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 3a13_1_A DATA FIRST_RESID 9 DATA SEQUENCE YDYYVDKGYE PSKKRDIIAV FRVTPAEGYT IEQAAGAVAA ESSTGTWTTL DATA SEQUENCE YPWYEQERWA DLSAKAYDFH DMGDGSWIVR IAYPFHAFEE ANLPGLLASI DATA SEQUENCE AGNIFGMKRV KGLRLEDLYF PEKLIREFDG PAFGIEGVRK MLEIKDRPIY DATA SEQUENCE GVVPKPKVGY SPEEFEKLAY DLLSNGADYM XDDENLTSPW YNRFEERAEI DATA SEQUENCE MAKIIDKVEN ETGEKKTWFA NITADLLEME QRLEVLADLG LKHAMVDVVI DATA SEQUENCE TGWGALRYIR DLAADYGLAI HGHRAMHAAF TRNPYHGISM FVLAKLYRLI DATA SEQUENCE GIDQLHVGTA GAGKLEGERD ITIQNARILR ESHYKPDEND VFHLEQKFYS DATA SEQUENCE IKAAFPTSSG GLHPGNIQPV IEALGTDIVL QLGGGTLGHP DGPAAGARAV DATA SEQUENCE RQAIDAIMQG IPLDEYAKTH KELARALEKW GHVTPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 Y HA 0.000 nan 4.550 nan 0.000 0.201 9 Y C 0.000 176.088 175.900 0.313 0.000 1.272 9 Y CA 0.000 58.300 58.100 0.332 0.000 1.940 9 Y CB 0.000 38.573 38.460 0.189 0.000 1.050 10 D N -0.170 120.452 120.400 0.370 0.000 2.350 10 D HA -0.170 4.470 4.640 0.001 0.000 0.216 10 D C 1.527 177.942 176.300 0.193 0.000 0.968 10 D CA 1.252 55.390 54.000 0.230 0.000 0.894 10 D CB -0.612 40.281 40.800 0.155 0.000 0.909 10 D HN 0.447 nan 8.370 nan 0.000 0.520 11 Y N -0.631 119.726 120.300 0.095 0.000 2.439 11 Y HA 0.016 4.567 4.550 0.001 0.000 0.292 11 Y C 1.124 176.888 175.900 -0.227 0.000 1.130 11 Y CA 1.034 59.080 58.100 -0.091 0.000 1.254 11 Y CB -0.019 38.342 38.460 -0.165 0.000 1.000 11 Y HN 0.317 nan 8.280 nan 0.000 0.554 12 Y N -0.663 119.612 120.300 -0.041 0.000 2.457 12 Y HA 0.267 4.817 4.550 0.001 0.000 0.263 12 Y C 0.091 175.911 175.900 -0.134 0.000 1.164 12 Y CA -0.339 57.656 58.100 -0.175 0.000 1.274 12 Y CB 0.254 38.676 38.460 -0.065 0.000 1.097 12 Y HN -0.226 nan 8.280 nan 0.000 0.523 13 V N 1.076 121.013 119.914 0.039 0.000 2.398 13 V HA 0.318 4.438 4.120 0.001 0.000 0.286 13 V C -0.754 175.349 176.094 0.016 0.000 1.026 13 V CA -0.608 61.743 62.300 0.085 0.000 0.868 13 V CB 1.676 33.565 31.823 0.110 0.000 0.982 13 V HN 0.051 nan 8.190 nan 0.000 0.443 14 D N 3.260 123.708 120.400 0.080 0.000 2.351 14 D HA 0.241 4.881 4.640 0.001 0.000 0.235 14 D C 0.509 176.926 176.300 0.195 0.000 1.331 14 D CA -0.470 53.572 54.000 0.071 0.000 0.959 14 D CB 1.233 42.026 40.800 -0.012 0.000 1.432 14 D HN 0.456 nan 8.370 nan 0.000 0.544 15 K N 0.688 121.184 120.400 0.160 0.000 2.504 15 K HA 0.127 4.448 4.320 0.001 0.000 0.195 15 K C 1.674 178.385 176.600 0.185 0.000 1.036 15 K CA 0.608 57.018 56.287 0.205 0.000 0.984 15 K CB 0.535 33.087 32.500 0.087 0.000 0.788 15 K HN 0.327 nan 8.250 nan 0.000 0.488 16 G N 0.127 109.013 108.800 0.144 0.000 2.838 16 G HA2 -0.142 3.818 3.960 0.001 0.000 0.210 16 G HA3 -0.142 3.818 3.960 0.001 0.000 0.210 16 G C -0.030 174.937 174.900 0.112 0.000 1.153 16 G CA -0.244 44.919 45.100 0.105 0.000 0.778 16 G HN 0.201 nan 8.290 nan 0.000 0.539 17 Y N 1.934 122.251 120.300 0.028 0.000 2.511 17 Y HA 0.395 4.945 4.550 0.001 0.000 0.332 17 Y C 0.256 176.080 175.900 -0.126 0.000 1.177 17 Y CA -0.058 58.009 58.100 -0.055 0.000 1.422 17 Y CB 0.443 38.854 38.460 -0.081 0.000 1.271 17 Y HN 0.122 nan 8.280 nan 0.000 0.550 18 E N 7.840 127.560 120.200 -0.799 0.000 2.129 18 E HA 0.412 4.762 4.350 0.001 0.000 0.268 18 E C -2.925 173.099 176.600 -0.959 0.000 0.900 18 E CA -2.431 53.576 56.400 -0.655 0.000 0.755 18 E CB 0.373 29.866 29.700 -0.346 0.000 1.117 18 E HN 0.555 nan 8.360 nan 0.000 0.410 19 P HA 0.137 nan 4.420 nan 0.000 0.268 19 P C -0.040 177.109 177.300 -0.252 0.000 1.205 19 P CA -0.054 62.774 63.100 -0.453 0.000 0.771 19 P CB 1.367 32.862 31.700 -0.341 0.000 0.858 20 S N 1.810 117.461 115.700 -0.082 0.000 2.489 20 S HA 0.143 4.613 4.470 0.001 0.000 0.277 20 S C 1.149 175.805 174.600 0.093 0.000 1.230 20 S CA -0.601 57.599 58.200 0.001 0.000 1.053 20 S CB 0.165 63.402 63.200 0.062 0.000 0.955 20 S HN 0.279 nan 8.310 nan 0.000 0.488 21 K N 3.171 123.615 120.400 0.074 0.000 2.148 21 K HA 0.014 4.335 4.320 0.001 0.000 0.204 21 K C 1.446 178.219 176.600 0.289 0.000 1.050 21 K CA 0.906 57.283 56.287 0.149 0.000 0.942 21 K CB 0.050 32.600 32.500 0.084 0.000 0.724 21 K HN 0.529 nan 8.250 nan 0.000 0.446 22 K N 0.138 120.663 120.400 0.208 0.000 2.356 22 K HA 0.062 4.382 4.320 0.001 0.000 0.195 22 K C 1.623 178.378 176.600 0.260 0.000 1.037 22 K CA 0.517 56.920 56.287 0.193 0.000 1.014 22 K CB 0.448 33.026 32.500 0.131 0.000 0.815 22 K HN 0.093 nan 8.250 nan 0.000 0.507 23 R N 0.185 120.876 120.500 0.318 0.000 2.316 23 R HA 0.111 4.451 4.340 0.001 0.000 0.201 23 R C -0.283 176.297 176.300 0.466 0.000 0.888 23 R CA 0.039 56.414 56.100 0.457 0.000 1.041 23 R CB 0.686 31.142 30.300 0.259 0.000 1.115 23 R HN 0.012 nan 8.270 nan 0.000 0.559 24 D N 0.555 121.188 120.400 0.389 0.000 2.192 24 D HA 0.299 4.939 4.640 0.001 0.000 0.246 24 D C -0.336 176.253 176.300 0.482 0.000 1.042 24 D CA -0.323 53.915 54.000 0.396 0.000 0.847 24 D CB 1.890 42.883 40.800 0.321 0.000 1.186 24 D HN -0.054 nan 8.370 nan 0.000 0.461 25 I N 2.053 122.910 120.570 0.479 0.000 2.472 25 I HA 0.313 4.484 4.170 0.001 0.000 0.290 25 I C 0.131 176.574 176.117 0.542 0.000 1.016 25 I CA -0.467 61.120 61.300 0.477 0.000 1.348 25 I CB 0.953 39.168 38.000 0.358 0.000 1.417 25 I HN 0.098 nan 8.210 nan 0.000 0.521 26 I N 5.356 126.229 120.570 0.505 0.000 2.447 26 I HA 0.453 4.623 4.170 0.001 0.000 0.287 26 I C -0.148 176.127 176.117 0.264 0.000 1.023 26 I CA -0.516 61.046 61.300 0.437 0.000 1.083 26 I CB 1.852 40.081 38.000 0.381 0.000 1.245 26 I HN 0.564 nan 8.210 nan 0.000 0.434 27 A N 6.569 129.542 122.820 0.255 0.000 2.274 27 A HA 0.706 5.026 4.320 0.001 0.000 0.309 27 A C -0.402 177.069 177.584 -0.188 0.000 1.226 27 A CA -0.461 51.527 52.037 -0.082 0.000 0.853 27 A CB 0.751 19.670 19.000 -0.134 0.000 1.146 27 A HN 0.466 nan 8.150 nan 0.000 0.518 28 V N 3.361 123.102 119.914 -0.288 0.000 2.383 28 V HA 0.420 4.540 4.120 0.001 0.000 0.275 28 V C -0.758 175.134 176.094 -0.336 0.000 1.036 28 V CA 0.038 62.216 62.300 -0.204 0.000 0.889 28 V CB 0.160 31.929 31.823 -0.089 0.000 0.985 28 V HN 0.681 nan 8.190 nan 0.000 0.459 29 F N 3.348 123.304 119.950 0.011 0.000 2.495 29 F HA 0.585 5.112 4.527 0.001 0.000 0.327 29 F C 0.418 176.260 175.800 0.071 0.000 1.103 29 F CA -0.814 57.208 58.000 0.035 0.000 0.949 29 F CB 1.804 40.800 39.000 -0.008 0.000 1.142 29 F HN 0.307 nan 8.300 nan 0.000 0.457 30 R N 2.774 123.467 120.500 0.322 0.000 2.205 30 R HA 0.597 4.937 4.340 0.001 0.000 0.342 30 R C -1.707 174.779 176.300 0.310 0.000 1.058 30 R CA -0.264 56.012 56.100 0.292 0.000 0.904 30 R CB 0.470 30.931 30.300 0.269 0.000 1.089 30 R HN 0.543 nan 8.270 nan 0.000 0.471 31 V N 4.202 124.292 119.914 0.293 0.000 2.394 31 V HA 0.290 4.410 4.120 0.001 0.000 0.282 31 V C -0.077 176.208 176.094 0.318 0.000 1.031 31 V CA -0.546 61.902 62.300 0.247 0.000 0.881 31 V CB 1.808 33.716 31.823 0.142 0.000 0.982 31 V HN 0.741 nan 8.190 nan 0.000 0.451 32 T N 7.720 122.444 114.554 0.284 0.000 2.821 32 T HA 0.391 4.742 4.350 0.001 0.000 0.307 32 T C -2.606 172.218 174.700 0.206 0.000 1.034 32 T CA -1.243 61.021 62.100 0.273 0.000 0.953 32 T CB 1.522 70.528 68.868 0.230 0.000 0.968 32 T HN 0.402 nan 8.240 nan 0.000 0.462 33 P HA 0.299 nan 4.420 nan 0.000 0.269 33 P C -0.548 176.852 177.300 0.166 0.000 1.215 33 P CA -0.426 62.776 63.100 0.170 0.000 0.780 33 P CB 0.442 32.264 31.700 0.202 0.000 0.898 34 A N 1.599 124.512 122.820 0.155 0.000 2.351 34 A HA 0.219 4.539 4.320 0.001 0.000 0.257 34 A C 0.346 178.087 177.584 0.262 0.000 1.087 34 A CA -0.219 51.928 52.037 0.183 0.000 0.798 34 A CB -0.351 18.739 19.000 0.150 0.000 1.033 34 A HN 0.507 nan 8.150 nan 0.000 0.488 35 E N 0.519 120.826 120.200 0.178 0.000 2.694 35 E HA 0.280 4.630 4.350 0.001 0.000 0.250 35 E C 1.122 177.793 176.600 0.118 0.000 0.963 35 E CA 1.818 58.295 56.400 0.129 0.000 0.949 35 E CB -0.470 29.279 29.700 0.081 0.000 0.911 35 E HN 1.700 nan 8.360 nan 0.000 0.500 36 G N 3.184 112.006 108.800 0.037 0.000 2.144 36 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 36 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 36 G C -0.613 174.055 174.900 -0.385 0.000 0.988 36 G CA 0.058 45.064 45.100 -0.158 0.000 0.659 36 G HN 0.431 nan 8.290 nan 0.000 0.522 37 Y N 0.766 121.095 120.300 0.047 0.000 2.477 37 Y HA 0.618 5.168 4.550 0.001 0.000 0.347 37 Y C 0.987 176.903 175.900 0.026 0.000 0.981 37 Y CA -0.177 57.948 58.100 0.041 0.000 1.033 37 Y CB 1.802 40.291 38.460 0.049 0.000 1.245 37 Y HN 0.294 nan 8.280 nan 0.000 0.455 38 T N -1.046 113.596 114.554 0.146 0.000 2.788 38 T HA 0.155 4.506 4.350 0.001 0.000 0.287 38 T C 0.972 175.642 174.700 -0.049 0.000 1.007 38 T CA -0.493 61.617 62.100 0.016 0.000 1.005 38 T CB 0.912 69.761 68.868 -0.032 0.000 1.012 38 T HN 0.603 nan 8.240 nan 0.000 0.530 39 I N 0.632 121.025 120.570 -0.295 0.000 2.394 39 I HA -0.016 4.154 4.170 0.001 0.000 0.251 39 I C 2.104 178.153 176.117 -0.113 0.000 1.136 39 I CA 1.394 62.465 61.300 -0.382 0.000 1.425 39 I CB -0.907 36.380 38.000 -1.189 0.000 1.079 39 I HN 0.754 nan 8.210 nan 0.000 0.425 40 E N 0.186 120.300 120.200 -0.144 0.000 2.072 40 E HA -0.222 4.128 4.350 0.001 0.000 0.191 40 E C 2.216 178.846 176.600 0.050 0.000 0.985 40 E CA 1.377 57.754 56.400 -0.040 0.000 0.801 40 E CB -0.294 29.312 29.700 -0.156 0.000 0.750 40 E HN 0.600 nan 8.360 nan 0.000 0.452 41 Q N -0.280 119.556 119.800 0.060 0.000 2.167 41 Q HA -0.043 4.297 4.340 0.001 0.000 0.202 41 Q C 2.097 178.130 176.000 0.055 0.000 0.970 41 Q CA 1.212 57.095 55.803 0.134 0.000 0.855 41 Q CB -0.076 28.809 28.738 0.246 0.000 0.911 41 Q HN 0.292 nan 8.270 nan 0.000 0.438 42 A N 1.002 123.828 122.820 0.011 0.000 1.872 42 A HA -0.012 4.309 4.320 0.001 0.000 0.214 42 A C 2.295 179.804 177.584 -0.124 0.000 1.187 42 A CA 1.301 53.295 52.037 -0.070 0.000 0.614 42 A CB -0.792 18.192 19.000 -0.025 0.000 0.826 42 A HN 0.365 nan 8.150 nan 0.000 0.442 43 A N -0.256 122.528 122.820 -0.061 0.000 1.883 43 A HA 0.080 4.400 4.320 0.001 0.000 0.217 43 A C 2.442 179.946 177.584 -0.133 0.000 1.186 43 A CA 2.090 54.067 52.037 -0.101 0.000 0.624 43 A CB -1.538 17.456 19.000 -0.009 0.000 0.822 43 A HN 0.776 nan 8.150 nan 0.000 0.444 44 G N -0.410 108.358 108.800 -0.053 0.000 2.476 44 G HA2 -0.095 3.866 3.960 0.001 0.000 0.218 44 G HA3 -0.095 3.866 3.960 0.001 0.000 0.218 44 G C 1.779 176.429 174.900 -0.418 0.000 1.164 44 G CA 1.801 46.861 45.100 -0.066 0.000 0.768 44 G HN 0.898 nan 8.290 nan 0.000 0.560 45 A N -0.190 122.260 122.820 -0.617 0.000 1.933 45 A HA 0.098 4.419 4.320 0.001 0.000 0.218 45 A C 2.625 179.824 177.584 -0.643 0.000 1.175 45 A CA 1.869 53.282 52.037 -1.040 0.000 0.628 45 A CB -0.563 18.008 19.000 -0.715 0.000 0.814 45 A HN 0.285 nan 8.150 nan 0.000 0.444 46 V N -0.193 119.443 119.914 -0.464 0.000 2.307 46 V HA -0.236 3.884 4.120 0.001 0.000 0.245 46 V C 3.078 178.938 176.094 -0.389 0.000 1.045 46 V CA 1.899 63.930 62.300 -0.449 0.000 1.024 46 V CB -1.238 30.258 31.823 -0.544 0.000 0.651 46 V HN 0.614 nan 8.190 nan 0.000 0.449 47 A N -0.048 122.562 122.820 -0.350 0.000 1.908 47 A HA -0.187 4.134 4.320 0.001 0.000 0.218 47 A C 2.389 179.684 177.584 -0.482 0.000 1.181 47 A CA 2.400 54.259 52.037 -0.297 0.000 0.627 47 A CB -0.763 18.120 19.000 -0.195 0.000 0.818 47 A HN 0.588 nan 8.150 nan 0.000 0.445 48 A N -0.786 121.545 122.820 -0.815 0.000 1.872 48 A HA -0.075 4.246 4.320 0.001 0.000 0.214 48 A C 1.899 179.219 177.584 -0.441 0.000 1.187 48 A CA 1.475 52.858 52.037 -1.090 0.000 0.614 48 A CB -0.374 18.013 19.000 -1.023 0.000 0.826 48 A HN 0.410 nan 8.150 nan 0.000 0.442 49 E N 0.556 120.561 120.200 -0.326 0.000 2.338 49 E HA -0.088 4.263 4.350 0.001 0.000 0.197 49 E C 1.929 178.471 176.600 -0.097 0.000 1.007 49 E CA 1.221 57.529 56.400 -0.153 0.000 0.849 49 E CB -0.243 29.368 29.700 -0.147 0.000 0.774 49 E HN 0.726 nan 8.360 nan 0.000 0.506 50 S N -0.915 114.730 115.700 -0.091 0.000 2.556 50 S HA 0.115 4.585 4.470 0.001 0.000 0.216 50 S C 1.373 176.061 174.600 0.146 0.000 0.970 50 S CA 0.390 58.619 58.200 0.048 0.000 0.912 50 S CB 0.259 63.538 63.200 0.133 0.000 0.790 50 S HN 0.162 nan 8.310 nan 0.000 0.504 51 S N 1.608 117.328 115.700 0.034 0.000 3.733 51 S HA 0.185 4.655 4.470 0.001 0.000 0.178 51 S C 1.244 175.834 174.600 -0.018 0.000 1.032 51 S CA 0.493 58.702 58.200 0.016 0.000 1.191 51 S CB -0.329 62.890 63.200 0.032 0.000 1.657 51 S HN 0.422 nan 8.310 nan 0.000 0.863 52 T N -0.184 114.379 114.554 0.016 0.000 3.069 52 T HA 0.523 4.874 4.350 0.001 0.000 0.252 52 T C 0.827 175.734 174.700 0.345 0.000 1.053 52 T CA 0.245 62.411 62.100 0.110 0.000 0.964 52 T CB -0.104 68.643 68.868 -0.202 0.000 1.005 52 T HN 0.758 nan 8.240 nan 0.000 0.532 53 G N -0.138 108.786 108.800 0.206 0.000 2.613 53 G HA2 0.720 4.681 3.960 0.001 0.000 0.303 53 G HA3 0.720 4.681 3.960 0.001 0.000 0.303 53 G C -0.432 174.605 174.900 0.228 0.000 1.312 53 G CA -0.083 45.196 45.100 0.299 0.000 1.036 53 G HN 0.651 nan 8.290 nan 0.000 0.513 54 T N -1.747 112.966 114.554 0.264 0.000 2.762 54 T HA 0.464 4.814 4.350 0.001 0.000 0.301 54 T C 0.570 175.397 174.700 0.213 0.000 1.299 54 T CA -0.227 61.999 62.100 0.211 0.000 1.005 54 T CB 0.684 69.593 68.868 0.067 0.000 1.377 54 T HN 0.928 nan 8.240 nan 0.000 0.504 55 W N 0.562 121.914 121.300 0.087 0.000 2.770 55 W HA 0.422 5.082 4.660 0.001 0.000 0.256 55 W C 0.172 176.636 176.519 -0.090 0.000 1.291 55 W CA 1.005 58.345 57.345 -0.007 0.000 1.396 55 W CB -1.214 28.270 29.460 0.041 0.000 1.114 55 W HN 1.056 nan 8.180 nan 0.000 0.637 56 T N 0.757 114.873 114.554 -0.730 0.000 2.883 56 T HA 0.607 4.957 4.350 0.001 0.000 0.284 56 T C 0.263 174.733 174.700 -0.384 0.000 1.041 56 T CA -0.125 61.552 62.100 -0.704 0.000 1.007 56 T CB 0.684 68.820 68.868 -1.220 0.000 1.220 56 T HN 0.075 nan 8.240 nan 0.000 0.552 57 T N 0.040 114.423 114.554 -0.286 0.000 2.910 57 T HA 0.725 5.075 4.350 0.001 0.000 0.293 57 T C 0.093 174.693 174.700 -0.168 0.000 1.015 57 T CA 0.291 62.280 62.100 -0.184 0.000 1.094 57 T CB -0.364 68.420 68.868 -0.140 0.000 0.968 57 T HN 1.821 nan 8.240 nan 0.000 0.521 58 L N 0.967 122.123 121.223 -0.112 0.000 2.381 58 L HA 0.855 5.196 4.340 0.001 0.000 0.274 58 L C 0.406 177.270 176.870 -0.010 0.000 0.988 58 L CA -1.529 53.290 54.840 -0.035 0.000 0.824 58 L CB -0.678 41.410 42.059 0.048 0.000 1.263 58 L HN 1.443 nan 8.230 nan 0.000 0.410 59 Y N 1.494 121.803 120.300 0.014 0.000 2.641 59 Y HA 0.509 5.059 4.550 0.001 0.000 0.351 59 Y C -1.855 174.085 175.900 0.067 0.000 1.269 59 Y CA -0.804 57.302 58.100 0.010 0.000 1.485 59 Y CB -0.586 37.886 38.460 0.020 0.000 1.364 59 Y HN 0.791 nan 8.280 nan 0.000 0.651 60 P HA 0.242 nan 4.420 nan 0.000 0.304 60 P C -0.177 176.945 177.300 -0.297 0.000 1.385 60 P CA -0.236 62.596 63.100 -0.446 0.000 0.896 60 P CB 0.278 31.645 31.700 -0.555 0.000 0.958 61 W N 3.781 124.868 121.300 -0.355 0.000 2.684 61 W HA 0.265 4.926 4.660 0.001 0.000 0.381 61 W C -1.276 175.206 176.519 -0.060 0.000 0.975 61 W CA -0.641 56.626 57.345 -0.131 0.000 1.789 61 W CB -0.861 28.604 29.460 0.009 0.000 1.161 61 W HN 0.220 nan 8.180 nan 0.000 0.564 62 Y N -1.150 118.813 120.300 -0.562 0.000 2.609 62 Y HA 0.601 5.152 4.550 0.001 0.000 0.342 62 Y C -0.104 175.605 175.900 -0.319 0.000 1.058 62 Y CA -2.276 55.487 58.100 -0.562 0.000 1.055 62 Y CB 0.440 38.313 38.460 -0.977 0.000 1.292 62 Y HN -0.067 nan 8.280 nan 0.000 0.476 63 E N 1.827 121.989 120.200 -0.064 0.000 2.292 63 E HA -0.058 4.292 4.350 0.001 0.000 0.265 63 E C 0.637 177.276 176.600 0.064 0.000 1.093 63 E CA 0.031 56.405 56.400 -0.042 0.000 0.922 63 E CB 0.999 30.702 29.700 0.006 0.000 1.001 63 E HN 0.837 nan 8.360 nan 0.000 0.444 64 Q N 3.704 123.470 119.800 -0.057 0.000 2.135 64 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 64 Q C 1.636 177.763 176.000 0.211 0.000 0.981 64 Q CA 2.238 58.075 55.803 0.057 0.000 0.856 64 Q CB 0.060 28.746 28.738 -0.087 0.000 0.902 64 Q HN 0.650 nan 8.270 nan 0.000 0.425 65 E N -0.007 120.261 120.200 0.112 0.000 2.072 65 E HA -0.172 4.179 4.350 0.001 0.000 0.191 65 E C 1.927 178.596 176.600 0.116 0.000 0.985 65 E CA 1.348 57.811 56.400 0.104 0.000 0.801 65 E CB -0.207 29.524 29.700 0.051 0.000 0.750 65 E HN 0.371 nan 8.360 nan 0.000 0.452 66 R N -0.937 119.632 120.500 0.116 0.000 2.073 66 R HA -0.166 4.174 4.340 0.001 0.000 0.234 66 R C 2.192 178.557 176.300 0.107 0.000 1.134 66 R CA 1.796 57.952 56.100 0.094 0.000 0.952 66 R CB -0.693 29.653 30.300 0.078 0.000 0.850 66 R HN 0.418 nan 8.270 nan 0.000 0.433 67 W N 0.759 122.045 121.300 -0.023 0.000 2.355 67 W HA -0.186 4.475 4.660 0.001 0.000 0.309 67 W C 2.018 178.521 176.519 -0.027 0.000 1.206 67 W CA 2.083 59.391 57.345 -0.062 0.000 1.284 67 W CB -0.461 28.958 29.460 -0.069 0.000 1.145 67 W HN 0.185 nan 8.180 nan 0.000 0.502 68 A N -0.047 122.837 122.820 0.107 0.000 1.940 68 A HA -0.279 4.041 4.320 0.001 0.000 0.219 68 A C 1.655 179.131 177.584 -0.180 0.000 1.176 68 A CA 2.285 54.243 52.037 -0.131 0.000 0.631 68 A CB -1.310 17.789 19.000 0.165 0.000 0.814 68 A HN 0.477 nan 8.150 nan 0.000 0.446 69 D N -0.728 119.621 120.400 -0.085 0.000 2.264 69 D HA -0.033 4.607 4.640 0.001 0.000 0.208 69 D C 1.383 177.583 176.300 -0.167 0.000 0.966 69 D CA 0.774 54.733 54.000 -0.069 0.000 0.864 69 D CB -0.112 40.704 40.800 0.027 0.000 0.933 69 D HN 0.438 nan 8.370 nan 0.000 0.499 70 L N -0.259 120.801 121.223 -0.271 0.000 2.640 70 L HA 0.260 4.600 4.340 0.001 0.000 0.230 70 L C 0.457 177.112 176.870 -0.358 0.000 1.123 70 L CA -0.264 54.356 54.840 -0.367 0.000 0.900 70 L CB 0.409 42.253 42.059 -0.358 0.000 1.146 70 L HN -0.150 nan 8.230 nan 0.000 0.484 71 S N 0.820 116.287 115.700 -0.389 0.000 2.565 71 S HA 0.563 5.034 4.470 0.001 0.000 0.274 71 S C 0.470 174.907 174.600 -0.272 0.000 1.309 71 S CA -0.612 57.393 58.200 -0.325 0.000 1.043 71 S CB 1.473 64.405 63.200 -0.446 0.000 0.939 71 S HN 0.274 nan 8.310 nan 0.000 0.504 72 A N 3.376 126.087 122.820 -0.182 0.000 2.287 72 A HA 0.639 4.960 4.320 0.001 0.000 0.273 72 A C -0.238 177.155 177.584 -0.320 0.000 1.091 72 A CA -0.448 51.353 52.037 -0.392 0.000 0.817 72 A CB 0.374 18.916 19.000 -0.763 0.000 1.069 72 A HN 0.590 nan 8.150 nan 0.000 0.492 73 K N 0.496 120.660 120.400 -0.392 0.000 2.507 73 K HA 0.541 4.861 4.320 0.001 0.000 0.252 73 K C -0.784 175.778 176.600 -0.064 0.000 0.943 73 K CA -0.308 55.820 56.287 -0.265 0.000 0.808 73 K CB 1.756 33.984 32.500 -0.452 0.000 1.142 73 K HN 0.783 nan 8.250 nan 0.000 0.426 74 A N 3.308 126.120 122.820 -0.013 0.000 2.396 74 A HA 0.321 4.642 4.320 0.001 0.000 0.279 74 A C 0.146 177.832 177.584 0.171 0.000 1.165 74 A CA 0.009 52.042 52.037 -0.006 0.000 0.824 74 A CB -0.419 18.551 19.000 -0.050 0.000 1.100 74 A HN 0.830 nan 8.150 nan 0.000 0.516 75 Y N 0.123 120.461 120.300 0.064 0.000 2.425 75 Y HA 0.491 5.042 4.550 0.001 0.000 0.261 75 Y C -0.123 175.917 175.900 0.234 0.000 1.084 75 Y CA -0.312 57.905 58.100 0.194 0.000 1.248 75 Y CB 0.296 38.885 38.460 0.216 0.000 1.270 75 Y HN 0.472 nan 8.280 nan 0.000 0.524 76 D N 0.774 120.867 120.400 -0.511 0.000 2.696 76 D HA 0.426 5.066 4.640 0.001 0.000 0.251 76 D C -1.758 174.421 176.300 -0.203 0.000 1.188 76 D CA -0.285 53.585 54.000 -0.218 0.000 0.876 76 D CB 1.119 41.685 40.800 -0.391 0.000 1.334 76 D HN 0.085 nan 8.370 nan 0.000 0.540 77 F N 2.282 122.221 119.950 -0.019 0.000 2.482 77 F HA 0.390 4.917 4.527 0.001 0.000 0.331 77 F C -0.233 175.705 175.800 0.231 0.000 1.115 77 F CA -1.047 57.003 58.000 0.083 0.000 0.955 77 F CB 1.781 40.777 39.000 -0.007 0.000 1.136 77 F HN 0.380 nan 8.300 nan 0.000 0.452 78 H N 1.600 120.880 119.070 0.350 0.000 2.658 78 H HA 0.252 4.809 4.556 0.001 0.000 0.337 78 H C -1.276 174.175 175.328 0.204 0.000 1.009 78 H CA -0.906 55.274 56.048 0.221 0.000 1.231 78 H CB 1.176 30.952 29.762 0.024 0.000 1.508 78 H HN 0.543 nan 8.280 nan 0.000 0.517 79 D N 4.735 124.890 120.400 -0.408 0.000 2.371 79 D HA -0.010 4.630 4.640 0.001 0.000 0.256 79 D C 0.752 176.597 176.300 -0.757 0.000 1.193 79 D CA -0.162 53.332 54.000 -0.844 0.000 0.881 79 D CB 0.845 41.296 40.800 -0.583 0.000 1.143 79 D HN 0.549 nan 8.370 nan 0.000 0.473 80 M N 2.613 121.877 119.600 -0.561 0.000 2.558 80 M HA 0.159 4.640 4.480 0.001 0.000 0.255 80 M C 1.471 177.628 176.300 -0.238 0.000 1.113 80 M CA 0.709 55.853 55.300 -0.260 0.000 1.097 80 M CB -0.818 31.734 32.600 -0.080 0.000 1.426 80 M HN 0.746 nan 8.290 nan 0.000 0.488 81 G N 2.301 110.880 108.800 -0.369 0.000 2.137 81 G HA2 -0.226 3.734 3.960 0.001 0.000 0.237 81 G HA3 -0.226 3.734 3.960 0.001 0.000 0.237 81 G C -0.067 174.734 174.900 -0.165 0.000 1.002 81 G CA 0.635 45.580 45.100 -0.259 0.000 0.702 81 G HN 0.593 nan 8.290 nan 0.000 0.515 82 D N -2.451 117.852 120.400 -0.162 0.000 2.563 82 D HA 0.431 5.071 4.640 0.001 0.000 0.256 82 D C 1.536 177.800 176.300 -0.060 0.000 1.400 82 D CA 0.880 54.846 54.000 -0.056 0.000 0.800 82 D CB -0.339 40.496 40.800 0.059 0.000 1.145 82 D HN 1.475 nan 8.370 nan 0.000 0.501 83 G N 0.260 108.978 108.800 -0.136 0.000 2.232 83 G HA2 -0.207 3.754 3.960 0.001 0.000 0.226 83 G HA3 -0.207 3.754 3.960 0.001 0.000 0.226 83 G C 0.314 175.251 174.900 0.061 0.000 0.996 83 G CA 0.244 45.323 45.100 -0.035 0.000 0.626 83 G HN 1.059 nan 8.290 nan 0.000 0.509 84 S N -0.510 115.207 115.700 0.029 0.000 2.578 84 S HA 0.802 5.273 4.470 0.001 0.000 0.301 84 S C -0.591 174.050 174.600 0.069 0.000 1.091 84 S CA -0.621 57.707 58.200 0.213 0.000 1.032 84 S CB 2.109 65.536 63.200 0.379 0.000 1.064 84 S HN 0.539 nan 8.310 nan 0.000 0.508 85 W N 1.647 123.031 121.300 0.139 0.000 2.915 85 W HA 0.429 5.089 4.660 0.001 0.000 0.337 85 W C -1.034 175.538 176.519 0.088 0.000 1.102 85 W CA -1.017 56.389 57.345 0.102 0.000 1.224 85 W CB 1.980 31.511 29.460 0.119 0.000 1.416 85 W HN 0.539 nan 8.180 nan 0.000 0.503 86 I N 3.885 124.621 120.570 0.277 0.000 2.379 86 I HA 0.151 4.321 4.170 0.001 0.000 0.290 86 I C 0.093 176.251 176.117 0.069 0.000 1.063 86 I CA -0.550 60.835 61.300 0.143 0.000 1.351 86 I CB 0.072 38.070 38.000 -0.002 0.000 1.410 86 I HN -0.113 nan 8.210 nan 0.000 0.505 87 V N 7.964 127.866 119.914 -0.019 0.000 2.448 87 V HA 0.441 4.562 4.120 0.001 0.000 0.295 87 V C 0.301 176.273 176.094 -0.204 0.000 1.025 87 V CA -0.896 61.234 62.300 -0.283 0.000 0.859 87 V CB 1.981 33.569 31.823 -0.393 0.000 0.988 87 V HN 0.624 nan 8.190 nan 0.000 0.431 88 R N 5.039 125.303 120.500 -0.395 0.000 2.265 88 R HA 0.719 5.059 4.340 0.001 0.000 0.319 88 R C -1.058 175.061 176.300 -0.302 0.000 1.006 88 R CA -0.421 55.471 56.100 -0.346 0.000 0.880 88 R CB 1.556 31.509 30.300 -0.578 0.000 1.077 88 R HN 0.594 nan 8.270 nan 0.000 0.454 89 I N 1.741 122.356 120.570 0.074 0.000 2.465 89 I HA 0.456 4.626 4.170 0.001 0.000 0.291 89 I C -0.294 175.971 176.117 0.246 0.000 1.014 89 I CA -0.918 60.461 61.300 0.132 0.000 1.093 89 I CB 2.163 40.239 38.000 0.127 0.000 1.267 89 I HN 0.602 nan 8.210 nan 0.000 0.431 90 A N 6.228 129.114 122.820 0.109 0.000 2.330 90 A HA 0.818 5.138 4.320 0.001 0.000 0.327 90 A C -1.519 175.972 177.584 -0.155 0.000 1.155 90 A CA -0.327 51.800 52.037 0.149 0.000 0.803 90 A CB 0.636 19.738 19.000 0.171 0.000 1.208 90 A HN 0.646 nan 8.150 nan 0.000 0.477 91 Y N 2.274 122.687 120.300 0.189 0.000 2.391 91 Y HA 0.474 5.025 4.550 0.001 0.000 0.341 91 Y C -2.289 173.716 175.900 0.175 0.000 0.965 91 Y CA -2.534 55.662 58.100 0.160 0.000 1.067 91 Y CB 2.303 40.974 38.460 0.352 0.000 1.199 91 Y HN 0.500 nan 8.280 nan 0.000 0.450 92 P HA -0.005 nan 4.420 nan 0.000 0.276 92 P C 0.439 177.805 177.300 0.110 0.000 1.230 92 P CA -0.254 62.892 63.100 0.076 0.000 0.776 92 P CB 0.560 32.213 31.700 -0.078 0.000 0.888 93 F N 2.940 123.052 119.950 0.270 0.000 2.333 93 F HA -0.164 4.363 4.527 0.001 0.000 0.300 93 F C 1.812 177.754 175.800 0.236 0.000 1.083 93 F CA 1.162 59.328 58.000 0.278 0.000 1.395 93 F CB -1.741 37.356 39.000 0.162 0.000 1.056 93 F HN 0.430 nan 8.300 nan 0.000 0.529 94 H N -0.180 118.668 119.070 -0.371 0.000 2.543 94 H HA 0.445 5.002 4.556 0.001 0.000 0.269 94 H C 1.588 176.845 175.328 -0.118 0.000 1.005 94 H CA 0.565 56.522 56.048 -0.152 0.000 1.146 94 H CB -0.670 28.897 29.762 -0.325 0.000 1.353 94 H HN 0.410 nan 8.280 nan 0.000 0.595 95 A N 0.489 123.016 122.820 -0.488 0.000 2.167 95 A HA 0.183 4.504 4.320 0.001 0.000 0.214 95 A C 0.051 177.252 177.584 -0.639 0.000 1.151 95 A CA -0.001 51.645 52.037 -0.651 0.000 0.735 95 A CB -0.250 18.263 19.000 -0.812 0.000 0.802 95 A HN 0.206 nan 8.150 nan 0.000 0.467 96 F N -0.507 119.425 119.950 -0.030 0.000 2.522 96 F HA 0.409 4.937 4.527 0.001 0.000 0.324 96 F C 0.383 176.184 175.800 0.002 0.000 1.077 96 F CA -1.270 56.718 58.000 -0.019 0.000 0.944 96 F CB 1.038 40.018 39.000 -0.033 0.000 1.175 96 F HN 0.121 nan 8.300 nan 0.000 0.468 97 E N 2.142 122.445 120.200 0.172 0.000 2.465 97 E HA -0.015 4.335 4.350 0.001 0.000 0.260 97 E C -0.466 176.170 176.600 0.060 0.000 0.980 97 E CA -0.234 56.220 56.400 0.091 0.000 0.927 97 E CB 0.467 30.200 29.700 0.055 0.000 0.934 97 E HN 0.579 nan 8.360 nan 0.000 0.459 98 E N 2.678 122.897 120.200 0.030 0.000 2.452 98 E HA 0.059 4.409 4.350 0.001 0.000 0.261 98 E C 0.228 176.767 176.600 -0.102 0.000 0.987 98 E CA 0.561 56.937 56.400 -0.039 0.000 0.926 98 E CB 0.455 30.129 29.700 -0.042 0.000 0.934 98 E HN 0.729 nan 8.360 nan 0.000 0.452 99 A N 3.755 126.456 122.820 -0.198 0.000 2.640 99 A HA -0.227 4.093 4.320 0.001 0.000 0.300 99 A C 0.025 177.494 177.584 -0.191 0.000 1.499 99 A CA 1.010 52.881 52.037 -0.277 0.000 0.759 99 A CB -1.580 17.268 19.000 -0.254 0.000 1.048 99 A HN 0.522 nan 8.150 nan 0.000 0.450 100 N N -0.314 118.296 118.700 -0.150 0.000 2.762 100 N HA 0.378 5.118 4.740 0.001 0.000 0.252 100 N C 0.375 175.838 175.510 -0.078 0.000 1.269 100 N CA -0.258 52.744 53.050 -0.079 0.000 0.799 100 N CB 0.585 39.055 38.487 -0.028 0.000 1.173 100 N HN 0.382 nan 8.380 nan 0.000 0.516 101 L N 4.658 125.848 121.223 -0.056 0.000 2.017 101 L HA 0.221 4.561 4.340 0.001 0.000 0.208 101 L C -1.003 175.813 176.870 -0.090 0.000 1.073 101 L CA 2.014 56.835 54.840 -0.033 0.000 0.745 101 L CB -0.947 41.186 42.059 0.123 0.000 0.894 101 L HN 0.337 nan 8.230 nan 0.000 0.432 102 P HA -0.123 nan 4.420 nan 0.000 0.216 102 P C 1.597 178.876 177.300 -0.035 0.000 1.153 102 P CA 1.900 64.992 63.100 -0.013 0.000 0.858 102 P CB -0.390 31.359 31.700 0.081 0.000 0.789 103 G N -0.006 108.786 108.800 -0.012 0.000 2.403 103 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 103 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 103 G C 1.423 176.332 174.900 0.015 0.000 1.154 103 G CA 0.134 45.245 45.100 0.019 0.000 0.784 103 G HN 0.201 nan 8.290 nan 0.000 0.538 104 L N 0.254 121.430 121.223 -0.078 0.000 1.994 104 L HA -0.017 4.323 4.340 0.001 0.000 0.208 104 L C 2.687 179.442 176.870 -0.192 0.000 1.071 104 L CA 1.595 56.292 54.840 -0.239 0.000 0.745 104 L CB -0.875 40.928 42.059 -0.427 0.000 0.892 104 L HN 0.098 nan 8.230 nan 0.000 0.431 105 L N 0.806 121.902 121.223 -0.212 0.000 2.081 105 L HA -0.172 4.168 4.340 0.001 0.000 0.212 105 L C 2.950 179.756 176.870 -0.106 0.000 1.080 105 L CA 1.987 56.689 54.840 -0.230 0.000 0.754 105 L CB -1.759 40.060 42.059 -0.399 0.000 0.893 105 L HN 0.368 nan 8.230 nan 0.000 0.433 106 A N -1.146 121.642 122.820 -0.052 0.000 1.972 106 A HA -0.207 4.113 4.320 0.001 0.000 0.219 106 A C 2.518 180.112 177.584 0.016 0.000 1.169 106 A CA 2.054 54.093 52.037 0.003 0.000 0.635 106 A CB -0.584 18.432 19.000 0.027 0.000 0.810 106 A HN 0.570 nan 8.150 nan 0.000 0.446 107 S N 0.213 115.933 115.700 0.033 0.000 2.404 107 S HA -0.010 4.460 4.470 0.001 0.000 0.223 107 S C 1.510 176.116 174.600 0.009 0.000 1.040 107 S CA 0.936 59.172 58.200 0.060 0.000 0.957 107 S CB -0.624 62.685 63.200 0.181 0.000 0.826 107 S HN 0.823 nan 8.310 nan 0.000 0.491 108 I N -0.377 120.166 120.570 -0.044 0.000 3.883 108 I HA 0.664 4.834 4.170 0.001 0.000 0.326 108 I C 0.959 177.091 176.117 0.025 0.000 1.283 108 I CA -0.262 61.031 61.300 -0.012 0.000 1.161 108 I CB 0.248 38.158 38.000 -0.149 0.000 1.012 108 I HN 0.341 nan 8.210 nan 0.000 0.421 109 A N -0.025 122.783 122.820 -0.022 0.000 2.758 109 A HA 0.804 5.124 4.320 0.001 0.000 0.223 109 A C 0.685 178.370 177.584 0.168 0.000 0.877 109 A CA 0.025 52.117 52.037 0.092 0.000 1.152 109 A CB -0.727 18.362 19.000 0.148 0.000 1.239 109 A HN 0.391 nan 8.150 nan 0.000 0.470 110 G N 0.094 108.903 108.800 0.015 0.000 3.345 110 G HA2 0.253 4.213 3.960 0.001 0.000 0.202 110 G HA3 0.253 4.213 3.960 0.001 0.000 0.202 110 G C 0.678 175.622 174.900 0.073 0.000 1.740 110 G CA 0.260 45.404 45.100 0.074 0.000 0.806 110 G HN 0.170 nan 8.290 nan 0.000 0.718 111 N N 1.309 120.023 118.700 0.023 0.000 2.348 111 N HA -0.124 4.617 4.740 0.001 0.000 0.185 111 N C 2.368 177.858 175.510 -0.033 0.000 1.019 111 N CA 1.288 54.352 53.050 0.023 0.000 0.880 111 N CB -0.417 38.078 38.487 0.013 0.000 0.965 111 N HN 0.615 nan 8.380 nan 0.000 0.437 112 I N -2.505 117.962 120.570 -0.172 0.000 2.423 112 I HA -0.208 3.962 4.170 0.001 0.000 0.254 112 I C 1.370 177.351 176.117 -0.226 0.000 1.151 112 I CA 1.310 62.437 61.300 -0.287 0.000 1.421 112 I CB -0.738 36.967 38.000 -0.492 0.000 1.079 112 I HN -0.204 nan 8.210 nan 0.000 0.431 113 F N 2.394 122.339 119.950 -0.009 0.000 2.365 113 F HA 0.060 4.587 4.527 0.001 0.000 0.300 113 F C 2.428 178.323 175.800 0.157 0.000 1.090 113 F CA 1.243 59.280 58.000 0.062 0.000 1.408 113 F CB -0.643 38.369 39.000 0.021 0.000 1.060 113 F HN 0.170 nan 8.300 nan 0.000 0.534 114 G N -1.066 107.867 108.800 0.221 0.000 3.277 114 G HA2 0.208 4.169 3.960 0.001 0.000 0.243 114 G HA3 0.208 4.169 3.960 0.001 0.000 0.243 114 G C 0.536 175.473 174.900 0.063 0.000 1.107 114 G CA -0.328 44.860 45.100 0.146 0.000 0.771 114 G HN 0.053 nan 8.290 nan 0.000 0.544 115 M N 0.580 120.196 119.600 0.027 0.000 2.239 115 M HA 0.182 4.662 4.480 0.001 0.000 0.348 115 M C 1.221 177.502 176.300 -0.032 0.000 1.239 115 M CA 0.211 55.495 55.300 -0.028 0.000 1.114 115 M CB 1.310 33.860 32.600 -0.084 0.000 1.641 115 M HN -0.053 nan 8.290 nan 0.000 0.453 116 K N 1.241 121.611 120.400 -0.051 0.000 2.439 116 K HA -0.081 4.239 4.320 0.001 0.000 0.197 116 K C 1.692 178.222 176.600 -0.116 0.000 1.041 116 K CA 0.823 57.080 56.287 -0.050 0.000 0.970 116 K CB 0.042 32.523 32.500 -0.032 0.000 0.773 116 K HN 0.496 nan 8.250 nan 0.000 0.479 117 R N 1.098 121.468 120.500 -0.216 0.000 2.307 117 R HA -0.019 4.322 4.340 0.001 0.000 0.199 117 R C -0.073 176.095 176.300 -0.221 0.000 1.000 117 R CA 0.342 56.181 56.100 -0.434 0.000 1.023 117 R CB 0.366 30.373 30.300 -0.489 0.000 0.908 117 R HN -0.001 nan 8.270 nan 0.000 0.473 118 V N -1.700 118.160 119.914 -0.091 0.000 2.540 118 V HA 0.354 4.475 4.120 0.001 0.000 0.302 118 V C 0.422 176.547 176.094 0.052 0.000 1.035 118 V CA -1.005 61.298 62.300 0.005 0.000 0.873 118 V CB 1.958 33.793 31.823 0.020 0.000 0.992 118 V HN -0.009 nan 8.190 nan 0.000 0.428 119 K N 3.217 123.665 120.400 0.080 0.000 2.243 119 K HA 0.400 4.720 4.320 0.001 0.000 0.201 119 K C 0.683 177.331 176.600 0.080 0.000 1.051 119 K CA 1.138 57.463 56.287 0.062 0.000 0.970 119 K CB 0.183 32.719 32.500 0.060 0.000 0.755 119 K HN 1.126 nan 8.250 nan 0.000 0.465 120 G N 0.657 109.572 108.800 0.192 0.000 2.759 120 G HA2 0.495 4.456 3.960 0.001 0.000 0.297 120 G HA3 0.495 4.456 3.960 0.001 0.000 0.297 120 G C -2.391 172.778 174.900 0.447 0.000 1.434 120 G CA -0.679 44.650 45.100 0.382 0.000 0.980 120 G HN 0.064 nan 8.290 nan 0.000 0.531 121 L N 1.148 122.739 121.223 0.614 0.000 2.491 121 L HA 0.735 5.076 4.340 0.001 0.000 0.267 121 L C -0.404 176.677 176.870 0.353 0.000 0.971 121 L CA -0.720 54.326 54.840 0.344 0.000 0.857 121 L CB 1.783 43.948 42.059 0.177 0.000 1.226 121 L HN 0.614 nan 8.230 nan 0.000 0.408 122 R N 4.448 125.169 120.500 0.369 0.000 2.393 122 R HA 0.567 4.908 4.340 0.001 0.000 0.315 122 R C -1.310 175.211 176.300 0.367 0.000 0.952 122 R CA -0.889 55.412 56.100 0.334 0.000 0.842 122 R CB 1.295 31.717 30.300 0.204 0.000 1.163 122 R HN 0.666 nan 8.270 nan 0.000 0.450 123 L N 4.977 126.421 121.223 0.368 0.000 2.407 123 L HA 0.150 4.490 4.340 0.001 0.000 0.282 123 L C 0.561 177.438 176.870 0.012 0.000 1.110 123 L CA 0.685 55.556 54.840 0.052 0.000 0.863 123 L CB 0.836 42.943 42.059 0.079 0.000 1.207 123 L HN 0.760 nan 8.230 nan 0.000 0.454 124 E N 2.318 122.491 120.200 -0.046 0.000 2.190 124 E HA 0.068 4.419 4.350 0.001 0.000 0.191 124 E C -0.112 176.520 176.600 0.053 0.000 0.978 124 E CA 0.510 56.916 56.400 0.011 0.000 0.839 124 E CB 0.342 30.072 29.700 0.051 0.000 0.787 124 E HN 0.696 nan 8.360 nan 0.000 0.473 125 D N -1.033 119.353 120.400 -0.023 0.000 2.648 125 D HA 0.330 4.970 4.640 0.001 0.000 0.244 125 D C -1.576 174.666 176.300 -0.096 0.000 1.244 125 D CA -0.488 53.546 54.000 0.057 0.000 0.772 125 D CB 1.380 42.263 40.800 0.139 0.000 1.379 125 D HN -0.145 nan 8.370 nan 0.000 0.428 126 L N 3.063 124.204 121.223 -0.136 0.000 2.372 126 L HA 0.332 4.672 4.340 0.001 0.000 0.273 126 L C -1.142 175.558 176.870 -0.283 0.000 0.989 126 L CA -0.999 53.672 54.840 -0.283 0.000 0.841 126 L CB 1.614 43.330 42.059 -0.571 0.000 1.225 126 L HN 0.418 nan 8.230 nan 0.000 0.414 127 Y N 4.556 124.769 120.300 -0.144 0.000 2.365 127 Y HA 0.436 4.987 4.550 0.001 0.000 0.340 127 Y C -1.051 174.910 175.900 0.102 0.000 1.016 127 Y CA -0.278 57.791 58.100 -0.051 0.000 1.196 127 Y CB 0.509 39.010 38.460 0.068 0.000 1.167 127 Y HN 0.248 nan 8.280 nan 0.000 0.509 128 F N 8.332 127.812 119.950 -0.784 0.000 2.427 128 F HA 0.442 4.969 4.527 0.001 0.000 0.346 128 F C -2.088 173.147 175.800 -0.943 0.000 1.120 128 F CA -3.520 54.096 58.000 -0.640 0.000 1.033 128 F CB 1.107 39.878 39.000 -0.382 0.000 1.126 128 F HN 0.454 nan 8.300 nan 0.000 0.462 129 P HA 0.037 nan 4.420 nan 0.000 0.272 129 P C 0.774 177.992 177.300 -0.136 0.000 1.240 129 P CA -0.103 62.902 63.100 -0.158 0.000 0.791 129 P CB 1.007 32.752 31.700 0.074 0.000 0.978 130 E N 1.318 121.479 120.200 -0.065 0.000 2.147 130 E HA -0.280 4.070 4.350 0.001 0.000 0.199 130 E C 1.785 178.212 176.600 -0.287 0.000 1.005 130 E CA 1.628 57.896 56.400 -0.219 0.000 0.810 130 E CB -0.080 29.366 29.700 -0.423 0.000 0.736 130 E HN 0.361 nan 8.360 nan 0.000 0.460 131 K N -0.142 120.081 120.400 -0.296 0.000 2.063 131 K HA -0.184 4.136 4.320 0.001 0.000 0.208 131 K C 2.092 178.488 176.600 -0.340 0.000 1.048 131 K CA 1.208 57.269 56.287 -0.376 0.000 0.928 131 K CB -0.009 32.117 32.500 -0.624 0.000 0.713 131 K HN 0.091 nan 8.250 nan 0.000 0.442 132 L N 0.823 121.852 121.223 -0.323 0.000 2.131 132 L HA -0.096 4.244 4.340 0.001 0.000 0.206 132 L C 2.057 178.874 176.870 -0.088 0.000 1.087 132 L CA 0.859 55.505 54.840 -0.323 0.000 0.767 132 L CB -0.284 41.432 42.059 -0.573 0.000 0.917 132 L HN 0.208 nan 8.230 nan 0.000 0.441 133 I N -0.212 120.343 120.570 -0.025 0.000 2.208 133 I HA -0.304 3.866 4.170 0.001 0.000 0.245 133 I C 2.259 178.459 176.117 0.139 0.000 1.097 133 I CA 1.490 62.864 61.300 0.125 0.000 1.363 133 I CB -0.959 37.086 38.000 0.076 0.000 1.051 133 I HN 0.324 nan 8.210 nan 0.000 0.413 134 R N 0.559 121.037 120.500 -0.038 0.000 2.339 134 R HA -0.065 4.275 4.340 0.001 0.000 0.199 134 R C 1.491 177.741 176.300 -0.084 0.000 1.018 134 R CA 0.237 56.297 56.100 -0.066 0.000 1.036 134 R CB -0.087 30.118 30.300 -0.159 0.000 0.899 134 R HN 0.494 nan 8.270 nan 0.000 0.473 135 E N -0.415 119.710 120.200 -0.125 0.000 2.502 135 E HA 0.016 4.367 4.350 0.001 0.000 0.194 135 E C -0.446 175.903 176.600 -0.418 0.000 1.062 135 E CA 0.326 56.546 56.400 -0.300 0.000 0.867 135 E CB 0.292 29.719 29.700 -0.454 0.000 0.888 135 E HN 0.098 nan 8.360 nan 0.000 0.510 136 F N -0.410 119.512 119.950 -0.047 0.000 2.541 136 F HA 0.238 4.765 4.527 0.001 0.000 0.331 136 F C 1.226 177.030 175.800 0.006 0.000 1.057 136 F CA -0.904 57.095 58.000 -0.002 0.000 0.975 136 F CB 1.248 40.271 39.000 0.038 0.000 1.246 136 F HN -0.230 nan 8.300 nan 0.000 0.484 137 D N 0.370 120.898 120.400 0.213 0.000 2.388 137 D HA 0.212 4.852 4.640 0.001 0.000 0.208 137 D C 1.107 177.479 176.300 0.120 0.000 1.035 137 D CA 1.034 55.106 54.000 0.119 0.000 0.875 137 D CB 0.458 41.298 40.800 0.066 0.000 0.984 137 D HN 0.734 nan 8.370 nan 0.000 0.508 138 G N 1.985 110.880 108.800 0.159 0.000 2.804 138 G HA2 -0.226 3.734 3.960 0.001 0.000 0.230 138 G HA3 -0.226 3.734 3.960 0.001 0.000 0.230 138 G C -2.682 172.259 174.900 0.068 0.000 1.386 138 G CA -0.969 44.192 45.100 0.101 0.000 0.875 138 G HN -0.008 nan 8.290 nan 0.000 0.557 139 P HA 0.412 nan 4.420 nan 0.000 0.268 139 P C 0.759 178.084 177.300 0.041 0.000 1.205 139 P CA 0.845 63.975 63.100 0.050 0.000 0.771 139 P CB 0.905 32.627 31.700 0.036 0.000 0.858 140 A N 1.985 124.842 122.820 0.060 0.000 1.970 140 A HA -0.036 4.284 4.320 0.001 0.000 0.216 140 A C 1.411 178.899 177.584 -0.159 0.000 1.170 140 A CA 1.313 53.320 52.037 -0.049 0.000 0.645 140 A CB -1.074 17.892 19.000 -0.057 0.000 0.816 140 A HN 0.504 nan 8.150 nan 0.000 0.447 141 F N -1.067 118.866 119.950 -0.029 0.000 2.399 141 F HA 0.413 4.941 4.527 0.001 0.000 0.282 141 F C 1.756 177.542 175.800 -0.023 0.000 1.027 141 F CA 0.765 58.751 58.000 -0.024 0.000 1.333 141 F CB -0.443 38.538 39.000 -0.032 0.000 1.132 141 F HN 0.446 nan 8.300 nan 0.000 0.590 142 G N 1.116 110.026 108.800 0.184 0.000 2.752 142 G HA2 -0.286 3.674 3.960 0.001 0.000 0.234 142 G HA3 -0.286 3.674 3.960 0.001 0.000 0.234 142 G C 0.714 175.623 174.900 0.014 0.000 1.367 142 G CA -0.103 45.027 45.100 0.050 0.000 0.879 142 G HN 0.258 nan 8.290 nan 0.000 0.563 143 I N 0.698 121.148 120.570 -0.201 0.000 2.151 143 I HA -0.241 3.929 4.170 0.001 0.000 0.243 143 I C 2.798 178.799 176.117 -0.195 0.000 1.080 143 I CA 2.812 63.797 61.300 -0.524 0.000 1.339 143 I CB -0.356 37.188 38.000 -0.761 0.000 1.039 143 I HN 0.868 nan 8.210 nan 0.000 0.409 144 E N 1.212 121.354 120.200 -0.097 0.000 2.106 144 E HA -0.127 4.223 4.350 0.001 0.000 0.192 144 E C 2.141 178.783 176.600 0.071 0.000 0.984 144 E CA 1.460 57.850 56.400 -0.017 0.000 0.806 144 E CB -0.822 28.862 29.700 -0.027 0.000 0.750 144 E HN 0.381 nan 8.360 nan 0.000 0.458 145 G N 0.692 109.565 108.800 0.123 0.000 2.408 145 G HA2 -0.167 3.793 3.960 0.001 0.000 0.217 145 G HA3 -0.167 3.793 3.960 0.001 0.000 0.217 145 G C 1.690 176.782 174.900 0.321 0.000 1.150 145 G CA 0.895 46.145 45.100 0.251 0.000 0.776 145 G HN 0.224 nan 8.290 nan 0.000 0.542 146 V N 0.648 120.735 119.914 0.287 0.000 2.283 146 V HA -0.115 4.005 4.120 0.001 0.000 0.243 146 V C 2.883 179.147 176.094 0.283 0.000 1.039 146 V CA 1.671 64.144 62.300 0.289 0.000 1.016 146 V CB -0.490 31.585 31.823 0.419 0.000 0.650 146 V HN 0.270 nan 8.190 nan 0.000 0.449 147 R N 0.082 120.762 120.500 0.301 0.000 2.103 147 R HA -0.217 4.123 4.340 0.001 0.000 0.242 147 R C 2.470 178.867 176.300 0.162 0.000 1.142 147 R CA 1.622 57.862 56.100 0.235 0.000 0.960 147 R CB -0.400 30.004 30.300 0.174 0.000 0.858 147 R HN 0.391 nan 8.270 nan 0.000 0.439 148 K N 1.070 121.557 120.400 0.146 0.000 2.097 148 K HA -0.121 4.200 4.320 0.001 0.000 0.205 148 K C 2.103 178.780 176.600 0.129 0.000 1.050 148 K CA 1.217 57.575 56.287 0.119 0.000 0.938 148 K CB -0.067 32.497 32.500 0.106 0.000 0.718 148 K HN 0.167 nan 8.250 nan 0.000 0.442 149 M N 0.428 120.125 119.600 0.161 0.000 2.132 149 M HA -0.123 4.357 4.480 0.001 0.000 0.263 149 M C 1.410 177.786 176.300 0.128 0.000 1.065 149 M CA 1.498 56.887 55.300 0.148 0.000 1.122 149 M CB 0.046 32.734 32.600 0.146 0.000 1.365 149 M HN 0.045 nan 8.290 nan 0.000 0.411 150 L N 0.111 121.418 121.223 0.140 0.000 2.591 150 L HA 0.135 4.476 4.340 0.001 0.000 0.228 150 L C 0.166 177.093 176.870 0.096 0.000 1.133 150 L CA 0.106 55.017 54.840 0.119 0.000 0.880 150 L CB -0.425 41.713 42.059 0.131 0.000 1.033 150 L HN 0.393 nan 8.230 nan 0.000 0.450 151 E N 0.826 121.084 120.200 0.097 0.000 2.360 151 E HA -0.217 4.134 4.350 0.001 0.000 0.238 151 E C -0.350 176.295 176.600 0.076 0.000 1.186 151 E CA 0.298 56.745 56.400 0.079 0.000 0.719 151 E CB -1.133 28.604 29.700 0.062 0.000 1.236 151 E HN 0.450 nan 8.360 nan 0.000 0.386 152 I N -0.569 120.058 120.570 0.096 0.000 2.405 152 I HA 0.200 4.371 4.170 0.001 0.000 0.280 152 I C 1.293 177.472 176.117 0.104 0.000 1.027 152 I CA -0.069 61.287 61.300 0.094 0.000 1.161 152 I CB 1.103 39.165 38.000 0.104 0.000 1.300 152 I HN 0.143 nan 8.210 nan 0.000 0.463 153 K N 3.539 123.985 120.400 0.077 0.000 2.116 153 K HA -0.020 4.301 4.320 0.001 0.000 0.203 153 K C 1.059 177.700 176.600 0.068 0.000 1.052 153 K CA 1.459 57.787 56.287 0.068 0.000 0.952 153 K CB -0.093 32.435 32.500 0.048 0.000 0.729 153 K HN 0.663 nan 8.250 nan 0.000 0.446 154 D N -1.413 119.027 120.400 0.067 0.000 2.680 154 D HA 0.059 4.700 4.640 0.001 0.000 0.295 154 D C 0.464 176.805 176.300 0.068 0.000 1.097 154 D CA -0.100 53.934 54.000 0.057 0.000 0.952 154 D CB 0.364 41.185 40.800 0.036 0.000 1.491 154 D HN 0.494 nan 8.370 nan 0.000 0.486 155 R N 2.152 122.689 120.500 0.062 0.000 2.679 155 R HA 0.369 4.709 4.340 0.001 0.000 0.269 155 R C -2.671 173.681 176.300 0.087 0.000 1.076 155 R CA -1.110 55.022 56.100 0.053 0.000 1.160 155 R CB -0.808 29.509 30.300 0.030 0.000 1.054 155 R HN -0.220 nan 8.270 nan 0.000 0.507 156 P HA -0.041 nan 4.420 nan 0.000 0.268 156 P C -0.393 176.944 177.300 0.061 0.000 1.208 156 P CA -0.020 63.125 63.100 0.076 0.000 0.777 156 P CB 0.314 32.038 31.700 0.041 0.000 0.875 157 I N 2.398 122.972 120.570 0.006 0.000 2.575 157 I HA 0.146 4.316 4.170 0.001 0.000 0.285 157 I C 0.135 176.328 176.117 0.128 0.000 1.085 157 I CA -0.433 60.884 61.300 0.029 0.000 1.403 157 I CB -0.714 37.224 38.000 -0.103 0.000 1.409 157 I HN 0.404 nan 8.210 nan 0.000 0.557 158 Y N 4.298 124.580 120.300 -0.030 0.000 2.462 158 Y HA 0.788 5.339 4.550 0.001 0.000 0.346 158 Y C -0.246 175.348 175.900 -0.511 0.000 0.976 158 Y CA -0.915 57.092 58.100 -0.156 0.000 1.044 158 Y CB 1.937 40.305 38.460 -0.153 0.000 1.230 158 Y HN 0.725 nan 8.280 nan 0.000 0.455 159 G N 2.564 110.477 108.800 -1.478 0.000 2.608 159 G HA2 0.566 4.526 3.960 0.001 0.000 0.291 159 G HA3 0.566 4.526 3.960 0.001 0.000 0.291 159 G C -2.519 171.589 174.900 -1.319 0.000 1.425 159 G CA -0.788 42.851 45.100 -2.436 0.000 0.787 159 G HN 0.676 nan 8.290 nan 0.000 0.484 160 V N -0.136 119.218 119.914 -0.935 0.000 2.709 160 V HA 0.552 4.672 4.120 0.001 0.000 0.308 160 V C -0.317 175.688 176.094 -0.149 0.000 1.062 160 V CA -0.748 61.320 62.300 -0.387 0.000 0.901 160 V CB 1.920 33.548 31.823 -0.325 0.000 1.003 160 V HN 0.659 nan 8.190 nan 0.000 0.425 161 V N 6.242 126.140 119.914 -0.026 0.000 2.364 161 V HA 0.313 4.434 4.120 0.001 0.000 0.272 161 V C -2.256 173.855 176.094 0.029 0.000 1.036 161 V CA -1.992 60.340 62.300 0.053 0.000 0.880 161 V CB 1.384 33.267 31.823 0.100 0.000 0.991 161 V HN 0.734 nan 8.190 nan 0.000 0.460 162 P HA 0.067 nan 4.420 nan 0.000 0.261 162 P C -0.511 176.773 177.300 -0.026 0.000 1.183 162 P CA 0.364 63.408 63.100 -0.093 0.000 0.761 162 P CB 0.297 31.811 31.700 -0.311 0.000 0.785 163 K N 4.451 124.833 120.400 -0.031 0.000 2.270 163 K HA 0.459 4.779 4.320 0.001 0.000 0.255 163 K C -2.322 174.287 176.600 0.014 0.000 0.936 163 K CA -2.061 54.246 56.287 0.033 0.000 0.809 163 K CB 1.108 33.635 32.500 0.044 0.000 1.131 163 K HN 0.284 nan 8.250 nan 0.000 0.427 164 P HA 0.136 nan 4.420 nan 0.000 0.269 164 P C 0.321 177.744 177.300 0.204 0.000 1.215 164 P CA -0.211 62.958 63.100 0.115 0.000 0.780 164 P CB 0.936 32.696 31.700 0.101 0.000 0.898 165 K N 0.114 120.599 120.400 0.142 0.000 2.020 165 K HA -0.071 4.249 4.320 0.001 0.000 0.212 165 K C 1.057 177.759 176.600 0.170 0.000 1.050 165 K CA 1.671 58.044 56.287 0.145 0.000 0.929 165 K CB -0.426 32.116 32.500 0.070 0.000 0.714 165 K HN 0.510 nan 8.250 nan 0.000 0.443 166 V N -5.855 114.094 119.914 0.058 0.000 3.160 166 V HA 0.780 4.901 4.120 0.001 0.000 0.310 166 V C 0.379 176.347 176.094 -0.211 0.000 1.181 166 V CA -0.383 61.850 62.300 -0.111 0.000 1.047 166 V CB 1.543 33.338 31.823 -0.046 0.000 1.068 166 V HN 0.422 nan 8.190 nan 0.000 0.441 167 G N 0.303 108.794 108.800 -0.514 0.000 2.184 167 G HA2 -0.139 3.821 3.960 0.001 0.000 0.206 167 G HA3 -0.139 3.821 3.960 0.001 0.000 0.206 167 G C -0.357 174.403 174.900 -0.232 0.000 0.995 167 G CA 0.244 45.037 45.100 -0.511 0.000 0.651 167 G HN 2.185 nan 8.290 nan 0.000 0.511 168 Y N 1.247 121.477 120.300 -0.117 0.000 2.496 168 Y HA 0.838 5.388 4.550 0.001 0.000 0.331 168 Y C 0.478 176.384 175.900 0.009 0.000 1.140 168 Y CA -1.027 57.053 58.100 -0.034 0.000 1.166 168 Y CB 1.110 39.579 38.460 0.015 0.000 1.249 168 Y HN 0.493 nan 8.280 nan 0.000 0.479 169 S N 0.227 116.040 115.700 0.189 0.000 2.713 169 S HA 0.460 4.930 4.470 0.001 0.000 0.283 169 S C -2.235 172.484 174.600 0.198 0.000 1.161 169 S CA -1.440 56.827 58.200 0.111 0.000 0.999 169 S CB 1.700 64.958 63.200 0.097 0.000 1.039 169 S HN 0.558 nan 8.310 nan 0.000 0.548 170 P HA -0.045 nan 4.420 nan 0.000 0.216 170 P C 0.941 178.352 177.300 0.183 0.000 1.150 170 P CA 1.199 64.393 63.100 0.156 0.000 0.837 170 P CB -0.022 31.710 31.700 0.053 0.000 0.786 171 E N -0.031 120.236 120.200 0.112 0.000 2.077 171 E HA -0.190 4.161 4.350 0.001 0.000 0.193 171 E C 1.938 178.581 176.600 0.073 0.000 0.989 171 E CA 1.294 57.736 56.400 0.069 0.000 0.800 171 E CB -0.743 28.985 29.700 0.048 0.000 0.746 171 E HN 0.425 nan 8.360 nan 0.000 0.452 172 E N -0.266 120.006 120.200 0.120 0.000 2.072 172 E HA -0.153 4.197 4.350 0.001 0.000 0.191 172 E C 1.788 178.447 176.600 0.098 0.000 0.985 172 E CA 0.782 57.243 56.400 0.101 0.000 0.801 172 E CB -0.231 29.549 29.700 0.134 0.000 0.750 172 E HN 0.205 nan 8.360 nan 0.000 0.452 173 F N 2.383 122.350 119.950 0.027 0.000 2.126 173 F HA -0.234 4.293 4.527 0.001 0.000 0.299 173 F C 2.223 177.973 175.800 -0.083 0.000 1.096 173 F CA 1.943 59.918 58.000 -0.043 0.000 1.255 173 F CB -0.171 38.881 39.000 0.087 0.000 0.997 173 F HN -0.048 nan 8.300 nan 0.000 0.479 174 E N 0.180 120.286 120.200 -0.157 0.000 2.085 174 E HA -0.331 4.020 4.350 0.001 0.000 0.194 174 E C 2.219 178.678 176.600 -0.235 0.000 0.994 174 E CA 1.706 57.946 56.400 -0.267 0.000 0.801 174 E CB -0.202 29.425 29.700 -0.122 0.000 0.743 174 E HN 0.309 nan 8.360 nan 0.000 0.453 175 K N 0.389 120.701 120.400 -0.145 0.000 2.001 175 K HA -0.132 4.188 4.320 0.001 0.000 0.208 175 K C 2.093 178.633 176.600 -0.101 0.000 1.048 175 K CA 1.154 57.385 56.287 -0.094 0.000 0.932 175 K CB -0.628 31.835 32.500 -0.062 0.000 0.715 175 K HN 0.200 nan 8.250 nan 0.000 0.437 176 L N 0.665 121.790 121.223 -0.162 0.000 1.989 176 L HA -0.121 4.219 4.340 0.001 0.000 0.211 176 L C 2.166 178.878 176.870 -0.263 0.000 1.071 176 L CA 2.374 57.102 54.840 -0.186 0.000 0.749 176 L CB -1.082 40.863 42.059 -0.191 0.000 0.890 176 L HN 0.273 nan 8.230 nan 0.000 0.431 177 A N -1.438 121.105 122.820 -0.461 0.000 1.883 177 A HA -0.327 3.994 4.320 0.001 0.000 0.217 177 A C 2.319 179.725 177.584 -0.296 0.000 1.186 177 A CA 2.073 53.808 52.037 -0.504 0.000 0.624 177 A CB -1.347 17.120 19.000 -0.888 0.000 0.822 177 A HN 0.672 nan 8.150 nan 0.000 0.444 178 Y N 1.147 121.255 120.300 -0.320 0.000 2.128 178 Y HA -0.250 4.300 4.550 0.001 0.000 0.284 178 Y C 1.990 177.785 175.900 -0.175 0.000 1.154 178 Y CA 2.150 60.117 58.100 -0.221 0.000 1.149 178 Y CB -0.271 38.078 38.460 -0.184 0.000 0.976 178 Y HN 0.365 nan 8.280 nan 0.000 0.505 179 D N 0.200 120.516 120.400 -0.140 0.000 2.084 179 D HA -0.200 4.441 4.640 0.001 0.000 0.194 179 D C 2.357 178.517 176.300 -0.233 0.000 0.990 179 D CA 1.874 55.767 54.000 -0.179 0.000 0.826 179 D CB -0.569 40.187 40.800 -0.073 0.000 0.971 179 D HN 0.403 nan 8.370 nan 0.000 0.453 180 L N 0.017 121.111 121.223 -0.214 0.000 1.994 180 L HA -0.185 4.156 4.340 0.001 0.000 0.208 180 L C 2.418 179.143 176.870 -0.241 0.000 1.071 180 L CA 0.566 55.282 54.840 -0.207 0.000 0.745 180 L CB -0.440 41.484 42.059 -0.225 0.000 0.892 180 L HN 0.055 nan 8.230 nan 0.000 0.431 181 L N -0.483 120.569 121.223 -0.286 0.000 2.127 181 L HA -0.197 4.144 4.340 0.001 0.000 0.211 181 L C 2.623 179.332 176.870 -0.269 0.000 1.089 181 L CA 1.559 56.236 54.840 -0.272 0.000 0.757 181 L CB -0.966 40.938 42.059 -0.258 0.000 0.899 181 L HN 0.130 nan 8.230 nan 0.000 0.434 182 S N -0.817 114.661 115.700 -0.369 0.000 2.461 182 S HA 0.018 4.488 4.470 0.001 0.000 0.228 182 S C 1.289 175.756 174.600 -0.222 0.000 1.005 182 S CA 0.500 58.476 58.200 -0.372 0.000 0.942 182 S CB -0.177 62.649 63.200 -0.623 0.000 0.776 182 S HN 0.505 nan 8.310 nan 0.000 0.514 183 N N 0.111 118.701 118.700 -0.183 0.000 2.328 183 N HA 0.239 4.980 4.740 0.001 0.000 0.247 183 N C 0.811 176.288 175.510 -0.055 0.000 1.165 183 N CA 0.545 53.530 53.050 -0.109 0.000 0.873 183 N CB 1.331 39.756 38.487 -0.102 0.000 1.125 183 N HN 0.465 nan 8.380 nan 0.000 0.513 184 G N 0.350 109.116 108.800 -0.056 0.000 2.380 184 G HA2 -0.202 3.758 3.960 0.001 0.000 0.197 184 G HA3 -0.202 3.758 3.960 0.001 0.000 0.197 184 G C 0.260 175.179 174.900 0.032 0.000 1.001 184 G CA -0.104 45.004 45.100 0.013 0.000 0.668 184 G HN 0.465 nan 8.290 nan 0.000 0.483 185 A N 0.823 123.581 122.820 -0.102 0.000 2.511 185 A HA 0.486 4.806 4.320 0.001 0.000 0.242 185 A C 1.165 178.541 177.584 -0.347 0.000 1.069 185 A CA 1.075 52.853 52.037 -0.433 0.000 0.763 185 A CB 0.229 18.893 19.000 -0.559 0.000 1.001 185 A HN 0.227 nan 8.150 nan 0.000 0.498 186 D N -0.099 120.054 120.400 -0.413 0.000 2.213 186 D HA 0.100 4.740 4.640 0.001 0.000 0.205 186 D C 0.007 176.203 176.300 -0.172 0.000 0.961 186 D CA 1.870 55.757 54.000 -0.189 0.000 0.853 186 D CB 0.046 40.824 40.800 -0.037 0.000 0.967 186 D HN 0.738 nan 8.370 nan 0.000 0.496 187 Y N -1.996 118.045 120.300 -0.431 0.000 2.609 187 Y HA 0.511 5.062 4.550 0.001 0.000 0.336 187 Y C -0.679 174.938 175.900 -0.472 0.000 1.129 187 Y CA -1.467 56.341 58.100 -0.487 0.000 1.040 187 Y CB 0.672 38.619 38.460 -0.855 0.000 1.310 187 Y HN -0.397 nan 8.280 nan 0.000 0.460 191 D N 1.117 121.564 120.400 0.078 0.000 2.399 191 D HA -0.012 4.628 4.640 0.001 0.000 0.241 191 D C 1.439 177.679 176.300 -0.101 0.000 1.133 191 D CA 0.049 54.054 54.000 0.009 0.000 0.890 191 D CB 1.092 41.921 40.800 0.048 0.000 1.201 191 D HN 0.391 nan 8.370 nan 0.000 0.432 192 E N 2.570 122.602 120.200 -0.281 0.000 2.265 192 E HA -0.227 4.123 4.350 0.001 0.000 0.196 192 E C 0.692 177.176 176.600 -0.193 0.000 0.996 192 E CA 0.987 57.139 56.400 -0.413 0.000 0.832 192 E CB -0.271 28.853 29.700 -0.959 0.000 0.756 192 E HN 0.491 nan 8.360 nan 0.000 0.491 193 N N 0.930 119.561 118.700 -0.115 0.000 2.280 193 N HA 0.001 4.741 4.740 0.001 0.000 0.192 193 N C 0.271 175.757 175.510 -0.040 0.000 1.109 193 N CA -0.273 52.741 53.050 -0.060 0.000 0.855 193 N CB -0.236 38.233 38.487 -0.031 0.000 0.974 193 N HN 0.108 nan 8.380 nan 0.000 0.482 194 L N 2.104 123.302 121.223 -0.041 0.000 2.283 194 L HA 0.359 4.699 4.340 0.001 0.000 0.287 194 L C 0.777 177.626 176.870 -0.034 0.000 1.073 194 L CA 0.141 54.954 54.840 -0.044 0.000 0.822 194 L CB 0.633 42.671 42.059 -0.035 0.000 1.186 194 L HN 0.317 nan 8.230 nan 0.000 0.436 195 T N -0.222 114.296 114.554 -0.058 0.000 2.233 195 T HA 0.281 4.631 4.350 0.001 0.000 0.172 195 T C 0.421 175.111 174.700 -0.017 0.000 0.740 195 T CA 0.247 62.334 62.100 -0.023 0.000 1.172 195 T CB 0.212 69.048 68.868 -0.053 0.000 2.941 195 T HN 0.307 nan 8.240 nan 0.000 0.398 196 S N 3.026 118.680 115.700 -0.078 0.000 2.399 196 S HA 0.460 4.931 4.470 0.001 0.000 0.198 196 S C -2.686 171.797 174.600 -0.195 0.000 1.294 196 S CA -1.227 56.921 58.200 -0.087 0.000 1.237 196 S CB -0.006 63.198 63.200 0.006 0.000 1.286 196 S HN 0.520 nan 8.310 nan 0.000 0.404 197 P HA 0.192 nan 4.420 nan 0.000 0.277 197 P C 1.553 178.509 177.300 -0.574 0.000 1.271 197 P CA -0.693 62.077 63.100 -0.549 0.000 0.795 197 P CB 0.270 31.328 31.700 -1.069 0.000 1.101 198 W N 1.428 122.535 121.300 -0.322 0.000 2.342 198 W HA -0.236 4.425 4.660 0.001 0.000 0.297 198 W C 1.500 177.935 176.519 -0.141 0.000 1.213 198 W CA 1.262 58.516 57.345 -0.152 0.000 1.251 198 W CB -2.059 27.387 29.460 -0.023 0.000 1.136 198 W HN 0.380 nan 8.180 nan 0.000 0.526 199 Y N 0.270 119.987 120.300 -0.971 0.000 2.583 199 Y HA 0.317 4.867 4.550 0.001 0.000 0.293 199 Y C 0.577 176.207 175.900 -0.449 0.000 1.157 199 Y CA 0.568 58.118 58.100 -0.917 0.000 1.315 199 Y CB -0.974 36.597 38.460 -1.482 0.000 1.021 199 Y HN -0.105 nan 8.280 nan 0.000 0.536 200 N N 1.201 119.542 118.700 -0.599 0.000 2.976 200 N HA 0.087 4.827 4.740 0.001 0.000 0.220 200 N C -1.498 173.831 175.510 -0.302 0.000 1.428 200 N CA -0.256 52.570 53.050 -0.373 0.000 0.748 200 N CB 0.655 38.897 38.487 -0.409 0.000 1.484 200 N HN 0.064 nan 8.380 nan 0.000 0.578 201 R N 1.526 121.931 120.500 -0.159 0.000 2.491 201 R HA 0.107 4.448 4.340 0.001 0.000 0.283 201 R C 1.348 177.657 176.300 0.015 0.000 1.072 201 R CA -0.341 55.727 56.100 -0.055 0.000 1.048 201 R CB 0.150 30.450 30.300 -0.001 0.000 0.983 201 R HN 0.474 nan 8.270 nan 0.000 0.450 202 F N 3.359 123.280 119.950 -0.049 0.000 2.091 202 F HA -0.331 4.197 4.527 0.001 0.000 0.299 202 F C 2.401 178.250 175.800 0.081 0.000 1.103 202 F CA 2.796 60.816 58.000 0.032 0.000 1.228 202 F CB 0.013 39.027 39.000 0.023 0.000 0.984 202 F HN 0.741 nan 8.300 nan 0.000 0.477 203 E N 0.185 120.531 120.200 0.243 0.000 2.150 203 E HA -0.200 4.150 4.350 0.001 0.000 0.193 203 E C 1.882 178.494 176.600 0.020 0.000 0.985 203 E CA 1.505 57.997 56.400 0.153 0.000 0.814 203 E CB -0.927 28.868 29.700 0.160 0.000 0.752 203 E HN 0.738 nan 8.360 nan 0.000 0.466 204 E N -0.615 119.583 120.200 -0.003 0.000 2.072 204 E HA -0.084 4.266 4.350 0.001 0.000 0.190 204 E C 2.421 178.969 176.600 -0.085 0.000 0.982 204 E CA 0.901 57.283 56.400 -0.030 0.000 0.803 204 E CB -0.078 29.613 29.700 -0.016 0.000 0.755 204 E HN 0.397 nan 8.360 nan 0.000 0.453 205 R N 0.640 121.052 120.500 -0.146 0.000 2.083 205 R HA -0.176 4.165 4.340 0.001 0.000 0.237 205 R C 2.236 178.261 176.300 -0.459 0.000 1.137 205 R CA 1.504 57.441 56.100 -0.272 0.000 0.951 205 R CB -0.222 29.877 30.300 -0.337 0.000 0.851 205 R HN 0.155 nan 8.270 nan 0.000 0.434 206 A N 0.835 123.440 122.820 -0.358 0.000 1.877 206 A HA -0.160 4.160 4.320 0.001 0.000 0.216 206 A C 1.915 179.409 177.584 -0.150 0.000 1.186 206 A CA 1.505 53.401 52.037 -0.236 0.000 0.620 206 A CB -0.433 18.565 19.000 -0.003 0.000 0.822 206 A HN 0.343 nan 8.150 nan 0.000 0.443 207 E N -0.144 120.000 120.200 -0.092 0.000 2.077 207 E HA -0.172 4.179 4.350 0.001 0.000 0.193 207 E C 1.995 178.541 176.600 -0.089 0.000 0.989 207 E CA 1.178 57.544 56.400 -0.056 0.000 0.800 207 E CB -0.387 29.295 29.700 -0.030 0.000 0.746 207 E HN 0.727 nan 8.360 nan 0.000 0.452 208 I N 0.622 121.118 120.570 -0.124 0.000 2.226 208 I HA -0.270 3.900 4.170 0.001 0.000 0.245 208 I C 2.457 178.459 176.117 -0.191 0.000 1.100 208 I CA 0.893 62.114 61.300 -0.131 0.000 1.374 208 I CB -0.132 37.815 38.000 -0.088 0.000 1.057 208 I HN 0.097 nan 8.210 nan 0.000 0.413 209 M N 0.040 119.457 119.600 -0.305 0.000 2.156 209 M HA -0.085 4.396 4.480 0.001 0.000 0.264 209 M C 2.605 178.822 176.300 -0.139 0.000 1.067 209 M CA 1.685 56.782 55.300 -0.338 0.000 1.131 209 M CB -1.395 30.776 32.600 -0.715 0.000 1.368 209 M HN 0.269 nan 8.290 nan 0.000 0.416 210 A N 0.561 123.334 122.820 -0.077 0.000 1.917 210 A HA -0.229 4.092 4.320 0.001 0.000 0.219 210 A C 2.347 179.920 177.584 -0.019 0.000 1.182 210 A CA 2.198 54.234 52.037 -0.001 0.000 0.633 210 A CB -0.713 18.298 19.000 0.019 0.000 0.819 210 A HN 0.523 nan 8.150 nan 0.000 0.448 211 K N -0.257 120.115 120.400 -0.047 0.000 2.031 211 K HA -0.047 4.273 4.320 0.001 0.000 0.205 211 K C 1.885 178.462 176.600 -0.040 0.000 1.049 211 K CA 1.604 57.865 56.287 -0.042 0.000 0.939 211 K CB -0.320 32.146 32.500 -0.056 0.000 0.717 211 K HN 0.474 nan 8.250 nan 0.000 0.438 212 I N 1.223 121.754 120.570 -0.065 0.000 2.394 212 I HA -0.236 3.934 4.170 0.001 0.000 0.251 212 I C 2.313 178.424 176.117 -0.011 0.000 1.136 212 I CA 0.806 62.087 61.300 -0.031 0.000 1.425 212 I CB -0.089 37.857 38.000 -0.089 0.000 1.079 212 I HN 0.188 nan 8.210 nan 0.000 0.425 213 I N 0.564 121.117 120.570 -0.029 0.000 2.226 213 I HA -0.297 3.873 4.170 0.001 0.000 0.245 213 I C 2.054 178.177 176.117 0.010 0.000 1.100 213 I CA 1.359 62.655 61.300 -0.007 0.000 1.374 213 I CB -0.417 37.598 38.000 0.025 0.000 1.057 213 I HN 0.221 nan 8.210 nan 0.000 0.413 214 D N 0.781 121.189 120.400 0.013 0.000 2.144 214 D HA -0.204 4.437 4.640 0.001 0.000 0.199 214 D C 2.058 178.371 176.300 0.022 0.000 0.984 214 D CA 1.184 55.194 54.000 0.018 0.000 0.834 214 D CB -0.129 40.680 40.800 0.014 0.000 0.955 214 D HN 0.261 nan 8.370 nan 0.000 0.465 215 K N 0.584 121.002 120.400 0.030 0.000 1.985 215 K HA -0.101 4.220 4.320 0.001 0.000 0.210 215 K C 2.036 178.680 176.600 0.073 0.000 1.047 215 K CA 0.929 57.252 56.287 0.061 0.000 0.932 215 K CB -0.057 32.498 32.500 0.092 0.000 0.716 215 K HN -0.100 nan 8.250 nan 0.000 0.439 216 V N 1.813 121.760 119.914 0.054 0.000 2.490 216 V HA -0.221 3.899 4.120 0.001 0.000 0.250 216 V C 2.017 178.097 176.094 -0.023 0.000 1.061 216 V CA 1.882 64.167 62.300 -0.026 0.000 1.064 216 V CB -0.467 31.288 31.823 -0.113 0.000 0.670 216 V HN 0.389 nan 8.190 nan 0.000 0.461 217 E N 0.037 120.235 120.200 -0.004 0.000 2.072 217 E HA -0.197 4.153 4.350 0.001 0.000 0.191 217 E C 2.201 178.806 176.600 0.009 0.000 0.985 217 E CA 0.994 57.395 56.400 0.003 0.000 0.801 217 E CB -0.267 29.442 29.700 0.015 0.000 0.750 217 E HN 0.557 nan 8.360 nan 0.000 0.452 218 N N 1.299 120.008 118.700 0.015 0.000 2.120 218 N HA -0.195 4.545 4.740 0.001 0.000 0.188 218 N C 1.442 176.960 175.510 0.015 0.000 1.024 218 N CA 1.295 54.355 53.050 0.016 0.000 0.852 218 N CB 0.159 38.658 38.487 0.020 0.000 1.003 218 N HN 0.264 nan 8.380 nan 0.000 0.424 219 E N -1.069 119.142 120.200 0.017 0.000 2.170 219 E HA -0.043 4.307 4.350 0.001 0.000 0.191 219 E C 1.613 178.210 176.600 -0.005 0.000 0.981 219 E CA 1.389 57.798 56.400 0.014 0.000 0.830 219 E CB 0.098 29.819 29.700 0.035 0.000 0.775 219 E HN 0.550 nan 8.360 nan 0.000 0.470 220 T N -3.436 111.108 114.554 -0.017 0.000 3.014 220 T HA 0.239 4.589 4.350 0.001 0.000 0.250 220 T C 1.691 176.385 174.700 -0.010 0.000 1.060 220 T CA 0.381 62.467 62.100 -0.024 0.000 1.040 220 T CB 0.604 69.445 68.868 -0.045 0.000 0.971 220 T HN 0.234 nan 8.240 nan 0.000 0.497 221 G N 1.409 110.207 108.800 -0.002 0.000 2.175 221 G HA2 -0.257 3.704 3.960 0.001 0.000 0.265 221 G HA3 -0.257 3.704 3.960 0.001 0.000 0.265 221 G C -0.169 174.736 174.900 0.008 0.000 0.979 221 G CA 0.508 45.611 45.100 0.006 0.000 0.663 221 G HN 0.672 nan 8.290 nan 0.000 0.533 222 E N -0.207 119.994 120.200 0.001 0.000 2.239 222 E HA 0.593 4.943 4.350 0.001 0.000 0.261 222 E C -0.033 176.573 176.600 0.011 0.000 1.016 222 E CA -0.963 55.441 56.400 0.006 0.000 0.882 222 E CB 0.874 30.571 29.700 -0.005 0.000 1.190 222 E HN -0.017 nan 8.360 nan 0.000 0.415 223 K N 1.698 122.112 120.400 0.024 0.000 2.156 223 K HA 0.414 4.734 4.320 0.001 0.000 0.271 223 K C -0.415 176.203 176.600 0.030 0.000 0.995 223 K CA -0.605 55.704 56.287 0.037 0.000 0.890 223 K CB 1.156 33.691 32.500 0.059 0.000 1.073 223 K HN 0.281 nan 8.250 nan 0.000 0.454 224 K N 0.676 121.096 120.400 0.033 0.000 2.444 224 K HA 0.558 4.879 4.320 0.001 0.000 0.252 224 K C -0.175 176.469 176.600 0.073 0.000 0.993 224 K CA -0.698 55.602 56.287 0.022 0.000 0.847 224 K CB 2.264 34.751 32.500 -0.022 0.000 1.340 224 K HN 0.641 nan 8.250 nan 0.000 0.446 225 T N -0.654 113.947 114.554 0.079 0.000 2.731 225 T HA 0.610 4.960 4.350 0.001 0.000 0.300 225 T C -2.086 172.715 174.700 0.168 0.000 1.283 225 T CA -0.566 61.630 62.100 0.159 0.000 1.005 225 T CB 0.886 69.897 68.868 0.237 0.000 1.420 225 T HN 0.531 nan 8.240 nan 0.000 0.503 226 W N 2.941 124.255 121.300 0.023 0.000 2.884 226 W HA 0.633 5.294 4.660 0.001 0.000 0.336 226 W C -2.214 174.408 176.519 0.171 0.000 1.038 226 W CA -1.895 55.450 57.345 -0.000 0.000 1.247 226 W CB 0.775 30.262 29.460 0.046 0.000 1.351 226 W HN 0.401 nan 8.180 nan 0.000 0.446 227 F N 5.879 125.589 119.950 -0.399 0.000 2.464 227 F HA 0.513 5.041 4.527 0.001 0.000 0.353 227 F C 0.873 176.170 175.800 -0.837 0.000 1.191 227 F CA -1.429 56.237 58.000 -0.557 0.000 1.147 227 F CB -0.483 38.199 39.000 -0.529 0.000 1.294 227 F HN 0.446 nan 8.300 nan 0.000 0.583 228 A N 3.204 125.461 122.820 -0.938 0.000 2.309 228 A HA 0.326 4.647 4.320 0.001 0.000 0.290 228 A C 0.346 177.792 177.584 -0.230 0.000 1.206 228 A CA -0.625 50.736 52.037 -1.128 0.000 0.850 228 A CB 0.017 17.997 19.000 -1.699 0.000 1.118 228 A HN 0.547 nan 8.150 nan 0.000 0.523 229 N N 2.738 121.427 118.700 -0.018 0.000 2.402 229 N HA 0.124 4.865 4.740 0.001 0.000 0.252 229 N C 0.804 176.378 175.510 0.106 0.000 1.118 229 N CA -0.375 52.704 53.050 0.049 0.000 0.945 229 N CB 0.262 38.763 38.487 0.022 0.000 1.147 229 N HN 0.637 nan 8.380 nan 0.000 0.495 230 I N -0.215 120.327 120.570 -0.047 0.000 3.578 230 I HA 0.171 4.342 4.170 0.001 0.000 0.295 230 I C 0.012 176.009 176.117 -0.201 0.000 1.280 230 I CA -0.169 60.972 61.300 -0.264 0.000 1.347 230 I CB -0.414 37.432 38.000 -0.256 0.000 1.051 230 I HN 0.106 nan 8.210 nan 0.000 0.460 231 T N 3.592 118.076 114.554 -0.117 0.000 2.765 231 T HA 0.348 4.699 4.350 0.001 0.000 0.275 231 T C 0.166 174.808 174.700 -0.097 0.000 1.007 231 T CA 0.846 62.888 62.100 -0.097 0.000 1.175 231 T CB 0.092 68.912 68.868 -0.080 0.000 0.993 231 T HN 0.727 nan 8.240 nan 0.000 0.510 232 A N 3.611 126.381 122.820 -0.084 0.000 2.375 232 A HA 0.485 4.805 4.320 0.001 0.000 0.299 232 A C -1.188 176.366 177.584 -0.050 0.000 1.044 232 A CA -1.018 50.976 52.037 -0.072 0.000 0.585 232 A CB 0.464 19.404 19.000 -0.100 0.000 1.438 232 A HN 0.623 nan 8.150 nan 0.000 0.574 233 D N 0.693 121.071 120.400 -0.038 0.000 2.378 233 D HA 0.102 4.742 4.640 0.001 0.000 0.238 233 D C 1.435 177.724 176.300 -0.018 0.000 1.180 233 D CA -0.327 53.659 54.000 -0.023 0.000 0.895 233 D CB 0.689 41.479 40.800 -0.017 0.000 1.192 233 D HN 0.464 nan 8.370 nan 0.000 0.438 234 L N 1.429 122.651 121.223 -0.000 0.000 1.997 234 L HA -0.236 4.105 4.340 0.001 0.000 0.216 234 L C 2.297 179.186 176.870 0.032 0.000 1.074 234 L CA 1.700 56.556 54.840 0.027 0.000 0.763 234 L CB -0.503 41.571 42.059 0.025 0.000 0.890 234 L HN 0.469 nan 8.230 nan 0.000 0.434 235 L N -0.520 120.712 121.223 0.015 0.000 2.083 235 L HA -0.243 4.098 4.340 0.001 0.000 0.209 235 L C 2.451 179.319 176.870 -0.003 0.000 1.083 235 L CA 1.286 56.137 54.840 0.018 0.000 0.752 235 L CB -0.487 41.578 42.059 0.009 0.000 0.899 235 L HN 0.264 nan 8.230 nan 0.000 0.433 236 E N -0.196 119.986 120.200 -0.031 0.000 2.106 236 E HA -0.181 4.169 4.350 0.001 0.000 0.192 236 E C 2.277 178.804 176.600 -0.122 0.000 0.984 236 E CA 1.194 57.549 56.400 -0.075 0.000 0.806 236 E CB -0.148 29.501 29.700 -0.085 0.000 0.750 236 E HN 0.380 nan 8.360 nan 0.000 0.458 237 M N 0.075 119.620 119.600 -0.092 0.000 2.117 237 M HA -0.184 4.296 4.480 0.001 0.000 0.262 237 M C 2.002 178.257 176.300 -0.074 0.000 1.065 237 M CA 1.496 56.729 55.300 -0.111 0.000 1.114 237 M CB -0.370 32.196 32.600 -0.058 0.000 1.361 237 M HN 0.111 nan 8.290 nan 0.000 0.408 238 E N 0.239 120.442 120.200 0.005 0.000 2.058 238 E HA -0.240 4.111 4.350 0.001 0.000 0.194 238 E C 2.079 178.690 176.600 0.018 0.000 0.997 238 E CA 1.290 57.724 56.400 0.057 0.000 0.801 238 E CB -0.180 29.591 29.700 0.118 0.000 0.746 238 E HN 0.572 nan 8.360 nan 0.000 0.450 239 Q N 0.328 120.114 119.800 -0.024 0.000 2.061 239 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 239 Q C 2.230 178.175 176.000 -0.092 0.000 0.984 239 Q CA 1.405 57.184 55.803 -0.040 0.000 0.846 239 Q CB -0.085 28.625 28.738 -0.048 0.000 0.902 239 Q HN 0.159 nan 8.270 nan 0.000 0.421 240 R N 0.095 120.464 120.500 -0.217 0.000 2.090 240 R HA -0.052 4.288 4.340 0.001 0.000 0.228 240 R C 2.298 178.501 176.300 -0.161 0.000 1.110 240 R CA 0.792 56.651 56.100 -0.402 0.000 0.973 240 R CB -0.214 29.445 30.300 -1.069 0.000 0.869 240 R HN 0.210 nan 8.270 nan 0.000 0.440 241 L N 0.631 121.778 121.223 -0.126 0.000 2.042 241 L HA -0.220 4.121 4.340 0.001 0.000 0.210 241 L C 2.605 179.301 176.870 -0.290 0.000 1.076 241 L CA 1.516 56.307 54.840 -0.083 0.000 0.749 241 L CB -0.400 41.699 42.059 0.067 0.000 0.893 241 L HN 0.298 nan 8.230 nan 0.000 0.432 242 E N -0.069 119.977 120.200 -0.257 0.000 2.106 242 E HA -0.185 4.165 4.350 0.001 0.000 0.192 242 E C 2.247 178.726 176.600 -0.201 0.000 0.984 242 E CA 1.163 57.345 56.400 -0.363 0.000 0.806 242 E CB 0.160 29.801 29.700 -0.100 0.000 0.750 242 E HN 0.255 nan 8.360 nan 0.000 0.458 243 V N 1.355 121.244 119.914 -0.042 0.000 2.332 243 V HA -0.286 3.834 4.120 0.001 0.000 0.248 243 V C 2.422 178.563 176.094 0.077 0.000 1.055 243 V CA 1.557 63.902 62.300 0.075 0.000 1.038 243 V CB -0.408 31.564 31.823 0.249 0.000 0.651 243 V HN 0.346 nan 8.190 nan 0.000 0.450 244 L N -0.224 121.047 121.223 0.080 0.000 2.027 244 L HA -0.135 4.206 4.340 0.001 0.000 0.206 244 L C 2.738 179.595 176.870 -0.022 0.000 1.074 244 L CA 1.573 56.458 54.840 0.076 0.000 0.745 244 L CB -0.822 41.281 42.059 0.073 0.000 0.898 244 L HN 0.354 nan 8.230 nan 0.000 0.433 245 A N -0.092 122.618 122.820 -0.184 0.000 1.877 245 A HA -0.240 4.080 4.320 0.001 0.000 0.216 245 A C 1.923 179.457 177.584 -0.083 0.000 1.186 245 A CA 2.014 53.933 52.037 -0.196 0.000 0.620 245 A CB -0.586 18.085 19.000 -0.548 0.000 0.822 245 A HN 0.357 nan 8.150 nan 0.000 0.443 246 D N -0.436 119.912 120.400 -0.086 0.000 2.182 246 D HA -0.100 4.540 4.640 0.001 0.000 0.201 246 D C 1.375 177.682 176.300 0.011 0.000 0.986 246 D CA 0.820 54.807 54.000 -0.021 0.000 0.847 246 D CB -0.157 40.636 40.800 -0.012 0.000 0.942 246 D HN 0.249 nan 8.370 nan 0.000 0.467 247 L N -0.399 120.838 121.223 0.024 0.000 2.599 247 L HA 0.198 4.538 4.340 0.001 0.000 0.230 247 L C 1.620 178.520 176.870 0.050 0.000 1.141 247 L CA 0.617 55.483 54.840 0.044 0.000 0.877 247 L CB -0.836 41.265 42.059 0.070 0.000 1.009 247 L HN 0.148 nan 8.230 nan 0.000 0.447 248 G N -0.262 108.565 108.800 0.044 0.000 2.179 248 G HA2 -0.298 3.662 3.960 0.001 0.000 0.257 248 G HA3 -0.298 3.662 3.960 0.001 0.000 0.257 248 G C 0.529 175.472 174.900 0.072 0.000 1.010 248 G CA 0.521 45.653 45.100 0.054 0.000 0.736 248 G HN 0.332 nan 8.290 nan 0.000 0.513 249 L N -1.532 119.743 121.223 0.087 0.000 2.479 249 L HA 0.487 4.827 4.340 0.001 0.000 0.248 249 L C 1.752 178.670 176.870 0.080 0.000 1.205 249 L CA 0.013 54.928 54.840 0.125 0.000 0.817 249 L CB 0.551 42.730 42.059 0.201 0.000 1.162 249 L HN 0.120 nan 8.230 nan 0.000 0.486 250 K N -1.472 118.979 120.400 0.085 0.000 2.474 250 K HA 0.216 4.536 4.320 0.001 0.000 0.204 250 K C -0.495 175.965 176.600 -0.234 0.000 1.220 250 K CA -0.114 56.149 56.287 -0.040 0.000 0.966 250 K CB 0.737 33.241 32.500 0.006 0.000 1.049 250 K HN 0.436 nan 8.250 nan 0.000 0.554 251 H N -0.399 118.626 119.070 -0.076 0.000 2.690 251 H HA 0.564 5.120 4.556 0.001 0.000 0.368 251 H C -1.342 173.886 175.328 -0.167 0.000 1.150 251 H CA -0.658 55.299 56.048 -0.152 0.000 1.174 251 H CB 2.093 31.809 29.762 -0.078 0.000 1.684 251 H HN 0.119 nan 8.280 nan 0.000 0.538 252 A N 3.227 126.007 122.820 -0.067 0.000 2.343 252 A HA 0.513 4.833 4.320 0.001 0.000 0.316 252 A C -0.686 176.844 177.584 -0.089 0.000 1.104 252 A CA -0.772 51.216 52.037 -0.082 0.000 0.768 252 A CB 0.875 19.842 19.000 -0.056 0.000 1.213 252 A HN 0.731 nan 8.150 nan 0.000 0.456 253 M N 3.299 122.846 119.600 -0.089 0.000 2.363 253 M HA 0.720 5.201 4.480 0.001 0.000 0.343 253 M C -1.796 174.467 176.300 -0.062 0.000 1.165 253 M CA -0.358 54.917 55.300 -0.041 0.000 1.046 253 M CB 1.321 33.933 32.600 0.019 0.000 1.648 253 M HN 0.398 nan 8.290 nan 0.000 0.452 254 V N 3.425 123.289 119.914 -0.083 0.000 2.668 254 V HA 0.258 4.379 4.120 0.001 0.000 0.304 254 V C -1.317 174.699 176.094 -0.129 0.000 1.071 254 V CA -0.931 61.301 62.300 -0.113 0.000 0.894 254 V CB 2.175 33.916 31.823 -0.137 0.000 1.008 254 V HN 0.788 nan 8.190 nan 0.000 0.425 255 D N 3.330 123.665 120.400 -0.108 0.000 2.416 255 D HA 0.112 4.753 4.640 0.001 0.000 0.240 255 D C 1.311 177.515 176.300 -0.161 0.000 1.250 255 D CA 0.120 54.063 54.000 -0.095 0.000 0.967 255 D CB 1.417 42.177 40.800 -0.066 0.000 1.059 255 D HN 0.489 nan 8.370 nan 0.000 0.512 256 V N 0.684 120.430 119.914 -0.279 0.000 2.427 256 V HA -0.213 3.907 4.120 0.001 0.000 0.248 256 V C 1.924 177.812 176.094 -0.344 0.000 1.051 256 V CA 0.927 62.976 62.300 -0.418 0.000 1.048 256 V CB -0.691 30.628 31.823 -0.841 0.000 0.666 256 V HN 0.284 nan 8.190 nan 0.000 0.456 257 V N 0.624 120.404 119.914 -0.224 0.000 2.307 257 V HA -0.181 3.939 4.120 0.001 0.000 0.245 257 V C 2.540 178.599 176.094 -0.059 0.000 1.045 257 V CA 2.509 64.770 62.300 -0.066 0.000 1.024 257 V CB -0.561 31.318 31.823 0.093 0.000 0.651 257 V HN 0.456 nan 8.190 nan 0.000 0.449 258 I N -0.058 120.486 120.570 -0.043 0.000 2.226 258 I HA -0.232 3.938 4.170 0.001 0.000 0.245 258 I C 2.563 178.645 176.117 -0.059 0.000 1.100 258 I CA 1.772 63.055 61.300 -0.027 0.000 1.374 258 I CB -0.685 37.303 38.000 -0.020 0.000 1.057 258 I HN 0.301 nan 8.210 nan 0.000 0.413 259 T N 0.270 114.767 114.554 -0.095 0.000 2.684 259 T HA 0.017 4.368 4.350 0.001 0.000 0.267 259 T C 0.960 175.603 174.700 -0.095 0.000 1.036 259 T CA 1.341 63.388 62.100 -0.089 0.000 1.148 259 T CB -0.557 68.246 68.868 -0.108 0.000 0.863 259 T HN 0.697 nan 8.240 nan 0.000 0.436 260 G N -0.756 107.930 108.800 -0.191 0.000 2.661 260 G HA2 -0.145 3.815 3.960 0.001 0.000 0.685 260 G HA3 -0.145 3.815 3.960 0.001 0.000 0.685 260 G C 0.088 174.859 174.900 -0.215 0.000 1.298 260 G CA -0.240 44.710 45.100 -0.250 0.000 0.855 260 G HN 0.386 nan 8.290 nan 0.000 0.560 261 W N 0.376 121.740 121.300 0.106 0.000 2.518 261 W HA 0.250 4.911 4.660 0.001 0.000 0.273 261 W C 2.543 179.114 176.519 0.087 0.000 1.247 261 W CA 0.952 58.362 57.345 0.107 0.000 1.288 261 W CB -0.125 29.381 29.460 0.077 0.000 1.107 261 W HN 0.939 nan 8.180 nan 0.000 0.586 262 G N 0.611 109.560 108.800 0.249 0.000 2.442 262 G HA2 -0.136 3.824 3.960 0.001 0.000 0.219 262 G HA3 -0.136 3.824 3.960 0.001 0.000 0.219 262 G C 1.496 176.473 174.900 0.128 0.000 1.141 262 G CA 1.385 46.581 45.100 0.160 0.000 0.763 262 G HN 0.307 nan 8.290 nan 0.000 0.554 263 A N -1.121 121.771 122.820 0.121 0.000 2.456 263 A HA 0.533 4.853 4.320 0.001 0.000 0.237 263 A C 1.836 179.517 177.584 0.163 0.000 1.217 263 A CA 0.053 52.167 52.037 0.129 0.000 0.962 263 A CB 0.088 19.144 19.000 0.095 0.000 1.079 263 A HN 0.227 nan 8.150 nan 0.000 0.536 264 L N 0.670 121.977 121.223 0.141 0.000 2.017 264 L HA -0.034 4.307 4.340 0.001 0.000 0.208 264 L C 2.344 179.297 176.870 0.139 0.000 1.073 264 L CA 2.328 57.237 54.840 0.115 0.000 0.745 264 L CB -0.767 41.365 42.059 0.123 0.000 0.894 264 L HN 0.539 nan 8.230 nan 0.000 0.432 265 R N -1.959 118.653 120.500 0.186 0.000 2.091 265 R HA -0.274 4.066 4.340 0.001 0.000 0.238 265 R C 2.417 178.799 176.300 0.137 0.000 1.136 265 R CA 1.980 58.179 56.100 0.166 0.000 0.959 265 R CB -0.686 29.712 30.300 0.165 0.000 0.856 265 R HN 0.445 nan 8.270 nan 0.000 0.437 266 Y N 0.872 121.196 120.300 0.041 0.000 2.114 266 Y HA -0.221 4.329 4.550 0.001 0.000 0.284 266 Y C 1.878 177.784 175.900 0.011 0.000 1.143 266 Y CA 1.634 59.745 58.100 0.017 0.000 1.135 266 Y CB -0.217 38.251 38.460 0.014 0.000 0.980 266 Y HN 0.018 nan 8.280 nan 0.000 0.499 267 I N 1.048 121.589 120.570 -0.049 0.000 2.118 267 I HA -0.340 3.831 4.170 0.001 0.000 0.241 267 I C 2.677 178.714 176.117 -0.133 0.000 1.070 267 I CA 1.815 63.034 61.300 -0.135 0.000 1.327 267 I CB -1.469 36.519 38.000 -0.021 0.000 1.034 267 I HN 0.332 nan 8.210 nan 0.000 0.405 268 R N 1.179 121.648 120.500 -0.052 0.000 2.083 268 R HA -0.216 4.124 4.340 0.001 0.000 0.237 268 R C 1.776 178.040 176.300 -0.059 0.000 1.137 268 R CA 2.150 58.233 56.100 -0.027 0.000 0.951 268 R CB -0.517 29.803 30.300 0.033 0.000 0.851 268 R HN 0.317 nan 8.270 nan 0.000 0.434 269 D N 0.865 121.213 120.400 -0.085 0.000 2.104 269 D HA -0.175 4.465 4.640 0.001 0.000 0.194 269 D C 1.933 178.109 176.300 -0.206 0.000 0.994 269 D CA 0.936 54.868 54.000 -0.114 0.000 0.830 269 D CB -0.338 40.411 40.800 -0.086 0.000 0.959 269 D HN 0.148 nan 8.370 nan 0.000 0.452 270 L N 0.794 121.809 121.223 -0.347 0.000 2.042 270 L HA -0.135 4.205 4.340 0.001 0.000 0.210 270 L C 2.154 178.873 176.870 -0.253 0.000 1.076 270 L CA 1.808 56.400 54.840 -0.413 0.000 0.749 270 L CB -0.761 40.993 42.059 -0.508 0.000 0.893 270 L HN -0.006 nan 8.230 nan 0.000 0.432 271 A N -1.017 121.751 122.820 -0.086 0.000 1.930 271 A HA -0.071 4.250 4.320 0.001 0.000 0.217 271 A C 2.436 180.058 177.584 0.064 0.000 1.175 271 A CA 1.602 53.673 52.037 0.055 0.000 0.627 271 A CB -1.030 17.984 19.000 0.024 0.000 0.815 271 A HN 0.522 nan 8.150 nan 0.000 0.443 272 A N 0.252 123.076 122.820 0.008 0.000 1.883 272 A HA -0.210 4.110 4.320 0.001 0.000 0.217 272 A C 1.751 179.328 177.584 -0.011 0.000 1.186 272 A CA 1.960 54.014 52.037 0.028 0.000 0.624 272 A CB -0.674 18.319 19.000 -0.011 0.000 0.822 272 A HN 0.432 nan 8.150 nan 0.000 0.444 273 D N -1.512 118.820 120.400 -0.114 0.000 2.182 273 D HA -0.132 4.509 4.640 0.001 0.000 0.201 273 D C 1.218 177.449 176.300 -0.114 0.000 0.986 273 D CA 1.170 55.067 54.000 -0.173 0.000 0.847 273 D CB -0.295 40.308 40.800 -0.329 0.000 0.942 273 D HN 0.586 nan 8.370 nan 0.000 0.467 274 Y N -0.206 120.099 120.300 0.007 0.000 2.511 274 Y HA 0.262 4.812 4.550 0.001 0.000 0.279 274 Y C 1.777 177.711 175.900 0.056 0.000 1.157 274 Y CA 0.248 58.362 58.100 0.022 0.000 1.300 274 Y CB 0.022 38.487 38.460 0.010 0.000 1.052 274 Y HN -0.008 nan 8.280 nan 0.000 0.529 275 G N 0.852 109.785 108.800 0.221 0.000 2.225 275 G HA2 -0.274 3.686 3.960 0.001 0.000 0.264 275 G HA3 -0.274 3.686 3.960 0.001 0.000 0.264 275 G C -0.335 174.754 174.900 0.315 0.000 1.060 275 G CA 0.047 45.315 45.100 0.279 0.000 0.833 275 G HN 0.265 nan 8.290 nan 0.000 0.498 276 L N 0.070 121.421 121.223 0.214 0.000 2.317 276 L HA 0.781 5.121 4.340 0.001 0.000 0.281 276 L C 0.859 177.604 176.870 -0.210 0.000 1.024 276 L CA -0.639 54.176 54.840 -0.041 0.000 0.810 276 L CB 1.871 43.929 42.059 -0.002 0.000 1.240 276 L HN 0.319 nan 8.230 nan 0.000 0.427 277 A N 4.309 126.668 122.820 -0.769 0.000 2.340 277 A HA 0.663 4.984 4.320 0.001 0.000 0.268 277 A C -0.326 177.028 177.584 -0.384 0.000 1.100 277 A CA -0.315 51.247 52.037 -0.792 0.000 0.803 277 A CB 0.141 18.332 19.000 -1.347 0.000 1.043 277 A HN 0.646 nan 8.150 nan 0.000 0.488 278 I N 1.690 122.148 120.570 -0.187 0.000 2.321 278 I HA 0.223 4.393 4.170 0.001 0.000 0.291 278 I C -0.179 175.854 176.117 -0.140 0.000 0.998 278 I CA -0.369 60.854 61.300 -0.129 0.000 1.227 278 I CB 1.307 39.252 38.000 -0.091 0.000 1.368 278 I HN 0.804 nan 8.210 nan 0.000 0.466 279 H N 4.861 123.755 119.070 -0.293 0.000 2.556 279 H HA 0.574 5.131 4.556 0.001 0.000 0.310 279 H C -0.055 175.137 175.328 -0.227 0.000 1.057 279 H CA -0.366 55.449 56.048 -0.387 0.000 1.264 279 H CB 1.289 30.575 29.762 -0.793 0.000 1.404 279 H HN 0.708 nan 8.280 nan 0.000 0.462 280 G N 4.454 112.865 108.800 -0.648 0.000 2.335 280 G HA2 0.181 4.142 3.960 0.001 0.000 0.316 280 G HA3 0.181 4.142 3.960 0.001 0.000 0.316 280 G C -1.218 173.378 174.900 -0.506 0.000 1.129 280 G CA -0.454 44.352 45.100 -0.491 0.000 0.899 280 G HN 0.761 nan 8.290 nan 0.000 0.448 281 H N 2.333 121.130 119.070 -0.454 0.000 2.459 281 H HA 0.263 4.820 4.556 0.001 0.000 0.332 281 H C 0.726 175.828 175.328 -0.376 0.000 1.094 281 H CA -0.643 55.112 56.048 -0.487 0.000 1.224 281 H CB 1.538 31.093 29.762 -0.345 0.000 1.449 281 H HN 0.657 nan 8.280 nan 0.000 0.484 282 R N 2.991 123.112 120.500 -0.632 0.000 2.426 282 R HA 0.397 4.737 4.340 0.001 0.000 0.263 282 R C 0.330 176.599 176.300 -0.050 0.000 0.961 282 R CA -0.327 55.584 56.100 -0.315 0.000 1.086 282 R CB 0.159 30.204 30.300 -0.426 0.000 1.186 282 R HN 0.355 nan 8.270 nan 0.000 0.537 283 A N 1.851 124.720 122.820 0.081 0.000 2.583 283 A HA 0.049 4.370 4.320 0.001 0.000 0.249 283 A C 0.881 178.516 177.584 0.085 0.000 1.035 283 A CA 1.171 53.311 52.037 0.171 0.000 0.777 283 A CB -0.276 18.862 19.000 0.229 0.000 0.942 283 A HN 0.857 nan 8.150 nan 0.000 0.516 284 M N 0.648 120.265 119.600 0.028 0.000 3.089 284 M HA -0.266 4.215 4.480 0.001 0.000 0.231 284 M C 1.008 177.205 176.300 -0.172 0.000 0.532 284 M CA 1.740 57.025 55.300 -0.026 0.000 0.886 284 M CB -1.966 30.668 32.600 0.057 0.000 3.147 284 M HN 1.252 nan 8.290 nan 0.000 0.307 285 H N -0.061 118.851 119.070 -0.264 0.000 2.387 285 H HA 0.223 4.779 4.556 0.001 0.000 0.299 285 H C 1.647 176.518 175.328 -0.761 0.000 1.099 285 H CA 2.146 57.817 56.048 -0.629 0.000 1.315 285 H CB -0.580 28.968 29.762 -0.356 0.000 1.380 285 H HN 0.505 nan 8.280 nan 0.000 0.513 286 A N 1.069 123.154 122.820 -1.224 0.000 2.172 286 A HA 0.192 4.513 4.320 0.001 0.000 0.216 286 A C 2.538 179.858 177.584 -0.440 0.000 1.154 286 A CA 0.866 52.398 52.037 -0.842 0.000 0.701 286 A CB -1.007 17.582 19.000 -0.686 0.000 0.789 286 A HN 0.717 nan 8.150 nan 0.000 0.465 287 A N -0.512 122.084 122.820 -0.373 0.000 2.070 287 A HA 0.104 4.425 4.320 0.001 0.000 0.220 287 A C 1.540 179.120 177.584 -0.008 0.000 1.159 287 A CA 1.556 53.520 52.037 -0.121 0.000 0.656 287 A CB -0.594 18.414 19.000 0.013 0.000 0.800 287 A HN 1.145 nan 8.150 nan 0.000 0.453 288 F N -3.334 116.588 119.950 -0.046 0.000 2.880 288 F HA 0.213 4.741 4.527 0.001 0.000 0.346 288 F C 1.463 177.246 175.800 -0.029 0.000 1.054 288 F CA 0.581 58.552 58.000 -0.049 0.000 1.151 288 F CB -0.433 38.513 39.000 -0.090 0.000 1.066 288 F HN 0.020 nan 8.300 nan 0.000 0.566 289 T N -2.541 111.844 114.554 -0.281 0.000 3.060 289 T HA 0.192 4.542 4.350 0.001 0.000 0.249 289 T C 1.710 176.389 174.700 -0.035 0.000 1.079 289 T CA 0.380 62.438 62.100 -0.070 0.000 1.013 289 T CB -0.071 68.790 68.868 -0.013 0.000 0.975 289 T HN 0.406 nan 8.240 nan 0.000 0.518 290 R N 1.156 121.614 120.500 -0.070 0.000 2.128 290 R HA 0.170 4.510 4.340 0.001 0.000 0.211 290 R C 0.552 176.856 176.300 0.006 0.000 1.067 290 R CA 0.044 56.117 56.100 -0.044 0.000 1.010 290 R CB -0.042 30.210 30.300 -0.080 0.000 0.922 290 R HN 0.229 nan 8.270 nan 0.000 0.457 291 N N 1.737 120.464 118.700 0.046 0.000 2.431 291 N HA 0.016 4.757 4.740 0.001 0.000 0.265 291 N C -2.085 173.476 175.510 0.085 0.000 1.184 291 N CA -1.594 51.518 53.050 0.104 0.000 0.943 291 N CB 1.631 40.220 38.487 0.170 0.000 1.080 291 N HN 0.043 nan 8.380 nan 0.000 0.477 292 P HA 0.028 nan 4.420 nan 0.000 0.242 292 P C -0.190 176.967 177.300 -0.237 0.000 1.197 292 P CA 0.929 63.934 63.100 -0.159 0.000 0.765 292 P CB 0.029 31.558 31.700 -0.284 0.000 0.936 293 Y N -2.617 117.762 120.300 0.132 0.000 2.481 293 Y HA 0.286 4.837 4.550 0.001 0.000 0.247 293 Y C 0.773 176.842 175.900 0.282 0.000 1.151 293 Y CA -0.080 58.129 58.100 0.182 0.000 1.238 293 Y CB 0.423 38.975 38.460 0.153 0.000 1.179 293 Y HN 0.004 nan 8.280 nan 0.000 0.524 294 H N -0.900 118.309 119.070 0.232 0.000 3.151 294 H HA 0.478 5.034 4.556 0.001 0.000 0.333 294 H C -0.037 175.370 175.328 0.131 0.000 1.093 294 H CA 0.297 56.472 56.048 0.212 0.000 1.342 294 H CB 1.531 31.405 29.762 0.187 0.000 1.983 294 H HN 0.335 nan 8.280 nan 0.000 0.503 295 G N 3.294 111.915 108.800 -0.298 0.000 2.301 295 G HA2 -0.034 3.926 3.960 0.001 0.000 0.194 295 G HA3 -0.034 3.926 3.960 0.001 0.000 0.194 295 G C -1.548 173.292 174.900 -0.101 0.000 1.266 295 G CA -0.259 44.652 45.100 -0.315 0.000 1.210 295 G HN 0.544 nan 8.290 nan 0.000 0.524 296 I N 0.977 121.620 120.570 0.122 0.000 2.499 296 I HA 0.522 4.692 4.170 0.001 0.000 0.288 296 I C 0.467 176.722 176.117 0.229 0.000 1.048 296 I CA -0.663 60.766 61.300 0.215 0.000 1.062 296 I CB 2.143 40.284 38.000 0.234 0.000 1.238 296 I HN 0.633 nan 8.210 nan 0.000 0.426 297 S N 4.537 120.331 115.700 0.156 0.000 2.564 297 S HA 0.111 4.581 4.470 0.001 0.000 0.278 297 S C 1.076 175.764 174.600 0.147 0.000 1.333 297 S CA -0.423 57.852 58.200 0.124 0.000 1.048 297 S CB 0.735 63.996 63.200 0.102 0.000 0.900 297 S HN 0.648 nan 8.310 nan 0.000 0.505 298 M N 5.103 124.771 119.600 0.114 0.000 2.267 298 M HA -0.028 4.453 4.480 0.001 0.000 0.263 298 M C 1.208 177.541 176.300 0.055 0.000 1.063 298 M CA 1.656 56.999 55.300 0.071 0.000 1.090 298 M CB -0.883 31.725 32.600 0.014 0.000 1.392 298 M HN 0.850 nan 8.290 nan 0.000 0.422 299 F N -0.866 119.042 119.950 -0.070 0.000 2.171 299 F HA -0.166 4.361 4.527 0.001 0.000 0.300 299 F C 1.781 177.494 175.800 -0.144 0.000 1.090 299 F CA 1.521 59.435 58.000 -0.143 0.000 1.293 299 F CB -0.242 38.654 39.000 -0.174 0.000 1.013 299 F HN -0.031 nan 8.300 nan 0.000 0.486 300 V N -0.083 119.885 119.914 0.090 0.000 2.270 300 V HA -0.281 3.839 4.120 0.001 0.000 0.245 300 V C 2.332 178.333 176.094 -0.155 0.000 1.043 300 V CA 1.480 63.745 62.300 -0.058 0.000 1.014 300 V CB -0.719 31.090 31.823 -0.022 0.000 0.645 300 V HN 0.242 nan 8.190 nan 0.000 0.447 301 L N 0.596 121.783 121.223 -0.061 0.000 2.013 301 L HA -0.219 4.122 4.340 0.001 0.000 0.212 301 L C 2.596 179.340 176.870 -0.210 0.000 1.073 301 L CA 2.462 57.225 54.840 -0.128 0.000 0.753 301 L CB -1.329 40.783 42.059 0.088 0.000 0.890 301 L HN 0.326 nan 8.230 nan 0.000 0.432 302 A N -1.147 121.587 122.820 -0.144 0.000 1.933 302 A HA -0.262 4.059 4.320 0.001 0.000 0.218 302 A C 2.453 179.900 177.584 -0.228 0.000 1.175 302 A CA 1.964 53.909 52.037 -0.154 0.000 0.628 302 A CB -0.485 18.364 19.000 -0.252 0.000 0.814 302 A HN 0.428 nan 8.150 nan 0.000 0.444 303 K N -0.237 119.961 120.400 -0.336 0.000 2.025 303 K HA -0.033 4.288 4.320 0.001 0.000 0.207 303 K C 1.912 178.366 176.600 -0.243 0.000 1.049 303 K CA 1.243 57.356 56.287 -0.290 0.000 0.933 303 K CB -0.309 31.974 32.500 -0.361 0.000 0.714 303 K HN 0.466 nan 8.250 nan 0.000 0.438 304 L N 0.149 121.195 121.223 -0.296 0.000 2.017 304 L HA -0.210 4.131 4.340 0.001 0.000 0.208 304 L C 2.486 179.296 176.870 -0.100 0.000 1.073 304 L CA 1.299 55.980 54.840 -0.264 0.000 0.745 304 L CB -0.689 41.203 42.059 -0.278 0.000 0.894 304 L HN 0.216 nan 8.230 nan 0.000 0.432 305 Y N -0.081 120.248 120.300 0.048 0.000 2.224 305 Y HA -0.221 4.330 4.550 0.001 0.000 0.289 305 Y C 2.801 178.673 175.900 -0.047 0.000 1.146 305 Y CA 1.119 59.227 58.100 0.013 0.000 1.182 305 Y CB -0.721 37.714 38.460 -0.042 0.000 0.983 305 Y HN 0.136 nan 8.280 nan 0.000 0.524 306 R N -0.168 120.356 120.500 0.041 0.000 2.075 306 R HA -0.151 4.189 4.340 0.001 0.000 0.232 306 R C 1.887 178.170 176.300 -0.028 0.000 1.126 306 R CA 1.133 57.212 56.100 -0.035 0.000 0.963 306 R CB -0.406 29.807 30.300 -0.145 0.000 0.858 306 R HN 0.207 nan 8.270 nan 0.000 0.435 307 L N 1.319 122.478 121.223 -0.107 0.000 2.012 307 L HA -0.161 4.179 4.340 0.001 0.000 0.210 307 L C 2.321 179.167 176.870 -0.040 0.000 1.073 307 L CA 1.615 56.296 54.840 -0.265 0.000 0.748 307 L CB -0.722 40.799 42.059 -0.897 0.000 0.891 307 L HN 0.277 nan 8.230 nan 0.000 0.431 308 I N -1.031 119.584 120.570 0.075 0.000 2.286 308 I HA -0.177 3.994 4.170 0.001 0.000 0.248 308 I C 1.469 177.704 176.117 0.198 0.000 1.115 308 I CA 1.290 62.765 61.300 0.290 0.000 1.392 308 I CB -0.311 37.886 38.000 0.328 0.000 1.065 308 I HN 0.531 nan 8.210 nan 0.000 0.418 309 G N 0.645 109.520 108.800 0.125 0.000 2.148 309 G HA2 -0.115 3.845 3.960 0.001 0.000 0.120 309 G HA3 -0.115 3.845 3.960 0.001 0.000 0.120 309 G C 0.060 174.990 174.900 0.051 0.000 1.034 309 G CA -0.751 44.399 45.100 0.084 0.000 0.710 309 G HN 0.065 nan 8.290 nan 0.000 0.495 310 I N 1.988 122.580 120.570 0.036 0.000 2.505 310 I HA 0.136 4.306 4.170 0.001 0.000 0.287 310 I C 1.015 177.115 176.117 -0.029 0.000 1.104 310 I CA -0.042 61.240 61.300 -0.030 0.000 1.387 310 I CB 0.431 38.381 38.000 -0.084 0.000 1.404 310 I HN 0.140 nan 8.210 nan 0.000 0.528 311 D N 5.121 125.505 120.400 -0.026 0.000 2.183 311 D HA -0.074 4.566 4.640 0.001 0.000 0.203 311 D C 0.307 176.624 176.300 0.029 0.000 0.969 311 D CA 1.180 55.191 54.000 0.019 0.000 0.842 311 D CB 0.541 41.366 40.800 0.042 0.000 0.957 311 D HN 0.629 nan 8.370 nan 0.000 0.484 312 Q N 0.085 119.857 119.800 -0.047 0.000 2.331 312 Q HA 0.604 4.944 4.340 0.001 0.000 0.272 312 Q C -1.451 174.419 176.000 -0.217 0.000 1.062 312 Q CA -0.642 55.131 55.803 -0.050 0.000 0.806 312 Q CB 3.123 31.845 28.738 -0.027 0.000 1.312 312 Q HN -0.065 nan 8.270 nan 0.000 0.431 313 L N 1.060 122.186 121.223 -0.162 0.000 2.482 313 L HA 0.382 4.723 4.340 0.001 0.000 0.263 313 L C -1.305 175.497 176.870 -0.112 0.000 0.957 313 L CA -0.233 54.499 54.840 -0.179 0.000 0.836 313 L CB 1.917 43.900 42.059 -0.127 0.000 1.324 313 L HN 0.689 nan 8.230 nan 0.000 0.406 314 H N 3.877 122.780 119.070 -0.279 0.000 2.803 314 H HA 0.294 4.851 4.556 0.001 0.000 0.330 314 H C 0.524 175.728 175.328 -0.206 0.000 1.057 314 H CA 0.540 56.460 56.048 -0.214 0.000 1.458 314 H CB 1.654 31.241 29.762 -0.291 0.000 1.470 314 H HN 0.621 nan 8.280 nan 0.000 0.560 315 V N 0.135 120.009 119.914 -0.066 0.000 3.502 315 V HA 0.450 4.571 4.120 0.001 0.000 0.288 315 V C 0.859 176.919 176.094 -0.056 0.000 1.461 315 V CA 0.358 62.611 62.300 -0.079 0.000 1.029 315 V CB 0.454 32.239 31.823 -0.064 0.000 0.843 315 V HN 1.055 nan 8.190 nan 0.000 0.438 316 G N 1.209 109.988 108.800 -0.034 0.000 2.479 316 G HA2 0.108 4.068 3.960 0.001 0.000 0.686 316 G HA3 0.108 4.068 3.960 0.001 0.000 0.686 316 G C 0.064 174.959 174.900 -0.009 0.000 1.295 316 G CA 0.265 45.361 45.100 -0.008 0.000 0.922 316 G HN 1.255 nan 8.290 nan 0.000 0.582 317 T N -2.608 111.944 114.554 -0.003 0.000 3.228 317 T HA 0.662 5.012 4.350 0.001 0.000 0.278 317 T C 1.382 176.075 174.700 -0.013 0.000 1.014 317 T CA 1.517 63.609 62.100 -0.014 0.000 0.904 317 T CB 0.331 69.187 68.868 -0.019 0.000 1.110 317 T HN 2.664 nan 8.240 nan 0.000 0.541 318 A N 0.118 122.936 122.820 -0.004 0.000 2.783 318 A HA 0.128 4.448 4.320 0.001 0.000 0.292 318 A C 1.907 179.490 177.584 -0.001 0.000 1.495 318 A CA 1.267 53.303 52.037 -0.000 0.000 0.787 318 A CB -2.120 16.879 19.000 -0.002 0.000 1.017 318 A HN 2.209 nan 8.150 nan 0.000 0.516 319 G N -2.540 106.260 108.800 0.001 0.000 2.284 319 G HA2 0.056 4.017 3.960 0.001 0.000 0.230 319 G HA3 0.056 4.017 3.960 0.001 0.000 0.230 319 G C 1.593 176.492 174.900 -0.001 0.000 1.021 319 G CA 1.239 46.340 45.100 0.003 0.000 0.619 319 G HN 2.219 nan 8.290 nan 0.000 0.510 320 A N 0.790 123.602 122.820 -0.013 0.000 1.933 320 A HA 0.476 4.797 4.320 0.001 0.000 0.218 320 A C 2.026 179.592 177.584 -0.030 0.000 1.175 320 A CA 2.442 54.463 52.037 -0.027 0.000 0.628 320 A CB -0.743 18.222 19.000 -0.057 0.000 0.814 320 A HN 1.891 nan 8.150 nan 0.000 0.444 321 G N -1.209 107.575 108.800 -0.026 0.000 2.532 321 G HA2 0.382 4.343 3.960 0.001 0.000 0.291 321 G HA3 0.382 4.343 3.960 0.001 0.000 0.291 321 G C 0.714 175.615 174.900 0.001 0.000 1.349 321 G CA 0.155 45.241 45.100 -0.022 0.000 1.038 321 G HN 0.425 nan 8.290 nan 0.000 0.518 322 K N -1.305 119.099 120.400 0.007 0.000 2.418 322 K HA 0.168 4.488 4.320 0.001 0.000 0.195 322 K C 0.219 176.831 176.600 0.020 0.000 1.035 322 K CA 0.230 56.527 56.287 0.017 0.000 1.003 322 K CB -0.172 32.339 32.500 0.019 0.000 0.793 322 K HN 0.248 nan 8.250 nan 0.000 0.494 323 L N 2.010 123.247 121.223 0.023 0.000 2.334 323 L HA 0.273 4.614 4.340 0.001 0.000 0.275 323 L C 0.318 177.202 176.870 0.023 0.000 1.036 323 L CA -1.059 53.797 54.840 0.026 0.000 0.807 323 L CB 1.519 43.605 42.059 0.045 0.000 1.231 323 L HN 0.089 nan 8.230 nan 0.000 0.438 324 E N 1.626 121.836 120.200 0.016 0.000 2.413 324 E HA 0.327 4.678 4.350 0.001 0.000 0.263 324 E C -0.229 176.386 176.600 0.025 0.000 1.015 324 E CA 0.382 56.790 56.400 0.014 0.000 0.916 324 E CB 1.116 30.817 29.700 0.000 0.000 0.947 324 E HN 0.755 nan 8.360 nan 0.000 0.440 325 G N 4.298 113.110 108.800 0.019 0.000 2.040 325 G HA2 -0.004 3.956 3.960 0.001 0.000 0.195 325 G HA3 -0.004 3.956 3.960 0.001 0.000 0.195 325 G C -0.723 174.184 174.900 0.011 0.000 2.245 325 G CA -0.738 44.373 45.100 0.019 0.000 0.911 325 G HN 0.455 nan 8.290 nan 0.000 0.566 326 E N 1.055 121.259 120.200 0.007 0.000 2.371 326 E HA 0.285 4.635 4.350 0.001 0.000 0.257 326 E C 1.458 178.064 176.600 0.011 0.000 1.134 326 E CA -0.745 55.660 56.400 0.007 0.000 0.919 326 E CB 1.677 31.380 29.700 0.005 0.000 1.025 326 E HN 0.496 nan 8.360 nan 0.000 0.438 327 R N 1.542 122.050 120.500 0.013 0.000 2.112 327 R HA -0.223 4.117 4.340 0.001 0.000 0.242 327 R C 1.522 177.837 176.300 0.024 0.000 1.137 327 R CA 2.571 58.680 56.100 0.015 0.000 0.944 327 R CB -0.219 30.090 30.300 0.015 0.000 0.857 327 R HN 0.661 nan 8.270 nan 0.000 0.435 328 D N 0.445 120.862 120.400 0.029 0.000 2.092 328 D HA -0.237 4.403 4.640 0.001 0.000 0.193 328 D C 2.127 178.458 176.300 0.053 0.000 0.994 328 D CA 1.569 55.596 54.000 0.046 0.000 0.828 328 D CB -0.590 40.239 40.800 0.047 0.000 0.963 328 D HN 0.377 nan 8.370 nan 0.000 0.450 329 I N 1.322 121.910 120.570 0.031 0.000 2.163 329 I HA -0.244 3.926 4.170 0.001 0.000 0.243 329 I C 2.551 178.693 176.117 0.042 0.000 1.085 329 I CA 1.536 62.854 61.300 0.031 0.000 1.347 329 I CB -0.701 37.298 38.000 -0.002 0.000 1.044 329 I HN 0.049 nan 8.210 nan 0.000 0.408 330 T N 1.341 115.910 114.554 0.026 0.000 2.720 330 T HA -0.149 4.202 4.350 0.001 0.000 0.268 330 T C 1.922 176.637 174.700 0.026 0.000 1.037 330 T CA 1.355 63.465 62.100 0.016 0.000 1.144 330 T CB -0.293 68.579 68.868 0.007 0.000 0.864 330 T HN 0.257 nan 8.240 nan 0.000 0.444 331 I N 0.899 121.493 120.570 0.041 0.000 2.226 331 I HA -0.193 3.977 4.170 0.001 0.000 0.245 331 I C 2.825 178.993 176.117 0.085 0.000 1.100 331 I CA 1.038 62.371 61.300 0.054 0.000 1.374 331 I CB -0.329 37.706 38.000 0.059 0.000 1.057 331 I HN 0.167 nan 8.210 nan 0.000 0.413 332 Q N 0.585 120.454 119.800 0.114 0.000 2.079 332 Q HA -0.146 4.195 4.340 0.001 0.000 0.200 332 Q C 1.974 178.051 176.000 0.128 0.000 0.974 332 Q CA 1.288 57.200 55.803 0.183 0.000 0.840 332 Q CB -0.746 28.066 28.738 0.124 0.000 0.898 332 Q HN 0.516 nan 8.270 nan 0.000 0.430 333 N N 1.132 119.871 118.700 0.065 0.000 2.061 333 N HA -0.170 4.571 4.740 0.001 0.000 0.193 333 N C 1.665 177.100 175.510 -0.126 0.000 1.030 333 N CA 1.738 54.743 53.050 -0.074 0.000 0.856 333 N CB -0.454 38.002 38.487 -0.051 0.000 1.023 333 N HN 0.299 nan 8.380 nan 0.000 0.424 334 A N 1.587 124.375 122.820 -0.053 0.000 1.902 334 A HA -0.103 4.217 4.320 0.001 0.000 0.217 334 A C 2.259 179.804 177.584 -0.065 0.000 1.181 334 A CA 1.162 53.168 52.037 -0.052 0.000 0.623 334 A CB -0.395 18.599 19.000 -0.010 0.000 0.818 334 A HN 0.250 nan 8.150 nan 0.000 0.443 335 R N -1.112 119.385 120.500 -0.005 0.000 2.080 335 R HA -0.132 4.208 4.340 0.001 0.000 0.236 335 R C 1.953 178.216 176.300 -0.062 0.000 1.137 335 R CA 1.562 57.697 56.100 0.058 0.000 0.943 335 R CB -0.630 29.831 30.300 0.268 0.000 0.846 335 R HN 0.483 nan 8.270 nan 0.000 0.431 336 I N 1.165 121.567 120.570 -0.281 0.000 2.567 336 I HA -0.171 3.999 4.170 0.001 0.000 0.257 336 I C 1.871 177.683 176.117 -0.508 0.000 1.184 336 I CA 1.154 62.127 61.300 -0.545 0.000 1.451 336 I CB -0.087 37.198 38.000 -1.191 0.000 1.089 336 I HN 0.141 nan 8.210 nan 0.000 0.441 337 L N -0.702 120.293 121.223 -0.381 0.000 2.179 337 L HA -0.094 4.246 4.340 0.001 0.000 0.208 337 L C 2.437 179.098 176.870 -0.350 0.000 1.096 337 L CA 1.002 55.639 54.840 -0.339 0.000 0.779 337 L CB -0.341 41.592 42.059 -0.210 0.000 0.922 337 L HN 0.144 nan 8.230 nan 0.000 0.443 338 R N -0.725 119.611 120.500 -0.273 0.000 2.225 338 R HA 0.113 4.453 4.340 0.001 0.000 0.194 338 R C 0.200 176.370 176.300 -0.218 0.000 0.957 338 R CA -0.001 55.964 56.100 -0.224 0.000 1.042 338 R CB 0.362 30.577 30.300 -0.142 0.000 1.004 338 R HN 0.321 nan 8.270 nan 0.000 0.509 339 E N 0.832 120.918 120.200 -0.190 0.000 2.313 339 E HA 0.019 4.370 4.350 0.001 0.000 0.276 339 E C 0.594 177.158 176.600 -0.061 0.000 1.031 339 E CA -0.104 56.262 56.400 -0.056 0.000 0.857 339 E CB 1.532 31.301 29.700 0.115 0.000 1.040 339 E HN 0.078 nan 8.360 nan 0.000 0.408 340 S N 2.383 118.107 115.700 0.039 0.000 2.436 340 S HA -0.135 4.335 4.470 0.001 0.000 0.228 340 S C 0.758 175.506 174.600 0.247 0.000 1.014 340 S CA 0.761 59.026 58.200 0.107 0.000 0.950 340 S CB 0.100 63.339 63.200 0.066 0.000 0.784 340 S HN 0.596 nan 8.310 nan 0.000 0.504 341 H N 0.086 119.244 119.070 0.147 0.000 2.808 341 H HA 0.302 4.858 4.556 0.001 0.000 0.268 341 H C -1.892 173.546 175.328 0.184 0.000 1.306 341 H CA -1.469 54.661 56.048 0.136 0.000 1.565 341 H CB 0.003 29.780 29.762 0.025 0.000 1.632 341 H HN 0.377 nan 8.280 nan 0.000 0.525 342 Y N 4.297 124.845 120.300 0.413 0.000 2.496 342 Y HA 0.261 4.811 4.550 0.001 0.000 0.334 342 Y C -0.488 175.592 175.900 0.300 0.000 1.080 342 Y CA 0.182 58.471 58.100 0.315 0.000 1.355 342 Y CB 0.422 39.091 38.460 0.349 0.000 1.193 342 Y HN 0.368 nan 8.280 nan 0.000 0.523 343 K N 8.944 129.112 120.400 -0.387 0.000 2.413 343 K HA 0.360 4.680 4.320 0.001 0.000 0.257 343 K C -2.715 173.489 176.600 -0.660 0.000 0.946 343 K CA -2.015 54.048 56.287 -0.374 0.000 0.823 343 K CB 1.531 33.901 32.500 -0.217 0.000 1.109 343 K HN 0.468 nan 8.250 nan 0.000 0.427 344 P HA 0.063 nan 4.420 nan 0.000 0.275 344 P C -0.806 176.418 177.300 -0.127 0.000 1.227 344 P CA -0.356 62.597 63.100 -0.246 0.000 0.781 344 P CB 0.625 32.347 31.700 0.036 0.000 0.906 345 D N 1.336 121.698 120.400 -0.063 0.000 2.449 345 D HA 0.032 4.672 4.640 0.001 0.000 0.236 345 D C 1.866 178.141 176.300 -0.042 0.000 1.149 345 D CA 0.404 54.379 54.000 -0.042 0.000 0.878 345 D CB 0.182 40.978 40.800 -0.006 0.000 1.198 345 D HN 0.537 nan 8.370 nan 0.000 0.446 346 E N 2.360 122.534 120.200 -0.044 0.000 2.187 346 E HA -0.271 4.079 4.350 0.001 0.000 0.199 346 E C 1.126 177.693 176.600 -0.056 0.000 1.004 346 E CA 1.773 58.145 56.400 -0.046 0.000 0.813 346 E CB -0.858 28.820 29.700 -0.037 0.000 0.736 346 E HN 0.634 nan 8.360 nan 0.000 0.468 347 N N 0.155 118.827 118.700 -0.047 0.000 2.322 347 N HA -0.007 4.733 4.740 0.001 0.000 0.194 347 N C -0.320 175.137 175.510 -0.087 0.000 1.126 347 N CA 0.482 53.495 53.050 -0.060 0.000 0.845 347 N CB 0.228 38.698 38.487 -0.029 0.000 0.976 347 N HN 0.313 nan 8.380 nan 0.000 0.475 348 D N 1.619 121.975 120.400 -0.074 0.000 2.365 348 D HA 0.055 4.695 4.640 0.001 0.000 0.237 348 D C 1.242 177.410 176.300 -0.220 0.000 1.190 348 D CA -0.494 53.462 54.000 -0.074 0.000 0.867 348 D CB 1.529 42.360 40.800 0.051 0.000 1.050 348 D HN 0.015 nan 8.370 nan 0.000 0.491 349 V N 1.814 121.464 119.914 -0.440 0.000 3.623 349 V HA 0.166 4.286 4.120 0.001 0.000 0.271 349 V C 1.043 176.739 176.094 -0.662 0.000 1.248 349 V CA 0.380 62.299 62.300 -0.635 0.000 1.156 349 V CB -0.979 30.309 31.823 -0.891 0.000 0.870 349 V HN 0.275 nan 8.190 nan 0.000 0.453 350 F N -0.256 119.430 119.950 -0.440 0.000 2.559 350 F HA 0.430 4.957 4.527 0.001 0.000 0.286 350 F C 1.349 176.757 175.800 -0.653 0.000 1.108 350 F CA -0.166 57.447 58.000 -0.646 0.000 1.436 350 F CB 0.084 38.462 39.000 -1.037 0.000 1.130 350 F HN 0.256 nan 8.300 nan 0.000 0.584 351 H N 0.318 119.367 119.070 -0.035 0.000 2.679 351 H HA 0.617 5.173 4.556 0.001 0.000 0.367 351 H C -0.545 174.847 175.328 0.106 0.000 1.162 351 H CA -0.846 55.154 56.048 -0.079 0.000 1.181 351 H CB 1.883 31.464 29.762 -0.301 0.000 1.693 351 H HN -0.097 nan 8.280 nan 0.000 0.538 352 L N 0.457 121.872 121.223 0.319 0.000 2.322 352 L HA 0.299 4.639 4.340 0.001 0.000 0.269 352 L C 0.814 177.907 176.870 0.370 0.000 1.012 352 L CA -0.913 54.074 54.840 0.244 0.000 0.815 352 L CB 1.692 43.834 42.059 0.138 0.000 1.295 352 L HN 0.543 nan 8.230 nan 0.000 0.438 353 E N 1.387 121.721 120.200 0.222 0.000 2.442 353 E HA -0.001 4.349 4.350 0.001 0.000 0.262 353 E C -0.905 175.901 176.600 0.343 0.000 1.004 353 E CA 0.178 56.735 56.400 0.262 0.000 0.928 353 E CB 0.657 30.449 29.700 0.155 0.000 0.937 353 E HN 0.396 nan 8.360 nan 0.000 0.446 354 Q N 3.150 123.159 119.800 0.349 0.000 2.371 354 Q HA 0.228 4.569 4.340 0.001 0.000 0.244 354 Q C -1.824 174.111 176.000 -0.108 0.000 0.882 354 Q CA -0.502 55.392 55.803 0.150 0.000 0.866 354 Q CB 1.059 29.828 28.738 0.051 0.000 1.399 354 Q HN 0.341 nan 8.270 nan 0.000 0.432 355 K N 2.924 123.124 120.400 -0.334 0.000 2.144 355 K HA 0.376 4.696 4.320 0.001 0.000 0.270 355 K C -0.341 175.944 176.600 -0.526 0.000 1.005 355 K CA -0.200 55.745 56.287 -0.571 0.000 0.932 355 K CB 0.712 32.646 32.500 -0.944 0.000 1.021 355 K HN 0.588 nan 8.250 nan 0.000 0.462 356 F N 0.676 120.463 119.950 -0.271 0.000 2.728 356 F HA 0.111 4.639 4.527 0.001 0.000 0.314 356 F C 0.117 175.960 175.800 0.072 0.000 1.094 356 F CA -0.298 57.675 58.000 -0.046 0.000 1.217 356 F CB 0.029 39.001 39.000 -0.048 0.000 1.056 356 F HN 0.652 nan 8.300 nan 0.000 0.577 357 Y N -0.934 119.427 120.300 0.101 0.000 2.817 357 Y HA -0.502 4.049 4.550 0.001 0.000 0.471 357 Y C 2.107 178.051 175.900 0.074 0.000 1.142 357 Y CA 1.421 59.557 58.100 0.060 0.000 2.725 357 Y CB -1.923 36.549 38.460 0.021 0.000 1.169 357 Y HN -0.140 nan 8.280 nan 0.000 0.619 358 S N 0.116 115.968 115.700 0.254 0.000 2.575 358 S HA 0.209 4.680 4.470 0.001 0.000 0.215 358 S C 0.202 174.870 174.600 0.114 0.000 0.966 358 S CA -0.111 58.172 58.200 0.139 0.000 0.911 358 S CB -0.139 63.121 63.200 0.099 0.000 0.780 358 S HN 0.216 nan 8.310 nan 0.000 0.514 359 I N 3.963 124.632 120.570 0.165 0.000 2.671 359 I HA 0.037 4.207 4.170 0.001 0.000 0.285 359 I C 0.709 176.850 176.117 0.039 0.000 1.148 359 I CA 0.261 61.640 61.300 0.131 0.000 1.386 359 I CB -0.612 37.528 38.000 0.233 0.000 1.406 359 I HN 0.105 nan 8.210 nan 0.000 0.540 360 K N 4.344 124.744 120.400 0.001 0.000 2.286 360 K HA 0.308 4.629 4.320 0.001 0.000 0.256 360 K C 0.405 176.935 176.600 -0.117 0.000 0.999 360 K CA -0.392 55.866 56.287 -0.048 0.000 0.908 360 K CB 0.460 32.939 32.500 -0.036 0.000 0.981 360 K HN 0.716 nan 8.250 nan 0.000 0.500 361 A N 1.042 123.774 122.820 -0.148 0.000 2.401 361 A HA 0.449 4.770 4.320 0.001 0.000 0.259 361 A C -0.153 177.325 177.584 -0.177 0.000 1.103 361 A CA -0.330 51.582 52.037 -0.209 0.000 0.789 361 A CB 0.345 19.216 19.000 -0.216 0.000 1.035 361 A HN 0.702 nan 8.150 nan 0.000 0.491 362 A N 1.636 124.351 122.820 -0.176 0.000 2.293 362 A HA 0.643 4.963 4.320 0.001 0.000 0.302 362 A C -0.601 176.942 177.584 -0.068 0.000 1.119 362 A CA -0.398 51.581 52.037 -0.097 0.000 0.823 362 A CB 0.184 19.133 19.000 -0.085 0.000 1.097 362 A HN 0.746 nan 8.150 nan 0.000 0.491 363 F N 2.592 122.498 119.950 -0.073 0.000 2.404 363 F HA 0.372 4.899 4.527 0.001 0.000 0.359 363 F C -2.028 173.724 175.800 -0.080 0.000 1.134 363 F CA -2.530 55.435 58.000 -0.058 0.000 1.160 363 F CB 0.881 39.863 39.000 -0.030 0.000 1.186 363 F HN 0.243 nan 8.300 nan 0.000 0.526 364 P HA 0.093 nan 4.420 nan 0.000 0.268 364 P C -0.689 176.626 177.300 0.025 0.000 1.204 364 P CA 0.094 63.228 63.100 0.056 0.000 0.768 364 P CB 0.584 32.301 31.700 0.029 0.000 0.842 365 T N 1.944 116.442 114.554 -0.092 0.000 2.792 365 T HA 0.379 4.729 4.350 0.001 0.000 0.280 365 T C -0.274 174.292 174.700 -0.223 0.000 0.990 365 T CA -0.349 61.629 62.100 -0.203 0.000 0.960 365 T CB 0.660 69.295 68.868 -0.389 0.000 0.939 365 T HN 0.155 nan 8.240 nan 0.000 0.439 366 S N 2.628 118.246 115.700 -0.137 0.000 2.456 366 S HA 0.750 5.220 4.470 0.001 0.000 0.316 366 S C -0.575 173.991 174.600 -0.058 0.000 1.089 366 S CA -0.488 57.663 58.200 -0.082 0.000 1.101 366 S CB 0.487 63.662 63.200 -0.043 0.000 0.995 366 S HN 0.829 nan 8.310 nan 0.000 0.468 367 S N 3.246 118.938 115.700 -0.014 0.000 2.567 367 S HA 0.755 5.226 4.470 0.001 0.000 0.270 367 S C -0.548 174.096 174.600 0.075 0.000 1.152 367 S CA 0.231 58.459 58.200 0.046 0.000 0.835 367 S CB 0.967 64.235 63.200 0.113 0.000 1.115 367 S HN 2.109 nan 8.310 nan 0.000 0.459 368 G N 0.723 109.559 108.800 0.060 0.000 3.199 368 G HA2 0.457 4.417 3.960 0.001 0.000 0.680 368 G HA3 0.457 4.417 3.960 0.001 0.000 0.680 368 G C 1.037 175.939 174.900 0.004 0.000 1.197 368 G CA 0.531 45.662 45.100 0.051 0.000 1.143 368 G HN 2.425 nan 8.290 nan 0.000 0.492 369 G N -0.134 108.657 108.800 -0.016 0.000 2.160 369 G HA2 -0.138 3.822 3.960 0.001 0.000 0.251 369 G HA3 -0.138 3.822 3.960 0.001 0.000 0.251 369 G C 0.518 175.359 174.900 -0.099 0.000 1.008 369 G CA 0.726 45.799 45.100 -0.045 0.000 0.724 369 G HN 1.466 nan 8.290 nan 0.000 0.514 370 L N 0.374 121.521 121.223 -0.126 0.000 2.334 370 L HA 0.757 5.098 4.340 0.001 0.000 0.277 370 L C 0.798 177.508 176.870 -0.267 0.000 1.075 370 L CA -1.012 53.693 54.840 -0.225 0.000 0.804 370 L CB 1.104 43.073 42.059 -0.151 0.000 1.174 370 L HN 0.572 nan 8.230 nan 0.000 0.438 371 H N 0.266 119.166 119.070 -0.284 0.000 2.931 371 H HA 0.437 4.994 4.556 0.001 0.000 0.331 371 H C -2.548 172.675 175.328 -0.175 0.000 1.273 371 H CA -2.124 53.706 56.048 -0.363 0.000 1.171 371 H CB 0.376 29.716 29.762 -0.704 0.000 1.898 371 H HN 0.135 nan 8.280 nan 0.000 0.562 372 P HA -0.027 nan 4.420 nan 0.000 0.222 372 P C 1.466 178.785 177.300 0.033 0.000 1.147 372 P CA 1.936 65.043 63.100 0.012 0.000 0.790 372 P CB -0.146 31.602 31.700 0.081 0.000 0.780 373 G N 0.306 109.269 108.800 0.272 0.000 2.534 373 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 373 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 373 G C 0.868 175.747 174.900 -0.035 0.000 1.128 373 G CA 0.485 45.683 45.100 0.163 0.000 0.784 373 G HN 0.390 nan 8.290 nan 0.000 0.542 374 N N -0.272 118.190 118.700 -0.397 0.000 2.387 374 N HA 0.077 4.818 4.740 0.001 0.000 0.259 374 N C 1.162 176.543 175.510 -0.215 0.000 1.369 374 N CA -0.205 52.668 53.050 -0.295 0.000 0.867 374 N CB -0.631 37.586 38.487 -0.450 0.000 1.341 374 N HN 0.420 nan 8.380 nan 0.000 0.495 375 I N -4.119 116.352 120.570 -0.165 0.000 3.603 375 I HA 0.185 4.355 4.170 0.001 0.000 0.297 375 I C 1.987 178.061 176.117 -0.070 0.000 1.269 375 I CA 0.062 61.291 61.300 -0.119 0.000 1.361 375 I CB 0.177 38.102 38.000 -0.125 0.000 1.063 375 I HN -0.039 nan 8.210 nan 0.000 0.448 376 Q N 2.524 122.297 119.800 -0.044 0.000 2.084 376 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 376 Q C -0.419 175.566 176.000 -0.025 0.000 0.978 376 Q CA 2.145 57.931 55.803 -0.029 0.000 0.844 376 Q CB -1.153 27.582 28.738 -0.005 0.000 0.898 376 Q HN 0.390 nan 8.270 nan 0.000 0.426 377 P HA -0.067 nan 4.420 nan 0.000 0.219 377 P C 1.664 178.951 177.300 -0.022 0.000 1.150 377 P CA 0.856 63.944 63.100 -0.020 0.000 0.814 377 P CB -0.093 31.596 31.700 -0.018 0.000 0.787 378 V N 0.034 119.928 119.914 -0.033 0.000 2.261 378 V HA -0.223 3.897 4.120 0.001 0.000 0.246 378 V C 2.382 178.465 176.094 -0.019 0.000 1.047 378 V CA 1.714 63.997 62.300 -0.029 0.000 1.015 378 V CB -1.091 30.706 31.823 -0.042 0.000 0.642 378 V HN 0.028 nan 8.190 nan 0.000 0.446 379 I N 0.397 120.954 120.570 -0.023 0.000 2.493 379 I HA -0.162 4.009 4.170 0.001 0.000 0.254 379 I C 2.878 178.990 176.117 -0.009 0.000 1.160 379 I CA 1.460 62.752 61.300 -0.014 0.000 1.445 379 I CB -0.693 37.293 38.000 -0.023 0.000 1.086 379 I HN 0.478 nan 8.210 nan 0.000 0.433 380 E N 1.312 121.504 120.200 -0.012 0.000 2.106 380 E HA -0.132 4.219 4.350 0.001 0.000 0.192 380 E C 2.310 178.909 176.600 -0.001 0.000 0.984 380 E CA 1.409 57.804 56.400 -0.008 0.000 0.806 380 E CB -0.697 28.996 29.700 -0.010 0.000 0.750 380 E HN 0.603 nan 8.360 nan 0.000 0.458 381 A N -0.316 122.504 122.820 -0.000 0.000 1.872 381 A HA 0.212 4.532 4.320 0.001 0.000 0.214 381 A C 2.161 179.753 177.584 0.012 0.000 1.187 381 A CA 1.579 53.620 52.037 0.007 0.000 0.614 381 A CB 0.001 19.005 19.000 0.006 0.000 0.826 381 A HN 0.400 nan 8.150 nan 0.000 0.442 382 L N -1.496 119.733 121.223 0.010 0.000 2.554 382 L HA 0.333 4.673 4.340 0.001 0.000 0.225 382 L C 1.429 178.310 176.870 0.019 0.000 1.104 382 L CA 0.887 55.736 54.840 0.016 0.000 0.866 382 L CB -1.246 40.822 42.059 0.015 0.000 1.047 382 L HN 0.675 nan 8.230 nan 0.000 0.468 383 G N 0.026 108.834 108.800 0.014 0.000 2.693 383 G HA2 -0.326 3.635 3.960 0.001 0.000 0.226 383 G HA3 -0.326 3.635 3.960 0.001 0.000 0.226 383 G C 0.725 175.641 174.900 0.027 0.000 1.354 383 G CA 0.282 45.392 45.100 0.016 0.000 0.873 383 G HN 0.268 nan 8.290 nan 0.000 0.562 384 T N -3.199 111.376 114.554 0.034 0.000 3.060 384 T HA 0.268 4.618 4.350 0.001 0.000 0.249 384 T C 0.719 175.483 174.700 0.107 0.000 1.079 384 T CA 1.200 63.332 62.100 0.052 0.000 1.013 384 T CB 0.333 69.223 68.868 0.038 0.000 0.975 384 T HN 0.403 nan 8.240 nan 0.000 0.518 385 D N 2.732 123.192 120.400 0.100 0.000 2.608 385 D HA 0.376 5.017 4.640 0.001 0.000 0.224 385 D C 0.034 176.513 176.300 0.298 0.000 1.123 385 D CA -0.153 53.942 54.000 0.158 0.000 1.030 385 D CB -0.381 40.415 40.800 -0.007 0.000 1.093 385 D HN 0.736 nan 8.370 nan 0.000 0.497 386 I N -2.923 117.882 120.570 0.392 0.000 3.004 386 I HA 0.520 4.690 4.170 0.001 0.000 0.305 386 I C -1.050 175.087 176.117 0.033 0.000 1.312 386 I CA -1.196 60.267 61.300 0.271 0.000 0.992 386 I CB 1.981 40.044 38.000 0.106 0.000 1.282 386 I HN -0.358 nan 8.210 nan 0.000 0.449 387 V N 4.245 124.075 119.914 -0.141 0.000 2.427 387 V HA 0.468 4.588 4.120 0.001 0.000 0.286 387 V C -0.028 176.041 176.094 -0.043 0.000 1.034 387 V CA -0.442 61.727 62.300 -0.217 0.000 0.893 387 V CB 1.451 33.077 31.823 -0.329 0.000 0.982 387 V HN 0.471 nan 8.190 nan 0.000 0.452 388 L N 4.686 125.935 121.223 0.044 0.000 2.295 388 L HA 0.567 4.907 4.340 0.001 0.000 0.285 388 L C -0.071 176.886 176.870 0.144 0.000 1.035 388 L CA -0.201 54.683 54.840 0.073 0.000 0.806 388 L CB 1.470 43.572 42.059 0.072 0.000 1.214 388 L HN 0.528 nan 8.230 nan 0.000 0.426 389 Q N 3.870 123.731 119.800 0.101 0.000 2.331 389 Q HA 0.504 4.845 4.340 0.001 0.000 0.267 389 Q C -1.734 174.313 176.000 0.078 0.000 1.006 389 Q CA -0.773 55.096 55.803 0.111 0.000 0.818 389 Q CB 2.078 30.913 28.738 0.162 0.000 1.276 389 Q HN 0.438 nan 8.270 nan 0.000 0.450 390 L N 3.788 125.060 121.223 0.081 0.000 2.442 390 L HA 0.438 4.779 4.340 0.001 0.000 0.261 390 L C 0.793 177.683 176.870 0.033 0.000 1.000 390 L CA -0.145 54.727 54.840 0.053 0.000 0.882 390 L CB 1.715 43.819 42.059 0.076 0.000 1.207 390 L HN 0.804 nan 8.230 nan 0.000 0.443 391 G N 1.466 110.275 108.800 0.016 0.000 2.648 391 G HA2 0.088 4.049 3.960 0.001 0.000 0.217 391 G HA3 0.088 4.049 3.960 0.001 0.000 0.217 391 G C 1.294 176.202 174.900 0.012 0.000 1.386 391 G CA 0.608 45.718 45.100 0.017 0.000 0.920 391 G HN 0.678 nan 8.290 nan 0.000 0.540 392 G N 0.652 109.454 108.800 0.004 0.000 2.469 392 G HA2 0.000 3.961 3.960 0.001 0.000 0.220 392 G HA3 0.000 3.961 3.960 0.001 0.000 0.220 392 G C 1.675 176.540 174.900 -0.060 0.000 1.136 392 G CA 1.444 46.551 45.100 0.010 0.000 0.759 392 G HN 0.761 nan 8.290 nan 0.000 0.562 393 G N -0.942 107.739 108.800 -0.199 0.000 2.625 393 G HA2 0.131 4.092 3.960 0.001 0.000 0.214 393 G HA3 0.131 4.092 3.960 0.001 0.000 0.214 393 G C 1.467 176.297 174.900 -0.116 0.000 1.132 393 G CA 1.539 46.374 45.100 -0.441 0.000 0.782 393 G HN 0.421 nan 8.290 nan 0.000 0.538 394 T N 0.516 115.110 114.554 0.066 0.000 3.151 394 T HA 0.056 4.407 4.350 0.001 0.000 0.239 394 T C 1.908 176.742 174.700 0.223 0.000 0.979 394 T CA 0.371 62.575 62.100 0.174 0.000 1.194 394 T CB -0.098 68.857 68.868 0.146 0.000 0.982 394 T HN 0.230 nan 8.240 nan 0.000 0.428 395 L N 0.262 121.575 121.223 0.149 0.000 2.645 395 L HA 0.581 4.922 4.340 0.001 0.000 0.234 395 L C 1.736 178.716 176.870 0.183 0.000 1.165 395 L CA -0.085 54.833 54.840 0.129 0.000 0.944 395 L CB -0.373 41.711 42.059 0.042 0.000 1.149 395 L HN 0.212 nan 8.230 nan 0.000 0.446 396 G N -1.892 107.102 108.800 0.324 0.000 3.126 396 G HA2 -0.057 3.903 3.960 0.001 0.000 0.224 396 G HA3 -0.057 3.903 3.960 0.001 0.000 0.224 396 G C 0.456 175.544 174.900 0.312 0.000 1.142 396 G CA -0.282 45.047 45.100 0.383 0.000 0.759 396 G HN 0.419 nan 8.290 nan 0.000 0.550 397 H N 2.146 121.378 119.070 0.270 0.000 3.001 397 H HA 0.035 4.591 4.556 0.001 0.000 0.334 397 H C -0.974 174.291 175.328 -0.105 0.000 1.034 397 H CA -1.060 54.995 56.048 0.012 0.000 1.420 397 H CB 1.865 31.693 29.762 0.109 0.000 1.405 397 H HN 0.024 nan 8.280 nan 0.000 0.593 398 P HA -0.163 nan 4.420 nan 0.000 0.214 398 P C 0.600 177.967 177.300 0.113 0.000 1.163 398 P CA 1.271 64.317 63.100 -0.090 0.000 0.889 398 P CB 0.345 31.903 31.700 -0.237 0.000 0.790 399 D N -0.347 120.253 120.400 0.333 0.000 2.352 399 D HA 0.208 4.848 4.640 0.001 0.000 0.232 399 D C 1.331 177.652 176.300 0.035 0.000 1.055 399 D CA 1.020 55.094 54.000 0.123 0.000 0.891 399 D CB -0.361 40.476 40.800 0.062 0.000 0.897 399 D HN 0.286 nan 8.370 nan 0.000 0.529 400 G N 0.845 109.700 108.800 0.091 0.000 2.756 400 G HA2 -0.211 3.749 3.960 0.001 0.000 0.678 400 G HA3 -0.211 3.749 3.960 0.001 0.000 0.678 400 G C -2.010 172.879 174.900 -0.018 0.000 1.349 400 G CA -0.723 44.395 45.100 0.031 0.000 0.847 400 G HN -0.097 nan 8.290 nan 0.000 0.548 401 P HA -0.259 nan 4.420 nan 0.000 0.216 401 P C 2.353 179.613 177.300 -0.067 0.000 1.151 401 P CA 3.581 66.667 63.100 -0.023 0.000 0.953 401 P CB -0.227 31.447 31.700 -0.043 0.000 0.789 402 A N -1.003 121.765 122.820 -0.087 0.000 2.024 402 A HA -0.144 4.177 4.320 0.001 0.000 0.220 402 A C 2.285 179.783 177.584 -0.142 0.000 1.164 402 A CA 2.282 54.258 52.037 -0.102 0.000 0.643 402 A CB -1.497 17.449 19.000 -0.090 0.000 0.806 402 A HN 0.263 nan 8.150 nan 0.000 0.451 403 A N -0.577 122.104 122.820 -0.232 0.000 1.897 403 A HA 0.237 4.558 4.320 0.001 0.000 0.215 403 A C 2.405 179.660 177.584 -0.549 0.000 1.181 403 A CA 1.624 53.404 52.037 -0.429 0.000 0.620 403 A CB -1.319 17.309 19.000 -0.620 0.000 0.821 403 A HN 0.676 nan 8.150 nan 0.000 0.443 404 G N -0.113 108.426 108.800 -0.435 0.000 2.446 404 G HA2 -0.057 3.904 3.960 0.001 0.000 0.217 404 G HA3 -0.057 3.904 3.960 0.001 0.000 0.217 404 G C 1.788 176.711 174.900 0.039 0.000 1.168 404 G CA 1.733 46.826 45.100 -0.012 0.000 0.771 404 G HN 0.782 nan 8.290 nan 0.000 0.551 405 A N 0.780 123.620 122.820 0.034 0.000 1.851 405 A HA -0.086 4.235 4.320 0.001 0.000 0.216 405 A C 2.429 180.021 177.584 0.013 0.000 1.195 405 A CA 1.861 53.968 52.037 0.117 0.000 0.622 405 A CB -0.546 18.511 19.000 0.095 0.000 0.831 405 A HN 0.342 nan 8.150 nan 0.000 0.444 406 R N -0.741 119.741 120.500 -0.030 0.000 2.117 406 R HA -0.169 4.171 4.340 0.001 0.000 0.243 406 R C 2.452 178.738 176.300 -0.023 0.000 1.143 406 R CA 1.259 57.341 56.100 -0.030 0.000 0.968 406 R CB -0.487 29.789 30.300 -0.040 0.000 0.863 406 R HN 0.568 nan 8.270 nan 0.000 0.444 407 A N 0.515 123.327 122.820 -0.015 0.000 1.855 407 A HA -0.110 4.210 4.320 0.001 0.000 0.215 407 A C 2.353 179.917 177.584 -0.033 0.000 1.191 407 A CA 1.364 53.430 52.037 0.049 0.000 0.613 407 A CB -0.627 18.494 19.000 0.203 0.000 0.829 407 A HN 0.114 nan 8.150 nan 0.000 0.442 408 V N 0.391 120.226 119.914 -0.132 0.000 2.282 408 V HA -0.280 3.841 4.120 0.001 0.000 0.249 408 V C 2.697 178.560 176.094 -0.385 0.000 1.057 408 V CA 2.210 64.297 62.300 -0.356 0.000 1.032 408 V CB -0.830 30.503 31.823 -0.817 0.000 0.645 408 V HN 0.459 nan 8.190 nan 0.000 0.447 409 R N -0.515 119.793 120.500 -0.319 0.000 2.189 409 R HA -0.108 4.233 4.340 0.001 0.000 0.223 409 R C 2.289 178.511 176.300 -0.130 0.000 1.092 409 R CA 1.106 57.087 56.100 -0.197 0.000 0.989 409 R CB -0.290 29.960 30.300 -0.083 0.000 0.876 409 R HN 0.650 nan 8.270 nan 0.000 0.457 410 Q N -0.259 119.485 119.800 -0.093 0.000 2.020 410 Q HA -0.030 4.310 4.340 0.001 0.000 0.198 410 Q C 2.190 178.084 176.000 -0.177 0.000 0.974 410 Q CA 1.490 57.258 55.803 -0.059 0.000 0.829 410 Q CB -0.165 28.594 28.738 0.035 0.000 0.894 410 Q HN 0.292 nan 8.270 nan 0.000 0.433 411 A N 1.033 123.769 122.820 -0.139 0.000 1.917 411 A HA -0.227 4.093 4.320 0.001 0.000 0.219 411 A C 2.012 179.461 177.584 -0.226 0.000 1.182 411 A CA 1.460 53.398 52.037 -0.166 0.000 0.633 411 A CB -0.810 18.123 19.000 -0.112 0.000 0.819 411 A HN 0.361 nan 8.150 nan 0.000 0.448 412 I N -0.518 119.925 120.570 -0.212 0.000 2.315 412 I HA -0.194 3.977 4.170 0.001 0.000 0.248 412 I C 1.737 177.732 176.117 -0.203 0.000 1.117 412 I CA 1.279 62.469 61.300 -0.183 0.000 1.404 412 I CB -0.448 37.459 38.000 -0.154 0.000 1.071 412 I HN 0.241 nan 8.210 nan 0.000 0.419 413 D N 1.207 121.456 120.400 -0.252 0.000 2.117 413 D HA -0.116 4.525 4.640 0.001 0.000 0.198 413 D C 2.286 178.292 176.300 -0.490 0.000 0.982 413 D CA 1.478 55.309 54.000 -0.281 0.000 0.828 413 D CB -0.121 40.559 40.800 -0.200 0.000 0.967 413 D HN 0.302 nan 8.370 nan 0.000 0.464 414 A N 0.816 123.132 122.820 -0.841 0.000 1.902 414 A HA -0.144 4.177 4.320 0.001 0.000 0.217 414 A C 2.367 179.716 177.584 -0.392 0.000 1.181 414 A CA 0.983 52.450 52.037 -0.950 0.000 0.623 414 A CB -0.672 17.779 19.000 -0.915 0.000 0.818 414 A HN 0.202 nan 8.150 nan 0.000 0.443 415 I N -0.759 119.646 120.570 -0.276 0.000 2.202 415 I HA -0.242 3.929 4.170 0.001 0.000 0.242 415 I C 2.458 178.505 176.117 -0.117 0.000 1.091 415 I CA 1.102 62.310 61.300 -0.153 0.000 1.368 415 I CB -0.456 37.473 38.000 -0.119 0.000 1.058 415 I HN 0.260 nan 8.210 nan 0.000 0.410 416 M N 0.102 119.629 119.600 -0.122 0.000 2.346 416 M HA -0.214 4.267 4.480 0.001 0.000 0.263 416 M C 1.713 177.973 176.300 -0.066 0.000 1.064 416 M CA 1.750 57.003 55.300 -0.077 0.000 1.083 416 M CB -0.886 31.674 32.600 -0.067 0.000 1.399 416 M HN 0.391 nan 8.290 nan 0.000 0.435 417 Q N -1.412 118.331 119.800 -0.094 0.000 2.247 417 Q HA 0.255 4.595 4.340 0.001 0.000 0.211 417 Q C 1.278 177.254 176.000 -0.040 0.000 0.861 417 Q CA 0.396 56.166 55.803 -0.055 0.000 0.949 417 Q CB 0.725 29.435 28.738 -0.047 0.000 1.115 417 Q HN 0.668 nan 8.270 nan 0.000 0.507 418 G N 1.284 110.050 108.800 -0.056 0.000 2.267 418 G HA2 -0.292 3.668 3.960 0.001 0.000 0.257 418 G HA3 -0.292 3.668 3.960 0.001 0.000 0.257 418 G C 0.132 175.019 174.900 -0.021 0.000 0.998 418 G CA -0.036 45.045 45.100 -0.032 0.000 0.620 418 G HN 0.274 nan 8.290 nan 0.000 0.529 419 I N 3.845 124.402 120.570 -0.022 0.000 2.664 419 I HA 0.272 4.443 4.170 0.001 0.000 0.284 419 I C -1.497 174.628 176.117 0.013 0.000 1.154 419 I CA -1.705 59.614 61.300 0.032 0.000 1.402 419 I CB 0.287 38.371 38.000 0.140 0.000 1.395 419 I HN -0.055 nan 8.210 nan 0.000 0.545 420 P HA -0.037 nan 4.420 nan 0.000 0.266 420 P C 0.897 178.254 177.300 0.094 0.000 1.193 420 P CA -0.215 62.915 63.100 0.050 0.000 0.770 420 P CB 0.537 32.269 31.700 0.052 0.000 0.836 421 L N 1.770 123.055 121.223 0.103 0.000 2.191 421 L HA -0.134 4.206 4.340 0.001 0.000 0.212 421 L C 1.438 178.413 176.870 0.174 0.000 1.103 421 L CA 1.959 56.880 54.840 0.135 0.000 0.769 421 L CB -1.038 41.103 42.059 0.137 0.000 0.908 421 L HN 0.418 nan 8.230 nan 0.000 0.438 422 D N -0.304 120.197 120.400 0.167 0.000 2.149 422 D HA -0.137 4.503 4.640 0.001 0.000 0.201 422 D C 2.074 178.449 176.300 0.124 0.000 0.972 422 D CA 0.763 54.849 54.000 0.144 0.000 0.835 422 D CB 0.243 41.123 40.800 0.134 0.000 0.966 422 D HN 0.262 nan 8.370 nan 0.000 0.476 423 E N -0.213 120.064 120.200 0.129 0.000 2.152 423 E HA -0.133 4.217 4.350 0.001 0.000 0.192 423 E C 1.869 178.565 176.600 0.160 0.000 0.983 423 E CA 0.384 56.856 56.400 0.120 0.000 0.818 423 E CB -0.304 29.461 29.700 0.109 0.000 0.758 423 E HN 0.432 nan 8.360 nan 0.000 0.467 424 Y N 0.903 121.242 120.300 0.064 0.000 2.420 424 Y HA 0.055 4.605 4.550 0.001 0.000 0.292 424 Y C 2.149 178.150 175.900 0.170 0.000 1.119 424 Y CA 0.875 59.026 58.100 0.084 0.000 1.229 424 Y CB 0.032 38.482 38.460 -0.016 0.000 1.026 424 Y HN 0.004 nan 8.280 nan 0.000 0.554 425 A N 0.051 122.994 122.820 0.205 0.000 2.014 425 A HA -0.121 4.200 4.320 0.001 0.000 0.218 425 A C 2.056 179.692 177.584 0.087 0.000 1.163 425 A CA 1.263 53.395 52.037 0.158 0.000 0.652 425 A CB -0.391 18.684 19.000 0.125 0.000 0.808 425 A HN 0.435 nan 8.150 nan 0.000 0.449 426 K N -0.101 120.330 120.400 0.052 0.000 2.360 426 K HA -0.091 4.230 4.320 0.001 0.000 0.201 426 K C 0.985 177.552 176.600 -0.054 0.000 1.046 426 K CA 1.550 57.839 56.287 0.004 0.000 0.940 426 K CB -0.190 32.313 32.500 0.005 0.000 0.748 426 K HN 0.674 nan 8.250 nan 0.000 0.465 427 T N -2.856 111.636 114.554 -0.104 0.000 3.182 427 T HA 0.169 4.520 4.350 0.001 0.000 0.277 427 T C -0.440 173.898 174.700 -0.602 0.000 1.013 427 T CA -0.627 61.287 62.100 -0.311 0.000 0.900 427 T CB -0.070 68.569 68.868 -0.383 0.000 1.098 427 T HN 0.062 nan 8.240 nan 0.000 0.543 428 H N -0.055 118.940 119.070 -0.126 0.000 3.162 428 H HA 0.546 5.103 4.556 0.001 0.000 0.309 428 H C 1.114 176.432 175.328 -0.016 0.000 1.156 428 H CA -0.350 55.650 56.048 -0.081 0.000 1.586 428 H CB 1.203 30.910 29.762 -0.092 0.000 1.740 428 H HN 0.106 nan 8.280 nan 0.000 0.525 429 K N 1.940 122.370 120.400 0.051 0.000 2.032 429 K HA -0.174 4.146 4.320 0.001 0.000 0.209 429 K C 1.667 178.323 176.600 0.094 0.000 1.048 429 K CA 2.097 58.411 56.287 0.046 0.000 0.927 429 K CB -0.373 32.134 32.500 0.012 0.000 0.712 429 K HN 0.602 nan 8.250 nan 0.000 0.441 430 E N 0.337 120.604 120.200 0.112 0.000 2.110 430 E HA -0.109 4.242 4.350 0.001 0.000 0.193 430 E C 1.988 178.763 176.600 0.293 0.000 0.988 430 E CA 1.146 57.653 56.400 0.178 0.000 0.804 430 E CB -0.283 29.439 29.700 0.037 0.000 0.745 430 E HN 0.418 nan 8.360 nan 0.000 0.458 431 L N 0.908 122.246 121.223 0.192 0.000 1.994 431 L HA -0.070 4.270 4.340 0.001 0.000 0.208 431 L C 2.133 179.069 176.870 0.111 0.000 1.071 431 L CA 2.293 57.231 54.840 0.163 0.000 0.745 431 L CB -1.179 40.977 42.059 0.163 0.000 0.892 431 L HN 0.101 nan 8.230 nan 0.000 0.431 432 A N -0.183 122.694 122.820 0.095 0.000 1.917 432 A HA -0.237 4.083 4.320 0.001 0.000 0.219 432 A C 2.332 179.907 177.584 -0.016 0.000 1.182 432 A CA 1.886 53.948 52.037 0.042 0.000 0.633 432 A CB -0.609 18.413 19.000 0.037 0.000 0.819 432 A HN 0.527 nan 8.150 nan 0.000 0.448 433 R N -0.578 119.915 120.500 -0.012 0.000 2.120 433 R HA -0.050 4.290 4.340 0.001 0.000 0.234 433 R C 2.380 178.469 176.300 -0.352 0.000 1.123 433 R CA 1.291 57.314 56.100 -0.128 0.000 0.975 433 R CB -0.901 29.386 30.300 -0.022 0.000 0.866 433 R HN 0.563 nan 8.270 nan 0.000 0.446 434 A N 1.134 123.782 122.820 -0.286 0.000 1.872 434 A HA -0.101 4.220 4.320 0.001 0.000 0.214 434 A C 2.123 179.623 177.584 -0.140 0.000 1.187 434 A CA 0.842 52.702 52.037 -0.295 0.000 0.614 434 A CB -0.365 18.700 19.000 0.108 0.000 0.826 434 A HN 0.078 nan 8.150 nan 0.000 0.442 435 L N 0.266 121.453 121.223 -0.061 0.000 2.081 435 L HA -0.220 4.121 4.340 0.001 0.000 0.212 435 L C 2.407 179.205 176.870 -0.120 0.000 1.080 435 L CA 2.303 57.097 54.840 -0.075 0.000 0.754 435 L CB -0.964 41.068 42.059 -0.046 0.000 0.893 435 L HN 0.665 nan 8.230 nan 0.000 0.433 436 E N -0.348 119.756 120.200 -0.161 0.000 2.072 436 E HA -0.269 4.082 4.350 0.001 0.000 0.191 436 E C 2.255 178.700 176.600 -0.258 0.000 0.985 436 E CA 1.269 57.564 56.400 -0.174 0.000 0.801 436 E CB 0.040 29.640 29.700 -0.166 0.000 0.750 436 E HN 0.439 nan 8.360 nan 0.000 0.452 437 K N -0.881 119.249 120.400 -0.451 0.000 2.167 437 K HA -0.093 4.227 4.320 0.001 0.000 0.203 437 K C 1.371 177.625 176.600 -0.577 0.000 1.052 437 K CA 1.130 57.021 56.287 -0.659 0.000 0.956 437 K CB 0.134 31.935 32.500 -1.164 0.000 0.735 437 K HN 0.258 nan 8.250 nan 0.000 0.451 438 W N -0.106 121.033 121.300 -0.268 0.000 2.904 438 W HA 0.275 4.935 4.660 0.001 0.000 0.265 438 W C 1.192 177.535 176.519 -0.294 0.000 1.138 438 W CA 0.584 57.693 57.345 -0.395 0.000 1.455 438 W CB -0.389 28.581 29.460 -0.816 0.000 0.924 438 W HN 0.376 nan 8.180 nan 0.000 0.619 439 G N 1.650 110.433 108.800 -0.028 0.000 2.591 439 G HA2 -0.313 3.648 3.960 0.001 0.000 0.298 439 G HA3 -0.313 3.648 3.960 0.001 0.000 0.298 439 G C 0.204 175.025 174.900 -0.131 0.000 1.195 439 G CA 0.886 45.953 45.100 -0.054 0.000 0.989 439 G HN 0.462 nan 8.290 nan 0.000 0.551 440 H N -0.455 118.729 119.070 0.189 0.000 2.505 440 H HA 0.477 5.034 4.556 0.001 0.000 0.260 440 H C 0.524 175.978 175.328 0.210 0.000 1.168 440 H CA 0.164 56.348 56.048 0.226 0.000 0.945 440 H CB 0.236 30.066 29.762 0.113 0.000 1.800 440 H HN 0.369 nan 8.280 nan 0.000 0.586 441 V N 1.867 121.972 119.914 0.318 0.000 2.924 441 V HA 0.062 4.182 4.120 0.001 0.000 0.305 441 V C 0.348 176.593 176.094 0.251 0.000 1.073 441 V CA 0.365 62.804 62.300 0.232 0.000 1.098 441 V CB 1.496 33.414 31.823 0.159 0.000 1.000 441 V HN 0.351 nan 8.190 nan 0.000 0.484 442 T N 7.929 122.567 114.554 0.140 0.000 2.853 442 T HA 0.440 4.790 4.350 0.001 0.000 0.317 442 T C -2.540 172.205 174.700 0.074 0.000 1.059 442 T CA -0.696 61.457 62.100 0.089 0.000 0.954 442 T CB 1.035 69.935 68.868 0.052 0.000 0.994 442 T HN 0.623 nan 8.240 nan 0.000 0.479 443 P HA 0.470 nan 4.420 nan 0.000 0.275 443 P C -0.707 176.616 177.300 0.038 0.000 1.228 443 P CA -0.367 62.765 63.100 0.053 0.000 0.786 443 P CB 0.806 32.529 31.700 0.039 0.000 0.927 444 V N 0.000 119.936 119.914 0.037 0.000 2.409 444 V HA 0.000 4.120 4.120 0.001 0.000 0.244 444 V CA 0.000 62.318 62.300 0.030 0.000 1.235 444 V CB 0.000 31.840 31.823 0.029 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556