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 1t1i_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAPTAYTPLD VAQAYQFPEG LDGQGQCIAI IELGGGYDET SLAQYFASLG DATA SEQUENCE VSAPQVVSVS VDGATNQPTG DPNGPDGEVE LDIEVAGALA PGAKIAVYFA DATA SEQUENCE PNTDAGFLNA ITTAVHDPTH KPSIVSISAG GPEDSWAPAS IAAMNRAFLD DATA SEQUENCE AAALGVTVLA AAGDSGSTDG EQDGLYHVDF PAASPYVLAC GGTRLVASAG DATA SEQUENCE RIERETVWND GPDGGSTGGG VSRIFPLPSW QERANVPPSA NPGAGSGRGV DATA SEQUENCE PDVAGNADPA TGYEVVIDGE TTVIGGTSAV APLFAALVAR INQKLGKPVG DATA SEQUENCE YLNPTLYQLP PEVFHDITEG NNDIANRARI YQAGPGWDPC TGLGSPIGIR DATA SEQUENCE LLQALLP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.581 177.584 -0.004 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 2 A N 3.908 126.718 122.820 -0.016 0.000 2.375 2 A HA 0.900 5.245 4.320 0.043 0.000 0.295 2 A C -2.859 174.684 177.584 -0.069 0.000 1.066 2 A CA -1.565 50.461 52.037 -0.018 0.000 0.722 2 A CB 1.120 20.118 19.000 -0.004 0.000 1.206 2 A HN 0.629 nan 8.150 nan 0.000 0.435 3 P HA 0.070 nan 4.420 nan 0.000 0.268 3 P C 0.687 177.791 177.300 -0.327 0.000 1.208 3 P CA 0.451 63.392 63.100 -0.264 0.000 0.777 3 P CB 0.728 32.166 31.700 -0.436 0.000 0.875 4 T N -1.633 112.726 114.554 -0.326 0.000 3.023 4 T HA 0.471 4.847 4.350 0.043 0.000 0.249 4 T C 0.661 175.148 174.700 -0.354 0.000 1.050 4 T CA 0.199 62.137 62.100 -0.270 0.000 1.088 4 T CB 0.191 68.962 68.868 -0.162 0.000 0.946 4 T HN 0.668 nan 8.240 nan 0.000 0.480 5 A N 0.087 122.626 122.820 -0.469 0.000 2.594 5 A HA 0.743 5.088 4.320 0.043 0.000 0.295 5 A C -1.979 175.272 177.584 -0.556 0.000 1.071 5 A CA -1.098 50.679 52.037 -0.434 0.000 0.685 5 A CB 1.187 20.065 19.000 -0.204 0.000 1.285 5 A HN 0.326 nan 8.150 nan 0.000 0.405 6 Y N -0.088 120.095 120.300 -0.195 0.000 2.570 6 Y HA 0.629 5.204 4.550 0.042 0.000 0.345 6 Y C 1.091 176.938 175.900 -0.090 0.000 1.014 6 Y CA -0.285 57.708 58.100 -0.178 0.000 1.063 6 Y CB 2.329 40.618 38.460 -0.285 0.000 1.272 6 Y HN 0.811 nan 8.280 nan 0.000 0.477 7 T N -2.050 112.584 114.554 0.134 0.000 2.874 7 T HA 0.256 4.631 4.350 0.043 0.000 0.281 7 T C -2.284 172.509 174.700 0.154 0.000 0.994 7 T CA -2.100 60.080 62.100 0.132 0.000 1.015 7 T CB 1.558 70.447 68.868 0.036 0.000 1.028 7 T HN 0.298 nan 8.240 nan 0.000 0.523 8 P HA -0.001 nan 4.420 nan 0.000 0.218 8 P C 1.630 178.924 177.300 -0.011 0.000 1.148 8 P CA 0.842 64.050 63.100 0.181 0.000 0.822 8 P CB -0.139 31.668 31.700 0.179 0.000 0.784 9 L N -0.643 120.565 121.223 -0.026 0.000 2.083 9 L HA -0.176 4.190 4.340 0.043 0.000 0.209 9 L C 1.932 178.711 176.870 -0.152 0.000 1.083 9 L CA 1.476 56.260 54.840 -0.092 0.000 0.752 9 L CB -1.059 40.965 42.059 -0.058 0.000 0.899 9 L HN 0.030 nan 8.230 nan 0.000 0.433 10 D N -0.008 120.317 120.400 -0.126 0.000 2.117 10 D HA -0.127 4.539 4.640 0.043 0.000 0.198 10 D C 2.348 178.417 176.300 -0.385 0.000 0.982 10 D CA 1.187 55.077 54.000 -0.183 0.000 0.828 10 D CB -0.006 40.761 40.800 -0.056 0.000 0.967 10 D HN 0.177 nan 8.370 nan 0.000 0.464 11 V N 1.748 121.398 119.914 -0.440 0.000 2.358 11 V HA -0.188 3.958 4.120 0.043 0.000 0.246 11 V C 2.630 178.319 176.094 -0.675 0.000 1.047 11 V CA 1.637 63.548 62.300 -0.649 0.000 1.035 11 V CB -0.764 30.805 31.823 -0.424 0.000 0.658 11 V HN 0.149 nan 8.190 nan 0.000 0.452 12 A N -0.190 122.258 122.820 -0.620 0.000 1.933 12 A HA -0.303 4.042 4.320 0.043 0.000 0.218 12 A C 2.197 179.473 177.584 -0.514 0.000 1.175 12 A CA 2.221 53.644 52.037 -1.023 0.000 0.628 12 A CB -0.523 17.884 19.000 -0.989 0.000 0.814 12 A HN 0.549 nan 8.150 nan 0.000 0.444 13 Q N -0.017 119.583 119.800 -0.333 0.000 2.050 13 Q HA -0.028 4.338 4.340 0.043 0.000 0.202 13 Q C 2.039 177.936 176.000 -0.172 0.000 0.980 13 Q CA 2.275 57.968 55.803 -0.182 0.000 0.840 13 Q CB -0.649 27.995 28.738 -0.157 0.000 0.898 13 Q HN 0.533 nan 8.270 nan 0.000 0.424 14 A N -0.605 122.029 122.820 -0.310 0.000 1.940 14 A HA -0.166 4.179 4.320 0.043 0.000 0.219 14 A C 1.599 179.107 177.584 -0.127 0.000 1.176 14 A CA 1.454 53.302 52.037 -0.316 0.000 0.631 14 A CB -0.928 17.723 19.000 -0.583 0.000 0.814 14 A HN 0.636 nan 8.150 nan 0.000 0.446 15 Y N -0.555 119.712 120.300 -0.056 0.000 2.462 15 Y HA 0.120 4.697 4.550 0.045 0.000 0.293 15 Y C 0.265 176.271 175.900 0.176 0.000 1.195 15 Y CA -0.046 58.111 58.100 0.095 0.000 1.276 15 Y CB -0.193 38.436 38.460 0.281 0.000 1.082 15 Y HN 0.439 nan 8.280 nan 0.000 0.514 16 Q N -0.113 119.819 119.800 0.221 0.000 2.452 16 Q HA -0.231 4.134 4.340 0.043 0.000 0.318 16 Q C -0.829 175.346 176.000 0.292 0.000 1.386 16 Q CA 0.012 55.923 55.803 0.180 0.000 0.872 16 Q CB -1.784 27.019 28.738 0.109 0.000 1.151 16 Q HN 0.305 nan 8.270 nan 0.000 0.417 17 F N 1.744 121.728 119.950 0.057 0.000 2.553 17 F HA 0.112 4.662 4.527 0.039 0.000 0.356 17 F C -1.188 174.621 175.800 0.015 0.000 1.142 17 F CA -1.896 56.132 58.000 0.048 0.000 1.322 17 F CB -0.068 38.971 39.000 0.065 0.000 1.126 17 F HN 0.086 nan 8.300 nan 0.000 0.599 18 P HA -0.009 nan 4.420 nan 0.000 0.267 18 P C -0.386 176.959 177.300 0.075 0.000 1.209 18 P CA -0.034 63.101 63.100 0.060 0.000 0.763 18 P CB 0.664 32.361 31.700 -0.006 0.000 0.816 19 E N 1.683 121.915 120.200 0.053 0.000 2.374 19 E HA 0.268 4.643 4.350 0.043 0.000 0.260 19 E C 1.449 178.065 176.600 0.026 0.000 1.101 19 E CA 0.189 56.614 56.400 0.042 0.000 0.907 19 E CB 0.177 29.893 29.700 0.028 0.000 1.014 19 E HN 0.769 nan 8.360 nan 0.000 0.427 20 G N 1.002 109.815 108.800 0.022 0.000 2.162 20 G HA2 -0.276 3.710 3.960 0.043 0.000 0.260 20 G HA3 -0.276 3.710 3.960 0.043 0.000 0.260 20 G C 0.007 174.914 174.900 0.010 0.000 0.976 20 G CA 0.443 45.550 45.100 0.012 0.000 0.655 20 G HN 0.293 nan 8.290 nan 0.000 0.533 21 L N 0.438 121.673 121.223 0.019 0.000 2.385 21 L HA 0.606 4.972 4.340 0.043 0.000 0.273 21 L C -0.008 176.877 176.870 0.025 0.000 0.990 21 L CA -0.461 54.387 54.840 0.014 0.000 0.821 21 L CB 2.001 44.064 42.059 0.007 0.000 1.279 21 L HN 0.192 nan 8.230 nan 0.000 0.412 22 D N 0.284 120.693 120.400 0.013 0.000 2.556 22 D HA 0.188 4.854 4.640 0.043 0.000 0.237 22 D C 0.984 177.287 176.300 0.005 0.000 1.296 22 D CA 0.336 54.344 54.000 0.014 0.000 0.807 22 D CB 1.033 41.831 40.800 -0.003 0.000 1.084 22 D HN 0.684 nan 8.370 nan 0.000 0.510 23 G N 0.721 109.523 108.800 0.003 0.000 2.141 23 G HA2 -0.330 3.656 3.960 0.043 0.000 0.242 23 G HA3 -0.330 3.656 3.960 0.043 0.000 0.242 23 G C 0.149 175.046 174.900 -0.006 0.000 0.982 23 G CA 0.137 45.237 45.100 -0.001 0.000 0.662 23 G HN 0.567 nan 8.290 nan 0.000 0.527 24 Q N 0.056 119.851 119.800 -0.007 0.000 2.283 24 Q HA 0.422 4.788 4.340 0.043 0.000 0.301 24 Q C 1.616 177.614 176.000 -0.004 0.000 1.063 24 Q CA 2.204 58.003 55.803 -0.008 0.000 0.952 24 Q CB 0.159 28.893 28.738 -0.008 0.000 1.166 24 Q HN 1.819 nan 8.270 nan 0.000 0.381 25 G N 2.593 111.393 108.800 -0.000 0.000 2.176 25 G HA2 -0.207 3.779 3.960 0.043 0.000 0.253 25 G HA3 -0.207 3.779 3.960 0.043 0.000 0.253 25 G C -0.184 174.722 174.900 0.009 0.000 0.979 25 G CA 0.231 45.334 45.100 0.004 0.000 0.641 25 G HN 0.577 nan 8.290 nan 0.000 0.530 26 Q N -0.530 119.275 119.800 0.008 0.000 2.248 26 Q HA 0.662 5.028 4.340 0.043 0.000 0.263 26 Q C -0.219 175.795 176.000 0.023 0.000 1.007 26 Q CA -0.400 55.411 55.803 0.013 0.000 0.877 26 Q CB 2.074 30.816 28.738 0.007 0.000 1.315 26 Q HN 0.612 nan 8.270 nan 0.000 0.454 27 C N 2.271 121.592 119.300 0.035 0.000 2.431 27 C HA 0.668 5.154 4.460 0.043 0.000 0.321 27 C C -0.795 174.225 174.990 0.050 0.000 1.202 27 C CA -0.526 58.523 59.018 0.052 0.000 1.398 27 C CB -0.219 27.574 27.740 0.088 0.000 2.047 27 C HN 0.766 nan 8.230 nan 0.000 0.465 28 I N 5.714 126.311 120.570 0.044 0.000 2.339 28 I HA 0.512 4.708 4.170 0.043 0.000 0.290 28 I C 0.682 176.840 176.117 0.067 0.000 0.994 28 I CA -0.031 61.295 61.300 0.043 0.000 1.191 28 I CB 1.567 39.584 38.000 0.027 0.000 1.343 28 I HN 0.841 nan 8.210 nan 0.000 0.458 29 A N 8.024 130.896 122.820 0.087 0.000 2.309 29 A HA 0.782 5.128 4.320 0.043 0.000 0.298 29 A C -0.460 177.182 177.584 0.097 0.000 1.165 29 A CA -0.332 51.803 52.037 0.164 0.000 0.821 29 A CB 0.395 19.440 19.000 0.075 0.000 1.102 29 A HN 0.691 nan 8.150 nan 0.000 0.500 30 I N 3.628 124.271 120.570 0.122 0.000 2.418 30 I HA 0.273 4.469 4.170 0.043 0.000 0.287 30 I C -0.763 175.372 176.117 0.031 0.000 1.008 30 I CA -0.599 60.722 61.300 0.034 0.000 1.104 30 I CB 1.647 39.627 38.000 -0.032 0.000 1.264 30 I HN 0.417 nan 8.210 nan 0.000 0.438 31 I N 5.839 126.418 120.570 0.015 0.000 2.365 31 I HA 0.380 4.575 4.170 0.043 0.000 0.291 31 I C 0.062 176.119 176.117 -0.100 0.000 1.004 31 I CA -0.342 60.957 61.300 -0.001 0.000 1.311 31 I CB 0.953 39.004 38.000 0.085 0.000 1.401 31 I HN 0.514 nan 8.210 nan 0.000 0.491 32 E N 6.601 126.695 120.200 -0.177 0.000 2.292 32 E HA 0.398 4.773 4.350 0.043 0.000 0.272 32 E C -0.142 176.436 176.600 -0.038 0.000 0.881 32 E CA -0.524 55.785 56.400 -0.152 0.000 0.754 32 E CB 2.846 32.387 29.700 -0.266 0.000 1.201 32 E HN 0.462 nan 8.360 nan 0.000 0.425 33 L N 0.655 121.863 121.223 -0.026 0.000 2.857 33 L HA 0.461 4.827 4.340 0.043 0.000 0.249 33 L C 0.715 177.630 176.870 0.076 0.000 1.172 33 L CA -0.167 54.675 54.840 0.004 0.000 0.980 33 L CB 0.556 42.541 42.059 -0.122 0.000 1.299 33 L HN 0.561 nan 8.230 nan 0.000 0.535 34 G N -1.685 107.205 108.800 0.150 0.000 2.441 34 G HA2 0.472 4.457 3.960 0.043 0.000 0.294 34 G HA3 0.472 4.457 3.960 0.043 0.000 0.294 34 G C -0.239 174.757 174.900 0.161 0.000 1.393 34 G CA -0.026 45.146 45.100 0.121 0.000 0.796 34 G HN 0.178 nan 8.290 nan 0.000 0.494 35 G N -1.252 107.586 108.800 0.063 0.000 2.598 35 G HA2 0.494 4.479 3.960 0.043 0.000 0.269 35 G HA3 0.494 4.479 3.960 0.043 0.000 0.269 35 G C 0.746 175.638 174.900 -0.012 0.000 1.289 35 G CA 1.104 46.228 45.100 0.039 0.000 0.926 35 G HN 2.654 nan 8.290 nan 0.000 0.567 36 G N -2.818 106.003 108.800 0.035 0.000 2.428 36 G HA2 0.842 4.827 3.960 0.043 0.000 0.304 36 G HA3 0.842 4.827 3.960 0.043 0.000 0.304 36 G C -1.075 173.896 174.900 0.119 0.000 1.303 36 G CA 0.265 45.339 45.100 -0.043 0.000 0.825 36 G HN 2.252 nan 8.290 nan 0.000 0.484 37 Y N -0.443 119.877 120.300 0.033 0.000 2.609 37 Y HA 0.793 5.369 4.550 0.042 0.000 0.342 37 Y C -1.121 174.776 175.900 -0.005 0.000 1.058 37 Y CA -1.392 56.723 58.100 0.025 0.000 1.055 37 Y CB 1.903 40.401 38.460 0.065 0.000 1.292 37 Y HN 0.637 nan 8.280 nan 0.000 0.476 38 D N 0.746 121.241 120.400 0.157 0.000 2.481 38 D HA 0.171 4.836 4.640 0.043 0.000 0.244 38 D C -0.084 176.321 176.300 0.176 0.000 1.057 38 D CA -0.638 53.405 54.000 0.072 0.000 0.848 38 D CB 2.198 43.006 40.800 0.013 0.000 1.388 38 D HN 0.690 nan 8.370 nan 0.000 0.475 39 E N 1.159 121.448 120.200 0.148 0.000 2.204 39 E HA -0.107 4.269 4.350 0.043 0.000 0.195 39 E C 1.572 178.227 176.600 0.092 0.000 0.990 39 E CA 1.104 57.597 56.400 0.155 0.000 0.821 39 E CB -0.344 29.432 29.700 0.127 0.000 0.750 39 E HN 0.578 nan 8.360 nan 0.000 0.477 40 T N 1.161 115.750 114.554 0.059 0.000 2.674 40 T HA -0.109 4.266 4.350 0.043 0.000 0.265 40 T C 2.160 176.874 174.700 0.024 0.000 1.039 40 T CA 1.635 63.757 62.100 0.037 0.000 1.150 40 T CB -0.193 68.688 68.868 0.022 0.000 0.864 40 T HN 0.111 nan 8.240 nan 0.000 0.427 41 S N 1.312 117.019 115.700 0.011 0.000 2.368 41 S HA 0.019 4.514 4.470 0.043 0.000 0.225 41 S C 2.077 176.633 174.600 -0.074 0.000 1.030 41 S CA 0.896 59.080 58.200 -0.026 0.000 0.999 41 S CB -0.505 62.668 63.200 -0.045 0.000 0.844 41 S HN 0.339 nan 8.310 nan 0.000 0.459 42 L N 1.103 122.277 121.223 -0.082 0.000 2.017 42 L HA -0.142 4.224 4.340 0.043 0.000 0.208 42 L C 2.883 179.670 176.870 -0.138 0.000 1.073 42 L CA 1.328 56.033 54.840 -0.225 0.000 0.745 42 L CB -0.889 41.135 42.059 -0.058 0.000 0.894 42 L HN 0.329 nan 8.230 nan 0.000 0.432 43 A N -0.269 122.581 122.820 0.050 0.000 1.883 43 A HA -0.305 4.041 4.320 0.043 0.000 0.217 43 A C 2.286 179.917 177.584 0.078 0.000 1.186 43 A CA 2.042 54.149 52.037 0.117 0.000 0.624 43 A CB -0.724 18.335 19.000 0.100 0.000 0.822 43 A HN 0.528 nan 8.150 nan 0.000 0.444 44 Q N -1.933 117.892 119.800 0.042 0.000 2.061 44 Q HA -0.256 4.110 4.340 0.043 0.000 0.204 44 Q C 1.981 178.006 176.000 0.042 0.000 0.984 44 Q CA 2.172 57.999 55.803 0.039 0.000 0.846 44 Q CB -0.361 28.398 28.738 0.034 0.000 0.902 44 Q HN 0.770 nan 8.270 nan 0.000 0.421 45 Y N -0.170 120.038 120.300 -0.153 0.000 2.114 45 Y HA -0.255 4.321 4.550 0.043 0.000 0.284 45 Y C 1.747 177.576 175.900 -0.117 0.000 1.143 45 Y CA 1.878 59.855 58.100 -0.205 0.000 1.135 45 Y CB -0.245 37.982 38.460 -0.389 0.000 0.980 45 Y HN 0.143 nan 8.280 nan 0.000 0.499 46 F N -0.006 119.995 119.950 0.084 0.000 2.171 46 F HA -0.176 4.375 4.527 0.040 0.000 0.300 46 F C 2.567 178.328 175.800 -0.065 0.000 1.090 46 F CA 0.966 58.956 58.000 -0.017 0.000 1.293 46 F CB -1.504 37.524 39.000 0.046 0.000 1.013 46 F HN 0.154 nan 8.300 nan 0.000 0.486 47 A N 0.053 122.958 122.820 0.142 0.000 1.883 47 A HA -0.231 4.114 4.320 0.043 0.000 0.217 47 A C 2.457 180.040 177.584 -0.001 0.000 1.186 47 A CA 2.342 54.418 52.037 0.064 0.000 0.624 47 A CB -1.339 17.694 19.000 0.054 0.000 0.822 47 A HN 0.407 nan 8.150 nan 0.000 0.444 48 S N -0.110 115.561 115.700 -0.049 0.000 2.400 48 S HA -0.094 4.402 4.470 0.043 0.000 0.232 48 S C 1.631 176.156 174.600 -0.125 0.000 1.025 48 S CA 1.596 59.740 58.200 -0.094 0.000 0.993 48 S CB -0.593 62.529 63.200 -0.130 0.000 0.808 48 S HN 0.452 nan 8.310 nan 0.000 0.478 49 L N 0.836 121.960 121.223 -0.164 0.000 2.591 49 L HA 0.310 4.675 4.340 0.043 0.000 0.228 49 L C 1.812 178.648 176.870 -0.058 0.000 1.133 49 L CA 0.292 55.049 54.840 -0.138 0.000 0.880 49 L CB -0.746 41.201 42.059 -0.186 0.000 1.033 49 L HN 0.613 nan 8.230 nan 0.000 0.450 50 G N 1.197 109.978 108.800 -0.031 0.000 2.160 50 G HA2 -0.255 3.730 3.960 0.043 0.000 0.251 50 G HA3 -0.255 3.730 3.960 0.043 0.000 0.251 50 G C 0.235 175.132 174.900 -0.006 0.000 1.008 50 G CA 0.375 45.467 45.100 -0.014 0.000 0.724 50 G HN 0.295 nan 8.290 nan 0.000 0.514 51 V N -2.446 117.473 119.914 0.007 0.000 2.732 51 V HA 0.887 5.032 4.120 0.043 0.000 0.310 51 V C 0.737 176.818 176.094 -0.022 0.000 1.053 51 V CA -0.239 62.053 62.300 -0.014 0.000 0.957 51 V CB 1.856 33.660 31.823 -0.030 0.000 1.018 51 V HN 0.984 nan 8.190 nan 0.000 0.452 52 S N 2.892 118.561 115.700 -0.052 0.000 2.488 52 S HA 0.563 5.058 4.470 0.043 0.000 0.278 52 S C 0.503 175.023 174.600 -0.133 0.000 1.259 52 S CA -0.024 58.144 58.200 -0.055 0.000 1.061 52 S CB -0.190 62.982 63.200 -0.048 0.000 0.910 52 S HN 1.870 nan 8.310 nan 0.000 0.491 53 A N 7.777 130.535 122.820 -0.103 0.000 2.548 53 A HA 0.389 4.735 4.320 0.043 0.000 0.247 53 A C -1.720 175.702 177.584 -0.270 0.000 1.067 53 A CA -0.940 50.952 52.037 -0.242 0.000 0.757 53 A CB -0.351 18.689 19.000 0.067 0.000 0.996 53 A HN 0.763 nan 8.150 nan 0.000 0.504 54 P HA 0.118 nan 4.420 nan 0.000 0.274 54 P C -0.766 176.459 177.300 -0.125 0.000 1.246 54 P CA -0.240 62.706 63.100 -0.256 0.000 0.795 54 P CB 0.524 32.042 31.700 -0.304 0.000 1.006 55 Q N 0.061 119.824 119.800 -0.061 0.000 2.304 55 Q HA 0.367 4.732 4.340 0.043 0.000 0.260 55 Q C -0.549 175.444 176.000 -0.012 0.000 0.965 55 Q CA -0.405 55.392 55.803 -0.009 0.000 0.898 55 Q CB 0.851 29.596 28.738 0.011 0.000 1.196 55 Q HN 0.203 nan 8.270 nan 0.000 0.402 56 V N 3.441 123.362 119.914 0.012 0.000 2.487 56 V HA 0.498 4.643 4.120 0.043 0.000 0.298 56 V C -0.238 175.878 176.094 0.038 0.000 1.028 56 V CA -0.767 61.520 62.300 -0.021 0.000 0.860 56 V CB 1.688 33.458 31.823 -0.089 0.000 0.991 56 V HN 0.624 nan 8.190 nan 0.000 0.427 57 V N 1.669 121.583 119.914 0.001 0.000 2.962 57 V HA 0.828 4.973 4.120 0.043 0.000 0.313 57 V C -0.266 175.832 176.094 0.006 0.000 1.099 57 V CA -0.461 61.858 62.300 0.032 0.000 0.971 57 V CB 2.236 34.048 31.823 -0.017 0.000 1.028 57 V HN 0.672 nan 8.190 nan 0.000 0.430 58 S N 1.776 117.535 115.700 0.098 0.000 2.525 58 S HA 0.822 5.318 4.470 0.043 0.000 0.290 58 S C -0.502 174.076 174.600 -0.038 0.000 1.152 58 S CA -0.547 57.735 58.200 0.136 0.000 1.072 58 S CB 1.634 65.015 63.200 0.301 0.000 1.027 58 S HN 0.837 nan 8.310 nan 0.000 0.500 59 V N 2.346 122.178 119.914 -0.137 0.000 2.531 59 V HA 0.462 4.608 4.120 0.043 0.000 0.301 59 V C 0.052 176.179 176.094 0.054 0.000 1.034 59 V CA -0.738 61.467 62.300 -0.158 0.000 0.865 59 V CB 1.847 33.336 31.823 -0.558 0.000 0.995 59 V HN 0.837 nan 8.190 nan 0.000 0.424 60 S N 4.286 120.047 115.700 0.102 0.000 2.489 60 S HA 0.603 5.098 4.470 0.043 0.000 0.277 60 S C -0.580 174.111 174.600 0.153 0.000 1.230 60 S CA -0.361 57.922 58.200 0.139 0.000 1.053 60 S CB 0.779 64.034 63.200 0.091 0.000 0.955 60 S HN 0.514 nan 8.310 nan 0.000 0.488 61 V N 5.346 125.367 119.914 0.178 0.000 2.448 61 V HA 0.371 4.517 4.120 0.043 0.000 0.295 61 V C -0.431 175.743 176.094 0.133 0.000 1.025 61 V CA -0.682 61.719 62.300 0.170 0.000 0.859 61 V CB 1.478 33.424 31.823 0.205 0.000 0.988 61 V HN 1.009 nan 8.190 nan 0.000 0.431 62 D N 4.133 124.599 120.400 0.109 0.000 2.751 62 D HA -0.194 4.472 4.640 0.043 0.000 0.233 62 D C 1.333 177.677 176.300 0.073 0.000 1.149 62 D CA 1.817 55.869 54.000 0.086 0.000 0.682 62 D CB -1.191 39.663 40.800 0.090 0.000 1.068 62 D HN 1.426 nan 8.370 nan 0.000 0.429 63 G N -1.657 107.184 108.800 0.070 0.000 2.205 63 G HA2 -0.165 3.821 3.960 0.043 0.000 0.261 63 G HA3 -0.165 3.821 3.960 0.043 0.000 0.261 63 G C 0.549 175.477 174.900 0.047 0.000 0.980 63 G CA 0.690 45.820 45.100 0.051 0.000 0.632 63 G HN 1.280 nan 8.290 nan 0.000 0.533 64 A N 0.170 123.034 122.820 0.074 0.000 2.371 64 A HA 0.820 5.165 4.320 0.043 0.000 0.257 64 A C 0.751 178.374 177.584 0.064 0.000 1.089 64 A CA 1.348 53.429 52.037 0.073 0.000 0.794 64 A CB 0.566 19.645 19.000 0.132 0.000 1.029 64 A HN 1.852 nan 8.150 nan 0.000 0.488 65 T N -1.015 113.507 114.554 -0.053 0.000 2.778 65 T HA 0.447 4.823 4.350 0.043 0.000 0.293 65 T C -0.394 173.927 174.700 -0.632 0.000 1.144 65 T CA -0.919 61.075 62.100 -0.176 0.000 1.010 65 T CB 0.875 69.655 68.868 -0.147 0.000 1.325 65 T HN 0.527 nan 8.240 nan 0.000 0.515 66 N N 1.877 120.100 118.700 -0.797 0.000 2.406 66 N HA 0.126 4.892 4.740 0.043 0.000 0.265 66 N C -0.778 174.318 175.510 -0.690 0.000 1.203 66 N CA 0.073 52.386 53.050 -1.228 0.000 0.945 66 N CB -0.203 37.813 38.487 -0.786 0.000 1.165 66 N HN 0.449 nan 8.380 nan 0.000 0.485 67 Q N 4.456 123.891 119.800 -0.609 0.000 3.064 67 Q HA 0.313 4.679 4.340 0.043 0.000 0.258 67 Q C -2.499 173.364 176.000 -0.229 0.000 0.972 67 Q CA -1.571 54.035 55.803 -0.328 0.000 0.761 67 Q CB 1.478 30.075 28.738 -0.236 0.000 1.281 67 Q HN 0.587 nan 8.270 nan 0.000 0.455 68 P HA -0.017 nan 4.420 nan 0.000 0.268 68 P C 0.909 178.159 177.300 -0.082 0.000 1.204 68 P CA 0.267 63.299 63.100 -0.113 0.000 0.768 68 P CB 0.901 32.542 31.700 -0.099 0.000 0.842 69 T N -1.008 113.515 114.554 -0.052 0.000 3.067 69 T HA 0.169 4.544 4.350 0.043 0.000 0.261 69 T C 1.429 176.109 174.700 -0.033 0.000 1.110 69 T CA 0.936 63.011 62.100 -0.041 0.000 1.113 69 T CB -0.788 68.064 68.868 -0.026 0.000 0.917 69 T HN 0.640 nan 8.240 nan 0.000 0.499 70 G N 1.180 109.962 108.800 -0.030 0.000 2.195 70 G HA2 -0.225 3.761 3.960 0.043 0.000 0.246 70 G HA3 -0.225 3.761 3.960 0.043 0.000 0.246 70 G C -0.174 174.716 174.900 -0.016 0.000 0.984 70 G CA 0.088 45.173 45.100 -0.024 0.000 0.633 70 G HN 0.741 nan 8.290 nan 0.000 0.525 71 D N 1.381 121.773 120.400 -0.013 0.000 2.339 71 D HA 0.437 5.103 4.640 0.043 0.000 0.241 71 D C -0.208 176.088 176.300 -0.006 0.000 1.183 71 D CA -1.979 52.016 54.000 -0.008 0.000 0.859 71 D CB 1.479 42.275 40.800 -0.006 0.000 1.067 71 D HN 0.166 nan 8.370 nan 0.000 0.484 72 P HA -0.100 nan 4.420 nan 0.000 0.225 72 P C 0.072 177.369 177.300 -0.005 0.000 1.148 72 P CA 0.798 63.892 63.100 -0.009 0.000 0.779 72 P CB 0.327 32.020 31.700 -0.012 0.000 0.780 73 N N -0.737 117.963 118.700 -0.000 0.000 2.270 73 N HA 0.138 4.904 4.740 0.043 0.000 0.198 73 N C 1.158 176.674 175.510 0.010 0.000 1.117 73 N CA -0.043 53.011 53.050 0.006 0.000 0.845 73 N CB 0.220 38.712 38.487 0.008 0.000 0.980 73 N HN 0.123 nan 8.380 nan 0.000 0.486 74 G N 0.829 109.633 108.800 0.007 0.000 2.606 74 G HA2 0.164 4.150 3.960 0.043 0.000 0.262 74 G HA3 0.164 4.150 3.960 0.043 0.000 0.262 74 G C -1.406 173.504 174.900 0.016 0.000 1.394 74 G CA -0.748 44.358 45.100 0.010 0.000 1.044 74 G HN -0.105 nan 8.290 nan 0.000 0.553 75 P HA -0.080 nan 4.420 nan 0.000 0.219 75 P C 0.546 177.872 177.300 0.043 0.000 1.146 75 P CA 1.131 64.251 63.100 0.033 0.000 0.808 75 P CB 0.162 31.884 31.700 0.037 0.000 0.779 76 D N 0.280 120.700 120.400 0.034 0.000 2.182 76 D HA -0.111 4.555 4.640 0.043 0.000 0.201 76 D C 2.343 178.658 176.300 0.024 0.000 0.986 76 D CA 1.591 55.616 54.000 0.042 0.000 0.847 76 D CB -1.102 39.710 40.800 0.020 0.000 0.942 76 D HN 0.229 nan 8.370 nan 0.000 0.467 77 G N 0.680 109.485 108.800 0.008 0.000 2.440 77 G HA2 -0.319 3.666 3.960 0.043 0.000 0.218 77 G HA3 -0.319 3.666 3.960 0.043 0.000 0.218 77 G C 1.609 176.498 174.900 -0.017 0.000 1.154 77 G CA 1.070 46.163 45.100 -0.012 0.000 0.767 77 G HN 0.323 nan 8.290 nan 0.000 0.552 78 E N 0.175 120.377 120.200 0.003 0.000 2.047 78 E HA -0.081 4.295 4.350 0.043 0.000 0.191 78 E C 2.594 179.192 176.600 -0.003 0.000 0.987 78 E CA 1.215 57.614 56.400 -0.001 0.000 0.799 78 E CB -0.395 29.315 29.700 0.017 0.000 0.752 78 E HN 0.183 nan 8.360 nan 0.000 0.449 79 V N 1.133 121.070 119.914 0.039 0.000 2.255 79 V HA -0.261 3.885 4.120 0.043 0.000 0.247 79 V C 2.246 178.356 176.094 0.027 0.000 1.051 79 V CA 2.408 64.753 62.300 0.076 0.000 1.018 79 V CB -0.616 31.337 31.823 0.216 0.000 0.641 79 V HN 0.327 nan 8.190 nan 0.000 0.445 80 E N -0.253 119.951 120.200 0.007 0.000 2.152 80 E HA -0.184 4.192 4.350 0.043 0.000 0.192 80 E C 2.115 178.619 176.600 -0.159 0.000 0.983 80 E CA 1.085 57.441 56.400 -0.074 0.000 0.818 80 E CB -0.184 29.469 29.700 -0.077 0.000 0.758 80 E HN 0.477 nan 8.360 nan 0.000 0.467 81 L N 1.757 122.899 121.223 -0.136 0.000 2.012 81 L HA -0.207 4.158 4.340 0.043 0.000 0.210 81 L C 1.493 178.265 176.870 -0.163 0.000 1.073 81 L CA 1.978 56.714 54.840 -0.172 0.000 0.748 81 L CB -0.319 41.659 42.059 -0.135 0.000 0.891 81 L HN -0.061 nan 8.230 nan 0.000 0.431 82 D N -0.046 120.285 120.400 -0.114 0.000 2.097 82 D HA -0.193 4.473 4.640 0.043 0.000 0.195 82 D C 2.304 178.560 176.300 -0.074 0.000 0.989 82 D CA 2.173 56.116 54.000 -0.095 0.000 0.827 82 D CB -0.229 40.531 40.800 -0.066 0.000 0.966 82 D HN 0.486 nan 8.370 nan 0.000 0.456 83 I N 0.901 121.424 120.570 -0.078 0.000 2.252 83 I HA -0.193 4.003 4.170 0.043 0.000 0.245 83 I C 2.242 178.399 176.117 0.068 0.000 1.102 83 I CA 1.017 62.291 61.300 -0.043 0.000 1.385 83 I CB -0.195 37.722 38.000 -0.138 0.000 1.064 83 I HN -0.045 nan 8.210 nan 0.000 0.414 84 E N 0.318 120.487 120.200 -0.053 0.000 2.072 84 E HA -0.157 4.219 4.350 0.043 0.000 0.191 84 E C 2.347 179.054 176.600 0.179 0.000 0.985 84 E CA 1.173 57.559 56.400 -0.024 0.000 0.801 84 E CB 0.016 29.377 29.700 -0.565 0.000 0.750 84 E HN 0.274 nan 8.360 nan 0.000 0.452 85 V N 1.249 121.170 119.914 0.012 0.000 2.270 85 V HA -0.240 3.905 4.120 0.043 0.000 0.245 85 V C 2.295 178.427 176.094 0.063 0.000 1.043 85 V CA 1.848 64.145 62.300 -0.005 0.000 1.014 85 V CB -0.656 31.037 31.823 -0.217 0.000 0.645 85 V HN 0.312 nan 8.190 nan 0.000 0.447 86 A N 0.527 123.374 122.820 0.045 0.000 1.877 86 A HA -0.101 4.245 4.320 0.043 0.000 0.216 86 A C 2.404 180.036 177.584 0.081 0.000 1.186 86 A CA 2.030 54.104 52.037 0.060 0.000 0.620 86 A CB -1.303 17.715 19.000 0.029 0.000 0.822 86 A HN 0.533 nan 8.150 nan 0.000 0.443 87 G N -0.807 108.067 108.800 0.123 0.000 2.422 87 G HA2 0.069 4.054 3.960 0.043 0.000 0.218 87 G HA3 0.069 4.054 3.960 0.043 0.000 0.218 87 G C 1.640 176.515 174.900 -0.043 0.000 1.140 87 G CA 1.272 46.374 45.100 0.004 0.000 0.775 87 G HN 0.801 nan 8.290 nan 0.000 0.545 88 A N 0.149 123.135 122.820 0.276 0.000 2.014 88 A HA 0.261 4.607 4.320 0.043 0.000 0.218 88 A C 2.262 179.902 177.584 0.094 0.000 1.163 88 A CA 0.856 53.037 52.037 0.240 0.000 0.652 88 A CB -0.167 19.051 19.000 0.364 0.000 0.808 88 A HN 0.362 nan 8.150 nan 0.000 0.449 89 L N -2.111 119.173 121.223 0.101 0.000 2.463 89 L HA 0.251 4.617 4.340 0.043 0.000 0.219 89 L C 1.316 178.257 176.870 0.117 0.000 1.088 89 L CA 0.626 55.536 54.840 0.117 0.000 0.849 89 L CB 0.180 42.347 42.059 0.180 0.000 1.012 89 L HN 0.323 nan 8.230 nan 0.000 0.468 90 A N 0.082 122.939 122.820 0.061 0.000 3.253 90 A HA 0.379 4.724 4.320 0.043 0.000 0.290 90 A C -1.788 175.772 177.584 -0.040 0.000 0.950 90 A CA -0.759 51.295 52.037 0.028 0.000 0.986 90 A CB -0.156 18.867 19.000 0.038 0.000 1.104 90 A HN -0.066 nan 8.150 nan 0.000 0.481 91 P HA -0.110 nan 4.420 nan 0.000 0.225 91 P C 1.371 178.599 177.300 -0.121 0.000 1.148 91 P CA 1.706 64.706 63.100 -0.167 0.000 0.779 91 P CB 0.106 31.698 31.700 -0.180 0.000 0.780 92 G N -0.340 108.421 108.800 -0.065 0.000 2.623 92 G HA2 0.202 4.188 3.960 0.043 0.000 0.214 92 G HA3 0.202 4.188 3.960 0.043 0.000 0.214 92 G C 0.777 175.655 174.900 -0.037 0.000 1.138 92 G CA 0.380 45.452 45.100 -0.046 0.000 0.794 92 G HN 0.480 nan 8.290 nan 0.000 0.535 93 A N 0.091 122.889 122.820 -0.037 0.000 2.304 93 A HA 0.640 4.986 4.320 0.043 0.000 0.271 93 A C 0.136 177.703 177.584 -0.028 0.000 1.091 93 A CA -0.386 51.639 52.037 -0.021 0.000 0.812 93 A CB 0.610 19.605 19.000 -0.010 0.000 1.056 93 A HN 0.247 nan 8.150 nan 0.000 0.489 94 K N 0.808 121.206 120.400 -0.003 0.000 2.156 94 K HA 0.489 4.835 4.320 0.043 0.000 0.271 94 K C -0.993 175.608 176.600 0.001 0.000 0.995 94 K CA -0.400 55.889 56.287 0.003 0.000 0.890 94 K CB 1.184 33.708 32.500 0.040 0.000 1.073 94 K HN 0.450 nan 8.250 nan 0.000 0.454 95 I N 2.263 122.820 120.570 -0.022 0.000 2.362 95 I HA 0.315 4.511 4.170 0.043 0.000 0.289 95 I C -0.152 175.922 176.117 -0.071 0.000 0.994 95 I CA -0.718 60.560 61.300 -0.035 0.000 1.158 95 I CB 1.076 39.043 38.000 -0.054 0.000 1.315 95 I HN 0.622 nan 8.210 nan 0.000 0.451 96 A N 7.009 129.786 122.820 -0.072 0.000 2.304 96 A HA 0.708 5.053 4.320 0.043 0.000 0.314 96 A C -0.574 176.887 177.584 -0.205 0.000 1.187 96 A CA -0.505 51.390 52.037 -0.237 0.000 0.810 96 A CB 1.071 19.904 19.000 -0.278 0.000 1.183 96 A HN 0.423 nan 8.150 nan 0.000 0.487 97 V N 3.555 123.286 119.914 -0.305 0.000 2.347 97 V HA 0.264 4.410 4.120 0.043 0.000 0.280 97 V C -1.137 174.666 176.094 -0.485 0.000 1.021 97 V CA -0.379 61.747 62.300 -0.291 0.000 0.847 97 V CB 0.228 31.929 31.823 -0.203 0.000 0.990 97 V HN 0.716 nan 8.190 nan 0.000 0.444 98 Y N 4.728 124.841 120.300 -0.312 0.000 2.367 98 Y HA 0.553 5.130 4.550 0.045 0.000 0.342 98 Y C -0.097 175.614 175.900 -0.315 0.000 0.979 98 Y CA -0.768 57.214 58.100 -0.196 0.000 1.161 98 Y CB 0.666 39.083 38.460 -0.070 0.000 1.155 98 Y HN 0.503 nan 8.280 nan 0.000 0.503 99 F N 2.444 122.466 119.950 0.120 0.000 2.420 99 F HA 0.729 5.284 4.527 0.047 0.000 0.342 99 F C 0.364 176.220 175.800 0.092 0.000 1.113 99 F CA -0.578 57.473 58.000 0.085 0.000 1.059 99 F CB 1.233 40.256 39.000 0.039 0.000 1.128 99 F HN 0.525 nan 8.300 nan 0.000 0.475 100 A N 4.326 127.287 122.820 0.235 0.000 2.527 100 A HA 0.867 5.212 4.320 0.043 0.000 0.293 100 A C -2.917 174.746 177.584 0.133 0.000 1.117 100 A CA -2.088 50.053 52.037 0.172 0.000 0.723 100 A CB 1.472 20.568 19.000 0.160 0.000 1.313 100 A HN 0.420 nan 8.150 nan 0.000 0.411 101 P HA 0.126 nan 4.420 nan 0.000 0.270 101 P C -0.476 176.865 177.300 0.069 0.000 1.223 101 P CA -0.087 63.061 63.100 0.079 0.000 0.785 101 P CB 0.385 32.128 31.700 0.072 0.000 0.923 102 N N 1.178 119.905 118.700 0.045 0.000 3.178 102 N HA 0.103 4.869 4.740 0.043 0.000 0.300 102 N C -0.858 174.674 175.510 0.037 0.000 1.242 102 N CA -0.006 53.059 53.050 0.026 0.000 1.192 102 N CB -0.843 37.649 38.487 0.008 0.000 1.463 102 N HN 0.375 nan 8.380 nan 0.000 0.539 103 T N -2.721 111.878 114.554 0.075 0.000 2.883 103 T HA 0.340 4.716 4.350 0.043 0.000 0.296 103 T C 0.557 175.351 174.700 0.156 0.000 1.117 103 T CA -0.765 61.382 62.100 0.080 0.000 1.006 103 T CB 1.197 70.108 68.868 0.072 0.000 1.191 103 T HN -0.146 nan 8.240 nan 0.000 0.508 104 D N 0.885 121.364 120.400 0.133 0.000 2.117 104 D HA -0.006 4.660 4.640 0.043 0.000 0.197 104 D C 2.325 178.773 176.300 0.248 0.000 0.987 104 D CA 1.927 56.062 54.000 0.226 0.000 0.829 104 D CB -0.646 40.254 40.800 0.167 0.000 0.961 104 D HN 0.756 nan 8.370 nan 0.000 0.460 105 A N 0.496 123.414 122.820 0.165 0.000 1.933 105 A HA 0.005 4.351 4.320 0.043 0.000 0.218 105 A C 2.353 180.036 177.584 0.165 0.000 1.175 105 A CA 1.997 54.118 52.037 0.139 0.000 0.628 105 A CB -1.028 18.029 19.000 0.096 0.000 0.814 105 A HN 0.305 nan 8.150 nan 0.000 0.444 106 G N -1.452 107.454 108.800 0.177 0.000 2.418 106 G HA2 -0.219 3.767 3.960 0.043 0.000 0.217 106 G HA3 -0.219 3.767 3.960 0.043 0.000 0.217 106 G C 1.554 176.614 174.900 0.268 0.000 1.158 106 G CA 0.946 46.155 45.100 0.183 0.000 0.771 106 G HN 0.518 nan 8.290 nan 0.000 0.545 107 F N 0.227 120.258 119.950 0.134 0.000 2.075 107 F HA -0.107 4.435 4.527 0.025 0.000 0.297 107 F C 2.456 178.334 175.800 0.131 0.000 1.113 107 F CA 0.922 59.021 58.000 0.164 0.000 1.218 107 F CB 0.053 39.208 39.000 0.259 0.000 0.984 107 F HN 0.171 nan 8.300 nan 0.000 0.472 108 L N 1.210 122.600 121.223 0.278 0.000 2.012 108 L HA -0.286 4.080 4.340 0.043 0.000 0.210 108 L C 1.686 178.606 176.870 0.084 0.000 1.073 108 L CA 2.239 57.125 54.840 0.076 0.000 0.748 108 L CB -1.240 40.849 42.059 0.050 0.000 0.891 108 L HN 0.126 nan 8.230 nan 0.000 0.431 109 N N -0.662 118.112 118.700 0.124 0.000 2.166 109 N HA -0.167 4.598 4.740 0.043 0.000 0.186 109 N C 1.815 177.393 175.510 0.114 0.000 1.019 109 N CA 0.966 54.080 53.050 0.107 0.000 0.856 109 N CB -0.257 38.298 38.487 0.113 0.000 0.993 109 N HN 0.541 nan 8.380 nan 0.000 0.426 110 A N 1.293 124.205 122.820 0.154 0.000 1.898 110 A HA -0.088 4.257 4.320 0.043 0.000 0.216 110 A C 2.123 179.707 177.584 0.001 0.000 1.181 110 A CA 0.959 53.074 52.037 0.131 0.000 0.620 110 A CB -0.540 18.572 19.000 0.187 0.000 0.819 110 A HN 0.166 nan 8.150 nan 0.000 0.442 111 I N 0.259 120.862 120.570 0.056 0.000 2.179 111 I HA -0.244 3.952 4.170 0.043 0.000 0.242 111 I C 2.910 178.975 176.117 -0.088 0.000 1.088 111 I CA 1.912 63.200 61.300 -0.020 0.000 1.357 111 I CB -0.594 37.401 38.000 -0.008 0.000 1.051 111 I HN 0.549 nan 8.210 nan 0.000 0.409 112 T N -2.652 111.885 114.554 -0.028 0.000 2.821 112 T HA -0.134 4.241 4.350 0.043 0.000 0.267 112 T C 1.826 176.585 174.700 0.098 0.000 1.046 112 T CA 1.751 63.886 62.100 0.059 0.000 1.139 112 T CB -0.816 68.120 68.868 0.114 0.000 0.871 112 T HN 0.208 nan 8.240 nan 0.000 0.454 113 T N 2.056 116.635 114.554 0.042 0.000 2.746 113 T HA 0.103 4.479 4.350 0.043 0.000 0.267 113 T C 2.455 177.127 174.700 -0.047 0.000 1.039 113 T CA 1.310 63.453 62.100 0.072 0.000 1.142 113 T CB -0.801 68.151 68.868 0.141 0.000 0.866 113 T HN 0.616 nan 8.240 nan 0.000 0.444 114 A N 1.008 123.590 122.820 -0.395 0.000 1.855 114 A HA -0.036 4.309 4.320 0.043 0.000 0.215 114 A C 2.587 180.011 177.584 -0.268 0.000 1.191 114 A CA 1.364 52.987 52.037 -0.690 0.000 0.613 114 A CB -1.103 17.260 19.000 -1.062 0.000 0.829 114 A HN 0.326 nan 8.150 nan 0.000 0.442 115 V N 0.155 119.908 119.914 -0.268 0.000 2.324 115 V HA -0.248 3.897 4.120 0.043 0.000 0.250 115 V C 2.023 177.899 176.094 -0.363 0.000 1.060 115 V CA 2.086 64.189 62.300 -0.329 0.000 1.042 115 V CB -1.011 30.534 31.823 -0.464 0.000 0.650 115 V HN 0.677 nan 8.190 nan 0.000 0.450 116 H N -1.430 117.627 119.070 -0.021 0.000 2.529 116 H HA 0.178 4.761 4.556 0.044 0.000 0.277 116 H C 0.516 175.865 175.328 0.035 0.000 1.004 116 H CA -0.230 55.820 56.048 0.004 0.000 1.167 116 H CB -0.018 29.743 29.762 -0.002 0.000 1.445 116 H HN 0.373 nan 8.280 nan 0.000 0.554 117 D N 3.626 124.106 120.400 0.134 0.000 2.368 117 D HA -0.028 4.638 4.640 0.043 0.000 0.268 117 D C -1.295 175.078 176.300 0.121 0.000 1.298 117 D CA -1.440 52.663 54.000 0.172 0.000 0.938 117 D CB 1.286 42.258 40.800 0.286 0.000 1.101 117 D HN 0.186 nan 8.370 nan 0.000 0.509 118 P HA -0.022 nan 4.420 nan 0.000 0.236 118 P C 0.945 178.241 177.300 -0.007 0.000 1.177 118 P CA 0.368 63.492 63.100 0.041 0.000 0.773 118 P CB 0.610 32.331 31.700 0.036 0.000 0.878 119 T N -1.230 113.291 114.554 -0.055 0.000 2.953 119 T HA 0.014 4.390 4.350 0.043 0.000 0.247 119 T C 1.627 176.153 174.700 -0.290 0.000 1.029 119 T CA 0.945 62.915 62.100 -0.217 0.000 1.144 119 T CB -0.442 68.203 68.868 -0.370 0.000 0.870 119 T HN 0.251 nan 8.240 nan 0.000 0.446 120 H N 1.132 120.255 119.070 0.089 0.000 2.547 120 H HA 0.267 4.849 4.556 0.043 0.000 0.272 120 H C 0.462 175.840 175.328 0.083 0.000 0.971 120 H CA 0.420 56.522 56.048 0.091 0.000 1.245 120 H CB 0.116 29.957 29.762 0.131 0.000 1.440 120 H HN 0.316 nan 8.280 nan 0.000 0.540 121 K N 1.195 121.691 120.400 0.161 0.000 3.490 121 K HA -0.115 4.231 4.320 0.043 0.000 0.273 121 K C -2.561 174.094 176.600 0.092 0.000 0.916 121 K CA 0.003 56.349 56.287 0.098 0.000 0.718 121 K CB -0.947 31.588 32.500 0.058 0.000 1.477 121 K HN 0.393 nan 8.250 nan 0.000 0.452 122 P HA -0.022 nan 4.420 nan 0.000 0.271 122 P C 0.388 177.705 177.300 0.028 0.000 1.218 122 P CA 0.010 63.155 63.100 0.074 0.000 0.780 122 P CB 1.436 33.186 31.700 0.084 0.000 0.901 123 S N 1.336 117.050 115.700 0.023 0.000 2.524 123 S HA 0.257 4.752 4.470 0.043 0.000 0.215 123 S C 0.637 175.239 174.600 0.003 0.000 0.986 123 S CA -0.133 58.072 58.200 0.008 0.000 0.911 123 S CB -0.238 62.967 63.200 0.008 0.000 0.805 123 S HN 0.399 nan 8.310 nan 0.000 0.501 124 I N 1.090 121.665 120.570 0.008 0.000 2.722 124 I HA 0.494 4.690 4.170 0.043 0.000 0.295 124 I C -1.477 174.644 176.117 0.007 0.000 1.161 124 I CA -1.018 60.287 61.300 0.008 0.000 1.032 124 I CB 2.634 40.643 38.000 0.014 0.000 1.244 124 I HN -0.143 nan 8.210 nan 0.000 0.421 125 V N 3.395 123.310 119.914 0.002 0.000 2.531 125 V HA 0.489 4.635 4.120 0.043 0.000 0.301 125 V C -0.391 175.710 176.094 0.012 0.000 1.034 125 V CA -0.532 61.768 62.300 0.001 0.000 0.865 125 V CB 1.918 33.735 31.823 -0.010 0.000 0.995 125 V HN 0.747 nan 8.190 nan 0.000 0.424 126 S N 5.406 121.119 115.700 0.022 0.000 2.449 126 S HA 0.829 5.325 4.470 0.043 0.000 0.310 126 S C -0.837 173.785 174.600 0.037 0.000 1.096 126 S CA -0.435 57.779 58.200 0.022 0.000 1.095 126 S CB 0.497 63.706 63.200 0.016 0.000 1.007 126 S HN 0.540 nan 8.310 nan 0.000 0.474 127 I N 2.871 123.469 120.570 0.047 0.000 2.647 127 I HA 0.399 4.595 4.170 0.043 0.000 0.295 127 I C 0.253 176.421 176.117 0.085 0.000 1.078 127 I CA -0.739 60.619 61.300 0.097 0.000 1.048 127 I CB 2.473 40.581 38.000 0.179 0.000 1.239 127 I HN 0.452 nan 8.210 nan 0.000 0.421 128 S N 2.231 117.985 115.700 0.089 0.000 2.671 128 S HA 0.629 5.125 4.470 0.043 0.000 0.272 128 S C 0.225 174.921 174.600 0.159 0.000 1.174 128 S CA -0.647 57.606 58.200 0.088 0.000 1.004 128 S CB 1.284 64.514 63.200 0.050 0.000 1.077 128 S HN 0.726 nan 8.310 nan 0.000 0.553 129 A N -0.010 122.907 122.820 0.162 0.000 2.498 129 A HA 0.485 4.831 4.320 0.043 0.000 0.239 129 A C 1.126 178.898 177.584 0.313 0.000 1.068 129 A CA 0.149 52.318 52.037 0.221 0.000 0.766 129 A CB -0.402 18.717 19.000 0.199 0.000 1.003 129 A HN 0.977 nan 8.150 nan 0.000 0.497 130 G N 0.392 109.470 108.800 0.464 0.000 3.228 130 G HA2 0.561 4.546 3.960 0.043 0.000 0.245 130 G HA3 0.561 4.546 3.960 0.043 0.000 0.245 130 G C 0.659 175.981 174.900 0.704 0.000 1.051 130 G CA 0.681 46.217 45.100 0.727 0.000 0.809 130 G HN 2.185 nan 8.290 nan 0.000 0.531 131 G N -0.328 108.803 108.800 0.551 0.000 2.525 131 G HA2 0.139 4.124 3.960 0.043 0.000 0.685 131 G HA3 0.139 4.124 3.960 0.043 0.000 0.685 131 G C -3.300 171.927 174.900 0.544 0.000 1.285 131 G CA -1.033 44.331 45.100 0.441 0.000 0.849 131 G HN 0.072 nan 8.290 nan 0.000 0.653 132 P HA 0.111 nan 4.420 nan 0.000 0.260 132 P C 1.236 178.820 177.300 0.474 0.000 1.172 132 P CA 0.714 64.002 63.100 0.314 0.000 0.760 132 P CB 0.448 32.194 31.700 0.077 0.000 0.773 133 E N 2.923 123.377 120.200 0.424 0.000 2.130 133 E HA -0.280 4.096 4.350 0.043 0.000 0.196 133 E C 0.464 177.219 176.600 0.259 0.000 0.998 133 E CA 1.665 58.259 56.400 0.323 0.000 0.806 133 E CB -0.598 29.255 29.700 0.254 0.000 0.738 133 E HN 0.447 nan 8.360 nan 0.000 0.459 134 D N 1.120 121.667 120.400 0.245 0.000 2.336 134 D HA -0.061 4.605 4.640 0.043 0.000 0.229 134 D C 1.400 177.789 176.300 0.149 0.000 1.061 134 D CA 0.782 54.886 54.000 0.174 0.000 0.875 134 D CB 0.227 41.140 40.800 0.188 0.000 0.904 134 D HN 0.302 nan 8.370 nan 0.000 0.525 135 S N -1.825 113.990 115.700 0.192 0.000 2.524 135 S HA 0.108 4.604 4.470 0.043 0.000 0.215 135 S C 0.183 174.825 174.600 0.070 0.000 0.986 135 S CA -0.837 57.413 58.200 0.082 0.000 0.911 135 S CB -0.411 62.799 63.200 0.016 0.000 0.805 135 S HN 0.147 nan 8.310 nan 0.000 0.501 136 W N 2.354 123.657 121.300 0.005 0.000 2.261 136 W HA 0.695 5.387 4.660 0.053 0.000 0.323 136 W C 0.588 177.079 176.519 -0.047 0.000 1.243 136 W CA -0.535 56.801 57.345 -0.015 0.000 1.210 136 W CB 0.674 30.089 29.460 -0.075 0.000 1.149 136 W HN 0.220 nan 8.180 nan 0.000 0.562 137 A N 5.336 128.274 122.820 0.198 0.000 2.520 137 A HA 0.165 4.510 4.320 0.043 0.000 0.245 137 A C -1.494 176.144 177.584 0.089 0.000 1.072 137 A CA -0.769 51.332 52.037 0.106 0.000 0.761 137 A CB -0.020 19.029 19.000 0.081 0.000 1.004 137 A HN 0.557 nan 8.150 nan 0.000 0.499 138 P HA -0.220 nan 4.420 nan 0.000 0.216 138 P C 1.654 178.937 177.300 -0.028 0.000 1.150 138 P CA 2.332 65.415 63.100 -0.029 0.000 0.843 138 P CB 0.179 31.858 31.700 -0.035 0.000 0.787 139 A N -1.048 121.774 122.820 0.004 0.000 1.972 139 A HA -0.155 4.191 4.320 0.043 0.000 0.219 139 A C 2.316 179.913 177.584 0.022 0.000 1.169 139 A CA 2.004 54.045 52.037 0.007 0.000 0.635 139 A CB -1.367 17.643 19.000 0.017 0.000 0.810 139 A HN 0.129 nan 8.150 nan 0.000 0.446 140 S N -0.165 115.577 115.700 0.071 0.000 2.371 140 S HA -0.049 4.446 4.470 0.043 0.000 0.224 140 S C 1.808 176.410 174.600 0.003 0.000 1.029 140 S CA 1.043 59.324 58.200 0.134 0.000 0.978 140 S CB -0.284 63.132 63.200 0.361 0.000 0.833 140 S HN 0.472 nan 8.310 nan 0.000 0.466 141 I N 2.192 122.679 120.570 -0.139 0.000 2.163 141 I HA -0.187 4.009 4.170 0.043 0.000 0.243 141 I C 2.725 178.749 176.117 -0.154 0.000 1.085 141 I CA 1.385 62.411 61.300 -0.457 0.000 1.347 141 I CB -1.696 35.987 38.000 -0.529 0.000 1.044 141 I HN 0.230 nan 8.210 nan 0.000 0.408 142 A N 0.861 123.633 122.820 -0.080 0.000 1.877 142 A HA -0.147 4.199 4.320 0.043 0.000 0.216 142 A C 2.580 180.157 177.584 -0.012 0.000 1.186 142 A CA 2.201 54.229 52.037 -0.014 0.000 0.620 142 A CB -0.845 18.142 19.000 -0.021 0.000 0.822 142 A HN 0.430 nan 8.150 nan 0.000 0.443 143 A N -0.709 122.092 122.820 -0.032 0.000 1.902 143 A HA -0.107 4.239 4.320 0.043 0.000 0.217 143 A C 2.290 179.798 177.584 -0.126 0.000 1.181 143 A CA 1.831 53.836 52.037 -0.054 0.000 0.623 143 A CB -0.519 18.465 19.000 -0.026 0.000 0.818 143 A HN 0.533 nan 8.150 nan 0.000 0.443 144 M N -0.756 118.760 119.600 -0.141 0.000 2.132 144 M HA -0.128 4.378 4.480 0.043 0.000 0.263 144 M C 2.228 178.252 176.300 -0.460 0.000 1.065 144 M CA 1.496 56.578 55.300 -0.363 0.000 1.122 144 M CB -0.543 31.932 32.600 -0.209 0.000 1.365 144 M HN 0.626 nan 8.290 nan 0.000 0.411 145 N N 0.459 119.178 118.700 0.031 0.000 2.104 145 N HA -0.213 4.553 4.740 0.043 0.000 0.190 145 N C 1.833 177.342 175.510 -0.001 0.000 1.024 145 N CA 1.299 54.479 53.050 0.217 0.000 0.853 145 N CB 0.071 38.808 38.487 0.416 0.000 1.008 145 N HN 0.118 nan 8.380 nan 0.000 0.424 146 R N 1.016 121.473 120.500 -0.072 0.000 2.092 146 R HA 0.044 4.409 4.340 0.043 0.000 0.231 146 R C 2.083 178.268 176.300 -0.191 0.000 1.119 146 R CA 1.487 57.515 56.100 -0.121 0.000 0.970 146 R CB -0.758 29.494 30.300 -0.080 0.000 0.864 146 R HN 0.287 nan 8.270 nan 0.000 0.440 147 A N -0.479 122.175 122.820 -0.277 0.000 1.933 147 A HA -0.114 4.232 4.320 0.043 0.000 0.218 147 A C 1.825 179.244 177.584 -0.276 0.000 1.175 147 A CA 1.391 53.247 52.037 -0.303 0.000 0.628 147 A CB -0.671 18.066 19.000 -0.439 0.000 0.814 147 A HN 0.339 nan 8.150 nan 0.000 0.444 148 F N -0.603 119.254 119.950 -0.155 0.000 2.206 148 F HA 0.015 4.593 4.527 0.086 0.000 0.298 148 F C 2.015 177.589 175.800 -0.376 0.000 1.090 148 F CA 0.553 58.436 58.000 -0.195 0.000 1.323 148 F CB -0.900 38.030 39.000 -0.117 0.000 1.028 148 F HN 0.231 nan 8.300 nan 0.000 0.492 149 L N 0.197 121.168 121.223 -0.419 0.000 2.046 149 L HA -0.246 4.120 4.340 0.043 0.000 0.208 149 L C 2.119 178.726 176.870 -0.438 0.000 1.077 149 L CA 2.013 56.322 54.840 -0.884 0.000 0.747 149 L CB -0.470 41.098 42.059 -0.818 0.000 0.896 149 L HN 0.146 nan 8.230 nan 0.000 0.432 150 D N -0.490 119.761 120.400 -0.248 0.000 2.144 150 D HA -0.212 4.454 4.640 0.043 0.000 0.199 150 D C 2.126 178.351 176.300 -0.124 0.000 0.984 150 D CA 1.302 55.224 54.000 -0.131 0.000 0.834 150 D CB 0.058 40.837 40.800 -0.036 0.000 0.955 150 D HN 0.446 nan 8.370 nan 0.000 0.465 151 A N 0.503 123.242 122.820 -0.135 0.000 1.902 151 A HA 0.024 4.370 4.320 0.043 0.000 0.217 151 A C 2.400 179.930 177.584 -0.091 0.000 1.181 151 A CA 2.039 54.010 52.037 -0.111 0.000 0.623 151 A CB -1.133 17.839 19.000 -0.046 0.000 0.818 151 A HN 0.357 nan 8.150 nan 0.000 0.443 152 A N -0.115 122.620 122.820 -0.142 0.000 1.902 152 A HA 0.153 4.499 4.320 0.043 0.000 0.217 152 A C 2.494 180.044 177.584 -0.056 0.000 1.181 152 A CA 2.093 54.056 52.037 -0.123 0.000 0.623 152 A CB -1.027 17.750 19.000 -0.372 0.000 0.818 152 A HN 1.105 nan 8.150 nan 0.000 0.443 153 A N -0.663 122.101 122.820 -0.094 0.000 2.019 153 A HA 0.044 4.389 4.320 0.043 0.000 0.219 153 A C 1.945 179.518 177.584 -0.019 0.000 1.164 153 A CA 1.341 53.352 52.037 -0.043 0.000 0.644 153 A CB -0.457 18.509 19.000 -0.057 0.000 0.805 153 A HN 0.466 nan 8.150 nan 0.000 0.449 154 L N -1.253 119.951 121.223 -0.031 0.000 2.591 154 L HA 0.199 4.564 4.340 0.043 0.000 0.228 154 L C 1.507 178.369 176.870 -0.012 0.000 1.133 154 L CA 0.474 55.302 54.840 -0.019 0.000 0.880 154 L CB -0.103 41.932 42.059 -0.040 0.000 1.033 154 L HN 0.567 nan 8.230 nan 0.000 0.450 155 G N 0.607 109.406 108.800 -0.002 0.000 2.160 155 G HA2 -0.228 3.758 3.960 0.043 0.000 0.244 155 G HA3 -0.228 3.758 3.960 0.043 0.000 0.244 155 G C -0.068 174.834 174.900 0.003 0.000 1.022 155 G CA 0.041 45.147 45.100 0.011 0.000 0.741 155 G HN 0.114 nan 8.290 nan 0.000 0.508 156 V N 1.041 120.950 119.914 -0.008 0.000 2.398 156 V HA 0.571 4.717 4.120 0.043 0.000 0.286 156 V C 0.801 176.899 176.094 0.006 0.000 1.026 156 V CA -0.212 62.080 62.300 -0.014 0.000 0.868 156 V CB 1.702 33.496 31.823 -0.048 0.000 0.982 156 V HN 0.334 nan 8.190 nan 0.000 0.443 157 T N 4.720 119.280 114.554 0.011 0.000 2.869 157 T HA 0.482 4.857 4.350 0.043 0.000 0.295 157 T C -0.182 174.520 174.700 0.004 0.000 0.987 157 T CA -0.219 61.894 62.100 0.021 0.000 1.109 157 T CB 1.242 70.116 68.868 0.010 0.000 0.932 157 T HN 0.385 nan 8.240 nan 0.000 0.518 158 V N 4.866 124.775 119.914 -0.009 0.000 2.444 158 V HA 0.475 4.621 4.120 0.043 0.000 0.294 158 V C -0.620 175.419 176.094 -0.092 0.000 1.022 158 V CA -0.863 61.401 62.300 -0.061 0.000 0.850 158 V CB 1.254 33.002 31.823 -0.125 0.000 0.992 158 V HN 0.633 nan 8.190 nan 0.000 0.426 159 L N 4.053 125.242 121.223 -0.057 0.000 2.346 159 L HA 0.974 5.340 4.340 0.043 0.000 0.274 159 L C 0.118 176.958 176.870 -0.050 0.000 1.007 159 L CA -0.322 54.500 54.840 -0.030 0.000 0.818 159 L CB 1.987 44.073 42.059 0.045 0.000 1.284 159 L HN 0.774 nan 8.230 nan 0.000 0.424 160 A N 1.533 124.324 122.820 -0.049 0.000 2.455 160 A HA 0.885 5.231 4.320 0.043 0.000 0.300 160 A C -0.584 177.014 177.584 0.024 0.000 1.040 160 A CA -0.493 51.524 52.037 -0.034 0.000 0.697 160 A CB 1.374 20.293 19.000 -0.134 0.000 1.265 160 A HN 0.818 nan 8.150 nan 0.000 0.407 161 A N 0.896 123.750 122.820 0.057 0.000 2.498 161 A HA 0.504 4.850 4.320 0.043 0.000 0.239 161 A C 1.269 178.919 177.584 0.110 0.000 1.068 161 A CA 0.429 52.519 52.037 0.090 0.000 0.766 161 A CB 0.061 19.120 19.000 0.098 0.000 1.003 161 A HN 2.151 nan 8.150 nan 0.000 0.497 162 A N 1.893 124.793 122.820 0.133 0.000 2.169 162 A HA 0.505 4.851 4.320 0.043 0.000 0.212 162 A C 1.287 178.971 177.584 0.166 0.000 1.153 162 A CA 1.203 53.324 52.037 0.140 0.000 0.756 162 A CB -0.755 18.327 19.000 0.138 0.000 0.813 162 A HN 2.769 nan 8.150 nan 0.000 0.471 163 G N -1.373 107.539 108.800 0.187 0.000 2.428 163 G HA2 0.162 4.148 3.960 0.043 0.000 0.681 163 G HA3 0.162 4.148 3.960 0.043 0.000 0.681 163 G C -0.895 174.133 174.900 0.213 0.000 1.340 163 G CA -0.078 45.136 45.100 0.191 0.000 0.915 163 G HN -0.004 nan 8.290 nan 0.000 0.645 164 D N -0.329 120.186 120.400 0.191 0.000 2.469 164 D HA 0.308 4.973 4.640 0.043 0.000 0.215 164 D C 1.269 177.545 176.300 -0.040 0.000 1.154 164 D CA 0.603 54.708 54.000 0.176 0.000 0.832 164 D CB 0.852 41.864 40.800 0.354 0.000 1.008 164 D HN 0.284 nan 8.370 nan 0.000 0.506 165 S N 0.360 116.056 115.700 -0.007 0.000 2.592 165 S HA 0.516 5.012 4.470 0.043 0.000 0.243 165 S C 0.861 175.450 174.600 -0.018 0.000 1.160 165 S CA -0.169 58.017 58.200 -0.024 0.000 1.145 165 S CB 0.916 64.140 63.200 0.039 0.000 0.909 165 S HN 0.421 nan 8.310 nan 0.000 0.487 166 G N 2.706 111.457 108.800 -0.081 0.000 2.598 166 G HA2 -0.334 3.651 3.960 0.043 0.000 0.269 166 G HA3 -0.334 3.651 3.960 0.043 0.000 0.269 166 G C 0.941 175.907 174.900 0.109 0.000 1.289 166 G CA 0.119 45.208 45.100 -0.019 0.000 0.926 166 G HN 0.941 nan 8.290 nan 0.000 0.567 167 S N -1.480 114.326 115.700 0.177 0.000 2.515 167 S HA 0.006 4.501 4.470 0.043 0.000 0.231 167 S C 2.044 176.886 174.600 0.402 0.000 0.987 167 S CA 2.131 60.525 58.200 0.322 0.000 0.936 167 S CB -0.401 63.003 63.200 0.340 0.000 0.766 167 S HN 1.869 nan 8.310 nan 0.000 0.528 168 T N -2.172 112.554 114.554 0.287 0.000 3.044 168 T HA 0.186 4.562 4.350 0.043 0.000 0.250 168 T C 0.394 175.255 174.700 0.268 0.000 1.081 168 T CA 0.345 62.598 62.100 0.255 0.000 1.040 168 T CB -0.537 68.394 68.868 0.106 0.000 0.962 168 T HN 0.284 nan 8.240 nan 0.000 0.506 169 D N 1.486 122.007 120.400 0.201 0.000 2.751 169 D HA -0.145 4.520 4.640 0.043 0.000 0.233 169 D C 1.247 177.606 176.300 0.098 0.000 1.149 169 D CA 1.492 55.588 54.000 0.161 0.000 0.682 169 D CB -1.571 39.360 40.800 0.217 0.000 1.068 169 D HN 0.858 nan 8.370 nan 0.000 0.429 170 G N -0.892 107.951 108.800 0.072 0.000 2.179 170 G HA2 -0.327 3.659 3.960 0.043 0.000 0.260 170 G HA3 -0.327 3.659 3.960 0.043 0.000 0.260 170 G C 0.125 175.030 174.900 0.009 0.000 0.977 170 G CA 0.448 45.571 45.100 0.038 0.000 0.641 170 G HN 0.542 nan 8.290 nan 0.000 0.533 171 E N 0.241 120.440 120.200 -0.002 0.000 2.242 171 E HA 0.474 4.850 4.350 0.043 0.000 0.275 171 E C 0.318 176.929 176.600 0.019 0.000 1.002 171 E CA -0.464 55.908 56.400 -0.047 0.000 0.841 171 E CB 0.624 30.166 29.700 -0.264 0.000 1.109 171 E HN 0.576 nan 8.360 nan 0.000 0.394 172 Q N 1.530 121.334 119.800 0.006 0.000 2.773 172 Q HA 0.168 4.534 4.340 0.043 0.000 0.373 172 Q C -0.897 175.110 176.000 0.011 0.000 0.940 172 Q CA -0.347 55.460 55.803 0.006 0.000 1.015 172 Q CB 0.077 28.813 28.738 -0.003 0.000 1.349 172 Q HN 0.394 nan 8.270 nan 0.000 0.413 173 D N -0.032 120.393 120.400 0.042 0.000 2.535 173 D HA 0.153 4.818 4.640 0.043 0.000 0.229 173 D C 0.957 177.264 176.300 0.013 0.000 1.238 173 D CA -0.090 53.936 54.000 0.043 0.000 0.824 173 D CB 0.314 41.168 40.800 0.090 0.000 1.045 173 D HN 0.504 nan 8.370 nan 0.000 0.500 174 G N 0.532 109.310 108.800 -0.038 0.000 2.221 174 G HA2 -0.229 3.757 3.960 0.043 0.000 0.265 174 G HA3 -0.229 3.757 3.960 0.043 0.000 0.265 174 G C -0.230 174.558 174.900 -0.187 0.000 1.041 174 G CA 0.619 45.654 45.100 -0.107 0.000 0.807 174 G HN 0.436 nan 8.290 nan 0.000 0.502 175 L N -1.979 119.105 121.223 -0.232 0.000 2.415 175 L HA 0.600 4.966 4.340 0.043 0.000 0.256 175 L C -0.244 176.255 176.870 -0.618 0.000 1.010 175 L CA -1.540 53.068 54.840 -0.386 0.000 0.826 175 L CB 1.541 43.429 42.059 -0.285 0.000 1.405 175 L HN 0.068 nan 8.230 nan 0.000 0.410 176 Y N 0.120 120.245 120.300 -0.292 0.000 2.320 176 Y HA 0.479 5.051 4.550 0.036 0.000 0.324 176 Y C 0.073 175.732 175.900 -0.401 0.000 1.190 176 Y CA -0.301 57.694 58.100 -0.175 0.000 1.215 176 Y CB 1.053 39.512 38.460 -0.002 0.000 1.221 176 Y HN 0.311 nan 8.280 nan 0.000 0.486 177 H N 1.092 120.332 119.070 0.283 0.000 2.894 177 H HA 0.499 5.075 4.556 0.034 0.000 0.367 177 H C -1.025 174.443 175.328 0.234 0.000 1.144 177 H CA -0.964 55.218 56.048 0.224 0.000 1.180 177 H CB 1.836 31.700 29.762 0.171 0.000 1.758 177 H HN 0.535 nan 8.280 nan 0.000 0.541 178 V N -0.424 119.689 119.914 0.332 0.000 2.834 178 V HA 0.413 4.559 4.120 0.043 0.000 0.313 178 V C 0.056 176.332 176.094 0.304 0.000 1.060 178 V CA -0.829 61.636 62.300 0.275 0.000 0.989 178 V CB 1.937 33.894 31.823 0.223 0.000 1.041 178 V HN 0.675 nan 8.190 nan 0.000 0.459 179 D N 0.779 121.345 120.400 0.276 0.000 2.253 179 D HA 0.545 5.211 4.640 0.043 0.000 0.249 179 D C -1.220 175.274 176.300 0.323 0.000 1.049 179 D CA -0.189 53.997 54.000 0.310 0.000 0.929 179 D CB 1.425 42.380 40.800 0.258 0.000 1.176 179 D HN 0.613 nan 8.370 nan 0.000 0.437 180 F N 2.867 122.936 119.950 0.199 0.000 2.532 180 F HA 0.436 5.016 4.527 0.089 0.000 0.321 180 F C -1.765 174.098 175.800 0.106 0.000 1.089 180 F CA -2.312 55.694 58.000 0.011 0.000 0.926 180 F CB 2.234 41.031 39.000 -0.338 0.000 1.168 180 F HN 0.235 nan 8.300 nan 0.000 0.459 181 P HA -0.067 nan 4.420 nan 0.000 0.234 181 P C 0.906 177.751 177.300 -0.757 0.000 1.167 181 P CA 1.253 63.510 63.100 -1.404 0.000 0.763 181 P CB -0.070 31.081 31.700 -0.916 0.000 0.835 182 A N 1.339 123.981 122.820 -0.296 0.000 1.948 182 A HA -0.153 4.192 4.320 0.043 0.000 0.220 182 A C 2.449 179.970 177.584 -0.105 0.000 1.177 182 A CA 2.132 54.082 52.037 -0.146 0.000 0.636 182 A CB -1.477 17.530 19.000 0.012 0.000 0.815 182 A HN 0.279 nan 8.150 nan 0.000 0.449 183 A N -0.588 122.233 122.820 0.001 0.000 2.067 183 A HA 0.150 4.495 4.320 0.043 0.000 0.219 183 A C 1.629 179.116 177.584 -0.163 0.000 1.158 183 A CA 1.032 53.138 52.037 0.115 0.000 0.661 183 A CB -0.750 18.495 19.000 0.409 0.000 0.801 183 A HN 0.635 nan 8.150 nan 0.000 0.452 184 S N 0.621 116.107 115.700 -0.356 0.000 2.552 184 S HA 0.161 4.656 4.470 0.043 0.000 0.289 184 S C -0.939 173.378 174.600 -0.471 0.000 1.304 184 S CA -0.621 57.172 58.200 -0.679 0.000 1.063 184 S CB 0.726 63.745 63.200 -0.301 0.000 0.848 184 S HN 0.314 nan 8.310 nan 0.000 0.499 185 P HA -0.038 nan 4.420 nan 0.000 0.230 185 P C 0.203 177.395 177.300 -0.180 0.000 1.158 185 P CA 1.015 63.973 63.100 -0.236 0.000 0.769 185 P CB -0.125 31.377 31.700 -0.329 0.000 0.807 186 Y N -0.834 119.414 120.300 -0.088 0.000 2.466 186 Y HA 0.152 4.725 4.550 0.039 0.000 0.272 186 Y C 1.155 176.933 175.900 -0.204 0.000 1.169 186 Y CA -0.280 57.678 58.100 -0.237 0.000 1.285 186 Y CB 0.385 38.663 38.460 -0.303 0.000 1.078 186 Y HN -0.282 nan 8.280 nan 0.000 0.523 187 V N 1.630 121.455 119.914 -0.147 0.000 2.581 187 V HA 0.191 4.336 4.120 0.043 0.000 0.303 187 V C -0.354 175.689 176.094 -0.085 0.000 1.041 187 V CA -1.173 60.966 62.300 -0.269 0.000 0.907 187 V CB 2.260 33.722 31.823 -0.601 0.000 0.994 187 V HN -0.062 nan 8.190 nan 0.000 0.442 188 L N 4.910 126.101 121.223 -0.053 0.000 2.312 188 L HA 0.525 4.891 4.340 0.043 0.000 0.287 188 L C 0.520 177.405 176.870 0.025 0.000 1.091 188 L CA 0.001 54.849 54.840 0.012 0.000 0.846 188 L CB 0.230 42.299 42.059 0.017 0.000 1.219 188 L HN 0.826 nan 8.230 nan 0.000 0.439 189 A N 5.449 128.303 122.820 0.058 0.000 2.454 189 A HA 0.336 4.681 4.320 0.043 0.000 0.260 189 A C -0.008 177.650 177.584 0.123 0.000 1.106 189 A CA -0.277 51.803 52.037 0.072 0.000 0.780 189 A CB -0.171 18.886 19.000 0.096 0.000 1.044 189 A HN 0.827 nan 8.150 nan 0.000 0.498 190 C N 3.608 122.984 119.300 0.128 0.000 2.239 190 C HA 0.653 5.139 4.460 0.043 0.000 0.323 190 C C 1.267 176.353 174.990 0.160 0.000 1.205 190 C CA -0.429 58.696 59.018 0.178 0.000 1.584 190 C CB 0.003 27.852 27.740 0.181 0.000 2.201 190 C HN 1.054 nan 8.230 nan 0.000 0.475 191 G N 2.020 110.919 108.800 0.165 0.000 2.537 191 G HA2 0.694 4.680 3.960 0.043 0.000 0.297 191 G HA3 0.694 4.680 3.960 0.043 0.000 0.297 191 G C -0.159 174.864 174.900 0.205 0.000 1.310 191 G CA -0.310 44.889 45.100 0.165 0.000 1.027 191 G HN 0.988 nan 8.290 nan 0.000 0.505 192 G N -1.365 107.595 108.800 0.267 0.000 2.524 192 G HA2 0.657 4.643 3.960 0.043 0.000 0.310 192 G HA3 0.657 4.643 3.960 0.043 0.000 0.310 192 G C -0.382 174.719 174.900 0.336 0.000 1.279 192 G CA 0.164 45.456 45.100 0.319 0.000 0.974 192 G HN 0.985 nan 8.290 nan 0.000 0.484 193 T N -1.730 112.981 114.554 0.260 0.000 2.888 193 T HA 0.699 5.074 4.350 0.043 0.000 0.288 193 T C -0.392 174.421 174.700 0.188 0.000 1.063 193 T CA -0.960 61.286 62.100 0.244 0.000 1.010 193 T CB 2.218 71.211 68.868 0.208 0.000 1.214 193 T HN 0.628 nan 8.240 nan 0.000 0.533 194 R N 0.977 121.587 120.500 0.183 0.000 2.246 194 R HA 0.604 4.970 4.340 0.043 0.000 0.332 194 R C -1.419 174.947 176.300 0.110 0.000 0.974 194 R CA -0.858 55.316 56.100 0.123 0.000 0.837 194 R CB 0.572 30.961 30.300 0.149 0.000 1.145 194 R HN 0.621 nan 8.270 nan 0.000 0.467 195 L N 5.445 126.718 121.223 0.083 0.000 2.282 195 L HA 0.415 4.780 4.340 0.043 0.000 0.288 195 L C -1.328 175.603 176.870 0.100 0.000 1.033 195 L CA -0.425 54.444 54.840 0.048 0.000 0.807 195 L CB 1.932 43.938 42.059 -0.089 0.000 1.209 195 L HN 0.411 nan 8.230 nan 0.000 0.423 196 V N 5.699 125.655 119.914 0.071 0.000 2.326 196 V HA 0.895 5.041 4.120 0.043 0.000 0.281 196 V C 0.073 176.188 176.094 0.035 0.000 1.015 196 V CA 0.019 62.381 62.300 0.105 0.000 0.823 196 V CB 0.515 32.379 31.823 0.068 0.000 1.009 196 V HN 0.995 nan 8.190 nan 0.000 0.436 197 A N 4.007 126.848 122.820 0.035 0.000 2.594 197 A HA 1.008 5.353 4.320 0.043 0.000 0.291 197 A C -0.266 177.307 177.584 -0.019 0.000 1.105 197 A CA -0.228 51.762 52.037 -0.078 0.000 0.694 197 A CB 2.252 21.087 19.000 -0.275 0.000 1.291 197 A HN 0.893 nan 8.150 nan 0.000 0.410 198 S N -0.491 115.180 115.700 -0.049 0.000 2.810 198 S HA 0.743 5.239 4.470 0.043 0.000 0.315 198 S C 1.171 175.733 174.600 -0.064 0.000 1.138 198 S CA 0.027 58.212 58.200 -0.026 0.000 0.889 198 S CB 1.047 64.242 63.200 -0.008 0.000 1.236 198 S HN 2.059 nan 8.310 nan 0.000 0.548 199 A N 0.451 123.243 122.820 -0.047 0.000 1.908 199 A HA 0.158 4.503 4.320 0.043 0.000 0.218 199 A C 1.886 179.439 177.584 -0.051 0.000 1.181 199 A CA 1.892 53.895 52.037 -0.056 0.000 0.627 199 A CB -1.588 17.389 19.000 -0.037 0.000 0.818 199 A HN 1.261 nan 8.150 nan 0.000 0.445 200 G N -1.347 107.432 108.800 -0.036 0.000 3.126 200 G HA2 0.393 4.379 3.960 0.043 0.000 0.224 200 G HA3 0.393 4.379 3.960 0.043 0.000 0.224 200 G C 0.486 175.373 174.900 -0.022 0.000 1.142 200 G CA 0.391 45.476 45.100 -0.025 0.000 0.759 200 G HN 0.830 nan 8.290 nan 0.000 0.550 201 R N -1.174 119.307 120.500 -0.032 0.000 2.712 201 R HA 0.494 4.859 4.340 0.043 0.000 0.272 201 R C -1.893 174.379 176.300 -0.047 0.000 1.032 201 R CA -0.986 55.099 56.100 -0.025 0.000 0.874 201 R CB 0.496 30.794 30.300 -0.003 0.000 1.256 201 R HN -0.072 nan 8.270 nan 0.000 0.468 202 I N 2.343 122.886 120.570 -0.044 0.000 2.312 202 I HA 0.163 4.359 4.170 0.043 0.000 0.290 202 I C 0.365 176.480 176.117 -0.003 0.000 1.008 202 I CA -0.481 60.777 61.300 -0.070 0.000 1.226 202 I CB 1.860 39.759 38.000 -0.167 0.000 1.371 202 I HN 0.761 nan 8.210 nan 0.000 0.468 203 E N 4.389 124.592 120.200 0.005 0.000 2.112 203 E HA 0.057 4.432 4.350 0.043 0.000 0.190 203 E C 0.423 177.056 176.600 0.055 0.000 0.979 203 E CA 0.890 57.308 56.400 0.031 0.000 0.814 203 E CB 0.284 30.000 29.700 0.027 0.000 0.762 203 E HN 0.428 nan 8.360 nan 0.000 0.460 204 R N -0.457 120.078 120.500 0.059 0.000 2.644 204 R HA 0.253 4.619 4.340 0.043 0.000 0.257 204 R C -1.834 174.528 176.300 0.103 0.000 1.082 204 R CA -0.335 55.820 56.100 0.091 0.000 0.927 204 R CB 1.266 31.610 30.300 0.074 0.000 1.258 204 R HN -0.015 nan 8.270 nan 0.000 0.459 205 E N 2.332 122.629 120.200 0.162 0.000 2.294 205 E HA 0.305 4.681 4.350 0.043 0.000 0.272 205 E C -1.530 175.174 176.600 0.173 0.000 0.896 205 E CA -0.469 56.035 56.400 0.173 0.000 0.802 205 E CB 1.726 31.551 29.700 0.209 0.000 1.267 205 E HN 0.696 nan 8.360 nan 0.000 0.406 206 T N -0.872 113.768 114.554 0.144 0.000 2.888 206 T HA 0.507 4.882 4.350 0.043 0.000 0.288 206 T C -0.049 174.735 174.700 0.141 0.000 1.063 206 T CA -0.771 61.403 62.100 0.123 0.000 1.010 206 T CB 1.106 70.036 68.868 0.103 0.000 1.214 206 T HN 0.133 nan 8.240 nan 0.000 0.533 207 V N 1.467 121.451 119.914 0.116 0.000 2.673 207 V HA 0.118 4.263 4.120 0.043 0.000 0.303 207 V C 0.072 176.291 176.094 0.209 0.000 1.046 207 V CA -0.436 61.944 62.300 0.133 0.000 1.126 207 V CB -0.059 31.807 31.823 0.070 0.000 0.934 207 V HN 0.846 nan 8.190 nan 0.000 0.487 208 W N 7.396 128.731 121.300 0.059 0.000 2.446 208 W HA 0.358 5.031 4.660 0.022 0.000 0.316 208 W C 0.012 176.566 176.519 0.058 0.000 1.376 208 W CA -0.658 56.724 57.345 0.062 0.000 1.300 208 W CB -0.137 29.366 29.460 0.072 0.000 1.351 208 W HN 0.620 nan 8.180 nan 0.000 0.530 209 N N 5.318 124.009 118.700 -0.015 0.000 2.599 209 N HA 0.077 4.843 4.740 0.043 0.000 0.283 209 N C -1.189 174.296 175.510 -0.042 0.000 1.160 209 N CA -0.168 52.761 53.050 -0.201 0.000 0.869 209 N CB 0.926 39.359 38.487 -0.089 0.000 1.448 209 N HN 0.375 nan 8.380 nan 0.000 0.535 210 D N 1.966 122.324 120.400 -0.070 0.000 2.501 210 D HA 0.315 4.981 4.640 0.043 0.000 0.226 210 D C 0.996 177.305 176.300 0.015 0.000 1.198 210 D CA 0.397 54.439 54.000 0.070 0.000 0.830 210 D CB 0.250 41.185 40.800 0.225 0.000 1.014 210 D HN 0.887 nan 8.370 nan 0.000 0.496 211 G N 1.727 110.503 108.800 -0.041 0.000 2.828 211 G HA2 -0.244 3.742 3.960 0.043 0.000 0.463 211 G HA3 -0.244 3.742 3.960 0.043 0.000 0.463 211 G C -1.909 172.971 174.900 -0.034 0.000 1.394 211 G CA -0.729 44.354 45.100 -0.029 0.000 0.862 211 G HN -0.007 nan 8.290 nan 0.000 0.540 212 P HA -0.045 nan 4.420 nan 0.000 0.216 212 P C 1.253 178.558 177.300 0.008 0.000 1.153 212 P CA 1.875 64.971 63.100 -0.008 0.000 0.858 212 P CB 0.005 31.706 31.700 0.002 0.000 0.789 213 D N -1.361 119.051 120.400 0.020 0.000 2.149 213 D HA -0.036 4.630 4.640 0.043 0.000 0.201 213 D C 2.068 178.407 176.300 0.064 0.000 0.972 213 D CA 1.588 55.611 54.000 0.038 0.000 0.835 213 D CB -0.891 39.931 40.800 0.037 0.000 0.966 213 D HN 0.215 nan 8.370 nan 0.000 0.476 214 G N -1.089 107.757 108.800 0.076 0.000 3.126 214 G HA2 0.438 4.424 3.960 0.043 0.000 0.224 214 G HA3 0.438 4.424 3.960 0.043 0.000 0.224 214 G C 0.726 175.756 174.900 0.216 0.000 1.142 214 G CA 0.363 45.554 45.100 0.152 0.000 0.759 214 G HN 0.554 nan 8.290 nan 0.000 0.550 215 G N -1.117 107.701 108.800 0.030 0.000 2.746 215 G HA2 0.303 4.288 3.960 0.043 0.000 0.685 215 G HA3 0.303 4.288 3.960 0.043 0.000 0.685 215 G C -0.484 173.913 174.900 -0.838 0.000 1.350 215 G CA 0.048 45.036 45.100 -0.187 0.000 0.837 215 G HN 1.278 nan 8.290 nan 0.000 0.564 216 S N -1.636 113.312 115.700 -1.253 0.000 2.552 216 S HA 0.705 5.200 4.470 0.043 0.000 0.272 216 S C 0.046 174.063 174.600 -0.972 0.000 1.150 216 S CA 0.889 58.254 58.200 -1.392 0.000 0.849 216 S CB 1.701 64.556 63.200 -0.574 0.000 1.113 216 S HN 2.037 nan 8.310 nan 0.000 0.458 217 T N 2.190 116.449 114.554 -0.492 0.000 2.940 217 T HA 0.456 4.831 4.350 0.043 0.000 0.309 217 T C 0.850 175.558 174.700 0.014 0.000 1.056 217 T CA 0.622 62.736 62.100 0.022 0.000 1.137 217 T CB -0.218 68.777 68.868 0.211 0.000 0.976 217 T HN 0.878 nan 8.240 nan 0.000 0.547 218 G N 1.348 110.206 108.800 0.097 0.000 2.572 218 G HA2 0.593 4.579 3.960 0.043 0.000 0.261 218 G HA3 0.593 4.579 3.960 0.043 0.000 0.261 218 G C 0.121 175.083 174.900 0.103 0.000 1.197 218 G CA -0.114 45.054 45.100 0.113 0.000 0.870 218 G HN 1.177 nan 8.290 nan 0.000 0.548 219 G N -1.794 107.073 108.800 0.110 0.000 2.376 219 G HA2 0.701 4.686 3.960 0.043 0.000 0.302 219 G HA3 0.701 4.686 3.960 0.043 0.000 0.302 219 G C -0.302 174.599 174.900 0.002 0.000 1.586 219 G CA 0.397 45.525 45.100 0.047 0.000 0.907 219 G HN 2.058 nan 8.290 nan 0.000 0.655 220 G N -1.719 106.987 108.800 -0.157 0.000 2.455 220 G HA2 0.579 4.565 3.960 0.043 0.000 0.223 220 G HA3 0.579 4.565 3.960 0.043 0.000 0.223 220 G C -1.775 172.976 174.900 -0.248 0.000 1.226 220 G CA 0.452 45.264 45.100 -0.480 0.000 0.948 220 G HN 1.679 nan 8.290 nan 0.000 0.478 221 V N 0.958 120.799 119.914 -0.121 0.000 2.483 221 V HA 0.651 4.797 4.120 0.043 0.000 0.297 221 V C 0.640 176.773 176.094 0.066 0.000 1.027 221 V CA -0.304 61.986 62.300 -0.016 0.000 0.855 221 V CB 1.208 33.024 31.823 -0.012 0.000 0.995 221 V HN 1.043 nan 8.190 nan 0.000 0.424 222 S N 3.646 119.397 115.700 0.084 0.000 2.568 222 S HA 0.179 4.674 4.470 0.043 0.000 0.282 222 S C 0.970 175.617 174.600 0.079 0.000 1.338 222 S CA -0.013 58.267 58.200 0.132 0.000 1.045 222 S CB 0.436 63.769 63.200 0.222 0.000 0.873 222 S HN 0.794 nan 8.310 nan 0.000 0.516 223 R N 3.153 123.694 120.500 0.069 0.000 2.397 223 R HA 0.357 4.722 4.340 0.043 0.000 0.241 223 R C 0.973 177.247 176.300 -0.044 0.000 0.914 223 R CA 0.239 56.352 56.100 0.022 0.000 1.071 223 R CB 0.024 30.348 30.300 0.040 0.000 1.116 223 R HN 0.771 nan 8.270 nan 0.000 0.524 224 I N -0.760 119.754 120.570 -0.094 0.000 3.565 224 I HA 0.154 4.350 4.170 0.043 0.000 0.287 224 I C -0.273 175.570 176.117 -0.457 0.000 1.193 224 I CA 0.056 61.161 61.300 -0.325 0.000 1.402 224 I CB 0.428 38.120 38.000 -0.514 0.000 1.284 224 I HN -0.102 nan 8.210 nan 0.000 0.454 225 F N 2.540 122.485 119.950 -0.008 0.000 2.410 225 F HA 0.385 4.943 4.527 0.051 0.000 0.349 225 F C -2.224 173.531 175.800 -0.074 0.000 1.117 225 F CA -2.498 55.485 58.000 -0.028 0.000 1.104 225 F CB 0.267 39.263 39.000 -0.007 0.000 1.122 225 F HN -0.274 nan 8.300 nan 0.000 0.483 226 P HA -0.025 nan 4.420 nan 0.000 0.270 226 P C -0.597 176.632 177.300 -0.119 0.000 1.223 226 P CA -0.416 62.661 63.100 -0.039 0.000 0.785 226 P CB 0.589 32.260 31.700 -0.048 0.000 0.923 227 L N 4.336 125.448 121.223 -0.185 0.000 2.562 227 L HA 0.182 4.547 4.340 0.043 0.000 0.271 227 L C -2.220 174.390 176.870 -0.434 0.000 1.167 227 L CA -1.241 53.408 54.840 -0.319 0.000 0.917 227 L CB -0.807 41.077 42.059 -0.290 0.000 1.187 227 L HN 0.282 nan 8.230 nan 0.000 0.482 228 P HA 0.131 nan 4.420 nan 0.000 0.269 228 P C 0.537 177.324 177.300 -0.855 0.000 1.209 228 P CA 0.044 62.580 63.100 -0.941 0.000 0.776 228 P CB 0.714 31.291 31.700 -1.871 0.000 0.876 229 S N 2.390 117.752 115.700 -0.563 0.000 2.374 229 S HA -0.189 4.307 4.470 0.043 0.000 0.227 229 S C 1.585 176.001 174.600 -0.306 0.000 1.037 229 S CA 1.071 59.079 58.200 -0.319 0.000 1.024 229 S CB -1.301 61.824 63.200 -0.125 0.000 0.861 229 S HN 0.703 nan 8.310 nan 0.000 0.456 230 W N 1.095 122.278 121.300 -0.195 0.000 2.825 230 W HA 0.242 4.912 4.660 0.016 0.000 0.243 230 W C 1.582 177.881 176.519 -0.367 0.000 1.293 230 W CA 0.499 57.710 57.345 -0.224 0.000 1.403 230 W CB -0.613 28.717 29.460 -0.216 0.000 1.134 230 W HN 0.438 nan 8.180 nan 0.000 0.666 231 Q N 0.873 120.221 119.800 -0.752 0.000 2.247 231 Q HA 0.009 4.375 4.340 0.043 0.000 0.211 231 Q C 1.469 177.158 176.000 -0.518 0.000 0.861 231 Q CA -0.010 55.307 55.803 -0.810 0.000 0.949 231 Q CB 0.214 28.173 28.738 -1.298 0.000 1.115 231 Q HN 0.301 nan 8.270 nan 0.000 0.507 232 E N 0.081 120.053 120.200 -0.380 0.000 2.409 232 E HA -0.127 4.248 4.350 0.043 0.000 0.198 232 E C 0.911 177.409 176.600 -0.169 0.000 1.024 232 E CA 0.599 56.842 56.400 -0.263 0.000 0.861 232 E CB 0.246 29.823 29.700 -0.205 0.000 0.788 232 E HN 0.187 nan 8.360 nan 0.000 0.521 233 R N -0.440 119.988 120.500 -0.120 0.000 2.468 233 R HA 0.231 4.597 4.340 0.043 0.000 0.280 233 R C 1.341 177.627 176.300 -0.023 0.000 0.963 233 R CA 0.097 56.166 56.100 -0.051 0.000 1.083 233 R CB 0.714 31.009 30.300 -0.008 0.000 1.200 233 R HN -0.015 nan 8.270 nan 0.000 0.541 234 A N 0.841 123.612 122.820 -0.082 0.000 2.178 234 A HA 0.022 4.367 4.320 0.043 0.000 0.211 234 A C 0.255 177.825 177.584 -0.023 0.000 1.157 234 A CA 0.210 52.224 52.037 -0.039 0.000 0.780 234 A CB -0.261 18.603 19.000 -0.227 0.000 0.828 234 A HN 0.544 nan 8.150 nan 0.000 0.476 235 N N -1.140 117.512 118.700 -0.081 0.000 2.783 235 N HA -0.124 4.641 4.740 0.043 0.000 0.247 235 N C -0.605 174.898 175.510 -0.011 0.000 1.089 235 N CA 0.231 53.268 53.050 -0.023 0.000 0.690 235 N CB -1.498 37.021 38.487 0.053 0.000 0.991 235 N HN 0.200 nan 8.380 nan 0.000 0.552 236 V N 1.203 120.982 119.914 -0.224 0.000 2.585 236 V HA 0.182 4.327 4.120 0.043 0.000 0.296 236 V C -0.684 175.374 176.094 -0.059 0.000 1.035 236 V CA -0.485 61.653 62.300 -0.270 0.000 1.084 236 V CB 0.324 31.805 31.823 -0.570 0.000 0.953 236 V HN 0.192 nan 8.190 nan 0.000 0.483 237 P HA 0.428 nan 4.420 nan 0.000 0.279 237 P C -2.738 174.587 177.300 0.041 0.000 1.276 237 P CA -1.775 61.364 63.100 0.065 0.000 0.801 237 P CB 0.493 32.276 31.700 0.137 0.000 1.127 238 P HA 0.041 nan 4.420 nan 0.000 0.274 238 P C 0.178 177.537 177.300 0.097 0.000 1.246 238 P CA -0.114 63.010 63.100 0.040 0.000 0.795 238 P CB 0.371 32.088 31.700 0.028 0.000 1.006 239 S N 0.122 115.878 115.700 0.093 0.000 2.568 239 S HA 0.182 4.677 4.470 0.043 0.000 0.282 239 S C 1.492 176.181 174.600 0.148 0.000 1.338 239 S CA 0.103 58.399 58.200 0.160 0.000 1.045 239 S CB -0.210 63.063 63.200 0.121 0.000 0.873 239 S HN 0.494 nan 8.310 nan 0.000 0.516 240 A N 4.291 127.204 122.820 0.154 0.000 2.167 240 A HA 0.143 4.489 4.320 0.043 0.000 0.214 240 A C 0.799 178.442 177.584 0.098 0.000 1.151 240 A CA 0.181 52.200 52.037 -0.029 0.000 0.735 240 A CB -0.734 17.952 19.000 -0.523 0.000 0.802 240 A HN 0.902 nan 8.150 nan 0.000 0.467 241 N N 1.875 120.672 118.700 0.162 0.000 2.513 241 N HA 0.220 4.986 4.740 0.043 0.000 0.268 241 N C -2.647 172.907 175.510 0.073 0.000 1.180 241 N CA -1.245 51.886 53.050 0.135 0.000 0.948 241 N CB 0.564 39.109 38.487 0.096 0.000 1.083 241 N HN 0.202 nan 8.380 nan 0.000 0.455 242 P HA -0.070 nan 4.420 nan 0.000 0.262 242 P C 0.685 178.000 177.300 0.026 0.000 1.182 242 P CA 0.672 63.791 63.100 0.032 0.000 0.761 242 P CB 0.704 32.417 31.700 0.022 0.000 0.795 243 G N 2.123 110.936 108.800 0.021 0.000 2.307 243 G HA2 0.005 3.990 3.960 0.043 0.000 0.210 243 G HA3 0.005 3.990 3.960 0.043 0.000 0.210 243 G C 0.526 175.436 174.900 0.018 0.000 1.005 243 G CA 0.395 45.505 45.100 0.016 0.000 0.634 243 G HN 0.859 nan 8.290 nan 0.000 0.496 244 A N -0.705 122.132 122.820 0.029 0.000 5.584 244 A HA 0.471 4.817 4.320 0.043 0.000 0.303 244 A C 1.712 179.311 177.584 0.025 0.000 1.923 244 A CA 2.724 54.781 52.037 0.034 0.000 0.717 244 A CB -1.570 17.444 19.000 0.025 0.000 1.281 244 A HN 3.235 nan 8.150 nan 0.000 0.379 245 G N -3.078 105.731 108.800 0.014 0.000 2.640 245 G HA2 0.487 4.473 3.960 0.043 0.000 0.686 245 G HA3 0.487 4.473 3.960 0.043 0.000 0.686 245 G C -0.229 174.667 174.900 -0.006 0.000 1.229 245 G CA 0.829 45.930 45.100 0.000 0.000 0.796 245 G HN 2.410 nan 8.290 nan 0.000 0.654 246 S N -0.107 115.576 115.700 -0.029 0.000 2.562 246 S HA 0.914 5.410 4.470 0.043 0.000 0.275 246 S C 0.747 175.310 174.600 -0.063 0.000 1.281 246 S CA 1.026 59.193 58.200 -0.055 0.000 1.045 246 S CB 1.121 64.275 63.200 -0.077 0.000 0.962 246 S HN 2.254 nan 8.310 nan 0.000 0.503 247 G N 2.820 111.570 108.800 -0.084 0.000 2.608 247 G HA2 0.381 4.367 3.960 0.043 0.000 0.291 247 G HA3 0.381 4.367 3.960 0.043 0.000 0.291 247 G C -1.349 173.476 174.900 -0.123 0.000 1.425 247 G CA -0.923 44.135 45.100 -0.070 0.000 0.787 247 G HN 0.692 nan 8.290 nan 0.000 0.484 248 R N 0.266 120.712 120.500 -0.090 0.000 2.502 248 R HA 0.250 4.615 4.340 0.043 0.000 0.292 248 R C 0.521 176.753 176.300 -0.114 0.000 0.998 248 R CA 0.452 56.456 56.100 -0.161 0.000 1.056 248 R CB 0.024 30.288 30.300 -0.060 0.000 0.939 248 R HN 0.701 nan 8.270 nan 0.000 0.411 249 G N 2.774 111.438 108.800 -0.227 0.000 2.372 249 G HA2 0.433 4.419 3.960 0.043 0.000 0.283 249 G HA3 0.433 4.419 3.960 0.043 0.000 0.283 249 G C -0.854 174.213 174.900 0.279 0.000 1.177 249 G CA -0.538 44.530 45.100 -0.053 0.000 0.842 249 G HN 0.438 nan 8.290 nan 0.000 0.503 250 V N 4.913 125.038 119.914 0.351 0.000 2.604 250 V HA 0.539 4.684 4.120 0.043 0.000 0.305 250 V C -1.834 174.383 176.094 0.206 0.000 1.043 250 V CA -1.349 61.120 62.300 0.282 0.000 0.888 250 V CB 2.412 34.333 31.823 0.163 0.000 0.995 250 V HN 0.714 nan 8.190 nan 0.000 0.429 251 P HA 0.429 nan 4.420 nan 0.000 0.310 251 P C -0.428 177.071 177.300 0.331 0.000 1.309 251 P CA -0.274 62.938 63.100 0.187 0.000 0.769 251 P CB 1.929 33.689 31.700 0.100 0.000 1.327 252 D N -1.545 119.026 120.400 0.285 0.000 2.323 252 D HA 0.093 4.759 4.640 0.043 0.000 0.218 252 D C 0.773 177.112 176.300 0.064 0.000 0.973 252 D CA 1.148 55.354 54.000 0.344 0.000 0.890 252 D CB 0.488 41.466 40.800 0.297 0.000 1.011 252 D HN 0.260 nan 8.370 nan 0.000 0.499 253 V N -2.728 117.212 119.914 0.044 0.000 3.165 253 V HA 0.925 5.071 4.120 0.043 0.000 0.309 253 V C -1.432 174.733 176.094 0.118 0.000 1.267 253 V CA -1.047 61.247 62.300 -0.011 0.000 1.067 253 V CB 1.860 33.642 31.823 -0.068 0.000 1.082 253 V HN 0.070 nan 8.190 nan 0.000 0.451 254 A N -0.686 122.243 122.820 0.181 0.000 2.606 254 A HA 1.060 5.406 4.320 0.043 0.000 0.293 254 A C -0.256 177.532 177.584 0.340 0.000 1.082 254 A CA -0.112 52.074 52.037 0.249 0.000 0.685 254 A CB 1.508 20.585 19.000 0.128 0.000 1.284 254 A HN 2.471 nan 8.150 nan 0.000 0.408 255 G N -0.208 108.753 108.800 0.269 0.000 2.682 255 G HA2 0.477 4.463 3.960 0.043 0.000 0.290 255 G HA3 0.477 4.463 3.960 0.043 0.000 0.290 255 G C -0.974 174.067 174.900 0.235 0.000 1.425 255 G CA -0.751 44.508 45.100 0.266 0.000 0.807 255 G HN 0.983 nan 8.290 nan 0.000 0.482 256 N N -0.237 118.642 118.700 0.299 0.000 2.365 256 N HA 0.325 5.091 4.740 0.043 0.000 0.265 256 N C 0.773 176.342 175.510 0.098 0.000 1.288 256 N CA 1.125 54.248 53.050 0.122 0.000 0.869 256 N CB 1.012 39.466 38.487 -0.055 0.000 1.071 256 N HN 0.793 nan 8.380 nan 0.000 0.480 257 A N 2.852 125.629 122.820 -0.070 0.000 2.530 257 A HA 0.096 4.442 4.320 0.043 0.000 0.214 257 A C 0.140 177.214 177.584 -0.850 0.000 1.352 257 A CA -0.345 51.517 52.037 -0.291 0.000 1.035 257 A CB -0.000 18.863 19.000 -0.228 0.000 1.296 257 A HN 0.647 nan 8.150 nan 0.000 0.563 258 D N 1.345 121.288 120.400 -0.762 0.000 2.382 258 D HA 0.182 4.848 4.640 0.043 0.000 0.259 258 D C -1.675 174.347 176.300 -0.463 0.000 1.224 258 D CA -1.443 52.016 54.000 -0.902 0.000 0.894 258 D CB 1.299 41.926 40.800 -0.289 0.000 1.127 258 D HN 0.024 nan 8.370 nan 0.000 0.487 259 P HA -0.116 nan 4.420 nan 0.000 0.219 259 P C 0.774 178.012 177.300 -0.103 0.000 1.146 259 P CA 1.191 64.197 63.100 -0.157 0.000 0.808 259 P CB 0.203 31.877 31.700 -0.045 0.000 0.779 260 A N -0.901 121.878 122.820 -0.067 0.000 2.172 260 A HA -0.040 4.306 4.320 0.043 0.000 0.216 260 A C 1.378 178.900 177.584 -0.103 0.000 1.154 260 A CA 1.765 53.773 52.037 -0.048 0.000 0.701 260 A CB -1.157 17.851 19.000 0.014 0.000 0.789 260 A HN 0.322 nan 8.150 nan 0.000 0.465 261 T N -3.794 110.675 114.554 -0.141 0.000 3.633 261 T HA 0.501 4.877 4.350 0.043 0.000 0.278 261 T C 0.622 175.185 174.700 -0.227 0.000 0.991 261 T CA 0.197 62.181 62.100 -0.193 0.000 1.036 261 T CB -0.025 68.817 68.868 -0.044 0.000 1.148 261 T HN 0.385 nan 8.240 nan 0.000 0.501 262 G N 0.665 109.324 108.800 -0.236 0.000 2.525 262 G HA2 0.489 4.474 3.960 0.043 0.000 0.276 262 G HA3 0.489 4.474 3.960 0.043 0.000 0.276 262 G C -1.015 173.702 174.900 -0.305 0.000 1.388 262 G CA -0.753 44.205 45.100 -0.238 0.000 1.050 262 G HN 0.484 nan 8.290 nan 0.000 0.520 263 Y N -0.335 119.947 120.300 -0.031 0.000 2.330 263 Y HA 0.302 4.877 4.550 0.041 0.000 0.336 263 Y C 0.718 176.619 175.900 0.001 0.000 1.036 263 Y CA -0.568 57.535 58.100 0.006 0.000 1.125 263 Y CB 1.444 39.899 38.460 -0.010 0.000 1.194 263 Y HN 0.396 nan 8.280 nan 0.000 0.469 264 E N 4.281 124.577 120.200 0.160 0.000 2.290 264 E HA 0.399 4.774 4.350 0.043 0.000 0.277 264 E C -1.144 175.589 176.600 0.221 0.000 1.035 264 E CA -0.144 56.336 56.400 0.134 0.000 0.873 264 E CB 0.652 30.416 29.700 0.107 0.000 1.029 264 E HN 0.587 nan 8.360 nan 0.000 0.419 265 V N 0.900 120.868 119.914 0.090 0.000 3.181 265 V HA 0.586 4.732 4.120 0.043 0.000 0.308 265 V C -0.773 175.247 176.094 -0.124 0.000 1.214 265 V CA -1.024 61.188 62.300 -0.146 0.000 1.053 265 V CB 1.983 33.656 31.823 -0.250 0.000 1.069 265 V HN 0.296 nan 8.190 nan 0.000 0.441 266 V N 3.303 123.041 119.914 -0.294 0.000 2.350 266 V HA 0.530 4.675 4.120 0.043 0.000 0.285 266 V C -0.693 175.305 176.094 -0.161 0.000 1.014 266 V CA -0.268 61.954 62.300 -0.129 0.000 0.831 266 V CB 1.159 32.959 31.823 -0.038 0.000 1.000 266 V HN 0.676 nan 8.190 nan 0.000 0.433 267 I N 3.792 124.306 120.570 -0.094 0.000 2.355 267 I HA 0.434 4.629 4.170 0.043 0.000 0.288 267 I C 0.182 176.275 176.117 -0.040 0.000 0.999 267 I CA -0.430 60.827 61.300 -0.072 0.000 1.163 267 I CB 1.135 39.101 38.000 -0.056 0.000 1.316 267 I HN 0.613 nan 8.210 nan 0.000 0.454 268 D N 5.643 126.026 120.400 -0.029 0.000 2.697 268 D HA -0.182 4.484 4.640 0.043 0.000 0.235 268 D C 1.349 177.640 176.300 -0.016 0.000 1.167 268 D CA 1.595 55.584 54.000 -0.017 0.000 0.656 268 D CB -0.960 39.831 40.800 -0.015 0.000 1.025 268 D HN 1.120 nan 8.370 nan 0.000 0.419 269 G N -0.254 108.536 108.800 -0.017 0.000 2.245 269 G HA2 -0.379 3.606 3.960 0.043 0.000 0.264 269 G HA3 -0.379 3.606 3.960 0.043 0.000 0.264 269 G C 0.164 175.059 174.900 -0.008 0.000 0.985 269 G CA 0.572 45.666 45.100 -0.010 0.000 0.625 269 G HN 0.653 nan 8.290 nan 0.000 0.536 270 E N 1.169 121.361 120.200 -0.014 0.000 2.156 270 E HA 0.519 4.895 4.350 0.043 0.000 0.279 270 E C -0.348 176.246 176.600 -0.010 0.000 0.965 270 E CA -0.332 56.062 56.400 -0.010 0.000 0.789 270 E CB 0.619 30.312 29.700 -0.011 0.000 1.098 270 E HN 0.084 nan 8.360 nan 0.000 0.397 271 T N 3.568 118.123 114.554 0.002 0.000 2.794 271 T HA 0.264 4.640 4.350 0.043 0.000 0.296 271 T C -0.145 174.557 174.700 0.004 0.000 0.949 271 T CA 0.040 62.148 62.100 0.014 0.000 1.101 271 T CB 1.217 70.101 68.868 0.027 0.000 0.905 271 T HN 0.521 nan 8.240 nan 0.000 0.516 272 T N 1.886 116.442 114.554 0.002 0.000 2.645 272 T HA 0.603 4.978 4.350 0.043 0.000 0.300 272 T C -1.659 173.041 174.700 -0.000 0.000 1.210 272 T CA -0.484 61.614 62.100 -0.004 0.000 1.034 272 T CB 1.129 69.990 68.868 -0.010 0.000 1.537 272 T HN 0.284 nan 8.240 nan 0.000 0.492 273 V N 1.956 121.866 119.914 -0.006 0.000 2.540 273 V HA 0.749 4.894 4.120 0.043 0.000 0.302 273 V C -0.539 175.556 176.094 0.002 0.000 1.035 273 V CA -0.695 61.603 62.300 -0.003 0.000 0.873 273 V CB 1.445 33.249 31.823 -0.030 0.000 0.992 273 V HN 0.792 nan 8.190 nan 0.000 0.428 274 I N 2.282 122.868 120.570 0.027 0.000 2.722 274 I HA 0.842 5.038 4.170 0.043 0.000 0.295 274 I C 0.254 176.406 176.117 0.059 0.000 1.161 274 I CA -0.094 61.219 61.300 0.022 0.000 1.032 274 I CB 2.298 40.300 38.000 0.003 0.000 1.244 274 I HN 0.766 nan 8.210 nan 0.000 0.421 275 G N 3.088 111.884 108.800 -0.007 0.000 3.257 275 G HA2 0.818 4.803 3.960 0.043 0.000 0.205 275 G HA3 0.818 4.803 3.960 0.043 0.000 0.205 275 G C -0.366 174.460 174.900 -0.124 0.000 1.234 275 G CA -0.574 44.485 45.100 -0.068 0.000 0.918 275 G HN 1.289 nan 8.290 nan 0.000 0.602 276 G N -2.401 106.194 108.800 -0.341 0.000 2.629 276 G HA2 0.288 4.274 3.960 0.043 0.000 0.686 276 G HA3 0.288 4.274 3.960 0.043 0.000 0.686 276 G C 0.759 175.625 174.900 -0.057 0.000 1.232 276 G CA 0.617 45.615 45.100 -0.171 0.000 0.803 276 G HN 1.742 nan 8.290 nan 0.000 0.638 277 T N -1.578 113.060 114.554 0.141 0.000 3.051 277 T HA 0.026 4.402 4.350 0.043 0.000 0.269 277 T C 2.351 177.080 174.700 0.049 0.000 1.127 277 T CA 2.043 64.220 62.100 0.129 0.000 1.107 277 T CB -0.099 68.903 68.868 0.223 0.000 0.898 277 T HN 0.877 nan 8.240 nan 0.000 0.517 278 S N 1.569 117.290 115.700 0.034 0.000 2.442 278 S HA 0.100 4.596 4.470 0.043 0.000 0.236 278 S C 2.427 176.977 174.600 -0.083 0.000 1.007 278 S CA 0.822 59.019 58.200 -0.005 0.000 0.965 278 S CB -0.515 62.685 63.200 0.001 0.000 0.773 278 S HN 0.806 nan 8.310 nan 0.000 0.504 279 A N 0.690 123.426 122.820 -0.138 0.000 2.021 279 A HA 0.111 4.456 4.320 0.043 0.000 0.216 279 A C 2.169 179.573 177.584 -0.301 0.000 1.163 279 A CA 0.683 52.533 52.037 -0.311 0.000 0.676 279 A CB -0.382 18.311 19.000 -0.512 0.000 0.818 279 A HN 0.358 nan 8.150 nan 0.000 0.453 280 V N -0.140 119.657 119.914 -0.194 0.000 2.453 280 V HA -0.161 3.985 4.120 0.043 0.000 0.247 280 V C 2.987 178.921 176.094 -0.268 0.000 1.048 280 V CA 1.626 63.755 62.300 -0.285 0.000 1.049 280 V CB -1.207 30.521 31.823 -0.158 0.000 0.672 280 V HN 0.555 nan 8.190 nan 0.000 0.457 281 A N 1.285 124.050 122.820 -0.092 0.000 1.877 281 A HA -0.100 4.246 4.320 0.043 0.000 0.216 281 A C 0.737 178.312 177.584 -0.016 0.000 1.186 281 A CA 2.071 54.103 52.037 -0.008 0.000 0.620 281 A CB -1.892 17.116 19.000 0.013 0.000 0.822 281 A HN 0.567 nan 8.150 nan 0.000 0.443 282 P HA -0.118 nan 4.420 nan 0.000 0.218 282 P C 1.686 178.980 177.300 -0.010 0.000 1.149 282 P CA 0.948 64.028 63.100 -0.034 0.000 0.817 282 P CB -0.173 31.485 31.700 -0.070 0.000 0.785 283 L N -0.781 120.384 121.223 -0.097 0.000 2.012 283 L HA -0.112 4.254 4.340 0.043 0.000 0.210 283 L C 2.180 179.180 176.870 0.216 0.000 1.073 283 L CA 2.124 56.949 54.840 -0.025 0.000 0.748 283 L CB -1.439 40.464 42.059 -0.259 0.000 0.891 283 L HN -0.219 nan 8.230 nan 0.000 0.431 284 F N -0.189 119.852 119.950 0.151 0.000 2.456 284 F HA 0.184 4.726 4.527 0.024 0.000 0.298 284 F C 2.458 178.258 175.800 0.001 0.000 1.104 284 F CA 0.303 58.343 58.000 0.066 0.000 1.435 284 F CB -1.611 37.410 39.000 0.034 0.000 1.078 284 F HN 0.199 nan 8.300 nan 0.000 0.546 285 A N 0.219 123.146 122.820 0.178 0.000 1.933 285 A HA -0.011 4.335 4.320 0.043 0.000 0.218 285 A C 2.495 180.125 177.584 0.077 0.000 1.175 285 A CA 1.661 53.754 52.037 0.093 0.000 0.628 285 A CB -1.085 17.952 19.000 0.061 0.000 0.814 285 A HN 0.254 nan 8.150 nan 0.000 0.444 286 A N -0.426 122.468 122.820 0.123 0.000 1.898 286 A HA -0.007 4.339 4.320 0.043 0.000 0.216 286 A C 2.118 179.739 177.584 0.062 0.000 1.181 286 A CA 1.687 53.805 52.037 0.135 0.000 0.620 286 A CB -0.598 18.548 19.000 0.244 0.000 0.819 286 A HN 0.723 nan 8.150 nan 0.000 0.442 287 L N 0.049 121.242 121.223 -0.050 0.000 2.017 287 L HA -0.103 4.263 4.340 0.043 0.000 0.208 287 L C 2.316 179.045 176.870 -0.235 0.000 1.073 287 L CA 2.009 56.575 54.840 -0.457 0.000 0.745 287 L CB -0.631 40.965 42.059 -0.772 0.000 0.894 287 L HN 0.136 nan 8.230 nan 0.000 0.432 288 V N 0.221 120.062 119.914 -0.120 0.000 2.407 288 V HA -0.260 3.885 4.120 0.043 0.000 0.248 288 V C 2.820 178.878 176.094 -0.060 0.000 1.055 288 V CA 1.483 63.730 62.300 -0.088 0.000 1.049 288 V CB -1.377 30.419 31.823 -0.045 0.000 0.662 288 V HN 0.625 nan 8.190 nan 0.000 0.455 289 A N 0.041 122.841 122.820 -0.033 0.000 1.933 289 A HA -0.207 4.139 4.320 0.043 0.000 0.218 289 A C 2.396 179.965 177.584 -0.025 0.000 1.175 289 A CA 1.670 53.697 52.037 -0.016 0.000 0.628 289 A CB -0.434 18.570 19.000 0.006 0.000 0.814 289 A HN 0.511 nan 8.150 nan 0.000 0.444 290 R N -1.073 119.405 120.500 -0.038 0.000 2.075 290 R HA -0.056 4.309 4.340 0.043 0.000 0.232 290 R C 1.864 178.131 176.300 -0.055 0.000 1.126 290 R CA 1.382 57.460 56.100 -0.036 0.000 0.963 290 R CB -0.469 29.809 30.300 -0.035 0.000 0.858 290 R HN 0.461 nan 8.270 nan 0.000 0.435 291 I N 1.564 122.083 120.570 -0.085 0.000 2.202 291 I HA -0.245 3.951 4.170 0.043 0.000 0.242 291 I C 1.766 177.848 176.117 -0.059 0.000 1.091 291 I CA 1.374 62.623 61.300 -0.085 0.000 1.368 291 I CB -0.530 37.401 38.000 -0.115 0.000 1.058 291 I HN 0.078 nan 8.210 nan 0.000 0.410 292 N N 0.176 118.846 118.700 -0.050 0.000 2.104 292 N HA -0.242 4.524 4.740 0.043 0.000 0.190 292 N C 1.829 177.324 175.510 -0.026 0.000 1.024 292 N CA 1.075 54.104 53.050 -0.034 0.000 0.853 292 N CB -0.418 38.054 38.487 -0.025 0.000 1.008 292 N HN 0.503 nan 8.380 nan 0.000 0.424 293 Q N 0.614 120.400 119.800 -0.024 0.000 2.061 293 Q HA -0.195 4.170 4.340 0.043 0.000 0.204 293 Q C 1.814 177.802 176.000 -0.019 0.000 0.984 293 Q CA 1.661 57.454 55.803 -0.017 0.000 0.846 293 Q CB 0.013 28.743 28.738 -0.014 0.000 0.902 293 Q HN 0.061 nan 8.270 nan 0.000 0.421 294 K N 0.545 120.930 120.400 -0.025 0.000 2.026 294 K HA -0.093 4.252 4.320 0.043 0.000 0.208 294 K C 1.975 178.560 176.600 -0.026 0.000 1.048 294 K CA 1.359 57.630 56.287 -0.025 0.000 0.929 294 K CB -0.420 32.061 32.500 -0.032 0.000 0.713 294 K HN 0.299 nan 8.250 nan 0.000 0.439 295 L N -0.991 120.214 121.223 -0.031 0.000 2.201 295 L HA 0.033 4.398 4.340 0.043 0.000 0.212 295 L C 1.554 178.411 176.870 -0.021 0.000 1.105 295 L CA 0.947 55.770 54.840 -0.029 0.000 0.775 295 L CB -0.565 41.473 42.059 -0.035 0.000 0.913 295 L HN 0.632 nan 8.230 nan 0.000 0.440 296 G N 0.824 109.613 108.800 -0.019 0.000 2.179 296 G HA2 -0.308 3.678 3.960 0.043 0.000 0.260 296 G HA3 -0.308 3.678 3.960 0.043 0.000 0.260 296 G C 0.113 175.006 174.900 -0.011 0.000 0.977 296 G CA 0.719 45.812 45.100 -0.013 0.000 0.641 296 G HN 0.514 nan 8.290 nan 0.000 0.533 297 K N -0.517 119.874 120.400 -0.014 0.000 2.543 297 K HA 0.691 5.037 4.320 0.043 0.000 0.255 297 K C -2.995 173.596 176.600 -0.015 0.000 0.934 297 K CA -2.098 54.182 56.287 -0.012 0.000 0.810 297 K CB 2.011 34.504 32.500 -0.011 0.000 1.315 297 K HN 0.026 nan 8.250 nan 0.000 0.433 298 P HA -0.067 nan 4.420 nan 0.000 0.268 298 P C 0.959 178.249 177.300 -0.016 0.000 1.204 298 P CA -0.484 62.608 63.100 -0.013 0.000 0.768 298 P CB 0.954 32.651 31.700 -0.005 0.000 0.842 299 V N 0.369 120.267 119.914 -0.025 0.000 2.809 299 V HA 0.093 4.238 4.120 0.043 0.000 0.256 299 V C 1.469 177.553 176.094 -0.016 0.000 1.080 299 V CA 1.205 63.485 62.300 -0.034 0.000 1.102 299 V CB -1.907 29.881 31.823 -0.057 0.000 0.705 299 V HN 0.884 nan 8.190 nan 0.000 0.475 300 G N 0.139 108.940 108.800 0.002 0.000 2.611 300 G HA2 -0.411 3.575 3.960 0.043 0.000 0.301 300 G HA3 -0.411 3.575 3.960 0.043 0.000 0.301 300 G C 0.046 174.994 174.900 0.079 0.000 1.233 300 G CA 0.678 45.800 45.100 0.037 0.000 0.993 300 G HN 1.001 nan 8.290 nan 0.000 0.553 301 Y N 1.313 121.584 120.300 -0.049 0.000 2.650 301 Y HA 0.406 4.974 4.550 0.030 0.000 0.342 301 Y C 1.667 177.496 175.900 -0.119 0.000 1.110 301 Y CA -0.151 57.908 58.100 -0.069 0.000 1.438 301 Y CB 0.092 38.535 38.460 -0.028 0.000 1.181 301 Y HN 0.398 nan 8.280 nan 0.000 0.526 302 L N 5.359 126.420 121.223 -0.269 0.000 2.463 302 L HA -0.038 4.328 4.340 0.043 0.000 0.219 302 L C 1.759 178.299 176.870 -0.550 0.000 1.088 302 L CA 0.204 54.836 54.840 -0.347 0.000 0.849 302 L CB -0.195 41.752 42.059 -0.186 0.000 1.012 302 L HN 0.744 nan 8.230 nan 0.000 0.468 303 N N 0.928 119.124 118.700 -0.840 0.000 2.037 303 N HA -0.228 4.537 4.740 0.043 0.000 0.196 303 N C -1.033 173.846 175.510 -1.052 0.000 1.034 303 N CA 1.542 54.013 53.050 -0.965 0.000 0.861 303 N CB -1.066 36.593 38.487 -1.381 0.000 1.039 303 N HN 0.232 nan 8.380 nan 0.000 0.427 304 P HA -0.095 nan 4.420 nan 0.000 0.215 304 P C 1.298 178.426 177.300 -0.286 0.000 1.153 304 P CA 1.476 64.106 63.100 -0.783 0.000 0.853 304 P CB -0.073 31.244 31.700 -0.640 0.000 0.788 305 T N -0.220 114.156 114.554 -0.296 0.000 2.708 305 T HA -0.101 4.275 4.350 0.043 0.000 0.266 305 T C 1.764 176.426 174.700 -0.062 0.000 1.037 305 T CA 1.060 63.075 62.100 -0.143 0.000 1.146 305 T CB -1.025 67.752 68.868 -0.150 0.000 0.865 305 T HN 0.043 nan 8.240 nan 0.000 0.435 306 L N -0.328 120.849 121.223 -0.077 0.000 2.043 306 L HA -0.176 4.190 4.340 0.043 0.000 0.212 306 L C 2.313 179.167 176.870 -0.026 0.000 1.075 306 L CA 1.696 56.533 54.840 -0.004 0.000 0.752 306 L CB -0.678 41.343 42.059 -0.063 0.000 0.891 306 L HN 0.320 nan 8.230 nan 0.000 0.432 307 Y N 0.256 120.529 120.300 -0.044 0.000 2.571 307 Y HA -0.185 4.382 4.550 0.028 0.000 0.294 307 Y C 2.354 178.269 175.900 0.025 0.000 1.141 307 Y CA 0.802 58.909 58.100 0.011 0.000 1.308 307 Y CB -0.227 38.294 38.460 0.102 0.000 1.002 307 Y HN 0.435 nan 8.280 nan 0.000 0.551 308 Q N -0.954 118.920 119.800 0.124 0.000 2.247 308 Q HA 0.234 4.599 4.340 0.043 0.000 0.211 308 Q C -0.044 175.988 176.000 0.055 0.000 0.861 308 Q CA 0.138 55.990 55.803 0.081 0.000 0.949 308 Q CB -0.075 28.698 28.738 0.058 0.000 1.115 308 Q HN 0.270 nan 8.270 nan 0.000 0.507 309 L N 2.995 124.256 121.223 0.063 0.000 2.464 309 L HA 0.339 4.705 4.340 0.043 0.000 0.264 309 L C -1.785 175.129 176.870 0.074 0.000 1.199 309 L CA -2.191 52.682 54.840 0.055 0.000 0.818 309 L CB 0.029 42.124 42.059 0.061 0.000 1.102 309 L HN 0.110 nan 8.230 nan 0.000 0.473 310 P HA 0.100 nan 4.420 nan 0.000 0.271 310 P C -2.236 175.116 177.300 0.086 0.000 1.216 310 P CA -1.423 61.704 63.100 0.045 0.000 0.776 310 P CB 0.306 32.015 31.700 0.015 0.000 0.881 311 P HA -0.168 nan 4.420 nan 0.000 0.226 311 P C 0.951 178.321 177.300 0.117 0.000 1.146 311 P CA 1.226 64.410 63.100 0.140 0.000 0.773 311 P CB -0.032 31.713 31.700 0.075 0.000 0.772 312 E N -0.361 119.866 120.200 0.046 0.000 2.338 312 E HA -0.079 4.297 4.350 0.043 0.000 0.197 312 E C 1.656 178.226 176.600 -0.049 0.000 1.007 312 E CA 0.622 57.026 56.400 0.007 0.000 0.849 312 E CB -1.486 28.210 29.700 -0.007 0.000 0.774 312 E HN 0.046 nan 8.360 nan 0.000 0.506 313 V N -0.082 119.761 119.914 -0.117 0.000 2.809 313 V HA -0.018 4.128 4.120 0.043 0.000 0.256 313 V C 0.225 175.937 176.094 -0.637 0.000 1.080 313 V CA 0.980 63.042 62.300 -0.397 0.000 1.102 313 V CB -0.677 30.808 31.823 -0.564 0.000 0.705 313 V HN 0.163 nan 8.190 nan 0.000 0.475 314 F N -1.582 118.329 119.950 -0.065 0.000 2.538 314 F HA 0.535 5.089 4.527 0.045 0.000 0.325 314 F C 0.078 175.876 175.800 -0.003 0.000 1.066 314 F CA -1.200 56.763 58.000 -0.062 0.000 0.946 314 F CB 1.009 39.947 39.000 -0.103 0.000 1.199 314 F HN -0.123 nan 8.300 nan 0.000 0.473 315 H N 1.069 120.215 119.070 0.126 0.000 2.690 315 H HA 0.198 4.779 4.556 0.040 0.000 0.289 315 H C -0.883 174.490 175.328 0.074 0.000 1.089 315 H CA -0.650 55.447 56.048 0.081 0.000 1.299 315 H CB 0.357 30.164 29.762 0.075 0.000 1.405 315 H HN 0.428 nan 8.280 nan 0.000 0.463 316 D N 4.693 124.965 120.400 -0.212 0.000 2.371 316 D HA 0.058 4.724 4.640 0.043 0.000 0.256 316 D C -0.391 175.793 176.300 -0.195 0.000 1.193 316 D CA -0.171 53.733 54.000 -0.159 0.000 0.881 316 D CB 0.275 41.000 40.800 -0.125 0.000 1.143 316 D HN 0.445 nan 8.370 nan 0.000 0.473 317 I N 2.985 123.513 120.570 -0.070 0.000 2.342 317 I HA 0.134 4.330 4.170 0.043 0.000 0.291 317 I C 1.605 177.696 176.117 -0.043 0.000 1.010 317 I CA 0.121 61.414 61.300 -0.012 0.000 1.308 317 I CB 1.613 39.642 38.000 0.048 0.000 1.400 317 I HN 0.476 nan 8.210 nan 0.000 0.488 318 T N 0.752 115.290 114.554 -0.027 0.000 3.043 318 T HA 0.268 4.644 4.350 0.043 0.000 0.272 318 T C 0.311 175.008 174.700 -0.006 0.000 0.990 318 T CA -0.324 61.761 62.100 -0.026 0.000 0.897 318 T CB -0.026 68.825 68.868 -0.029 0.000 1.111 318 T HN 0.531 nan 8.240 nan 0.000 0.529 319 E N 0.462 120.669 120.200 0.012 0.000 2.210 319 E HA 0.563 4.939 4.350 0.043 0.000 0.266 319 E C -0.056 176.563 176.600 0.031 0.000 0.883 319 E CA -0.342 56.072 56.400 0.022 0.000 0.761 319 E CB 1.294 31.013 29.700 0.032 0.000 1.156 319 E HN 0.543 nan 8.360 nan 0.000 0.412 320 G N 2.743 111.558 108.800 0.025 0.000 2.479 320 G HA2 -0.030 3.956 3.960 0.043 0.000 0.686 320 G HA3 -0.030 3.956 3.960 0.043 0.000 0.686 320 G C -1.357 173.553 174.900 0.016 0.000 1.295 320 G CA -0.426 44.691 45.100 0.028 0.000 0.922 320 G HN 0.937 nan 8.290 nan 0.000 0.582 321 N N -1.568 117.140 118.700 0.013 0.000 2.732 321 N HA 0.632 5.397 4.740 0.043 0.000 0.259 321 N C -0.104 175.405 175.510 -0.001 0.000 1.402 321 N CA -0.330 52.724 53.050 0.007 0.000 0.829 321 N CB 1.305 39.790 38.487 -0.003 0.000 1.495 321 N HN 0.809 nan 8.380 nan 0.000 0.511 322 N N -0.868 117.837 118.700 0.009 0.000 2.389 322 N HA 0.118 4.883 4.740 0.043 0.000 0.260 322 N C -1.243 174.269 175.510 0.004 0.000 1.191 322 N CA -0.264 52.779 53.050 -0.012 0.000 0.885 322 N CB 0.011 38.504 38.487 0.009 0.000 1.162 322 N HN 0.619 nan 8.380 nan 0.000 0.512 323 D N 1.294 121.695 120.400 0.002 0.000 2.313 323 D HA 0.169 4.835 4.640 0.043 0.000 0.239 323 D C 0.977 177.282 176.300 0.009 0.000 1.142 323 D CA -0.490 53.528 54.000 0.031 0.000 0.847 323 D CB 0.988 41.799 40.800 0.017 0.000 1.082 323 D HN 0.446 nan 8.370 nan 0.000 0.480 324 I N 0.687 121.267 120.570 0.016 0.000 4.050 324 I HA 0.427 4.623 4.170 0.043 0.000 0.327 324 I C 0.849 176.971 176.117 0.009 0.000 1.473 324 I CA -0.501 60.793 61.300 -0.009 0.000 1.124 324 I CB 0.859 38.833 38.000 -0.045 0.000 1.129 324 I HN 0.213 nan 8.210 nan 0.000 0.428 325 A N 1.774 124.611 122.820 0.030 0.000 2.055 325 A HA 0.328 4.673 4.320 0.043 0.000 0.205 325 A C 0.825 178.417 177.584 0.013 0.000 1.235 325 A CA 0.568 52.614 52.037 0.016 0.000 0.822 325 A CB 0.017 19.019 19.000 0.002 0.000 0.903 325 A HN 0.658 nan 8.150 nan 0.000 0.473 326 N N -2.444 116.274 118.700 0.030 0.000 3.439 326 N HA 0.249 5.014 4.740 0.043 0.000 0.313 326 N C -0.793 174.731 175.510 0.024 0.000 1.598 326 N CA -0.840 52.224 53.050 0.024 0.000 0.830 326 N CB 0.392 38.896 38.487 0.028 0.000 1.849 326 N HN -0.133 nan 8.380 nan 0.000 0.598 327 R N -0.536 119.974 120.500 0.018 0.000 2.359 327 R HA 0.261 4.627 4.340 0.043 0.000 0.231 327 R C 1.174 177.477 176.300 0.005 0.000 0.913 327 R CA 0.176 56.282 56.100 0.010 0.000 1.075 327 R CB -0.625 29.678 30.300 0.007 0.000 1.087 327 R HN 0.679 nan 8.270 nan 0.000 0.515 328 A N 1.235 124.061 122.820 0.011 0.000 2.168 328 A HA -0.039 4.306 4.320 0.043 0.000 0.215 328 A C 0.613 178.168 177.584 -0.049 0.000 1.152 328 A CA 0.116 52.147 52.037 -0.010 0.000 0.716 328 A CB -0.187 18.819 19.000 0.010 0.000 0.794 328 A HN 0.347 nan 8.150 nan 0.000 0.465 329 R N -1.701 118.773 120.500 -0.042 0.000 3.525 329 R HA -0.157 4.209 4.340 0.043 0.000 0.276 329 R C -1.013 175.208 176.300 -0.130 0.000 1.116 329 R CA 0.884 56.949 56.100 -0.059 0.000 0.745 329 R CB -2.288 27.990 30.300 -0.037 0.000 1.185 329 R HN 0.562 nan 8.270 nan 0.000 0.454 330 I N 1.289 121.715 120.570 -0.240 0.000 2.312 330 I HA 0.266 4.461 4.170 0.043 0.000 0.290 330 I C 0.324 176.162 176.117 -0.464 0.000 1.008 330 I CA -0.633 60.312 61.300 -0.591 0.000 1.226 330 I CB 0.613 37.969 38.000 -1.073 0.000 1.371 330 I HN -0.061 nan 8.210 nan 0.000 0.468 331 Y N 4.348 124.555 120.300 -0.155 0.000 2.488 331 Y HA 0.421 5.003 4.550 0.054 0.000 0.325 331 Y C 0.406 176.254 175.900 -0.087 0.000 1.204 331 Y CA -0.559 57.461 58.100 -0.133 0.000 1.229 331 Y CB 0.913 39.308 38.460 -0.109 0.000 1.274 331 Y HN 0.417 nan 8.280 nan 0.000 0.493 332 Q N 0.991 120.844 119.800 0.089 0.000 2.274 332 Q HA 0.664 5.030 4.340 0.043 0.000 0.260 332 Q C -0.782 175.225 176.000 0.013 0.000 0.974 332 Q CA -0.818 55.004 55.803 0.031 0.000 0.876 332 Q CB 2.048 30.793 28.738 0.012 0.000 1.297 332 Q HN 0.848 nan 8.270 nan 0.000 0.446 333 A N 0.986 123.799 122.820 -0.011 0.000 2.304 333 A HA 0.852 5.197 4.320 0.043 0.000 0.271 333 A C 0.189 177.757 177.584 -0.027 0.000 1.091 333 A CA 0.578 52.588 52.037 -0.044 0.000 0.812 333 A CB 0.716 19.694 19.000 -0.036 0.000 1.056 333 A HN 0.754 nan 8.150 nan 0.000 0.489 334 G N -0.549 108.227 108.800 -0.040 0.000 2.488 334 G HA2 0.595 4.581 3.960 0.043 0.000 0.301 334 G HA3 0.595 4.581 3.960 0.043 0.000 0.301 334 G C -3.361 171.524 174.900 -0.025 0.000 1.339 334 G CA -0.624 44.465 45.100 -0.018 0.000 0.803 334 G HN 0.600 nan 8.290 nan 0.000 0.482 335 P HA 0.406 nan 4.420 nan 0.000 0.268 335 P C 0.877 178.180 177.300 0.004 0.000 1.204 335 P CA 1.737 64.831 63.100 -0.010 0.000 0.768 335 P CB 0.913 32.613 31.700 -0.001 0.000 0.842 336 G N 2.748 111.545 108.800 -0.005 0.000 2.642 336 G HA2 -0.241 3.744 3.960 0.043 0.000 0.231 336 G HA3 -0.241 3.744 3.960 0.043 0.000 0.231 336 G C -1.017 173.900 174.900 0.029 0.000 1.338 336 G CA -0.311 44.804 45.100 0.026 0.000 0.883 336 G HN 0.653 nan 8.290 nan 0.000 0.570 337 W N 2.249 123.504 121.300 -0.075 0.000 2.193 337 W HA 0.458 5.123 4.660 0.009 0.000 0.338 337 W C 0.588 177.084 176.519 -0.038 0.000 1.310 337 W CA 1.077 58.379 57.345 -0.073 0.000 1.243 337 W CB 0.358 29.804 29.460 -0.023 0.000 1.165 337 W HN 0.949 nan 8.180 nan 0.000 0.566 338 D N 3.744 123.591 120.400 -0.921 0.000 2.570 338 D HA 0.370 5.035 4.640 0.043 0.000 0.244 338 D C -2.606 172.818 176.300 -1.460 0.000 1.178 338 D CA -1.947 51.589 54.000 -0.774 0.000 0.881 338 D CB 1.799 42.407 40.800 -0.319 0.000 1.453 338 D HN 0.046 nan 8.370 nan 0.000 0.447 339 P HA 0.211 nan 4.420 nan 0.000 0.258 339 P C -0.029 177.087 177.300 -0.306 0.000 1.403 339 P CA 0.074 62.855 63.100 -0.532 0.000 0.826 339 P CB -0.094 31.302 31.700 -0.508 0.000 1.414 340 C N -2.506 116.613 119.300 -0.301 0.000 2.553 340 C HA 0.136 4.621 4.460 0.043 0.000 0.447 340 C C 1.889 176.798 174.990 -0.134 0.000 1.351 340 C CA 1.084 60.024 59.018 -0.129 0.000 2.354 340 C CB -0.536 27.165 27.740 -0.066 0.000 2.905 340 C HN 0.294 nan 8.230 nan 0.000 0.554 341 T N -2.548 111.851 114.554 -0.258 0.000 3.087 341 T HA 0.482 4.858 4.350 0.043 0.000 0.283 341 T C 1.091 175.593 174.700 -0.329 0.000 0.956 341 T CA 1.143 63.128 62.100 -0.192 0.000 0.894 341 T CB 0.231 69.037 68.868 -0.103 0.000 1.160 341 T HN 0.900 nan 8.240 nan 0.000 0.532 342 G N 2.792 111.174 108.800 -0.696 0.000 2.583 342 G HA2 -0.314 3.672 3.960 0.043 0.000 0.292 342 G HA3 -0.314 3.672 3.960 0.043 0.000 0.292 342 G C 0.627 175.111 174.900 -0.694 0.000 1.203 342 G CA 0.301 44.847 45.100 -0.922 0.000 0.987 342 G HN 0.533 nan 8.290 nan 0.000 0.554 343 L N 2.505 123.464 121.223 -0.440 0.000 2.465 343 L HA 0.404 4.769 4.340 0.043 0.000 0.224 343 L C 1.850 178.462 176.870 -0.430 0.000 1.145 343 L CA 1.080 55.567 54.840 -0.589 0.000 0.834 343 L CB -1.150 40.134 42.059 -1.292 0.000 0.944 343 L HN 1.909 nan 8.230 nan 0.000 0.451 344 G N -0.346 108.304 108.800 -0.250 0.000 2.447 344 G HA2 -0.187 3.798 3.960 0.043 0.000 0.220 344 G HA3 -0.187 3.798 3.960 0.043 0.000 0.220 344 G C -0.439 174.488 174.900 0.045 0.000 1.261 344 G CA -0.313 44.756 45.100 -0.050 0.000 1.000 344 G HN 0.228 nan 8.290 nan 0.000 0.515 345 S N 1.530 117.285 115.700 0.092 0.000 2.525 345 S HA 0.735 5.231 4.470 0.043 0.000 0.278 345 S C -2.083 172.474 174.600 -0.072 0.000 1.234 345 S CA -0.654 57.493 58.200 -0.088 0.000 1.058 345 S CB 2.123 65.114 63.200 -0.349 0.000 0.983 345 S HN 0.761 nan 8.310 nan 0.000 0.495 346 P HA 0.295 nan 4.420 nan 0.000 0.275 346 P C -0.793 176.365 177.300 -0.237 0.000 1.228 346 P CA -0.463 62.434 63.100 -0.338 0.000 0.786 346 P CB 0.519 31.901 31.700 -0.530 0.000 0.927 347 I N 2.375 122.795 120.570 -0.250 0.000 2.310 347 I HA 0.149 4.344 4.170 0.043 0.000 0.287 347 I C 1.943 177.983 176.117 -0.128 0.000 1.073 347 I CA -0.255 60.992 61.300 -0.088 0.000 1.216 347 I CB 0.598 38.553 38.000 -0.076 0.000 1.415 347 I HN 0.474 nan 8.210 nan 0.000 0.480 348 G N 5.521 114.304 108.800 -0.027 0.000 2.649 348 G HA2 -0.326 3.660 3.960 0.043 0.000 0.220 348 G HA3 -0.326 3.660 3.960 0.043 0.000 0.220 348 G C 1.428 176.263 174.900 -0.108 0.000 1.189 348 G CA 1.031 46.072 45.100 -0.099 0.000 0.777 348 G HN 0.603 nan 8.290 nan 0.000 0.602 349 I N 0.693 121.239 120.570 -0.040 0.000 2.394 349 I HA -0.014 4.182 4.170 0.043 0.000 0.251 349 I C 2.767 178.834 176.117 -0.082 0.000 1.136 349 I CA 0.953 62.225 61.300 -0.048 0.000 1.425 349 I CB -0.231 37.762 38.000 -0.012 0.000 1.079 349 I HN 0.105 nan 8.210 nan 0.000 0.425 350 R N -0.610 119.827 120.500 -0.106 0.000 2.115 350 R HA -0.079 4.287 4.340 0.043 0.000 0.226 350 R C 2.119 178.310 176.300 -0.182 0.000 1.100 350 R CA 1.236 57.258 56.100 -0.130 0.000 0.980 350 R CB -0.550 29.666 30.300 -0.140 0.000 0.875 350 R HN 0.305 nan 8.270 nan 0.000 0.445 351 L N 1.098 122.174 121.223 -0.244 0.000 2.056 351 L HA -0.122 4.243 4.340 0.043 0.000 0.207 351 L C 2.026 178.782 176.870 -0.191 0.000 1.078 351 L CA 1.462 56.133 54.840 -0.280 0.000 0.749 351 L CB -0.543 41.303 42.059 -0.354 0.000 0.901 351 L HN 0.104 nan 8.230 nan 0.000 0.433 352 L N -0.413 120.714 121.223 -0.160 0.000 2.017 352 L HA -0.221 4.144 4.340 0.043 0.000 0.208 352 L C 2.452 179.266 176.870 -0.094 0.000 1.073 352 L CA 1.811 56.579 54.840 -0.120 0.000 0.745 352 L CB -0.880 41.119 42.059 -0.100 0.000 0.894 352 L HN 0.453 nan 8.230 nan 0.000 0.432 353 Q N -0.447 119.300 119.800 -0.088 0.000 2.096 353 Q HA -0.179 4.187 4.340 0.043 0.000 0.204 353 Q C 2.204 178.161 176.000 -0.071 0.000 0.982 353 Q CA 1.728 57.490 55.803 -0.069 0.000 0.850 353 Q CB -0.452 28.249 28.738 -0.062 0.000 0.901 353 Q HN 0.694 nan 8.270 nan 0.000 0.422 354 A N 0.524 123.290 122.820 -0.090 0.000 2.067 354 A HA -0.083 4.263 4.320 0.043 0.000 0.219 354 A C 1.831 179.369 177.584 -0.075 0.000 1.158 354 A CA 0.925 52.912 52.037 -0.083 0.000 0.661 354 A CB -0.270 18.667 19.000 -0.106 0.000 0.801 354 A HN 0.286 nan 8.150 nan 0.000 0.452 355 L N -0.781 120.392 121.223 -0.084 0.000 2.585 355 L HA 0.245 4.611 4.340 0.043 0.000 0.226 355 L C 0.069 176.904 176.870 -0.058 0.000 1.113 355 L CA -0.256 54.539 54.840 -0.074 0.000 0.876 355 L CB -0.070 41.936 42.059 -0.089 0.000 1.072 355 L HN 0.214 nan 8.230 nan 0.000 0.468 356 L N 2.605 123.796 121.223 -0.054 0.000 2.319 356 L HA 0.240 4.606 4.340 0.043 0.000 0.280 356 L C -1.371 175.478 176.870 -0.035 0.000 1.099 356 L CA -1.416 53.399 54.840 -0.043 0.000 0.828 356 L CB 0.533 42.567 42.059 -0.041 0.000 1.150 356 L HN 0.008 nan 8.230 nan 0.000 0.442 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 357 P CB 0.000 31.687 31.700 -0.021 0.000 0.726