nan 0.000 0.452 220 R N 0.138 120.600 120.500 -0.064 0.000 2.115 220 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 220 R C 2.325 178.588 176.300 -0.062 0.000 1.100 220 R CA 0.807 56.868 56.100 -0.065 0.000 0.980 220 R CB -0.140 30.112 30.300 -0.080 0.000 0.875 220 R HN 0.210 nan 8.270 nan 0.000 0.445 221 I N 0.617 121.149 120.570 -0.063 0.000 2.315 221 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 221 I C 2.629 178.703 176.117 -0.071 0.000 1.117 221 I CA 1.112 62.375 61.300 -0.063 0.000 1.404 221 I CB -0.154 37.813 38.000 -0.055 0.000 1.071 221 I HN 0.210 nan 8.210 nan 0.000 0.419 222 M N 0.850 120.415 119.600 -0.058 0.000 2.117 222 M HA -0.247 4.233 4.480 -0.000 0.000 0.262 222 M C 1.670 177.934 176.300 -0.061 0.000 1.065 222 M CA 1.956 57.222 55.300 -0.057 0.000 1.114 222 M CB -0.198 32.379 32.600 -0.039 0.000 1.361 222 M HN 0.131 nan 8.290 nan 0.000 0.408 223 D N 0.760 121.128 120.400 -0.053 0.000 2.104 223 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 223 D C 2.060 178.324 176.300 -0.058 0.000 0.994 223 D CA 1.510 55.482 54.000 -0.048 0.000 0.830 223 D CB -0.543 40.233 40.800 -0.040 0.000 0.959 223 D HN 0.441 nan 8.370 nan 0.000 0.452 224 L N 0.086 121.266 121.223 -0.071 0.000 2.131 224 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 224 L C 2.308 179.078 176.870 -0.168 0.000 1.092 224 L CA 0.649 55.437 54.840 -0.086 0.000 0.759 224 L CB -0.230 41.785 42.059 -0.074 0.000 0.903 224 L HN 0.030 nan 8.230 nan 0.000 0.435 225 L N -1.253 119.857 121.223 -0.189 0.000 2.529 225 L HA 0.181 4.521 4.340 -0.000 0.000 0.223 225 L C 1.693 178.469 176.870 -0.157 0.000 1.113 225 L CA 0.333 55.012 54.840 -0.270 0.000 0.861 225 L CB -0.556 41.370 42.059 -0.222 0.000 1.012 225 L HN 0.402 nan 8.230 nan 0.000 0.461 226 G N 2.024 110.767 108.800 -0.095 0.000 2.622 226 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.307 226 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.307 226 G C 0.695 175.571 174.900 -0.040 0.000 1.226 226 G CA 0.556 45.625 45.100 -0.053 0.000 0.997 226 G HN 0.506 nan 8.290 nan 0.000 0.551 227 D N 1.073 121.460 120.400 -0.021 0.000 2.378 227 D HA -0.006 4.634 4.640 -0.000 0.000 0.227 227 D C 2.117 178.415 176.300 -0.003 0.000 1.012 227 D CA 0.903 54.899 54.000 -0.006 0.000 0.905 227 D CB -0.327 40.478 40.800 0.008 0.000 0.895 227 D HN 0.626 nan 8.370 nan 0.000 0.532 228 R N -0.009 120.478 120.500 -0.022 0.000 2.235 228 R HA 0.097 4.437 4.340 -0.000 0.000 0.213 228 R C 0.342 176.620 176.300 -0.036 0.000 1.059 228 R CA 0.184 56.272 56.100 -0.020 0.000 0.997 228 R CB 0.325 30.601 30.300 -0.041 0.000 0.884 228 R HN 0.065 nan 8.270 nan 0.000 0.462 229 V N 2.815 122.703 119.914 -0.043 0.000 2.406 229 V HA 0.129 4.249 4.120 -0.000 0.000 0.272 229 V C -0.118 175.952 176.094 -0.040 0.000 1.043 229 V CA -0.474 61.795 62.300 -0.051 0.000 0.915 229 V CB 1.417 33.211 31.823 -0.049 0.000 0.988 229 V HN 0.043 nan 8.190 nan 0.000 0.466 230 K N 6.567 126.931 120.400 -0.060 0.000 2.367 230 K HA 0.543 4.863 4.320 -0.000 0.000 0.263 230 K C -0.752 175.816 176.600 -0.055 0.000 1.000 230 K CA -0.335 55.926 56.287 -0.044 0.000 0.891 230 K CB 1.912 34.382 32.500 -0.049 0.000 1.117 230 K HN 0.491 nan 8.250 nan 0.000 0.443 231 L N 1.566 122.767 121.223 -0.036 0.000 2.399 231 L HA 0.178 4.518 4.340 -0.000 0.000 0.266 231 L C 0.680 177.523 176.870 -0.045 0.000 1.114 231 L CA -0.233 54.581 54.840 -0.044 0.000 0.804 231 L CB 0.239 42.281 42.059 -0.029 0.000 1.146 231 L HN 0.698 nan 8.230 nan 0.000 0.451 232 E N 0.527 120.687 120.200 -0.067 0.000 2.389 232 E HA -0.235 4.115 4.350 -0.000 0.000 0.243 232 E C -0.500 176.063 176.600 -0.063 0.000 1.154 232 E CA 0.320 56.678 56.400 -0.070 0.000 0.723 232 E CB -0.802 28.875 29.700 -0.039 0.000 1.261 232 E HN 0.360 nan 8.360 nan 0.000 0.390 233 R N 0.237 120.686 120.500 -0.085 0.000 2.724 233 R HA 0.244 4.584 4.340 -0.000 0.000 0.284 233 R C -2.693 173.546 176.300 -0.101 0.000 1.481 233 R CA -1.944 54.119 56.100 -0.062 0.000 1.652 233 R CB 0.647 30.914 30.300 -0.056 0.000 1.175 233 R HN -0.018 nan 8.270 nan 0.000 0.613 234 P HA 0.023 nan 4.420 nan 0.000 0.271 234 P C -0.315 176.977 177.300 -0.013 0.000 1.220 234 P CA -0.184 62.841 63.100 -0.125 0.000 0.768 234 P CB 0.972 32.616 31.700 -0.093 0.000 0.848 235 V N 5.451 125.362 119.914 -0.006 0.000 2.555 235 V HA 0.073 4.193 4.120 -0.000 0.000 0.286 235 V C 1.697 177.830 176.094 0.065 0.000 1.044 235 V CA 0.359 62.675 62.300 0.025 0.000 1.026 235 V CB 0.418 32.238 31.823 -0.005 0.000 0.981 235 V HN 0.531 nan 8.190 nan 0.000 0.480 236 I N 1.917 122.543 120.570 0.093 0.000 4.323 236 I HA 0.437 4.607 4.170 -0.000 0.000 0.328 236 I C -0.011 176.215 176.117 0.182 0.000 1.310 236 I CA 0.154 61.537 61.300 0.139 0.000 1.186 236 I CB 0.599 38.672 38.000 0.122 0.000 1.130 236 I HN 0.492 nan 8.210 nan 0.000 0.411 237 Y N 1.991 122.253 120.300 -0.064 0.000 2.348 237 Y HA 0.651 5.201 4.550 -0.000 0.000 0.321 237 Y C -1.823 174.007 175.900 -0.117 0.000 1.163 237 Y CA -1.631 56.410 58.100 -0.099 0.000 1.070 237 Y CB 1.498 39.925 38.460 -0.055 0.000 1.250 237 Y HN -0.017 nan 8.280 nan 0.000 0.425 238 I N 5.986 126.174 120.570 -0.636 0.000 2.418 238 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 238 I C -1.099 174.658 176.117 -0.601 0.000 1.008 238 I CA -0.655 60.345 61.300 -0.500 0.000 1.104 238 I CB 1.637 39.494 38.000 -0.238 0.000 1.264 238 I HN 0.523 nan 8.210 nan 0.000 0.438 239 D N 6.175 126.264 120.400 -0.518 0.000 2.344 239 D HA 0.263 4.903 4.640 -0.000 0.000 0.239 239 D C -0.204 176.025 176.300 -0.118 0.000 1.064 239 D CA -0.163 53.632 54.000 -0.343 0.000 0.829 239 D CB 1.733 42.361 40.800 -0.287 0.000 1.129 239 D HN 0.535 nan 8.370 nan 0.000 0.506 240 Q N 1.627 121.399 119.800 -0.047 0.000 2.159 240 Q HA 0.057 4.397 4.340 -0.000 0.000 0.217 240 Q C 1.403 177.402 176.000 -0.003 0.000 0.818 240 Q CA -0.003 55.791 55.803 -0.014 0.000 1.008 240 Q CB 0.935 29.681 28.738 0.012 0.000 1.148 240 Q HN 0.588 nan 8.270 nan 0.000 0.491 241 T N -2.123 112.433 114.554 0.004 0.000 2.904 241 T HA 0.020 4.370 4.350 -0.000 0.000 0.267 241 T C 1.132 175.837 174.700 0.007 0.000 1.059 241 T CA 0.447 62.556 62.100 0.015 0.000 1.137 241 T CB 0.237 69.124 68.868 0.031 0.000 0.879 241 T HN 0.032 nan 8.240 nan 0.000 0.467 242 R N 0.573 121.074 120.500 0.001 0.000 2.541 242 R HA 0.410 4.750 4.340 -0.000 0.000 0.254 242 R C 1.847 178.137 176.300 -0.016 0.000 1.130 242 R CA -0.437 55.661 56.100 -0.004 0.000 1.152 242 R CB 0.378 30.677 30.300 -0.000 0.000 1.222 242 R HN 0.211 nan 8.270 nan 0.000 0.579 243 E N 0.546 120.734 120.200 -0.019 0.000 2.058 243 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 243 E C -0.334 176.236 176.600 -0.051 0.000 0.997 243 E CA 1.209 57.591 56.400 -0.031 0.000 0.801 243 E CB 0.160 29.846 29.700 -0.024 0.000 0.746 243 E HN 0.309 nan 8.360 nan 0.000 0.450 244 N N 0.175 118.848 118.700 -0.044 0.000 2.417 244 N HA 0.175 4.915 4.740 -0.000 0.000 0.300 244 N C -0.944 174.539 175.510 -0.045 0.000 1.102 244 N CA -0.379 52.637 53.050 -0.056 0.000 0.886 244 N CB 2.120 40.584 38.487 -0.038 0.000 1.203 244 N HN -0.158 nan 8.380 nan 0.000 0.496 245 V N 2.205 122.086 119.914 -0.054 0.000 2.521 245 V HA 0.161 4.281 4.120 -0.000 0.000 0.286 245 V C 0.536 176.620 176.094 -0.018 0.000 1.034 245 V CA -0.270 62.007 62.300 -0.038 0.000 1.045 245 V CB 0.000 31.804 31.823 -0.032 0.000 0.974 245 V HN 0.373 nan 8.190 nan 0.000 0.480 246 L N 5.682 126.887 121.223 -0.030 0.000 2.282 246 L HA 0.573 4.913 4.340 -0.000 0.000 0.288 246 L C -0.520 176.331 176.870 -0.032 0.000 1.033 246 L CA -0.443 54.392 54.840 -0.008 0.000 0.807 246 L CB 1.769 43.832 42.059 0.007 0.000 1.209 246 L HN 0.407 nan 8.230 nan 0.000 0.423 247 V N 2.841 122.785 119.914 0.049 0.000 2.444 247 V HA 0.356 4.476 4.120 -0.000 0.000 0.294 247 V C -0.241 175.950 176.094 0.161 0.000 1.022 247 V CA -0.668 61.667 62.300 0.058 0.000 0.850 247 V CB 1.679 33.537 31.823 0.059 0.000 0.992 247 V HN 0.719 nan 8.190 nan 0.000 0.426 248 E N 2.549 122.845 120.200 0.160 0.000 2.179 248 E HA 0.584 4.934 4.350 -0.000 0.000 0.275 248 E C -0.450 176.256 176.600 0.178 0.000 0.945 248 E CA -0.356 56.170 56.400 0.210 0.000 0.792 248 E CB 1.911 31.765 29.700 0.257 0.000 1.125 248 E HN 0.774 nan 8.360 nan 0.000 0.397 249 T N 2.462 117.130 114.554 0.191 0.000 2.948 249 T HA 0.139 4.489 4.350 -0.000 0.000 0.285 249 T C 1.005 175.790 174.700 0.141 0.000 1.019 249 T CA -0.716 61.469 62.100 0.142 0.000 1.013 249 T CB 1.086 70.038 68.868 0.139 0.000 1.117 249 T HN 0.465 nan 8.240 nan 0.000 0.533 250 L N 2.768 124.051 121.223 0.101 0.000 2.079 250 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 250 L C 1.909 178.813 176.870 0.058 0.000 1.081 250 L CA 2.469 57.367 54.840 0.097 0.000 0.752 250 L CB -1.147 40.951 42.059 0.066 0.000 0.896 250 L HN 0.940 nan 8.230 nan 0.000 0.433 251 N N -2.380 116.320 118.700 -0.000 0.000 2.434 251 N HA -0.075 4.664 4.740 -0.000 0.000 0.196 251 N C 0.321 175.766 175.510 -0.108 0.000 1.183 251 N CA 0.637 53.601 53.050 -0.143 0.000 0.849 251 N CB -0.536 37.904 38.487 -0.078 0.000 0.992 251 N HN 0.617 nan 8.380 nan 0.000 0.460 252 H N -3.320 115.766 119.070 0.027 0.000 3.636 252 H HA -0.158 4.398 4.556 -0.000 0.000 0.179 252 H C -0.789 174.548 175.328 0.015 0.000 0.968 252 H CA 0.382 56.439 56.048 0.014 0.000 1.220 252 H CB -1.544 28.215 29.762 -0.005 0.000 1.023 252 H HN 0.477 nan 8.280 nan 0.000 0.366 253 E N 1.644 121.928 120.200 0.141 0.000 2.392 253 E HA 0.188 4.538 4.350 -0.000 0.000 0.264 253 E C 0.263 176.884 176.600 0.034 0.000 1.024 253 E CA 0.072 56.499 56.400 0.046 0.000 0.903 253 E CB 0.570 30.322 29.700 0.087 0.000 0.963 253 E HN 0.087 nan 8.360 nan 0.000 0.432 254 M N 2.669 122.178 119.600 -0.152 0.000 2.364 254 M HA 0.348 4.828 4.480 -0.000 0.000 0.334 254 M C -1.212 174.886 176.300 -0.338 0.000 1.107 254 M CA -0.566 54.676 55.300 -0.097 0.000 0.988 254 M CB 0.964 33.531 32.600 -0.055 0.000 1.673 254 M HN 0.443 nan 8.290 nan 0.000 0.441 255 Y N 0.228 120.540 120.300 0.020 0.000 2.391 255 Y HA 0.452 5.002 4.550 -0.000 0.000 0.341 255 Y C -0.074 175.828 175.900 0.003 0.000 0.965 255 Y CA -0.696 57.411 58.100 0.011 0.000 1.067 255 Y CB 1.852 40.317 38.460 0.010 0.000 1.199 255 Y HN 0.587 nan 8.280 nan 0.000 0.450 256 E N 2.029 122.299 120.200 0.117 0.000 2.187 256 E HA 0.850 5.200 4.350 -0.000 0.000 0.268 256 E C -1.390 175.246 176.600 0.060 0.000 0.896 256 E CA -0.666 55.770 56.400 0.059 0.000 0.766 256 E CB 1.295 31.007 29.700 0.019 0.000 1.142 256 E HN 0.766 nan 8.360 nan 0.000 0.408 257 A N 3.480 126.319 122.820 0.031 0.000 2.594 257 A HA 0.370 4.690 4.320 -0.000 0.000 0.291 257 A C -0.139 177.416 177.584 -0.049 0.000 1.105 257 A CA -0.646 51.403 52.037 0.019 0.000 0.694 257 A CB 1.456 20.487 19.000 0.050 0.000 1.291 257 A HN 0.669 nan 8.150 nan 0.000 0.410 258 K N -0.826 119.524 120.400 -0.082 0.000 2.137 258 K HA 0.131 4.451 4.320 -0.000 0.000 0.202 258 K C -0.745 175.519 176.600 -0.560 0.000 1.052 258 K CA 1.405 57.504 56.287 -0.312 0.000 0.961 258 K CB -0.023 32.315 32.500 -0.271 0.000 0.741 258 K HN 0.595 nan 8.250 nan 0.000 0.452 259 Y N -0.903 119.417 120.300 0.033 0.000 2.562 259 Y HA 0.386 4.936 4.550 -0.000 0.000 0.345 259 Y C -0.664 175.259 175.900 0.038 0.000 1.045 259 Y CA -1.312 56.821 58.100 0.056 0.000 1.028 259 Y CB 1.887 40.367 38.460 0.033 0.000 1.297 259 Y HN -0.410 nan 8.280 nan 0.000 0.463 260 V N 3.717 123.763 119.914 0.220 0.000 2.604 260 V HA 0.474 4.594 4.120 -0.000 0.000 0.305 260 V C -0.495 175.642 176.094 0.072 0.000 1.043 260 V CA -0.851 61.509 62.300 0.099 0.000 0.888 260 V CB 1.993 33.843 31.823 0.044 0.000 0.995 260 V HN 0.562 nan 8.190 nan 0.000 0.429 261 I N 2.989 123.573 120.570 0.023 0.000 2.339 261 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 261 I C 0.295 176.394 176.117 -0.031 0.000 0.994 261 I CA -0.114 61.179 61.300 -0.012 0.000 1.191 261 I CB 1.853 39.855 38.000 0.004 0.000 1.343 261 I HN 0.602 nan 8.210 nan 0.000 0.458 262 S N 5.543 121.186 115.700 -0.094 0.000 2.399 262 S HA 0.522 4.992 4.470 -0.000 0.000 0.301 262 S C 0.404 175.080 174.600 0.127 0.000 1.093 262 S CA -0.472 57.743 58.200 0.025 0.000 1.077 262 S CB 0.511 63.740 63.200 0.048 0.000 0.980 262 S HN 0.714 nan 8.310 nan 0.000 0.494 263 A N 6.008 128.895 122.820 0.112 0.000 2.965 263 A HA 0.468 4.788 4.320 -0.000 0.000 0.304 263 A C 0.324 177.988 177.584 0.134 0.000 1.214 263 A CA -0.704 51.407 52.037 0.124 0.000 0.977 263 A CB -0.545 18.503 19.000 0.081 0.000 1.127 263 A HN 0.916 nan 8.150 nan 0.000 0.572 264 I N -3.908 116.760 120.570 0.164 0.000 2.910 264 I HA 0.686 4.856 4.170 -0.000 0.000 0.310 264 I C -2.899 173.319 176.117 0.168 0.000 1.043 264 I CA -3.112 58.283 61.300 0.158 0.000 1.053 264 I CB 1.515 39.611 38.000 0.160 0.000 1.242 264 I HN -0.146 nan 8.210 nan 0.000 0.452 265 P HA 0.142 nan 4.420 nan 0.000 0.264 265 P C -2.180 175.178 177.300 0.097 0.000 1.183 265 P CA -0.669 62.504 63.100 0.121 0.000 0.763 265 P CB -0.030 31.727 31.700 0.095 0.000 0.807 266 P HA -0.240 nan 4.420 nan 0.000 0.216 266 P C 1.616 178.904 177.300 -0.020 0.000 1.157 266 P CA 1.895 65.005 63.100 0.017 0.000 0.880 266 P CB -0.250 31.428 31.700 -0.037 0.000 0.791 267 T N -1.503 113.015 114.554 -0.060 0.000 2.915 267 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 267 T C 1.532 176.224 174.700 -0.014 0.000 1.071 267 T CA 0.690 62.742 62.100 -0.080 0.000 1.132 267 T CB -0.776 68.009 68.868 -0.139 0.000 0.878 267 T HN -0.033 nan 8.240 nan 0.000 0.479 268 L N 0.381 121.625 121.223 0.035 0.000 2.465 268 L HA 0.123 4.463 4.340 -0.000 0.000 0.224 268 L C 2.811 179.755 176.870 0.123 0.000 1.145 268 L CA 0.737 55.624 54.840 0.079 0.000 0.834 268 L CB -0.737 41.393 42.059 0.119 0.000 0.944 268 L HN 0.357 nan 8.230 nan 0.000 0.451 269 G N -0.117 108.769 108.800 0.144 0.000 2.479 269 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 269 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 269 G C 1.596 176.634 174.900 0.230 0.000 1.115 269 G CA 0.290 45.533 45.100 0.239 0.000 0.757 269 G HN 0.141 nan 8.290 nan 0.000 0.560 270 M N 0.430 120.095 119.600 0.107 0.000 2.267 270 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 270 M C 2.181 178.491 176.300 0.017 0.000 1.063 270 M CA 0.983 56.313 55.300 0.050 0.000 1.090 270 M CB -0.548 32.045 32.600 -0.011 0.000 1.392 270 M HN 0.197 nan 8.290 nan 0.000 0.422 271 K N 0.064 120.495 120.400 0.052 0.000 2.504 271 K HA 0.101 4.421 4.320 -0.000 0.000 0.195 271 K C 0.464 177.102 176.600 0.063 0.000 1.036 271 K CA 0.500 56.825 56.287 0.063 0.000 0.984 271 K CB 0.050 32.623 32.500 0.122 0.000 0.788 271 K HN 0.341 nan 8.250 nan 0.000 0.488 272 I N 1.202 121.771 120.570 -0.001 0.000 2.377 272 I HA 0.109 4.279 4.170 -0.000 0.000 0.293 272 I C 0.217 176.159 176.117 -0.292 0.000 0.987 272 I CA -0.668 60.535 61.300 -0.162 0.000 1.185 272 I CB 1.268 39.021 38.000 -0.413 0.000 1.341 272 I HN 0.011 nan 8.210 nan 0.000 0.455 273 H N 6.094 125.049 119.070 -0.191 0.000 2.562 273 H HA 0.351 4.907 4.556 -0.000 0.000 0.314 273 H C -1.078 174.162 175.328 -0.146 0.000 1.079 273 H CA -0.238 55.799 56.048 -0.017 0.000 1.349 273 H CB 1.095 30.939 29.762 0.137 0.000 1.432 273 H HN 0.328 nan 8.280 nan 0.000 0.479 274 F N 1.846 121.913 119.950 0.194 0.000 2.450 274 F HA 0.189 4.716 4.527 -0.000 0.000 0.332 274 F C 0.575 176.435 175.800 0.100 0.000 1.093 274 F CA -0.734 57.313 58.000 0.079 0.000 1.003 274 F CB 1.422 40.449 39.000 0.045 0.000 1.151 274 F HN 0.469 nan 8.300 nan 0.000 0.474 275 N N 3.816 122.630 118.700 0.189 0.000 2.533 275 N HA 0.406 5.146 4.740 -0.000 0.000 0.289 275 N C -3.074 172.488 175.510 0.087 0.000 1.103 275 N CA -2.193 50.948 53.050 0.152 0.000 0.877 275 N CB 2.184 40.789 38.487 0.197 0.000 1.419 275 N HN 0.059 nan 8.380 nan 0.000 0.517 276 P HA 0.361 nan 4.420 nan 0.000 0.275 276 P C -2.656 174.718 177.300 0.123 0.000 1.266 276 P CA -1.101 62.057 63.100 0.097 0.000 0.793 276 P CB -0.348 31.387 31.700 0.059 0.000 1.074 277 P HA 0.058 nan 4.420 nan 0.000 0.267 277 P C 0.105 177.418 177.300 0.022 0.000 1.201 277 P CA 0.343 63.501 63.100 0.097 0.000 0.775 277 P CB 0.150 31.890 31.700 0.066 0.000 0.854 278 L N 3.758 124.949 121.223 -0.053 0.000 2.483 278 L HA 0.104 4.444 4.340 -0.000 0.000 0.275 278 L C -1.604 175.212 176.870 -0.090 0.000 1.220 278 L CA -1.510 53.228 54.840 -0.170 0.000 0.833 278 L CB -0.707 41.168 42.059 -0.306 0.000 1.102 278 L HN 0.307 nan 8.230 nan 0.000 0.490 279 P HA -0.091 nan 4.420 nan 0.000 0.267 279 P C 0.642 177.909 177.300 -0.054 0.000 1.201 279 P CA -0.079 62.985 63.100 -0.059 0.000 0.775 279 P CB 0.436 32.099 31.700 -0.062 0.000 0.854 280 M N 2.061 121.642 119.600 -0.032 0.000 2.106 280 M HA -0.193 4.287 4.480 -0.000 0.000 0.259 280 M C 1.173 177.478 176.300 0.008 0.000 1.068 280 M CA 2.224 57.515 55.300 -0.014 0.000 1.100 280 M CB -0.383 32.212 32.600 -0.008 0.000 1.351 280 M HN 0.201 nan 8.290 nan 0.000 0.404 281 M N -0.196 119.407 119.600 0.005 0.000 2.132 281 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 281 M C 2.283 178.627 176.300 0.073 0.000 1.065 281 M CA 1.755 57.099 55.300 0.073 0.000 1.122 281 M CB -1.493 31.097 32.600 -0.016 0.000 1.365 281 M HN 0.409 nan 8.290 nan 0.000 0.411 282 R N 0.474 120.946 120.500 -0.047 0.000 2.075 282 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 282 R C 1.991 178.210 176.300 -0.135 0.000 1.126 282 R CA 1.852 57.876 56.100 -0.127 0.000 0.963 282 R CB -0.267 29.909 30.300 -0.206 0.000 0.858 282 R HN 0.347 nan 8.270 nan 0.000 0.435 283 N N 0.193 118.830 118.700 -0.105 0.000 2.094 283 N HA -0.216 4.524 4.740 -0.000 0.000 0.191 283 N C 1.560 177.009 175.510 -0.101 0.000 1.023 283 N CA 1.878 54.873 53.050 -0.091 0.000 0.857 283 N CB 0.066 38.520 38.487 -0.055 0.000 1.013 283 N HN 0.389 nan 8.380 nan 0.000 0.426 284 Q N -1.021 118.723 119.800 -0.095 0.000 2.163 284 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 284 Q C 1.977 177.729 176.000 -0.413 0.000 0.954 284 Q CA 0.548 56.240 55.803 -0.185 0.000 0.851 284 Q CB -0.124 28.570 28.738 -0.072 0.000 0.928 284 Q HN 0.485 nan 8.270 nan 0.000 0.459 285 M N 1.745 121.088 119.600 -0.428 0.000 2.082 285 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 285 M C 2.072 178.143 176.300 -0.381 0.000 1.069 285 M CA 1.722 56.718 55.300 -0.506 0.000 1.102 285 M CB -0.516 31.957 32.600 -0.211 0.000 1.336 285 M HN 0.311 nan 8.290 nan 0.000 0.404 286 I N -1.544 118.868 120.570 -0.264 0.000 3.241 286 I HA -0.105 4.065 4.170 -0.000 0.000 0.280 286 I C 1.547 177.539 176.117 -0.208 0.000 1.320 286 I CA 1.471 62.645 61.300 -0.209 0.000 1.413 286 I CB -1.020 36.904 38.000 -0.128 0.000 1.060 286 I HN 0.339 nan 8.210 nan 0.000 0.500 287 T N -2.520 111.889 114.554 -0.242 0.000 3.069 287 T HA 0.264 4.614 4.350 -0.000 0.000 0.252 287 T C 1.554 176.090 174.700 -0.274 0.000 1.053 287 T CA -0.177 61.792 62.100 -0.218 0.000 0.964 287 T CB -0.038 68.725 68.868 -0.176 0.000 1.005 287 T HN 0.399 nan 8.240 nan 0.000 0.532 288 R N 0.989 121.269 120.500 -0.367 0.000 2.472 288 R HA 0.322 4.662 4.340 -0.000 0.000 0.279 288 R C -0.116 175.876 176.300 -0.513 0.000 0.953 288 R CA 0.008 55.862 56.100 -0.410 0.000 1.088 288 R CB 1.209 31.210 30.300 -0.499 0.000 1.197 288 R HN 0.437 nan 8.270 nan 0.000 0.536 289 V N -0.633 118.960 119.914 -0.536 0.000 2.383 289 V HA 0.469 4.589 4.120 -0.000 0.000 0.264 289 V C -2.640 173.100 176.094 -0.590 0.000 1.001 289 V CA -2.372 59.496 62.300 -0.720 0.000 0.828 289 V CB 0.777 32.119 31.823 -0.803 0.000 1.069 289 V HN -0.107 nan 8.190 nan 0.000 0.451 290 P HA 0.515 nan 4.420 nan 0.000 0.276 290 P C -0.717 176.254 177.300 -0.547 0.000 1.261 290 P CA -0.352 62.415 63.100 -0.555 0.000 0.800 290 P CB 1.821 33.175 31.700 -0.577 0.000 1.066 291 L N 0.077 121.155 121.223 -0.241 0.000 2.334 291 L HA 0.593 4.933 4.340 -0.000 0.000 0.270 291 L C 1.409 178.325 176.870 0.077 0.000 1.018 291 L CA -0.297 54.502 54.840 -0.070 0.000 0.811 291 L CB 0.729 42.783 42.059 -0.009 0.000 1.271 291 L HN 0.466 nan 8.230 nan 0.000 0.443 292 G N -0.010 108.868 108.800 0.131 0.000 2.683 292 G HA2 0.412 4.372 3.960 -0.000 0.000 0.260 292 G HA3 0.412 4.372 3.960 -0.000 0.000 0.260 292 G C -0.745 174.156 174.900 0.002 0.000 1.238 292 G CA -0.365 44.780 45.100 0.074 0.000 0.934 292 G HN 0.501 nan 8.290 nan 0.000 0.534 293 S N -1.343 114.333 115.700 -0.041 0.000 2.519 293 S HA 0.594 5.064 4.470 -0.000 0.000 0.309 293 S C -0.952 173.633 174.600 -0.025 0.000 1.100 293 S CA -0.528 57.672 58.200 0.000 0.000 1.059 293 S CB 1.690 64.903 63.200 0.021 0.000 1.008 293 S HN 0.782 nan 8.310 nan 0.000 0.478 294 V N 4.731 124.680 119.914 0.058 0.000 3.000 294 V HA 0.565 4.684 4.120 -0.000 0.000 0.300 294 V C -1.921 174.332 176.094 0.265 0.000 1.251 294 V CA -0.757 61.611 62.300 0.113 0.000 0.972 294 V CB 1.793 33.620 31.823 0.007 0.000 1.065 294 V HN 0.881 nan 8.190 nan 0.000 0.431 295 I N 5.149 125.887 120.570 0.280 0.000 2.378 295 I HA 0.523 4.693 4.170 -0.000 0.000 0.291 295 I C -0.214 176.148 176.117 0.407 0.000 0.992 295 I CA -0.614 60.873 61.300 0.311 0.000 1.154 295 I CB 1.725 39.847 38.000 0.204 0.000 1.315 295 I HN 0.505 nan 8.210 nan 0.000 0.448 296 K N 5.841 126.513 120.400 0.454 0.000 2.211 296 K HA 0.584 4.904 4.320 -0.000 0.000 0.275 296 K C -1.428 175.296 176.600 0.206 0.000 1.024 296 K CA -0.322 56.202 56.287 0.395 0.000 0.887 296 K CB 0.846 33.639 32.500 0.488 0.000 1.084 296 K HN 0.710 nan 8.250 nan 0.000 0.463 297 C N 5.244 124.628 119.300 0.139 0.000 2.441 297 C HA 0.587 5.047 4.460 -0.000 0.000 0.318 297 C C -0.797 174.245 174.990 0.086 0.000 1.222 297 C CA -1.163 57.927 59.018 0.119 0.000 1.474 297 C CB 0.014 27.932 27.740 0.296 0.000 2.125 297 C HN 0.723 nan 8.230 nan 0.000 0.479 298 I N 2.765 123.346 120.570 0.018 0.000 2.439 298 I HA 0.436 4.606 4.170 -0.000 0.000 0.285 298 I C -0.305 175.843 176.117 0.052 0.000 1.021 298 I CA -0.173 61.103 61.300 -0.040 0.000 1.091 298 I CB 1.484 39.408 38.000 -0.127 0.000 1.242 298 I HN 0.383 nan 8.210 nan 0.000 0.439 299 V N 6.601 126.545 119.914 0.051 0.000 2.394 299 V HA 0.382 4.502 4.120 -0.000 0.000 0.282 299 V C -0.590 175.349 176.094 -0.258 0.000 1.031 299 V CA -0.706 61.637 62.300 0.071 0.000 0.881 299 V CB 0.778 32.681 31.823 0.132 0.000 0.982 299 V HN 0.403 nan 8.190 nan 0.000 0.451 300 Y N 4.020 124.276 120.300 -0.074 0.000 2.352 300 Y HA 0.664 5.214 4.550 -0.000 0.000 0.326 300 Y C -0.247 175.511 175.900 -0.236 0.000 1.166 300 Y CA -0.412 57.684 58.100 -0.008 0.000 1.182 300 Y CB 1.252 39.804 38.460 0.154 0.000 1.216 300 Y HN 0.530 nan 8.280 nan 0.000 0.474 301 Y N -0.212 120.335 120.300 0.412 0.000 2.605 301 Y HA 0.284 4.834 4.550 -0.000 0.000 0.343 301 Y C 1.100 177.146 175.900 0.242 0.000 1.036 301 Y CA -1.430 56.884 58.100 0.357 0.000 1.065 301 Y CB 1.908 40.675 38.460 0.510 0.000 1.288 301 Y HN 0.497 nan 8.280 nan 0.000 0.481 302 K N 0.438 121.053 120.400 0.359 0.000 2.074 302 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 302 K C -0.457 176.219 176.600 0.126 0.000 1.048 302 K CA 1.817 58.212 56.287 0.181 0.000 0.926 302 K CB 0.175 32.756 32.500 0.135 0.000 0.713 302 K HN 0.713 nan 8.250 nan 0.000 0.444 303 E N -1.265 119.029 120.200 0.155 0.000 2.408 303 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 303 E C -2.697 173.776 176.600 -0.210 0.000 0.935 303 E CA -2.235 54.161 56.400 -0.006 0.000 0.775 303 E CB 2.350 32.040 29.700 -0.017 0.000 1.277 303 E HN -0.071 nan 8.360 nan 0.000 0.455 304 P HA 0.059 nan 4.420 nan 0.000 0.225 304 P C 0.198 176.580 177.300 -1.530 0.000 1.813 304 P CA -0.044 62.141 63.100 -1.526 0.000 1.013 304 P CB -0.880 30.252 31.700 -0.947 0.000 1.961 305 F N -0.021 119.343 119.950 -0.977 0.000 2.269 305 F HA -0.085 4.442 4.527 -0.000 0.000 0.301 305 F C 1.756 177.384 175.800 -0.286 0.000 1.082 305 F CA -0.123 57.609 58.000 -0.446 0.000 1.360 305 F CB -1.712 37.158 39.000 -0.216 0.000 1.041 305 F HN 0.120 nan 8.300 nan 0.000 0.512 306 W N 1.429 122.429 121.300 -0.499 0.000 2.350 306 W HA -0.008 4.652 4.660 0.000 0.000 0.289 306 W C 2.024 178.499 176.519 -0.074 0.000 1.215 306 W CA 0.951 58.186 57.345 -0.184 0.000 1.236 306 W CB -1.142 28.144 29.460 -0.289 0.000 1.130 306 W HN -0.131 nan 8.180 nan 0.000 0.541 307 R N 1.263 121.571 120.500 -0.319 0.000 2.120 307 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 307 R C 2.043 178.264 176.300 -0.131 0.000 1.123 307 R CA 1.800 57.798 56.100 -0.170 0.000 0.975 307 R CB -0.489 29.652 30.300 -0.264 0.000 0.866 307 R HN 0.320 nan 8.270 nan 0.000 0.446 308 K N 0.750 121.067 120.400 -0.138 0.000 2.209 308 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 308 K C 1.455 177.986 176.600 -0.115 0.000 1.048 308 K CA 1.048 57.276 56.287 -0.098 0.000 0.940 308 K CB 0.024 32.486 32.500 -0.064 0.000 0.729 308 K HN 0.111 nan 8.250 nan 0.000 0.451 309 K N 0.955 121.258 120.400 -0.161 0.000 2.437 309 K HA -0.037 4.283 4.320 -0.000 0.000 0.198 309 K C -0.495 175.771 176.600 -0.556 0.000 1.024 309 K CA 0.097 56.178 56.287 -0.344 0.000 1.148 309 K CB 0.219 32.478 32.500 -0.401 0.000 0.860 309 K HN 0.032 nan 8.250 nan 0.000 0.515 310 D N 0.192 120.416 120.400 -0.294 0.000 2.746 310 D HA -0.223 4.417 4.640 -0.000 0.000 0.236 310 D C -1.417 174.812 176.300 -0.118 0.000 1.129 310 D CA 0.887 54.776 54.000 -0.184 0.000 0.691 310 D CB -1.323 39.393 40.800 -0.140 0.000 1.077 310 D HN 0.341 nan 8.370 nan 0.000 0.432 311 Y N -0.856 119.483 120.300 0.066 0.000 2.352 311 Y HA 0.311 4.861 4.550 -0.000 0.000 0.339 311 Y C 2.040 178.017 175.900 0.129 0.000 0.992 311 Y CA -0.986 57.156 58.100 0.069 0.000 1.100 311 Y CB 1.272 39.784 38.460 0.087 0.000 1.192 311 Y HN 0.265 nan 8.280 nan 0.000 0.458 312 C N -0.853 118.567 119.300 0.201 0.000 2.464 312 C HA 0.401 4.861 4.460 -0.000 0.000 0.278 312 C C 1.748 176.795 174.990 0.095 0.000 1.375 312 C CA 0.722 59.826 59.018 0.144 0.000 1.761 312 C CB -0.926 26.826 27.740 0.021 0.000 1.944 312 C HN 1.223 nan 8.230 nan 0.000 0.509 313 G N -0.444 108.254 108.800 -0.170 0.000 2.255 313 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.196 313 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.196 313 G C 0.048 174.619 174.900 -0.547 0.000 0.998 313 G CA 0.169 44.868 45.100 -0.669 0.000 0.656 313 G HN 0.566 nan 8.290 nan 0.000 0.490 314 T N 2.457 116.788 114.554 -0.372 0.000 2.814 314 T HA 0.613 4.963 4.350 -0.000 0.000 0.297 314 T C 0.306 174.806 174.700 -0.333 0.000 0.956 314 T CA 0.615 62.478 62.100 -0.395 0.000 1.123 314 T CB 0.766 69.458 68.868 -0.294 0.000 0.902 314 T HN 0.301 nan 8.240 nan 0.000 0.528 315 M N 4.072 123.461 119.600 -0.351 0.000 2.263 315 M HA 0.489 4.969 4.480 -0.000 0.000 0.295 315 M C -0.914 175.396 176.300 0.016 0.000 1.028 315 M CA -0.586 54.627 55.300 -0.144 0.000 0.921 315 M CB 2.177 34.673 32.600 -0.174 0.000 1.601 315 M HN 0.400 nan 8.290 nan 0.000 0.440 316 I N 4.697 125.422 120.570 0.259 0.000 2.328 316 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 316 I C -0.821 175.570 176.117 0.456 0.000 1.012 316 I CA -0.271 61.288 61.300 0.431 0.000 1.195 316 I CB 0.873 39.150 38.000 0.462 0.000 1.350 316 I HN 0.604 nan 8.210 nan 0.000 0.464 317 I N 5.254 126.047 120.570 0.372 0.000 2.382 317 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 317 I C -0.314 175.983 176.117 0.300 0.000 1.007 317 I CA -0.539 60.957 61.300 0.327 0.000 1.142 317 I CB 1.146 39.279 38.000 0.222 0.000 1.289 317 I HN 0.444 nan 8.210 nan 0.000 0.453 318 D N 4.800 125.376 120.400 0.294 0.000 2.264 318 D HA 0.624 5.264 4.640 -0.000 0.000 0.249 318 D C 0.205 176.615 176.300 0.184 0.000 1.070 318 D CA 0.635 54.769 54.000 0.224 0.000 0.912 318 D CB 2.015 42.926 40.800 0.185 0.000 1.193 318 D HN 0.828 nan 8.370 nan 0.000 0.427 319 G N 2.130 111.019 108.800 0.149 0.000 2.465 319 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.681 319 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.681 319 G C 0.505 175.477 174.900 0.120 0.000 1.340 319 G CA -0.189 44.984 45.100 0.123 0.000 0.884 319 G HN 0.391 nan 8.290 nan 0.000 0.650 320 E N 0.265 120.530 120.200 0.108 0.000 2.110 320 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 320 E C 2.176 178.834 176.600 0.098 0.000 0.988 320 E CA 2.524 58.996 56.400 0.121 0.000 0.804 320 E CB -0.002 29.764 29.700 0.110 0.000 0.745 320 E HN 0.675 nan 8.360 nan 0.000 0.458 321 E N 0.350 120.599 120.200 0.083 0.000 2.152 321 E HA 0.062 4.412 4.350 -0.000 0.000 0.192 321 E C 0.489 177.120 176.600 0.052 0.000 0.983 321 E CA 0.897 57.334 56.400 0.063 0.000 0.818 321 E CB -0.362 29.374 29.700 0.061 0.000 0.758 321 E HN 0.269 nan 8.360 nan 0.000 0.467 322 A N 2.685 125.547 122.820 0.070 0.000 2.444 322 A HA 0.166 4.486 4.320 -0.000 0.000 0.273 322 A C -1.407 176.205 177.584 0.046 0.000 1.136 322 A CA -1.170 50.902 52.037 0.059 0.000 0.799 322 A CB 0.160 19.219 19.000 0.099 0.000 1.081 322 A HN -0.001 nan 8.150 nan 0.000 0.509 323 P HA -0.049 nan 4.420 nan 0.000 0.217 323 P C 0.279 177.613 177.300 0.057 0.000 1.150 323 P CA 0.972 64.080 63.100 0.012 0.000 0.832 323 P CB 0.071 31.761 31.700 -0.018 0.000 0.787 324 V N 0.105 120.071 119.914 0.086 0.000 2.459 324 V HA 0.479 4.599 4.120 -0.000 0.000 0.295 324 V C 1.161 177.376 176.094 0.202 0.000 1.029 324 V CA -0.069 62.332 62.300 0.168 0.000 0.874 324 V CB 1.301 33.248 31.823 0.206 0.000 0.985 324 V HN -0.010 nan 8.190 nan 0.000 0.438 325 A N 4.391 127.363 122.820 0.254 0.000 2.252 325 A HA 0.347 4.667 4.320 -0.000 0.000 0.213 325 A C 0.114 177.931 177.584 0.388 0.000 1.188 325 A CA 0.487 52.694 52.037 0.284 0.000 0.863 325 A CB 0.214 19.367 19.000 0.255 0.000 0.893 325 A HN 0.751 nan 8.150 nan 0.000 0.495 326 Y N -0.071 120.362 120.300 0.221 0.000 2.442 326 Y HA 0.465 5.015 4.550 -0.000 0.000 0.330 326 Y C -0.460 175.503 175.900 0.105 0.000 1.100 326 Y CA -0.426 57.791 58.100 0.194 0.000 1.034 326 Y CB 1.528 40.154 38.460 0.277 0.000 1.285 326 Y HN 0.127 nan 8.280 nan 0.000 0.440 327 T N 3.919 118.170 114.554 -0.506 0.000 2.906 327 T HA 0.874 5.224 4.350 -0.000 0.000 0.295 327 T C -1.502 172.775 174.700 -0.706 0.000 1.075 327 T CA -0.821 60.972 62.100 -0.512 0.000 1.005 327 T CB 1.898 70.463 68.868 -0.506 0.000 1.136 327 T HN 0.603 nan 8.240 nan 0.000 0.498 328 L N 1.006 121.938 121.223 -0.486 0.000 2.393 328 L HA 0.494 4.834 4.340 -0.000 0.000 0.260 328 L C -0.584 176.099 176.870 -0.312 0.000 1.002 328 L CA -1.256 53.358 54.840 -0.378 0.000 0.818 328 L CB 2.224 44.136 42.059 -0.244 0.000 1.369 328 L HN 0.749 nan 8.230 nan 0.000 0.412 329 D N 1.005 121.257 120.400 -0.247 0.000 2.434 329 D HA -0.054 4.586 4.640 -0.000 0.000 0.252 329 D C -0.297 176.016 176.300 0.022 0.000 1.185 329 D CA 0.627 54.559 54.000 -0.114 0.000 0.886 329 D CB 1.153 41.999 40.800 0.076 0.000 1.148 329 D HN 0.518 nan 8.370 nan 0.000 0.483 330 D N 1.924 122.342 120.400 0.029 0.000 2.462 330 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 330 D C -0.364 176.012 176.300 0.127 0.000 1.173 330 D CA -0.179 53.864 54.000 0.072 0.000 0.831 330 D CB 0.405 41.188 40.800 -0.027 0.000 1.001 330 D HN 0.211 nan 8.370 nan 0.000 0.499 331 T N 1.605 116.273 114.554 0.190 0.000 2.940 331 T HA 0.029 4.379 4.350 -0.000 0.000 0.309 331 T C 0.500 175.274 174.700 0.123 0.000 1.056 331 T CA -0.116 62.094 62.100 0.184 0.000 1.137 331 T CB 0.811 69.795 68.868 0.193 0.000 0.976 331 T HN -0.022 nan 8.240 nan 0.000 0.547 332 K N 4.152 124.584 120.400 0.054 0.000 2.380 332 K HA 0.048 4.368 4.320 -0.000 0.000 0.267 332 K C -1.449 175.045 176.600 -0.178 0.000 0.990 332 K CA -1.516 54.704 56.287 -0.111 0.000 0.946 332 K CB 0.111 32.572 32.500 -0.065 0.000 0.937 332 K HN 0.354 nan 8.250 nan 0.000 0.491 333 P HA -0.132 nan 4.420 nan 0.000 0.221 333 P C 0.352 177.583 177.300 -0.115 0.000 1.145 333 P CA 1.328 64.237 63.100 -0.318 0.000 0.795 333 P CB 0.297 31.700 31.700 -0.496 0.000 0.775 334 E N -0.872 119.277 120.200 -0.085 0.000 2.347 334 E HA 0.127 4.477 4.350 -0.000 0.000 0.196 334 E C 1.586 178.179 176.600 -0.012 0.000 1.008 334 E CA 1.014 57.399 56.400 -0.025 0.000 0.852 334 E CB -0.764 28.941 29.700 0.008 0.000 0.783 334 E HN 0.301 nan 8.360 nan 0.000 0.505 335 G N 0.722 109.517 108.800 -0.008 0.000 2.176 335 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.232 335 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.232 335 G C 0.029 174.927 174.900 -0.003 0.000 0.986 335 G CA 0.233 45.327 45.100 -0.010 0.000 0.643 335 G HN 0.354 nan 8.290 nan 0.000 0.522 336 N N -0.779 117.941 118.700 0.033 0.000 2.563 336 N HA 0.549 5.289 4.740 -0.000 0.000 0.288 336 N C 0.501 176.107 175.510 0.160 0.000 1.246 336 N CA -0.980 52.074 53.050 0.007 0.000 0.946 336 N CB 0.084 38.517 38.487 -0.090 0.000 1.213 336 N HN 0.576 nan 8.380 nan 0.000 0.578 337 Y N -2.591 117.741 120.300 0.052 0.000 3.168 337 Y HA -0.180 4.370 4.550 -0.000 0.000 0.207 337 Y C 0.620 176.652 175.900 0.221 0.000 1.280 337 Y CA 0.326 58.508 58.100 0.136 0.000 1.235 337 Y CB -2.335 36.169 38.460 0.075 0.000 1.370 337 Y HN 0.763 nan 8.280 nan 0.000 0.537 338 A N 0.283 123.264 122.820 0.268 0.000 2.584 338 A HA 0.504 4.824 4.320 -0.000 0.000 0.239 338 A C 0.757 178.582 177.584 0.402 0.000 1.043 338 A CA 0.694 52.904 52.037 0.288 0.000 0.756 338 A CB 0.032 19.132 19.000 0.166 0.000 0.963 338 A HN 1.479 nan 8.150 nan 0.000 0.511 339 A N 2.572 125.621 122.820 0.382 0.000 2.604 339 A HA 0.645 4.965 4.320 -0.000 0.000 0.295 339 A C -0.941 176.637 177.584 -0.010 0.000 1.067 339 A CA -0.543 51.538 52.037 0.074 0.000 0.683 339 A CB 1.020 19.735 19.000 -0.474 0.000 1.281 339 A HN 0.724 nan 8.150 nan 0.000 0.407 340 I N 2.531 122.999 120.570 -0.169 0.000 2.389 340 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 340 I C -0.226 175.743 176.117 -0.247 0.000 0.999 340 I CA -0.346 60.727 61.300 -0.379 0.000 1.129 340 I CB 1.609 39.250 38.000 -0.599 0.000 1.288 340 I HN 0.734 nan 8.210 nan 0.000 0.444 341 M N 5.757 125.206 119.600 -0.251 0.000 2.188 341 M HA 0.589 5.069 4.480 -0.000 0.000 0.357 341 M C -0.303 175.855 176.300 -0.236 0.000 1.204 341 M CA -0.118 55.063 55.300 -0.197 0.000 1.095 341 M CB 1.124 33.627 32.600 -0.161 0.000 1.604 341 M HN 0.706 nan 8.290 nan 0.000 0.464 342 G N 4.453 113.170 108.800 -0.139 0.000 2.612 342 G HA2 0.687 4.647 3.960 -0.000 0.000 0.298 342 G HA3 0.687 4.647 3.960 -0.000 0.000 0.298 342 G C -1.936 172.926 174.900 -0.064 0.000 1.336 342 G CA -0.549 44.513 45.100 -0.063 0.000 0.953 342 G HN 0.661 nan 8.290 nan 0.000 0.482 343 F N 0.573 120.669 119.950 0.245 0.000 2.436 343 F HA 0.500 5.027 4.527 -0.000 0.000 0.340 343 F C 0.505 176.419 175.800 0.189 0.000 1.113 343 F CA -0.736 57.409 58.000 0.242 0.000 1.022 343 F CB 2.168 41.341 39.000 0.288 0.000 1.128 343 F HN 0.045 nan 8.300 nan 0.000 0.466 344 I N 5.369 126.157 120.570 0.363 0.000 2.312 344 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 344 I C -0.730 175.479 176.117 0.154 0.000 1.008 344 I CA -0.362 61.063 61.300 0.208 0.000 1.226 344 I CB 0.911 39.001 38.000 0.148 0.000 1.371 344 I HN 0.383 nan 8.210 nan 0.000 0.468 345 L N 6.405 127.681 121.223 0.089 0.000 2.325 345 L HA 0.725 5.065 4.340 -0.000 0.000 0.278 345 L C 0.936 177.784 176.870 -0.038 0.000 1.023 345 L CA -0.153 54.700 54.840 0.022 0.000 0.811 345 L CB 1.553 43.632 42.059 0.032 0.000 1.249 345 L HN 0.911 nan 8.230 nan 0.000 0.431 346 A N 2.073 124.862 122.820 -0.052 0.000 5.295 346 A HA -0.363 3.957 4.320 -0.000 0.000 0.313 346 A C 1.667 179.253 177.584 0.003 0.000 1.912 346 A CA 1.475 53.489 52.037 -0.039 0.000 0.714 346 A CB -1.632 17.347 19.000 -0.036 0.000 1.319 346 A HN 1.079 nan 8.150 nan 0.000 0.375 347 H N 1.070 120.129 119.070 -0.019 0.000 2.456 347 H HA 0.019 4.575 4.556 -0.000 0.000 0.296 347 H C 1.703 177.047 175.328 0.026 0.000 1.079 347 H CA 1.827 57.881 56.048 0.010 0.000 1.322 347 H CB -0.344 29.432 29.762 0.023 0.000 1.388 347 H HN 0.722 nan 8.280 nan 0.000 0.538 348 K N 0.681 120.727 120.400 -0.591 0.000 2.148 348 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 348 K C 2.566 179.096 176.600 -0.117 0.000 1.050 348 K CA 0.940 57.000 56.287 -0.379 0.000 0.942 348 K CB 0.034 32.344 32.500 -0.318 0.000 0.724 348 K HN 0.334 nan 8.250 nan 0.000 0.446 349 A N 1.295 124.081 122.820 -0.057 0.000 1.902 349 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 349 A C 2.041 179.637 177.584 0.020 0.000 1.181 349 A CA 1.406 53.452 52.037 0.015 0.000 0.623 349 A CB -0.278 18.747 19.000 0.043 0.000 0.818 349 A HN 0.121 nan 8.150 nan 0.000 0.443 350 R N -0.229 120.282 120.500 0.017 0.000 2.075 350 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 350 R C 2.316 178.633 176.300 0.028 0.000 1.126 350 R CA 1.678 57.798 56.100 0.032 0.000 0.963 350 R CB -0.293 30.038 30.300 0.051 0.000 0.858 350 R HN 0.632 nan 8.270 nan 0.000 0.435 351 K N 0.652 121.062 120.400 0.018 0.000 2.025 351 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 351 K C 1.486 178.093 176.600 0.013 0.000 1.049 351 K CA 1.332 57.632 56.287 0.021 0.000 0.933 351 K CB 0.003 32.515 32.500 0.020 0.000 0.714 351 K HN 0.158 nan 8.250 nan 0.000 0.438 352 L N 0.447 121.672 121.223 0.004 0.000 2.591 352 L HA 0.116 4.456 4.340 -0.000 0.000 0.228 352 L C 2.211 179.095 176.870 0.024 0.000 1.133 352 L CA 0.193 55.039 54.840 0.011 0.000 0.880 352 L CB -0.014 42.049 42.059 0.008 0.000 1.033 352 L HN 0.193 nan 8.230 nan 0.000 0.450 353 A N 0.670 123.506 122.820 0.027 0.000 2.015 353 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 353 A C 2.370 179.968 177.584 0.023 0.000 1.163 353 A CA 1.015 53.070 52.037 0.030 0.000 0.646 353 A CB -0.306 18.712 19.000 0.029 0.000 0.806 353 A HN 0.377 nan 8.150 nan 0.000 0.448 354 R N -0.436 120.075 120.500 0.020 0.000 2.148 354 R HA 0.061 4.401 4.340 -0.000 0.000 0.227 354 R C 0.228 176.537 176.300 0.015 0.000 1.103 354 R CA 0.282 56.391 56.100 0.016 0.000 0.983 354 R CB -0.608 29.701 30.300 0.015 0.000 0.874 354 R HN 0.429 nan 8.270 nan 0.000 0.451 355 L N 1.242 122.474 121.223 0.016 0.000 2.472 355 L HA 0.060 4.400 4.340 -0.000 0.000 0.260 355 L C 1.104 177.986 176.870 0.019 0.000 1.209 355 L CA -0.333 54.515 54.840 0.013 0.000 0.817 355 L CB 0.226 42.290 42.059 0.009 0.000 1.106 355 L HN 0.141 nan 8.230 nan 0.000 0.479 356 T N -2.584 111.980 114.554 0.016 0.000 2.828 356 T HA 0.103 4.453 4.350 -0.000 0.000 0.290 356 T C 0.922 175.646 174.700 0.040 0.000 1.019 356 T CA -0.646 61.468 62.100 0.024 0.000 1.031 356 T CB 1.159 70.036 68.868 0.016 0.000 1.001 356 T HN 0.670 nan 8.240 nan 0.000 0.531 357 K N 0.360 120.798 120.400 0.064 0.000 2.074 357 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 357 K C 1.977 178.625 176.600 0.080 0.000 1.048 357 K CA 2.021 58.386 56.287 0.130 0.000 0.926 357 K CB -0.216 32.367 32.500 0.138 0.000 0.713 357 K HN 0.697 nan 8.250 nan 0.000 0.444 358 E N 0.659 120.874 120.200 0.025 0.000 2.077 358 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 358 E C 1.822 178.379 176.600 -0.070 0.000 0.989 358 E CA 1.453 57.835 56.400 -0.031 0.000 0.800 358 E CB 0.016 29.708 29.700 -0.013 0.000 0.746 358 E HN 0.395 nan 8.360 nan 0.000 0.452 359 E N 0.120 120.296 120.200 -0.040 0.000 2.110 359 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 359 E C 2.135 178.690 176.600 -0.074 0.000 0.988 359 E CA 0.724 57.096 56.400 -0.047 0.000 0.804 359 E CB -0.009 29.678 29.700 -0.022 0.000 0.745 359 E HN 0.114 nan 8.360 nan 0.000 0.458 360 R N 0.261 120.723 120.500 -0.064 0.000 2.075 360 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 360 R C 2.483 178.640 176.300 -0.239 0.000 1.126 360 R CA 0.875 56.928 56.100 -0.079 0.000 0.963 360 R CB -0.366 29.958 30.300 0.039 0.000 0.858 360 R HN 0.129 nan 8.270 nan 0.000 0.435 361 L N 1.783 122.746 121.223 -0.434 0.000 2.012 361 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 361 L C 2.226 178.882 176.870 -0.356 0.000 1.073 361 L CA 1.919 56.347 54.840 -0.685 0.000 0.748 361 L CB -0.461 41.135 42.059 -0.772 0.000 0.891 361 L HN 0.008 nan 8.230 nan 0.000 0.431 362 K N -0.422 119.843 120.400 -0.224 0.000 2.009 362 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 362 K C 2.170 178.684 176.600 -0.143 0.000 1.049 362 K CA 1.982 58.183 56.287 -0.143 0.000 0.929 362 K CB -0.121 32.323 32.500 -0.093 0.000 0.714 362 K HN 0.356 nan 8.250 nan 0.000 0.440 363 K N 0.194 120.506 120.400 -0.147 0.000 2.097 363 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 363 K C 2.133 178.598 176.600 -0.225 0.000 1.049 363 K CA 1.193 57.395 56.287 -0.141 0.000 0.933 363 K CB -0.126 32.312 32.500 -0.104 0.000 0.717 363 K HN 0.054 nan 8.250 nan 0.000 0.442 364 L N 0.804 121.839 121.223 -0.314 0.000 2.027 364 L HA -0.204 4.136 4.340 -0.000 0.000 0.206 364 L C 2.446 178.893 176.870 -0.705 0.000 1.074 364 L CA 1.542 56.029 54.840 -0.587 0.000 0.745 364 L CB -0.619 41.136 42.059 -0.506 0.000 0.898 364 L HN 0.238 nan 8.230 nan 0.000 0.433 365 C N -0.792 118.320 119.300 -0.314 0.000 2.429 365 C HA -0.149 4.310 4.460 -0.000 0.000 0.277 365 C C 2.652 177.623 174.990 -0.032 0.000 1.262 365 C CA 0.557 59.541 59.018 -0.057 0.000 1.733 365 C CB -0.748 27.007 27.740 0.024 0.000 2.010 365 C HN 0.544 nan 8.230 nan 0.000 0.483 366 E N 0.321 120.471 120.200 -0.082 0.000 2.077 366 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 366 E C 1.987 178.554 176.600 -0.054 0.000 0.989 366 E CA 1.077 57.449 56.400 -0.047 0.000 0.800 366 E CB -0.261 29.409 29.700 -0.050 0.000 0.746 366 E HN 0.541 nan 8.360 nan 0.000 0.452 367 L N 0.221 121.364 121.223 -0.133 0.000 1.994 367 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 367 L C 2.005 178.874 176.870 -0.000 0.000 1.071 367 L CA 1.727 56.497 54.840 -0.118 0.000 0.745 367 L CB -0.596 41.349 42.059 -0.190 0.000 0.892 367 L HN 0.203 nan 8.230 nan 0.000 0.431 368 Y N -0.586 119.698 120.300 -0.026 0.000 2.224 368 Y HA -0.243 4.307 4.550 -0.000 0.000 0.289 368 Y C 2.552 178.462 175.900 0.017 0.000 1.146 368 Y CA 0.314 58.403 58.100 -0.018 0.000 1.182 368 Y CB -0.510 37.977 38.460 0.045 0.000 0.983 368 Y HN 0.403 nan 8.280 nan 0.000 0.524 369 A N 0.519 123.452 122.820 0.188 0.000 1.908 369 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 369 A C 2.125 179.758 177.584 0.081 0.000 1.181 369 A CA 1.771 53.883 52.037 0.124 0.000 0.627 369 A CB -0.497 18.549 19.000 0.077 0.000 0.818 369 A HN 0.365 nan 8.150 nan 0.000 0.445 370 K N -0.637 119.787 120.400 0.039 0.000 2.001 370 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 370 K C 1.925 178.518 176.600 -0.012 0.000 1.048 370 K CA 1.536 57.831 56.287 0.014 0.000 0.932 370 K CB -0.292 32.191 32.500 -0.028 0.000 0.715 370 K HN 0.307 nan 8.250 nan 0.000 0.437 371 V N 1.504 121.353 119.914 -0.108 0.000 2.379 371 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 371 V C 2.019 178.068 176.094 -0.075 0.000 1.044 371 V CA 1.481 63.678 62.300 -0.170 0.000 1.036 371 V CB -0.295 31.381 31.823 -0.244 0.000 0.664 371 V HN 0.270 nan 8.190 nan 0.000 0.453 372 L N 0.348 121.564 121.223 -0.012 0.000 2.509 372 L HA 0.313 4.653 4.340 -0.000 0.000 0.222 372 L C 1.650 178.655 176.870 0.226 0.000 1.123 372 L CA 0.756 55.629 54.840 0.055 0.000 0.856 372 L CB -0.605 41.563 42.059 0.182 0.000 0.985 372 L HN 0.530 nan 8.230 nan 0.000 0.456 373 G N 0.736 109.629 108.800 0.155 0.000 2.295 373 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 373 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 373 G C -0.062 174.928 174.900 0.150 0.000 1.055 373 G CA 0.433 45.624 45.100 0.151 0.000 0.922 373 G HN 0.341 nan 8.290 nan 0.000 0.503 374 S N -0.883 114.902 115.700 0.142 0.000 2.614 374 S HA 0.502 4.972 4.470 -0.000 0.000 0.288 374 S C 1.168 175.756 174.600 -0.020 0.000 1.137 374 S CA -0.775 57.470 58.200 0.075 0.000 0.992 374 S CB 1.852 65.148 63.200 0.160 0.000 1.026 374 S HN 0.223 nan 8.310 nan 0.000 0.486 375 L N 1.842 123.026 121.223 -0.066 0.000 2.275 375 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 375 L C 2.182 178.951 176.870 -0.168 0.000 1.119 375 L CA 1.167 55.961 54.840 -0.078 0.000 0.790 375 L CB -0.354 41.671 42.059 -0.056 0.000 0.919 375 L HN 0.700 nan 8.230 nan 0.000 0.443 376 E N 0.447 120.421 120.200 -0.378 0.000 2.209 376 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 376 E C 2.221 178.457 176.600 -0.606 0.000 0.993 376 E CA 1.012 57.018 56.400 -0.656 0.000 0.819 376 E CB -0.118 28.823 29.700 -1.265 0.000 0.745 376 E HN 0.508 nan 8.360 nan 0.000 0.477 377 A N 0.536 123.122 122.820 -0.391 0.000 2.172 377 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 377 A C 1.845 179.615 177.584 0.309 0.000 1.154 377 A CA 0.701 52.804 52.037 0.110 0.000 0.701 377 A CB -0.274 18.908 19.000 0.303 0.000 0.789 377 A HN 0.171 nan 8.150 nan 0.000 0.465 378 L N -1.189 120.113 121.223 0.133 0.000 2.591 378 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 378 L C 0.488 177.439 176.870 0.135 0.000 1.133 378 L CA 0.302 55.212 54.840 0.118 0.000 0.880 378 L CB 0.013 42.099 42.059 0.045 0.000 1.033 378 L HN 0.265 nan 8.230 nan 0.000 0.450 379 E N 1.004 121.333 120.200 0.215 0.000 3.588 379 E HA 0.185 4.535 4.350 -0.000 0.000 0.213 379 E C -2.249 174.515 176.600 0.272 0.000 1.168 379 E CA -1.736 54.778 56.400 0.190 0.000 1.254 379 E CB 0.753 30.525 29.700 0.120 0.000 1.302 379 E HN 0.057 nan 8.360 nan 0.000 0.429 380 P HA -0.039 nan 4.420 nan 0.000 0.271 380 P C 0.774 178.104 177.300 0.049 0.000 1.218 380 P CA -0.032 63.035 63.100 -0.055 0.000 0.780 380 P CB 1.627 33.261 31.700 -0.111 0.000 0.901 381 V N -1.437 118.525 119.914 0.080 0.000 3.565 381 V HA 0.297 4.417 4.120 -0.000 0.000 0.260 381 V C 0.476 176.694 176.094 0.206 0.000 1.231 381 V CA 0.816 63.198 62.300 0.137 0.000 1.100 381 V CB -1.182 30.727 31.823 0.142 0.000 0.807 381 V HN 0.675 nan 8.190 nan 0.000 0.454 382 H N -1.173 117.963 119.070 0.111 0.000 2.987 382 H HA 0.613 5.169 4.556 -0.000 0.000 0.316 382 H C -2.297 173.235 175.328 0.340 0.000 1.380 382 H CA -0.689 55.439 56.048 0.135 0.000 1.160 382 H CB 1.952 31.685 29.762 -0.048 0.000 1.865 382 H HN 0.156 nan 8.280 nan 0.000 0.521 383 Y N 1.803 121.837 120.300 -0.444 0.000 2.441 383 Y HA 0.484 5.034 4.550 -0.000 0.000 0.334 383 Y C -1.670 174.113 175.900 -0.196 0.000 1.061 383 Y CA -0.618 57.400 58.100 -0.136 0.000 1.032 383 Y CB 1.633 40.027 38.460 -0.109 0.000 1.266 383 Y HN 0.624 nan 8.280 nan 0.000 0.441 384 E N 4.424 124.368 120.200 -0.425 0.000 2.343 384 E HA 0.456 4.806 4.350 -0.000 0.000 0.270 384 E C -1.447 174.793 176.600 -0.599 0.000 0.895 384 E CA -0.832 55.328 56.400 -0.401 0.000 0.767 384 E CB 2.881 32.588 29.700 0.012 0.000 1.248 384 E HN 0.766 nan 8.360 nan 0.000 0.440 385 E N 0.294 120.262 120.200 -0.387 0.000 2.407 385 E HA 0.647 4.997 4.350 -0.000 0.000 0.279 385 E C -1.324 175.235 176.600 -0.069 0.000 1.012 385 E CA -1.054 55.210 56.400 -0.227 0.000 0.800 385 E CB 2.054 31.591 29.700 -0.272 0.000 1.276 385 E HN 0.100 nan 8.360 nan 0.000 0.452 386 K N 1.544 121.953 120.400 0.016 0.000 2.615 386 K HA 0.324 4.644 4.320 -0.000 0.000 0.249 386 K C -1.788 174.791 176.600 -0.035 0.000 0.977 386 K CA -0.592 55.648 56.287 -0.078 0.000 0.833 386 K CB 1.514 33.925 32.500 -0.148 0.000 1.208 386 K HN 0.544 nan 8.250 nan 0.000 0.443 387 N N 4.142 122.788 118.700 -0.089 0.000 2.415 387 N HA 0.103 4.843 4.740 -0.000 0.000 0.246 387 N C -0.152 175.318 175.510 -0.066 0.000 1.078 387 N CA -0.203 52.850 53.050 0.004 0.000 0.942 387 N CB 0.267 38.762 38.487 0.013 0.000 1.140 387 N HN 0.667 nan 8.380 nan 0.000 0.501 388 W N 2.194 123.539 121.300 0.075 0.000 2.800 388 W HA 0.052 4.712 4.660 -0.000 0.000 0.249 388 W C 2.010 178.552 176.519 0.037 0.000 1.294 388 W CA -0.081 57.303 57.345 0.065 0.000 1.402 388 W CB -0.142 29.373 29.460 0.092 0.000 1.126 388 W HN 0.587 nan 8.180 nan 0.000 0.652 389 C N 0.416 119.829 119.300 0.188 0.000 2.419 389 C HA -0.164 4.296 4.460 -0.000 0.000 0.283 389 C C 2.356 177.379 174.990 0.055 0.000 1.373 389 C CA 1.473 60.556 59.018 0.109 0.000 1.781 389 C CB -1.438 26.348 27.740 0.076 0.000 1.886 389 C HN 0.492 nan 8.230 nan 0.000 0.520 390 E N 0.723 120.935 120.200 0.021 0.000 2.489 390 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 390 E C -0.116 176.463 176.600 -0.036 0.000 1.057 390 E CA 0.355 56.742 56.400 -0.020 0.000 0.866 390 E CB -0.155 29.519 29.700 -0.044 0.000 0.916 390 E HN 0.490 nan 8.360 nan 0.000 0.500 391 E N 2.176 122.374 120.200 -0.004 0.000 2.129 391 E HA -0.012 4.338 4.350 -0.000 0.000 0.283 391 E C 0.476 177.066 176.600 -0.016 0.000 1.080 391 E CA -0.020 56.384 56.400 0.005 0.000 0.867 391 E CB 1.518 31.278 29.700 0.101 0.000 1.056 391 E HN 0.359 nan 8.360 nan 0.000 0.404 392 Q N 2.955 122.687 119.800 -0.115 0.000 2.135 392 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 392 Q C 0.344 176.114 176.000 -0.383 0.000 0.981 392 Q CA 1.672 57.290 55.803 -0.308 0.000 0.856 392 Q CB 0.084 28.513 28.738 -0.514 0.000 0.902 392 Q HN 0.594 nan 8.270 nan 0.000 0.425 393 Y N -0.962 119.369 120.300 0.052 0.000 2.571 393 Y HA 0.260 4.810 4.550 -0.000 0.000 0.275 393 Y C 1.409 177.370 175.900 0.102 0.000 1.179 393 Y CA -0.297 57.842 58.100 0.066 0.000 1.242 393 Y CB 0.906 39.398 38.460 0.052 0.000 1.126 393 Y HN 0.077 nan 8.280 nan 0.000 0.524 394 S N -1.645 114.179 115.700 0.208 0.000 3.039 394 S HA 0.312 4.782 4.470 -0.000 0.000 0.251 394 S C 1.794 176.476 174.600 0.136 0.000 1.064 394 S CA 0.522 58.850 58.200 0.214 0.000 0.822 394 S CB 0.602 64.010 63.200 0.346 0.000 0.802 394 S HN 0.496 nan 8.310 nan 0.000 0.519 395 G N 0.996 109.860 108.800 0.107 0.000 2.195 395 G HA2 0.131 4.091 3.960 -0.000 0.000 0.246 395 G HA3 0.131 4.091 3.960 -0.000 0.000 0.246 395 G C 0.482 175.425 174.900 0.073 0.000 0.984 395 G CA 0.055 45.186 45.100 0.053 0.000 0.633 395 G HN 1.394 nan 8.290 nan 0.000 0.525 396 G N -2.302 106.581 108.800 0.138 0.000 2.350 396 G HA2 0.516 4.476 3.960 -0.000 0.000 0.282 396 G HA3 0.516 4.476 3.960 -0.000 0.000 0.282 396 G C -0.990 173.985 174.900 0.126 0.000 1.314 396 G CA 0.318 45.504 45.100 0.143 0.000 0.915 396 G HN 1.505 nan 8.290 nan 0.000 0.499 397 C N -1.592 117.731 119.300 0.038 0.000 3.285 397 C HA 0.590 5.050 4.460 -0.000 0.000 0.325 397 C C 0.767 175.600 174.990 -0.263 0.000 1.304 397 C CA -0.655 58.316 59.018 -0.078 0.000 1.319 397 C CB 0.747 28.355 27.740 -0.219 0.000 1.640 397 C HN 0.736 nan 8.230 nan 0.000 0.477 398 Y N 0.666 120.904 120.300 -0.103 0.000 2.337 398 Y HA 0.231 4.781 4.550 -0.000 0.000 0.293 398 Y C 1.581 177.454 175.900 -0.045 0.000 1.123 398 Y CA 1.201 59.213 58.100 -0.148 0.000 1.201 398 Y CB -0.403 37.946 38.460 -0.185 0.000 1.011 398 Y HN 0.687 nan 8.280 nan 0.000 0.545 399 T N -1.917 112.721 114.554 0.141 0.000 2.671 399 T HA 0.338 4.688 4.350 -0.000 0.000 0.300 399 T C -0.843 173.964 174.700 0.178 0.000 1.238 399 T CA -0.712 61.513 62.100 0.208 0.000 1.020 399 T CB 1.061 70.148 68.868 0.364 0.000 1.503 399 T HN -0.153 nan 8.240 nan 0.000 0.497 400 T N 2.746 117.424 114.554 0.207 0.000 2.814 400 T HA 0.460 4.810 4.350 -0.000 0.000 0.297 400 T C -0.748 173.988 174.700 0.061 0.000 0.956 400 T CA 0.037 62.164 62.100 0.046 0.000 1.123 400 T CB -0.512 68.379 68.868 0.039 0.000 0.902 400 T HN 0.460 nan 8.240 nan 0.000 0.528 401 Y N 1.278 121.379 120.300 -0.332 0.000 2.453 401 Y HA 0.781 5.331 4.550 -0.000 0.000 0.326 401 Y C -1.137 174.197 175.900 -0.944 0.000 1.186 401 Y CA -2.203 55.332 58.100 -0.941 0.000 1.200 401 Y CB 0.668 38.712 38.460 -0.693 0.000 1.247 401 Y HN 0.395 nan 8.280 nan 0.000 0.482 402 F N 3.216 122.370 119.950 -1.327 0.000 2.388 402 F HA 0.550 5.077 4.527 -0.000 0.000 0.358 402 F C -2.303 173.382 175.800 -0.193 0.000 1.122 402 F CA -2.768 54.842 58.000 -0.649 0.000 1.056 402 F CB 1.437 40.103 39.000 -0.556 0.000 1.155 402 F HN 0.367 nan 8.300 nan 0.000 0.461 403 P HA 0.102 nan 4.420 nan 0.000 0.272 403 P C -2.526 174.865 177.300 0.152 0.000 1.240 403 P CA -1.144 62.026 63.100 0.117 0.000 0.791 403 P CB -0.134 31.588 31.700 0.038 0.000 0.978 404 P HA -0.051 nan 4.420 nan 0.000 0.262 404 P C 0.882 178.269 177.300 0.145 0.000 1.182 404 P CA 1.294 64.490 63.100 0.161 0.000 0.761 404 P CB -0.057 31.721 31.700 0.130 0.000 0.795 405 G N 2.996 111.897 108.800 0.168 0.000 2.234 405 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.235 405 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.235 405 G C 0.762 175.779 174.900 0.196 0.000 0.997 405 G CA 0.069 45.262 45.100 0.154 0.000 0.623 405 G HN 0.424 nan 8.290 nan 0.000 0.514 406 I N 0.272 120.988 120.570 0.243 0.000 2.494 406 I HA 0.204 4.374 4.170 -0.000 0.000 0.250 406 I C 2.608 178.970 176.117 0.408 0.000 1.112 406 I CA 1.145 62.646 61.300 0.335 0.000 1.438 406 I CB -1.243 36.878 38.000 0.201 0.000 1.111 406 I HN 0.259 nan 8.210 nan 0.000 0.431 407 L N 1.197 122.647 121.223 0.378 0.000 2.042 407 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 407 L C 2.615 179.575 176.870 0.151 0.000 1.076 407 L CA 2.504 57.449 54.840 0.174 0.000 0.749 407 L CB -0.954 41.112 42.059 0.011 0.000 0.893 407 L HN 0.436 nan 8.230 nan 0.000 0.432 408 T N -4.382 110.266 114.554 0.155 0.000 2.904 408 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 408 T C 1.798 176.468 174.700 -0.049 0.000 1.059 408 T CA 0.868 63.028 62.100 0.101 0.000 1.137 408 T CB -0.291 68.638 68.868 0.102 0.000 0.879 408 T HN 0.336 nan 8.240 nan 0.000 0.467 409 Q N -0.108 119.662 119.800 -0.052 0.000 2.212 409 Q HA 0.130 4.470 4.340 -0.000 0.000 0.199 409 Q C 0.999 176.680 176.000 -0.531 0.000 0.950 409 Q CA 1.147 56.773 55.803 -0.295 0.000 0.863 409 Q CB 0.032 28.586 28.738 -0.306 0.000 0.944 409 Q HN 0.775 nan 8.270 nan 0.000 0.465 410 Y N -1.850 118.388 120.300 -0.104 0.000 2.499 410 Y HA 0.271 4.821 4.550 -0.000 0.000 0.253 410 Y C 1.978 177.762 175.900 -0.194 0.000 1.105 410 Y CA 0.062 58.083 58.100 -0.131 0.000 1.240 410 Y CB 0.164 38.588 38.460 -0.060 0.000 1.289 410 Y HN 0.075 nan 8.280 nan 0.000 0.534 411 G N 1.817 110.543 108.800 -0.123 0.000 2.469 411 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 411 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 411 G C 1.746 176.207 174.900 -0.733 0.000 1.150 411 G CA 1.242 46.176 45.100 -0.276 0.000 0.763 411 G HN 0.399 nan 8.290 nan 0.000 0.561 412 R N 0.377 120.112 120.500 -1.275 0.000 2.328 412 R HA 0.096 4.436 4.340 -0.000 0.000 0.207 412 R C 1.684 177.752 176.300 -0.387 0.000 1.056 412 R CA 0.971 56.413 56.100 -1.097 0.000 1.016 412 R CB -0.503 29.154 30.300 -1.071 0.000 0.872 412 R HN 0.296 nan 8.270 nan 0.000 0.471 413 V N 1.400 121.142 119.914 -0.288 0.000 2.951 413 V HA -0.076 4.044 4.120 -0.000 0.000 0.255 413 V C 2.444 178.442 176.094 -0.160 0.000 1.088 413 V CA 0.617 62.814 62.300 -0.173 0.000 1.109 413 V CB -0.323 31.424 31.823 -0.126 0.000 0.724 413 V HN 0.228 nan 8.190 nan 0.000 0.471 414 L N 0.941 122.107 121.223 -0.095 0.000 1.997 414 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 414 L C 2.493 179.314 176.870 -0.082 0.000 1.074 414 L CA 2.389 57.198 54.840 -0.052 0.000 0.763 414 L CB -0.274 41.853 42.059 0.113 0.000 0.890 414 L HN 0.459 nan 8.230 nan 0.000 0.434 415 R N -0.535 120.008 120.500 0.071 0.000 2.509 415 R HA 0.125 4.465 4.340 -0.000 0.000 0.300 415 R C 0.563 176.996 176.300 0.222 0.000 0.985 415 R CA -0.221 56.000 56.100 0.200 0.000 1.092 415 R CB -0.034 30.449 30.300 0.305 0.000 1.237 415 R HN 0.258 nan 8.270 nan 0.000 0.546 416 Q N 2.758 122.613 119.800 0.092 0.000 2.286 416 Q HA 0.189 4.528 4.340 -0.000 0.000 0.267 416 Q C -2.095 173.994 176.000 0.148 0.000 1.028 416 Q CA -2.072 53.783 55.803 0.087 0.000 0.901 416 Q CB 0.872 29.610 28.738 -0.001 0.000 1.183 416 Q HN 0.053 nan 8.270 nan 0.000 0.392 417 P HA -0.040 nan 4.420 nan 0.000 0.268 417 P C -1.234 176.052 177.300 -0.024 0.000 1.205 417 P CA -0.039 62.995 63.100 -0.110 0.000 0.771 417 P CB 0.676 32.046 31.700 -0.550 0.000 0.858 418 V N 3.744 123.672 119.914 0.024 0.000 2.259 418 V HA 0.143 4.263 4.120 -0.000 0.000 0.267 418 V C 0.730 176.789 176.094 -0.059 0.000 1.051 418 V CA 0.210 62.517 62.300 0.011 0.000 0.830 418 V CB -0.074 31.793 31.823 0.074 0.000 1.080 418 V HN 0.788 nan 8.190 nan 0.000 0.467 419 D N 4.072 124.437 120.400 -0.058 0.000 4.438 419 D HA -0.296 4.344 4.640 -0.000 0.000 0.158 419 D C 1.324 177.615 176.300 -0.015 0.000 0.686 419 D CA 2.330 56.316 54.000 -0.023 0.000 1.183 419 D CB -0.308 40.491 40.800 -0.001 0.000 0.623 419 D HN 0.551 nan 8.370 nan 0.000 0.521 420 R N -0.083 120.436 120.500 0.032 0.000 2.468 420 R HA 0.457 4.797 4.340 -0.000 0.000 0.280 420 R C -0.198 176.218 176.300 0.193 0.000 0.963 420 R CA -0.151 56.068 56.100 0.198 0.000 1.083 420 R CB 0.458 30.807 30.300 0.081 0.000 1.200 420 R HN 0.285 nan 8.270 nan 0.000 0.541 421 I N 1.277 121.814 120.570 -0.056 0.000 2.315 421 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 421 I C -0.556 175.260 176.117 -0.502 0.000 1.006 421 I CA -0.618 60.565 61.300 -0.195 0.000 1.265 421 I CB 0.628 38.477 38.000 -0.253 0.000 1.387 421 I HN -0.079 nan 8.210 nan 0.000 0.475 422 Y N 5.323 125.401 120.300 -0.371 0.000 2.528 422 Y HA 0.550 5.100 4.550 -0.000 0.000 0.335 422 Y C -0.536 175.065 175.900 -0.499 0.000 1.093 422 Y CA -0.729 57.197 58.100 -0.291 0.000 1.134 422 Y CB 1.530 39.928 38.460 -0.103 0.000 1.253 422 Y HN 0.279 nan 8.280 nan 0.000 0.478 423 F N 1.167 121.229 119.950 0.187 0.000 2.427 423 F HA 0.707 5.234 4.527 -0.000 0.000 0.348 423 F C 0.378 176.257 175.800 0.133 0.000 1.125 423 F CA -0.593 57.490 58.000 0.138 0.000 0.989 423 F CB 1.101 40.166 39.000 0.108 0.000 1.165 423 F HN 0.595 nan 8.300 nan 0.000 0.442 424 A N 2.251 125.220 122.820 0.250 0.000 3.444 424 A HA 0.953 5.273 4.320 -0.000 0.000 0.189 424 A C 0.375 178.091 177.584 0.220 0.000 1.542 424 A CA -0.420 51.730 52.037 0.189 0.000 0.867 424 A CB -0.014 19.054 19.000 0.113 0.000 1.712 424 A HN 1.508 nan 8.150 nan 0.000 0.556 425 G N -2.409 106.499 108.800 0.180 0.000 2.895 425 G HA2 0.098 4.058 3.960 -0.000 0.000 0.686 425 G HA3 0.098 4.058 3.960 -0.000 0.000 0.686 425 G C 0.439 175.470 174.900 0.219 0.000 1.108 425 G CA 0.643 45.857 45.100 0.190 0.000 0.761 425 G HN 1.613 nan 8.290 nan 0.000 0.611 426 T N 0.404 115.087 114.554 0.215 0.000 2.778 426 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 426 T C 2.111 177.010 174.700 0.332 0.000 1.050 426 T CA 2.797 65.050 62.100 0.256 0.000 1.137 426 T CB -0.174 68.840 68.868 0.244 0.000 0.860 426 T HN 0.646 nan 8.240 nan 0.000 0.468 427 E N 0.421 120.824 120.200 0.339 0.000 2.265 427 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 427 E C 2.256 179.114 176.600 0.429 0.000 0.996 427 E CA 1.575 58.227 56.400 0.420 0.000 0.832 427 E CB -0.215 29.700 29.700 0.357 0.000 0.756 427 E HN 0.737 nan 8.360 nan 0.000 0.491 428 T N -2.592 112.177 114.554 0.360 0.000 3.086 428 T HA 0.465 4.815 4.350 -0.000 0.000 0.250 428 T C 0.771 175.708 174.700 0.396 0.000 1.074 428 T CA 0.013 62.325 62.100 0.355 0.000 0.988 428 T CB 0.226 69.279 68.868 0.309 0.000 0.988 428 T HN 0.099 nan 8.240 nan 0.000 0.530 429 A N 1.750 124.808 122.820 0.397 0.000 2.313 429 A HA 0.555 4.875 4.320 -0.000 0.000 0.261 429 A C 1.523 179.376 177.584 0.448 0.000 1.090 429 A CA 0.061 52.335 52.037 0.396 0.000 0.807 429 A CB 0.412 19.604 19.000 0.320 0.000 1.055 429 A HN 0.474 nan 8.150 nan 0.000 0.492 430 T N -2.493 112.306 114.554 0.409 0.000 3.023 430 T HA 0.227 4.577 4.350 -0.000 0.000 0.253 430 T C 0.285 175.090 174.700 0.174 0.000 1.038 430 T CA 0.764 63.053 62.100 0.315 0.000 0.962 430 T CB -0.374 68.616 68.868 0.203 0.000 1.018 430 T HN 0.746 nan 8.240 nan 0.000 0.521 431 H N -1.169 117.930 119.070 0.048 0.000 3.018 431 H HA 0.289 4.845 4.556 -0.000 0.000 0.334 431 H C -1.038 174.307 175.328 0.028 0.000 0.983 431 H CA -1.213 54.785 56.048 -0.084 0.000 1.363 431 H CB 0.864 30.632 29.762 0.010 0.000 1.668 431 H HN 0.301 nan 8.280 nan 0.000 0.513 432 W N 2.249 123.362 121.300 -0.312 0.000 5.121 432 W HA -0.251 4.409 4.660 0.000 0.000 0.372 432 W C 0.416 176.875 176.519 -0.100 0.000 1.394 432 W CA 0.898 57.992 57.345 -0.417 0.000 0.885 432 W CB -1.633 27.502 29.460 -0.542 0.000 2.520 432 W HN 0.397 nan 8.180 nan 0.000 1.455 433 S N 0.511 116.251 115.700 0.067 0.000 2.552 433 S HA 0.382 4.852 4.470 -0.000 0.000 0.289 433 S C 1.391 176.206 174.600 0.360 0.000 1.304 433 S CA 1.730 60.080 58.200 0.251 0.000 1.063 433 S CB 0.778 64.186 63.200 0.347 0.000 0.848 433 S HN 1.404 nan 8.310 nan 0.000 0.499 434 G N 3.089 112.173 108.800 0.472 0.000 2.232 434 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 434 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 434 G C -0.195 174.849 174.900 0.240 0.000 0.996 434 G CA 0.253 45.642 45.100 0.481 0.000 0.626 434 G HN 0.677 nan 8.290 nan 0.000 0.509 435 Y N -0.428 119.988 120.300 0.193 0.000 2.631 435 Y HA 0.723 5.273 4.550 -0.000 0.000 0.328 435 Y C 2.005 177.945 175.900 0.068 0.000 1.118 435 Y CA -0.756 57.407 58.100 0.104 0.000 1.206 435 Y CB 0.772 39.273 38.460 0.069 0.000 1.337 435 Y HN -0.025 nan 8.280 nan 0.000 0.515 436 M N -0.134 119.571 119.600 0.174 0.000 2.149 436 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 436 M C 1.845 178.203 176.300 0.097 0.000 1.064 436 M CA 1.966 57.334 55.300 0.113 0.000 1.102 436 M CB -0.244 32.416 32.600 0.100 0.000 1.369 436 M HN 0.782 nan 8.290 nan 0.000 0.408 437 E N 0.731 120.964 120.200 0.056 0.000 2.058 437 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 437 E C 1.952 178.609 176.600 0.094 0.000 0.997 437 E CA 2.061 58.461 56.400 -0.001 0.000 0.801 437 E CB -0.665 28.906 29.700 -0.215 0.000 0.746 437 E HN 0.433 nan 8.360 nan 0.000 0.450 438 G N 0.020 108.928 108.800 0.180 0.000 2.432 438 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 438 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 438 G C 1.702 176.714 174.900 0.188 0.000 1.135 438 G CA 1.065 46.295 45.100 0.217 0.000 0.767 438 G HN 0.474 nan 8.290 nan 0.000 0.550 439 A N 0.237 123.155 122.820 0.164 0.000 1.902 439 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 439 A C 2.611 180.255 177.584 0.099 0.000 1.181 439 A CA 1.887 54.004 52.037 0.133 0.000 0.623 439 A CB -0.629 18.439 19.000 0.113 0.000 0.818 439 A HN 0.259 nan 8.150 nan 0.000 0.443 440 V N 0.088 120.051 119.914 0.082 0.000 2.295 440 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 440 V C 2.547 178.677 176.094 0.060 0.000 1.049 440 V CA 2.218 64.552 62.300 0.057 0.000 1.024 440 V CB -0.771 31.077 31.823 0.042 0.000 0.648 440 V HN 0.728 nan 8.190 nan 0.000 0.447 441 E N 0.410 120.664 120.200 0.090 0.000 2.058 441 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 441 E C 2.243 178.880 176.600 0.062 0.000 0.997 441 E CA 1.757 58.219 56.400 0.102 0.000 0.801 441 E CB -0.181 29.627 29.700 0.179 0.000 0.746 441 E HN 0.547 nan 8.360 nan 0.000 0.450 442 A N 0.603 123.482 122.820 0.099 0.000 1.930 442 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 442 A C 2.396 180.000 177.584 0.034 0.000 1.175 442 A CA 1.689 53.777 52.037 0.084 0.000 0.627 442 A CB -0.960 18.138 19.000 0.163 0.000 0.815 442 A HN 0.443 nan 8.150 nan 0.000 0.443 443 G N -0.438 108.387 108.800 0.041 0.000 2.404 443 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 443 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 443 G C 1.437 176.323 174.900 -0.023 0.000 1.174 443 G CA 0.919 46.031 45.100 0.019 0.000 0.780 443 G HN 0.635 nan 8.290 nan 0.000 0.537 444 E N -0.186 119.995 120.200 -0.031 0.000 2.106 444 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 444 E C 2.521 179.049 176.600 -0.120 0.000 0.984 444 E CA 0.332 56.698 56.400 -0.057 0.000 0.806 444 E CB -0.092 29.589 29.700 -0.032 0.000 0.750 444 E HN 0.303 nan 8.360 nan 0.000 0.458 445 R N 1.167 121.561 120.500 -0.177 0.000 2.066 445 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 445 R C 2.210 178.339 176.300 -0.285 0.000 1.131 445 R CA 1.351 57.239 56.100 -0.353 0.000 0.955 445 R CB -0.267 29.661 30.300 -0.619 0.000 0.851 445 R HN 0.126 nan 8.270 nan 0.000 0.432 446 A N 1.035 123.757 122.820 -0.162 0.000 1.940 446 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 446 A C 2.406 179.891 177.584 -0.166 0.000 1.176 446 A CA 1.838 53.820 52.037 -0.092 0.000 0.631 446 A CB -0.710 18.296 19.000 0.009 0.000 0.814 446 A HN 0.561 nan 8.150 nan 0.000 0.446 447 A N -0.301 122.433 122.820 -0.143 0.000 1.902 447 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 447 A C 2.252 179.718 177.584 -0.197 0.000 1.181 447 A CA 1.524 53.469 52.037 -0.154 0.000 0.623 447 A CB -0.448 18.495 19.000 -0.095 0.000 0.818 447 A HN 0.546 nan 8.150 nan 0.000 0.443 448 R N -0.493 119.897 120.500 -0.183 0.000 2.115 448 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 448 R C 2.047 178.232 176.300 -0.191 0.000 1.111 448 R CA 1.219 57.218 56.100 -0.169 0.000 0.976 448 R CB -0.248 29.960 30.300 -0.154 0.000 0.870 448 R HN 0.672 nan 8.270 nan 0.000 0.445 449 E N 0.664 120.714 120.200 -0.249 0.000 2.085 449 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 449 E C 1.967 178.275 176.600 -0.487 0.000 0.994 449 E CA 1.181 57.426 56.400 -0.259 0.000 0.801 449 E CB -0.087 29.498 29.700 -0.192 0.000 0.743 449 E HN 0.330 nan 8.360 nan 0.000 0.453 450 I N 0.935 121.084 120.570 -0.702 0.000 2.252 450 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 450 I C 2.335 178.127 176.117 -0.542 0.000 1.102 450 I CA 0.818 61.590 61.300 -0.879 0.000 1.385 450 I CB -0.157 37.366 38.000 -0.796 0.000 1.064 450 I HN 0.118 nan 8.210 nan 0.000 0.414 451 L N -0.029 121.007 121.223 -0.313 0.000 2.042 451 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 451 L C 2.722 179.521 176.870 -0.118 0.000 1.076 451 L CA 1.720 56.454 54.840 -0.177 0.000 0.749 451 L CB -0.926 41.067 42.059 -0.111 0.000 0.893 451 L HN 0.378 nan 8.230 nan 0.000 0.432 452 H N 0.079 119.040 119.070 -0.181 0.000 2.326 452 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 452 H C 2.121 177.390 175.328 -0.100 0.000 1.081 452 H CA 1.512 57.495 56.048 -0.110 0.000 1.334 452 H CB 0.018 29.734 29.762 -0.077 0.000 1.385 452 H HN 0.249 nan 8.280 nan 0.000 0.504 453 A N 0.373 123.025 122.820 -0.280 0.000 2.076 453 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 453 A C 2.225 179.712 177.584 -0.162 0.000 1.160 453 A CA 1.703 53.592 52.037 -0.247 0.000 0.653 453 A CB -0.636 18.229 19.000 -0.225 0.000 0.801 453 A HN 0.577 nan 8.150 nan 0.000 0.455 454 M N -1.472 118.018 119.600 -0.184 0.000 2.561 454 M HA 0.168 4.648 4.480 -0.000 0.000 0.238 454 M C 1.312 177.570 176.300 -0.069 0.000 1.131 454 M CA 0.723 55.987 55.300 -0.061 0.000 1.046 454 M CB 0.254 32.825 32.600 -0.049 0.000 1.532 454 M HN 0.600 nan 8.290 nan 0.000 0.497 455 G N 1.164 109.885 108.800 -0.132 0.000 2.143 455 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.248 455 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.248 455 G C 0.861 175.731 174.900 -0.049 0.000 0.991 455 G CA 0.495 45.534 45.100 -0.101 0.000 0.689 455 G HN 0.467 nan 8.290 nan 0.000 0.522 456 K N -0.550 119.822 120.400 -0.046 0.000 2.262 456 K HA 0.302 4.622 4.320 -0.000 0.000 0.200 456 K C 1.305 177.905 176.600 -0.001 0.000 1.049 456 K CA 1.304 57.577 56.287 -0.024 0.000 0.979 456 K CB 0.268 32.747 32.500 -0.035 0.000 0.773 456 K HN 0.814 nan 8.250 nan 0.000 0.474 457 I N -1.844 118.741 120.570 0.025 0.000 2.865 457 I HA 0.424 4.594 4.170 -0.000 0.000 0.302 457 I C -2.973 173.230 176.117 0.144 0.000 1.140 457 I CA -3.026 58.309 61.300 0.057 0.000 1.021 457 I CB 2.297 40.316 38.000 0.032 0.000 1.233 457 I HN -0.255 nan 8.210 nan 0.000 0.427 458 P HA 0.075 nan 4.420 nan 0.000 0.271 458 P C 0.306 177.642 177.300 0.059 0.000 1.218 458 P CA 0.035 63.217 63.100 0.135 0.000 0.780 458 P CB 1.158 32.899 31.700 0.068 0.000 0.901 459 E N 1.110 121.264 120.200 -0.076 0.000 2.147 459 E HA -0.325 4.025 4.350 -0.000 0.000 0.199 459 E C 1.195 177.715 176.600 -0.132 0.000 1.005 459 E CA 1.561 57.712 56.400 -0.414 0.000 0.810 459 E CB -0.212 29.304 29.700 -0.306 0.000 0.736 459 E HN 0.402 nan 8.360 nan 0.000 0.460 460 D N 0.504 120.884 120.400 -0.032 0.000 2.244 460 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 460 D C 1.121 177.442 176.300 0.035 0.000 1.006 460 D CA 1.373 55.383 54.000 0.016 0.000 0.888 460 D CB -0.030 40.784 40.800 0.022 0.000 0.912 460 D HN 0.339 nan 8.370 nan 0.000 0.452 461 E N -1.305 118.903 120.200 0.013 0.000 2.481 461 E HA 0.161 4.511 4.350 -0.000 0.000 0.198 461 E C 1.974 178.571 176.600 -0.004 0.000 1.027 461 E CA -0.339 56.072 56.400 0.019 0.000 0.900 461 E CB 0.458 30.166 29.700 0.013 0.000 0.993 461 E HN 0.337 nan 8.360 nan 0.000 0.482 462 I N -0.048 120.508 120.570 -0.024 0.000 2.179 462 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 462 I C 0.392 176.384 176.117 -0.208 0.000 1.088 462 I CA 1.137 62.358 61.300 -0.131 0.000 1.357 462 I CB 0.083 37.995 38.000 -0.146 0.000 1.051 462 I HN 0.116 nan 8.210 nan 0.000 0.409 463 W N 1.524 122.822 121.300 -0.002 0.000 2.314 463 W HA 0.516 5.176 4.660 -0.000 0.000 0.310 463 W C -0.049 176.477 176.519 0.013 0.000 1.075 463 W CA -0.259 57.096 57.345 0.017 0.000 1.253 463 W CB 0.619 30.091 29.460 0.020 0.000 1.238 463 W HN -0.057 nan 8.180 nan 0.000 0.440 464 Q N 2.117 122.033 119.800 0.194 0.000 2.340 464 Q HA 0.389 4.729 4.340 -0.000 0.000 0.268 464 Q C 0.216 176.295 176.000 0.131 0.000 1.031 464 Q CA -0.571 55.306 55.803 0.124 0.000 0.804 464 Q CB 1.945 30.721 28.738 0.063 0.000 1.286 464 Q HN 0.550 nan 8.270 nan 0.000 0.448 465 S N 1.829 117.592 115.700 0.105 0.000 2.600 465 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 465 S C -0.211 174.436 174.600 0.078 0.000 1.325 465 S CA -0.589 57.666 58.200 0.092 0.000 1.002 465 S CB 1.333 64.572 63.200 0.064 0.000 0.921 465 S HN 0.608 nan 8.310 nan 0.000 0.554 466 E N 0.846 121.094 120.200 0.080 0.000 2.199 466 E HA 0.588 4.938 4.350 -0.000 0.000 0.265 466 E C -2.802 173.831 176.600 0.055 0.000 0.882 466 E CA -2.130 54.310 56.400 0.067 0.000 0.759 466 E CB 1.048 30.796 29.700 0.079 0.000 1.148 466 E HN 0.558 nan 8.360 nan 0.000 0.412 467 P HA 0.103 nan 4.420 nan 0.000 0.271 467 P C -0.765 176.555 177.300 0.032 0.000 1.216 467 P CA -0.267 62.853 63.100 0.032 0.000 0.776 467 P CB 0.568 32.283 31.700 0.025 0.000 0.881 468 E N 1.534 121.751 120.200 0.029 0.000 2.414 468 E HA 0.069 4.419 4.350 -0.000 0.000 0.263 468 E C -0.089 176.522 176.600 0.018 0.000 1.000 468 E CA -0.202 56.213 56.400 0.026 0.000 0.914 468 E CB 0.396 30.110 29.700 0.023 0.000 0.948 468 E HN 0.377 nan 8.360 nan 0.000 0.444 469 S N 2.911 118.618 115.700 0.013 0.000 2.546 469 S HA -0.044 4.426 4.470 -0.000 0.000 0.290 469 S C 1.193 175.797 174.600 0.007 0.000 1.290 469 S CA -0.101 58.103 58.200 0.008 0.000 1.069 469 S CB 0.843 64.043 63.200 -0.001 0.000 0.846 469 S HN 0.521 nan 8.310 nan 0.000 0.495 470 V N 2.173 122.093 119.914 0.009 0.000 2.719 470 V HA 0.030 4.150 4.120 -0.000 0.000 0.252 470 V C 1.523 177.621 176.094 0.007 0.000 1.065 470 V CA 1.564 63.869 62.300 0.008 0.000 1.086 470 V CB -0.594 31.235 31.823 0.010 0.000 0.700 470 V HN 0.837 nan 8.190 nan 0.000 0.467 471 D N 1.155 121.559 120.400 0.007 0.000 2.194 471 D HA 0.051 4.691 4.640 -0.000 0.000 0.204 471 D C 0.801 177.097 176.300 -0.005 0.000 0.964 471 D CA 1.314 55.318 54.000 0.006 0.000 0.846 471 D CB 0.540 41.349 40.800 0.014 0.000 0.962 471 D HN 0.526 nan 8.370 nan 0.000 0.490 472 V N 3.722 123.628 119.914 -0.014 0.000 2.271 472 V HA 0.204 4.324 4.120 -0.000 0.000 0.259 472 V C -2.363 173.718 176.094 -0.022 0.000 1.030 472 V CA -1.337 60.946 62.300 -0.029 0.000 0.957 472 V CB 1.053 32.842 31.823 -0.058 0.000 1.186 472 V HN -0.040 nan 8.190 nan 0.000 0.471 473 P HA 0.356 nan 4.420 nan 0.000 0.275 473 P C -0.357 176.940 177.300 -0.006 0.000 1.228 473 P CA 0.052 63.149 63.100 -0.005 0.000 0.786 473 P CB 1.558 33.257 31.700 -0.001 0.000 0.927 474 A N 3.340 126.162 122.820 0.003 0.000 2.260 474 A HA 0.309 4.629 4.320 -0.000 0.000 0.308 474 A C 0.282 177.869 177.584 0.005 0.000 1.254 474 A CA -0.515 51.527 52.037 0.007 0.000 0.874 474 A CB 0.153 19.168 19.000 0.024 0.000 1.153 474 A HN 0.434 nan 8.150 nan 0.000 0.527 475 Q N 2.764 122.565 119.800 0.001 0.000 2.293 475 Q HA 0.339 4.679 4.340 -0.000 0.000 0.251 475 Q C -2.265 173.735 176.000 -0.000 0.000 0.930 475 Q CA -1.737 54.066 55.803 0.000 0.000 0.893 475 Q CB 0.865 29.602 28.738 -0.002 0.000 1.215 475 Q HN 0.567 nan 8.270 nan 0.000 0.425 476 P HA 0.181 nan 4.420 nan 0.000 0.274 476 P C -0.342 176.953 177.300 -0.009 0.000 1.231 476 P CA -0.387 62.709 63.100 -0.006 0.000 0.790 476 P CB 0.782 32.478 31.700 -0.007 0.000 0.951 477 I N 2.274 122.834 120.570 -0.017 0.000 2.337 477 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 477 I C 1.191 177.296 176.117 -0.020 0.000 1.046 477 I CA 0.180 61.468 61.300 -0.019 0.000 1.324 477 I CB -0.093 37.888 38.000 -0.032 0.000 1.409 477 I HN 0.397 nan 8.210 nan 0.000 0.494 478 T N 2.184 116.731 114.554 -0.011 0.000 2.918 478 T HA 0.761 5.111 4.350 -0.000 0.000 0.286 478 T C 0.117 174.808 174.700 -0.016 0.000 1.026 478 T CA -0.690 61.404 62.100 -0.010 0.000 1.031 478 T CB 2.036 70.905 68.868 0.001 0.000 1.046 478 T HN 0.629 nan 8.240 nan 0.000 0.479 479 T N -0.867 113.673 114.554 -0.023 0.000 2.932 479 T HA 0.723 5.073 4.350 -0.000 0.000 0.289 479 T C 0.397 175.094 174.700 -0.005 0.000 1.039 479 T CA -0.745 61.332 62.100 -0.037 0.000 1.024 479 T CB 1.291 70.113 68.868 -0.077 0.000 1.090 479 T HN 0.978 nan 8.240 nan 0.000 0.496 480 T N -0.569 113.985 114.554 0.001 0.000 2.881 480 T HA 0.412 4.762 4.350 -0.000 0.000 0.278 480 T C 0.813 175.564 174.700 0.086 0.000 0.982 480 T CA -0.875 61.262 62.100 0.060 0.000 0.989 480 T CB 0.661 69.570 68.868 0.069 0.000 1.058 480 T HN 0.529 nan 8.240 nan 0.000 0.529 481 F N 0.630 120.599 119.950 0.033 0.000 2.095 481 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 481 F C 1.948 177.815 175.800 0.112 0.000 1.104 481 F CA 1.394 59.452 58.000 0.097 0.000 1.232 481 F CB -0.513 38.546 39.000 0.098 0.000 0.987 481 F HN 0.493 nan 8.300 nan 0.000 0.475 482 L N 0.022 121.332 121.223 0.146 0.000 2.046 482 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 482 L C 2.421 179.265 176.870 -0.044 0.000 1.077 482 L CA 1.672 56.541 54.840 0.048 0.000 0.747 482 L CB -0.734 41.404 42.059 0.131 0.000 0.896 482 L HN 0.165 nan 8.230 nan 0.000 0.432 483 E N -0.234 119.940 120.200 -0.043 0.000 2.118 483 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 483 E C 2.357 178.841 176.600 -0.194 0.000 0.992 483 E CA 1.191 57.531 56.400 -0.099 0.000 0.804 483 E CB 0.055 29.693 29.700 -0.103 0.000 0.741 483 E HN 0.344 nan 8.360 nan 0.000 0.458 484 R N -0.840 119.477 120.500 -0.304 0.000 2.119 484 R HA -0.025 4.315 4.340 -0.000 0.000 0.222 484 R C 1.637 177.553 176.300 -0.641 0.000 1.088 484 R CA 0.953 56.745 56.100 -0.514 0.000 0.984 484 R CB 0.140 30.017 30.300 -0.704 0.000 0.884 484 R HN 0.288 nan 8.270 nan 0.000 0.447 485 H N -0.922 117.951 119.070 -0.328 0.000 3.046 485 H HA 0.200 4.756 4.556 -0.000 0.000 0.262 485 H C 0.289 175.500 175.328 -0.195 0.000 1.044 485 H CA -0.187 55.667 56.048 -0.323 0.000 1.209 485 H CB 0.524 29.939 29.762 -0.578 0.000 1.507 485 H HN 0.018 nan 8.280 nan 0.000 0.507 486 L N 4.608 125.796 121.223 -0.059 0.000 2.525 486 L HA 0.046 4.386 4.340 -0.000 0.000 0.278 486 L C -1.662 175.189 176.870 -0.032 0.000 1.218 486 L CA -1.342 53.490 54.840 -0.014 0.000 0.878 486 L CB 0.283 42.363 42.059 0.035 0.000 1.127 486 L HN -0.016 nan 8.230 nan 0.000 0.492 487 P HA 0.114 nan 4.420 nan 0.000 0.274 487 P C -0.539 176.721 177.300 -0.067 0.000 1.237 487 P CA -0.578 62.492 63.100 -0.049 0.000 0.793 487 P CB 1.018 32.688 31.700 -0.050 0.000 0.977 488 S N 0.179 115.822 115.700 -0.095 0.000 2.626 488 S HA 0.085 4.555 4.470 -0.000 0.000 0.257 488 S C 1.503 175.978 174.600 -0.209 0.000 1.288 488 S CA -0.507 57.614 58.200 -0.132 0.000 0.980 488 S CB -0.400 62.721 63.200 -0.132 0.000 0.975 488 S HN 0.217 nan 8.310 nan 0.000 0.577 489 V N 2.351 122.073 119.914 -0.319 0.000 2.261 489 V HA -0.063 4.057 4.120 -0.000 0.000 0.246 489 V C -0.444 175.244 176.094 -0.677 0.000 1.047 489 V CA 1.861 63.877 62.300 -0.473 0.000 1.015 489 V CB -1.957 29.556 31.823 -0.516 0.000 0.642 489 V HN 0.794 nan 8.190 nan 0.000 0.446 490 P HA -0.127 nan 4.420 nan 0.000 0.218 490 P C 1.724 178.832 177.300 -0.320 0.000 1.148 490 P CA 2.029 64.707 63.100 -0.703 0.000 0.822 490 P CB -0.295 31.120 31.700 -0.476 0.000 0.784 491 G N 0.387 109.042 108.800 -0.242 0.000 2.408 491 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 491 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 491 G C 1.522 176.348 174.900 -0.123 0.000 1.150 491 G CA 0.488 45.505 45.100 -0.139 0.000 0.776 491 G HN 0.259 nan 8.290 nan 0.000 0.542 492 L N 0.307 121.440 121.223 -0.149 0.000 2.093 492 L HA 0.178 4.518 4.340 -0.000 0.000 0.208 492 L C 2.618 179.423 176.870 -0.108 0.000 1.085 492 L CA 1.189 55.962 54.840 -0.111 0.000 0.755 492 L CB -0.233 41.763 42.059 -0.106 0.000 0.904 492 L HN 0.181 nan 8.230 nan 0.000 0.435 493 L N -0.943 120.185 121.223 -0.157 0.000 2.141 493 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 493 L C 2.729 179.552 176.870 -0.078 0.000 1.094 493 L CA 0.863 55.630 54.840 -0.123 0.000 0.763 493 L CB -0.586 41.369 42.059 -0.173 0.000 0.908 493 L HN 0.219 nan 8.230 nan 0.000 0.437 494 R N -0.310 120.141 120.500 -0.082 0.000 2.090 494 R HA -0.092 4.248 4.340 -0.000 0.000 0.228 494 R C 2.138 178.417 176.300 -0.036 0.000 1.110 494 R CA 0.959 57.031 56.100 -0.047 0.000 0.973 494 R CB -0.394 29.880 30.300 -0.044 0.000 0.869 494 R HN 0.227 nan 8.270 nan 0.000 0.440 495 L N 0.793 121.990 121.223 -0.043 0.000 2.275 495 L HA -0.014 4.326 4.340 -0.000 0.000 0.215 495 L C 1.161 178.016 176.870 -0.024 0.000 1.119 495 L CA 1.214 56.036 54.840 -0.030 0.000 0.790 495 L CB -0.157 41.883 42.059 -0.032 0.000 0.919 495 L HN 0.015 nan 8.230 nan 0.000 0.443 496 I N 0.000 120.553 120.570 -0.029 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 496 I CB 0.000 37.986 38.000 -0.023 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494