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 1b65_1_B DATA FIRST_RESID 9 DATA SEQUENCE KPRARDLGLP FTGVTGPYNA ITDVDGVGVG FQTIIENEPR PGRKRPARSG DATA SEQUENCE VTAILPHMQS ETPVPVYAGV HRFNGNGEMT GTHWIEDGGY FLGPVVITNT DATA SEQUENCE HGIGMAHHAT VRWMVDRYAS TYQTDDFLWI MPVVAETYDG ALNDINGFPV DATA SEQUENCE TEADVRKALD NVASGPVQEG NCGGGTGMIT YGFKGGTGTA SRVVEFGGRS DATA SEQUENCE FTIGALVQAN HGQRDWLTIA GVPVGQHMRD GTPQSQLXXX XSIIVVLATD DATA SEQUENCE LPLMPHQLKR LARRASIGIG RNGTPGGNNS GDIFIAFSTA NQRPMQHRSA DATA SEQUENCE PFLDVEMVND EPLDTVYLAA VDSVEEAVVN AMIAAEDMGG TPFDRLLVQA DATA SEQUENCE IDHERLRAVL RQYGRLA 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.623 176.600 0.039 0.000 0.988 9 K CA 0.000 56.312 56.287 0.043 0.000 0.838 9 K CB 0.000 32.520 32.500 0.034 0.000 1.064 10 P HA 0.244 nan 4.420 nan 0.000 0.271 10 P C -0.433 176.862 177.300 -0.008 0.000 1.218 10 P CA -0.226 62.884 63.100 0.017 0.000 0.780 10 P CB 1.026 32.733 31.700 0.012 0.000 0.901 11 R N 0.545 121.035 120.500 -0.018 0.000 2.719 11 R HA 0.564 4.902 4.340 -0.003 0.000 0.233 11 R C 1.567 177.839 176.300 -0.046 0.000 1.257 11 R CA -0.504 55.577 56.100 -0.031 0.000 1.109 11 R CB 0.121 30.410 30.300 -0.018 0.000 1.447 11 R HN 0.459 nan 8.270 nan 0.000 0.537 12 A N 0.866 123.669 122.820 -0.029 0.000 1.908 12 A HA -0.187 4.132 4.320 -0.003 0.000 0.218 12 A C 2.061 179.704 177.584 0.098 0.000 1.181 12 A CA 1.512 53.573 52.037 0.039 0.000 0.627 12 A CB -0.447 18.654 19.000 0.168 0.000 0.818 12 A HN 0.608 nan 8.150 nan 0.000 0.445 13 R N -0.256 120.306 120.500 0.104 0.000 2.120 13 R HA -0.112 4.226 4.340 -0.003 0.000 0.234 13 R C 1.348 177.677 176.300 0.048 0.000 1.123 13 R CA 1.377 57.548 56.100 0.117 0.000 0.975 13 R CB -0.331 30.020 30.300 0.085 0.000 0.866 13 R HN 0.529 nan 8.270 nan 0.000 0.446 14 D N 0.561 120.972 120.400 0.018 0.000 2.263 14 D HA -0.121 4.518 4.640 -0.003 0.000 0.208 14 D C 1.483 177.776 176.300 -0.010 0.000 0.971 14 D CA 0.991 54.993 54.000 0.003 0.000 0.867 14 D CB 0.114 40.913 40.800 -0.001 0.000 0.929 14 D HN 0.279 nan 8.370 nan 0.000 0.492 15 L N -0.551 120.654 121.223 -0.031 0.000 2.591 15 L HA 0.189 4.528 4.340 -0.003 0.000 0.228 15 L C 1.477 178.330 176.870 -0.029 0.000 1.133 15 L CA 0.277 55.088 54.840 -0.048 0.000 0.880 15 L CB 0.097 42.084 42.059 -0.119 0.000 1.033 15 L HN 0.070 nan 8.230 nan 0.000 0.450 16 G N 0.067 108.860 108.800 -0.011 0.000 2.157 16 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.239 16 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.239 16 G C -0.038 174.840 174.900 -0.037 0.000 0.982 16 G CA -0.493 44.598 45.100 -0.016 0.000 0.650 16 G HN 0.103 nan 8.290 nan 0.000 0.527 17 L N 2.135 123.338 121.223 -0.032 0.000 2.453 17 L HA 0.364 4.703 4.340 -0.003 0.000 0.272 17 L C -1.060 175.702 176.870 -0.181 0.000 1.182 17 L CA -1.308 53.456 54.840 -0.127 0.000 0.858 17 L CB 0.273 42.268 42.059 -0.107 0.000 1.120 17 L HN 0.021 nan 8.230 nan 0.000 0.474 18 P HA 0.068 nan 4.420 nan 0.000 0.230 18 P C -0.651 176.460 177.300 -0.315 0.000 1.791 18 P CA -0.156 62.808 63.100 -0.227 0.000 1.020 18 P CB -0.370 31.222 31.700 -0.181 0.000 1.977 19 F N 1.302 121.240 119.950 -0.021 0.000 2.389 19 F HA 0.128 4.653 4.527 -0.003 0.000 0.337 19 F C 1.644 177.436 175.800 -0.012 0.000 1.112 19 F CA -0.115 57.875 58.000 -0.017 0.000 1.192 19 F CB 0.270 39.259 39.000 -0.017 0.000 1.185 19 F HN 0.021 nan 8.300 nan 0.000 0.552 20 T N 1.522 116.218 114.554 0.236 0.000 2.658 20 T HA 0.289 4.637 4.350 -0.003 0.000 0.252 20 T C 0.749 175.515 174.700 0.110 0.000 1.021 20 T CA -0.063 62.132 62.100 0.158 0.000 1.169 20 T CB -0.767 68.240 68.868 0.231 0.000 1.015 20 T HN 1.243 nan 8.240 nan 0.000 0.489 21 G N 2.400 111.241 108.800 0.067 0.000 2.894 21 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.562 21 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.562 21 G C -0.075 174.845 174.900 0.034 0.000 1.424 21 G CA -0.417 44.710 45.100 0.045 0.000 0.958 21 G HN 1.486 nan 8.290 nan 0.000 0.555 22 V N 1.651 121.578 119.914 0.021 0.000 2.488 22 V HA 0.489 4.607 4.120 -0.003 0.000 0.277 22 V C 1.336 177.431 176.094 0.002 0.000 1.046 22 V CA 0.401 62.707 62.300 0.010 0.000 0.986 22 V CB 0.538 32.365 31.823 0.006 0.000 0.989 22 V HN 1.272 nan 8.190 nan 0.000 0.475 23 T N 2.665 117.214 114.554 -0.008 0.000 2.881 23 T HA 0.666 5.014 4.350 -0.003 0.000 0.278 23 T C 0.590 175.274 174.700 -0.026 0.000 0.982 23 T CA -0.065 62.025 62.100 -0.017 0.000 0.989 23 T CB 1.605 70.459 68.868 -0.023 0.000 1.058 23 T HN 0.823 nan 8.240 nan 0.000 0.529 24 G N 0.374 109.159 108.800 -0.025 0.000 2.588 24 G HA2 0.444 4.403 3.960 -0.003 0.000 0.278 24 G HA3 0.444 4.403 3.960 -0.003 0.000 0.278 24 G C -1.607 173.239 174.900 -0.090 0.000 1.307 24 G CA -1.453 43.621 45.100 -0.043 0.000 1.016 24 G HN 0.548 nan 8.290 nan 0.000 0.503 25 P HA -0.121 nan 4.420 nan 0.000 0.216 25 P C 0.752 177.803 177.300 -0.416 0.000 1.153 25 P CA 1.406 64.290 63.100 -0.359 0.000 0.858 25 P CB 0.018 31.390 31.700 -0.546 0.000 0.789 26 Y N -2.623 117.677 120.300 0.000 0.000 2.466 26 Y HA 0.207 4.755 4.550 -0.003 0.000 0.272 26 Y C 0.713 176.609 175.900 -0.005 0.000 1.169 26 Y CA -0.478 57.624 58.100 0.002 0.000 1.285 26 Y CB -1.117 37.349 38.460 0.010 0.000 1.078 26 Y HN -0.072 nan 8.280 nan 0.000 0.523 27 N N 0.682 119.431 118.700 0.081 0.000 2.696 27 N HA -0.158 4.580 4.740 -0.003 0.000 0.256 27 N C -0.904 174.637 175.510 0.051 0.000 1.031 27 N CA 0.753 53.824 53.050 0.034 0.000 0.730 27 N CB -0.952 37.535 38.487 0.001 0.000 0.894 27 N HN 0.456 nan 8.380 nan 0.000 0.544 28 A N 0.255 123.120 122.820 0.076 0.000 2.599 28 A HA 0.597 4.916 4.320 -0.003 0.000 0.290 28 A C 0.956 178.573 177.584 0.055 0.000 1.101 28 A CA -0.263 51.815 52.037 0.068 0.000 0.674 28 A CB 0.219 19.276 19.000 0.096 0.000 1.277 28 A HN 0.248 nan 8.150 nan 0.000 0.419 29 I N 0.487 121.080 120.570 0.039 0.000 2.614 29 I HA -0.147 4.022 4.170 -0.003 0.000 0.258 29 I C 2.136 178.276 176.117 0.039 0.000 1.189 29 I CA 2.207 63.521 61.300 0.023 0.000 1.462 29 I CB 0.138 38.151 38.000 0.022 0.000 1.092 29 I HN 0.815 nan 8.210 nan 0.000 0.442 30 T N -3.161 111.427 114.554 0.056 0.000 3.163 30 T HA -0.059 4.289 4.350 -0.003 0.000 0.260 30 T C 1.301 176.072 174.700 0.119 0.000 1.156 30 T CA 0.526 62.666 62.100 0.066 0.000 1.072 30 T CB -0.448 68.436 68.868 0.027 0.000 0.937 30 T HN 0.291 nan 8.240 nan 0.000 0.528 31 D N 1.332 121.806 120.400 0.122 0.000 2.310 31 D HA 0.023 4.662 4.640 -0.003 0.000 0.212 31 D C 0.423 176.760 176.300 0.062 0.000 0.965 31 D CA 0.357 54.421 54.000 0.107 0.000 0.879 31 D CB -0.029 40.810 40.800 0.065 0.000 0.921 31 D HN 0.320 nan 8.370 nan 0.000 0.510 32 V N 4.168 124.109 119.914 0.045 0.000 2.405 32 V HA -0.018 4.101 4.120 -0.003 0.000 0.264 32 V C 0.378 176.498 176.094 0.043 0.000 1.048 32 V CA -0.947 61.372 62.300 0.030 0.000 0.966 32 V CB 0.678 32.498 31.823 -0.004 0.000 1.015 32 V HN 0.165 nan 8.190 nan 0.000 0.477 33 D N 4.479 124.907 120.400 0.048 0.000 2.583 33 D HA 0.023 4.661 4.640 -0.003 0.000 0.232 33 D C 1.136 177.463 176.300 0.044 0.000 1.128 33 D CA 0.876 54.908 54.000 0.054 0.000 0.859 33 D CB 0.901 41.736 40.800 0.058 0.000 1.169 33 D HN 0.956 nan 8.370 nan 0.000 0.481 34 G N 1.431 110.264 108.800 0.055 0.000 2.179 34 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.260 34 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.260 34 G C 0.260 175.180 174.900 0.035 0.000 0.977 34 G CA 0.292 45.426 45.100 0.056 0.000 0.641 34 G HN 0.682 nan 8.290 nan 0.000 0.533 35 V N 1.323 121.260 119.914 0.038 0.000 2.432 35 V HA 0.649 4.767 4.120 -0.003 0.000 0.271 35 V C 1.047 177.168 176.094 0.045 0.000 1.046 35 V CA 0.304 62.641 62.300 0.062 0.000 0.945 35 V CB 1.243 33.130 31.823 0.106 0.000 0.992 35 V HN 0.741 nan 8.190 nan 0.000 0.471 36 G N 3.582 112.402 108.800 0.034 0.000 2.420 36 G HA2 0.647 4.605 3.960 -0.003 0.000 0.331 36 G HA3 0.647 4.605 3.960 -0.003 0.000 0.331 36 G C -1.247 173.619 174.900 -0.056 0.000 1.168 36 G CA -0.503 44.593 45.100 -0.007 0.000 0.936 36 G HN 0.537 nan 8.290 nan 0.000 0.479 37 V N 0.466 120.305 119.914 -0.125 0.000 2.540 37 V HA 0.846 4.964 4.120 -0.003 0.000 0.302 37 V C 0.527 176.383 176.094 -0.398 0.000 1.035 37 V CA -0.336 61.801 62.300 -0.272 0.000 0.873 37 V CB 1.666 33.308 31.823 -0.301 0.000 0.992 37 V HN 1.074 nan 8.190 nan 0.000 0.428 38 G N 2.949 111.453 108.800 -0.494 0.000 2.571 38 G HA2 0.796 4.754 3.960 -0.003 0.000 0.304 38 G HA3 0.796 4.754 3.960 -0.003 0.000 0.304 38 G C -1.725 172.857 174.900 -0.531 0.000 1.314 38 G CA -0.391 44.461 45.100 -0.413 0.000 0.975 38 G HN 0.332 nan 8.290 nan 0.000 0.485 39 F N -0.590 119.339 119.950 -0.036 0.000 2.588 39 F HA 0.672 5.198 4.527 -0.002 0.000 0.314 39 F C -0.023 175.759 175.800 -0.031 0.000 1.069 39 F CA -0.945 57.037 58.000 -0.031 0.000 0.931 39 F CB 3.059 42.047 39.000 -0.020 0.000 1.260 39 F HN 0.403 nan 8.300 nan 0.000 0.465 40 Q N 1.272 121.183 119.800 0.185 0.000 2.292 40 Q HA 0.558 4.896 4.340 -0.003 0.000 0.270 40 Q C -1.600 174.447 176.000 0.077 0.000 1.024 40 Q CA -0.298 55.562 55.803 0.094 0.000 0.768 40 Q CB 1.981 30.746 28.738 0.046 0.000 1.250 40 Q HN 0.651 nan 8.270 nan 0.000 0.447 41 T N 5.372 119.953 114.554 0.045 0.000 2.786 41 T HA 0.596 4.945 4.350 -0.003 0.000 0.283 41 T C -0.376 174.324 174.700 0.001 0.000 0.992 41 T CA -0.358 61.746 62.100 0.007 0.000 0.954 41 T CB 0.367 69.218 68.868 -0.029 0.000 0.934 41 T HN 0.582 nan 8.240 nan 0.000 0.440 42 I N 4.397 124.964 120.570 -0.005 0.000 2.359 42 I HA 0.471 4.640 4.170 -0.003 0.000 0.284 42 I C -0.558 175.549 176.117 -0.017 0.000 1.018 42 I CA -0.493 60.802 61.300 -0.008 0.000 1.173 42 I CB 0.999 38.996 38.000 -0.005 0.000 1.326 42 I HN 0.482 nan 8.210 nan 0.000 0.462 43 I N 6.501 127.061 120.570 -0.016 0.000 2.448 43 I HA 0.330 4.498 4.170 -0.003 0.000 0.281 43 I C -0.429 175.679 176.117 -0.015 0.000 1.027 43 I CA -0.255 61.034 61.300 -0.018 0.000 1.111 43 I CB 1.322 39.311 38.000 -0.018 0.000 1.236 43 I HN 0.568 nan 8.210 nan 0.000 0.452 44 E N 4.918 125.107 120.200 -0.019 0.000 2.244 44 E HA 0.425 4.774 4.350 -0.003 0.000 0.266 44 E C -0.267 176.325 176.600 -0.014 0.000 0.914 44 E CA -0.692 55.696 56.400 -0.021 0.000 0.794 44 E CB 1.865 31.544 29.700 -0.035 0.000 1.210 44 E HN 0.416 nan 8.360 nan 0.000 0.414 45 N N 1.607 120.306 118.700 -0.002 0.000 2.197 45 N HA 0.026 4.765 4.740 -0.003 0.000 0.228 45 N C -0.969 174.570 175.510 0.050 0.000 1.212 45 N CA 0.204 53.277 53.050 0.037 0.000 0.883 45 N CB 0.909 39.431 38.487 0.058 0.000 1.107 45 N HN 0.582 nan 8.380 nan 0.000 0.519 46 E N 0.527 120.682 120.200 -0.075 0.000 2.340 46 E HA 0.511 4.860 4.350 -0.003 0.000 0.273 46 E C -3.095 173.292 176.600 -0.356 0.000 0.891 46 E CA -2.004 54.220 56.400 -0.292 0.000 0.757 46 E CB 2.261 31.867 29.700 -0.157 0.000 1.231 46 E HN -0.232 nan 8.360 nan 0.000 0.439 47 P HA 0.137 nan 4.420 nan 0.000 0.271 47 P C -0.739 176.434 177.300 -0.211 0.000 1.218 47 P CA -0.228 62.656 63.100 -0.361 0.000 0.780 47 P CB 0.514 31.956 31.700 -0.430 0.000 0.901 48 R N 3.175 123.598 120.500 -0.129 0.000 2.679 48 R HA 0.262 4.601 4.340 -0.003 0.000 0.269 48 R C -1.990 174.269 176.300 -0.068 0.000 1.076 48 R CA -1.491 54.562 56.100 -0.078 0.000 1.160 48 R CB -0.778 29.496 30.300 -0.044 0.000 1.054 48 R HN 0.381 nan 8.270 nan 0.000 0.507 49 P HA -0.052 nan 4.420 nan 0.000 0.261 49 P C 0.422 177.709 177.300 -0.022 0.000 1.183 49 P CA 1.083 64.164 63.100 -0.032 0.000 0.761 49 P CB 0.457 32.146 31.700 -0.019 0.000 0.785 50 G N 1.803 110.592 108.800 -0.019 0.000 2.176 50 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.253 50 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.253 50 G C 0.309 175.205 174.900 -0.007 0.000 0.979 50 G CA -0.309 44.787 45.100 -0.007 0.000 0.641 50 G HN 0.514 nan 8.290 nan 0.000 0.530 51 R N -0.284 120.200 120.500 -0.027 0.000 2.782 51 R HA 0.712 5.051 4.340 -0.003 0.000 0.258 51 R C 0.970 177.241 176.300 -0.048 0.000 1.055 51 R CA -0.685 55.397 56.100 -0.030 0.000 1.065 51 R CB 0.735 31.009 30.300 -0.042 0.000 1.172 51 R HN 0.239 nan 8.270 nan 0.000 0.510 52 K N 0.492 120.873 120.400 -0.032 0.000 2.391 52 K HA 0.256 4.574 4.320 -0.003 0.000 0.197 52 K C 0.167 176.753 176.600 -0.024 0.000 1.087 52 K CA 0.254 56.534 56.287 -0.011 0.000 1.012 52 K CB 0.922 33.444 32.500 0.037 0.000 0.925 52 K HN 0.204 nan 8.250 nan 0.000 0.547 53 R N 1.189 121.658 120.500 -0.050 0.000 2.740 53 R HA 0.335 4.674 4.340 -0.003 0.000 0.282 53 R C -2.793 173.448 176.300 -0.097 0.000 0.969 53 R CA -2.124 53.954 56.100 -0.037 0.000 0.918 53 R CB 1.527 31.821 30.300 -0.010 0.000 1.175 53 R HN -0.128 nan 8.270 nan 0.000 0.464 54 P HA 0.139 nan 4.420 nan 0.000 0.274 54 P C -1.205 176.055 177.300 -0.068 0.000 1.246 54 P CA -0.494 62.548 63.100 -0.097 0.000 0.795 54 P CB 0.754 32.417 31.700 -0.061 0.000 1.006 55 A N 2.244 125.025 122.820 -0.064 0.000 2.260 55 A HA 0.589 4.908 4.320 -0.003 0.000 0.308 55 A C -0.178 177.377 177.584 -0.047 0.000 1.254 55 A CA -0.376 51.628 52.037 -0.056 0.000 0.874 55 A CB -0.134 18.840 19.000 -0.044 0.000 1.153 55 A HN 0.394 nan 8.150 nan 0.000 0.527 56 R N 1.658 122.125 120.500 -0.054 0.000 2.545 56 R HA 0.629 4.967 4.340 -0.003 0.000 0.289 56 R C -0.429 175.837 176.300 -0.057 0.000 1.327 56 R CA 0.130 56.202 56.100 -0.047 0.000 1.040 56 R CB 1.620 31.894 30.300 -0.044 0.000 1.176 56 R HN 0.782 nan 8.270 nan 0.000 0.518 57 S N 0.253 115.927 115.700 -0.043 0.000 2.755 57 S HA 0.920 5.388 4.470 -0.003 0.000 0.286 57 S C -1.147 173.442 174.600 -0.017 0.000 1.207 57 S CA -0.087 58.088 58.200 -0.041 0.000 0.892 57 S CB 1.478 64.646 63.200 -0.055 0.000 1.240 57 S HN 0.692 nan 8.310 nan 0.000 0.525 58 G N -0.380 108.420 108.800 -0.001 0.000 2.323 58 G HA2 0.480 4.438 3.960 -0.003 0.000 0.291 58 G HA3 0.480 4.438 3.960 -0.003 0.000 0.291 58 G C -2.174 172.751 174.900 0.042 0.000 1.278 58 G CA 0.168 45.283 45.100 0.024 0.000 0.860 58 G HN 1.186 nan 8.290 nan 0.000 0.504 59 V N -0.197 119.757 119.914 0.067 0.000 2.841 59 V HA 0.761 4.879 4.120 -0.003 0.000 0.310 59 V C -0.371 175.791 176.094 0.114 0.000 1.090 59 V CA -0.634 61.704 62.300 0.063 0.000 0.930 59 V CB 2.057 33.892 31.823 0.021 0.000 1.014 59 V HN 0.919 nan 8.190 nan 0.000 0.425 60 T N 3.328 117.938 114.554 0.093 0.000 2.807 60 T HA 0.785 5.133 4.350 -0.003 0.000 0.279 60 T C -0.296 174.358 174.700 -0.076 0.000 0.993 60 T CA -0.314 61.827 62.100 0.068 0.000 0.970 60 T CB 1.642 70.613 68.868 0.173 0.000 0.950 60 T HN 1.024 nan 8.240 nan 0.000 0.441 61 A N 3.515 126.216 122.820 -0.198 0.000 2.356 61 A HA 0.824 5.142 4.320 -0.003 0.000 0.310 61 A C -0.765 176.710 177.584 -0.182 0.000 1.075 61 A CA -0.700 51.225 52.037 -0.187 0.000 0.746 61 A CB 0.589 19.439 19.000 -0.250 0.000 1.221 61 A HN 0.850 nan 8.150 nan 0.000 0.443 62 I N 3.069 123.586 120.570 -0.089 0.000 2.382 62 I HA 0.333 4.501 4.170 -0.003 0.000 0.285 62 I C -0.717 175.410 176.117 0.016 0.000 1.007 62 I CA -0.207 61.081 61.300 -0.019 0.000 1.142 62 I CB 1.498 39.546 38.000 0.079 0.000 1.289 62 I HN 0.521 nan 8.210 nan 0.000 0.453 63 L N 8.773 130.008 121.223 0.020 0.000 2.316 63 L HA 0.568 4.907 4.340 -0.003 0.000 0.280 63 L C -2.453 174.450 176.870 0.055 0.000 1.006 63 L CA -1.680 53.193 54.840 0.055 0.000 0.836 63 L CB 2.103 44.213 42.059 0.085 0.000 1.221 63 L HN 0.251 nan 8.230 nan 0.000 0.418 64 P HA 0.146 nan 4.420 nan 0.000 0.274 64 P C -0.718 176.574 177.300 -0.014 0.000 1.237 64 P CA 0.124 63.175 63.100 -0.082 0.000 0.793 64 P CB 0.297 31.822 31.700 -0.292 0.000 0.977 65 H N 0.358 119.464 119.070 0.060 0.000 2.604 65 H HA -0.157 4.397 4.556 -0.003 0.000 0.321 65 H C 1.153 176.530 175.328 0.082 0.000 1.132 65 H CA 0.995 57.072 56.048 0.049 0.000 1.129 65 H CB -1.671 28.093 29.762 0.003 0.000 1.526 65 H HN 0.581 nan 8.280 nan 0.000 0.415 66 M N -1.003 118.696 119.600 0.164 0.000 2.460 66 M HA -0.100 4.378 4.480 -0.003 0.000 0.263 66 M C 2.104 178.492 176.300 0.147 0.000 1.071 66 M CA 1.890 57.287 55.300 0.162 0.000 1.096 66 M CB -0.022 32.648 32.600 0.116 0.000 1.408 66 M HN 0.276 nan 8.290 nan 0.000 0.463 67 Q N 1.125 121.003 119.800 0.130 0.000 2.245 67 Q HA 0.081 4.419 4.340 -0.003 0.000 0.201 67 Q C 0.707 176.765 176.000 0.097 0.000 0.955 67 Q CA 0.999 56.860 55.803 0.097 0.000 0.870 67 Q CB -0.413 28.374 28.738 0.081 0.000 0.945 67 Q HN 0.526 nan 8.270 nan 0.000 0.461 68 S N 0.910 116.685 115.700 0.126 0.000 2.549 68 S HA -0.002 4.466 4.470 -0.003 0.000 0.286 68 S C 0.718 175.404 174.600 0.143 0.000 1.314 68 S CA -0.172 58.086 58.200 0.096 0.000 1.062 68 S CB 0.720 63.953 63.200 0.054 0.000 0.865 68 S HN 0.377 nan 8.310 nan 0.000 0.498 69 E N 1.665 121.916 120.200 0.085 0.000 2.358 69 E HA -0.001 4.348 4.350 -0.003 0.000 0.195 69 E C 0.557 177.270 176.600 0.189 0.000 1.010 69 E CA 0.690 57.150 56.400 0.099 0.000 0.856 69 E CB 0.153 29.869 29.700 0.027 0.000 0.795 69 E HN 0.810 nan 8.360 nan 0.000 0.504 70 T N -0.666 113.939 114.554 0.084 0.000 2.908 70 T HA 0.419 4.767 4.350 -0.003 0.000 0.290 70 T C -2.909 171.622 174.700 -0.283 0.000 1.034 70 T CA -2.645 59.412 62.100 -0.072 0.000 1.010 70 T CB 1.986 70.775 68.868 -0.131 0.000 1.068 70 T HN -0.292 nan 8.240 nan 0.000 0.481 71 P HA 0.351 nan 4.420 nan 0.000 0.268 71 P C -0.897 176.222 177.300 -0.301 0.000 1.204 71 P CA -0.441 62.310 63.100 -0.581 0.000 0.768 71 P CB 0.488 31.847 31.700 -0.568 0.000 0.842 72 V N 5.767 125.548 119.914 -0.222 0.000 2.409 72 V HA 0.321 4.440 4.120 -0.003 0.000 0.291 72 V C -2.178 173.769 176.094 -0.245 0.000 1.020 72 V CA -2.237 59.919 62.300 -0.239 0.000 0.848 72 V CB 1.464 33.114 31.823 -0.288 0.000 0.990 72 V HN 0.464 nan 8.190 nan 0.000 0.430 73 P HA 0.118 nan 4.420 nan 0.000 0.265 73 P C -0.688 176.339 177.300 -0.456 0.000 1.193 73 P CA 0.179 63.006 63.100 -0.456 0.000 0.765 73 P CB 0.682 31.877 31.700 -0.840 0.000 0.823 74 V N 5.366 124.992 119.914 -0.479 0.000 2.444 74 V HA 0.250 4.369 4.120 -0.003 0.000 0.294 74 V C -0.513 175.413 176.094 -0.279 0.000 1.022 74 V CA -0.663 61.404 62.300 -0.387 0.000 0.850 74 V CB 0.562 32.062 31.823 -0.539 0.000 0.992 74 V HN 0.376 nan 8.190 nan 0.000 0.426 75 Y N 3.451 123.788 120.300 0.061 0.000 2.578 75 Y HA 0.494 5.042 4.550 -0.003 0.000 0.339 75 Y C 0.709 176.719 175.900 0.183 0.000 1.231 75 Y CA 0.830 59.009 58.100 0.132 0.000 1.461 75 Y CB 0.672 39.186 38.460 0.090 0.000 1.323 75 Y HN 0.778 nan 8.280 nan 0.000 0.590 76 A N 0.784 123.830 122.820 0.377 0.000 2.599 76 A HA 0.879 5.197 4.320 -0.003 0.000 0.290 76 A C -0.661 177.083 177.584 0.266 0.000 1.101 76 A CA -0.178 52.087 52.037 0.380 0.000 0.674 76 A CB 1.364 20.698 19.000 0.557 0.000 1.277 76 A HN 0.994 nan 8.150 nan 0.000 0.419 77 G N -0.923 108.020 108.800 0.239 0.000 2.706 77 G HA2 0.642 4.600 3.960 -0.003 0.000 0.297 77 G HA3 0.642 4.600 3.960 -0.003 0.000 0.297 77 G C -1.696 173.308 174.900 0.173 0.000 1.403 77 G CA -0.411 44.791 45.100 0.170 0.000 0.954 77 G HN 1.167 nan 8.290 nan 0.000 0.500 78 V N 1.160 121.162 119.914 0.146 0.000 2.864 78 V HA 0.580 4.698 4.120 -0.003 0.000 0.314 78 V C -0.768 175.442 176.094 0.195 0.000 1.073 78 V CA -0.842 61.545 62.300 0.145 0.000 0.956 78 V CB 2.145 34.010 31.823 0.069 0.000 1.023 78 V HN 0.876 nan 8.190 nan 0.000 0.435 79 H N 3.944 123.065 119.070 0.086 0.000 2.658 79 H HA 0.450 5.005 4.556 -0.003 0.000 0.337 79 H C -0.593 174.679 175.328 -0.093 0.000 1.009 79 H CA -0.793 55.291 56.048 0.061 0.000 1.231 79 H CB 1.326 31.205 29.762 0.194 0.000 1.508 79 H HN 0.611 nan 8.280 nan 0.000 0.517 80 R N 5.423 125.589 120.500 -0.556 0.000 2.391 80 R HA 0.027 4.365 4.340 -0.003 0.000 0.310 80 R C -0.062 175.785 176.300 -0.754 0.000 1.174 80 R CA -0.299 55.483 56.100 -0.530 0.000 1.118 80 R CB -0.091 30.037 30.300 -0.287 0.000 1.134 80 R HN 0.544 nan 8.270 nan 0.000 0.524 81 F N 3.140 122.527 119.950 -0.938 0.000 2.128 81 F HA 0.055 4.580 4.527 -0.003 0.000 0.295 81 F C 0.388 176.002 175.800 -0.308 0.000 1.100 81 F CA 1.085 58.731 58.000 -0.590 0.000 1.260 81 F CB 0.319 39.091 39.000 -0.380 0.000 1.009 81 F HN 0.402 nan 8.300 nan 0.000 0.476 82 N N -0.416 118.123 118.700 -0.269 0.000 2.533 82 N HA 0.181 4.919 4.740 -0.003 0.000 0.289 82 N C -0.176 175.236 175.510 -0.164 0.000 1.103 82 N CA 0.133 53.041 53.050 -0.236 0.000 0.877 82 N CB 1.468 39.876 38.487 -0.132 0.000 1.419 82 N HN 0.209 nan 8.380 nan 0.000 0.517 83 G N 2.155 110.860 108.800 -0.159 0.000 3.414 83 G HA2 -0.081 3.878 3.960 -0.003 0.000 0.258 83 G HA3 -0.081 3.878 3.960 -0.003 0.000 0.258 83 G C 0.463 175.315 174.900 -0.079 0.000 1.348 83 G CA -0.245 44.782 45.100 -0.122 0.000 1.319 83 G HN 0.539 nan 8.290 nan 0.000 0.555 84 N N 1.307 119.968 118.700 -0.065 0.000 3.259 84 N HA 0.333 5.071 4.740 -0.003 0.000 0.308 84 N C 0.458 175.949 175.510 -0.032 0.000 1.334 84 N CA 0.305 53.328 53.050 -0.045 0.000 1.202 84 N CB 0.169 38.633 38.487 -0.039 0.000 1.485 84 N HN 0.366 nan 8.380 nan 0.000 0.549 85 G N -0.411 108.371 108.800 -0.029 0.000 2.495 85 G HA2 0.303 4.261 3.960 -0.003 0.000 0.294 85 G HA3 0.303 4.261 3.960 -0.003 0.000 0.294 85 G C -1.840 173.053 174.900 -0.011 0.000 1.397 85 G CA -0.500 44.594 45.100 -0.010 0.000 0.790 85 G HN 0.192 nan 8.290 nan 0.000 0.486 86 E N -0.314 119.891 120.200 0.008 0.000 2.199 86 E HA 0.742 5.091 4.350 -0.003 0.000 0.269 86 E C -0.716 175.884 176.600 -0.000 0.000 0.899 86 E CA -0.718 55.686 56.400 0.007 0.000 0.772 86 E CB 1.666 31.387 29.700 0.035 0.000 1.155 86 E HN 0.591 nan 8.360 nan 0.000 0.408 87 M N 4.521 124.109 119.600 -0.020 0.000 2.122 87 M HA 0.299 4.777 4.480 -0.003 0.000 0.269 87 M C -0.975 175.301 176.300 -0.040 0.000 0.954 87 M CA -0.389 54.893 55.300 -0.031 0.000 0.998 87 M CB 1.171 33.740 32.600 -0.051 0.000 1.755 87 M HN 0.717 nan 8.290 nan 0.000 0.459 88 T N 0.475 115.030 114.554 0.000 0.000 2.788 88 T HA 0.670 5.019 4.350 -0.003 0.000 0.280 88 T C 1.099 175.793 174.700 -0.010 0.000 0.984 88 T CA 0.567 62.680 62.100 0.023 0.000 0.972 88 T CB 1.314 70.274 68.868 0.153 0.000 1.039 88 T HN 1.281 nan 8.240 nan 0.000 0.530 89 G N 0.044 108.860 108.800 0.027 0.000 2.162 89 G HA2 -0.335 3.624 3.960 -0.003 0.000 0.260 89 G HA3 -0.335 3.624 3.960 -0.003 0.000 0.260 89 G C 0.868 175.769 174.900 0.001 0.000 0.976 89 G CA 1.204 46.333 45.100 0.047 0.000 0.655 89 G HN 1.581 nan 8.290 nan 0.000 0.533 90 T N -3.331 111.149 114.554 -0.124 0.000 3.067 90 T HA 0.074 4.422 4.350 -0.003 0.000 0.261 90 T C 1.828 176.483 174.700 -0.075 0.000 1.110 90 T CA 1.419 63.448 62.100 -0.119 0.000 1.113 90 T CB -0.303 68.465 68.868 -0.167 0.000 0.917 90 T HN 0.486 nan 8.240 nan 0.000 0.499 91 H N -0.219 118.926 119.070 0.125 0.000 2.321 91 H HA -0.021 4.534 4.556 -0.003 0.000 0.300 91 H C 1.851 177.327 175.328 0.247 0.000 1.087 91 H CA 1.424 57.565 56.048 0.154 0.000 1.319 91 H CB -0.511 29.337 29.762 0.143 0.000 1.379 91 H HN 0.544 nan 8.280 nan 0.000 0.501 92 W N 1.223 122.596 121.300 0.120 0.000 2.678 92 W HA -0.014 4.644 4.660 -0.003 0.000 0.256 92 W C 1.809 178.306 176.519 -0.036 0.000 1.280 92 W CA 0.198 57.562 57.345 0.032 0.000 1.345 92 W CB 0.063 29.531 29.460 0.013 0.000 1.118 92 W HN 0.074 nan 8.180 nan 0.000 0.629 93 I N 0.602 121.201 120.570 0.049 0.000 2.179 93 I HA -0.315 3.853 4.170 -0.003 0.000 0.242 93 I C 2.406 178.493 176.117 -0.050 0.000 1.088 93 I CA 1.272 62.564 61.300 -0.015 0.000 1.357 93 I CB -0.447 37.605 38.000 0.087 0.000 1.051 93 I HN -0.143 nan 8.210 nan 0.000 0.409 94 E N 0.699 120.904 120.200 0.009 0.000 2.051 94 E HA -0.214 4.134 4.350 -0.003 0.000 0.192 94 E C 1.675 178.244 176.600 -0.052 0.000 0.991 94 E CA 1.400 57.810 56.400 0.017 0.000 0.799 94 E CB -0.240 29.505 29.700 0.075 0.000 0.748 94 E HN 0.495 nan 8.360 nan 0.000 0.449 95 D N -0.598 119.743 120.400 -0.098 0.000 2.201 95 D HA -0.009 4.630 4.640 -0.003 0.000 0.209 95 D C 1.916 177.850 176.300 -0.610 0.000 0.961 95 D CA 1.192 55.076 54.000 -0.193 0.000 0.861 95 D CB -0.314 40.516 40.800 0.050 0.000 0.997 95 D HN 0.244 nan 8.370 nan 0.000 0.486 96 G N -0.563 107.422 108.800 -1.358 0.000 2.453 96 G HA2 0.202 4.161 3.960 -0.003 0.000 0.215 96 G HA3 0.202 4.161 3.960 -0.003 0.000 0.215 96 G C 1.256 175.710 174.900 -0.743 0.000 1.147 96 G CA 0.863 44.824 45.100 -1.898 0.000 0.802 96 G HN 0.476 nan 8.290 nan 0.000 0.535 97 G N -1.647 106.871 108.800 -0.470 0.000 2.195 97 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.224 97 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.224 97 G C 0.197 175.218 174.900 0.202 0.000 0.990 97 G CA 0.709 45.813 45.100 0.007 0.000 0.639 97 G HN 1.408 nan 8.290 nan 0.000 0.514 98 Y N -1.282 119.013 120.300 -0.007 0.000 2.744 98 Y HA 0.815 5.364 4.550 -0.003 0.000 0.330 98 Y C -0.524 175.463 175.900 0.145 0.000 1.263 98 Y CA -2.334 55.771 58.100 0.009 0.000 1.065 98 Y CB 0.523 38.844 38.460 -0.232 0.000 1.306 98 Y HN 0.833 nan 8.280 nan 0.000 0.459 99 F N 0.105 120.181 119.950 0.210 0.000 2.664 99 F HA 0.888 5.414 4.527 -0.003 0.000 0.317 99 F C -2.423 173.479 175.800 0.170 0.000 1.108 99 F CA -1.378 56.721 58.000 0.165 0.000 0.957 99 F CB 1.453 40.490 39.000 0.060 0.000 1.365 99 F HN 0.442 nan 8.300 nan 0.000 0.475 100 L N 1.762 123.151 121.223 0.276 0.000 2.354 100 L HA 0.893 5.231 4.340 -0.003 0.000 0.269 100 L C 0.514 177.514 176.870 0.218 0.000 1.005 100 L CA 0.050 54.948 54.840 0.096 0.000 0.819 100 L CB 0.849 42.984 42.059 0.126 0.000 1.311 100 L HN 1.255 nan 8.230 nan 0.000 0.423 101 G N 2.973 111.848 108.800 0.126 0.000 2.632 101 G HA2 -0.093 3.865 3.960 -0.003 0.000 0.224 101 G HA3 -0.093 3.865 3.960 -0.003 0.000 0.224 101 G C -2.968 172.089 174.900 0.263 0.000 1.341 101 G CA -0.586 44.660 45.100 0.244 0.000 0.880 101 G HN 0.502 nan 8.290 nan 0.000 0.566 102 P HA 0.581 nan 4.420 nan 0.000 0.283 102 P C -0.426 176.901 177.300 0.044 0.000 1.271 102 P CA -0.521 62.645 63.100 0.109 0.000 0.841 102 P CB 1.768 33.457 31.700 -0.018 0.000 1.122 103 V N 2.029 121.943 119.914 -0.001 0.000 2.406 103 V HA 0.187 4.306 4.120 -0.003 0.000 0.272 103 V C 0.370 176.431 176.094 -0.056 0.000 1.043 103 V CA -0.327 61.924 62.300 -0.082 0.000 0.915 103 V CB 1.342 33.138 31.823 -0.045 0.000 0.988 103 V HN 0.243 nan 8.190 nan 0.000 0.466 104 V N 7.046 126.922 119.914 -0.063 0.000 2.495 104 V HA 0.552 4.671 4.120 -0.003 0.000 0.298 104 V C -0.231 175.854 176.094 -0.015 0.000 1.031 104 V CA -0.447 61.822 62.300 -0.051 0.000 0.871 104 V CB 1.802 33.587 31.823 -0.064 0.000 0.988 104 V HN 0.675 nan 8.190 nan 0.000 0.432 105 I N 3.867 124.441 120.570 0.006 0.000 2.465 105 I HA 0.701 4.870 4.170 -0.003 0.000 0.291 105 I C 0.089 176.231 176.117 0.041 0.000 1.014 105 I CA -0.096 61.223 61.300 0.032 0.000 1.093 105 I CB 2.147 40.178 38.000 0.051 0.000 1.267 105 I HN 0.689 nan 8.210 nan 0.000 0.431 106 T N 3.120 117.699 114.554 0.042 0.000 2.584 106 T HA 0.363 4.712 4.350 -0.003 0.000 0.273 106 T C -1.154 173.561 174.700 0.026 0.000 0.978 106 T CA -0.582 61.541 62.100 0.038 0.000 1.159 106 T CB 1.169 70.062 68.868 0.042 0.000 1.556 106 T HN 0.802 nan 8.240 nan 0.000 0.472 107 N N -0.232 118.473 118.700 0.008 0.000 2.434 107 N HA 0.329 5.067 4.740 -0.003 0.000 0.266 107 N C 1.031 176.545 175.510 0.006 0.000 1.223 107 N CA 0.099 53.133 53.050 -0.027 0.000 0.972 107 N CB 0.268 38.694 38.487 -0.102 0.000 1.207 107 N HN 0.451 nan 8.380 nan 0.000 0.525 108 T N -0.847 113.702 114.554 -0.009 0.000 2.699 108 T HA -0.176 4.173 4.350 -0.003 0.000 0.268 108 T C 0.728 175.548 174.700 0.200 0.000 1.036 108 T CA 1.526 63.667 62.100 0.069 0.000 1.147 108 T CB -0.513 68.386 68.868 0.050 0.000 0.862 108 T HN 0.532 nan 8.240 nan 0.000 0.446 109 H N -0.101 118.981 119.070 0.020 0.000 2.539 109 H HA 0.385 4.939 4.556 -0.002 0.000 0.269 109 H C 2.088 177.482 175.328 0.109 0.000 0.980 109 H CA -0.220 55.846 56.048 0.030 0.000 1.152 109 H CB -0.388 29.249 29.762 -0.208 0.000 1.407 109 H HN 0.432 nan 8.280 nan 0.000 0.564 110 G N 0.107 109.017 108.800 0.182 0.000 3.088 110 G HA2 -0.000 3.958 3.960 -0.003 0.000 0.217 110 G HA3 -0.000 3.958 3.960 -0.003 0.000 0.217 110 G C 1.524 176.519 174.900 0.159 0.000 1.159 110 G CA -0.189 45.015 45.100 0.173 0.000 0.760 110 G HN 0.157 nan 8.290 nan 0.000 0.550 111 I N 2.279 122.944 120.570 0.157 0.000 2.113 111 I HA -0.181 3.987 4.170 -0.003 0.000 0.242 111 I C 2.925 179.137 176.117 0.158 0.000 1.064 111 I CA 1.803 63.188 61.300 0.141 0.000 1.320 111 I CB -1.315 36.760 38.000 0.125 0.000 1.028 111 I HN 0.230 nan 8.210 nan 0.000 0.406 112 G N 0.269 109.154 108.800 0.141 0.000 2.459 112 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.217 112 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.217 112 G C 1.678 176.673 174.900 0.158 0.000 1.183 112 G CA 1.195 46.363 45.100 0.113 0.000 0.776 112 G HN 0.294 nan 8.290 nan 0.000 0.552 113 M N 1.461 121.149 119.600 0.148 0.000 2.175 113 M HA 0.248 4.727 4.480 -0.003 0.000 0.264 113 M C 2.608 179.021 176.300 0.187 0.000 1.063 113 M CA 1.457 56.852 55.300 0.159 0.000 1.119 113 M CB -0.405 32.275 32.600 0.132 0.000 1.377 113 M HN 0.231 nan 8.290 nan 0.000 0.415 114 A N -1.127 121.787 122.820 0.157 0.000 1.930 114 A HA -0.212 4.106 4.320 -0.003 0.000 0.217 114 A C 2.289 179.956 177.584 0.137 0.000 1.175 114 A CA 1.841 53.948 52.037 0.116 0.000 0.627 114 A CB -1.242 17.808 19.000 0.084 0.000 0.815 114 A HN 0.721 nan 8.150 nan 0.000 0.443 115 H N -1.029 118.096 119.070 0.091 0.000 2.326 115 H HA -0.197 4.358 4.556 -0.003 0.000 0.301 115 H C 2.074 177.470 175.328 0.113 0.000 1.081 115 H CA 2.268 58.369 56.048 0.088 0.000 1.334 115 H CB -0.384 29.429 29.762 0.085 0.000 1.385 115 H HN 0.734 nan 8.280 nan 0.000 0.504 116 H N 0.374 119.585 119.070 0.235 0.000 2.321 116 H HA -0.043 4.511 4.556 -0.003 0.000 0.300 116 H C 2.235 177.625 175.328 0.103 0.000 1.087 116 H CA 2.290 58.435 56.048 0.161 0.000 1.319 116 H CB -0.349 29.480 29.762 0.111 0.000 1.379 116 H HN 0.382 nan 8.280 nan 0.000 0.501 117 A N -0.669 122.215 122.820 0.106 0.000 1.933 117 A HA -0.166 4.153 4.320 -0.003 0.000 0.218 117 A C 2.476 180.079 177.584 0.032 0.000 1.175 117 A CA 2.024 54.082 52.037 0.035 0.000 0.628 117 A CB -0.976 18.073 19.000 0.082 0.000 0.814 117 A HN 0.584 nan 8.150 nan 0.000 0.444 118 T N -0.385 114.179 114.554 0.016 0.000 2.777 118 T HA -0.094 4.255 4.350 -0.003 0.000 0.266 118 T C 1.895 176.640 174.700 0.075 0.000 1.040 118 T CA 1.472 63.593 62.100 0.035 0.000 1.141 118 T CB -0.419 68.417 68.868 -0.054 0.000 0.868 118 T HN 0.160 nan 8.240 nan 0.000 0.444 119 V N 1.846 121.737 119.914 -0.039 0.000 2.287 119 V HA -0.198 3.920 4.120 -0.003 0.000 0.248 119 V C 2.723 178.789 176.094 -0.047 0.000 1.053 119 V CA 1.614 63.876 62.300 -0.063 0.000 1.027 119 V CB -0.549 31.235 31.823 -0.065 0.000 0.646 119 V HN 0.390 nan 8.190 nan 0.000 0.447 120 R N -1.392 119.062 120.500 -0.077 0.000 2.091 120 R HA -0.243 4.095 4.340 -0.003 0.000 0.238 120 R C 2.123 178.447 176.300 0.039 0.000 1.136 120 R CA 2.106 58.166 56.100 -0.067 0.000 0.959 120 R CB -0.629 29.584 30.300 -0.146 0.000 0.856 120 R HN 0.707 nan 8.270 nan 0.000 0.437 121 W N 1.429 122.682 121.300 -0.079 0.000 2.358 121 W HA -0.127 4.532 4.660 -0.002 0.000 0.303 121 W C 2.051 178.556 176.519 -0.024 0.000 1.208 121 W CA 1.321 58.637 57.345 -0.048 0.000 1.274 121 W CB -0.132 29.305 29.460 -0.038 0.000 1.138 121 W HN -0.057 nan 8.180 nan 0.000 0.515 122 M N -0.441 119.269 119.600 0.183 0.000 2.175 122 M HA -0.210 4.268 4.480 -0.003 0.000 0.264 122 M C 1.813 178.134 176.300 0.035 0.000 1.063 122 M CA 1.498 56.870 55.300 0.120 0.000 1.119 122 M CB -0.727 32.002 32.600 0.216 0.000 1.377 122 M HN -0.143 nan 8.290 nan 0.000 0.415 123 V N 0.393 120.273 119.914 -0.057 0.000 2.407 123 V HA -0.266 3.853 4.120 -0.003 0.000 0.248 123 V C 1.637 177.724 176.094 -0.013 0.000 1.055 123 V CA 1.747 64.042 62.300 -0.007 0.000 1.049 123 V CB -0.659 31.133 31.823 -0.052 0.000 0.662 123 V HN 0.407 nan 8.190 nan 0.000 0.455 124 D N -0.328 119.994 120.400 -0.130 0.000 2.149 124 D HA -0.093 4.545 4.640 -0.003 0.000 0.206 124 D C 2.303 178.409 176.300 -0.324 0.000 0.967 124 D CA 0.969 54.856 54.000 -0.188 0.000 0.848 124 D CB -0.221 40.460 40.800 -0.198 0.000 0.998 124 D HN 0.267 nan 8.370 nan 0.000 0.474 125 R N 0.149 120.277 120.500 -0.621 0.000 2.092 125 R HA -0.111 4.227 4.340 -0.003 0.000 0.231 125 R C 0.399 176.283 176.300 -0.694 0.000 1.119 125 R CA 1.199 56.766 56.100 -0.888 0.000 0.970 125 R CB -0.542 28.735 30.300 -1.705 0.000 0.864 125 R HN 0.157 nan 8.270 nan 0.000 0.440 126 Y N -0.004 120.199 120.300 -0.162 0.000 2.724 126 Y HA 0.482 5.030 4.550 -0.003 0.000 0.370 126 Y C 1.096 176.980 175.900 -0.025 0.000 0.978 126 Y CA -0.308 57.752 58.100 -0.065 0.000 1.443 126 Y CB 0.223 38.699 38.460 0.027 0.000 1.386 126 Y HN 0.167 nan 8.280 nan 0.000 0.557 127 A N 0.069 122.904 122.820 0.026 0.000 1.978 127 A HA -0.220 4.098 4.320 -0.003 0.000 0.220 127 A C 2.334 179.922 177.584 0.007 0.000 1.170 127 A CA 2.127 54.178 52.037 0.023 0.000 0.636 127 A CB -0.642 18.342 19.000 -0.026 0.000 0.810 127 A HN 0.520 nan 8.150 nan 0.000 0.448 128 S N -1.577 114.114 115.700 -0.015 0.000 2.507 128 S HA -0.062 4.406 4.470 -0.003 0.000 0.235 128 S C 1.518 176.074 174.600 -0.073 0.000 0.988 128 S CA 1.616 59.794 58.200 -0.037 0.000 0.944 128 S CB -0.501 62.677 63.200 -0.036 0.000 0.762 128 S HN 0.486 nan 8.310 nan 0.000 0.526 129 T N 0.276 114.755 114.554 -0.125 0.000 2.988 129 T HA 0.231 4.579 4.350 -0.003 0.000 0.240 129 T C 0.974 175.472 174.700 -0.336 0.000 1.014 129 T CA 0.600 62.516 62.100 -0.307 0.000 1.155 129 T CB -0.282 68.229 68.868 -0.595 0.000 0.872 129 T HN 0.476 nan 8.240 nan 0.000 0.440 130 Y N 1.651 121.948 120.300 -0.005 0.000 2.503 130 Y HA 0.300 4.848 4.550 -0.003 0.000 0.278 130 Y C 1.472 177.361 175.900 -0.020 0.000 1.111 130 Y CA 0.012 58.099 58.100 -0.022 0.000 1.270 130 Y CB -0.020 38.438 38.460 -0.002 0.000 1.063 130 Y HN 0.179 nan 8.280 nan 0.000 0.548 131 Q N 1.586 121.450 119.800 0.106 0.000 3.135 131 Q HA 0.210 4.548 4.340 -0.003 0.000 0.344 131 Q C 0.020 176.028 176.000 0.014 0.000 1.321 131 Q CA -0.132 55.705 55.803 0.056 0.000 1.050 131 Q CB -0.053 28.708 28.738 0.039 0.000 1.498 131 Q HN 0.331 nan 8.270 nan 0.000 0.503 132 T N -4.452 110.102 114.554 -0.001 0.000 2.626 132 T HA 0.274 4.623 4.350 -0.003 0.000 0.279 132 T C 0.088 174.749 174.700 -0.065 0.000 0.983 132 T CA -0.672 61.406 62.100 -0.038 0.000 1.059 132 T CB 1.029 69.864 68.868 -0.056 0.000 1.396 132 T HN -0.074 nan 8.240 nan 0.000 0.519 133 D N 0.569 120.901 120.400 -0.113 0.000 2.339 133 D HA 0.188 4.826 4.640 -0.003 0.000 0.217 133 D C -0.301 175.766 176.300 -0.388 0.000 1.050 133 D CA 0.076 53.954 54.000 -0.203 0.000 0.856 133 D CB -0.003 40.693 40.800 -0.173 0.000 0.922 133 D HN 0.401 nan 8.370 nan 0.000 0.518 134 D N 0.160 120.396 120.400 -0.274 0.000 2.414 134 D HA -0.027 4.611 4.640 -0.003 0.000 0.242 134 D C -0.107 176.014 176.300 -0.299 0.000 1.129 134 D CA 0.178 53.990 54.000 -0.314 0.000 0.885 134 D CB 0.551 41.232 40.800 -0.198 0.000 1.198 134 D HN -0.024 nan 8.370 nan 0.000 0.437 135 F N 2.106 122.039 119.950 -0.029 0.000 2.405 135 F HA 0.200 4.725 4.527 -0.003 0.000 0.358 135 F C 0.095 175.844 175.800 -0.084 0.000 1.151 135 F CA -0.486 57.536 58.000 0.037 0.000 1.161 135 F CB 0.004 39.080 39.000 0.126 0.000 1.245 135 F HN -0.059 nan 8.300 nan 0.000 0.545 136 L N 3.451 124.727 121.223 0.089 0.000 2.388 136 L HA 0.568 4.906 4.340 -0.003 0.000 0.264 136 L C -0.891 176.009 176.870 0.049 0.000 0.998 136 L CA -1.430 53.279 54.840 -0.220 0.000 0.817 136 L CB 1.746 43.712 42.059 -0.155 0.000 1.338 136 L HN 0.597 nan 8.230 nan 0.000 0.414 137 W N 2.326 123.662 121.300 0.060 0.000 2.882 137 W HA 0.887 5.545 4.660 -0.003 0.000 0.345 137 W C -1.227 175.295 176.519 0.004 0.000 1.125 137 W CA -0.929 56.423 57.345 0.012 0.000 1.167 137 W CB 0.732 30.183 29.460 -0.014 0.000 1.431 137 W HN 0.236 nan 8.180 nan 0.000 0.543 138 I N 2.780 123.441 120.570 0.150 0.000 2.406 138 I HA 0.397 4.565 4.170 -0.003 0.000 0.290 138 I C -0.373 175.826 176.117 0.137 0.000 0.999 138 I CA -1.276 60.049 61.300 0.043 0.000 1.124 138 I CB 1.605 39.502 38.000 -0.172 0.000 1.289 138 I HN 0.446 nan 8.210 nan 0.000 0.441 139 M N 7.956 127.653 119.600 0.162 0.000 1.960 139 M HA 0.332 4.810 4.480 -0.003 0.000 0.271 139 M C -2.574 173.795 176.300 0.115 0.000 0.862 139 M CA -1.569 53.842 55.300 0.186 0.000 0.854 139 M CB 1.178 33.929 32.600 0.253 0.000 1.575 139 M HN 0.211 nan 8.290 nan 0.000 0.375 140 P HA 0.205 nan 4.420 nan 0.000 0.274 140 P C -0.553 176.716 177.300 -0.052 0.000 1.237 140 P CA -0.377 62.681 63.100 -0.070 0.000 0.793 140 P CB 1.139 32.701 31.700 -0.230 0.000 0.977 141 V N 2.440 122.296 119.914 -0.097 0.000 2.334 141 V HA 0.198 4.316 4.120 -0.003 0.000 0.267 141 V C 0.257 176.291 176.094 -0.099 0.000 1.040 141 V CA -0.292 61.914 62.300 -0.158 0.000 0.866 141 V CB 1.096 32.663 31.823 -0.427 0.000 1.019 141 V HN 0.245 nan 8.190 nan 0.000 0.468 142 V N 4.469 124.370 119.914 -0.021 0.000 2.531 142 V HA 0.910 5.028 4.120 -0.003 0.000 0.301 142 V C 0.196 176.304 176.094 0.024 0.000 1.034 142 V CA -0.323 61.985 62.300 0.014 0.000 0.865 142 V CB 1.618 33.491 31.823 0.084 0.000 0.995 142 V HN 0.935 nan 8.190 nan 0.000 0.424 143 A N 4.374 127.204 122.820 0.016 0.000 2.486 143 A HA 1.116 5.434 4.320 -0.003 0.000 0.289 143 A C -0.872 176.735 177.584 0.038 0.000 1.176 143 A CA -0.591 51.459 52.037 0.021 0.000 0.757 143 A CB 2.226 21.231 19.000 0.009 0.000 1.337 143 A HN 1.051 nan 8.150 nan 0.000 0.423 144 E N -1.274 118.951 120.200 0.041 0.000 2.430 144 E HA 0.677 5.025 4.350 -0.003 0.000 0.279 144 E C -0.684 175.947 176.600 0.052 0.000 1.003 144 E CA -0.330 56.099 56.400 0.049 0.000 0.801 144 E CB 1.294 31.030 29.700 0.060 0.000 1.313 144 E HN 0.885 nan 8.360 nan 0.000 0.459 145 T N -2.121 112.466 114.554 0.055 0.000 2.901 145 T HA 0.530 4.879 4.350 -0.003 0.000 0.293 145 T C -1.451 173.298 174.700 0.082 0.000 1.084 145 T CA -0.867 61.278 62.100 0.075 0.000 1.008 145 T CB 0.934 69.847 68.868 0.074 0.000 1.170 145 T HN 0.568 nan 8.240 nan 0.000 0.509 146 Y N 2.425 122.700 120.300 -0.042 0.000 2.404 146 Y HA 0.411 4.959 4.550 -0.004 0.000 0.344 146 Y C 0.043 175.898 175.900 -0.075 0.000 0.970 146 Y CA -1.080 56.968 58.100 -0.087 0.000 1.180 146 Y CB 0.777 39.185 38.460 -0.087 0.000 1.138 146 Y HN 0.816 nan 8.280 nan 0.000 0.510 147 D N 2.310 122.360 120.400 -0.582 0.000 2.615 147 D HA 0.153 4.791 4.640 -0.003 0.000 0.236 147 D C 1.502 177.420 176.300 -0.637 0.000 1.233 147 D CA 0.068 53.794 54.000 -0.456 0.000 0.829 147 D CB 0.082 40.735 40.800 -0.246 0.000 1.024 147 D HN 0.726 nan 8.370 nan 0.000 0.490 148 G N 0.253 108.283 108.800 -1.284 0.000 2.471 148 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.219 148 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.219 148 G C 1.489 176.214 174.900 -0.291 0.000 1.125 148 G CA 0.587 45.199 45.100 -0.815 0.000 0.775 148 G HN 0.461 nan 8.290 nan 0.000 0.548 149 A N -0.000 122.705 122.820 -0.191 0.000 1.930 149 A HA 0.220 4.538 4.320 -0.003 0.000 0.217 149 A C 2.062 179.601 177.584 -0.074 0.000 1.175 149 A CA 1.068 53.065 52.037 -0.066 0.000 0.627 149 A CB -0.133 18.849 19.000 -0.029 0.000 0.815 149 A HN 0.307 nan 8.150 nan 0.000 0.443 150 L N -1.265 119.896 121.223 -0.103 0.000 2.638 150 L HA 0.302 4.641 4.340 -0.003 0.000 0.232 150 L C 0.213 177.033 176.870 -0.085 0.000 1.099 150 L CA 0.419 55.217 54.840 -0.071 0.000 0.883 150 L CB -0.680 41.344 42.059 -0.058 0.000 1.136 150 L HN 0.489 nan 8.230 nan 0.000 0.492 151 N N -0.798 117.819 118.700 -0.137 0.000 2.319 151 N HA 0.112 4.851 4.740 -0.003 0.000 0.305 151 N C -0.684 174.739 175.510 -0.145 0.000 1.103 151 N CA -0.410 52.557 53.050 -0.137 0.000 0.815 151 N CB 1.445 39.829 38.487 -0.171 0.000 1.288 151 N HN -0.148 nan 8.380 nan 0.000 0.493 152 D N 2.979 123.311 120.400 -0.113 0.000 2.608 152 D HA 0.076 4.714 4.640 -0.003 0.000 0.224 152 D C 1.194 177.406 176.300 -0.148 0.000 1.123 152 D CA 0.021 53.959 54.000 -0.103 0.000 1.030 152 D CB -0.703 40.054 40.800 -0.070 0.000 1.093 152 D HN 0.617 nan 8.370 nan 0.000 0.497 153 I N 1.590 122.035 120.570 -0.208 0.000 2.361 153 I HA -0.216 3.952 4.170 -0.003 0.000 0.251 153 I C 0.980 176.885 176.117 -0.354 0.000 1.133 153 I CA 0.767 61.889 61.300 -0.295 0.000 1.413 153 I CB 0.168 37.929 38.000 -0.398 0.000 1.073 153 I HN 0.170 nan 8.210 nan 0.000 0.424 154 N N 0.846 119.419 118.700 -0.212 0.000 2.449 154 N HA 0.045 4.784 4.740 -0.003 0.000 0.191 154 N C 1.350 176.792 175.510 -0.113 0.000 1.161 154 N CA 0.782 53.701 53.050 -0.217 0.000 0.863 154 N CB 0.229 38.730 38.487 0.024 0.000 0.980 154 N HN 0.441 nan 8.380 nan 0.000 0.458 155 G N -0.650 108.087 108.800 -0.106 0.000 2.939 155 G HA2 0.028 3.986 3.960 -0.003 0.000 0.210 155 G HA3 0.028 3.986 3.960 -0.003 0.000 0.210 155 G C -0.083 174.931 174.900 0.189 0.000 1.160 155 G CA -0.440 44.703 45.100 0.073 0.000 0.770 155 G HN 0.189 nan 8.290 nan 0.000 0.543 156 F N 0.023 119.995 119.950 0.037 0.000 2.773 156 F HA -0.166 4.360 4.527 -0.002 0.000 0.251 156 F C -0.539 175.272 175.800 0.019 0.000 1.020 156 F CA 0.110 58.133 58.000 0.037 0.000 0.924 156 F CB -1.284 37.734 39.000 0.031 0.000 0.919 156 F HN 0.223 nan 8.300 nan 0.000 0.846 157 P HA -0.038 nan 4.420 nan 0.000 0.221 157 P C 0.552 177.890 177.300 0.063 0.000 1.150 157 P CA 0.898 64.030 63.100 0.053 0.000 0.800 157 P CB 0.354 32.055 31.700 0.001 0.000 0.787 158 V N 2.272 122.231 119.914 0.074 0.000 2.470 158 V HA 0.147 4.265 4.120 -0.003 0.000 0.276 158 V C 1.128 177.277 176.094 0.091 0.000 1.040 158 V CA 0.120 62.462 62.300 0.070 0.000 1.008 158 V CB 0.480 32.342 31.823 0.064 0.000 0.990 158 V HN 0.271 nan 8.190 nan 0.000 0.477 159 T N 0.657 115.254 114.554 0.072 0.000 2.937 159 T HA 0.356 4.704 4.350 -0.003 0.000 0.283 159 T C 1.003 175.750 174.700 0.078 0.000 1.012 159 T CA -0.330 61.815 62.100 0.074 0.000 0.997 159 T CB 1.582 70.486 68.868 0.059 0.000 1.136 159 T HN 0.653 nan 8.240 nan 0.000 0.551 160 E N 0.161 120.417 120.200 0.093 0.000 2.118 160 E HA -0.149 4.200 4.350 -0.003 0.000 0.195 160 E C 2.211 178.856 176.600 0.075 0.000 0.992 160 E CA 1.221 57.687 56.400 0.109 0.000 0.804 160 E CB -0.566 29.224 29.700 0.150 0.000 0.741 160 E HN 0.761 nan 8.360 nan 0.000 0.458 161 A N 1.086 123.944 122.820 0.064 0.000 1.969 161 A HA -0.191 4.127 4.320 -0.003 0.000 0.218 161 A C 1.791 179.396 177.584 0.036 0.000 1.169 161 A CA 1.636 53.704 52.037 0.051 0.000 0.635 161 A CB -0.336 18.691 19.000 0.045 0.000 0.810 161 A HN 0.289 nan 8.150 nan 0.000 0.445 162 D N -0.404 120.017 120.400 0.035 0.000 2.097 162 D HA -0.125 4.513 4.640 -0.003 0.000 0.197 162 D C 2.152 178.455 176.300 0.005 0.000 0.984 162 D CA 1.725 55.739 54.000 0.024 0.000 0.826 162 D CB -0.470 40.349 40.800 0.032 0.000 0.973 162 D HN 0.342 nan 8.370 nan 0.000 0.460 163 V N 1.111 121.028 119.914 0.006 0.000 2.427 163 V HA -0.153 3.965 4.120 -0.003 0.000 0.248 163 V C 2.165 178.197 176.094 -0.104 0.000 1.051 163 V CA 1.281 63.557 62.300 -0.040 0.000 1.048 163 V CB -0.223 31.587 31.823 -0.021 0.000 0.666 163 V HN 0.039 nan 8.190 nan 0.000 0.456 164 R N -0.087 120.382 120.500 -0.053 0.000 2.096 164 R HA -0.117 4.221 4.340 -0.003 0.000 0.235 164 R C 2.522 178.777 176.300 -0.076 0.000 1.127 164 R CA 1.545 57.605 56.100 -0.067 0.000 0.968 164 R CB -0.466 29.878 30.300 0.073 0.000 0.861 164 R HN 0.469 nan 8.270 nan 0.000 0.440 165 K N 0.805 121.187 120.400 -0.029 0.000 2.032 165 K HA -0.120 4.198 4.320 -0.003 0.000 0.209 165 K C 1.992 178.560 176.600 -0.054 0.000 1.048 165 K CA 1.488 57.765 56.287 -0.016 0.000 0.927 165 K CB -0.118 32.386 32.500 0.007 0.000 0.712 165 K HN 0.128 nan 8.250 nan 0.000 0.441 166 A N 1.408 124.179 122.820 -0.082 0.000 1.883 166 A HA -0.153 4.165 4.320 -0.003 0.000 0.217 166 A C 2.301 179.757 177.584 -0.213 0.000 1.186 166 A CA 1.364 53.334 52.037 -0.112 0.000 0.624 166 A CB -0.631 18.308 19.000 -0.101 0.000 0.822 166 A HN 0.294 nan 8.150 nan 0.000 0.444 167 L N -0.604 120.402 121.223 -0.361 0.000 2.046 167 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 167 L C 1.826 178.507 176.870 -0.315 0.000 1.077 167 L CA 1.413 55.876 54.840 -0.629 0.000 0.747 167 L CB -0.535 40.626 42.059 -1.495 0.000 0.896 167 L HN 0.282 nan 8.230 nan 0.000 0.432 168 D N -0.476 119.855 120.400 -0.115 0.000 2.312 168 D HA -0.099 4.540 4.640 -0.003 0.000 0.211 168 D C 1.513 177.833 176.300 0.032 0.000 0.964 168 D CA 0.689 54.742 54.000 0.088 0.000 0.877 168 D CB -0.138 40.734 40.800 0.120 0.000 0.924 168 D HN 0.229 nan 8.370 nan 0.000 0.515 169 N N 0.214 118.899 118.700 -0.026 0.000 2.398 169 N HA -0.014 4.724 4.740 -0.003 0.000 0.188 169 N C 0.246 175.726 175.510 -0.050 0.000 1.122 169 N CA -0.027 53.009 53.050 -0.022 0.000 0.866 169 N CB 0.395 38.870 38.487 -0.020 0.000 0.970 169 N HN 0.098 nan 8.380 nan 0.000 0.462 170 V N -0.760 119.113 119.914 -0.068 0.000 2.788 170 V HA 0.528 4.646 4.120 -0.003 0.000 0.307 170 V C 0.370 176.440 176.094 -0.040 0.000 1.069 170 V CA -0.818 61.432 62.300 -0.083 0.000 1.173 170 V CB 0.219 32.002 31.823 -0.067 0.000 0.925 170 V HN 0.176 nan 8.190 nan 0.000 0.492 171 A N 3.615 126.401 122.820 -0.057 0.000 2.609 171 A HA 0.855 5.174 4.320 -0.003 0.000 0.291 171 A C -0.070 177.485 177.584 -0.047 0.000 1.096 171 A CA -0.198 51.818 52.037 -0.035 0.000 0.684 171 A CB 1.290 20.268 19.000 -0.035 0.000 1.282 171 A HN 1.822 nan 8.150 nan 0.000 0.412 172 S N 0.032 115.711 115.700 -0.036 0.000 2.598 172 S HA 0.831 5.299 4.470 -0.003 0.000 0.267 172 S C 0.961 175.476 174.600 -0.143 0.000 1.189 172 S CA 0.362 58.535 58.200 -0.046 0.000 1.010 172 S CB 0.144 63.347 63.200 0.005 0.000 1.084 172 S HN 2.811 nan 8.310 nan 0.000 0.541 173 G N 0.051 108.690 108.800 -0.268 0.000 2.681 173 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.220 173 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.220 173 G C -3.290 171.160 174.900 -0.750 0.000 1.353 173 G CA -0.620 44.031 45.100 -0.748 0.000 0.872 173 G HN 0.785 nan 8.290 nan 0.000 0.557 174 P HA 0.428 nan 4.420 nan 0.000 0.268 174 P C -0.129 177.101 177.300 -0.118 0.000 1.205 174 P CA -0.289 62.609 63.100 -0.337 0.000 0.771 174 P CB 1.057 32.650 31.700 -0.177 0.000 0.858 175 V N 3.656 123.566 119.914 -0.006 0.000 2.459 175 V HA 0.243 4.362 4.120 -0.003 0.000 0.295 175 V C 0.435 176.610 176.094 0.136 0.000 1.029 175 V CA -0.625 61.740 62.300 0.109 0.000 0.874 175 V CB 1.299 33.197 31.823 0.126 0.000 0.985 175 V HN 0.522 nan 8.190 nan 0.000 0.438 176 Q N 3.167 123.088 119.800 0.202 0.000 2.364 176 Q HA 0.272 4.611 4.340 -0.003 0.000 0.267 176 Q C -0.417 175.531 176.000 -0.087 0.000 0.999 176 Q CA 0.246 56.056 55.803 0.011 0.000 0.886 176 Q CB 0.878 29.557 28.738 -0.098 0.000 1.243 176 Q HN 0.782 nan 8.270 nan 0.000 0.415 177 E N 0.972 121.114 120.200 -0.097 0.000 2.393 177 E HA 0.637 4.985 4.350 -0.003 0.000 0.265 177 E C -0.158 176.376 176.600 -0.111 0.000 0.941 177 E CA -0.345 56.003 56.400 -0.087 0.000 0.801 177 E CB 1.765 31.454 29.700 -0.018 0.000 1.313 177 E HN 0.914 nan 8.360 nan 0.000 0.435 178 G N 1.345 110.099 108.800 -0.076 0.000 2.603 178 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.245 178 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.245 178 G C -0.497 174.354 174.900 -0.082 0.000 1.195 178 G CA -0.344 44.725 45.100 -0.051 0.000 0.953 178 G HN 0.487 nan 8.290 nan 0.000 0.566 179 N N 2.118 120.770 118.700 -0.080 0.000 3.050 179 N HA 0.446 5.184 4.740 -0.003 0.000 0.289 179 N C 0.179 175.606 175.510 -0.138 0.000 1.209 179 N CA 0.812 53.813 53.050 -0.082 0.000 1.154 179 N CB -0.751 37.706 38.487 -0.051 0.000 1.444 179 N HN 1.167 nan 8.380 nan 0.000 0.529 180 C N -2.570 116.601 119.300 -0.215 0.000 3.086 180 C HA 0.923 5.381 4.460 -0.003 0.000 0.311 180 C C 1.077 175.888 174.990 -0.297 0.000 1.260 180 C CA -0.272 58.543 59.018 -0.339 0.000 1.426 180 C CB 1.076 28.439 27.740 -0.629 0.000 1.826 180 C HN 0.670 nan 8.230 nan 0.000 0.474 181 G N 1.754 110.474 108.800 -0.134 0.000 2.566 181 G HA2 0.123 4.082 3.960 -0.003 0.000 0.280 181 G HA3 0.123 4.082 3.960 -0.003 0.000 0.280 181 G C 1.009 175.958 174.900 0.083 0.000 1.225 181 G CA 0.708 45.902 45.100 0.157 0.000 0.966 181 G HN 2.377 nan 8.290 nan 0.000 0.560 182 G N 0.166 109.041 108.800 0.125 0.000 2.470 182 G HA2 0.275 4.233 3.960 -0.003 0.000 0.220 182 G HA3 0.275 4.233 3.960 -0.003 0.000 0.220 182 G C 1.640 176.561 174.900 0.035 0.000 1.121 182 G CA 1.609 46.749 45.100 0.066 0.000 0.766 182 G HN 1.790 nan 8.290 nan 0.000 0.553 183 G N -0.259 108.558 108.800 0.029 0.000 2.813 183 G HA2 0.063 4.022 3.960 -0.003 0.000 0.209 183 G HA3 0.063 4.022 3.960 -0.003 0.000 0.209 183 G C 1.599 176.488 174.900 -0.019 0.000 1.150 183 G CA 1.145 46.251 45.100 0.010 0.000 0.785 183 G HN 0.311 nan 8.290 nan 0.000 0.535 184 T N 0.967 115.500 114.554 -0.035 0.000 2.597 184 T HA -0.136 4.213 4.350 -0.003 0.000 0.267 184 T C 2.165 176.843 174.700 -0.037 0.000 1.053 184 T CA 1.629 63.701 62.100 -0.046 0.000 1.165 184 T CB -0.291 68.550 68.868 -0.044 0.000 0.863 184 T HN 0.326 nan 8.240 nan 0.000 0.427 185 G N 1.021 109.795 108.800 -0.043 0.000 3.448 185 G HA2 0.336 4.294 3.960 -0.003 0.000 0.261 185 G HA3 0.336 4.294 3.960 -0.003 0.000 0.261 185 G C 0.221 175.095 174.900 -0.044 0.000 1.173 185 G CA -0.320 44.749 45.100 -0.051 0.000 0.835 185 G HN 0.209 nan 8.290 nan 0.000 0.534 186 M N 0.561 120.151 119.600 -0.016 0.000 2.291 186 M HA 0.504 4.982 4.480 -0.003 0.000 0.324 186 M C -0.238 176.080 176.300 0.030 0.000 1.148 186 M CA -0.871 54.434 55.300 0.007 0.000 1.104 186 M CB 1.403 34.023 32.600 0.035 0.000 1.483 186 M HN -0.130 nan 8.290 nan 0.000 0.467 187 I N 0.336 120.930 120.570 0.039 0.000 2.498 187 I HA 0.375 4.543 4.170 -0.003 0.000 0.290 187 I C -0.178 175.969 176.117 0.050 0.000 1.032 187 I CA -0.442 60.884 61.300 0.044 0.000 1.073 187 I CB 2.267 40.272 38.000 0.010 0.000 1.251 187 I HN 0.545 nan 8.210 nan 0.000 0.426 188 T N 4.565 119.169 114.554 0.083 0.000 2.879 188 T HA 0.428 4.776 4.350 -0.003 0.000 0.290 188 T C -0.530 174.238 174.700 0.114 0.000 0.993 188 T CA -0.071 62.045 62.100 0.027 0.000 0.975 188 T CB 0.289 69.235 68.868 0.129 0.000 0.981 188 T HN 0.516 nan 8.240 nan 0.000 0.439 189 Y N 2.442 122.689 120.300 -0.088 0.000 3.589 189 Y HA -0.244 4.303 4.550 -0.004 0.000 0.218 189 Y C 1.504 177.301 175.900 -0.173 0.000 1.234 189 Y CA 1.400 59.445 58.100 -0.092 0.000 1.576 189 Y CB -1.829 36.647 38.460 0.027 0.000 1.487 189 Y HN 1.301 nan 8.280 nan 0.000 0.616 190 G N -2.365 106.362 108.800 -0.122 0.000 2.168 190 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.263 190 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.263 190 G C 0.022 174.728 174.900 -0.323 0.000 0.977 190 G CA 0.433 45.381 45.100 -0.253 0.000 0.659 190 G HN 0.423 nan 8.290 nan 0.000 0.533 191 F N -0.545 119.426 119.950 0.035 0.000 2.572 191 F HA 0.748 5.274 4.527 -0.003 0.000 0.342 191 F C 0.594 176.415 175.800 0.034 0.000 1.064 191 F CA -1.398 56.625 58.000 0.038 0.000 1.008 191 F CB 1.022 40.057 39.000 0.058 0.000 1.303 191 F HN -0.046 nan 8.300 nan 0.000 0.492 192 K N 0.654 121.215 120.400 0.268 0.000 2.412 192 K HA 0.465 4.783 4.320 -0.003 0.000 0.281 192 K C 0.026 176.712 176.600 0.142 0.000 1.027 192 K CA 0.249 56.622 56.287 0.144 0.000 0.989 192 K CB 0.256 32.815 32.500 0.098 0.000 0.935 192 K HN 0.722 nan 8.250 nan 0.000 0.475 193 G N 1.164 110.028 108.800 0.107 0.000 3.122 193 G HA2 0.758 4.716 3.960 -0.003 0.000 0.180 193 G HA3 0.758 4.716 3.960 -0.003 0.000 0.180 193 G C -0.092 174.852 174.900 0.073 0.000 1.279 193 G CA -0.353 44.815 45.100 0.113 0.000 0.987 193 G HN 0.949 nan 8.290 nan 0.000 0.589 194 G N -2.055 106.790 108.800 0.076 0.000 2.288 194 G HA2 0.350 4.308 3.960 -0.003 0.000 0.227 194 G HA3 0.350 4.308 3.960 -0.003 0.000 0.227 194 G C -0.645 174.285 174.900 0.050 0.000 1.339 194 G CA 0.121 45.245 45.100 0.040 0.000 1.057 194 G HN 0.976 nan 8.290 nan 0.000 0.470 195 T N 0.737 115.301 114.554 0.015 0.000 2.856 195 T HA 0.638 4.987 4.350 -0.003 0.000 0.292 195 T C 0.446 175.171 174.700 0.041 0.000 0.980 195 T CA 0.669 62.793 62.100 0.040 0.000 1.091 195 T CB 1.224 70.094 68.868 0.003 0.000 0.936 195 T HN 1.574 nan 8.240 nan 0.000 0.503 196 G N 0.639 109.477 108.800 0.064 0.000 2.660 196 G HA2 0.660 4.619 3.960 -0.003 0.000 0.294 196 G HA3 0.660 4.619 3.960 -0.003 0.000 0.294 196 G C -1.194 173.732 174.900 0.044 0.000 1.369 196 G CA -0.545 44.581 45.100 0.043 0.000 0.912 196 G HN 0.764 nan 8.290 nan 0.000 0.479 197 T N -1.507 113.059 114.554 0.020 0.000 2.843 197 T HA 0.872 5.221 4.350 -0.003 0.000 0.302 197 T C -1.012 173.672 174.700 -0.028 0.000 1.232 197 T CA 0.500 62.608 62.100 0.013 0.000 1.009 197 T CB 1.660 70.559 68.868 0.052 0.000 1.254 197 T HN 2.097 nan 8.240 nan 0.000 0.504 198 A N 1.391 124.188 122.820 -0.037 0.000 2.566 198 A HA 0.873 5.191 4.320 -0.003 0.000 0.290 198 A C -0.826 176.732 177.584 -0.044 0.000 1.071 198 A CA -0.128 51.868 52.037 -0.068 0.000 0.658 198 A CB 1.027 19.942 19.000 -0.141 0.000 1.285 198 A HN 1.752 nan 8.150 nan 0.000 0.427 199 S N 0.101 115.776 115.700 -0.042 0.000 2.638 199 S HA 0.944 5.412 4.470 -0.003 0.000 0.274 199 S C -1.382 173.204 174.600 -0.024 0.000 1.157 199 S CA -0.932 57.253 58.200 -0.025 0.000 0.826 199 S CB 1.849 65.048 63.200 -0.002 0.000 1.139 199 S HN 0.893 nan 8.310 nan 0.000 0.474 200 R N 0.456 120.950 120.500 -0.011 0.000 2.651 200 R HA 0.632 4.970 4.340 -0.003 0.000 0.278 200 R C -1.571 174.738 176.300 0.016 0.000 1.010 200 R CA -0.673 55.428 56.100 0.002 0.000 0.896 200 R CB 1.867 32.172 30.300 0.008 0.000 1.211 200 R HN 0.638 nan 8.270 nan 0.000 0.456 201 V N 3.162 123.086 119.914 0.018 0.000 2.481 201 V HA 0.543 4.661 4.120 -0.003 0.000 0.286 201 V C 0.209 176.334 176.094 0.051 0.000 1.042 201 V CA -0.637 61.681 62.300 0.031 0.000 0.928 201 V CB 1.708 33.536 31.823 0.008 0.000 0.986 201 V HN 0.575 nan 8.190 nan 0.000 0.462 202 V N 1.402 121.372 119.914 0.093 0.000 3.040 202 V HA 0.686 4.804 4.120 -0.003 0.000 0.312 202 V C -0.590 175.602 176.094 0.162 0.000 1.115 202 V CA -0.817 61.552 62.300 0.116 0.000 0.998 202 V CB 2.099 34.003 31.823 0.135 0.000 1.042 202 V HN 0.834 nan 8.190 nan 0.000 0.433 203 E N 1.626 121.914 120.200 0.146 0.000 2.175 203 E HA 0.526 4.875 4.350 -0.003 0.000 0.278 203 E C -2.203 174.557 176.600 0.266 0.000 0.969 203 E CA -0.569 55.927 56.400 0.160 0.000 0.796 203 E CB 1.816 31.557 29.700 0.068 0.000 1.104 203 E HN 0.715 nan 8.360 nan 0.000 0.395 204 F N 2.390 122.460 119.950 0.200 0.000 2.579 204 F HA 0.367 4.892 4.527 -0.003 0.000 0.325 204 F C 0.476 176.381 175.800 0.174 0.000 1.162 204 F CA 0.127 58.228 58.000 0.168 0.000 0.946 204 F CB 1.622 40.716 39.000 0.158 0.000 1.211 204 F HN 0.654 nan 8.300 nan 0.000 0.447 205 G N 3.556 112.296 108.800 -0.100 0.000 2.341 205 G HA2 0.076 4.035 3.960 -0.003 0.000 0.292 205 G HA3 0.076 4.035 3.960 -0.003 0.000 0.292 205 G C 1.078 176.028 174.900 0.083 0.000 1.021 205 G CA 0.725 45.827 45.100 0.004 0.000 0.905 205 G HN 2.279 nan 8.290 nan 0.000 0.508 206 G N -1.942 106.890 108.800 0.054 0.000 2.159 206 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.256 206 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.256 206 G C 0.363 175.282 174.900 0.032 0.000 0.977 206 G CA 1.048 46.169 45.100 0.034 0.000 0.652 206 G HN 1.039 nan 8.290 nan 0.000 0.531 207 R N -0.465 120.080 120.500 0.075 0.000 2.854 207 R HA 0.673 5.011 4.340 -0.003 0.000 0.271 207 R C -0.789 175.381 176.300 -0.217 0.000 0.994 207 R CA -0.356 55.691 56.100 -0.087 0.000 0.945 207 R CB 1.897 32.144 30.300 -0.088 0.000 1.194 207 R HN 0.189 nan 8.270 nan 0.000 0.476 208 S N 1.232 116.661 115.700 -0.451 0.000 2.475 208 S HA 0.703 5.172 4.470 -0.003 0.000 0.298 208 S C -1.226 172.966 174.600 -0.680 0.000 1.119 208 S CA -0.424 57.570 58.200 -0.344 0.000 1.085 208 S CB 0.389 63.471 63.200 -0.197 0.000 1.028 208 S HN 0.345 nan 8.310 nan 0.000 0.489 209 F N 0.988 120.947 119.950 0.015 0.000 2.650 209 F HA 0.571 5.096 4.527 -0.003 0.000 0.320 209 F C 0.378 176.168 175.800 -0.017 0.000 1.091 209 F CA -0.629 57.365 58.000 -0.011 0.000 0.962 209 F CB 2.232 41.209 39.000 -0.038 0.000 1.363 209 F HN 0.337 nan 8.300 nan 0.000 0.482 210 T N 2.049 116.704 114.554 0.169 0.000 2.876 210 T HA 0.692 5.040 4.350 -0.003 0.000 0.289 210 T C -1.062 173.661 174.700 0.038 0.000 1.014 210 T CA -0.384 61.760 62.100 0.074 0.000 0.986 210 T CB 1.604 70.496 68.868 0.039 0.000 1.021 210 T HN 0.231 nan 8.240 nan 0.000 0.458 211 I N 2.180 122.755 120.570 0.009 0.000 2.362 211 I HA 0.612 4.780 4.170 -0.003 0.000 0.289 211 I C 0.605 176.697 176.117 -0.041 0.000 0.994 211 I CA -0.118 61.162 61.300 -0.033 0.000 1.158 211 I CB 1.735 39.718 38.000 -0.029 0.000 1.315 211 I HN 0.756 nan 8.210 nan 0.000 0.451 212 G N 4.201 112.958 108.800 -0.071 0.000 2.495 212 G HA2 0.840 4.798 3.960 -0.003 0.000 0.318 212 G HA3 0.840 4.798 3.960 -0.003 0.000 0.318 212 G C -1.493 173.362 174.900 -0.075 0.000 1.257 212 G CA -0.679 44.386 45.100 -0.057 0.000 0.962 212 G HN 0.754 nan 8.290 nan 0.000 0.483 213 A N 1.125 123.915 122.820 -0.050 0.000 2.401 213 A HA 0.844 5.162 4.320 -0.003 0.000 0.310 213 A C -1.207 176.370 177.584 -0.012 0.000 1.075 213 A CA -0.664 51.346 52.037 -0.046 0.000 0.746 213 A CB 1.869 20.834 19.000 -0.058 0.000 1.277 213 A HN 1.124 nan 8.150 nan 0.000 0.425 214 L N 2.411 123.641 121.223 0.011 0.000 2.410 214 L HA 0.804 5.143 4.340 -0.003 0.000 0.270 214 L C -1.566 175.333 176.870 0.049 0.000 0.983 214 L CA -0.624 54.243 54.840 0.046 0.000 0.822 214 L CB 1.978 44.081 42.059 0.073 0.000 1.285 214 L HN 0.535 nan 8.230 nan 0.000 0.409 215 V N 3.908 123.856 119.914 0.056 0.000 2.823 215 V HA 0.415 4.534 4.120 -0.003 0.000 0.312 215 V C -0.758 175.383 176.094 0.078 0.000 1.072 215 V CA -0.470 61.863 62.300 0.054 0.000 0.937 215 V CB 2.173 34.015 31.823 0.032 0.000 1.013 215 V HN 0.834 nan 8.190 nan 0.000 0.430 216 Q N 3.347 123.193 119.800 0.077 0.000 2.462 216 Q HA 0.681 5.019 4.340 -0.003 0.000 0.247 216 Q C -0.521 175.533 176.000 0.089 0.000 1.044 216 Q CA -0.526 55.328 55.803 0.084 0.000 0.803 216 Q CB 1.256 30.043 28.738 0.082 0.000 1.190 216 Q HN 0.894 nan 8.270 nan 0.000 0.507 217 A N 4.036 126.930 122.820 0.124 0.000 2.279 217 A HA 0.343 4.661 4.320 -0.003 0.000 0.306 217 A C -0.101 177.625 177.584 0.237 0.000 1.300 217 A CA -0.471 51.696 52.037 0.216 0.000 0.925 217 A CB 0.155 19.332 19.000 0.294 0.000 1.152 217 A HN 0.856 nan 8.150 nan 0.000 0.544 218 N N 1.221 120.083 118.700 0.271 0.000 2.466 218 N HA 0.092 4.830 4.740 -0.003 0.000 0.272 218 N C -0.379 175.244 175.510 0.188 0.000 1.455 218 N CA -0.300 52.857 53.050 0.179 0.000 0.875 218 N CB 0.258 38.816 38.487 0.118 0.000 1.372 218 N HN 0.855 nan 8.380 nan 0.000 0.492 219 H N -1.553 117.492 119.070 -0.042 0.000 2.812 219 H HA 0.824 5.379 4.556 -0.002 0.000 0.355 219 H C 0.408 175.519 175.328 -0.362 0.000 1.207 219 H CA -0.211 55.775 56.048 -0.103 0.000 1.217 219 H CB 0.955 30.700 29.762 -0.028 0.000 1.874 219 H HN 0.123 nan 8.280 nan 0.000 0.581 220 G N 0.172 108.743 108.800 -0.382 0.000 2.699 220 G HA2 -0.081 3.878 3.960 -0.003 0.000 0.686 220 G HA3 -0.081 3.878 3.960 -0.003 0.000 0.686 220 G C -1.395 173.161 174.900 -0.574 0.000 1.301 220 G CA -0.579 44.106 45.100 -0.691 0.000 0.816 220 G HN 0.834 nan 8.290 nan 0.000 0.595 221 Q N -0.620 118.764 119.800 -0.694 0.000 2.377 221 Q HA 0.585 4.923 4.340 -0.003 0.000 0.271 221 Q C 1.267 177.046 176.000 -0.367 0.000 1.077 221 Q CA -1.114 54.247 55.803 -0.736 0.000 0.820 221 Q CB 2.039 29.923 28.738 -1.423 0.000 1.347 221 Q HN 0.607 nan 8.270 nan 0.000 0.444 222 R N 1.226 121.564 120.500 -0.271 0.000 2.113 222 R HA -0.220 4.119 4.340 -0.003 0.000 0.244 222 R C 0.850 177.101 176.300 -0.083 0.000 1.142 222 R CA 2.346 58.359 56.100 -0.145 0.000 0.953 222 R CB -0.219 29.932 30.300 -0.247 0.000 0.860 222 R HN 0.688 nan 8.270 nan 0.000 0.438 223 D N -0.986 119.303 120.400 -0.184 0.000 2.190 223 D HA -0.204 4.434 4.640 -0.003 0.000 0.200 223 D C 1.315 177.708 176.300 0.155 0.000 0.992 223 D CA 1.049 55.019 54.000 -0.050 0.000 0.854 223 D CB -0.248 40.512 40.800 -0.067 0.000 0.936 223 D HN 0.408 nan 8.370 nan 0.000 0.462 224 W N 0.481 121.849 121.300 0.114 0.000 2.905 224 W HA 0.212 4.872 4.660 0.000 0.000 0.251 224 W C 0.537 177.099 176.519 0.071 0.000 1.305 224 W CA -0.874 56.547 57.345 0.127 0.000 1.465 224 W CB -1.118 28.474 29.460 0.221 0.000 1.122 224 W HN -0.053 nan 8.180 nan 0.000 0.659 225 L N 2.117 123.469 121.223 0.214 0.000 2.559 225 L HA 0.099 4.437 4.340 -0.003 0.000 0.274 225 L C 0.031 176.848 176.870 -0.088 0.000 1.205 225 L CA 1.418 56.173 54.840 -0.142 0.000 0.907 225 L CB 0.291 42.282 42.059 -0.113 0.000 1.153 225 L HN -0.256 nan 8.230 nan 0.000 0.490 226 T N 6.924 121.381 114.554 -0.163 0.000 2.879 226 T HA 0.617 4.965 4.350 -0.003 0.000 0.290 226 T C -0.435 174.184 174.700 -0.134 0.000 0.993 226 T CA -0.250 61.786 62.100 -0.107 0.000 0.975 226 T CB 0.873 69.704 68.868 -0.062 0.000 0.981 226 T HN 0.435 nan 8.240 nan 0.000 0.439 227 I N 2.119 122.613 120.570 -0.126 0.000 2.499 227 I HA 0.514 4.682 4.170 -0.003 0.000 0.288 227 I C 0.599 176.625 176.117 -0.152 0.000 1.048 227 I CA -0.947 60.280 61.300 -0.123 0.000 1.062 227 I CB 1.735 39.670 38.000 -0.109 0.000 1.238 227 I HN 0.896 nan 8.210 nan 0.000 0.426 228 A N 4.586 127.299 122.820 -0.179 0.000 2.783 228 A HA -0.107 4.211 4.320 -0.003 0.000 0.292 228 A C 1.434 178.928 177.584 -0.151 0.000 1.495 228 A CA 1.114 53.026 52.037 -0.208 0.000 0.787 228 A CB -1.934 16.922 19.000 -0.241 0.000 1.017 228 A HN 1.964 nan 8.150 nan 0.000 0.516 229 G N -3.771 104.955 108.800 -0.123 0.000 2.184 229 G HA2 -0.048 3.910 3.960 -0.003 0.000 0.264 229 G HA3 -0.048 3.910 3.960 -0.003 0.000 0.264 229 G C 0.394 175.201 174.900 -0.155 0.000 0.975 229 G CA 0.650 45.685 45.100 -0.108 0.000 0.642 229 G HN 1.859 nan 8.290 nan 0.000 0.536 230 V N 2.324 122.112 119.914 -0.211 0.000 2.481 230 V HA 0.478 4.596 4.120 -0.003 0.000 0.286 230 V C -1.420 174.526 176.094 -0.247 0.000 1.042 230 V CA -1.289 60.792 62.300 -0.365 0.000 0.928 230 V CB 1.780 33.355 31.823 -0.414 0.000 0.986 230 V HN 0.150 nan 8.190 nan 0.000 0.462 231 P HA 0.113 nan 4.420 nan 0.000 0.230 231 P C 0.951 178.286 177.300 0.059 0.000 1.791 231 P CA 0.124 63.191 63.100 -0.056 0.000 1.020 231 P CB 0.581 32.268 31.700 -0.022 0.000 1.977 232 V N 2.231 122.163 119.914 0.031 0.000 2.332 232 V HA -0.198 3.921 4.120 -0.003 0.000 0.248 232 V C 2.779 178.974 176.094 0.168 0.000 1.055 232 V CA 2.702 65.068 62.300 0.110 0.000 1.038 232 V CB -1.509 30.328 31.823 0.024 0.000 0.651 232 V HN 0.392 nan 8.190 nan 0.000 0.450 233 G N -0.843 108.026 108.800 0.114 0.000 2.462 233 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.220 233 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.220 233 G C 1.424 176.362 174.900 0.062 0.000 1.121 233 G CA 0.492 45.656 45.100 0.106 0.000 0.758 233 G HN 0.502 nan 8.290 nan 0.000 0.559 234 Q N -0.021 119.793 119.800 0.024 0.000 2.297 234 Q HA -0.014 4.325 4.340 -0.003 0.000 0.204 234 Q C 1.864 177.758 176.000 -0.177 0.000 0.962 234 Q CA 0.812 56.559 55.803 -0.094 0.000 0.879 234 Q CB -0.150 28.493 28.738 -0.157 0.000 0.947 234 Q HN 0.672 nan 8.270 nan 0.000 0.462 235 H N -1.344 117.771 119.070 0.075 0.000 2.553 235 H HA 0.262 4.816 4.556 -0.003 0.000 0.276 235 H C 0.355 175.734 175.328 0.085 0.000 0.979 235 H CA 0.219 56.318 56.048 0.085 0.000 1.268 235 H CB 0.662 30.490 29.762 0.110 0.000 1.450 235 H HN 0.136 nan 8.280 nan 0.000 0.527 236 M N 1.296 121.023 119.600 0.211 0.000 2.325 236 M HA 0.254 4.733 4.480 -0.003 0.000 0.305 236 M C 0.673 177.049 176.300 0.126 0.000 1.047 236 M CA -0.053 55.370 55.300 0.206 0.000 0.981 236 M CB 1.394 34.183 32.600 0.315 0.000 1.307 236 M HN -0.074 nan 8.290 nan 0.000 0.418 237 R N 0.711 121.246 120.500 0.059 0.000 2.312 237 R HA 0.073 4.412 4.340 -0.003 0.000 0.205 237 R C 0.012 176.288 176.300 -0.041 0.000 0.904 237 R CA 0.296 56.389 56.100 -0.011 0.000 1.052 237 R CB 0.334 30.628 30.300 -0.009 0.000 1.014 237 R HN 0.657 nan 8.270 nan 0.000 0.503 238 D N -0.400 119.994 120.400 -0.011 0.000 2.253 238 D HA 0.158 4.796 4.640 -0.003 0.000 0.249 238 D C 0.738 177.004 176.300 -0.056 0.000 1.049 238 D CA -0.057 53.930 54.000 -0.020 0.000 0.929 238 D CB 1.342 42.154 40.800 0.019 0.000 1.176 238 D HN 0.079 nan 8.370 nan 0.000 0.437 239 G N 1.404 110.171 108.800 -0.055 0.000 2.198 239 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.260 239 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.260 239 G C 0.471 175.299 174.900 -0.120 0.000 1.025 239 G CA 0.658 45.721 45.100 -0.063 0.000 0.769 239 G HN 1.058 nan 8.290 nan 0.000 0.507 240 T N -2.149 112.314 114.554 -0.152 0.000 2.900 240 T HA 0.480 4.828 4.350 -0.003 0.000 0.307 240 T C -0.492 174.131 174.700 -0.127 0.000 1.065 240 T CA -0.546 61.441 62.100 -0.188 0.000 1.105 240 T CB 1.691 70.444 68.868 -0.192 0.000 0.979 240 T HN -0.020 nan 8.240 nan 0.000 0.544 241 P HA -0.144 nan 4.420 nan 0.000 0.216 241 P C 1.798 179.053 177.300 -0.075 0.000 1.153 241 P CA 1.108 64.157 63.100 -0.085 0.000 0.858 241 P CB 0.050 31.701 31.700 -0.083 0.000 0.789 242 Q N -0.124 119.621 119.800 -0.092 0.000 2.030 242 Q HA -0.192 4.147 4.340 -0.003 0.000 0.204 242 Q C 2.250 178.212 176.000 -0.063 0.000 0.986 242 Q CA 2.547 58.303 55.803 -0.078 0.000 0.843 242 Q CB -0.508 28.173 28.738 -0.096 0.000 0.904 242 Q HN 0.277 nan 8.270 nan 0.000 0.420 243 S N -0.476 115.183 115.700 -0.068 0.000 2.419 243 S HA -0.200 4.268 4.470 -0.003 0.000 0.233 243 S C 1.601 176.176 174.600 -0.042 0.000 1.016 243 S CA 1.352 59.520 58.200 -0.053 0.000 0.974 243 S CB -0.185 62.981 63.200 -0.056 0.000 0.786 243 S HN 0.444 nan 8.310 nan 0.000 0.492 244 Q N 0.271 120.045 119.800 -0.043 0.000 2.354 244 Q HA 0.355 4.693 4.340 -0.003 0.000 0.203 244 Q C 0.501 176.485 176.000 -0.028 0.000 0.933 244 Q CA 0.281 56.064 55.803 -0.033 0.000 0.901 244 Q CB -0.037 28.681 28.738 -0.033 0.000 1.007 244 Q HN 0.540 nan 8.270 nan 0.000 0.495 251 I N 2.294 122.874 120.570 0.017 0.000 2.610 251 I HA 0.535 4.703 4.170 -0.003 0.000 0.289 251 I C -1.811 174.347 176.117 0.070 0.000 1.163 251 I CA -0.811 60.464 61.300 -0.042 0.000 1.044 251 I CB 0.767 38.540 38.000 -0.378 0.000 1.251 251 I HN 0.550 nan 8.210 nan 0.000 0.424 252 I N 8.004 128.621 120.570 0.079 0.000 2.353 252 I HA 0.404 4.572 4.170 -0.003 0.000 0.293 252 I C -0.305 175.895 176.117 0.138 0.000 0.992 252 I CA -0.663 60.709 61.300 0.121 0.000 1.268 252 I CB 1.553 39.602 38.000 0.082 0.000 1.387 252 I HN 0.233 nan 8.210 nan 0.000 0.478 253 V N 7.210 127.256 119.914 0.220 0.000 2.487 253 V HA 0.423 4.541 4.120 -0.003 0.000 0.298 253 V C -0.094 176.074 176.094 0.122 0.000 1.028 253 V CA -0.705 61.660 62.300 0.109 0.000 0.860 253 V CB 2.392 34.181 31.823 -0.057 0.000 0.991 253 V HN 0.415 nan 8.190 nan 0.000 0.427 254 V N 6.711 126.673 119.914 0.079 0.000 2.384 254 V HA 0.503 4.621 4.120 -0.003 0.000 0.287 254 V C -0.262 175.839 176.094 0.012 0.000 1.020 254 V CA -0.440 61.920 62.300 0.100 0.000 0.850 254 V CB 1.604 33.515 31.823 0.147 0.000 0.987 254 V HN 0.632 nan 8.190 nan 0.000 0.436 255 L N 4.438 125.640 121.223 -0.036 0.000 2.307 255 L HA 0.893 5.232 4.340 -0.003 0.000 0.284 255 L C 0.186 176.823 176.870 -0.388 0.000 1.023 255 L CA -0.369 54.386 54.840 -0.142 0.000 0.810 255 L CB 1.839 43.842 42.059 -0.093 0.000 1.231 255 L HN 0.738 nan 8.230 nan 0.000 0.423 256 A N 1.974 124.503 122.820 -0.485 0.000 2.386 256 A HA 0.846 5.164 4.320 -0.003 0.000 0.311 256 A C -0.626 176.735 177.584 -0.372 0.000 1.068 256 A CA -0.475 51.073 52.037 -0.814 0.000 0.743 256 A CB 2.090 20.608 19.000 -0.805 0.000 1.258 256 A HN 0.557 nan 8.150 nan 0.000 0.429 257 T N -0.352 114.024 114.554 -0.296 0.000 2.868 257 T HA 0.476 4.824 4.350 -0.003 0.000 0.306 257 T C -0.829 173.841 174.700 -0.049 0.000 1.224 257 T CA 0.054 62.078 62.100 -0.128 0.000 1.012 257 T CB 1.386 70.179 68.868 -0.125 0.000 1.221 257 T HN 0.690 nan 8.240 nan 0.000 0.499 258 D N 2.174 122.599 120.400 0.041 0.000 2.349 258 D HA 0.146 4.784 4.640 -0.003 0.000 0.214 258 D C 0.708 177.075 176.300 0.113 0.000 1.063 258 D CA -0.314 53.761 54.000 0.125 0.000 0.847 258 D CB -0.200 40.715 40.800 0.191 0.000 0.933 258 D HN 0.268 nan 8.370 nan 0.000 0.513 259 L N 2.494 123.631 121.223 -0.144 0.000 2.453 259 L HA 0.229 4.568 4.340 -0.003 0.000 0.272 259 L C -2.255 174.397 176.870 -0.364 0.000 1.182 259 L CA -1.631 52.822 54.840 -0.645 0.000 0.858 259 L CB 0.317 41.919 42.059 -0.762 0.000 1.120 259 L HN -0.162 nan 8.230 nan 0.000 0.474 260 P HA 0.132 nan 4.420 nan 0.000 0.271 260 P C -1.199 175.975 177.300 -0.211 0.000 1.380 260 P CA -0.244 62.756 63.100 -0.167 0.000 0.992 260 P CB 0.512 32.152 31.700 -0.099 0.000 1.230 261 L N 4.405 125.536 121.223 -0.154 0.000 2.354 261 L HA 0.535 4.874 4.340 -0.003 0.000 0.269 261 L C 0.540 177.317 176.870 -0.154 0.000 1.005 261 L CA -0.911 53.823 54.840 -0.176 0.000 0.819 261 L CB 1.678 43.640 42.059 -0.161 0.000 1.311 261 L HN 0.286 nan 8.230 nan 0.000 0.423 262 M N 2.732 122.194 119.600 -0.229 0.000 2.494 262 M HA 0.369 4.848 4.480 -0.003 0.000 0.300 262 M C -1.376 174.822 176.300 -0.170 0.000 1.189 262 M CA -2.050 53.103 55.300 -0.245 0.000 0.982 262 M CB 0.853 33.371 32.600 -0.137 0.000 1.534 262 M HN 0.224 nan 8.290 nan 0.000 0.488 263 P HA -0.212 nan 4.420 nan 0.000 0.216 263 P C 1.360 178.688 177.300 0.047 0.000 1.157 263 P CA 1.764 64.900 63.100 0.061 0.000 0.880 263 P CB -0.381 31.382 31.700 0.104 0.000 0.791 264 H N -0.472 118.601 119.070 0.005 0.000 2.421 264 H HA -0.082 4.472 4.556 -0.003 0.000 0.298 264 H C 1.548 176.893 175.328 0.029 0.000 1.087 264 H CA 1.348 57.406 56.048 0.017 0.000 1.330 264 H CB -0.963 28.802 29.762 0.005 0.000 1.388 264 H HN 0.256 nan 8.280 nan 0.000 0.526 265 Q N 0.339 119.820 119.800 -0.532 0.000 2.137 265 Q HA 0.096 4.434 4.340 -0.003 0.000 0.198 265 Q C 2.698 178.643 176.000 -0.090 0.000 0.960 265 Q CA 0.693 56.312 55.803 -0.307 0.000 0.847 265 Q CB 0.295 28.798 28.738 -0.392 0.000 0.915 265 Q HN 0.384 nan 8.270 nan 0.000 0.448 266 L N 0.559 121.745 121.223 -0.062 0.000 2.217 266 L HA -0.149 4.189 4.340 -0.003 0.000 0.211 266 L C 2.126 179.034 176.870 0.063 0.000 1.107 266 L CA 1.015 55.871 54.840 0.026 0.000 0.783 266 L CB -0.134 41.974 42.059 0.081 0.000 0.919 266 L HN 0.094 nan 8.230 nan 0.000 0.442 267 K N -0.149 120.289 120.400 0.064 0.000 2.097 267 K HA -0.140 4.178 4.320 -0.003 0.000 0.206 267 K C 2.220 178.845 176.600 0.040 0.000 1.049 267 K CA 1.113 57.450 56.287 0.083 0.000 0.933 267 K CB -0.068 32.487 32.500 0.090 0.000 0.717 267 K HN 0.301 nan 8.250 nan 0.000 0.442 268 R N 0.502 121.012 120.500 0.018 0.000 2.075 268 R HA -0.108 4.230 4.340 -0.003 0.000 0.232 268 R C 2.328 178.581 176.300 -0.078 0.000 1.126 268 R CA 0.879 56.956 56.100 -0.039 0.000 0.963 268 R CB -0.409 29.899 30.300 0.013 0.000 0.858 268 R HN 0.086 nan 8.270 nan 0.000 0.435 269 L N 0.972 122.214 121.223 0.032 0.000 2.017 269 L HA -0.091 4.248 4.340 -0.003 0.000 0.208 269 L C 2.283 179.156 176.870 0.005 0.000 1.073 269 L CA 1.924 56.797 54.840 0.055 0.000 0.745 269 L CB -0.646 41.465 42.059 0.086 0.000 0.894 269 L HN 0.135 nan 8.230 nan 0.000 0.432 270 A N -0.747 122.106 122.820 0.055 0.000 1.972 270 A HA -0.242 4.076 4.320 -0.003 0.000 0.219 270 A C 2.506 180.179 177.584 0.148 0.000 1.169 270 A CA 1.692 53.806 52.037 0.130 0.000 0.635 270 A CB -0.640 18.496 19.000 0.227 0.000 0.810 270 A HN 0.478 nan 8.150 nan 0.000 0.446 271 R N -0.793 119.709 120.500 0.003 0.000 2.152 271 R HA -0.094 4.245 4.340 -0.003 0.000 0.232 271 R C 1.877 178.093 176.300 -0.139 0.000 1.117 271 R CA 0.871 56.852 56.100 -0.197 0.000 0.981 271 R CB -0.093 29.973 30.300 -0.390 0.000 0.870 271 R HN 0.289 nan 8.270 nan 0.000 0.451 272 R N -0.243 120.152 120.500 -0.175 0.000 2.237 272 R HA -0.023 4.316 4.340 -0.003 0.000 0.219 272 R C 1.774 177.946 176.300 -0.213 0.000 1.080 272 R CA 0.976 56.954 56.100 -0.203 0.000 0.995 272 R CB -0.512 29.660 30.300 -0.213 0.000 0.875 272 R HN 0.230 nan 8.270 nan 0.000 0.462 273 A N 0.464 123.106 122.820 -0.297 0.000 2.121 273 A HA -0.060 4.259 4.320 -0.003 0.000 0.218 273 A C 2.160 179.327 177.584 -0.696 0.000 1.154 273 A CA 1.138 52.794 52.037 -0.635 0.000 0.679 273 A CB -0.222 18.100 19.000 -1.130 0.000 0.795 273 A HN 0.207 nan 8.150 nan 0.000 0.458 274 S N 0.083 115.609 115.700 -0.290 0.000 2.368 274 S HA -0.115 4.353 4.470 -0.003 0.000 0.225 274 S C 1.752 176.188 174.600 -0.273 0.000 1.030 274 S CA 1.487 59.527 58.200 -0.266 0.000 0.999 274 S CB -0.415 62.736 63.200 -0.082 0.000 0.844 274 S HN 0.606 nan 8.310 nan 0.000 0.459 275 I N 1.492 121.955 120.570 -0.179 0.000 2.315 275 I HA -0.098 4.070 4.170 -0.003 0.000 0.248 275 I C 2.700 178.748 176.117 -0.116 0.000 1.117 275 I CA 0.966 62.195 61.300 -0.119 0.000 1.404 275 I CB -0.885 37.063 38.000 -0.086 0.000 1.071 275 I HN 0.367 nan 8.210 nan 0.000 0.419 276 G N 2.158 110.860 108.800 -0.163 0.000 2.440 276 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.218 276 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.218 276 G C 1.657 176.498 174.900 -0.098 0.000 1.154 276 G CA 1.205 46.222 45.100 -0.137 0.000 0.767 276 G HN 0.602 nan 8.290 nan 0.000 0.552 277 I N -1.516 118.962 120.570 -0.154 0.000 2.617 277 I HA 0.229 4.398 4.170 -0.003 0.000 0.256 277 I C 2.487 178.649 176.117 0.075 0.000 1.167 277 I CA 1.104 62.397 61.300 -0.013 0.000 1.469 277 I CB -0.454 37.515 38.000 -0.051 0.000 1.098 277 I HN 0.037 nan 8.210 nan 0.000 0.436 278 G N 1.280 110.071 108.800 -0.016 0.000 2.471 278 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.219 278 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.219 278 G C 1.688 176.613 174.900 0.043 0.000 1.125 278 G CA 0.027 45.137 45.100 0.017 0.000 0.775 278 G HN 0.227 nan 8.290 nan 0.000 0.548 279 R N 0.620 121.141 120.500 0.035 0.000 2.127 279 R HA -0.020 4.319 4.340 -0.003 0.000 0.238 279 R C 1.189 177.511 176.300 0.036 0.000 1.134 279 R CA 0.771 56.890 56.100 0.031 0.000 0.975 279 R CB -0.304 30.018 30.300 0.036 0.000 0.865 279 R HN 0.316 nan 8.270 nan 0.000 0.447 280 N N -0.737 118.010 118.700 0.079 0.000 2.268 280 N HA 0.062 4.801 4.740 -0.003 0.000 0.204 280 N C 0.864 176.361 175.510 -0.022 0.000 1.124 280 N CA 0.819 53.858 53.050 -0.018 0.000 0.838 280 N CB 1.405 39.863 38.487 -0.049 0.000 0.994 280 N HN 0.410 nan 8.380 nan 0.000 0.489 281 G N 0.000 108.876 108.800 0.126 0.000 2.316 281 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.203 281 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.203 281 G C 0.402 175.435 174.900 0.221 0.000 0.999 281 G CA 0.093 45.294 45.100 0.168 0.000 0.649 281 G HN 0.374 nan 8.290 nan 0.000 0.489 282 T N 2.668 117.453 114.554 0.385 0.000 2.932 282 T HA 0.480 4.828 4.350 -0.003 0.000 0.312 282 T C -0.559 174.065 174.700 -0.126 0.000 1.071 282 T CA 0.039 62.231 62.100 0.154 0.000 1.128 282 T CB 1.310 70.382 68.868 0.341 0.000 0.984 282 T HN 0.128 nan 8.240 nan 0.000 0.549 283 P HA 0.288 nan 4.420 nan 0.000 0.267 283 P C 0.216 177.499 177.300 -0.027 0.000 1.289 283 P CA 0.122 63.075 63.100 -0.243 0.000 0.866 283 P CB -0.076 31.372 31.700 -0.421 0.000 1.309 284 G N 0.211 109.029 108.800 0.030 0.000 2.929 284 G HA2 0.075 4.034 3.960 -0.003 0.000 0.335 284 G HA3 0.075 4.034 3.960 -0.003 0.000 0.335 284 G C 0.219 175.211 174.900 0.153 0.000 1.054 284 G CA -0.688 44.573 45.100 0.268 0.000 1.067 284 G HN 0.476 nan 8.290 nan 0.000 0.472 285 G N 0.842 109.761 108.800 0.199 0.000 2.544 285 G HA2 0.408 4.366 3.960 -0.003 0.000 0.242 285 G HA3 0.408 4.366 3.960 -0.003 0.000 0.242 285 G C 1.004 175.980 174.900 0.126 0.000 1.247 285 G CA 0.467 45.696 45.100 0.215 0.000 0.840 285 G HN 0.990 nan 8.290 nan 0.000 0.578 286 N N 0.783 119.538 118.700 0.092 0.000 2.120 286 N HA -0.143 4.595 4.740 -0.003 0.000 0.188 286 N C 1.650 177.174 175.510 0.024 0.000 1.024 286 N CA 1.541 54.612 53.050 0.035 0.000 0.852 286 N CB 0.010 38.512 38.487 0.024 0.000 1.003 286 N HN 0.399 nan 8.380 nan 0.000 0.424 287 N N -0.517 118.205 118.700 0.038 0.000 2.461 287 N HA 0.012 4.751 4.740 -0.003 0.000 0.188 287 N C -0.656 174.866 175.510 0.021 0.000 1.134 287 N CA 0.173 53.227 53.050 0.007 0.000 0.878 287 N CB 0.030 38.511 38.487 -0.010 0.000 0.972 287 N HN 0.082 nan 8.380 nan 0.000 0.456 288 S N -0.080 115.658 115.700 0.063 0.000 2.430 288 S HA 0.451 4.919 4.470 -0.003 0.000 0.289 288 S C 0.436 175.069 174.600 0.054 0.000 1.143 288 S CA -0.853 57.399 58.200 0.087 0.000 1.067 288 S CB 0.254 63.551 63.200 0.162 0.000 0.964 288 S HN 0.285 nan 8.310 nan 0.000 0.485 289 G N 3.743 112.562 108.800 0.031 0.000 2.519 289 G HA2 0.305 4.264 3.960 -0.003 0.000 0.306 289 G HA3 0.305 4.264 3.960 -0.003 0.000 0.306 289 G C -0.838 174.055 174.900 -0.012 0.000 0.965 289 G CA -0.505 44.591 45.100 -0.006 0.000 1.291 289 G HN 0.676 nan 8.290 nan 0.000 0.450 290 D N 2.571 122.944 120.400 -0.045 0.000 2.477 290 D HA 0.352 4.990 4.640 -0.003 0.000 0.239 290 D C 0.062 176.069 176.300 -0.489 0.000 1.102 290 D CA 0.086 54.031 54.000 -0.091 0.000 0.901 290 D CB 1.378 42.250 40.800 0.119 0.000 1.026 290 D HN 0.275 nan 8.370 nan 0.000 0.515 291 I N 2.144 122.476 120.570 -0.397 0.000 2.466 291 I HA 0.387 4.556 4.170 -0.003 0.000 0.289 291 I C -0.905 175.113 176.117 -0.164 0.000 1.026 291 I CA -0.925 60.113 61.300 -0.437 0.000 1.078 291 I CB 1.343 39.232 38.000 -0.185 0.000 1.249 291 I HN -0.045 nan 8.210 nan 0.000 0.429 292 F N 6.457 126.433 119.950 0.043 0.000 2.508 292 F HA 0.642 5.167 4.527 -0.003 0.000 0.325 292 F C -0.142 175.702 175.800 0.073 0.000 1.090 292 F CA -1.408 56.627 58.000 0.059 0.000 0.945 292 F CB 1.660 40.714 39.000 0.090 0.000 1.156 292 F HN 0.226 nan 8.300 nan 0.000 0.463 293 I N 1.911 122.635 120.570 0.256 0.000 2.582 293 I HA 0.831 4.999 4.170 -0.003 0.000 0.292 293 I C -1.399 174.849 176.117 0.219 0.000 1.066 293 I CA -0.633 60.792 61.300 0.209 0.000 1.053 293 I CB 1.596 39.681 38.000 0.142 0.000 1.241 293 I HN 0.716 nan 8.210 nan 0.000 0.421 294 A N 7.062 130.016 122.820 0.223 0.000 2.355 294 A HA 0.826 5.144 4.320 -0.003 0.000 0.317 294 A C -1.222 176.531 177.584 0.281 0.000 1.094 294 A CA -0.420 51.706 52.037 0.147 0.000 0.764 294 A CB 0.906 19.957 19.000 0.085 0.000 1.230 294 A HN 0.686 nan 8.150 nan 0.000 0.448 295 F N 0.476 120.521 119.950 0.158 0.000 2.613 295 F HA 0.860 5.385 4.527 -0.003 0.000 0.314 295 F C -0.188 175.661 175.800 0.082 0.000 1.075 295 F CA -0.962 57.137 58.000 0.166 0.000 0.945 295 F CB 1.527 40.677 39.000 0.251 0.000 1.310 295 F HN 0.484 nan 8.300 nan 0.000 0.467 296 S N -0.099 115.782 115.700 0.302 0.000 2.532 296 S HA 0.478 4.946 4.470 -0.003 0.000 0.301 296 S C -0.034 174.718 174.600 0.252 0.000 1.083 296 S CA -0.327 57.972 58.200 0.165 0.000 1.025 296 S CB 1.712 64.979 63.200 0.113 0.000 1.056 296 S HN 0.835 nan 8.310 nan 0.000 0.494 297 T N 2.830 117.485 114.554 0.168 0.000 3.122 297 T HA 0.443 4.792 4.350 -0.003 0.000 0.250 297 T C 0.598 175.437 174.700 0.231 0.000 1.067 297 T CA 0.345 62.531 62.100 0.143 0.000 0.966 297 T CB -0.371 68.514 68.868 0.028 0.000 1.002 297 T HN 0.744 nan 8.240 nan 0.000 0.542 298 A N 1.113 124.043 122.820 0.182 0.000 2.259 298 A HA 0.544 4.862 4.320 -0.003 0.000 0.278 298 A C 0.597 178.284 177.584 0.172 0.000 1.107 298 A CA -0.461 51.675 52.037 0.164 0.000 0.828 298 A CB -0.145 18.922 19.000 0.112 0.000 1.111 298 A HN 0.564 nan 8.150 nan 0.000 0.498 299 N N -0.721 118.060 118.700 0.135 0.000 2.738 299 N HA -0.155 4.584 4.740 -0.003 0.000 0.249 299 N C -0.665 174.893 175.510 0.080 0.000 1.047 299 N CA 0.754 53.888 53.050 0.139 0.000 0.707 299 N CB -1.178 37.459 38.487 0.250 0.000 0.937 299 N HN 0.746 nan 8.380 nan 0.000 0.545 300 Q N 0.583 120.387 119.800 0.006 0.000 2.349 300 Q HA 0.176 4.514 4.340 -0.003 0.000 0.287 300 Q C 0.649 176.584 176.000 -0.108 0.000 1.044 300 Q CA 0.516 56.246 55.803 -0.120 0.000 0.918 300 Q CB 0.593 29.208 28.738 -0.204 0.000 1.242 300 Q HN 0.484 nan 8.270 nan 0.000 0.405 301 R N 0.844 121.240 120.500 -0.173 0.000 2.752 301 R HA 0.647 4.986 4.340 -0.003 0.000 0.271 301 R C -3.038 173.143 176.300 -0.198 0.000 1.026 301 R CA -1.985 54.025 56.100 -0.150 0.000 0.901 301 R CB 0.289 30.512 30.300 -0.128 0.000 1.243 301 R HN 0.271 nan 8.270 nan 0.000 0.463 302 P HA 0.212 nan 4.420 nan 0.000 0.276 302 P C -0.422 176.748 177.300 -0.217 0.000 1.261 302 P CA -0.626 62.356 63.100 -0.197 0.000 0.800 302 P CB 0.532 32.123 31.700 -0.181 0.000 1.066 303 M N 0.449 119.927 119.600 -0.204 0.000 2.207 303 M HA 0.004 4.482 4.480 -0.003 0.000 0.311 303 M C 1.968 178.222 176.300 -0.076 0.000 1.127 303 M CA 0.404 55.628 55.300 -0.128 0.000 1.181 303 M CB 0.013 32.618 32.600 0.009 0.000 1.409 303 M HN 0.465 nan 8.290 nan 0.000 0.461 304 Q N 0.955 120.773 119.800 0.030 0.000 2.077 304 Q HA -0.257 4.081 4.340 -0.003 0.000 0.206 304 Q C 1.644 177.682 176.000 0.062 0.000 0.989 304 Q CA 2.564 58.411 55.803 0.073 0.000 0.853 304 Q CB -0.205 28.638 28.738 0.175 0.000 0.907 304 Q HN 0.883 nan 8.270 nan 0.000 0.418 305 H N -2.176 116.847 119.070 -0.079 0.000 2.559 305 H HA 0.103 4.658 4.556 -0.003 0.000 0.273 305 H C 1.081 176.359 175.328 -0.084 0.000 1.000 305 H CA 0.595 56.595 56.048 -0.080 0.000 1.195 305 H CB 0.166 29.863 29.762 -0.109 0.000 1.368 305 H HN 0.116 nan 8.280 nan 0.000 0.592 306 R N 0.425 120.626 120.500 -0.499 0.000 2.508 306 R HA 0.279 4.618 4.340 -0.003 0.000 0.300 306 R C -0.353 175.816 176.300 -0.218 0.000 0.970 306 R CA -0.153 55.701 56.100 -0.410 0.000 1.102 306 R CB 1.124 31.119 30.300 -0.508 0.000 1.246 306 R HN 0.088 nan 8.270 nan 0.000 0.539 307 S N 0.970 116.578 115.700 -0.153 0.000 2.616 307 S HA 0.520 4.988 4.470 -0.003 0.000 0.277 307 S C 0.274 174.830 174.600 -0.073 0.000 1.234 307 S CA -0.700 57.439 58.200 -0.101 0.000 1.028 307 S CB 1.642 64.797 63.200 -0.076 0.000 0.988 307 S HN 0.352 nan 8.310 nan 0.000 0.522 308 A N 3.209 125.999 122.820 -0.051 0.000 2.366 308 A HA 0.375 4.693 4.320 -0.003 0.000 0.250 308 A C -1.031 176.514 177.584 -0.065 0.000 1.099 308 A CA -0.913 51.106 52.037 -0.030 0.000 0.794 308 A CB -0.577 18.433 19.000 0.015 0.000 1.056 308 A HN 0.642 nan 8.150 nan 0.000 0.499 309 P HA 0.027 nan 4.420 nan 0.000 0.221 309 P C -0.300 176.667 177.300 -0.556 0.000 1.150 309 P CA 1.121 64.013 63.100 -0.347 0.000 0.800 309 P CB 0.025 31.458 31.700 -0.444 0.000 0.787 310 F N -0.552 119.407 119.950 0.014 0.000 2.520 310 F HA 0.444 4.970 4.527 -0.003 0.000 0.322 310 F C 0.249 176.056 175.800 0.012 0.000 1.103 310 F CA -1.052 56.958 58.000 0.016 0.000 0.926 310 F CB 1.465 40.473 39.000 0.012 0.000 1.154 310 F HN -0.374 nan 8.300 nan 0.000 0.453 311 L N 2.760 124.096 121.223 0.189 0.000 2.342 311 L HA 0.514 4.853 4.340 -0.003 0.000 0.271 311 L C -0.836 176.097 176.870 0.105 0.000 1.008 311 L CA -0.704 54.205 54.840 0.114 0.000 0.818 311 L CB 1.645 43.755 42.059 0.085 0.000 1.296 311 L HN 0.445 nan 8.230 nan 0.000 0.427 312 D N 1.760 122.204 120.400 0.073 0.000 2.233 312 D HA 0.513 5.152 4.640 -0.003 0.000 0.240 312 D C -0.779 175.549 176.300 0.047 0.000 1.074 312 D CA -0.079 53.953 54.000 0.054 0.000 0.838 312 D CB 2.578 43.401 40.800 0.038 0.000 1.124 312 D HN 0.058 nan 8.370 nan 0.000 0.475 313 V N 1.737 121.674 119.914 0.038 0.000 2.914 313 V HA 0.289 4.407 4.120 -0.003 0.000 0.314 313 V C -0.121 175.983 176.094 0.017 0.000 1.084 313 V CA -0.819 61.499 62.300 0.029 0.000 0.963 313 V CB 2.738 34.562 31.823 0.002 0.000 1.025 313 V HN 0.450 nan 8.190 nan 0.000 0.432 314 E N 2.869 123.080 120.200 0.017 0.000 2.191 314 E HA 0.700 5.049 4.350 -0.003 0.000 0.274 314 E C -1.078 175.511 176.600 -0.019 0.000 0.948 314 E CA -0.596 55.811 56.400 0.013 0.000 0.802 314 E CB 1.727 31.446 29.700 0.032 0.000 1.137 314 E HN 0.653 nan 8.360 nan 0.000 0.397 315 M N 4.176 123.762 119.600 -0.024 0.000 2.433 315 M HA 0.323 4.801 4.480 -0.003 0.000 0.290 315 M C -1.590 174.681 176.300 -0.048 0.000 1.173 315 M CA -0.859 54.407 55.300 -0.058 0.000 0.905 315 M CB 1.950 34.531 32.600 -0.032 0.000 1.692 315 M HN 0.405 nan 8.290 nan 0.000 0.462 316 V N 3.701 123.546 119.914 -0.116 0.000 2.881 316 V HA 0.166 4.285 4.120 -0.003 0.000 0.303 316 V C 0.297 176.410 176.094 0.033 0.000 1.070 316 V CA -0.184 62.074 62.300 -0.069 0.000 1.074 316 V CB 1.490 33.084 31.823 -0.382 0.000 1.012 316 V HN 0.941 nan 8.190 nan 0.000 0.482 317 N N 2.542 121.328 118.700 0.143 0.000 2.503 317 N HA 0.048 4.786 4.740 -0.003 0.000 0.267 317 N C 0.161 175.746 175.510 0.125 0.000 1.214 317 N CA -0.623 52.494 53.050 0.111 0.000 0.959 317 N CB 0.785 39.328 38.487 0.093 0.000 1.142 317 N HN 0.647 nan 8.380 nan 0.000 0.455 318 D N 1.690 122.135 120.400 0.075 0.000 2.323 318 D HA -0.115 4.524 4.640 -0.003 0.000 0.209 318 D C 1.162 177.489 176.300 0.046 0.000 0.973 318 D CA 0.598 54.631 54.000 0.055 0.000 0.874 318 D CB 0.192 41.028 40.800 0.060 0.000 0.930 318 D HN 0.699 nan 8.370 nan 0.000 0.521 319 E N 1.181 121.402 120.200 0.035 0.000 2.065 319 E HA -0.176 4.173 4.350 -0.003 0.000 0.201 319 E C -0.900 175.683 176.600 -0.029 0.000 1.016 319 E CA 1.491 57.891 56.400 0.000 0.000 0.818 319 E CB -0.382 29.306 29.700 -0.020 0.000 0.749 319 E HN 0.197 nan 8.360 nan 0.000 0.453 320 P HA 0.053 nan 4.420 nan 0.000 0.253 320 P C 0.479 177.788 177.300 0.015 0.000 1.260 320 P CA 0.365 63.381 63.100 -0.139 0.000 0.800 320 P CB 0.104 31.475 31.700 -0.549 0.000 1.162 321 L N -0.484 120.737 121.223 -0.004 0.000 2.465 321 L HA -0.100 4.238 4.340 -0.003 0.000 0.224 321 L C 1.482 178.113 176.870 -0.399 0.000 1.145 321 L CA 0.824 55.520 54.840 -0.241 0.000 0.834 321 L CB -0.611 41.090 42.059 -0.596 0.000 0.944 321 L HN -0.050 nan 8.230 nan 0.000 0.451 322 D N -0.380 119.924 120.400 -0.160 0.000 2.182 322 D HA -0.172 4.466 4.640 -0.003 0.000 0.201 322 D C 2.240 178.540 176.300 0.000 0.000 0.986 322 D CA 1.908 55.893 54.000 -0.025 0.000 0.847 322 D CB -0.194 40.633 40.800 0.045 0.000 0.942 322 D HN 0.383 nan 8.370 nan 0.000 0.467 323 T N -1.819 112.728 114.554 -0.011 0.000 2.995 323 T HA -0.035 4.314 4.350 -0.003 0.000 0.269 323 T C 2.117 176.833 174.700 0.026 0.000 1.091 323 T CA 0.455 62.570 62.100 0.025 0.000 1.128 323 T CB -0.429 68.460 68.868 0.034 0.000 0.891 323 T HN -0.020 nan 8.240 nan 0.000 0.492 324 V N 0.259 120.155 119.914 -0.030 0.000 2.379 324 V HA -0.073 4.045 4.120 -0.003 0.000 0.245 324 V C 2.418 178.533 176.094 0.035 0.000 1.044 324 V CA 1.182 63.451 62.300 -0.052 0.000 1.036 324 V CB -0.851 30.862 31.823 -0.183 0.000 0.664 324 V HN 0.366 nan 8.190 nan 0.000 0.453 325 Y N -0.415 119.885 120.300 -0.001 0.000 2.181 325 Y HA -0.171 4.378 4.550 -0.003 0.000 0.288 325 Y C 2.220 178.111 175.900 -0.016 0.000 1.146 325 Y CA 0.938 59.027 58.100 -0.018 0.000 1.164 325 Y CB -0.969 37.485 38.460 -0.011 0.000 0.982 325 Y HN 0.185 nan 8.280 nan 0.000 0.515 326 L N 0.107 121.427 121.223 0.162 0.000 2.083 326 L HA -0.110 4.229 4.340 -0.003 0.000 0.209 326 L C 2.347 179.255 176.870 0.063 0.000 1.083 326 L CA 1.946 56.840 54.840 0.091 0.000 0.752 326 L CB -1.044 41.058 42.059 0.071 0.000 0.899 326 L HN 0.116 nan 8.230 nan 0.000 0.433 327 A N -0.722 122.133 122.820 0.057 0.000 1.930 327 A HA -0.058 4.260 4.320 -0.003 0.000 0.217 327 A C 2.440 180.036 177.584 0.019 0.000 1.175 327 A CA 1.600 53.658 52.037 0.036 0.000 0.627 327 A CB -1.038 17.980 19.000 0.031 0.000 0.815 327 A HN 0.541 nan 8.150 nan 0.000 0.443 328 A N -0.469 122.367 122.820 0.027 0.000 1.877 328 A HA -0.003 4.315 4.320 -0.003 0.000 0.216 328 A C 2.229 179.795 177.584 -0.029 0.000 1.186 328 A CA 1.789 53.824 52.037 -0.003 0.000 0.620 328 A CB -0.969 18.045 19.000 0.023 0.000 0.822 328 A HN 0.378 nan 8.150 nan 0.000 0.443 329 V N 0.704 120.611 119.914 -0.013 0.000 2.295 329 V HA -0.255 3.863 4.120 -0.003 0.000 0.246 329 V C 2.180 178.266 176.094 -0.013 0.000 1.049 329 V CA 2.383 64.663 62.300 -0.033 0.000 1.024 329 V CB -0.844 30.968 31.823 -0.019 0.000 0.648 329 V HN 0.494 nan 8.190 nan 0.000 0.447 330 D N 0.249 120.658 120.400 0.015 0.000 2.144 330 D HA -0.119 4.519 4.640 -0.003 0.000 0.200 330 D C 2.443 178.742 176.300 -0.002 0.000 0.978 330 D CA 1.720 55.746 54.000 0.043 0.000 0.833 330 D CB -0.293 40.545 40.800 0.064 0.000 0.961 330 D HN 0.597 nan 8.370 nan 0.000 0.470 331 S N -0.091 115.590 115.700 -0.033 0.000 2.383 331 S HA -0.095 4.374 4.470 -0.003 0.000 0.227 331 S C 2.193 176.745 174.600 -0.080 0.000 1.026 331 S CA 0.767 58.925 58.200 -0.070 0.000 0.981 331 S CB -0.564 62.602 63.200 -0.057 0.000 0.818 331 S HN 0.078 nan 8.310 nan 0.000 0.472 332 V N 2.325 122.195 119.914 -0.073 0.000 2.358 332 V HA -0.149 3.970 4.120 -0.003 0.000 0.246 332 V C 2.841 178.911 176.094 -0.040 0.000 1.047 332 V CA 2.189 64.439 62.300 -0.082 0.000 1.035 332 V CB -0.882 30.855 31.823 -0.142 0.000 0.658 332 V HN 0.648 nan 8.190 nan 0.000 0.452 333 E N 0.227 120.424 120.200 -0.005 0.000 2.051 333 E HA -0.305 4.044 4.350 -0.003 0.000 0.192 333 E C 2.273 178.897 176.600 0.040 0.000 0.991 333 E CA 1.767 58.211 56.400 0.072 0.000 0.799 333 E CB -0.133 29.655 29.700 0.147 0.000 0.748 333 E HN 0.710 nan 8.360 nan 0.000 0.449 334 E N -0.258 119.857 120.200 -0.143 0.000 2.110 334 E HA -0.206 4.143 4.350 -0.003 0.000 0.193 334 E C 1.900 178.330 176.600 -0.283 0.000 0.988 334 E CA 0.987 57.055 56.400 -0.553 0.000 0.804 334 E CB -0.134 29.017 29.700 -0.914 0.000 0.745 334 E HN 0.357 nan 8.360 nan 0.000 0.458 335 A N 0.338 123.072 122.820 -0.144 0.000 1.902 335 A HA -0.129 4.189 4.320 -0.003 0.000 0.217 335 A C 2.376 179.959 177.584 -0.001 0.000 1.181 335 A CA 1.344 53.341 52.037 -0.066 0.000 0.623 335 A CB -0.603 18.375 19.000 -0.037 0.000 0.818 335 A HN 0.215 nan 8.150 nan 0.000 0.443 336 V N -0.334 119.605 119.914 0.042 0.000 2.261 336 V HA -0.240 3.878 4.120 -0.003 0.000 0.246 336 V C 2.584 178.747 176.094 0.115 0.000 1.047 336 V CA 2.113 64.492 62.300 0.132 0.000 1.015 336 V CB -0.834 31.121 31.823 0.221 0.000 0.642 336 V HN 0.372 nan 8.190 nan 0.000 0.446 337 V N 0.415 120.385 119.914 0.093 0.000 2.407 337 V HA -0.294 3.825 4.120 -0.003 0.000 0.248 337 V C 2.082 178.200 176.094 0.040 0.000 1.055 337 V CA 2.379 64.736 62.300 0.095 0.000 1.049 337 V CB -1.139 30.811 31.823 0.213 0.000 0.662 337 V HN 0.622 nan 8.190 nan 0.000 0.455 338 N N 0.221 118.912 118.700 -0.016 0.000 2.104 338 N HA -0.187 4.551 4.740 -0.003 0.000 0.190 338 N C 1.958 177.473 175.510 0.007 0.000 1.024 338 N CA 1.215 54.248 53.050 -0.028 0.000 0.853 338 N CB -0.278 38.173 38.487 -0.060 0.000 1.008 338 N HN 0.508 nan 8.380 nan 0.000 0.424 339 A N 1.175 124.015 122.820 0.032 0.000 1.877 339 A HA -0.160 4.159 4.320 -0.003 0.000 0.216 339 A C 2.147 179.766 177.584 0.059 0.000 1.186 339 A CA 1.339 53.406 52.037 0.050 0.000 0.620 339 A CB -0.469 18.580 19.000 0.082 0.000 0.822 339 A HN 0.211 nan 8.150 nan 0.000 0.443 340 M N -0.729 118.913 119.600 0.071 0.000 2.175 340 M HA -0.085 4.393 4.480 -0.003 0.000 0.264 340 M C 1.807 178.131 176.300 0.040 0.000 1.063 340 M CA 1.044 56.380 55.300 0.061 0.000 1.119 340 M CB -0.358 32.272 32.600 0.050 0.000 1.377 340 M HN 0.285 nan 8.290 nan 0.000 0.415 341 I N 0.407 120.990 120.570 0.022 0.000 2.315 341 I HA -0.143 4.025 4.170 -0.003 0.000 0.248 341 I C 2.548 178.728 176.117 0.105 0.000 1.117 341 I CA 1.284 62.597 61.300 0.023 0.000 1.404 341 I CB -1.544 36.392 38.000 -0.106 0.000 1.071 341 I HN 0.184 nan 8.210 nan 0.000 0.419 342 A N 0.527 123.380 122.820 0.055 0.000 2.123 342 A HA 0.348 4.666 4.320 -0.003 0.000 0.214 342 A C 1.554 179.159 177.584 0.035 0.000 1.152 342 A CA 0.538 52.601 52.037 0.044 0.000 0.728 342 A CB -0.476 18.529 19.000 0.008 0.000 0.814 342 A HN 0.305 nan 8.150 nan 0.000 0.464 343 A N 0.067 122.913 122.820 0.042 0.000 2.366 343 A HA 0.521 4.839 4.320 -0.003 0.000 0.249 343 A C -0.029 177.569 177.584 0.023 0.000 1.084 343 A CA -0.115 51.940 52.037 0.029 0.000 0.794 343 A CB 0.164 19.192 19.000 0.047 0.000 1.034 343 A HN 0.509 nan 8.150 nan 0.000 0.491 344 E N 0.176 120.382 120.200 0.010 0.000 2.312 344 E HA 0.344 4.692 4.350 -0.003 0.000 0.267 344 E C -1.366 175.240 176.600 0.010 0.000 0.894 344 E CA -0.966 55.434 56.400 0.000 0.000 0.773 344 E CB 1.290 30.984 29.700 -0.010 0.000 1.241 344 E HN 0.649 nan 8.360 nan 0.000 0.432 345 D N 1.590 121.995 120.400 0.009 0.000 2.548 345 D HA 0.050 4.688 4.640 -0.003 0.000 0.231 345 D C -0.504 175.803 176.300 0.012 0.000 1.142 345 D CA 1.035 55.046 54.000 0.019 0.000 0.866 345 D CB 0.377 41.184 40.800 0.012 0.000 1.190 345 D HN 0.249 nan 8.370 nan 0.000 0.469 346 M N 0.948 120.557 119.600 0.016 0.000 2.433 346 M HA 0.499 4.977 4.480 -0.003 0.000 0.290 346 M C -0.038 176.268 176.300 0.010 0.000 1.173 346 M CA 0.014 55.320 55.300 0.009 0.000 0.905 346 M CB 1.902 34.504 32.600 0.004 0.000 1.692 346 M HN 0.596 nan 8.290 nan 0.000 0.462 347 G N 1.860 110.667 108.800 0.012 0.000 2.451 347 G HA2 0.235 4.194 3.960 -0.003 0.000 0.208 347 G HA3 0.235 4.194 3.960 -0.003 0.000 0.208 347 G C 0.383 175.292 174.900 0.015 0.000 1.248 347 G CA 0.124 45.234 45.100 0.016 0.000 0.989 347 G HN 2.101 nan 8.290 nan 0.000 0.559 348 G N -1.948 106.857 108.800 0.008 0.000 2.162 348 G HA2 0.168 4.126 3.960 -0.003 0.000 0.260 348 G HA3 0.168 4.126 3.960 -0.003 0.000 0.260 348 G C 1.184 176.077 174.900 -0.011 0.000 0.976 348 G CA 1.951 47.049 45.100 -0.004 0.000 0.655 348 G HN 2.773 nan 8.290 nan 0.000 0.533 349 T N -2.313 112.243 114.554 0.004 0.000 2.824 349 T HA 0.643 4.992 4.350 -0.003 0.000 0.277 349 T C -0.604 174.029 174.700 -0.111 0.000 0.975 349 T CA -0.728 61.363 62.100 -0.015 0.000 0.966 349 T CB 1.943 70.867 68.868 0.093 0.000 1.054 349 T HN -0.074 nan 8.240 nan 0.000 0.533 350 P HA 0.056 nan 4.420 nan 0.000 0.225 350 P C 0.613 177.599 177.300 -0.524 0.000 1.148 350 P CA 0.831 63.654 63.100 -0.461 0.000 0.779 350 P CB -0.219 31.082 31.700 -0.664 0.000 0.780 351 F N -0.914 119.031 119.950 -0.009 0.000 2.765 351 F HA 0.192 4.719 4.527 -0.001 0.000 0.302 351 F C 0.942 176.734 175.800 -0.013 0.000 1.111 351 F CA -0.238 57.756 58.000 -0.010 0.000 1.359 351 F CB -0.342 38.652 39.000 -0.010 0.000 1.097 351 F HN -0.176 nan 8.300 nan 0.000 0.577 352 D N -0.019 120.434 120.400 0.088 0.000 2.268 352 D HA 0.295 4.933 4.640 -0.003 0.000 0.249 352 D C 1.034 177.346 176.300 0.020 0.000 1.008 352 D CA -0.416 53.616 54.000 0.055 0.000 0.939 352 D CB 1.477 42.299 40.800 0.036 0.000 1.170 352 D HN 0.075 nan 8.370 nan 0.000 0.468 353 R N 0.059 120.567 120.500 0.013 0.000 2.223 353 R HA 0.136 4.474 4.340 -0.003 0.000 0.198 353 R C -0.175 176.121 176.300 -0.007 0.000 0.984 353 R CA 0.301 56.402 56.100 0.001 0.000 1.018 353 R CB 0.258 30.560 30.300 0.003 0.000 0.945 353 R HN 0.236 nan 8.270 nan 0.000 0.479 354 L N -0.672 120.548 121.223 -0.006 0.000 2.303 354 L HA 0.505 4.844 4.340 -0.003 0.000 0.256 354 L C -0.969 175.897 176.870 -0.007 0.000 1.034 354 L CA -1.200 53.633 54.840 -0.012 0.000 0.832 354 L CB 0.821 42.871 42.059 -0.016 0.000 1.403 354 L HN -0.249 nan 8.230 nan 0.000 0.419 355 L N 0.728 121.945 121.223 -0.009 0.000 2.372 355 L HA 0.759 5.097 4.340 -0.003 0.000 0.274 355 L C -1.329 175.541 176.870 0.001 0.000 0.988 355 L CA -0.335 54.504 54.840 -0.001 0.000 0.833 355 L CB 1.720 43.779 42.059 -0.001 0.000 1.236 355 L HN 0.320 nan 8.230 nan 0.000 0.410 356 V N 5.352 125.271 119.914 0.009 0.000 2.370 356 V HA 0.441 4.559 4.120 -0.003 0.000 0.279 356 V C 0.092 176.219 176.094 0.055 0.000 1.029 356 V CA -0.412 61.901 62.300 0.022 0.000 0.870 356 V CB 1.191 33.026 31.823 0.019 0.000 0.984 356 V HN 0.807 nan 8.190 nan 0.000 0.451 357 Q N 2.758 122.614 119.800 0.093 0.000 2.230 357 Q HA 0.702 5.041 4.340 -0.003 0.000 0.248 357 Q C 0.144 176.274 176.000 0.217 0.000 0.915 357 Q CA -0.496 55.386 55.803 0.133 0.000 0.900 357 Q CB 1.779 30.608 28.738 0.152 0.000 1.229 357 Q HN 0.880 nan 8.270 nan 0.000 0.439 358 A N 2.190 125.083 122.820 0.122 0.000 2.386 358 A HA 0.264 4.582 4.320 -0.003 0.000 0.248 358 A C -0.117 177.460 177.584 -0.011 0.000 1.082 358 A CA -0.477 51.608 52.037 0.080 0.000 0.789 358 A CB 0.185 19.195 19.000 0.016 0.000 1.025 358 A HN 0.844 nan 8.150 nan 0.000 0.490 359 I N 0.612 121.006 120.570 -0.293 0.000 2.710 359 I HA 0.009 4.177 4.170 -0.003 0.000 0.286 359 I C 0.132 176.115 176.117 -0.223 0.000 1.181 359 I CA 0.075 60.955 61.300 -0.701 0.000 1.430 359 I CB 0.439 37.829 38.000 -1.017 0.000 1.367 359 I HN 0.781 nan 8.210 nan 0.000 0.577 360 D N 5.398 125.700 120.400 -0.162 0.000 2.312 360 D HA 0.100 4.738 4.640 -0.003 0.000 0.252 360 D C 1.019 177.337 176.300 0.031 0.000 1.150 360 D CA 0.118 54.076 54.000 -0.069 0.000 0.870 360 D CB 0.688 41.471 40.800 -0.028 0.000 1.153 360 D HN 0.560 nan 8.370 nan 0.000 0.457 361 H N 2.105 121.132 119.070 -0.072 0.000 2.353 361 H HA -0.096 4.458 4.556 -0.003 0.000 0.300 361 H C 1.263 176.566 175.328 -0.042 0.000 1.090 361 H CA 0.421 56.434 56.048 -0.058 0.000 1.327 361 H CB 0.504 30.243 29.762 -0.038 0.000 1.383 361 H HN 0.476 nan 8.280 nan 0.000 0.508 362 E N 0.888 121.147 120.200 0.097 0.000 2.072 362 E HA -0.083 4.266 4.350 -0.003 0.000 0.190 362 E C 2.290 178.906 176.600 0.027 0.000 0.982 362 E CA 0.495 56.924 56.400 0.048 0.000 0.803 362 E CB -0.046 29.671 29.700 0.029 0.000 0.755 362 E HN 0.388 nan 8.360 nan 0.000 0.453 363 R N 0.412 120.926 120.500 0.023 0.000 2.081 363 R HA -0.068 4.271 4.340 -0.003 0.000 0.235 363 R C 2.530 178.837 176.300 0.011 0.000 1.131 363 R CA 0.599 56.712 56.100 0.021 0.000 0.960 363 R CB -0.567 29.752 30.300 0.032 0.000 0.856 363 R HN 0.220 nan 8.270 nan 0.000 0.436 364 L N 0.736 121.959 121.223 -0.001 0.000 1.989 364 L HA -0.242 4.096 4.340 -0.003 0.000 0.211 364 L C 2.489 179.346 176.870 -0.021 0.000 1.071 364 L CA 1.654 56.480 54.840 -0.024 0.000 0.749 364 L CB -0.224 41.806 42.059 -0.048 0.000 0.890 364 L HN 0.176 nan 8.230 nan 0.000 0.431 365 R N -0.556 119.937 120.500 -0.012 0.000 2.105 365 R HA -0.185 4.153 4.340 -0.003 0.000 0.239 365 R C 2.292 178.585 176.300 -0.012 0.000 1.135 365 R CA 1.452 57.543 56.100 -0.015 0.000 0.967 365 R CB -0.453 29.844 30.300 -0.006 0.000 0.861 365 R HN 0.504 nan 8.270 nan 0.000 0.442 366 A N 0.410 123.226 122.820 -0.007 0.000 1.902 366 A HA -0.119 4.199 4.320 -0.003 0.000 0.217 366 A C 2.323 179.896 177.584 -0.019 0.000 1.181 366 A CA 1.478 53.508 52.037 -0.011 0.000 0.623 366 A CB -0.505 18.491 19.000 -0.006 0.000 0.818 366 A HN 0.127 nan 8.150 nan 0.000 0.443 367 V N 0.274 120.176 119.914 -0.020 0.000 2.295 367 V HA -0.254 3.864 4.120 -0.003 0.000 0.246 367 V C 2.565 178.691 176.094 0.054 0.000 1.049 367 V CA 1.882 64.165 62.300 -0.029 0.000 1.024 367 V CB -0.889 30.899 31.823 -0.059 0.000 0.648 367 V HN 0.563 nan 8.190 nan 0.000 0.447 368 L N -0.275 120.957 121.223 0.015 0.000 2.042 368 L HA -0.241 4.098 4.340 -0.003 0.000 0.210 368 L C 2.764 179.661 176.870 0.046 0.000 1.076 368 L CA 2.043 56.896 54.840 0.021 0.000 0.749 368 L CB -0.687 41.351 42.059 -0.036 0.000 0.893 368 L HN 0.282 nan 8.230 nan 0.000 0.432 369 R N 0.294 120.801 120.500 0.011 0.000 2.091 369 R HA -0.208 4.130 4.340 -0.003 0.000 0.238 369 R C 2.259 178.550 176.300 -0.014 0.000 1.136 369 R CA 1.640 57.737 56.100 -0.004 0.000 0.959 369 R CB -0.124 30.166 30.300 -0.016 0.000 0.856 369 R HN 0.488 nan 8.270 nan 0.000 0.437 370 Q N -1.184 118.592 119.800 -0.039 0.000 2.291 370 Q HA -0.174 4.164 4.340 -0.003 0.000 0.206 370 Q C 0.619 176.481 176.000 -0.229 0.000 0.976 370 Q CA 1.186 56.898 55.803 -0.151 0.000 0.875 370 Q CB 0.143 28.721 28.738 -0.267 0.000 0.927 370 Q HN 0.509 nan 8.270 nan 0.000 0.450 371 Y N -0.870 119.389 120.300 -0.069 0.000 2.555 371 Y HA 0.275 4.822 4.550 -0.004 0.000 0.259 371 Y C 1.177 177.051 175.900 -0.044 0.000 1.179 371 Y CA 0.117 58.186 58.100 -0.051 0.000 1.230 371 Y CB 1.066 39.493 38.460 -0.055 0.000 1.146 371 Y HN 0.131 nan 8.280 nan 0.000 0.526 372 G N 1.042 109.882 108.800 0.066 0.000 2.198 372 G HA2 -0.348 3.610 3.960 -0.003 0.000 0.257 372 G HA3 -0.348 3.610 3.960 -0.003 0.000 0.257 372 G C 0.824 175.735 174.900 0.017 0.000 1.042 372 G CA 0.288 45.404 45.100 0.027 0.000 0.791 372 G HN 0.354 nan 8.290 nan 0.000 0.502 373 R N -1.418 119.091 120.500 0.015 0.000 2.565 373 R HA 0.433 4.771 4.340 -0.003 0.000 0.347 373 R C 0.382 176.652 176.300 -0.050 0.000 1.010 373 R CA -0.335 55.749 56.100 -0.027 0.000 1.126 373 R CB 0.329 30.604 30.300 -0.042 0.000 1.331 373 R HN 0.350 nan 8.270 nan 0.000 0.552 374 L N 1.090 122.295 121.223 -0.031 0.000 2.255 374 L HA 0.604 4.942 4.340 -0.003 0.000 0.289 374 L C -0.010 176.840 176.870 -0.033 0.000 1.046 374 L CA -0.422 54.395 54.840 -0.038 0.000 0.816 374 L CB 0.781 42.824 42.059 -0.026 0.000 1.197 374 L HN 0.163 nan 8.230 nan 0.000 0.427 375 A N 0.000 122.796 122.820 -0.041 0.000 2.254 375 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 375 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 375 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486