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 2v67_1_A DATA FIRST_RESID 10 DATA SEQUENCE GAGFKAGVKD YRLTYYTPDY VVRDTDILAA FRMTPQPGVP PEECGAAVAA DATA SEQUENCE ESSTGTWTTV WTDGLTSLDR YKGRCYDIEP VPGEDNQYIA YVAYXIDLFE DATA SEQUENCE EGSVTNMFTS IVGNVFGFKA LRALRLEDLR IPPAYVKTFV GXPHGIQVER DATA SEQUENCE DKLNKYGRGL LGCTIKPKLG LSAKNYGRAV YECLRGGLDF TXDDENVNSQ DATA SEQUENCE PFMRWRDRFL FVAEAIYKAQ AETGEVKGHY LNATAGTCEE MMKRAVXAKE DATA SEQUENCE LGVPIIMHDY LTGGFTANTS LAIYCRDNGL LLHIHRAMHA VIDRQRNHGI DATA SEQUENCE HFRVLAKALR MSGGDHLHSG TVVGKLEGER EVILGFVDLM RDDYVEKDRS DATA SEQUENCE RGIYFTQDWX SMPGVMPVAS GGIHVWHMPA LVEIFGDDAC LQFGGGTLGH DATA SEQUENCE PWGNAPGAAA NRVALEACTQ ARNEGRDLAR EGGDVIRSAc KWSPELAAAc DATA SEQUENCE EVWKEIKFEF DTIDKL 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.917 174.900 0.028 0.000 0.946 10 G CA 0.000 45.112 45.100 0.020 0.000 0.502 11 A N -1.464 121.378 122.820 0.037 0.000 2.483 11 A HA 0.925 5.245 4.320 -0.000 0.000 0.286 11 A C 0.482 178.104 177.584 0.063 0.000 1.207 11 A CA 0.182 52.242 52.037 0.038 0.000 0.764 11 A CB 0.975 19.990 19.000 0.025 0.000 1.341 11 A HN 2.168 nan 8.150 nan 0.000 0.428 12 G N -0.562 108.272 108.800 0.057 0.000 2.432 12 G HA2 0.403 4.363 3.960 -0.000 0.000 0.239 12 G HA3 0.403 4.363 3.960 -0.000 0.000 0.239 12 G C -0.095 174.885 174.900 0.134 0.000 1.291 12 G CA -0.104 45.048 45.100 0.087 0.000 0.863 12 G HN 0.933 nan 8.290 nan 0.000 0.560 13 F N 2.280 122.252 119.950 0.037 0.000 2.590 13 F HA 0.213 4.740 4.527 -0.000 0.000 0.389 13 F C 0.651 176.467 175.800 0.027 0.000 1.049 13 F CA -0.121 57.911 58.000 0.053 0.000 1.199 13 F CB 0.587 39.647 39.000 0.101 0.000 1.058 13 F HN 0.270 nan 8.300 nan 0.000 0.556 14 K N 6.594 126.749 120.400 -0.409 0.000 2.483 14 K HA 0.610 4.930 4.320 -0.000 0.000 0.256 14 K C -0.775 175.412 176.600 -0.689 0.000 0.961 14 K CA -0.682 55.285 56.287 -0.534 0.000 0.873 14 K CB 1.075 33.444 32.500 -0.219 0.000 1.107 14 K HN 0.813 nan 8.250 nan 0.000 0.432 15 A N 2.555 124.819 122.820 -0.926 0.000 2.445 15 A HA 0.613 4.933 4.320 -0.000 0.000 0.242 15 A C 0.436 177.885 177.584 -0.225 0.000 1.075 15 A CA 0.849 52.581 52.037 -0.508 0.000 0.777 15 A CB 0.143 18.944 19.000 -0.330 0.000 1.013 15 A HN 0.976 nan 8.150 nan 0.000 0.493 16 G N -0.818 107.902 108.800 -0.133 0.000 2.357 16 G HA2 0.337 4.297 3.960 -0.000 0.000 0.643 16 G HA3 0.337 4.297 3.960 -0.000 0.000 0.643 16 G C -0.960 173.874 174.900 -0.109 0.000 1.358 16 G CA -0.443 44.597 45.100 -0.100 0.000 0.986 16 G HN 1.403 nan 8.290 nan 0.000 0.620 17 V N 1.469 121.345 119.914 -0.063 0.000 2.498 17 V HA 0.631 4.750 4.120 -0.000 0.000 0.279 17 V C 0.700 176.760 176.094 -0.056 0.000 1.048 17 V CA 0.594 62.861 62.300 -0.056 0.000 0.967 17 V CB 1.076 32.935 31.823 0.060 0.000 0.988 17 V HN 1.054 nan 8.190 nan 0.000 0.473 18 K N 1.947 122.293 120.400 -0.090 0.000 2.433 18 K HA 0.622 4.942 4.320 -0.000 0.000 0.252 18 K C -1.360 175.176 176.600 -0.107 0.000 1.015 18 K CA -1.097 55.148 56.287 -0.069 0.000 0.860 18 K CB 1.609 34.081 32.500 -0.047 0.000 1.359 18 K HN 0.322 nan 8.250 nan 0.000 0.452 19 D N 1.005 121.375 120.400 -0.050 0.000 2.455 19 D HA 0.015 4.655 4.640 -0.000 0.000 0.241 19 D C 0.547 176.855 176.300 0.013 0.000 1.138 19 D CA 0.226 54.212 54.000 -0.022 0.000 0.877 19 D CB 0.202 41.021 40.800 0.031 0.000 1.187 19 D HN 0.452 nan 8.370 nan 0.000 0.451 20 Y N 1.437 121.792 120.300 0.090 0.000 2.256 20 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 20 Y C 2.406 178.428 175.900 0.203 0.000 1.155 20 Y CA 1.245 59.436 58.100 0.152 0.000 1.203 20 Y CB -0.256 38.228 38.460 0.039 0.000 0.980 20 Y HN 0.464 nan 8.280 nan 0.000 0.530 21 R N 0.454 121.117 120.500 0.271 0.000 2.193 21 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 21 R C 1.675 178.092 176.300 0.195 0.000 1.110 21 R CA 1.507 57.742 56.100 0.225 0.000 0.988 21 R CB -1.063 29.307 30.300 0.116 0.000 0.871 21 R HN 0.364 nan 8.270 nan 0.000 0.458 22 L N 0.846 122.150 121.223 0.134 0.000 2.191 22 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 22 L C 1.543 178.426 176.870 0.021 0.000 1.103 22 L CA 1.527 56.409 54.840 0.071 0.000 0.769 22 L CB -0.202 41.882 42.059 0.041 0.000 0.908 22 L HN 0.310 nan 8.230 nan 0.000 0.438 23 T N -3.233 111.327 114.554 0.011 0.000 3.026 23 T HA 0.051 4.401 4.350 -0.000 0.000 0.245 23 T C 1.013 175.496 174.700 -0.361 0.000 1.004 23 T CA 0.265 62.221 62.100 -0.240 0.000 1.069 23 T CB 0.134 68.743 68.868 -0.432 0.000 1.005 23 T HN 0.122 nan 8.240 nan 0.000 0.472 24 Y N -0.370 119.973 120.300 0.071 0.000 2.467 24 Y HA 0.415 4.965 4.550 -0.000 0.000 0.250 24 Y C 0.046 175.996 175.900 0.083 0.000 1.155 24 Y CA -1.152 56.972 58.100 0.041 0.000 1.249 24 Y CB 0.459 38.940 38.460 0.035 0.000 1.146 24 Y HN 0.167 nan 8.280 nan 0.000 0.524 25 Y N 2.283 122.633 120.300 0.084 0.000 2.434 25 Y HA 0.402 4.952 4.550 -0.000 0.000 0.341 25 Y C 0.051 175.970 175.900 0.031 0.000 0.965 25 Y CA -1.424 56.704 58.100 0.047 0.000 1.205 25 Y CB 0.648 39.130 38.460 0.037 0.000 1.121 25 Y HN 0.032 nan 8.280 nan 0.000 0.507 26 T N 5.584 119.947 114.554 -0.319 0.000 3.410 26 T HA 0.277 4.627 4.350 -0.000 0.000 0.328 26 T C -2.319 172.226 174.700 -0.258 0.000 1.567 26 T CA -1.803 60.142 62.100 -0.260 0.000 1.626 26 T CB 1.011 69.806 68.868 -0.121 0.000 0.939 26 T HN 0.460 nan 8.240 nan 0.000 0.656 27 P HA 0.042 nan 4.420 nan 0.000 0.230 27 P C 0.242 177.507 177.300 -0.058 0.000 1.158 27 P CA 0.734 63.657 63.100 -0.296 0.000 0.769 27 P CB 0.243 31.715 31.700 -0.380 0.000 0.807 28 D N -1.927 118.447 120.400 -0.044 0.000 2.363 28 D HA 0.007 4.647 4.640 -0.000 0.000 0.214 28 D C 0.364 176.685 176.300 0.034 0.000 1.093 28 D CA -0.329 53.669 54.000 -0.003 0.000 0.837 28 D CB -0.457 40.331 40.800 -0.019 0.000 0.948 28 D HN 0.190 nan 8.370 nan 0.000 0.507 29 Y N 1.811 122.074 120.300 -0.061 0.000 2.526 29 Y HA 0.124 4.674 4.550 -0.000 0.000 0.330 29 Y C -0.167 175.667 175.900 -0.110 0.000 1.156 29 Y CA -0.181 57.871 58.100 -0.079 0.000 1.419 29 Y CB 0.613 39.031 38.460 -0.071 0.000 1.250 29 Y HN -0.333 nan 8.280 nan 0.000 0.540 30 V N 8.616 128.105 119.914 -0.710 0.000 2.364 30 V HA 0.209 4.329 4.120 -0.000 0.000 0.272 30 V C -0.255 175.199 176.094 -1.066 0.000 1.036 30 V CA -0.788 61.123 62.300 -0.649 0.000 0.880 30 V CB 0.757 32.354 31.823 -0.376 0.000 0.991 30 V HN 0.746 nan 8.190 nan 0.000 0.460 31 V N 4.381 123.809 119.914 -0.809 0.000 2.843 31 V HA 0.396 4.516 4.120 -0.000 0.000 0.305 31 V C 0.464 176.327 176.094 -0.385 0.000 1.065 31 V CA -0.487 61.431 62.300 -0.636 0.000 1.116 31 V CB 0.189 31.723 31.823 -0.483 0.000 0.968 31 V HN 0.833 nan 8.190 nan 0.000 0.487 32 R N 2.658 123.025 120.500 -0.222 0.000 2.500 32 R HA 0.313 4.653 4.340 -0.000 0.000 0.275 32 R C 0.243 176.493 176.300 -0.083 0.000 1.051 32 R CA -0.566 55.461 56.100 -0.122 0.000 1.088 32 R CB 0.710 30.985 30.300 -0.041 0.000 1.063 32 R HN 0.772 nan 8.270 nan 0.000 0.511 33 D N 0.479 120.840 120.400 -0.063 0.000 2.371 33 D HA -0.086 4.554 4.640 -0.000 0.000 0.221 33 D C 1.384 177.668 176.300 -0.027 0.000 0.986 33 D CA 1.273 55.246 54.000 -0.045 0.000 0.899 33 D CB 0.172 40.954 40.800 -0.030 0.000 0.902 33 D HN 0.626 nan 8.370 nan 0.000 0.530 34 T N -2.828 111.719 114.554 -0.011 0.000 3.040 34 T HA 0.040 4.390 4.350 -0.000 0.000 0.250 34 T C 0.521 175.230 174.700 0.016 0.000 1.058 34 T CA -0.505 61.603 62.100 0.013 0.000 0.988 34 T CB 0.395 69.283 68.868 0.033 0.000 0.993 34 T HN -0.238 nan 8.240 nan 0.000 0.519 35 D N 1.800 122.206 120.400 0.010 0.000 2.414 35 D HA 0.315 4.955 4.640 -0.000 0.000 0.242 35 D C -0.186 176.106 176.300 -0.013 0.000 1.129 35 D CA -0.392 53.633 54.000 0.042 0.000 0.885 35 D CB 0.692 41.525 40.800 0.055 0.000 1.198 35 D HN 0.187 nan 8.370 nan 0.000 0.437 36 I N 2.254 122.840 120.570 0.027 0.000 2.371 36 I HA 0.119 4.289 4.170 -0.000 0.000 0.290 36 I C 0.147 176.297 176.117 0.055 0.000 1.028 36 I CA -0.084 61.169 61.300 -0.077 0.000 1.345 36 I CB 0.438 38.266 38.000 -0.287 0.000 1.407 36 I HN 0.058 nan 8.210 nan 0.000 0.501 37 L N 6.059 127.184 121.223 -0.165 0.000 2.325 37 L HA 0.883 5.223 4.340 -0.000 0.000 0.278 37 L C -0.026 176.714 176.870 -0.216 0.000 1.023 37 L CA -0.793 53.938 54.840 -0.181 0.000 0.811 37 L CB 1.533 43.272 42.059 -0.534 0.000 1.249 37 L HN 0.661 nan 8.230 nan 0.000 0.431 38 A N 1.895 124.785 122.820 0.116 0.000 2.371 38 A HA 0.866 5.186 4.320 -0.000 0.000 0.311 38 A C -0.721 176.936 177.584 0.121 0.000 1.068 38 A CA -0.541 51.522 52.037 0.044 0.000 0.744 38 A CB 1.723 20.712 19.000 -0.018 0.000 1.239 38 A HN 0.750 nan 8.150 nan 0.000 0.435 39 A N 1.860 124.637 122.820 -0.072 0.000 2.267 39 A HA 0.715 5.035 4.320 -0.000 0.000 0.315 39 A C -1.206 176.041 177.584 -0.562 0.000 1.297 39 A CA -0.269 51.508 52.037 -0.432 0.000 0.865 39 A CB -0.188 18.405 19.000 -0.678 0.000 1.165 39 A HN 0.620 nan 8.150 nan 0.000 0.513 40 F N 1.661 121.417 119.950 -0.323 0.000 2.411 40 F HA 0.433 4.960 4.527 -0.000 0.000 0.352 40 F C 0.968 176.623 175.800 -0.241 0.000 1.123 40 F CA -0.315 57.535 58.000 -0.250 0.000 1.044 40 F CB 1.549 40.412 39.000 -0.228 0.000 1.135 40 F HN 0.605 nan 8.300 nan 0.000 0.461 41 R N 5.398 125.888 120.500 -0.017 0.000 2.242 41 R HA 0.377 4.717 4.340 -0.000 0.000 0.334 41 R C -0.813 175.501 176.300 0.024 0.000 1.071 41 R CA -0.152 55.948 56.100 0.000 0.000 0.922 41 R CB 0.410 30.713 30.300 0.005 0.000 1.023 41 R HN 0.821 nan 8.270 nan 0.000 0.458 42 M N 3.874 123.496 119.600 0.037 0.000 2.243 42 M HA 0.286 4.766 4.480 -0.000 0.000 0.324 42 M C -1.235 175.116 176.300 0.085 0.000 1.031 42 M CA -0.307 55.003 55.300 0.017 0.000 0.949 42 M CB 2.191 34.781 32.600 -0.017 0.000 1.615 42 M HN 0.435 nan 8.290 nan 0.000 0.430 43 T N 6.245 120.834 114.554 0.059 0.000 2.963 43 T HA 0.460 4.810 4.350 -0.000 0.000 0.343 43 T C -2.649 172.092 174.700 0.068 0.000 1.146 43 T CA -1.164 60.986 62.100 0.083 0.000 1.016 43 T CB 0.631 69.538 68.868 0.066 0.000 1.046 43 T HN 0.427 nan 8.240 nan 0.000 0.496 44 P HA 0.158 nan 4.420 nan 0.000 0.272 44 P C 0.130 177.457 177.300 0.045 0.000 1.223 44 P CA -0.617 62.506 63.100 0.039 0.000 0.784 44 P CB 0.586 32.297 31.700 0.018 0.000 0.923 45 Q N 1.879 121.697 119.800 0.030 0.000 2.454 45 Q HA 0.164 4.504 4.340 -0.000 0.000 0.247 45 Q C -1.988 174.030 176.000 0.029 0.000 1.028 45 Q CA -1.360 54.461 55.803 0.030 0.000 0.910 45 Q CB -0.744 28.011 28.738 0.028 0.000 1.276 45 Q HN 0.326 nan 8.270 nan 0.000 0.489 46 P HA -0.041 nan 4.420 nan 0.000 0.262 46 P C 0.502 177.813 177.300 0.019 0.000 1.182 46 P CA 1.116 64.231 63.100 0.025 0.000 0.761 46 P CB 0.209 31.922 31.700 0.021 0.000 0.795 47 G N 1.345 110.154 108.800 0.016 0.000 2.176 47 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.253 47 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.253 47 G C -0.063 174.839 174.900 0.003 0.000 0.979 47 G CA -0.156 44.950 45.100 0.009 0.000 0.641 47 G HN 0.531 nan 8.290 nan 0.000 0.530 48 V N 2.511 122.424 119.914 -0.001 0.000 2.333 48 V HA 0.451 4.571 4.120 -0.000 0.000 0.274 48 V C -1.582 174.477 176.094 -0.057 0.000 1.028 48 V CA -1.603 60.686 62.300 -0.017 0.000 0.851 48 V CB 1.426 33.245 31.823 -0.008 0.000 1.000 48 V HN 0.129 nan 8.190 nan 0.000 0.456 49 P HA 0.170 nan 4.420 nan 0.000 0.269 49 P C -2.083 175.074 177.300 -0.238 0.000 1.209 49 P CA -1.187 61.827 63.100 -0.143 0.000 0.776 49 P CB 0.220 31.843 31.700 -0.129 0.000 0.876 50 P HA -0.181 nan 4.420 nan 0.000 0.216 50 P C 1.057 178.088 177.300 -0.448 0.000 1.150 50 P CA 1.470 64.232 63.100 -0.565 0.000 0.837 50 P CB 0.065 31.138 31.700 -1.046 0.000 0.786 51 E N -0.504 119.411 120.200 -0.475 0.000 2.110 51 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 51 E C 2.010 178.364 176.600 -0.409 0.000 0.988 51 E CA 1.134 57.134 56.400 -0.667 0.000 0.804 51 E CB -0.616 28.584 29.700 -0.834 0.000 0.745 51 E HN 0.261 nan 8.360 nan 0.000 0.458 52 E N -0.089 119.965 120.200 -0.244 0.000 2.107 52 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 52 E C 1.840 178.370 176.600 -0.117 0.000 0.982 52 E CA 0.822 57.163 56.400 -0.098 0.000 0.809 52 E CB -0.493 29.187 29.700 -0.033 0.000 0.756 52 E HN 0.287 nan 8.360 nan 0.000 0.459 53 C N -0.386 118.807 119.300 -0.178 0.000 2.446 53 C HA 0.093 4.553 4.460 -0.000 0.000 0.277 53 C C 2.660 177.479 174.990 -0.283 0.000 1.275 53 C CA 1.326 60.217 59.018 -0.211 0.000 1.727 53 C CB -1.342 26.286 27.740 -0.186 0.000 2.010 53 C HN 0.639 nan 8.230 nan 0.000 0.486 54 G N -0.135 108.510 108.800 -0.258 0.000 2.418 54 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.217 54 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.217 54 G C 1.939 176.715 174.900 -0.207 0.000 1.158 54 G CA 1.036 45.999 45.100 -0.229 0.000 0.771 54 G HN 0.701 nan 8.290 nan 0.000 0.545 55 A N 1.135 123.870 122.820 -0.142 0.000 1.933 55 A HA 0.300 4.620 4.320 -0.000 0.000 0.218 55 A C 2.801 180.191 177.584 -0.323 0.000 1.175 55 A CA 2.135 54.142 52.037 -0.050 0.000 0.628 55 A CB -0.715 18.363 19.000 0.129 0.000 0.814 55 A HN 0.734 nan 8.150 nan 0.000 0.444 56 A N -0.500 121.997 122.820 -0.539 0.000 1.902 56 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 56 A C 2.227 179.209 177.584 -1.003 0.000 1.181 56 A CA 1.794 53.127 52.037 -1.174 0.000 0.623 56 A CB -0.961 17.480 19.000 -0.932 0.000 0.818 56 A HN 0.383 nan 8.150 nan 0.000 0.443 57 V N -0.108 119.360 119.914 -0.743 0.000 2.343 57 V HA -0.264 3.855 4.120 -0.000 0.000 0.247 57 V C 3.063 178.836 176.094 -0.534 0.000 1.051 57 V CA 2.008 63.872 62.300 -0.727 0.000 1.036 57 V CB -1.255 30.080 31.823 -0.813 0.000 0.654 57 V HN 0.626 nan 8.190 nan 0.000 0.451 58 A N -0.093 122.480 122.820 -0.411 0.000 1.877 58 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 58 A C 2.427 179.802 177.584 -0.348 0.000 1.186 58 A CA 2.181 54.058 52.037 -0.266 0.000 0.620 58 A CB -0.816 18.105 19.000 -0.132 0.000 0.822 58 A HN 0.569 nan 8.150 nan 0.000 0.443 59 A N -0.505 121.896 122.820 -0.698 0.000 1.858 59 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 59 A C 1.852 179.110 177.584 -0.544 0.000 1.190 59 A CA 1.560 52.927 52.037 -1.116 0.000 0.617 59 A CB -0.391 17.793 19.000 -1.359 0.000 0.827 59 A HN 0.470 nan 8.150 nan 0.000 0.443 60 E N 0.286 120.180 120.200 -0.511 0.000 2.502 60 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 60 E C 1.292 177.805 176.600 -0.145 0.000 1.062 60 E CA 0.829 57.057 56.400 -0.287 0.000 0.867 60 E CB -0.019 29.423 29.700 -0.431 0.000 0.888 60 E HN 0.706 nan 8.360 nan 0.000 0.510 61 S N -0.906 114.722 115.700 -0.121 0.000 2.568 61 S HA 0.139 4.609 4.470 -0.000 0.000 0.232 61 S C 1.339 176.011 174.600 0.120 0.000 0.975 61 S CA 0.228 58.453 58.200 0.042 0.000 0.949 61 S CB 0.317 63.603 63.200 0.144 0.000 0.829 61 S HN 0.134 nan 8.310 nan 0.000 0.479 62 S N 1.415 117.147 115.700 0.053 0.000 4.207 62 S HA 0.174 4.644 4.470 -0.000 0.000 0.177 62 S C 1.357 175.975 174.600 0.030 0.000 0.981 62 S CA 0.593 58.842 58.200 0.082 0.000 1.097 62 S CB -0.217 63.088 63.200 0.174 0.000 1.525 62 S HN 0.535 nan 8.310 nan 0.000 0.686 63 T N -1.046 113.543 114.554 0.058 0.000 2.969 63 T HA 0.481 4.831 4.350 -0.000 0.000 0.258 63 T C 0.790 175.539 174.700 0.081 0.000 0.962 63 T CA 0.407 62.556 62.100 0.082 0.000 0.903 63 T CB 0.164 69.134 68.868 0.170 0.000 1.177 63 T HN 0.733 nan 8.240 nan 0.000 0.511 64 G N 0.276 109.086 108.800 0.015 0.000 2.434 64 G HA2 0.570 4.529 3.960 -0.000 0.000 0.330 64 G HA3 0.570 4.529 3.960 -0.000 0.000 0.330 64 G C -0.905 174.043 174.900 0.081 0.000 1.155 64 G CA -0.300 44.830 45.100 0.050 0.000 0.917 64 G HN 0.270 nan 8.290 nan 0.000 0.493 65 T N -0.822 113.811 114.554 0.131 0.000 2.693 65 T HA 0.424 4.774 4.350 -0.000 0.000 0.278 65 T C 0.754 175.581 174.700 0.211 0.000 0.994 65 T CA -0.524 61.696 62.100 0.201 0.000 1.033 65 T CB 0.817 69.756 68.868 0.119 0.000 1.342 65 T HN 0.674 nan 8.240 nan 0.000 0.538 66 W N 0.707 122.103 121.300 0.159 0.000 2.595 66 W HA 0.267 4.927 4.660 -0.000 0.000 0.257 66 W C 0.311 176.805 176.519 -0.043 0.000 1.267 66 W CA 0.466 57.860 57.345 0.081 0.000 1.300 66 W CB -1.000 28.529 29.460 0.115 0.000 1.120 66 W HN 0.530 nan 8.180 nan 0.000 0.618 67 T N 0.921 115.017 114.554 -0.762 0.000 2.896 67 T HA 0.329 4.679 4.350 -0.000 0.000 0.297 67 T C -0.453 174.021 174.700 -0.376 0.000 1.108 67 T CA -0.343 61.333 62.100 -0.707 0.000 1.004 67 T CB 1.838 69.917 68.868 -1.316 0.000 1.159 67 T HN -0.212 nan 8.240 nan 0.000 0.499 68 T N 2.716 117.159 114.554 -0.185 0.000 2.888 68 T HA 0.431 4.781 4.350 -0.000 0.000 0.301 68 T C 0.253 175.018 174.700 0.108 0.000 1.001 68 T CA -0.348 61.751 62.100 -0.001 0.000 1.147 68 T CB 0.074 68.983 68.868 0.067 0.000 0.931 68 T HN 0.651 nan 8.240 nan 0.000 0.541 69 V N 3.126 123.062 119.914 0.036 0.000 2.547 69 V HA 0.471 4.591 4.120 -0.000 0.000 0.299 69 V C 1.228 177.175 176.094 -0.245 0.000 1.040 69 V CA -1.173 61.065 62.300 -0.103 0.000 0.913 69 V CB 1.274 32.951 31.823 -0.244 0.000 0.992 69 V HN 1.048 nan 8.190 nan 0.000 0.449 70 W N 2.520 123.365 121.300 -0.758 0.000 2.425 70 W HA -0.103 4.557 4.660 -0.000 0.000 0.277 70 W C 1.439 177.714 176.519 -0.406 0.000 1.231 70 W CA 1.464 58.190 57.345 -1.032 0.000 1.248 70 W CB -1.627 26.916 29.460 -1.527 0.000 1.117 70 W HN 0.748 nan 8.180 nan 0.000 0.568 71 T N -0.982 112.943 114.554 -1.049 0.000 3.007 71 T HA -0.201 4.149 4.350 -0.000 0.000 0.270 71 T C 1.107 175.583 174.700 -0.374 0.000 1.107 71 T CA 1.521 63.052 62.100 -0.949 0.000 1.118 71 T CB -0.606 67.615 68.868 -1.079 0.000 0.889 71 T HN -0.078 nan 8.240 nan 0.000 0.506 72 D N 2.126 122.382 120.400 -0.240 0.000 2.158 72 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 72 D C 2.325 178.606 176.300 -0.033 0.000 0.995 72 D CA 1.476 55.420 54.000 -0.092 0.000 0.846 72 D CB -0.914 39.869 40.800 -0.030 0.000 0.941 72 D HN 0.607 nan 8.370 nan 0.000 0.456 73 G N 0.045 108.844 108.800 -0.002 0.000 2.509 73 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 73 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 73 G C 1.615 176.544 174.900 0.049 0.000 1.124 73 G CA 0.042 45.173 45.100 0.051 0.000 0.776 73 G HN 0.279 nan 8.290 nan 0.000 0.547 74 L N -0.320 120.916 121.223 0.022 0.000 2.418 74 L HA 0.162 4.502 4.340 -0.000 0.000 0.218 74 L C 1.724 178.606 176.870 0.019 0.000 1.125 74 L CA 0.475 55.331 54.840 0.026 0.000 0.835 74 L CB -0.008 42.052 42.059 0.002 0.000 0.953 74 L HN 0.209 nan 8.230 nan 0.000 0.454 75 T N -2.328 112.235 114.554 0.016 0.000 2.718 75 T HA 0.291 4.641 4.350 -0.000 0.000 0.267 75 T C -0.404 174.349 174.700 0.089 0.000 0.957 75 T CA -0.459 61.681 62.100 0.066 0.000 1.025 75 T CB 1.931 70.830 68.868 0.051 0.000 1.355 75 T HN -0.118 nan 8.240 nan 0.000 0.572 76 S N 1.646 117.441 115.700 0.158 0.000 2.577 76 S HA 0.351 4.821 4.470 -0.000 0.000 0.294 76 S C 0.895 175.550 174.600 0.093 0.000 1.161 76 S CA -0.704 57.539 58.200 0.072 0.000 1.143 76 S CB 0.235 63.430 63.200 -0.008 0.000 0.991 76 S HN 0.567 nan 8.310 nan 0.000 0.475 77 L N 4.240 125.496 121.223 0.055 0.000 2.079 77 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 77 L C 1.803 178.651 176.870 -0.037 0.000 1.081 77 L CA 1.920 56.783 54.840 0.037 0.000 0.752 77 L CB -0.496 41.551 42.059 -0.020 0.000 0.896 77 L HN 0.599 nan 8.230 nan 0.000 0.433 78 D N -0.945 119.408 120.400 -0.078 0.000 2.158 78 D HA -0.244 4.396 4.640 -0.000 0.000 0.197 78 D C 2.311 178.522 176.300 -0.149 0.000 0.995 78 D CA 1.119 55.051 54.000 -0.114 0.000 0.846 78 D CB -0.088 40.658 40.800 -0.090 0.000 0.941 78 D HN 0.317 nan 8.370 nan 0.000 0.456 79 R N -0.933 119.436 120.500 -0.218 0.000 2.115 79 R HA -0.111 4.229 4.340 -0.000 0.000 0.226 79 R C 1.385 177.404 176.300 -0.469 0.000 1.100 79 R CA 1.030 56.879 56.100 -0.420 0.000 0.980 79 R CB 0.060 29.946 30.300 -0.689 0.000 0.875 79 R HN 0.231 nan 8.270 nan 0.000 0.445 80 Y N 0.375 120.654 120.300 -0.036 0.000 2.498 80 Y HA 0.150 4.700 4.550 -0.000 0.000 0.259 80 Y C 0.124 176.015 175.900 -0.014 0.000 1.086 80 Y CA -0.287 57.797 58.100 -0.028 0.000 1.287 80 Y CB 0.225 38.667 38.460 -0.029 0.000 1.146 80 Y HN -0.071 nan 8.280 nan 0.000 0.523 81 K N 1.244 121.704 120.400 0.100 0.000 2.436 81 K HA 0.320 4.640 4.320 -0.000 0.000 0.275 81 K C 0.618 177.249 176.600 0.051 0.000 0.999 81 K CA 0.092 56.451 56.287 0.121 0.000 0.980 81 K CB 0.615 33.113 32.500 -0.003 0.000 0.919 81 K HN 0.136 nan 8.250 nan 0.000 0.484 82 G N 2.594 111.457 108.800 0.106 0.000 2.527 82 G HA2 0.198 4.158 3.960 -0.000 0.000 0.248 82 G HA3 0.198 4.158 3.960 -0.000 0.000 0.248 82 G C -0.774 174.095 174.900 -0.052 0.000 1.231 82 G CA -0.866 44.175 45.100 -0.100 0.000 0.838 82 G HN 0.656 nan 8.290 nan 0.000 0.570 83 R N 0.430 120.823 120.500 -0.179 0.000 2.483 83 R HA 0.262 4.602 4.340 -0.000 0.000 0.303 83 R C -1.009 175.311 176.300 0.034 0.000 0.987 83 R CA -0.641 55.395 56.100 -0.106 0.000 0.881 83 R CB 1.732 31.809 30.300 -0.372 0.000 1.177 83 R HN 0.526 nan 8.270 nan 0.000 0.451 84 C N 5.291 124.644 119.300 0.087 0.000 2.520 84 C HA 0.184 4.644 4.460 -0.000 0.000 0.369 84 C C 1.082 176.179 174.990 0.178 0.000 1.244 84 C CA -0.399 58.699 59.018 0.133 0.000 1.677 84 C CB -1.200 26.640 27.740 0.168 0.000 2.324 84 C HN 0.980 nan 8.230 nan 0.000 0.557 85 Y N 2.013 122.395 120.300 0.137 0.000 2.444 85 Y HA 0.526 5.076 4.550 -0.000 0.000 0.249 85 Y C 0.246 176.219 175.900 0.121 0.000 1.134 85 Y CA -0.409 57.748 58.100 0.095 0.000 1.261 85 Y CB 0.007 38.581 38.460 0.190 0.000 1.143 85 Y HN 0.519 nan 8.280 nan 0.000 0.523 86 D N 0.443 120.765 120.400 -0.129 0.000 2.769 86 D HA 0.460 5.100 4.640 -0.000 0.000 0.219 86 D C -1.688 174.721 176.300 0.181 0.000 1.245 86 D CA -0.403 53.609 54.000 0.019 0.000 0.801 86 D CB 1.981 42.691 40.800 -0.150 0.000 1.598 86 D HN 0.166 nan 8.370 nan 0.000 0.485 87 I N 2.171 122.871 120.570 0.216 0.000 2.478 87 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 87 I C -0.373 175.880 176.117 0.226 0.000 1.042 87 I CA -0.613 60.809 61.300 0.204 0.000 1.067 87 I CB 2.008 40.057 38.000 0.083 0.000 1.233 87 I HN 0.139 nan 8.210 nan 0.000 0.431 88 E N 7.655 128.020 120.200 0.276 0.000 2.166 88 E HA 0.396 4.746 4.350 -0.000 0.000 0.275 88 E C -2.443 174.297 176.600 0.234 0.000 0.941 88 E CA -1.878 54.665 56.400 0.238 0.000 0.784 88 E CB 1.720 31.574 29.700 0.257 0.000 1.115 88 E HN 0.259 nan 8.360 nan 0.000 0.399 89 P HA 0.041 nan 4.420 nan 0.000 0.274 89 P C -0.466 176.819 177.300 -0.025 0.000 1.231 89 P CA -0.316 62.811 63.100 0.045 0.000 0.790 89 P CB 0.827 32.551 31.700 0.039 0.000 0.951 90 V N 4.611 124.447 119.914 -0.130 0.000 2.383 90 V HA 0.213 4.333 4.120 -0.000 0.000 0.275 90 V C -1.778 174.275 176.094 -0.069 0.000 1.036 90 V CA -1.794 60.464 62.300 -0.071 0.000 0.889 90 V CB 0.692 32.470 31.823 -0.074 0.000 0.985 90 V HN 0.572 nan 8.190 nan 0.000 0.459 91 P HA 0.211 nan 4.420 nan 0.000 0.267 91 P C 0.870 178.153 177.300 -0.028 0.000 1.209 91 P CA 0.969 64.052 63.100 -0.028 0.000 0.763 91 P CB 0.964 32.654 31.700 -0.017 0.000 0.816 92 G N 1.925 110.707 108.800 -0.030 0.000 2.194 92 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.236 92 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.236 92 G C -0.143 174.737 174.900 -0.033 0.000 0.987 92 G CA -0.305 44.781 45.100 -0.024 0.000 0.635 92 G HN 0.566 nan 8.290 nan 0.000 0.520 93 E N 0.417 120.582 120.200 -0.060 0.000 2.210 93 E HA 0.458 4.808 4.350 -0.000 0.000 0.266 93 E C -0.049 176.481 176.600 -0.117 0.000 0.883 93 E CA -0.437 55.914 56.400 -0.080 0.000 0.761 93 E CB 1.570 31.212 29.700 -0.096 0.000 1.156 93 E HN 0.226 nan 8.360 nan 0.000 0.412 94 D N 0.992 121.340 120.400 -0.087 0.000 2.194 94 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 94 D C 0.821 177.050 176.300 -0.118 0.000 0.964 94 D CA 0.781 54.734 54.000 -0.078 0.000 0.846 94 D CB 0.228 41.010 40.800 -0.031 0.000 0.962 94 D HN 0.181 nan 8.370 nan 0.000 0.490 95 N N -0.151 118.470 118.700 -0.131 0.000 2.451 95 N HA 0.105 4.845 4.740 -0.000 0.000 0.271 95 N C -1.274 174.145 175.510 -0.152 0.000 1.410 95 N CA -0.089 52.907 53.050 -0.090 0.000 0.884 95 N CB 0.411 38.912 38.487 0.022 0.000 1.332 95 N HN -0.030 nan 8.380 nan 0.000 0.498 96 Q N 0.273 119.849 119.800 -0.375 0.000 2.337 96 Q HA 0.418 4.758 4.340 -0.000 0.000 0.266 96 Q C -1.462 174.201 176.000 -0.561 0.000 1.023 96 Q CA -0.673 54.962 55.803 -0.280 0.000 0.829 96 Q CB 1.909 30.568 28.738 -0.131 0.000 1.306 96 Q HN 0.232 nan 8.270 nan 0.000 0.449 97 Y N 1.046 121.343 120.300 -0.004 0.000 2.524 97 Y HA 0.416 4.966 4.550 -0.000 0.000 0.347 97 Y C -0.417 175.470 175.900 -0.021 0.000 1.005 97 Y CA -1.114 56.983 58.100 -0.005 0.000 1.025 97 Y CB 1.421 39.870 38.460 -0.019 0.000 1.275 97 Y HN 0.415 nan 8.280 nan 0.000 0.460 98 I N 2.781 123.431 120.570 0.132 0.000 2.297 98 I HA 0.442 4.612 4.170 -0.000 0.000 0.291 98 I C 0.119 176.197 176.117 -0.065 0.000 1.033 98 I CA -0.676 60.609 61.300 -0.025 0.000 1.253 98 I CB 0.380 38.350 38.000 -0.050 0.000 1.396 98 I HN 0.698 nan 8.210 nan 0.000 0.476 99 A N 7.483 130.242 122.820 -0.102 0.000 2.274 99 A HA 0.609 4.929 4.320 -0.000 0.000 0.309 99 A C -1.147 176.349 177.584 -0.147 0.000 1.226 99 A CA -0.350 51.654 52.037 -0.054 0.000 0.853 99 A CB 0.235 19.215 19.000 -0.034 0.000 1.146 99 A HN 0.537 nan 8.150 nan 0.000 0.518 100 Y N 1.773 122.019 120.300 -0.090 0.000 2.335 100 Y HA 0.471 5.021 4.550 -0.000 0.000 0.339 100 Y C 0.104 175.853 175.900 -0.252 0.000 0.987 100 Y CA -0.327 57.650 58.100 -0.206 0.000 1.140 100 Y CB 1.772 39.877 38.460 -0.590 0.000 1.173 100 Y HN 0.394 nan 8.280 nan 0.000 0.486 101 V N 3.174 123.211 119.914 0.206 0.000 2.540 101 V HA 0.795 4.915 4.120 -0.000 0.000 0.302 101 V C -0.322 175.896 176.094 0.206 0.000 1.035 101 V CA -1.047 61.341 62.300 0.146 0.000 0.873 101 V CB 1.616 33.458 31.823 0.033 0.000 0.992 101 V HN 0.836 nan 8.190 nan 0.000 0.428 102 A N 4.302 127.202 122.820 0.134 0.000 2.303 102 A HA 0.882 5.202 4.320 -0.000 0.000 0.320 102 A C -1.283 176.187 177.584 -0.189 0.000 1.192 102 A CA -0.342 51.732 52.037 0.062 0.000 0.821 102 A CB 0.579 19.648 19.000 0.114 0.000 1.188 102 A HN 0.724 nan 8.150 nan 0.000 0.492 106 D N 1.651 122.138 120.400 0.144 0.000 2.311 106 D HA -0.041 4.599 4.640 -0.000 0.000 0.212 106 D C 2.013 178.350 176.300 0.061 0.000 0.972 106 D CA 1.206 55.292 54.000 0.144 0.000 0.887 106 D CB 0.041 40.983 40.800 0.237 0.000 0.915 106 D HN 0.428 nan 8.370 nan 0.000 0.497 107 L N -0.854 120.315 121.223 -0.090 0.000 2.395 107 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 107 L C 0.142 176.656 176.870 -0.594 0.000 1.130 107 L CA 0.316 54.905 54.840 -0.419 0.000 0.826 107 L CB -0.096 41.550 42.059 -0.688 0.000 0.941 107 L HN -0.097 nan 8.230 nan 0.000 0.451 108 F N -0.423 119.490 119.950 -0.062 0.000 2.480 108 F HA 0.299 4.826 4.527 -0.000 0.000 0.329 108 F C 0.636 176.469 175.800 0.055 0.000 1.091 108 F CA -1.145 56.814 58.000 -0.068 0.000 0.972 108 F CB 1.058 39.848 39.000 -0.351 0.000 1.150 108 F HN -0.194 nan 8.300 nan 0.000 0.467 109 E N 1.850 122.214 120.200 0.274 0.000 2.290 109 E HA 0.108 4.458 4.350 -0.000 0.000 0.277 109 E C -0.761 175.984 176.600 0.241 0.000 1.035 109 E CA -0.530 55.986 56.400 0.193 0.000 0.873 109 E CB 0.507 30.275 29.700 0.113 0.000 1.029 109 E HN 0.494 nan 8.360 nan 0.000 0.419 110 E N 2.692 122.973 120.200 0.135 0.000 2.558 110 E HA 0.123 4.473 4.350 -0.000 0.000 0.255 110 E C 0.933 177.309 176.600 -0.374 0.000 0.968 110 E CA 1.386 57.753 56.400 -0.055 0.000 0.939 110 E CB 0.435 30.103 29.700 -0.053 0.000 0.921 110 E HN 0.817 nan 8.360 nan 0.000 0.477 111 G N 2.615 110.781 108.800 -1.057 0.000 2.162 111 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 111 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 111 G C 0.360 174.815 174.900 -0.742 0.000 0.976 111 G CA 0.413 44.675 45.100 -1.397 0.000 0.655 111 G HN 0.580 nan 8.290 nan 0.000 0.533 112 S N -0.276 115.239 115.700 -0.308 0.000 2.577 112 S HA 0.542 5.012 4.470 -0.000 0.000 0.294 112 S C 1.536 176.312 174.600 0.293 0.000 1.161 112 S CA 0.134 58.385 58.200 0.085 0.000 1.143 112 S CB 1.216 64.466 63.200 0.084 0.000 0.991 112 S HN 0.578 nan 8.310 nan 0.000 0.475 113 V N 4.855 124.938 119.914 0.282 0.000 2.407 113 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 113 V C 2.598 178.628 176.094 -0.107 0.000 1.055 113 V CA 2.454 64.748 62.300 -0.010 0.000 1.049 113 V CB -1.092 30.442 31.823 -0.481 0.000 0.662 113 V HN 0.839 nan 8.190 nan 0.000 0.455 114 T N 0.160 114.686 114.554 -0.047 0.000 2.653 114 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 114 T C 1.920 176.705 174.700 0.141 0.000 1.035 114 T CA 2.101 64.231 62.100 0.050 0.000 1.154 114 T CB -0.513 68.419 68.868 0.106 0.000 0.862 114 T HN 0.588 nan 8.240 nan 0.000 0.441 115 N N 0.420 119.223 118.700 0.171 0.000 2.142 115 N HA -0.074 4.666 4.740 -0.000 0.000 0.186 115 N C 2.127 177.809 175.510 0.288 0.000 1.023 115 N CA 1.161 54.333 53.050 0.203 0.000 0.852 115 N CB -0.232 38.376 38.487 0.202 0.000 0.998 115 N HN 0.398 nan 8.380 nan 0.000 0.424 116 M N -0.173 119.647 119.600 0.366 0.000 2.080 116 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 116 M C 1.622 178.075 176.300 0.255 0.000 1.068 116 M CA 1.660 57.175 55.300 0.358 0.000 1.109 116 M CB -0.206 32.528 32.600 0.224 0.000 1.342 116 M HN 0.048 nan 8.290 nan 0.000 0.405 117 F N 0.442 120.395 119.950 0.005 0.000 2.134 117 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 117 F C 2.532 178.360 175.800 0.046 0.000 1.097 117 F CA 1.930 59.929 58.000 -0.002 0.000 1.264 117 F CB -1.268 37.711 39.000 -0.034 0.000 1.001 117 F HN 0.195 nan 8.300 nan 0.000 0.479 118 T N -1.129 113.569 114.554 0.240 0.000 2.720 118 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 118 T C 2.323 177.085 174.700 0.104 0.000 1.037 118 T CA 1.728 63.921 62.100 0.154 0.000 1.144 118 T CB -0.480 68.463 68.868 0.125 0.000 0.864 118 T HN 0.160 nan 8.240 nan 0.000 0.444 119 S N 0.845 116.591 115.700 0.077 0.000 2.335 119 S HA 0.072 4.542 4.470 -0.000 0.000 0.216 119 S C 2.088 176.699 174.600 0.017 0.000 1.032 119 S CA 0.875 59.078 58.200 0.005 0.000 1.000 119 S CB -0.368 62.765 63.200 -0.111 0.000 0.928 119 S HN 0.399 nan 8.310 nan 0.000 0.434 120 I N 1.528 122.085 120.570 -0.022 0.000 2.315 120 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 120 I C 1.682 177.941 176.117 0.237 0.000 1.117 120 I CA 1.090 62.400 61.300 0.016 0.000 1.404 120 I CB -0.176 37.727 38.000 -0.162 0.000 1.071 120 I HN 0.265 nan 8.210 nan 0.000 0.419 121 V N -2.947 117.055 119.914 0.146 0.000 3.253 121 V HA 0.467 4.587 4.120 -0.000 0.000 0.320 121 V C 1.616 177.822 176.094 0.186 0.000 1.442 121 V CA 0.277 62.722 62.300 0.243 0.000 1.097 121 V CB -0.357 31.408 31.823 -0.098 0.000 1.008 121 V HN 0.228 nan 8.190 nan 0.000 0.463 122 G N 1.840 110.744 108.800 0.174 0.000 2.453 122 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 122 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 122 G C 1.205 176.211 174.900 0.177 0.000 1.201 122 G CA 1.412 46.601 45.100 0.149 0.000 0.784 122 G HN 0.548 nan 8.290 nan 0.000 0.545 123 N N -0.527 118.300 118.700 0.212 0.000 2.297 123 N HA 0.007 4.747 4.740 -0.000 0.000 0.208 123 N C 2.242 177.969 175.510 0.362 0.000 1.176 123 N CA 0.865 54.070 53.050 0.258 0.000 0.882 123 N CB 0.419 39.062 38.487 0.259 0.000 1.134 123 N HN 0.279 nan 8.380 nan 0.000 0.489 124 V N -1.209 118.855 119.914 0.249 0.000 2.720 124 V HA -0.036 4.084 4.120 -0.000 0.000 0.256 124 V C 1.621 177.762 176.094 0.079 0.000 1.082 124 V CA 1.252 63.561 62.300 0.014 0.000 1.101 124 V CB -1.159 30.440 31.823 -0.373 0.000 0.693 124 V HN -0.071 nan 8.190 nan 0.000 0.479 125 F N 2.385 122.395 119.950 0.099 0.000 2.604 125 F HA 0.317 4.844 4.527 -0.000 0.000 0.298 125 F C 2.303 178.234 175.800 0.218 0.000 1.131 125 F CA 1.084 59.163 58.000 0.132 0.000 1.457 125 F CB -0.560 38.501 39.000 0.101 0.000 1.095 125 F HN 0.338 nan 8.300 nan 0.000 0.574 126 G N -1.664 107.352 108.800 0.360 0.000 3.126 126 G HA2 0.042 4.002 3.960 -0.000 0.000 0.224 126 G HA3 0.042 4.002 3.960 -0.000 0.000 0.224 126 G C 0.138 175.125 174.900 0.145 0.000 1.142 126 G CA -0.211 45.022 45.100 0.222 0.000 0.759 126 G HN 0.007 nan 8.290 nan 0.000 0.550 127 F N 1.527 121.486 119.950 0.016 0.000 2.578 127 F HA 0.191 4.718 4.527 -0.000 0.000 0.376 127 F C 1.767 177.560 175.800 -0.012 0.000 1.085 127 F CA 0.162 58.151 58.000 -0.017 0.000 1.260 127 F CB 1.086 40.046 39.000 -0.067 0.000 1.095 127 F HN -0.049 nan 8.300 nan 0.000 0.573 128 K N 2.710 123.120 120.400 0.018 0.000 2.152 128 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 128 K C 1.992 178.632 176.600 0.066 0.000 1.048 128 K CA 1.322 57.620 56.287 0.018 0.000 0.933 128 K CB -0.166 32.313 32.500 -0.035 0.000 0.721 128 K HN 0.721 nan 8.250 nan 0.000 0.447 129 A N 1.187 124.082 122.820 0.125 0.000 2.172 129 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 129 A C 0.753 178.373 177.584 0.059 0.000 1.154 129 A CA 0.627 52.725 52.037 0.101 0.000 0.701 129 A CB -0.533 18.553 19.000 0.142 0.000 0.789 129 A HN 0.253 nan 8.150 nan 0.000 0.465 130 L N -5.860 115.403 121.223 0.066 0.000 2.341 130 L HA 0.683 5.023 4.340 -0.000 0.000 0.267 130 L C 0.548 177.450 176.870 0.053 0.000 1.009 130 L CA -0.786 54.073 54.840 0.032 0.000 0.819 130 L CB 1.389 43.434 42.059 -0.023 0.000 1.323 130 L HN -0.024 nan 8.230 nan 0.000 0.425 131 R N 1.383 121.913 120.500 0.050 0.000 2.189 131 R HA 0.671 5.011 4.340 -0.000 0.000 0.203 131 R C -0.029 176.321 176.300 0.083 0.000 1.012 131 R CA 0.658 56.789 56.100 0.053 0.000 1.015 131 R CB 0.445 30.770 30.300 0.042 0.000 0.938 131 R HN 0.850 nan 8.270 nan 0.000 0.472 132 A N 0.795 123.690 122.820 0.124 0.000 2.605 132 A HA 0.595 4.915 4.320 -0.000 0.000 0.294 132 A C -2.081 175.600 177.584 0.162 0.000 1.062 132 A CA -0.628 51.568 52.037 0.264 0.000 0.682 132 A CB 1.682 20.808 19.000 0.210 0.000 1.278 132 A HN 0.045 nan 8.150 nan 0.000 0.410 133 L N 0.789 122.104 121.223 0.154 0.000 2.493 133 L HA 0.762 5.102 4.340 -0.000 0.000 0.265 133 L C -0.699 176.089 176.870 -0.136 0.000 0.954 133 L CA -0.093 54.634 54.840 -0.189 0.000 0.844 133 L CB 1.904 43.581 42.059 -0.638 0.000 1.302 133 L HN 0.813 nan 8.230 nan 0.000 0.405 134 R N 4.164 124.676 120.500 0.020 0.000 2.532 134 R HA 0.521 4.861 4.340 -0.000 0.000 0.297 134 R C -1.716 174.662 176.300 0.129 0.000 0.984 134 R CA -0.928 55.262 56.100 0.150 0.000 0.884 134 R CB 1.722 32.086 30.300 0.106 0.000 1.182 134 R HN 0.673 nan 8.270 nan 0.000 0.442 135 L N 4.669 126.007 121.223 0.192 0.000 2.315 135 L HA 0.181 4.521 4.340 -0.000 0.000 0.283 135 L C 0.844 177.623 176.870 -0.152 0.000 1.089 135 L CA 0.650 55.415 54.840 -0.125 0.000 0.833 135 L CB 0.921 42.896 42.059 -0.139 0.000 1.170 135 L HN 0.682 nan 8.230 nan 0.000 0.442 136 E N 2.300 122.305 120.200 -0.324 0.000 2.166 136 E HA 0.095 4.444 4.350 -0.000 0.000 0.192 136 E C -0.207 176.189 176.600 -0.341 0.000 0.967 136 E CA 0.511 56.680 56.400 -0.385 0.000 0.840 136 E CB 0.410 29.603 29.700 -0.846 0.000 0.795 136 E HN 0.686 nan 8.360 nan 0.000 0.470 137 D N -1.121 119.082 120.400 -0.329 0.000 2.623 137 D HA 0.400 5.040 4.640 -0.000 0.000 0.241 137 D C -1.506 174.846 176.300 0.085 0.000 1.241 137 D CA -0.463 53.503 54.000 -0.055 0.000 0.788 137 D CB 1.459 42.273 40.800 0.024 0.000 1.413 137 D HN -0.153 nan 8.370 nan 0.000 0.429 138 L N 1.319 122.603 121.223 0.101 0.000 2.408 138 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 138 L C -0.211 176.561 176.870 -0.163 0.000 0.986 138 L CA -0.907 53.887 54.840 -0.077 0.000 0.820 138 L CB 2.251 44.209 42.059 -0.168 0.000 1.303 138 L HN 0.170 nan 8.230 nan 0.000 0.411 139 R N 4.270 124.442 120.500 -0.545 0.000 2.204 139 R HA 0.366 4.706 4.340 -0.000 0.000 0.341 139 R C -0.923 175.160 176.300 -0.362 0.000 1.035 139 R CA -0.629 55.173 56.100 -0.497 0.000 0.887 139 R CB 0.402 30.244 30.300 -0.765 0.000 1.114 139 R HN 0.424 nan 8.270 nan 0.000 0.473 140 I N 7.715 128.080 120.570 -0.341 0.000 2.301 140 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 140 I C -1.945 174.023 176.117 -0.248 0.000 1.046 140 I CA -2.877 58.256 61.300 -0.279 0.000 1.282 140 I CB 0.872 38.676 38.000 -0.326 0.000 1.409 140 I HN 0.248 nan 8.210 nan 0.000 0.484 141 P HA 0.241 nan 4.420 nan 0.000 0.274 141 P C -2.247 175.038 177.300 -0.025 0.000 1.231 141 P CA -1.512 61.539 63.100 -0.083 0.000 0.790 141 P CB 0.443 32.121 31.700 -0.037 0.000 0.951 142 P HA -0.224 nan 4.420 nan 0.000 0.216 142 P C 1.505 178.849 177.300 0.074 0.000 1.154 142 P CA 2.360 65.478 63.100 0.029 0.000 0.865 142 P CB -0.501 31.222 31.700 0.038 0.000 0.789 143 A N -2.234 120.635 122.820 0.082 0.000 2.019 143 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 143 A C 2.187 179.886 177.584 0.192 0.000 1.164 143 A CA 1.445 53.549 52.037 0.112 0.000 0.644 143 A CB -1.607 17.451 19.000 0.096 0.000 0.805 143 A HN 0.176 nan 8.150 nan 0.000 0.449 144 Y N -0.288 120.043 120.300 0.051 0.000 2.389 144 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 144 Y C 2.337 178.383 175.900 0.243 0.000 1.117 144 Y CA 0.848 59.014 58.100 0.110 0.000 1.195 144 Y CB -0.218 38.266 38.460 0.040 0.000 1.076 144 Y HN 0.039 nan 8.280 nan 0.000 0.548 145 V N 0.920 120.914 119.914 0.134 0.000 2.324 145 V HA -0.355 3.765 4.120 -0.000 0.000 0.250 145 V C 2.248 178.457 176.094 0.191 0.000 1.060 145 V CA 2.175 64.544 62.300 0.116 0.000 1.042 145 V CB -0.553 31.323 31.823 0.089 0.000 0.650 145 V HN 0.255 nan 8.190 nan 0.000 0.450 146 K N 0.513 120.991 120.400 0.129 0.000 2.442 146 K HA -0.101 4.219 4.320 -0.000 0.000 0.198 146 K C 2.076 178.705 176.600 0.048 0.000 1.044 146 K CA 1.575 57.918 56.287 0.093 0.000 0.948 146 K CB -0.788 31.756 32.500 0.073 0.000 0.762 146 K HN 0.779 nan 8.250 nan 0.000 0.472 147 T N -2.172 112.380 114.554 -0.003 0.000 3.113 147 T HA 0.075 4.425 4.350 -0.000 0.000 0.256 147 T C 0.524 175.011 174.700 -0.356 0.000 1.131 147 T CA -0.129 61.855 62.100 -0.194 0.000 1.074 147 T CB -0.219 68.460 68.868 -0.315 0.000 0.944 147 T HN -0.154 nan 8.240 nan 0.000 0.516 148 F N 0.514 120.380 119.950 -0.141 0.000 2.421 148 F HA 0.528 5.055 4.527 -0.000 0.000 0.337 148 F C 1.360 177.118 175.800 -0.069 0.000 1.105 148 F CA -1.301 56.629 58.000 -0.117 0.000 1.049 148 F CB 1.589 40.508 39.000 -0.135 0.000 1.139 148 F HN -0.262 nan 8.300 nan 0.000 0.479 149 V N 2.277 122.243 119.914 0.088 0.000 2.343 149 V HA -0.009 4.111 4.120 -0.000 0.000 0.247 149 V C 1.382 177.502 176.094 0.044 0.000 1.051 149 V CA 1.558 63.881 62.300 0.037 0.000 1.036 149 V CB -1.344 30.481 31.823 0.003 0.000 0.654 149 V HN 1.157 nan 8.190 nan 0.000 0.451 153 H N -0.738 118.310 119.070 -0.037 0.000 1.955 153 H HA 0.489 5.045 4.556 -0.000 0.000 0.196 153 H C 1.029 176.347 175.328 -0.016 0.000 0.891 153 H CA 1.194 57.230 56.048 -0.020 0.000 1.001 153 H CB 0.521 30.275 29.762 -0.013 0.000 1.195 153 H HN 0.298 nan 8.280 nan 0.000 0.384 154 G N 1.126 109.982 108.800 0.094 0.000 2.707 154 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 154 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 154 G C 0.785 175.728 174.900 0.071 0.000 1.315 154 G CA -0.054 45.071 45.100 0.041 0.000 0.832 154 G HN 0.197 nan 8.290 nan 0.000 0.573 155 I N 0.299 120.898 120.570 0.047 0.000 2.127 155 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 155 I C 3.000 179.164 176.117 0.078 0.000 1.075 155 I CA 2.468 63.804 61.300 0.060 0.000 1.334 155 I CB -0.377 37.646 38.000 0.039 0.000 1.040 155 I HN 0.675 nan 8.210 nan 0.000 0.405 156 Q N 0.170 120.016 119.800 0.077 0.000 2.030 156 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 156 Q C 2.325 178.389 176.000 0.107 0.000 0.986 156 Q CA 1.762 57.624 55.803 0.099 0.000 0.843 156 Q CB -0.466 28.322 28.738 0.084 0.000 0.904 156 Q HN 0.347 nan 8.270 nan 0.000 0.420 157 V N 0.813 120.784 119.914 0.096 0.000 2.407 157 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 157 V C 2.209 178.339 176.094 0.060 0.000 1.055 157 V CA 2.062 64.419 62.300 0.094 0.000 1.049 157 V CB -0.607 31.296 31.823 0.133 0.000 0.662 157 V HN 0.460 nan 8.190 nan 0.000 0.455 158 E N 0.437 120.678 120.200 0.068 0.000 2.031 158 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 158 E C 2.463 179.079 176.600 0.027 0.000 0.994 158 E CA 1.456 57.885 56.400 0.048 0.000 0.800 158 E CB -0.131 29.637 29.700 0.112 0.000 0.752 158 E HN 0.497 nan 8.360 nan 0.000 0.447 159 R N 0.343 120.856 120.500 0.021 0.000 2.091 159 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 159 R C 2.041 178.229 176.300 -0.186 0.000 1.136 159 R CA 1.612 57.647 56.100 -0.108 0.000 0.959 159 R CB -0.239 30.044 30.300 -0.029 0.000 0.856 159 R HN 0.319 nan 8.270 nan 0.000 0.437 160 D N 0.443 120.867 120.400 0.040 0.000 2.117 160 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 160 D C 1.729 178.052 176.300 0.039 0.000 0.987 160 D CA 1.238 55.313 54.000 0.126 0.000 0.829 160 D CB -0.024 40.870 40.800 0.155 0.000 0.961 160 D HN 0.206 nan 8.370 nan 0.000 0.460 161 K N 0.100 120.501 120.400 0.001 0.000 2.097 161 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 161 K C 2.145 178.732 176.600 -0.023 0.000 1.050 161 K CA 0.528 56.806 56.287 -0.016 0.000 0.938 161 K CB 0.012 32.475 32.500 -0.061 0.000 0.718 161 K HN 0.159 nan 8.250 nan 0.000 0.442 162 L N 0.364 121.557 121.223 -0.049 0.000 2.418 162 L HA 0.003 4.343 4.340 -0.000 0.000 0.218 162 L C 0.631 177.425 176.870 -0.127 0.000 1.125 162 L CA 0.103 54.906 54.840 -0.062 0.000 0.835 162 L CB -0.457 41.576 42.059 -0.043 0.000 0.953 162 L HN 0.395 nan 8.230 nan 0.000 0.454 163 N N 1.241 119.823 118.700 -0.196 0.000 2.758 163 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 163 N C -0.510 174.755 175.510 -0.408 0.000 1.076 163 N CA 0.370 53.284 53.050 -0.225 0.000 0.696 163 N CB -0.387 38.086 38.487 -0.024 0.000 0.979 163 N HN 0.367 nan 8.380 nan 0.000 0.550 164 K N 1.495 121.473 120.400 -0.703 0.000 2.450 164 K HA 0.389 4.709 4.320 -0.000 0.000 0.257 164 K C -1.445 174.765 176.600 -0.650 0.000 0.953 164 K CA -0.340 55.653 56.287 -0.489 0.000 0.844 164 K CB 1.037 33.378 32.500 -0.265 0.000 1.103 164 K HN 0.110 nan 8.250 nan 0.000 0.429 165 Y N -0.576 119.730 120.300 0.010 0.000 2.562 165 Y HA 0.444 4.994 4.550 -0.000 0.000 0.345 165 Y C 1.019 176.926 175.900 0.011 0.000 1.045 165 Y CA -0.755 57.354 58.100 0.014 0.000 1.028 165 Y CB 2.544 41.013 38.460 0.014 0.000 1.297 165 Y HN 0.751 nan 8.280 nan 0.000 0.463 166 G N 1.417 110.326 108.800 0.181 0.000 2.175 166 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.244 166 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.244 166 G C -0.243 174.698 174.900 0.068 0.000 0.982 166 G CA 0.113 45.277 45.100 0.107 0.000 0.641 166 G HN 0.899 nan 8.290 nan 0.000 0.527 167 R N -1.223 119.314 120.500 0.061 0.000 2.690 167 R HA 0.624 4.964 4.340 -0.000 0.000 0.269 167 R C 0.377 176.700 176.300 0.037 0.000 1.037 167 R CA -0.519 55.607 56.100 0.043 0.000 0.877 167 R CB 0.190 30.507 30.300 0.028 0.000 1.255 167 R HN 0.998 nan 8.270 nan 0.000 0.467 168 G N 1.555 110.379 108.800 0.040 0.000 2.554 168 G HA2 0.301 4.261 3.960 -0.000 0.000 0.238 168 G HA3 0.301 4.261 3.960 -0.000 0.000 0.238 168 G C -0.085 174.828 174.900 0.021 0.000 1.259 168 G CA -0.734 44.384 45.100 0.030 0.000 0.843 168 G HN 0.385 nan 8.290 nan 0.000 0.582 169 L N 0.231 121.466 121.223 0.020 0.000 2.418 169 L HA 0.429 4.769 4.340 -0.000 0.000 0.265 169 L C 0.234 177.144 176.870 0.066 0.000 1.143 169 L CA -0.488 54.373 54.840 0.036 0.000 0.809 169 L CB 1.016 43.152 42.059 0.128 0.000 1.124 169 L HN 0.227 nan 8.230 nan 0.000 0.456 170 L N 1.297 122.554 121.223 0.057 0.000 2.333 170 L HA 0.688 5.028 4.340 -0.000 0.000 0.280 170 L C 0.217 177.165 176.870 0.130 0.000 1.004 170 L CA -0.271 54.635 54.840 0.110 0.000 0.820 170 L CB 1.825 43.930 42.059 0.076 0.000 1.247 170 L HN 0.724 nan 8.230 nan 0.000 0.416 171 G N 0.842 109.735 108.800 0.155 0.000 3.105 171 G HA2 0.652 4.612 3.960 -0.000 0.000 0.277 171 G HA3 0.652 4.612 3.960 -0.000 0.000 0.277 171 G C -1.822 173.114 174.900 0.060 0.000 1.375 171 G CA -0.532 44.628 45.100 0.100 0.000 0.962 171 G HN 0.675 nan 8.290 nan 0.000 0.541 172 C N -0.141 119.139 119.300 -0.034 0.000 3.135 172 C HA 0.591 5.051 4.460 -0.000 0.000 0.428 172 C C -0.366 174.584 174.990 -0.066 0.000 0.972 172 C CA -0.506 58.508 59.018 -0.007 0.000 1.218 172 C CB 0.339 28.095 27.740 0.027 0.000 1.595 172 C HN 0.854 nan 8.230 nan 0.000 0.576 173 T N 7.173 121.712 114.554 -0.025 0.000 2.780 173 T HA 0.396 4.746 4.350 -0.000 0.000 0.294 173 T C 0.570 175.266 174.700 -0.007 0.000 0.949 173 T CA -0.262 61.832 62.100 -0.011 0.000 1.074 173 T CB 0.365 69.258 68.868 0.042 0.000 0.910 173 T HN 0.579 nan 8.240 nan 0.000 0.501 174 I N 4.025 124.576 120.570 -0.031 0.000 2.648 174 I HA 0.189 4.359 4.170 -0.000 0.000 0.284 174 I C 0.684 176.776 176.117 -0.043 0.000 1.153 174 I CA 0.199 61.420 61.300 -0.131 0.000 1.426 174 I CB -0.081 37.614 38.000 -0.509 0.000 1.381 174 I HN 0.455 nan 8.210 nan 0.000 0.571 175 K N 6.500 126.876 120.400 -0.041 0.000 2.435 175 K HA 0.551 4.871 4.320 -0.000 0.000 0.251 175 K C -2.443 174.160 176.600 0.005 0.000 0.954 175 K CA -1.602 54.694 56.287 0.014 0.000 0.820 175 K CB 1.756 34.278 32.500 0.036 0.000 1.292 175 K HN 0.301 nan 8.250 nan 0.000 0.436 176 P HA 0.131 nan 4.420 nan 0.000 0.270 176 P C 0.271 177.600 177.300 0.049 0.000 1.223 176 P CA -0.143 62.971 63.100 0.023 0.000 0.785 176 P CB 0.907 32.604 31.700 -0.006 0.000 0.923 177 K N 0.351 120.778 120.400 0.046 0.000 2.034 177 K HA -0.095 4.225 4.320 -0.000 0.000 0.214 177 K C 0.798 177.458 176.600 0.100 0.000 1.051 177 K CA 1.307 57.641 56.287 0.078 0.000 0.931 177 K CB -0.309 32.220 32.500 0.049 0.000 0.715 177 K HN 0.403 nan 8.250 nan 0.000 0.446 178 L N -2.104 119.106 121.223 -0.021 0.000 2.333 178 L HA 0.426 4.766 4.340 -0.000 0.000 0.263 178 L C 0.767 177.319 176.870 -0.531 0.000 1.014 178 L CA -0.329 54.376 54.840 -0.225 0.000 0.820 178 L CB 2.225 44.178 42.059 -0.178 0.000 1.352 178 L HN 0.478 nan 8.230 nan 0.000 0.421 179 G N 1.058 109.080 108.800 -1.296 0.000 2.231 179 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.206 179 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.206 179 G C -0.166 174.559 174.900 -0.291 0.000 0.996 179 G CA -0.573 44.021 45.100 -0.843 0.000 0.645 179 G HN 0.313 nan 8.290 nan 0.000 0.498 180 L N 2.522 123.723 121.223 -0.036 0.000 2.371 180 L HA 0.547 4.887 4.340 -0.000 0.000 0.272 180 L C 1.499 178.564 176.870 0.325 0.000 1.124 180 L CA -0.046 54.904 54.840 0.183 0.000 0.816 180 L CB 1.423 43.657 42.059 0.290 0.000 1.129 180 L HN 0.462 nan 8.230 nan 0.000 0.448 181 S N 1.773 117.606 115.700 0.222 0.000 2.600 181 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 181 S C 1.133 175.841 174.600 0.180 0.000 1.325 181 S CA -0.153 58.161 58.200 0.190 0.000 1.002 181 S CB 1.525 64.781 63.200 0.093 0.000 0.921 181 S HN 0.713 nan 8.310 nan 0.000 0.554 182 A N 1.742 124.650 122.820 0.146 0.000 1.892 182 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 182 A C 2.129 179.727 177.584 0.024 0.000 1.188 182 A CA 2.246 54.397 52.037 0.190 0.000 0.631 182 A CB -1.135 18.064 19.000 0.332 0.000 0.822 182 A HN 0.960 nan 8.150 nan 0.000 0.447 183 K N 0.006 120.192 120.400 -0.356 0.000 2.026 183 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 183 K C 1.683 178.106 176.600 -0.295 0.000 1.048 183 K CA 1.849 57.652 56.287 -0.807 0.000 0.929 183 K CB -0.270 31.779 32.500 -0.751 0.000 0.713 183 K HN 0.425 nan 8.250 nan 0.000 0.439 184 N N -0.471 118.169 118.700 -0.099 0.000 2.244 184 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 184 N C 1.485 177.024 175.510 0.048 0.000 1.016 184 N CA 0.940 53.983 53.050 -0.012 0.000 0.866 184 N CB -0.299 38.203 38.487 0.025 0.000 0.980 184 N HN 0.253 nan 8.380 nan 0.000 0.430 185 Y N 1.239 121.536 120.300 -0.004 0.000 2.114 185 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 185 Y C 2.464 178.369 175.900 0.008 0.000 1.143 185 Y CA 1.891 60.012 58.100 0.035 0.000 1.135 185 Y CB -0.655 37.853 38.460 0.082 0.000 0.980 185 Y HN 0.070 nan 8.280 nan 0.000 0.499 186 G N -0.635 108.260 108.800 0.157 0.000 2.422 186 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 186 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 186 G C 1.737 176.682 174.900 0.075 0.000 1.146 186 G CA 0.834 45.997 45.100 0.105 0.000 0.769 186 G HN 0.347 nan 8.290 nan 0.000 0.547 187 R N 0.585 121.103 120.500 0.031 0.000 2.070 187 R HA 0.003 4.343 4.340 -0.000 0.000 0.233 187 R C 2.809 179.150 176.300 0.069 0.000 1.137 187 R CA 1.687 57.826 56.100 0.065 0.000 0.945 187 R CB -0.478 29.828 30.300 0.010 0.000 0.845 187 R HN 0.245 nan 8.270 nan 0.000 0.430 188 A N 0.343 123.159 122.820 -0.007 0.000 1.933 188 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 188 A C 2.303 179.859 177.584 -0.047 0.000 1.175 188 A CA 1.567 53.574 52.037 -0.050 0.000 0.628 188 A CB -0.526 18.398 19.000 -0.126 0.000 0.814 188 A HN 0.253 nan 8.150 nan 0.000 0.444 189 V N -1.125 118.768 119.914 -0.034 0.000 2.295 189 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 189 V C 2.388 178.513 176.094 0.052 0.000 1.049 189 V CA 2.195 64.501 62.300 0.009 0.000 1.024 189 V CB -1.048 30.767 31.823 -0.013 0.000 0.648 189 V HN 0.754 nan 8.190 nan 0.000 0.447 190 Y N 1.488 121.778 120.300 -0.016 0.000 2.128 190 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 190 Y C 2.546 178.442 175.900 -0.006 0.000 1.154 190 Y CA 1.994 60.092 58.100 -0.004 0.000 1.149 190 Y CB -0.360 38.103 38.460 0.006 0.000 0.976 190 Y HN 0.281 nan 8.280 nan 0.000 0.505 191 E N -0.446 119.558 120.200 -0.328 0.000 2.106 191 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 191 E C 2.484 178.929 176.600 -0.257 0.000 0.984 191 E CA 1.318 57.477 56.400 -0.401 0.000 0.806 191 E CB -0.856 28.740 29.700 -0.172 0.000 0.750 191 E HN 0.553 nan 8.360 nan 0.000 0.458 192 C N 0.747 119.959 119.300 -0.147 0.000 2.462 192 C HA -0.077 4.383 4.460 -0.000 0.000 0.278 192 C C 2.886 177.814 174.990 -0.103 0.000 1.253 192 C CA 0.381 59.341 59.018 -0.096 0.000 1.713 192 C CB -1.157 26.554 27.740 -0.047 0.000 2.049 192 C HN 0.363 nan 8.230 nan 0.000 0.477 193 L N 1.261 122.431 121.223 -0.088 0.000 2.042 193 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 193 L C 2.888 179.699 176.870 -0.098 0.000 1.076 193 L CA 1.945 56.744 54.840 -0.068 0.000 0.749 193 L CB -0.772 41.281 42.059 -0.011 0.000 0.893 193 L HN 0.494 nan 8.230 nan 0.000 0.432 194 R N 0.434 120.826 120.500 -0.180 0.000 2.237 194 R HA -0.061 4.279 4.340 -0.000 0.000 0.219 194 R C 1.893 178.112 176.300 -0.134 0.000 1.080 194 R CA 1.262 57.258 56.100 -0.174 0.000 0.995 194 R CB -0.646 29.437 30.300 -0.362 0.000 0.875 194 R HN 0.264 nan 8.270 nan 0.000 0.462 195 G N -0.602 108.114 108.800 -0.140 0.000 2.880 195 G HA2 0.250 4.210 3.960 -0.000 0.000 0.209 195 G HA3 0.250 4.210 3.960 -0.000 0.000 0.209 195 G C 0.888 175.739 174.900 -0.082 0.000 1.157 195 G CA 0.282 45.316 45.100 -0.109 0.000 0.779 195 G HN 0.575 nan 8.290 nan 0.000 0.539 196 G N -0.769 107.985 108.800 -0.077 0.000 2.370 196 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.174 196 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.174 196 G C 0.229 175.087 174.900 -0.070 0.000 1.002 196 G CA -0.419 44.642 45.100 -0.064 0.000 0.730 196 G HN 0.300 nan 8.290 nan 0.000 0.497 197 L N 1.460 122.640 121.223 -0.072 0.000 2.397 197 L HA 0.354 4.694 4.340 -0.000 0.000 0.271 197 L C 1.040 177.835 176.870 -0.125 0.000 1.148 197 L CA -0.681 54.118 54.840 -0.068 0.000 0.825 197 L CB 0.667 42.705 42.059 -0.035 0.000 1.117 197 L HN 0.002 nan 8.230 nan 0.000 0.456 198 D N 1.640 121.917 120.400 -0.205 0.000 2.162 198 D HA 0.021 4.661 4.640 -0.000 0.000 0.203 198 D C -0.072 175.885 176.300 -0.571 0.000 0.967 198 D CA 1.565 55.287 54.000 -0.464 0.000 0.840 198 D CB 0.277 40.662 40.800 -0.692 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.156 119.760 119.950 -0.057 0.000 2.588 199 F HA 0.318 4.845 4.527 -0.000 0.000 0.314 199 F C 0.661 176.311 175.800 -0.250 0.000 1.069 199 F CA -1.024 56.877 58.000 -0.165 0.000 0.931 199 F CB 1.782 40.642 39.000 -0.234 0.000 1.260 199 F HN -0.336 nan 8.300 nan 0.000 0.465 203 D N 1.176 121.700 120.400 0.206 0.000 2.400 203 D HA -0.028 4.612 4.640 -0.000 0.000 0.238 203 D C 1.571 177.859 176.300 -0.021 0.000 1.157 203 D CA 0.075 54.125 54.000 0.084 0.000 0.889 203 D CB 1.041 41.906 40.800 0.109 0.000 1.199 203 D HN 0.413 nan 8.370 nan 0.000 0.436 204 E N 2.431 122.497 120.200 -0.224 0.000 2.130 204 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 204 E C 0.732 177.232 176.600 -0.167 0.000 0.998 204 E CA 1.346 57.507 56.400 -0.398 0.000 0.806 204 E CB -0.426 28.685 29.700 -0.982 0.000 0.738 204 E HN 0.511 nan 8.360 nan 0.000 0.459 205 N N 0.956 119.609 118.700 -0.079 0.000 2.336 205 N HA 0.007 4.747 4.740 -0.000 0.000 0.189 205 N C 0.024 175.570 175.510 0.060 0.000 1.113 205 N CA -0.060 52.984 53.050 -0.010 0.000 0.858 205 N CB 0.131 38.623 38.487 0.007 0.000 0.970 205 N HN -0.038 nan 8.380 nan 0.000 0.471 206 V N 1.901 121.863 119.914 0.081 0.000 2.370 206 V HA 0.171 4.291 4.120 -0.000 0.000 0.257 206 V C 0.293 176.429 176.094 0.070 0.000 1.064 206 V CA -0.156 62.211 62.300 0.112 0.000 0.975 206 V CB -0.497 31.405 31.823 0.131 0.000 1.067 206 V HN 0.314 nan 8.190 nan 0.000 0.485 207 N N 2.563 121.289 118.700 0.042 0.000 2.833 207 N HA 0.256 4.996 4.740 -0.000 0.000 0.168 207 N C -0.185 175.347 175.510 0.037 0.000 1.383 207 N CA -0.354 52.715 53.050 0.031 0.000 1.103 207 N CB 0.592 39.076 38.487 -0.006 0.000 1.235 207 N HN 0.498 nan 8.380 nan 0.000 0.437 208 S N 0.185 115.882 115.700 -0.005 0.000 2.677 208 S HA 0.464 4.934 4.470 -0.000 0.000 0.283 208 S C -1.770 172.750 174.600 -0.133 0.000 1.159 208 S CA -0.410 57.787 58.200 -0.006 0.000 1.001 208 S CB 1.242 64.552 63.200 0.184 0.000 1.032 208 S HN 0.262 nan 8.310 nan 0.000 0.487 209 Q N 3.308 122.911 119.800 -0.330 0.000 2.501 209 Q HA 0.478 4.818 4.340 -0.000 0.000 0.288 209 Q C -2.101 173.630 176.000 -0.448 0.000 1.051 209 Q CA -1.798 53.740 55.803 -0.441 0.000 0.788 209 Q CB 1.757 30.040 28.738 -0.759 0.000 1.469 209 Q HN 0.272 nan 8.270 nan 0.000 0.416 210 P HA -0.191 nan 4.420 nan 0.000 0.216 210 P C 0.589 177.838 177.300 -0.085 0.000 1.150 210 P CA 1.419 64.456 63.100 -0.106 0.000 0.843 210 P CB 0.032 31.740 31.700 0.014 0.000 0.787 211 F N -2.537 117.425 119.950 0.020 0.000 2.456 211 F HA 0.253 4.780 4.527 -0.000 0.000 0.298 211 F C 0.999 176.814 175.800 0.025 0.000 1.104 211 F CA 0.177 58.192 58.000 0.025 0.000 1.435 211 F CB -0.567 38.453 39.000 0.033 0.000 1.078 211 F HN -0.180 nan 8.300 nan 0.000 0.546 212 M N 1.301 120.651 119.600 -0.416 0.000 2.310 212 M HA 0.341 4.821 4.480 -0.000 0.000 0.242 212 M C -1.463 174.670 176.300 -0.278 0.000 1.000 212 M CA -0.541 54.634 55.300 -0.210 0.000 0.970 212 M CB 1.063 33.638 32.600 -0.041 0.000 2.191 212 M HN -0.198 nan 8.290 nan 0.000 0.470 213 R N 3.750 124.149 120.500 -0.169 0.000 2.459 213 R HA 0.270 4.610 4.340 -0.000 0.000 0.281 213 R C 1.062 177.267 176.300 -0.158 0.000 1.050 213 R CA -0.215 55.780 56.100 -0.174 0.000 1.055 213 R CB 0.586 30.759 30.300 -0.213 0.000 1.045 213 R HN 0.958 nan 8.270 nan 0.000 0.495 214 W N 4.023 125.208 121.300 -0.191 0.000 2.338 214 W HA -0.154 4.506 4.660 0.000 0.000 0.304 214 W C 1.129 177.456 176.519 -0.320 0.000 1.212 214 W CA 0.742 57.945 57.345 -0.237 0.000 1.264 214 W CB -0.444 28.801 29.460 -0.358 0.000 1.142 214 W HN 0.552 nan 8.180 nan 0.000 0.512 215 R N 0.993 120.720 120.500 -1.287 0.000 2.090 215 R HA -0.128 4.212 4.340 -0.000 0.000 0.228 215 R C 1.856 177.893 176.300 -0.438 0.000 1.110 215 R CA 1.900 57.284 56.100 -1.192 0.000 0.973 215 R CB -0.346 29.026 30.300 -1.546 0.000 0.869 215 R HN -0.023 nan 8.270 nan 0.000 0.440 216 D N 0.080 120.283 120.400 -0.329 0.000 2.104 216 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 216 D C 1.850 178.191 176.300 0.069 0.000 0.994 216 D CA 1.173 55.095 54.000 -0.130 0.000 0.830 216 D CB -0.243 40.546 40.800 -0.020 0.000 0.959 216 D HN 0.235 nan 8.370 nan 0.000 0.452 217 R N -0.297 120.287 120.500 0.141 0.000 2.083 217 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 217 R C 2.290 178.786 176.300 0.327 0.000 1.137 217 R CA 1.087 57.338 56.100 0.251 0.000 0.951 217 R CB -0.359 30.043 30.300 0.169 0.000 0.851 217 R HN 0.044 nan 8.270 nan 0.000 0.434 218 F N 1.048 121.032 119.950 0.056 0.000 2.126 218 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 218 F C 2.232 178.041 175.800 0.014 0.000 1.096 218 F CA 1.052 59.101 58.000 0.081 0.000 1.255 218 F CB -0.690 38.410 39.000 0.167 0.000 0.997 218 F HN 0.060 nan 8.300 nan 0.000 0.479 219 L N -1.824 119.469 121.223 0.116 0.000 2.027 219 L HA -0.236 4.104 4.340 -0.000 0.000 0.206 219 L C 2.485 179.314 176.870 -0.070 0.000 1.074 219 L CA 1.277 56.082 54.840 -0.058 0.000 0.745 219 L CB -0.588 41.314 42.059 -0.261 0.000 0.898 219 L HN 0.036 nan 8.230 nan 0.000 0.433 220 F N -0.850 119.131 119.950 0.053 0.000 2.186 220 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 220 F C 2.384 178.192 175.800 0.013 0.000 1.090 220 F CA 0.946 58.968 58.000 0.037 0.000 1.307 220 F CB -0.950 38.079 39.000 0.049 0.000 1.019 220 F HN -0.200 nan 8.300 nan 0.000 0.489 221 V N -0.130 119.883 119.914 0.164 0.000 2.343 221 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 221 V C 2.605 178.667 176.094 -0.052 0.000 1.051 221 V CA 1.652 63.943 62.300 -0.015 0.000 1.036 221 V CB -1.350 30.353 31.823 -0.200 0.000 0.654 221 V HN 0.347 nan 8.190 nan 0.000 0.451 222 A N -0.397 122.401 122.820 -0.035 0.000 1.892 222 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 222 A C 2.292 179.845 177.584 -0.052 0.000 1.188 222 A CA 2.260 54.231 52.037 -0.109 0.000 0.631 222 A CB -0.609 18.412 19.000 0.035 0.000 0.822 222 A HN 0.628 nan 8.150 nan 0.000 0.447 223 E N -0.305 119.943 120.200 0.080 0.000 2.085 223 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 223 E C 2.173 178.819 176.600 0.077 0.000 0.994 223 E CA 1.154 57.629 56.400 0.124 0.000 0.801 223 E CB -0.262 29.519 29.700 0.134 0.000 0.743 223 E HN 0.559 nan 8.360 nan 0.000 0.453 224 A N 0.967 123.824 122.820 0.061 0.000 1.902 224 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 224 A C 2.159 179.796 177.584 0.087 0.000 1.181 224 A CA 1.286 53.376 52.037 0.089 0.000 0.623 224 A CB -0.599 18.469 19.000 0.114 0.000 0.818 224 A HN 0.314 nan 8.150 nan 0.000 0.443 225 I N -1.725 118.821 120.570 -0.039 0.000 2.127 225 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 225 I C 2.369 178.460 176.117 -0.045 0.000 1.075 225 I CA 1.556 62.792 61.300 -0.106 0.000 1.334 225 I CB -0.452 37.359 38.000 -0.316 0.000 1.040 225 I HN 0.387 nan 8.210 nan 0.000 0.405 226 Y N 0.708 121.049 120.300 0.069 0.000 2.293 226 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 226 Y C 2.513 178.442 175.900 0.047 0.000 1.137 226 Y CA 0.992 59.122 58.100 0.050 0.000 1.202 226 Y CB -0.712 37.769 38.460 0.035 0.000 0.990 226 Y HN 0.111 nan 8.280 nan 0.000 0.537 227 K N 0.243 120.746 120.400 0.173 0.000 2.025 227 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 227 K C 2.316 179.036 176.600 0.201 0.000 1.049 227 K CA 1.216 57.559 56.287 0.094 0.000 0.933 227 K CB -0.263 32.158 32.500 -0.131 0.000 0.714 227 K HN 0.207 nan 8.250 nan 0.000 0.438 228 A N 1.006 123.996 122.820 0.283 0.000 1.933 228 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 228 A C 2.083 179.749 177.584 0.136 0.000 1.175 228 A CA 1.639 53.825 52.037 0.248 0.000 0.628 228 A CB -0.597 18.509 19.000 0.177 0.000 0.814 228 A HN 0.567 nan 8.150 nan 0.000 0.444 229 Q N -0.543 119.334 119.800 0.127 0.000 2.084 229 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 229 Q C 2.172 178.231 176.000 0.098 0.000 0.978 229 Q CA 1.577 57.443 55.803 0.104 0.000 0.844 229 Q CB -0.341 28.482 28.738 0.142 0.000 0.898 229 Q HN 0.601 nan 8.270 nan 0.000 0.426 230 A N 0.686 123.574 122.820 0.114 0.000 1.933 230 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 230 A C 1.882 179.511 177.584 0.075 0.000 1.175 230 A CA 1.637 53.724 52.037 0.084 0.000 0.628 230 A CB -0.637 18.409 19.000 0.077 0.000 0.814 230 A HN 0.617 nan 8.150 nan 0.000 0.444 231 E N -0.459 119.799 120.200 0.098 0.000 2.072 231 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 231 E C 2.007 178.644 176.600 0.062 0.000 0.985 231 E CA 1.800 58.255 56.400 0.093 0.000 0.801 231 E CB -0.062 29.729 29.700 0.152 0.000 0.750 231 E HN 0.731 nan 8.360 nan 0.000 0.452 232 T N -3.941 110.645 114.554 0.054 0.000 3.051 232 T HA 0.233 4.583 4.350 -0.000 0.000 0.255 232 T C 1.559 176.274 174.700 0.024 0.000 1.085 232 T CA 0.614 62.731 62.100 0.028 0.000 1.109 232 T CB 0.455 69.330 68.868 0.011 0.000 0.921 232 T HN 0.325 nan 8.240 nan 0.000 0.488 233 G N 1.256 110.075 108.800 0.032 0.000 2.148 233 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 233 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 233 G C -0.255 174.655 174.900 0.017 0.000 0.981 233 G CA 0.291 45.407 45.100 0.027 0.000 0.670 233 G HN 0.676 nan 8.290 nan 0.000 0.528 234 E N -0.558 119.647 120.200 0.008 0.000 2.207 234 E HA 0.526 4.876 4.350 -0.000 0.000 0.270 234 E C 0.267 176.858 176.600 -0.015 0.000 0.927 234 E CA -1.067 55.324 56.400 -0.014 0.000 0.799 234 E CB 2.439 32.116 29.700 -0.038 0.000 1.172 234 E HN 0.064 nan 8.360 nan 0.000 0.404 235 V N 3.863 123.760 119.914 -0.029 0.000 2.599 235 V HA -0.010 4.110 4.120 -0.000 0.000 0.300 235 V C 0.263 176.316 176.094 -0.068 0.000 1.034 235 V CA 0.466 62.753 62.300 -0.021 0.000 1.115 235 V CB -0.019 31.791 31.823 -0.023 0.000 0.934 235 V HN 0.512 nan 8.190 nan 0.000 0.485 236 K N 3.139 123.524 120.400 -0.025 0.000 2.340 236 K HA 0.842 5.162 4.320 -0.000 0.000 0.244 236 K C 0.030 176.649 176.600 0.032 0.000 0.973 236 K CA -0.437 55.821 56.287 -0.049 0.000 0.828 236 K CB 2.418 34.910 32.500 -0.014 0.000 1.226 236 K HN 0.835 nan 8.250 nan 0.000 0.437 237 G N 0.073 108.944 108.800 0.119 0.000 2.692 237 G HA2 0.393 4.353 3.960 -0.000 0.000 0.291 237 G HA3 0.393 4.353 3.960 -0.000 0.000 0.291 237 G C -1.925 173.159 174.900 0.307 0.000 1.423 237 G CA -0.281 44.992 45.100 0.287 0.000 0.843 237 G HN 0.553 nan 8.290 nan 0.000 0.486 238 H N 0.342 119.473 119.070 0.101 0.000 2.934 238 H HA 0.327 4.883 4.556 -0.000 0.000 0.340 238 H C -1.168 174.169 175.328 0.016 0.000 1.008 238 H CA -0.583 55.453 56.048 -0.019 0.000 1.317 238 H CB 1.376 31.122 29.762 -0.026 0.000 1.670 238 H HN 0.370 nan 8.280 nan 0.000 0.516 239 Y N 5.543 125.604 120.300 -0.398 0.000 2.674 239 Y HA 0.117 4.667 4.550 -0.000 0.000 0.354 239 Y C 0.677 176.469 175.900 -0.179 0.000 1.089 239 Y CA -0.583 57.343 58.100 -0.290 0.000 1.444 239 Y CB -0.580 37.661 38.460 -0.364 0.000 1.187 239 Y HN 0.328 nan 8.280 nan 0.000 0.523 240 L N 3.787 125.036 121.223 0.044 0.000 2.319 240 L HA 0.167 4.507 4.340 -0.000 0.000 0.280 240 L C 0.675 177.548 176.870 0.006 0.000 1.099 240 L CA 0.005 54.776 54.840 -0.114 0.000 0.828 240 L CB 0.400 42.017 42.059 -0.738 0.000 1.150 240 L HN 0.619 nan 8.230 nan 0.000 0.442 241 N N 1.946 120.732 118.700 0.144 0.000 2.420 241 N HA 0.176 4.916 4.740 -0.000 0.000 0.262 241 N C 0.629 176.271 175.510 0.221 0.000 1.144 241 N CA -0.112 53.044 53.050 0.177 0.000 0.952 241 N CB 1.071 39.648 38.487 0.150 0.000 1.081 241 N HN 0.779 nan 8.380 nan 0.000 0.480 242 A N 2.713 125.622 122.820 0.148 0.000 2.238 242 A HA 0.053 4.373 4.320 -0.000 0.000 0.210 242 A C 0.742 178.339 177.584 0.021 0.000 1.179 242 A CA 0.081 52.146 52.037 0.047 0.000 0.827 242 A CB 0.008 19.003 19.000 -0.007 0.000 0.856 242 A HN 0.592 nan 8.150 nan 0.000 0.488 243 T N 1.800 116.431 114.554 0.128 0.000 2.905 243 T HA 0.418 4.768 4.350 -0.000 0.000 0.299 243 T C 0.200 174.898 174.700 -0.004 0.000 1.024 243 T CA 0.939 63.115 62.100 0.127 0.000 1.151 243 T CB 0.478 69.361 68.868 0.025 0.000 0.987 243 T HN 0.741 nan 8.240 nan 0.000 0.535 244 A N 2.526 125.337 122.820 -0.015 0.000 2.588 244 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 244 A C 1.304 178.858 177.584 -0.050 0.000 1.136 244 A CA -0.302 51.690 52.037 -0.076 0.000 0.681 244 A CB 0.631 19.537 19.000 -0.156 0.000 1.282 244 A HN 0.750 nan 8.150 nan 0.000 0.421 245 G N -0.686 108.078 108.800 -0.059 0.000 2.422 245 G HA2 0.325 4.285 3.960 -0.000 0.000 0.218 245 G HA3 0.325 4.285 3.960 -0.000 0.000 0.218 245 G C 0.700 175.576 174.900 -0.040 0.000 1.140 245 G CA 1.870 46.944 45.100 -0.042 0.000 0.775 245 G HN 1.660 nan 8.290 nan 0.000 0.545 246 T N -4.297 110.225 114.554 -0.055 0.000 2.896 246 T HA 0.308 4.658 4.350 -0.000 0.000 0.297 246 T C 0.875 175.532 174.700 -0.071 0.000 1.108 246 T CA -0.233 61.836 62.100 -0.052 0.000 1.004 246 T CB 1.398 70.237 68.868 -0.048 0.000 1.159 246 T HN -0.065 nan 8.240 nan 0.000 0.499 247 C N 0.683 119.944 119.300 -0.064 0.000 2.425 247 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 247 C C 2.597 177.520 174.990 -0.111 0.000 1.280 247 C CA 0.816 59.782 59.018 -0.086 0.000 1.744 247 C CB -1.354 26.348 27.740 -0.065 0.000 1.989 247 C HN 1.007 nan 8.230 nan 0.000 0.491 248 E N 0.977 121.123 120.200 -0.090 0.000 2.077 248 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 248 E C 2.230 178.753 176.600 -0.130 0.000 0.989 248 E CA 0.973 57.316 56.400 -0.094 0.000 0.800 248 E CB -0.290 29.373 29.700 -0.061 0.000 0.746 248 E HN 0.530 nan 8.360 nan 0.000 0.452 249 E N 0.168 120.285 120.200 -0.139 0.000 2.072 249 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 249 E C 2.035 178.447 176.600 -0.313 0.000 0.985 249 E CA 0.745 57.021 56.400 -0.207 0.000 0.801 249 E CB -0.289 29.304 29.700 -0.178 0.000 0.750 249 E HN 0.316 nan 8.360 nan 0.000 0.452 250 M N -0.128 119.324 119.600 -0.248 0.000 2.082 250 M HA -0.219 4.261 4.480 -0.000 0.000 0.258 250 M C 1.964 178.076 176.300 -0.313 0.000 1.069 250 M CA 1.481 56.623 55.300 -0.263 0.000 1.102 250 M CB -0.007 32.471 32.600 -0.204 0.000 1.336 250 M HN 0.038 nan 8.290 nan 0.000 0.404 251 M N 0.037 119.461 119.600 -0.294 0.000 2.175 251 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 251 M C 1.929 178.030 176.300 -0.331 0.000 1.063 251 M CA 1.682 56.767 55.300 -0.358 0.000 1.119 251 M CB -1.177 31.251 32.600 -0.288 0.000 1.377 251 M HN 0.269 nan 8.290 nan 0.000 0.415 252 K N -0.166 120.072 120.400 -0.270 0.000 2.103 252 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 252 K C 2.147 178.564 176.600 -0.304 0.000 1.048 252 K CA 1.366 57.530 56.287 -0.206 0.000 0.930 252 K CB -0.051 32.365 32.500 -0.140 0.000 0.716 252 K HN 0.322 nan 8.250 nan 0.000 0.444 253 R N -0.073 120.062 120.500 -0.608 0.000 2.073 253 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 253 R C 2.390 178.655 176.300 -0.059 0.000 1.120 253 R CA 1.089 56.761 56.100 -0.713 0.000 0.967 253 R CB -0.301 29.459 30.300 -0.900 0.000 0.862 253 R HN 0.154 nan 8.270 nan 0.000 0.436 254 A N 1.278 124.010 122.820 -0.146 0.000 1.908 254 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 254 A C 1.427 179.027 177.584 0.027 0.000 1.181 254 A CA 0.922 52.911 52.037 -0.081 0.000 0.627 254 A CB -0.516 18.265 19.000 -0.366 0.000 0.818 254 A HN 0.055 nan 8.150 nan 0.000 0.445 258 K N 0.834 121.371 120.400 0.228 0.000 2.032 258 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 258 K C 1.440 178.138 176.600 0.163 0.000 1.048 258 K CA 2.012 58.417 56.287 0.196 0.000 0.927 258 K CB -0.188 32.457 32.500 0.241 0.000 0.712 258 K HN 0.622 nan 8.250 nan 0.000 0.441 259 E N 0.317 120.619 120.200 0.170 0.000 2.274 259 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 259 E C 1.805 178.489 176.600 0.140 0.000 0.996 259 E CA 0.575 57.058 56.400 0.138 0.000 0.840 259 E CB 0.078 29.855 29.700 0.128 0.000 0.772 259 E HN 0.348 nan 8.360 nan 0.000 0.491 260 L N -0.517 120.810 121.223 0.173 0.000 2.558 260 L HA 0.132 4.472 4.340 -0.000 0.000 0.225 260 L C 1.434 178.448 176.870 0.240 0.000 1.128 260 L CA 0.339 55.297 54.840 0.196 0.000 0.868 260 L CB 0.073 42.254 42.059 0.203 0.000 1.006 260 L HN 0.253 nan 8.230 nan 0.000 0.454 261 G N 0.762 109.679 108.800 0.195 0.000 2.155 261 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 261 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 261 G C 0.408 175.445 174.900 0.229 0.000 0.983 261 G CA 0.337 45.557 45.100 0.200 0.000 0.676 261 G HN 0.271 nan 8.290 nan 0.000 0.528 262 V N -2.186 117.830 119.914 0.170 0.000 2.834 262 V HA 0.696 4.816 4.120 -0.000 0.000 0.301 262 V C 0.027 176.171 176.094 0.083 0.000 1.066 262 V CA -0.866 61.484 62.300 0.083 0.000 1.052 262 V CB 1.208 33.026 31.823 -0.009 0.000 1.021 262 V HN 0.049 nan 8.190 nan 0.000 0.480 263 P HA 0.231 nan 4.420 nan 0.000 0.224 263 P C 0.137 177.469 177.300 0.053 0.000 1.157 263 P CA 0.830 63.977 63.100 0.078 0.000 0.799 263 P CB 0.499 32.272 31.700 0.121 0.000 0.809 264 I N -0.247 120.356 120.570 0.056 0.000 2.722 264 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 264 I C -1.060 175.063 176.117 0.010 0.000 1.267 264 I CA -1.548 59.756 61.300 0.007 0.000 1.036 264 I CB 2.230 40.217 38.000 -0.021 0.000 1.281 264 I HN -0.243 nan 8.210 nan 0.000 0.423 265 I N 4.649 125.207 120.570 -0.021 0.000 3.170 265 I HA 0.702 4.872 4.170 -0.000 0.000 0.312 265 I C -0.838 175.272 176.117 -0.011 0.000 1.085 265 I CA -0.951 60.350 61.300 0.002 0.000 0.999 265 I CB 2.152 40.171 38.000 0.032 0.000 1.233 265 I HN 0.705 nan 8.210 nan 0.000 0.467 266 M N 1.633 121.270 119.600 0.062 0.000 2.690 266 M HA 0.647 5.127 4.480 -0.000 0.000 0.302 266 M C -1.522 174.881 176.300 0.173 0.000 1.234 266 M CA -0.548 54.821 55.300 0.115 0.000 0.853 266 M CB 2.237 34.972 32.600 0.224 0.000 1.748 266 M HN 0.802 nan 8.290 nan 0.000 0.469 267 H N -0.343 118.750 119.070 0.037 0.000 2.974 267 H HA 0.448 5.004 4.556 -0.000 0.000 0.366 267 H C -2.016 173.347 175.328 0.057 0.000 1.155 267 H CA -0.535 55.526 56.048 0.022 0.000 1.186 267 H CB 1.796 31.554 29.762 -0.006 0.000 1.799 267 H HN 0.770 nan 8.280 nan 0.000 0.541 268 D N 4.890 125.013 120.400 -0.462 0.000 2.468 268 D HA 0.009 4.649 4.640 -0.000 0.000 0.218 268 D C 0.743 176.710 176.300 -0.555 0.000 1.155 268 D CA -0.184 53.623 54.000 -0.323 0.000 0.924 268 D CB -0.068 40.590 40.800 -0.236 0.000 1.029 268 D HN 0.618 nan 8.370 nan 0.000 0.515 269 Y N 1.045 121.056 120.300 -0.481 0.000 2.352 269 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 269 Y C 1.282 176.877 175.900 -0.508 0.000 1.136 269 Y CA 0.848 58.683 58.100 -0.441 0.000 1.227 269 Y CB -0.414 37.880 38.460 -0.278 0.000 0.991 269 Y HN 0.237 nan 8.280 nan 0.000 0.545 270 L N 0.313 121.009 121.223 -0.878 0.000 2.202 270 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 270 L C 2.574 179.178 176.870 -0.443 0.000 1.083 270 L CA 1.354 55.705 54.840 -0.816 0.000 0.790 270 L CB -0.647 40.961 42.059 -0.751 0.000 0.942 270 L HN 0.406 nan 8.230 nan 0.000 0.452 271 T N -3.537 110.817 114.554 -0.333 0.000 2.978 271 T HA -0.001 4.349 4.350 -0.000 0.000 0.262 271 T C 1.884 176.470 174.700 -0.190 0.000 1.063 271 T CA 0.818 62.787 62.100 -0.218 0.000 1.140 271 T CB -0.470 68.299 68.868 -0.164 0.000 0.886 271 T HN 0.301 nan 8.240 nan 0.000 0.470 272 G N 1.409 110.063 108.800 -0.243 0.000 2.394 272 G HA2 0.430 4.390 3.960 -0.000 0.000 0.214 272 G HA3 0.430 4.390 3.960 -0.000 0.000 0.214 272 G C 0.863 175.729 174.900 -0.057 0.000 1.176 272 G CA 0.243 45.280 45.100 -0.104 0.000 0.786 272 G HN 1.239 nan 8.290 nan 0.000 0.533 273 G N -1.981 106.722 108.800 -0.160 0.000 2.539 273 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 273 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 273 G C 0.122 174.956 174.900 -0.110 0.000 1.258 273 G CA -0.175 44.813 45.100 -0.186 0.000 0.846 273 G HN 0.083 nan 8.290 nan 0.000 0.647 274 F N 0.617 120.557 119.950 -0.017 0.000 2.171 274 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 274 F C 3.115 178.935 175.800 0.034 0.000 1.090 274 F CA 2.322 60.328 58.000 0.010 0.000 1.293 274 F CB -0.593 38.361 39.000 -0.076 0.000 1.013 274 F HN 0.558 nan 8.300 nan 0.000 0.486 275 T N -0.145 114.527 114.554 0.196 0.000 2.674 275 T HA -0.202 4.148 4.350 -0.000 0.000 0.265 275 T C 2.326 177.070 174.700 0.073 0.000 1.039 275 T CA 1.477 63.648 62.100 0.117 0.000 1.150 275 T CB -0.736 68.180 68.868 0.080 0.000 0.864 275 T HN 0.283 nan 8.240 nan 0.000 0.427 276 A N 2.003 124.857 122.820 0.056 0.000 1.902 276 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 276 A C 2.270 179.820 177.584 -0.057 0.000 1.181 276 A CA 1.691 53.725 52.037 -0.005 0.000 0.623 276 A CB -0.838 18.172 19.000 0.017 0.000 0.818 276 A HN 0.551 nan 8.150 nan 0.000 0.443 277 N N -0.556 118.188 118.700 0.073 0.000 2.120 277 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 277 N C 1.641 177.176 175.510 0.042 0.000 1.024 277 N CA 2.065 55.158 53.050 0.073 0.000 0.852 277 N CB -0.177 38.471 38.487 0.269 0.000 1.003 277 N HN 0.443 nan 8.380 nan 0.000 0.424 278 T N 0.116 114.729 114.554 0.098 0.000 2.746 278 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 278 T C 2.129 176.849 174.700 0.032 0.000 1.039 278 T CA 1.258 63.407 62.100 0.083 0.000 1.142 278 T CB -0.332 68.606 68.868 0.117 0.000 0.866 278 T HN 0.203 nan 8.240 nan 0.000 0.444 279 S N 1.245 116.952 115.700 0.011 0.000 2.359 279 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 279 S C 1.936 176.531 174.600 -0.008 0.000 1.035 279 S CA 0.888 59.085 58.200 -0.004 0.000 1.018 279 S CB -0.515 62.669 63.200 -0.027 0.000 0.876 279 S HN 0.253 nan 8.310 nan 0.000 0.448 280 L N 1.629 122.807 121.223 -0.074 0.000 2.056 280 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 280 L C 2.350 179.226 176.870 0.010 0.000 1.078 280 L CA 1.791 56.583 54.840 -0.081 0.000 0.749 280 L CB -1.009 40.896 42.059 -0.257 0.000 0.901 280 L HN 0.252 nan 8.230 nan 0.000 0.433 281 A N -0.361 122.452 122.820 -0.012 0.000 1.902 281 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 281 A C 2.262 179.838 177.584 -0.013 0.000 1.181 281 A CA 2.074 54.102 52.037 -0.014 0.000 0.623 281 A CB -0.859 18.129 19.000 -0.020 0.000 0.818 281 A HN 0.491 nan 8.150 nan 0.000 0.443 282 I N -2.103 118.472 120.570 0.008 0.000 2.226 282 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 282 I C 2.447 178.573 176.117 0.015 0.000 1.100 282 I CA 1.766 63.067 61.300 0.001 0.000 1.374 282 I CB -0.412 37.596 38.000 0.012 0.000 1.057 282 I HN 0.539 nan 8.210 nan 0.000 0.413 283 Y N 0.920 121.192 120.300 -0.046 0.000 2.165 283 Y HA -0.339 4.211 4.550 -0.000 0.000 0.286 283 Y C 2.722 178.609 175.900 -0.021 0.000 1.155 283 Y CA 1.711 59.791 58.100 -0.033 0.000 1.164 283 Y CB -0.413 38.024 38.460 -0.038 0.000 0.978 283 Y HN 0.191 nan 8.280 nan 0.000 0.513 284 C N 0.123 119.476 119.300 0.088 0.000 2.429 284 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 284 C C 2.747 177.701 174.990 -0.060 0.000 1.262 284 C CA 1.400 60.444 59.018 0.043 0.000 1.733 284 C CB -1.219 26.565 27.740 0.073 0.000 2.010 284 C HN 0.587 nan 8.230 nan 0.000 0.483 285 R N 1.840 122.252 120.500 -0.147 0.000 2.083 285 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 285 R C 1.485 177.701 176.300 -0.140 0.000 1.137 285 R CA 2.085 58.055 56.100 -0.217 0.000 0.951 285 R CB -0.872 29.319 30.300 -0.182 0.000 0.851 285 R HN 0.435 nan 8.270 nan 0.000 0.434 286 D N -0.451 119.851 120.400 -0.164 0.000 2.312 286 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 286 D C 0.408 176.585 176.300 -0.206 0.000 0.964 286 D CA 0.782 54.679 54.000 -0.171 0.000 0.877 286 D CB 0.048 40.742 40.800 -0.176 0.000 0.924 286 D HN 0.369 nan 8.370 nan 0.000 0.515 287 N N -0.802 117.744 118.700 -0.258 0.000 2.159 287 N HA 0.109 4.849 4.740 -0.000 0.000 0.217 287 N C 0.842 176.320 175.510 -0.053 0.000 1.223 287 N CA 0.367 53.282 53.050 -0.225 0.000 0.896 287 N CB 1.983 40.180 38.487 -0.483 0.000 1.064 287 N HN 0.058 nan 8.380 nan 0.000 0.518 288 G N 1.750 110.576 108.800 0.043 0.000 2.198 288 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 288 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 288 G C -0.214 174.749 174.900 0.105 0.000 1.042 288 G CA 0.038 45.226 45.100 0.146 0.000 0.791 288 G HN 0.227 nan 8.290 nan 0.000 0.502 289 L N 0.026 121.352 121.223 0.172 0.000 2.289 289 L HA 0.550 4.890 4.340 -0.000 0.000 0.285 289 L C 1.187 178.148 176.870 0.152 0.000 1.049 289 L CA -1.040 53.871 54.840 0.118 0.000 0.804 289 L CB 1.227 43.366 42.059 0.132 0.000 1.195 289 L HN 0.084 nan 8.230 nan 0.000 0.428 290 L N 3.704 124.925 121.223 -0.003 0.000 2.439 290 L HA 0.184 4.524 4.340 -0.000 0.000 0.269 290 L C -0.389 176.429 176.870 -0.086 0.000 1.179 290 L CA -0.198 54.621 54.840 -0.036 0.000 0.828 290 L CB 0.799 42.763 42.059 -0.159 0.000 1.106 290 L HN 0.387 nan 8.230 nan 0.000 0.467 291 L N 2.783 123.921 121.223 -0.141 0.000 2.377 291 L HA 0.333 4.673 4.340 -0.000 0.000 0.270 291 L C -0.560 176.117 176.870 -0.321 0.000 0.991 291 L CA -0.249 54.490 54.840 -0.168 0.000 0.851 291 L CB 1.011 43.023 42.059 -0.079 0.000 1.218 291 L HN 0.459 nan 8.230 nan 0.000 0.420 292 H N 5.372 124.133 119.070 -0.516 0.000 2.620 292 H HA 0.544 5.100 4.556 -0.000 0.000 0.313 292 H C -0.804 174.390 175.328 -0.223 0.000 1.075 292 H CA -0.445 55.253 56.048 -0.584 0.000 1.397 292 H CB 0.732 29.843 29.762 -1.085 0.000 1.446 292 H HN 0.496 nan 8.280 nan 0.000 0.493 293 I N 5.881 126.080 120.570 -0.619 0.000 2.339 293 I HA 0.110 4.280 4.170 -0.000 0.000 0.290 293 I C 0.178 176.103 176.117 -0.321 0.000 0.994 293 I CA -0.382 60.711 61.300 -0.346 0.000 1.191 293 I CB 0.807 38.597 38.000 -0.349 0.000 1.343 293 I HN 0.726 nan 8.210 nan 0.000 0.458 294 H N 7.491 126.458 119.070 -0.171 0.000 2.473 294 H HA 0.312 4.868 4.556 -0.000 0.000 0.327 294 H C 0.343 175.626 175.328 -0.074 0.000 1.105 294 H CA -0.431 55.487 56.048 -0.216 0.000 1.280 294 H CB 1.413 31.087 29.762 -0.148 0.000 1.450 294 H HN 0.573 nan 8.280 nan 0.000 0.492 295 R N 3.094 123.374 120.500 -0.367 0.000 2.568 295 R HA 0.409 4.749 4.340 -0.000 0.000 0.288 295 R C 0.187 176.488 176.300 0.002 0.000 1.077 295 R CA -0.456 55.624 56.100 -0.033 0.000 1.102 295 R CB -0.017 30.226 30.300 -0.095 0.000 1.278 295 R HN 0.366 nan 8.270 nan 0.000 0.560 296 A N 1.580 124.506 122.820 0.177 0.000 2.598 296 A HA 0.023 4.343 4.320 -0.000 0.000 0.239 296 A C 0.981 178.566 177.584 0.001 0.000 1.032 296 A CA 1.005 53.139 52.037 0.163 0.000 0.760 296 A CB -0.179 18.896 19.000 0.124 0.000 0.946 296 A HN 0.874 nan 8.150 nan 0.000 0.512 297 M N 0.369 119.957 119.600 -0.020 0.000 2.995 297 M HA -0.308 4.172 4.480 -0.000 0.000 0.207 297 M C 1.046 177.286 176.300 -0.100 0.000 0.593 297 M CA 1.970 57.219 55.300 -0.085 0.000 0.791 297 M CB -2.055 30.479 32.600 -0.110 0.000 2.827 297 M HN 1.283 nan 8.290 nan 0.000 0.293 298 H N -0.613 118.389 119.070 -0.113 0.000 2.387 298 H HA 0.178 4.734 4.556 -0.000 0.000 0.299 298 H C 1.715 177.010 175.328 -0.056 0.000 1.099 298 H CA 2.116 58.124 56.048 -0.066 0.000 1.315 298 H CB -0.551 29.199 29.762 -0.020 0.000 1.380 298 H HN 0.507 nan 8.280 nan 0.000 0.513 299 A N 1.106 123.400 122.820 -0.876 0.000 2.119 299 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 299 A C 2.498 179.929 177.584 -0.255 0.000 1.153 299 A CA 0.974 52.650 52.037 -0.603 0.000 0.692 299 A CB -0.676 17.954 19.000 -0.616 0.000 0.799 299 A HN 0.359 nan 8.150 nan 0.000 0.458 300 V N -0.094 119.706 119.914 -0.190 0.000 2.392 300 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 300 V C 2.254 178.317 176.094 -0.052 0.000 1.059 300 V CA 2.245 64.486 62.300 -0.098 0.000 1.051 300 V CB -0.542 31.232 31.823 -0.080 0.000 0.658 300 V HN 0.621 nan 8.190 nan 0.000 0.455 301 I N 0.568 121.109 120.570 -0.049 0.000 2.731 301 I HA -0.030 4.140 4.170 -0.000 0.000 0.260 301 I C 1.762 177.889 176.117 0.017 0.000 1.138 301 I CA 1.185 62.483 61.300 -0.003 0.000 1.461 301 I CB -0.131 37.877 38.000 0.014 0.000 1.128 301 I HN 0.463 nan 8.210 nan 0.000 0.438 302 D N -0.389 120.008 120.400 -0.004 0.000 2.433 302 D HA -0.037 4.603 4.640 -0.000 0.000 0.211 302 D C 1.859 178.145 176.300 -0.023 0.000 1.114 302 D CA -0.011 53.995 54.000 0.010 0.000 0.837 302 D CB 0.025 40.871 40.800 0.078 0.000 0.984 302 D HN -0.062 nan 8.370 nan 0.000 0.505 303 R N 0.266 120.743 120.500 -0.037 0.000 2.062 303 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 303 R C 0.465 176.780 176.300 0.026 0.000 1.128 303 R CA 1.126 57.209 56.100 -0.029 0.000 0.960 303 R CB -0.178 30.086 30.300 -0.060 0.000 0.855 303 R HN 0.049 nan 8.270 nan 0.000 0.432 304 Q N 0.519 120.350 119.800 0.052 0.000 2.288 304 Q HA 0.072 4.412 4.340 -0.000 0.000 0.254 304 Q C 0.353 176.421 176.000 0.113 0.000 0.932 304 Q CA 0.067 55.919 55.803 0.080 0.000 0.902 304 Q CB 1.331 30.122 28.738 0.090 0.000 1.203 304 Q HN 0.246 nan 8.270 nan 0.000 0.415 305 R N 2.344 122.910 120.500 0.111 0.000 2.148 305 R HA -0.131 4.209 4.340 -0.000 0.000 0.227 305 R C 1.241 177.616 176.300 0.126 0.000 1.103 305 R CA 1.586 57.762 56.100 0.125 0.000 0.983 305 R CB 0.301 30.664 30.300 0.105 0.000 0.874 305 R HN 0.647 nan 8.270 nan 0.000 0.451 306 N N -1.181 117.597 118.700 0.130 0.000 2.405 306 N HA -0.100 4.640 4.740 -0.000 0.000 0.175 306 N C -0.337 175.300 175.510 0.213 0.000 1.051 306 N CA 0.609 53.743 53.050 0.140 0.000 0.899 306 N CB 0.129 38.687 38.487 0.118 0.000 1.000 306 N HN 0.265 nan 8.380 nan 0.000 0.451 307 H N -1.430 117.712 119.070 0.119 0.000 3.029 307 H HA 0.564 5.120 4.556 -0.000 0.000 0.358 307 H C 0.055 175.492 175.328 0.181 0.000 1.129 307 H CA 0.370 56.521 56.048 0.172 0.000 1.230 307 H CB 1.483 31.332 29.762 0.146 0.000 1.827 307 H HN 0.330 nan 8.280 nan 0.000 0.530 308 G N 2.440 111.212 108.800 -0.046 0.000 2.255 308 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.216 308 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.216 308 G C -1.556 173.364 174.900 0.033 0.000 1.307 308 G CA -0.311 44.790 45.100 0.001 0.000 1.162 308 G HN 0.651 nan 8.290 nan 0.000 0.494 309 I N 0.949 121.532 120.570 0.022 0.000 2.534 309 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 309 I C 0.144 176.322 176.117 0.102 0.000 1.077 309 I CA -0.880 60.447 61.300 0.045 0.000 1.051 309 I CB 2.003 40.000 38.000 -0.004 0.000 1.234 309 I HN 0.676 nan 8.210 nan 0.000 0.425 310 H N 4.830 123.930 119.070 0.051 0.000 2.871 310 H HA -0.010 4.546 4.556 -0.000 0.000 0.355 310 H C 0.452 175.852 175.328 0.120 0.000 1.092 310 H CA 0.722 56.834 56.048 0.106 0.000 1.420 310 H CB 1.037 30.856 29.762 0.095 0.000 1.400 310 H HN 0.654 nan 8.280 nan 0.000 0.604 311 F N 5.247 125.008 119.950 -0.316 0.000 2.250 311 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 311 F C 2.589 178.311 175.800 -0.131 0.000 1.077 311 F CA 1.684 59.556 58.000 -0.213 0.000 1.348 311 F CB -0.102 38.649 39.000 -0.415 0.000 1.040 311 F HN 0.679 nan 8.300 nan 0.000 0.509 312 R N -0.338 120.231 120.500 0.115 0.000 2.127 312 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 312 R C 1.763 178.022 176.300 -0.068 0.000 1.134 312 R CA 1.973 58.085 56.100 0.020 0.000 0.975 312 R CB -1.439 29.068 30.300 0.346 0.000 0.865 312 R HN 0.296 nan 8.270 nan 0.000 0.447 313 V N 1.878 121.789 119.914 -0.004 0.000 2.379 313 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 313 V C 2.472 178.589 176.094 0.037 0.000 1.044 313 V CA 1.433 63.736 62.300 0.004 0.000 1.036 313 V CB -0.402 31.409 31.823 -0.019 0.000 0.664 313 V HN 0.273 nan 8.190 nan 0.000 0.453 314 L N 0.234 121.439 121.223 -0.030 0.000 2.131 314 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 314 L C 2.674 179.441 176.870 -0.172 0.000 1.092 314 L CA 1.415 56.286 54.840 0.052 0.000 0.759 314 L CB -0.786 41.311 42.059 0.064 0.000 0.903 314 L HN 0.368 nan 8.230 nan 0.000 0.435 315 A N 0.143 122.574 122.820 -0.648 0.000 1.897 315 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 315 A C 2.355 179.819 177.584 -0.200 0.000 1.181 315 A CA 1.222 52.916 52.037 -0.572 0.000 0.620 315 A CB -0.238 18.313 19.000 -0.749 0.000 0.821 315 A HN 0.257 nan 8.150 nan 0.000 0.443 316 K N -0.173 120.202 120.400 -0.042 0.000 2.063 316 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 316 K C 2.311 178.966 176.600 0.091 0.000 1.048 316 K CA 1.188 57.580 56.287 0.175 0.000 0.928 316 K CB -0.347 32.286 32.500 0.222 0.000 0.713 316 K HN 0.435 nan 8.250 nan 0.000 0.442 317 A N 1.900 124.760 122.820 0.066 0.000 1.902 317 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 317 A C 2.063 179.652 177.584 0.009 0.000 1.181 317 A CA 1.100 53.140 52.037 0.006 0.000 0.623 317 A CB -0.567 18.468 19.000 0.059 0.000 0.818 317 A HN 0.248 nan 8.150 nan 0.000 0.443 318 L N -0.381 120.857 121.223 0.026 0.000 2.056 318 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 318 L C 2.503 179.250 176.870 -0.206 0.000 1.078 318 L CA 2.347 57.084 54.840 -0.172 0.000 0.749 318 L CB -0.853 40.847 42.059 -0.598 0.000 0.901 318 L HN 0.545 nan 8.230 nan 0.000 0.433 319 R N -0.536 119.822 120.500 -0.238 0.000 2.105 319 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 319 R C 2.312 178.457 176.300 -0.258 0.000 1.135 319 R CA 1.900 57.805 56.100 -0.325 0.000 0.967 319 R CB -0.117 29.825 30.300 -0.597 0.000 0.861 319 R HN 0.371 nan 8.270 nan 0.000 0.442 320 M N -0.991 118.471 119.600 -0.229 0.000 2.123 320 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 320 M C 2.505 178.707 176.300 -0.163 0.000 1.069 320 M CA 1.729 56.803 55.300 -0.378 0.000 1.133 320 M CB -0.208 31.874 32.600 -0.863 0.000 1.356 320 M HN 0.133 nan 8.290 nan 0.000 0.415 321 S N -0.320 115.339 115.700 -0.069 0.000 2.368 321 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 321 S C 0.837 175.469 174.600 0.053 0.000 1.029 321 S CA 1.226 59.483 58.200 0.096 0.000 0.988 321 S CB -0.332 63.015 63.200 0.245 0.000 0.838 321 S HN 0.661 nan 8.310 nan 0.000 0.462 322 G N -1.488 107.291 108.800 -0.035 0.000 3.239 322 G HA2 0.419 4.379 3.960 -0.000 0.000 0.666 322 G HA3 0.419 4.379 3.960 -0.000 0.000 0.666 322 G C -0.337 174.496 174.900 -0.111 0.000 1.313 322 G CA -0.460 44.598 45.100 -0.070 0.000 1.001 322 G HN 1.014 nan 8.290 nan 0.000 0.573 323 G N 0.678 109.390 108.800 -0.147 0.000 2.691 323 G HA2 0.592 4.552 3.960 -0.000 0.000 0.298 323 G HA3 0.592 4.552 3.960 -0.000 0.000 0.298 323 G C -0.103 174.711 174.900 -0.143 0.000 1.471 323 G CA 0.163 45.163 45.100 -0.168 0.000 0.912 323 G HN 0.336 nan 8.290 nan 0.000 0.553 324 D N -0.124 120.197 120.400 -0.132 0.000 2.213 324 D HA 0.068 4.708 4.640 -0.000 0.000 0.205 324 D C 0.437 176.784 176.300 0.078 0.000 0.961 324 D CA 1.120 55.088 54.000 -0.054 0.000 0.853 324 D CB 0.296 41.055 40.800 -0.069 0.000 0.967 324 D HN 0.595 nan 8.370 nan 0.000 0.496 325 H N -0.864 118.076 119.070 -0.217 0.000 2.679 325 H HA 0.560 5.116 4.556 -0.000 0.000 0.367 325 H C -1.089 174.041 175.328 -0.331 0.000 1.162 325 H CA -1.089 54.807 56.048 -0.253 0.000 1.181 325 H CB 2.689 32.287 29.762 -0.273 0.000 1.693 325 H HN -0.128 nan 8.280 nan 0.000 0.538 326 L N 1.661 122.810 121.223 -0.125 0.000 2.482 326 L HA 0.226 4.566 4.340 -0.000 0.000 0.263 326 L C -0.863 175.981 176.870 -0.044 0.000 0.957 326 L CA -0.400 54.361 54.840 -0.132 0.000 0.836 326 L CB 1.668 43.655 42.059 -0.121 0.000 1.324 326 L HN 0.711 nan 8.230 nan 0.000 0.406 327 H N 2.462 121.412 119.070 -0.201 0.000 2.928 327 H HA 0.185 4.741 4.556 -0.000 0.000 0.338 327 H C 0.280 175.520 175.328 -0.146 0.000 1.047 327 H CA 0.794 56.725 56.048 -0.195 0.000 1.435 327 H CB 1.067 30.640 29.762 -0.315 0.000 1.428 327 H HN 0.778 nan 8.280 nan 0.000 0.590 328 S N 1.739 117.445 115.700 0.010 0.000 2.559 328 S HA 0.305 4.775 4.470 -0.000 0.000 0.226 328 S C 0.971 175.702 174.600 0.218 0.000 1.030 328 S CA 0.135 58.478 58.200 0.239 0.000 0.956 328 S CB 1.195 64.626 63.200 0.385 0.000 0.900 328 S HN 1.078 nan 8.310 nan 0.000 0.510 329 G N 0.998 109.821 108.800 0.038 0.000 2.663 329 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.686 329 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.686 329 G C 0.211 175.185 174.900 0.124 0.000 1.288 329 G CA 0.180 45.314 45.100 0.058 0.000 0.836 329 G HN 0.976 nan 8.290 nan 0.000 0.584 330 T N -3.215 111.380 114.554 0.069 0.000 2.958 330 T HA 0.461 4.811 4.350 -0.000 0.000 0.256 330 T C 1.831 176.579 174.700 0.080 0.000 0.983 330 T CA 1.330 63.474 62.100 0.073 0.000 0.924 330 T CB 0.461 69.265 68.868 -0.106 0.000 1.136 330 T HN 2.277 nan 8.240 nan 0.000 0.506 331 V N 0.923 120.860 119.914 0.039 0.000 0.481 331 V HA -0.337 3.783 4.120 -0.000 0.000 0.092 331 V C 2.054 178.145 176.094 -0.004 0.000 2.400 331 V CA 2.093 64.398 62.300 0.009 0.000 3.646 331 V CB -1.940 29.872 31.823 -0.019 0.000 0.927 331 V HN 0.739 nan 8.190 nan 0.000 0.973 332 V N -1.344 118.534 119.914 -0.061 0.000 3.660 332 V HA 0.692 4.812 4.120 -0.000 0.000 0.276 332 V C 1.238 177.219 176.094 -0.188 0.000 1.317 332 V CA 1.227 63.466 62.300 -0.102 0.000 1.097 332 V CB 0.025 31.756 31.823 -0.153 0.000 0.863 332 V HN 0.902 nan 8.190 nan 0.000 0.438 333 G N 1.361 110.017 108.800 -0.240 0.000 2.509 333 G HA2 0.285 4.245 3.960 -0.000 0.000 0.269 333 G HA3 0.285 4.245 3.960 -0.000 0.000 0.269 333 G C 0.721 175.332 174.900 -0.481 0.000 1.416 333 G CA 0.039 44.922 45.100 -0.361 0.000 1.052 333 G HN 0.484 nan 8.290 nan 0.000 0.542 334 K N -1.244 118.665 120.400 -0.819 0.000 2.432 334 K HA 0.167 4.487 4.320 -0.000 0.000 0.196 334 K C 0.145 176.552 176.600 -0.320 0.000 1.038 334 K CA 0.319 56.092 56.287 -0.858 0.000 0.986 334 K CB -0.196 31.780 32.500 -0.873 0.000 0.782 334 K HN 0.181 nan 8.250 nan 0.000 0.485 335 L N 1.759 122.848 121.223 -0.223 0.000 2.334 335 L HA 0.316 4.656 4.340 -0.000 0.000 0.273 335 L C -0.118 176.717 176.870 -0.059 0.000 1.013 335 L CA -0.949 53.819 54.840 -0.121 0.000 0.816 335 L CB 1.859 43.862 42.059 -0.094 0.000 1.278 335 L HN 0.095 nan 8.230 nan 0.000 0.431 336 E N 0.928 121.108 120.200 -0.033 0.000 2.373 336 E HA 0.521 4.871 4.350 -0.000 0.000 0.267 336 E C -0.415 176.210 176.600 0.042 0.000 1.032 336 E CA -0.127 56.281 56.400 0.013 0.000 0.889 336 E CB 0.887 30.592 29.700 0.010 0.000 0.984 336 E HN 0.753 nan 8.360 nan 0.000 0.425 337 G N 3.881 112.720 108.800 0.066 0.000 2.030 337 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.309 337 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.309 337 G C -1.189 173.755 174.900 0.073 0.000 1.668 337 G CA -0.774 44.385 45.100 0.099 0.000 0.926 337 G HN 0.478 nan 8.290 nan 0.000 0.652 338 E N 2.168 122.416 120.200 0.080 0.000 2.354 338 E HA 0.170 4.520 4.350 -0.000 0.000 0.269 338 E C 1.512 178.106 176.600 -0.010 0.000 1.036 338 E CA -0.650 55.777 56.400 0.044 0.000 0.876 338 E CB 1.083 30.820 29.700 0.061 0.000 1.009 338 E HN 0.589 nan 8.360 nan 0.000 0.416 339 R N 3.037 123.516 120.500 -0.035 0.000 2.112 339 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 339 R C 1.396 177.623 176.300 -0.122 0.000 1.137 339 R CA 1.925 57.970 56.100 -0.093 0.000 0.944 339 R CB 0.048 30.303 30.300 -0.075 0.000 0.857 339 R HN 0.510 nan 8.270 nan 0.000 0.435 340 E N 0.011 120.165 120.200 -0.077 0.000 2.106 340 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 340 E C 2.140 178.685 176.600 -0.091 0.000 0.984 340 E CA 1.046 57.399 56.400 -0.079 0.000 0.806 340 E CB -0.224 29.449 29.700 -0.045 0.000 0.750 340 E HN 0.245 nan 8.360 nan 0.000 0.458 341 V N 1.673 121.557 119.914 -0.050 0.000 2.295 341 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 341 V C 2.441 178.353 176.094 -0.303 0.000 1.049 341 V CA 1.517 63.813 62.300 -0.007 0.000 1.024 341 V CB -0.446 31.487 31.823 0.183 0.000 0.648 341 V HN 0.193 nan 8.190 nan 0.000 0.447 342 I N -0.582 119.730 120.570 -0.429 0.000 2.252 342 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 342 I C 2.341 178.022 176.117 -0.727 0.000 1.102 342 I CA 1.458 62.229 61.300 -0.883 0.000 1.385 342 I CB -0.291 37.483 38.000 -0.375 0.000 1.064 342 I HN 0.258 nan 8.210 nan 0.000 0.414 343 L N 0.443 121.422 121.223 -0.406 0.000 2.079 343 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 343 L C 2.649 179.400 176.870 -0.197 0.000 1.081 343 L CA 1.546 56.220 54.840 -0.277 0.000 0.752 343 L CB -1.151 40.787 42.059 -0.202 0.000 0.896 343 L HN 0.335 nan 8.230 nan 0.000 0.433 344 G N 0.993 109.677 108.800 -0.193 0.000 2.453 344 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.215 344 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.215 344 G C 1.277 176.203 174.900 0.044 0.000 1.201 344 G CA 1.034 46.099 45.100 -0.058 0.000 0.784 344 G HN 0.480 nan 8.290 nan 0.000 0.545 345 F N 0.628 120.658 119.950 0.135 0.000 2.558 345 F HA 0.259 4.786 4.527 -0.000 0.000 0.298 345 F C 2.169 178.052 175.800 0.137 0.000 1.119 345 F CA -0.080 58.012 58.000 0.154 0.000 1.451 345 F CB -0.878 38.246 39.000 0.208 0.000 1.091 345 F HN -0.006 nan 8.300 nan 0.000 0.563 346 V N 1.364 121.368 119.914 0.150 0.000 2.343 346 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 346 V C 2.135 178.309 176.094 0.134 0.000 1.051 346 V CA 2.348 64.757 62.300 0.182 0.000 1.036 346 V CB -0.693 31.188 31.823 0.097 0.000 0.654 346 V HN 0.235 nan 8.190 nan 0.000 0.451 347 D N 0.038 120.495 120.400 0.095 0.000 2.117 347 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 347 D C 2.097 178.490 176.300 0.155 0.000 0.987 347 D CA 1.178 55.240 54.000 0.103 0.000 0.829 347 D CB -0.284 40.565 40.800 0.081 0.000 0.961 347 D HN 0.336 nan 8.370 nan 0.000 0.460 348 L N -0.225 121.127 121.223 0.214 0.000 2.131 348 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 348 L C 2.426 179.401 176.870 0.175 0.000 1.092 348 L CA 0.747 55.780 54.840 0.322 0.000 0.759 348 L CB -0.229 42.039 42.059 0.348 0.000 0.903 348 L HN 0.055 nan 8.230 nan 0.000 0.435 349 M N -1.415 118.233 119.600 0.080 0.000 2.236 349 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 349 M C 2.268 178.469 176.300 -0.165 0.000 1.070 349 M CA 1.538 56.789 55.300 -0.082 0.000 1.137 349 M CB -0.045 32.576 32.600 0.035 0.000 1.378 349 M HN 0.101 nan 8.290 nan 0.000 0.426 350 R N -0.494 119.975 120.500 -0.052 0.000 2.146 350 R HA 0.094 4.434 4.340 -0.000 0.000 0.206 350 R C -0.039 176.241 176.300 -0.034 0.000 1.049 350 R CA 0.314 56.389 56.100 -0.042 0.000 1.029 350 R CB 0.203 30.518 30.300 0.024 0.000 0.949 350 R HN 0.248 nan 8.270 nan 0.000 0.471 351 D N 0.206 120.621 120.400 0.025 0.000 2.348 351 D HA 0.006 4.646 4.640 -0.000 0.000 0.249 351 D C 0.295 176.695 176.300 0.166 0.000 1.110 351 D CA -0.059 54.001 54.000 0.100 0.000 0.967 351 D CB 1.161 42.049 40.800 0.147 0.000 1.139 351 D HN -0.107 nan 8.370 nan 0.000 0.466 352 D N -1.100 119.429 120.400 0.215 0.000 2.213 352 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 352 D C -0.646 175.909 176.300 0.425 0.000 0.961 352 D CA 0.612 54.793 54.000 0.301 0.000 0.853 352 D CB 0.273 41.202 40.800 0.215 0.000 0.967 352 D HN 0.323 nan 8.370 nan 0.000 0.496 353 Y N -0.209 120.211 120.300 0.199 0.000 2.362 353 Y HA 0.453 5.003 4.550 -0.000 0.000 0.326 353 Y C -1.695 174.281 175.900 0.126 0.000 1.083 353 Y CA -0.954 57.229 58.100 0.138 0.000 1.073 353 Y CB 1.645 40.156 38.460 0.084 0.000 1.211 353 Y HN -0.326 nan 8.280 nan 0.000 0.433 354 V N 6.005 125.830 119.914 -0.149 0.000 2.443 354 V HA 0.324 4.444 4.120 -0.000 0.000 0.293 354 V C -0.504 175.487 176.094 -0.173 0.000 1.021 354 V CA -1.007 61.268 62.300 -0.042 0.000 0.848 354 V CB 1.488 33.346 31.823 0.059 0.000 0.998 354 V HN 0.720 nan 8.190 nan 0.000 0.424 355 E N 2.786 122.958 120.200 -0.046 0.000 2.366 355 E HA 0.186 4.536 4.350 -0.000 0.000 0.266 355 E C -0.004 176.584 176.600 -0.020 0.000 1.051 355 E CA -0.600 55.782 56.400 -0.030 0.000 0.884 355 E CB 1.374 31.119 29.700 0.075 0.000 1.006 355 E HN 0.541 nan 8.360 nan 0.000 0.417 356 K N 1.977 122.366 120.400 -0.018 0.000 2.530 356 K HA -0.150 4.170 4.320 -0.000 0.000 0.280 356 K C -0.679 175.898 176.600 -0.038 0.000 1.004 356 K CA 0.786 57.059 56.287 -0.023 0.000 1.071 356 K CB 0.277 32.765 32.500 -0.020 0.000 0.876 356 K HN 0.374 nan 8.250 nan 0.000 0.487 357 D N 3.769 124.130 120.400 -0.066 0.000 2.362 357 D HA 0.139 4.779 4.640 -0.000 0.000 0.232 357 D C 0.225 176.450 176.300 -0.125 0.000 1.329 357 D CA -0.467 53.489 54.000 -0.073 0.000 0.944 357 D CB 0.551 41.327 40.800 -0.040 0.000 1.471 357 D HN 0.488 nan 8.370 nan 0.000 0.533 358 R N 0.743 121.136 120.500 -0.180 0.000 2.189 358 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 358 R C 1.789 177.977 176.300 -0.186 0.000 1.092 358 R CA 1.107 57.042 56.100 -0.276 0.000 0.989 358 R CB -0.468 29.643 30.300 -0.314 0.000 0.876 358 R HN 0.492 nan 8.270 nan 0.000 0.457 359 S N 0.166 115.796 115.700 -0.117 0.000 2.507 359 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 359 S C 1.487 176.047 174.600 -0.066 0.000 0.988 359 S CA 0.587 58.740 58.200 -0.079 0.000 0.944 359 S CB 0.019 63.185 63.200 -0.058 0.000 0.762 359 S HN 0.261 nan 8.310 nan 0.000 0.526 360 R N 0.066 120.523 120.500 -0.071 0.000 2.543 360 R HA 0.317 4.657 4.340 -0.000 0.000 0.323 360 R C 1.105 177.383 176.300 -0.037 0.000 1.002 360 R CA 0.291 56.361 56.100 -0.051 0.000 1.106 360 R CB 0.454 30.727 30.300 -0.046 0.000 1.280 360 R HN 0.498 nan 8.270 nan 0.000 0.549 361 G N 1.839 110.594 108.800 -0.074 0.000 2.153 361 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 361 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 361 G C 0.110 175.032 174.900 0.037 0.000 0.994 361 G CA -0.071 45.001 45.100 -0.046 0.000 0.698 361 G HN 0.278 nan 8.290 nan 0.000 0.521 362 I N 0.647 121.198 120.570 -0.031 0.000 2.287 362 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 362 I C 1.233 177.317 176.117 -0.054 0.000 1.069 362 I CA -0.920 60.402 61.300 0.036 0.000 1.237 362 I CB 0.498 38.514 38.000 0.027 0.000 1.418 362 I HN 0.064 nan 8.210 nan 0.000 0.481 363 Y N 5.197 125.381 120.300 -0.193 0.000 2.475 363 Y HA 0.172 4.722 4.550 -0.000 0.000 0.289 363 Y C 0.248 175.795 175.900 -0.588 0.000 1.121 363 Y CA 0.506 58.353 58.100 -0.422 0.000 1.257 363 Y CB 0.034 38.109 38.460 -0.641 0.000 1.026 363 Y HN 0.302 nan 8.280 nan 0.000 0.555 364 F N -1.717 118.328 119.950 0.158 0.000 2.576 364 F HA 0.377 4.904 4.527 -0.000 0.000 0.313 364 F C 0.230 176.009 175.800 -0.035 0.000 1.078 364 F CA -1.778 56.260 58.000 0.063 0.000 0.921 364 F CB 0.988 40.016 39.000 0.047 0.000 1.232 364 F HN -0.499 nan 8.300 nan 0.000 0.459 365 T N 1.840 116.463 114.554 0.114 0.000 2.853 365 T HA 0.201 4.551 4.350 -0.000 0.000 0.298 365 T C -0.379 174.205 174.700 -0.192 0.000 0.978 365 T CA 0.053 62.098 62.100 -0.093 0.000 1.152 365 T CB 0.437 69.234 68.868 -0.118 0.000 0.914 365 T HN 0.422 nan 8.240 nan 0.000 0.539 366 Q N 2.889 122.491 119.800 -0.330 0.000 2.341 366 Q HA 0.328 4.668 4.340 -0.000 0.000 0.268 366 Q C -1.346 174.315 176.000 -0.566 0.000 1.013 366 Q CA -0.664 54.877 55.803 -0.437 0.000 0.798 366 Q CB 1.159 29.658 28.738 -0.398 0.000 1.253 366 Q HN 0.487 nan 8.270 nan 0.000 0.457 367 D N 3.917 124.033 120.400 -0.474 0.000 2.349 367 D HA 0.256 4.896 4.640 -0.000 0.000 0.232 367 D C -1.103 175.073 176.300 -0.206 0.000 1.071 367 D CA -0.228 53.658 54.000 -0.191 0.000 0.832 367 D CB 0.414 41.239 40.800 0.042 0.000 1.086 367 D HN 0.471 nan 8.370 nan 0.000 0.504 371 M N 4.098 123.775 119.600 0.128 0.000 2.252 371 M HA 0.272 4.752 4.480 -0.000 0.000 0.348 371 M C -2.722 173.558 176.300 -0.034 0.000 1.334 371 M CA -1.107 54.228 55.300 0.058 0.000 1.071 371 M CB -0.315 32.347 32.600 0.104 0.000 1.763 371 M HN -0.141 nan 8.290 nan 0.000 0.452 372 P HA 0.185 nan 4.420 nan 0.000 0.267 372 P C -0.383 176.824 177.300 -0.154 0.000 1.200 372 P CA -0.051 63.007 63.100 -0.070 0.000 0.772 372 P CB 0.319 31.990 31.700 -0.049 0.000 0.855 373 G N 0.984 109.710 108.800 -0.122 0.000 2.476 373 G HA2 0.432 4.392 3.960 -0.000 0.000 0.269 373 G HA3 0.432 4.392 3.960 -0.000 0.000 0.269 373 G C -0.785 174.038 174.900 -0.128 0.000 1.195 373 G CA -0.388 44.614 45.100 -0.163 0.000 0.843 373 G HN 0.359 nan 8.290 nan 0.000 0.545 374 V N 2.757 122.579 119.914 -0.154 0.000 2.427 374 V HA 0.315 4.435 4.120 -0.000 0.000 0.286 374 V C 0.494 176.554 176.094 -0.057 0.000 1.034 374 V CA -0.655 61.580 62.300 -0.108 0.000 0.893 374 V CB 1.605 33.331 31.823 -0.162 0.000 0.982 374 V HN 0.831 nan 8.190 nan 0.000 0.452 375 M N 8.659 128.241 119.600 -0.029 0.000 2.227 375 M HA 0.294 4.774 4.480 -0.000 0.000 0.349 375 M C -2.302 173.929 176.300 -0.115 0.000 1.443 375 M CA -1.390 53.865 55.300 -0.075 0.000 1.110 375 M CB 1.108 33.618 32.600 -0.150 0.000 1.773 375 M HN 0.384 nan 8.290 nan 0.000 0.463 376 P HA 0.127 nan 4.420 nan 0.000 0.275 376 P C -1.269 175.875 177.300 -0.259 0.000 1.227 376 P CA -0.258 62.796 63.100 -0.076 0.000 0.781 376 P CB 0.820 32.564 31.700 0.072 0.000 0.906 377 V N 2.818 122.552 119.914 -0.299 0.000 2.378 377 V HA 0.496 4.616 4.120 -0.000 0.000 0.288 377 V C 0.423 176.217 176.094 -0.500 0.000 1.016 377 V CA -0.833 61.200 62.300 -0.444 0.000 0.840 377 V CB 1.238 32.755 31.823 -0.510 0.000 0.994 377 V HN 0.683 nan 8.190 nan 0.000 0.431 378 A N 3.873 126.342 122.820 -0.586 0.000 2.269 378 A HA 0.807 5.127 4.320 -0.000 0.000 0.302 378 A C 0.070 177.400 177.584 -0.423 0.000 1.266 378 A CA -0.188 51.539 52.037 -0.517 0.000 0.894 378 A CB 0.919 19.488 19.000 -0.719 0.000 1.147 378 A HN 0.827 nan 8.150 nan 0.000 0.537 379 S N 1.585 117.105 115.700 -0.300 0.000 2.533 379 S HA 0.741 5.211 4.470 -0.000 0.000 0.271 379 S C -0.511 173.991 174.600 -0.164 0.000 1.143 379 S CA 0.389 58.444 58.200 -0.242 0.000 0.891 379 S CB 1.313 64.442 63.200 -0.120 0.000 1.105 379 S HN 2.573 nan 8.310 nan 0.000 0.468 380 G N 1.758 110.445 108.800 -0.188 0.000 2.949 380 G HA2 0.445 4.405 3.960 -0.000 0.000 0.658 380 G HA3 0.445 4.405 3.960 -0.000 0.000 0.658 380 G C 0.836 175.577 174.900 -0.266 0.000 1.194 380 G CA 0.299 45.297 45.100 -0.170 0.000 1.204 380 G HN 2.130 nan 8.290 nan 0.000 0.524 381 G N 0.275 108.938 108.800 -0.229 0.000 2.176 381 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.252 381 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.252 381 G C 0.609 175.469 174.900 -0.068 0.000 1.024 381 G CA 0.974 45.916 45.100 -0.264 0.000 0.755 381 G HN 2.300 nan 8.290 nan 0.000 0.507 382 I N -1.961 118.562 120.570 -0.079 0.000 2.577 382 I HA 0.952 5.122 4.170 -0.000 0.000 0.305 382 I C 0.222 176.543 176.117 0.341 0.000 0.986 382 I CA -1.306 60.038 61.300 0.075 0.000 1.189 382 I CB 1.570 39.450 38.000 -0.200 0.000 1.355 382 I HN 0.340 nan 8.210 nan 0.000 0.476 383 H N 1.615 121.039 119.070 0.590 0.000 2.947 383 H HA 0.456 5.012 4.556 -0.000 0.000 0.290 383 H C 0.653 176.102 175.328 0.201 0.000 1.430 383 H CA -0.424 55.750 56.048 0.210 0.000 1.189 383 H CB 0.547 30.155 29.762 -0.256 0.000 1.875 383 H HN 0.352 nan 8.280 nan 0.000 0.568 384 V N -2.815 117.231 119.914 0.220 0.000 2.380 384 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 384 V C 1.386 177.470 176.094 -0.018 0.000 1.063 384 V CA 1.878 64.167 62.300 -0.018 0.000 1.055 384 V CB -1.276 30.460 31.823 -0.146 0.000 0.657 384 V HN 0.783 nan 8.190 nan 0.000 0.455 385 W N -0.203 121.217 121.300 0.201 0.000 2.465 385 W HA 0.001 4.661 4.660 -0.000 0.000 0.268 385 W C 2.633 179.118 176.519 -0.057 0.000 1.242 385 W CA 1.217 58.595 57.345 0.055 0.000 1.248 385 W CB -0.474 29.052 29.460 0.110 0.000 1.118 385 W HN 0.360 nan 8.180 nan 0.000 0.587 386 H N -0.850 118.328 119.070 0.182 0.000 2.547 386 H HA -0.012 4.544 4.556 -0.000 0.000 0.272 386 H C 1.891 177.309 175.328 0.150 0.000 0.989 386 H CA 1.052 57.168 56.048 0.113 0.000 1.214 386 H CB -0.452 29.320 29.762 0.016 0.000 1.389 386 H HN 0.180 nan 8.280 nan 0.000 0.577 387 M N 1.437 121.184 119.600 0.244 0.000 2.082 387 M HA -0.073 4.407 4.480 -0.000 0.000 0.258 387 M C -0.937 175.458 176.300 0.159 0.000 1.069 387 M CA 1.609 57.026 55.300 0.196 0.000 1.102 387 M CB -0.859 31.795 32.600 0.090 0.000 1.336 387 M HN 0.058 nan 8.290 nan 0.000 0.404 388 P HA -0.074 nan 4.420 nan 0.000 0.215 388 P C 1.141 178.514 177.300 0.122 0.000 1.153 388 P CA 2.176 65.344 63.100 0.115 0.000 0.853 388 P CB -0.348 31.420 31.700 0.112 0.000 0.788 389 A N -0.642 122.266 122.820 0.147 0.000 1.902 389 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 389 A C 2.230 179.892 177.584 0.131 0.000 1.181 389 A CA 1.490 53.602 52.037 0.125 0.000 0.623 389 A CB -1.680 17.407 19.000 0.145 0.000 0.818 389 A HN 0.105 nan 8.150 nan 0.000 0.443 390 L N -0.636 120.703 121.223 0.193 0.000 2.017 390 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 390 L C 2.532 179.579 176.870 0.294 0.000 1.073 390 L CA 1.154 56.166 54.840 0.287 0.000 0.745 390 L CB -0.603 41.608 42.059 0.253 0.000 0.894 390 L HN 0.243 nan 8.230 nan 0.000 0.432 391 V N -0.349 119.680 119.914 0.192 0.000 2.407 391 V HA -0.260 3.859 4.120 -0.000 0.000 0.248 391 V C 2.579 178.741 176.094 0.113 0.000 1.055 391 V CA 1.796 64.186 62.300 0.150 0.000 1.049 391 V CB -0.533 31.353 31.823 0.106 0.000 0.662 391 V HN 0.490 nan 8.190 nan 0.000 0.455 392 E N 0.242 120.492 120.200 0.082 0.000 2.072 392 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 392 E C 2.160 178.749 176.600 -0.019 0.000 0.985 392 E CA 1.509 57.930 56.400 0.034 0.000 0.801 392 E CB -0.082 29.636 29.700 0.029 0.000 0.750 392 E HN 0.619 nan 8.360 nan 0.000 0.452 393 I N -0.451 120.080 120.570 -0.065 0.000 2.233 393 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 393 I C 1.921 177.815 176.117 -0.372 0.000 1.093 393 I CA 1.044 62.167 61.300 -0.295 0.000 1.380 393 I CB -0.175 37.512 38.000 -0.521 0.000 1.067 393 I HN 0.025 nan 8.210 nan 0.000 0.413 394 F N 0.246 120.194 119.950 -0.005 0.000 2.582 394 F HA 0.336 4.863 4.527 -0.000 0.000 0.290 394 F C 1.652 177.454 175.800 0.003 0.000 1.115 394 F CA 0.575 58.571 58.000 -0.007 0.000 1.445 394 F CB -0.601 38.392 39.000 -0.013 0.000 1.126 394 F HN 0.139 nan 8.300 nan 0.000 0.574 395 G N 0.807 109.709 108.800 0.169 0.000 2.645 395 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 395 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 395 G C 0.287 175.259 174.900 0.120 0.000 1.322 395 G CA 0.226 45.395 45.100 0.115 0.000 0.898 395 G HN 0.169 nan 8.290 nan 0.000 0.573 396 D N 0.560 121.012 120.400 0.087 0.000 2.183 396 D HA 0.069 4.709 4.640 -0.000 0.000 0.203 396 D C 0.946 177.284 176.300 0.064 0.000 0.969 396 D CA 1.176 55.219 54.000 0.073 0.000 0.842 396 D CB -0.125 40.716 40.800 0.068 0.000 0.957 396 D HN 0.367 nan 8.370 nan 0.000 0.484 397 D N 0.836 121.279 120.400 0.071 0.000 2.608 397 D HA 0.458 5.098 4.640 -0.000 0.000 0.224 397 D C -0.361 175.956 176.300 0.029 0.000 1.123 397 D CA 0.148 54.178 54.000 0.050 0.000 1.030 397 D CB 0.101 40.935 40.800 0.057 0.000 1.093 397 D HN 0.024 nan 8.370 nan 0.000 0.497 398 A N 0.314 123.120 122.820 -0.023 0.000 2.608 398 A HA 0.481 4.801 4.320 -0.000 0.000 0.292 398 A C -1.161 176.329 177.584 -0.157 0.000 1.066 398 A CA -0.769 51.190 52.037 -0.131 0.000 0.676 398 A CB 1.368 20.254 19.000 -0.189 0.000 1.277 398 A HN 0.380 nan 8.150 nan 0.000 0.413 399 C N 2.122 121.275 119.300 -0.245 0.000 2.329 399 C HA 0.775 5.235 4.460 -0.000 0.000 0.329 399 C C -0.652 174.196 174.990 -0.237 0.000 1.275 399 C CA -0.532 58.385 59.018 -0.168 0.000 1.726 399 C CB -0.998 26.642 27.740 -0.166 0.000 2.291 399 C HN 0.650 nan 8.230 nan 0.000 0.514 400 L N 6.523 127.663 121.223 -0.138 0.000 2.287 400 L HA 0.509 4.849 4.340 -0.000 0.000 0.287 400 L C -0.134 176.601 176.870 -0.224 0.000 1.022 400 L CA -0.116 54.588 54.840 -0.226 0.000 0.814 400 L CB 1.134 43.172 42.059 -0.036 0.000 1.217 400 L HN 0.633 nan 8.230 nan 0.000 0.420 401 Q N 3.473 122.996 119.800 -0.463 0.000 2.316 401 Q HA 0.526 4.866 4.340 -0.000 0.000 0.264 401 Q C -1.489 174.174 176.000 -0.562 0.000 0.987 401 Q CA -0.446 55.166 55.803 -0.319 0.000 0.852 401 Q CB 2.478 31.105 28.738 -0.185 0.000 1.287 401 Q HN 0.429 nan 8.270 nan 0.000 0.448 402 F N 1.000 120.926 119.950 -0.040 0.000 2.552 402 F HA 0.334 4.861 4.527 -0.000 0.000 0.369 402 F C 0.887 176.668 175.800 -0.032 0.000 1.112 402 F CA -0.666 57.308 58.000 -0.043 0.000 1.129 402 F CB 1.210 40.188 39.000 -0.037 0.000 1.360 402 F HN 0.745 nan 8.300 nan 0.000 0.473 403 G N 1.475 110.318 108.800 0.073 0.000 2.654 403 G HA2 0.026 3.986 3.960 -0.000 0.000 0.215 403 G HA3 0.026 3.986 3.960 -0.000 0.000 0.215 403 G C 1.798 176.746 174.900 0.081 0.000 1.310 403 G CA 0.631 45.767 45.100 0.060 0.000 0.866 403 G HN 0.724 nan 8.290 nan 0.000 0.558 404 G N 0.670 109.509 108.800 0.065 0.000 2.475 404 G HA2 0.018 3.978 3.960 -0.000 0.000 0.220 404 G HA3 0.018 3.978 3.960 -0.000 0.000 0.220 404 G C 1.670 176.610 174.900 0.067 0.000 1.125 404 G CA 1.401 46.555 45.100 0.089 0.000 0.755 404 G HN 0.729 nan 8.290 nan 0.000 0.565 405 G N -0.908 107.873 108.800 -0.033 0.000 2.776 405 G HA2 0.159 4.119 3.960 -0.000 0.000 0.209 405 G HA3 0.159 4.119 3.960 -0.000 0.000 0.209 405 G C 1.426 176.390 174.900 0.106 0.000 1.145 405 G CA 1.550 46.524 45.100 -0.210 0.000 0.791 405 G HN 0.423 nan 8.290 nan 0.000 0.530 406 T N 0.170 114.837 114.554 0.188 0.000 3.182 406 T HA 0.096 4.446 4.350 -0.000 0.000 0.244 406 T C 1.947 176.773 174.700 0.210 0.000 0.981 406 T CA -0.118 62.092 62.100 0.183 0.000 1.182 406 T CB -0.039 68.891 68.868 0.103 0.000 1.043 406 T HN 0.054 nan 8.240 nan 0.000 0.424 407 L N 1.585 122.908 121.223 0.166 0.000 2.622 407 L HA 0.269 4.609 4.340 -0.000 0.000 0.233 407 L C 2.171 179.162 176.870 0.203 0.000 1.156 407 L CA 0.791 55.717 54.840 0.143 0.000 0.866 407 L CB -0.212 41.896 42.059 0.081 0.000 0.980 407 L HN 0.366 nan 8.230 nan 0.000 0.448 408 G N -3.035 105.961 108.800 0.326 0.000 3.126 408 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.224 408 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.224 408 G C 0.465 175.583 174.900 0.363 0.000 1.142 408 G CA -0.301 45.041 45.100 0.403 0.000 0.759 408 G HN 0.262 nan 8.290 nan 0.000 0.550 409 H N 1.996 121.215 119.070 0.247 0.000 2.848 409 H HA 0.094 4.650 4.556 -0.000 0.000 0.341 409 H C -1.090 174.199 175.328 -0.064 0.000 1.060 409 H CA -1.124 54.922 56.048 -0.003 0.000 1.444 409 H CB 2.067 31.848 29.762 0.031 0.000 1.446 409 H HN 0.004 nan 8.280 nan 0.000 0.583 410 P HA -0.144 nan 4.420 nan 0.000 0.221 410 P C 0.706 178.220 177.300 0.357 0.000 1.145 410 P CA 1.131 64.199 63.100 -0.053 0.000 0.795 410 P CB 0.076 31.643 31.700 -0.222 0.000 0.775 411 W N 0.169 121.650 121.300 0.302 0.000 3.220 411 W HA 0.502 5.162 4.660 -0.000 0.000 0.328 411 W C 1.127 177.697 176.519 0.085 0.000 1.205 411 W CA 0.463 57.912 57.345 0.174 0.000 1.773 411 W CB -0.669 28.886 29.460 0.160 0.000 1.086 411 W HN 0.057 nan 8.180 nan 0.000 0.622 412 G N 0.867 109.848 108.800 0.302 0.000 2.566 412 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.599 412 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.599 412 G C 0.623 175.558 174.900 0.058 0.000 1.292 412 G CA -0.195 44.990 45.100 0.141 0.000 0.922 412 G HN -0.041 nan 8.290 nan 0.000 0.514 413 N N -0.004 118.704 118.700 0.014 0.000 2.106 413 N HA 0.019 4.758 4.740 -0.000 0.000 0.188 413 N C 2.718 178.175 175.510 -0.088 0.000 1.029 413 N CA 2.563 55.597 53.050 -0.027 0.000 0.848 413 N CB -0.698 37.765 38.487 -0.040 0.000 1.007 413 N HN 1.082 nan 8.380 nan 0.000 0.423 414 A N 1.472 124.229 122.820 -0.106 0.000 1.877 414 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 414 A C -0.198 177.300 177.584 -0.143 0.000 1.186 414 A CA 1.321 53.279 52.037 -0.132 0.000 0.620 414 A CB -1.523 17.394 19.000 -0.138 0.000 0.822 414 A HN 0.224 nan 8.150 nan 0.000 0.443 415 P HA -0.072 nan 4.420 nan 0.000 0.217 415 P C 1.710 178.650 177.300 -0.600 0.000 1.150 415 P CA 1.630 64.564 63.100 -0.277 0.000 0.832 415 P CB -0.331 31.292 31.700 -0.129 0.000 0.787 416 G N 0.254 108.696 108.800 -0.597 0.000 2.418 416 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 416 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 416 G C 1.661 176.464 174.900 -0.161 0.000 1.158 416 G CA 0.985 45.880 45.100 -0.343 0.000 0.771 416 G HN 0.316 nan 8.290 nan 0.000 0.545 417 A N 1.184 123.921 122.820 -0.139 0.000 1.877 417 A HA 0.274 4.594 4.320 -0.000 0.000 0.216 417 A C 2.830 180.343 177.584 -0.119 0.000 1.186 417 A CA 2.296 54.268 52.037 -0.107 0.000 0.620 417 A CB -0.841 18.103 19.000 -0.093 0.000 0.822 417 A HN 0.813 nan 8.150 nan 0.000 0.443 418 A N -0.145 122.597 122.820 -0.130 0.000 1.933 418 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 418 A C 2.496 180.021 177.584 -0.099 0.000 1.175 418 A CA 2.100 54.077 52.037 -0.099 0.000 0.628 418 A CB -0.999 17.948 19.000 -0.088 0.000 0.814 418 A HN 1.052 nan 8.150 nan 0.000 0.444 419 A N 0.414 123.151 122.820 -0.138 0.000 1.877 419 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 419 A C 1.898 179.400 177.584 -0.137 0.000 1.186 419 A CA 1.885 53.856 52.037 -0.110 0.000 0.620 419 A CB -0.902 18.064 19.000 -0.057 0.000 0.822 419 A HN 0.709 nan 8.150 nan 0.000 0.443 420 N N -1.226 117.355 118.700 -0.198 0.000 2.166 420 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 420 N C 1.969 177.355 175.510 -0.207 0.000 1.019 420 N CA 1.352 54.200 53.050 -0.337 0.000 0.856 420 N CB -0.125 38.058 38.487 -0.508 0.000 0.993 420 N HN 0.440 nan 8.380 nan 0.000 0.426 421 R N 1.116 121.542 120.500 -0.123 0.000 2.075 421 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 421 R C 1.761 178.042 176.300 -0.032 0.000 1.126 421 R CA 0.983 57.044 56.100 -0.064 0.000 0.963 421 R CB -0.723 29.549 30.300 -0.048 0.000 0.858 421 R HN -0.004 nan 8.270 nan 0.000 0.435 422 V N 1.040 120.946 119.914 -0.014 0.000 2.287 422 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 422 V C 2.372 178.468 176.094 0.003 0.000 1.053 422 V CA 2.035 64.361 62.300 0.044 0.000 1.027 422 V CB -1.028 30.867 31.823 0.120 0.000 0.646 422 V HN 0.550 nan 8.190 nan 0.000 0.447 423 A N -0.167 122.623 122.820 -0.050 0.000 1.883 423 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 423 A C 2.180 179.740 177.584 -0.041 0.000 1.186 423 A CA 2.245 54.239 52.037 -0.072 0.000 0.624 423 A CB -0.633 18.286 19.000 -0.135 0.000 0.822 423 A HN 0.472 nan 8.150 nan 0.000 0.444 424 L N 0.081 121.281 121.223 -0.038 0.000 2.017 424 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 424 L C 2.191 179.063 176.870 0.003 0.000 1.073 424 L CA 2.539 57.380 54.840 0.002 0.000 0.745 424 L CB -0.694 41.373 42.059 0.014 0.000 0.894 424 L HN 0.523 nan 8.230 nan 0.000 0.432 425 E N -0.369 119.827 120.200 -0.007 0.000 2.106 425 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 425 E C 2.152 178.737 176.600 -0.025 0.000 0.984 425 E CA 1.031 57.424 56.400 -0.011 0.000 0.806 425 E CB -0.291 29.402 29.700 -0.011 0.000 0.750 425 E HN 0.679 nan 8.360 nan 0.000 0.458 426 A N 0.945 123.746 122.820 -0.032 0.000 1.877 426 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 426 A C 2.462 180.030 177.584 -0.028 0.000 1.186 426 A CA 1.265 53.273 52.037 -0.048 0.000 0.620 426 A CB -0.877 18.096 19.000 -0.046 0.000 0.822 426 A HN 0.350 nan 8.150 nan 0.000 0.443 427 C N -1.084 118.211 119.300 -0.009 0.000 2.429 427 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 427 C C 3.054 178.052 174.990 0.014 0.000 1.262 427 C CA 1.523 60.548 59.018 0.011 0.000 1.733 427 C CB -1.512 26.246 27.740 0.031 0.000 2.010 427 C HN 0.653 nan 8.230 nan 0.000 0.483 428 T N 0.100 114.661 114.554 0.013 0.000 2.708 428 T HA -0.257 4.093 4.350 -0.000 0.000 0.266 428 T C 1.869 176.571 174.700 0.004 0.000 1.037 428 T CA 1.680 63.790 62.100 0.016 0.000 1.146 428 T CB -0.394 68.485 68.868 0.018 0.000 0.865 428 T HN 0.655 nan 8.240 nan 0.000 0.435 429 Q N 0.570 120.363 119.800 -0.012 0.000 2.050 429 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 429 Q C 2.544 178.532 176.000 -0.020 0.000 0.980 429 Q CA 1.561 57.349 55.803 -0.024 0.000 0.840 429 Q CB -0.313 28.395 28.738 -0.050 0.000 0.898 429 Q HN 0.540 nan 8.270 nan 0.000 0.424 430 A N 1.401 124.210 122.820 -0.018 0.000 1.883 430 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 430 A C 2.145 179.729 177.584 -0.000 0.000 1.186 430 A CA 1.638 53.668 52.037 -0.011 0.000 0.624 430 A CB -0.782 18.214 19.000 -0.006 0.000 0.822 430 A HN 0.427 nan 8.150 nan 0.000 0.444 431 R N 0.087 120.592 120.500 0.008 0.000 2.083 431 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 431 R C 1.913 178.218 176.300 0.009 0.000 1.137 431 R CA 1.991 58.099 56.100 0.013 0.000 0.951 431 R CB -0.596 29.717 30.300 0.022 0.000 0.851 431 R HN 0.746 nan 8.270 nan 0.000 0.434 432 N N 0.062 118.766 118.700 0.006 0.000 2.205 432 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 432 N C 1.079 176.588 175.510 -0.001 0.000 1.015 432 N CA 1.110 54.162 53.050 0.004 0.000 0.862 432 N CB -0.018 38.470 38.487 0.002 0.000 0.986 432 N HN 0.438 nan 8.380 nan 0.000 0.429 433 E N -0.369 119.828 120.200 -0.005 0.000 2.502 433 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 433 E C 0.920 177.518 176.600 -0.004 0.000 1.062 433 E CA 0.112 56.507 56.400 -0.008 0.000 0.867 433 E CB 0.323 30.015 29.700 -0.014 0.000 0.888 433 E HN 0.460 nan 8.360 nan 0.000 0.510 434 G N 1.734 110.535 108.800 0.000 0.000 2.163 434 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.213 434 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.213 434 G C 0.142 175.045 174.900 0.005 0.000 0.991 434 G CA -0.467 44.635 45.100 0.003 0.000 0.653 434 G HN 0.063 nan 8.290 nan 0.000 0.518 435 R N 0.570 121.073 120.500 0.005 0.000 2.539 435 R HA 0.338 4.678 4.340 -0.000 0.000 0.275 435 R C -0.753 175.555 176.300 0.013 0.000 1.077 435 R CA -0.384 55.721 56.100 0.009 0.000 1.097 435 R CB 0.695 31.000 30.300 0.008 0.000 1.018 435 R HN 0.200 nan 8.270 nan 0.000 0.483 436 D N 3.239 123.648 120.400 0.016 0.000 2.380 436 D HA 0.067 4.707 4.640 -0.000 0.000 0.230 436 D C 1.069 177.384 176.300 0.026 0.000 1.154 436 D CA -0.170 53.841 54.000 0.019 0.000 0.859 436 D CB 0.712 41.522 40.800 0.016 0.000 1.045 436 D HN 0.416 nan 8.370 nan 0.000 0.495 437 L N 3.005 124.246 121.223 0.030 0.000 2.191 437 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 437 L C 2.299 179.197 176.870 0.047 0.000 1.103 437 L CA 1.015 55.880 54.840 0.041 0.000 0.769 437 L CB -0.243 41.844 42.059 0.046 0.000 0.908 437 L HN 0.453 nan 8.230 nan 0.000 0.438 438 A N -0.339 122.503 122.820 0.036 0.000 1.969 438 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 438 A C 2.368 179.974 177.584 0.038 0.000 1.169 438 A CA 1.203 53.261 52.037 0.035 0.000 0.635 438 A CB -0.177 18.835 19.000 0.021 0.000 0.810 438 A HN 0.257 nan 8.150 nan 0.000 0.445 439 R N -0.768 119.752 120.500 0.034 0.000 2.167 439 R HA 0.128 4.468 4.340 -0.000 0.000 0.201 439 R C 0.938 177.263 176.300 0.041 0.000 1.024 439 R CA 1.008 57.128 56.100 0.033 0.000 1.053 439 R CB -0.212 30.103 30.300 0.024 0.000 0.987 439 R HN 0.650 nan 8.270 nan 0.000 0.493 440 E N -0.069 120.156 120.200 0.042 0.000 2.498 440 E HA 0.134 4.484 4.350 -0.000 0.000 0.203 440 E C 1.501 178.138 176.600 0.061 0.000 1.013 440 E CA 0.133 56.560 56.400 0.046 0.000 0.927 440 E CB 0.572 30.291 29.700 0.033 0.000 1.012 440 E HN 0.287 nan 8.360 nan 0.000 0.482 441 G N 1.671 110.514 108.800 0.072 0.000 2.491 441 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 441 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 441 G C 1.528 176.504 174.900 0.126 0.000 1.180 441 G CA 0.982 46.137 45.100 0.093 0.000 0.774 441 G HN 0.396 nan 8.290 nan 0.000 0.562 442 G N 0.659 109.554 108.800 0.158 0.000 2.440 442 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 442 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 442 G C 1.502 176.516 174.900 0.190 0.000 1.154 442 G CA 1.417 46.657 45.100 0.233 0.000 0.767 442 G HN 0.359 nan 8.290 nan 0.000 0.552 443 D N 0.149 120.620 120.400 0.118 0.000 2.117 443 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 443 D C 2.818 179.156 176.300 0.063 0.000 0.987 443 D CA 0.807 54.859 54.000 0.086 0.000 0.829 443 D CB -0.476 40.359 40.800 0.059 0.000 0.961 443 D HN 0.215 nan 8.370 nan 0.000 0.460 444 V N 1.578 121.523 119.914 0.050 0.000 2.287 444 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 444 V C 2.488 178.582 176.094 0.000 0.000 1.053 444 V CA 1.051 63.363 62.300 0.021 0.000 1.027 444 V CB -0.262 31.572 31.823 0.018 0.000 0.646 444 V HN 0.178 nan 8.190 nan 0.000 0.447 445 I N -0.137 120.429 120.570 -0.007 0.000 2.202 445 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 445 I C 2.676 178.719 176.117 -0.124 0.000 1.091 445 I CA 1.605 62.830 61.300 -0.126 0.000 1.368 445 I CB -1.190 36.652 38.000 -0.263 0.000 1.058 445 I HN 0.309 nan 8.210 nan 0.000 0.410 446 R N 0.303 120.809 120.500 0.009 0.000 2.091 446 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 446 R C 2.473 178.804 176.300 0.051 0.000 1.136 446 R CA 1.746 57.890 56.100 0.072 0.000 0.959 446 R CB -0.273 30.125 30.300 0.163 0.000 0.856 446 R HN 0.289 nan 8.270 nan 0.000 0.437 447 S N 0.513 116.240 115.700 0.046 0.000 2.382 447 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 447 S C 2.013 176.660 174.600 0.078 0.000 1.027 447 S CA 1.257 59.488 58.200 0.052 0.000 0.991 447 S CB -0.114 63.102 63.200 0.026 0.000 0.823 447 S HN 0.486 nan 8.310 nan 0.000 0.469 448 A N 0.744 123.593 122.820 0.048 0.000 1.897 448 A HA -0.106 4.213 4.320 -0.000 0.000 0.215 448 A C 2.389 180.041 177.584 0.114 0.000 1.181 448 A CA 1.446 53.546 52.037 0.105 0.000 0.620 448 A CB -1.207 17.813 19.000 0.033 0.000 0.821 448 A HN 0.659 nan 8.150 nan 0.000 0.443 449 c N -0.238 118.360 118.600 -0.004 0.000 2.422 449 c HA -0.058 4.512 4.570 -0.000 0.000 0.279 449 c C 2.538 176.641 174.090 0.021 0.000 1.305 449 c CA 1.047 57.354 56.329 -0.036 0.000 1.757 449 c CB -1.177 41.274 42.510 -0.098 0.000 1.962 449 c HN 0.575 nan 8.230 nan 0.000 0.499 450 K N -0.608 119.832 120.400 0.068 0.000 2.148 450 K HA -0.181 4.138 4.320 -0.000 0.000 0.204 450 K C 1.837 178.511 176.600 0.123 0.000 1.050 450 K CA 1.678 58.016 56.287 0.085 0.000 0.942 450 K CB -0.170 32.387 32.500 0.094 0.000 0.724 450 K HN 0.748 nan 8.250 nan 0.000 0.446 451 W N 1.085 122.376 121.300 -0.015 0.000 2.539 451 W HA 0.078 4.738 4.660 -0.000 0.000 0.281 451 W C 0.537 177.053 176.519 -0.005 0.000 1.220 451 W CA 0.434 57.774 57.345 -0.008 0.000 1.332 451 W CB 0.328 29.780 29.460 -0.013 0.000 1.095 451 W HN -0.256 nan 8.180 nan 0.000 0.571 452 S N 0.882 116.481 115.700 -0.168 0.000 2.438 452 S HA 0.308 4.778 4.470 -0.000 0.000 0.316 452 S C -1.614 172.870 174.600 -0.193 0.000 1.084 452 S CA -1.569 56.403 58.200 -0.380 0.000 1.107 452 S CB 1.362 64.465 63.200 -0.162 0.000 0.981 452 S HN -0.144 nan 8.310 nan 0.000 0.466 453 P HA -0.034 nan 4.420 nan 0.000 0.217 453 P C 0.889 178.119 177.300 -0.117 0.000 1.150 453 P CA 0.934 64.031 63.100 -0.005 0.000 0.832 453 P CB 0.213 32.011 31.700 0.164 0.000 0.787 454 E N -0.510 119.631 120.200 -0.098 0.000 2.051 454 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 454 E C 1.851 178.331 176.600 -0.200 0.000 0.991 454 E CA 0.865 57.130 56.400 -0.225 0.000 0.799 454 E CB -1.320 28.316 29.700 -0.107 0.000 0.748 454 E HN 0.090 nan 8.360 nan 0.000 0.449 455 L N 0.477 121.614 121.223 -0.144 0.000 2.046 455 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 455 L C 2.025 178.786 176.870 -0.182 0.000 1.077 455 L CA 2.032 56.794 54.840 -0.131 0.000 0.747 455 L CB -0.963 41.041 42.059 -0.093 0.000 0.896 455 L HN 0.121 nan 8.230 nan 0.000 0.432 456 A N -0.421 122.293 122.820 -0.178 0.000 1.908 456 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 456 A C 2.469 179.906 177.584 -0.245 0.000 1.181 456 A CA 1.966 53.907 52.037 -0.160 0.000 0.627 456 A CB -1.187 17.756 19.000 -0.096 0.000 0.818 456 A HN 0.573 nan 8.150 nan 0.000 0.445 457 A N -0.265 122.296 122.820 -0.431 0.000 1.933 457 A HA 0.145 4.465 4.320 -0.000 0.000 0.218 457 A C 2.494 179.661 177.584 -0.695 0.000 1.175 457 A CA 2.162 53.800 52.037 -0.666 0.000 0.628 457 A CB -0.955 17.242 19.000 -1.339 0.000 0.814 457 A HN 1.050 nan 8.150 nan 0.000 0.444 458 A N -0.885 121.604 122.820 -0.551 0.000 1.873 458 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 458 A C 2.311 179.789 177.584 -0.177 0.000 1.186 458 A CA 1.579 53.381 52.037 -0.391 0.000 0.616 458 A CB -1.326 17.698 19.000 0.040 0.000 0.823 458 A HN 0.608 nan 8.150 nan 0.000 0.442 459 c N -0.685 117.833 118.600 -0.137 0.000 2.398 459 c HA -0.121 4.449 4.570 -0.000 0.000 0.276 459 c C 2.696 176.951 174.090 0.276 0.000 1.222 459 c CA 1.271 57.627 56.329 0.045 0.000 1.746 459 c CB -1.105 41.332 42.510 -0.122 0.000 2.039 459 c HN 0.657 nan 8.230 nan 0.000 0.470 460 E N 0.735 120.934 120.200 -0.001 0.000 2.051 460 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 460 E C 2.242 178.751 176.600 -0.150 0.000 0.991 460 E CA 1.299 57.669 56.400 -0.051 0.000 0.799 460 E CB -0.181 29.446 29.700 -0.122 0.000 0.748 460 E HN 0.477 nan 8.360 nan 0.000 0.449 461 V N -0.052 119.641 119.914 -0.368 0.000 2.343 461 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 461 V C 1.627 177.437 176.094 -0.474 0.000 1.051 461 V CA 1.405 63.352 62.300 -0.588 0.000 1.036 461 V CB -0.355 30.793 31.823 -1.125 0.000 0.654 461 V HN 0.382 nan 8.190 nan 0.000 0.451 462 W N -0.376 120.859 121.300 -0.109 0.000 2.991 462 W HA 0.330 4.990 4.660 -0.000 0.000 0.391 462 W C 1.870 178.254 176.519 -0.225 0.000 1.054 462 W CA -0.840 56.348 57.345 -0.261 0.000 1.856 462 W CB -0.312 28.792 29.460 -0.594 0.000 1.132 462 W HN 0.271 nan 8.180 nan 0.000 0.601 463 K N 1.262 121.689 120.400 0.045 0.000 2.074 463 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 463 K C 1.244 177.627 176.600 -0.362 0.000 1.048 463 K CA 1.628 57.740 56.287 -0.292 0.000 0.926 463 K CB 0.273 32.665 32.500 -0.180 0.000 0.713 463 K HN -0.116 nan 8.250 nan 0.000 0.444 464 E N 0.380 120.469 120.200 -0.186 0.000 2.479 464 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 464 E C -0.079 176.451 176.600 -0.118 0.000 1.049 464 E CA 0.107 56.410 56.400 -0.161 0.000 0.870 464 E CB 0.368 29.996 29.700 -0.120 0.000 0.944 464 E HN 0.249 nan 8.360 nan 0.000 0.492 465 I N 2.078 122.605 120.570 -0.071 0.000 2.322 465 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 465 I C 0.375 176.495 176.117 0.006 0.000 1.060 465 I CA -0.045 61.224 61.300 -0.050 0.000 1.309 465 I CB 0.129 38.147 38.000 0.031 0.000 1.415 465 I HN -0.276 nan 8.210 nan 0.000 0.492 466 K N 5.650 125.931 120.400 -0.200 0.000 2.443 466 K HA 0.628 4.948 4.320 -0.000 0.000 0.251 466 K C -1.405 174.960 176.600 -0.391 0.000 0.972 466 K CA -0.592 55.628 56.287 -0.111 0.000 0.833 466 K CB 2.523 34.998 32.500 -0.043 0.000 1.317 466 K HN 0.158 nan 8.250 nan 0.000 0.441 467 F N 1.524 121.569 119.950 0.157 0.000 2.532 467 F HA 0.297 4.824 4.527 -0.000 0.000 0.365 467 F C -0.478 175.390 175.800 0.113 0.000 1.112 467 F CA -0.540 57.569 58.000 0.181 0.000 1.082 467 F CB 1.458 40.597 39.000 0.231 0.000 1.319 467 F HN 0.298 nan 8.300 nan 0.000 0.457 468 E N 3.675 123.866 120.200 -0.016 0.000 2.235 468 E HA 0.541 4.891 4.350 -0.000 0.000 0.252 468 E C -1.283 175.107 176.600 -0.349 0.000 0.886 468 E CA -0.446 55.907 56.400 -0.078 0.000 0.767 468 E CB 1.770 31.413 29.700 -0.095 0.000 1.205 468 E HN 0.316 nan 8.360 nan 0.000 0.421 469 F N 0.377 120.375 119.950 0.080 0.000 2.629 469 F HA 0.214 4.741 4.527 -0.000 0.000 0.316 469 F C 0.129 175.959 175.800 0.050 0.000 1.081 469 F CA -1.191 56.847 58.000 0.064 0.000 0.954 469 F CB 1.415 40.459 39.000 0.073 0.000 1.337 469 F HN 0.242 nan 8.300 nan 0.000 0.474 470 D N 0.826 121.376 120.400 0.250 0.000 2.458 470 D HA 0.128 4.768 4.640 -0.000 0.000 0.243 470 D C -0.484 175.900 176.300 0.140 0.000 1.146 470 D CA 0.482 54.573 54.000 0.151 0.000 0.877 470 D CB 0.763 41.634 40.800 0.119 0.000 1.176 470 D HN 0.407 nan 8.370 nan 0.000 0.461 471 T N 5.777 120.395 114.554 0.107 0.000 2.794 471 T HA 0.117 4.467 4.350 -0.000 0.000 0.296 471 T C 1.426 176.173 174.700 0.077 0.000 0.949 471 T CA -0.754 61.401 62.100 0.092 0.000 1.101 471 T CB 0.781 69.701 68.868 0.086 0.000 0.905 471 T HN 0.291 nan 8.240 nan 0.000 0.516 472 I N 1.798 122.408 120.570 0.067 0.000 2.270 472 I HA 0.011 4.181 4.170 -0.000 0.000 0.239 472 I C 1.482 177.644 176.117 0.076 0.000 1.080 472 I CA 0.929 62.265 61.300 0.060 0.000 1.383 472 I CB -0.737 37.287 38.000 0.039 0.000 1.097 472 I HN 0.573 nan 8.210 nan 0.000 0.420 473 D N 2.917 123.369 120.400 0.087 0.000 2.671 473 D HA 0.038 4.678 4.640 -0.000 0.000 0.228 473 D C 0.110 176.499 176.300 0.147 0.000 1.102 473 D CA 0.158 54.233 54.000 0.126 0.000 1.044 473 D CB -0.269 40.607 40.800 0.128 0.000 1.113 473 D HN 0.103 nan 8.370 nan 0.000 0.480 474 K N 1.435 121.906 120.400 0.118 0.000 2.154 474 K HA 0.284 4.604 4.320 -0.000 0.000 0.264 474 K C 0.709 177.377 176.600 0.114 0.000 1.008 474 K CA -0.803 55.546 56.287 0.103 0.000 0.937 474 K CB 1.458 34.002 32.500 0.074 0.000 1.002 474 K HN 0.263 nan 8.250 nan 0.000 0.469 475 L N 0.000 121.278 121.223 0.092 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.887 54.840 0.078 0.000 0.813 475 L CB 0.000 42.079 42.059 0.034 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502