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 2bk3_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.521 175.510 0.019 0.000 1.280 3 N CA 0.000 52.971 53.050 -0.131 0.000 0.885 3 N CB 0.000 38.431 38.487 -0.094 0.000 1.341 4 K N 1.852 122.272 120.400 0.034 0.000 2.159 4 K HA 0.619 4.939 4.320 -0.000 0.000 0.266 4 K C 0.155 176.795 176.600 0.067 0.000 0.975 4 K CA -0.450 55.866 56.287 0.049 0.000 0.865 4 K CB 2.019 34.532 32.500 0.022 0.000 1.087 4 K HN 0.611 nan 8.250 nan 0.000 0.446 5 C N -1.187 118.155 119.300 0.071 0.000 3.336 5 C HA 0.423 4.883 4.460 -0.000 0.000 0.339 5 C C 0.783 175.806 174.990 0.054 0.000 1.468 5 C CA -0.774 58.284 59.018 0.066 0.000 1.287 5 C CB 1.076 28.865 27.740 0.081 0.000 1.682 5 C HN 0.802 nan 8.230 nan 0.000 0.451 6 D N 0.334 120.769 120.400 0.058 0.000 2.120 6 D HA 0.104 4.744 4.640 -0.000 0.000 0.202 6 D C 0.390 176.749 176.300 0.099 0.000 0.972 6 D CA 1.740 55.782 54.000 0.071 0.000 0.837 6 D CB 0.165 41.006 40.800 0.069 0.000 0.989 6 D HN 0.498 nan 8.370 nan 0.000 0.469 7 V N 1.294 121.257 119.914 0.083 0.000 2.686 7 V HA 0.261 4.381 4.120 -0.000 0.000 0.306 7 V C -0.157 175.964 176.094 0.045 0.000 1.065 7 V CA -0.866 61.485 62.300 0.086 0.000 0.894 7 V CB 2.819 34.684 31.823 0.069 0.000 1.004 7 V HN -0.244 nan 8.190 nan 0.000 0.424 8 V N 5.079 125.015 119.914 0.037 0.000 2.407 8 V HA 0.410 4.530 4.120 -0.000 0.000 0.278 8 V C -0.075 176.011 176.094 -0.014 0.000 1.037 8 V CA -0.397 61.897 62.300 -0.011 0.000 0.900 8 V CB 1.850 33.661 31.823 -0.019 0.000 0.983 8 V HN 0.645 nan 8.190 nan 0.000 0.459 9 V N 6.198 126.089 119.914 -0.038 0.000 2.370 9 V HA 0.343 4.463 4.120 -0.000 0.000 0.279 9 V C -0.014 176.053 176.094 -0.044 0.000 1.029 9 V CA -0.595 61.688 62.300 -0.028 0.000 0.870 9 V CB 1.727 33.536 31.823 -0.023 0.000 0.984 9 V HN 0.594 nan 8.190 nan 0.000 0.451 10 V N 4.477 124.379 119.914 -0.020 0.000 2.368 10 V HA 0.809 4.929 4.120 -0.000 0.000 0.266 10 V C 0.686 176.783 176.094 0.006 0.000 1.045 10 V CA 0.386 62.675 62.300 -0.018 0.000 0.899 10 V CB 0.448 32.278 31.823 0.012 0.000 1.006 10 V HN 1.286 nan 8.190 nan 0.000 0.470 11 G N 3.635 112.425 108.800 -0.016 0.000 3.355 11 G HA2 0.174 4.134 3.960 -0.000 0.000 0.686 11 G HA3 0.174 4.134 3.960 -0.000 0.000 0.686 11 G C 0.083 174.983 174.900 -0.000 0.000 1.097 11 G CA -0.502 44.600 45.100 0.003 0.000 0.881 11 G HN 1.250 nan 8.290 nan 0.000 0.550 12 G N 0.904 109.701 108.800 -0.005 0.000 4.291 12 G HA2 0.687 4.647 3.960 -0.000 0.000 0.304 12 G HA3 0.687 4.647 3.960 -0.000 0.000 0.304 12 G C 0.876 175.789 174.900 0.022 0.000 1.264 12 G CA 0.914 46.013 45.100 -0.002 0.000 1.039 12 G HN 1.296 nan 8.290 nan 0.000 0.578 13 G N -0.130 108.695 108.800 0.042 0.000 2.535 13 G HA2 0.344 4.304 3.960 -0.000 0.000 0.282 13 G HA3 0.344 4.304 3.960 -0.000 0.000 0.282 13 G C 1.214 176.140 174.900 0.044 0.000 1.350 13 G CA -0.769 44.366 45.100 0.058 0.000 1.039 13 G HN 0.150 nan 8.290 nan 0.000 0.509 14 I N -0.535 120.063 120.570 0.047 0.000 2.248 14 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 14 I C 3.012 179.153 176.117 0.039 0.000 1.107 14 I CA 1.633 62.954 61.300 0.035 0.000 1.373 14 I CB -0.109 37.915 38.000 0.041 0.000 1.055 14 I HN 0.466 nan 8.210 nan 0.000 0.418 15 S N 0.489 116.224 115.700 0.059 0.000 2.355 15 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 15 S C 2.099 176.725 174.600 0.044 0.000 1.031 15 S CA 1.600 59.838 58.200 0.064 0.000 0.993 15 S CB -0.569 62.687 63.200 0.093 0.000 0.859 15 S HN 0.578 nan 8.310 nan 0.000 0.453 16 G N 1.351 110.175 108.800 0.041 0.000 2.418 16 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 16 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 16 G C 1.435 176.338 174.900 0.005 0.000 1.158 16 G CA 0.887 46.000 45.100 0.023 0.000 0.771 16 G HN 0.389 nan 8.290 nan 0.000 0.545 17 M N 1.164 120.766 119.600 0.003 0.000 2.132 17 M HA 0.134 4.614 4.480 -0.000 0.000 0.263 17 M C 3.017 179.310 176.300 -0.011 0.000 1.065 17 M CA 1.119 56.412 55.300 -0.012 0.000 1.122 17 M CB -1.323 31.267 32.600 -0.016 0.000 1.365 17 M HN 0.303 nan 8.290 nan 0.000 0.411 18 A N 0.425 123.244 122.820 -0.001 0.000 1.908 18 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 18 A C 2.460 180.042 177.584 -0.002 0.000 1.181 18 A CA 2.286 54.322 52.037 -0.001 0.000 0.627 18 A CB -0.961 18.044 19.000 0.009 0.000 0.818 18 A HN 0.470 nan 8.150 nan 0.000 0.445 19 A N -0.166 122.654 122.820 -0.002 0.000 1.877 19 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 19 A C 2.534 180.113 177.584 -0.008 0.000 1.186 19 A CA 2.235 54.265 52.037 -0.011 0.000 0.620 19 A CB -1.100 17.894 19.000 -0.009 0.000 0.822 19 A HN 1.105 nan 8.150 nan 0.000 0.443 20 A N -0.390 122.427 122.820 -0.005 0.000 1.902 20 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 20 A C 2.155 179.755 177.584 0.027 0.000 1.181 20 A CA 2.001 54.040 52.037 0.002 0.000 0.623 20 A CB -0.449 18.540 19.000 -0.018 0.000 0.818 20 A HN 0.558 nan 8.150 nan 0.000 0.443 21 K N -0.475 119.932 120.400 0.013 0.000 2.057 21 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 21 K C 2.001 178.639 176.600 0.064 0.000 1.050 21 K CA 1.385 57.694 56.287 0.037 0.000 0.935 21 K CB -0.295 32.208 32.500 0.006 0.000 0.715 21 K HN 0.457 nan 8.250 nan 0.000 0.439 22 L N 1.265 122.503 121.223 0.025 0.000 2.012 22 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 22 L C 2.224 179.099 176.870 0.009 0.000 1.073 22 L CA 1.264 56.109 54.840 0.009 0.000 0.748 22 L CB -0.183 41.867 42.059 -0.016 0.000 0.891 22 L HN 0.237 nan 8.230 nan 0.000 0.431 23 L N -1.112 120.118 121.223 0.011 0.000 2.046 23 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 23 L C 2.595 179.484 176.870 0.032 0.000 1.077 23 L CA 1.535 56.378 54.840 0.005 0.000 0.747 23 L CB -0.821 41.239 42.059 0.001 0.000 0.896 23 L HN 0.435 nan 8.230 nan 0.000 0.432 24 H N 0.210 119.267 119.070 -0.022 0.000 2.321 24 H HA -0.180 4.376 4.556 -0.000 0.000 0.300 24 H C 1.813 177.133 175.328 -0.014 0.000 1.087 24 H CA 1.959 57.998 56.048 -0.015 0.000 1.319 24 H CB 0.045 29.798 29.762 -0.014 0.000 1.379 24 H HN 0.208 nan 8.280 nan 0.000 0.501 25 D N -0.444 119.948 120.400 -0.014 0.000 2.218 25 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 25 D C 1.910 178.157 176.300 -0.088 0.000 0.976 25 D CA 1.235 55.198 54.000 -0.062 0.000 0.853 25 D CB -0.245 40.563 40.800 0.013 0.000 0.939 25 D HN 0.334 nan 8.370 nan 0.000 0.481 26 S N -1.048 114.612 115.700 -0.067 0.000 2.561 26 S HA 0.218 4.688 4.470 -0.000 0.000 0.225 26 S C 1.612 176.167 174.600 -0.075 0.000 0.977 26 S CA 0.662 58.826 58.200 -0.060 0.000 0.926 26 S CB 0.515 63.688 63.200 -0.045 0.000 0.769 26 S HN 0.470 nan 8.310 nan 0.000 0.533 27 G N 0.773 109.502 108.800 -0.118 0.000 2.159 27 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.227 27 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.227 27 G C -0.044 174.810 174.900 -0.077 0.000 0.986 27 G CA -0.342 44.689 45.100 -0.115 0.000 0.651 27 G HN 0.414 nan 8.290 nan 0.000 0.523 28 L N 0.575 121.766 121.223 -0.053 0.000 2.399 28 L HA 0.460 4.800 4.340 -0.000 0.000 0.265 28 L C 0.076 176.957 176.870 0.019 0.000 1.089 28 L CA -1.114 53.720 54.840 -0.009 0.000 0.802 28 L CB 0.695 42.756 42.059 0.003 0.000 1.180 28 L HN -0.011 nan 8.230 nan 0.000 0.454 29 N N 1.921 120.644 118.700 0.037 0.000 2.420 29 N HA 0.296 5.036 4.740 -0.000 0.000 0.249 29 N C -0.701 174.849 175.510 0.066 0.000 1.033 29 N CA -0.123 52.964 53.050 0.061 0.000 0.944 29 N CB 1.591 40.109 38.487 0.051 0.000 1.113 29 N HN 0.361 nan 8.380 nan 0.000 0.502 30 V N 0.141 120.102 119.914 0.079 0.000 2.715 30 V HA 0.743 4.863 4.120 -0.000 0.000 0.310 30 V C -0.157 175.953 176.094 0.026 0.000 1.054 30 V CA -0.715 61.615 62.300 0.051 0.000 0.928 30 V CB 1.969 33.822 31.823 0.049 0.000 1.007 30 V HN 0.160 nan 8.190 nan 0.000 0.437 31 V N 3.835 123.746 119.914 -0.006 0.000 2.656 31 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 31 V C -0.368 175.665 176.094 -0.102 0.000 1.051 31 V CA -0.529 61.737 62.300 -0.057 0.000 0.893 31 V CB 2.100 33.876 31.823 -0.079 0.000 0.999 31 V HN 0.845 nan 8.190 nan 0.000 0.426 32 V N 6.069 125.915 119.914 -0.113 0.000 2.370 32 V HA 0.461 4.581 4.120 -0.000 0.000 0.283 32 V C -0.248 175.750 176.094 -0.161 0.000 1.023 32 V CA -0.450 61.782 62.300 -0.113 0.000 0.857 32 V CB 1.530 33.308 31.823 -0.075 0.000 0.985 32 V HN 0.616 nan 8.190 nan 0.000 0.443 33 L N 4.572 125.687 121.223 -0.180 0.000 2.262 33 L HA 0.584 4.924 4.340 -0.000 0.000 0.288 33 L C -0.167 176.621 176.870 -0.136 0.000 1.035 33 L CA -0.351 54.367 54.840 -0.203 0.000 0.820 33 L CB 1.352 43.255 42.059 -0.260 0.000 1.204 33 L HN 0.614 nan 8.230 nan 0.000 0.424 34 E N 2.349 122.474 120.200 -0.125 0.000 2.158 34 E HA 0.470 4.820 4.350 -0.000 0.000 0.271 34 E C 0.413 176.911 176.600 -0.170 0.000 0.911 34 E CA -0.315 56.014 56.400 -0.119 0.000 0.767 34 E CB 2.043 31.696 29.700 -0.079 0.000 1.120 34 E HN 0.548 nan 8.360 nan 0.000 0.405 35 A N 5.500 128.156 122.820 -0.273 0.000 1.933 35 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 35 A C 1.068 178.434 177.584 -0.363 0.000 1.175 35 A CA 1.077 52.821 52.037 -0.489 0.000 0.628 35 A CB -0.192 18.123 19.000 -1.141 0.000 0.814 35 A HN 0.606 nan 8.150 nan 0.000 0.444 36 R N -0.237 120.129 120.500 -0.223 0.000 2.541 36 R HA 0.255 4.595 4.340 -0.000 0.000 0.263 36 R C 0.238 176.502 176.300 -0.062 0.000 1.112 36 R CA 0.109 56.150 56.100 -0.098 0.000 1.170 36 R CB 0.167 30.448 30.300 -0.033 0.000 1.167 36 R HN 0.444 nan 8.270 nan 0.000 0.582 37 D N 0.376 120.758 120.400 -0.031 0.000 2.338 37 D HA -0.053 4.587 4.640 -0.000 0.000 0.239 37 D C -0.105 176.195 176.300 0.001 0.000 1.095 37 D CA 0.195 54.186 54.000 -0.016 0.000 0.888 37 D CB -0.040 40.756 40.800 -0.007 0.000 0.899 37 D HN 0.432 nan 8.370 nan 0.000 0.525 38 R N -1.157 119.345 120.500 0.003 0.000 2.739 38 R HA 0.564 4.904 4.340 -0.000 0.000 0.271 38 R C -0.690 175.629 176.300 0.031 0.000 1.010 38 R CA -1.107 55.013 56.100 0.034 0.000 0.897 38 R CB 1.245 31.589 30.300 0.073 0.000 1.236 38 R HN -0.097 nan 8.270 nan 0.000 0.466 39 V N -1.206 118.734 119.914 0.043 0.000 3.134 39 V HA 0.851 4.971 4.120 -0.000 0.000 0.313 39 V C 0.946 177.092 176.094 0.087 0.000 1.069 39 V CA 0.472 62.797 62.300 0.043 0.000 1.048 39 V CB 0.814 32.648 31.823 0.018 0.000 1.119 39 V HN 1.195 nan 8.190 nan 0.000 0.461 40 G N -0.725 108.125 108.800 0.084 0.000 2.352 40 G HA2 0.169 4.129 3.960 -0.000 0.000 0.204 40 G HA3 0.169 4.129 3.960 -0.000 0.000 0.204 40 G C 1.572 176.556 174.900 0.141 0.000 1.004 40 G CA 0.716 45.886 45.100 0.116 0.000 0.648 40 G HN 2.603 nan 8.290 nan 0.000 0.491 41 G N 0.604 109.498 108.800 0.156 0.000 2.620 41 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.315 41 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.315 41 G C 0.959 176.013 174.900 0.257 0.000 1.179 41 G CA 1.481 46.691 45.100 0.182 0.000 0.971 41 G HN 1.178 nan 8.290 nan 0.000 0.544 42 R N 1.771 122.338 120.500 0.111 0.000 2.323 42 R HA 0.218 4.558 4.340 -0.000 0.000 0.198 42 R C 1.160 177.371 176.300 -0.148 0.000 0.988 42 R CA 1.051 57.051 56.100 -0.166 0.000 1.041 42 R CB -0.157 30.003 30.300 -0.234 0.000 0.926 42 R HN 0.714 nan 8.270 nan 0.000 0.476 43 T N -2.294 112.313 114.554 0.088 0.000 2.875 43 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 43 T C -0.910 174.016 174.700 0.376 0.000 0.995 43 T CA -0.583 61.620 62.100 0.172 0.000 1.060 43 T CB 1.500 70.434 68.868 0.111 0.000 0.967 43 T HN 0.100 nan 8.240 nan 0.000 0.476 44 Y N 1.332 121.779 120.300 0.245 0.000 2.287 44 Y HA 0.407 4.957 4.550 0.000 0.000 0.321 44 Y C -1.096 174.918 175.900 0.190 0.000 1.173 44 Y CA -0.890 57.355 58.100 0.242 0.000 1.124 44 Y CB 1.507 40.172 38.460 0.342 0.000 1.201 44 Y HN 0.875 nan 8.280 nan 0.000 0.421 45 T N 7.785 122.194 114.554 -0.242 0.000 2.753 45 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 45 T C -0.730 173.665 174.700 -0.509 0.000 0.981 45 T CA -0.367 61.575 62.100 -0.262 0.000 0.956 45 T CB 0.414 69.237 68.868 -0.075 0.000 0.936 45 T HN 0.557 nan 8.240 nan 0.000 0.463 46 L N 4.694 125.621 121.223 -0.493 0.000 2.331 46 L HA 0.554 4.894 4.340 -0.000 0.000 0.278 46 L C -0.161 176.640 176.870 -0.115 0.000 1.106 46 L CA -0.027 54.605 54.840 -0.347 0.000 0.824 46 L CB 0.350 42.287 42.059 -0.203 0.000 1.142 46 L HN 0.448 nan 8.230 nan 0.000 0.443 47 R N 3.714 124.169 120.500 -0.075 0.000 2.437 47 R HA 0.618 4.958 4.340 -0.000 0.000 0.310 47 R C -0.993 175.288 176.300 -0.033 0.000 0.955 47 R CA -0.553 55.529 56.100 -0.030 0.000 0.851 47 R CB 1.241 31.535 30.300 -0.011 0.000 1.161 47 R HN 0.879 nan 8.270 nan 0.000 0.446 48 N N -0.830 117.836 118.700 -0.057 0.000 3.039 48 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 48 N C -0.136 175.320 175.510 -0.091 0.000 1.497 48 N CA -0.859 52.154 53.050 -0.061 0.000 0.861 48 N CB 0.665 39.119 38.487 -0.055 0.000 1.479 48 N HN 0.134 nan 8.380 nan 0.000 0.547 49 Q N -0.339 119.414 119.800 -0.078 0.000 2.230 49 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 49 Q C 0.640 176.598 176.000 -0.071 0.000 0.963 49 Q CA 1.180 56.950 55.803 -0.055 0.000 0.866 49 Q CB -0.012 28.704 28.738 -0.037 0.000 0.931 49 Q HN 0.532 nan 8.270 nan 0.000 0.452 50 K N -0.036 120.232 120.400 -0.219 0.000 2.155 50 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 50 K C 1.941 178.343 176.600 -0.330 0.000 1.052 50 K CA 1.196 57.258 56.287 -0.376 0.000 0.948 50 K CB 0.174 32.121 32.500 -0.921 0.000 0.728 50 K HN 0.249 nan 8.250 nan 0.000 0.448 51 V N -2.772 116.917 119.914 -0.374 0.000 3.645 51 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 51 V C 1.423 177.136 176.094 -0.634 0.000 1.356 51 V CA 0.648 62.685 62.300 -0.439 0.000 1.051 51 V CB 0.194 31.799 31.823 -0.362 0.000 0.828 51 V HN 0.256 nan 8.190 nan 0.000 0.441 52 K N 0.533 120.636 120.400 -0.494 0.000 10.883 52 K HA -0.303 4.017 4.320 -0.000 0.000 0.526 52 K C 0.137 176.637 176.600 -0.166 0.000 0.382 52 K CA 2.499 58.535 56.287 -0.418 0.000 1.943 52 K CB -1.469 30.576 32.500 -0.759 0.000 0.766 52 K HN 0.957 nan 8.250 nan 0.000 1.214 53 Y N -1.925 118.233 120.300 -0.236 0.000 2.571 53 Y HA 0.734 5.284 4.550 -0.000 0.000 0.341 53 Y C -1.235 174.627 175.900 -0.062 0.000 1.076 53 Y CA -0.762 57.261 58.100 -0.128 0.000 1.029 53 Y CB 2.057 40.460 38.460 -0.096 0.000 1.308 53 Y HN 0.008 nan 8.280 nan 0.000 0.461 54 V N 2.452 122.423 119.914 0.095 0.000 2.777 54 V HA 0.367 4.487 4.120 -0.000 0.000 0.306 54 V C -1.570 174.588 176.094 0.106 0.000 1.112 54 V CA -0.640 61.721 62.300 0.102 0.000 0.917 54 V CB 1.959 33.864 31.823 0.137 0.000 1.018 54 V HN 0.928 nan 8.190 nan 0.000 0.426 55 D N 5.678 126.154 120.400 0.127 0.000 2.343 55 D HA 0.294 4.934 4.640 -0.000 0.000 0.255 55 D C 0.797 177.190 176.300 0.155 0.000 1.187 55 D CA 0.194 54.259 54.000 0.107 0.000 0.875 55 D CB 1.910 42.745 40.800 0.059 0.000 1.136 55 D HN 0.509 nan 8.370 nan 0.000 0.469 56 L N 1.414 122.784 121.223 0.245 0.000 2.590 56 L HA 0.223 4.563 4.340 -0.000 0.000 0.227 56 L C 1.483 178.747 176.870 0.658 0.000 1.099 56 L CA 0.033 55.116 54.840 0.405 0.000 0.872 56 L CB 0.401 42.717 42.059 0.427 0.000 1.088 56 L HN 0.328 nan 8.230 nan 0.000 0.479 57 G N -0.647 108.460 108.800 0.512 0.000 3.175 57 G HA2 0.434 4.394 3.960 -0.000 0.000 0.153 57 G HA3 0.434 4.394 3.960 -0.000 0.000 0.153 57 G C -0.156 174.773 174.900 0.049 0.000 1.216 57 G CA -0.070 45.150 45.100 0.199 0.000 0.943 57 G HN 0.082 nan 8.290 nan 0.000 0.611 58 G N -0.859 107.902 108.800 -0.064 0.000 2.353 58 G HA2 0.373 4.333 3.960 -0.000 0.000 0.239 58 G HA3 0.373 4.333 3.960 -0.000 0.000 0.239 58 G C 0.490 175.365 174.900 -0.042 0.000 1.295 58 G CA 0.905 45.968 45.100 -0.061 0.000 0.884 58 G HN 0.806 nan 8.290 nan 0.000 0.537 59 S N 1.027 116.642 115.700 -0.142 0.000 3.330 59 S HA 0.189 4.659 4.470 -0.000 0.000 0.259 59 S C 0.046 174.398 174.600 -0.413 0.000 1.095 59 S CA -0.323 57.693 58.200 -0.308 0.000 0.841 59 S CB -0.048 62.808 63.200 -0.574 0.000 0.890 59 S HN 0.491 nan 8.310 nan 0.000 0.446 60 Y N 2.881 123.142 120.300 -0.066 0.000 2.309 60 Y HA 0.532 5.082 4.550 -0.000 0.000 0.327 60 Y C 0.310 176.085 175.900 -0.209 0.000 1.172 60 Y CA -0.440 57.572 58.100 -0.148 0.000 1.280 60 Y CB 1.050 39.464 38.460 -0.078 0.000 1.234 60 Y HN 0.121 nan 8.280 nan 0.000 0.512 61 V N -0.369 119.430 119.914 -0.192 0.000 3.102 61 V HA 1.103 5.223 4.120 -0.000 0.000 0.312 61 V C -0.303 175.607 176.094 -0.307 0.000 1.135 61 V CA -0.541 61.572 62.300 -0.312 0.000 1.022 61 V CB 1.703 33.272 31.823 -0.422 0.000 1.056 61 V HN 0.960 nan 8.190 nan 0.000 0.436 62 G N 0.268 108.843 108.800 -0.375 0.000 2.606 62 G HA2 0.723 4.683 3.960 -0.000 0.000 0.300 62 G HA3 0.723 4.683 3.960 -0.000 0.000 0.300 62 G C -3.438 171.304 174.900 -0.263 0.000 1.360 62 G CA -1.162 43.767 45.100 -0.286 0.000 0.783 62 G HN 0.718 nan 8.290 nan 0.000 0.484 63 P HA 0.115 nan 4.420 nan 0.000 0.265 63 P C 0.814 178.097 177.300 -0.029 0.000 1.187 63 P CA 1.943 64.999 63.100 -0.073 0.000 0.766 63 P CB 0.879 32.563 31.700 -0.028 0.000 0.820 64 T N -1.417 113.151 114.554 0.023 0.000 7.013 64 T HA -0.261 4.089 4.350 -0.000 0.000 0.288 64 T C 0.278 175.010 174.700 0.053 0.000 2.146 64 T CA 1.079 63.265 62.100 0.144 0.000 3.498 64 T CB -2.668 66.404 68.868 0.341 0.000 1.517 64 T HN 0.589 nan 8.240 nan 0.000 1.113 65 Q N 1.366 121.023 119.800 -0.239 0.000 3.207 65 Q HA 0.368 4.708 4.340 -0.000 0.000 0.335 65 Q C 0.909 176.815 176.000 -0.157 0.000 1.374 65 Q CA -0.449 55.119 55.803 -0.392 0.000 1.023 65 Q CB 0.182 28.501 28.738 -0.699 0.000 1.576 65 Q HN 0.505 nan 8.270 nan 0.000 0.515 66 N N 0.768 119.446 118.700 -0.037 0.000 2.409 66 N HA -0.057 4.683 4.740 -0.000 0.000 0.179 66 N C 1.227 176.747 175.510 0.016 0.000 1.032 66 N CA 0.740 53.792 53.050 0.003 0.000 0.898 66 N CB 0.283 38.794 38.487 0.041 0.000 0.971 66 N HN 0.375 nan 8.380 nan 0.000 0.441 67 R N 0.538 121.051 120.500 0.023 0.000 2.062 67 R HA 0.015 4.355 4.340 -0.000 0.000 0.229 67 R C 2.049 178.365 176.300 0.027 0.000 1.128 67 R CA 0.721 56.842 56.100 0.034 0.000 0.960 67 R CB -0.353 29.979 30.300 0.054 0.000 0.855 67 R HN 0.078 nan 8.270 nan 0.000 0.432 68 I N 1.219 121.800 120.570 0.018 0.000 2.286 68 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 68 I C 1.813 177.994 176.117 0.108 0.000 1.115 68 I CA 1.402 62.736 61.300 0.057 0.000 1.392 68 I CB -0.051 37.991 38.000 0.070 0.000 1.065 68 I HN 0.106 nan 8.210 nan 0.000 0.418 69 L N 0.113 121.380 121.223 0.074 0.000 2.056 69 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 69 L C 2.737 179.650 176.870 0.073 0.000 1.078 69 L CA 1.276 56.175 54.840 0.098 0.000 0.749 69 L CB -0.810 41.264 42.059 0.025 0.000 0.901 69 L HN 0.252 nan 8.230 nan 0.000 0.433 70 R N 0.716 121.240 120.500 0.040 0.000 2.075 70 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 70 R C 2.293 178.602 176.300 0.014 0.000 1.126 70 R CA 1.558 57.675 56.100 0.027 0.000 0.963 70 R CB -0.585 29.729 30.300 0.023 0.000 0.858 70 R HN 0.254 nan 8.270 nan 0.000 0.435 71 L N 1.185 122.413 121.223 0.009 0.000 2.046 71 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 71 L C 2.372 179.211 176.870 -0.053 0.000 1.077 71 L CA 2.300 57.130 54.840 -0.017 0.000 0.747 71 L CB -0.781 41.267 42.059 -0.018 0.000 0.896 71 L HN 0.234 nan 8.230 nan 0.000 0.432 72 A N -0.772 122.008 122.820 -0.068 0.000 1.930 72 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 72 A C 2.448 179.981 177.584 -0.085 0.000 1.175 72 A CA 1.739 53.670 52.037 -0.178 0.000 0.627 72 A CB -0.579 18.202 19.000 -0.364 0.000 0.815 72 A HN 0.500 nan 8.150 nan 0.000 0.443 73 K N -0.209 120.188 120.400 -0.004 0.000 2.057 73 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 73 K C 2.030 178.623 176.600 -0.011 0.000 1.049 73 K CA 1.622 57.915 56.287 0.010 0.000 0.931 73 K CB -0.173 32.345 32.500 0.030 0.000 0.714 73 K HN 0.605 nan 8.250 nan 0.000 0.440 74 E N 0.453 120.644 120.200 -0.016 0.000 2.160 74 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 74 E C 1.629 178.211 176.600 -0.030 0.000 0.991 74 E CA 0.939 57.328 56.400 -0.017 0.000 0.810 74 E CB 0.025 29.718 29.700 -0.013 0.000 0.742 74 E HN 0.350 nan 8.360 nan 0.000 0.466 75 L N -0.773 120.418 121.223 -0.054 0.000 2.599 75 L HA 0.139 4.479 4.340 -0.000 0.000 0.230 75 L C 1.352 178.182 176.870 -0.066 0.000 1.141 75 L CA 0.462 55.260 54.840 -0.069 0.000 0.877 75 L CB 0.192 42.189 42.059 -0.104 0.000 1.009 75 L HN 0.365 nan 8.230 nan 0.000 0.447 76 G N 0.224 108.993 108.800 -0.050 0.000 2.131 76 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.223 76 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.223 76 G C 0.074 174.951 174.900 -0.039 0.000 0.990 76 G CA -0.358 44.720 45.100 -0.036 0.000 0.671 76 G HN 0.190 nan 8.290 nan 0.000 0.521 77 L N -0.081 121.108 121.223 -0.058 0.000 2.399 77 L HA 0.696 5.036 4.340 -0.000 0.000 0.266 77 L C 0.650 177.558 176.870 0.063 0.000 1.114 77 L CA -0.649 54.164 54.840 -0.044 0.000 0.804 77 L CB 1.065 43.002 42.059 -0.204 0.000 1.146 77 L HN 0.189 nan 8.230 nan 0.000 0.451 78 E N -0.036 120.239 120.200 0.126 0.000 2.299 78 E HA 0.448 4.798 4.350 -0.000 0.000 0.265 78 E C -0.868 175.883 176.600 0.251 0.000 0.911 78 E CA -0.686 55.810 56.400 0.160 0.000 0.789 78 E CB 2.406 32.174 29.700 0.113 0.000 1.246 78 E HN 0.658 nan 8.360 nan 0.000 0.427 79 T N -1.262 113.387 114.554 0.160 0.000 2.952 79 T HA 0.621 4.971 4.350 -0.000 0.000 0.286 79 T C -0.763 174.013 174.700 0.126 0.000 1.024 79 T CA -0.674 61.452 62.100 0.043 0.000 1.029 79 T CB 0.702 69.479 68.868 -0.153 0.000 1.094 79 T HN 0.520 nan 8.240 nan 0.000 0.515 80 Y N -1.463 118.831 120.300 -0.010 0.000 2.581 80 Y HA 0.721 5.271 4.550 -0.000 0.000 0.345 80 Y C -0.756 175.144 175.900 0.000 0.000 1.036 80 Y CA -1.536 56.571 58.100 0.012 0.000 1.042 80 Y CB 1.394 39.881 38.460 0.046 0.000 1.289 80 Y HN 0.636 nan 8.280 nan 0.000 0.471 81 K N 2.296 122.773 120.400 0.128 0.000 2.297 81 K HA 0.418 4.738 4.320 -0.000 0.000 0.286 81 K C -0.795 175.859 176.600 0.091 0.000 1.053 81 K CA -0.720 55.586 56.287 0.031 0.000 0.940 81 K CB 1.546 34.079 32.500 0.056 0.000 1.019 81 K HN 0.592 nan 8.250 nan 0.000 0.475 82 V N 3.339 123.246 119.914 -0.013 0.000 2.673 82 V HA -0.111 4.009 4.120 -0.000 0.000 0.303 82 V C 0.593 176.730 176.094 0.073 0.000 1.046 82 V CA -0.136 62.200 62.300 0.060 0.000 1.126 82 V CB 0.333 32.166 31.823 0.017 0.000 0.934 82 V HN 0.728 nan 8.190 nan 0.000 0.487 83 N N 3.794 122.559 118.700 0.109 0.000 2.434 83 N HA 0.015 4.755 4.740 -0.000 0.000 0.268 83 N C 0.273 175.801 175.510 0.029 0.000 1.256 83 N CA 0.538 53.638 53.050 0.083 0.000 0.914 83 N CB 0.223 38.784 38.487 0.123 0.000 1.088 83 N HN 0.821 nan 8.380 nan 0.000 0.478 84 E N 2.817 123.025 120.200 0.013 0.000 3.254 84 E HA 0.110 4.460 4.350 -0.000 0.000 0.184 84 E C 0.268 176.862 176.600 -0.010 0.000 0.967 84 E CA -0.043 56.345 56.400 -0.019 0.000 1.311 84 E CB 0.273 29.948 29.700 -0.042 0.000 1.071 84 E HN 0.434 nan 8.360 nan 0.000 0.456 85 V N 0.461 120.381 119.914 0.010 0.000 2.379 85 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 85 V C 0.927 177.025 176.094 0.006 0.000 1.044 85 V CA 1.532 63.837 62.300 0.009 0.000 1.036 85 V CB -0.092 31.739 31.823 0.014 0.000 0.664 85 V HN 0.236 nan 8.190 nan 0.000 0.453 86 E N -0.710 119.501 120.200 0.018 0.000 3.099 86 E HA 0.423 4.773 4.350 -0.000 0.000 0.259 86 E C 0.141 176.751 176.600 0.016 0.000 1.274 86 E CA -0.687 55.730 56.400 0.027 0.000 1.111 86 E CB 0.309 30.040 29.700 0.051 0.000 1.327 86 E HN 0.291 nan 8.360 nan 0.000 0.652 87 R N 0.210 120.745 120.500 0.058 0.000 2.539 87 R HA 0.305 4.645 4.340 -0.000 0.000 0.275 87 R C -0.509 175.751 176.300 -0.067 0.000 1.077 87 R CA -0.584 55.524 56.100 0.013 0.000 1.097 87 R CB 0.149 30.523 30.300 0.124 0.000 1.018 87 R HN 0.173 nan 8.270 nan 0.000 0.483 88 L N 2.452 123.467 121.223 -0.346 0.000 2.456 88 L HA 0.383 4.723 4.340 -0.000 0.000 0.257 88 L C 0.192 176.869 176.870 -0.321 0.000 1.162 88 L CA 0.164 54.714 54.840 -0.484 0.000 0.808 88 L CB 0.479 41.941 42.059 -0.996 0.000 1.136 88 L HN 0.465 nan 8.230 nan 0.000 0.466 89 I N 0.226 120.744 120.570 -0.087 0.000 2.498 89 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 89 I C -0.607 175.806 176.117 0.493 0.000 1.032 89 I CA -0.500 60.895 61.300 0.159 0.000 1.073 89 I CB 1.551 39.485 38.000 -0.110 0.000 1.251 89 I HN 0.544 nan 8.210 nan 0.000 0.426 90 H N 5.458 124.848 119.070 0.533 0.000 2.556 90 H HA 0.311 4.867 4.556 -0.000 0.000 0.310 90 H C -1.293 174.271 175.328 0.392 0.000 1.057 90 H CA -0.669 55.627 56.048 0.415 0.000 1.264 90 H CB 0.906 30.813 29.762 0.242 0.000 1.404 90 H HN 0.605 nan 8.280 nan 0.000 0.462 91 H N 4.760 123.940 119.070 0.183 0.000 2.581 91 H HA 0.350 4.906 4.556 -0.000 0.000 0.308 91 H C -1.301 174.011 175.328 -0.026 0.000 1.040 91 H CA -0.522 55.570 56.048 0.074 0.000 1.231 91 H CB 0.818 30.630 29.762 0.084 0.000 1.396 91 H HN 0.372 nan 8.280 nan 0.000 0.467 92 V N 4.924 124.692 119.914 -0.243 0.000 2.686 92 V HA 0.335 4.455 4.120 -0.000 0.000 0.306 92 V C -0.437 175.590 176.094 -0.112 0.000 1.065 92 V CA -0.908 61.290 62.300 -0.170 0.000 0.894 92 V CB 1.500 33.151 31.823 -0.286 0.000 1.004 92 V HN 1.038 nan 8.190 nan 0.000 0.424 93 K N 4.650 125.016 120.400 -0.055 0.000 3.077 93 K HA -0.206 4.114 4.320 -0.000 0.000 0.264 93 K C 1.006 177.567 176.600 -0.064 0.000 1.008 93 K CA 0.921 57.194 56.287 -0.023 0.000 0.740 93 K CB -1.668 30.838 32.500 0.010 0.000 1.273 93 K HN 2.199 nan 8.250 nan 0.000 0.477 94 G N -0.020 108.699 108.800 -0.135 0.000 2.162 94 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 94 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 94 G C -0.071 174.670 174.900 -0.265 0.000 0.976 94 G CA 0.966 46.011 45.100 -0.091 0.000 0.655 94 G HN 0.431 nan 8.290 nan 0.000 0.533 95 K N 0.118 120.187 120.400 -0.553 0.000 2.426 95 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 95 K C -0.526 175.702 176.600 -0.621 0.000 0.941 95 K CA -0.512 55.492 56.287 -0.471 0.000 0.808 95 K CB 1.419 33.687 32.500 -0.387 0.000 1.265 95 K HN 0.056 nan 8.250 nan 0.000 0.432 96 S N 2.144 117.637 115.700 -0.346 0.000 2.480 96 S HA 0.397 4.867 4.470 -0.000 0.000 0.286 96 S C -1.410 172.973 174.600 -0.361 0.000 1.180 96 S CA -0.412 57.713 58.200 -0.125 0.000 1.075 96 S CB 0.311 63.557 63.200 0.076 0.000 0.996 96 S HN 0.395 nan 8.310 nan 0.000 0.487 97 Y N 2.384 122.767 120.300 0.137 0.000 2.447 97 Y HA 0.361 4.911 4.550 -0.000 0.000 0.325 97 Y C -2.496 173.600 175.900 0.326 0.000 0.976 97 Y CA -2.447 55.773 58.100 0.201 0.000 1.280 97 Y CB 0.707 39.273 38.460 0.178 0.000 1.104 97 Y HN 0.454 nan 8.280 nan 0.000 0.486 98 P HA 0.234 nan 4.420 nan 0.000 0.272 98 P C -0.826 176.776 177.300 0.503 0.000 1.223 98 P CA 0.036 63.367 63.100 0.385 0.000 0.784 98 P CB 0.594 32.505 31.700 0.351 0.000 0.923 99 F N -1.271 118.800 119.950 0.201 0.000 2.773 99 F HA 0.675 5.202 4.527 -0.000 0.000 0.314 99 F C -1.257 174.619 175.800 0.127 0.000 1.160 99 F CA -1.259 56.845 58.000 0.174 0.000 0.920 99 F CB 1.367 40.473 39.000 0.177 0.000 1.323 99 F HN 0.043 nan 8.300 nan 0.000 0.457 100 R N 0.881 121.494 120.500 0.189 0.000 2.888 100 R HA 0.767 5.107 4.340 -0.000 0.000 0.266 100 R C -0.426 175.996 176.300 0.203 0.000 1.020 100 R CA -0.796 55.332 56.100 0.046 0.000 0.963 100 R CB 1.790 32.131 30.300 0.068 0.000 1.197 100 R HN 1.527 nan 8.270 nan 0.000 0.481 101 G N 1.419 110.278 108.800 0.098 0.000 2.746 101 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.685 101 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.685 101 G C -1.982 173.021 174.900 0.173 0.000 1.350 101 G CA -0.746 44.434 45.100 0.133 0.000 0.837 101 G HN 0.439 nan 8.290 nan 0.000 0.564 102 P HA 0.088 nan 4.420 nan 0.000 0.217 102 P C 0.585 177.760 177.300 -0.209 0.000 1.151 102 P CA 1.063 64.075 63.100 -0.146 0.000 0.828 102 P CB 0.107 31.562 31.700 -0.408 0.000 0.788 103 F N 1.135 121.053 119.950 -0.053 0.000 2.420 103 F HA 0.407 4.934 4.527 -0.000 0.000 0.342 103 F C -1.983 173.633 175.800 -0.306 0.000 1.113 103 F CA -2.927 54.930 58.000 -0.237 0.000 1.059 103 F CB 0.348 39.112 39.000 -0.394 0.000 1.128 103 F HN -0.260 nan 8.300 nan 0.000 0.475 104 P HA 0.090 nan 4.420 nan 0.000 0.266 104 P C -2.377 174.668 177.300 -0.424 0.000 1.215 104 P CA -0.812 61.702 63.100 -0.977 0.000 0.763 104 P CB -0.089 31.083 31.700 -0.880 0.000 0.806 105 P HA 0.197 nan 4.420 nan 0.000 0.274 105 P C -0.958 176.198 177.300 -0.241 0.000 1.246 105 P CA -0.154 62.808 63.100 -0.231 0.000 0.795 105 P CB 1.002 32.594 31.700 -0.179 0.000 1.006 106 V N 1.782 121.532 119.914 -0.273 0.000 2.808 106 V HA 0.321 4.441 4.120 -0.000 0.000 0.308 106 V C -0.449 175.535 176.094 -0.183 0.000 1.099 106 V CA -0.495 61.673 62.300 -0.219 0.000 0.920 106 V CB 1.913 33.497 31.823 -0.397 0.000 1.014 106 V HN 0.580 nan 8.190 nan 0.000 0.425 107 W N 2.440 123.726 121.300 -0.024 0.000 2.630 107 W HA 0.276 4.936 4.660 -0.000 0.000 0.275 107 W C 1.338 177.854 176.519 -0.004 0.000 1.192 107 W CA 0.204 57.541 57.345 -0.013 0.000 1.410 107 W CB 0.103 29.548 29.460 -0.025 0.000 1.075 107 W HN 0.592 nan 8.180 nan 0.000 0.581 108 N N 2.299 121.127 118.700 0.213 0.000 2.411 108 N HA -0.061 4.679 4.740 -0.000 0.000 0.265 108 N C -1.763 173.824 175.510 0.129 0.000 1.266 108 N CA -0.327 52.806 53.050 0.139 0.000 0.889 108 N CB 1.220 39.768 38.487 0.101 0.000 1.069 108 N HN -0.118 nan 8.380 nan 0.000 0.476 109 P HA -0.149 nan 4.420 nan 0.000 0.216 109 P C 1.570 178.942 177.300 0.120 0.000 1.153 109 P CA 0.874 64.026 63.100 0.086 0.000 0.858 109 P CB 0.303 32.030 31.700 0.045 0.000 0.789 110 I N -0.787 119.839 120.570 0.094 0.000 2.163 110 I HA -0.165 4.005 4.170 -0.000 0.000 0.240 110 I C 2.017 178.202 176.117 0.113 0.000 1.081 110 I CA 1.904 63.255 61.300 0.085 0.000 1.353 110 I CB -2.089 35.953 38.000 0.071 0.000 1.054 110 I HN 0.016 nan 8.210 nan 0.000 0.407 111 T N 0.359 114.988 114.554 0.125 0.000 2.759 111 T HA -0.243 4.107 4.350 -0.000 0.000 0.269 111 T C 1.867 176.656 174.700 0.148 0.000 1.042 111 T CA 1.400 63.590 62.100 0.150 0.000 1.140 111 T CB -0.583 68.349 68.868 0.106 0.000 0.864 111 T HN 0.310 nan 8.240 nan 0.000 0.455 112 Y N 1.822 122.123 120.300 0.002 0.000 2.145 112 Y HA -0.091 4.459 4.550 -0.000 0.000 0.286 112 Y C 2.020 177.931 175.900 0.018 0.000 1.145 112 Y CA 1.147 59.228 58.100 -0.032 0.000 1.148 112 Y CB -0.478 37.938 38.460 -0.074 0.000 0.981 112 Y HN 0.110 nan 8.280 nan 0.000 0.507 113 L N -0.200 121.115 121.223 0.154 0.000 2.042 113 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 113 L C 2.190 179.046 176.870 -0.024 0.000 1.076 113 L CA 1.793 56.663 54.840 0.050 0.000 0.749 113 L CB -0.688 41.403 42.059 0.053 0.000 0.893 113 L HN 0.230 nan 8.230 nan 0.000 0.432 114 D N -0.808 119.610 120.400 0.029 0.000 2.084 114 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 114 D C 2.192 178.500 176.300 0.013 0.000 0.990 114 D CA 1.288 55.311 54.000 0.038 0.000 0.826 114 D CB 0.003 40.861 40.800 0.097 0.000 0.971 114 D HN 0.296 nan 8.370 nan 0.000 0.453 115 H N -0.190 118.821 119.070 -0.098 0.000 2.319 115 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 115 H C 2.144 177.428 175.328 -0.074 0.000 1.092 115 H CA 1.261 57.257 56.048 -0.087 0.000 1.302 115 H CB -0.175 29.541 29.762 -0.076 0.000 1.373 115 H HN 0.288 nan 8.280 nan 0.000 0.497 116 N N 1.062 119.680 118.700 -0.136 0.000 2.104 116 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 116 N C 1.790 177.232 175.510 -0.113 0.000 1.024 116 N CA 0.840 53.762 53.050 -0.214 0.000 0.853 116 N CB -0.190 38.066 38.487 -0.386 0.000 1.008 116 N HN 0.417 nan 8.380 nan 0.000 0.424 117 N N -0.083 118.563 118.700 -0.089 0.000 2.216 117 N HA -0.164 4.576 4.740 -0.000 0.000 0.183 117 N C 1.865 177.326 175.510 -0.082 0.000 1.017 117 N CA 0.584 53.586 53.050 -0.079 0.000 0.861 117 N CB -0.254 38.198 38.487 -0.059 0.000 0.986 117 N HN 0.225 nan 8.380 nan 0.000 0.428 118 F N 0.737 120.551 119.950 -0.226 0.000 2.075 118 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 118 F C 1.748 177.365 175.800 -0.304 0.000 1.113 118 F CA 1.608 59.407 58.000 -0.336 0.000 1.218 118 F CB -0.924 37.731 39.000 -0.575 0.000 0.984 118 F HN 0.050 nan 8.300 nan 0.000 0.472 119 W N 0.634 121.633 121.300 -0.502 0.000 2.358 119 W HA -0.081 4.579 4.660 -0.000 0.000 0.303 119 W C 2.841 179.091 176.519 -0.449 0.000 1.208 119 W CA 1.389 58.378 57.345 -0.594 0.000 1.274 119 W CB -0.611 28.611 29.460 -0.396 0.000 1.138 119 W HN -0.062 nan 8.180 nan 0.000 0.515 120 R N 0.088 120.509 120.500 -0.132 0.000 2.073 120 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 120 R C 1.954 178.153 176.300 -0.168 0.000 1.134 120 R CA 2.179 58.190 56.100 -0.149 0.000 0.952 120 R CB -0.657 29.554 30.300 -0.147 0.000 0.850 120 R HN 0.036 nan 8.270 nan 0.000 0.433 121 T N 1.207 115.640 114.554 -0.202 0.000 2.777 121 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 121 T C 1.826 176.390 174.700 -0.227 0.000 1.040 121 T CA 1.233 63.223 62.100 -0.184 0.000 1.141 121 T CB -0.048 68.729 68.868 -0.153 0.000 0.868 121 T HN 0.146 nan 8.240 nan 0.000 0.444 122 M N 1.744 121.142 119.600 -0.336 0.000 2.089 122 M HA -0.135 4.345 4.480 -0.000 0.000 0.257 122 M C 1.855 178.050 176.300 -0.175 0.000 1.071 122 M CA 1.619 56.751 55.300 -0.280 0.000 1.096 122 M CB -1.174 31.213 32.600 -0.356 0.000 1.330 122 M HN 0.188 nan 8.290 nan 0.000 0.403 123 D N 0.252 120.562 120.400 -0.150 0.000 2.149 123 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 123 D C 1.635 177.878 176.300 -0.096 0.000 0.972 123 D CA 0.969 54.901 54.000 -0.114 0.000 0.835 123 D CB -0.304 40.437 40.800 -0.100 0.000 0.966 123 D HN 0.297 nan 8.370 nan 0.000 0.476 124 D N 0.379 120.722 120.400 -0.096 0.000 2.092 124 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 124 D C 2.215 178.510 176.300 -0.009 0.000 0.994 124 D CA 0.819 54.785 54.000 -0.057 0.000 0.828 124 D CB -0.262 40.504 40.800 -0.058 0.000 0.963 124 D HN 0.225 nan 8.370 nan 0.000 0.450 125 M N 0.191 119.761 119.600 -0.049 0.000 2.117 125 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 125 M C 2.329 178.679 176.300 0.083 0.000 1.065 125 M CA 1.698 56.986 55.300 -0.020 0.000 1.114 125 M CB -0.487 31.849 32.600 -0.440 0.000 1.361 125 M HN 0.041 nan 8.290 nan 0.000 0.408 126 G N -0.004 108.782 108.800 -0.023 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 1.629 176.529 174.900 0.002 0.000 1.130 126 G CA 0.625 45.714 45.100 -0.019 0.000 0.760 126 G HN 0.401 nan 8.290 nan 0.000 0.557 127 R N 0.021 120.519 120.500 -0.003 0.000 2.189 127 R HA -0.002 4.338 4.340 -0.000 0.000 0.223 127 R C 1.759 178.065 176.300 0.011 0.000 1.092 127 R CA 0.807 56.898 56.100 -0.016 0.000 0.989 127 R CB 0.066 30.350 30.300 -0.026 0.000 0.876 127 R HN 0.255 nan 8.270 nan 0.000 0.457 128 E N 0.149 120.396 120.200 0.078 0.000 2.489 128 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 128 E C 0.045 176.668 176.600 0.038 0.000 1.057 128 E CA 0.420 56.858 56.400 0.063 0.000 0.866 128 E CB 0.367 30.132 29.700 0.110 0.000 0.916 128 E HN 0.327 nan 8.360 nan 0.000 0.500 129 I N 2.659 123.269 120.570 0.066 0.000 2.354 129 I HA 0.205 4.375 4.170 -0.000 0.000 0.286 129 I C -2.417 173.699 176.117 -0.002 0.000 1.007 129 I CA -2.403 58.932 61.300 0.059 0.000 1.167 129 I CB 1.532 39.635 38.000 0.172 0.000 1.320 129 I HN -0.338 nan 8.210 nan 0.000 0.458 130 P HA 0.112 nan 4.420 nan 0.000 0.267 130 P C 0.514 177.782 177.300 -0.054 0.000 1.205 130 P CA 0.176 63.205 63.100 -0.118 0.000 0.765 130 P CB 0.897 32.471 31.700 -0.210 0.000 0.828 131 S N 2.171 117.853 115.700 -0.029 0.000 2.370 131 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 131 S C 1.261 175.955 174.600 0.157 0.000 1.033 131 S CA 1.893 60.149 58.200 0.093 0.000 1.011 131 S CB -0.599 62.566 63.200 -0.059 0.000 0.852 131 S HN 0.683 nan 8.310 nan 0.000 0.457 132 D N 0.306 120.652 120.400 -0.089 0.000 2.339 132 D HA 0.296 4.936 4.640 -0.000 0.000 0.217 132 D C 0.244 176.315 176.300 -0.380 0.000 1.050 132 D CA 0.335 54.237 54.000 -0.163 0.000 0.856 132 D CB 0.098 40.738 40.800 -0.267 0.000 0.922 132 D HN 0.275 nan 8.370 nan 0.000 0.518 133 A N 1.125 123.557 122.820 -0.647 0.000 3.330 133 A HA 0.341 4.661 4.320 -0.000 0.000 0.256 133 A C -2.159 174.637 177.584 -1.313 0.000 1.185 133 A CA -0.749 50.416 52.037 -1.453 0.000 0.940 133 A CB 0.789 19.225 19.000 -0.940 0.000 1.397 133 A HN -0.104 nan 8.150 nan 0.000 0.678 134 P HA -0.187 nan 4.420 nan 0.000 0.218 134 P C 1.275 178.378 177.300 -0.328 0.000 1.148 134 P CA 1.639 64.443 63.100 -0.494 0.000 0.822 134 P CB -0.342 31.054 31.700 -0.506 0.000 0.784 135 W N 0.805 122.036 121.300 -0.114 0.000 2.721 135 W HA 0.107 4.767 4.660 0.000 0.000 0.245 135 W C 1.379 177.855 176.519 -0.072 0.000 1.276 135 W CA 0.397 57.693 57.345 -0.081 0.000 1.342 135 W CB -1.435 27.972 29.460 -0.087 0.000 1.135 135 W HN -0.109 nan 8.180 nan 0.000 0.654 136 K N 0.827 121.024 120.400 -0.339 0.000 2.444 136 K HA 0.273 4.593 4.320 -0.000 0.000 0.193 136 K C 1.083 177.590 176.600 -0.155 0.000 1.024 136 K CA 0.282 56.455 56.287 -0.190 0.000 1.077 136 K CB -0.093 32.251 32.500 -0.260 0.000 0.833 136 K HN 0.111 nan 8.250 nan 0.000 0.517 137 A N 2.400 125.125 122.820 -0.158 0.000 2.531 137 A HA 0.053 4.373 4.320 -0.000 0.000 0.236 137 A C -1.625 175.828 177.584 -0.219 0.000 1.062 137 A CA -0.907 51.030 52.037 -0.166 0.000 0.760 137 A CB 0.052 18.973 19.000 -0.132 0.000 0.995 137 A HN -0.015 nan 8.150 nan 0.000 0.501 138 P HA -0.128 nan 4.420 nan 0.000 0.216 138 P C 0.460 177.565 177.300 -0.325 0.000 1.150 138 P CA 1.249 64.207 63.100 -0.237 0.000 0.843 138 P CB 0.035 31.610 31.700 -0.208 0.000 0.787 139 L N -2.265 118.603 121.223 -0.591 0.000 2.984 139 L HA 0.371 4.711 4.340 -0.000 0.000 0.246 139 L C 1.808 178.287 176.870 -0.652 0.000 1.268 139 L CA -0.334 54.073 54.840 -0.721 0.000 1.054 139 L CB -0.474 40.913 42.059 -1.121 0.000 1.393 139 L HN -0.111 nan 8.230 nan 0.000 0.532 140 A N 0.452 123.068 122.820 -0.340 0.000 1.892 140 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 140 A C 2.216 179.802 177.584 0.004 0.000 1.188 140 A CA 1.752 53.728 52.037 -0.103 0.000 0.631 140 A CB -0.157 18.833 19.000 -0.017 0.000 0.822 140 A HN 0.506 nan 8.150 nan 0.000 0.447 141 E N -0.917 119.268 120.200 -0.024 0.000 2.031 141 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 141 E C 2.153 178.792 176.600 0.066 0.000 0.994 141 E CA 1.263 57.681 56.400 0.030 0.000 0.800 141 E CB -0.277 29.426 29.700 0.005 0.000 0.752 141 E HN 0.836 nan 8.360 nan 0.000 0.447 142 E N 0.152 120.366 120.200 0.023 0.000 2.058 142 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 142 E C 1.796 178.572 176.600 0.294 0.000 0.997 142 E CA 1.265 57.730 56.400 0.109 0.000 0.801 142 E CB -0.050 29.684 29.700 0.058 0.000 0.746 142 E HN 0.271 nan 8.360 nan 0.000 0.450 143 W N 1.017 122.361 121.300 0.073 0.000 2.436 143 W HA -0.038 4.622 4.660 0.000 0.000 0.284 143 W C 1.929 178.520 176.519 0.121 0.000 1.225 143 W CA 0.828 58.229 57.345 0.094 0.000 1.271 143 W CB -0.970 28.546 29.460 0.094 0.000 1.114 143 W HN 0.243 nan 8.180 nan 0.000 0.559 144 D N -0.462 120.138 120.400 0.333 0.000 2.277 144 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 144 D C 1.249 177.678 176.300 0.214 0.000 0.962 144 D CA 0.887 55.048 54.000 0.268 0.000 0.865 144 D CB -0.199 40.735 40.800 0.223 0.000 0.939 144 D HN -0.121 nan 8.370 nan 0.000 0.510 145 N N -0.457 118.355 118.700 0.186 0.000 2.322 145 N HA 0.120 4.860 4.740 -0.000 0.000 0.194 145 N C -0.254 175.336 175.510 0.134 0.000 1.126 145 N CA 0.163 53.298 53.050 0.141 0.000 0.845 145 N CB 0.293 38.847 38.487 0.111 0.000 0.976 145 N HN 0.306 nan 8.380 nan 0.000 0.475 146 M N -0.014 119.681 119.600 0.158 0.000 2.528 146 M HA 0.220 4.700 4.480 -0.000 0.000 0.321 146 M C 0.053 176.430 176.300 0.129 0.000 1.153 146 M CA -0.621 54.757 55.300 0.129 0.000 0.951 146 M CB 2.090 34.770 32.600 0.135 0.000 1.705 146 M HN -0.023 nan 8.290 nan 0.000 0.451 147 T N -0.402 114.210 114.554 0.095 0.000 2.849 147 T HA 0.243 4.593 4.350 -0.000 0.000 0.284 147 T C 1.152 175.884 174.700 0.052 0.000 1.004 147 T CA -0.844 61.307 62.100 0.085 0.000 1.021 147 T CB 0.854 69.763 68.868 0.068 0.000 1.013 147 T HN 0.620 nan 8.240 nan 0.000 0.527 148 M N 0.294 119.906 119.600 0.020 0.000 2.213 148 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 148 M C 2.183 178.444 176.300 -0.065 0.000 1.062 148 M CA 1.588 56.858 55.300 -0.049 0.000 1.105 148 M CB -1.327 31.159 32.600 -0.191 0.000 1.385 148 M HN 0.889 nan 8.290 nan 0.000 0.417 149 K N 0.611 120.983 120.400 -0.047 0.000 2.026 149 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 149 K C 1.699 178.279 176.600 -0.033 0.000 1.048 149 K CA 1.693 57.957 56.287 -0.038 0.000 0.929 149 K CB 0.038 32.548 32.500 0.017 0.000 0.713 149 K HN 0.384 nan 8.250 nan 0.000 0.439 150 E N 0.474 120.668 120.200 -0.009 0.000 2.077 150 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 150 E C 2.040 178.629 176.600 -0.017 0.000 0.989 150 E CA 1.145 57.540 56.400 -0.009 0.000 0.800 150 E CB -0.168 29.542 29.700 0.017 0.000 0.746 150 E HN 0.205 nan 8.360 nan 0.000 0.452 151 L N 1.220 122.435 121.223 -0.013 0.000 2.012 151 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 151 L C 2.074 178.929 176.870 -0.025 0.000 1.073 151 L CA 1.607 56.434 54.840 -0.021 0.000 0.748 151 L CB -0.373 41.666 42.059 -0.033 0.000 0.891 151 L HN 0.127 nan 8.230 nan 0.000 0.431 152 L N -0.822 120.375 121.223 -0.043 0.000 2.083 152 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 152 L C 2.231 179.040 176.870 -0.101 0.000 1.083 152 L CA 1.286 56.078 54.840 -0.081 0.000 0.752 152 L CB -0.916 41.057 42.059 -0.144 0.000 0.899 152 L HN 0.284 nan 8.230 nan 0.000 0.433 153 D N 0.343 120.686 120.400 -0.094 0.000 2.149 153 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 153 D C 2.196 178.410 176.300 -0.143 0.000 0.990 153 D CA 1.235 55.164 54.000 -0.119 0.000 0.839 153 D CB 0.028 40.770 40.800 -0.097 0.000 0.948 153 D HN 0.318 nan 8.370 nan 0.000 0.460 154 K N -0.383 119.963 120.400 -0.090 0.000 2.137 154 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 154 K C 1.835 178.431 176.600 -0.006 0.000 1.052 154 K CA 0.141 56.387 56.287 -0.069 0.000 0.961 154 K CB 0.108 32.603 32.500 -0.009 0.000 0.741 154 K HN 0.020 nan 8.250 nan 0.000 0.452 155 L N 0.945 122.183 121.223 0.025 0.000 2.131 155 L HA 0.020 4.360 4.340 -0.000 0.000 0.206 155 L C 0.214 177.186 176.870 0.169 0.000 1.087 155 L CA 1.168 56.076 54.840 0.114 0.000 0.767 155 L CB 0.101 42.217 42.059 0.095 0.000 0.917 155 L HN 0.064 nan 8.230 nan 0.000 0.441 156 C N -0.415 118.899 119.300 0.024 0.000 2.265 156 C HA 0.158 4.618 4.460 -0.000 0.000 0.332 156 C C 0.851 175.845 174.990 0.007 0.000 1.248 156 C CA -0.835 58.181 59.018 -0.004 0.000 1.727 156 C CB -1.093 26.538 27.740 -0.182 0.000 2.348 156 C HN 0.590 nan 8.230 nan 0.000 0.519 157 W N 1.867 123.126 121.300 -0.068 0.000 3.077 157 W HA 0.123 4.783 4.660 -0.000 0.000 0.266 157 W C 1.424 177.923 176.519 -0.033 0.000 1.300 157 W CA 0.162 57.483 57.345 -0.040 0.000 1.586 157 W CB -0.026 29.421 29.460 -0.021 0.000 1.103 157 W HN 0.677 nan 8.180 nan 0.000 0.652 158 T N -3.514 111.115 114.554 0.125 0.000 2.887 158 T HA 0.289 4.639 4.350 -0.000 0.000 0.288 158 T C 0.848 175.546 174.700 -0.003 0.000 1.021 158 T CA -0.631 61.511 62.100 0.071 0.000 1.000 158 T CB 2.546 71.478 68.868 0.107 0.000 1.034 158 T HN -0.249 nan 8.240 nan 0.000 0.467 159 E N 1.103 121.302 120.200 -0.001 0.000 2.118 159 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 159 E C 2.142 178.732 176.600 -0.016 0.000 0.992 159 E CA 1.352 57.739 56.400 -0.023 0.000 0.804 159 E CB -0.463 29.233 29.700 -0.007 0.000 0.741 159 E HN 0.742 nan 8.360 nan 0.000 0.458 160 S N 0.309 116.034 115.700 0.041 0.000 2.359 160 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 160 S C 2.052 176.673 174.600 0.035 0.000 1.035 160 S CA 1.597 59.870 58.200 0.123 0.000 1.018 160 S CB -0.101 63.240 63.200 0.236 0.000 0.876 160 S HN 0.307 nan 8.310 nan 0.000 0.448 161 A N 1.319 124.035 122.820 -0.173 0.000 1.898 161 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 161 A C 2.167 179.403 177.584 -0.580 0.000 1.181 161 A CA 1.819 53.439 52.037 -0.695 0.000 0.620 161 A CB -0.758 17.889 19.000 -0.589 0.000 0.819 161 A HN 0.647 nan 8.150 nan 0.000 0.442 162 K N -0.561 119.625 120.400 -0.358 0.000 2.103 162 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 162 K C 2.221 178.666 176.600 -0.258 0.000 1.048 162 K CA 1.804 57.895 56.287 -0.325 0.000 0.930 162 K CB -0.182 32.197 32.500 -0.201 0.000 0.716 162 K HN 0.622 nan 8.250 nan 0.000 0.444 163 Q N 0.170 119.878 119.800 -0.153 0.000 2.079 163 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 163 Q C 2.073 178.050 176.000 -0.039 0.000 0.974 163 Q CA 1.192 56.960 55.803 -0.058 0.000 0.840 163 Q CB -0.033 28.713 28.738 0.015 0.000 0.898 163 Q HN 0.218 nan 8.270 nan 0.000 0.430 164 L N 0.340 121.519 121.223 -0.074 0.000 2.056 164 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 164 L C 2.085 178.879 176.870 -0.126 0.000 1.078 164 L CA 1.948 56.781 54.840 -0.011 0.000 0.749 164 L CB -0.806 41.278 42.059 0.041 0.000 0.901 164 L HN 0.131 nan 8.230 nan 0.000 0.433 165 A N -1.552 120.971 122.820 -0.495 0.000 1.908 165 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 165 A C 2.265 179.735 177.584 -0.191 0.000 1.181 165 A CA 2.357 53.995 52.037 -0.664 0.000 0.627 165 A CB -1.222 16.928 19.000 -1.417 0.000 0.818 165 A HN 0.499 nan 8.150 nan 0.000 0.445 166 T N 0.124 114.567 114.554 -0.185 0.000 2.708 166 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 166 T C 1.869 176.554 174.700 -0.024 0.000 1.037 166 T CA 1.436 63.471 62.100 -0.108 0.000 1.146 166 T CB -0.442 68.374 68.868 -0.087 0.000 0.865 166 T HN 0.401 nan 8.240 nan 0.000 0.435 167 L N 0.260 121.514 121.223 0.052 0.000 2.013 167 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 167 L C 2.246 179.221 176.870 0.175 0.000 1.073 167 L CA 1.660 56.576 54.840 0.128 0.000 0.753 167 L CB -0.429 41.744 42.059 0.190 0.000 0.890 167 L HN 0.227 nan 8.230 nan 0.000 0.432 168 F N -0.272 119.728 119.950 0.084 0.000 2.091 168 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 168 F C 2.077 177.979 175.800 0.170 0.000 1.103 168 F CA 2.131 60.245 58.000 0.191 0.000 1.228 168 F CB -0.773 38.422 39.000 0.326 0.000 0.984 168 F HN -0.106 nan 8.300 nan 0.000 0.477 169 V N 1.091 120.889 119.914 -0.193 0.000 2.261 169 V HA -0.350 3.770 4.120 -0.000 0.000 0.246 169 V C 2.099 178.046 176.094 -0.245 0.000 1.047 169 V CA 2.423 64.434 62.300 -0.482 0.000 1.015 169 V CB -1.103 30.314 31.823 -0.677 0.000 0.642 169 V HN 0.409 nan 8.190 nan 0.000 0.446 170 N N 0.107 118.717 118.700 -0.151 0.000 2.061 170 N HA -0.245 4.495 4.740 -0.000 0.000 0.193 170 N C 1.744 177.215 175.510 -0.066 0.000 1.030 170 N CA 1.462 54.452 53.050 -0.100 0.000 0.856 170 N CB -0.251 38.220 38.487 -0.026 0.000 1.023 170 N HN 0.305 nan 8.380 nan 0.000 0.424 171 L N 0.752 121.973 121.223 -0.004 0.000 2.109 171 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 171 L C 2.064 178.987 176.870 0.088 0.000 1.086 171 L CA 1.376 56.242 54.840 0.042 0.000 0.760 171 L CB -0.550 41.532 42.059 0.039 0.000 0.910 171 L HN 0.253 nan 8.230 nan 0.000 0.437 172 C N -1.503 117.816 119.300 0.032 0.000 2.440 172 C HA -0.020 4.440 4.460 -0.000 0.000 0.278 172 C C 2.198 177.301 174.990 0.189 0.000 1.295 172 C CA 1.004 60.093 59.018 0.119 0.000 1.738 172 C CB -0.475 27.254 27.740 -0.019 0.000 1.987 172 C HN 0.557 nan 8.230 nan 0.000 0.492 173 V N -2.157 117.779 119.914 0.036 0.000 3.276 173 V HA 0.297 4.417 4.120 -0.000 0.000 0.319 173 V C 0.731 176.711 176.094 -0.191 0.000 1.476 173 V CA 0.781 63.063 62.300 -0.030 0.000 1.097 173 V CB -1.292 30.619 31.823 0.146 0.000 0.988 173 V HN 0.504 nan 8.190 nan 0.000 0.473 174 T N -1.306 113.057 114.554 -0.319 0.000 3.760 174 T HA -0.085 4.265 4.350 -0.000 0.000 0.366 174 T C 0.143 174.684 174.700 -0.266 0.000 0.761 174 T CA 1.345 63.228 62.100 -0.361 0.000 1.887 174 T CB -2.570 65.940 68.868 -0.596 0.000 1.811 174 T HN 2.447 nan 8.240 nan 0.000 0.749 175 A N -0.245 122.404 122.820 -0.285 0.000 2.587 175 A HA 0.733 5.053 4.320 -0.000 0.000 0.293 175 A C -0.363 177.003 177.584 -0.363 0.000 1.087 175 A CA -1.069 50.720 52.037 -0.413 0.000 0.692 175 A CB 1.252 19.788 19.000 -0.773 0.000 1.291 175 A HN 0.353 nan 8.150 nan 0.000 0.407 176 E N 0.449 120.389 120.200 -0.432 0.000 2.374 176 E HA 0.241 4.591 4.350 -0.000 0.000 0.260 176 E C 1.221 177.513 176.600 -0.514 0.000 1.101 176 E CA 0.516 56.631 56.400 -0.475 0.000 0.907 176 E CB 0.844 30.089 29.700 -0.757 0.000 1.014 176 E HN 0.801 nan 8.360 nan 0.000 0.427 177 T N -1.436 112.886 114.554 -0.386 0.000 2.833 177 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 177 T C 1.440 176.013 174.700 -0.212 0.000 1.054 177 T CA 1.600 63.530 62.100 -0.283 0.000 1.135 177 T CB -0.393 68.360 68.868 -0.192 0.000 0.869 177 T HN 0.620 nan 8.240 nan 0.000 0.466 178 H N 0.623 119.629 119.070 -0.108 0.000 2.555 178 H HA 0.249 4.805 4.556 -0.000 0.000 0.269 178 H C 1.411 176.703 175.328 -0.060 0.000 0.988 178 H CA 0.792 56.797 56.048 -0.073 0.000 1.178 178 H CB -0.190 29.530 29.762 -0.069 0.000 1.373 178 H HN 0.514 nan 8.280 nan 0.000 0.588 179 E N 1.286 121.297 120.200 -0.315 0.000 2.276 179 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 179 E C 0.728 177.281 176.600 -0.080 0.000 0.983 179 E CA 0.392 56.675 56.400 -0.196 0.000 0.861 179 E CB 0.882 30.320 29.700 -0.436 0.000 0.817 179 E HN 0.355 nan 8.360 nan 0.000 0.485 180 V N -0.891 118.969 119.914 -0.090 0.000 2.581 180 V HA 0.415 4.535 4.120 -0.000 0.000 0.303 180 V C -0.000 176.223 176.094 0.215 0.000 1.041 180 V CA -1.190 61.166 62.300 0.094 0.000 0.907 180 V CB 1.831 33.743 31.823 0.148 0.000 0.994 180 V HN -0.022 nan 8.190 nan 0.000 0.442 181 S N 3.524 119.425 115.700 0.336 0.000 2.546 181 S HA 0.376 4.846 4.470 -0.000 0.000 0.290 181 S C 1.489 176.332 174.600 0.405 0.000 1.290 181 S CA 0.227 58.643 58.200 0.359 0.000 1.069 181 S CB 0.824 64.275 63.200 0.419 0.000 0.846 181 S HN 1.795 nan 8.310 nan 0.000 0.495 182 A N 5.063 128.053 122.820 0.284 0.000 1.902 182 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 182 A C 2.030 179.788 177.584 0.290 0.000 1.181 182 A CA 1.668 53.846 52.037 0.235 0.000 0.623 182 A CB -0.909 18.156 19.000 0.109 0.000 0.818 182 A HN 0.975 nan 8.150 nan 0.000 0.443 183 L N -1.443 119.995 121.223 0.359 0.000 1.989 183 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 183 L C 2.241 179.349 176.870 0.396 0.000 1.071 183 L CA 2.598 57.682 54.840 0.406 0.000 0.749 183 L CB -0.803 41.504 42.059 0.412 0.000 0.890 183 L HN 0.657 nan 8.230 nan 0.000 0.431 184 W N -0.522 120.944 121.300 0.276 0.000 2.335 184 W HA -0.301 4.359 4.660 -0.000 0.000 0.311 184 W C 2.357 179.141 176.519 0.441 0.000 1.213 184 W CA 2.041 59.570 57.345 0.306 0.000 1.274 184 W CB -0.703 28.916 29.460 0.265 0.000 1.148 184 W HN 0.297 nan 8.180 nan 0.000 0.498 185 F N 0.774 120.788 119.950 0.107 0.000 2.134 185 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 185 F C 2.132 177.850 175.800 -0.136 0.000 1.097 185 F CA 2.234 60.103 58.000 -0.218 0.000 1.264 185 F CB -0.736 38.267 39.000 0.005 0.000 1.001 185 F HN -0.167 nan 8.300 nan 0.000 0.479 186 L N -1.302 119.931 121.223 0.017 0.000 2.042 186 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 186 L C 2.310 179.112 176.870 -0.113 0.000 1.076 186 L CA 1.750 56.547 54.840 -0.073 0.000 0.749 186 L CB -1.068 40.981 42.059 -0.017 0.000 0.893 186 L HN 0.448 nan 8.230 nan 0.000 0.432 187 W N 0.062 121.245 121.300 -0.196 0.000 2.355 187 W HA -0.310 4.350 4.660 0.000 0.000 0.309 187 W C 2.650 178.963 176.519 -0.344 0.000 1.206 187 W CA 1.559 58.770 57.345 -0.224 0.000 1.284 187 W CB -0.661 28.702 29.460 -0.162 0.000 1.145 187 W HN 0.094 nan 8.180 nan 0.000 0.502 188 Y N 0.668 120.515 120.300 -0.754 0.000 2.114 188 Y HA -0.329 4.221 4.550 -0.000 0.000 0.282 188 Y C 2.388 177.737 175.900 -0.918 0.000 1.165 188 Y CA 3.100 60.554 58.100 -1.077 0.000 1.148 188 Y CB -0.829 36.951 38.460 -1.132 0.000 0.972 188 Y HN -0.132 nan 8.280 nan 0.000 0.504 189 V N 0.888 120.387 119.914 -0.692 0.000 2.307 189 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 189 V C 2.498 178.271 176.094 -0.535 0.000 1.045 189 V CA 2.199 64.174 62.300 -0.543 0.000 1.024 189 V CB -0.688 30.910 31.823 -0.375 0.000 0.651 189 V HN 0.325 nan 8.190 nan 0.000 0.449 190 K N 1.165 121.269 120.400 -0.494 0.000 2.063 190 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 190 K C 2.143 178.416 176.600 -0.544 0.000 1.048 190 K CA 2.310 58.345 56.287 -0.421 0.000 0.928 190 K CB -0.185 32.136 32.500 -0.298 0.000 0.713 190 K HN 0.711 nan 8.250 nan 0.000 0.442 191 Q N -0.698 118.629 119.800 -0.789 0.000 2.488 191 Q HA -0.008 4.332 4.340 -0.000 0.000 0.211 191 Q C 1.476 176.986 176.000 -0.817 0.000 0.967 191 Q CA 1.028 56.368 55.803 -0.771 0.000 0.926 191 Q CB -0.496 27.606 28.738 -1.060 0.000 0.992 191 Q HN 0.164 nan 8.270 nan 0.000 0.506 192 C N 0.021 118.695 119.300 -1.044 0.000 2.791 192 C HA 0.598 5.058 4.460 -0.000 0.000 0.270 192 C C 1.544 175.824 174.990 -1.184 0.000 1.257 192 C CA 0.177 58.203 59.018 -1.655 0.000 1.699 192 C CB -0.858 25.851 27.740 -1.719 0.000 1.904 192 C HN 0.830 nan 8.230 nan 0.000 0.603 193 G N 0.081 108.499 108.800 -0.636 0.000 2.159 193 G HA2 0.299 4.259 3.960 -0.000 0.000 0.227 193 G HA3 0.299 4.259 3.960 -0.000 0.000 0.227 193 G C 0.458 175.191 174.900 -0.278 0.000 0.986 193 G CA 0.015 44.900 45.100 -0.358 0.000 0.651 193 G HN 1.635 nan 8.290 nan 0.000 0.523 194 G N -2.032 106.581 108.800 -0.312 0.000 2.592 194 G HA2 0.315 4.275 3.960 -0.000 0.000 0.684 194 G HA3 0.315 4.275 3.960 -0.000 0.000 0.684 194 G C 1.061 175.891 174.900 -0.118 0.000 1.291 194 G CA 0.980 45.965 45.100 -0.192 0.000 0.891 194 G HN 1.858 nan 8.290 nan 0.000 0.544 195 T N -2.874 111.662 114.554 -0.030 0.000 2.674 195 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 195 T C 2.374 177.022 174.700 -0.087 0.000 1.039 195 T CA 3.025 65.142 62.100 0.029 0.000 1.150 195 T CB -0.972 67.971 68.868 0.124 0.000 0.864 195 T HN 1.047 nan 8.240 nan 0.000 0.427 196 T N 1.412 115.937 114.554 -0.048 0.000 2.684 196 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 196 T C 2.141 176.759 174.700 -0.136 0.000 1.036 196 T CA 1.712 63.738 62.100 -0.123 0.000 1.148 196 T CB -0.368 68.512 68.868 0.019 0.000 0.863 196 T HN 0.301 nan 8.240 nan 0.000 0.436 197 R N 0.807 121.260 120.500 -0.079 0.000 2.081 197 R HA 0.123 4.463 4.340 -0.000 0.000 0.235 197 R C 2.221 178.534 176.300 0.022 0.000 1.131 197 R CA 1.203 57.286 56.100 -0.027 0.000 0.960 197 R CB -0.833 29.441 30.300 -0.044 0.000 0.856 197 R HN 0.470 nan 8.270 nan 0.000 0.436 198 I N 0.360 120.909 120.570 -0.036 0.000 2.439 198 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 198 I C 1.636 177.816 176.117 0.105 0.000 1.139 198 I CA 1.104 62.440 61.300 0.059 0.000 1.438 198 I CB 0.083 38.096 38.000 0.022 0.000 1.085 198 I HN 0.320 nan 8.210 nan 0.000 0.427 199 I N -2.733 117.830 120.570 -0.011 0.000 3.603 199 I HA 0.137 4.307 4.170 -0.000 0.000 0.297 199 I C 0.691 176.730 176.117 -0.131 0.000 1.269 199 I CA -0.041 61.209 61.300 -0.083 0.000 1.361 199 I CB -0.045 37.784 38.000 -0.285 0.000 1.063 199 I HN -0.093 nan 8.210 nan 0.000 0.448 200 S N 1.136 116.761 115.700 -0.125 0.000 2.586 200 S HA 0.316 4.786 4.470 -0.000 0.000 0.274 200 S C 0.828 175.389 174.600 -0.066 0.000 1.281 200 S CA -0.390 57.739 58.200 -0.118 0.000 1.035 200 S CB 1.861 64.989 63.200 -0.120 0.000 0.962 200 S HN 0.272 nan 8.310 nan 0.000 0.512 201 T N 2.098 116.612 114.554 -0.067 0.000 3.207 201 T HA 0.050 4.400 4.350 -0.000 0.000 0.229 201 T C 0.532 175.191 174.700 -0.068 0.000 0.999 201 T CA 0.570 62.624 62.100 -0.076 0.000 1.386 201 T CB -0.323 68.499 68.868 -0.077 0.000 1.130 201 T HN 0.611 nan 8.240 nan 0.000 0.435 202 T N 3.567 118.086 114.554 -0.057 0.000 2.866 202 T HA 0.078 4.428 4.350 -0.000 0.000 0.293 202 T C 0.703 175.377 174.700 -0.043 0.000 1.005 202 T CA 0.470 62.543 62.100 -0.045 0.000 1.162 202 T CB -0.190 68.658 68.868 -0.034 0.000 0.968 202 T HN 0.526 nan 8.240 nan 0.000 0.530 203 N N 0.705 119.383 118.700 -0.037 0.000 2.753 203 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 203 N C 0.200 175.698 175.510 -0.021 0.000 1.097 203 N CA 1.469 54.502 53.050 -0.027 0.000 0.786 203 N CB -1.025 37.451 38.487 -0.019 0.000 1.137 203 N HN 0.943 nan 8.380 nan 0.000 0.566 204 G N -3.129 105.653 108.800 -0.031 0.000 3.135 204 G HA2 0.570 4.530 3.960 -0.000 0.000 0.278 204 G HA3 0.570 4.530 3.960 -0.000 0.000 0.278 204 G C 0.964 175.843 174.900 -0.035 0.000 1.302 204 G CA -0.053 45.047 45.100 0.000 0.000 0.880 204 G HN 0.267 nan 8.290 nan 0.000 0.574 205 G N -0.949 107.865 108.800 0.025 0.000 2.470 205 G HA2 0.010 3.970 3.960 -0.000 0.000 0.220 205 G HA3 0.010 3.970 3.960 -0.000 0.000 0.220 205 G C 1.162 176.007 174.900 -0.092 0.000 1.121 205 G CA 0.916 45.947 45.100 -0.116 0.000 0.766 205 G HN 0.398 nan 8.290 nan 0.000 0.553 206 Q N -0.362 119.387 119.800 -0.086 0.000 2.204 206 Q HA 0.274 4.614 4.340 -0.000 0.000 0.209 206 Q C 1.649 177.565 176.000 -0.140 0.000 0.861 206 Q CA -0.144 55.548 55.803 -0.185 0.000 0.971 206 Q CB 0.691 29.223 28.738 -0.344 0.000 1.095 206 Q HN 0.605 nan 8.270 nan 0.000 0.486 207 E N 0.574 120.709 120.200 -0.109 0.000 2.077 207 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 207 E C -0.031 176.504 176.600 -0.109 0.000 0.989 207 E CA 0.876 57.217 56.400 -0.100 0.000 0.800 207 E CB 0.413 30.053 29.700 -0.100 0.000 0.746 207 E HN 0.178 nan 8.360 nan 0.000 0.452 208 R N -1.018 119.397 120.500 -0.142 0.000 2.836 208 R HA 0.474 4.814 4.340 -0.000 0.000 0.269 208 R C -1.032 175.059 176.300 -0.348 0.000 1.010 208 R CA -0.743 55.196 56.100 -0.269 0.000 0.930 208 R CB 1.972 32.088 30.300 -0.307 0.000 1.218 208 R HN -0.180 nan 8.270 nan 0.000 0.473 209 K N 0.514 120.534 120.400 -0.633 0.000 2.444 209 K HA 0.432 4.752 4.320 -0.000 0.000 0.252 209 K C -1.163 175.085 176.600 -0.588 0.000 0.993 209 K CA -0.720 55.188 56.287 -0.633 0.000 0.847 209 K CB 1.614 33.777 32.500 -0.562 0.000 1.340 209 K HN 0.232 nan 8.250 nan 0.000 0.446 210 F N 1.085 120.956 119.950 -0.133 0.000 2.427 210 F HA 0.140 4.667 4.527 -0.000 0.000 0.352 210 F C 0.523 176.380 175.800 0.095 0.000 1.100 210 F CA -0.908 57.071 58.000 -0.034 0.000 1.191 210 F CB 0.905 39.867 39.000 -0.062 0.000 1.128 210 F HN 0.012 nan 8.300 nan 0.000 0.533 211 V N 3.683 123.808 119.914 0.350 0.000 2.493 211 V HA 0.208 4.328 4.120 -0.000 0.000 0.292 211 V C 0.939 176.951 176.094 -0.137 0.000 1.016 211 V CA 1.220 63.650 62.300 0.216 0.000 1.097 211 V CB 0.078 32.002 31.823 0.168 0.000 0.947 211 V HN 1.109 nan 8.190 nan 0.000 0.479 212 G N 3.324 111.676 108.800 -0.747 0.000 2.175 212 G HA2 0.148 4.108 3.960 -0.000 0.000 0.244 212 G HA3 0.148 4.108 3.960 -0.000 0.000 0.244 212 G C 0.772 175.180 174.900 -0.820 0.000 0.982 212 G CA -0.074 44.309 45.100 -1.195 0.000 0.641 212 G HN 2.425 nan 8.290 nan 0.000 0.527 213 G N -1.416 107.174 108.800 -0.350 0.000 2.675 213 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 213 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 213 G C 0.833 175.745 174.900 0.020 0.000 1.215 213 G CA 0.843 45.928 45.100 -0.025 0.000 0.777 213 G HN 1.898 nan 8.290 nan 0.000 0.638 214 S N 0.070 115.836 115.700 0.110 0.000 2.481 214 S HA 0.146 4.616 4.470 -0.000 0.000 0.231 214 S C 2.491 177.081 174.600 -0.018 0.000 0.996 214 S CA 1.561 59.822 58.200 0.102 0.000 0.942 214 S CB 0.047 63.373 63.200 0.209 0.000 0.768 214 S HN 2.160 nan 8.310 nan 0.000 0.520 215 G N 1.277 110.079 108.800 0.004 0.000 2.470 215 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.220 215 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.220 215 G C 1.432 176.307 174.900 -0.043 0.000 1.121 215 G CA 0.512 45.619 45.100 0.011 0.000 0.766 215 G HN 0.632 nan 8.290 nan 0.000 0.553 216 Q N -0.202 119.537 119.800 -0.101 0.000 2.224 216 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 216 Q C 2.713 178.620 176.000 -0.155 0.000 0.970 216 Q CA 0.816 56.540 55.803 -0.131 0.000 0.865 216 Q CB -0.120 28.515 28.738 -0.172 0.000 0.922 216 Q HN 0.426 nan 8.270 nan 0.000 0.445 217 V N 0.265 120.059 119.914 -0.200 0.000 2.233 217 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 217 V C 2.154 178.186 176.094 -0.104 0.000 1.050 217 V CA 2.152 64.336 62.300 -0.194 0.000 1.010 217 V CB -0.671 31.023 31.823 -0.214 0.000 0.637 217 V HN 0.293 nan 8.190 nan 0.000 0.444 218 S N -0.713 114.949 115.700 -0.062 0.000 2.368 218 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 218 S C 1.935 176.515 174.600 -0.034 0.000 1.030 218 S CA 1.631 59.812 58.200 -0.030 0.000 0.999 218 S CB -0.297 62.906 63.200 0.006 0.000 0.844 218 S HN 0.695 nan 8.310 nan 0.000 0.459 219 E N 0.830 121.009 120.200 -0.034 0.000 2.077 219 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 219 E C 2.341 178.912 176.600 -0.048 0.000 0.989 219 E CA 0.892 57.272 56.400 -0.032 0.000 0.800 219 E CB -0.077 29.605 29.700 -0.030 0.000 0.746 219 E HN 0.344 nan 8.360 nan 0.000 0.452 220 R N 0.172 120.632 120.500 -0.065 0.000 2.148 220 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 220 R C 2.311 178.572 176.300 -0.065 0.000 1.088 220 R CA 0.678 56.737 56.100 -0.068 0.000 0.985 220 R CB -0.097 30.154 30.300 -0.083 0.000 0.880 220 R HN 0.211 nan 8.270 nan 0.000 0.451 221 I N 0.662 121.192 120.570 -0.066 0.000 2.252 221 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 221 I C 2.647 178.718 176.117 -0.077 0.000 1.102 221 I CA 1.151 62.410 61.300 -0.068 0.000 1.385 221 I CB -0.173 37.791 38.000 -0.059 0.000 1.064 221 I HN 0.204 nan 8.210 nan 0.000 0.414 222 M N 0.854 120.417 119.600 -0.062 0.000 2.108 222 M HA -0.262 4.218 4.480 -0.000 0.000 0.261 222 M C 1.660 177.921 176.300 -0.064 0.000 1.066 222 M CA 1.989 57.253 55.300 -0.060 0.000 1.107 222 M CB -0.225 32.351 32.600 -0.040 0.000 1.356 222 M HN 0.151 nan 8.290 nan 0.000 0.406 223 D N 0.662 121.028 120.400 -0.056 0.000 2.123 223 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 223 D C 2.037 178.299 176.300 -0.063 0.000 0.992 223 D CA 1.430 55.400 54.000 -0.051 0.000 0.833 223 D CB -0.473 40.301 40.800 -0.043 0.000 0.954 223 D HN 0.432 nan 8.370 nan 0.000 0.455 224 L N 0.056 121.231 121.223 -0.079 0.000 2.093 224 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 224 L C 2.416 179.175 176.870 -0.185 0.000 1.085 224 L CA 0.663 55.441 54.840 -0.102 0.000 0.755 224 L CB -0.253 41.748 42.059 -0.097 0.000 0.904 224 L HN 0.025 nan 8.230 nan 0.000 0.435 225 L N -1.041 120.058 121.223 -0.206 0.000 2.418 225 L HA 0.106 4.446 4.340 -0.000 0.000 0.218 225 L C 1.651 178.432 176.870 -0.147 0.000 1.125 225 L CA 0.434 55.114 54.840 -0.266 0.000 0.835 225 L CB -0.798 41.133 42.059 -0.214 0.000 0.953 225 L HN 0.447 nan 8.230 nan 0.000 0.454 226 G N 1.870 110.615 108.800 -0.092 0.000 2.583 226 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.292 226 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.292 226 G C 0.408 175.285 174.900 -0.038 0.000 1.203 226 G CA 0.526 45.595 45.100 -0.050 0.000 0.987 226 G HN 0.527 nan 8.290 nan 0.000 0.554 227 D N 0.703 121.092 120.400 -0.019 0.000 2.378 227 D HA 0.054 4.694 4.640 -0.000 0.000 0.227 227 D C 2.027 178.325 176.300 -0.003 0.000 1.012 227 D CA 0.888 54.885 54.000 -0.005 0.000 0.905 227 D CB -0.269 40.536 40.800 0.009 0.000 0.895 227 D HN 0.631 nan 8.370 nan 0.000 0.532 228 R N -0.094 120.394 120.500 -0.020 0.000 2.189 228 R HA 0.081 4.421 4.340 -0.000 0.000 0.218 228 R C 0.202 176.476 176.300 -0.044 0.000 1.074 228 R CA 0.339 56.427 56.100 -0.021 0.000 0.991 228 R CB 0.185 30.465 30.300 -0.034 0.000 0.883 228 R HN 0.120 nan 8.270 nan 0.000 0.457 229 V N 3.036 122.920 119.914 -0.050 0.000 2.432 229 V HA 0.110 4.230 4.120 -0.000 0.000 0.271 229 V C -0.025 176.041 176.094 -0.047 0.000 1.046 229 V CA -0.341 61.925 62.300 -0.057 0.000 0.945 229 V CB 1.255 33.046 31.823 -0.053 0.000 0.992 229 V HN 0.055 nan 8.190 nan 0.000 0.471 230 K N 6.478 126.836 120.400 -0.069 0.000 2.316 230 K HA 0.550 4.870 4.320 -0.000 0.000 0.267 230 K C -0.746 175.818 176.600 -0.060 0.000 1.025 230 K CA -0.363 55.893 56.287 -0.051 0.000 0.896 230 K CB 2.006 34.469 32.500 -0.061 0.000 1.124 230 K HN 0.498 nan 8.250 nan 0.000 0.451 231 L N 1.631 122.830 121.223 -0.039 0.000 2.399 231 L HA 0.183 4.523 4.340 -0.000 0.000 0.266 231 L C 0.707 177.549 176.870 -0.046 0.000 1.114 231 L CA -0.223 54.590 54.840 -0.045 0.000 0.804 231 L CB 0.265 42.307 42.059 -0.028 0.000 1.146 231 L HN 0.698 nan 8.230 nan 0.000 0.451 232 E N 0.703 120.862 120.200 -0.067 0.000 2.389 232 E HA -0.228 4.122 4.350 -0.000 0.000 0.243 232 E C -0.495 176.064 176.600 -0.068 0.000 1.154 232 E CA 0.297 56.655 56.400 -0.070 0.000 0.723 232 E CB -0.794 28.882 29.700 -0.040 0.000 1.261 232 E HN 0.383 nan 8.360 nan 0.000 0.390 233 R N 0.147 120.592 120.500 -0.091 0.000 2.724 233 R HA 0.241 4.581 4.340 -0.000 0.000 0.284 233 R C -2.698 173.536 176.300 -0.110 0.000 1.481 233 R CA -1.929 54.129 56.100 -0.070 0.000 1.652 233 R CB 0.570 30.836 30.300 -0.057 0.000 1.175 233 R HN -0.008 nan 8.270 nan 0.000 0.613 234 P HA -0.007 nan 4.420 nan 0.000 0.267 234 P C -0.275 177.004 177.300 -0.035 0.000 1.209 234 P CA -0.089 62.919 63.100 -0.154 0.000 0.763 234 P CB 0.863 32.487 31.700 -0.128 0.000 0.816 235 V N 5.541 125.441 119.914 -0.024 0.000 2.555 235 V HA 0.059 4.179 4.120 -0.000 0.000 0.286 235 V C 1.707 177.834 176.094 0.056 0.000 1.044 235 V CA 0.406 62.717 62.300 0.017 0.000 1.026 235 V CB 0.392 32.210 31.823 -0.008 0.000 0.981 235 V HN 0.535 nan 8.190 nan 0.000 0.480 236 I N 1.856 122.478 120.570 0.087 0.000 4.323 236 I HA 0.453 4.623 4.170 -0.000 0.000 0.328 236 I C -0.018 176.207 176.117 0.180 0.000 1.310 236 I CA 0.130 61.510 61.300 0.133 0.000 1.186 236 I CB 0.611 38.681 38.000 0.116 0.000 1.130 236 I HN 0.495 nan 8.210 nan 0.000 0.411 237 Y N 1.759 122.023 120.300 -0.060 0.000 2.436 237 Y HA 0.681 5.231 4.550 -0.000 0.000 0.327 237 Y C -1.922 173.910 175.900 -0.114 0.000 1.138 237 Y CA -1.596 56.447 58.100 -0.094 0.000 1.042 237 Y CB 1.607 40.043 38.460 -0.039 0.000 1.302 237 Y HN -0.011 nan 8.280 nan 0.000 0.439 238 I N 5.809 125.981 120.570 -0.662 0.000 2.478 238 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 238 I C -1.378 174.365 176.117 -0.623 0.000 1.042 238 I CA -0.701 60.291 61.300 -0.513 0.000 1.067 238 I CB 1.859 39.707 38.000 -0.254 0.000 1.233 238 I HN 0.518 nan 8.210 nan 0.000 0.431 239 D N 5.996 126.084 120.400 -0.520 0.000 2.408 239 D HA 0.280 4.920 4.640 -0.000 0.000 0.243 239 D C -0.269 175.962 176.300 -0.115 0.000 1.075 239 D CA -0.176 53.619 54.000 -0.341 0.000 0.832 239 D CB 1.719 42.354 40.800 -0.275 0.000 1.162 239 D HN 0.515 nan 8.370 nan 0.000 0.515 240 Q N 1.732 121.505 119.800 -0.046 0.000 2.155 240 Q HA 0.075 4.415 4.340 -0.000 0.000 0.220 240 Q C 1.201 177.200 176.000 -0.001 0.000 0.819 240 Q CA -0.004 55.792 55.803 -0.013 0.000 1.032 240 Q CB 0.856 29.601 28.738 0.012 0.000 1.151 240 Q HN 0.574 nan 8.270 nan 0.000 0.487 241 T N -2.452 112.105 114.554 0.006 0.000 3.023 241 T HA 0.089 4.439 4.350 -0.000 0.000 0.266 241 T C 1.025 175.731 174.700 0.009 0.000 1.093 241 T CA 0.373 62.483 62.100 0.017 0.000 1.129 241 T CB 0.330 69.217 68.868 0.033 0.000 0.899 241 T HN 0.051 nan 8.240 nan 0.000 0.491 242 R N 0.215 120.717 120.500 0.002 0.000 2.893 242 R HA 0.446 4.786 4.340 -0.000 0.000 0.245 242 R C 1.509 177.800 176.300 -0.016 0.000 1.192 242 R CA -0.726 55.373 56.100 -0.002 0.000 1.077 242 R CB 0.781 31.083 30.300 0.003 0.000 1.253 242 R HN 0.119 nan 8.270 nan 0.000 0.505 243 E N 0.734 120.923 120.200 -0.018 0.000 2.065 243 E HA -0.204 4.146 4.350 -0.000 0.000 0.201 243 E C -0.302 176.267 176.600 -0.052 0.000 1.016 243 E CA 1.389 57.770 56.400 -0.031 0.000 0.818 243 E CB 0.121 29.807 29.700 -0.024 0.000 0.749 243 E HN 0.296 nan 8.360 nan 0.000 0.453 244 N N 0.134 118.808 118.700 -0.044 0.000 2.405 244 N HA 0.175 4.915 4.740 -0.000 0.000 0.299 244 N C -0.933 174.550 175.510 -0.044 0.000 1.075 244 N CA -0.356 52.660 53.050 -0.056 0.000 0.884 244 N CB 2.079 40.544 38.487 -0.037 0.000 1.194 244 N HN -0.139 nan 8.380 nan 0.000 0.491 245 V N 2.228 122.109 119.914 -0.055 0.000 2.572 245 V HA 0.141 4.261 4.120 -0.000 0.000 0.291 245 V C 0.520 176.606 176.094 -0.013 0.000 1.039 245 V CA -0.200 62.078 62.300 -0.036 0.000 1.055 245 V CB 0.157 31.960 31.823 -0.032 0.000 0.969 245 V HN 0.380 nan 8.190 nan 0.000 0.482 246 L N 5.570 126.780 121.223 -0.022 0.000 2.296 246 L HA 0.575 4.915 4.340 -0.000 0.000 0.286 246 L C -0.594 176.268 176.870 -0.014 0.000 1.023 246 L CA -0.456 54.387 54.840 0.006 0.000 0.812 246 L CB 1.810 43.885 42.059 0.026 0.000 1.223 246 L HN 0.390 nan 8.230 nan 0.000 0.421 247 V N 2.889 122.841 119.914 0.063 0.000 2.444 247 V HA 0.384 4.504 4.120 -0.000 0.000 0.294 247 V C -0.270 175.933 176.094 0.182 0.000 1.022 247 V CA -0.645 61.701 62.300 0.077 0.000 0.850 247 V CB 1.740 33.606 31.823 0.072 0.000 0.992 247 V HN 0.729 nan 8.190 nan 0.000 0.426 248 E N 2.967 123.277 120.200 0.184 0.000 2.195 248 E HA 0.668 5.018 4.350 -0.000 0.000 0.271 248 E C -0.343 176.366 176.600 0.183 0.000 0.923 248 E CA -0.480 56.052 56.400 0.221 0.000 0.790 248 E CB 1.965 31.825 29.700 0.266 0.000 1.155 248 E HN 0.831 nan 8.360 nan 0.000 0.402 249 T N 0.997 115.659 114.554 0.180 0.000 2.948 249 T HA 0.194 4.544 4.350 -0.000 0.000 0.285 249 T C 1.018 175.769 174.700 0.084 0.000 1.019 249 T CA -0.849 61.322 62.100 0.118 0.000 1.013 249 T CB 1.047 69.987 68.868 0.121 0.000 1.117 249 T HN 0.435 nan 8.240 nan 0.000 0.533 250 L N 1.610 122.856 121.223 0.038 0.000 2.127 250 L HA -0.062 4.278 4.340 -0.000 0.000 0.211 250 L C 1.856 178.640 176.870 -0.145 0.000 1.089 250 L CA 2.077 56.918 54.840 0.001 0.000 0.757 250 L CB -1.353 40.712 42.059 0.010 0.000 0.899 250 L HN 0.908 nan 8.230 nan 0.000 0.434 251 N N -2.564 116.042 118.700 -0.156 0.000 2.501 251 N HA -0.077 4.663 4.740 -0.000 0.000 0.195 251 N C 0.184 175.491 175.510 -0.339 0.000 1.213 251 N CA 0.640 53.504 53.050 -0.310 0.000 0.864 251 N CB -0.461 37.941 38.487 -0.143 0.000 0.999 251 N HN 0.595 nan 8.380 nan 0.000 0.454 252 H N -2.744 116.338 119.070 0.019 0.000 3.642 252 H HA -0.169 4.387 4.556 0.000 0.000 0.185 252 H C -0.704 174.624 175.328 -0.001 0.000 0.992 252 H CA 0.577 56.627 56.048 0.004 0.000 1.216 252 H CB -1.687 28.066 29.762 -0.016 0.000 1.055 252 H HN 0.476 nan 8.280 nan 0.000 0.351 253 E N 1.801 122.053 120.200 0.087 0.000 2.415 253 E HA 0.157 4.507 4.350 -0.000 0.000 0.262 253 E C 0.338 176.925 176.600 -0.023 0.000 1.038 253 E CA 0.294 56.693 56.400 -0.003 0.000 0.921 253 E CB 0.502 30.222 29.700 0.034 0.000 0.950 253 E HN 0.140 nan 8.360 nan 0.000 0.438 254 M N 2.663 122.129 119.600 -0.223 0.000 2.321 254 M HA 0.335 4.815 4.480 -0.000 0.000 0.315 254 M C -1.280 174.793 176.300 -0.377 0.000 1.052 254 M CA -0.572 54.645 55.300 -0.139 0.000 0.936 254 M CB 1.080 33.640 32.600 -0.066 0.000 1.639 254 M HN 0.440 nan 8.290 nan 0.000 0.433 255 Y N 0.323 120.638 120.300 0.024 0.000 2.409 255 Y HA 0.461 5.011 4.550 -0.000 0.000 0.343 255 Y C -0.048 175.857 175.900 0.007 0.000 0.973 255 Y CA -0.644 57.464 58.100 0.013 0.000 1.064 255 Y CB 1.910 40.376 38.460 0.010 0.000 1.207 255 Y HN 0.590 nan 8.280 nan 0.000 0.452 256 E N 1.839 122.114 120.200 0.125 0.000 2.187 256 E HA 0.841 5.191 4.350 -0.000 0.000 0.268 256 E C -1.301 175.336 176.600 0.062 0.000 0.896 256 E CA -0.704 55.735 56.400 0.065 0.000 0.766 256 E CB 1.436 31.152 29.700 0.025 0.000 1.142 256 E HN 0.748 nan 8.360 nan 0.000 0.408 257 A N 3.106 125.944 122.820 0.030 0.000 2.594 257 A HA 0.359 4.679 4.320 -0.000 0.000 0.291 257 A C -0.050 177.500 177.584 -0.057 0.000 1.105 257 A CA -0.651 51.395 52.037 0.014 0.000 0.694 257 A CB 1.417 20.443 19.000 0.044 0.000 1.291 257 A HN 0.651 nan 8.150 nan 0.000 0.410 258 K N -0.711 119.633 120.400 -0.094 0.000 2.116 258 K HA 0.102 4.422 4.320 -0.000 0.000 0.203 258 K C -0.615 175.620 176.600 -0.608 0.000 1.052 258 K CA 1.463 57.548 56.287 -0.336 0.000 0.952 258 K CB -0.057 32.270 32.500 -0.288 0.000 0.729 258 K HN 0.612 nan 8.250 nan 0.000 0.446 259 Y N -1.041 119.278 120.300 0.031 0.000 2.615 259 Y HA 0.417 4.967 4.550 0.000 0.000 0.341 259 Y C -0.618 175.305 175.900 0.038 0.000 1.089 259 Y CA -1.330 56.803 58.100 0.056 0.000 1.049 259 Y CB 1.915 40.395 38.460 0.035 0.000 1.296 259 Y HN -0.415 nan 8.280 nan 0.000 0.470 260 V N 3.044 123.095 119.914 0.229 0.000 2.656 260 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 260 V C -0.671 175.469 176.094 0.076 0.000 1.051 260 V CA -0.875 61.487 62.300 0.103 0.000 0.893 260 V CB 2.140 33.991 31.823 0.046 0.000 0.999 260 V HN 0.545 nan 8.190 nan 0.000 0.426 261 I N 2.837 123.422 120.570 0.025 0.000 2.330 261 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 261 I C 0.318 176.420 176.117 -0.025 0.000 1.001 261 I CA -0.146 61.148 61.300 -0.009 0.000 1.193 261 I CB 1.824 39.827 38.000 0.004 0.000 1.345 261 I HN 0.603 nan 8.210 nan 0.000 0.461 262 S N 5.401 121.052 115.700 -0.082 0.000 2.416 262 S HA 0.496 4.966 4.470 -0.000 0.000 0.287 262 S C 0.442 175.117 174.600 0.125 0.000 1.139 262 S CA -0.453 57.772 58.200 0.040 0.000 1.058 262 S CB 0.489 63.745 63.200 0.095 0.000 0.967 262 S HN 0.718 nan 8.310 nan 0.000 0.495 263 A N 6.016 128.902 122.820 0.110 0.000 2.911 263 A HA 0.479 4.799 4.320 -0.000 0.000 0.304 263 A C 0.242 177.903 177.584 0.128 0.000 1.144 263 A CA -0.692 51.416 52.037 0.119 0.000 0.988 263 A CB -0.520 18.526 19.000 0.077 0.000 1.141 263 A HN 0.908 nan 8.150 nan 0.000 0.552 264 I N -4.000 116.665 120.570 0.158 0.000 2.846 264 I HA 0.681 4.851 4.170 -0.000 0.000 0.307 264 I C -2.919 173.294 176.117 0.160 0.000 1.053 264 I CA -3.115 58.276 61.300 0.151 0.000 1.050 264 I CB 1.673 39.764 38.000 0.151 0.000 1.239 264 I HN -0.155 nan 8.210 nan 0.000 0.439 265 P HA 0.090 nan 4.420 nan 0.000 0.263 265 P C -2.160 175.196 177.300 0.092 0.000 1.175 265 P CA -0.530 62.638 63.100 0.114 0.000 0.761 265 P CB -0.071 31.683 31.700 0.090 0.000 0.794 266 P HA -0.227 nan 4.420 nan 0.000 0.216 266 P C 1.610 178.897 177.300 -0.021 0.000 1.157 266 P CA 1.890 64.999 63.100 0.015 0.000 0.880 266 P CB -0.285 31.393 31.700 -0.037 0.000 0.791 267 T N -1.383 113.132 114.554 -0.064 0.000 2.929 267 T HA -0.065 4.285 4.350 -0.000 0.000 0.271 267 T C 1.517 176.209 174.700 -0.014 0.000 1.085 267 T CA 0.732 62.783 62.100 -0.081 0.000 1.125 267 T CB -0.816 67.969 68.868 -0.139 0.000 0.874 267 T HN -0.036 nan 8.240 nan 0.000 0.494 268 L N 0.295 121.540 121.223 0.035 0.000 2.465 268 L HA 0.150 4.490 4.340 -0.000 0.000 0.224 268 L C 2.820 179.764 176.870 0.123 0.000 1.145 268 L CA 0.701 55.589 54.840 0.081 0.000 0.834 268 L CB -0.714 41.416 42.059 0.119 0.000 0.944 268 L HN 0.343 nan 8.230 nan 0.000 0.451 269 G N -0.137 108.749 108.800 0.143 0.000 2.501 269 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 269 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 269 G C 1.597 176.638 174.900 0.235 0.000 1.114 269 G CA 0.237 45.481 45.100 0.240 0.000 0.757 269 G HN 0.144 nan 8.290 nan 0.000 0.559 270 M N 0.364 120.030 119.600 0.110 0.000 2.358 270 M HA 0.012 4.492 4.480 -0.000 0.000 0.264 270 M C 2.080 178.394 176.300 0.022 0.000 1.064 270 M CA 0.974 56.306 55.300 0.053 0.000 1.093 270 M CB -0.477 32.118 32.600 -0.009 0.000 1.401 270 M HN 0.232 nan 8.290 nan 0.000 0.440 271 K N 0.003 120.440 120.400 0.061 0.000 2.525 271 K HA 0.142 4.462 4.320 -0.000 0.000 0.192 271 K C 0.333 176.980 176.600 0.077 0.000 1.029 271 K CA 0.425 56.757 56.287 0.074 0.000 1.029 271 K CB 0.155 32.734 32.500 0.132 0.000 0.814 271 K HN 0.319 nan 8.250 nan 0.000 0.503 272 I N 1.181 121.757 120.570 0.009 0.000 2.404 272 I HA 0.126 4.296 4.170 -0.000 0.000 0.293 272 I C 0.115 176.075 176.117 -0.263 0.000 0.992 272 I CA -0.757 60.456 61.300 -0.144 0.000 1.149 272 I CB 1.362 39.126 38.000 -0.394 0.000 1.315 272 I HN 0.039 nan 8.210 nan 0.000 0.446 273 H N 6.105 125.075 119.070 -0.167 0.000 2.562 273 H HA 0.332 4.888 4.556 -0.000 0.000 0.314 273 H C -1.079 174.164 175.328 -0.141 0.000 1.079 273 H CA -0.160 55.886 56.048 -0.003 0.000 1.349 273 H CB 1.057 30.904 29.762 0.141 0.000 1.432 273 H HN 0.323 nan 8.280 nan 0.000 0.479 274 F N 1.952 122.007 119.950 0.175 0.000 2.443 274 F HA 0.169 4.696 4.527 -0.000 0.000 0.335 274 F C 0.603 176.450 175.800 0.079 0.000 1.104 274 F CA -0.712 57.325 58.000 0.063 0.000 1.013 274 F CB 1.367 40.389 39.000 0.036 0.000 1.136 274 F HN 0.475 nan 8.300 nan 0.000 0.470 275 N N 4.221 123.016 118.700 0.158 0.000 2.480 275 N HA 0.419 5.159 4.740 -0.000 0.000 0.289 275 N C -3.045 172.512 175.510 0.078 0.000 1.073 275 N CA -2.271 50.859 53.050 0.134 0.000 0.885 275 N CB 2.142 40.735 38.487 0.175 0.000 1.421 275 N HN 0.064 nan 8.380 nan 0.000 0.503 276 P HA 0.339 nan 4.420 nan 0.000 0.275 276 P C -2.666 174.708 177.300 0.124 0.000 1.266 276 P CA -1.091 62.066 63.100 0.096 0.000 0.793 276 P CB -0.372 31.363 31.700 0.059 0.000 1.074 277 P HA 0.066 nan 4.420 nan 0.000 0.267 277 P C 0.125 177.437 177.300 0.020 0.000 1.200 277 P CA 0.315 63.474 63.100 0.099 0.000 0.772 277 P CB 0.142 31.884 31.700 0.069 0.000 0.855 278 L N 3.924 125.111 121.223 -0.060 0.000 2.499 278 L HA 0.075 4.415 4.340 -0.000 0.000 0.281 278 L C -1.600 175.215 176.870 -0.091 0.000 1.234 278 L CA -1.410 53.325 54.840 -0.175 0.000 0.839 278 L CB -0.727 41.144 42.059 -0.314 0.000 1.104 278 L HN 0.311 nan 8.230 nan 0.000 0.500 279 P HA -0.063 nan 4.420 nan 0.000 0.268 279 P C 0.634 177.901 177.300 -0.055 0.000 1.208 279 P CA -0.210 62.855 63.100 -0.058 0.000 0.777 279 P CB 0.456 32.120 31.700 -0.060 0.000 0.875 280 M N 1.792 121.372 119.600 -0.034 0.000 2.106 280 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 280 M C 1.162 177.466 176.300 0.006 0.000 1.068 280 M CA 2.277 57.568 55.300 -0.016 0.000 1.100 280 M CB -0.389 32.205 32.600 -0.010 0.000 1.351 280 M HN 0.164 nan 8.290 nan 0.000 0.404 281 M N -0.150 119.448 119.600 -0.003 0.000 2.132 281 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 281 M C 2.318 178.657 176.300 0.064 0.000 1.065 281 M CA 1.778 57.112 55.300 0.056 0.000 1.122 281 M CB -1.477 31.100 32.600 -0.038 0.000 1.365 281 M HN 0.438 nan 8.290 nan 0.000 0.411 282 R N 0.382 120.850 120.500 -0.054 0.000 2.075 282 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 282 R C 2.009 178.226 176.300 -0.138 0.000 1.126 282 R CA 1.742 57.763 56.100 -0.132 0.000 0.963 282 R CB -0.237 29.931 30.300 -0.220 0.000 0.858 282 R HN 0.336 nan 8.270 nan 0.000 0.435 283 N N 0.397 119.031 118.700 -0.110 0.000 2.060 283 N HA -0.241 4.499 4.740 -0.000 0.000 0.195 283 N C 1.628 177.077 175.510 -0.101 0.000 1.028 283 N CA 2.043 55.036 53.050 -0.094 0.000 0.861 283 N CB 0.008 38.462 38.487 -0.057 0.000 1.029 283 N HN 0.366 nan 8.380 nan 0.000 0.428 284 Q N -1.161 118.588 119.800 -0.086 0.000 2.163 284 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 284 Q C 1.987 177.749 176.000 -0.397 0.000 0.954 284 Q CA 0.609 56.310 55.803 -0.169 0.000 0.851 284 Q CB -0.106 28.604 28.738 -0.048 0.000 0.928 284 Q HN 0.495 nan 8.270 nan 0.000 0.459 285 M N 1.624 120.994 119.600 -0.385 0.000 2.106 285 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 285 M C 2.010 178.082 176.300 -0.380 0.000 1.068 285 M CA 1.687 56.698 55.300 -0.482 0.000 1.100 285 M CB -0.492 31.996 32.600 -0.186 0.000 1.351 285 M HN 0.309 nan 8.290 nan 0.000 0.404 286 I N -1.593 118.818 120.570 -0.264 0.000 3.334 286 I HA -0.079 4.091 4.170 -0.000 0.000 0.282 286 I C 1.439 177.428 176.117 -0.212 0.000 1.313 286 I CA 1.391 62.564 61.300 -0.212 0.000 1.396 286 I CB -1.000 36.921 38.000 -0.132 0.000 1.054 286 I HN 0.318 nan 8.210 nan 0.000 0.495 287 T N -2.606 111.800 114.554 -0.247 0.000 3.069 287 T HA 0.294 4.644 4.350 -0.000 0.000 0.252 287 T C 1.472 176.002 174.700 -0.283 0.000 1.053 287 T CA -0.235 61.730 62.100 -0.224 0.000 0.964 287 T CB -0.018 68.742 68.868 -0.179 0.000 1.005 287 T HN 0.404 nan 8.240 nan 0.000 0.532 288 R N 0.911 121.183 120.500 -0.380 0.000 2.472 288 R HA 0.320 4.660 4.340 -0.000 0.000 0.279 288 R C -0.065 175.913 176.300 -0.537 0.000 0.953 288 R CA 0.022 55.865 56.100 -0.429 0.000 1.088 288 R CB 1.329 31.314 30.300 -0.524 0.000 1.197 288 R HN 0.432 nan 8.270 nan 0.000 0.536 289 V N -0.684 118.894 119.914 -0.559 0.000 2.383 289 V HA 0.478 4.598 4.120 -0.000 0.000 0.261 289 V C -2.717 173.013 176.094 -0.608 0.000 0.987 289 V CA -2.432 59.422 62.300 -0.744 0.000 0.853 289 V CB 0.665 32.001 31.823 -0.812 0.000 1.095 289 V HN -0.123 nan 8.190 nan 0.000 0.461 290 P HA 0.488 nan 4.420 nan 0.000 0.274 290 P C -0.592 176.380 177.300 -0.547 0.000 1.256 290 P CA -0.310 62.450 63.100 -0.566 0.000 0.795 290 P CB 1.528 32.883 31.700 -0.574 0.000 1.038 291 L N 0.192 121.271 121.223 -0.240 0.000 2.344 291 L HA 0.575 4.915 4.340 -0.000 0.000 0.272 291 L C 1.476 178.389 176.870 0.071 0.000 1.035 291 L CA -0.162 54.635 54.840 -0.071 0.000 0.807 291 L CB 0.551 42.603 42.059 -0.012 0.000 1.237 291 L HN 0.464 nan 8.230 nan 0.000 0.442 292 G N 0.138 109.014 108.800 0.127 0.000 2.631 292 G HA2 0.388 4.348 3.960 -0.000 0.000 0.271 292 G HA3 0.388 4.348 3.960 -0.000 0.000 0.271 292 G C -0.731 174.165 174.900 -0.005 0.000 1.302 292 G CA -0.376 44.765 45.100 0.068 0.000 1.002 292 G HN 0.507 nan 8.290 nan 0.000 0.519 293 S N -1.379 114.288 115.700 -0.056 0.000 2.605 293 S HA 0.578 5.048 4.470 -0.000 0.000 0.308 293 S C -1.009 173.565 174.600 -0.044 0.000 1.113 293 S CA -0.504 57.688 58.200 -0.014 0.000 1.049 293 S CB 1.673 64.879 63.200 0.010 0.000 1.001 293 S HN 0.799 nan 8.310 nan 0.000 0.480 294 V N 4.771 124.707 119.914 0.037 0.000 2.969 294 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 294 V C -1.932 174.308 176.094 0.243 0.000 1.192 294 V CA -0.789 61.563 62.300 0.088 0.000 0.962 294 V CB 1.821 33.615 31.823 -0.048 0.000 1.045 294 V HN 0.874 nan 8.190 nan 0.000 0.428 295 I N 5.132 125.859 120.570 0.261 0.000 2.362 295 I HA 0.516 4.686 4.170 -0.000 0.000 0.289 295 I C -0.180 176.181 176.117 0.407 0.000 0.994 295 I CA -0.586 60.895 61.300 0.301 0.000 1.158 295 I CB 1.675 39.793 38.000 0.197 0.000 1.315 295 I HN 0.505 nan 8.210 nan 0.000 0.451 296 K N 5.803 126.485 120.400 0.469 0.000 2.248 296 K HA 0.553 4.873 4.320 -0.000 0.000 0.281 296 K C -1.407 175.336 176.600 0.238 0.000 1.054 296 K CA -0.307 56.248 56.287 0.447 0.000 0.903 296 K CB 0.798 33.627 32.500 0.548 0.000 1.077 296 K HN 0.694 nan 8.250 nan 0.000 0.474 297 C N 5.472 124.874 119.300 0.171 0.000 2.441 297 C HA 0.557 5.017 4.460 -0.000 0.000 0.318 297 C C -0.782 174.271 174.990 0.104 0.000 1.222 297 C CA -1.105 57.998 59.018 0.142 0.000 1.474 297 C CB -0.030 27.903 27.740 0.321 0.000 2.125 297 C HN 0.722 nan 8.230 nan 0.000 0.479 298 I N 3.182 123.766 120.570 0.022 0.000 2.410 298 I HA 0.403 4.573 4.170 -0.000 0.000 0.286 298 I C -0.226 175.914 176.117 0.038 0.000 1.009 298 I CA -0.114 61.161 61.300 -0.041 0.000 1.111 298 I CB 1.382 39.303 38.000 -0.131 0.000 1.262 298 I HN 0.356 nan 8.210 nan 0.000 0.443 299 V N 6.779 126.726 119.914 0.056 0.000 2.394 299 V HA 0.363 4.482 4.120 -0.000 0.000 0.282 299 V C -0.553 175.410 176.094 -0.218 0.000 1.031 299 V CA -0.670 61.677 62.300 0.079 0.000 0.881 299 V CB 0.705 32.623 31.823 0.159 0.000 0.982 299 V HN 0.406 nan 8.190 nan 0.000 0.451 300 Y N 4.112 124.382 120.300 -0.050 0.000 2.352 300 Y HA 0.663 5.213 4.550 -0.000 0.000 0.326 300 Y C -0.245 175.528 175.900 -0.211 0.000 1.166 300 Y CA -0.318 57.796 58.100 0.023 0.000 1.182 300 Y CB 1.354 39.917 38.460 0.172 0.000 1.216 300 Y HN 0.532 nan 8.280 nan 0.000 0.474 301 Y N -0.173 120.375 120.300 0.414 0.000 2.609 301 Y HA 0.291 4.841 4.550 -0.000 0.000 0.342 301 Y C 1.048 177.091 175.900 0.239 0.000 1.058 301 Y CA -1.386 56.926 58.100 0.353 0.000 1.055 301 Y CB 1.907 40.668 38.460 0.503 0.000 1.292 301 Y HN 0.482 nan 8.280 nan 0.000 0.476 302 K N 0.358 120.969 120.400 0.353 0.000 2.057 302 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 302 K C -0.533 176.138 176.600 0.119 0.000 1.049 302 K CA 1.632 58.025 56.287 0.175 0.000 0.931 302 K CB 0.216 32.791 32.500 0.124 0.000 0.714 302 K HN 0.709 nan 8.250 nan 0.000 0.440 303 E N -1.042 119.244 120.200 0.144 0.000 2.393 303 E HA 0.202 4.552 4.350 -0.000 0.000 0.273 303 E C -2.669 173.811 176.600 -0.200 0.000 0.918 303 E CA -2.249 54.144 56.400 -0.012 0.000 0.773 303 E CB 2.151 31.832 29.700 -0.032 0.000 1.275 303 E HN -0.094 nan 8.360 nan 0.000 0.451 304 P HA 0.039 nan 4.420 nan 0.000 0.230 304 P C 0.231 176.608 177.300 -1.537 0.000 1.791 304 P CA -0.061 62.117 63.100 -1.536 0.000 1.020 304 P CB -0.886 30.200 31.700 -1.024 0.000 1.977 305 F N 0.082 119.496 119.950 -0.893 0.000 2.236 305 F HA -0.166 4.361 4.527 -0.000 0.000 0.302 305 F C 1.760 177.394 175.800 -0.277 0.000 1.073 305 F CA 0.179 57.931 58.000 -0.414 0.000 1.336 305 F CB -1.822 37.060 39.000 -0.196 0.000 1.040 305 F HN 0.136 nan 8.300 nan 0.000 0.507 306 W N 1.428 122.377 121.300 -0.585 0.000 2.350 306 W HA -0.031 4.629 4.660 -0.000 0.000 0.289 306 W C 2.068 178.525 176.519 -0.104 0.000 1.215 306 W CA 1.063 58.258 57.345 -0.249 0.000 1.236 306 W CB -1.174 28.075 29.460 -0.353 0.000 1.130 306 W HN -0.118 nan 8.180 nan 0.000 0.541 307 R N 1.208 121.487 120.500 -0.368 0.000 2.120 307 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 307 R C 2.015 178.232 176.300 -0.138 0.000 1.123 307 R CA 1.849 57.839 56.100 -0.184 0.000 0.975 307 R CB -0.474 29.663 30.300 -0.272 0.000 0.866 307 R HN 0.312 nan 8.270 nan 0.000 0.446 308 K N 0.635 120.947 120.400 -0.146 0.000 2.283 308 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 308 K C 1.347 177.877 176.600 -0.116 0.000 1.048 308 K CA 0.926 57.151 56.287 -0.103 0.000 0.948 308 K CB 0.088 32.547 32.500 -0.068 0.000 0.742 308 K HN 0.100 nan 8.250 nan 0.000 0.458 309 K N 0.947 121.249 120.400 -0.164 0.000 2.437 309 K HA -0.027 4.293 4.320 -0.000 0.000 0.198 309 K C -0.531 175.743 176.600 -0.543 0.000 1.024 309 K CA 0.087 56.166 56.287 -0.347 0.000 1.148 309 K CB 0.287 32.528 32.500 -0.430 0.000 0.860 309 K HN 0.014 nan 8.250 nan 0.000 0.515 310 D N 0.253 120.484 120.400 -0.283 0.000 2.800 310 D HA -0.218 4.422 4.640 -0.000 0.000 0.232 310 D C -1.369 174.880 176.300 -0.085 0.000 1.137 310 D CA 0.909 54.808 54.000 -0.168 0.000 0.718 310 D CB -1.410 39.313 40.800 -0.128 0.000 1.084 310 D HN 0.347 nan 8.370 nan 0.000 0.432 311 Y N -0.820 119.515 120.300 0.059 0.000 2.352 311 Y HA 0.315 4.865 4.550 -0.000 0.000 0.339 311 Y C 2.071 178.045 175.900 0.123 0.000 0.992 311 Y CA -0.962 57.176 58.100 0.062 0.000 1.100 311 Y CB 1.238 39.743 38.460 0.075 0.000 1.192 311 Y HN 0.252 nan 8.280 nan 0.000 0.458 312 C N -0.917 118.501 119.300 0.196 0.000 2.468 312 C HA 0.432 4.892 4.460 -0.000 0.000 0.277 312 C C 1.724 176.770 174.990 0.093 0.000 1.400 312 C CA 0.662 59.767 59.018 0.145 0.000 1.770 312 C CB -0.869 26.883 27.740 0.020 0.000 1.905 312 C HN 1.215 nan 8.230 nan 0.000 0.519 313 G N -0.426 108.268 108.800 -0.175 0.000 2.229 313 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.189 313 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.189 313 G C 0.016 174.584 174.900 -0.554 0.000 1.000 313 G CA 0.163 44.858 45.100 -0.675 0.000 0.663 313 G HN 0.542 nan 8.290 nan 0.000 0.493 314 T N 2.328 116.656 114.554 -0.375 0.000 2.794 314 T HA 0.643 4.993 4.350 -0.000 0.000 0.296 314 T C 0.263 174.765 174.700 -0.330 0.000 0.949 314 T CA 0.575 62.437 62.100 -0.397 0.000 1.101 314 T CB 0.863 69.556 68.868 -0.291 0.000 0.905 314 T HN 0.278 nan 8.240 nan 0.000 0.516 315 M N 3.958 123.347 119.600 -0.352 0.000 2.327 315 M HA 0.497 4.977 4.480 -0.000 0.000 0.298 315 M C -1.013 175.300 176.300 0.021 0.000 1.065 315 M CA -0.603 54.611 55.300 -0.143 0.000 0.916 315 M CB 2.263 34.751 32.600 -0.185 0.000 1.630 315 M HN 0.410 nan 8.290 nan 0.000 0.442 316 I N 4.592 125.323 120.570 0.269 0.000 2.354 316 I HA 0.447 4.617 4.170 -0.000 0.000 0.286 316 I C -0.894 175.496 176.117 0.456 0.000 1.007 316 I CA -0.221 61.343 61.300 0.440 0.000 1.167 316 I CB 1.024 39.310 38.000 0.478 0.000 1.320 316 I HN 0.588 nan 8.210 nan 0.000 0.458 317 I N 5.214 126.006 120.570 0.370 0.000 2.382 317 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 317 I C -0.395 175.897 176.117 0.293 0.000 1.007 317 I CA -0.533 60.957 61.300 0.317 0.000 1.142 317 I CB 1.221 39.346 38.000 0.209 0.000 1.289 317 I HN 0.446 nan 8.210 nan 0.000 0.453 318 D N 4.861 125.433 120.400 0.288 0.000 2.255 318 D HA 0.616 5.256 4.640 -0.000 0.000 0.249 318 D C 0.162 176.570 176.300 0.181 0.000 1.078 318 D CA 0.621 54.755 54.000 0.223 0.000 0.896 318 D CB 1.971 42.883 40.800 0.186 0.000 1.194 318 D HN 0.823 nan 8.370 nan 0.000 0.429 319 G N 2.440 111.327 108.800 0.146 0.000 2.627 319 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.680 319 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.680 319 G C 0.500 175.470 174.900 0.117 0.000 1.341 319 G CA -0.114 45.059 45.100 0.121 0.000 0.835 319 G HN 0.404 nan 8.290 nan 0.000 0.643 320 E N 0.437 120.700 120.200 0.106 0.000 2.110 320 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 320 E C 2.166 178.823 176.600 0.095 0.000 0.988 320 E CA 2.538 59.009 56.400 0.118 0.000 0.804 320 E CB 0.014 29.780 29.700 0.110 0.000 0.745 320 E HN 0.697 nan 8.360 nan 0.000 0.458 321 E N 0.417 120.665 120.200 0.080 0.000 2.150 321 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 321 E C 0.512 177.141 176.600 0.049 0.000 0.985 321 E CA 0.914 57.350 56.400 0.061 0.000 0.814 321 E CB -0.388 29.347 29.700 0.059 0.000 0.752 321 E HN 0.278 nan 8.360 nan 0.000 0.466 322 A N 2.666 125.525 122.820 0.065 0.000 2.451 322 A HA 0.158 4.478 4.320 -0.000 0.000 0.266 322 A C -1.373 176.233 177.584 0.037 0.000 1.119 322 A CA -1.155 50.913 52.037 0.051 0.000 0.786 322 A CB 0.162 19.214 19.000 0.087 0.000 1.061 322 A HN 0.004 nan 8.150 nan 0.000 0.503 323 P HA -0.047 nan 4.420 nan 0.000 0.217 323 P C 0.271 177.600 177.300 0.049 0.000 1.150 323 P CA 0.981 64.084 63.100 0.005 0.000 0.832 323 P CB 0.068 31.753 31.700 -0.026 0.000 0.787 324 V N 0.061 120.022 119.914 0.077 0.000 2.459 324 V HA 0.484 4.604 4.120 -0.000 0.000 0.295 324 V C 1.167 177.376 176.094 0.193 0.000 1.029 324 V CA -0.078 62.319 62.300 0.161 0.000 0.874 324 V CB 1.363 33.309 31.823 0.205 0.000 0.985 324 V HN -0.018 nan 8.190 nan 0.000 0.438 325 A N 4.264 127.232 122.820 0.245 0.000 2.252 325 A HA 0.356 4.676 4.320 -0.000 0.000 0.213 325 A C 0.102 177.920 177.584 0.390 0.000 1.188 325 A CA 0.493 52.697 52.037 0.278 0.000 0.863 325 A CB 0.214 19.363 19.000 0.249 0.000 0.893 325 A HN 0.749 nan 8.150 nan 0.000 0.495 326 Y N -0.140 120.288 120.300 0.213 0.000 2.482 326 Y HA 0.474 5.024 4.550 -0.000 0.000 0.334 326 Y C -0.456 175.485 175.900 0.068 0.000 1.091 326 Y CA -0.417 57.789 58.100 0.176 0.000 1.027 326 Y CB 1.580 40.201 38.460 0.268 0.000 1.306 326 Y HN 0.129 nan 8.280 nan 0.000 0.446 327 T N 3.705 117.935 114.554 -0.540 0.000 2.906 327 T HA 0.872 5.222 4.350 -0.000 0.000 0.295 327 T C -1.559 172.689 174.700 -0.754 0.000 1.075 327 T CA -0.836 60.931 62.100 -0.554 0.000 1.005 327 T CB 1.882 70.430 68.868 -0.533 0.000 1.136 327 T HN 0.607 nan 8.240 nan 0.000 0.498 328 L N 1.004 121.910 121.223 -0.528 0.000 2.409 328 L HA 0.491 4.831 4.340 -0.000 0.000 0.262 328 L C -0.617 176.054 176.870 -0.333 0.000 0.992 328 L CA -1.255 53.341 54.840 -0.408 0.000 0.817 328 L CB 2.202 44.094 42.059 -0.278 0.000 1.350 328 L HN 0.742 nan 8.230 nan 0.000 0.411 329 D N 1.044 121.283 120.400 -0.268 0.000 2.472 329 D HA -0.071 4.569 4.640 -0.000 0.000 0.248 329 D C -0.162 176.153 176.300 0.025 0.000 1.174 329 D CA 0.700 54.630 54.000 -0.115 0.000 0.883 329 D CB 1.060 41.916 40.800 0.093 0.000 1.149 329 D HN 0.516 nan 8.370 nan 0.000 0.488 330 D N 1.834 122.256 120.400 0.037 0.000 2.440 330 D HA 0.061 4.701 4.640 -0.000 0.000 0.216 330 D C -0.299 176.084 176.300 0.139 0.000 1.150 330 D CA -0.140 53.910 54.000 0.084 0.000 0.832 330 D CB 0.388 41.179 40.800 -0.014 0.000 0.992 330 D HN 0.231 nan 8.370 nan 0.000 0.502 331 T N 1.744 116.417 114.554 0.199 0.000 2.946 331 T HA -0.005 4.345 4.350 -0.000 0.000 0.311 331 T C 0.514 175.288 174.700 0.123 0.000 1.063 331 T CA -0.036 62.179 62.100 0.192 0.000 1.139 331 T CB 0.709 69.696 68.868 0.198 0.000 0.994 331 T HN -0.057 nan 8.240 nan 0.000 0.547 332 K N 4.123 124.562 120.400 0.066 0.000 2.380 332 K HA 0.059 4.379 4.320 -0.000 0.000 0.267 332 K C -1.374 175.125 176.600 -0.168 0.000 0.990 332 K CA -1.776 54.454 56.287 -0.094 0.000 0.946 332 K CB 0.164 32.643 32.500 -0.035 0.000 0.937 332 K HN 0.348 nan 8.250 nan 0.000 0.491 333 P HA -0.124 nan 4.420 nan 0.000 0.220 333 P C 0.350 177.578 177.300 -0.120 0.000 1.148 333 P CA 1.298 64.203 63.100 -0.325 0.000 0.803 333 P CB 0.343 31.726 31.700 -0.528 0.000 0.782 334 E N -0.791 119.357 120.200 -0.086 0.000 2.347 334 E HA 0.096 4.446 4.350 -0.000 0.000 0.196 334 E C 1.601 178.195 176.600 -0.011 0.000 1.008 334 E CA 1.116 57.502 56.400 -0.023 0.000 0.852 334 E CB -0.822 28.885 29.700 0.012 0.000 0.783 334 E HN 0.322 nan 8.360 nan 0.000 0.505 335 G N 0.609 109.405 108.800 -0.007 0.000 2.176 335 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.232 335 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.232 335 G C 0.041 174.940 174.900 -0.001 0.000 0.986 335 G CA 0.224 45.318 45.100 -0.010 0.000 0.643 335 G HN 0.366 nan 8.290 nan 0.000 0.522 336 N N -0.750 117.973 118.700 0.038 0.000 2.530 336 N HA 0.545 5.285 4.740 -0.000 0.000 0.283 336 N C 0.511 176.125 175.510 0.174 0.000 1.238 336 N CA -0.925 52.133 53.050 0.012 0.000 0.971 336 N CB 0.032 38.459 38.487 -0.100 0.000 1.195 336 N HN 0.581 nan 8.380 nan 0.000 0.583 337 Y N -2.818 117.517 120.300 0.059 0.000 3.168 337 Y HA -0.176 4.374 4.550 -0.000 0.000 0.207 337 Y C 0.583 176.627 175.900 0.240 0.000 1.280 337 Y CA 0.274 58.464 58.100 0.150 0.000 1.235 337 Y CB -2.394 36.120 38.460 0.091 0.000 1.370 337 Y HN 0.766 nan 8.280 nan 0.000 0.537 338 A N 0.272 123.256 122.820 0.274 0.000 2.584 338 A HA 0.510 4.830 4.320 -0.000 0.000 0.239 338 A C 0.762 178.600 177.584 0.422 0.000 1.043 338 A CA 0.690 52.898 52.037 0.285 0.000 0.756 338 A CB 0.024 19.121 19.000 0.161 0.000 0.963 338 A HN 1.520 nan 8.150 nan 0.000 0.511 339 A N 2.639 125.713 122.820 0.422 0.000 2.604 339 A HA 0.624 4.944 4.320 -0.000 0.000 0.295 339 A C -0.938 176.660 177.584 0.023 0.000 1.067 339 A CA -0.553 51.568 52.037 0.140 0.000 0.683 339 A CB 0.977 19.746 19.000 -0.385 0.000 1.281 339 A HN 0.718 nan 8.150 nan 0.000 0.407 340 I N 2.671 123.149 120.570 -0.154 0.000 2.362 340 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 340 I C -0.097 175.867 176.117 -0.254 0.000 0.994 340 I CA -0.345 60.718 61.300 -0.395 0.000 1.158 340 I CB 1.566 39.172 38.000 -0.657 0.000 1.315 340 I HN 0.740 nan 8.210 nan 0.000 0.451 341 M N 5.559 125.007 119.600 -0.254 0.000 2.233 341 M HA 0.617 5.097 4.480 -0.000 0.000 0.355 341 M C -0.283 175.860 176.300 -0.262 0.000 1.191 341 M CA -0.085 55.095 55.300 -0.200 0.000 1.101 341 M CB 1.266 33.773 32.600 -0.156 0.000 1.592 341 M HN 0.723 nan 8.290 nan 0.000 0.461 342 G N 4.213 112.905 108.800 -0.180 0.000 2.659 342 G HA2 0.685 4.645 3.960 -0.000 0.000 0.296 342 G HA3 0.685 4.645 3.960 -0.000 0.000 0.296 342 G C -2.054 172.785 174.900 -0.101 0.000 1.369 342 G CA -0.572 44.451 45.100 -0.128 0.000 0.937 342 G HN 0.648 nan 8.290 nan 0.000 0.485 343 F N 0.438 120.535 119.950 0.245 0.000 2.458 343 F HA 0.522 5.049 4.527 0.000 0.000 0.336 343 F C 0.477 176.388 175.800 0.185 0.000 1.114 343 F CA -0.813 57.331 58.000 0.240 0.000 0.987 343 F CB 2.299 41.470 39.000 0.284 0.000 1.130 343 F HN 0.049 nan 8.300 nan 0.000 0.458 344 I N 5.104 125.886 120.570 0.352 0.000 2.304 344 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 344 I C -0.705 175.499 176.117 0.146 0.000 1.018 344 I CA -0.348 61.071 61.300 0.198 0.000 1.260 344 I CB 0.938 39.024 38.000 0.143 0.000 1.390 344 I HN 0.390 nan 8.210 nan 0.000 0.475 345 L N 6.280 127.549 121.223 0.078 0.000 2.334 345 L HA 0.719 5.059 4.340 -0.000 0.000 0.276 345 L C 0.925 177.765 176.870 -0.050 0.000 1.014 345 L CA -0.262 54.586 54.840 0.013 0.000 0.815 345 L CB 1.604 43.680 42.059 0.029 0.000 1.268 345 L HN 0.900 nan 8.230 nan 0.000 0.428 346 A N 2.023 124.806 122.820 -0.062 0.000 5.308 346 A HA -0.369 3.951 4.320 -0.000 0.000 0.321 346 A C 1.703 179.283 177.584 -0.006 0.000 1.849 346 A CA 1.651 53.660 52.037 -0.048 0.000 0.713 346 A CB -1.645 17.324 19.000 -0.052 0.000 1.360 346 A HN 1.093 nan 8.150 nan 0.000 0.384 347 H N 1.094 120.152 119.070 -0.019 0.000 2.456 347 H HA -0.006 4.550 4.556 -0.000 0.000 0.296 347 H C 1.682 177.024 175.328 0.024 0.000 1.079 347 H CA 1.807 57.861 56.048 0.009 0.000 1.322 347 H CB -0.378 29.398 29.762 0.023 0.000 1.388 347 H HN 0.744 nan 8.280 nan 0.000 0.538 348 K N 0.754 120.806 120.400 -0.579 0.000 2.148 348 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 348 K C 2.580 179.116 176.600 -0.106 0.000 1.050 348 K CA 0.918 56.997 56.287 -0.347 0.000 0.942 348 K CB 0.013 32.333 32.500 -0.301 0.000 0.724 348 K HN 0.324 nan 8.250 nan 0.000 0.446 349 A N 1.575 124.362 122.820 -0.056 0.000 1.902 349 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 349 A C 2.098 179.693 177.584 0.019 0.000 1.181 349 A CA 1.410 53.454 52.037 0.013 0.000 0.623 349 A CB -0.316 18.706 19.000 0.035 0.000 0.818 349 A HN 0.122 nan 8.150 nan 0.000 0.443 350 R N -0.290 120.221 120.500 0.018 0.000 2.070 350 R HA -0.084 4.256 4.340 -0.000 0.000 0.233 350 R C 2.335 178.654 176.300 0.032 0.000 1.137 350 R CA 1.901 58.022 56.100 0.035 0.000 0.945 350 R CB -0.331 30.003 30.300 0.056 0.000 0.845 350 R HN 0.633 nan 8.270 nan 0.000 0.430 351 K N 0.427 120.843 120.400 0.027 0.000 2.026 351 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 351 K C 1.595 178.207 176.600 0.018 0.000 1.048 351 K CA 1.408 57.713 56.287 0.030 0.000 0.929 351 K CB -0.036 32.487 32.500 0.038 0.000 0.713 351 K HN 0.132 nan 8.250 nan 0.000 0.439 352 L N 0.189 121.418 121.223 0.009 0.000 2.509 352 L HA 0.110 4.450 4.340 -0.000 0.000 0.222 352 L C 2.244 179.130 176.870 0.026 0.000 1.123 352 L CA 0.278 55.127 54.840 0.014 0.000 0.856 352 L CB -0.132 41.933 42.059 0.010 0.000 0.985 352 L HN 0.208 nan 8.230 nan 0.000 0.456 353 A N 0.577 123.414 122.820 0.028 0.000 2.070 353 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 353 A C 2.364 179.962 177.584 0.023 0.000 1.159 353 A CA 1.135 53.190 52.037 0.030 0.000 0.656 353 A CB -0.386 18.631 19.000 0.028 0.000 0.800 353 A HN 0.359 nan 8.150 nan 0.000 0.453 354 R N -0.617 119.895 120.500 0.020 0.000 2.152 354 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 354 R C 0.286 176.594 176.300 0.014 0.000 1.117 354 R CA 0.366 56.475 56.100 0.016 0.000 0.981 354 R CB -0.509 29.800 30.300 0.015 0.000 0.870 354 R HN 0.452 nan 8.270 nan 0.000 0.451 355 L N 0.723 121.956 121.223 0.016 0.000 2.476 355 L HA 0.082 4.422 4.340 -0.000 0.000 0.255 355 L C 1.069 177.950 176.870 0.019 0.000 1.218 355 L CA -0.406 54.442 54.840 0.013 0.000 0.819 355 L CB 0.331 42.396 42.059 0.009 0.000 1.119 355 L HN 0.141 nan 8.230 nan 0.000 0.485 356 T N -2.808 111.756 114.554 0.016 0.000 2.849 356 T HA 0.102 4.452 4.350 -0.000 0.000 0.284 356 T C 0.906 175.629 174.700 0.039 0.000 1.004 356 T CA -0.666 61.448 62.100 0.023 0.000 1.021 356 T CB 1.242 70.119 68.868 0.016 0.000 1.013 356 T HN 0.661 nan 8.240 nan 0.000 0.527 357 K N 0.405 120.845 120.400 0.066 0.000 2.074 357 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 357 K C 1.896 178.538 176.600 0.071 0.000 1.048 357 K CA 2.033 58.400 56.287 0.132 0.000 0.926 357 K CB -0.220 32.369 32.500 0.148 0.000 0.713 357 K HN 0.706 nan 8.250 nan 0.000 0.444 358 E N 0.667 120.880 120.200 0.022 0.000 2.106 358 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 358 E C 1.834 178.391 176.600 -0.071 0.000 0.984 358 E CA 1.342 57.722 56.400 -0.033 0.000 0.806 358 E CB 0.020 29.712 29.700 -0.013 0.000 0.750 358 E HN 0.395 nan 8.360 nan 0.000 0.458 359 E N 0.194 120.369 120.200 -0.042 0.000 2.077 359 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 359 E C 2.129 178.683 176.600 -0.077 0.000 0.989 359 E CA 0.757 57.128 56.400 -0.049 0.000 0.800 359 E CB -0.005 29.681 29.700 -0.023 0.000 0.746 359 E HN 0.114 nan 8.360 nan 0.000 0.452 360 R N 0.241 120.700 120.500 -0.068 0.000 2.075 360 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 360 R C 2.481 178.633 176.300 -0.246 0.000 1.126 360 R CA 0.835 56.884 56.100 -0.086 0.000 0.963 360 R CB -0.365 29.951 30.300 0.026 0.000 0.858 360 R HN 0.128 nan 8.270 nan 0.000 0.435 361 L N 1.795 122.752 121.223 -0.444 0.000 2.043 361 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 361 L C 2.157 178.813 176.870 -0.356 0.000 1.075 361 L CA 1.913 56.340 54.840 -0.689 0.000 0.752 361 L CB -0.432 41.171 42.059 -0.760 0.000 0.891 361 L HN 0.003 nan 8.230 nan 0.000 0.432 362 K N -0.568 119.697 120.400 -0.225 0.000 2.026 362 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 362 K C 2.178 178.691 176.600 -0.144 0.000 1.048 362 K CA 1.657 57.858 56.287 -0.144 0.000 0.929 362 K CB -0.082 32.362 32.500 -0.093 0.000 0.713 362 K HN 0.331 nan 8.250 nan 0.000 0.439 363 K N 0.179 120.491 120.400 -0.147 0.000 2.097 363 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 363 K C 2.064 178.531 176.600 -0.221 0.000 1.049 363 K CA 1.035 57.238 56.287 -0.140 0.000 0.933 363 K CB -0.072 32.366 32.500 -0.103 0.000 0.717 363 K HN 0.052 nan 8.250 nan 0.000 0.442 364 L N 0.729 121.766 121.223 -0.310 0.000 2.027 364 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 364 L C 2.442 178.897 176.870 -0.691 0.000 1.074 364 L CA 1.487 55.978 54.840 -0.582 0.000 0.745 364 L CB -0.708 41.039 42.059 -0.520 0.000 0.898 364 L HN 0.212 nan 8.230 nan 0.000 0.433 365 C N -0.643 118.466 119.300 -0.319 0.000 2.413 365 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 365 C C 2.659 177.623 174.990 -0.044 0.000 1.248 365 C CA 0.656 59.636 59.018 -0.064 0.000 1.742 365 C CB -0.772 26.978 27.740 0.017 0.000 2.017 365 C HN 0.544 nan 8.230 nan 0.000 0.481 366 E N 0.154 120.297 120.200 -0.095 0.000 2.106 366 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 366 E C 1.998 178.562 176.600 -0.061 0.000 0.984 366 E CA 0.864 57.231 56.400 -0.054 0.000 0.806 366 E CB -0.248 29.419 29.700 -0.054 0.000 0.750 366 E HN 0.512 nan 8.360 nan 0.000 0.458 367 L N 0.385 121.523 121.223 -0.143 0.000 1.994 367 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 367 L C 1.995 178.860 176.870 -0.010 0.000 1.071 367 L CA 1.753 56.517 54.840 -0.126 0.000 0.745 367 L CB -0.639 41.299 42.059 -0.203 0.000 0.892 367 L HN 0.200 nan 8.230 nan 0.000 0.431 368 Y N -0.691 119.596 120.300 -0.022 0.000 2.224 368 Y HA -0.242 4.308 4.550 -0.000 0.000 0.289 368 Y C 2.543 178.457 175.900 0.023 0.000 1.146 368 Y CA 0.344 58.436 58.100 -0.014 0.000 1.182 368 Y CB -0.567 37.922 38.460 0.049 0.000 0.983 368 Y HN 0.384 nan 8.280 nan 0.000 0.524 369 A N 0.562 123.497 122.820 0.191 0.000 1.908 369 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 369 A C 2.158 179.795 177.584 0.087 0.000 1.181 369 A CA 1.970 54.083 52.037 0.127 0.000 0.627 369 A CB -0.615 18.431 19.000 0.077 0.000 0.818 369 A HN 0.378 nan 8.150 nan 0.000 0.445 370 K N -0.575 119.852 120.400 0.046 0.000 2.002 370 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 370 K C 1.930 178.529 176.600 -0.000 0.000 1.048 370 K CA 1.699 58.000 56.287 0.023 0.000 0.930 370 K CB -0.325 32.169 32.500 -0.010 0.000 0.714 370 K HN 0.279 nan 8.250 nan 0.000 0.438 371 V N 1.515 121.366 119.914 -0.105 0.000 2.343 371 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 371 V C 2.079 178.134 176.094 -0.064 0.000 1.051 371 V CA 1.534 63.723 62.300 -0.185 0.000 1.036 371 V CB -0.302 31.362 31.823 -0.264 0.000 0.654 371 V HN 0.303 nan 8.190 nan 0.000 0.451 372 L N 0.280 121.506 121.223 0.005 0.000 2.558 372 L HA 0.303 4.643 4.340 -0.000 0.000 0.225 372 L C 1.673 178.695 176.870 0.254 0.000 1.128 372 L CA 0.721 55.615 54.840 0.089 0.000 0.868 372 L CB -0.585 41.599 42.059 0.208 0.000 1.006 372 L HN 0.535 nan 8.230 nan 0.000 0.454 373 G N 0.574 109.474 108.800 0.167 0.000 2.305 373 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.287 373 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.287 373 G C 0.015 175.004 174.900 0.148 0.000 1.036 373 G CA 0.478 45.671 45.100 0.154 0.000 0.887 373 G HN 0.336 nan 8.290 nan 0.000 0.505 374 S N -0.685 115.103 115.700 0.146 0.000 2.707 374 S HA 0.470 4.940 4.470 -0.000 0.000 0.303 374 S C 1.289 175.880 174.600 -0.016 0.000 1.132 374 S CA -0.738 57.515 58.200 0.088 0.000 1.046 374 S CB 1.654 64.982 63.200 0.214 0.000 1.004 374 S HN 0.254 nan 8.310 nan 0.000 0.483 375 L N 2.150 123.341 121.223 -0.054 0.000 2.187 375 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 375 L C 2.239 179.010 176.870 -0.165 0.000 1.100 375 L CA 1.274 56.070 54.840 -0.074 0.000 0.765 375 L CB -0.339 41.688 42.059 -0.053 0.000 0.904 375 L HN 0.700 nan 8.230 nan 0.000 0.437 376 E N 0.265 120.242 120.200 -0.371 0.000 2.209 376 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 376 E C 2.234 178.477 176.600 -0.594 0.000 0.993 376 E CA 0.974 57.000 56.400 -0.623 0.000 0.819 376 E CB -0.144 28.857 29.700 -1.165 0.000 0.745 376 E HN 0.531 nan 8.360 nan 0.000 0.477 377 A N 0.837 123.392 122.820 -0.440 0.000 2.125 377 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 377 A C 1.910 179.686 177.584 0.319 0.000 1.156 377 A CA 0.774 52.859 52.037 0.080 0.000 0.671 377 A CB -0.336 18.841 19.000 0.295 0.000 0.794 377 A HN 0.166 nan 8.150 nan 0.000 0.459 378 L N -1.182 120.121 121.223 0.133 0.000 2.612 378 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 378 L C 0.470 177.418 176.870 0.129 0.000 1.140 378 L CA 0.260 55.170 54.840 0.116 0.000 0.896 378 L CB -0.029 42.056 42.059 0.043 0.000 1.065 378 L HN 0.233 nan 8.230 nan 0.000 0.447 379 E N 0.871 121.200 120.200 0.215 0.000 3.588 379 E HA 0.184 4.534 4.350 -0.000 0.000 0.213 379 E C -2.253 174.493 176.600 0.243 0.000 1.168 379 E CA -1.723 54.785 56.400 0.180 0.000 1.254 379 E CB 0.666 30.435 29.700 0.115 0.000 1.302 379 E HN 0.058 nan 8.360 nan 0.000 0.429 380 P HA -0.039 nan 4.420 nan 0.000 0.271 380 P C 0.807 178.119 177.300 0.021 0.000 1.218 380 P CA -0.027 63.001 63.100 -0.120 0.000 0.780 380 P CB 1.662 33.265 31.700 -0.161 0.000 0.901 381 V N -1.442 118.508 119.914 0.060 0.000 3.471 381 V HA 0.280 4.400 4.120 -0.000 0.000 0.258 381 V C 0.513 176.729 176.094 0.204 0.000 1.192 381 V CA 0.877 63.254 62.300 0.128 0.000 1.116 381 V CB -1.186 30.718 31.823 0.135 0.000 0.792 381 V HN 0.668 nan 8.190 nan 0.000 0.459 382 H N -1.226 117.910 119.070 0.110 0.000 3.037 382 H HA 0.620 5.176 4.556 -0.000 0.000 0.336 382 H C -2.278 173.260 175.328 0.350 0.000 1.323 382 H CA -0.760 55.376 56.048 0.146 0.000 1.159 382 H CB 1.955 31.703 29.762 -0.024 0.000 1.882 382 H HN 0.154 nan 8.280 nan 0.000 0.535 383 Y N 1.704 121.742 120.300 -0.438 0.000 2.479 383 Y HA 0.500 5.050 4.550 -0.000 0.000 0.338 383 Y C -1.622 174.153 175.900 -0.209 0.000 1.055 383 Y CA -0.653 57.363 58.100 -0.140 0.000 1.023 383 Y CB 1.713 40.108 38.460 -0.108 0.000 1.287 383 Y HN 0.607 nan 8.280 nan 0.000 0.447 384 E N 4.451 124.420 120.200 -0.386 0.000 2.288 384 E HA 0.407 4.757 4.350 -0.000 0.000 0.268 384 E C -1.417 174.822 176.600 -0.601 0.000 0.885 384 E CA -0.781 55.399 56.400 -0.366 0.000 0.767 384 E CB 2.697 32.416 29.700 0.032 0.000 1.220 384 E HN 0.782 nan 8.360 nan 0.000 0.427 385 E N 0.403 120.353 120.200 -0.416 0.000 2.412 385 E HA 0.686 5.036 4.350 -0.000 0.000 0.279 385 E C -1.239 175.319 176.600 -0.069 0.000 0.984 385 E CA -1.087 55.167 56.400 -0.244 0.000 0.788 385 E CB 2.430 31.961 29.700 -0.282 0.000 1.277 385 E HN 0.156 nan 8.360 nan 0.000 0.455 386 K N 1.394 121.803 120.400 0.015 0.000 2.581 386 K HA 0.290 4.610 4.320 -0.000 0.000 0.249 386 K C -1.706 174.861 176.600 -0.056 0.000 0.966 386 K CA -0.621 55.618 56.287 -0.079 0.000 0.811 386 K CB 1.474 33.905 32.500 -0.115 0.000 1.223 386 K HN 0.505 nan 8.250 nan 0.000 0.438 387 N N 4.272 122.900 118.700 -0.120 0.000 2.437 387 N HA 0.113 4.853 4.740 -0.000 0.000 0.243 387 N C -0.298 175.141 175.510 -0.118 0.000 1.041 387 N CA -0.363 52.672 53.050 -0.025 0.000 0.940 387 N CB 0.324 38.809 38.487 -0.005 0.000 1.133 387 N HN 0.685 nan 8.380 nan 0.000 0.506 388 W N 2.171 123.508 121.300 0.062 0.000 2.678 388 W HA 0.056 4.716 4.660 -0.000 0.000 0.256 388 W C 1.978 178.511 176.519 0.024 0.000 1.280 388 W CA -0.065 57.310 57.345 0.051 0.000 1.345 388 W CB -0.173 29.330 29.460 0.072 0.000 1.118 388 W HN 0.588 nan 8.180 nan 0.000 0.629 389 C N 0.493 119.896 119.300 0.172 0.000 2.437 389 C HA -0.154 4.306 4.460 -0.000 0.000 0.283 389 C C 2.287 177.301 174.990 0.040 0.000 1.424 389 C CA 1.378 60.453 59.018 0.095 0.000 1.782 389 C CB -1.553 26.227 27.740 0.067 0.000 1.833 389 C HN 0.504 nan 8.230 nan 0.000 0.532 390 E N 0.815 121.017 120.200 0.003 0.000 2.478 390 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 390 E C -0.026 176.541 176.600 -0.054 0.000 1.045 390 E CA 0.278 56.656 56.400 -0.037 0.000 0.868 390 E CB -0.197 29.468 29.700 -0.059 0.000 0.885 390 E HN 0.496 nan 8.360 nan 0.000 0.505 391 E N 2.262 122.445 120.200 -0.029 0.000 2.166 391 E HA -0.035 4.315 4.350 -0.000 0.000 0.279 391 E C 0.508 177.084 176.600 -0.041 0.000 1.095 391 E CA 0.064 56.450 56.400 -0.023 0.000 0.888 391 E CB 1.456 31.194 29.700 0.065 0.000 1.041 391 E HN 0.359 nan 8.360 nan 0.000 0.414 392 Q N 3.024 122.736 119.800 -0.147 0.000 2.112 392 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 392 Q C 0.389 176.148 176.000 -0.401 0.000 0.987 392 Q CA 1.699 57.299 55.803 -0.339 0.000 0.858 392 Q CB 0.055 28.456 28.738 -0.561 0.000 0.905 392 Q HN 0.607 nan 8.270 nan 0.000 0.420 393 Y N -0.898 119.428 120.300 0.043 0.000 2.532 393 Y HA 0.258 4.808 4.550 -0.000 0.000 0.283 393 Y C 1.441 177.399 175.900 0.097 0.000 1.181 393 Y CA -0.319 57.817 58.100 0.059 0.000 1.256 393 Y CB 0.843 39.330 38.460 0.046 0.000 1.112 393 Y HN 0.072 nan 8.280 nan 0.000 0.521 394 S N -1.605 114.212 115.700 0.196 0.000 2.931 394 S HA 0.289 4.759 4.470 -0.000 0.000 0.251 394 S C 1.819 176.499 174.600 0.134 0.000 1.078 394 S CA 0.564 58.891 58.200 0.212 0.000 0.835 394 S CB 0.540 63.953 63.200 0.355 0.000 0.798 394 S HN 0.529 nan 8.310 nan 0.000 0.495 395 G N 1.016 109.875 108.800 0.099 0.000 2.199 395 G HA2 0.072 4.032 3.960 -0.000 0.000 0.254 395 G HA3 0.072 4.032 3.960 -0.000 0.000 0.254 395 G C 0.486 175.426 174.900 0.066 0.000 0.982 395 G CA 0.105 45.233 45.100 0.047 0.000 0.632 395 G HN 1.371 nan 8.290 nan 0.000 0.529 396 G N -2.402 106.477 108.800 0.131 0.000 2.356 396 G HA2 0.528 4.488 3.960 -0.000 0.000 0.288 396 G HA3 0.528 4.488 3.960 -0.000 0.000 0.288 396 G C -1.010 173.965 174.900 0.124 0.000 1.302 396 G CA 0.313 45.492 45.100 0.132 0.000 0.887 396 G HN 1.476 nan 8.290 nan 0.000 0.521 397 C N -1.654 117.666 119.300 0.033 0.000 3.311 397 C HA 0.577 5.037 4.460 -0.000 0.000 0.325 397 C C 0.803 175.623 174.990 -0.284 0.000 1.352 397 C CA -0.659 58.303 59.018 -0.093 0.000 1.308 397 C CB 0.732 28.327 27.740 -0.242 0.000 1.619 397 C HN 0.746 nan 8.230 nan 0.000 0.469 398 Y N 0.679 120.905 120.300 -0.122 0.000 2.314 398 Y HA 0.217 4.767 4.550 -0.000 0.000 0.293 398 Y C 1.568 177.432 175.900 -0.061 0.000 1.129 398 Y CA 1.290 59.291 58.100 -0.166 0.000 1.201 398 Y CB -0.398 37.942 38.460 -0.200 0.000 0.999 398 Y HN 0.695 nan 8.280 nan 0.000 0.541 399 T N -2.045 112.589 114.554 0.132 0.000 2.665 399 T HA 0.327 4.677 4.350 -0.000 0.000 0.303 399 T C -0.849 173.953 174.700 0.169 0.000 1.334 399 T CA -0.714 61.505 62.100 0.198 0.000 1.011 399 T CB 0.997 70.074 68.868 0.348 0.000 1.573 399 T HN -0.154 nan 8.240 nan 0.000 0.492 400 T N 2.615 117.287 114.554 0.196 0.000 2.832 400 T HA 0.506 4.856 4.350 -0.000 0.000 0.296 400 T C -0.839 173.887 174.700 0.043 0.000 0.968 400 T CA 0.030 62.151 62.100 0.036 0.000 1.107 400 T CB -0.327 68.563 68.868 0.036 0.000 0.916 400 T HN 0.470 nan 8.240 nan 0.000 0.517 401 Y N 0.929 121.021 120.300 -0.347 0.000 2.528 401 Y HA 0.799 5.349 4.550 0.000 0.000 0.335 401 Y C -1.299 174.045 175.900 -0.927 0.000 1.093 401 Y CA -2.261 55.272 58.100 -0.946 0.000 1.134 401 Y CB 0.782 38.821 38.460 -0.702 0.000 1.253 401 Y HN 0.403 nan 8.280 nan 0.000 0.478 402 F N 3.304 122.496 119.950 -1.263 0.000 2.402 402 F HA 0.565 5.092 4.527 -0.000 0.000 0.355 402 F C -2.301 173.405 175.800 -0.156 0.000 1.123 402 F CA -2.756 54.882 58.000 -0.604 0.000 1.021 402 F CB 1.482 40.176 39.000 -0.510 0.000 1.160 402 F HN 0.359 nan 8.300 nan 0.000 0.451 403 P HA 0.106 nan 4.420 nan 0.000 0.273 403 P C -2.568 174.831 177.300 0.166 0.000 1.250 403 P CA -1.221 61.962 63.100 0.139 0.000 0.793 403 P CB -0.227 31.508 31.700 0.059 0.000 1.011 404 P HA -0.039 nan 4.420 nan 0.000 0.262 404 P C 0.915 178.307 177.300 0.153 0.000 1.182 404 P CA 1.348 64.548 63.100 0.167 0.000 0.761 404 P CB -0.177 31.602 31.700 0.132 0.000 0.795 405 G N 2.990 111.897 108.800 0.178 0.000 2.195 405 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 405 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 405 G C 0.758 175.778 174.900 0.200 0.000 0.984 405 G CA 0.031 45.228 45.100 0.161 0.000 0.633 405 G HN 0.439 nan 8.290 nan 0.000 0.525 406 I N 0.007 120.728 120.570 0.252 0.000 2.494 406 I HA 0.194 4.364 4.170 -0.000 0.000 0.250 406 I C 2.571 178.939 176.117 0.418 0.000 1.112 406 I CA 1.137 62.641 61.300 0.341 0.000 1.438 406 I CB -1.072 37.047 38.000 0.197 0.000 1.111 406 I HN 0.262 nan 8.210 nan 0.000 0.431 407 L N 1.227 122.677 121.223 0.380 0.000 2.083 407 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 407 L C 2.592 179.545 176.870 0.139 0.000 1.083 407 L CA 2.361 57.303 54.840 0.169 0.000 0.752 407 L CB -0.880 41.169 42.059 -0.017 0.000 0.899 407 L HN 0.396 nan 8.230 nan 0.000 0.433 408 T N -4.244 110.401 114.554 0.151 0.000 2.904 408 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 408 T C 1.796 176.464 174.700 -0.053 0.000 1.059 408 T CA 0.864 63.023 62.100 0.098 0.000 1.137 408 T CB -0.307 68.624 68.868 0.105 0.000 0.879 408 T HN 0.340 nan 8.240 nan 0.000 0.467 409 Q N -0.158 119.611 119.800 -0.053 0.000 2.212 409 Q HA 0.116 4.456 4.340 -0.000 0.000 0.199 409 Q C 1.066 176.751 176.000 -0.523 0.000 0.950 409 Q CA 1.151 56.779 55.803 -0.292 0.000 0.863 409 Q CB 0.020 28.577 28.738 -0.302 0.000 0.944 409 Q HN 0.765 nan 8.270 nan 0.000 0.465 410 Y N -1.813 118.421 120.300 -0.109 0.000 2.448 410 Y HA 0.259 4.809 4.550 -0.000 0.000 0.257 410 Y C 2.041 177.825 175.900 -0.194 0.000 1.089 410 Y CA 0.100 58.121 58.100 -0.131 0.000 1.245 410 Y CB 0.138 38.562 38.460 -0.061 0.000 1.282 410 Y HN 0.080 nan 8.280 nan 0.000 0.529 411 G N 1.723 110.454 108.800 -0.116 0.000 2.469 411 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 411 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 411 G C 1.751 176.215 174.900 -0.727 0.000 1.136 411 G CA 1.232 46.174 45.100 -0.264 0.000 0.759 411 G HN 0.406 nan 8.290 nan 0.000 0.562 412 R N 0.386 120.137 120.500 -1.249 0.000 2.237 412 R HA 0.046 4.386 4.340 -0.000 0.000 0.219 412 R C 1.771 177.832 176.300 -0.399 0.000 1.080 412 R CA 1.248 56.683 56.100 -1.109 0.000 0.995 412 R CB -0.553 29.114 30.300 -1.054 0.000 0.875 412 R HN 0.284 nan 8.270 nan 0.000 0.462 413 V N 1.429 121.168 119.914 -0.291 0.000 2.871 413 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 413 V C 2.465 178.463 176.094 -0.160 0.000 1.082 413 V CA 0.758 62.953 62.300 -0.175 0.000 1.105 413 V CB -0.408 31.339 31.823 -0.127 0.000 0.713 413 V HN 0.254 nan 8.190 nan 0.000 0.473 414 L N 0.978 122.144 121.223 -0.096 0.000 2.013 414 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 414 L C 2.437 179.265 176.870 -0.070 0.000 1.073 414 L CA 2.204 57.014 54.840 -0.050 0.000 0.753 414 L CB -0.132 41.991 42.059 0.107 0.000 0.890 414 L HN 0.470 nan 8.230 nan 0.000 0.432 415 R N -0.988 119.554 120.500 0.070 0.000 2.577 415 R HA 0.146 4.486 4.340 -0.000 0.000 0.344 415 R C 0.474 176.913 176.300 0.232 0.000 1.037 415 R CA -0.256 55.968 56.100 0.205 0.000 1.102 415 R CB -0.058 30.423 30.300 0.302 0.000 1.313 415 R HN 0.201 nan 8.270 nan 0.000 0.561 416 Q N 2.728 122.591 119.800 0.104 0.000 2.286 416 Q HA 0.204 4.544 4.340 -0.000 0.000 0.267 416 Q C -2.097 174.007 176.000 0.173 0.000 1.028 416 Q CA -2.106 53.757 55.803 0.099 0.000 0.901 416 Q CB 0.854 29.595 28.738 0.006 0.000 1.183 416 Q HN 0.035 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.267 417 P C -1.262 176.037 177.300 -0.002 0.000 1.200 417 P CA -0.035 63.010 63.100 -0.092 0.000 0.772 417 P CB 0.657 32.036 31.700 -0.534 0.000 0.855 418 V N 3.362 123.291 119.914 0.025 0.000 2.275 418 V HA 0.153 4.273 4.120 -0.000 0.000 0.272 418 V C 0.687 176.749 176.094 -0.052 0.000 1.028 418 V CA 0.087 62.397 62.300 0.016 0.000 0.810 418 V CB 0.059 31.931 31.823 0.081 0.000 1.043 418 V HN 0.779 nan 8.190 nan 0.000 0.453 419 D N 4.102 124.473 120.400 -0.048 0.000 4.372 419 D HA -0.306 4.334 4.640 -0.000 0.000 0.169 419 D C 1.337 177.627 176.300 -0.017 0.000 0.680 419 D CA 2.412 56.402 54.000 -0.017 0.000 1.152 419 D CB -0.265 40.538 40.800 0.004 0.000 0.585 419 D HN 0.566 nan 8.370 nan 0.000 0.493 420 R N -0.139 120.380 120.500 0.032 0.000 2.468 420 R HA 0.444 4.784 4.340 -0.000 0.000 0.280 420 R C -0.193 176.215 176.300 0.181 0.000 0.963 420 R CA -0.150 56.069 56.100 0.198 0.000 1.083 420 R CB 0.415 30.780 30.300 0.107 0.000 1.200 420 R HN 0.294 nan 8.270 nan 0.000 0.541 421 I N 1.206 121.731 120.570 -0.074 0.000 2.315 421 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 421 I C -0.547 175.217 176.117 -0.590 0.000 1.006 421 I CA -0.621 60.545 61.300 -0.224 0.000 1.265 421 I CB 0.608 38.450 38.000 -0.263 0.000 1.387 421 I HN -0.089 nan 8.210 nan 0.000 0.475 422 Y N 5.338 125.385 120.300 -0.422 0.000 2.487 422 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 422 Y C -0.517 175.051 175.900 -0.554 0.000 1.076 422 Y CA -0.669 57.224 58.100 -0.345 0.000 1.115 422 Y CB 1.560 39.940 38.460 -0.133 0.000 1.235 422 Y HN 0.286 nan 8.280 nan 0.000 0.468 423 F N 1.259 121.315 119.950 0.176 0.000 2.449 423 F HA 0.728 5.255 4.527 -0.000 0.000 0.342 423 F C 0.350 176.227 175.800 0.128 0.000 1.127 423 F CA -0.581 57.498 58.000 0.131 0.000 0.975 423 F CB 1.220 40.279 39.000 0.100 0.000 1.146 423 F HN 0.590 nan 8.300 nan 0.000 0.444 424 A N 2.138 125.109 122.820 0.252 0.000 3.521 424 A HA 0.972 5.292 4.320 -0.000 0.000 0.181 424 A C 0.281 177.993 177.584 0.214 0.000 1.386 424 A CA -0.488 51.661 52.037 0.187 0.000 0.873 424 A CB 0.222 19.289 19.000 0.111 0.000 1.634 424 A HN 1.541 nan 8.150 nan 0.000 0.551 425 G N -2.376 106.529 108.800 0.175 0.000 2.721 425 G HA2 0.094 4.054 3.960 -0.000 0.000 0.686 425 G HA3 0.094 4.054 3.960 -0.000 0.000 0.686 425 G C 0.451 175.479 174.900 0.214 0.000 1.236 425 G CA 0.620 45.830 45.100 0.185 0.000 0.786 425 G HN 1.587 nan 8.290 nan 0.000 0.616 426 T N 0.144 114.826 114.554 0.214 0.000 2.849 426 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 426 T C 2.105 177.002 174.700 0.329 0.000 1.066 426 T CA 2.672 64.924 62.100 0.254 0.000 1.130 426 T CB -0.178 68.835 68.868 0.241 0.000 0.864 426 T HN 0.621 nan 8.240 nan 0.000 0.481 427 E N 0.459 120.857 120.200 0.331 0.000 2.265 427 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 427 E C 2.242 179.089 176.600 0.413 0.000 0.996 427 E CA 1.536 58.179 56.400 0.407 0.000 0.832 427 E CB -0.173 29.730 29.700 0.339 0.000 0.756 427 E HN 0.708 nan 8.360 nan 0.000 0.491 428 T N -2.527 112.236 114.554 0.348 0.000 3.107 428 T HA 0.433 4.783 4.350 -0.000 0.000 0.249 428 T C 0.817 175.749 174.700 0.387 0.000 1.096 428 T CA 0.026 62.333 62.100 0.345 0.000 1.012 428 T CB 0.189 69.238 68.868 0.301 0.000 0.977 428 T HN 0.097 nan 8.240 nan 0.000 0.527 429 A N 1.764 124.817 122.820 0.388 0.000 2.346 429 A HA 0.539 4.859 4.320 -0.000 0.000 0.252 429 A C 1.529 179.382 177.584 0.449 0.000 1.089 429 A CA 0.118 52.389 52.037 0.390 0.000 0.797 429 A CB 0.346 19.535 19.000 0.316 0.000 1.047 429 A HN 0.497 nan 8.150 nan 0.000 0.494 430 T N -2.531 112.268 114.554 0.409 0.000 3.010 430 T HA 0.232 4.582 4.350 -0.000 0.000 0.257 430 T C 0.278 175.090 174.700 0.187 0.000 1.020 430 T CA 0.694 62.991 62.100 0.329 0.000 0.938 430 T CB -0.353 68.651 68.868 0.226 0.000 1.049 430 T HN 0.745 nan 8.240 nan 0.000 0.522 431 H N -1.104 118.000 119.070 0.056 0.000 2.840 431 H HA 0.279 4.835 4.556 -0.000 0.000 0.340 431 H C -0.990 174.360 175.328 0.037 0.000 1.004 431 H CA -1.144 54.862 56.048 -0.069 0.000 1.288 431 H CB 0.907 30.686 29.762 0.028 0.000 1.607 431 H HN 0.305 nan 8.280 nan 0.000 0.522 432 W N 2.224 123.287 121.300 -0.395 0.000 5.121 432 W HA -0.253 4.407 4.660 -0.000 0.000 0.372 432 W C 0.503 176.953 176.519 -0.114 0.000 1.394 432 W CA 0.943 58.005 57.345 -0.470 0.000 0.885 432 W CB -1.638 27.461 29.460 -0.601 0.000 2.520 432 W HN 0.394 nan 8.180 nan 0.000 1.455 433 S N 0.484 116.221 115.700 0.063 0.000 2.558 433 S HA 0.368 4.838 4.470 -0.000 0.000 0.293 433 S C 1.398 176.209 174.600 0.351 0.000 1.292 433 S CA 1.773 60.123 58.200 0.249 0.000 1.063 433 S CB 0.740 64.154 63.200 0.358 0.000 0.831 433 S HN 1.410 nan 8.310 nan 0.000 0.499 434 G N 2.960 112.043 108.800 0.471 0.000 2.213 434 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.226 434 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.226 434 G C -0.252 174.772 174.900 0.208 0.000 0.992 434 G CA 0.225 45.610 45.100 0.475 0.000 0.632 434 G HN 0.689 nan 8.290 nan 0.000 0.511 435 Y N -0.523 119.890 120.300 0.189 0.000 2.598 435 Y HA 0.697 5.247 4.550 -0.000 0.000 0.340 435 Y C 1.897 177.838 175.900 0.069 0.000 1.038 435 Y CA -0.788 57.374 58.100 0.103 0.000 1.100 435 Y CB 0.996 39.507 38.460 0.084 0.000 1.281 435 Y HN -0.028 nan 8.280 nan 0.000 0.488 436 M N -0.122 119.582 119.600 0.174 0.000 2.144 436 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 436 M C 1.827 178.188 176.300 0.102 0.000 1.067 436 M CA 2.121 57.491 55.300 0.116 0.000 1.095 436 M CB -0.255 32.405 32.600 0.100 0.000 1.365 436 M HN 0.794 nan 8.290 nan 0.000 0.406 437 E N 0.714 120.953 120.200 0.065 0.000 2.058 437 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 437 E C 1.981 178.642 176.600 0.101 0.000 0.997 437 E CA 2.067 58.471 56.400 0.007 0.000 0.801 437 E CB -0.691 28.885 29.700 -0.207 0.000 0.746 437 E HN 0.431 nan 8.360 nan 0.000 0.450 438 G N 0.153 109.062 108.800 0.183 0.000 2.442 438 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 438 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 438 G C 1.724 176.737 174.900 0.190 0.000 1.141 438 G CA 1.204 46.435 45.100 0.218 0.000 0.763 438 G HN 0.483 nan 8.290 nan 0.000 0.554 439 A N 0.193 123.113 122.820 0.167 0.000 1.908 439 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 439 A C 2.622 180.267 177.584 0.101 0.000 1.181 439 A CA 2.037 54.154 52.037 0.134 0.000 0.627 439 A CB -0.642 18.426 19.000 0.113 0.000 0.818 439 A HN 0.288 nan 8.150 nan 0.000 0.445 440 V N -0.002 119.964 119.914 0.087 0.000 2.307 440 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 440 V C 2.529 178.662 176.094 0.066 0.000 1.045 440 V CA 2.154 64.491 62.300 0.061 0.000 1.024 440 V CB -0.816 31.036 31.823 0.048 0.000 0.651 440 V HN 0.745 nan 8.190 nan 0.000 0.449 441 E N 0.554 120.812 120.200 0.096 0.000 2.070 441 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 441 E C 2.219 178.860 176.600 0.068 0.000 1.004 441 E CA 1.812 58.277 56.400 0.108 0.000 0.805 441 E CB -0.187 29.624 29.700 0.185 0.000 0.744 441 E HN 0.547 nan 8.360 nan 0.000 0.451 442 A N 0.641 123.522 122.820 0.102 0.000 1.898 442 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 442 A C 2.420 180.024 177.584 0.035 0.000 1.181 442 A CA 1.658 53.745 52.037 0.085 0.000 0.620 442 A CB -1.018 18.078 19.000 0.160 0.000 0.819 442 A HN 0.451 nan 8.150 nan 0.000 0.442 443 G N -0.324 108.502 108.800 0.043 0.000 2.421 443 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 443 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 443 G C 1.430 176.316 174.900 -0.022 0.000 1.171 443 G CA 0.957 46.069 45.100 0.020 0.000 0.775 443 G HN 0.648 nan 8.290 nan 0.000 0.543 444 E N -0.175 120.008 120.200 -0.028 0.000 2.107 444 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 444 E C 2.515 179.043 176.600 -0.119 0.000 0.982 444 E CA 0.286 56.653 56.400 -0.055 0.000 0.809 444 E CB -0.099 29.584 29.700 -0.029 0.000 0.756 444 E HN 0.315 nan 8.360 nan 0.000 0.459 445 R N 1.206 121.602 120.500 -0.174 0.000 2.075 445 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 445 R C 2.201 178.330 176.300 -0.285 0.000 1.126 445 R CA 1.305 57.194 56.100 -0.353 0.000 0.963 445 R CB -0.220 29.712 30.300 -0.614 0.000 0.858 445 R HN 0.125 nan 8.270 nan 0.000 0.435 446 A N 1.051 123.775 122.820 -0.161 0.000 1.902 446 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 446 A C 2.416 179.894 177.584 -0.175 0.000 1.181 446 A CA 1.797 53.777 52.037 -0.095 0.000 0.623 446 A CB -0.755 18.247 19.000 0.004 0.000 0.818 446 A HN 0.541 nan 8.150 nan 0.000 0.443 447 A N -0.277 122.455 122.820 -0.147 0.000 1.908 447 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 447 A C 2.256 179.719 177.584 -0.202 0.000 1.181 447 A CA 1.613 53.553 52.037 -0.160 0.000 0.627 447 A CB -0.480 18.461 19.000 -0.098 0.000 0.818 447 A HN 0.547 nan 8.150 nan 0.000 0.445 448 R N -0.526 119.864 120.500 -0.184 0.000 2.115 448 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 448 R C 2.069 178.255 176.300 -0.191 0.000 1.111 448 R CA 1.293 57.292 56.100 -0.168 0.000 0.976 448 R CB -0.267 29.940 30.300 -0.154 0.000 0.870 448 R HN 0.684 nan 8.270 nan 0.000 0.445 449 E N 0.598 120.648 120.200 -0.250 0.000 2.085 449 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 449 E C 1.965 178.268 176.600 -0.496 0.000 0.994 449 E CA 1.181 57.425 56.400 -0.259 0.000 0.801 449 E CB -0.099 29.486 29.700 -0.191 0.000 0.743 449 E HN 0.335 nan 8.360 nan 0.000 0.453 450 I N 0.906 121.044 120.570 -0.720 0.000 2.252 450 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 450 I C 2.304 178.103 176.117 -0.529 0.000 1.102 450 I CA 0.843 61.619 61.300 -0.873 0.000 1.385 450 I CB -0.141 37.386 38.000 -0.789 0.000 1.064 450 I HN 0.110 nan 8.210 nan 0.000 0.414 451 L N -0.112 120.927 121.223 -0.307 0.000 2.079 451 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 451 L C 2.707 179.509 176.870 -0.114 0.000 1.081 451 L CA 1.547 56.283 54.840 -0.173 0.000 0.752 451 L CB -0.883 41.111 42.059 -0.107 0.000 0.896 451 L HN 0.363 nan 8.230 nan 0.000 0.433 452 H N 0.158 119.119 119.070 -0.182 0.000 2.326 452 H HA -0.096 4.460 4.556 -0.000 0.000 0.301 452 H C 2.142 177.408 175.328 -0.103 0.000 1.081 452 H CA 1.466 57.448 56.048 -0.111 0.000 1.334 452 H CB 0.009 29.725 29.762 -0.076 0.000 1.385 452 H HN 0.235 nan 8.280 nan 0.000 0.504 453 A N 0.489 123.129 122.820 -0.299 0.000 1.978 453 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 453 A C 2.276 179.751 177.584 -0.183 0.000 1.170 453 A CA 1.892 53.765 52.037 -0.273 0.000 0.636 453 A CB -0.682 18.148 19.000 -0.284 0.000 0.810 453 A HN 0.577 nan 8.150 nan 0.000 0.448 454 M N -1.474 118.009 119.600 -0.194 0.000 2.561 454 M HA 0.170 4.650 4.480 -0.000 0.000 0.238 454 M C 1.326 177.586 176.300 -0.068 0.000 1.131 454 M CA 0.748 56.011 55.300 -0.063 0.000 1.046 454 M CB 0.203 32.777 32.600 -0.043 0.000 1.532 454 M HN 0.614 nan 8.290 nan 0.000 0.497 455 G N 1.081 109.804 108.800 -0.128 0.000 2.143 455 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 455 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 455 G C 0.865 175.742 174.900 -0.038 0.000 0.991 455 G CA 0.478 45.523 45.100 -0.092 0.000 0.689 455 G HN 0.470 nan 8.290 nan 0.000 0.522 456 K N -0.496 119.882 120.400 -0.037 0.000 2.243 456 K HA 0.300 4.620 4.320 -0.000 0.000 0.201 456 K C 1.350 177.954 176.600 0.006 0.000 1.051 456 K CA 1.298 57.575 56.287 -0.017 0.000 0.970 456 K CB 0.253 32.735 32.500 -0.030 0.000 0.755 456 K HN 0.810 nan 8.250 nan 0.000 0.465 457 I N -1.814 118.777 120.570 0.035 0.000 2.865 457 I HA 0.450 4.620 4.170 -0.000 0.000 0.302 457 I C -2.969 173.243 176.117 0.157 0.000 1.140 457 I CA -3.012 58.327 61.300 0.064 0.000 1.021 457 I CB 2.321 40.341 38.000 0.034 0.000 1.233 457 I HN -0.255 nan 8.210 nan 0.000 0.427 458 P HA 0.133 nan 4.420 nan 0.000 0.274 458 P C 0.197 177.492 177.300 -0.009 0.000 1.237 458 P CA -0.055 63.117 63.100 0.121 0.000 0.793 458 P CB 1.200 32.935 31.700 0.058 0.000 0.977 459 E N 0.391 120.475 120.200 -0.194 0.000 2.130 459 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 459 E C 1.099 177.614 176.600 -0.141 0.000 0.998 459 E CA 1.445 57.578 56.400 -0.445 0.000 0.806 459 E CB -0.188 29.319 29.700 -0.321 0.000 0.738 459 E HN 0.398 nan 8.360 nan 0.000 0.459 460 D N 0.498 120.870 120.400 -0.047 0.000 2.218 460 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 460 D C 1.076 177.393 176.300 0.029 0.000 1.007 460 D CA 1.336 55.340 54.000 0.007 0.000 0.879 460 D CB 0.006 40.814 40.800 0.013 0.000 0.918 460 D HN 0.304 nan 8.370 nan 0.000 0.449 461 E N -1.189 119.015 120.200 0.006 0.000 2.463 461 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 461 E C 1.848 178.445 176.600 -0.005 0.000 1.041 461 E CA -0.307 56.101 56.400 0.015 0.000 0.879 461 E CB 0.467 30.171 29.700 0.008 0.000 0.997 461 E HN 0.340 nan 8.360 nan 0.000 0.478 462 I N -0.062 120.496 120.570 -0.021 0.000 2.202 462 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 462 I C 0.440 176.439 176.117 -0.197 0.000 1.091 462 I CA 1.094 62.321 61.300 -0.122 0.000 1.368 462 I CB 0.108 38.030 38.000 -0.131 0.000 1.058 462 I HN 0.116 nan 8.210 nan 0.000 0.410 463 W N 1.669 122.968 121.300 -0.002 0.000 2.316 463 W HA 0.501 5.161 4.660 -0.000 0.000 0.308 463 W C -0.143 176.382 176.519 0.011 0.000 1.106 463 W CA -0.267 57.087 57.345 0.016 0.000 1.262 463 W CB 0.554 30.026 29.460 0.019 0.000 1.233 463 W HN -0.045 nan 8.180 nan 0.000 0.447 464 Q N 1.990 121.908 119.800 0.196 0.000 2.353 464 Q HA 0.381 4.721 4.340 -0.000 0.000 0.268 464 Q C 0.201 176.278 176.000 0.129 0.000 1.045 464 Q CA -0.692 55.187 55.803 0.126 0.000 0.811 464 Q CB 2.214 30.991 28.738 0.065 0.000 1.305 464 Q HN 0.553 nan 8.270 nan 0.000 0.447 465 S N 1.411 117.170 115.700 0.098 0.000 2.589 465 S HA 0.282 4.752 4.470 -0.000 0.000 0.265 465 S C -0.191 174.452 174.600 0.072 0.000 1.342 465 S CA -0.543 57.706 58.200 0.082 0.000 1.005 465 S CB 1.237 64.468 63.200 0.052 0.000 0.909 465 S HN 0.593 nan 8.310 nan 0.000 0.555 466 E N 0.940 121.184 120.200 0.073 0.000 2.218 466 E HA 0.568 4.918 4.350 -0.000 0.000 0.263 466 E C -2.797 173.833 176.600 0.052 0.000 0.879 466 E CA -2.160 54.279 56.400 0.065 0.000 0.762 466 E CB 1.005 30.754 29.700 0.082 0.000 1.166 466 E HN 0.543 nan 8.360 nan 0.000 0.415 467 P HA 0.047 nan 4.420 nan 0.000 0.267 467 P C -0.699 176.620 177.300 0.032 0.000 1.200 467 P CA -0.119 63.000 63.100 0.030 0.000 0.772 467 P CB 0.494 32.209 31.700 0.024 0.000 0.855 468 E N 1.502 121.719 120.200 0.028 0.000 2.384 468 E HA 0.082 4.432 4.350 -0.000 0.000 0.266 468 E C -0.068 176.543 176.600 0.019 0.000 1.012 468 E CA -0.277 56.138 56.400 0.026 0.000 0.901 468 E CB 0.405 30.119 29.700 0.022 0.000 0.967 468 E HN 0.389 nan 8.360 nan 0.000 0.435 469 S N 2.882 118.591 115.700 0.015 0.000 2.552 469 S HA -0.052 4.418 4.470 -0.000 0.000 0.289 469 S C 1.179 175.784 174.600 0.008 0.000 1.304 469 S CA -0.090 58.116 58.200 0.010 0.000 1.063 469 S CB 0.852 64.052 63.200 0.001 0.000 0.848 469 S HN 0.531 nan 8.310 nan 0.000 0.499 470 V N 1.817 121.737 119.914 0.010 0.000 2.871 470 V HA 0.073 4.193 4.120 -0.000 0.000 0.256 470 V C 1.418 177.516 176.094 0.007 0.000 1.082 470 V CA 1.459 63.764 62.300 0.009 0.000 1.105 470 V CB -0.537 31.293 31.823 0.010 0.000 0.713 470 V HN 0.812 nan 8.190 nan 0.000 0.473 471 D N 0.935 121.339 120.400 0.007 0.000 2.271 471 D HA 0.117 4.757 4.640 -0.000 0.000 0.206 471 D C 0.740 177.037 176.300 -0.004 0.000 0.967 471 D CA 1.064 55.067 54.000 0.006 0.000 0.867 471 D CB 0.906 41.715 40.800 0.014 0.000 0.960 471 D HN 0.515 nan 8.370 nan 0.000 0.509 472 V N 3.654 123.561 119.914 -0.013 0.000 2.384 472 V HA 0.203 4.323 4.120 -0.000 0.000 0.257 472 V C -2.432 173.650 176.094 -0.021 0.000 0.969 472 V CA -1.288 60.995 62.300 -0.028 0.000 0.910 472 V CB 1.277 33.066 31.823 -0.057 0.000 1.150 472 V HN -0.052 nan 8.190 nan 0.000 0.481 473 P HA 0.369 nan 4.420 nan 0.000 0.275 473 P C -0.343 176.954 177.300 -0.004 0.000 1.228 473 P CA 0.038 63.135 63.100 -0.004 0.000 0.786 473 P CB 1.617 33.316 31.700 -0.000 0.000 0.927 474 A N 3.553 126.376 122.820 0.004 0.000 2.276 474 A HA 0.270 4.590 4.320 -0.000 0.000 0.300 474 A C 0.400 177.989 177.584 0.007 0.000 1.235 474 A CA -0.518 51.525 52.037 0.009 0.000 0.867 474 A CB 0.056 19.072 19.000 0.027 0.000 1.137 474 A HN 0.450 nan 8.150 nan 0.000 0.527 475 Q N 2.946 122.748 119.800 0.003 0.000 2.327 475 Q HA 0.296 4.636 4.340 -0.000 0.000 0.254 475 Q C -2.226 173.776 176.000 0.003 0.000 0.952 475 Q CA -1.594 54.210 55.803 0.002 0.000 0.884 475 Q CB 0.784 29.522 28.738 0.000 0.000 1.224 475 Q HN 0.566 nan 8.270 nan 0.000 0.422 476 P HA 0.145 nan 4.420 nan 0.000 0.272 476 P C -0.316 176.981 177.300 -0.006 0.000 1.230 476 P CA -0.262 62.836 63.100 -0.004 0.000 0.788 476 P CB 0.732 32.429 31.700 -0.006 0.000 0.949 477 I N 2.047 122.609 120.570 -0.012 0.000 2.352 477 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 477 I C 1.145 177.253 176.117 -0.016 0.000 1.036 477 I CA 0.174 61.465 61.300 -0.014 0.000 1.336 477 I CB 0.192 38.177 38.000 -0.025 0.000 1.407 477 I HN 0.412 nan 8.210 nan 0.000 0.497 478 T N 2.051 116.600 114.554 -0.009 0.000 2.912 478 T HA 0.797 5.147 4.350 -0.000 0.000 0.288 478 T C 0.000 174.689 174.700 -0.019 0.000 1.030 478 T CA -0.685 61.408 62.100 -0.011 0.000 1.020 478 T CB 2.204 71.072 68.868 0.000 0.000 1.056 478 T HN 0.639 nan 8.240 nan 0.000 0.480 479 T N -1.159 113.377 114.554 -0.029 0.000 2.930 479 T HA 0.746 5.096 4.350 -0.000 0.000 0.290 479 T C 0.295 174.987 174.700 -0.014 0.000 1.052 479 T CA -0.729 61.344 62.100 -0.046 0.000 1.017 479 T CB 1.326 70.142 68.868 -0.088 0.000 1.137 479 T HN 1.000 nan 8.240 nan 0.000 0.511 480 T N -0.627 113.921 114.554 -0.009 0.000 2.902 480 T HA 0.414 4.764 4.350 -0.000 0.000 0.280 480 T C 0.835 175.583 174.700 0.080 0.000 0.992 480 T CA -0.849 61.282 62.100 0.053 0.000 1.015 480 T CB 0.642 69.546 68.868 0.060 0.000 1.044 480 T HN 0.520 nan 8.240 nan 0.000 0.520 481 F N 0.767 120.733 119.950 0.028 0.000 2.091 481 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 481 F C 1.916 177.781 175.800 0.109 0.000 1.103 481 F CA 1.484 59.540 58.000 0.094 0.000 1.228 481 F CB -0.534 38.521 39.000 0.092 0.000 0.984 481 F HN 0.507 nan 8.300 nan 0.000 0.477 482 L N -0.088 121.226 121.223 0.151 0.000 2.056 482 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 482 L C 2.402 179.252 176.870 -0.033 0.000 1.078 482 L CA 1.648 56.525 54.840 0.062 0.000 0.749 482 L CB -0.754 41.380 42.059 0.125 0.000 0.901 482 L HN 0.136 nan 8.230 nan 0.000 0.433 483 E N -0.165 120.010 120.200 -0.041 0.000 2.085 483 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 483 E C 2.371 178.853 176.600 -0.196 0.000 0.994 483 E CA 1.114 57.453 56.400 -0.102 0.000 0.801 483 E CB -0.006 29.625 29.700 -0.116 0.000 0.743 483 E HN 0.364 nan 8.360 nan 0.000 0.453 484 R N -0.480 119.845 120.500 -0.291 0.000 2.092 484 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 484 R C 1.713 177.626 176.300 -0.646 0.000 1.119 484 R CA 1.065 56.863 56.100 -0.504 0.000 0.970 484 R CB 0.016 29.910 30.300 -0.676 0.000 0.864 484 R HN 0.316 nan 8.270 nan 0.000 0.440 485 H N -0.948 117.927 119.070 -0.325 0.000 3.046 485 H HA 0.206 4.762 4.556 -0.000 0.000 0.262 485 H C 0.350 175.563 175.328 -0.192 0.000 1.044 485 H CA -0.207 55.648 56.048 -0.321 0.000 1.209 485 H CB 0.482 29.901 29.762 -0.572 0.000 1.507 485 H HN 0.020 nan 8.280 nan 0.000 0.507 486 L N 4.520 125.713 121.223 -0.051 0.000 2.525 486 L HA 0.045 4.385 4.340 -0.000 0.000 0.278 486 L C -1.655 175.197 176.870 -0.030 0.000 1.218 486 L CA -1.373 53.463 54.840 -0.007 0.000 0.878 486 L CB 0.292 42.378 42.059 0.046 0.000 1.127 486 L HN -0.016 nan 8.230 nan 0.000 0.492 487 P HA 0.094 nan 4.420 nan 0.000 0.274 487 P C -0.540 176.718 177.300 -0.071 0.000 1.237 487 P CA -0.559 62.510 63.100 -0.051 0.000 0.793 487 P CB 0.937 32.605 31.700 -0.052 0.000 0.977 488 S N 0.436 116.075 115.700 -0.102 0.000 2.606 488 S HA 0.071 4.541 4.470 -0.000 0.000 0.257 488 S C 1.505 175.974 174.600 -0.219 0.000 1.327 488 S CA -0.522 57.592 58.200 -0.143 0.000 0.984 488 S CB -0.354 62.757 63.200 -0.150 0.000 0.941 488 S HN 0.223 nan 8.310 nan 0.000 0.576 489 V N 2.329 122.045 119.914 -0.330 0.000 2.261 489 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 489 V C -0.411 175.278 176.094 -0.676 0.000 1.047 489 V CA 1.885 63.903 62.300 -0.470 0.000 1.015 489 V CB -1.960 29.572 31.823 -0.485 0.000 0.642 489 V HN 0.802 nan 8.190 nan 0.000 0.446 490 P HA -0.125 nan 4.420 nan 0.000 0.218 490 P C 1.728 178.828 177.300 -0.333 0.000 1.148 490 P CA 2.010 64.672 63.100 -0.731 0.000 0.822 490 P CB -0.292 31.085 31.700 -0.538 0.000 0.784 491 G N 0.448 109.094 108.800 -0.257 0.000 2.418 491 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 491 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 491 G C 1.517 176.340 174.900 -0.127 0.000 1.158 491 G CA 0.467 45.478 45.100 -0.148 0.000 0.771 491 G HN 0.235 nan 8.290 nan 0.000 0.545 492 L N 0.345 121.478 121.223 -0.150 0.000 2.093 492 L HA 0.168 4.508 4.340 -0.000 0.000 0.208 492 L C 2.661 179.469 176.870 -0.104 0.000 1.085 492 L CA 1.196 55.971 54.840 -0.108 0.000 0.755 492 L CB -0.294 41.705 42.059 -0.100 0.000 0.904 492 L HN 0.188 nan 8.230 nan 0.000 0.435 493 L N -1.055 120.077 121.223 -0.151 0.000 2.141 493 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 493 L C 2.697 179.525 176.870 -0.071 0.000 1.094 493 L CA 0.901 55.673 54.840 -0.113 0.000 0.763 493 L CB -0.514 41.452 42.059 -0.156 0.000 0.908 493 L HN 0.219 nan 8.230 nan 0.000 0.437 494 R N -0.341 120.112 120.500 -0.077 0.000 2.115 494 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 494 R C 2.221 178.500 176.300 -0.034 0.000 1.100 494 R CA 0.905 56.978 56.100 -0.045 0.000 0.980 494 R CB -0.350 29.925 30.300 -0.043 0.000 0.875 494 R HN 0.263 nan 8.270 nan 0.000 0.445 495 L N 0.726 121.924 121.223 -0.041 0.000 2.141 495 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 495 L C 2.109 178.966 176.870 -0.022 0.000 1.094 495 L CA 1.267 56.090 54.840 -0.029 0.000 0.763 495 L CB -0.086 41.954 42.059 -0.031 0.000 0.908 495 L HN 0.081 nan 8.230 nan 0.000 0.437 496 I N -1.362 119.192 120.570 -0.026 0.000 2.286 496 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 496 I C 2.433 178.543 176.117 -0.011 0.000 1.104 496 I CA 1.237 62.527 61.300 -0.017 0.000 1.397 496 I CB -0.789 37.199 38.000 -0.019 0.000 1.072 496 I HN 0.294 nan 8.210 nan 0.000 0.417 497 G N 0.677 109.471 108.800 -0.011 0.000 2.432 497 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 497 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 497 G C 1.624 176.522 174.900 -0.004 0.000 1.135 497 G CA 0.457 45.554 45.100 -0.005 0.000 0.767 497 G HN 0.164 nan 8.290 nan 0.000 0.550 498 L N 0.885 122.104 121.223 -0.007 0.000 2.017 498 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 498 L C 3.086 179.954 176.870 -0.004 0.000 1.073 498 L CA 2.107 56.944 54.840 -0.005 0.000 0.745 498 L CB -0.706 41.349 42.059 -0.008 0.000 0.894 498 L HN 0.164 nan 8.230 nan 0.000 0.432 499 T N -1.905 112.646 114.554 -0.004 0.000 3.007 499 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 499 T C 0.898 175.597 174.700 -0.001 0.000 1.107 499 T CA 1.010 63.108 62.100 -0.003 0.000 1.118 499 T CB -0.477 68.388 68.868 -0.003 0.000 0.889 499 T HN 0.293 nan 8.240 nan 0.000 0.506 500 T N 2.614 117.168 114.554 -0.000 0.000 4.219 500 T HA 0.551 4.901 4.350 -0.000 0.000 0.263 500 T C 0.177 174.878 174.700 0.002 0.000 1.217 500 T CA -0.101 62.000 62.100 0.001 0.000 1.145 500 T CB -1.354 67.515 68.868 0.003 0.000 1.298 500 T HN 0.444 nan 8.240 nan 0.000 0.999 501 I N 0.000 120.571 120.570 0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.001 0.000 1.566 501 I CB 0.000 38.001 38.000 0.001 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494