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 2jlb_1_B DATA FIRST_RESID 21 DATA SEQUENCE QDFVAWLMLA DAELGMGDTT AGEMAVQRGL ALHPGHPEAV ARLGRVRWTQ DATA SEQUENCE QRHAEAAVLL QQASDAAPEH PGIALWLGHA LEDAGQAEAA AAAYTRAHQL DATA SEQUENCE LPEEPYITAQ LLNWRRRLCD WRALDVLSAQ VRAAVAQGVG AVEPFAFLSE DATA SEQUENCE DASAAEQLAC ARTRAQAIAA SVRPLAPTRV RSKGPLRVGF VSNGFGAHPT DATA SEQUENCE GLLTVALFEA LQRRQPDLQM HLFATSGDDG STLRTRLAQA STLHDVTALG DATA SEQUENCE HLATAKHIRH HGIDLLFDLR GWGGGGRPEV FALRPAPVQV NWLAYPGTSG DATA SEQUENCE APWMDYVLGD AFALPPALEP FYSEHVLRLQ GAFQPSDTSR VVAEPPSRTQ DATA SEQUENCE CGLPEQGVVL CCFNNSYKLN PQSMARMLAV LREVPDSVLW LLSGPGEADA DATA SEQUENCE RLRAFAHAQG VDAQRLVFMP KLPHPQYLAR YRHADLFLDT HPYNAHTTAS DATA SEQUENCE DALWTGCPVL TTPGETFAAR VAGSLNHHLG LDEMNVADDA AFVAKAVALA DATA SEQUENCE SDPAALTALH ARVDVLRRAS GVFHMDGFAD DFGALLQALA RRHGWLGI 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 176.156 176.000 0.259 0.000 1.003 21 Q CA 0.000 55.951 55.803 0.247 0.000 1.022 21 Q CB 0.000 28.821 28.738 0.138 0.000 1.108 22 D N 1.258 121.757 120.400 0.164 0.000 2.411 22 D HA 0.131 4.772 4.640 0.001 0.000 0.225 22 D C 0.767 177.222 176.300 0.259 0.000 1.156 22 D CA -0.358 53.722 54.000 0.134 0.000 0.874 22 D CB 0.116 40.903 40.800 -0.023 0.000 1.034 22 D HN -0.066 nan 8.370 nan 0.000 0.502 23 F N 4.098 124.182 119.950 0.224 0.000 2.087 23 F HA -0.292 4.236 4.527 0.001 0.000 0.299 23 F C 1.701 177.588 175.800 0.145 0.000 1.100 23 F CA 1.549 59.694 58.000 0.241 0.000 1.226 23 F CB -0.209 38.879 39.000 0.148 0.000 0.983 23 F HN 0.253 nan 8.300 nan 0.000 0.479 24 V N 0.637 120.515 119.914 -0.059 0.000 2.392 24 V HA -0.310 3.810 4.120 0.001 0.000 0.249 24 V C 2.761 178.753 176.094 -0.169 0.000 1.059 24 V CA 1.819 64.001 62.300 -0.198 0.000 1.051 24 V CB -1.684 30.116 31.823 -0.037 0.000 0.658 24 V HN 0.536 nan 8.190 nan 0.000 0.455 25 A N -1.323 121.422 122.820 -0.126 0.000 1.969 25 A HA -0.192 4.129 4.320 0.001 0.000 0.218 25 A C 1.925 179.385 177.584 -0.207 0.000 1.169 25 A CA 1.395 53.319 52.037 -0.189 0.000 0.635 25 A CB -0.701 18.143 19.000 -0.260 0.000 0.810 25 A HN 0.663 nan 8.150 nan 0.000 0.445 26 W N -0.019 121.210 121.300 -0.119 0.000 2.379 26 W HA -0.070 4.591 4.660 0.001 0.000 0.307 26 W C 2.030 178.464 176.519 -0.141 0.000 1.200 26 W CA 0.944 58.225 57.345 -0.105 0.000 1.297 26 W CB -0.378 29.036 29.460 -0.077 0.000 1.140 26 W HN 0.215 nan 8.180 nan 0.000 0.507 27 L N -0.506 120.701 121.223 -0.027 0.000 2.046 27 L HA -0.263 4.078 4.340 0.001 0.000 0.208 27 L C 2.415 179.266 176.870 -0.031 0.000 1.077 27 L CA 1.311 56.102 54.840 -0.081 0.000 0.747 27 L CB -0.793 41.114 42.059 -0.253 0.000 0.896 27 L HN 0.037 nan 8.230 nan 0.000 0.432 28 M N -0.974 118.591 119.600 -0.059 0.000 2.080 28 M HA -0.250 4.231 4.480 0.001 0.000 0.260 28 M C 2.330 178.618 176.300 -0.020 0.000 1.068 28 M CA 1.713 56.988 55.300 -0.041 0.000 1.109 28 M CB -0.390 32.172 32.600 -0.064 0.000 1.342 28 M HN 0.208 nan 8.290 nan 0.000 0.405 29 L N 0.329 121.539 121.223 -0.021 0.000 2.093 29 L HA -0.065 4.276 4.340 0.001 0.000 0.208 29 L C 2.537 179.435 176.870 0.046 0.000 1.085 29 L CA 1.799 56.638 54.840 -0.001 0.000 0.755 29 L CB -0.659 41.387 42.059 -0.022 0.000 0.904 29 L HN 0.208 nan 8.230 nan 0.000 0.435 30 A N -1.086 121.780 122.820 0.076 0.000 1.969 30 A HA -0.187 4.134 4.320 0.001 0.000 0.218 30 A C 1.946 179.560 177.584 0.049 0.000 1.169 30 A CA 1.749 53.832 52.037 0.077 0.000 0.635 30 A CB -0.609 18.441 19.000 0.084 0.000 0.810 30 A HN 0.477 nan 8.150 nan 0.000 0.445 31 D N 0.133 120.558 120.400 0.042 0.000 2.117 31 D HA -0.005 4.636 4.640 0.001 0.000 0.198 31 D C 2.249 178.567 176.300 0.030 0.000 0.982 31 D CA 1.405 55.431 54.000 0.043 0.000 0.828 31 D CB -0.412 40.417 40.800 0.048 0.000 0.967 31 D HN 0.406 nan 8.370 nan 0.000 0.464 32 A N 1.514 124.347 122.820 0.021 0.000 1.902 32 A HA -0.187 4.133 4.320 0.001 0.000 0.217 32 A C 2.028 179.622 177.584 0.017 0.000 1.181 32 A CA 1.311 53.356 52.037 0.014 0.000 0.623 32 A CB -0.290 18.712 19.000 0.002 0.000 0.818 32 A HN 0.097 nan 8.150 nan 0.000 0.443 33 E N 0.317 120.530 120.200 0.023 0.000 2.031 33 E HA -0.162 4.189 4.350 0.001 0.000 0.193 33 E C 2.133 178.743 176.600 0.017 0.000 0.994 33 E CA 1.075 57.487 56.400 0.021 0.000 0.800 33 E CB -0.685 29.033 29.700 0.030 0.000 0.752 33 E HN 0.649 nan 8.360 nan 0.000 0.447 34 L N 0.794 122.028 121.223 0.018 0.000 1.978 34 L HA -0.207 4.134 4.340 0.001 0.000 0.218 34 L C 2.681 179.562 176.870 0.017 0.000 1.075 34 L CA 1.756 56.603 54.840 0.012 0.000 0.767 34 L CB -1.242 40.818 42.059 0.001 0.000 0.890 34 L HN 0.248 nan 8.230 nan 0.000 0.434 35 G N -0.556 108.257 108.800 0.022 0.000 2.517 35 G HA2 -0.270 3.690 3.960 0.001 0.000 0.222 35 G HA3 -0.270 3.690 3.960 0.001 0.000 0.222 35 G C 1.327 176.241 174.900 0.023 0.000 1.109 35 G CA 0.859 45.974 45.100 0.026 0.000 0.746 35 G HN 0.224 nan 8.290 nan 0.000 0.576 36 M N 0.223 119.833 119.600 0.017 0.000 2.431 36 M HA 0.287 4.768 4.480 0.001 0.000 0.237 36 M C 1.559 177.864 176.300 0.009 0.000 1.130 36 M CA -0.387 54.921 55.300 0.013 0.000 1.002 36 M CB -0.435 32.170 32.600 0.009 0.000 1.524 36 M HN 0.374 nan 8.290 nan 0.000 0.482 37 G N 1.797 110.603 108.800 0.010 0.000 2.225 37 G HA2 -0.222 3.739 3.960 0.001 0.000 0.264 37 G HA3 -0.222 3.739 3.960 0.001 0.000 0.264 37 G C -0.118 174.779 174.900 -0.005 0.000 1.060 37 G CA 0.372 45.472 45.100 0.001 0.000 0.833 37 G HN 0.461 nan 8.290 nan 0.000 0.498 38 D N 0.457 120.858 120.400 0.001 0.000 2.863 38 D HA 0.375 5.015 4.640 0.001 0.000 0.323 38 D C 2.059 178.360 176.300 0.002 0.000 1.286 38 D CA 0.515 54.516 54.000 0.002 0.000 0.921 38 D CB -0.224 40.581 40.800 0.009 0.000 1.024 38 D HN 0.289 nan 8.370 nan 0.000 0.505 39 T N -2.415 112.135 114.554 -0.006 0.000 2.653 39 T HA -0.286 4.064 4.350 0.001 0.000 0.268 39 T C 1.884 176.581 174.700 -0.005 0.000 1.035 39 T CA 2.106 64.201 62.100 -0.010 0.000 1.154 39 T CB -0.660 68.194 68.868 -0.024 0.000 0.862 39 T HN 0.263 nan 8.240 nan 0.000 0.441 40 T N 1.262 115.812 114.554 -0.006 0.000 2.777 40 T HA 0.126 4.477 4.350 0.001 0.000 0.266 40 T C 2.161 176.866 174.700 0.008 0.000 1.040 40 T CA 1.452 63.550 62.100 -0.003 0.000 1.141 40 T CB -0.799 68.065 68.868 -0.006 0.000 0.868 40 T HN 0.554 nan 8.240 nan 0.000 0.444 41 A N 0.021 122.851 122.820 0.018 0.000 2.123 41 A HA 0.406 4.727 4.320 0.001 0.000 0.214 41 A C 2.480 180.094 177.584 0.051 0.000 1.152 41 A CA 1.211 53.270 52.037 0.037 0.000 0.728 41 A CB -0.958 18.065 19.000 0.038 0.000 0.814 41 A HN 0.593 nan 8.150 nan 0.000 0.464 42 G N -0.539 108.282 108.800 0.035 0.000 2.421 42 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 42 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 42 G C 1.420 176.339 174.900 0.033 0.000 1.143 42 G CA 0.883 46.007 45.100 0.040 0.000 0.784 42 G HN 0.599 nan 8.290 nan 0.000 0.541 43 E N -0.136 120.072 120.200 0.013 0.000 2.047 43 E HA -0.088 4.262 4.350 0.001 0.000 0.191 43 E C 2.626 179.216 176.600 -0.017 0.000 0.987 43 E CA 0.519 56.918 56.400 -0.002 0.000 0.799 43 E CB -0.143 29.551 29.700 -0.011 0.000 0.752 43 E HN 0.273 nan 8.360 nan 0.000 0.449 44 M N 0.436 120.030 119.600 -0.011 0.000 2.147 44 M HA -0.288 4.193 4.480 0.001 0.000 0.253 44 M C 2.506 178.745 176.300 -0.101 0.000 1.075 44 M CA 1.940 57.217 55.300 -0.039 0.000 1.085 44 M CB -0.859 31.752 32.600 0.018 0.000 1.305 44 M HN 0.202 nan 8.290 nan 0.000 0.409 45 A N -0.260 122.572 122.820 0.020 0.000 1.898 45 A HA -0.063 4.257 4.320 0.001 0.000 0.216 45 A C 2.329 179.907 177.584 -0.010 0.000 1.181 45 A CA 1.666 53.775 52.037 0.120 0.000 0.620 45 A CB -0.937 18.266 19.000 0.338 0.000 0.819 45 A HN 0.323 nan 8.150 nan 0.000 0.442 46 V N 0.234 120.151 119.914 0.004 0.000 2.255 46 V HA -0.300 3.820 4.120 0.001 0.000 0.247 46 V C 2.765 178.825 176.094 -0.057 0.000 1.051 46 V CA 2.135 64.434 62.300 -0.003 0.000 1.018 46 V CB -0.849 30.985 31.823 0.018 0.000 0.641 46 V HN 0.561 nan 8.190 nan 0.000 0.445 47 Q N -0.193 119.552 119.800 -0.092 0.000 2.077 47 Q HA -0.217 4.124 4.340 0.001 0.000 0.206 47 Q C 2.435 178.308 176.000 -0.210 0.000 0.989 47 Q CA 1.452 57.186 55.803 -0.115 0.000 0.853 47 Q CB -0.521 28.154 28.738 -0.106 0.000 0.907 47 Q HN 0.512 nan 8.270 nan 0.000 0.418 48 R N -0.274 119.972 120.500 -0.423 0.000 2.127 48 R HA -0.085 4.255 4.340 0.001 0.000 0.238 48 R C 2.238 178.228 176.300 -0.517 0.000 1.134 48 R CA 1.248 56.921 56.100 -0.712 0.000 0.975 48 R CB -1.024 28.253 30.300 -1.705 0.000 0.865 48 R HN 0.412 nan 8.270 nan 0.000 0.447 49 G N 0.668 109.290 108.800 -0.296 0.000 2.402 49 G HA2 -0.171 3.790 3.960 0.001 0.000 0.216 49 G HA3 -0.171 3.790 3.960 0.001 0.000 0.216 49 G C 1.586 176.612 174.900 0.210 0.000 1.162 49 G CA 0.002 45.154 45.100 0.086 0.000 0.777 49 G HN 0.179 nan 8.290 nan 0.000 0.539 50 L N 0.590 121.866 121.223 0.088 0.000 2.131 50 L HA -0.031 4.309 4.340 0.001 0.000 0.210 50 L C 3.141 180.035 176.870 0.040 0.000 1.092 50 L CA 1.038 55.935 54.840 0.096 0.000 0.759 50 L CB -0.235 41.853 42.059 0.050 0.000 0.903 50 L HN 0.352 nan 8.230 nan 0.000 0.435 51 A N -0.952 121.855 122.820 -0.021 0.000 2.208 51 A HA 0.024 4.345 4.320 0.001 0.000 0.209 51 A C 2.063 179.615 177.584 -0.053 0.000 1.161 51 A CA 0.530 52.538 52.037 -0.048 0.000 0.782 51 A CB -0.116 18.835 19.000 -0.082 0.000 0.816 51 A HN 0.369 nan 8.150 nan 0.000 0.477 52 L N -1.581 119.635 121.223 -0.012 0.000 2.200 52 L HA 0.127 4.468 4.340 0.001 0.000 0.200 52 L C 0.539 177.224 176.870 -0.308 0.000 1.072 52 L CA 0.537 55.339 54.840 -0.063 0.000 0.787 52 L CB -0.013 42.142 42.059 0.160 0.000 0.957 52 L HN 0.388 nan 8.230 nan 0.000 0.459 53 H N -0.026 118.948 119.070 -0.160 0.000 2.675 53 H HA 0.293 4.849 4.556 0.001 0.000 0.258 53 H C -2.355 172.948 175.328 -0.041 0.000 1.271 53 H CA -1.897 54.027 56.048 -0.207 0.000 1.462 53 H CB 0.844 30.276 29.762 -0.551 0.000 1.467 53 H HN -0.041 nan 8.280 nan 0.000 0.501 54 P HA 0.048 nan 4.420 nan 0.000 0.268 54 P C 1.143 178.495 177.300 0.086 0.000 1.205 54 P CA 0.747 63.882 63.100 0.058 0.000 0.771 54 P CB 0.791 32.498 31.700 0.013 0.000 0.858 55 G N 1.055 109.909 108.800 0.091 0.000 2.184 55 G HA2 -0.288 3.672 3.960 0.001 0.000 0.264 55 G HA3 -0.288 3.672 3.960 0.001 0.000 0.264 55 G C 0.182 175.140 174.900 0.097 0.000 0.975 55 G CA 0.288 45.434 45.100 0.076 0.000 0.642 55 G HN 0.816 nan 8.290 nan 0.000 0.536 56 H N 1.527 120.636 119.070 0.065 0.000 2.899 56 H HA 0.409 4.966 4.556 0.001 0.000 0.303 56 H C -0.529 174.853 175.328 0.089 0.000 1.042 56 H CA -0.679 55.412 56.048 0.071 0.000 1.479 56 H CB 1.051 30.855 29.762 0.070 0.000 1.493 56 H HN 0.073 nan 8.280 nan 0.000 0.534 57 P HA -0.243 nan 4.420 nan 0.000 0.216 57 P C 1.001 178.299 177.300 -0.003 0.000 1.154 57 P CA 1.466 64.490 63.100 -0.126 0.000 0.865 57 P CB 0.346 31.927 31.700 -0.198 0.000 0.789 58 E N -1.077 119.205 120.200 0.137 0.000 2.208 58 E HA -0.053 4.297 4.350 0.001 0.000 0.193 58 E C 1.982 178.739 176.600 0.261 0.000 0.988 58 E CA 1.179 57.715 56.400 0.226 0.000 0.828 58 E CB -0.518 29.397 29.700 0.359 0.000 0.763 58 E HN 0.212 nan 8.360 nan 0.000 0.478 59 A N 0.954 123.998 122.820 0.374 0.000 1.878 59 A HA -0.039 4.281 4.320 0.001 0.000 0.213 59 A C 2.559 180.250 177.584 0.178 0.000 1.192 59 A CA 0.682 52.878 52.037 0.265 0.000 0.619 59 A CB -0.517 18.699 19.000 0.360 0.000 0.837 59 A HN 0.091 nan 8.150 nan 0.000 0.446 60 V N 0.202 120.214 119.914 0.164 0.000 2.332 60 V HA -0.267 3.853 4.120 0.001 0.000 0.248 60 V C 3.037 179.187 176.094 0.093 0.000 1.055 60 V CA 2.029 64.391 62.300 0.104 0.000 1.038 60 V CB -1.156 30.713 31.823 0.076 0.000 0.651 60 V HN 0.595 nan 8.190 nan 0.000 0.450 61 A N -0.311 122.572 122.820 0.105 0.000 1.930 61 A HA -0.200 4.121 4.320 0.001 0.000 0.217 61 A C 2.357 180.069 177.584 0.215 0.000 1.175 61 A CA 1.661 53.791 52.037 0.155 0.000 0.627 61 A CB -0.476 18.596 19.000 0.121 0.000 0.815 61 A HN 0.485 nan 8.150 nan 0.000 0.443 62 R N -1.225 119.399 120.500 0.207 0.000 2.096 62 R HA -0.104 4.236 4.340 0.001 0.000 0.235 62 R C 2.020 178.350 176.300 0.049 0.000 1.127 62 R CA 1.356 57.541 56.100 0.141 0.000 0.968 62 R CB -0.422 29.961 30.300 0.139 0.000 0.861 62 R HN 0.471 nan 8.270 nan 0.000 0.440 63 L N 0.077 121.335 121.223 0.059 0.000 2.056 63 L HA 0.008 4.349 4.340 0.001 0.000 0.207 63 L C 2.106 178.988 176.870 0.020 0.000 1.078 63 L CA 1.991 56.850 54.840 0.032 0.000 0.749 63 L CB -1.002 41.080 42.059 0.037 0.000 0.901 63 L HN 0.192 nan 8.230 nan 0.000 0.433 64 G N -1.132 107.687 108.800 0.032 0.000 2.442 64 G HA2 -0.338 3.623 3.960 0.001 0.000 0.219 64 G HA3 -0.338 3.623 3.960 0.001 0.000 0.219 64 G C 1.773 176.665 174.900 -0.014 0.000 1.141 64 G CA 0.816 45.932 45.100 0.028 0.000 0.763 64 G HN 0.286 nan 8.290 nan 0.000 0.554 65 R N 0.055 120.490 120.500 -0.108 0.000 2.115 65 R HA 0.075 4.415 4.340 0.001 0.000 0.226 65 R C 2.670 178.928 176.300 -0.071 0.000 1.100 65 R CA 0.846 56.784 56.100 -0.270 0.000 0.980 65 R CB -0.717 29.204 30.300 -0.632 0.000 0.875 65 R HN 0.269 nan 8.270 nan 0.000 0.445 66 V N 1.105 120.995 119.914 -0.039 0.000 2.223 66 V HA -0.279 3.842 4.120 0.001 0.000 0.244 66 V C 2.336 178.429 176.094 -0.002 0.000 1.045 66 V CA 1.957 64.249 62.300 -0.013 0.000 1.000 66 V CB -0.510 31.305 31.823 -0.012 0.000 0.635 66 V HN 0.268 nan 8.190 nan 0.000 0.445 67 R N -1.102 119.397 120.500 -0.002 0.000 2.133 67 R HA -0.270 4.071 4.340 0.001 0.000 0.247 67 R C 1.991 178.254 176.300 -0.062 0.000 1.151 67 R CA 2.207 58.291 56.100 -0.026 0.000 0.971 67 R CB -1.056 29.242 30.300 -0.003 0.000 0.866 67 R HN 0.755 nan 8.270 nan 0.000 0.447 68 W N 1.567 122.741 121.300 -0.211 0.000 2.358 68 W HA -0.171 4.490 4.660 0.001 0.000 0.303 68 W C 1.910 178.253 176.519 -0.293 0.000 1.208 68 W CA 2.004 59.182 57.345 -0.277 0.000 1.274 68 W CB -0.232 29.094 29.460 -0.222 0.000 1.138 68 W HN -0.011 nan 8.180 nan 0.000 0.515 69 T N 0.437 114.970 114.554 -0.034 0.000 2.812 69 T HA -0.209 4.141 4.350 0.001 0.000 0.264 69 T C 1.469 176.024 174.700 -0.243 0.000 1.042 69 T CA 1.573 63.565 62.100 -0.180 0.000 1.140 69 T CB -0.464 68.408 68.868 0.007 0.000 0.870 69 T HN 0.272 nan 8.240 nan 0.000 0.445 70 Q N 1.157 120.853 119.800 -0.173 0.000 2.576 70 Q HA -0.057 4.283 4.340 0.001 0.000 0.218 70 Q C 0.516 176.381 176.000 -0.226 0.000 0.983 70 Q CA 0.411 56.120 55.803 -0.157 0.000 0.920 70 Q CB -0.338 28.338 28.738 -0.103 0.000 0.973 70 Q HN 0.544 nan 8.270 nan 0.000 0.528 71 Q N -1.395 118.155 119.800 -0.416 0.000 2.416 71 Q HA -0.220 4.120 4.340 0.001 0.000 0.235 71 Q C -0.475 175.224 176.000 -0.501 0.000 0.773 71 Q CA 0.756 56.194 55.803 -0.607 0.000 1.286 71 Q CB -1.421 27.188 28.738 -0.216 0.000 1.556 71 Q HN 0.456 nan 8.270 nan 0.000 0.650 72 R N 1.266 121.567 120.500 -0.333 0.000 4.164 72 R HA 0.108 4.449 4.340 0.001 0.000 0.195 72 R C 1.120 177.345 176.300 -0.125 0.000 1.712 72 R CA -0.165 55.846 56.100 -0.149 0.000 1.457 72 R CB -0.027 30.225 30.300 -0.080 0.000 1.387 72 R HN 0.293 nan 8.270 nan 0.000 0.785 73 H N 0.596 119.653 119.070 -0.022 0.000 2.421 73 H HA -0.132 4.425 4.556 0.001 0.000 0.298 73 H C 1.852 177.217 175.328 0.061 0.000 1.087 73 H CA 1.566 57.630 56.048 0.027 0.000 1.330 73 H CB 0.299 30.061 29.762 0.001 0.000 1.388 73 H HN 0.533 nan 8.280 nan 0.000 0.526 74 A N 1.444 124.351 122.820 0.145 0.000 1.872 74 A HA -0.135 4.185 4.320 0.001 0.000 0.214 74 A C 2.253 179.879 177.584 0.070 0.000 1.187 74 A CA 1.192 53.287 52.037 0.097 0.000 0.614 74 A CB -0.273 18.770 19.000 0.071 0.000 0.826 74 A HN 0.399 nan 8.150 nan 0.000 0.442 75 E N 0.119 120.349 120.200 0.051 0.000 2.153 75 E HA -0.083 4.267 4.350 0.001 0.000 0.194 75 E C 2.181 178.809 176.600 0.046 0.000 0.988 75 E CA 0.830 57.252 56.400 0.037 0.000 0.811 75 E CB -0.293 29.419 29.700 0.018 0.000 0.746 75 E HN 0.616 nan 8.360 nan 0.000 0.466 76 A N 1.650 124.509 122.820 0.064 0.000 1.902 76 A HA -0.119 4.201 4.320 0.001 0.000 0.217 76 A C 2.426 180.063 177.584 0.087 0.000 1.181 76 A CA 1.666 53.757 52.037 0.090 0.000 0.623 76 A CB -0.678 18.425 19.000 0.172 0.000 0.818 76 A HN 0.299 nan 8.150 nan 0.000 0.443 77 A N -0.627 122.252 122.820 0.097 0.000 1.902 77 A HA -0.007 4.313 4.320 0.001 0.000 0.217 77 A C 2.242 179.855 177.584 0.048 0.000 1.181 77 A CA 1.785 53.865 52.037 0.072 0.000 0.623 77 A CB -0.991 18.055 19.000 0.076 0.000 0.818 77 A HN 0.386 nan 8.150 nan 0.000 0.443 78 V N -0.039 119.902 119.914 0.045 0.000 2.287 78 V HA -0.271 3.850 4.120 0.001 0.000 0.248 78 V C 2.590 178.702 176.094 0.030 0.000 1.053 78 V CA 2.084 64.403 62.300 0.033 0.000 1.027 78 V CB -0.706 31.135 31.823 0.030 0.000 0.646 78 V HN 0.569 nan 8.190 nan 0.000 0.447 79 L N -1.051 120.193 121.223 0.035 0.000 2.056 79 L HA -0.163 4.177 4.340 0.001 0.000 0.207 79 L C 2.302 179.194 176.870 0.037 0.000 1.078 79 L CA 1.469 56.330 54.840 0.035 0.000 0.749 79 L CB -0.393 41.690 42.059 0.039 0.000 0.901 79 L HN 0.277 nan 8.230 nan 0.000 0.433 80 L N -0.874 120.375 121.223 0.042 0.000 2.291 80 L HA -0.172 4.169 4.340 0.001 0.000 0.214 80 L C 2.537 179.420 176.870 0.021 0.000 1.120 80 L CA 0.517 55.383 54.840 0.042 0.000 0.799 80 L CB -0.213 41.880 42.059 0.056 0.000 0.925 80 L HN 0.277 nan 8.230 nan 0.000 0.446 81 Q N 0.027 119.838 119.800 0.019 0.000 2.123 81 Q HA -0.225 4.115 4.340 0.001 0.000 0.199 81 Q C 2.122 178.126 176.000 0.007 0.000 0.966 81 Q CA 1.506 57.314 55.803 0.009 0.000 0.845 81 Q CB -0.071 28.674 28.738 0.011 0.000 0.907 81 Q HN 0.418 nan 8.270 nan 0.000 0.439 82 Q N -0.648 119.159 119.800 0.012 0.000 2.002 82 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 82 Q C 1.907 177.907 176.000 0.000 0.000 0.988 82 Q CA 1.874 57.682 55.803 0.009 0.000 0.843 82 Q CB -0.390 28.358 28.738 0.016 0.000 0.908 82 Q HN 0.481 nan 8.270 nan 0.000 0.420 83 A N 0.295 123.115 122.820 -0.001 0.000 1.892 83 A HA -0.263 4.058 4.320 0.001 0.000 0.218 83 A C 2.237 179.798 177.584 -0.038 0.000 1.188 83 A CA 2.232 54.254 52.037 -0.024 0.000 0.631 83 A CB -1.222 17.762 19.000 -0.027 0.000 0.822 83 A HN 0.531 nan 8.150 nan 0.000 0.447 84 S N -0.355 115.328 115.700 -0.027 0.000 2.356 84 S HA -0.204 4.267 4.470 0.001 0.000 0.223 84 S C 1.666 176.259 174.600 -0.012 0.000 1.032 84 S CA 1.777 59.963 58.200 -0.023 0.000 1.005 84 S CB -0.595 62.594 63.200 -0.017 0.000 0.867 84 S HN 0.571 nan 8.310 nan 0.000 0.449 85 D N 1.386 121.780 120.400 -0.008 0.000 2.178 85 D HA 0.004 4.645 4.640 0.001 0.000 0.201 85 D C 2.048 178.343 176.300 -0.008 0.000 0.980 85 D CA 1.261 55.258 54.000 -0.005 0.000 0.842 85 D CB -0.557 40.242 40.800 -0.002 0.000 0.948 85 D HN 0.530 nan 8.370 nan 0.000 0.472 86 A N -0.101 122.711 122.820 -0.015 0.000 2.119 86 A HA 0.347 4.668 4.320 0.001 0.000 0.216 86 A C 1.250 178.819 177.584 -0.026 0.000 1.152 86 A CA 1.091 53.115 52.037 -0.022 0.000 0.708 86 A CB 0.225 19.206 19.000 -0.032 0.000 0.805 86 A HN 0.163 nan 8.150 nan 0.000 0.460 87 A N -0.428 122.382 122.820 -0.017 0.000 3.307 87 A HA 0.561 4.882 4.320 0.001 0.000 0.289 87 A C -1.975 175.623 177.584 0.022 0.000 1.138 87 A CA -0.586 51.454 52.037 0.005 0.000 0.860 87 A CB 0.428 19.442 19.000 0.023 0.000 1.318 87 A HN 0.094 nan 8.150 nan 0.000 0.551 88 P HA -0.106 nan 4.420 nan 0.000 0.231 88 P C 0.508 177.818 177.300 0.016 0.000 1.158 88 P CA 1.091 64.197 63.100 0.010 0.000 0.763 88 P CB 0.361 32.063 31.700 0.004 0.000 0.805 89 E N -1.885 118.326 120.200 0.019 0.000 2.481 89 E HA -0.012 4.339 4.350 0.001 0.000 0.198 89 E C 0.462 177.068 176.600 0.011 0.000 1.027 89 E CA -0.166 56.237 56.400 0.005 0.000 0.900 89 E CB -0.274 29.416 29.700 -0.015 0.000 0.993 89 E HN 0.386 nan 8.360 nan 0.000 0.482 90 H N 3.021 122.055 119.070 -0.059 0.000 3.086 90 H HA 0.068 4.624 4.556 0.001 0.000 0.265 90 H C -1.790 173.483 175.328 -0.090 0.000 1.092 90 H CA -1.865 54.134 56.048 -0.082 0.000 1.487 90 H CB 1.080 30.784 29.762 -0.097 0.000 1.514 90 H HN -0.125 nan 8.280 nan 0.000 0.497 91 P HA -0.057 nan 4.420 nan 0.000 0.216 91 P C 1.598 178.928 177.300 0.050 0.000 1.153 91 P CA 1.364 64.486 63.100 0.038 0.000 0.844 91 P CB 0.102 31.793 31.700 -0.015 0.000 0.787 92 G N -0.014 108.832 108.800 0.078 0.000 2.440 92 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 92 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 92 G C 1.555 176.215 174.900 -0.400 0.000 1.154 92 G CA 0.634 45.621 45.100 -0.189 0.000 0.767 92 G HN 0.230 nan 8.290 nan 0.000 0.552 93 I N 1.223 121.631 120.570 -0.270 0.000 2.163 93 I HA -0.131 4.039 4.170 0.001 0.000 0.240 93 I C 3.331 179.396 176.117 -0.086 0.000 1.081 93 I CA 0.863 61.985 61.300 -0.297 0.000 1.353 93 I CB -0.318 37.461 38.000 -0.369 0.000 1.054 93 I HN 0.243 nan 8.210 nan 0.000 0.407 94 A N 0.746 123.545 122.820 -0.035 0.000 1.927 94 A HA -0.282 4.039 4.320 0.001 0.000 0.220 94 A C 2.261 179.834 177.584 -0.018 0.000 1.185 94 A CA 2.096 54.123 52.037 -0.015 0.000 0.639 94 A CB -0.904 18.104 19.000 0.014 0.000 0.820 94 A HN 0.422 nan 8.150 nan 0.000 0.451 95 L N -1.838 119.401 121.223 0.027 0.000 2.044 95 L HA -0.047 4.294 4.340 0.001 0.000 0.205 95 L C 2.220 179.241 176.870 0.253 0.000 1.075 95 L CA 1.655 56.578 54.840 0.138 0.000 0.747 95 L CB -0.677 41.503 42.059 0.202 0.000 0.903 95 L HN 0.549 nan 8.230 nan 0.000 0.435 96 W N -0.401 120.891 121.300 -0.012 0.000 2.325 96 W HA -0.214 4.446 4.660 0.001 0.000 0.299 96 W C 2.473 178.914 176.519 -0.130 0.000 1.215 96 W CA 1.347 58.622 57.345 -0.117 0.000 1.244 96 W CB -1.232 28.121 29.460 -0.178 0.000 1.140 96 W HN 0.268 nan 8.180 nan 0.000 0.523 97 L N 0.963 122.242 121.223 0.093 0.000 2.017 97 L HA -0.022 4.319 4.340 0.001 0.000 0.208 97 L C 2.481 179.272 176.870 -0.132 0.000 1.073 97 L CA 2.719 57.550 54.840 -0.014 0.000 0.745 97 L CB -1.461 40.574 42.059 -0.039 0.000 0.894 97 L HN -0.003 nan 8.230 nan 0.000 0.432 98 G N -1.360 107.245 108.800 -0.325 0.000 2.529 98 G HA2 -0.339 3.622 3.960 0.001 0.000 0.219 98 G HA3 -0.339 3.622 3.960 0.001 0.000 0.219 98 G C 1.566 176.133 174.900 -0.555 0.000 1.177 98 G CA 1.140 45.740 45.100 -0.834 0.000 0.773 98 G HN 0.591 nan 8.290 nan 0.000 0.573 99 H N 0.741 119.681 119.070 -0.217 0.000 2.290 99 H HA -0.089 4.467 4.556 0.001 0.000 0.298 99 H C 3.027 178.405 175.328 0.084 0.000 1.087 99 H CA 1.567 57.604 56.048 -0.019 0.000 1.291 99 H CB -0.430 29.258 29.762 -0.123 0.000 1.369 99 H HN 0.397 nan 8.280 nan 0.000 0.492 100 A N 0.913 123.831 122.820 0.164 0.000 1.908 100 A HA -0.142 4.178 4.320 0.001 0.000 0.218 100 A C 2.492 180.190 177.584 0.190 0.000 1.181 100 A CA 1.218 53.428 52.037 0.288 0.000 0.627 100 A CB -0.590 18.516 19.000 0.177 0.000 0.818 100 A HN 0.172 nan 8.150 nan 0.000 0.445 101 L N -0.170 121.080 121.223 0.045 0.000 2.056 101 L HA -0.128 4.213 4.340 0.001 0.000 0.207 101 L C 2.394 179.270 176.870 0.009 0.000 1.078 101 L CA 2.212 57.057 54.840 0.010 0.000 0.749 101 L CB -0.985 41.036 42.059 -0.063 0.000 0.901 101 L HN 0.665 nan 8.230 nan 0.000 0.433 102 E N -0.314 119.839 120.200 -0.077 0.000 2.038 102 E HA -0.259 4.092 4.350 0.001 0.000 0.195 102 E C 1.429 178.043 176.600 0.023 0.000 1.000 102 E CA 1.735 58.062 56.400 -0.121 0.000 0.803 102 E CB 0.043 29.510 29.700 -0.387 0.000 0.750 102 E HN 0.421 nan 8.360 nan 0.000 0.448 103 D N -0.251 120.206 120.400 0.095 0.000 2.312 103 D HA -0.056 4.585 4.640 0.001 0.000 0.211 103 D C 1.213 177.463 176.300 -0.083 0.000 0.964 103 D CA 0.980 54.986 54.000 0.010 0.000 0.877 103 D CB 0.004 40.931 40.800 0.211 0.000 0.924 103 D HN 0.272 nan 8.370 nan 0.000 0.515 104 A N -0.216 122.650 122.820 0.077 0.000 2.278 104 A HA 0.436 4.757 4.320 0.001 0.000 0.212 104 A C 1.712 179.326 177.584 0.050 0.000 1.213 104 A CA 0.736 52.820 52.037 0.078 0.000 0.840 104 A CB -0.318 18.754 19.000 0.119 0.000 0.866 104 A HN 0.192 nan 8.150 nan 0.000 0.489 105 G N -0.780 108.051 108.800 0.053 0.000 2.153 105 G HA2 -0.256 3.705 3.960 0.001 0.000 0.252 105 G HA3 -0.256 3.705 3.960 0.001 0.000 0.252 105 G C -0.035 174.927 174.900 0.104 0.000 0.994 105 G CA 0.326 45.475 45.100 0.082 0.000 0.698 105 G HN 0.651 nan 8.290 nan 0.000 0.521 106 Q N -0.255 119.609 119.800 0.106 0.000 2.509 106 Q HA 0.657 4.998 4.340 0.001 0.000 0.230 106 Q C 1.387 177.488 176.000 0.169 0.000 1.089 106 Q CA 0.056 55.923 55.803 0.107 0.000 0.901 106 Q CB 1.326 30.106 28.738 0.070 0.000 1.208 106 Q HN 0.443 nan 8.270 nan 0.000 0.529 107 A N 2.714 125.674 122.820 0.234 0.000 1.840 107 A HA -0.166 4.154 4.320 0.001 0.000 0.214 107 A C 1.813 179.629 177.584 0.386 0.000 1.198 107 A CA 1.018 53.312 52.037 0.427 0.000 0.608 107 A CB 0.021 19.198 19.000 0.295 0.000 0.839 107 A HN 0.547 nan 8.150 nan 0.000 0.443 108 E N 0.118 120.436 120.200 0.197 0.000 2.085 108 E HA -0.163 4.188 4.350 0.001 0.000 0.194 108 E C 2.304 178.982 176.600 0.130 0.000 0.994 108 E CA 1.338 57.825 56.400 0.144 0.000 0.801 108 E CB -0.600 29.142 29.700 0.069 0.000 0.743 108 E HN 0.560 nan 8.360 nan 0.000 0.453 109 A N 1.407 124.284 122.820 0.096 0.000 1.930 109 A HA -0.020 4.301 4.320 0.001 0.000 0.217 109 A C 2.423 180.016 177.584 0.015 0.000 1.175 109 A CA 1.793 53.859 52.037 0.049 0.000 0.627 109 A CB -0.489 18.529 19.000 0.030 0.000 0.815 109 A HN 0.260 nan 8.150 nan 0.000 0.443 110 A N 0.163 122.996 122.820 0.021 0.000 1.865 110 A HA 0.094 4.415 4.320 0.001 0.000 0.217 110 A C 2.530 180.061 177.584 -0.088 0.000 1.191 110 A CA 2.296 54.242 52.037 -0.152 0.000 0.623 110 A CB -1.160 17.705 19.000 -0.225 0.000 0.826 110 A HN 1.119 nan 8.150 nan 0.000 0.444 111 A N -0.274 122.707 122.820 0.268 0.000 1.940 111 A HA 0.116 4.436 4.320 0.001 0.000 0.219 111 A C 2.486 180.196 177.584 0.210 0.000 1.176 111 A CA 2.217 54.504 52.037 0.418 0.000 0.631 111 A CB -0.997 18.295 19.000 0.488 0.000 0.814 111 A HN 1.121 nan 8.150 nan 0.000 0.446 112 A N -0.098 122.790 122.820 0.114 0.000 1.902 112 A HA 0.129 4.450 4.320 0.001 0.000 0.217 112 A C 2.522 180.122 177.584 0.027 0.000 1.181 112 A CA 2.174 54.252 52.037 0.068 0.000 0.623 112 A CB -1.053 17.973 19.000 0.044 0.000 0.818 112 A HN 1.095 nan 8.150 nan 0.000 0.443 113 A N -1.346 121.436 122.820 -0.064 0.000 1.902 113 A HA -0.073 4.247 4.320 0.001 0.000 0.217 113 A C 2.084 179.613 177.584 -0.092 0.000 1.181 113 A CA 1.656 53.615 52.037 -0.129 0.000 0.623 113 A CB -0.793 18.054 19.000 -0.255 0.000 0.818 113 A HN 0.577 nan 8.150 nan 0.000 0.443 114 Y N 0.384 120.690 120.300 0.011 0.000 2.200 114 Y HA -0.122 4.429 4.550 0.001 0.000 0.290 114 Y C 2.954 178.902 175.900 0.079 0.000 1.137 114 Y CA 1.441 59.553 58.100 0.021 0.000 1.163 114 Y CB -1.271 37.182 38.460 -0.011 0.000 0.988 114 Y HN 0.246 nan 8.280 nan 0.000 0.518 115 T N -0.081 114.617 114.554 0.241 0.000 2.699 115 T HA -0.267 4.084 4.350 0.001 0.000 0.268 115 T C 2.061 176.863 174.700 0.171 0.000 1.036 115 T CA 1.888 64.108 62.100 0.201 0.000 1.147 115 T CB -0.239 68.720 68.868 0.151 0.000 0.862 115 T HN 0.259 nan 8.240 nan 0.000 0.446 116 R N 0.473 121.041 120.500 0.112 0.000 2.092 116 R HA 0.056 4.397 4.340 0.001 0.000 0.231 116 R C 2.567 178.913 176.300 0.078 0.000 1.119 116 R CA 1.190 57.334 56.100 0.073 0.000 0.970 116 R CB -0.348 29.976 30.300 0.039 0.000 0.864 116 R HN 0.364 nan 8.270 nan 0.000 0.440 117 A N -0.286 122.598 122.820 0.106 0.000 1.969 117 A HA -0.204 4.117 4.320 0.001 0.000 0.218 117 A C 1.881 179.548 177.584 0.139 0.000 1.169 117 A CA 1.721 53.826 52.037 0.113 0.000 0.635 117 A CB -0.703 18.383 19.000 0.144 0.000 0.810 117 A HN 0.591 nan 8.150 nan 0.000 0.445 118 H N -0.539 118.583 119.070 0.087 0.000 2.395 118 H HA -0.064 4.493 4.556 0.001 0.000 0.299 118 H C 2.032 177.390 175.328 0.051 0.000 1.070 118 H CA 1.976 58.066 56.048 0.070 0.000 1.356 118 H CB -0.174 29.632 29.762 0.074 0.000 1.401 118 H HN 0.558 nan 8.280 nan 0.000 0.524 119 Q N -0.181 119.573 119.800 -0.076 0.000 2.172 119 Q HA -0.032 4.308 4.340 0.001 0.000 0.200 119 Q C 2.025 177.968 176.000 -0.096 0.000 0.964 119 Q CA 1.182 56.910 55.803 -0.126 0.000 0.855 119 Q CB 0.047 28.777 28.738 -0.014 0.000 0.918 119 Q HN 0.552 nan 8.270 nan 0.000 0.444 120 L N -0.208 120.986 121.223 -0.047 0.000 2.217 120 L HA -0.025 4.316 4.340 0.001 0.000 0.211 120 L C 0.558 177.397 176.870 -0.052 0.000 1.107 120 L CA 0.626 55.443 54.840 -0.039 0.000 0.783 120 L CB 0.237 42.286 42.059 -0.015 0.000 0.919 120 L HN 0.186 nan 8.230 nan 0.000 0.442 121 L N 0.501 121.687 121.223 -0.061 0.000 2.502 121 L HA 0.221 4.562 4.340 0.001 0.000 0.249 121 L C -1.581 175.227 176.870 -0.104 0.000 1.446 121 L CA -0.991 53.818 54.840 -0.051 0.000 0.887 121 L CB 1.221 43.281 42.059 0.002 0.000 1.126 121 L HN -0.160 nan 8.230 nan 0.000 0.509 122 P HA -0.189 nan 4.420 nan 0.000 0.219 122 P C 0.412 177.650 177.300 -0.103 0.000 1.146 122 P CA 1.317 64.209 63.100 -0.347 0.000 0.808 122 P CB 0.262 31.826 31.700 -0.226 0.000 0.779 123 E N -0.805 119.381 120.200 -0.023 0.000 2.609 123 E HA 0.189 4.540 4.350 0.001 0.000 0.208 123 E C 0.009 176.643 176.600 0.057 0.000 1.013 123 E CA -0.394 56.027 56.400 0.036 0.000 1.093 123 E CB 0.102 29.814 29.700 0.020 0.000 1.129 123 E HN -0.038 nan 8.360 nan 0.000 0.450 124 E N 2.981 123.230 120.200 0.083 0.000 1.993 124 E HA 0.125 4.475 4.350 0.001 0.000 0.271 124 E C -1.585 175.103 176.600 0.148 0.000 1.008 124 E CA -2.966 53.500 56.400 0.111 0.000 0.814 124 E CB 1.254 31.027 29.700 0.122 0.000 1.098 124 E HN 0.097 nan 8.360 nan 0.000 0.407 125 P HA -0.219 nan 4.420 nan 0.000 0.217 125 P C 1.312 178.680 177.300 0.114 0.000 1.148 125 P CA 0.942 64.103 63.100 0.102 0.000 0.828 125 P CB 0.088 31.832 31.700 0.073 0.000 0.783 126 Y N 1.043 121.365 120.300 0.036 0.000 2.114 126 Y HA -0.212 4.339 4.550 0.001 0.000 0.282 126 Y C 2.376 178.308 175.900 0.053 0.000 1.165 126 Y CA 1.637 59.761 58.100 0.039 0.000 1.148 126 Y CB -1.029 37.457 38.460 0.044 0.000 0.972 126 Y HN -0.186 nan 8.280 nan 0.000 0.504 127 I N -1.263 119.344 120.570 0.061 0.000 2.333 127 I HA -0.254 3.916 4.170 0.001 0.000 0.246 127 I C 2.181 178.285 176.117 -0.021 0.000 1.106 127 I CA 1.461 62.770 61.300 0.014 0.000 1.411 127 I CB -0.642 37.459 38.000 0.169 0.000 1.082 127 I HN 0.135 nan 8.210 nan 0.000 0.420 128 T N 1.043 115.623 114.554 0.044 0.000 2.699 128 T HA -0.235 4.115 4.350 0.001 0.000 0.268 128 T C 2.048 176.680 174.700 -0.114 0.000 1.036 128 T CA 1.658 63.723 62.100 -0.058 0.000 1.147 128 T CB -0.384 68.490 68.868 0.010 0.000 0.862 128 T HN 0.482 nan 8.240 nan 0.000 0.446 129 A N 1.187 123.950 122.820 -0.094 0.000 1.969 129 A HA -0.109 4.211 4.320 0.001 0.000 0.218 129 A C 2.292 179.788 177.584 -0.147 0.000 1.169 129 A CA 1.234 53.217 52.037 -0.091 0.000 0.635 129 A CB -0.492 18.467 19.000 -0.068 0.000 0.810 129 A HN 0.576 nan 8.150 nan 0.000 0.445 130 Q N -1.105 118.543 119.800 -0.254 0.000 2.137 130 Q HA -0.062 4.279 4.340 0.001 0.000 0.198 130 Q C 2.049 177.803 176.000 -0.410 0.000 0.960 130 Q CA 1.123 56.698 55.803 -0.381 0.000 0.847 130 Q CB -0.309 28.089 28.738 -0.566 0.000 0.915 130 Q HN 0.562 nan 8.270 nan 0.000 0.448 131 L N 1.038 122.069 121.223 -0.320 0.000 2.012 131 L HA -0.195 4.146 4.340 0.001 0.000 0.210 131 L C 2.102 178.931 176.870 -0.068 0.000 1.073 131 L CA 1.500 56.237 54.840 -0.171 0.000 0.748 131 L CB -0.715 41.261 42.059 -0.138 0.000 0.891 131 L HN 0.222 nan 8.230 nan 0.000 0.431 132 L N 0.095 121.267 121.223 -0.085 0.000 2.042 132 L HA -0.261 4.079 4.340 0.001 0.000 0.210 132 L C 2.330 179.207 176.870 0.013 0.000 1.076 132 L CA 2.220 57.040 54.840 -0.033 0.000 0.749 132 L CB -1.218 40.820 42.059 -0.036 0.000 0.893 132 L HN 0.604 nan 8.230 nan 0.000 0.432 133 N N -1.201 117.506 118.700 0.011 0.000 2.120 133 N HA -0.277 4.463 4.740 0.001 0.000 0.188 133 N C 2.007 177.600 175.510 0.138 0.000 1.024 133 N CA 1.481 54.567 53.050 0.059 0.000 0.852 133 N CB -0.382 38.141 38.487 0.060 0.000 1.003 133 N HN 0.627 nan 8.380 nan 0.000 0.424 134 W N 1.906 123.147 121.300 -0.099 0.000 2.388 134 W HA -0.052 4.608 4.660 0.001 0.000 0.294 134 W C 2.072 178.606 176.519 0.024 0.000 1.212 134 W CA 0.487 57.813 57.345 -0.031 0.000 1.271 134 W CB 0.036 29.470 29.460 -0.043 0.000 1.126 134 W HN 0.149 nan 8.180 nan 0.000 0.535 135 R N 0.169 120.714 120.500 0.075 0.000 2.081 135 R HA -0.127 4.213 4.340 0.001 0.000 0.235 135 R C 2.081 178.386 176.300 0.008 0.000 1.131 135 R CA 1.060 57.175 56.100 0.025 0.000 0.960 135 R CB -0.718 29.622 30.300 0.066 0.000 0.856 135 R HN 0.275 nan 8.270 nan 0.000 0.436 136 R N 0.295 120.827 120.500 0.054 0.000 2.096 136 R HA -0.071 4.269 4.340 0.001 0.000 0.235 136 R C 2.340 178.668 176.300 0.046 0.000 1.127 136 R CA 1.123 57.294 56.100 0.118 0.000 0.968 136 R CB -0.228 30.148 30.300 0.126 0.000 0.861 136 R HN 0.187 nan 8.270 nan 0.000 0.440 137 R N 0.391 120.830 120.500 -0.101 0.000 2.115 137 R HA 0.006 4.347 4.340 0.001 0.000 0.230 137 R C 1.648 177.765 176.300 -0.305 0.000 1.111 137 R CA 0.866 56.831 56.100 -0.224 0.000 0.976 137 R CB 0.036 29.985 30.300 -0.584 0.000 0.870 137 R HN 0.188 nan 8.270 nan 0.000 0.445 138 L N -0.210 120.812 121.223 -0.335 0.000 2.653 138 L HA 0.111 4.452 4.340 0.001 0.000 0.231 138 L C 0.216 176.931 176.870 -0.259 0.000 1.153 138 L CA -0.408 54.262 54.840 -0.283 0.000 0.933 138 L CB 0.171 42.075 42.059 -0.259 0.000 1.175 138 L HN 0.281 nan 8.230 nan 0.000 0.473 139 C N 1.424 120.583 119.300 -0.235 0.000 3.989 139 C HA -0.191 4.269 4.460 0.001 0.000 0.297 139 C C 0.789 175.282 174.990 -0.828 0.000 1.435 139 C CA 0.491 59.234 59.018 -0.458 0.000 2.040 139 C CB -2.327 25.123 27.740 -0.482 0.000 1.308 139 C HN 0.580 nan 8.230 nan 0.000 0.704 140 D N -0.372 119.771 120.400 -0.427 0.000 2.443 140 D HA 0.288 4.928 4.640 0.001 0.000 0.221 140 D C 0.416 176.671 176.300 -0.075 0.000 1.097 140 D CA -0.434 53.388 54.000 -0.296 0.000 0.865 140 D CB 0.323 41.052 40.800 -0.118 0.000 1.034 140 D HN 0.517 nan 8.370 nan 0.000 0.511 141 W N 3.534 124.786 121.300 -0.081 0.000 3.325 141 W HA 0.221 4.883 4.660 0.003 0.000 0.370 141 W C 0.438 176.927 176.519 -0.051 0.000 1.169 141 W CA -0.714 56.577 57.345 -0.089 0.000 1.874 141 W CB -0.595 28.770 29.460 -0.157 0.000 1.076 141 W HN 0.151 nan 8.180 nan 0.000 0.684 142 R N 1.314 121.899 120.500 0.141 0.000 2.458 142 R HA 0.217 4.558 4.340 0.001 0.000 0.303 142 R C 1.234 177.587 176.300 0.089 0.000 1.013 142 R CA 0.826 56.987 56.100 0.102 0.000 1.026 142 R CB 0.229 30.571 30.300 0.071 0.000 0.948 142 R HN 0.075 nan 8.270 nan 0.000 0.417 143 A N 2.766 125.633 122.820 0.078 0.000 2.826 143 A HA -0.206 4.115 4.320 0.001 0.000 0.274 143 A C 1.124 178.734 177.584 0.042 0.000 1.443 143 A CA 0.834 52.906 52.037 0.058 0.000 0.833 143 A CB -1.546 17.491 19.000 0.063 0.000 1.023 143 A HN 0.745 nan 8.150 nan 0.000 0.600 144 L N 0.702 121.954 121.223 0.049 0.000 2.017 144 L HA -0.174 4.167 4.340 0.001 0.000 0.208 144 L C 2.373 179.232 176.870 -0.019 0.000 1.073 144 L CA 3.041 57.893 54.840 0.019 0.000 0.745 144 L CB -0.496 41.565 42.059 0.004 0.000 0.894 144 L HN 0.694 nan 8.230 nan 0.000 0.432 145 D N -0.873 119.513 120.400 -0.024 0.000 2.126 145 D HA -0.234 4.407 4.640 0.001 0.000 0.190 145 D C 2.095 178.387 176.300 -0.013 0.000 1.001 145 D CA 2.005 55.987 54.000 -0.030 0.000 0.841 145 D CB -1.158 39.631 40.800 -0.020 0.000 0.949 145 D HN 0.325 nan 8.370 nan 0.000 0.446 146 V N 1.110 121.027 119.914 0.005 0.000 2.307 146 V HA -0.206 3.915 4.120 0.001 0.000 0.245 146 V C 2.907 179.009 176.094 0.013 0.000 1.045 146 V CA 1.228 63.538 62.300 0.017 0.000 1.024 146 V CB -0.673 31.172 31.823 0.036 0.000 0.651 146 V HN 0.173 nan 8.190 nan 0.000 0.449 147 L N 0.013 121.236 121.223 0.000 0.000 2.012 147 L HA -0.206 4.134 4.340 0.001 0.000 0.210 147 L C 2.759 179.622 176.870 -0.012 0.000 1.073 147 L CA 1.984 56.810 54.840 -0.024 0.000 0.748 147 L CB -0.734 41.292 42.059 -0.054 0.000 0.891 147 L HN 0.407 nan 8.230 nan 0.000 0.431 148 S N -0.362 115.327 115.700 -0.018 0.000 2.356 148 S HA -0.212 4.259 4.470 0.001 0.000 0.223 148 S C 2.156 176.760 174.600 0.006 0.000 1.032 148 S CA 1.308 59.496 58.200 -0.021 0.000 1.005 148 S CB -0.145 63.019 63.200 -0.061 0.000 0.867 148 S HN 0.442 nan 8.310 nan 0.000 0.449 149 A N 0.891 123.713 122.820 0.003 0.000 1.892 149 A HA -0.207 4.114 4.320 0.001 0.000 0.218 149 A C 2.165 179.769 177.584 0.033 0.000 1.188 149 A CA 1.934 53.981 52.037 0.016 0.000 0.631 149 A CB -0.899 18.108 19.000 0.011 0.000 0.822 149 A HN 0.733 nan 8.150 nan 0.000 0.447 150 Q N -0.733 119.087 119.800 0.033 0.000 2.079 150 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 150 Q C 2.155 178.181 176.000 0.043 0.000 0.974 150 Q CA 1.532 57.359 55.803 0.040 0.000 0.840 150 Q CB -0.315 28.452 28.738 0.048 0.000 0.898 150 Q HN 0.503 nan 8.270 nan 0.000 0.430 151 V N 0.961 120.906 119.914 0.052 0.000 2.407 151 V HA -0.264 3.857 4.120 0.001 0.000 0.248 151 V C 2.119 178.286 176.094 0.122 0.000 1.055 151 V CA 1.769 64.117 62.300 0.080 0.000 1.049 151 V CB -0.453 31.436 31.823 0.111 0.000 0.662 151 V HN 0.289 nan 8.190 nan 0.000 0.455 152 R N -0.002 120.596 120.500 0.164 0.000 2.092 152 R HA -0.041 4.299 4.340 0.001 0.000 0.231 152 R C 2.441 178.776 176.300 0.059 0.000 1.119 152 R CA 1.280 57.495 56.100 0.192 0.000 0.970 152 R CB -0.521 29.883 30.300 0.172 0.000 0.864 152 R HN 0.531 nan 8.270 nan 0.000 0.440 153 A N 1.374 124.216 122.820 0.038 0.000 1.902 153 A HA -0.127 4.194 4.320 0.001 0.000 0.217 153 A C 2.376 179.952 177.584 -0.014 0.000 1.181 153 A CA 1.709 53.752 52.037 0.011 0.000 0.623 153 A CB -0.660 18.350 19.000 0.017 0.000 0.818 153 A HN 0.384 nan 8.150 nan 0.000 0.443 154 A N -0.528 122.283 122.820 -0.014 0.000 1.902 154 A HA -0.002 4.318 4.320 0.001 0.000 0.217 154 A C 2.227 179.756 177.584 -0.091 0.000 1.181 154 A CA 1.768 53.785 52.037 -0.034 0.000 0.623 154 A CB -0.982 18.007 19.000 -0.018 0.000 0.818 154 A HN 0.395 nan 8.150 nan 0.000 0.443 155 V N -0.012 119.806 119.914 -0.159 0.000 2.252 155 V HA -0.321 3.800 4.120 0.001 0.000 0.249 155 V C 3.074 179.069 176.094 -0.164 0.000 1.056 155 V CA 2.144 64.283 62.300 -0.269 0.000 1.022 155 V CB -1.345 30.167 31.823 -0.519 0.000 0.641 155 V HN 0.630 nan 8.190 nan 0.000 0.445 156 A N -1.273 121.487 122.820 -0.099 0.000 1.940 156 A HA -0.299 4.021 4.320 0.001 0.000 0.219 156 A C 2.124 179.678 177.584 -0.051 0.000 1.176 156 A CA 2.115 54.115 52.037 -0.061 0.000 0.631 156 A CB -0.434 18.548 19.000 -0.029 0.000 0.814 156 A HN 0.651 nan 8.150 nan 0.000 0.446 157 Q N -2.083 117.688 119.800 -0.048 0.000 2.319 157 Q HA 0.291 4.631 4.340 0.001 0.000 0.202 157 Q C 0.870 176.845 176.000 -0.042 0.000 0.896 157 Q CA 0.318 56.101 55.803 -0.034 0.000 0.942 157 Q CB 0.310 29.036 28.738 -0.021 0.000 1.083 157 Q HN 0.861 nan 8.270 nan 0.000 0.510 158 G N 1.127 109.888 108.800 -0.064 0.000 2.246 158 G HA2 -0.235 3.726 3.960 0.001 0.000 0.273 158 G HA3 -0.235 3.726 3.960 0.001 0.000 0.273 158 G C -0.032 174.838 174.900 -0.050 0.000 1.055 158 G CA 0.440 45.499 45.100 -0.069 0.000 0.851 158 G HN 0.373 nan 8.290 nan 0.000 0.500 159 V N -4.724 115.165 119.914 -0.042 0.000 3.040 159 V HA 0.981 5.102 4.120 0.001 0.000 0.312 159 V C 1.249 177.346 176.094 0.006 0.000 1.115 159 V CA 0.179 62.472 62.300 -0.013 0.000 0.998 159 V CB 1.550 33.372 31.823 -0.002 0.000 1.042 159 V HN 2.116 nan 8.190 nan 0.000 0.433 160 G N 1.005 109.839 108.800 0.057 0.000 2.195 160 G HA2 0.087 4.048 3.960 0.001 0.000 0.246 160 G HA3 0.087 4.048 3.960 0.001 0.000 0.246 160 G C 1.120 176.119 174.900 0.165 0.000 0.984 160 G CA 0.784 45.963 45.100 0.131 0.000 0.633 160 G HN 2.757 nan 8.290 nan 0.000 0.525 161 A N -2.017 120.854 122.820 0.084 0.000 2.783 161 A HA 0.029 4.349 4.320 0.001 0.000 0.292 161 A C 1.080 178.674 177.584 0.017 0.000 1.495 161 A CA 1.418 53.503 52.037 0.080 0.000 0.787 161 A CB -2.095 17.044 19.000 0.232 0.000 1.017 161 A HN 1.932 nan 8.150 nan 0.000 0.516 162 V N 0.048 119.925 119.914 -0.062 0.000 2.673 162 V HA 0.214 4.335 4.120 0.001 0.000 0.303 162 V C 0.875 176.888 176.094 -0.135 0.000 1.046 162 V CA 0.817 63.056 62.300 -0.102 0.000 1.126 162 V CB 0.992 32.704 31.823 -0.184 0.000 0.934 162 V HN 0.641 nan 8.190 nan 0.000 0.487 163 E N 6.932 127.094 120.200 -0.063 0.000 2.229 163 E HA 0.272 4.622 4.350 0.001 0.000 0.283 163 E C -1.748 174.827 176.600 -0.042 0.000 1.030 163 E CA -1.917 54.449 56.400 -0.058 0.000 0.836 163 E CB 1.497 31.234 29.700 0.061 0.000 1.068 163 E HN 0.342 nan 8.360 nan 0.000 0.401 164 P HA -0.178 nan 4.420 nan 0.000 0.216 164 P C 0.914 178.357 177.300 0.237 0.000 1.153 164 P CA 1.021 64.058 63.100 -0.106 0.000 0.858 164 P CB -0.006 31.361 31.700 -0.555 0.000 0.789 165 F N 0.439 120.508 119.950 0.200 0.000 2.186 165 F HA -0.100 4.427 4.527 0.001 0.000 0.299 165 F C 2.130 178.012 175.800 0.136 0.000 1.090 165 F CA 1.470 59.657 58.000 0.313 0.000 1.307 165 F CB -0.643 38.550 39.000 0.322 0.000 1.019 165 F HN -0.144 nan 8.300 nan 0.000 0.489 166 A N -0.437 122.490 122.820 0.179 0.000 1.968 166 A HA -0.174 4.147 4.320 0.001 0.000 0.217 166 A C 2.000 179.568 177.584 -0.027 0.000 1.169 166 A CA 1.117 53.167 52.037 0.020 0.000 0.638 166 A CB -1.502 17.553 19.000 0.090 0.000 0.812 166 A HN 0.494 nan 8.150 nan 0.000 0.446 167 F N 0.660 120.540 119.950 -0.116 0.000 2.408 167 F HA -0.033 4.494 4.527 0.001 0.000 0.300 167 F C 1.635 177.325 175.800 -0.182 0.000 1.090 167 F CA 0.743 58.666 58.000 -0.128 0.000 1.427 167 F CB -0.211 38.721 39.000 -0.113 0.000 1.070 167 F HN 0.139 nan 8.300 nan 0.000 0.549 168 L N -1.146 119.905 121.223 -0.287 0.000 2.275 168 L HA -0.187 4.154 4.340 0.001 0.000 0.215 168 L C 2.256 178.881 176.870 -0.408 0.000 1.119 168 L CA 0.981 55.529 54.840 -0.486 0.000 0.790 168 L CB -0.803 40.749 42.059 -0.844 0.000 0.919 168 L HN -0.028 nan 8.230 nan 0.000 0.443 169 S N -1.145 114.402 115.700 -0.255 0.000 2.515 169 S HA -0.008 4.463 4.470 0.001 0.000 0.231 169 S C 0.672 175.135 174.600 -0.228 0.000 0.987 169 S CA 0.499 58.637 58.200 -0.103 0.000 0.936 169 S CB -0.155 63.034 63.200 -0.018 0.000 0.766 169 S HN 0.309 nan 8.310 nan 0.000 0.528 170 E N 1.989 121.934 120.200 -0.425 0.000 2.283 170 E HA 0.186 4.537 4.350 0.001 0.000 0.271 170 E C -0.681 175.664 176.600 -0.424 0.000 1.031 170 E CA -0.506 55.617 56.400 -0.460 0.000 0.868 170 E CB 0.339 29.601 29.700 -0.730 0.000 1.094 170 E HN 0.111 nan 8.360 nan 0.000 0.401 171 D N 1.433 121.649 120.400 -0.306 0.000 2.498 171 D HA 0.292 4.932 4.640 0.001 0.000 0.229 171 D C -0.499 175.661 176.300 -0.233 0.000 1.188 171 D CA 0.197 54.050 54.000 -0.246 0.000 1.028 171 D CB 0.096 40.803 40.800 -0.155 0.000 1.087 171 D HN 0.304 nan 8.370 nan 0.000 0.510 172 A N 1.399 124.045 122.820 -0.290 0.000 2.435 172 A HA 0.549 4.870 4.320 0.001 0.000 0.304 172 A C 0.410 177.892 177.584 -0.170 0.000 1.064 172 A CA -0.759 51.144 52.037 -0.223 0.000 0.727 172 A CB 1.449 20.242 19.000 -0.346 0.000 1.284 172 A HN 0.323 nan 8.150 nan 0.000 0.415 173 S N 0.924 116.545 115.700 -0.131 0.000 2.617 173 S HA 0.474 4.944 4.470 0.001 0.000 0.259 173 S C 1.344 175.807 174.600 -0.229 0.000 1.301 173 S CA 0.113 58.201 58.200 -0.186 0.000 0.984 173 S CB 0.944 64.014 63.200 -0.217 0.000 0.954 173 S HN 1.885 nan 8.310 nan 0.000 0.572 174 A N 0.981 123.588 122.820 -0.355 0.000 1.969 174 A HA 0.200 4.521 4.320 0.001 0.000 0.218 174 A C 2.372 179.686 177.584 -0.451 0.000 1.169 174 A CA 1.612 53.434 52.037 -0.358 0.000 0.635 174 A CB -1.671 17.146 19.000 -0.305 0.000 0.810 174 A HN 1.295 nan 8.150 nan 0.000 0.445 175 A N 0.165 122.534 122.820 -0.751 0.000 1.877 175 A HA -0.205 4.116 4.320 0.001 0.000 0.216 175 A C 1.894 179.399 177.584 -0.130 0.000 1.186 175 A CA 1.684 53.496 52.037 -0.375 0.000 0.620 175 A CB -0.607 18.216 19.000 -0.294 0.000 0.822 175 A HN 0.630 nan 8.150 nan 0.000 0.443 176 E N -0.351 119.790 120.200 -0.097 0.000 2.085 176 E HA -0.259 4.092 4.350 0.001 0.000 0.194 176 E C 2.278 178.912 176.600 0.058 0.000 0.994 176 E CA 1.519 57.933 56.400 0.023 0.000 0.801 176 E CB -0.239 29.557 29.700 0.160 0.000 0.743 176 E HN 0.746 nan 8.360 nan 0.000 0.453 177 Q N 0.215 120.066 119.800 0.085 0.000 2.119 177 Q HA -0.144 4.197 4.340 0.001 0.000 0.201 177 Q C 2.321 178.299 176.000 -0.037 0.000 0.972 177 Q CA 0.736 56.601 55.803 0.104 0.000 0.847 177 Q CB -0.106 28.665 28.738 0.055 0.000 0.903 177 Q HN 0.193 nan 8.270 nan 0.000 0.433 178 L N 0.739 121.924 121.223 -0.064 0.000 2.083 178 L HA -0.110 4.231 4.340 0.001 0.000 0.209 178 L C 2.126 178.942 176.870 -0.090 0.000 1.083 178 L CA 2.011 56.810 54.840 -0.069 0.000 0.752 178 L CB -0.752 41.307 42.059 -0.000 0.000 0.899 178 L HN 0.101 nan 8.230 nan 0.000 0.433 179 A N -1.184 121.578 122.820 -0.097 0.000 1.877 179 A HA -0.271 4.050 4.320 0.001 0.000 0.216 179 A C 2.553 180.017 177.584 -0.199 0.000 1.186 179 A CA 1.706 53.668 52.037 -0.124 0.000 0.620 179 A CB -1.621 17.308 19.000 -0.118 0.000 0.822 179 A HN 0.682 nan 8.150 nan 0.000 0.443 180 C N -0.669 118.458 119.300 -0.289 0.000 2.432 180 C HA 0.081 4.542 4.460 0.001 0.000 0.277 180 C C 3.162 177.941 174.990 -0.352 0.000 1.249 180 C CA 1.369 60.140 59.018 -0.412 0.000 1.725 180 C CB -1.354 25.982 27.740 -0.673 0.000 2.028 180 C HN 0.678 nan 8.230 nan 0.000 0.477 181 A N 1.723 124.366 122.820 -0.296 0.000 1.865 181 A HA -0.194 4.127 4.320 0.001 0.000 0.217 181 A C 2.164 179.609 177.584 -0.232 0.000 1.191 181 A CA 2.311 54.142 52.037 -0.343 0.000 0.623 181 A CB -0.730 18.168 19.000 -0.169 0.000 0.826 181 A HN 0.823 nan 8.150 nan 0.000 0.444 182 R N -0.725 119.684 120.500 -0.152 0.000 2.189 182 R HA 0.023 4.363 4.340 0.001 0.000 0.218 182 R C 1.599 177.842 176.300 -0.095 0.000 1.074 182 R CA 1.977 58.013 56.100 -0.108 0.000 0.991 182 R CB -1.649 28.598 30.300 -0.088 0.000 0.883 182 R HN 0.294 nan 8.270 nan 0.000 0.457 183 T N 0.588 115.065 114.554 -0.128 0.000 2.737 183 T HA -0.098 4.253 4.350 0.001 0.000 0.265 183 T C 1.683 176.329 174.700 -0.090 0.000 1.038 183 T CA 1.648 63.686 62.100 -0.104 0.000 1.144 183 T CB -0.247 68.542 68.868 -0.131 0.000 0.866 183 T HN 0.270 nan 8.240 nan 0.000 0.434 184 R N 1.581 121.973 120.500 -0.180 0.000 2.080 184 R HA 0.011 4.351 4.340 0.001 0.000 0.236 184 R C 2.485 178.831 176.300 0.076 0.000 1.137 184 R CA 1.776 57.760 56.100 -0.194 0.000 0.943 184 R CB -0.914 28.989 30.300 -0.661 0.000 0.846 184 R HN 0.331 nan 8.270 nan 0.000 0.431 185 A N 0.145 123.063 122.820 0.164 0.000 1.940 185 A HA -0.226 4.095 4.320 0.001 0.000 0.219 185 A C 2.086 179.833 177.584 0.272 0.000 1.176 185 A CA 1.759 54.012 52.037 0.361 0.000 0.631 185 A CB -0.533 18.459 19.000 -0.013 0.000 0.814 185 A HN 0.566 nan 8.150 nan 0.000 0.446 186 Q N -0.980 118.891 119.800 0.118 0.000 2.230 186 Q HA 0.047 4.388 4.340 0.001 0.000 0.202 186 Q C 2.309 178.383 176.000 0.123 0.000 0.963 186 Q CA 0.956 56.823 55.803 0.106 0.000 0.866 186 Q CB -0.273 28.486 28.738 0.037 0.000 0.931 186 Q HN 0.704 nan 8.270 nan 0.000 0.452 187 A N 0.622 123.511 122.820 0.115 0.000 1.897 187 A HA -0.117 4.204 4.320 0.001 0.000 0.215 187 A C 1.964 179.625 177.584 0.129 0.000 1.181 187 A CA 0.852 52.946 52.037 0.095 0.000 0.620 187 A CB -0.383 18.657 19.000 0.066 0.000 0.821 187 A HN 0.268 nan 8.150 nan 0.000 0.443 188 I N -0.122 120.575 120.570 0.212 0.000 2.202 188 I HA -0.256 3.914 4.170 0.001 0.000 0.242 188 I C 2.961 179.169 176.117 0.151 0.000 1.091 188 I CA 1.046 62.462 61.300 0.194 0.000 1.368 188 I CB -0.289 37.896 38.000 0.308 0.000 1.058 188 I HN 0.334 nan 8.210 nan 0.000 0.410 189 A N 0.703 123.700 122.820 0.294 0.000 1.940 189 A HA -0.202 4.119 4.320 0.001 0.000 0.219 189 A C 2.454 180.105 177.584 0.112 0.000 1.176 189 A CA 1.895 54.076 52.037 0.240 0.000 0.631 189 A CB -0.850 18.363 19.000 0.356 0.000 0.814 189 A HN 0.450 nan 8.150 nan 0.000 0.446 190 A N -0.086 122.792 122.820 0.097 0.000 2.121 190 A HA 0.056 4.377 4.320 0.001 0.000 0.218 190 A C 2.077 179.681 177.584 0.034 0.000 1.154 190 A CA 1.751 53.822 52.037 0.057 0.000 0.679 190 A CB -0.581 18.449 19.000 0.049 0.000 0.795 190 A HN 1.053 nan 8.150 nan 0.000 0.458 191 S N -1.663 114.054 115.700 0.028 0.000 2.575 191 S HA 0.481 4.951 4.470 0.001 0.000 0.237 191 S C -0.113 174.477 174.600 -0.017 0.000 0.975 191 S CA -0.244 57.960 58.200 0.007 0.000 0.960 191 S CB 0.024 63.229 63.200 0.009 0.000 0.822 191 S HN 0.109 nan 8.310 nan 0.000 0.472 192 V N 1.392 121.292 119.914 -0.023 0.000 2.733 192 V HA 0.492 4.613 4.120 0.001 0.000 0.306 192 V C -0.853 175.217 176.094 -0.040 0.000 1.084 192 V CA -0.794 61.472 62.300 -0.056 0.000 0.905 192 V CB 2.173 33.923 31.823 -0.122 0.000 1.010 192 V HN 0.338 nan 8.190 nan 0.000 0.424 193 R N 5.002 125.477 120.500 -0.042 0.000 2.215 193 R HA 0.473 4.814 4.340 0.001 0.000 0.337 193 R C -2.501 173.770 176.300 -0.047 0.000 1.010 193 R CA -1.587 54.494 56.100 -0.031 0.000 0.871 193 R CB 1.507 31.794 30.300 -0.023 0.000 1.134 193 R HN 0.462 nan 8.270 nan 0.000 0.477 194 P HA -0.064 nan 4.420 nan 0.000 0.268 194 P C -0.217 177.053 177.300 -0.050 0.000 1.208 194 P CA 0.007 63.074 63.100 -0.056 0.000 0.777 194 P CB 0.593 32.276 31.700 -0.027 0.000 0.875 195 L N 1.045 122.230 121.223 -0.064 0.000 2.467 195 L HA 0.189 4.530 4.340 0.001 0.000 0.270 195 L C 1.020 177.867 176.870 -0.039 0.000 1.205 195 L CA -0.699 54.108 54.840 -0.054 0.000 0.828 195 L CB -0.072 41.945 42.059 -0.070 0.000 1.101 195 L HN 0.448 nan 8.230 nan 0.000 0.479 196 A N 4.084 126.886 122.820 -0.031 0.000 2.584 196 A HA 0.191 4.512 4.320 0.001 0.000 0.239 196 A C -1.985 175.585 177.584 -0.024 0.000 1.043 196 A CA -0.806 51.218 52.037 -0.022 0.000 0.756 196 A CB -0.887 18.103 19.000 -0.018 0.000 0.963 196 A HN 0.481 nan 8.150 nan 0.000 0.511 197 P HA 0.254 nan 4.420 nan 0.000 0.269 197 P C 0.194 177.485 177.300 -0.015 0.000 1.209 197 P CA 0.196 63.288 63.100 -0.014 0.000 0.776 197 P CB 0.824 32.522 31.700 -0.002 0.000 0.876 198 T N 0.096 114.639 114.554 -0.019 0.000 2.724 198 T HA 0.695 5.046 4.350 0.001 0.000 0.274 198 T C -0.063 174.634 174.700 -0.004 0.000 0.984 198 T CA -0.953 61.139 62.100 -0.014 0.000 1.024 198 T CB 1.689 70.542 68.868 -0.026 0.000 1.320 198 T HN 0.332 nan 8.240 nan 0.000 0.555 199 R N -0.524 119.979 120.500 0.005 0.000 2.919 199 R HA 0.718 5.059 4.340 0.001 0.000 0.260 199 R C -0.881 175.430 176.300 0.019 0.000 1.067 199 R CA -1.023 55.092 56.100 0.024 0.000 1.003 199 R CB 2.065 32.391 30.300 0.043 0.000 1.192 199 R HN 0.466 nan 8.270 nan 0.000 0.488 200 V N 3.023 122.960 119.914 0.037 0.000 2.715 200 V HA 0.047 4.167 4.120 0.001 0.000 0.299 200 V C 0.741 176.886 176.094 0.086 0.000 1.054 200 V CA -0.098 62.220 62.300 0.030 0.000 1.077 200 V CB 0.504 32.357 31.823 0.049 0.000 0.972 200 V HN 0.705 nan 8.190 nan 0.000 0.484 201 R N 3.391 123.941 120.500 0.084 0.000 2.698 201 R HA 0.096 4.437 4.340 0.001 0.000 0.266 201 R C 0.753 177.231 176.300 0.296 0.000 1.026 201 R CA 0.205 56.396 56.100 0.151 0.000 1.102 201 R CB 0.106 30.491 30.300 0.143 0.000 0.978 201 R HN 0.601 nan 8.270 nan 0.000 0.436 202 S N 0.581 116.406 115.700 0.208 0.000 2.436 202 S HA 0.045 4.515 4.470 0.001 0.000 0.228 202 S C 0.221 174.881 174.600 0.100 0.000 1.014 202 S CA 0.806 59.104 58.200 0.163 0.000 0.950 202 S CB 0.104 63.344 63.200 0.067 0.000 0.784 202 S HN 0.463 nan 8.310 nan 0.000 0.504 203 K N -0.074 120.421 120.400 0.158 0.000 2.527 203 K HA 0.561 4.882 4.320 0.001 0.000 0.260 203 K C -0.116 176.622 176.600 0.229 0.000 0.937 203 K CA 0.136 56.465 56.287 0.072 0.000 0.826 203 K CB 1.934 34.440 32.500 0.009 0.000 1.359 203 K HN 0.295 nan 8.250 nan 0.000 0.434 204 G N 2.293 111.233 108.800 0.234 0.000 2.661 204 G HA2 -0.138 3.822 3.960 0.001 0.000 0.685 204 G HA3 -0.138 3.822 3.960 0.001 0.000 0.685 204 G C -3.040 172.121 174.900 0.436 0.000 1.298 204 G CA -1.192 44.066 45.100 0.262 0.000 0.855 204 G HN 0.311 nan 8.290 nan 0.000 0.560 205 P HA 0.364 nan 4.420 nan 0.000 0.266 205 P C 0.169 177.533 177.300 0.107 0.000 1.195 205 P CA -0.328 62.909 63.100 0.228 0.000 0.768 205 P CB 0.575 32.365 31.700 0.150 0.000 0.838 206 L N 4.617 125.799 121.223 -0.069 0.000 2.380 206 L HA 0.189 4.530 4.340 0.001 0.000 0.273 206 L C 0.799 177.636 176.870 -0.056 0.000 1.138 206 L CA 0.411 55.098 54.840 -0.255 0.000 0.832 206 L CB 0.100 41.842 42.059 -0.530 0.000 1.124 206 L HN 0.255 nan 8.230 nan 0.000 0.454 207 R N 4.120 124.596 120.500 -0.039 0.000 2.229 207 R HA 0.551 4.892 4.340 0.001 0.000 0.332 207 R C -1.359 174.982 176.300 0.067 0.000 0.989 207 R CA -0.722 55.415 56.100 0.062 0.000 0.842 207 R CB 1.291 31.581 30.300 -0.016 0.000 1.119 207 R HN 0.333 nan 8.270 nan 0.000 0.456 208 V N 2.206 122.241 119.914 0.202 0.000 2.444 208 V HA 0.559 4.680 4.120 0.001 0.000 0.294 208 V C 0.422 176.695 176.094 0.298 0.000 1.022 208 V CA -0.805 61.614 62.300 0.197 0.000 0.850 208 V CB 1.826 33.807 31.823 0.263 0.000 0.992 208 V HN 0.946 nan 8.190 nan 0.000 0.426 209 G N 3.080 111.989 108.800 0.182 0.000 2.453 209 G HA2 0.792 4.752 3.960 0.001 0.000 0.323 209 G HA3 0.792 4.752 3.960 0.001 0.000 0.323 209 G C -1.494 173.516 174.900 0.184 0.000 1.198 209 G CA -0.494 44.854 45.100 0.414 0.000 0.959 209 G HN 0.432 nan 8.290 nan 0.000 0.482 210 F N 0.680 121.019 119.950 0.648 0.000 2.536 210 F HA 0.425 4.953 4.527 0.001 0.000 0.322 210 F C -0.017 176.238 175.800 0.757 0.000 1.144 210 F CA -0.932 57.498 58.000 0.716 0.000 0.924 210 F CB 2.652 42.077 39.000 0.708 0.000 1.181 210 F HN 0.219 nan 8.300 nan 0.000 0.438 211 V N 2.454 122.844 119.914 0.794 0.000 2.439 211 V HA 0.729 4.850 4.120 0.001 0.000 0.282 211 V C -0.232 176.114 176.094 0.420 0.000 1.039 211 V CA -0.261 62.419 62.300 0.633 0.000 0.913 211 V CB 1.532 33.685 31.823 0.551 0.000 0.983 211 V HN 0.798 nan 8.190 nan 0.000 0.460 212 S N 2.640 118.466 115.700 0.211 0.000 2.558 212 S HA 0.297 4.767 4.470 0.001 0.000 0.277 212 S C 0.183 174.641 174.600 -0.236 0.000 1.143 212 S CA -0.290 57.780 58.200 -0.217 0.000 0.865 212 S CB 1.324 64.009 63.200 -0.858 0.000 1.102 212 S HN 0.966 nan 8.310 nan 0.000 0.454 213 N N 1.575 120.154 118.700 -0.202 0.000 2.336 213 N HA 0.222 4.963 4.740 0.001 0.000 0.189 213 N C 0.890 176.240 175.510 -0.266 0.000 1.113 213 N CA 0.131 53.084 53.050 -0.162 0.000 0.858 213 N CB 0.340 38.750 38.487 -0.128 0.000 0.970 213 N HN 0.492 nan 8.380 nan 0.000 0.471 214 G N -0.302 108.279 108.800 -0.365 0.000 3.936 214 G HA2 0.194 4.155 3.960 0.001 0.000 0.296 214 G HA3 0.194 4.155 3.960 0.001 0.000 0.296 214 G C -0.815 174.052 174.900 -0.054 0.000 1.121 214 G CA -0.494 44.464 45.100 -0.237 0.000 0.899 214 G HN 0.150 nan 8.290 nan 0.000 0.542 215 F N 2.139 122.154 119.950 0.107 0.000 2.619 215 F HA 0.549 5.077 4.527 0.001 0.000 0.350 215 F C 1.119 176.979 175.800 0.100 0.000 1.259 215 F CA -0.276 57.773 58.000 0.082 0.000 1.204 215 F CB 0.539 39.561 39.000 0.037 0.000 1.556 215 F HN 0.270 nan 8.300 nan 0.000 0.650 216 G N 0.617 109.578 108.800 0.269 0.000 2.392 216 G HA2 0.410 4.371 3.960 0.001 0.000 0.260 216 G HA3 0.410 4.371 3.960 0.001 0.000 0.260 216 G C -1.063 173.840 174.900 0.005 0.000 1.226 216 G CA -0.295 44.894 45.100 0.148 0.000 0.913 216 G HN 0.382 nan 8.290 nan 0.000 0.483 217 A N 1.129 123.836 122.820 -0.189 0.000 3.076 217 A HA 0.558 4.879 4.320 0.001 0.000 0.269 217 A C 0.205 177.393 177.584 -0.659 0.000 1.916 217 A CA 0.431 52.264 52.037 -0.340 0.000 1.492 217 A CB -1.362 17.462 19.000 -0.294 0.000 1.000 217 A HN 0.631 nan 8.150 nan 0.000 0.615 218 H N -0.771 118.272 119.070 -0.045 0.000 3.008 218 H HA 0.212 4.769 4.556 0.001 0.000 0.354 218 H C -2.263 173.031 175.328 -0.058 0.000 1.252 218 H CA -1.672 54.349 56.048 -0.044 0.000 1.117 218 H CB 0.972 30.715 29.762 -0.032 0.000 1.857 218 H HN 0.034 nan 8.280 nan 0.000 0.547 219 P HA -0.172 nan 4.420 nan 0.000 0.216 219 P C 1.273 178.580 177.300 0.012 0.000 1.157 219 P CA 2.169 65.294 63.100 0.041 0.000 0.880 219 P CB 0.045 31.797 31.700 0.087 0.000 0.791 220 T N -1.190 113.377 114.554 0.021 0.000 2.674 220 T HA -0.102 4.249 4.350 0.001 0.000 0.265 220 T C 2.028 176.753 174.700 0.041 0.000 1.039 220 T CA 1.825 63.918 62.100 -0.013 0.000 1.150 220 T CB -1.368 67.451 68.868 -0.082 0.000 0.864 220 T HN 0.200 nan 8.240 nan 0.000 0.427 221 G N 1.241 110.098 108.800 0.095 0.000 2.422 221 G HA2 -0.140 3.821 3.960 0.001 0.000 0.218 221 G HA3 -0.140 3.821 3.960 0.001 0.000 0.218 221 G C 1.530 176.455 174.900 0.042 0.000 1.146 221 G CA 0.632 45.834 45.100 0.170 0.000 0.769 221 G HN 0.395 nan 8.290 nan 0.000 0.547 222 L N 0.156 121.357 121.223 -0.037 0.000 2.083 222 L HA 0.125 4.465 4.340 0.001 0.000 0.209 222 L C 2.572 179.360 176.870 -0.137 0.000 1.083 222 L CA 1.354 56.118 54.840 -0.127 0.000 0.752 222 L CB -0.172 41.767 42.059 -0.200 0.000 0.899 222 L HN 0.198 nan 8.230 nan 0.000 0.433 223 L N -1.604 119.541 121.223 -0.130 0.000 2.249 223 L HA -0.032 4.309 4.340 0.001 0.000 0.207 223 L C 2.135 178.840 176.870 -0.275 0.000 1.090 223 L CA 1.217 55.935 54.840 -0.203 0.000 0.802 223 L CB -0.624 41.309 42.059 -0.211 0.000 0.947 223 L HN 0.425 nan 8.230 nan 0.000 0.453 224 T N -4.624 109.808 114.554 -0.203 0.000 3.065 224 T HA -0.017 4.334 4.350 0.001 0.000 0.252 224 T C 1.708 176.266 174.700 -0.237 0.000 1.099 224 T CA 0.422 62.331 62.100 -0.317 0.000 1.063 224 T CB 0.040 68.796 68.868 -0.186 0.000 0.948 224 T HN 0.048 nan 8.240 nan 0.000 0.506 225 V N 1.949 121.825 119.914 -0.063 0.000 2.295 225 V HA -0.004 4.117 4.120 0.001 0.000 0.246 225 V C 2.882 178.942 176.094 -0.058 0.000 1.049 225 V CA 2.102 64.416 62.300 0.024 0.000 1.024 225 V CB -1.132 30.688 31.823 -0.006 0.000 0.648 225 V HN 0.625 nan 8.190 nan 0.000 0.447 226 A N -0.531 122.199 122.820 -0.150 0.000 1.968 226 A HA -0.091 4.230 4.320 0.001 0.000 0.217 226 A C 2.069 179.540 177.584 -0.189 0.000 1.169 226 A CA 1.768 53.713 52.037 -0.153 0.000 0.638 226 A CB -0.600 18.289 19.000 -0.185 0.000 0.812 226 A HN 0.596 nan 8.150 nan 0.000 0.446 227 L N -1.275 119.754 121.223 -0.322 0.000 1.994 227 L HA -0.057 4.284 4.340 0.001 0.000 0.208 227 L C 2.102 178.772 176.870 -0.333 0.000 1.071 227 L CA 2.047 56.635 54.840 -0.419 0.000 0.745 227 L CB -0.865 40.776 42.059 -0.697 0.000 0.892 227 L HN 0.318 nan 8.230 nan 0.000 0.431 228 F N 0.501 120.325 119.950 -0.210 0.000 2.216 228 F HA -0.163 4.365 4.527 0.001 0.000 0.300 228 F C 2.496 178.217 175.800 -0.131 0.000 1.085 228 F CA 1.560 59.445 58.000 -0.192 0.000 1.326 228 F CB -0.747 38.106 39.000 -0.245 0.000 1.027 228 F HN 0.238 nan 8.300 nan 0.000 0.497 229 E N -0.076 120.150 120.200 0.044 0.000 2.077 229 E HA -0.199 4.151 4.350 0.001 0.000 0.193 229 E C 2.431 179.030 176.600 -0.001 0.000 0.989 229 E CA 1.082 57.486 56.400 0.006 0.000 0.800 229 E CB -0.319 29.369 29.700 -0.020 0.000 0.746 229 E HN 0.358 nan 8.360 nan 0.000 0.452 230 A N 0.862 123.669 122.820 -0.020 0.000 1.930 230 A HA -0.130 4.190 4.320 0.001 0.000 0.217 230 A C 2.145 179.745 177.584 0.027 0.000 1.175 230 A CA 0.894 52.930 52.037 -0.002 0.000 0.627 230 A CB -0.515 18.478 19.000 -0.011 0.000 0.815 230 A HN 0.136 nan 8.150 nan 0.000 0.443 231 L N -0.841 120.403 121.223 0.035 0.000 2.083 231 L HA -0.234 4.106 4.340 0.001 0.000 0.209 231 L C 2.886 179.802 176.870 0.077 0.000 1.083 231 L CA 1.746 56.635 54.840 0.082 0.000 0.752 231 L CB -0.439 41.694 42.059 0.123 0.000 0.899 231 L HN 0.588 nan 8.230 nan 0.000 0.433 232 Q N 0.247 120.082 119.800 0.058 0.000 2.124 232 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 232 Q C 2.303 178.320 176.000 0.028 0.000 0.977 232 Q CA 1.444 57.268 55.803 0.035 0.000 0.850 232 Q CB 0.144 28.889 28.738 0.011 0.000 0.901 232 Q HN 0.452 nan 8.270 nan 0.000 0.429 233 R N -0.683 119.832 120.500 0.026 0.000 2.093 233 R HA 0.023 4.364 4.340 0.001 0.000 0.224 233 R C 2.080 178.400 176.300 0.033 0.000 1.101 233 R CA 1.088 57.201 56.100 0.023 0.000 0.979 233 R CB 0.145 30.454 30.300 0.016 0.000 0.877 233 R HN 0.163 nan 8.270 nan 0.000 0.441 234 R N -0.506 120.020 120.500 0.044 0.000 2.307 234 R HA 0.142 4.483 4.340 0.001 0.000 0.200 234 R C 0.245 176.583 176.300 0.064 0.000 0.893 234 R CA 0.232 56.363 56.100 0.051 0.000 1.042 234 R CB 0.696 31.029 30.300 0.055 0.000 1.059 234 R HN 0.008 nan 8.270 nan 0.000 0.530 235 Q N 0.980 120.824 119.800 0.074 0.000 2.965 235 Q HA 0.192 4.532 4.340 0.001 0.000 0.288 235 Q C -2.100 173.949 176.000 0.083 0.000 0.974 235 Q CA -1.541 54.314 55.803 0.087 0.000 0.849 235 Q CB 1.703 30.506 28.738 0.109 0.000 1.280 235 Q HN 0.081 nan 8.270 nan 0.000 0.441 236 P HA -0.139 nan 4.420 nan 0.000 0.219 236 P C 0.256 177.605 177.300 0.081 0.000 1.146 236 P CA 1.091 64.230 63.100 0.066 0.000 0.808 236 P CB 0.503 32.237 31.700 0.057 0.000 0.779 237 D N -0.417 120.043 120.400 0.101 0.000 2.363 237 D HA 0.080 4.721 4.640 0.001 0.000 0.226 237 D C 0.721 177.086 176.300 0.109 0.000 1.020 237 D CA 0.507 54.585 54.000 0.131 0.000 0.892 237 D CB 0.016 40.926 40.800 0.184 0.000 0.900 237 D HN 0.292 nan 8.370 nan 0.000 0.531 238 L N 0.893 122.171 121.223 0.092 0.000 2.325 238 L HA 0.358 4.699 4.340 0.001 0.000 0.281 238 L C 0.122 177.058 176.870 0.109 0.000 1.004 238 L CA -0.594 54.296 54.840 0.083 0.000 0.823 238 L CB 2.112 44.228 42.059 0.096 0.000 1.236 238 L HN -0.333 nan 8.230 nan 0.000 0.415 239 Q N 3.881 123.756 119.800 0.124 0.000 2.360 239 Q HA 0.428 4.769 4.340 0.001 0.000 0.254 239 Q C -0.888 175.230 176.000 0.198 0.000 0.975 239 Q CA -0.623 55.255 55.803 0.124 0.000 0.912 239 Q CB 1.231 30.080 28.738 0.185 0.000 1.212 239 Q HN 0.494 nan 8.270 nan 0.000 0.452 240 M N 3.420 123.076 119.600 0.094 0.000 2.188 240 M HA 0.333 4.814 4.480 0.001 0.000 0.357 240 M C -0.611 175.643 176.300 -0.076 0.000 1.204 240 M CA -0.107 55.300 55.300 0.179 0.000 1.095 240 M CB 0.994 33.682 32.600 0.147 0.000 1.604 240 M HN 0.512 nan 8.290 nan 0.000 0.464 241 H N 3.291 122.426 119.070 0.109 0.000 2.658 241 H HA 0.436 4.993 4.556 0.001 0.000 0.337 241 H C -1.191 174.065 175.328 -0.120 0.000 1.009 241 H CA -0.823 55.179 56.048 -0.078 0.000 1.231 241 H CB 2.189 31.915 29.762 -0.060 0.000 1.508 241 H HN 0.389 nan 8.280 nan 0.000 0.517 242 L N 3.713 124.764 121.223 -0.287 0.000 2.289 242 L HA 0.263 4.603 4.340 0.001 0.000 0.285 242 L C -0.481 176.242 176.870 -0.245 0.000 1.049 242 L CA -0.187 54.462 54.840 -0.320 0.000 0.804 242 L CB 0.300 41.834 42.059 -0.875 0.000 1.195 242 L HN 0.443 nan 8.230 nan 0.000 0.428 243 F N 2.959 123.123 119.950 0.356 0.000 2.308 243 F HA 0.597 5.124 4.527 0.001 0.000 0.370 243 F C 0.573 176.636 175.800 0.439 0.000 1.100 243 F CA -0.640 57.563 58.000 0.338 0.000 1.108 243 F CB 0.975 40.116 39.000 0.236 0.000 1.293 243 F HN 0.511 nan 8.300 nan 0.000 0.478 244 A N 1.590 124.691 122.820 0.468 0.000 2.289 244 A HA 0.488 4.808 4.320 0.001 0.000 0.298 244 A C 0.897 178.657 177.584 0.293 0.000 1.208 244 A CA -0.337 51.991 52.037 0.485 0.000 0.845 244 A CB 0.182 19.411 19.000 0.381 0.000 1.125 244 A HN 0.785 nan 8.150 nan 0.000 0.517 245 T N -0.803 113.880 114.554 0.214 0.000 3.163 245 T HA 0.318 4.668 4.350 0.001 0.000 0.252 245 T C 0.510 175.257 174.700 0.077 0.000 1.056 245 T CA 0.400 62.578 62.100 0.129 0.000 0.947 245 T CB -0.724 68.205 68.868 0.101 0.000 1.016 245 T HN 1.016 nan 8.240 nan 0.000 0.554 246 S N -0.407 115.348 115.700 0.092 0.000 2.570 246 S HA 0.801 5.271 4.470 0.001 0.000 0.286 246 S C 0.378 175.031 174.600 0.088 0.000 1.099 246 S CA -0.736 57.504 58.200 0.066 0.000 0.913 246 S CB 1.463 64.689 63.200 0.043 0.000 1.085 246 S HN 0.382 nan 8.310 nan 0.000 0.480 247 G N 0.273 109.113 108.800 0.066 0.000 2.611 247 G HA2 0.334 4.294 3.960 0.001 0.000 0.273 247 G HA3 0.334 4.294 3.960 0.001 0.000 0.273 247 G C -0.597 174.343 174.900 0.066 0.000 1.305 247 G CA -0.371 44.764 45.100 0.058 0.000 1.010 247 G HN 0.792 nan 8.290 nan 0.000 0.509 248 D N -0.562 119.866 120.400 0.046 0.000 2.351 248 D HA 0.095 4.736 4.640 0.001 0.000 0.251 248 D C 0.495 176.820 176.300 0.041 0.000 1.137 248 D CA -0.471 53.554 54.000 0.041 0.000 0.879 248 D CB 1.307 42.119 40.800 0.020 0.000 1.181 248 D HN 0.325 nan 8.370 nan 0.000 0.448 249 D N 2.191 122.619 120.400 0.047 0.000 2.363 249 D HA 0.151 4.791 4.640 0.001 0.000 0.214 249 D C 1.357 177.666 176.300 0.015 0.000 1.093 249 D CA 0.310 54.332 54.000 0.037 0.000 0.837 249 D CB -0.014 40.815 40.800 0.048 0.000 0.948 249 D HN 0.598 nan 8.370 nan 0.000 0.507 250 G N 0.508 109.315 108.800 0.012 0.000 2.176 250 G HA2 -0.289 3.672 3.960 0.001 0.000 0.253 250 G HA3 -0.289 3.672 3.960 0.001 0.000 0.253 250 G C 0.395 175.295 174.900 -0.001 0.000 0.979 250 G CA 0.437 45.540 45.100 0.004 0.000 0.641 250 G HN 0.838 nan 8.290 nan 0.000 0.530 251 S N 0.067 115.765 115.700 -0.003 0.000 2.584 251 S HA 0.532 5.003 4.470 0.001 0.000 0.273 251 S C 1.726 176.323 174.600 -0.005 0.000 1.311 251 S CA 0.864 59.059 58.200 -0.009 0.000 1.034 251 S CB 1.462 64.647 63.200 -0.026 0.000 0.939 251 S HN 1.263 nan 8.310 nan 0.000 0.513 252 T N 1.039 115.591 114.554 -0.003 0.000 2.803 252 T HA -0.122 4.229 4.350 0.001 0.000 0.269 252 T C 1.673 176.367 174.700 -0.010 0.000 1.052 252 T CA 1.162 63.260 62.100 -0.005 0.000 1.136 252 T CB -0.777 68.092 68.868 0.002 0.000 0.864 252 T HN 0.543 nan 8.240 nan 0.000 0.467 253 L N 0.429 121.646 121.223 -0.010 0.000 1.994 253 L HA -0.050 4.290 4.340 0.001 0.000 0.208 253 L C 3.146 180.018 176.870 0.004 0.000 1.071 253 L CA 1.592 56.427 54.840 -0.008 0.000 0.745 253 L CB -0.468 41.582 42.059 -0.016 0.000 0.892 253 L HN 0.217 nan 8.230 nan 0.000 0.431 254 R N -0.104 120.404 120.500 0.014 0.000 2.091 254 R HA -0.153 4.188 4.340 0.001 0.000 0.238 254 R C 2.131 178.416 176.300 -0.025 0.000 1.136 254 R CA 2.315 58.426 56.100 0.019 0.000 0.959 254 R CB -0.957 29.363 30.300 0.035 0.000 0.856 254 R HN 0.211 nan 8.270 nan 0.000 0.437 255 T N 0.314 114.852 114.554 -0.026 0.000 2.737 255 T HA -0.024 4.326 4.350 0.001 0.000 0.265 255 T C 1.770 176.436 174.700 -0.057 0.000 1.038 255 T CA 1.453 63.528 62.100 -0.042 0.000 1.144 255 T CB -0.155 68.696 68.868 -0.029 0.000 0.866 255 T HN 0.305 nan 8.240 nan 0.000 0.434 256 R N 0.424 120.897 120.500 -0.046 0.000 2.083 256 R HA -0.048 4.292 4.340 0.001 0.000 0.237 256 R C 2.267 178.517 176.300 -0.083 0.000 1.137 256 R CA 1.061 57.130 56.100 -0.051 0.000 0.951 256 R CB -0.475 29.805 30.300 -0.034 0.000 0.851 256 R HN 0.214 nan 8.270 nan 0.000 0.434 257 L N 0.212 121.376 121.223 -0.098 0.000 2.083 257 L HA -0.101 4.239 4.340 0.001 0.000 0.209 257 L C 2.356 179.067 176.870 -0.266 0.000 1.083 257 L CA 1.822 56.548 54.840 -0.191 0.000 0.752 257 L CB -1.293 40.644 42.059 -0.203 0.000 0.899 257 L HN 0.212 nan 8.230 nan 0.000 0.433 258 A N -1.577 121.124 122.820 -0.198 0.000 1.968 258 A HA -0.182 4.138 4.320 0.001 0.000 0.217 258 A C 2.195 179.668 177.584 -0.185 0.000 1.169 258 A CA 0.929 52.841 52.037 -0.208 0.000 0.638 258 A CB -0.277 18.635 19.000 -0.146 0.000 0.812 258 A HN 0.363 nan 8.150 nan 0.000 0.446 259 Q N -0.638 119.078 119.800 -0.139 0.000 2.297 259 Q HA 0.182 4.522 4.340 0.001 0.000 0.204 259 Q C 1.612 177.540 176.000 -0.120 0.000 0.962 259 Q CA 1.269 57.004 55.803 -0.112 0.000 0.879 259 Q CB -0.282 28.409 28.738 -0.078 0.000 0.947 259 Q HN 0.583 nan 8.270 nan 0.000 0.462 260 A N -1.037 121.696 122.820 -0.146 0.000 2.387 260 A HA 0.441 4.762 4.320 0.001 0.000 0.234 260 A C 0.288 177.757 177.584 -0.192 0.000 1.253 260 A CA 0.444 52.405 52.037 -0.125 0.000 0.894 260 A CB 0.164 19.120 19.000 -0.073 0.000 0.963 260 A HN 0.277 nan 8.150 nan 0.000 0.508 261 S N -2.279 113.259 115.700 -0.270 0.000 2.727 261 S HA 0.497 4.967 4.470 0.001 0.000 0.278 261 S C -0.653 173.726 174.600 -0.368 0.000 1.186 261 S CA -0.454 57.538 58.200 -0.346 0.000 0.836 261 S CB 0.736 63.625 63.200 -0.520 0.000 1.186 261 S HN -0.005 nan 8.310 nan 0.000 0.499 262 T N 1.948 116.221 114.554 -0.468 0.000 2.727 262 T HA 0.453 4.804 4.350 0.001 0.000 0.298 262 T C -0.501 173.850 174.700 -0.581 0.000 0.942 262 T CA -0.246 61.532 62.100 -0.537 0.000 0.997 262 T CB -0.110 68.357 68.868 -0.667 0.000 0.917 262 T HN 0.542 nan 8.240 nan 0.000 0.487 263 L N 5.961 126.882 121.223 -0.503 0.000 2.262 263 L HA 0.366 4.707 4.340 0.001 0.000 0.288 263 L C -0.166 176.476 176.870 -0.379 0.000 1.035 263 L CA -0.669 53.917 54.840 -0.424 0.000 0.820 263 L CB 0.209 42.064 42.059 -0.340 0.000 1.204 263 L HN 0.644 nan 8.230 nan 0.000 0.424 264 H N 3.662 122.570 119.070 -0.269 0.000 2.652 264 H HA 0.120 4.676 4.556 0.001 0.000 0.298 264 H C -0.891 174.451 175.328 0.024 0.000 1.076 264 H CA -0.654 55.338 56.048 -0.093 0.000 1.360 264 H CB 1.338 31.065 29.762 -0.057 0.000 1.421 264 H HN 0.546 nan 8.280 nan 0.000 0.464 265 D N 4.328 124.802 120.400 0.123 0.000 2.344 265 D HA 0.014 4.655 4.640 0.001 0.000 0.253 265 D C 0.791 177.171 176.300 0.133 0.000 1.255 265 D CA -0.217 53.855 54.000 0.119 0.000 0.894 265 D CB 0.672 41.508 40.800 0.060 0.000 1.067 265 D HN 0.428 nan 8.370 nan 0.000 0.492 266 V N 1.537 121.556 119.914 0.174 0.000 3.043 266 V HA 0.150 4.271 4.120 0.001 0.000 0.357 266 V C 1.628 177.770 176.094 0.081 0.000 1.372 266 V CA -0.356 62.023 62.300 0.132 0.000 1.214 266 V CB -0.046 31.909 31.823 0.219 0.000 1.224 266 V HN 0.318 nan 8.190 nan 0.000 0.507 267 T N 1.852 116.449 114.554 0.071 0.000 2.759 267 T HA -0.124 4.227 4.350 0.001 0.000 0.269 267 T C 1.945 176.650 174.700 0.007 0.000 1.042 267 T CA 2.397 64.522 62.100 0.042 0.000 1.140 267 T CB -0.144 68.746 68.868 0.038 0.000 0.864 267 T HN 0.816 nan 8.240 nan 0.000 0.455 268 A N 0.370 123.188 122.820 -0.003 0.000 2.206 268 A HA 0.315 4.635 4.320 0.001 0.000 0.211 268 A C 0.832 178.392 177.584 -0.041 0.000 1.158 268 A CA 0.290 52.312 52.037 -0.025 0.000 0.761 268 A CB -0.314 18.670 19.000 -0.026 0.000 0.801 268 A HN 0.450 nan 8.150 nan 0.000 0.473 269 L N 0.099 121.300 121.223 -0.037 0.000 2.312 269 L HA 0.480 4.821 4.340 0.001 0.000 0.281 269 L C 1.188 178.008 176.870 -0.083 0.000 1.070 269 L CA -0.724 54.085 54.840 -0.053 0.000 0.805 269 L CB 1.116 43.151 42.059 -0.040 0.000 1.174 269 L HN 0.290 nan 8.230 nan 0.000 0.434 270 G N 0.030 108.764 108.800 -0.111 0.000 2.683 270 G HA2 0.047 4.008 3.960 0.001 0.000 0.260 270 G HA3 0.047 4.008 3.960 0.001 0.000 0.260 270 G C 0.609 175.419 174.900 -0.149 0.000 1.238 270 G CA -0.109 44.873 45.100 -0.198 0.000 0.934 270 G HN 0.841 nan 8.290 nan 0.000 0.534 271 H N -0.765 118.279 119.070 -0.042 0.000 2.267 271 H HA -0.146 4.410 4.556 0.001 0.000 0.297 271 H C 2.414 177.690 175.328 -0.086 0.000 1.080 271 H CA 1.622 57.630 56.048 -0.067 0.000 1.278 271 H CB -0.097 29.620 29.762 -0.073 0.000 1.365 271 H HN 0.261 nan 8.280 nan 0.000 0.489 272 L N 0.820 122.080 121.223 0.061 0.000 1.994 272 L HA -0.107 4.234 4.340 0.001 0.000 0.208 272 L C 2.495 179.350 176.870 -0.026 0.000 1.071 272 L CA 1.761 56.599 54.840 -0.005 0.000 0.745 272 L CB -0.912 41.144 42.059 -0.005 0.000 0.892 272 L HN 0.290 nan 8.230 nan 0.000 0.431 273 A N -1.558 121.246 122.820 -0.026 0.000 1.948 273 A HA -0.257 4.064 4.320 0.001 0.000 0.220 273 A C 2.268 179.847 177.584 -0.008 0.000 1.177 273 A CA 2.534 54.556 52.037 -0.025 0.000 0.636 273 A CB -1.281 17.695 19.000 -0.039 0.000 0.815 273 A HN 0.557 nan 8.150 nan 0.000 0.449 274 T N 0.024 114.567 114.554 -0.018 0.000 2.737 274 T HA 0.064 4.415 4.350 0.001 0.000 0.265 274 T C 2.278 176.925 174.700 -0.089 0.000 1.038 274 T CA 1.454 63.546 62.100 -0.014 0.000 1.144 274 T CB -0.487 68.368 68.868 -0.022 0.000 0.866 274 T HN 0.619 nan 8.240 nan 0.000 0.434 275 A N 1.940 124.683 122.820 -0.129 0.000 1.883 275 A HA -0.175 4.145 4.320 0.001 0.000 0.217 275 A C 2.245 179.744 177.584 -0.142 0.000 1.186 275 A CA 1.756 53.674 52.037 -0.199 0.000 0.624 275 A CB -0.501 18.387 19.000 -0.186 0.000 0.822 275 A HN 0.451 nan 8.150 nan 0.000 0.444 276 K N -1.784 118.577 120.400 -0.067 0.000 2.148 276 K HA -0.166 4.155 4.320 0.001 0.000 0.204 276 K C 2.051 178.671 176.600 0.034 0.000 1.050 276 K CA 1.422 57.693 56.287 -0.027 0.000 0.942 276 K CB -0.252 32.239 32.500 -0.014 0.000 0.724 276 K HN 0.698 nan 8.250 nan 0.000 0.446 277 H N 1.041 120.081 119.070 -0.050 0.000 2.357 277 H HA -0.001 4.555 4.556 0.001 0.000 0.301 277 H C 1.720 177.080 175.328 0.053 0.000 1.082 277 H CA 1.508 57.584 56.048 0.047 0.000 1.342 277 H CB -0.066 29.753 29.762 0.095 0.000 1.389 277 H HN 0.050 nan 8.280 nan 0.000 0.511 278 I N -0.113 120.302 120.570 -0.259 0.000 2.127 278 I HA -0.298 3.872 4.170 0.001 0.000 0.241 278 I C 2.647 178.622 176.117 -0.235 0.000 1.075 278 I CA 1.685 62.687 61.300 -0.497 0.000 1.334 278 I CB -0.281 37.262 38.000 -0.761 0.000 1.040 278 I HN 0.176 nan 8.210 nan 0.000 0.405 279 R N 0.476 120.869 120.500 -0.179 0.000 2.091 279 R HA -0.258 4.083 4.340 0.001 0.000 0.238 279 R C 2.464 178.716 176.300 -0.080 0.000 1.136 279 R CA 1.812 57.841 56.100 -0.118 0.000 0.959 279 R CB -0.955 29.290 30.300 -0.092 0.000 0.856 279 R HN 0.494 nan 8.270 nan 0.000 0.437 280 H N -0.955 118.019 119.070 -0.161 0.000 2.387 280 H HA -0.149 4.408 4.556 0.001 0.000 0.299 280 H C 0.690 175.833 175.328 -0.309 0.000 1.099 280 H CA 1.734 57.654 56.048 -0.213 0.000 1.315 280 H CB 0.040 29.671 29.762 -0.218 0.000 1.380 280 H HN 0.429 nan 8.280 nan 0.000 0.513 281 H N -0.335 118.584 119.070 -0.253 0.000 2.533 281 H HA 0.072 4.628 4.556 0.001 0.000 0.271 281 H C 1.041 176.221 175.328 -0.246 0.000 1.000 281 H CA 0.606 56.478 56.048 -0.293 0.000 1.149 281 H CB -0.016 29.579 29.762 -0.278 0.000 1.375 281 H HN 0.608 nan 8.280 nan 0.000 0.582 282 G N 2.012 110.732 108.800 -0.132 0.000 2.356 282 G HA2 -0.271 3.689 3.960 0.001 0.000 0.296 282 G HA3 -0.271 3.689 3.960 0.001 0.000 0.296 282 G C 0.280 175.121 174.900 -0.100 0.000 1.022 282 G CA -0.091 44.945 45.100 -0.106 0.000 0.961 282 G HN 0.232 nan 8.290 nan 0.000 0.510 283 I N 0.505 121.006 120.570 -0.116 0.000 2.752 283 I HA 0.042 4.213 4.170 0.001 0.000 0.289 283 I C 1.086 177.147 176.117 -0.093 0.000 1.197 283 I CA 0.014 61.254 61.300 -0.101 0.000 1.432 283 I CB 0.559 38.503 38.000 -0.092 0.000 1.359 283 I HN 0.216 nan 8.210 nan 0.000 0.571 284 D N 4.928 125.277 120.400 -0.085 0.000 2.338 284 D HA 0.070 4.711 4.640 0.001 0.000 0.224 284 D C 0.117 176.347 176.300 -0.116 0.000 0.967 284 D CA 0.929 54.865 54.000 -0.106 0.000 0.896 284 D CB 0.555 41.268 40.800 -0.145 0.000 1.028 284 D HN 0.147 nan 8.370 nan 0.000 0.493 285 L N 1.448 122.618 121.223 -0.089 0.000 2.343 285 L HA 0.353 4.694 4.340 0.001 0.000 0.278 285 L C -0.906 175.947 176.870 -0.027 0.000 0.996 285 L CA -0.679 54.108 54.840 -0.088 0.000 0.831 285 L CB 1.902 43.925 42.059 -0.059 0.000 1.232 285 L HN -0.135 nan 8.230 nan 0.000 0.413 286 L N 4.106 125.292 121.223 -0.061 0.000 2.298 286 L HA 0.608 4.948 4.340 0.001 0.000 0.284 286 L C -1.140 175.799 176.870 0.116 0.000 1.013 286 L CA 0.085 54.951 54.840 0.043 0.000 0.824 286 L CB 0.835 42.879 42.059 -0.026 0.000 1.221 286 L HN 0.291 nan 8.230 nan 0.000 0.418 287 F N 3.028 123.025 119.950 0.078 0.000 2.408 287 F HA 0.290 4.817 4.527 0.001 0.000 0.344 287 F C 0.379 176.432 175.800 0.420 0.000 1.112 287 F CA -0.424 57.716 58.000 0.233 0.000 1.096 287 F CB 1.228 40.338 39.000 0.183 0.000 1.129 287 F HN 0.463 nan 8.300 nan 0.000 0.486 288 D N 5.247 125.858 120.400 0.351 0.000 2.441 288 D HA 0.185 4.826 4.640 0.001 0.000 0.221 288 D C -0.271 176.168 176.300 0.232 0.000 1.156 288 D CA -0.069 53.945 54.000 0.023 0.000 0.896 288 D CB 0.309 40.611 40.800 -0.830 0.000 1.028 288 D HN 0.470 nan 8.370 nan 0.000 0.509 289 L N 4.113 125.553 121.223 0.362 0.000 2.990 289 L HA 0.356 4.697 4.340 0.001 0.000 0.231 289 L C 1.665 178.602 176.870 0.111 0.000 1.341 289 L CA -0.291 54.706 54.840 0.262 0.000 1.208 289 L CB 0.040 42.283 42.059 0.306 0.000 1.571 289 L HN 0.188 nan 8.230 nan 0.000 0.453 290 R N -0.090 120.454 120.500 0.074 0.000 2.009 290 R HA 0.242 4.582 4.340 0.001 0.000 0.206 290 R C 1.821 178.153 176.300 0.053 0.000 1.356 290 R CA 0.881 56.996 56.100 0.025 0.000 1.088 290 R CB -0.080 30.215 30.300 -0.008 0.000 0.959 290 R HN 0.417 nan 8.270 nan 0.000 0.469 291 G N -1.420 107.441 108.800 0.101 0.000 2.682 291 G HA2 -0.077 3.883 3.960 0.001 0.000 0.200 291 G HA3 -0.077 3.883 3.960 0.001 0.000 0.200 291 G C 0.530 175.320 174.900 -0.182 0.000 1.179 291 G CA -0.364 44.717 45.100 -0.033 0.000 0.718 291 G HN 0.272 nan 8.290 nan 0.000 0.685 292 W N 1.477 122.698 121.300 -0.132 0.000 3.278 292 W HA 0.396 5.057 4.660 0.001 0.000 0.308 292 W C 1.701 178.208 176.519 -0.020 0.000 1.253 292 W CA 0.080 57.306 57.345 -0.198 0.000 1.759 292 W CB 1.044 30.147 29.460 -0.596 0.000 1.093 292 W HN 0.272 nan 8.180 nan 0.000 0.648 293 G N 0.456 109.371 108.800 0.191 0.000 4.125 293 G HA2 0.427 4.388 3.960 0.001 0.000 0.301 293 G HA3 0.427 4.388 3.960 0.001 0.000 0.301 293 G C 0.603 175.409 174.900 -0.156 0.000 1.273 293 G CA 0.069 45.095 45.100 -0.123 0.000 1.095 293 G HN 0.232 nan 8.290 nan 0.000 0.582 294 G N -0.539 108.260 108.800 -0.002 0.000 2.992 294 G HA2 0.105 4.066 3.960 0.001 0.000 0.340 294 G HA3 0.105 4.066 3.960 0.001 0.000 0.340 294 G C 1.373 176.247 174.900 -0.043 0.000 1.539 294 G CA -0.338 44.764 45.100 0.003 0.000 0.997 294 G HN 1.185 nan 8.290 nan 0.000 0.561 295 G N -0.202 108.581 108.800 -0.029 0.000 2.626 295 G HA2 0.274 4.235 3.960 0.001 0.000 0.224 295 G HA3 0.274 4.235 3.960 0.001 0.000 0.224 295 G C 2.072 177.005 174.900 0.055 0.000 1.095 295 G CA 2.046 47.154 45.100 0.014 0.000 0.738 295 G HN 2.803 nan 8.290 nan 0.000 0.600 296 G N -1.268 107.561 108.800 0.048 0.000 2.893 296 G HA2 0.068 4.029 3.960 0.001 0.000 0.222 296 G HA3 0.068 4.029 3.960 0.001 0.000 0.222 296 G C 0.394 175.338 174.900 0.073 0.000 1.345 296 G CA 0.389 45.532 45.100 0.072 0.000 1.129 296 G HN 1.126 nan 8.290 nan 0.000 0.560 297 R N -0.375 120.194 120.500 0.116 0.000 3.624 297 R HA -0.109 4.232 4.340 0.001 0.000 0.315 297 R C -1.187 175.146 176.300 0.055 0.000 1.153 297 R CA 1.715 57.903 56.100 0.145 0.000 0.827 297 R CB -2.205 28.190 30.300 0.159 0.000 1.406 297 R HN 0.550 nan 8.270 nan 0.000 0.479 298 P HA -0.125 nan 4.420 nan 0.000 0.218 298 P C 0.904 177.992 177.300 -0.353 0.000 1.152 298 P CA 1.271 64.239 63.100 -0.220 0.000 0.826 298 P CB 0.077 31.619 31.700 -0.263 0.000 0.790 299 E N 0.287 120.241 120.200 -0.410 0.000 2.268 299 E HA -0.067 4.284 4.350 0.001 0.000 0.195 299 E C 2.054 178.415 176.600 -0.399 0.000 0.995 299 E CA 0.708 56.799 56.400 -0.514 0.000 0.836 299 E CB -1.584 27.764 29.700 -0.587 0.000 0.763 299 E HN 0.086 nan 8.360 nan 0.000 0.491 300 V N 0.811 120.584 119.914 -0.236 0.000 2.317 300 V HA -0.269 3.851 4.120 0.001 0.000 0.251 300 V C 2.059 177.894 176.094 -0.431 0.000 1.065 300 V CA 2.031 64.185 62.300 -0.244 0.000 1.049 300 V CB -0.694 31.030 31.823 -0.165 0.000 0.651 300 V HN 0.123 nan 8.190 nan 0.000 0.450 301 F N 0.019 119.688 119.950 -0.467 0.000 2.335 301 F HA 0.164 4.691 4.527 0.001 0.000 0.296 301 F C 2.329 177.546 175.800 -0.972 0.000 1.091 301 F CA 0.889 58.561 58.000 -0.547 0.000 1.399 301 F CB -0.691 38.104 39.000 -0.341 0.000 1.067 301 F HN 0.060 nan 8.300 nan 0.000 0.520 302 A N -0.066 121.979 122.820 -1.291 0.000 2.070 302 A HA -0.094 4.226 4.320 0.001 0.000 0.220 302 A C 2.044 179.331 177.584 -0.495 0.000 1.159 302 A CA 1.116 52.381 52.037 -1.287 0.000 0.656 302 A CB -0.990 17.229 19.000 -1.303 0.000 0.800 302 A HN 0.418 nan 8.150 nan 0.000 0.453 303 L N -1.664 119.316 121.223 -0.404 0.000 2.552 303 L HA 0.038 4.379 4.340 0.001 0.000 0.227 303 L C 0.509 177.267 176.870 -0.186 0.000 1.146 303 L CA 0.059 54.755 54.840 -0.242 0.000 0.858 303 L CB -0.212 41.716 42.059 -0.218 0.000 0.969 303 L HN 0.371 nan 8.230 nan 0.000 0.451 304 R N -0.990 119.392 120.500 -0.197 0.000 3.205 304 R HA -0.156 4.185 4.340 0.001 0.000 0.249 304 R C -1.827 174.387 176.300 -0.144 0.000 0.937 304 R CA 0.192 56.223 56.100 -0.115 0.000 0.641 304 R CB -1.306 28.976 30.300 -0.031 0.000 1.114 304 R HN 0.285 nan 8.270 nan 0.000 0.451 305 P HA -0.040 nan 4.420 nan 0.000 0.229 305 P C 0.113 177.300 177.300 -0.187 0.000 1.160 305 P CA 1.265 64.237 63.100 -0.214 0.000 0.777 305 P CB 0.490 32.009 31.700 -0.303 0.000 0.814 306 A N 0.695 123.409 122.820 -0.176 0.000 2.374 306 A HA 0.587 4.908 4.320 0.001 0.000 0.317 306 A C -1.914 175.614 177.584 -0.093 0.000 1.094 306 A CA -1.700 50.256 52.037 -0.135 0.000 0.765 306 A CB 1.086 20.000 19.000 -0.143 0.000 1.268 306 A HN -0.169 nan 8.150 nan 0.000 0.438 307 P HA 0.032 nan 4.420 nan 0.000 0.222 307 P C 0.019 177.247 177.300 -0.120 0.000 1.153 307 P CA 0.891 63.943 63.100 -0.080 0.000 0.798 307 P CB 0.158 31.816 31.700 -0.070 0.000 0.796 308 V N 1.230 121.055 119.914 -0.148 0.000 2.483 308 V HA 0.273 4.393 4.120 0.001 0.000 0.297 308 V C -0.287 175.760 176.094 -0.079 0.000 1.027 308 V CA -0.554 61.654 62.300 -0.153 0.000 0.855 308 V CB 1.925 33.583 31.823 -0.275 0.000 0.995 308 V HN -0.029 nan 8.190 nan 0.000 0.424 309 Q N 3.434 123.231 119.800 -0.005 0.000 2.337 309 Q HA 0.782 5.123 4.340 0.001 0.000 0.266 309 Q C -1.401 174.596 176.000 -0.005 0.000 1.023 309 Q CA -0.789 55.044 55.803 0.051 0.000 0.829 309 Q CB 3.215 32.095 28.738 0.237 0.000 1.306 309 Q HN 0.529 nan 8.270 nan 0.000 0.449 310 V N 2.327 122.147 119.914 -0.156 0.000 2.588 310 V HA 0.290 4.410 4.120 0.001 0.000 0.304 310 V C -0.581 175.480 176.094 -0.055 0.000 1.042 310 V CA -0.953 61.206 62.300 -0.235 0.000 0.877 310 V CB 1.964 33.252 31.823 -0.891 0.000 0.996 310 V HN 0.713 nan 8.190 nan 0.000 0.425 311 N N 3.815 122.564 118.700 0.083 0.000 2.426 311 N HA 0.341 5.082 4.740 0.001 0.000 0.257 311 N C -1.439 174.308 175.510 0.396 0.000 1.002 311 N CA -0.343 52.813 53.050 0.176 0.000 0.942 311 N CB 0.976 39.530 38.487 0.111 0.000 1.112 311 N HN 0.708 nan 8.380 nan 0.000 0.499 312 W N 5.990 127.472 121.300 0.304 0.000 3.274 312 W HA 0.468 5.129 4.660 0.002 0.000 0.327 312 W C 0.131 176.903 176.519 0.421 0.000 1.172 312 W CA -0.861 56.736 57.345 0.421 0.000 1.217 312 W CB 0.333 30.215 29.460 0.703 0.000 1.376 312 W HN 0.507 nan 8.180 nan 0.000 0.507 313 L N 3.796 125.045 121.223 0.043 0.000 3.159 313 L HA -0.402 3.939 4.340 0.001 0.000 0.370 313 L C 1.634 178.584 176.870 0.132 0.000 1.458 313 L CA 3.892 58.661 54.840 -0.118 0.000 3.093 313 L CB -1.934 39.571 42.059 -0.923 0.000 1.152 313 L HN 0.784 nan 8.230 nan 0.000 0.779 314 A N -1.775 121.130 122.820 0.140 0.000 1.872 314 A HA 0.025 4.346 4.320 0.001 0.000 0.214 314 A C 0.982 178.770 177.584 0.340 0.000 1.187 314 A CA 1.678 53.836 52.037 0.202 0.000 0.614 314 A CB -0.416 18.682 19.000 0.164 0.000 0.826 314 A HN 0.700 nan 8.150 nan 0.000 0.442 315 Y N 1.404 121.837 120.300 0.222 0.000 2.342 315 Y HA 0.492 5.042 4.550 0.001 0.000 0.338 315 Y C -2.554 173.479 175.900 0.223 0.000 0.965 315 Y CA -3.042 55.227 58.100 0.282 0.000 1.159 315 Y CB 1.662 40.278 38.460 0.260 0.000 1.157 315 Y HN 0.062 nan 8.280 nan 0.000 0.486 316 P HA 0.357 nan 4.420 nan 0.000 0.219 316 P C -0.223 176.900 177.300 -0.294 0.000 1.832 316 P CA 0.436 63.505 63.100 -0.051 0.000 1.014 316 P CB 0.174 32.127 31.700 0.422 0.000 1.939 317 G N -0.662 107.909 108.800 -0.381 0.000 2.320 317 G HA2 0.231 4.191 3.960 0.001 0.000 0.296 317 G HA3 0.231 4.191 3.960 0.001 0.000 0.296 317 G C -1.433 173.523 174.900 0.093 0.000 1.306 317 G CA -0.481 44.518 45.100 -0.168 0.000 0.836 317 G HN 0.137 nan 8.290 nan 0.000 0.517 318 T N -0.528 113.881 114.554 -0.242 0.000 2.913 318 T HA 0.422 4.773 4.350 0.001 0.000 0.297 318 T C 1.955 176.750 174.700 0.158 0.000 1.029 318 T CA 0.900 62.865 62.100 -0.223 0.000 1.104 318 T CB 0.772 69.297 68.868 -0.571 0.000 0.964 318 T HN 1.463 nan 8.240 nan 0.000 0.532 319 S N 2.977 118.745 115.700 0.113 0.000 2.436 319 S HA 0.161 4.632 4.470 0.001 0.000 0.228 319 S C 1.911 176.581 174.600 0.117 0.000 1.014 319 S CA 0.770 59.046 58.200 0.127 0.000 0.950 319 S CB -0.725 62.391 63.200 -0.140 0.000 0.784 319 S HN 1.731 nan 8.310 nan 0.000 0.504 320 G N 1.065 109.839 108.800 -0.044 0.000 2.168 320 G HA2 -0.083 3.877 3.960 0.001 0.000 0.257 320 G HA3 -0.083 3.877 3.960 0.001 0.000 0.257 320 G C 0.102 174.881 174.900 -0.202 0.000 0.997 320 G CA 0.190 45.231 45.100 -0.098 0.000 0.708 320 G HN 1.370 nan 8.290 nan 0.000 0.520 321 A N 0.131 122.725 122.820 -0.377 0.000 2.304 321 A HA 0.847 5.167 4.320 0.001 0.000 0.323 321 A C -0.459 176.732 177.584 -0.654 0.000 1.195 321 A CA -1.041 50.508 52.037 -0.814 0.000 0.826 321 A CB 1.436 19.395 19.000 -1.734 0.000 1.184 321 A HN 0.050 nan 8.150 nan 0.000 0.496 322 P HA -0.095 nan 4.420 nan 0.000 0.230 322 P C 0.643 177.906 177.300 -0.062 0.000 1.158 322 P CA 0.977 63.973 63.100 -0.175 0.000 0.769 322 P CB -0.105 31.576 31.700 -0.032 0.000 0.807 323 W N -2.227 119.068 121.300 -0.008 0.000 3.290 323 W HA 0.508 5.168 4.660 0.001 0.000 0.287 323 W C 0.274 176.783 176.519 -0.015 0.000 1.288 323 W CA -0.611 56.728 57.345 -0.010 0.000 1.725 323 W CB -0.928 28.536 29.460 0.007 0.000 1.103 323 W HN -0.266 nan 8.180 nan 0.000 0.670 324 M N 2.744 122.233 119.600 -0.185 0.000 2.129 324 M HA 0.225 4.706 4.480 0.001 0.000 0.348 324 M C 0.686 176.910 176.300 -0.128 0.000 1.116 324 M CA -0.116 55.121 55.300 -0.106 0.000 1.022 324 M CB 1.012 33.475 32.600 -0.228 0.000 1.599 324 M HN -0.016 nan 8.290 nan 0.000 0.449 325 D N 3.487 123.809 120.400 -0.131 0.000 2.162 325 D HA -0.016 4.625 4.640 0.001 0.000 0.205 325 D C -0.459 175.489 176.300 -0.586 0.000 0.964 325 D CA 1.470 55.244 54.000 -0.376 0.000 0.847 325 D CB 0.230 40.786 40.800 -0.407 0.000 0.988 325 D HN 0.469 nan 8.370 nan 0.000 0.480 326 Y N -0.636 119.662 120.300 -0.003 0.000 2.576 326 Y HA 0.464 5.015 4.550 0.001 0.000 0.346 326 Y C -0.235 175.676 175.900 0.018 0.000 1.018 326 Y CA -1.052 57.064 58.100 0.026 0.000 1.050 326 Y CB 2.211 40.665 38.460 -0.011 0.000 1.280 326 Y HN -0.365 nan 8.280 nan 0.000 0.474 327 V N 3.382 123.422 119.914 0.210 0.000 2.680 327 V HA 0.630 4.751 4.120 0.001 0.000 0.309 327 V C -1.729 174.446 176.094 0.134 0.000 1.052 327 V CA -0.878 61.510 62.300 0.148 0.000 0.908 327 V CB 1.888 33.764 31.823 0.088 0.000 1.001 327 V HN 0.615 nan 8.190 nan 0.000 0.431 328 L N 6.667 128.020 121.223 0.216 0.000 2.298 328 L HA 0.948 5.289 4.340 0.001 0.000 0.284 328 L C 0.227 177.289 176.870 0.320 0.000 1.013 328 L CA 0.873 55.846 54.840 0.223 0.000 0.824 328 L CB 0.793 42.952 42.059 0.166 0.000 1.221 328 L HN 0.815 nan 8.230 nan 0.000 0.418 329 G N 3.104 112.032 108.800 0.212 0.000 3.247 329 G HA2 0.663 4.624 3.960 0.001 0.000 0.226 329 G HA3 0.663 4.624 3.960 0.001 0.000 0.226 329 G C -1.568 173.531 174.900 0.332 0.000 1.220 329 G CA -0.084 45.180 45.100 0.273 0.000 0.875 329 G HN 0.650 nan 8.290 nan 0.000 0.606 330 D N -2.924 117.674 120.400 0.331 0.000 2.579 330 D HA 0.557 5.198 4.640 0.001 0.000 0.257 330 D C 0.923 177.381 176.300 0.263 0.000 1.176 330 D CA 0.086 54.261 54.000 0.291 0.000 0.914 330 D CB 1.232 42.223 40.800 0.318 0.000 1.431 330 D HN 0.617 nan 8.370 nan 0.000 0.454 331 A N -0.194 122.790 122.820 0.274 0.000 2.024 331 A HA -0.051 4.270 4.320 0.001 0.000 0.220 331 A C 1.642 179.343 177.584 0.194 0.000 1.164 331 A CA 1.174 53.334 52.037 0.204 0.000 0.643 331 A CB -0.962 18.153 19.000 0.192 0.000 0.806 331 A HN 0.548 nan 8.150 nan 0.000 0.451 332 F N -0.280 119.766 119.950 0.160 0.000 2.243 332 F HA 0.280 4.808 4.527 0.001 0.000 0.287 332 F C 2.472 178.285 175.800 0.021 0.000 1.067 332 F CA 0.967 58.993 58.000 0.043 0.000 1.304 332 F CB -0.152 38.872 39.000 0.040 0.000 1.087 332 F HN 0.200 nan 8.300 nan 0.000 0.513 333 A N -0.163 122.857 122.820 0.333 0.000 1.969 333 A HA -0.019 4.302 4.320 0.001 0.000 0.218 333 A C 0.881 178.475 177.584 0.017 0.000 1.169 333 A CA 1.056 53.065 52.037 -0.046 0.000 0.635 333 A CB -0.574 18.106 19.000 -0.534 0.000 0.810 333 A HN 0.285 nan 8.150 nan 0.000 0.445 334 L N 1.260 122.589 121.223 0.176 0.000 2.581 334 L HA 0.406 4.747 4.340 0.001 0.000 0.241 334 L C -2.758 174.138 176.870 0.044 0.000 1.265 334 L CA -3.013 51.929 54.840 0.170 0.000 0.954 334 L CB 0.915 43.048 42.059 0.124 0.000 1.269 334 L HN 0.013 nan 8.230 nan 0.000 0.475 335 P HA 0.314 nan 4.420 nan 0.000 0.274 335 P C -2.267 175.021 177.300 -0.020 0.000 1.256 335 P CA -1.245 61.833 63.100 -0.037 0.000 0.795 335 P CB 0.357 31.988 31.700 -0.116 0.000 1.038 336 P HA -0.214 nan 4.420 nan 0.000 0.216 336 P C 1.521 178.807 177.300 -0.023 0.000 1.157 336 P CA 2.421 65.502 63.100 -0.031 0.000 0.880 336 P CB -0.712 30.971 31.700 -0.029 0.000 0.791 337 A N -1.553 121.261 122.820 -0.011 0.000 2.139 337 A HA -0.173 4.148 4.320 0.001 0.000 0.221 337 A C 2.000 179.627 177.584 0.071 0.000 1.159 337 A CA 1.339 53.385 52.037 0.015 0.000 0.662 337 A CB -1.375 17.640 19.000 0.026 0.000 0.796 337 A HN 0.183 nan 8.150 nan 0.000 0.463 338 L N -1.122 120.160 121.223 0.099 0.000 2.554 338 L HA 0.190 4.531 4.340 0.001 0.000 0.225 338 L C 1.821 178.820 176.870 0.214 0.000 1.104 338 L CA 0.919 55.911 54.840 0.253 0.000 0.866 338 L CB -0.250 41.964 42.059 0.259 0.000 1.047 338 L HN 0.416 nan 8.230 nan 0.000 0.468 339 E N 0.210 120.432 120.200 0.037 0.000 2.118 339 E HA -0.192 4.159 4.350 0.001 0.000 0.195 339 E C -0.769 175.813 176.600 -0.030 0.000 0.992 339 E CA 1.410 57.806 56.400 -0.008 0.000 0.804 339 E CB -0.754 28.895 29.700 -0.086 0.000 0.741 339 E HN 0.463 nan 8.360 nan 0.000 0.458 340 P HA -0.109 nan 4.420 nan 0.000 0.226 340 P C 0.343 177.416 177.300 -0.379 0.000 1.153 340 P CA 0.934 63.814 63.100 -0.366 0.000 0.777 340 P CB -0.004 31.340 31.700 -0.593 0.000 0.794 341 F N -3.138 116.870 119.950 0.097 0.000 2.732 341 F HA 0.171 4.699 4.527 0.001 0.000 0.303 341 F C 0.621 176.390 175.800 -0.051 0.000 1.110 341 F CA -0.389 57.630 58.000 0.032 0.000 1.355 341 F CB -0.940 38.071 39.000 0.018 0.000 1.081 341 F HN -0.106 nan 8.300 nan 0.000 0.565 342 Y N -0.153 120.190 120.300 0.071 0.000 2.331 342 Y HA 0.207 4.757 4.550 0.001 0.000 0.338 342 Y C 1.637 177.529 175.900 -0.014 0.000 0.992 342 Y CA -0.687 57.430 58.100 0.028 0.000 1.121 342 Y CB 1.457 39.916 38.460 -0.002 0.000 1.184 342 Y HN -0.035 nan 8.280 nan 0.000 0.469 343 S N 0.351 116.082 115.700 0.052 0.000 2.453 343 S HA -0.037 4.434 4.470 0.001 0.000 0.231 343 S C 0.209 174.815 174.600 0.010 0.000 1.005 343 S CA 0.266 58.467 58.200 0.001 0.000 0.949 343 S CB -0.222 62.943 63.200 -0.058 0.000 0.774 343 S HN 0.642 nan 8.310 nan 0.000 0.510 344 E N 0.990 121.228 120.200 0.065 0.000 2.345 344 E HA 0.382 4.733 4.350 0.001 0.000 0.259 344 E C -0.314 176.314 176.600 0.047 0.000 1.117 344 E CA -0.493 55.927 56.400 0.033 0.000 0.913 344 E CB 0.227 29.968 29.700 0.069 0.000 1.057 344 E HN 0.478 nan 8.360 nan 0.000 0.432 345 H N 0.180 119.206 119.070 -0.074 0.000 2.803 345 H HA 0.202 4.759 4.556 0.001 0.000 0.330 345 H C -0.875 174.516 175.328 0.105 0.000 1.057 345 H CA -0.258 55.792 56.048 0.003 0.000 1.458 345 H CB 0.453 30.200 29.762 -0.024 0.000 1.470 345 H HN 0.128 nan 8.280 nan 0.000 0.560 346 V N 7.606 127.324 119.914 -0.325 0.000 2.432 346 V HA 0.185 4.306 4.120 0.001 0.000 0.275 346 V C 0.066 176.164 176.094 0.006 0.000 1.043 346 V CA -0.386 61.825 62.300 -0.149 0.000 0.925 346 V CB 0.712 32.387 31.823 -0.247 0.000 0.985 346 V HN 0.599 nan 8.190 nan 0.000 0.466 347 L N 5.817 127.098 121.223 0.097 0.000 2.333 347 L HA 0.724 5.064 4.340 0.001 0.000 0.269 347 L C -0.068 176.828 176.870 0.044 0.000 1.010 347 L CA -0.770 54.119 54.840 0.081 0.000 0.818 347 L CB 2.086 44.164 42.059 0.032 0.000 1.306 347 L HN 0.504 nan 8.230 nan 0.000 0.430 348 R N 1.535 122.055 120.500 0.035 0.000 2.628 348 R HA 0.611 4.952 4.340 0.001 0.000 0.288 348 R C -1.219 175.096 176.300 0.026 0.000 0.980 348 R CA -0.785 55.348 56.100 0.056 0.000 0.891 348 R CB 2.267 32.607 30.300 0.067 0.000 1.188 348 R HN 0.443 nan 8.270 nan 0.000 0.450 349 L N 2.138 123.382 121.223 0.034 0.000 2.466 349 L HA 0.130 4.471 4.340 0.001 0.000 0.257 349 L C 1.806 178.656 176.870 -0.034 0.000 1.189 349 L CA -0.115 54.693 54.840 -0.054 0.000 0.813 349 L CB 0.711 42.688 42.059 -0.137 0.000 1.118 349 L HN 0.598 nan 8.230 nan 0.000 0.471 350 Q N 0.710 120.463 119.800 -0.078 0.000 2.124 350 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 350 Q C 0.882 176.891 176.000 0.014 0.000 0.977 350 Q CA 1.608 57.397 55.803 -0.023 0.000 0.850 350 Q CB 0.107 28.819 28.738 -0.044 0.000 0.901 350 Q HN 0.923 nan 8.270 nan 0.000 0.429 351 G N -0.433 108.313 108.800 -0.089 0.000 3.194 351 G HA2 0.557 4.518 3.960 0.001 0.000 0.160 351 G HA3 0.557 4.518 3.960 0.001 0.000 0.160 351 G C -1.013 173.585 174.900 -0.502 0.000 1.267 351 G CA 0.042 45.052 45.100 -0.150 0.000 0.962 351 G HN 0.307 nan 8.290 nan 0.000 0.612 352 A N -0.626 121.776 122.820 -0.697 0.000 2.407 352 A HA 0.479 4.800 4.320 0.001 0.000 0.248 352 A C 0.831 178.403 177.584 -0.019 0.000 1.082 352 A CA -0.020 51.686 52.037 -0.553 0.000 0.785 352 A CB 0.000 18.737 19.000 -0.439 0.000 1.020 352 A HN 1.135 nan 8.150 nan 0.000 0.489 353 F N 0.082 120.098 119.950 0.109 0.000 2.451 353 F HA 0.045 4.573 4.527 0.001 0.000 0.299 353 F C 0.897 177.046 175.800 0.581 0.000 1.101 353 F CA 0.806 59.045 58.000 0.399 0.000 1.436 353 F CB 0.016 39.313 39.000 0.494 0.000 1.074 353 F HN 0.577 nan 8.300 nan 0.000 0.553 354 Q N 3.499 122.944 119.800 -0.592 0.000 2.325 354 Q HA 0.360 4.701 4.340 0.001 0.000 0.262 354 Q C -2.602 173.155 176.000 -0.404 0.000 0.968 354 Q CA -2.664 52.711 55.803 -0.714 0.000 0.877 354 Q CB 1.864 29.955 28.738 -1.079 0.000 1.253 354 Q HN 0.040 nan 8.270 nan 0.000 0.448 355 P HA 0.312 nan 4.420 nan 0.000 0.281 355 P C -1.262 175.743 177.300 -0.491 0.000 1.281 355 P CA -0.305 62.308 63.100 -0.812 0.000 0.811 355 P CB 1.517 32.596 31.700 -1.035 0.000 1.154 356 S N -2.058 113.394 115.700 -0.413 0.000 2.615 356 S HA 0.289 4.760 4.470 0.001 0.000 0.269 356 S C -1.184 173.216 174.600 -0.333 0.000 1.161 356 S CA -0.743 57.281 58.200 -0.293 0.000 0.817 356 S CB 0.643 63.757 63.200 -0.144 0.000 1.131 356 S HN 0.360 nan 8.310 nan 0.000 0.467 357 D N 1.680 121.873 120.400 -0.343 0.000 2.517 357 D HA 0.252 4.893 4.640 0.001 0.000 0.220 357 D C 1.429 177.380 176.300 -0.581 0.000 1.158 357 D CA -0.013 53.777 54.000 -0.350 0.000 0.992 357 D CB 0.168 40.830 40.800 -0.230 0.000 1.058 357 D HN 0.659 nan 8.370 nan 0.000 0.516 358 T N -1.045 113.145 114.554 -0.606 0.000 3.227 358 T HA -0.105 4.246 4.350 0.001 0.000 0.257 358 T C 1.523 176.024 174.700 -0.331 0.000 1.162 358 T CA 0.584 62.170 62.100 -0.857 0.000 1.051 358 T CB -0.242 68.366 68.868 -0.434 0.000 0.953 358 T HN 0.205 nan 8.240 nan 0.000 0.535 359 S N 0.064 115.644 115.700 -0.200 0.000 2.535 359 S HA 0.208 4.678 4.470 0.001 0.000 0.214 359 S C 0.796 175.430 174.600 0.056 0.000 0.980 359 S CA -0.858 57.327 58.200 -0.024 0.000 0.907 359 S CB -0.275 62.904 63.200 -0.034 0.000 0.790 359 S HN 0.474 nan 8.310 nan 0.000 0.510 360 R N 1.596 122.119 120.500 0.038 0.000 2.421 360 R HA 0.306 4.647 4.340 0.001 0.000 0.305 360 R C -0.969 175.540 176.300 0.349 0.000 1.039 360 R CA -0.162 56.047 56.100 0.182 0.000 1.003 360 R CB 0.641 31.049 30.300 0.180 0.000 0.959 360 R HN 0.149 nan 8.270 nan 0.000 0.427 361 V N 5.384 125.415 119.914 0.194 0.000 2.389 361 V HA 0.063 4.184 4.120 0.001 0.000 0.264 361 V C 0.429 176.581 176.094 0.096 0.000 1.049 361 V CA -0.601 61.776 62.300 0.129 0.000 0.932 361 V CB 1.240 33.103 31.823 0.067 0.000 1.011 361 V HN 0.478 nan 8.190 nan 0.000 0.475 362 V N 5.390 125.337 119.914 0.055 0.000 2.529 362 V HA 0.363 4.484 4.120 0.001 0.000 0.292 362 V C 0.953 177.039 176.094 -0.014 0.000 1.028 362 V CA 0.106 62.413 62.300 0.012 0.000 1.074 362 V CB 0.480 32.270 31.823 -0.054 0.000 0.958 362 V HN 0.985 nan 8.190 nan 0.000 0.481 363 A N 5.196 128.012 122.820 -0.007 0.000 2.259 363 A HA 0.511 4.831 4.320 0.001 0.000 0.278 363 A C 0.326 177.890 177.584 -0.033 0.000 1.107 363 A CA -0.547 51.482 52.037 -0.013 0.000 0.828 363 A CB 0.276 19.275 19.000 -0.001 0.000 1.111 363 A HN 0.752 nan 8.150 nan 0.000 0.498 364 E N 1.109 121.291 120.200 -0.031 0.000 2.283 364 E HA 0.374 4.724 4.350 0.001 0.000 0.278 364 E C -2.133 174.446 176.600 -0.034 0.000 1.027 364 E CA -1.443 54.929 56.400 -0.046 0.000 0.843 364 E CB 0.793 30.473 29.700 -0.033 0.000 1.062 364 E HN 0.455 nan 8.360 nan 0.000 0.401 365 P HA 0.358 nan 4.420 nan 0.000 0.278 365 P C -2.515 174.825 177.300 0.066 0.000 1.266 365 P CA -1.480 61.620 63.100 -0.001 0.000 0.807 365 P CB -0.248 31.428 31.700 -0.040 0.000 1.094 366 P HA 0.030 nan 4.420 nan 0.000 0.271 366 P C 0.263 177.690 177.300 0.211 0.000 1.244 366 P CA -0.081 63.091 63.100 0.121 0.000 0.793 366 P CB -0.004 31.757 31.700 0.103 0.000 0.984 367 S N 0.622 116.404 115.700 0.136 0.000 2.563 367 S HA -0.003 4.467 4.470 0.001 0.000 0.269 367 S C 1.291 175.881 174.600 -0.018 0.000 1.364 367 S CA -0.035 58.230 58.200 0.108 0.000 1.010 367 S CB 0.236 63.451 63.200 0.024 0.000 0.877 367 S HN 0.314 nan 8.310 nan 0.000 0.549 368 R N 0.482 120.803 120.500 -0.299 0.000 2.091 368 R HA -0.093 4.248 4.340 0.001 0.000 0.238 368 R C 2.533 178.651 176.300 -0.303 0.000 1.136 368 R CA 2.131 57.880 56.100 -0.584 0.000 0.959 368 R CB -1.189 28.772 30.300 -0.564 0.000 0.856 368 R HN 0.832 nan 8.270 nan 0.000 0.437 369 T N 1.101 115.548 114.554 -0.179 0.000 2.708 369 T HA -0.164 4.187 4.350 0.001 0.000 0.266 369 T C 1.661 176.315 174.700 -0.077 0.000 1.037 369 T CA 1.217 63.245 62.100 -0.119 0.000 1.146 369 T CB -0.158 68.664 68.868 -0.078 0.000 0.865 369 T HN 0.369 nan 8.240 nan 0.000 0.435 370 Q N -0.091 119.686 119.800 -0.039 0.000 2.364 370 Q HA -0.048 4.292 4.340 0.001 0.000 0.209 370 Q C 1.772 177.789 176.000 0.028 0.000 0.977 370 Q CA 0.779 56.585 55.803 0.005 0.000 0.885 370 Q CB -0.408 28.349 28.738 0.032 0.000 0.941 370 Q HN 0.530 nan 8.270 nan 0.000 0.464 371 C N -0.249 119.050 119.300 -0.002 0.000 2.855 371 C HA 0.339 4.800 4.460 0.001 0.000 0.279 371 C C 1.537 176.508 174.990 -0.033 0.000 1.270 371 C CA 0.119 59.176 59.018 0.065 0.000 1.702 371 C CB -0.537 27.291 27.740 0.147 0.000 1.949 371 C HN 0.746 nan 8.230 nan 0.000 0.618 372 G N 1.183 109.933 108.800 -0.082 0.000 2.162 372 G HA2 -0.244 3.717 3.960 0.001 0.000 0.260 372 G HA3 -0.244 3.717 3.960 0.001 0.000 0.260 372 G C 0.039 174.804 174.900 -0.224 0.000 0.976 372 G CA 0.107 45.148 45.100 -0.099 0.000 0.655 372 G HN 0.538 nan 8.290 nan 0.000 0.533 373 L N 1.735 122.743 121.223 -0.358 0.000 2.439 373 L HA 0.463 4.804 4.340 0.001 0.000 0.261 373 L C -1.088 175.618 176.870 -0.274 0.000 1.153 373 L CA -2.121 52.466 54.840 -0.423 0.000 0.808 373 L CB 0.461 42.155 42.059 -0.609 0.000 1.126 373 L HN -0.028 nan 8.230 nan 0.000 0.460 374 P HA 0.062 nan 4.420 nan 0.000 0.274 374 P C -0.109 177.084 177.300 -0.178 0.000 1.246 374 P CA -0.326 62.674 63.100 -0.166 0.000 0.795 374 P CB 0.921 32.542 31.700 -0.132 0.000 1.006 375 E N -0.426 119.693 120.200 -0.134 0.000 2.152 375 E HA -0.061 4.290 4.350 0.001 0.000 0.192 375 E C 0.463 176.996 176.600 -0.111 0.000 0.983 375 E CA 1.186 57.510 56.400 -0.127 0.000 0.818 375 E CB 0.252 29.897 29.700 -0.092 0.000 0.758 375 E HN 0.491 nan 8.360 nan 0.000 0.467 376 Q N -0.520 119.222 119.800 -0.096 0.000 2.351 376 Q HA 0.635 4.976 4.340 0.001 0.000 0.273 376 Q C 0.173 176.122 176.000 -0.086 0.000 1.077 376 Q CA -0.705 55.049 55.803 -0.082 0.000 0.843 376 Q CB 2.355 31.057 28.738 -0.061 0.000 1.367 376 Q HN 0.109 nan 8.270 nan 0.000 0.449 377 G N -0.619 108.136 108.800 -0.075 0.000 2.453 377 G HA2 -0.005 3.955 3.960 0.001 0.000 0.665 377 G HA3 -0.005 3.955 3.960 0.001 0.000 0.665 377 G C -1.113 173.747 174.900 -0.067 0.000 1.411 377 G CA -0.983 44.075 45.100 -0.069 0.000 0.889 377 G HN 0.340 nan 8.290 nan 0.000 0.651 378 V N 0.800 120.685 119.914 -0.049 0.000 2.585 378 V HA 0.382 4.503 4.120 0.001 0.000 0.296 378 V C 1.113 177.184 176.094 -0.039 0.000 1.035 378 V CA 0.057 62.337 62.300 -0.034 0.000 1.084 378 V CB 1.376 33.187 31.823 -0.021 0.000 0.953 378 V HN 1.404 nan 8.190 nan 0.000 0.483 379 V N 8.061 127.961 119.914 -0.023 0.000 2.318 379 V HA 0.439 4.559 4.120 0.001 0.000 0.271 379 V C -0.094 176.025 176.094 0.042 0.000 1.030 379 V CA -0.240 62.051 62.300 -0.014 0.000 0.844 379 V CB 0.711 32.504 31.823 -0.051 0.000 1.015 379 V HN 0.715 nan 8.190 nan 0.000 0.460 380 L N 7.125 128.357 121.223 0.016 0.000 2.375 380 L HA 0.691 5.032 4.340 0.001 0.000 0.271 380 L C 0.066 176.925 176.870 -0.018 0.000 1.107 380 L CA -0.261 54.580 54.840 0.001 0.000 0.806 380 L CB 1.428 43.479 42.059 -0.013 0.000 1.146 380 L HN 0.882 nan 8.230 nan 0.000 0.447 381 C N 1.278 120.496 119.300 -0.137 0.000 3.082 381 C HA 0.725 5.186 4.460 0.001 0.000 0.324 381 C C -0.809 173.738 174.990 -0.739 0.000 1.210 381 C CA -1.295 57.513 59.018 -0.350 0.000 1.366 381 C CB 0.851 28.353 27.740 -0.397 0.000 1.756 381 C HN 1.011 nan 8.230 nan 0.000 0.485 382 C N 5.359 124.190 119.300 -0.781 0.000 2.781 382 C HA 0.708 5.168 4.460 0.001 0.000 0.348 382 C C -1.500 173.260 174.990 -0.383 0.000 1.051 382 C CA -0.321 58.159 59.018 -0.896 0.000 1.347 382 C CB -0.672 26.806 27.740 -0.437 0.000 1.846 382 C HN 0.787 nan 8.230 nan 0.000 0.473 383 F N 5.624 125.456 119.950 -0.198 0.000 2.371 383 F HA 0.613 5.141 4.527 0.001 0.000 0.363 383 F C 0.527 176.428 175.800 0.168 0.000 1.122 383 F CA -0.320 57.716 58.000 0.060 0.000 1.129 383 F CB 0.587 39.711 39.000 0.206 0.000 1.173 383 F HN 0.592 nan 8.300 nan 0.000 0.489 384 N N 1.451 120.283 118.700 0.219 0.000 2.745 384 N HA 0.155 4.895 4.740 0.001 0.000 0.256 384 N C -1.141 174.307 175.510 -0.104 0.000 1.268 384 N CA -0.772 52.312 53.050 0.057 0.000 0.887 384 N CB 1.603 40.105 38.487 0.024 0.000 1.575 384 N HN 0.266 nan 8.380 nan 0.000 0.496 385 N N 0.010 118.546 118.700 -0.273 0.000 2.353 385 N HA -0.058 4.683 4.740 0.001 0.000 0.248 385 N C 1.346 176.545 175.510 -0.518 0.000 1.240 385 N CA 0.396 53.161 53.050 -0.475 0.000 0.862 385 N CB 0.471 38.426 38.487 -0.886 0.000 1.086 385 N HN 0.613 nan 8.380 nan 0.000 0.453 386 S N 1.915 117.413 115.700 -0.336 0.000 2.402 386 S HA -0.262 4.208 4.470 0.001 0.000 0.233 386 S C 1.688 176.204 174.600 -0.140 0.000 1.030 386 S CA 1.464 59.561 58.200 -0.172 0.000 1.003 386 S CB -0.817 62.320 63.200 -0.104 0.000 0.813 386 S HN 0.735 nan 8.310 nan 0.000 0.477 387 Y N 1.609 121.889 120.300 -0.033 0.000 2.421 387 Y HA 0.290 4.841 4.550 0.002 0.000 0.292 387 Y C 1.901 177.783 175.900 -0.031 0.000 1.136 387 Y CA 0.412 58.500 58.100 -0.021 0.000 1.255 387 Y CB -0.651 37.800 38.460 -0.016 0.000 0.991 387 Y HN 0.171 nan 8.280 nan 0.000 0.552 388 K N 0.792 121.051 120.400 -0.235 0.000 2.365 388 K HA 0.161 4.482 4.320 0.001 0.000 0.197 388 K C 0.130 176.698 176.600 -0.054 0.000 1.042 388 K CA 0.171 56.376 56.287 -0.136 0.000 0.987 388 K CB 0.047 32.368 32.500 -0.298 0.000 0.779 388 K HN 0.281 nan 8.250 nan 0.000 0.484 389 L N 3.918 125.131 121.223 -0.016 0.000 2.448 389 L HA 0.031 4.372 4.340 0.001 0.000 0.278 389 L C -0.277 176.675 176.870 0.137 0.000 1.201 389 L CA -0.668 54.220 54.840 0.081 0.000 1.036 389 L CB -0.675 41.472 42.059 0.146 0.000 1.325 389 L HN 0.237 nan 8.230 nan 0.000 0.441 390 N N 2.482 121.136 118.700 -0.076 0.000 2.485 390 N HA 0.456 5.197 4.740 0.001 0.000 0.280 390 N C -2.207 172.852 175.510 -0.752 0.000 1.205 390 N CA -2.383 50.424 53.050 -0.406 0.000 0.959 390 N CB 0.185 38.477 38.487 -0.326 0.000 1.206 390 N HN -0.143 nan 8.380 nan 0.000 0.545 391 P HA -0.285 nan 4.420 nan 0.000 0.215 391 P C 1.400 178.468 177.300 -0.387 0.000 1.163 391 P CA 2.039 64.457 63.100 -1.137 0.000 0.894 391 P CB 0.129 31.265 31.700 -0.940 0.000 0.791 392 Q N -0.433 119.190 119.800 -0.294 0.000 2.077 392 Q HA -0.188 4.153 4.340 0.001 0.000 0.206 392 Q C 2.050 177.982 176.000 -0.114 0.000 0.989 392 Q CA 2.560 58.277 55.803 -0.143 0.000 0.853 392 Q CB -0.597 28.074 28.738 -0.111 0.000 0.907 392 Q HN 0.101 nan 8.270 nan 0.000 0.418 393 S N 0.109 115.735 115.700 -0.124 0.000 2.355 393 S HA -0.110 4.361 4.470 0.001 0.000 0.222 393 S C 1.916 176.510 174.600 -0.010 0.000 1.031 393 S CA 1.295 59.439 58.200 -0.093 0.000 0.993 393 S CB -0.149 63.017 63.200 -0.058 0.000 0.859 393 S HN 0.384 nan 8.310 nan 0.000 0.453 394 M N 1.492 121.135 119.600 0.071 0.000 2.086 394 M HA -0.027 4.454 4.480 0.001 0.000 0.261 394 M C 2.512 178.971 176.300 0.265 0.000 1.067 394 M CA 1.523 56.975 55.300 0.254 0.000 1.116 394 M CB -1.712 31.195 32.600 0.512 0.000 1.348 394 M HN 0.374 nan 8.290 nan 0.000 0.407 395 A N 1.049 124.028 122.820 0.266 0.000 1.908 395 A HA -0.223 4.097 4.320 0.001 0.000 0.218 395 A C 2.168 179.798 177.584 0.077 0.000 1.181 395 A CA 2.171 54.314 52.037 0.177 0.000 0.627 395 A CB -0.719 18.376 19.000 0.159 0.000 0.818 395 A HN 0.653 nan 8.150 nan 0.000 0.445 396 R N -0.986 119.532 120.500 0.031 0.000 2.148 396 R HA 0.075 4.415 4.340 0.001 0.000 0.223 396 R C 1.945 178.341 176.300 0.161 0.000 1.088 396 R CA 1.454 57.575 56.100 0.035 0.000 0.985 396 R CB -0.492 29.717 30.300 -0.152 0.000 0.880 396 R HN 0.488 nan 8.270 nan 0.000 0.451 397 M N 1.163 120.850 119.600 0.146 0.000 2.123 397 M HA -0.037 4.443 4.480 0.001 0.000 0.263 397 M C 2.251 178.618 176.300 0.112 0.000 1.069 397 M CA 1.585 56.991 55.300 0.177 0.000 1.133 397 M CB -0.294 32.391 32.600 0.142 0.000 1.356 397 M HN 0.096 nan 8.290 nan 0.000 0.415 398 L N 0.073 121.349 121.223 0.088 0.000 2.083 398 L HA -0.165 4.176 4.340 0.001 0.000 0.209 398 L C 2.850 179.732 176.870 0.021 0.000 1.083 398 L CA 1.082 55.943 54.840 0.035 0.000 0.752 398 L CB -0.934 41.113 42.059 -0.020 0.000 0.899 398 L HN 0.305 nan 8.230 nan 0.000 0.433 399 A N -0.312 122.532 122.820 0.040 0.000 1.972 399 A HA -0.140 4.181 4.320 0.001 0.000 0.219 399 A C 2.340 179.949 177.584 0.040 0.000 1.169 399 A CA 1.721 53.779 52.037 0.033 0.000 0.635 399 A CB -0.730 18.299 19.000 0.049 0.000 0.810 399 A HN 0.208 nan 8.150 nan 0.000 0.446 400 V N 0.269 120.222 119.914 0.066 0.000 2.295 400 V HA -0.254 3.867 4.120 0.001 0.000 0.246 400 V C 2.550 178.655 176.094 0.017 0.000 1.049 400 V CA 1.855 64.181 62.300 0.044 0.000 1.024 400 V CB -0.797 31.056 31.823 0.051 0.000 0.648 400 V HN 0.578 nan 8.190 nan 0.000 0.447 401 L N -0.580 120.653 121.223 0.016 0.000 2.042 401 L HA -0.216 4.124 4.340 0.001 0.000 0.210 401 L C 2.809 179.673 176.870 -0.009 0.000 1.076 401 L CA 1.783 56.622 54.840 -0.001 0.000 0.749 401 L CB -0.726 41.332 42.059 -0.002 0.000 0.893 401 L HN 0.252 nan 8.230 nan 0.000 0.432 402 R N 0.032 120.526 120.500 -0.011 0.000 2.105 402 R HA -0.163 4.178 4.340 0.001 0.000 0.239 402 R C 2.049 178.341 176.300 -0.014 0.000 1.135 402 R CA 1.377 57.466 56.100 -0.019 0.000 0.967 402 R CB -0.116 30.169 30.300 -0.024 0.000 0.861 402 R HN 0.513 nan 8.270 nan 0.000 0.442 403 E N -0.195 120.001 120.200 -0.007 0.000 2.385 403 E HA 0.001 4.352 4.350 0.001 0.000 0.194 403 E C -0.109 176.485 176.600 -0.010 0.000 1.013 403 E CA 0.413 56.809 56.400 -0.006 0.000 0.866 403 E CB 0.610 30.309 29.700 -0.001 0.000 0.832 403 E HN 0.012 nan 8.360 nan 0.000 0.500 404 V N 3.122 123.029 119.914 -0.011 0.000 2.275 404 V HA 0.088 4.209 4.120 0.001 0.000 0.272 404 V C -1.773 174.310 176.094 -0.018 0.000 1.028 404 V CA -1.226 61.065 62.300 -0.015 0.000 0.810 404 V CB 1.221 33.035 31.823 -0.015 0.000 1.043 404 V HN -0.065 nan 8.190 nan 0.000 0.453 405 P HA -0.178 nan 4.420 nan 0.000 0.217 405 P C 0.772 178.057 177.300 -0.026 0.000 1.162 405 P CA 1.523 64.610 63.100 -0.021 0.000 0.901 405 P CB 0.256 31.945 31.700 -0.020 0.000 0.793 406 D N -1.465 118.918 120.400 -0.029 0.000 2.388 406 D HA 0.064 4.705 4.640 0.001 0.000 0.221 406 D C 0.511 176.784 176.300 -0.044 0.000 1.133 406 D CA 0.232 54.211 54.000 -0.036 0.000 0.831 406 D CB 0.068 40.845 40.800 -0.038 0.000 0.962 406 D HN 0.256 nan 8.370 nan 0.000 0.502 407 S N -0.480 115.198 115.700 -0.037 0.000 2.645 407 S HA 0.518 4.989 4.470 0.001 0.000 0.266 407 S C 0.063 174.635 174.600 -0.047 0.000 1.258 407 S CA -0.530 57.646 58.200 -0.040 0.000 0.990 407 S CB 2.426 65.610 63.200 -0.027 0.000 0.967 407 S HN -0.088 nan 8.310 nan 0.000 0.556 408 V N 0.777 120.658 119.914 -0.056 0.000 3.114 408 V HA 0.639 4.759 4.120 0.001 0.000 0.308 408 V C -1.545 174.521 176.094 -0.047 0.000 1.168 408 V CA -0.949 61.310 62.300 -0.068 0.000 1.015 408 V CB 2.147 33.899 31.823 -0.118 0.000 1.050 408 V HN 0.940 nan 8.190 nan 0.000 0.433 409 L N 3.493 124.691 121.223 -0.042 0.000 2.325 409 L HA 0.648 4.989 4.340 0.001 0.000 0.281 409 L C -1.662 175.225 176.870 0.029 0.000 1.004 409 L CA -0.049 54.783 54.840 -0.013 0.000 0.823 409 L CB 1.485 43.533 42.059 -0.019 0.000 1.236 409 L HN 0.731 nan 8.230 nan 0.000 0.415 410 W N 7.406 128.618 121.300 -0.146 0.000 2.417 410 W HA 0.659 5.319 4.660 0.000 0.000 0.315 410 W C -1.632 174.905 176.519 0.030 0.000 1.045 410 W CA -1.194 56.111 57.345 -0.067 0.000 1.221 410 W CB 1.143 30.611 29.460 0.013 0.000 1.309 410 W HN 0.387 nan 8.180 nan 0.000 0.453 411 L N 5.601 126.957 121.223 0.222 0.000 2.333 411 L HA 0.491 4.832 4.340 0.001 0.000 0.263 411 L C -0.002 176.964 176.870 0.159 0.000 1.014 411 L CA -1.430 53.509 54.840 0.164 0.000 0.820 411 L CB 1.859 43.908 42.059 -0.017 0.000 1.352 411 L HN 0.054 nan 8.230 nan 0.000 0.421 412 L N 1.017 122.319 121.223 0.131 0.000 2.416 412 L HA 0.167 4.508 4.340 0.001 0.000 0.272 412 L C 0.834 177.807 176.870 0.171 0.000 1.161 412 L CA 0.086 54.919 54.840 -0.012 0.000 0.845 412 L CB 1.248 43.264 42.059 -0.071 0.000 1.119 412 L HN 0.628 nan 8.230 nan 0.000 0.464 413 S N 1.539 117.338 115.700 0.165 0.000 2.552 413 S HA 0.295 4.765 4.470 0.001 0.000 0.289 413 S C 0.257 174.874 174.600 0.028 0.000 1.304 413 S CA -0.158 58.125 58.200 0.140 0.000 1.063 413 S CB 0.363 63.599 63.200 0.061 0.000 0.848 413 S HN 0.750 nan 8.310 nan 0.000 0.499 414 G N 4.140 112.924 108.800 -0.027 0.000 2.597 414 G HA2 0.680 4.640 3.960 0.001 0.000 0.317 414 G HA3 0.680 4.640 3.960 0.001 0.000 0.317 414 G C -3.058 171.786 174.900 -0.094 0.000 1.230 414 G CA -1.552 43.513 45.100 -0.059 0.000 0.996 414 G HN 0.580 nan 8.290 nan 0.000 0.490 415 P HA 0.345 nan 4.420 nan 0.000 0.274 415 P C 1.076 178.318 177.300 -0.097 0.000 1.237 415 P CA 0.910 63.959 63.100 -0.084 0.000 0.793 415 P CB 0.710 32.345 31.700 -0.108 0.000 0.977 416 G N 2.033 110.803 108.800 -0.049 0.000 2.632 416 G HA2 -0.295 3.665 3.960 0.001 0.000 0.322 416 G HA3 -0.295 3.665 3.960 0.001 0.000 0.322 416 G C 0.370 175.215 174.900 -0.090 0.000 1.326 416 G CA 0.116 45.190 45.100 -0.043 0.000 0.986 416 G HN 0.554 nan 8.290 nan 0.000 0.541 417 E N 1.328 121.470 120.200 -0.097 0.000 2.359 417 E HA 0.358 4.709 4.350 0.001 0.000 0.187 417 E C 2.248 178.743 176.600 -0.176 0.000 1.081 417 E CA 0.820 57.145 56.400 -0.125 0.000 0.929 417 E CB -0.214 29.429 29.700 -0.095 0.000 1.086 417 E HN 0.722 nan 8.360 nan 0.000 0.462 418 A N 1.407 124.112 122.820 -0.192 0.000 1.917 418 A HA -0.239 4.082 4.320 0.001 0.000 0.219 418 A C 1.675 179.105 177.584 -0.257 0.000 1.182 418 A CA 1.773 53.678 52.037 -0.221 0.000 0.633 418 A CB -0.188 18.700 19.000 -0.186 0.000 0.819 418 A HN 0.097 nan 8.150 nan 0.000 0.448 419 D N 0.020 120.193 120.400 -0.378 0.000 2.117 419 D HA -0.052 4.589 4.640 0.001 0.000 0.197 419 D C 2.168 178.220 176.300 -0.414 0.000 0.987 419 D CA 1.567 55.125 54.000 -0.736 0.000 0.829 419 D CB -0.500 39.571 40.800 -1.215 0.000 0.961 419 D HN 0.459 nan 8.370 nan 0.000 0.460 420 A N 0.800 123.459 122.820 -0.268 0.000 1.969 420 A HA -0.149 4.172 4.320 0.001 0.000 0.218 420 A C 2.148 179.673 177.584 -0.099 0.000 1.169 420 A CA 1.014 52.965 52.037 -0.142 0.000 0.635 420 A CB -0.312 18.617 19.000 -0.119 0.000 0.810 420 A HN 0.110 nan 8.150 nan 0.000 0.445 421 R N -0.599 119.810 120.500 -0.152 0.000 2.090 421 R HA 0.041 4.381 4.340 0.001 0.000 0.228 421 R C 1.970 178.197 176.300 -0.123 0.000 1.110 421 R CA 1.203 57.194 56.100 -0.181 0.000 0.973 421 R CB -0.445 29.657 30.300 -0.330 0.000 0.869 421 R HN 0.484 nan 8.270 nan 0.000 0.440 422 L N 0.169 121.350 121.223 -0.070 0.000 2.056 422 L HA -0.133 4.207 4.340 0.001 0.000 0.207 422 L C 2.632 179.646 176.870 0.240 0.000 1.078 422 L CA 1.278 56.192 54.840 0.123 0.000 0.749 422 L CB -0.384 41.823 42.059 0.248 0.000 0.901 422 L HN 0.143 nan 8.230 nan 0.000 0.433 423 R N -0.045 120.577 120.500 0.204 0.000 2.103 423 R HA -0.191 4.150 4.340 0.001 0.000 0.242 423 R C 2.356 178.750 176.300 0.156 0.000 1.142 423 R CA 1.591 57.806 56.100 0.192 0.000 0.960 423 R CB -0.458 29.927 30.300 0.141 0.000 0.858 423 R HN 0.374 nan 8.270 nan 0.000 0.439 424 A N 0.271 123.163 122.820 0.119 0.000 1.968 424 A HA -0.150 4.170 4.320 0.001 0.000 0.217 424 A C 1.872 179.590 177.584 0.224 0.000 1.169 424 A CA 0.760 52.875 52.037 0.129 0.000 0.638 424 A CB -0.492 18.548 19.000 0.067 0.000 0.812 424 A HN 0.333 nan 8.150 nan 0.000 0.446 425 F N 1.260 121.252 119.950 0.071 0.000 2.075 425 F HA -0.081 4.446 4.527 0.000 0.000 0.297 425 F C 2.555 178.440 175.800 0.142 0.000 1.113 425 F CA 0.982 59.057 58.000 0.125 0.000 1.218 425 F CB -0.775 38.323 39.000 0.163 0.000 0.984 425 F HN 0.257 nan 8.300 nan 0.000 0.472 426 A N -0.478 122.408 122.820 0.110 0.000 1.903 426 A HA -0.370 3.950 4.320 0.001 0.000 0.219 426 A C 2.132 179.705 177.584 -0.018 0.000 1.191 426 A CA 2.396 54.432 52.037 -0.001 0.000 0.638 426 A CB -1.600 17.460 19.000 0.099 0.000 0.823 426 A HN 0.686 nan 8.150 nan 0.000 0.451 427 H N -0.380 118.678 119.070 -0.021 0.000 2.293 427 H HA 0.050 4.607 4.556 0.002 0.000 0.300 427 H C 2.191 177.491 175.328 -0.048 0.000 1.082 427 H CA 2.105 58.141 56.048 -0.020 0.000 1.308 427 H CB -0.330 29.439 29.762 0.011 0.000 1.375 427 H HN 0.406 nan 8.280 nan 0.000 0.495 428 A N 0.145 122.982 122.820 0.028 0.000 2.076 428 A HA -0.152 4.168 4.320 0.001 0.000 0.220 428 A C 1.886 179.368 177.584 -0.169 0.000 1.160 428 A CA 1.499 53.513 52.037 -0.040 0.000 0.653 428 A CB -0.201 18.839 19.000 0.067 0.000 0.801 428 A HN 0.527 nan 8.150 nan 0.000 0.455 429 Q N -1.168 118.466 119.800 -0.277 0.000 2.280 429 Q HA 0.191 4.532 4.340 0.001 0.000 0.202 429 Q C 0.946 176.832 176.000 -0.190 0.000 0.903 429 Q CA 0.598 56.225 55.803 -0.293 0.000 0.948 429 Q CB -0.054 28.413 28.738 -0.451 0.000 1.058 429 Q HN 0.913 nan 8.270 nan 0.000 0.493 430 G N 0.469 109.151 108.800 -0.196 0.000 2.225 430 G HA2 -0.229 3.732 3.960 0.001 0.000 0.264 430 G HA3 -0.229 3.732 3.960 0.001 0.000 0.264 430 G C -0.182 174.640 174.900 -0.131 0.000 1.060 430 G CA 0.289 45.285 45.100 -0.174 0.000 0.833 430 G HN 0.206 nan 8.290 nan 0.000 0.498 431 V N 0.394 120.237 119.914 -0.118 0.000 2.525 431 V HA 0.406 4.526 4.120 0.001 0.000 0.299 431 V C 0.132 176.222 176.094 -0.006 0.000 1.034 431 V CA -0.860 61.407 62.300 -0.056 0.000 0.863 431 V CB 1.897 33.693 31.823 -0.045 0.000 0.999 431 V HN 0.442 nan 8.190 nan 0.000 0.423 432 D N 4.064 124.470 120.400 0.011 0.000 2.581 432 D HA 0.056 4.696 4.640 0.001 0.000 0.238 432 D C 1.243 177.587 176.300 0.074 0.000 1.145 432 D CA 0.804 54.838 54.000 0.056 0.000 0.866 432 D CB 1.659 42.478 40.800 0.032 0.000 1.151 432 D HN 0.691 nan 8.370 nan 0.000 0.500 433 A N 4.776 127.669 122.820 0.121 0.000 2.076 433 A HA -0.203 4.118 4.320 0.001 0.000 0.220 433 A C 1.769 179.410 177.584 0.095 0.000 1.160 433 A CA 1.110 53.217 52.037 0.117 0.000 0.653 433 A CB -0.242 18.824 19.000 0.111 0.000 0.801 433 A HN 0.627 nan 8.150 nan 0.000 0.455 434 Q N -0.549 119.290 119.800 0.065 0.000 2.444 434 Q HA 0.053 4.394 4.340 0.001 0.000 0.206 434 Q C 1.085 177.095 176.000 0.016 0.000 0.948 434 Q CA 0.415 56.245 55.803 0.045 0.000 0.946 434 Q CB -0.034 28.721 28.738 0.028 0.000 1.027 434 Q HN 0.711 nan 8.270 nan 0.000 0.513 435 R N -0.213 120.294 120.500 0.012 0.000 2.359 435 R HA 0.262 4.603 4.340 0.001 0.000 0.231 435 R C 0.159 176.434 176.300 -0.041 0.000 0.913 435 R CA -0.007 56.081 56.100 -0.021 0.000 1.075 435 R CB 0.478 30.768 30.300 -0.017 0.000 1.087 435 R HN 0.066 nan 8.270 nan 0.000 0.515 436 L N 1.169 122.371 121.223 -0.034 0.000 2.309 436 L HA 0.448 4.789 4.340 0.001 0.000 0.282 436 L C -0.372 176.376 176.870 -0.202 0.000 1.036 436 L CA -0.945 53.804 54.840 -0.151 0.000 0.806 436 L CB 1.903 43.859 42.059 -0.172 0.000 1.220 436 L HN -0.215 nan 8.230 nan 0.000 0.429 437 V N 2.857 122.608 119.914 -0.272 0.000 2.540 437 V HA 0.440 4.560 4.120 0.001 0.000 0.302 437 V C -0.696 175.326 176.094 -0.120 0.000 1.035 437 V CA -0.456 61.778 62.300 -0.109 0.000 0.873 437 V CB 1.833 33.585 31.823 -0.120 0.000 0.992 437 V HN 0.377 nan 8.190 nan 0.000 0.428 438 F N 4.027 124.124 119.950 0.244 0.000 2.402 438 F HA 0.529 5.055 4.527 -0.002 0.000 0.355 438 F C 0.308 176.220 175.800 0.186 0.000 1.123 438 F CA -0.469 57.650 58.000 0.198 0.000 1.021 438 F CB 1.641 40.699 39.000 0.098 0.000 1.160 438 F HN 0.311 nan 8.300 nan 0.000 0.451 439 M N 7.038 126.782 119.600 0.241 0.000 2.146 439 M HA 0.319 4.799 4.480 0.001 0.000 0.357 439 M C -2.382 173.926 176.300 0.014 0.000 1.261 439 M CA -1.612 53.737 55.300 0.082 0.000 1.106 439 M CB 1.127 33.530 32.600 -0.330 0.000 1.612 439 M HN 0.260 nan 8.290 nan 0.000 0.470 440 P HA 0.111 nan 4.420 nan 0.000 0.272 440 P C -1.273 176.005 177.300 -0.037 0.000 1.240 440 P CA -0.248 62.860 63.100 0.012 0.000 0.791 440 P CB 0.472 32.191 31.700 0.031 0.000 0.978 441 K N 1.232 121.608 120.400 -0.040 0.000 2.451 441 K HA 0.203 4.523 4.320 0.001 0.000 0.280 441 K C -0.613 175.962 176.600 -0.043 0.000 1.020 441 K CA 0.205 56.455 56.287 -0.062 0.000 1.008 441 K CB -0.323 32.149 32.500 -0.048 0.000 0.917 441 K HN 0.383 nan 8.250 nan 0.000 0.478 442 L N 5.975 127.167 121.223 -0.051 0.000 2.422 442 L HA 0.447 4.787 4.340 0.001 0.000 0.264 442 L C -2.173 174.702 176.870 0.008 0.000 0.984 442 L CA -2.559 52.277 54.840 -0.007 0.000 0.819 442 L CB 2.001 44.071 42.059 0.018 0.000 1.330 442 L HN 0.613 nan 8.230 nan 0.000 0.410 443 P HA -0.003 nan 4.420 nan 0.000 0.267 443 P C 0.298 177.664 177.300 0.109 0.000 1.200 443 P CA -0.013 63.116 63.100 0.049 0.000 0.772 443 P CB 0.504 32.230 31.700 0.043 0.000 0.855 444 H N 4.572 123.669 119.070 0.045 0.000 2.292 444 H HA -0.178 4.378 4.556 0.002 0.000 0.292 444 H C -0.934 174.524 175.328 0.216 0.000 1.100 444 H CA 2.900 59.035 56.048 0.144 0.000 1.238 444 H CB -1.480 28.338 29.762 0.092 0.000 1.355 444 H HN 0.434 nan 8.280 nan 0.000 0.484 445 P HA -0.093 nan 4.420 nan 0.000 0.220 445 P C 1.090 178.383 177.300 -0.013 0.000 1.148 445 P CA 1.720 64.827 63.100 0.012 0.000 0.803 445 P CB 0.028 31.766 31.700 0.063 0.000 0.782 446 Q N -2.191 117.622 119.800 0.022 0.000 2.163 446 Q HA -0.132 4.209 4.340 0.001 0.000 0.198 446 Q C 2.083 178.081 176.000 -0.005 0.000 0.954 446 Q CA 0.848 56.660 55.803 0.015 0.000 0.851 446 Q CB -0.589 28.169 28.738 0.033 0.000 0.928 446 Q HN 0.328 nan 8.270 nan 0.000 0.459 447 Y N 1.161 121.381 120.300 -0.133 0.000 2.114 447 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 447 Y C 1.963 177.760 175.900 -0.172 0.000 1.143 447 Y CA 1.075 59.052 58.100 -0.204 0.000 1.135 447 Y CB -0.442 37.898 38.460 -0.200 0.000 0.980 447 Y HN 0.060 nan 8.280 nan 0.000 0.499 448 L N 1.490 122.390 121.223 -0.539 0.000 2.043 448 L HA -0.197 4.144 4.340 0.001 0.000 0.212 448 L C 2.604 179.377 176.870 -0.161 0.000 1.075 448 L CA 2.210 56.798 54.840 -0.419 0.000 0.752 448 L CB -1.501 40.388 42.059 -0.285 0.000 0.891 448 L HN 0.430 nan 8.230 nan 0.000 0.432 449 A N -0.983 121.759 122.820 -0.129 0.000 1.986 449 A HA -0.234 4.086 4.320 0.001 0.000 0.220 449 A C 2.230 179.778 177.584 -0.060 0.000 1.171 449 A CA 1.519 53.515 52.037 -0.067 0.000 0.640 449 A CB -0.532 18.442 19.000 -0.044 0.000 0.811 449 A HN 0.413 nan 8.150 nan 0.000 0.451 450 R N -1.203 119.224 120.500 -0.122 0.000 2.127 450 R HA -0.154 4.187 4.340 0.001 0.000 0.238 450 R C 1.645 177.974 176.300 0.047 0.000 1.134 450 R CA 1.413 57.492 56.100 -0.035 0.000 0.975 450 R CB -1.119 28.977 30.300 -0.339 0.000 0.865 450 R HN 0.775 nan 8.270 nan 0.000 0.447 451 Y N 0.595 120.884 120.300 -0.017 0.000 2.483 451 Y HA -0.124 4.428 4.550 0.003 0.000 0.291 451 Y C 2.253 178.200 175.900 0.079 0.000 1.143 451 Y CA 0.914 59.047 58.100 0.055 0.000 1.289 451 Y CB -0.088 38.356 38.460 -0.028 0.000 0.983 451 Y HN 0.002 nan 8.280 nan 0.000 0.556 452 R N -0.896 119.670 120.500 0.111 0.000 2.237 452 R HA -0.112 4.229 4.340 0.001 0.000 0.219 452 R C 0.960 177.264 176.300 0.006 0.000 1.080 452 R CA 0.815 56.916 56.100 0.003 0.000 0.995 452 R CB -0.178 30.043 30.300 -0.132 0.000 0.875 452 R HN 0.465 nan 8.270 nan 0.000 0.462 453 H N -0.596 118.606 119.070 0.220 0.000 2.575 453 H HA 0.263 4.820 4.556 0.002 0.000 0.267 453 H C 0.378 175.834 175.328 0.213 0.000 0.966 453 H CA -0.007 56.144 56.048 0.172 0.000 1.165 453 H CB 0.288 30.136 29.762 0.143 0.000 1.433 453 H HN 0.085 nan 8.280 nan 0.000 0.544 454 A N 0.874 123.951 122.820 0.428 0.000 2.401 454 A HA 0.111 4.432 4.320 0.001 0.000 0.259 454 A C 0.664 178.422 177.584 0.290 0.000 1.103 454 A CA -0.207 52.052 52.037 0.369 0.000 0.789 454 A CB 0.569 19.785 19.000 0.360 0.000 1.035 454 A HN 0.162 nan 8.150 nan 0.000 0.491 455 D N 0.016 120.549 120.400 0.223 0.000 2.431 455 D HA 0.186 4.827 4.640 0.001 0.000 0.235 455 D C -0.285 176.200 176.300 0.307 0.000 0.980 455 D CA 0.920 55.059 54.000 0.231 0.000 0.912 455 D CB 0.399 41.260 40.800 0.101 0.000 1.056 455 D HN 0.372 nan 8.370 nan 0.000 0.494 456 L N -0.061 121.268 121.223 0.176 0.000 2.513 456 L HA 0.393 4.734 4.340 0.001 0.000 0.261 456 L C -1.895 175.045 176.870 0.117 0.000 0.945 456 L CA -0.830 54.083 54.840 0.122 0.000 0.848 456 L CB 2.218 44.309 42.059 0.053 0.000 1.334 456 L HN -0.205 nan 8.230 nan 0.000 0.407 457 F N 5.344 125.291 119.950 -0.005 0.000 2.410 457 F HA 0.641 5.168 4.527 0.001 0.000 0.349 457 F C -0.926 174.887 175.800 0.021 0.000 1.117 457 F CA -0.528 57.471 58.000 -0.001 0.000 1.104 457 F CB 0.959 39.972 39.000 0.021 0.000 1.122 457 F HN 0.367 nan 8.300 nan 0.000 0.483 458 L N 6.053 127.197 121.223 -0.131 0.000 2.283 458 L HA 0.248 4.589 4.340 0.001 0.000 0.281 458 L C -0.348 176.666 176.870 0.241 0.000 1.033 458 L CA -0.836 54.090 54.840 0.143 0.000 0.848 458 L CB 0.751 42.912 42.059 0.170 0.000 1.226 458 L HN 0.596 nan 8.230 nan 0.000 0.429 459 D N 2.097 122.802 120.400 0.508 0.000 2.378 459 D HA 0.149 4.790 4.640 0.001 0.000 0.238 459 D C 0.196 176.661 176.300 0.274 0.000 1.180 459 D CA 0.192 54.474 54.000 0.470 0.000 0.895 459 D CB 1.086 42.144 40.800 0.430 0.000 1.192 459 D HN 0.535 nan 8.370 nan 0.000 0.438 460 T N -0.531 114.147 114.554 0.207 0.000 2.952 460 T HA 0.558 4.908 4.350 0.001 0.000 0.286 460 T C -0.614 174.176 174.700 0.150 0.000 1.024 460 T CA -0.731 61.432 62.100 0.105 0.000 1.029 460 T CB 1.448 70.349 68.868 0.054 0.000 1.094 460 T HN 0.506 nan 8.240 nan 0.000 0.515 461 H N 0.818 119.878 119.070 -0.018 0.000 2.771 461 H HA 0.476 5.033 4.556 0.001 0.000 0.361 461 H C -2.461 172.846 175.328 -0.036 0.000 1.108 461 H CA -1.967 54.073 56.048 -0.012 0.000 1.201 461 H CB 2.603 32.327 29.762 -0.063 0.000 1.681 461 H HN 0.364 nan 8.280 nan 0.000 0.534 462 P HA 0.035 nan 4.420 nan 0.000 0.262 462 P C -0.740 176.447 177.300 -0.190 0.000 1.304 462 P CA 0.437 63.050 63.100 -0.812 0.000 0.859 462 P CB 0.142 31.399 31.700 -0.739 0.000 1.310 463 Y N 1.314 121.507 120.300 -0.178 0.000 2.575 463 Y HA 0.315 4.866 4.550 0.002 0.000 0.326 463 Y C 0.074 175.961 175.900 -0.022 0.000 0.979 463 Y CA -1.133 56.908 58.100 -0.098 0.000 1.286 463 Y CB 0.485 38.871 38.460 -0.123 0.000 1.093 463 Y HN -0.154 nan 8.280 nan 0.000 0.501 464 N N 2.663 121.598 118.700 0.392 0.000 2.297 464 N HA 0.220 4.960 4.740 0.001 0.000 0.232 464 N C -0.301 175.351 175.510 0.238 0.000 1.311 464 N CA -0.283 52.967 53.050 0.333 0.000 0.897 464 N CB 0.573 39.317 38.487 0.427 0.000 1.137 464 N HN 0.640 nan 8.380 nan 0.000 0.449 465 A N 0.441 123.429 122.820 0.280 0.000 2.540 465 A HA -0.003 4.317 4.320 0.001 0.000 0.239 465 A C 0.070 177.892 177.584 0.397 0.000 1.061 465 A CA 0.481 52.680 52.037 0.270 0.000 0.758 465 A CB -0.070 19.129 19.000 0.332 0.000 0.991 465 A HN 0.830 nan 8.150 nan 0.000 0.502 466 H N 1.204 120.368 119.070 0.156 0.000 2.772 466 H HA 0.006 4.562 4.556 0.001 0.000 0.222 466 H C 1.825 177.215 175.328 0.103 0.000 1.135 466 H CA 0.536 56.688 56.048 0.173 0.000 1.513 466 H CB 0.199 30.123 29.762 0.270 0.000 1.377 466 H HN 0.654 nan 8.280 nan 0.000 0.524 467 T N 0.675 115.387 114.554 0.263 0.000 2.720 467 T HA -0.181 4.170 4.350 0.001 0.000 0.268 467 T C 2.111 176.916 174.700 0.175 0.000 1.037 467 T CA 2.109 64.306 62.100 0.162 0.000 1.144 467 T CB -0.536 68.418 68.868 0.145 0.000 0.864 467 T HN 0.562 nan 8.240 nan 0.000 0.444 468 T N 0.745 115.432 114.554 0.220 0.000 2.915 468 T HA 0.131 4.482 4.350 0.001 0.000 0.269 468 T C 2.240 176.938 174.700 -0.003 0.000 1.071 468 T CA 0.897 63.173 62.100 0.294 0.000 1.132 468 T CB -0.457 68.695 68.868 0.474 0.000 0.878 468 T HN 0.359 nan 8.240 nan 0.000 0.479 469 A N 1.399 124.155 122.820 -0.107 0.000 1.898 469 A HA 0.036 4.356 4.320 0.001 0.000 0.216 469 A C 2.696 180.159 177.584 -0.201 0.000 1.181 469 A CA 1.773 53.608 52.037 -0.338 0.000 0.620 469 A CB -1.250 17.662 19.000 -0.146 0.000 0.819 469 A HN 0.494 nan 8.150 nan 0.000 0.442 470 S N -0.217 115.455 115.700 -0.047 0.000 2.359 470 S HA -0.194 4.276 4.470 0.001 0.000 0.224 470 S C 1.723 176.368 174.600 0.074 0.000 1.035 470 S CA 1.715 59.947 58.200 0.052 0.000 1.018 470 S CB -0.542 62.681 63.200 0.039 0.000 0.876 470 S HN 0.590 nan 8.310 nan 0.000 0.448 471 D N 1.517 121.934 120.400 0.030 0.000 2.106 471 D HA -0.106 4.534 4.640 0.001 0.000 0.191 471 D C 2.217 178.255 176.300 -0.436 0.000 0.997 471 D CA 1.460 55.440 54.000 -0.033 0.000 0.834 471 D CB -0.802 40.103 40.800 0.174 0.000 0.956 471 D HN 0.474 nan 8.370 nan 0.000 0.448 472 A N 0.753 123.155 122.820 -0.696 0.000 1.865 472 A HA -0.155 4.166 4.320 0.001 0.000 0.217 472 A C 2.485 179.816 177.584 -0.421 0.000 1.191 472 A CA 1.228 52.719 52.037 -0.910 0.000 0.623 472 A CB -0.912 17.683 19.000 -0.675 0.000 0.826 472 A HN 0.217 nan 8.150 nan 0.000 0.444 473 L N -1.894 119.207 121.223 -0.204 0.000 2.056 473 L HA -0.187 4.154 4.340 0.001 0.000 0.207 473 L C 2.599 179.430 176.870 -0.065 0.000 1.078 473 L CA 1.320 56.136 54.840 -0.039 0.000 0.749 473 L CB -0.547 41.605 42.059 0.155 0.000 0.901 473 L HN 0.782 nan 8.230 nan 0.000 0.433 474 W N 1.516 122.641 121.300 -0.292 0.000 2.325 474 W HA -0.278 4.382 4.660 0.000 0.000 0.299 474 W C 2.336 178.620 176.519 -0.391 0.000 1.215 474 W CA 2.042 59.026 57.345 -0.601 0.000 1.244 474 W CB -0.071 29.100 29.460 -0.481 0.000 1.140 474 W HN 0.353 nan 8.180 nan 0.000 0.523 475 T N -2.638 111.699 114.554 -0.362 0.000 3.088 475 T HA 0.243 4.594 4.350 0.001 0.000 0.259 475 T C 1.485 176.009 174.700 -0.293 0.000 1.122 475 T CA 1.206 63.086 62.100 -0.367 0.000 1.095 475 T CB -0.117 68.635 68.868 -0.194 0.000 0.930 475 T HN 0.397 nan 8.240 nan 0.000 0.508 476 G N 0.014 108.652 108.800 -0.270 0.000 2.168 476 G HA2 -0.197 3.764 3.960 0.001 0.000 0.197 476 G HA3 -0.197 3.764 3.960 0.001 0.000 0.197 476 G C 0.176 174.965 174.900 -0.185 0.000 0.997 476 G CA -0.298 44.685 45.100 -0.195 0.000 0.658 476 G HN 0.877 nan 8.290 nan 0.000 0.513 477 C N 2.505 121.702 119.300 -0.173 0.000 2.265 477 C HA 0.721 5.181 4.460 0.001 0.000 0.332 477 C C -1.713 173.165 174.990 -0.187 0.000 1.248 477 C CA -2.242 56.678 59.018 -0.163 0.000 1.727 477 C CB 0.345 28.123 27.740 0.064 0.000 2.348 477 C HN 0.300 nan 8.230 nan 0.000 0.519 478 P HA 0.167 nan 4.420 nan 0.000 0.267 478 P C -0.969 176.314 177.300 -0.029 0.000 1.200 478 P CA 0.174 63.178 63.100 -0.160 0.000 0.772 478 P CB 0.452 32.042 31.700 -0.183 0.000 0.855 479 V N 4.298 124.200 119.914 -0.021 0.000 2.409 479 V HA 0.260 4.381 4.120 0.001 0.000 0.291 479 V C -0.068 176.070 176.094 0.074 0.000 1.020 479 V CA -0.672 61.666 62.300 0.063 0.000 0.848 479 V CB 1.451 33.238 31.823 -0.060 0.000 0.990 479 V HN 0.354 nan 8.190 nan 0.000 0.430 480 L N 5.038 126.326 121.223 0.110 0.000 2.289 480 L HA 0.823 5.164 4.340 0.001 0.000 0.285 480 L C 0.036 177.041 176.870 0.224 0.000 1.049 480 L CA 0.956 55.818 54.840 0.036 0.000 0.804 480 L CB 1.582 43.506 42.059 -0.225 0.000 1.195 480 L HN 0.815 nan 8.230 nan 0.000 0.428 481 T N 1.724 116.421 114.554 0.239 0.000 2.868 481 T HA 0.596 4.946 4.350 0.001 0.000 0.306 481 T C -0.942 173.930 174.700 0.286 0.000 1.224 481 T CA -0.114 62.178 62.100 0.321 0.000 1.012 481 T CB 1.306 70.315 68.868 0.234 0.000 1.221 481 T HN 0.716 nan 8.240 nan 0.000 0.499 482 T N 2.338 117.038 114.554 0.243 0.000 3.154 482 T HA 0.573 4.924 4.350 0.001 0.000 0.381 482 T C -2.807 171.965 174.700 0.120 0.000 1.368 482 T CA -1.726 60.455 62.100 0.134 0.000 1.155 482 T CB 0.381 69.247 68.868 -0.004 0.000 1.120 482 T HN 0.322 nan 8.240 nan 0.000 0.570 483 P HA 0.232 nan 4.420 nan 0.000 0.261 483 P C 0.771 178.140 177.300 0.115 0.000 1.173 483 P CA 0.446 63.666 63.100 0.200 0.000 0.760 483 P CB 0.498 32.374 31.700 0.293 0.000 0.783 484 G N 2.294 111.180 108.800 0.144 0.000 2.940 484 G HA2 0.214 4.175 3.960 0.001 0.000 0.164 484 G HA3 0.214 4.175 3.960 0.001 0.000 0.164 484 G C -0.018 174.923 174.900 0.068 0.000 1.326 484 G CA -0.327 44.856 45.100 0.138 0.000 1.020 484 G HN 0.434 nan 8.290 nan 0.000 0.586 485 E N -0.675 119.569 120.200 0.073 0.000 2.538 485 E HA 0.186 4.537 4.350 0.001 0.000 0.207 485 E C 0.227 176.847 176.600 0.034 0.000 1.002 485 E CA -0.027 56.391 56.400 0.031 0.000 0.952 485 E CB 0.973 30.681 29.700 0.013 0.000 1.031 485 E HN 0.470 nan 8.360 nan 0.000 0.476 486 T N -3.385 111.195 114.554 0.043 0.000 2.930 486 T HA 0.273 4.624 4.350 0.001 0.000 0.290 486 T C 0.516 175.295 174.700 0.131 0.000 1.052 486 T CA -0.836 61.307 62.100 0.073 0.000 1.017 486 T CB 1.215 70.080 68.868 -0.005 0.000 1.137 486 T HN -0.039 nan 8.240 nan 0.000 0.511 487 F N 1.568 121.548 119.950 0.050 0.000 2.102 487 F HA 0.072 4.599 4.527 0.001 0.000 0.298 487 F C 2.620 178.435 175.800 0.025 0.000 1.105 487 F CA 2.045 60.069 58.000 0.041 0.000 1.239 487 F CB -0.754 38.295 39.000 0.081 0.000 0.991 487 F HN 0.748 nan 8.300 nan 0.000 0.474 488 A N -0.159 122.797 122.820 0.226 0.000 2.125 488 A HA 0.056 4.377 4.320 0.001 0.000 0.219 488 A C 1.943 179.663 177.584 0.227 0.000 1.156 488 A CA 1.318 53.487 52.037 0.220 0.000 0.671 488 A CB -1.277 17.659 19.000 -0.107 0.000 0.794 488 A HN 0.455 nan 8.150 nan 0.000 0.459 489 A N -1.135 121.748 122.820 0.105 0.000 2.460 489 A HA 0.389 4.710 4.320 0.001 0.000 0.258 489 A C 1.366 179.043 177.584 0.155 0.000 1.300 489 A CA -0.130 51.995 52.037 0.145 0.000 0.913 489 A CB -0.042 19.022 19.000 0.108 0.000 1.031 489 A HN 0.445 nan 8.150 nan 0.000 0.512 490 R N -1.547 118.994 120.500 0.068 0.000 2.549 490 R HA 0.181 4.522 4.340 0.001 0.000 0.361 490 R C 0.770 177.119 176.300 0.081 0.000 0.969 490 R CA 0.143 56.319 56.100 0.126 0.000 1.158 490 R CB 0.459 30.798 30.300 0.065 0.000 1.456 490 R HN 0.246 nan 8.270 nan 0.000 0.540 491 V N 0.935 120.819 119.914 -0.049 0.000 2.307 491 V HA -0.201 3.920 4.120 0.001 0.000 0.245 491 V C 2.435 178.564 176.094 0.058 0.000 1.045 491 V CA 2.417 64.682 62.300 -0.057 0.000 1.024 491 V CB -0.380 31.275 31.823 -0.280 0.000 0.651 491 V HN 0.399 nan 8.190 nan 0.000 0.449 492 A N 0.530 123.415 122.820 0.109 0.000 1.933 492 A HA -0.095 4.225 4.320 0.001 0.000 0.218 492 A C 2.383 179.975 177.584 0.013 0.000 1.175 492 A CA 1.908 53.990 52.037 0.076 0.000 0.628 492 A CB -1.180 17.901 19.000 0.135 0.000 0.814 492 A HN 0.542 nan 8.150 nan 0.000 0.444 493 G N -1.050 107.777 108.800 0.044 0.000 2.443 493 G HA2 -0.130 3.830 3.960 0.001 0.000 0.219 493 G HA3 -0.130 3.830 3.960 0.001 0.000 0.219 493 G C 1.852 176.369 174.900 -0.639 0.000 1.131 493 G CA 1.433 46.465 45.100 -0.114 0.000 0.775 493 G HN 0.585 nan 8.290 nan 0.000 0.547 494 S N -0.089 115.403 115.700 -0.347 0.000 2.371 494 S HA 0.026 4.496 4.470 0.001 0.000 0.224 494 S C 2.424 177.045 174.600 0.034 0.000 1.029 494 S CA 0.717 58.785 58.200 -0.221 0.000 0.978 494 S CB -0.253 63.101 63.200 0.257 0.000 0.833 494 S HN 0.331 nan 8.310 nan 0.000 0.466 495 L N 1.646 122.847 121.223 -0.037 0.000 1.971 495 L HA -0.175 4.165 4.340 0.001 0.000 0.215 495 L C 2.592 179.408 176.870 -0.089 0.000 1.072 495 L CA 1.601 56.395 54.840 -0.077 0.000 0.758 495 L CB -1.094 40.902 42.059 -0.104 0.000 0.889 495 L HN 0.324 nan 8.230 nan 0.000 0.433 496 N N -0.523 118.105 118.700 -0.120 0.000 2.061 496 N HA -0.261 4.479 4.740 0.001 0.000 0.193 496 N C 1.864 177.288 175.510 -0.144 0.000 1.030 496 N CA 1.820 54.801 53.050 -0.115 0.000 0.856 496 N CB -0.563 37.864 38.487 -0.100 0.000 1.023 496 N HN 0.453 nan 8.380 nan 0.000 0.424 497 H N -0.362 118.484 119.070 -0.372 0.000 2.357 497 H HA -0.003 4.553 4.556 0.001 0.000 0.301 497 H C 1.502 176.621 175.328 -0.349 0.000 1.082 497 H CA 1.865 57.655 56.048 -0.430 0.000 1.342 497 H CB -0.228 29.070 29.762 -0.774 0.000 1.389 497 H HN 0.382 nan 8.280 nan 0.000 0.511 498 H N -1.287 117.615 119.070 -0.281 0.000 2.529 498 H HA 0.029 4.586 4.556 0.001 0.000 0.277 498 H C 1.672 176.859 175.328 -0.235 0.000 0.999 498 H CA 0.649 56.531 56.048 -0.277 0.000 1.256 498 H CB 0.330 29.998 29.762 -0.156 0.000 1.402 498 H HN 0.241 nan 8.280 nan 0.000 0.566 499 L N -0.888 120.271 121.223 -0.107 0.000 2.179 499 L HA 0.155 4.496 4.340 0.001 0.000 0.208 499 L C 1.734 178.543 176.870 -0.102 0.000 1.096 499 L CA 1.795 56.583 54.840 -0.086 0.000 0.779 499 L CB -0.539 41.487 42.059 -0.054 0.000 0.922 499 L HN 0.518 nan 8.230 nan 0.000 0.443 500 G N -1.407 107.301 108.800 -0.153 0.000 2.168 500 G HA2 -0.205 3.756 3.960 0.001 0.000 0.197 500 G HA3 -0.205 3.756 3.960 0.001 0.000 0.197 500 G C 0.517 175.368 174.900 -0.082 0.000 0.997 500 G CA 0.091 45.111 45.100 -0.132 0.000 0.658 500 G HN 0.236 nan 8.290 nan 0.000 0.513 501 L N 1.733 122.911 121.223 -0.076 0.000 2.955 501 L HA 0.260 4.601 4.340 0.001 0.000 0.238 501 L C 1.278 178.131 176.870 -0.029 0.000 1.359 501 L CA -0.401 54.411 54.840 -0.048 0.000 1.214 501 L CB -0.014 42.016 42.059 -0.048 0.000 1.600 501 L HN 0.114 nan 8.230 nan 0.000 0.442 502 D N 0.773 121.168 120.400 -0.009 0.000 2.218 502 D HA -0.200 4.441 4.640 0.001 0.000 0.204 502 D C 1.871 178.188 176.300 0.029 0.000 0.976 502 D CA 1.084 55.102 54.000 0.031 0.000 0.853 502 D CB 0.260 41.104 40.800 0.074 0.000 0.939 502 D HN 0.586 nan 8.370 nan 0.000 0.481 503 E N 0.734 120.941 120.200 0.013 0.000 2.409 503 E HA -0.150 4.201 4.350 0.001 0.000 0.198 503 E C 1.355 177.959 176.600 0.006 0.000 1.024 503 E CA 0.518 56.925 56.400 0.011 0.000 0.861 503 E CB -0.093 29.609 29.700 0.002 0.000 0.788 503 E HN 0.196 nan 8.360 nan 0.000 0.521 504 M N 0.930 120.531 119.600 0.001 0.000 2.495 504 M HA 0.177 4.658 4.480 0.001 0.000 0.237 504 M C -0.238 176.082 176.300 0.033 0.000 1.131 504 M CA 0.052 55.352 55.300 0.000 0.000 1.032 504 M CB -0.416 32.175 32.600 -0.014 0.000 1.513 504 M HN -0.095 nan 8.290 nan 0.000 0.488 505 N N 1.725 120.455 118.700 0.049 0.000 2.501 505 N HA 0.408 5.148 4.740 0.001 0.000 0.245 505 N C -0.443 175.125 175.510 0.097 0.000 0.974 505 N CA -0.093 53.013 53.050 0.093 0.000 0.941 505 N CB 1.929 40.485 38.487 0.115 0.000 1.122 505 N HN 0.042 nan 8.380 nan 0.000 0.507 506 V N -0.946 119.032 119.914 0.107 0.000 3.103 506 V HA 0.834 4.954 4.120 0.001 0.000 0.318 506 V C 1.046 177.192 176.094 0.086 0.000 1.114 506 V CA -0.743 61.610 62.300 0.089 0.000 1.020 506 V CB 1.386 33.259 31.823 0.084 0.000 1.085 506 V HN 0.406 nan 8.190 nan 0.000 0.446 507 A N 0.925 123.781 122.820 0.060 0.000 1.970 507 A HA 0.317 4.638 4.320 0.001 0.000 0.216 507 A C 0.683 178.272 177.584 0.010 0.000 1.170 507 A CA 1.685 53.741 52.037 0.033 0.000 0.645 507 A CB -0.817 18.197 19.000 0.024 0.000 0.816 507 A HN 1.317 nan 8.150 nan 0.000 0.447 508 D N -4.339 116.074 120.400 0.022 0.000 2.792 508 D HA 0.187 4.828 4.640 0.001 0.000 0.335 508 D C -0.533 175.777 176.300 0.016 0.000 1.353 508 D CA -0.305 53.682 54.000 -0.021 0.000 0.839 508 D CB -0.385 40.398 40.800 -0.030 0.000 1.396 508 D HN -0.191 nan 8.370 nan 0.000 0.479 509 D N -0.178 120.197 120.400 -0.041 0.000 2.104 509 D HA -0.097 4.544 4.640 0.001 0.000 0.194 509 D C 2.033 178.381 176.300 0.081 0.000 0.994 509 D CA 2.583 56.565 54.000 -0.029 0.000 0.830 509 D CB -0.621 40.128 40.800 -0.084 0.000 0.959 509 D HN 0.509 nan 8.370 nan 0.000 0.452 510 A N 0.854 123.705 122.820 0.051 0.000 1.908 510 A HA -0.107 4.213 4.320 0.001 0.000 0.218 510 A C 2.279 179.915 177.584 0.086 0.000 1.181 510 A CA 2.533 54.606 52.037 0.061 0.000 0.627 510 A CB -0.751 18.268 19.000 0.032 0.000 0.818 510 A HN 0.261 nan 8.150 nan 0.000 0.445 511 A N -1.794 121.078 122.820 0.088 0.000 2.016 511 A HA 0.131 4.452 4.320 0.001 0.000 0.217 511 A C 1.986 179.643 177.584 0.122 0.000 1.162 511 A CA 1.141 53.226 52.037 0.081 0.000 0.662 511 A CB -0.593 18.445 19.000 0.063 0.000 0.812 511 A HN 0.675 nan 8.150 nan 0.000 0.450 512 F N 0.557 120.508 119.950 0.001 0.000 2.084 512 F HA -0.160 4.368 4.527 0.000 0.000 0.296 512 F C 2.155 177.961 175.800 0.011 0.000 1.111 512 F CA 2.028 60.034 58.000 0.010 0.000 1.224 512 F CB -0.184 38.821 39.000 0.008 0.000 0.991 512 F HN 0.025 nan 8.300 nan 0.000 0.471 513 V N 0.882 121.021 119.914 0.375 0.000 2.332 513 V HA -0.362 3.759 4.120 0.001 0.000 0.248 513 V C 2.711 178.834 176.094 0.048 0.000 1.055 513 V CA 1.982 64.404 62.300 0.203 0.000 1.038 513 V CB -1.536 30.388 31.823 0.170 0.000 0.651 513 V HN 0.541 nan 8.190 nan 0.000 0.450 514 A N -0.406 122.440 122.820 0.042 0.000 1.929 514 A HA -0.186 4.134 4.320 0.001 0.000 0.216 514 A C 2.203 179.774 177.584 -0.022 0.000 1.176 514 A CA 1.969 54.012 52.037 0.010 0.000 0.628 514 A CB -0.400 18.611 19.000 0.018 0.000 0.816 514 A HN 0.466 nan 8.150 nan 0.000 0.444 515 K N 0.402 120.775 120.400 -0.046 0.000 2.001 515 K HA 0.056 4.377 4.320 0.001 0.000 0.208 515 K C 2.048 178.578 176.600 -0.116 0.000 1.048 515 K CA 1.674 57.914 56.287 -0.078 0.000 0.932 515 K CB -0.706 31.738 32.500 -0.093 0.000 0.715 515 K HN 0.273 nan 8.250 nan 0.000 0.437 516 A N 0.162 122.860 122.820 -0.203 0.000 1.948 516 A HA -0.151 4.169 4.320 0.001 0.000 0.220 516 A C 2.364 179.894 177.584 -0.091 0.000 1.177 516 A CA 2.076 53.997 52.037 -0.193 0.000 0.636 516 A CB -0.877 17.953 19.000 -0.285 0.000 0.815 516 A HN 0.159 nan 8.150 nan 0.000 0.449 517 V N -0.489 119.388 119.914 -0.061 0.000 2.379 517 V HA -0.185 3.935 4.120 0.001 0.000 0.245 517 V C 3.043 179.121 176.094 -0.026 0.000 1.044 517 V CA 1.754 64.036 62.300 -0.030 0.000 1.036 517 V CB -1.095 30.720 31.823 -0.014 0.000 0.664 517 V HN 0.636 nan 8.190 nan 0.000 0.453 518 A N -0.182 122.621 122.820 -0.028 0.000 1.883 518 A HA -0.192 4.129 4.320 0.001 0.000 0.217 518 A C 2.217 179.789 177.584 -0.020 0.000 1.186 518 A CA 1.963 53.988 52.037 -0.020 0.000 0.624 518 A CB -0.554 18.434 19.000 -0.019 0.000 0.822 518 A HN 0.487 nan 8.150 nan 0.000 0.444 519 L N -0.984 120.222 121.223 -0.027 0.000 2.005 519 L HA -0.169 4.172 4.340 0.001 0.000 0.207 519 L C 3.141 180.006 176.870 -0.009 0.000 1.072 519 L CA 1.109 55.939 54.840 -0.016 0.000 0.744 519 L CB -0.590 41.456 42.059 -0.021 0.000 0.895 519 L HN 0.437 nan 8.230 nan 0.000 0.433 520 A N 0.094 122.903 122.820 -0.017 0.000 1.933 520 A HA -0.210 4.111 4.320 0.001 0.000 0.218 520 A C 2.431 180.006 177.584 -0.014 0.000 1.175 520 A CA 2.037 54.067 52.037 -0.013 0.000 0.628 520 A CB -0.659 18.330 19.000 -0.019 0.000 0.814 520 A HN 0.540 nan 8.150 nan 0.000 0.444 521 S N -1.232 114.459 115.700 -0.015 0.000 2.522 521 S HA 0.006 4.477 4.470 0.001 0.000 0.227 521 S C 0.385 174.978 174.600 -0.012 0.000 0.986 521 S CA 0.692 58.884 58.200 -0.014 0.000 0.929 521 S CB -0.052 63.140 63.200 -0.013 0.000 0.769 521 S HN 0.436 nan 8.310 nan 0.000 0.529 522 D N 2.130 122.523 120.400 -0.010 0.000 2.432 522 D HA 0.333 4.974 4.640 0.001 0.000 0.265 522 D C -1.856 174.440 176.300 -0.006 0.000 1.160 522 D CA -2.387 51.608 54.000 -0.008 0.000 0.911 522 D CB 1.766 42.562 40.800 -0.006 0.000 1.052 522 D HN 0.030 nan 8.370 nan 0.000 0.508 523 P HA -0.086 nan 4.420 nan 0.000 0.220 523 P C 1.128 178.420 177.300 -0.013 0.000 1.148 523 P CA 0.548 63.639 63.100 -0.015 0.000 0.803 523 P CB 0.394 32.080 31.700 -0.024 0.000 0.782 524 A N 0.743 123.558 122.820 -0.010 0.000 1.930 524 A HA 0.020 4.341 4.320 0.001 0.000 0.217 524 A C 2.482 180.068 177.584 0.003 0.000 1.175 524 A CA 1.879 53.912 52.037 -0.007 0.000 0.627 524 A CB -1.425 17.570 19.000 -0.007 0.000 0.815 524 A HN 0.234 nan 8.150 nan 0.000 0.443 525 A N -0.831 121.993 122.820 0.005 0.000 1.968 525 A HA 0.064 4.385 4.320 0.001 0.000 0.217 525 A C 2.039 179.641 177.584 0.030 0.000 1.169 525 A CA 1.576 53.621 52.037 0.012 0.000 0.638 525 A CB -0.430 18.573 19.000 0.006 0.000 0.812 525 A HN 0.554 nan 8.150 nan 0.000 0.446 526 L N -0.582 120.664 121.223 0.038 0.000 2.179 526 L HA -0.007 4.333 4.340 0.001 0.000 0.208 526 L C 2.322 179.278 176.870 0.144 0.000 1.096 526 L CA 2.450 57.343 54.840 0.089 0.000 0.779 526 L CB -1.066 41.033 42.059 0.067 0.000 0.922 526 L HN 0.316 nan 8.230 nan 0.000 0.443 527 T N -0.304 114.278 114.554 0.047 0.000 2.777 527 T HA -0.080 4.271 4.350 0.001 0.000 0.266 527 T C 1.900 176.638 174.700 0.063 0.000 1.040 527 T CA 1.185 63.297 62.100 0.020 0.000 1.141 527 T CB -0.290 68.563 68.868 -0.025 0.000 0.868 527 T HN 0.482 nan 8.240 nan 0.000 0.444 528 A N 1.215 124.062 122.820 0.044 0.000 1.933 528 A HA -0.026 4.295 4.320 0.001 0.000 0.218 528 A C 2.208 179.819 177.584 0.045 0.000 1.175 528 A CA 1.302 53.359 52.037 0.034 0.000 0.628 528 A CB -0.711 18.300 19.000 0.018 0.000 0.814 528 A HN 0.441 nan 8.150 nan 0.000 0.444 529 L N -0.950 120.310 121.223 0.062 0.000 2.109 529 L HA -0.120 4.221 4.340 0.001 0.000 0.207 529 L C 2.273 179.154 176.870 0.018 0.000 1.086 529 L CA 2.026 56.885 54.840 0.032 0.000 0.760 529 L CB -0.758 41.312 42.059 0.019 0.000 0.910 529 L HN 0.523 nan 8.230 nan 0.000 0.437 530 H N -0.574 118.486 119.070 -0.018 0.000 2.387 530 H HA -0.085 4.472 4.556 0.001 0.000 0.299 530 H C 2.060 177.368 175.328 -0.034 0.000 1.099 530 H CA 1.324 57.357 56.048 -0.025 0.000 1.315 530 H CB 0.039 29.788 29.762 -0.022 0.000 1.380 530 H HN 0.550 nan 8.280 nan 0.000 0.513 531 A N 1.110 123.984 122.820 0.089 0.000 1.969 531 A HA -0.150 4.171 4.320 0.001 0.000 0.218 531 A C 2.414 180.001 177.584 0.005 0.000 1.169 531 A CA 1.274 53.330 52.037 0.031 0.000 0.635 531 A CB -0.380 18.633 19.000 0.022 0.000 0.810 531 A HN 0.305 nan 8.150 nan 0.000 0.445 532 R N -0.468 120.033 120.500 0.002 0.000 2.119 532 R HA -0.004 4.336 4.340 0.001 0.000 0.222 532 R C 1.692 177.978 176.300 -0.024 0.000 1.088 532 R CA 1.279 57.372 56.100 -0.011 0.000 0.984 532 R CB -0.292 30.002 30.300 -0.011 0.000 0.884 532 R HN 0.236 nan 8.270 nan 0.000 0.447 533 V N 1.516 121.403 119.914 -0.044 0.000 2.392 533 V HA -0.246 3.874 4.120 0.001 0.000 0.249 533 V C 1.681 177.745 176.094 -0.049 0.000 1.059 533 V CA 2.272 64.537 62.300 -0.059 0.000 1.051 533 V CB -0.510 31.241 31.823 -0.120 0.000 0.658 533 V HN 0.398 nan 8.190 nan 0.000 0.455 534 D N -0.488 119.879 120.400 -0.055 0.000 2.117 534 D HA -0.121 4.520 4.640 0.001 0.000 0.198 534 D C 2.074 178.350 176.300 -0.040 0.000 0.982 534 D CA 1.084 55.041 54.000 -0.071 0.000 0.828 534 D CB -0.032 40.725 40.800 -0.070 0.000 0.967 534 D HN 0.201 nan 8.370 nan 0.000 0.464 535 V N 0.485 120.387 119.914 -0.020 0.000 2.287 535 V HA -0.231 3.889 4.120 0.001 0.000 0.248 535 V C 2.512 178.614 176.094 0.012 0.000 1.053 535 V CA 1.299 63.597 62.300 -0.003 0.000 1.027 535 V CB -0.443 31.379 31.823 -0.002 0.000 0.646 535 V HN 0.307 nan 8.190 nan 0.000 0.447 536 L N -0.485 120.743 121.223 0.008 0.000 2.156 536 L HA -0.120 4.221 4.340 0.001 0.000 0.208 536 L C 2.703 179.609 176.870 0.060 0.000 1.095 536 L CA 1.445 56.296 54.840 0.018 0.000 0.770 536 L CB -0.614 41.446 42.059 0.000 0.000 0.914 536 L HN 0.272 nan 8.230 nan 0.000 0.439 537 R N 0.549 121.096 120.500 0.078 0.000 2.120 537 R HA -0.194 4.146 4.340 0.001 0.000 0.234 537 R C 2.349 178.756 176.300 0.178 0.000 1.123 537 R CA 1.444 57.648 56.100 0.174 0.000 0.975 537 R CB -0.007 30.297 30.300 0.006 0.000 0.866 537 R HN 0.232 nan 8.270 nan 0.000 0.446 538 R N -0.595 119.965 120.500 0.101 0.000 2.080 538 R HA 0.070 4.410 4.340 0.001 0.000 0.222 538 R C 2.041 178.478 176.300 0.229 0.000 1.107 538 R CA 1.202 57.396 56.100 0.157 0.000 0.980 538 R CB -0.047 30.302 30.300 0.082 0.000 0.879 538 R HN 0.248 nan 8.270 nan 0.000 0.439 539 A N 0.256 123.151 122.820 0.124 0.000 1.903 539 A HA 0.034 4.354 4.320 0.001 0.000 0.213 539 A C 1.237 178.836 177.584 0.026 0.000 1.185 539 A CA 0.783 52.889 52.037 0.114 0.000 0.628 539 A CB -0.406 18.631 19.000 0.062 0.000 0.830 539 A HN 0.482 nan 8.150 nan 0.000 0.446 540 S N -1.185 114.477 115.700 -0.063 0.000 2.626 540 S HA 0.410 4.880 4.470 0.001 0.000 0.257 540 S C 1.278 175.632 174.600 -0.409 0.000 1.288 540 S CA 0.130 58.243 58.200 -0.145 0.000 0.980 540 S CB 0.832 63.976 63.200 -0.094 0.000 0.975 540 S HN 0.581 nan 8.310 nan 0.000 0.577 541 G N -0.654 107.982 108.800 -0.273 0.000 2.683 541 G HA2 0.067 4.028 3.960 0.001 0.000 0.213 541 G HA3 0.067 4.028 3.960 0.001 0.000 0.213 541 G C 1.159 175.928 174.900 -0.218 0.000 1.142 541 G CA 0.378 45.319 45.100 -0.265 0.000 0.793 541 G HN 0.580 nan 8.290 nan 0.000 0.534 542 V N 0.229 119.989 119.914 -0.256 0.000 2.370 542 V HA -0.148 3.972 4.120 0.001 0.000 0.252 542 V C 1.743 177.525 176.094 -0.519 0.000 1.068 542 V CA 1.440 63.493 62.300 -0.411 0.000 1.061 542 V CB -0.514 30.943 31.823 -0.611 0.000 0.656 542 V HN 0.422 nan 8.190 nan 0.000 0.455 543 F N -1.612 118.313 119.950 -0.041 0.000 2.772 543 F HA 0.328 4.856 4.527 0.001 0.000 0.302 543 F C 0.712 176.620 175.800 0.180 0.000 1.136 543 F CA -0.359 57.670 58.000 0.049 0.000 1.322 543 F CB -0.003 39.136 39.000 0.231 0.000 0.967 543 F HN 0.209 nan 8.300 nan 0.000 0.513 544 H N 1.095 120.261 119.070 0.160 0.000 2.700 544 H HA 0.194 4.751 4.556 0.001 0.000 0.269 544 H C 1.093 176.484 175.328 0.105 0.000 1.222 544 H CA -0.646 55.477 56.048 0.126 0.000 1.254 544 H CB 0.878 30.708 29.762 0.112 0.000 1.413 544 H HN 0.126 nan 8.280 nan 0.000 0.507 545 M N 1.051 120.742 119.600 0.152 0.000 2.394 545 M HA -0.096 4.384 4.480 0.001 0.000 0.264 545 M C 0.912 177.272 176.300 0.100 0.000 1.073 545 M CA 0.735 56.070 55.300 0.057 0.000 1.111 545 M CB -0.237 32.302 32.600 -0.101 0.000 1.401 545 M HN 0.592 nan 8.290 nan 0.000 0.448 546 D N 0.776 121.231 120.400 0.092 0.000 2.087 546 D HA -0.117 4.523 4.640 0.001 0.000 0.192 546 D C 2.070 178.444 176.300 0.123 0.000 0.993 546 D CA 1.887 55.935 54.000 0.080 0.000 0.828 546 D CB -0.665 40.160 40.800 0.042 0.000 0.968 546 D HN 0.414 nan 8.370 nan 0.000 0.448 547 G N -0.479 108.414 108.800 0.156 0.000 2.432 547 G HA2 -0.263 3.698 3.960 0.001 0.000 0.219 547 G HA3 -0.263 3.698 3.960 0.001 0.000 0.219 547 G C 1.561 176.553 174.900 0.153 0.000 1.135 547 G CA 0.226 45.413 45.100 0.146 0.000 0.767 547 G HN 0.251 nan 8.290 nan 0.000 0.550 548 F N 1.902 121.876 119.950 0.040 0.000 2.146 548 F HA 0.098 4.625 4.527 0.002 0.000 0.298 548 F C 2.864 178.686 175.800 0.037 0.000 1.096 548 F CA 1.279 59.289 58.000 0.017 0.000 1.275 548 F CB 0.058 39.035 39.000 -0.038 0.000 1.008 548 F HN 0.227 nan 8.300 nan 0.000 0.480 549 A N 0.048 123.056 122.820 0.314 0.000 1.902 549 A HA -0.216 4.105 4.320 0.001 0.000 0.217 549 A C 1.880 179.578 177.584 0.190 0.000 1.181 549 A CA 2.058 54.232 52.037 0.229 0.000 0.623 549 A CB -0.964 18.110 19.000 0.124 0.000 0.818 549 A HN 0.414 nan 8.150 nan 0.000 0.443 550 D N -0.248 120.230 120.400 0.130 0.000 2.117 550 D HA -0.146 4.495 4.640 0.001 0.000 0.197 550 D C 1.628 177.966 176.300 0.065 0.000 0.987 550 D CA 1.725 55.779 54.000 0.089 0.000 0.829 550 D CB -0.426 40.414 40.800 0.067 0.000 0.961 550 D HN 0.623 nan 8.370 nan 0.000 0.460 551 D N -0.623 119.798 120.400 0.036 0.000 2.091 551 D HA -0.160 4.480 4.640 0.001 0.000 0.199 551 D C 1.924 178.214 176.300 -0.017 0.000 0.980 551 D CA 0.485 54.467 54.000 -0.029 0.000 0.831 551 D CB -0.352 40.380 40.800 -0.113 0.000 0.987 551 D HN 0.040 nan 8.370 nan 0.000 0.460 552 F N 0.959 120.811 119.950 -0.162 0.000 2.087 552 F HA -0.118 4.409 4.527 0.002 0.000 0.299 552 F C 2.243 178.006 175.800 -0.061 0.000 1.100 552 F CA 2.372 60.293 58.000 -0.132 0.000 1.226 552 F CB -0.707 38.265 39.000 -0.048 0.000 0.983 552 F HN 0.096 nan 8.300 nan 0.000 0.479 553 G N -1.020 107.844 108.800 0.106 0.000 2.402 553 G HA2 -0.151 3.809 3.960 0.001 0.000 0.216 553 G HA3 -0.151 3.809 3.960 0.001 0.000 0.216 553 G C 1.781 176.662 174.900 -0.032 0.000 1.162 553 G CA 0.710 45.834 45.100 0.040 0.000 0.777 553 G HN 0.611 nan 8.290 nan 0.000 0.539 554 A N 0.297 123.107 122.820 -0.017 0.000 1.930 554 A HA 0.146 4.466 4.320 0.001 0.000 0.217 554 A C 2.331 179.877 177.584 -0.063 0.000 1.175 554 A CA 1.474 53.502 52.037 -0.016 0.000 0.627 554 A CB -0.360 18.640 19.000 -0.000 0.000 0.815 554 A HN 0.403 nan 8.150 nan 0.000 0.443 555 L N -0.063 121.081 121.223 -0.131 0.000 1.994 555 L HA -0.132 4.208 4.340 0.001 0.000 0.208 555 L C 2.349 179.092 176.870 -0.212 0.000 1.071 555 L CA 1.672 56.406 54.840 -0.178 0.000 0.745 555 L CB -0.366 41.544 42.059 -0.248 0.000 0.892 555 L HN 0.412 nan 8.230 nan 0.000 0.431 556 L N -0.855 120.191 121.223 -0.296 0.000 2.043 556 L HA -0.307 4.034 4.340 0.001 0.000 0.212 556 L C 2.684 179.446 176.870 -0.181 0.000 1.075 556 L CA 1.795 56.474 54.840 -0.269 0.000 0.752 556 L CB -0.780 41.107 42.059 -0.286 0.000 0.891 556 L HN 0.456 nan 8.230 nan 0.000 0.432 557 Q N -0.481 119.256 119.800 -0.104 0.000 2.079 557 Q HA -0.157 4.183 4.340 0.001 0.000 0.200 557 Q C 2.468 178.531 176.000 0.106 0.000 0.974 557 Q CA 1.460 57.275 55.803 0.019 0.000 0.840 557 Q CB -0.244 28.593 28.738 0.165 0.000 0.898 557 Q HN 0.563 nan 8.270 nan 0.000 0.430 558 A N 0.988 123.830 122.820 0.036 0.000 1.902 558 A HA -0.185 4.135 4.320 0.001 0.000 0.217 558 A C 2.046 179.638 177.584 0.012 0.000 1.181 558 A CA 1.197 53.254 52.037 0.033 0.000 0.623 558 A CB -0.580 18.415 19.000 -0.009 0.000 0.818 558 A HN 0.341 nan 8.150 nan 0.000 0.443 559 L N -0.464 120.725 121.223 -0.057 0.000 2.093 559 L HA 0.001 4.342 4.340 0.001 0.000 0.208 559 L C 2.587 179.483 176.870 0.044 0.000 1.085 559 L CA 2.049 56.837 54.840 -0.085 0.000 0.755 559 L CB -0.669 41.247 42.059 -0.237 0.000 0.904 559 L HN 0.325 nan 8.230 nan 0.000 0.435 560 A N -0.566 122.266 122.820 0.020 0.000 1.929 560 A HA -0.134 4.187 4.320 0.001 0.000 0.216 560 A C 2.374 180.121 177.584 0.272 0.000 1.176 560 A CA 1.258 53.337 52.037 0.069 0.000 0.628 560 A CB -0.431 18.447 19.000 -0.202 0.000 0.816 560 A HN 0.475 nan 8.150 nan 0.000 0.444 561 R N -0.830 119.849 120.500 0.297 0.000 2.096 561 R HA -0.068 4.273 4.340 0.001 0.000 0.235 561 R C 2.366 178.740 176.300 0.124 0.000 1.127 561 R CA 1.143 57.392 56.100 0.247 0.000 0.968 561 R CB -0.336 30.069 30.300 0.175 0.000 0.861 561 R HN 0.381 nan 8.270 nan 0.000 0.440 562 R N 0.634 121.173 120.500 0.065 0.000 2.200 562 R HA -0.130 4.211 4.340 0.001 0.000 0.234 562 R C 0.632 176.843 176.300 -0.149 0.000 1.127 562 R CA 1.344 57.411 56.100 -0.055 0.000 0.989 562 R CB -0.044 30.194 30.300 -0.103 0.000 0.869 562 R HN 0.456 nan 8.270 nan 0.000 0.459 563 H N -1.706 117.397 119.070 0.054 0.000 2.505 563 H HA 0.177 4.734 4.556 0.001 0.000 0.286 563 H C 0.757 176.134 175.328 0.082 0.000 1.072 563 H CA 0.698 56.782 56.048 0.059 0.000 1.141 563 H CB 1.024 30.816 29.762 0.049 0.000 1.550 563 H HN 0.512 nan 8.280 nan 0.000 0.547 564 G N 0.669 109.571 108.800 0.169 0.000 2.184 564 G HA2 -0.229 3.732 3.960 0.001 0.000 0.206 564 G HA3 -0.229 3.732 3.960 0.001 0.000 0.206 564 G C -0.103 174.910 174.900 0.189 0.000 0.995 564 G CA -0.233 44.950 45.100 0.139 0.000 0.651 564 G HN 0.335 nan 8.290 nan 0.000 0.511 565 W N 1.267 122.587 121.300 0.034 0.000 2.251 565 W HA 0.593 5.253 4.660 0.001 0.000 0.327 565 W C 0.874 177.401 176.519 0.013 0.000 1.361 565 W CA 0.213 57.572 57.345 0.023 0.000 1.234 565 W CB 0.397 29.872 29.460 0.025 0.000 1.212 565 W HN 0.020 nan 8.180 nan 0.000 0.557 566 L N 6.089 127.041 121.223 -0.453 0.000 2.640 566 L HA 0.410 4.751 4.340 0.001 0.000 0.230 566 L C 1.271 177.665 176.870 -0.794 0.000 1.123 566 L CA 0.848 55.416 54.840 -0.453 0.000 0.900 566 L CB -0.753 41.150 42.059 -0.260 0.000 1.146 566 L HN 0.808 nan 8.230 nan 0.000 0.484 567 G N -0.707 107.037 108.800 -1.759 0.000 2.362 567 G HA2 -0.101 3.860 3.960 0.001 0.000 0.517 567 G HA3 -0.101 3.860 3.960 0.001 0.000 0.517 567 G C -0.491 173.796 174.900 -1.023 0.000 1.256 567 G CA -0.910 43.108 45.100 -1.803 0.000 1.027 567 G HN -0.215 nan 8.290 nan 0.000 0.491 568 I N 0.000 120.341 120.570 -0.382 0.000 2.984 568 I HA 0.000 4.171 4.170 0.001 0.000 0.288 568 I CA 0.000 61.284 61.300 -0.027 0.000 1.566 568 I CB 0.000 38.017 38.000 0.029 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494