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 2ob3_1_A DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIXVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPYSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWTF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLRA 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.268 176.300 -0.054 0.000 2.045 35 D CA 0.000 53.971 54.000 -0.048 0.000 0.868 35 D CB 0.000 40.775 40.800 -0.042 0.000 0.688 36 R N 0.328 120.795 120.500 -0.054 0.000 2.641 36 R HA 0.578 4.946 4.340 0.046 0.000 0.269 36 R C -0.121 176.136 176.300 -0.072 0.000 1.074 36 R CA -0.198 55.865 56.100 -0.061 0.000 1.133 36 R CB 0.801 31.067 30.300 -0.056 0.000 1.029 36 R HN 0.305 nan 8.270 nan 0.000 0.488 37 I N 2.263 122.784 120.570 -0.082 0.000 2.336 37 I HA 0.111 4.309 4.170 0.046 0.000 0.292 37 I C -0.038 176.028 176.117 -0.085 0.000 0.991 37 I CA -0.763 60.483 61.300 -0.089 0.000 1.227 37 I CB 1.241 39.185 38.000 -0.094 0.000 1.366 37 I HN 0.373 nan 8.210 nan 0.000 0.466 38 N N 4.789 123.442 118.700 -0.078 0.000 2.468 38 N HA 0.147 4.915 4.740 0.046 0.000 0.265 38 N C -0.016 175.460 175.510 -0.056 0.000 1.199 38 N CA 0.146 53.157 53.050 -0.065 0.000 0.928 38 N CB 1.048 39.498 38.487 -0.063 0.000 1.059 38 N HN 0.709 nan 8.380 nan 0.000 0.467 39 T N -3.022 111.507 114.554 -0.042 0.000 2.910 39 T HA 0.339 4.716 4.350 0.046 0.000 0.287 39 T C 1.405 176.105 174.700 0.000 0.000 1.050 39 T CA -0.754 61.339 62.100 -0.012 0.000 1.011 39 T CB 0.785 69.660 68.868 0.011 0.000 1.195 39 T HN 0.110 nan 8.240 nan 0.000 0.540 40 V N -0.541 119.384 119.914 0.018 0.000 2.759 40 V HA 0.078 4.225 4.120 0.046 0.000 0.256 40 V C 2.107 178.210 176.094 0.016 0.000 1.080 40 V CA 0.908 63.216 62.300 0.013 0.000 1.101 40 V CB -1.175 30.660 31.823 0.019 0.000 0.698 40 V HN 0.829 nan 8.190 nan 0.000 0.477 41 R N 1.266 121.786 120.500 0.033 0.000 2.297 41 R HA 0.496 4.863 4.340 0.046 0.000 0.197 41 R C 0.973 177.283 176.300 0.017 0.000 0.943 41 R CA 0.637 56.755 56.100 0.032 0.000 1.038 41 R CB 0.321 30.656 30.300 0.058 0.000 0.957 41 R HN 0.740 nan 8.270 nan 0.000 0.484 42 G N 1.121 109.923 108.800 0.003 0.000 2.354 42 G HA2 -0.099 3.888 3.960 0.046 0.000 0.582 42 G HA3 -0.099 3.888 3.960 0.046 0.000 0.582 42 G C -3.146 171.736 174.900 -0.030 0.000 1.316 42 G CA -1.311 43.780 45.100 -0.015 0.000 0.995 42 G HN -0.201 nan 8.290 nan 0.000 0.573 43 P HA 0.534 nan 4.420 nan 0.000 0.275 43 P C 0.072 177.329 177.300 -0.070 0.000 1.227 43 P CA -0.166 62.900 63.100 -0.057 0.000 0.781 43 P CB 0.774 32.444 31.700 -0.050 0.000 0.906 44 I N -1.295 119.212 120.570 -0.106 0.000 2.740 44 I HA 0.662 4.859 4.170 0.046 0.000 0.303 44 I C 0.085 176.137 176.117 -0.108 0.000 1.044 44 I CA -0.999 60.218 61.300 -0.138 0.000 1.064 44 I CB 2.328 40.148 38.000 -0.299 0.000 1.249 44 I HN 0.237 nan 8.210 nan 0.000 0.433 45 T N 0.832 115.335 114.554 -0.086 0.000 2.849 45 T HA 0.410 4.788 4.350 0.046 0.000 0.284 45 T C 1.116 175.777 174.700 -0.064 0.000 1.004 45 T CA -0.504 61.559 62.100 -0.061 0.000 1.021 45 T CB 1.426 70.271 68.868 -0.039 0.000 1.013 45 T HN 0.637 nan 8.240 nan 0.000 0.527 46 I N 1.350 121.893 120.570 -0.045 0.000 2.248 46 I HA -0.238 3.960 4.170 0.046 0.000 0.248 46 I C 2.932 179.036 176.117 -0.021 0.000 1.107 46 I CA 1.900 63.180 61.300 -0.033 0.000 1.373 46 I CB -0.505 37.480 38.000 -0.024 0.000 1.055 46 I HN 0.910 nan 8.210 nan 0.000 0.418 47 S N 0.080 115.770 115.700 -0.015 0.000 2.419 47 S HA -0.198 4.300 4.470 0.046 0.000 0.233 47 S C 1.680 176.287 174.600 0.012 0.000 1.016 47 S CA 1.194 59.395 58.200 0.001 0.000 0.974 47 S CB -0.448 62.754 63.200 0.002 0.000 0.786 47 S HN 0.548 nan 8.310 nan 0.000 0.492 48 E N 1.064 121.260 120.200 -0.006 0.000 2.385 48 E HA 0.259 4.636 4.350 0.046 0.000 0.194 48 E C 2.207 178.824 176.600 0.028 0.000 1.013 48 E CA 0.472 56.881 56.400 0.016 0.000 0.866 48 E CB -0.185 29.484 29.700 -0.050 0.000 0.832 48 E HN 0.702 nan 8.360 nan 0.000 0.500 49 A N 1.519 124.332 122.820 -0.011 0.000 1.898 49 A HA 0.118 4.466 4.320 0.046 0.000 0.216 49 A C 1.563 179.225 177.584 0.129 0.000 1.181 49 A CA 1.287 53.340 52.037 0.027 0.000 0.620 49 A CB -0.909 18.091 19.000 -0.001 0.000 0.819 49 A HN 0.327 nan 8.150 nan 0.000 0.442 50 G N -1.352 107.512 108.800 0.105 0.000 2.601 50 G HA2 -0.219 3.769 3.960 0.046 0.000 0.261 50 G HA3 -0.219 3.769 3.960 0.046 0.000 0.261 50 G C -0.029 174.973 174.900 0.170 0.000 1.289 50 G CA 0.018 45.201 45.100 0.138 0.000 0.920 50 G HN 1.164 nan 8.290 nan 0.000 0.571 51 F N 2.528 122.508 119.950 0.050 0.000 2.557 51 F HA 0.507 5.061 4.527 0.045 0.000 0.384 51 F C 0.864 176.699 175.800 0.058 0.000 1.057 51 F CA 0.665 58.693 58.000 0.045 0.000 1.169 51 F CB 0.286 39.307 39.000 0.035 0.000 1.070 51 F HN 0.469 nan 8.300 nan 0.000 0.554 52 T N 7.951 122.623 114.554 0.196 0.000 2.841 52 T HA 0.454 4.831 4.350 0.046 0.000 0.285 52 T C -0.393 174.408 174.700 0.168 0.000 0.991 52 T CA -0.618 61.597 62.100 0.192 0.000 0.966 52 T CB 1.087 70.015 68.868 0.100 0.000 0.962 52 T HN 0.394 nan 8.240 nan 0.000 0.438 53 L N 3.573 124.931 121.223 0.225 0.000 2.260 53 L HA 0.323 4.690 4.340 0.046 0.000 0.289 53 L C 1.677 178.627 176.870 0.132 0.000 1.057 53 L CA -0.516 54.439 54.840 0.191 0.000 0.811 53 L CB 0.974 43.165 42.059 0.221 0.000 1.184 53 L HN 0.848 nan 8.230 nan 0.000 0.429 54 T N -2.039 112.579 114.554 0.107 0.000 3.107 54 T HA 0.015 4.392 4.350 0.046 0.000 0.249 54 T C 0.378 175.140 174.700 0.103 0.000 1.096 54 T CA 0.200 62.356 62.100 0.094 0.000 1.012 54 T CB -0.291 68.612 68.868 0.059 0.000 0.977 54 T HN 0.606 nan 8.240 nan 0.000 0.527 55 H N 0.531 119.606 119.070 0.008 0.000 3.162 55 H HA 0.473 5.056 4.556 0.046 0.000 0.309 55 H C -1.158 174.151 175.328 -0.033 0.000 1.156 55 H CA -0.519 55.506 56.048 -0.038 0.000 1.586 55 H CB 0.661 30.411 29.762 -0.019 0.000 1.740 55 H HN 0.030 nan 8.280 nan 0.000 0.525 56 E N 2.570 122.712 120.200 -0.097 0.000 2.456 56 E HA 0.370 4.747 4.350 0.046 0.000 0.276 56 E C -0.925 175.392 176.600 -0.472 0.000 0.981 56 E CA -0.900 55.462 56.400 -0.064 0.000 0.814 56 E CB 2.122 31.855 29.700 0.054 0.000 1.382 56 E HN 0.601 nan 8.360 nan 0.000 0.459 57 H N 0.378 119.429 119.070 -0.032 0.000 2.930 57 H HA 0.320 4.903 4.556 0.046 0.000 0.371 57 H C 0.856 176.135 175.328 -0.080 0.000 1.169 57 H CA -0.561 55.425 56.048 -0.103 0.000 1.157 57 H CB 1.845 31.489 29.762 -0.198 0.000 1.789 57 H HN 0.264 nan 8.280 nan 0.000 0.547 58 I N 0.351 120.986 120.570 0.107 0.000 2.339 58 I HA -0.060 4.138 4.170 0.046 0.000 0.245 58 I C 1.173 177.359 176.117 0.114 0.000 1.096 58 I CA 1.039 62.457 61.300 0.196 0.000 1.408 58 I CB -0.010 38.094 38.000 0.173 0.000 1.092 58 I HN 0.337 nan 8.210 nan 0.000 0.423 59 C N 0.862 120.170 119.300 0.014 0.000 2.642 59 C HA 0.728 5.215 4.460 0.046 0.000 0.344 59 C C 0.272 175.169 174.990 -0.155 0.000 1.110 59 C CA -0.591 58.390 59.018 -0.061 0.000 1.298 59 C CB 0.562 28.233 27.740 -0.115 0.000 1.827 59 C HN 0.516 nan 8.230 nan 0.000 0.467 60 G N 3.943 112.577 108.800 -0.277 0.000 2.504 60 G HA2 0.548 4.536 3.960 0.046 0.000 0.326 60 G HA3 0.548 4.536 3.960 0.046 0.000 0.326 60 G C -0.142 174.615 174.900 -0.239 0.000 1.073 60 G CA 0.279 45.073 45.100 -0.510 0.000 1.030 60 G HN 1.016 nan 8.290 nan 0.000 0.448 61 S N 1.248 116.830 115.700 -0.196 0.000 3.642 61 S HA 0.850 5.347 4.470 0.046 0.000 0.312 61 S C -0.208 174.307 174.600 -0.142 0.000 1.117 61 S CA -0.376 57.766 58.200 -0.097 0.000 1.104 61 S CB 1.235 64.493 63.200 0.098 0.000 1.397 61 S HN 0.567 nan 8.310 nan 0.000 0.756 62 S N 0.416 116.061 115.700 -0.092 0.000 2.564 62 S HA 0.769 5.266 4.470 0.046 0.000 0.274 62 S C -0.764 173.813 174.600 -0.038 0.000 1.124 62 S CA -0.271 57.890 58.200 -0.064 0.000 0.869 62 S CB 1.464 64.621 63.200 -0.071 0.000 1.105 62 S HN 1.060 nan 8.310 nan 0.000 0.472 63 A N 0.668 123.379 122.820 -0.181 0.000 2.567 63 A HA 0.481 4.829 4.320 0.046 0.000 0.240 63 A C 1.550 179.108 177.584 -0.044 0.000 1.053 63 A CA 0.759 52.612 52.037 -0.305 0.000 0.755 63 A CB -1.225 17.297 19.000 -0.797 0.000 0.978 63 A HN 2.081 nan 8.150 nan 0.000 0.507 64 G N 1.275 110.083 108.800 0.014 0.000 2.267 64 G HA2 -0.371 3.617 3.960 0.046 0.000 0.257 64 G HA3 -0.371 3.617 3.960 0.046 0.000 0.257 64 G C 0.866 175.861 174.900 0.159 0.000 0.998 64 G CA 1.066 46.219 45.100 0.090 0.000 0.620 64 G HN 1.276 nan 8.290 nan 0.000 0.529 65 F N 0.775 120.763 119.950 0.063 0.000 2.163 65 F HA 0.280 4.817 4.527 0.016 0.000 0.297 65 F C 2.406 178.339 175.800 0.222 0.000 1.094 65 F CA 1.957 60.039 58.000 0.137 0.000 1.290 65 F CB -0.192 38.860 39.000 0.088 0.000 1.017 65 F HN 0.212 nan 8.300 nan 0.000 0.483 66 L N 0.831 122.249 121.223 0.325 0.000 2.083 66 L HA -0.156 4.211 4.340 0.046 0.000 0.209 66 L C 2.289 179.232 176.870 0.122 0.000 1.083 66 L CA 1.670 56.647 54.840 0.229 0.000 0.752 66 L CB -0.760 41.319 42.059 0.033 0.000 0.899 66 L HN -0.043 nan 8.230 nan 0.000 0.433 67 R N -0.128 120.425 120.500 0.087 0.000 2.090 67 R HA 0.099 4.467 4.340 0.046 0.000 0.228 67 R C 2.139 178.471 176.300 0.053 0.000 1.110 67 R CA 1.232 57.371 56.100 0.065 0.000 0.973 67 R CB -1.265 29.071 30.300 0.059 0.000 0.869 67 R HN 0.516 nan 8.270 nan 0.000 0.440 68 A N -1.358 121.480 122.820 0.031 0.000 2.021 68 A HA -0.032 4.315 4.320 0.046 0.000 0.216 68 A C 0.541 178.135 177.584 0.017 0.000 1.163 68 A CA 0.423 52.460 52.037 0.001 0.000 0.676 68 A CB -0.028 18.964 19.000 -0.013 0.000 0.818 68 A HN 0.383 nan 8.150 nan 0.000 0.453 69 W N 1.085 122.217 121.300 -0.279 0.000 1.290 69 W HA 0.368 5.043 4.660 0.025 0.000 0.304 69 W C -2.557 173.922 176.519 -0.068 0.000 0.858 69 W CA -2.203 54.969 57.345 -0.288 0.000 1.894 69 W CB 0.980 30.062 29.460 -0.630 0.000 1.934 69 W HN 0.156 nan 8.180 nan 0.000 0.472 70 P HA -0.184 nan 4.420 nan 0.000 0.220 70 P C 0.792 178.311 177.300 0.365 0.000 1.148 70 P CA 1.699 65.009 63.100 0.351 0.000 0.803 70 P CB 0.493 32.318 31.700 0.209 0.000 0.782 71 E N -0.712 119.683 120.200 0.324 0.000 2.333 71 E HA -0.128 4.249 4.350 0.046 0.000 0.198 71 E C 1.624 178.274 176.600 0.084 0.000 1.007 71 E CA 0.507 57.047 56.400 0.234 0.000 0.845 71 E CB -1.305 28.554 29.700 0.265 0.000 0.766 71 E HN 0.282 nan 8.360 nan 0.000 0.507 72 F N -0.038 119.746 119.950 -0.278 0.000 2.202 72 F HA -0.182 4.387 4.527 0.069 0.000 0.301 72 F C 1.011 176.499 175.800 -0.520 0.000 1.082 72 F CA 1.209 58.799 58.000 -0.683 0.000 1.313 72 F CB 0.022 38.311 39.000 -1.185 0.000 1.024 72 F HN -0.021 nan 8.300 nan 0.000 0.495 73 F N 0.167 120.132 119.950 0.026 0.000 2.692 73 F HA 0.349 4.895 4.527 0.032 0.000 0.303 73 F C 1.720 177.510 175.800 -0.017 0.000 1.114 73 F CA 0.488 58.504 58.000 0.027 0.000 1.361 73 F CB -0.015 39.075 39.000 0.151 0.000 1.063 73 F HN 0.195 nan 8.300 nan 0.000 0.550 74 G N 0.515 109.350 108.800 0.058 0.000 4.365 74 G HA2 -0.272 3.716 3.960 0.046 0.000 0.214 74 G HA3 -0.272 3.716 3.960 0.046 0.000 0.214 74 G C 0.299 175.262 174.900 0.106 0.000 1.450 74 G CA 0.164 45.298 45.100 0.057 0.000 0.937 74 G HN 0.840 nan 8.290 nan 0.000 0.625 75 S N -1.292 114.496 115.700 0.146 0.000 2.611 75 S HA 0.687 5.185 4.470 0.046 0.000 0.268 75 S C 0.388 175.071 174.600 0.139 0.000 1.156 75 S CA 0.603 58.886 58.200 0.139 0.000 0.817 75 S CB 1.684 64.936 63.200 0.088 0.000 1.122 75 S HN 0.881 nan 8.310 nan 0.000 0.466 76 R N 1.026 121.589 120.500 0.106 0.000 2.091 76 R HA -0.091 4.277 4.340 0.046 0.000 0.238 76 R C 2.157 178.476 176.300 0.032 0.000 1.136 76 R CA 1.883 58.014 56.100 0.052 0.000 0.959 76 R CB -0.466 29.856 30.300 0.038 0.000 0.856 76 R HN 0.776 nan 8.270 nan 0.000 0.437 77 K N -0.081 120.341 120.400 0.037 0.000 2.032 77 K HA -0.147 4.200 4.320 0.046 0.000 0.209 77 K C 1.935 178.549 176.600 0.024 0.000 1.048 77 K CA 1.575 57.876 56.287 0.023 0.000 0.927 77 K CB -0.211 32.303 32.500 0.024 0.000 0.712 77 K HN 0.245 nan 8.250 nan 0.000 0.441 78 A N 1.358 124.203 122.820 0.042 0.000 1.883 78 A HA -0.169 4.178 4.320 0.046 0.000 0.217 78 A C 2.082 179.696 177.584 0.050 0.000 1.186 78 A CA 1.571 53.636 52.037 0.047 0.000 0.624 78 A CB -0.708 18.331 19.000 0.066 0.000 0.822 78 A HN 0.426 nan 8.150 nan 0.000 0.444 79 L N -0.218 121.042 121.223 0.063 0.000 2.017 79 L HA -0.054 4.314 4.340 0.046 0.000 0.208 79 L C 2.648 179.520 176.870 0.003 0.000 1.073 79 L CA 2.353 57.222 54.840 0.049 0.000 0.745 79 L CB -0.894 41.151 42.059 -0.022 0.000 0.894 79 L HN 0.335 nan 8.230 nan 0.000 0.432 80 A N -0.714 122.097 122.820 -0.016 0.000 1.902 80 A HA -0.240 4.107 4.320 0.046 0.000 0.217 80 A C 2.154 179.703 177.584 -0.059 0.000 1.181 80 A CA 1.880 53.895 52.037 -0.037 0.000 0.623 80 A CB -0.706 18.278 19.000 -0.026 0.000 0.818 80 A HN 0.633 nan 8.150 nan 0.000 0.443 81 E N -0.499 119.677 120.200 -0.039 0.000 2.077 81 E HA -0.222 4.156 4.350 0.046 0.000 0.193 81 E C 2.105 178.654 176.600 -0.084 0.000 0.989 81 E CA 1.456 57.826 56.400 -0.050 0.000 0.800 81 E CB -0.143 29.544 29.700 -0.022 0.000 0.746 81 E HN 0.679 nan 8.360 nan 0.000 0.452 82 K N 0.765 121.126 120.400 -0.064 0.000 2.026 82 K HA -0.155 4.192 4.320 0.046 0.000 0.208 82 K C 2.148 178.550 176.600 -0.330 0.000 1.048 82 K CA 1.243 57.480 56.287 -0.083 0.000 0.929 82 K CB -0.114 32.414 32.500 0.047 0.000 0.713 82 K HN 0.094 nan 8.250 nan 0.000 0.439 83 A N 0.618 123.201 122.820 -0.395 0.000 1.902 83 A HA -0.102 4.245 4.320 0.046 0.000 0.217 83 A C 2.239 179.428 177.584 -0.658 0.000 1.181 83 A CA 1.612 53.131 52.037 -0.864 0.000 0.623 83 A CB -0.630 18.201 19.000 -0.282 0.000 0.818 83 A HN 0.182 nan 8.150 nan 0.000 0.443 84 V N 0.039 119.764 119.914 -0.316 0.000 2.343 84 V HA -0.277 3.871 4.120 0.046 0.000 0.247 84 V C 2.643 178.614 176.094 -0.205 0.000 1.051 84 V CA 2.254 64.431 62.300 -0.205 0.000 1.036 84 V CB -0.824 30.928 31.823 -0.118 0.000 0.654 84 V HN 0.525 nan 8.190 nan 0.000 0.451 85 R N 0.061 120.441 120.500 -0.200 0.000 2.091 85 R HA -0.125 4.243 4.340 0.046 0.000 0.238 85 R C 2.454 178.663 176.300 -0.151 0.000 1.136 85 R CA 1.571 57.589 56.100 -0.137 0.000 0.959 85 R CB -0.808 29.438 30.300 -0.090 0.000 0.856 85 R HN 0.598 nan 8.270 nan 0.000 0.437 86 G N 0.773 109.394 108.800 -0.299 0.000 2.403 86 G HA2 -0.180 3.807 3.960 0.046 0.000 0.216 86 G HA3 -0.180 3.807 3.960 0.046 0.000 0.216 86 G C 1.439 176.321 174.900 -0.029 0.000 1.154 86 G CA 0.237 45.252 45.100 -0.142 0.000 0.784 86 G HN 0.115 nan 8.290 nan 0.000 0.538 87 L N -0.298 120.827 121.223 -0.164 0.000 2.093 87 L HA -0.001 4.366 4.340 0.046 0.000 0.208 87 L C 3.125 179.980 176.870 -0.025 0.000 1.085 87 L CA 0.805 55.641 54.840 -0.007 0.000 0.755 87 L CB -0.278 41.764 42.059 -0.028 0.000 0.904 87 L HN 0.129 nan 8.230 nan 0.000 0.435 88 R N -0.559 119.904 120.500 -0.061 0.000 2.092 88 R HA -0.086 4.282 4.340 0.046 0.000 0.231 88 R C 2.358 178.634 176.300 -0.040 0.000 1.119 88 R CA 0.833 56.903 56.100 -0.051 0.000 0.970 88 R CB -0.141 30.124 30.300 -0.057 0.000 0.864 88 R HN 0.209 nan 8.270 nan 0.000 0.440 89 R N 0.198 120.681 120.500 -0.029 0.000 2.153 89 R HA 0.086 4.453 4.340 0.046 0.000 0.218 89 R C 2.003 178.285 176.300 -0.031 0.000 1.072 89 R CA 1.066 57.150 56.100 -0.026 0.000 0.990 89 R CB -0.620 29.673 30.300 -0.012 0.000 0.889 89 R HN 0.213 nan 8.270 nan 0.000 0.452 90 A N 1.033 123.848 122.820 -0.007 0.000 1.902 90 A HA -0.155 4.193 4.320 0.046 0.000 0.217 90 A C 2.276 179.809 177.584 -0.084 0.000 1.181 90 A CA 1.351 53.369 52.037 -0.031 0.000 0.623 90 A CB -0.422 18.602 19.000 0.039 0.000 0.818 90 A HN 0.200 nan 8.150 nan 0.000 0.443 91 R N -0.434 120.030 120.500 -0.060 0.000 2.081 91 R HA -0.111 4.256 4.340 0.046 0.000 0.235 91 R C 2.257 178.505 176.300 -0.087 0.000 1.131 91 R CA 1.344 57.399 56.100 -0.074 0.000 0.960 91 R CB -0.374 29.892 30.300 -0.057 0.000 0.856 91 R HN 0.455 nan 8.270 nan 0.000 0.436 92 A N 0.292 123.068 122.820 -0.073 0.000 2.019 92 A HA -0.052 4.296 4.320 0.046 0.000 0.219 92 A C 2.028 179.559 177.584 -0.089 0.000 1.164 92 A CA 1.558 53.554 52.037 -0.069 0.000 0.644 92 A CB -0.352 18.616 19.000 -0.053 0.000 0.805 92 A HN 0.487 nan 8.150 nan 0.000 0.449 93 A N -2.267 120.480 122.820 -0.122 0.000 2.251 93 A HA 0.447 4.794 4.320 0.046 0.000 0.209 93 A C 1.623 179.053 177.584 -0.258 0.000 1.187 93 A CA 1.163 53.101 52.037 -0.164 0.000 0.823 93 A CB -0.531 18.368 19.000 -0.168 0.000 0.846 93 A HN 1.723 nan 8.150 nan 0.000 0.486 94 G N -1.839 106.809 108.800 -0.254 0.000 2.211 94 G HA2 -0.163 3.824 3.960 0.046 0.000 0.201 94 G HA3 -0.163 3.824 3.960 0.046 0.000 0.201 94 G C 0.163 174.823 174.900 -0.399 0.000 0.997 94 G CA -0.085 44.834 45.100 -0.302 0.000 0.652 94 G HN 0.647 nan 8.290 nan 0.000 0.500 95 V N 1.952 121.618 119.914 -0.415 0.000 2.637 95 V HA 0.406 4.554 4.120 0.046 0.000 0.296 95 V C 1.481 177.560 176.094 -0.026 0.000 1.046 95 V CA 0.234 62.399 62.300 -0.226 0.000 1.066 95 V CB 1.418 33.162 31.823 -0.132 0.000 0.968 95 V HN 0.332 nan 8.190 nan 0.000 0.483 96 R N 1.616 122.179 120.500 0.106 0.000 2.342 96 R HA 0.244 4.612 4.340 0.046 0.000 0.204 96 R C 0.146 176.538 176.300 0.153 0.000 0.882 96 R CA 0.310 56.472 56.100 0.103 0.000 1.041 96 R CB 0.835 31.225 30.300 0.151 0.000 1.188 96 R HN 0.688 nan 8.270 nan 0.000 0.598 97 T N 2.058 116.734 114.554 0.203 0.000 2.912 97 T HA 0.586 4.963 4.350 0.046 0.000 0.299 97 T C -0.298 174.505 174.700 0.172 0.000 1.052 97 T CA -0.604 61.623 62.100 0.211 0.000 0.996 97 T CB 2.309 71.301 68.868 0.207 0.000 1.070 97 T HN 0.152 nan 8.240 nan 0.000 0.465 98 I N -0.768 119.887 120.570 0.142 0.000 2.740 98 I HA 0.889 5.086 4.170 0.046 0.000 0.303 98 I C -1.146 175.017 176.117 0.077 0.000 1.044 98 I CA -1.293 60.078 61.300 0.118 0.000 1.064 98 I CB 1.932 40.006 38.000 0.123 0.000 1.249 98 I HN 0.278 nan 8.210 nan 0.000 0.433 99 V N 3.536 123.477 119.914 0.045 0.000 2.328 99 V HA 0.239 4.387 4.120 0.046 0.000 0.278 99 V C -0.410 175.630 176.094 -0.090 0.000 1.021 99 V CA -0.243 62.052 62.300 -0.009 0.000 0.838 99 V CB 0.879 32.706 31.823 0.006 0.000 0.999 99 V HN 0.729 nan 8.190 nan 0.000 0.447 100 D N 4.461 124.803 120.400 -0.097 0.000 2.365 100 D HA 0.121 4.789 4.640 0.046 0.000 0.237 100 D C 0.738 176.894 176.300 -0.240 0.000 1.190 100 D CA -0.229 53.668 54.000 -0.173 0.000 0.867 100 D CB 1.772 42.528 40.800 -0.072 0.000 1.050 100 D HN 0.457 nan 8.370 nan 0.000 0.491 101 V N 1.606 121.249 119.914 -0.453 0.000 3.337 101 V HA 0.258 4.406 4.120 0.046 0.000 0.343 101 V C 0.411 176.350 176.094 -0.257 0.000 1.302 101 V CA -0.612 61.449 62.300 -0.398 0.000 1.268 101 V CB -0.739 30.722 31.823 -0.603 0.000 1.185 101 V HN 0.269 nan 8.190 nan 0.000 0.447 102 S N 2.726 118.340 115.700 -0.143 0.000 2.505 102 S HA 0.420 4.917 4.470 0.046 0.000 0.276 102 S C 0.868 175.444 174.600 -0.039 0.000 1.274 102 S CA 0.221 58.400 58.200 -0.035 0.000 1.053 102 S CB 0.802 64.008 63.200 0.010 0.000 0.919 102 S HN 0.890 nan 8.310 nan 0.000 0.490 103 T N 0.684 115.226 114.554 -0.019 0.000 2.810 103 T HA 0.370 4.747 4.350 0.046 0.000 0.277 103 T C 1.020 175.821 174.700 0.169 0.000 0.973 103 T CA -0.769 61.390 62.100 0.099 0.000 0.949 103 T CB 0.115 69.082 68.868 0.165 0.000 1.075 103 T HN 0.377 nan 8.240 nan 0.000 0.537 104 F N 2.096 122.150 119.950 0.174 0.000 2.063 104 F HA -0.247 4.342 4.527 0.102 0.000 0.298 104 F C 2.087 177.983 175.800 0.159 0.000 1.105 104 F CA 2.603 60.727 58.000 0.207 0.000 1.215 104 F CB -0.485 38.711 39.000 0.327 0.000 0.972 104 F HN 0.767 nan 8.300 nan 0.000 0.483 105 D N -0.099 120.397 120.400 0.160 0.000 2.355 105 D HA -0.111 4.557 4.640 0.046 0.000 0.218 105 D C 1.847 178.181 176.300 0.057 0.000 1.004 105 D CA 0.779 54.828 54.000 0.082 0.000 0.880 105 D CB -0.837 40.177 40.800 0.357 0.000 0.911 105 D HN 0.495 nan 8.370 nan 0.000 0.528 106 I N 0.361 120.887 120.570 -0.073 0.000 3.684 106 I HA 0.126 4.324 4.170 0.046 0.000 0.304 106 I C 1.429 177.430 176.117 -0.193 0.000 1.278 106 I CA 0.415 61.539 61.300 -0.293 0.000 1.272 106 I CB -0.212 37.483 38.000 -0.509 0.000 1.029 106 I HN 0.146 nan 8.210 nan 0.000 0.458 107 G N 2.277 110.983 108.800 -0.156 0.000 2.147 107 G HA2 -0.330 3.657 3.960 0.046 0.000 0.244 107 G HA3 -0.330 3.657 3.960 0.046 0.000 0.244 107 G C 0.541 175.399 174.900 -0.070 0.000 1.005 107 G CA -0.030 45.000 45.100 -0.116 0.000 0.713 107 G HN 0.499 nan 8.290 nan 0.000 0.515 108 R N 0.495 120.964 120.500 -0.053 0.000 2.481 108 R HA 0.121 4.489 4.340 0.046 0.000 0.291 108 R C -0.944 175.364 176.300 0.014 0.000 0.934 108 R CA 0.919 57.014 56.100 -0.008 0.000 1.116 108 R CB 0.188 30.507 30.300 0.032 0.000 0.895 108 R HN 0.150 nan 8.270 nan 0.000 0.410 109 D N 5.136 125.542 120.400 0.010 0.000 2.438 109 D HA 0.045 4.712 4.640 0.046 0.000 0.257 109 D C 1.144 177.458 176.300 0.023 0.000 1.148 109 D CA -0.529 53.483 54.000 0.021 0.000 0.902 109 D CB 1.367 42.169 40.800 0.003 0.000 1.062 109 D HN 0.360 nan 8.370 nan 0.000 0.518 110 V N 1.598 121.534 119.914 0.038 0.000 2.759 110 V HA -0.103 4.044 4.120 0.046 0.000 0.256 110 V C 1.843 177.951 176.094 0.023 0.000 1.080 110 V CA 1.350 63.668 62.300 0.029 0.000 1.101 110 V CB -0.622 31.221 31.823 0.033 0.000 0.698 110 V HN 0.304 nan 8.190 nan 0.000 0.477 111 S N 1.034 116.749 115.700 0.026 0.000 2.368 111 S HA -0.127 4.370 4.470 0.046 0.000 0.225 111 S C 1.791 176.399 174.600 0.012 0.000 1.030 111 S CA 1.962 60.174 58.200 0.019 0.000 0.999 111 S CB -0.526 62.688 63.200 0.023 0.000 0.844 111 S HN 0.603 nan 8.310 nan 0.000 0.459 112 L N 1.523 122.751 121.223 0.008 0.000 2.017 112 L HA -0.042 4.325 4.340 0.046 0.000 0.208 112 L C 1.891 178.765 176.870 0.008 0.000 1.073 112 L CA 1.549 56.389 54.840 -0.001 0.000 0.745 112 L CB -0.751 41.298 42.059 -0.016 0.000 0.894 112 L HN 0.151 nan 8.230 nan 0.000 0.432 113 L N 0.042 121.275 121.223 0.016 0.000 2.013 113 L HA -0.199 4.168 4.340 0.046 0.000 0.212 113 L C 2.718 179.600 176.870 0.021 0.000 1.073 113 L CA 2.144 56.999 54.840 0.025 0.000 0.753 113 L CB -1.629 40.445 42.059 0.025 0.000 0.890 113 L HN 0.374 nan 8.230 nan 0.000 0.432 114 A N -0.955 121.875 122.820 0.016 0.000 1.902 114 A HA -0.269 4.079 4.320 0.046 0.000 0.217 114 A C 2.353 179.941 177.584 0.007 0.000 1.181 114 A CA 1.791 53.836 52.037 0.013 0.000 0.623 114 A CB -0.634 18.372 19.000 0.011 0.000 0.818 114 A HN 0.523 nan 8.150 nan 0.000 0.443 115 E N 0.173 120.375 120.200 0.003 0.000 2.058 115 E HA -0.183 4.194 4.350 0.046 0.000 0.194 115 E C 1.970 178.564 176.600 -0.010 0.000 0.997 115 E CA 2.303 58.701 56.400 -0.003 0.000 0.801 115 E CB -0.258 29.439 29.700 -0.005 0.000 0.746 115 E HN 0.557 nan 8.360 nan 0.000 0.450 116 V N -1.129 118.779 119.914 -0.009 0.000 2.591 116 V HA -0.112 4.036 4.120 0.046 0.000 0.249 116 V C 2.351 178.435 176.094 -0.017 0.000 1.053 116 V CA 1.824 64.111 62.300 -0.022 0.000 1.068 116 V CB -0.463 31.345 31.823 -0.026 0.000 0.689 116 V HN 0.254 nan 8.190 nan 0.000 0.462 117 S N 0.788 116.488 115.700 0.001 0.000 2.359 117 S HA -0.230 4.267 4.470 0.046 0.000 0.224 117 S C 2.243 176.831 174.600 -0.020 0.000 1.035 117 S CA 2.032 60.232 58.200 -0.000 0.000 1.018 117 S CB -0.393 62.820 63.200 0.022 0.000 0.876 117 S HN 0.704 nan 8.310 nan 0.000 0.448 118 R N 0.605 121.098 120.500 -0.013 0.000 2.073 118 R HA 0.032 4.399 4.340 0.046 0.000 0.234 118 R C 2.687 178.971 176.300 -0.028 0.000 1.134 118 R CA 1.374 57.463 56.100 -0.018 0.000 0.952 118 R CB -0.601 29.693 30.300 -0.010 0.000 0.850 118 R HN 0.504 nan 8.270 nan 0.000 0.433 119 A N 0.874 123.677 122.820 -0.029 0.000 1.930 119 A HA -0.007 4.341 4.320 0.046 0.000 0.217 119 A C 2.157 179.715 177.584 -0.044 0.000 1.175 119 A CA 1.572 53.588 52.037 -0.035 0.000 0.627 119 A CB -0.330 18.648 19.000 -0.037 0.000 0.815 119 A HN 0.386 nan 8.150 nan 0.000 0.443 120 A N -1.610 121.180 122.820 -0.050 0.000 2.238 120 A HA 0.319 4.667 4.320 0.046 0.000 0.210 120 A C 0.761 178.307 177.584 -0.063 0.000 1.179 120 A CA 1.027 53.030 52.037 -0.057 0.000 0.827 120 A CB -0.176 18.788 19.000 -0.059 0.000 0.856 120 A HN 0.506 nan 8.150 nan 0.000 0.488 121 D N -0.932 119.425 120.400 -0.072 0.000 2.699 121 D HA -0.127 4.540 4.640 0.046 0.000 0.239 121 D C -0.792 175.413 176.300 -0.157 0.000 1.136 121 D CA 0.892 54.826 54.000 -0.109 0.000 0.668 121 D CB -1.571 39.174 40.800 -0.091 0.000 1.060 121 D HN 0.193 nan 8.370 nan 0.000 0.429 122 V N 2.649 122.483 119.914 -0.134 0.000 2.487 122 V HA 0.315 4.462 4.120 0.046 0.000 0.298 122 V C 0.465 176.498 176.094 -0.101 0.000 1.028 122 V CA -0.963 61.264 62.300 -0.121 0.000 0.860 122 V CB 1.881 33.691 31.823 -0.021 0.000 0.991 122 V HN 0.230 nan 8.190 nan 0.000 0.427 123 H N 4.813 123.901 119.070 0.031 0.000 2.848 123 H HA 0.416 4.999 4.556 0.045 0.000 0.341 123 H C -0.386 174.961 175.328 0.032 0.000 1.060 123 H CA 0.388 56.451 56.048 0.026 0.000 1.444 123 H CB 1.023 30.801 29.762 0.026 0.000 1.446 123 H HN 0.439 nan 8.280 nan 0.000 0.583 124 I N 3.183 123.841 120.570 0.148 0.000 2.447 124 I HA 0.106 4.303 4.170 0.046 0.000 0.287 124 I C -0.212 175.936 176.117 0.052 0.000 1.023 124 I CA -0.832 60.520 61.300 0.086 0.000 1.083 124 I CB 2.057 40.096 38.000 0.064 0.000 1.245 124 I HN 0.127 nan 8.210 nan 0.000 0.434 125 V N 5.610 125.541 119.914 0.029 0.000 2.432 125 V HA 0.508 4.655 4.120 0.046 0.000 0.275 125 V C 0.713 176.791 176.094 -0.026 0.000 1.043 125 V CA -0.352 61.943 62.300 -0.007 0.000 0.925 125 V CB 1.232 33.044 31.823 -0.018 0.000 0.985 125 V HN 0.842 nan 8.190 nan 0.000 0.466 126 A N 4.442 127.243 122.820 -0.031 0.000 2.264 126 A HA 0.912 5.260 4.320 0.046 0.000 0.304 126 A C 0.208 177.755 177.584 -0.062 0.000 1.100 126 A CA -0.085 51.929 52.037 -0.038 0.000 0.839 126 A CB 1.013 20.001 19.000 -0.020 0.000 1.121 126 A HN 1.234 nan 8.150 nan 0.000 0.496 127 A N 0.001 122.782 122.820 -0.066 0.000 2.356 127 A HA 0.766 5.113 4.320 0.046 0.000 0.323 127 A C 0.172 177.710 177.584 -0.077 0.000 1.119 127 A CA -0.005 51.978 52.037 -0.090 0.000 0.790 127 A CB 1.277 20.212 19.000 -0.108 0.000 1.273 127 A HN 1.070 nan 8.150 nan 0.000 0.452 128 T N -0.642 113.831 114.554 -0.135 0.000 2.864 128 T HA 0.778 5.156 4.350 0.046 0.000 0.276 128 T C 0.535 175.059 174.700 -0.293 0.000 1.006 128 T CA 0.965 62.961 62.100 -0.174 0.000 0.970 128 T CB 0.826 69.558 68.868 -0.226 0.000 1.420 128 T HN 2.646 nan 8.240 nan 0.000 0.601 129 G N -0.344 108.105 108.800 -0.585 0.000 2.526 129 G HA2 0.068 4.056 3.960 0.046 0.000 0.250 129 G HA3 0.068 4.056 3.960 0.046 0.000 0.250 129 G C -1.750 173.137 174.900 -0.022 0.000 1.289 129 G CA -0.359 44.260 45.100 -0.802 0.000 0.947 129 G HN 0.869 nan 8.290 nan 0.000 0.517 130 L N -1.275 120.018 121.223 0.116 0.000 2.455 130 L HA 0.643 5.010 4.340 0.046 0.000 0.264 130 L C -0.032 176.986 176.870 0.247 0.000 0.968 130 L CA -0.725 54.315 54.840 0.333 0.000 0.827 130 L CB 2.261 44.606 42.059 0.477 0.000 1.317 130 L HN 0.851 nan 8.230 nan 0.000 0.407 131 W N 1.772 123.090 121.300 0.030 0.000 2.240 131 W HA 0.372 5.035 4.660 0.005 0.000 0.576 131 W C 0.710 177.133 176.519 -0.158 0.000 1.811 131 W CA -0.003 57.244 57.345 -0.163 0.000 1.962 131 W CB 0.178 29.590 29.460 -0.079 0.000 2.620 131 W HN 0.299 nan 8.180 nan 0.000 0.753 132 F N 0.873 120.511 119.950 -0.520 0.000 2.802 132 F HA 0.059 4.607 4.527 0.035 0.000 0.300 132 F C 1.076 176.701 175.800 -0.292 0.000 1.168 132 F CA 0.867 58.502 58.000 -0.610 0.000 1.433 132 F CB -0.308 38.013 39.000 -1.132 0.000 1.115 132 F HN 0.019 nan 8.300 nan 0.000 0.582 133 D N 0.201 120.684 120.400 0.138 0.000 2.957 133 D HA 0.159 4.826 4.640 0.046 0.000 0.352 133 D C -2.658 173.772 176.300 0.216 0.000 1.352 133 D CA -2.145 51.966 54.000 0.186 0.000 0.831 133 D CB 0.293 41.263 40.800 0.284 0.000 1.147 133 D HN -0.058 nan 8.370 nan 0.000 0.467 134 P HA 0.228 nan 4.420 nan 0.000 0.276 134 P C -2.540 174.811 177.300 0.085 0.000 1.230 134 P CA -1.094 62.122 63.100 0.193 0.000 0.776 134 P CB 0.938 32.731 31.700 0.156 0.000 0.888 135 P HA 0.190 nan 4.420 nan 0.000 0.277 135 P C 1.270 178.554 177.300 -0.025 0.000 1.271 135 P CA -0.449 62.691 63.100 0.066 0.000 0.795 135 P CB 1.121 32.904 31.700 0.138 0.000 1.101 136 L N 0.039 121.242 121.223 -0.034 0.000 2.081 136 L HA -0.207 4.161 4.340 0.046 0.000 0.212 136 L C 2.549 179.368 176.870 -0.085 0.000 1.080 136 L CA 1.877 56.674 54.840 -0.073 0.000 0.754 136 L CB -0.942 41.091 42.059 -0.043 0.000 0.893 136 L HN 0.382 nan 8.230 nan 0.000 0.433 137 S N -1.094 114.575 115.700 -0.052 0.000 2.447 137 S HA -0.069 4.429 4.470 0.046 0.000 0.233 137 S C 1.884 176.409 174.600 -0.124 0.000 1.006 137 S CA 0.971 59.126 58.200 -0.076 0.000 0.957 137 S CB -0.003 63.161 63.200 -0.059 0.000 0.773 137 S HN 0.293 nan 8.310 nan 0.000 0.507 138 M N 1.127 120.654 119.600 -0.122 0.000 2.429 138 M HA 0.093 4.600 4.480 0.046 0.000 0.265 138 M C 2.063 178.248 176.300 -0.191 0.000 1.120 138 M CA 0.946 56.179 55.300 -0.112 0.000 1.173 138 M CB -0.881 31.710 32.600 -0.015 0.000 1.343 138 M HN 0.352 nan 8.290 nan 0.000 0.464 139 R N -0.153 120.069 120.500 -0.464 0.000 2.280 139 R HA 0.025 4.393 4.340 0.046 0.000 0.207 139 R C 1.395 177.413 176.300 -0.470 0.000 1.043 139 R CA 0.667 56.140 56.100 -1.046 0.000 1.006 139 R CB -0.325 29.393 30.300 -0.970 0.000 0.885 139 R HN 0.218 nan 8.270 nan 0.000 0.467 140 L N 1.009 122.110 121.223 -0.204 0.000 2.592 140 L HA 0.205 4.573 4.340 0.046 0.000 0.227 140 L C 0.365 177.233 176.870 -0.003 0.000 1.127 140 L CA 0.367 55.161 54.840 -0.078 0.000 0.884 140 L CB -0.308 41.710 42.059 -0.068 0.000 1.065 140 L HN 0.141 nan 8.230 nan 0.000 0.457 141 R N 0.474 121.001 120.500 0.046 0.000 2.500 141 R HA 0.237 4.605 4.340 0.046 0.000 0.275 141 R C 0.653 177.019 176.300 0.110 0.000 1.051 141 R CA -0.083 56.052 56.100 0.059 0.000 1.088 141 R CB 1.115 31.433 30.300 0.029 0.000 1.063 141 R HN 0.107 nan 8.270 nan 0.000 0.511 142 S N -0.364 115.361 115.700 0.041 0.000 2.645 142 S HA 0.050 4.548 4.470 0.046 0.000 0.266 142 S C 1.306 175.901 174.600 -0.007 0.000 1.258 142 S CA -0.679 57.537 58.200 0.028 0.000 0.990 142 S CB 1.168 64.372 63.200 0.007 0.000 0.967 142 S HN 0.396 nan 8.310 nan 0.000 0.556 143 V N 1.238 121.141 119.914 -0.019 0.000 2.392 143 V HA -0.174 3.974 4.120 0.046 0.000 0.249 143 V C 2.352 178.410 176.094 -0.061 0.000 1.059 143 V CA 2.449 64.719 62.300 -0.050 0.000 1.051 143 V CB -1.105 30.700 31.823 -0.030 0.000 0.658 143 V HN 0.969 nan 8.190 nan 0.000 0.455 144 E N -0.466 119.710 120.200 -0.040 0.000 2.072 144 E HA -0.221 4.156 4.350 0.046 0.000 0.191 144 E C 2.178 178.742 176.600 -0.060 0.000 0.985 144 E CA 1.563 57.939 56.400 -0.041 0.000 0.801 144 E CB -0.127 29.558 29.700 -0.024 0.000 0.750 144 E HN 0.717 nan 8.360 nan 0.000 0.452 145 E N 0.704 120.868 120.200 -0.059 0.000 2.047 145 E HA -0.162 4.216 4.350 0.046 0.000 0.191 145 E C 2.194 178.724 176.600 -0.116 0.000 0.987 145 E CA 0.765 57.126 56.400 -0.065 0.000 0.799 145 E CB -0.060 29.610 29.700 -0.051 0.000 0.752 145 E HN 0.216 nan 8.360 nan 0.000 0.449 146 L N 0.740 121.853 121.223 -0.183 0.000 2.083 146 L HA -0.183 4.184 4.340 0.046 0.000 0.209 146 L C 2.565 179.059 176.870 -0.627 0.000 1.083 146 L CA 1.199 55.785 54.840 -0.424 0.000 0.752 146 L CB -0.653 41.132 42.059 -0.458 0.000 0.899 146 L HN 0.181 nan 8.230 nan 0.000 0.433 147 T N -0.895 113.467 114.554 -0.320 0.000 2.746 147 T HA -0.242 4.135 4.350 0.046 0.000 0.267 147 T C 1.894 176.530 174.700 -0.106 0.000 1.039 147 T CA 1.363 63.357 62.100 -0.175 0.000 1.142 147 T CB -0.206 68.626 68.868 -0.060 0.000 0.866 147 T HN 0.394 nan 8.240 nan 0.000 0.444 148 Q N -0.159 119.593 119.800 -0.080 0.000 2.096 148 Q HA -0.100 4.267 4.340 0.046 0.000 0.204 148 Q C 2.057 178.062 176.000 0.007 0.000 0.982 148 Q CA 1.505 57.292 55.803 -0.027 0.000 0.850 148 Q CB -0.367 28.359 28.738 -0.019 0.000 0.901 148 Q HN 0.520 nan 8.270 nan 0.000 0.422 149 F N 0.566 120.420 119.950 -0.161 0.000 2.102 149 F HA -0.215 4.347 4.527 0.059 0.000 0.298 149 F C 1.636 177.486 175.800 0.082 0.000 1.105 149 F CA 1.181 59.127 58.000 -0.090 0.000 1.239 149 F CB -0.199 38.699 39.000 -0.170 0.000 0.991 149 F HN -0.037 nan 8.300 nan 0.000 0.474 150 F N 0.638 120.479 119.950 -0.182 0.000 2.134 150 F HA -0.156 4.392 4.527 0.034 0.000 0.299 150 F C 2.360 178.037 175.800 -0.205 0.000 1.097 150 F CA 0.940 58.784 58.000 -0.260 0.000 1.264 150 F CB -1.643 37.309 39.000 -0.080 0.000 1.001 150 F HN 0.021 nan 8.300 nan 0.000 0.479 151 L N -0.441 120.815 121.223 0.056 0.000 2.083 151 L HA -0.204 4.164 4.340 0.046 0.000 0.209 151 L C 2.758 179.624 176.870 -0.006 0.000 1.083 151 L CA 1.275 56.125 54.840 0.017 0.000 0.752 151 L CB -0.603 41.465 42.059 0.016 0.000 0.899 151 L HN 0.069 nan 8.230 nan 0.000 0.433 152 R N 0.691 121.170 120.500 -0.035 0.000 2.083 152 R HA -0.200 4.168 4.340 0.046 0.000 0.237 152 R C 1.988 178.299 176.300 0.017 0.000 1.137 152 R CA 1.855 57.955 56.100 -0.000 0.000 0.951 152 R CB -0.179 30.109 30.300 -0.019 0.000 0.851 152 R HN 0.456 nan 8.270 nan 0.000 0.434 153 E N -0.067 120.058 120.200 -0.124 0.000 2.204 153 E HA -0.138 4.240 4.350 0.046 0.000 0.194 153 E C 2.053 178.619 176.600 -0.057 0.000 0.989 153 E CA 1.125 57.458 56.400 -0.111 0.000 0.824 153 E CB 0.010 29.556 29.700 -0.258 0.000 0.756 153 E HN 0.465 nan 8.360 nan 0.000 0.477 154 I N 0.617 121.157 120.570 -0.050 0.000 2.339 154 I HA -0.209 3.988 4.170 0.046 0.000 0.245 154 I C 2.326 178.431 176.117 -0.019 0.000 1.096 154 I CA 0.995 62.270 61.300 -0.042 0.000 1.408 154 I CB -0.007 37.967 38.000 -0.044 0.000 1.092 154 I HN -0.000 nan 8.210 nan 0.000 0.423 155 Q N -0.943 118.866 119.800 0.015 0.000 2.259 155 Q HA -0.082 4.285 4.340 0.046 0.000 0.201 155 Q C 1.743 177.787 176.000 0.074 0.000 0.938 155 Q CA 1.043 56.866 55.803 0.034 0.000 0.872 155 Q CB 0.212 28.975 28.738 0.043 0.000 0.971 155 Q HN 0.496 nan 8.270 nan 0.000 0.494 156 Y N -0.202 120.081 120.300 -0.028 0.000 2.351 156 Y HA 0.355 4.931 4.550 0.043 0.000 0.291 156 Y C 0.618 176.509 175.900 -0.015 0.000 1.153 156 Y CA 1.281 59.371 58.100 -0.017 0.000 1.193 156 Y CB 0.888 39.342 38.460 -0.010 0.000 1.187 156 Y HN 0.022 nan 8.280 nan 0.000 0.524 157 G N 0.166 108.986 108.800 0.034 0.000 2.350 157 G HA2 0.173 4.160 3.960 0.046 0.000 0.304 157 G HA3 0.173 4.160 3.960 0.046 0.000 0.304 157 G C -1.998 172.955 174.900 0.089 0.000 1.421 157 G CA -0.685 44.386 45.100 -0.049 0.000 0.934 157 G HN 0.168 nan 8.290 nan 0.000 0.632 158 I N 1.826 122.427 120.570 0.051 0.000 2.342 158 I HA 0.384 4.581 4.170 0.046 0.000 0.291 158 I C 0.962 177.156 176.117 0.127 0.000 1.010 158 I CA 0.008 61.364 61.300 0.094 0.000 1.308 158 I CB 1.105 39.147 38.000 0.070 0.000 1.400 158 I HN 0.951 nan 8.210 nan 0.000 0.488 159 E N 3.571 123.879 120.200 0.180 0.000 3.333 159 E HA -0.322 4.056 4.350 0.046 0.000 0.342 159 E C -0.080 176.623 176.600 0.172 0.000 1.501 159 E CA 1.764 58.271 56.400 0.178 0.000 1.770 159 E CB -0.436 29.358 29.700 0.156 0.000 1.817 159 E HN 0.927 nan 8.360 nan 0.000 0.485 160 D N 0.070 120.546 120.400 0.127 0.000 2.463 160 D HA 0.058 4.726 4.640 0.046 0.000 0.224 160 D C 0.942 177.273 176.300 0.051 0.000 1.174 160 D CA 0.825 54.891 54.000 0.109 0.000 0.829 160 D CB -0.161 40.699 40.800 0.100 0.000 0.993 160 D HN 0.417 nan 8.370 nan 0.000 0.497 161 T N -4.504 110.070 114.554 0.034 0.000 3.051 161 T HA 0.300 4.677 4.350 0.046 0.000 0.255 161 T C 1.882 176.560 174.700 -0.037 0.000 1.085 161 T CA 0.619 62.723 62.100 0.007 0.000 1.109 161 T CB -0.128 68.752 68.868 0.019 0.000 0.921 161 T HN 0.330 nan 8.240 nan 0.000 0.488 162 G N 1.591 110.338 108.800 -0.088 0.000 2.184 162 G HA2 -0.237 3.750 3.960 0.046 0.000 0.264 162 G HA3 -0.237 3.750 3.960 0.046 0.000 0.264 162 G C 0.103 174.938 174.900 -0.107 0.000 0.975 162 G CA 0.208 45.217 45.100 -0.152 0.000 0.642 162 G HN 0.674 nan 8.290 nan 0.000 0.536 163 I N 1.450 121.985 120.570 -0.059 0.000 2.452 163 I HA 0.275 4.473 4.170 0.046 0.000 0.287 163 I C 1.041 177.132 176.117 -0.042 0.000 1.079 163 I CA -0.102 61.175 61.300 -0.038 0.000 1.387 163 I CB 0.559 38.551 38.000 -0.013 0.000 1.404 163 I HN 0.064 nan 8.210 nan 0.000 0.522 164 R N 4.927 125.398 120.500 -0.048 0.000 2.407 164 R HA 0.645 5.012 4.340 0.046 0.000 0.303 164 R C -0.241 176.030 176.300 -0.049 0.000 0.981 164 R CA -0.759 55.311 56.100 -0.050 0.000 0.905 164 R CB 1.689 31.955 30.300 -0.057 0.000 1.099 164 R HN 0.726 nan 8.270 nan 0.000 0.459 165 A N 1.226 124.013 122.820 -0.055 0.000 2.445 165 A HA 0.325 4.672 4.320 0.046 0.000 0.242 165 A C 1.034 178.569 177.584 -0.081 0.000 1.075 165 A CA 0.130 52.126 52.037 -0.069 0.000 0.777 165 A CB 0.390 19.338 19.000 -0.087 0.000 1.013 165 A HN 0.945 nan 8.150 nan 0.000 0.493 166 G N 0.450 109.198 108.800 -0.088 0.000 3.192 166 G HA2 0.453 4.441 3.960 0.046 0.000 0.239 166 G HA3 0.453 4.441 3.960 0.046 0.000 0.239 166 G C 0.038 174.855 174.900 -0.139 0.000 1.084 166 G CA 0.353 45.389 45.100 -0.106 0.000 0.784 166 G HN 0.712 nan 8.290 nan 0.000 0.540 167 I N -0.402 120.086 120.570 -0.138 0.000 2.984 167 I HA 0.534 4.732 4.170 0.046 0.000 0.303 167 I C -1.430 174.588 176.117 -0.164 0.000 1.381 167 I CA -1.172 60.032 61.300 -0.160 0.000 0.988 167 I CB 2.454 40.380 38.000 -0.123 0.000 1.307 167 I HN -0.109 nan 8.210 nan 0.000 0.460 171 A N 0.784 123.547 122.820 -0.096 0.000 2.574 171 A HA 1.049 5.396 4.320 0.046 0.000 0.297 171 A C -0.404 177.056 177.584 -0.206 0.000 1.062 171 A CA -0.012 51.872 52.037 -0.255 0.000 0.686 171 A CB 1.812 20.213 19.000 -0.999 0.000 1.285 171 A HN 2.594 nan 8.150 nan 0.000 0.403 172 T N -1.854 112.739 114.554 0.064 0.000 2.896 172 T HA 0.782 5.159 4.350 0.046 0.000 0.297 172 T C -0.619 174.385 174.700 0.507 0.000 1.108 172 T CA -0.466 61.770 62.100 0.227 0.000 1.004 172 T CB 2.008 70.946 68.868 0.116 0.000 1.159 172 T HN 1.295 nan 8.240 nan 0.000 0.499 173 T N 0.849 115.640 114.554 0.394 0.000 3.133 173 T HA 0.620 4.997 4.350 0.046 0.000 0.368 173 T C 0.400 175.156 174.700 0.094 0.000 1.190 173 T CA 0.965 63.201 62.100 0.226 0.000 1.282 173 T CB -0.718 68.156 68.868 0.011 0.000 1.042 173 T HN 1.915 nan 8.240 nan 0.000 0.536 174 G N 3.398 112.248 108.800 0.083 0.000 2.587 174 G HA2 -0.149 3.838 3.960 0.046 0.000 0.212 174 G HA3 -0.149 3.838 3.960 0.046 0.000 0.212 174 G C -0.386 174.534 174.900 0.034 0.000 1.327 174 G CA -0.399 44.722 45.100 0.034 0.000 0.898 174 G HN 0.863 nan 8.290 nan 0.000 0.551 175 K N 0.627 121.036 120.400 0.014 0.000 2.530 175 K HA 0.422 4.769 4.320 0.046 0.000 0.280 175 K C 1.020 177.634 176.600 0.023 0.000 1.004 175 K CA 0.454 56.745 56.287 0.008 0.000 1.071 175 K CB -0.002 32.499 32.500 0.002 0.000 0.876 175 K HN 1.625 nan 8.250 nan 0.000 0.487 176 A N 3.922 126.748 122.820 0.011 0.000 2.540 176 A HA 0.070 4.418 4.320 0.046 0.000 0.239 176 A C 0.450 178.053 177.584 0.032 0.000 1.061 176 A CA 0.227 52.275 52.037 0.018 0.000 0.758 176 A CB -0.117 18.871 19.000 -0.020 0.000 0.991 176 A HN 0.890 nan 8.150 nan 0.000 0.502 177 T N 0.849 115.439 114.554 0.060 0.000 2.766 177 T HA 0.311 4.689 4.350 0.046 0.000 0.295 177 T C -1.745 172.998 174.700 0.071 0.000 1.024 177 T CA -0.838 61.306 62.100 0.074 0.000 1.018 177 T CB 0.244 69.180 68.868 0.114 0.000 1.002 177 T HN 0.358 nan 8.240 nan 0.000 0.532 178 P HA -0.055 nan 4.420 nan 0.000 0.216 178 P C 1.207 178.573 177.300 0.110 0.000 1.153 178 P CA 0.761 63.908 63.100 0.079 0.000 0.858 178 P CB -0.134 31.616 31.700 0.082 0.000 0.789 179 F N 0.495 120.457 119.950 0.021 0.000 2.146 179 F HA -0.156 4.401 4.527 0.051 0.000 0.298 179 F C 2.145 177.969 175.800 0.039 0.000 1.096 179 F CA 1.563 59.580 58.000 0.028 0.000 1.275 179 F CB -0.845 38.174 39.000 0.031 0.000 1.008 179 F HN -0.120 nan 8.300 nan 0.000 0.480 180 Q N 0.057 119.848 119.800 -0.015 0.000 2.170 180 Q HA -0.207 4.160 4.340 0.046 0.000 0.203 180 Q C 2.077 177.998 176.000 -0.132 0.000 0.976 180 Q CA 1.831 57.570 55.803 -0.106 0.000 0.858 180 Q CB -0.261 28.480 28.738 0.006 0.000 0.907 180 Q HN 0.568 nan 8.270 nan 0.000 0.433 181 E N 0.474 120.621 120.200 -0.088 0.000 2.077 181 E HA -0.177 4.201 4.350 0.046 0.000 0.193 181 E C 2.033 178.573 176.600 -0.100 0.000 0.989 181 E CA 0.885 57.237 56.400 -0.080 0.000 0.800 181 E CB -0.097 29.577 29.700 -0.044 0.000 0.746 181 E HN 0.369 nan 8.360 nan 0.000 0.452 182 L N 0.628 121.758 121.223 -0.156 0.000 2.046 182 L HA -0.173 4.194 4.340 0.046 0.000 0.208 182 L C 2.534 179.292 176.870 -0.187 0.000 1.077 182 L CA 0.750 55.488 54.840 -0.170 0.000 0.747 182 L CB -0.559 41.375 42.059 -0.209 0.000 0.896 182 L HN 0.046 nan 8.230 nan 0.000 0.432 183 V N 0.265 119.995 119.914 -0.307 0.000 2.343 183 V HA -0.273 3.875 4.120 0.046 0.000 0.247 183 V C 2.458 178.618 176.094 0.109 0.000 1.051 183 V CA 1.577 63.823 62.300 -0.090 0.000 1.036 183 V CB -0.361 31.370 31.823 -0.153 0.000 0.654 183 V HN 0.339 nan 8.190 nan 0.000 0.451 184 L N -0.531 120.719 121.223 0.045 0.000 2.046 184 L HA -0.215 4.152 4.340 0.046 0.000 0.208 184 L C 2.590 179.601 176.870 0.235 0.000 1.077 184 L CA 1.782 56.713 54.840 0.151 0.000 0.747 184 L CB -0.622 41.389 42.059 -0.080 0.000 0.896 184 L HN 0.293 nan 8.230 nan 0.000 0.432 185 K N -0.004 120.464 120.400 0.113 0.000 2.057 185 K HA -0.106 4.241 4.320 0.046 0.000 0.206 185 K C 2.269 178.948 176.600 0.133 0.000 1.050 185 K CA 1.270 57.628 56.287 0.117 0.000 0.935 185 K CB -0.269 32.260 32.500 0.049 0.000 0.715 185 K HN 0.265 nan 8.250 nan 0.000 0.439 186 A N 1.634 124.529 122.820 0.124 0.000 1.902 186 A HA -0.135 4.212 4.320 0.046 0.000 0.217 186 A C 2.390 180.162 177.584 0.313 0.000 1.181 186 A CA 1.884 54.006 52.037 0.142 0.000 0.623 186 A CB -0.729 18.266 19.000 -0.008 0.000 0.818 186 A HN 0.333 nan 8.150 nan 0.000 0.443 187 A N -0.133 122.924 122.820 0.397 0.000 1.902 187 A HA 0.149 4.496 4.320 0.046 0.000 0.217 187 A C 2.513 180.169 177.584 0.120 0.000 1.181 187 A CA 2.138 54.325 52.037 0.251 0.000 0.623 187 A CB -1.032 18.056 19.000 0.148 0.000 0.818 187 A HN 1.069 nan 8.150 nan 0.000 0.443 188 A N -0.136 122.773 122.820 0.148 0.000 1.902 188 A HA -0.176 4.172 4.320 0.046 0.000 0.217 188 A C 2.248 179.862 177.584 0.050 0.000 1.181 188 A CA 1.612 53.689 52.037 0.066 0.000 0.623 188 A CB -0.460 18.649 19.000 0.182 0.000 0.818 188 A HN 0.565 nan 8.150 nan 0.000 0.443 189 R N -0.528 120.021 120.500 0.082 0.000 2.081 189 R HA -0.044 4.323 4.340 0.046 0.000 0.235 189 R C 2.485 178.813 176.300 0.047 0.000 1.131 189 R CA 1.204 57.337 56.100 0.055 0.000 0.960 189 R CB -0.482 29.849 30.300 0.052 0.000 0.856 189 R HN 0.502 nan 8.270 nan 0.000 0.436 190 A N 0.382 123.253 122.820 0.084 0.000 1.933 190 A HA -0.191 4.156 4.320 0.046 0.000 0.218 190 A C 2.195 179.784 177.584 0.008 0.000 1.175 190 A CA 1.848 53.927 52.037 0.071 0.000 0.628 190 A CB -0.629 18.467 19.000 0.161 0.000 0.814 190 A HN 0.313 nan 8.150 nan 0.000 0.444 191 S N -0.527 115.161 115.700 -0.021 0.000 2.368 191 S HA -0.084 4.414 4.470 0.046 0.000 0.225 191 S C 1.873 176.436 174.600 -0.060 0.000 1.030 191 S CA 1.391 59.547 58.200 -0.073 0.000 0.999 191 S CB -0.458 62.668 63.200 -0.122 0.000 0.844 191 S HN 0.490 nan 8.310 nan 0.000 0.459 192 L N 0.737 121.938 121.223 -0.036 0.000 2.275 192 L HA -0.000 4.367 4.340 0.046 0.000 0.215 192 L C 2.554 179.410 176.870 -0.024 0.000 1.119 192 L CA 1.036 55.859 54.840 -0.029 0.000 0.790 192 L CB -0.387 41.666 42.059 -0.011 0.000 0.919 192 L HN 0.428 nan 8.230 nan 0.000 0.443 193 A N -1.189 121.621 122.820 -0.017 0.000 2.147 193 A HA -0.019 4.328 4.320 0.046 0.000 0.211 193 A C 2.019 179.589 177.584 -0.023 0.000 1.160 193 A CA 1.272 53.300 52.037 -0.014 0.000 0.781 193 A CB -0.256 18.742 19.000 -0.003 0.000 0.842 193 A HN 0.446 nan 8.150 nan 0.000 0.475 194 T N -6.966 107.566 114.554 -0.036 0.000 2.992 194 T HA 0.415 4.793 4.350 0.046 0.000 0.255 194 T C 1.529 176.189 174.700 -0.066 0.000 0.938 194 T CA 1.090 63.163 62.100 -0.046 0.000 0.895 194 T CB 0.227 69.066 68.868 -0.047 0.000 1.221 194 T HN 1.572 nan 8.240 nan 0.000 0.512 195 G N 1.902 110.654 108.800 -0.079 0.000 2.245 195 G HA2 -0.286 3.701 3.960 0.046 0.000 0.264 195 G HA3 -0.286 3.701 3.960 0.046 0.000 0.264 195 G C 0.390 175.204 174.900 -0.144 0.000 0.985 195 G CA 0.564 45.603 45.100 -0.103 0.000 0.625 195 G HN 1.721 nan 8.290 nan 0.000 0.536 196 V N -0.100 119.726 119.914 -0.146 0.000 2.763 196 V HA 0.584 4.732 4.120 0.046 0.000 0.306 196 V C -0.980 174.965 176.094 -0.248 0.000 1.059 196 V CA -0.921 61.261 62.300 -0.195 0.000 1.138 196 V CB 0.964 32.688 31.823 -0.164 0.000 0.940 196 V HN 0.309 nan 8.190 nan 0.000 0.489 197 P HA 0.450 nan 4.420 nan 0.000 0.278 197 P C -0.859 176.268 177.300 -0.289 0.000 1.266 197 P CA -0.537 62.296 63.100 -0.445 0.000 0.807 197 P CB 1.518 32.579 31.700 -1.065 0.000 1.094 198 V N -0.054 119.746 119.914 -0.189 0.000 2.513 198 V HA 0.545 4.692 4.120 0.046 0.000 0.299 198 V C 0.456 176.598 176.094 0.079 0.000 1.035 198 V CA -0.191 62.038 62.300 -0.118 0.000 0.889 198 V CB 1.511 33.163 31.823 -0.286 0.000 0.988 198 V HN 0.653 nan 8.190 nan 0.000 0.440 199 T N 2.599 117.204 114.554 0.085 0.000 2.900 199 T HA 0.718 5.095 4.350 0.046 0.000 0.295 199 T C -0.449 174.313 174.700 0.102 0.000 1.044 199 T CA -0.167 62.015 62.100 0.136 0.000 0.995 199 T CB 1.652 70.608 68.868 0.148 0.000 1.072 199 T HN 1.050 nan 8.240 nan 0.000 0.473 200 T N 0.904 115.518 114.554 0.100 0.000 2.907 200 T HA 0.549 4.926 4.350 0.046 0.000 0.292 200 T C -0.773 173.944 174.700 0.028 0.000 1.043 200 T CA -0.744 61.422 62.100 0.110 0.000 1.003 200 T CB 1.280 70.240 68.868 0.154 0.000 1.084 200 T HN 0.754 nan 8.240 nan 0.000 0.483 201 H N 1.176 120.241 119.070 -0.008 0.000 2.527 201 H HA 0.598 5.185 4.556 0.053 0.000 0.321 201 H C 0.188 175.572 175.328 0.092 0.000 1.087 201 H CA -0.114 55.930 56.048 -0.008 0.000 1.337 201 H CB 0.927 30.862 29.762 0.289 0.000 1.440 201 H HN 1.004 nan 8.280 nan 0.000 0.490 202 T N 1.781 116.326 114.554 -0.015 0.000 2.916 202 T HA 0.625 5.002 4.350 0.046 0.000 0.292 202 T C -0.281 174.473 174.700 0.091 0.000 1.055 202 T CA -0.863 61.306 62.100 0.115 0.000 1.009 202 T CB 1.548 70.457 68.868 0.068 0.000 1.118 202 T HN 0.722 nan 8.240 nan 0.000 0.497 203 A N 1.217 124.128 122.820 0.152 0.000 2.807 203 A HA 0.671 5.019 4.320 0.046 0.000 0.307 203 A C 1.614 179.207 177.584 0.015 0.000 1.532 203 A CA -0.185 51.902 52.037 0.082 0.000 1.215 203 A CB -0.985 18.059 19.000 0.073 0.000 1.127 203 A HN 1.280 nan 8.150 nan 0.000 0.543 204 A N 1.993 124.821 122.820 0.013 0.000 1.933 204 A HA -0.100 4.248 4.320 0.046 0.000 0.218 204 A C 2.455 179.950 177.584 -0.149 0.000 1.175 204 A CA 2.094 54.125 52.037 -0.010 0.000 0.628 204 A CB -0.695 18.348 19.000 0.072 0.000 0.814 204 A HN 1.471 nan 8.150 nan 0.000 0.444 205 S N -0.633 115.012 115.700 -0.091 0.000 2.442 205 S HA -0.178 4.320 4.470 0.046 0.000 0.236 205 S C 1.563 176.063 174.600 -0.165 0.000 1.007 205 S CA 1.359 59.488 58.200 -0.118 0.000 0.965 205 S CB -0.393 62.775 63.200 -0.054 0.000 0.773 205 S HN 0.689 nan 8.310 nan 0.000 0.504 206 Q N 0.349 120.060 119.800 -0.149 0.000 2.360 206 Q HA 0.318 4.685 4.340 0.046 0.000 0.202 206 Q C -0.246 175.627 176.000 -0.211 0.000 0.915 206 Q CA -0.269 55.450 55.803 -0.140 0.000 0.943 206 Q CB 0.091 28.787 28.738 -0.070 0.000 1.064 206 Q HN 0.493 nan 8.270 nan 0.000 0.511 207 R N 0.423 120.682 120.500 -0.401 0.000 3.531 207 R HA -0.182 4.186 4.340 0.046 0.000 0.280 207 R C -0.401 175.815 176.300 -0.140 0.000 1.130 207 R CA 0.466 56.195 56.100 -0.618 0.000 0.757 207 R CB -1.646 28.331 30.300 -0.540 0.000 1.218 207 R HN 0.306 nan 8.270 nan 0.000 0.454 208 D N -0.136 120.236 120.400 -0.047 0.000 2.221 208 D HA -0.107 4.560 4.640 0.046 0.000 0.204 208 D C 2.019 178.346 176.300 0.046 0.000 0.982 208 D CA 1.690 55.701 54.000 0.017 0.000 0.857 208 D CB -0.289 40.539 40.800 0.048 0.000 0.934 208 D HN 0.615 nan 8.370 nan 0.000 0.475 209 G N 0.713 109.606 108.800 0.156 0.000 2.450 209 G HA2 -0.296 3.692 3.960 0.046 0.000 0.220 209 G HA3 -0.296 3.692 3.960 0.046 0.000 0.220 209 G C 1.498 176.371 174.900 -0.045 0.000 1.130 209 G CA 0.642 45.771 45.100 0.048 0.000 0.760 209 G HN 0.318 nan 8.290 nan 0.000 0.557 210 E N -0.402 119.850 120.200 0.086 0.000 2.047 210 E HA -0.156 4.221 4.350 0.046 0.000 0.191 210 E C 2.434 179.001 176.600 -0.055 0.000 0.987 210 E CA 1.009 57.412 56.400 0.005 0.000 0.799 210 E CB -0.159 29.583 29.700 0.070 0.000 0.752 210 E HN 0.580 nan 8.360 nan 0.000 0.449 211 Q N 0.776 120.543 119.800 -0.055 0.000 2.079 211 Q HA -0.216 4.152 4.340 0.046 0.000 0.200 211 Q C 2.133 178.026 176.000 -0.178 0.000 0.974 211 Q CA 1.244 56.995 55.803 -0.087 0.000 0.840 211 Q CB 0.130 28.827 28.738 -0.069 0.000 0.898 211 Q HN 0.320 nan 8.270 nan 0.000 0.430 212 Q N -0.119 119.544 119.800 -0.227 0.000 2.061 212 Q HA -0.191 4.176 4.340 0.046 0.000 0.204 212 Q C 2.125 177.802 176.000 -0.538 0.000 0.984 212 Q CA 1.531 57.044 55.803 -0.485 0.000 0.846 212 Q CB -0.260 28.274 28.738 -0.340 0.000 0.902 212 Q HN 0.470 nan 8.270 nan 0.000 0.421 213 A N 1.207 123.876 122.820 -0.252 0.000 1.908 213 A HA -0.181 4.167 4.320 0.046 0.000 0.218 213 A C 2.328 179.947 177.584 0.058 0.000 1.181 213 A CA 1.776 53.778 52.037 -0.058 0.000 0.627 213 A CB -0.893 17.911 19.000 -0.328 0.000 0.818 213 A HN 0.423 nan 8.150 nan 0.000 0.445 214 A N -0.159 122.642 122.820 -0.033 0.000 1.902 214 A HA -0.089 4.259 4.320 0.046 0.000 0.217 214 A C 2.136 179.719 177.584 -0.002 0.000 1.181 214 A CA 1.563 53.603 52.037 0.005 0.000 0.623 214 A CB -0.605 18.385 19.000 -0.017 0.000 0.818 214 A HN 0.512 nan 8.150 nan 0.000 0.443 215 I N -1.567 118.943 120.570 -0.099 0.000 2.179 215 I HA -0.227 3.971 4.170 0.046 0.000 0.242 215 I C 2.231 178.369 176.117 0.035 0.000 1.088 215 I CA 1.160 62.404 61.300 -0.094 0.000 1.357 215 I CB -0.428 37.445 38.000 -0.211 0.000 1.051 215 I HN 0.257 nan 8.210 nan 0.000 0.409 216 F N 1.404 121.393 119.950 0.064 0.000 2.095 216 F HA -0.211 4.342 4.527 0.043 0.000 0.298 216 F C 2.558 178.406 175.800 0.081 0.000 1.104 216 F CA 1.351 59.402 58.000 0.086 0.000 1.232 216 F CB -1.061 38.024 39.000 0.141 0.000 0.987 216 F HN 0.123 nan 8.300 nan 0.000 0.475 217 E N -0.278 120.092 120.200 0.282 0.000 2.204 217 E HA -0.145 4.233 4.350 0.046 0.000 0.194 217 E C 2.245 178.915 176.600 0.117 0.000 0.989 217 E CA 1.263 57.770 56.400 0.177 0.000 0.824 217 E CB -0.260 29.538 29.700 0.164 0.000 0.756 217 E HN 0.390 nan 8.360 nan 0.000 0.477 218 S N 0.807 116.568 115.700 0.101 0.000 2.474 218 S HA -0.096 4.401 4.470 0.046 0.000 0.235 218 S C 1.571 176.213 174.600 0.069 0.000 0.997 218 S CA 0.702 58.942 58.200 0.067 0.000 0.949 218 S CB 0.057 63.285 63.200 0.046 0.000 0.766 218 S HN 0.113 nan 8.310 nan 0.000 0.517 219 E N 0.727 120.986 120.200 0.098 0.000 2.479 219 E HA 0.208 4.585 4.350 0.046 0.000 0.193 219 E C 1.377 178.020 176.600 0.071 0.000 1.049 219 E CA 0.540 56.993 56.400 0.089 0.000 0.870 219 E CB 0.061 29.836 29.700 0.125 0.000 0.944 219 E HN 0.714 nan 8.360 nan 0.000 0.492 220 G N 1.828 110.671 108.800 0.072 0.000 2.143 220 G HA2 -0.285 3.703 3.960 0.046 0.000 0.249 220 G HA3 -0.285 3.703 3.960 0.046 0.000 0.249 220 G C 0.115 175.037 174.900 0.036 0.000 0.981 220 G CA 0.397 45.526 45.100 0.047 0.000 0.665 220 G HN 0.253 nan 8.290 nan 0.000 0.528 221 L N 1.818 123.075 121.223 0.056 0.000 2.416 221 L HA 0.656 5.023 4.340 0.046 0.000 0.272 221 L C 0.987 177.848 176.870 -0.015 0.000 1.161 221 L CA 0.449 55.292 54.840 0.007 0.000 0.845 221 L CB 1.273 43.326 42.059 -0.010 0.000 1.119 221 L HN 0.335 nan 8.230 nan 0.000 0.464 222 S N 5.672 121.334 115.700 -0.062 0.000 2.531 222 S HA 0.300 4.798 4.470 0.046 0.000 0.279 222 S C -1.593 172.900 174.600 -0.179 0.000 1.305 222 S CA -0.979 57.161 58.200 -0.100 0.000 1.058 222 S CB 0.798 63.944 63.200 -0.090 0.000 0.899 222 S HN 0.633 nan 8.310 nan 0.000 0.493 223 P HA -0.112 nan 4.420 nan 0.000 0.219 223 P C 1.456 178.517 177.300 -0.399 0.000 1.146 223 P CA 1.178 63.830 63.100 -0.747 0.000 0.808 223 P CB -0.085 30.862 31.700 -1.256 0.000 0.779 224 S N -1.293 114.277 115.700 -0.217 0.000 2.537 224 S HA -0.077 4.420 4.470 0.046 0.000 0.240 224 S C 1.466 176.076 174.600 0.016 0.000 0.981 224 S CA 0.641 58.796 58.200 -0.075 0.000 0.948 224 S CB -0.666 62.499 63.200 -0.058 0.000 0.759 224 S HN 0.022 nan 8.310 nan 0.000 0.531 225 R N 0.648 121.128 120.500 -0.033 0.000 2.468 225 R HA 0.457 4.824 4.340 0.046 0.000 0.280 225 R C -0.667 175.661 176.300 0.047 0.000 0.963 225 R CA -0.077 55.993 56.100 -0.050 0.000 1.083 225 R CB 0.088 30.304 30.300 -0.140 0.000 1.200 225 R HN 0.366 nan 8.270 nan 0.000 0.541 226 V N 0.587 120.610 119.914 0.182 0.000 2.638 226 V HA 0.281 4.429 4.120 0.046 0.000 0.306 226 V C -0.531 175.730 176.094 0.279 0.000 1.052 226 V CA -1.280 61.150 62.300 0.215 0.000 0.885 226 V CB 2.624 34.562 31.823 0.192 0.000 0.999 226 V HN 0.172 nan 8.190 nan 0.000 0.424 227 C N 6.968 126.386 119.300 0.197 0.000 2.298 227 C HA 0.597 5.085 4.460 0.046 0.000 0.323 227 C C -0.125 174.881 174.990 0.027 0.000 1.284 227 C CA -0.632 58.352 59.018 -0.056 0.000 1.577 227 C CB -0.361 27.175 27.740 -0.341 0.000 2.249 227 C HN 0.707 nan 8.230 nan 0.000 0.497 228 I N 6.884 127.451 120.570 -0.006 0.000 2.294 228 I HA 0.294 4.492 4.170 0.046 0.000 0.295 228 I C 1.158 177.219 176.117 -0.093 0.000 1.098 228 I CA 0.572 61.851 61.300 -0.036 0.000 1.277 228 I CB -0.077 37.859 38.000 -0.107 0.000 1.434 228 I HN 0.903 nan 8.210 nan 0.000 0.498 229 G N 4.467 113.188 108.800 -0.132 0.000 2.535 229 G HA2 0.349 4.336 3.960 0.046 0.000 0.303 229 G HA3 0.349 4.336 3.960 0.046 0.000 0.303 229 G C 0.233 174.924 174.900 -0.349 0.000 1.237 229 G CA -0.248 44.685 45.100 -0.277 0.000 0.986 229 G HN 0.750 nan 8.290 nan 0.000 0.494 230 H N -1.222 117.619 119.070 -0.383 0.000 2.861 230 H HA -0.152 4.430 4.556 0.043 0.000 0.289 230 H C 1.871 177.051 175.328 -0.245 0.000 1.176 230 H CA 0.510 56.239 56.048 -0.532 0.000 1.146 230 H CB -1.817 27.565 29.762 -0.632 0.000 1.330 230 H HN 0.319 nan 8.280 nan 0.000 0.379 231 S N 0.084 115.745 115.700 -0.065 0.000 2.481 231 S HA -0.083 4.414 4.470 0.046 0.000 0.231 231 S C 1.702 176.324 174.600 0.037 0.000 0.996 231 S CA 0.826 59.034 58.200 0.013 0.000 0.942 231 S CB 0.099 63.282 63.200 -0.029 0.000 0.768 231 S HN 0.698 nan 8.310 nan 0.000 0.520 232 D N 0.866 121.275 120.400 0.015 0.000 2.363 232 D HA -0.071 4.597 4.640 0.046 0.000 0.226 232 D C 0.322 176.665 176.300 0.071 0.000 1.020 232 D CA 0.383 54.415 54.000 0.053 0.000 0.892 232 D CB -0.238 40.603 40.800 0.069 0.000 0.900 232 D HN 0.161 nan 8.370 nan 0.000 0.531 233 D N 0.308 120.747 120.400 0.066 0.000 2.348 233 D HA -0.041 4.627 4.640 0.046 0.000 0.216 233 D C 0.692 177.026 176.300 0.055 0.000 0.970 233 D CA 0.733 54.779 54.000 0.076 0.000 0.889 233 D CB 0.172 41.019 40.800 0.078 0.000 0.912 233 D HN 0.199 nan 8.370 nan 0.000 0.524 234 T N -0.621 113.969 114.554 0.060 0.000 2.945 234 T HA 0.165 4.542 4.350 0.046 0.000 0.286 234 T C 0.080 174.814 174.700 0.058 0.000 1.025 234 T CA -0.786 61.341 62.100 0.046 0.000 1.039 234 T CB 1.392 70.284 68.868 0.040 0.000 1.068 234 T HN -0.238 nan 8.240 nan 0.000 0.497 235 D N 1.278 121.703 120.400 0.042 0.000 2.369 235 D HA 0.078 4.745 4.640 0.046 0.000 0.211 235 D C -0.141 176.192 176.300 0.054 0.000 1.077 235 D CA 0.005 54.033 54.000 0.046 0.000 0.842 235 D CB 0.324 41.143 40.800 0.032 0.000 0.947 235 D HN 0.501 nan 8.370 nan 0.000 0.509 236 D N 1.661 122.101 120.400 0.067 0.000 2.470 236 D HA -0.017 4.650 4.640 0.046 0.000 0.226 236 D C 1.200 177.577 176.300 0.127 0.000 1.196 236 D CA -0.323 53.727 54.000 0.084 0.000 0.979 236 D CB 0.619 41.454 40.800 0.058 0.000 1.059 236 D HN -0.073 nan 8.370 nan 0.000 0.515 237 L N 3.393 124.664 121.223 0.080 0.000 2.141 237 L HA -0.096 4.271 4.340 0.046 0.000 0.209 237 L C 2.167 179.063 176.870 0.043 0.000 1.094 237 L CA 1.387 56.261 54.840 0.057 0.000 0.763 237 L CB -0.621 41.468 42.059 0.050 0.000 0.908 237 L HN 0.362 nan 8.230 nan 0.000 0.437 238 S N -1.662 114.074 115.700 0.060 0.000 2.368 238 S HA -0.284 4.214 4.470 0.046 0.000 0.225 238 S C 2.130 176.765 174.600 0.058 0.000 1.030 238 S CA 1.401 59.630 58.200 0.049 0.000 0.999 238 S CB -0.598 62.635 63.200 0.055 0.000 0.844 238 S HN 0.638 nan 8.310 nan 0.000 0.459 239 Y N 2.042 122.320 120.300 -0.036 0.000 2.128 239 Y HA -0.083 4.494 4.550 0.045 0.000 0.284 239 Y C 1.841 177.697 175.900 -0.075 0.000 1.154 239 Y CA 1.867 59.938 58.100 -0.049 0.000 1.149 239 Y CB -0.601 37.834 38.460 -0.042 0.000 0.976 239 Y HN 0.267 nan 8.280 nan 0.000 0.505 240 L N -0.177 120.914 121.223 -0.221 0.000 2.027 240 L HA -0.190 4.178 4.340 0.046 0.000 0.206 240 L C 2.656 179.315 176.870 -0.352 0.000 1.074 240 L CA 1.981 56.607 54.840 -0.357 0.000 0.745 240 L CB -1.263 40.700 42.059 -0.160 0.000 0.898 240 L HN 0.405 nan 8.230 nan 0.000 0.433 241 T N -2.447 111.934 114.554 -0.287 0.000 2.867 241 T HA -0.078 4.300 4.350 0.046 0.000 0.268 241 T C 1.937 176.386 174.700 -0.419 0.000 1.057 241 T CA 0.882 62.687 62.100 -0.492 0.000 1.136 241 T CB -0.310 68.412 68.868 -0.243 0.000 0.874 241 T HN 0.299 nan 8.240 nan 0.000 0.466 242 A N 1.595 124.287 122.820 -0.214 0.000 1.930 242 A HA 0.207 4.555 4.320 0.046 0.000 0.217 242 A C 2.422 179.929 177.584 -0.128 0.000 1.175 242 A CA 1.136 53.099 52.037 -0.122 0.000 0.627 242 A CB -0.852 18.118 19.000 -0.050 0.000 0.815 242 A HN 0.529 nan 8.150 nan 0.000 0.443 243 L N -0.796 120.300 121.223 -0.211 0.000 2.056 243 L HA -0.179 4.188 4.340 0.046 0.000 0.207 243 L C 3.109 179.965 176.870 -0.024 0.000 1.078 243 L CA 1.043 55.809 54.840 -0.125 0.000 0.749 243 L CB -0.537 41.325 42.059 -0.329 0.000 0.901 243 L HN 0.431 nan 8.230 nan 0.000 0.433 244 A N 0.057 122.740 122.820 -0.230 0.000 1.902 244 A HA -0.184 4.164 4.320 0.046 0.000 0.217 244 A C 2.484 180.004 177.584 -0.107 0.000 1.181 244 A CA 1.743 53.637 52.037 -0.238 0.000 0.623 244 A CB -0.711 17.941 19.000 -0.580 0.000 0.818 244 A HN 0.406 nan 8.150 nan 0.000 0.443 245 A N -0.488 122.247 122.820 -0.142 0.000 2.067 245 A HA -0.100 4.248 4.320 0.046 0.000 0.219 245 A C 2.118 179.747 177.584 0.075 0.000 1.158 245 A CA 1.318 53.422 52.037 0.111 0.000 0.661 245 A CB -0.381 18.697 19.000 0.130 0.000 0.801 245 A HN 0.543 nan 8.150 nan 0.000 0.452 246 R N -1.559 118.978 120.500 0.061 0.000 2.307 246 R HA 0.161 4.529 4.340 0.046 0.000 0.199 246 R C 1.306 177.574 176.300 -0.053 0.000 1.000 246 R CA 0.612 56.751 56.100 0.064 0.000 1.023 246 R CB -0.051 30.365 30.300 0.193 0.000 0.908 246 R HN 0.678 nan 8.270 nan 0.000 0.473 247 G N -0.788 107.979 108.800 -0.056 0.000 2.179 247 G HA2 -0.271 3.717 3.960 0.046 0.000 0.220 247 G HA3 -0.271 3.717 3.960 0.046 0.000 0.220 247 G C -0.228 174.540 174.900 -0.219 0.000 0.990 247 G CA -0.548 44.474 45.100 -0.130 0.000 0.646 247 G HN 0.204 nan 8.290 nan 0.000 0.517 248 Y N 0.500 120.782 120.300 -0.030 0.000 2.457 248 Y HA 0.491 5.068 4.550 0.045 0.000 0.341 248 Y C 1.280 177.132 175.900 -0.079 0.000 1.240 248 Y CA -0.506 57.569 58.100 -0.042 0.000 1.437 248 Y CB 0.471 38.895 38.460 -0.061 0.000 1.328 248 Y HN 0.008 nan 8.280 nan 0.000 0.588 249 L N 4.210 125.459 121.223 0.043 0.000 2.350 249 L HA 0.226 4.594 4.340 0.046 0.000 0.275 249 L C -0.289 176.524 176.870 -0.095 0.000 1.099 249 L CA -0.380 54.397 54.840 -0.105 0.000 0.808 249 L CB 0.816 42.662 42.059 -0.355 0.000 1.149 249 L HN 0.481 nan 8.230 nan 0.000 0.442 250 I N 2.327 122.824 120.570 -0.122 0.000 2.354 250 I HA 0.275 4.473 4.170 0.046 0.000 0.286 250 I C 0.752 176.793 176.117 -0.126 0.000 1.007 250 I CA -0.417 60.811 61.300 -0.121 0.000 1.167 250 I CB 1.181 39.110 38.000 -0.118 0.000 1.320 250 I HN 0.564 nan 8.210 nan 0.000 0.458 251 G N 7.437 116.157 108.800 -0.133 0.000 2.448 251 G HA2 0.494 4.481 3.960 0.046 0.000 0.309 251 G HA3 0.494 4.481 3.960 0.046 0.000 0.309 251 G C -0.083 174.754 174.900 -0.104 0.000 1.027 251 G CA -0.387 44.634 45.100 -0.131 0.000 1.104 251 G HN 0.553 nan 8.290 nan 0.000 0.428 252 L N 3.338 124.525 121.223 -0.061 0.000 2.397 252 L HA 0.254 4.621 4.340 0.046 0.000 0.263 252 L C 0.194 177.064 176.870 0.000 0.000 1.136 252 L CA -0.548 54.281 54.840 -0.019 0.000 1.019 252 L CB 0.671 42.742 42.059 0.019 0.000 1.352 252 L HN 0.684 nan 8.230 nan 0.000 0.420 253 D N -2.573 117.792 120.400 -0.059 0.000 2.469 253 D HA -0.030 4.637 4.640 0.046 0.000 0.213 253 D C 1.005 177.291 176.300 -0.023 0.000 1.135 253 D CA 0.083 54.050 54.000 -0.055 0.000 0.834 253 D CB 0.101 40.797 40.800 -0.174 0.000 1.009 253 D HN 0.414 nan 8.370 nan 0.000 0.507 254 H N 0.323 119.310 119.070 -0.138 0.000 2.486 254 H HA 0.232 4.815 4.556 0.044 0.000 0.284 254 H C 1.127 176.450 175.328 -0.008 0.000 1.103 254 H CA -0.474 55.377 56.048 -0.327 0.000 1.089 254 H CB 0.713 30.176 29.762 -0.499 0.000 1.603 254 H HN -0.002 nan 8.280 nan 0.000 0.557 255 I N 1.852 122.564 120.570 0.236 0.000 2.208 255 I HA -0.160 4.037 4.170 0.046 0.000 0.245 255 I C -0.707 175.572 176.117 0.271 0.000 1.097 255 I CA 1.100 62.589 61.300 0.315 0.000 1.363 255 I CB -1.996 36.251 38.000 0.411 0.000 1.051 255 I HN 0.277 nan 8.210 nan 0.000 0.413 256 P HA -0.085 nan 4.420 nan 0.000 0.249 256 P C -0.012 177.278 177.300 -0.017 0.000 1.229 256 P CA 0.322 63.101 63.100 -0.535 0.000 0.788 256 P CB -0.299 30.690 31.700 -1.185 0.000 1.072 257 Y N 1.007 121.282 120.300 -0.042 0.000 2.584 257 Y HA 0.391 4.966 4.550 0.043 0.000 0.351 257 Y C 1.041 176.938 175.900 -0.004 0.000 1.030 257 Y CA 0.037 58.112 58.100 -0.041 0.000 1.332 257 Y CB 0.163 38.518 38.460 -0.174 0.000 1.148 257 Y HN -0.114 nan 8.280 nan 0.000 0.528 258 S N 1.663 117.405 115.700 0.070 0.000 2.548 258 S HA 0.660 5.157 4.470 0.046 0.000 0.278 258 S C -0.176 174.440 174.600 0.026 0.000 1.150 258 S CA -0.163 58.078 58.200 0.070 0.000 0.907 258 S CB 0.774 64.042 63.200 0.114 0.000 1.108 258 S HN 0.630 nan 8.310 nan 0.000 0.459 259 A N 4.490 127.323 122.820 0.022 0.000 2.379 259 A HA 0.439 4.787 4.320 0.046 0.000 0.236 259 A C 0.504 178.100 177.584 0.020 0.000 1.272 259 A CA -0.270 51.773 52.037 0.010 0.000 0.886 259 A CB -0.572 18.430 19.000 0.004 0.000 0.962 259 A HN 0.799 nan 8.150 nan 0.000 0.504 260 I N 0.400 120.989 120.570 0.032 0.000 2.741 260 I HA 0.150 4.347 4.170 0.046 0.000 0.288 260 I C 1.565 177.702 176.117 0.032 0.000 1.192 260 I CA 1.594 62.914 61.300 0.033 0.000 1.426 260 I CB 0.218 38.243 38.000 0.042 0.000 1.367 260 I HN 0.490 nan 8.210 nan 0.000 0.563 261 G N 5.548 114.362 108.800 0.024 0.000 2.195 261 G HA2 -0.262 3.725 3.960 0.046 0.000 0.246 261 G HA3 -0.262 3.725 3.960 0.046 0.000 0.246 261 G C 0.374 175.281 174.900 0.012 0.000 0.984 261 G CA 0.258 45.370 45.100 0.021 0.000 0.633 261 G HN 0.753 nan 8.290 nan 0.000 0.525 262 L N -3.578 117.650 121.223 0.008 0.000 3.313 262 L HA 0.722 5.090 4.340 0.046 0.000 0.339 262 L C 0.960 177.829 176.870 -0.001 0.000 1.309 262 L CA -0.244 54.596 54.840 -0.000 0.000 0.867 262 L CB 0.361 42.417 42.059 -0.005 0.000 1.316 262 L HN -0.064 nan 8.230 nan 0.000 0.604 263 E N 0.315 120.516 120.200 0.002 0.000 2.204 263 E HA -0.129 4.249 4.350 0.046 0.000 0.195 263 E C 0.666 177.265 176.600 -0.001 0.000 0.990 263 E CA 1.305 57.707 56.400 0.003 0.000 0.821 263 E CB 0.041 29.744 29.700 0.005 0.000 0.750 263 E HN 0.502 nan 8.360 nan 0.000 0.477 264 D N -0.037 120.360 120.400 -0.005 0.000 2.342 264 D HA -0.011 4.656 4.640 0.046 0.000 0.221 264 D C -0.206 176.086 176.300 -0.014 0.000 1.101 264 D CA 0.044 54.039 54.000 -0.008 0.000 0.837 264 D CB -0.220 40.575 40.800 -0.008 0.000 0.938 264 D HN -0.010 nan 8.370 nan 0.000 0.508 265 N N 1.035 119.725 118.700 -0.015 0.000 2.415 265 N HA 0.112 4.879 4.740 0.046 0.000 0.250 265 N C 0.896 176.395 175.510 -0.019 0.000 1.127 265 N CA -0.109 52.926 53.050 -0.024 0.000 0.945 265 N CB 1.100 39.571 38.487 -0.027 0.000 1.196 265 N HN -0.077 nan 8.380 nan 0.000 0.499 266 A N 3.073 125.879 122.820 -0.023 0.000 1.902 266 A HA -0.163 4.184 4.320 0.046 0.000 0.217 266 A C 2.178 179.765 177.584 0.006 0.000 1.181 266 A CA 1.963 53.993 52.037 -0.011 0.000 0.623 266 A CB -0.691 18.298 19.000 -0.019 0.000 0.818 266 A HN 0.757 nan 8.150 nan 0.000 0.443 267 S N 0.178 115.864 115.700 -0.024 0.000 2.368 267 S HA 0.059 4.556 4.470 0.046 0.000 0.224 267 S C 2.110 176.787 174.600 0.128 0.000 1.029 267 S CA 1.300 59.505 58.200 0.009 0.000 0.988 267 S CB -0.677 62.384 63.200 -0.231 0.000 0.838 267 S HN 0.864 nan 8.310 nan 0.000 0.462 268 A N 2.378 125.221 122.820 0.039 0.000 1.898 268 A HA -0.001 4.347 4.320 0.046 0.000 0.216 268 A C 2.531 180.126 177.584 0.019 0.000 1.181 268 A CA 1.946 53.998 52.037 0.025 0.000 0.620 268 A CB -1.216 17.771 19.000 -0.022 0.000 0.819 268 A HN 0.819 nan 8.150 nan 0.000 0.442 269 S N 0.136 115.847 115.700 0.018 0.000 2.402 269 S HA 0.106 4.604 4.470 0.046 0.000 0.229 269 S C 2.051 176.667 174.600 0.028 0.000 1.021 269 S CA 1.114 59.324 58.200 0.017 0.000 0.974 269 S CB -0.563 62.644 63.200 0.012 0.000 0.800 269 S HN 0.819 nan 8.310 nan 0.000 0.484 270 A N 1.771 124.620 122.820 0.049 0.000 1.902 270 A HA 0.108 4.456 4.320 0.046 0.000 0.217 270 A C 2.213 179.811 177.584 0.023 0.000 1.181 270 A CA 1.505 53.572 52.037 0.049 0.000 0.623 270 A CB -0.770 18.284 19.000 0.089 0.000 0.818 270 A HN 0.514 nan 8.150 nan 0.000 0.443 271 L N -0.859 120.371 121.223 0.013 0.000 2.072 271 L HA 0.061 4.428 4.340 0.046 0.000 0.205 271 L C 2.033 178.905 176.870 0.002 0.000 1.079 271 L CA 1.643 56.450 54.840 -0.055 0.000 0.752 271 L CB -0.183 41.803 42.059 -0.121 0.000 0.906 271 L HN 0.357 nan 8.230 nan 0.000 0.436 272 L N -1.065 120.152 121.223 -0.009 0.000 2.463 272 L HA 0.404 4.771 4.340 0.046 0.000 0.219 272 L C 1.177 178.085 176.870 0.063 0.000 1.088 272 L CA 0.193 55.040 54.840 0.012 0.000 0.849 272 L CB -0.665 41.347 42.059 -0.077 0.000 1.012 272 L HN 0.425 nan 8.230 nan 0.000 0.468 273 G N 1.518 110.342 108.800 0.040 0.000 2.855 273 G HA2 -0.264 3.724 3.960 0.046 0.000 0.352 273 G HA3 -0.264 3.724 3.960 0.046 0.000 0.352 273 G C -0.089 174.834 174.900 0.039 0.000 1.415 273 G CA -0.029 45.096 45.100 0.042 0.000 0.871 273 G HN 0.228 nan 8.290 nan 0.000 0.543 274 I N -2.477 118.113 120.570 0.034 0.000 4.081 274 I HA 0.460 4.658 4.170 0.046 0.000 0.333 274 I C 1.008 177.143 176.117 0.030 0.000 1.413 274 I CA -1.054 60.264 61.300 0.029 0.000 1.110 274 I CB -0.048 37.964 38.000 0.019 0.000 1.082 274 I HN 0.479 nan 8.210 nan 0.000 0.402 275 R N 2.055 122.578 120.500 0.038 0.000 2.543 275 R HA 0.437 4.804 4.340 0.046 0.000 0.277 275 R C 0.725 177.050 176.300 0.042 0.000 1.074 275 R CA 0.239 56.360 56.100 0.034 0.000 1.076 275 R CB 0.586 30.911 30.300 0.042 0.000 0.993 275 R HN 0.529 nan 8.270 nan 0.000 0.459 276 S N 2.869 118.572 115.700 0.005 0.000 2.593 276 S HA 0.023 4.520 4.470 0.046 0.000 0.269 276 S C 1.367 175.979 174.600 0.020 0.000 1.334 276 S CA -0.884 57.303 58.200 -0.022 0.000 1.015 276 S CB 0.520 63.631 63.200 -0.148 0.000 0.912 276 S HN 0.913 nan 8.310 nan 0.000 0.541 277 W N 1.339 122.643 121.300 0.007 0.000 2.374 277 W HA -0.164 4.523 4.660 0.046 0.000 0.288 277 W C 1.091 177.569 176.519 -0.067 0.000 1.218 277 W CA 1.130 58.490 57.345 0.025 0.000 1.245 277 W CB -1.133 28.391 29.460 0.108 0.000 1.126 277 W HN 0.659 nan 8.180 nan 0.000 0.545 278 Q N 1.221 120.475 119.800 -0.911 0.000 2.084 278 Q HA -0.122 4.246 4.340 0.046 0.000 0.202 278 Q C 2.369 178.183 176.000 -0.309 0.000 0.978 278 Q CA 3.267 58.461 55.803 -1.016 0.000 0.844 278 Q CB -1.003 27.115 28.738 -1.033 0.000 0.898 278 Q HN 0.144 nan 8.270 nan 0.000 0.426 279 T N 0.494 114.946 114.554 -0.170 0.000 2.720 279 T HA -0.157 4.220 4.350 0.046 0.000 0.268 279 T C 1.677 176.396 174.700 0.032 0.000 1.037 279 T CA 1.441 63.523 62.100 -0.031 0.000 1.144 279 T CB -0.146 68.712 68.868 -0.017 0.000 0.864 279 T HN 0.244 nan 8.240 nan 0.000 0.444 280 R N 0.963 121.499 120.500 0.059 0.000 2.073 280 R HA 0.041 4.409 4.340 0.046 0.000 0.234 280 R C 2.829 179.212 176.300 0.138 0.000 1.134 280 R CA 1.306 57.476 56.100 0.116 0.000 0.952 280 R CB -0.498 29.904 30.300 0.170 0.000 0.850 280 R HN 0.348 nan 8.270 nan 0.000 0.433 281 A N 1.209 124.120 122.820 0.152 0.000 1.972 281 A HA -0.109 4.238 4.320 0.046 0.000 0.219 281 A C 2.121 179.852 177.584 0.246 0.000 1.169 281 A CA 1.113 53.273 52.037 0.206 0.000 0.635 281 A CB -0.489 18.612 19.000 0.169 0.000 0.810 281 A HN 0.195 nan 8.150 nan 0.000 0.446 282 L N -0.576 120.780 121.223 0.223 0.000 2.362 282 L HA -0.115 4.252 4.340 0.046 0.000 0.219 282 L C 2.214 179.165 176.870 0.134 0.000 1.134 282 L CA 0.424 55.389 54.840 0.209 0.000 0.807 282 L CB -0.380 41.782 42.059 0.172 0.000 0.927 282 L HN 0.391 nan 8.230 nan 0.000 0.447 283 L N -0.591 120.701 121.223 0.115 0.000 2.141 283 L HA -0.199 4.169 4.340 0.046 0.000 0.209 283 L C 2.374 179.298 176.870 0.089 0.000 1.094 283 L CA 1.098 55.992 54.840 0.090 0.000 0.763 283 L CB -0.351 41.755 42.059 0.078 0.000 0.908 283 L HN 0.230 nan 8.230 nan 0.000 0.437 284 I N -0.018 120.617 120.570 0.108 0.000 2.179 284 I HA -0.336 3.861 4.170 0.046 0.000 0.242 284 I C 2.694 178.866 176.117 0.091 0.000 1.088 284 I CA 1.478 62.837 61.300 0.097 0.000 1.357 284 I CB -0.406 37.663 38.000 0.116 0.000 1.051 284 I HN 0.215 nan 8.210 nan 0.000 0.409 285 K N 1.332 121.795 120.400 0.106 0.000 2.063 285 K HA -0.215 4.133 4.320 0.046 0.000 0.208 285 K C 2.233 178.872 176.600 0.066 0.000 1.048 285 K CA 1.621 57.954 56.287 0.077 0.000 0.928 285 K CB -0.153 32.390 32.500 0.072 0.000 0.713 285 K HN 0.321 nan 8.250 nan 0.000 0.442 286 A N 1.184 124.049 122.820 0.074 0.000 1.902 286 A HA -0.129 4.218 4.320 0.046 0.000 0.217 286 A C 2.112 179.750 177.584 0.090 0.000 1.181 286 A CA 1.324 53.404 52.037 0.071 0.000 0.623 286 A CB -0.588 18.454 19.000 0.069 0.000 0.818 286 A HN 0.327 nan 8.150 nan 0.000 0.443 287 L N -0.662 120.620 121.223 0.097 0.000 2.093 287 L HA -0.155 4.213 4.340 0.046 0.000 0.208 287 L C 2.455 179.412 176.870 0.146 0.000 1.085 287 L CA 1.023 55.950 54.840 0.146 0.000 0.755 287 L CB -0.481 41.641 42.059 0.105 0.000 0.904 287 L HN 0.383 nan 8.230 nan 0.000 0.435 288 I N -0.113 120.507 120.570 0.084 0.000 2.163 288 I HA -0.315 3.883 4.170 0.046 0.000 0.243 288 I C 2.022 178.154 176.117 0.024 0.000 1.085 288 I CA 1.327 62.655 61.300 0.047 0.000 1.347 288 I CB -0.368 37.653 38.000 0.033 0.000 1.044 288 I HN 0.256 nan 8.210 nan 0.000 0.408 289 D N 0.359 120.779 120.400 0.033 0.000 2.219 289 D HA -0.158 4.510 4.640 0.046 0.000 0.205 289 D C 1.870 178.174 176.300 0.007 0.000 0.970 289 D CA 1.067 55.076 54.000 0.015 0.000 0.851 289 D CB -0.135 40.678 40.800 0.023 0.000 0.943 289 D HN 0.472 nan 8.370 nan 0.000 0.488 290 Q N -0.806 119.017 119.800 0.038 0.000 2.320 290 Q HA 0.282 4.650 4.340 0.046 0.000 0.201 290 Q C 0.799 176.675 176.000 -0.207 0.000 0.910 290 Q CA 0.291 56.106 55.803 0.020 0.000 0.946 290 Q CB 1.018 29.870 28.738 0.190 0.000 1.062 290 Q HN 0.256 nan 8.270 nan 0.000 0.503 291 G N 0.411 109.087 108.800 -0.207 0.000 2.159 291 G HA2 -0.283 3.704 3.960 0.046 0.000 0.227 291 G HA3 -0.283 3.704 3.960 0.046 0.000 0.227 291 G C 0.073 174.727 174.900 -0.411 0.000 0.986 291 G CA -0.320 44.581 45.100 -0.332 0.000 0.651 291 G HN 0.461 nan 8.290 nan 0.000 0.523 292 Y N 0.668 120.962 120.300 -0.010 0.000 2.625 292 Y HA 0.325 4.903 4.550 0.046 0.000 0.285 292 Y C 2.593 178.481 175.900 -0.020 0.000 1.168 292 Y CA 0.341 58.432 58.100 -0.015 0.000 1.250 292 Y CB -0.200 38.251 38.460 -0.015 0.000 1.130 292 Y HN 0.488 nan 8.280 nan 0.000 0.526 293 M N -0.879 118.753 119.600 0.053 0.000 2.144 293 M HA -0.229 4.278 4.480 0.046 0.000 0.260 293 M C 1.400 177.713 176.300 0.022 0.000 1.067 293 M CA 1.922 57.241 55.300 0.031 0.000 1.095 293 M CB -0.353 32.248 32.600 0.002 0.000 1.365 293 M HN 0.035 nan 8.290 nan 0.000 0.406 294 K N 0.088 120.502 120.400 0.023 0.000 2.362 294 K HA -0.042 4.306 4.320 0.046 0.000 0.200 294 K C 1.630 178.239 176.600 0.014 0.000 1.046 294 K CA 0.763 57.058 56.287 0.012 0.000 0.952 294 K CB 0.003 32.508 32.500 0.009 0.000 0.753 294 K HN 0.526 nan 8.250 nan 0.000 0.466 295 Q N 0.033 119.858 119.800 0.042 0.000 2.319 295 Q HA 0.181 4.549 4.340 0.046 0.000 0.202 295 Q C 0.414 176.393 176.000 -0.035 0.000 0.896 295 Q CA 0.305 56.117 55.803 0.015 0.000 0.942 295 Q CB 0.434 29.206 28.738 0.057 0.000 1.083 295 Q HN 0.308 nan 8.270 nan 0.000 0.510 296 I N 1.509 122.061 120.570 -0.029 0.000 2.353 296 I HA 0.251 4.448 4.170 0.046 0.000 0.293 296 I C -0.319 175.745 176.117 -0.088 0.000 0.992 296 I CA -0.477 60.794 61.300 -0.048 0.000 1.268 296 I CB 1.010 39.004 38.000 -0.010 0.000 1.387 296 I HN -0.148 nan 8.210 nan 0.000 0.478 297 L N 6.802 127.957 121.223 -0.115 0.000 2.362 297 L HA 0.609 4.977 4.340 0.046 0.000 0.275 297 L C -0.730 176.101 176.870 -0.066 0.000 0.998 297 L CA -0.864 53.903 54.840 -0.122 0.000 0.820 297 L CB 2.135 44.066 42.059 -0.214 0.000 1.270 297 L HN 0.267 nan 8.230 nan 0.000 0.415 298 V N 1.750 121.644 119.914 -0.032 0.000 2.581 298 V HA 0.776 4.923 4.120 0.046 0.000 0.303 298 V C -0.171 175.963 176.094 0.066 0.000 1.041 298 V CA -0.201 62.112 62.300 0.022 0.000 0.907 298 V CB 1.932 33.775 31.823 0.033 0.000 0.994 298 V HN 0.971 nan 8.190 nan 0.000 0.442 299 S N 2.415 118.179 115.700 0.107 0.000 2.703 299 S HA 0.434 4.932 4.470 0.046 0.000 0.273 299 S C 0.127 174.850 174.600 0.205 0.000 1.178 299 S CA -0.886 57.411 58.200 0.162 0.000 0.838 299 S CB 1.565 64.864 63.200 0.164 0.000 1.178 299 S HN 0.663 nan 8.310 nan 0.000 0.494 300 N N 0.520 119.375 118.700 0.259 0.000 2.348 300 N HA 0.083 4.850 4.740 0.046 0.000 0.183 300 N C -0.634 175.156 175.510 0.467 0.000 1.094 300 N CA 0.368 53.620 53.050 0.337 0.000 0.885 300 N CB 0.001 38.676 38.487 0.313 0.000 1.065 300 N HN 0.789 nan 8.380 nan 0.000 0.472 301 D N 0.239 120.881 120.400 0.404 0.000 2.708 301 D HA -0.190 4.478 4.640 0.046 0.000 0.236 301 D C -0.456 176.181 176.300 0.560 0.000 1.146 301 D CA 0.377 54.669 54.000 0.487 0.000 0.662 301 D CB -1.073 39.922 40.800 0.324 0.000 1.059 301 D HN 0.377 nan 8.370 nan 0.000 0.428 302 W N -0.551 120.867 121.300 0.197 0.000 2.166 302 W HA 0.513 5.204 4.660 0.053 0.000 0.364 302 W C 0.797 177.263 176.519 -0.087 0.000 1.344 302 W CA 0.023 57.387 57.345 0.031 0.000 1.471 302 W CB 1.527 30.939 29.460 -0.079 0.000 1.220 302 W HN 0.082 nan 8.180 nan 0.000 0.666 303 T N 0.370 114.542 114.554 -0.638 0.000 2.749 303 T HA 0.342 4.719 4.350 0.046 0.000 0.310 303 T C -0.396 173.869 174.700 -0.725 0.000 1.496 303 T CA -0.476 61.276 62.100 -0.579 0.000 1.006 303 T CB 0.619 69.218 68.868 -0.449 0.000 1.457 303 T HN 0.187 nan 8.240 nan 0.000 0.497 304 F N 0.678 120.648 119.950 0.033 0.000 2.727 304 F HA 0.549 5.103 4.527 0.044 0.000 0.302 304 F C 1.370 177.229 175.800 0.099 0.000 1.107 304 F CA -0.102 57.948 58.000 0.082 0.000 1.277 304 F CB 0.962 40.016 39.000 0.090 0.000 1.079 304 F HN 0.631 nan 8.300 nan 0.000 0.594 305 G N -0.560 108.366 108.800 0.210 0.000 2.659 305 G HA2 0.539 4.526 3.960 0.046 0.000 0.296 305 G HA3 0.539 4.526 3.960 0.046 0.000 0.296 305 G C -2.174 172.945 174.900 0.364 0.000 1.369 305 G CA -0.473 44.839 45.100 0.354 0.000 0.937 305 G HN -0.167 nan 8.290 nan 0.000 0.485 306 F N 1.731 121.879 119.950 0.331 0.000 2.991 306 F HA 0.439 4.990 4.527 0.039 0.000 0.355 306 F C 0.603 176.500 175.800 0.162 0.000 1.262 306 F CA -1.443 56.636 58.000 0.133 0.000 1.127 306 F CB 1.827 40.822 39.000 -0.009 0.000 1.447 306 F HN 0.511 nan 8.300 nan 0.000 0.584 307 S N 0.593 116.491 115.700 0.330 0.000 2.578 307 S HA 0.054 4.552 4.470 0.046 0.000 0.228 307 S C 1.140 175.525 174.600 -0.358 0.000 1.022 307 S CA 0.549 58.542 58.200 -0.345 0.000 0.967 307 S CB -0.062 62.505 63.200 -1.054 0.000 0.914 307 S HN 0.488 nan 8.310 nan 0.000 0.515 308 S N -0.133 115.595 115.700 0.046 0.000 2.671 308 S HA 0.348 4.846 4.470 0.046 0.000 0.220 308 S C 0.000 174.728 174.600 0.213 0.000 0.951 308 S CA -0.425 57.821 58.200 0.077 0.000 0.932 308 S CB -0.495 62.817 63.200 0.187 0.000 0.777 308 S HN 0.597 nan 8.310 nan 0.000 0.508 309 Y N 1.093 121.339 120.300 -0.091 0.000 3.265 309 Y HA 0.571 5.145 4.550 0.040 0.000 0.285 309 Y C -0.309 175.470 175.900 -0.203 0.000 1.889 309 Y CA -1.553 56.439 58.100 -0.180 0.000 1.021 309 Y CB 0.642 38.892 38.460 -0.350 0.000 1.513 309 Y HN 0.099 nan 8.280 nan 0.000 0.543 310 V N 0.647 120.204 119.914 -0.595 0.000 2.843 310 V HA 0.161 4.308 4.120 0.046 0.000 0.305 310 V C 0.871 176.825 176.094 -0.232 0.000 1.065 310 V CA 0.536 62.577 62.300 -0.432 0.000 1.116 310 V CB 0.484 31.980 31.823 -0.545 0.000 0.968 310 V HN 0.875 nan 8.190 nan 0.000 0.487 311 T N 3.144 117.621 114.554 -0.129 0.000 2.699 311 T HA -0.166 4.212 4.350 0.046 0.000 0.268 311 T C 1.322 175.942 174.700 -0.132 0.000 1.036 311 T CA 2.438 64.515 62.100 -0.038 0.000 1.147 311 T CB -0.502 68.316 68.868 -0.084 0.000 0.862 311 T HN 1.047 nan 8.240 nan 0.000 0.446 312 N N 0.842 119.444 118.700 -0.164 0.000 2.321 312 N HA 0.098 4.866 4.740 0.046 0.000 0.242 312 N C 1.131 176.551 175.510 -0.150 0.000 1.141 312 N CA -0.196 52.761 53.050 -0.155 0.000 0.864 312 N CB -0.414 37.993 38.487 -0.133 0.000 1.100 312 N HN 0.227 nan 8.380 nan 0.000 0.510 313 I N 0.572 121.015 120.570 -0.212 0.000 2.335 313 I HA -0.143 4.054 4.170 0.046 0.000 0.251 313 I C 2.129 178.134 176.117 -0.186 0.000 1.129 313 I CA 0.939 62.088 61.300 -0.252 0.000 1.402 313 I CB -0.085 37.647 38.000 -0.448 0.000 1.069 313 I HN 0.189 nan 8.210 nan 0.000 0.424 314 M N 0.365 119.899 119.600 -0.110 0.000 2.149 314 M HA -0.230 4.277 4.480 0.046 0.000 0.261 314 M C 1.644 177.940 176.300 -0.008 0.000 1.064 314 M CA 1.906 57.196 55.300 -0.016 0.000 1.102 314 M CB -0.588 32.063 32.600 0.086 0.000 1.369 314 M HN 0.223 nan 8.290 nan 0.000 0.408 315 D N -0.748 119.640 120.400 -0.020 0.000 2.117 315 D HA -0.115 4.553 4.640 0.046 0.000 0.198 315 D C 2.149 178.449 176.300 0.001 0.000 0.982 315 D CA 1.506 55.507 54.000 0.001 0.000 0.828 315 D CB -0.518 40.268 40.800 -0.023 0.000 0.967 315 D HN 0.293 nan 8.370 nan 0.000 0.464 316 V N 1.106 120.998 119.914 -0.037 0.000 2.295 316 V HA -0.252 3.895 4.120 0.046 0.000 0.246 316 V C 2.553 178.640 176.094 -0.011 0.000 1.049 316 V CA 1.399 63.678 62.300 -0.034 0.000 1.024 316 V CB -0.447 31.337 31.823 -0.066 0.000 0.648 316 V HN 0.185 nan 8.190 nan 0.000 0.447 317 M N -0.294 119.282 119.600 -0.039 0.000 2.108 317 M HA -0.207 4.301 4.480 0.046 0.000 0.261 317 M C 1.961 178.424 176.300 0.272 0.000 1.066 317 M CA 1.881 57.184 55.300 0.004 0.000 1.107 317 M CB -0.639 31.777 32.600 -0.307 0.000 1.356 317 M HN 0.315 nan 8.290 nan 0.000 0.406 318 D N -0.242 120.297 120.400 0.231 0.000 2.178 318 D HA -0.142 4.525 4.640 0.046 0.000 0.201 318 D C 2.013 178.402 176.300 0.149 0.000 0.980 318 D CA 0.833 54.999 54.000 0.277 0.000 0.842 318 D CB -0.438 40.491 40.800 0.215 0.000 0.948 318 D HN 0.253 nan 8.370 nan 0.000 0.472 319 R N 1.182 121.736 120.500 0.092 0.000 2.092 319 R HA -0.075 4.292 4.340 0.046 0.000 0.231 319 R C 1.863 178.186 176.300 0.039 0.000 1.119 319 R CA 0.743 56.873 56.100 0.050 0.000 0.970 319 R CB -0.527 29.790 30.300 0.028 0.000 0.864 319 R HN 0.074 nan 8.270 nan 0.000 0.440 320 V N 1.291 121.235 119.914 0.050 0.000 2.379 320 V HA -0.143 4.005 4.120 0.046 0.000 0.245 320 V C 0.896 176.964 176.094 -0.043 0.000 1.044 320 V CA 1.720 64.030 62.300 0.017 0.000 1.036 320 V CB -0.569 31.265 31.823 0.017 0.000 0.664 320 V HN 0.364 nan 8.190 nan 0.000 0.453 321 N N -0.396 118.275 118.700 -0.048 0.000 2.762 321 N HA 0.277 5.044 4.740 0.046 0.000 0.252 321 N C -2.244 173.150 175.510 -0.194 0.000 1.269 321 N CA -1.703 51.180 53.050 -0.278 0.000 0.799 321 N CB 1.664 39.707 38.487 -0.740 0.000 1.173 321 N HN -0.001 nan 8.380 nan 0.000 0.516 322 P HA -0.022 nan 4.420 nan 0.000 0.222 322 P C 0.292 177.553 177.300 -0.065 0.000 1.147 322 P CA 0.892 63.976 63.100 -0.026 0.000 0.790 322 P CB 0.367 32.064 31.700 -0.005 0.000 0.780 323 D N -1.048 119.275 120.400 -0.127 0.000 2.348 323 D HA -0.002 4.666 4.640 0.046 0.000 0.216 323 D C 1.641 177.816 176.300 -0.209 0.000 0.970 323 D CA 1.227 55.156 54.000 -0.118 0.000 0.889 323 D CB -0.276 40.483 40.800 -0.067 0.000 0.912 323 D HN 0.095 nan 8.370 nan 0.000 0.524 324 G N 1.661 110.169 108.800 -0.487 0.000 2.611 324 G HA2 -0.404 3.584 3.960 0.046 0.000 0.301 324 G HA3 -0.404 3.584 3.960 0.046 0.000 0.301 324 G C 1.032 175.542 174.900 -0.652 0.000 1.233 324 G CA 0.549 45.142 45.100 -0.843 0.000 0.993 324 G HN 0.255 nan 8.290 nan 0.000 0.553 325 M N 1.195 120.678 119.600 -0.194 0.000 2.460 325 M HA 0.096 4.604 4.480 0.046 0.000 0.263 325 M C 2.703 179.005 176.300 0.003 0.000 1.071 325 M CA 1.548 56.853 55.300 0.008 0.000 1.096 325 M CB -0.184 32.522 32.600 0.177 0.000 1.408 325 M HN 0.697 nan 8.290 nan 0.000 0.463 326 A N -0.538 122.257 122.820 -0.041 0.000 2.235 326 A HA -0.060 4.287 4.320 0.046 0.000 0.208 326 A C 1.770 179.309 177.584 -0.075 0.000 1.172 326 A CA 0.222 52.219 52.037 -0.066 0.000 0.786 326 A CB -0.889 18.067 19.000 -0.073 0.000 0.804 326 A HN 0.536 nan 8.150 nan 0.000 0.479 327 F N 0.700 120.509 119.950 -0.236 0.000 2.134 327 F HA -0.210 4.345 4.527 0.047 0.000 0.299 327 F C 1.884 177.577 175.800 -0.180 0.000 1.097 327 F CA 1.627 59.462 58.000 -0.275 0.000 1.264 327 F CB 0.007 38.776 39.000 -0.384 0.000 1.001 327 F HN 0.182 nan 8.300 nan 0.000 0.479 328 I N 1.850 122.395 120.570 -0.042 0.000 2.099 328 I HA -0.219 3.978 4.170 0.046 0.000 0.239 328 I C -0.303 175.779 176.117 -0.058 0.000 1.066 328 I CA 1.883 63.163 61.300 -0.033 0.000 1.324 328 I CB -2.949 35.159 38.000 0.180 0.000 1.037 328 I HN 0.139 nan 8.210 nan 0.000 0.401 329 P HA -0.095 nan 4.420 nan 0.000 0.217 329 P C 2.154 179.389 177.300 -0.108 0.000 1.151 329 P CA 1.443 64.517 63.100 -0.044 0.000 0.828 329 P CB 0.038 31.578 31.700 -0.268 0.000 0.788 330 L N -1.618 119.498 121.223 -0.179 0.000 2.307 330 L HA 0.070 4.437 4.340 0.046 0.000 0.211 330 L C 2.653 179.382 176.870 -0.235 0.000 1.099 330 L CA 0.842 55.578 54.840 -0.174 0.000 0.816 330 L CB -0.294 41.671 42.059 -0.157 0.000 0.952 330 L HN -0.117 nan 8.230 nan 0.000 0.455 331 R N -1.173 119.059 120.500 -0.446 0.000 2.243 331 R HA 0.160 4.527 4.340 0.046 0.000 0.193 331 R C 2.076 178.109 176.300 -0.445 0.000 0.933 331 R CA 0.548 56.295 56.100 -0.587 0.000 1.105 331 R CB -0.410 29.170 30.300 -1.199 0.000 1.169 331 R HN 0.059 nan 8.270 nan 0.000 0.599 332 V N 1.942 121.546 119.914 -0.517 0.000 2.323 332 V HA -0.096 4.051 4.120 0.046 0.000 0.244 332 V C 2.462 178.619 176.094 0.105 0.000 1.041 332 V CA 1.431 63.658 62.300 -0.122 0.000 1.025 332 V CB -0.408 31.345 31.823 -0.117 0.000 0.656 332 V HN 0.092 nan 8.190 nan 0.000 0.451 333 I N 0.245 120.840 120.570 0.042 0.000 2.127 333 I HA -0.169 4.028 4.170 0.046 0.000 0.241 333 I C -0.149 176.026 176.117 0.098 0.000 1.075 333 I CA 1.884 63.238 61.300 0.091 0.000 1.334 333 I CB -1.353 36.708 38.000 0.102 0.000 1.040 333 I HN 0.352 nan 8.210 nan 0.000 0.405 334 P HA -0.207 nan 4.420 nan 0.000 0.216 334 P C 1.673 179.058 177.300 0.142 0.000 1.150 334 P CA 1.377 64.527 63.100 0.083 0.000 0.837 334 P CB -0.122 31.611 31.700 0.055 0.000 0.786 335 F N 0.258 120.253 119.950 0.076 0.000 2.095 335 F HA -0.182 4.373 4.527 0.047 0.000 0.298 335 F C 1.885 177.735 175.800 0.083 0.000 1.104 335 F CA 1.576 59.654 58.000 0.131 0.000 1.232 335 F CB -0.843 38.331 39.000 0.290 0.000 0.987 335 F HN -0.250 nan 8.300 nan 0.000 0.475 336 L N -0.150 121.166 121.223 0.155 0.000 2.093 336 L HA -0.155 4.212 4.340 0.046 0.000 0.208 336 L C 2.715 179.557 176.870 -0.047 0.000 1.085 336 L CA 0.728 55.580 54.840 0.019 0.000 0.755 336 L CB -0.651 41.486 42.059 0.130 0.000 0.904 336 L HN 0.027 nan 8.230 nan 0.000 0.435 337 R N 0.597 121.093 120.500 -0.006 0.000 2.096 337 R HA -0.200 4.167 4.340 0.046 0.000 0.240 337 R C 2.032 178.297 176.300 -0.058 0.000 1.139 337 R CA 1.532 57.621 56.100 -0.019 0.000 0.952 337 R CB -0.637 29.666 30.300 0.006 0.000 0.854 337 R HN 0.504 nan 8.270 nan 0.000 0.436 338 E N 0.446 120.594 120.200 -0.086 0.000 2.153 338 E HA -0.127 4.250 4.350 0.046 0.000 0.194 338 E C 1.523 178.024 176.600 -0.166 0.000 0.988 338 E CA 0.824 57.157 56.400 -0.112 0.000 0.811 338 E CB 0.095 29.732 29.700 -0.105 0.000 0.746 338 E HN 0.100 nan 8.360 nan 0.000 0.466 339 K N -0.595 119.656 120.400 -0.248 0.000 2.487 339 K HA 0.055 4.403 4.320 0.046 0.000 0.192 339 K C 1.046 177.571 176.600 -0.124 0.000 1.027 339 K CA 0.769 56.917 56.287 -0.231 0.000 1.054 339 K CB 0.913 33.205 32.500 -0.347 0.000 0.824 339 K HN 0.298 nan 8.250 nan 0.000 0.510 340 G N 0.652 109.399 108.800 -0.090 0.000 2.179 340 G HA2 -0.224 3.764 3.960 0.046 0.000 0.220 340 G HA3 -0.224 3.764 3.960 0.046 0.000 0.220 340 G C 0.094 174.972 174.900 -0.037 0.000 0.990 340 G CA -0.057 45.011 45.100 -0.054 0.000 0.646 340 G HN 0.098 nan 8.290 nan 0.000 0.517 341 V N 2.589 122.482 119.914 -0.035 0.000 2.508 341 V HA 0.373 4.520 4.120 0.046 0.000 0.281 341 V C -1.311 174.778 176.094 -0.008 0.000 1.041 341 V CA -1.059 61.233 62.300 -0.014 0.000 1.016 341 V CB 1.073 32.896 31.823 0.001 0.000 0.984 341 V HN 0.159 nan 8.190 nan 0.000 0.478 342 P HA 0.113 nan 4.420 nan 0.000 0.271 342 P C 0.466 177.768 177.300 0.003 0.000 1.218 342 P CA -0.224 62.874 63.100 -0.003 0.000 0.780 342 P CB 0.679 32.376 31.700 -0.005 0.000 0.901 343 Q N 2.399 122.204 119.800 0.007 0.000 2.135 343 Q HA -0.250 4.117 4.340 0.046 0.000 0.204 343 Q C 1.848 177.855 176.000 0.011 0.000 0.981 343 Q CA 1.988 57.800 55.803 0.015 0.000 0.856 343 Q CB -0.693 28.056 28.738 0.019 0.000 0.902 343 Q HN 0.589 nan 8.270 nan 0.000 0.425 344 E N -1.508 118.695 120.200 0.005 0.000 2.153 344 E HA -0.158 4.220 4.350 0.046 0.000 0.194 344 E C 1.403 178.000 176.600 -0.006 0.000 0.988 344 E CA 1.524 57.925 56.400 0.000 0.000 0.811 344 E CB 0.017 29.716 29.700 -0.002 0.000 0.746 344 E HN 0.440 nan 8.360 nan 0.000 0.466 345 T N 1.262 115.813 114.554 -0.006 0.000 2.746 345 T HA -0.113 4.265 4.350 0.046 0.000 0.267 345 T C 1.840 176.531 174.700 -0.014 0.000 1.039 345 T CA 1.110 63.204 62.100 -0.009 0.000 1.142 345 T CB -0.135 68.729 68.868 -0.005 0.000 0.866 345 T HN 0.171 nan 8.240 nan 0.000 0.444 346 L N 0.757 121.976 121.223 -0.006 0.000 2.093 346 L HA -0.025 4.343 4.340 0.046 0.000 0.208 346 L C 3.034 179.875 176.870 -0.049 0.000 1.085 346 L CA 1.037 55.869 54.840 -0.013 0.000 0.755 346 L CB -0.676 41.394 42.059 0.019 0.000 0.904 346 L HN 0.232 nan 8.230 nan 0.000 0.435 347 A N 0.486 123.288 122.820 -0.030 0.000 1.930 347 A HA -0.094 4.254 4.320 0.046 0.000 0.217 347 A C 2.431 179.975 177.584 -0.067 0.000 1.175 347 A CA 1.592 53.603 52.037 -0.044 0.000 0.627 347 A CB -1.192 17.806 19.000 -0.004 0.000 0.815 347 A HN 0.423 nan 8.150 nan 0.000 0.443 348 G N 0.112 108.885 108.800 -0.046 0.000 2.440 348 G HA2 -0.211 3.776 3.960 0.046 0.000 0.218 348 G HA3 -0.211 3.776 3.960 0.046 0.000 0.218 348 G C 1.515 176.375 174.900 -0.066 0.000 1.154 348 G CA 1.200 46.273 45.100 -0.045 0.000 0.767 348 G HN 0.485 nan 8.290 nan 0.000 0.552 349 I N 1.271 121.794 120.570 -0.078 0.000 2.252 349 I HA -0.122 4.075 4.170 0.046 0.000 0.245 349 I C 3.016 179.037 176.117 -0.161 0.000 1.102 349 I CA 1.742 62.986 61.300 -0.093 0.000 1.385 349 I CB -0.203 37.756 38.000 -0.068 0.000 1.064 349 I HN 0.330 nan 8.210 nan 0.000 0.414 350 T N -3.154 111.240 114.554 -0.266 0.000 3.057 350 T HA 0.153 4.531 4.350 0.046 0.000 0.254 350 T C 1.370 175.814 174.700 -0.428 0.000 1.094 350 T CA 0.324 62.111 62.100 -0.521 0.000 1.088 350 T CB 0.216 68.427 68.868 -1.095 0.000 0.934 350 T HN 0.107 nan 8.240 nan 0.000 0.497 351 V N 0.706 120.487 119.914 -0.223 0.000 3.054 351 V HA 0.070 4.217 4.120 0.046 0.000 0.227 351 V C 2.747 178.811 176.094 -0.051 0.000 1.252 351 V CA 1.034 63.273 62.300 -0.102 0.000 1.279 351 V CB -0.302 31.493 31.823 -0.047 0.000 1.118 351 V HN 0.348 nan 8.190 nan 0.000 0.504 352 T N 1.087 115.613 114.554 -0.047 0.000 2.737 352 T HA -0.120 4.258 4.350 0.046 0.000 0.265 352 T C 1.788 176.481 174.700 -0.013 0.000 1.038 352 T CA 1.777 63.864 62.100 -0.022 0.000 1.144 352 T CB -0.298 68.558 68.868 -0.021 0.000 0.866 352 T HN 0.320 nan 8.240 nan 0.000 0.434 353 N N 1.471 120.155 118.700 -0.027 0.000 2.084 353 N HA -0.032 4.735 4.740 0.046 0.000 0.190 353 N C -0.991 174.536 175.510 0.028 0.000 1.030 353 N CA 1.110 54.153 53.050 -0.011 0.000 0.849 353 N CB -1.515 36.946 38.487 -0.043 0.000 1.012 353 N HN 0.321 nan 8.380 nan 0.000 0.423 354 P HA -0.038 nan 4.420 nan 0.000 0.216 354 P C 1.045 178.408 177.300 0.104 0.000 1.150 354 P CA 1.493 64.642 63.100 0.082 0.000 0.837 354 P CB -0.050 31.672 31.700 0.037 0.000 0.786 355 A N -0.124 122.725 122.820 0.047 0.000 1.898 355 A HA -0.202 4.145 4.320 0.046 0.000 0.216 355 A C 2.419 180.020 177.584 0.028 0.000 1.181 355 A CA 1.577 53.630 52.037 0.026 0.000 0.620 355 A CB -1.181 17.823 19.000 0.007 0.000 0.819 355 A HN 0.029 nan 8.150 nan 0.000 0.442 356 R N -1.862 118.664 120.500 0.044 0.000 2.096 356 R HA -0.136 4.231 4.340 0.046 0.000 0.235 356 R C 1.904 178.254 176.300 0.083 0.000 1.127 356 R CA 1.690 57.816 56.100 0.044 0.000 0.968 356 R CB -0.385 29.939 30.300 0.040 0.000 0.861 356 R HN 0.492 nan 8.270 nan 0.000 0.440 357 F N 0.878 120.801 119.950 -0.044 0.000 2.113 357 F HA -0.069 4.485 4.527 0.044 0.000 0.297 357 F C 1.659 177.427 175.800 -0.054 0.000 1.103 357 F CA 1.371 59.342 58.000 -0.049 0.000 1.248 357 F CB -0.191 38.783 39.000 -0.043 0.000 0.999 357 F HN -0.035 nan 8.300 nan 0.000 0.475 358 L N -0.801 120.363 121.223 -0.098 0.000 2.179 358 L HA -0.019 4.349 4.340 0.046 0.000 0.208 358 L C 1.350 178.111 176.870 -0.180 0.000 1.096 358 L CA 0.524 55.235 54.840 -0.216 0.000 0.779 358 L CB -0.683 41.328 42.059 -0.080 0.000 0.922 358 L HN -0.002 nan 8.230 nan 0.000 0.443 359 S N 0.753 116.387 115.700 -0.110 0.000 2.515 359 S HA 0.130 4.627 4.470 0.046 0.000 0.285 359 S C -2.185 172.347 174.600 -0.113 0.000 1.265 359 S CA -1.339 56.804 58.200 -0.095 0.000 1.079 359 S CB 0.345 63.508 63.200 -0.061 0.000 0.877 359 S HN -0.112 nan 8.310 nan 0.000 0.493 360 P HA 0.224 nan 4.420 nan 0.000 0.265 360 P C -0.479 176.766 177.300 -0.092 0.000 1.193 360 P CA 0.186 63.217 63.100 -0.115 0.000 0.765 360 P CB 0.911 32.553 31.700 -0.097 0.000 0.823 361 T N 1.712 116.208 114.554 -0.098 0.000 2.770 361 T HA 0.235 4.613 4.350 0.046 0.000 0.323 361 T C 0.289 174.941 174.700 -0.081 0.000 1.683 361 T CA -0.593 61.461 62.100 -0.077 0.000 1.024 361 T CB 0.280 69.109 68.868 -0.066 0.000 1.557 361 T HN 0.078 nan 8.240 nan 0.000 0.494 362 L N 1.203 122.388 121.223 -0.064 0.000 2.529 362 L HA 0.466 4.833 4.340 0.046 0.000 0.223 362 L C 1.226 178.060 176.870 -0.061 0.000 1.113 362 L CA 0.224 55.027 54.840 -0.062 0.000 0.861 362 L CB 0.048 42.079 42.059 -0.047 0.000 1.012 362 L HN 0.413 nan 8.230 nan 0.000 0.461 363 R N 0.575 121.041 120.500 -0.056 0.000 2.659 363 R HA 0.525 4.893 4.340 0.046 0.000 0.290 363 R C -1.178 175.096 176.300 -0.043 0.000 1.253 363 R CA -0.142 55.928 56.100 -0.051 0.000 1.010 363 R CB 1.371 31.646 30.300 -0.042 0.000 1.236 363 R HN 0.003 nan 8.270 nan 0.000 0.413 364 A N 0.000 122.796 122.820 -0.040 0.000 2.254 364 A HA 0.000 4.347 4.320 0.046 0.000 0.244 364 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 364 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486